NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
1067 | 1a2i | 4291 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 -2.059 4.804 23.885 2 2H ALA 1 2H ALA 1 -3.289 5.632 23.147 3 HA ALA 1 HA ALA 1 -0.970 5.220 22.063 4 1HB ALA 1 3HB ALA 1 -1.847 2.681 22.208 5 2HB ALA 1 1HB ALA 1 -2.584 3.132 20.652 6 3HB ALA 1 2HB ALA 1 -0.822 3.260 20.873 7 HA PRO 2 HA PRO 2 -2.991 7.589 19.058 8 1HB PRO 2 1HB PRO 2 -1.538 7.220 16.773 9 2HB PRO 2 2HB PRO 2 -1.021 8.269 18.079 10 1HG PRO 2 1HG PRO 2 -0.017 5.586 17.349 11 2HG PRO 2 2HG PRO 2 0.743 6.808 18.348 12 1HD PRO 2 1HD PRO 2 -0.582 4.431 19.254 13 2HD PRO 2 2HD PRO 2 0.076 5.710 20.255 14 H LYS 3 H LYS 3 -2.966 4.257 18.697 15 HA LYS 3 HA LYS 3 -4.171 2.847 17.476 16 1HB LYS 3 1HB LYS 3 -5.859 4.593 18.872 17 2HB LYS 3 2HB LYS 3 -6.581 4.469 17.281 18 1HG LYS 3 1HG LYS 3 -6.423 1.950 17.447 19 2HG LYS 3 2HG LYS 3 -5.798 2.122 19.075 20 1HD LYS 3 1HD LYS 3 -8.271 3.678 18.686 21 2HD LYS 3 2HD LYS 3 -8.512 1.978 18.335 22 1HE LYS 3 1HE LYS 3 -7.767 1.309 20.533 23 2HE LYS 3 2HE LYS 3 -7.095 2.891 20.872 24 1HZ LYS 3 1HZ LYS 3 -9.084 3.316 21.813 25 2HZ LYS 3 2HZ LYS 3 -9.725 3.403 20.318 26 H ALA 4 H ALA 4 -6.079 2.976 15.496 27 HA ALA 4 HA ALA 4 -4.476 3.849 13.296 28 1HB ALA 4 3HB ALA 4 -6.881 2.199 13.793 29 2HB ALA 4 1HB ALA 4 -6.909 3.095 12.255 30 3HB ALA 4 2HB ALA 4 -5.568 1.981 12.612 31 HA PRO 5 HA PRO 5 -6.317 7.726 12.751 32 1HB PRO 5 1HB PRO 5 -5.781 8.195 10.113 33 2HB PRO 5 2HB PRO 5 -4.601 8.429 11.387 34 1HG PRO 5 1HG PRO 5 -4.777 6.244 9.403 35 2HG PRO 5 2HG PRO 5 -3.409 6.727 10.385 36 1HD PRO 5 1HD PRO 5 -5.118 4.465 10.818 37 2HD PRO 5 2HD PRO 5 -3.822 5.015 11.862 38 H ALA 6 H ALA 6 -7.873 9.066 11.342 39 HA ALA 6 HA ALA 6 -10.277 7.654 11.335 40 1HB ALA 6 1HB ALA 6 -9.405 10.303 11.089 41 2HB ALA 6 2HB ALA 6 -10.215 9.965 9.541 42 3HB ALA 6 3HB ALA 6 -11.093 9.738 11.073 43 H ASP 7 H ASP 7 -11.696 7.850 9.112 44 HA ASP 7 HA ASP 7 -10.250 6.109 7.329 45 1HB ASP 7 1HB ASP 7 -12.467 5.640 6.355 46 2HB ASP 7 2HB ASP 7 -12.514 5.454 8.097 47 H GLY 8 H GLY 8 -10.864 6.482 4.845 48 1HA GLY 8 1HA GLY 8 -11.121 7.852 3.041 49 2HA GLY 8 2HA GLY 8 -11.423 9.216 4.099 50 H LEU 9 H LEU 9 -8.601 7.200 4.759 51 HA LEU 9 HA LEU 9 -6.889 9.443 4.333 52 1HB LEU 9 1HB LEU 9 -6.379 8.129 6.184 53 2HB LEU 9 2HB LEU 9 -6.552 6.625 5.301 54 HG LEU 9 HG LEU 9 -4.183 7.667 5.982 55 1HD1 LEU 9 1HD1 LEU 9 -4.855 5.465 4.795 56 2HD1 LEU 9 2HD1 LEU 9 -4.387 6.315 3.303 57 3HD1 LEU 9 3HD1 LEU 9 -3.196 6.081 4.605 58 1HD2 LEU 9 2HD2 LEU 9 -4.890 9.628 4.315 59 2HD2 LEU 9 3HD2 LEU 9 -3.202 9.099 4.518 60 3HD2 LEU 9 1HD2 LEU 9 -4.155 8.521 3.131 61 H LYS 10 H LYS 10 -6.591 10.080 2.239 62 HA LYS 10 HA LYS 10 -5.874 7.952 0.346 63 1HB LYS 10 1HB LYS 10 -7.217 8.877 -1.181 64 2HB LYS 10 2HB LYS 10 -7.939 9.758 0.149 65 1HG LYS 10 1HG LYS 10 -5.977 11.485 -0.252 66 2HG LYS 10 2HG LYS 10 -5.830 10.706 -1.815 67 1HD LYS 10 1HD LYS 10 -8.507 11.070 -1.836 68 2HD LYS 10 2HD LYS 10 -8.099 12.359 -0.720 69 1HE LYS 10 1HE LYS 10 -6.839 12.002 -3.483 70 2HE LYS 10 2HE LYS 10 -8.149 13.110 -3.126 71 1HZ LYS 10 1HZ LYS 10 -6.299 13.751 -1.246 72 2HZ LYS 10 2HZ LYS 10 -5.348 13.390 -2.518 73 H MET 11 H MET 11 -4.139 8.433 -1.188 74 HA MET 11 HA MET 11 -2.401 10.561 -0.215 75 1HB MET 11 1HB MET 11 -0.469 8.956 -0.715 76 2HB MET 11 2HB MET 11 -1.479 8.456 0.627 77 1HG MET 11 1HG MET 11 -2.625 7.389 -1.809 78 2HG MET 11 2HG MET 11 -0.914 7.014 -1.801 79 1HE MET 11 3HE MET 11 0.323 5.761 -0.105 80 2HE MET 11 1HE MET 11 -0.435 4.368 0.703 81 3HE MET 11 2HE MET 11 -0.529 4.528 -1.067 82 H GLU 12 H GLU 12 -2.134 12.032 -1.834 83 HA GLU 12 HA GLU 12 -2.222 10.983 -4.550 84 1HB GLU 12 1HB GLU 12 -3.949 12.715 -3.825 85 2HB GLU 12 2HB GLU 12 -2.639 13.868 -3.660 86 1HG GLU 12 1HG GLU 12 -2.905 12.335 -6.255 87 2HG GLU 12 2HG GLU 12 -4.005 13.665 -5.947 88 H ALA 13 H ALA 13 0.123 10.320 -3.972 89 HA ALA 13 HA ALA 13 1.942 12.601 -4.078 90 1HB ALA 13 1HB ALA 13 2.312 9.642 -3.477 91 2HB ALA 13 2HB ALA 13 3.652 10.810 -3.578 92 3HB ALA 13 3HB ALA 13 2.398 11.000 -2.329 93 H THR 14 H THR 14 0.293 10.436 -6.130 94 HA THR 14 HA THR 14 2.256 10.970 -8.250 95 HB THR 14 HB THR 14 2.152 8.684 -8.978 96 HG1 THR 14 HG1 THR 14 -0.043 8.603 -7.028 97 1HG2 THR 14 1HG2 THR 14 3.411 8.895 -6.775 98 2HG2 THR 14 2HG2 THR 14 1.897 8.488 -5.932 99 3HG2 THR 14 3HG2 THR 14 2.663 7.298 -7.013 100 H LYS 15 H LYS 15 1.115 10.321 -10.477 101 HA LYS 15 HA LYS 15 -0.992 12.163 -10.720 102 1HB LYS 15 1HB LYS 15 0.721 11.540 -12.467 103 2HB LYS 15 2HB LYS 15 -0.147 10.038 -12.708 104 1HG LYS 15 1HG LYS 15 -1.927 11.066 -13.764 105 2HG LYS 15 2HG LYS 15 -1.846 12.494 -12.752 106 1HD LYS 15 1HD LYS 15 0.490 12.830 -14.082 107 2HD LYS 15 2HD LYS 15 -0.347 11.871 -15.286 108 1HE LYS 15 1HE LYS 15 -1.944 13.517 -15.703 109 2HE LYS 15 2HE LYS 15 -1.901 14.133 -14.063 110 1HZ LYS 15 1HZ LYS 15 -0.160 15.506 -14.561 111 2HZ LYS 15 2HZ LYS 15 0.550 14.474 -15.602 112 H GLN 16 H GLN 16 -0.907 8.974 -9.505 113 HA GLN 16 HA GLN 16 -3.776 8.772 -9.993 114 1HB GLN 16 1HB GLN 16 -1.882 6.405 -9.690 115 2HB GLN 16 2HB GLN 16 -3.581 6.346 -10.116 116 1HG GLN 16 1HG GLN 16 -1.942 8.087 -11.891 117 2HG GLN 16 2HG GLN 16 -1.494 6.393 -11.938 118 1HE2 GLN 16 2HE2 GLN 16 -4.794 5.267 -12.988 119 2HE2 GLN 16 1HE2 GLN 16 -3.582 4.920 -11.800 120 HA PRO 17 HA PRO 17 -3.395 8.945 -5.572 121 1HB PRO 17 1HB PRO 17 -5.873 9.989 -5.089 122 2HB PRO 17 2HB PRO 17 -4.457 10.979 -5.380 123 1HG PRO 17 1HG PRO 17 -6.716 10.397 -7.195 124 2HG PRO 17 2HG PRO 17 -5.534 11.687 -7.292 125 1HD PRO 17 1HD PRO 17 -5.593 9.291 -8.868 126 2HD PRO 17 2HD PRO 17 -4.348 10.524 -8.883 127 H VAL 18 H VAL 18 -4.462 7.952 -3.688 128 HA VAL 18 HA VAL 18 -6.371 5.913 -4.504 129 HB VAL 18 HB VAL 18 -3.700 5.359 -3.201 130 1HG1 VAL 18 1HG1 VAL 18 -6.141 3.590 -3.517 131 2HG1 VAL 18 2HG1 VAL 18 -4.505 2.956 -3.214 132 3HG1 VAL 18 3HG1 VAL 18 -5.282 4.023 -2.019 133 1HG2 VAL 18 1HG2 VAL 18 -4.836 4.958 -5.917 134 2HG2 VAL 18 2HG2 VAL 18 -3.152 5.213 -5.399 135 3HG2 VAL 18 3HG2 VAL 18 -3.895 3.603 -5.247 136 H VAL 19 H VAL 19 -7.566 5.022 -2.666 137 HA VAL 19 HA VAL 19 -7.328 6.739 -0.292 138 HB VAL 19 HB VAL 19 -9.759 5.752 -1.778 139 1HG1 VAL 19 3HG1 VAL 19 -9.535 6.786 1.056 140 2HG1 VAL 19 1HG1 VAL 19 -11.041 6.907 0.115 141 3HG1 VAL 19 2HG1 VAL 19 -10.338 5.310 0.468 142 1HG2 VAL 19 1HG2 VAL 19 -8.519 7.942 -2.369 143 2HG2 VAL 19 2HG2 VAL 19 -10.282 8.008 -2.132 144 3HG2 VAL 19 3HG2 VAL 19 -9.189 8.564 -0.842 145 H PHE 20 H PHE 20 -6.597 5.578 1.407 146 HA PHE 20 HA PHE 20 -7.135 2.701 1.404 147 1HB PHE 20 1HB PHE 20 -4.786 3.760 1.609 148 2HB PHE 20 2HB PHE 20 -5.315 4.531 3.091 149 HD1 PHE 20 HD1 PHE 20 -5.017 1.127 1.547 150 HD2 PHE 20 HD2 PHE 20 -4.937 3.462 5.131 151 HE1 PHE 20 HE1 PHE 20 -4.303 -0.921 2.875 152 HE2 PHE 20 HE2 PHE 20 -4.224 1.407 6.446 153 HZ PHE 20 HZ PHE 20 -3.945 -0.678 5.379 154 H ASN 21 H ASN 21 -7.525 1.699 3.625 155 HA ASN 21 HA ASN 21 -8.903 3.519 5.396 156 1HB ASN 21 1HB ASN 21 -10.138 1.020 4.133 157 2HB ASN 21 2HB ASN 21 -10.803 1.774 5.568 158 1HD2 ASN 21 2HD2 ASN 21 -11.102 3.529 1.842 159 2HD2 ASN 21 1HD2 ASN 21 -9.985 2.249 2.179 160 H HIS 22 H HIS 22 -8.716 2.816 7.597 161 HA HIS 22 HA HIS 22 -7.000 0.502 7.956 162 1HB HIS 22 1HB HIS 22 -7.680 2.925 9.593 163 2HB HIS 22 2HB HIS 22 -7.060 1.496 10.394 164 HD1 HIS 22 HD1 HIS 22 -6.053 4.257 8.046 165 HD2 HIS 22 HD2 HIS 22 -4.338 0.891 9.870 166 HE1 HIS 22 HE1 HIS 22 -3.533 4.464 7.703 167 H SER 23 H SER 23 -10.321 1.505 8.205 168 HA SER 23 HA SER 23 -10.998 -0.325 10.259 169 1HB SER 23 1HB SER 23 -12.450 1.530 10.093 170 2HB SER 23 2HB SER 23 -12.533 1.442 8.345 171 HG SER 23 HG SER 23 -14.255 0.394 10.115 172 H THR 24 H THR 24 -9.953 -0.777 7.120 173 HA THR 24 HA THR 24 -11.729 -3.075 6.661 174 HB THR 24 HB THR 24 -9.954 -1.390 4.821 175 HG1 THR 24 HG1 THR 24 -12.811 -1.970 5.178 176 1HG2 THR 24 1HG2 THR 24 -10.766 -4.109 4.463 177 2HG2 THR 24 2HG2 THR 24 -11.897 -3.123 3.506 178 3HG2 THR 24 3HG2 THR 24 -10.145 -3.003 3.215 179 H HIS 25 H HIS 25 -8.354 -2.034 7.149 180 HA HIS 25 HA HIS 25 -7.539 -4.819 6.877 181 1HB HIS 25 1HB HIS 25 -5.869 -2.300 7.119 182 2HB HIS 25 2HB HIS 25 -5.246 -3.920 6.876 183 HD1 HIS 25 HD1 HIS 25 -7.368 -1.301 5.089 184 HD2 HIS 25 HD2 HIS 25 -5.146 -4.757 4.242 185 HE1 HIS 25 HE1 HIS 25 -7.268 -1.481 2.546 186 H LYS 26 H LYS 26 -9.228 -4.031 9.099 187 HA LYS 26 HA LYS 26 -7.645 -3.511 11.378 188 1HB LYS 26 1HB LYS 26 -10.408 -4.748 11.219 189 2HB LYS 26 2HB LYS 26 -9.677 -3.995 12.622 190 1HG LYS 26 1HG LYS 26 -9.542 -1.823 11.398 191 2HG LYS 26 2HG LYS 26 -10.247 -2.571 9.979 192 1HD LYS 26 1HD LYS 26 -12.229 -1.829 10.858 193 2HD LYS 26 2HD LYS 26 -12.124 -3.271 11.848 194 1HE LYS 26 1HE LYS 26 -10.542 -1.444 13.260 195 2HE LYS 26 2HE LYS 26 -11.826 -0.431 12.629 196 1HZ LYS 26 1HZ LYS 26 -13.450 -1.753 13.708 197 2HZ LYS 26 2HZ LYS 26 -12.427 -2.987 13.998 198 H SER 27 H SER 27 -8.689 -6.458 9.647 199 HA SER 27 HA SER 27 -7.826 -8.163 11.735 200 1HB SER 27 1HB SER 27 -8.379 -9.969 10.227 201 2HB SER 27 2HB SER 27 -9.609 -8.734 10.041 202 HG SER 27 HG SER 27 -9.135 -8.856 7.956 203 H VAL 28 H VAL 28 -6.230 -6.269 9.380 204 HA VAL 28 HA VAL 28 -4.037 -8.129 9.008 205 HB VAL 28 HB VAL 28 -4.374 -5.280 8.056 206 1HG1 VAL 28 3HG1 VAL 28 -2.449 -7.508 7.384 207 2HG1 VAL 28 1HG1 VAL 28 -2.786 -6.193 6.234 208 3HG1 VAL 28 2HG1 VAL 28 -2.103 -5.821 7.835 209 1HG2 VAL 28 2HG2 VAL 28 -5.827 -7.620 7.284 210 2HG2 VAL 28 3HG2 VAL 28 -5.903 -5.981 6.594 211 3HG2 VAL 28 1HG2 VAL 28 -4.743 -7.167 5.946 212 H LYS 29 H LYS 29 -1.941 -7.847 9.853 213 HA LYS 29 HA LYS 29 -1.884 -6.486 12.357 214 1HB LYS 29 1HB LYS 29 -0.380 -8.532 10.988 215 2HB LYS 29 2HB LYS 29 0.720 -7.319 11.612 216 1HG LYS 29 1HG LYS 29 -1.419 -7.988 13.536 217 2HG LYS 29 2HG LYS 29 -0.464 -9.388 13.090 218 1HD LYS 29 1HD LYS 29 0.947 -8.630 14.735 219 2HD LYS 29 2HD LYS 29 1.553 -7.587 13.464 220 1HE LYS 29 1HE LYS 29 -0.270 -5.888 14.205 221 2HE LYS 29 2HE LYS 29 -0.476 -6.890 15.627 222 1HZ LYS 29 1HZ LYS 29 2.221 -6.561 15.497 223 2HZ LYS 29 2HZ LYS 29 1.689 -5.108 14.992 224 H CYS 30 H CYS 30 -0.885 -4.562 12.918 225 HA CYS 30 HA CYS 30 -0.664 -2.632 10.944 226 1HB CYS 30 1HB CYS 30 0.753 -2.434 13.589 227 2HB CYS 30 2HB CYS 30 0.027 -1.159 12.631 228 H GLY 31 H GLY 31 1.648 -4.943 12.381 229 1HA GLY 31 1HA GLY 31 3.999 -3.691 11.326 230 2HA GLY 31 2HA GLY 31 3.862 -5.282 12.048 231 H ASP 32 H ASP 32 1.401 -5.279 9.827 232 HA ASP 32 HA ASP 32 2.933 -6.862 8.042 233 1HB ASP 32 1HB ASP 32 0.532 -7.318 8.707 234 2HB ASP 32 2HB ASP 32 0.047 -5.885 7.822 235 H CYS 33 H CYS 33 1.500 -3.586 8.192 236 HA CYS 33 HA CYS 33 2.346 -3.108 5.436 237 1HB CYS 33 1HB CYS 33 0.194 -1.967 7.161 238 2HB CYS 33 2HB CYS 33 0.973 -0.873 6.034 239 H HIS 34 H HIS 34 2.279 -1.597 8.751 240 HA HIS 34 HA HIS 34 4.336 0.239 8.036 241 1HB HIS 34 1HB HIS 34 3.101 -0.443 10.719 242 2HB HIS 34 2HB HIS 34 4.205 0.887 10.428 243 HD1 HIS 34 HD1 HIS 34 3.305 2.881 8.890 244 HD2 HIS 34 HD2 HIS 34 0.443 0.031 10.023 245 HE1 HIS 34 HE1 HIS 34 1.027 3.932 8.426 246 H HIS 35 H HIS 35 5.518 -1.967 7.254 247 HA HIS 35 HA HIS 35 6.668 -3.716 8.923 248 1HB HIS 35 1HB HIS 35 8.465 -3.927 7.314 249 2HB HIS 35 2HB HIS 35 6.931 -3.717 6.492 250 HD1 HIS 35 HD1 HIS 35 9.961 -1.606 7.516 251 HD2 HIS 35 HD2 HIS 35 6.924 -1.709 4.623 252 HE1 HIS 35 HE1 HIS 35 10.486 0.264 5.861 253 HA PRO 36 HA PRO 36 9.285 -1.519 11.575 254 1HB PRO 36 1HB PRO 36 11.011 -3.484 12.365 255 2HB PRO 36 2HB PRO 36 9.406 -3.290 13.041 256 1HG PRO 36 1HG PRO 36 10.372 -5.311 11.111 257 2HG PRO 36 2HG PRO 36 8.932 -5.346 12.108 258 1HD PRO 36 1HD PRO 36 9.062 -4.773 9.301 259 2HD PRO 36 2HD PRO 36 7.640 -4.695 10.322 260 H VAL 37 H VAL 37 10.926 -0.084 11.492 261 HA VAL 37 HA VAL 37 13.001 -0.799 9.539 262 HB VAL 37 HB VAL 37 11.586 1.839 9.949 263 1HG1 VAL 37 3HG1 VAL 37 13.993 2.225 9.672 264 2HG1 VAL 37 1HG1 VAL 37 13.992 1.225 8.199 265 3HG1 VAL 37 2HG1 VAL 37 13.089 2.759 8.234 266 1HG2 VAL 37 1HG2 VAL 37 10.431 0.130 8.542 267 2HG2 VAL 37 2HG2 VAL 37 10.882 1.603 7.650 268 3HG2 VAL 37 3HG2 VAL 37 11.845 0.119 7.462 269 H ASN 38 H ASN 38 14.899 -1.074 10.582 270 HA ASN 38 HA ASN 38 16.649 -0.471 11.777 271 1HB ASN 38 1HB ASN 38 15.350 1.945 11.833 272 2HB ASN 38 2HB ASN 38 15.244 1.528 13.532 273 1HD2 ASN 38 2HD2 ASN 38 18.512 3.267 12.246 274 2HD2 ASN 38 1HD2 ASN 38 16.896 3.380 11.633 275 H GLY 39 H GLY 39 13.659 -1.638 12.692 276 1HA GLY 39 1HA GLY 39 13.435 -3.359 14.272 277 2HA GLY 39 2HA GLY 39 14.694 -2.637 15.254 278 H LYS 40 H LYS 40 12.844 -0.063 14.142 279 HA LYS 40 HA LYS 40 11.248 -0.112 16.602 280 1HB LYS 40 1HB LYS 40 11.464 2.203 16.738 281 2HB LYS 40 2HB LYS 40 13.050 1.677 16.212 282 1HG LYS 40 1HG LYS 40 11.933 2.020 13.770 283 2HG LYS 40 2HG LYS 40 10.919 3.135 14.664 284 1HD LYS 40 1HD LYS 40 13.434 3.793 15.629 285 2HD LYS 40 2HD LYS 40 13.807 3.338 13.979 286 1HE LYS 40 1HE LYS 40 13.204 5.485 13.467 287 2HE LYS 40 2HE LYS 40 11.561 4.884 13.573 288 1HZ LYS 40 1HZ LYS 40 12.906 6.681 15.340 289 2HZ LYS 40 2HZ LYS 40 11.311 6.373 15.226 290 H GLU 41 H GLU 41 9.020 0.267 16.530 291 HA GLU 41 HA GLU 41 7.948 0.248 13.816 292 1HB GLU 41 1HB GLU 41 7.465 -1.485 16.074 293 2HB GLU 41 2HB GLU 41 5.977 -0.633 15.713 294 1HG GLU 41 1HG GLU 41 6.838 -1.303 13.168 295 2HG GLU 41 2HG GLU 41 7.437 -2.664 14.096 296 H ASP 42 H ASP 42 6.643 1.942 13.215 297 HA ASP 42 HA ASP 42 5.299 3.401 15.301 298 1HB ASP 42 1HB ASP 42 6.233 5.517 14.797 299 2HB ASP 42 2HB ASP 42 7.622 4.450 14.811 300 H TYR 43 H TYR 43 3.650 4.960 14.274 301 HA TYR 43 HA TYR 43 2.716 3.819 11.751 302 1HB TYR 43 1HB TYR 43 1.485 5.738 13.828 303 2HB TYR 43 2HB TYR 43 0.599 4.989 12.515 304 HD1 TYR 43 HD1 TYR 43 2.154 2.239 12.919 305 HD2 TYR 43 HD2 TYR 43 -0.060 4.837 15.498 306 HE1 TYR 43 HE1 TYR 43 1.589 0.272 14.427 307 HE2 TYR 43 HE2 TYR 43 -0.618 2.861 16.997 308 HH TYR 43 HH TYR 43 0.459 0.630 17.507 309 H ARG 44 H ARG 44 3.969 4.883 10.173 310 HA ARG 44 HA ARG 44 3.499 7.755 10.116 311 1HB ARG 44 1HB ARG 44 6.006 6.324 10.123 312 2HB ARG 44 2HB ARG 44 5.826 7.050 8.538 313 1HG ARG 44 1HG ARG 44 5.587 9.267 9.464 314 2HG ARG 44 2HG ARG 44 5.339 8.648 11.084 315 1HD ARG 44 1HD ARG 44 7.767 7.572 10.694 316 2HD ARG 44 2HD ARG 44 7.908 8.851 9.505 317 HE ARG 44 HE ARG 44 7.818 9.174 12.417 318 1HH1 ARG 44 2HH2 ARG 44 7.333 10.802 9.308 319 2HH1 ARG 44 1HH2 ARG 44 7.571 12.389 9.961 320 HH2 ARG 44 HH1 ARG 44 8.040 12.638 12.298 321 H LYS 45 H LYS 45 4.070 8.530 7.635 322 HA LYS 45 HA LYS 45 2.274 6.945 6.009 323 1HB LYS 45 1HB LYS 45 3.556 9.653 5.537 324 2HB LYS 45 2HB LYS 45 2.382 8.893 4.483 325 1HG LYS 45 1HG LYS 45 0.824 9.989 5.744 326 2HG LYS 45 2HG LYS 45 1.083 8.708 6.912 327 1HD LYS 45 1HD LYS 45 2.091 10.119 8.390 328 2HD LYS 45 2HD LYS 45 3.142 10.788 7.158 329 1HE LYS 45 1HE LYS 45 0.856 11.981 6.364 330 2HE LYS 45 2HE LYS 45 0.413 11.722 8.039 331 1HZ LYS 45 1HZ LYS 45 3.055 12.878 7.506 332 2HZ LYS 45 2HZ LYS 45 1.760 13.848 7.319 333 H CYS 46 H CYS 46 2.851 5.717 4.253 334 HA CYS 46 HA CYS 46 5.429 4.767 4.089 335 1HB CYS 46 1HB CYS 46 3.589 4.751 1.716 336 2HB CYS 46 2HB CYS 46 4.740 3.534 2.232 337 H GLY 47 H GLY 47 3.696 7.345 2.235 338 1HA GLY 47 1HA GLY 47 5.997 7.919 0.587 339 2HA GLY 47 2HA GLY 47 4.457 8.755 0.613 340 H THR 48 H THR 48 6.883 8.069 3.234 341 HA THR 48 HA THR 48 6.702 10.864 4.027 342 HB THR 48 HB THR 48 7.715 8.264 5.230 343 HG1 THR 48 HG1 THR 48 5.478 9.040 5.460 344 1HG2 THR 48 2HG2 THR 48 9.422 10.095 5.738 345 2HG2 THR 48 3HG2 THR 48 8.091 11.057 6.425 346 3HG2 THR 48 1HG2 THR 48 8.547 9.507 7.172 347 H ALA 49 H ALA 49 8.208 12.398 3.687 348 HA ALA 49 HA ALA 49 10.143 12.043 1.753 349 1HB ALA 49 1HB ALA 49 9.133 14.114 3.441 350 2HB ALA 49 2HB ALA 49 10.908 14.137 3.569 351 3HB ALA 49 3HB ALA 49 10.129 14.276 1.975 352 H GLY 50 H GLY 50 11.667 10.436 1.916 353 1HA GLY 50 1HA GLY 50 13.962 10.250 2.781 354 2HA GLY 50 2HA GLY 50 13.291 10.423 4.391 355 H CYS 51 H CYS 51 10.875 8.771 2.914 356 HA CYS 51 HA CYS 51 12.073 6.205 3.647 357 1HB CYS 51 1HB CYS 51 9.194 7.150 3.727 358 2HB CYS 51 2HB CYS 51 9.655 5.469 3.908 359 H HIS 52 H HIS 52 9.029 6.710 1.838 360 HA HIS 52 HA HIS 52 10.322 5.439 -0.458 361 1HB HIS 52 1HB HIS 52 7.452 5.419 0.502 362 2HB HIS 52 2HB HIS 52 7.938 4.828 -1.075 363 HD1 HIS 52 HD1 HIS 52 9.925 2.856 -0.931 364 HD2 HIS 52 HD2 HIS 52 7.524 3.501 2.447 365 HE1 HIS 52 HE1 HIS 52 10.138 0.760 0.508 366 H ASP 53 H ASP 53 11.191 7.628 -1.015 367 HA ASP 53 HA ASP 53 9.137 9.065 -2.486 368 1HB ASP 53 1HB ASP 53 9.463 10.553 -0.682 369 2HB ASP 53 2HB ASP 53 11.155 10.134 -0.507 370 H SER 54 H SER 54 10.117 7.699 -4.273 371 HA SER 54 HA SER 54 12.789 8.610 -4.984 372 1HB SER 54 1HB SER 54 12.912 6.583 -6.406 373 2HB SER 54 2HB SER 54 12.590 6.173 -4.733 374 HG SER 54 HG SER 54 10.181 6.509 -5.854 375 H MET 55 H MET 55 9.378 8.398 -5.955 376 HA MET 55 HA MET 55 8.272 9.090 -7.707 377 1HB MET 55 1HB MET 55 10.076 11.222 -6.819 378 2HB MET 55 2HB MET 55 9.782 11.392 -8.538 379 1HG MET 55 1HG MET 55 7.892 12.507 -7.850 380 2HG MET 55 2HG MET 55 7.226 10.894 -7.694 381 1HE MET 55 2HE MET 55 7.721 9.428 -5.601 382 2HE MET 55 3HE MET 55 7.243 10.090 -4.020 383 3HE MET 55 1HE MET 55 6.109 10.153 -5.391 384 H ASP 56 H ASP 56 10.320 7.130 -8.347 385 HA ASP 56 HA ASP 56 11.246 8.092 -10.926 386 1HB ASP 56 1HB ASP 56 12.621 6.756 -8.990 387 2HB ASP 56 2HB ASP 56 12.000 5.378 -9.877 388 H LYS 57 H LYS 57 9.280 5.643 -9.194 389 HA LYS 57 HA LYS 57 7.676 4.281 -9.869 390 1HB LYS 57 1HB LYS 57 6.883 6.210 -11.201 391 2HB LYS 57 2HB LYS 57 7.869 5.685 -12.551 392 1HG LYS 57 1HG LYS 57 6.133 3.545 -11.439 393 2HG LYS 57 2HG LYS 57 5.241 4.905 -12.090 394 1HD LYS 57 1HD LYS 57 5.555 4.012 -14.152 395 2HD LYS 57 2HD LYS 57 7.244 4.458 -14.014 396 1HE LYS 57 1HE LYS 57 7.763 2.250 -14.096 397 2HE LYS 57 2HE LYS 57 7.038 2.073 -12.511 398 1HZ LYS 57 1HZ LYS 57 5.180 2.100 -14.758 399 2HZ LYS 57 2HZ LYS 57 6.127 0.780 -14.642 400 H LYS 58 H LYS 58 9.833 4.628 -12.780 401 HA LYS 58 HA LYS 58 9.893 1.760 -13.027 402 1HB LYS 58 1HB LYS 58 9.975 3.822 -14.823 403 2HB LYS 58 2HB LYS 58 11.673 3.404 -14.719 404 1HG LYS 58 1HG LYS 58 10.382 0.904 -14.823 405 2HG LYS 58 2HG LYS 58 9.449 1.894 -15.927 406 1HD LYS 58 1HD LYS 58 11.246 2.228 -17.384 407 2HD LYS 58 2HD LYS 58 12.446 2.088 -16.116 408 1HE LYS 58 1HE LYS 58 10.958 -0.422 -16.412 409 2HE LYS 58 2HE LYS 58 11.656 0.068 -17.943 410 1HZ LYS 58 1HZ LYS 58 13.061 -1.242 -16.135 411 2HZ LYS 58 2HZ LYS 58 13.774 -0.161 -17.123 412 H ASP 59 H ASP 59 10.821 1.504 -10.783 413 HA ASP 59 HA ASP 59 13.705 1.561 -11.050 414 1HB ASP 59 1HB ASP 59 12.632 3.485 -9.567 415 2HB ASP 59 2HB ASP 59 12.401 2.207 -8.390 416 H LYS 60 H LYS 60 10.836 0.608 -9.020 417 HA LYS 60 HA LYS 60 10.492 -1.172 -7.715 418 1HB LYS 60 1HB LYS 60 10.632 -3.334 -9.007 419 2HB LYS 60 2HB LYS 60 9.710 -2.053 -9.766 420 1HG LYS 60 1HG LYS 60 11.640 -1.469 -11.207 421 2HG LYS 60 2HG LYS 60 12.635 -2.666 -10.402 422 1HD LYS 60 1HD LYS 60 11.085 -4.474 -11.173 423 2HD LYS 60 2HD LYS 60 10.089 -3.278 -11.978 424 1HE LYS 60 1HE LYS 60 12.900 -2.985 -12.763 425 2HE LYS 60 2HE LYS 60 12.341 -4.619 -13.057 426 1HZ LYS 60 1HZ LYS 60 11.093 -3.883 -14.762 427 2HZ LYS 60 2HZ LYS 60 10.383 -2.714 -13.878 428 H SER 61 H SER 61 11.960 -0.876 -6.002 429 HA SER 61 HA SER 61 13.985 -2.875 -5.937 430 1HB SER 61 1HB SER 61 14.667 0.046 -6.177 431 2HB SER 61 2HB SER 61 15.634 -0.923 -5.082 432 HG SER 61 HG SER 61 16.217 -2.313 -6.806 433 H ALA 62 H ALA 62 12.837 0.212 -4.386 434 HA ALA 62 HA ALA 62 11.764 -1.032 -2.154 435 1HB ALA 62 1HB ALA 62 14.687 -0.578 -2.057 436 2HB ALA 62 2HB ALA 62 13.790 0.085 -0.671 437 3HB ALA 62 3HB ALA 62 13.661 -1.645 -1.069 438 H LYS 63 H LYS 63 13.803 1.839 -3.061 439 HA LYS 63 HA LYS 63 12.250 3.638 -1.556 440 1HB LYS 63 1HB LYS 63 14.278 3.960 -3.773 441 2HB LYS 63 2HB LYS 63 13.463 5.336 -3.058 442 1HG LYS 63 1HG LYS 63 14.209 4.302 -0.755 443 2HG LYS 63 2HG LYS 63 15.325 3.348 -1.712 444 1HD LYS 63 1HD LYS 63 16.743 5.106 -1.892 445 2HD LYS 63 2HD LYS 63 15.488 6.089 -2.620 446 1HE LYS 63 1HE LYS 63 15.151 5.734 0.308 447 2HE LYS 63 2HE LYS 63 16.644 6.542 -0.125 448 1HZ LYS 63 1HZ LYS 63 15.037 7.907 -1.670 449 2HZ LYS 63 2HZ LYS 63 13.891 7.431 -0.616 450 H GLY 64 H GLY 64 11.737 2.004 -4.581 451 1HA GLY 64 1HA GLY 64 10.173 3.907 -5.935 452 2HA GLY 64 2HA GLY 64 10.140 2.168 -6.154 453 H TYR 65 H TYR 65 8.668 4.946 -4.526 454 HA TYR 65 HA TYR 65 7.047 3.709 -2.685 455 1HB TYR 65 1HB TYR 65 7.273 6.156 -2.949 456 2HB TYR 65 2HB TYR 65 6.749 6.078 -4.620 457 HD1 TYR 65 HD1 TYR 65 5.495 5.346 -1.161 458 HD2 TYR 65 HD2 TYR 65 4.534 6.590 -5.140 459 HE1 TYR 65 HE1 TYR 65 3.105 5.830 -0.441 460 HE2 TYR 65 HE2 TYR 65 2.148 7.069 -4.406 461 HH TYR 65 HH TYR 65 0.711 5.893 -2.076 462 H TYR 66 H TYR 66 6.578 4.124 -6.236 463 HA TYR 66 HA TYR 66 3.947 2.995 -6.148 464 1HB TYR 66 1HB TYR 66 4.410 4.543 -7.930 465 2HB TYR 66 2HB TYR 66 6.043 3.944 -8.143 466 HD1 TYR 66 HD1 TYR 66 6.375 1.673 -9.266 467 HD2 TYR 66 HD2 TYR 66 2.631 3.742 -9.277 468 HE1 TYR 66 HE1 TYR 66 5.597 0.269 -11.237 469 HE2 TYR 66 HE2 TYR 66 1.865 2.331 -11.248 470 HH TYR 66 HH TYR 66 3.058 -0.427 -12.059 471 H HIS 67 H HIS 67 6.926 1.620 -5.613 472 HA HIS 67 HA HIS 67 6.319 -0.774 -7.162 473 1HB HIS 67 1HB HIS 67 8.512 -0.477 -7.578 474 2HB HIS 67 2HB HIS 67 8.766 0.513 -6.154 475 HD1 HIS 67 HD1 HIS 67 9.078 -2.976 -7.422 476 HD2 HIS 67 HD2 HIS 67 9.358 -0.968 -3.750 477 HE1 HIS 67 HE1 HIS 67 10.209 -4.595 -5.807 478 H VAL 68 H VAL 68 6.474 0.574 -3.885 479 HA VAL 68 HA VAL 68 6.184 -2.046 -2.690 480 HB VAL 68 HB VAL 68 6.016 -0.587 -0.594 481 1HG1 VAL 68 2HG1 VAL 68 8.073 -1.811 -1.618 482 2HG1 VAL 68 3HG1 VAL 68 8.617 -0.175 -2.059 483 3HG1 VAL 68 1HG1 VAL 68 8.334 -0.588 -0.351 484 1HG2 VAL 68 1HG2 VAL 68 5.495 1.480 -2.117 485 2HG2 VAL 68 2HG2 VAL 68 6.504 1.679 -0.664 486 3HG2 VAL 68 3HG2 VAL 68 7.265 1.576 -2.270 487 H MET 69 H MET 69 4.171 -0.352 -4.539 488 HA MET 69 HA MET 69 1.908 -0.806 -2.750 489 1HB MET 69 1HB MET 69 2.167 1.137 -5.114 490 2HB MET 69 2HB MET 69 0.740 0.965 -4.111 491 1HG MET 69 1HG MET 69 3.427 1.635 -2.855 492 2HG MET 69 2HG MET 69 2.444 2.897 -3.570 493 1HE MET 69 1HE MET 69 3.565 1.520 -0.758 494 2HE MET 69 2HE MET 69 2.913 3.072 -0.179 495 3HE MET 69 3HE MET 69 2.321 1.543 0.515 496 H HIS 70 H HIS 70 3.565 -1.799 -5.584 497 HA HIS 70 HA HIS 70 1.197 -3.307 -6.392 498 1HB HIS 70 1HB HIS 70 3.133 -2.126 -8.390 499 2HB HIS 70 2HB HIS 70 1.607 -2.927 -8.709 500 HD1 HIS 70 HD1 HIS 70 2.952 0.297 -7.170 501 HD2 HIS 70 HD2 HIS 70 -0.597 -1.261 -8.775 502 HE1 HIS 70 HE1 HIS 70 1.325 2.255 -7.342 503 H ASP 71 H ASP 71 4.762 -2.926 -7.026 504 HA ASP 71 HA ASP 71 5.397 -5.318 -7.887 505 1HB ASP 71 1HB ASP 71 6.845 -3.265 -6.961 506 2HB ASP 71 2HB ASP 71 7.003 -4.282 -5.543 507 H LYS 72 H LYS 72 5.421 -7.470 -7.116 508 HA LYS 72 HA LYS 72 4.473 -7.830 -4.369 509 1HB LYS 72 1HB LYS 72 4.446 -9.859 -6.616 510 2HB LYS 72 2HB LYS 72 3.612 -9.951 -5.078 511 1HG LYS 72 1HG LYS 72 1.826 -8.959 -6.060 512 2HG LYS 72 2HG LYS 72 2.769 -7.486 -6.174 513 1HD LYS 72 1HD LYS 72 3.760 -8.880 -8.334 514 2HD LYS 72 2HD LYS 72 2.118 -9.491 -8.290 515 1HE LYS 72 1HE LYS 72 1.263 -7.118 -8.257 516 2HE LYS 72 2HE LYS 72 2.913 -6.540 -8.371 517 1HZ LYS 72 1HZ LYS 72 3.022 -7.991 -10.471 518 2HZ LYS 72 2HZ LYS 72 1.395 -8.049 -10.409 519 H ASN 73 H ASN 73 7.130 -8.413 -6.635 520 HA ASN 73 HA ASN 73 8.359 -10.370 -5.018 521 1HB ASN 73 1HB ASN 73 9.315 -8.619 -7.331 522 2HB ASN 73 2HB ASN 73 10.401 -9.733 -6.524 523 1HD2 ASN 73 2HD2 ASN 73 9.050 -11.482 -9.466 524 2HD2 ASN 73 1HD2 ASN 73 10.031 -10.098 -9.116 525 H THR 74 H THR 74 7.895 -8.668 -3.071 526 HA THR 74 HA THR 74 10.351 -7.071 -2.758 527 HB THR 74 HB THR 74 8.870 -5.508 -1.406 528 HG1 THR 74 HG1 THR 74 6.643 -6.041 -1.410 529 1HG2 THR 74 2HG2 THR 74 9.111 -5.574 -4.165 530 2HG2 THR 74 3HG2 THR 74 7.347 -5.712 -3.964 531 3HG2 THR 74 1HG2 THR 74 8.215 -4.319 -3.275 532 H LYS 75 H LYS 75 11.109 -6.819 -0.528 533 HA LYS 75 HA LYS 75 11.150 -9.314 0.761 534 1HB LYS 75 1HB LYS 75 13.059 -7.877 0.871 535 2HB LYS 75 2HB LYS 75 12.123 -6.560 1.549 536 1HG LYS 75 1HG LYS 75 11.635 -8.007 3.571 537 2HG LYS 75 2HG LYS 75 12.680 -9.243 2.900 538 1HD LYS 75 1HD LYS 75 14.445 -7.239 2.758 539 2HD LYS 75 2HD LYS 75 13.420 -6.519 3.983 540 1HE LYS 75 1HE LYS 75 13.751 -9.206 4.823 541 2HE LYS 75 2HE LYS 75 15.333 -8.729 4.237 542 1HZ LYS 75 1HZ LYS 75 13.969 -6.785 5.930 543 2HZ LYS 75 2HZ LYS 75 14.483 -8.135 6.681 544 H PHE 76 H PHE 76 9.002 -6.543 0.918 545 HA PHE 76 HA PHE 76 7.721 -7.759 3.273 546 1HB PHE 76 1HB PHE 76 7.928 -4.887 2.177 547 2HB PHE 76 2HB PHE 76 6.864 -5.310 3.504 548 HD1 PHE 76 HD2 PHE 76 8.141 -6.680 5.475 549 HD2 PHE 76 HD1 PHE 76 9.976 -3.958 2.731 550 HE1 PHE 76 HE2 PHE 76 10.046 -6.299 7.116 551 HE2 PHE 76 HE1 PHE 76 11.874 -3.586 4.381 552 HZ PHE 76 HZ PHE 76 11.828 -4.848 6.587 553 H LYS 77 H LYS 77 5.336 -7.559 3.353 554 HA LYS 77 HA LYS 77 4.199 -8.326 0.898 555 1HB LYS 77 1HB LYS 77 3.122 -7.707 3.644 556 2HB LYS 77 2HB LYS 77 2.032 -8.013 2.307 557 1HG LYS 77 1HG LYS 77 3.923 -10.071 2.064 558 2HG LYS 77 2HG LYS 77 3.745 -9.902 3.799 559 1HD LYS 77 1HD LYS 77 1.124 -9.770 2.523 560 2HD LYS 77 2HD LYS 77 1.968 -11.212 1.994 561 1HE LYS 77 1HE LYS 77 1.974 -12.163 4.109 562 2HE LYS 77 2HE LYS 77 2.144 -10.621 4.924 563 1HZ LYS 77 1HZ LYS 77 -0.047 -10.941 5.363 564 2HZ LYS 77 2HZ LYS 77 -0.313 -10.389 3.854 565 H SER 78 H SER 78 3.398 -7.142 -0.757 566 HA SER 78 HA SER 78 3.286 -4.284 -0.318 567 1HB SER 78 1HB SER 78 4.001 -4.094 -2.461 568 2HB SER 78 2HB SER 78 4.317 -5.816 -2.391 569 HG SER 78 HG SER 78 3.009 -5.378 -4.217 570 H CYS 79 H CYS 79 1.420 -3.072 -1.438 571 HA CYS 79 HA CYS 79 -0.971 -3.802 -0.396 572 1HB CYS 79 1HB CYS 79 -0.584 -2.224 -2.947 573 2HB CYS 79 2HB CYS 79 -1.997 -2.201 -1.911 574 H VAL 80 H VAL 80 -0.106 -4.030 -3.933 575 HA VAL 80 HA VAL 80 -2.257 -5.727 -4.532 576 HB VAL 80 HB VAL 80 0.348 -5.144 -5.950 577 1HG1 VAL 80 2HG1 VAL 80 -2.017 -6.823 -6.742 578 2HG1 VAL 80 3HG1 VAL 80 -1.126 -5.909 -7.983 579 3HG1 VAL 80 1HG1 VAL 80 -0.278 -7.117 -6.988 580 1HG2 VAL 80 3HG2 VAL 80 -2.352 -3.860 -5.878 581 2HG2 VAL 80 1HG2 VAL 80 -0.735 -3.125 -6.001 582 3HG2 VAL 80 2HG2 VAL 80 -1.477 -3.888 -7.428 583 H GLY 81 H GLY 81 1.108 -6.282 -3.456 584 1HA GLY 81 1HA GLY 81 1.439 -8.943 -4.076 585 2HA GLY 81 2HA GLY 81 2.115 -8.134 -2.676 586 H CYS 82 H CYS 82 0.193 -7.609 -0.922 587 HA CYS 82 HA CYS 82 -0.525 -10.118 0.056 588 1HB CYS 82 1HB CYS 82 -0.134 -8.148 1.488 589 2HB CYS 82 2HB CYS 82 -1.575 -7.381 0.850 590 H HIS 83 H HIS 83 -2.333 -7.494 -1.663 591 HA HIS 83 HA HIS 83 -4.852 -8.554 -1.494 592 1HB HIS 83 1HB HIS 83 -3.453 -6.804 -3.495 593 2HB HIS 83 2HB HIS 83 -5.085 -7.352 -3.820 594 HD1 HIS 83 HD1 HIS 83 -6.058 -4.952 -3.590 595 HD2 HIS 83 HD2 HIS 83 -4.151 -6.368 -0.133 596 HE1 HIS 83 HE1 HIS 83 -6.687 -3.339 -1.715 597 H VAL 84 H VAL 84 -2.207 -9.269 -3.843 598 HA VAL 84 HA VAL 84 -3.670 -10.905 -5.534 599 HB VAL 84 HB VAL 84 -0.756 -10.884 -4.739 600 1HG1 VAL 84 3HG1 VAL 84 -2.242 -12.761 -6.439 601 2HG1 VAL 84 1HG1 VAL 84 -0.869 -11.989 -7.267 602 3HG1 VAL 84 2HG1 VAL 84 -0.605 -12.883 -5.751 603 1HG2 VAL 84 3HG2 VAL 84 -2.228 -9.024 -6.149 604 2HG2 VAL 84 1HG2 VAL 84 -0.464 -9.243 -6.245 605 3HG2 VAL 84 2HG2 VAL 84 -1.525 -10.026 -7.441 606 H GLU 85 H GLU 85 -2.109 -11.537 -2.369 607 HA GLU 85 HA GLU 85 -2.517 -14.328 -2.559 608 1HB GLU 85 1HB GLU 85 -1.406 -12.402 -0.603 609 2HB GLU 85 2HB GLU 85 -2.199 -13.773 0.147 610 1HG GLU 85 1HG GLU 85 -0.610 -14.736 -2.078 611 2HG GLU 85 2HG GLU 85 0.392 -13.689 -1.093 612 H VAL 86 H VAL 86 -4.335 -11.527 -1.307 613 HA VAL 86 HA VAL 86 -6.207 -13.107 0.149 614 HB VAL 86 HB VAL 86 -6.293 -10.245 -0.829 615 1HG1 VAL 86 1HG1 VAL 86 -8.531 -11.214 -0.289 616 2HG1 VAL 86 2HG1 VAL 86 -7.943 -11.557 1.356 617 3HG1 VAL 86 3HG1 VAL 86 -8.054 -9.875 0.783 618 1HG2 VAL 86 3HG2 VAL 86 -4.513 -11.293 0.949 619 2HG2 VAL 86 1HG2 VAL 86 -5.096 -9.612 0.979 620 3HG2 VAL 86 2HG2 VAL 86 -5.845 -10.833 2.036 621 H ALA 87 H ALA 87 -6.293 -11.295 -3.000 622 HA ALA 87 HA ALA 87 -8.859 -12.256 -3.673 623 1HB ALA 87 2HB ALA 87 -7.778 -10.174 -4.549 624 2HB ALA 87 3HB ALA 87 -6.642 -11.190 -5.469 625 3HB ALA 87 1HB ALA 87 -8.383 -11.243 -5.838 626 H GLY 88 H GLY 88 -5.501 -13.386 -4.242 627 1HA GLY 88 1HA GLY 88 -4.717 -15.200 -5.361 628 2HA GLY 88 2HA GLY 88 -5.907 -16.024 -4.374 629 H ALA 89 H ALA 89 -7.201 -17.381 -5.524 630 HA ALA 89 HA ALA 89 -7.844 -16.576 -8.278 631 1HB ALA 89 2HB ALA 89 -7.207 -19.215 -6.972 632 2HB ALA 89 3HB ALA 89 -8.282 -19.181 -8.391 633 3HB ALA 89 1HB ALA 89 -6.625 -18.543 -8.514 634 H ASP 90 H ASP 90 -9.451 -15.238 -6.756 635 HA ASP 90 HA ASP 90 -11.740 -16.964 -6.241 636 1HB ASP 90 1HB ASP 90 -10.627 -15.353 -4.445 637 2HB ASP 90 2HB ASP 90 -11.500 -14.093 -5.295 638 H ALA 91 H ALA 91 -10.352 -14.498 -8.258 639 HA ALA 91 HA ALA 91 -11.106 -13.287 -9.948 640 1HB ALA 91 3HB ALA 91 -12.015 -15.440 -10.722 641 2HB ALA 91 1HB ALA 91 -13.502 -15.161 -9.785 642 3HB ALA 91 2HB ALA 91 -13.106 -14.104 -11.161 643 H ALA 92 H ALA 92 -12.311 -11.369 -10.355 644 HA ALA 92 HA ALA 92 -13.813 -9.752 -9.955 645 1HB ALA 92 1HB ALA 92 -15.163 -11.886 -8.914 646 2HB ALA 92 2HB ALA 92 -14.949 -10.889 -7.455 647 3HB ALA 92 3HB ALA 92 -15.770 -10.214 -8.883 648 H LYS 93 H LYS 93 -12.454 -11.278 -6.956 649 HA LYS 93 HA LYS 93 -12.168 -8.815 -5.614 650 1HB LYS 93 1HB LYS 93 -10.893 -11.529 -5.166 651 2HB LYS 93 2HB LYS 93 -10.728 -10.170 -4.072 652 1HG LYS 93 1HG LYS 93 -13.398 -10.123 -4.222 653 2HG LYS 93 2HG LYS 93 -13.196 -11.790 -4.726 654 1HD LYS 93 1HD LYS 93 -12.496 -12.484 -2.641 655 2HD LYS 93 2HD LYS 93 -11.583 -11.019 -2.340 656 1HE LYS 93 1HE LYS 93 -14.632 -11.066 -2.316 657 2HE LYS 93 2HE LYS 93 -13.682 -11.392 -0.881 658 1HZ LYS 93 1HZ LYS 93 -13.676 -8.877 -2.455 659 2HZ LYS 93 2HZ LYS 93 -14.173 -9.065 -0.916 660 H LYS 94 H LYS 94 -9.945 -10.868 -7.589 661 HA LYS 94 HA LYS 94 -7.701 -9.226 -7.186 662 1HB LYS 94 1HB LYS 94 -8.046 -11.695 -8.150 663 2HB LYS 94 2HB LYS 94 -8.001 -10.844 -9.681 664 1HG LYS 94 1HG LYS 94 -5.785 -10.164 -9.409 665 2HG LYS 94 2HG LYS 94 -5.898 -10.107 -7.661 666 1HD LYS 94 1HD LYS 94 -4.778 -12.091 -7.683 667 2HD LYS 94 2HD LYS 94 -6.305 -12.809 -8.154 668 1HE LYS 94 1HE LYS 94 -5.023 -13.573 -9.923 669 2HE LYS 94 2HE LYS 94 -5.500 -12.033 -10.610 670 1HZ LYS 94 1HZ LYS 94 -3.170 -11.770 -8.970 671 2HZ LYS 94 2HZ LYS 94 -2.921 -12.849 -10.165 672 H LYS 95 H LYS 95 -10.646 -8.632 -8.779 673 HA LYS 95 HA LYS 95 -9.393 -6.827 -10.704 674 1HB LYS 95 1HB LYS 95 -11.531 -8.577 -10.923 675 2HB LYS 95 2HB LYS 95 -12.319 -7.027 -10.718 676 1HG LYS 95 1HG LYS 95 -11.325 -6.105 -12.658 677 2HG LYS 95 2HG LYS 95 -9.993 -7.244 -12.643 678 1HD LYS 95 1HD LYS 95 -12.588 -8.614 -12.890 679 2HD LYS 95 2HD LYS 95 -12.352 -7.445 -14.173 680 1HE LYS 95 1HE LYS 95 -11.080 -9.017 -15.215 681 2HE LYS 95 2HE LYS 95 -9.850 -8.694 -14.010 682 1HZ LYS 95 1HZ LYS 95 -10.980 -10.415 -12.597 683 2HZ LYS 95 2HZ LYS 95 -11.945 -10.791 -13.854 684 H ASP 96 H ASP 96 -10.723 -6.926 -7.534 685 HA ASP 96 HA ASP 96 -11.128 -4.042 -7.685 686 1HB ASP 96 1HB ASP 96 -12.826 -6.169 -6.639 687 2HB ASP 96 2HB ASP 96 -12.386 -5.082 -5.337 688 H LEU 97 H LEU 97 -8.965 -6.352 -6.837 689 HA LEU 97 HA LEU 97 -8.179 -4.951 -4.378 690 1HB LEU 97 1HB LEU 97 -8.111 -7.894 -5.015 691 2HB LEU 97 2HB LEU 97 -7.119 -7.183 -3.757 692 HG LEU 97 HG LEU 97 -10.112 -7.470 -3.870 693 1HD1 LEU 97 1HD1 LEU 97 -7.905 -8.335 -2.018 694 2HD1 LEU 97 2HD1 LEU 97 -9.588 -8.226 -1.448 695 3HD1 LEU 97 3HD1 LEU 97 -9.175 -9.305 -2.802 696 1HD2 LEU 97 2HD2 LEU 97 -8.550 -5.347 -2.460 697 2HD2 LEU 97 3HD2 LEU 97 -10.168 -5.285 -3.199 698 3HD2 LEU 97 1HD2 LEU 97 -9.939 -6.084 -1.626 699 H THR 98 H THR 98 -7.159 -6.794 -7.309 700 HA THR 98 HA THR 98 -4.620 -5.302 -7.177 701 HB THR 98 HB THR 98 -3.508 -7.288 -7.990 702 HG1 THR 98 HG1 THR 98 -4.895 -8.203 -9.491 703 1HG2 THR 98 2HG2 THR 98 -5.722 -8.245 -6.099 704 2HG2 THR 98 3HG2 THR 98 -4.207 -9.113 -6.444 705 3HG2 THR 98 1HG2 THR 98 -4.165 -7.556 -5.581 706 H GLY 99 H GLY 99 -7.534 -5.204 -8.587 707 1HA GLY 99 1HA GLY 99 -7.064 -5.331 -11.342 708 2HA GLY 99 2HA GLY 99 -8.317 -4.407 -10.536 709 H CYS 100 H CYS 100 -6.474 -3.770 -12.891 710 HA CYS 100 HA CYS 100 -4.768 -1.708 -11.875 711 1HB CYS 100 1HB CYS 100 -5.410 -2.820 -14.580 712 2HB CYS 100 2HB CYS 100 -4.666 -1.237 -14.467 713 H LYS 101 H LYS 101 -7.779 -1.958 -13.901 714 HA LYS 101 HA LYS 101 -8.417 0.774 -13.034 715 1HB LYS 101 1HB LYS 101 -7.662 0.714 -15.401 716 2HB LYS 101 2HB LYS 101 -8.948 -0.417 -15.772 717 1HG LYS 101 1HG LYS 101 -10.498 1.436 -14.633 718 2HG LYS 101 2HG LYS 101 -9.156 2.500 -15.001 719 1HD LYS 101 1HD LYS 101 -9.396 2.240 -17.327 720 2HD LYS 101 2HD LYS 101 -10.160 0.669 -17.183 721 1HE LYS 101 1HE LYS 101 -12.177 1.844 -16.131 722 2HE LYS 101 2HE LYS 101 -11.417 3.374 -16.525 723 1HZ LYS 101 1HZ LYS 101 -13.007 1.981 -18.213 724 2HZ LYS 101 2HZ LYS 101 -11.952 3.123 -18.697 725 H LYS 102 H LYS 102 -10.538 1.140 -12.364 726 HA LYS 102 HA LYS 102 -12.601 0.673 -11.717 727 1HB LYS 102 1HB LYS 102 -12.268 -1.099 -14.015 728 2HB LYS 102 2HB LYS 102 -13.375 -1.764 -12.831 729 1HG LYS 102 1HG LYS 102 -14.859 0.076 -12.977 730 2HG LYS 102 2HG LYS 102 -13.625 1.155 -13.599 731 1HD LYS 102 1HD LYS 102 -14.229 0.662 -15.726 732 2HD LYS 102 2HD LYS 102 -13.866 -1.031 -15.459 733 1HE LYS 102 1HE LYS 102 -16.142 -1.394 -14.517 734 2HE LYS 102 2HE LYS 102 -16.510 0.309 -14.710 735 1HZ LYS 102 1HZ LYS 102 -16.016 -1.654 -16.874 736 2HZ LYS 102 2HZ LYS 102 -17.371 -0.789 -16.615 737 H SER 103 H SER 103 -10.492 0.116 -10.033 738 HA SER 103 HA SER 103 -11.384 -2.385 -8.824 739 1HB SER 103 1HB SER 103 -8.897 -1.956 -7.716 740 2HB SER 103 2HB SER 103 -9.215 -3.019 -9.072 741 HG SER 103 HG SER 103 -8.504 -0.217 -9.288 742 H LYS 104 H LYS 104 -10.260 -2.161 -6.296 743 HA LYS 104 HA LYS 104 -11.928 -0.153 -5.142 744 1HB LYS 104 1HB LYS 104 -10.005 -2.168 -3.947 745 2HB LYS 104 2HB LYS 104 -11.004 -1.086 -2.997 746 1HG LYS 104 1HG LYS 104 -12.295 -2.798 -5.138 747 2HG LYS 104 2HG LYS 104 -11.874 -3.523 -3.599 748 1HD LYS 104 1HD LYS 104 -13.154 -1.037 -2.988 749 2HD LYS 104 2HD LYS 104 -14.120 -1.789 -4.242 750 1HE LYS 104 1HE LYS 104 -13.562 -3.945 -2.560 751 2HE LYS 104 2HE LYS 104 -13.716 -2.620 -1.423 752 1HZ LYS 104 1HZ LYS 104 -15.895 -3.433 -1.756 753 2HZ LYS 104 2HZ LYS 104 -15.863 -2.081 -2.663 754 H CYS 105 H CYS 105 -8.521 -0.496 -6.039 755 HA CYS 105 HA CYS 105 -7.753 1.762 -4.434 756 1HB CYS 105 1HB CYS 105 -6.129 0.276 -6.524 757 2HB CYS 105 2HB CYS 105 -5.520 1.391 -5.316 758 H HIS 106 H HIS 106 -7.500 0.948 -7.981 759 HA HIS 106 HA HIS 106 -7.751 3.788 -8.542 760 1HB HIS 106 1HB HIS 106 -6.967 1.454 -10.310 761 2HB HIS 106 2HB HIS 106 -7.040 3.125 -10.832 762 HD1 HIS 106 HD1 HIS 106 -5.520 4.735 -8.908 763 HD2 HIS 106 HD2 HIS 106 -4.386 0.792 -9.780 764 HE1 HIS 106 HE1 HIS 106 -3.058 4.541 -8.266 765 H GLU 107 H GLU 107 -9.531 4.696 -9.520 766 HA GLU 107 HA GLU 107 -11.641 2.797 -10.191 767 1HB GLU 107 1HB GLU 107 -13.257 4.545 -9.571 768 2HB GLU 107 2HB GLU 107 -12.173 4.219 -8.234 769 1HG GLU 107 1HG GLU 107 -11.021 6.257 -8.479 770 2HG GLU 107 2HG GLU 107 -11.417 6.402 -10.180 771 HHA HEC 108 HHA HEC 108 -0.887 6.510 7.514 772 HHB HEC 108 HHB HEC 108 -1.742 3.836 13.278 773 HHC HEC 108 HHC HEC 108 -2.473 -1.901 10.519 774 HHD HEC 108 HHD HEC 108 -1.205 0.727 4.769 775 1HMA HEC 108 1HMA HEC 108 -0.969 5.807 13.542 776 2HMA HEC 108 2HMA HEC 108 -0.682 7.375 12.750 777 3HMA HEC 108 3HMA HEC 108 -2.346 6.801 13.011 778 1HAA HEC 108 1HAA HEC 108 -1.131 8.018 8.877 779 2HAA HEC 108 2HAA HEC 108 -1.414 8.448 10.580 780 1HBA HEC 108 1HBA HEC 108 1.223 7.367 10.339 781 2HBA HEC 108 2HBA HEC 108 0.988 8.613 9.090 782 1HMB HEC 108 1HMB HEC 108 -1.927 2.382 14.786 783 2HMB HEC 108 2HMB HEC 108 -3.629 1.872 14.686 784 3HMB HEC 108 3HMB HEC 108 -2.375 0.698 15.151 785 HAB HEC 108 HAB HEC 108 -3.176 -2.045 12.384 786 1HBB HEC 108 1HBB HEC 108 -4.160 -0.265 14.604 787 2HBB HEC 108 2HBB HEC 108 -5.092 -1.197 13.407 788 3HBB HEC 108 3HBB HEC 108 -4.235 -2.040 14.720 789 1HMC HEC 108 1HMC HEC 108 -1.789 -3.853 7.571 790 2HMC HEC 108 2HMC HEC 108 -2.466 -3.366 9.144 791 3HMC HEC 108 3HMC HEC 108 -3.514 -3.435 7.707 792 HAC HEC 108 HAC HEC 108 -2.007 -1.181 4.441 793 1HBC HEC 108 1HBC HEC 108 -2.785 -3.387 4.020 794 2HBC HEC 108 2HBC HEC 108 -2.520 -3.875 5.711 795 3HBC HEC 108 3HBC HEC 108 -3.800 -2.705 5.313 796 1HMD HEC 108 1HMD HEC 108 -1.403 2.930 3.009 797 2HMD HEC 108 2HMD HEC 108 0.136 3.822 3.065 798 3HMD HEC 108 3HMD HEC 108 0.093 2.095 3.493 799 1HAD HEC 108 1HAD HEC 108 -0.589 6.744 5.530 800 2HAD HEC 108 2HAD HEC 108 0.839 5.968 4.805 801 1HBD HEC 108 1HBD HEC 108 -1.427 5.250 3.240 802 2HBD HEC 108 2HBD HEC 108 -1.480 7.007 3.524 803 HHA HEC 109 HHA HEC 109 11.705 -2.212 1.582 804 HHB HEC 109 HHB HEC 109 5.334 -1.560 1.276 805 HHC HEC 109 HHC HEC 109 5.627 3.292 5.456 806 HHD HEC 109 HHD HEC 109 12.094 3.260 4.902 807 1HMA HEC 109 1HMA HEC 109 6.648 -4.464 0.706 808 2HMA HEC 109 2HMA HEC 109 5.868 -3.030 -0.004 809 3HMA HEC 109 3HMA HEC 109 7.207 -3.832 -0.861 810 1HAA HEC 109 1HAA HEC 109 10.967 -3.867 0.690 811 2HAA HEC 109 2HAA HEC 109 9.511 -4.794 0.258 812 1HBA HEC 109 1HBA HEC 109 9.316 -3.448 -1.813 813 2HBA HEC 109 2HBA HEC 109 10.840 -2.632 -1.390 814 1HMB HEC 109 1HMB HEC 109 2.905 -1.175 3.216 815 2HMB HEC 109 2HMB HEC 109 2.390 0.331 2.421 816 3HMB HEC 109 3HMB HEC 109 3.422 -0.827 1.549 817 HAB HEC 109 HAB HEC 109 3.732 2.725 5.342 818 1HBB HEC 109 1HBB HEC 109 1.761 0.623 4.432 819 2HBB HEC 109 2HBB HEC 109 2.820 0.434 5.850 820 3HBB HEC 109 3HBB HEC 109 1.621 1.748 5.804 821 1HMC HEC 109 1HMC HEC 109 7.129 4.646 7.602 822 2HMC HEC 109 2HMC HEC 109 8.029 5.992 6.862 823 3HMC HEC 109 3HMC HEC 109 6.573 5.350 6.064 824 HAC HEC 109 HAC HEC 109 11.636 4.787 6.032 825 1HBC HEC 109 1HBC HEC 109 11.573 5.551 8.208 826 2HBC HEC 109 2HBC HEC 109 9.811 5.800 8.187 827 3HBC HEC 109 3HBC HEC 109 10.476 4.151 8.271 828 1HMD HEC 109 1HMD HEC 109 13.972 2.898 4.004 829 2HMD HEC 109 2HMD HEC 109 14.541 1.459 4.885 830 3HMD HEC 109 3HMD HEC 109 14.982 1.689 3.176 831 1HAD HEC 109 1HAD HEC 109 13.671 -1.864 2.001 832 2HAD HEC 109 2HAD HEC 109 14.330 -0.393 1.246 833 1HBD HEC 109 1HBD HEC 109 15.003 -0.529 4.067 834 2HBD HEC 109 2HBD HEC 109 15.541 -1.978 3.184 835 HHA HEC 110 HHA HEC 110 -10.189 -4.799 0.890 836 HHB HEC 110 HHB HEC 110 -6.354 0.043 -0.829 837 HHC HEC 110 HHC HEC 110 -1.419 -2.886 2.018 838 HHD HEC 110 HHD HEC 110 -5.123 -8.017 3.142 839 1HMA HEC 110 1HMA HEC 110 -8.542 -0.092 -2.253 840 2HMA HEC 110 2HMA HEC 110 -10.127 -0.102 -1.443 841 3HMA HEC 110 3HMA HEC 110 -8.748 0.735 -0.691 842 1HAA HEC 110 1HAA HEC 110 -11.290 -1.766 -1.123 843 2HAA HEC 110 2HAA HEC 110 -11.162 -3.526 -0.889 844 1HBA HEC 110 1HBA HEC 110 -12.832 -2.682 0.592 845 2HBA HEC 110 2HBA HEC 110 -11.418 -3.147 1.568 846 1HMB HEC 110 1HMB HEC 110 -4.391 0.835 -1.725 847 2HMB HEC 110 2HMB HEC 110 -4.185 1.691 -0.178 848 3HMB HEC 110 3HMB HEC 110 -2.757 1.185 -1.112 849 HAB HEC 110 HAB HEC 110 -0.719 -1.218 1.179 850 1HBB HEC 110 1HBB HEC 110 -0.575 1.430 0.197 851 2HBB HEC 110 2HBB HEC 110 -2.067 1.308 1.161 852 3HBB HEC 110 3HBB HEC 110 -0.501 0.867 1.884 853 1HMC HEC 110 1HMC HEC 110 -0.165 -4.502 2.315 854 2HMC HEC 110 2HMC HEC 110 -0.256 -5.528 3.767 855 3HMC HEC 110 3HMC HEC 110 -0.024 -6.270 2.166 856 HAC HEC 110 HAC HEC 110 -3.195 -8.245 4.158 857 1HBC HEC 110 1HBC HEC 110 -1.170 -7.058 5.017 858 2HBC HEC 110 2HBC HEC 110 -0.966 -8.812 4.797 859 3HBC HEC 110 3HBC HEC 110 -0.275 -7.680 3.611 860 1HMD HEC 110 1HMD HEC 110 -8.738 -9.020 3.714 861 2HMD HEC 110 2HMD HEC 110 -7.388 -9.557 2.686 862 3HMD HEC 110 3HMD HEC 110 -7.059 -8.725 4.225 863 1HAD HEC 110 1HAD HEC 110 -10.348 -8.170 2.694 864 2HAD HEC 110 2HAD HEC 110 -10.817 -6.457 2.822 865 1HBD HEC 110 1HBD HEC 110 -10.203 -7.052 0.087 866 2HBD HEC 110 2HBD HEC 110 -11.335 -8.271 0.719 867 HHA HEC 111 HHA HEC 111 0.355 5.591 -7.676 868 HHB HEC 111 HHB HEC 111 -0.586 2.085 -12.961 869 HHC HEC 111 HHC HEC 111 -3.238 -2.561 -9.432 870 HHD HEC 111 HHD HEC 111 -2.997 1.328 -4.260 871 1HMA HEC 111 1HMA HEC 111 0.169 5.270 -13.226 872 2HMA HEC 111 2HMA HEC 111 1.824 4.764 -12.806 873 3HMA HEC 111 3HMA HEC 111 0.662 3.573 -13.438 874 1HAA HEC 111 1HAA HEC 111 0.605 6.992 -10.713 875 2HAA HEC 111 2HAA HEC 111 1.273 6.506 -9.136 876 1HBA HEC 111 1HBA HEC 111 3.309 6.533 -9.998 877 2HBA HEC 111 2HBA HEC 111 2.844 5.277 -11.170 878 1HMB HEC 111 1HMB HEC 111 -0.956 -1.538 -14.086 879 2HMB HEC 111 2HMB HEC 111 -1.768 0.011 -14.416 880 3HMB HEC 111 3HMB HEC 111 -0.069 -0.009 -13.885 881 HAB HEC 111 HAB HEC 111 -3.369 -3.082 -11.533 882 1HBB HEC 111 1HBB HEC 111 -0.476 -3.332 -11.424 883 2HBB HEC 111 2HBB HEC 111 -1.748 -4.482 -10.946 884 3HBB HEC 111 3HBB HEC 111 -1.198 -4.416 -12.638 885 1HMC HEC 111 1HMC HEC 111 -4.479 -3.310 -7.990 886 2HMC HEC 111 2HMC HEC 111 -4.277 -3.599 -6.245 887 3HMC HEC 111 3HMC HEC 111 -5.707 -2.725 -6.843 888 HAC HEC 111 HAC HEC 111 -3.913 -0.353 -3.699 889 1HBC HEC 111 1HBC HEC 111 -3.320 -2.887 -4.310 890 2HBC HEC 111 2HBC HEC 111 -4.129 -2.417 -2.796 891 3HBC HEC 111 3HBC HEC 111 -5.087 -3.043 -4.160 892 1HMD HEC 111 1HMD HEC 111 -1.830 4.494 -2.910 893 2HMD HEC 111 2HMD HEC 111 -2.512 2.855 -3.034 894 3HMD HEC 111 3HMD HEC 111 -0.770 3.074 -2.738 895 1HAD HEC 111 1HAD HEC 111 0.547 5.387 -4.043 896 2HAD HEC 111 2HAD HEC 111 0.706 5.967 -5.718 897 1HBD HEC 111 1HBD HEC 111 -1.704 6.845 -5.411 898 2HBD HEC 111 2HBD HEC 111 -1.395 6.625 -3.672 No H/Q in entry = 898 Start of MODEL 2 1 1H ALA 1 1H ALA 1 2.564 3.591 21.377 2 2H ALA 1 2H ALA 1 3.511 2.904 20.205 3 HA ALA 1 HA ALA 1 1.780 3.001 18.635 4 1HB ALA 1 1HB ALA 1 1.021 1.699 21.282 5 2HB ALA 1 2HB ALA 1 0.305 1.304 19.701 6 3HB ALA 1 3HB ALA 1 2.030 0.982 20.002 7 HA PRO 2 HA PRO 2 -0.861 6.350 19.872 8 1HB PRO 2 1HB PRO 2 -1.314 7.326 17.360 9 2HB PRO 2 2HB PRO 2 0.014 7.861 18.371 10 1HG PRO 2 1HG PRO 2 0.079 6.065 16.024 11 2HG PRO 2 2HG PRO 2 1.400 6.940 16.774 12 1HD PRO 2 1HD PRO 2 0.829 4.140 17.031 13 2HD PRO 2 2HD PRO 2 2.078 5.037 17.872 14 H LYS 3 H LYS 3 -2.020 5.641 16.681 15 HA LYS 3 HA LYS 3 -3.822 3.662 17.273 16 1HB LYS 3 1HB LYS 3 -4.556 5.990 18.660 17 2HB LYS 3 2HB LYS 3 -5.626 5.942 17.273 18 1HG LYS 3 1HG LYS 3 -5.607 3.275 18.092 19 2HG LYS 3 2HG LYS 3 -5.498 4.131 19.618 20 1HD LYS 3 1HD LYS 3 -7.601 5.095 19.398 21 2HD LYS 3 2HD LYS 3 -7.498 5.195 17.652 22 1HE LYS 3 1HE LYS 3 -8.621 3.236 17.414 23 2HE LYS 3 2HE LYS 3 -7.468 2.397 18.433 24 1HZ LYS 3 1HZ LYS 3 -9.446 2.243 19.630 25 2HZ LYS 3 2HZ LYS 3 -8.769 3.538 20.347 26 H ALA 4 H ALA 4 -5.419 3.368 15.500 27 HA ALA 4 HA ALA 4 -4.263 4.076 13.038 28 1HB ALA 4 1HB ALA 4 -6.921 2.847 13.852 29 2HB ALA 4 2HB ALA 4 -6.422 3.049 12.155 30 3HB ALA 4 3HB ALA 4 -5.469 2.015 13.246 31 HA PRO 5 HA PRO 5 -6.148 7.924 12.393 32 1HB PRO 5 1HB PRO 5 -5.708 8.218 9.712 33 2HB PRO 5 2HB PRO 5 -4.492 8.561 10.926 34 1HG PRO 5 1HG PRO 5 -4.688 6.242 9.104 35 2HG PRO 5 2HG PRO 5 -3.299 6.817 10.004 36 1HD PRO 5 1HD PRO 5 -4.946 4.558 10.649 37 2HD PRO 5 2HD PRO 5 -3.628 5.203 11.608 38 H ALA 6 H ALA 6 -7.854 9.131 11.174 39 HA ALA 6 HA ALA 6 -10.183 7.639 11.254 40 1HB ALA 6 1HB ALA 6 -9.436 10.246 9.882 41 2HB ALA 6 2HB ALA 6 -11.102 9.622 9.940 42 3HB ALA 6 3HB ALA 6 -10.250 10.026 11.450 43 H ASP 7 H ASP 7 -11.626 8.044 8.917 44 HA ASP 7 HA ASP 7 -10.256 6.162 7.190 45 1HB ASP 7 1HB ASP 7 -12.499 5.703 6.261 46 2HB ASP 7 2HB ASP 7 -12.508 5.531 8.005 47 H GLY 8 H GLY 8 -10.928 6.502 4.712 48 1HA GLY 8 1HA GLY 8 -11.173 7.836 2.886 49 2HA GLY 8 2HA GLY 8 -11.500 9.212 3.921 50 H LEU 9 H LEU 9 -8.644 7.268 4.631 51 HA LEU 9 HA LEU 9 -6.973 9.532 4.157 52 1HB LEU 9 1HB LEU 9 -6.422 8.288 6.034 53 2HB LEU 9 2HB LEU 9 -6.604 6.752 5.209 54 HG LEU 9 HG LEU 9 -4.229 7.804 5.830 55 1HD1 LEU 9 3HD1 LEU 9 -4.996 5.593 4.609 56 2HD1 LEU 9 1HD1 LEU 9 -4.343 6.428 3.179 57 3HD1 LEU 9 2HD1 LEU 9 -3.297 6.125 4.587 58 1HD2 LEU 9 2HD2 LEU 9 -4.984 9.700 4.067 59 2HD2 LEU 9 3HD2 LEU 9 -3.290 9.243 4.367 60 3HD2 LEU 9 1HD2 LEU 9 -4.159 8.568 2.968 61 H LYS 10 H LYS 10 -6.561 10.139 2.088 62 HA LYS 10 HA LYS 10 -5.851 7.977 0.228 63 1HB LYS 10 1HB LYS 10 -7.133 8.893 -1.367 64 2HB LYS 10 2HB LYS 10 -7.945 9.699 -0.040 65 1HG LYS 10 1HG LYS 10 -5.999 11.504 -0.344 66 2HG LYS 10 2HG LYS 10 -5.873 10.804 -1.946 67 1HD LYS 10 1HD LYS 10 -7.492 12.376 -2.427 68 2HD LYS 10 2HD LYS 10 -8.561 11.103 -1.874 69 1HE LYS 10 1HE LYS 10 -9.187 12.283 -0.022 70 2HE LYS 10 2HE LYS 10 -7.532 12.700 0.376 71 1HZ LYS 10 1HZ LYS 10 -9.178 14.078 -1.679 72 2HZ LYS 10 2HZ LYS 10 -8.814 14.678 -0.210 73 H MET 11 H MET 11 -4.063 8.372 -1.225 74 HA MET 11 HA MET 11 -2.346 10.528 -0.262 75 1HB MET 11 1HB MET 11 -0.424 8.917 -0.822 76 2HB MET 11 2HB MET 11 -1.417 8.414 0.532 77 1HG MET 11 1HG MET 11 -2.553 7.405 -1.967 78 2HG MET 11 2HG MET 11 -0.868 6.939 -1.842 79 1HE MET 11 2HE MET 11 0.132 5.591 -0.522 80 2HE MET 11 3HE MET 11 -0.448 4.662 0.881 81 3HE MET 11 1HE MET 11 -0.866 4.137 -0.767 82 H GLU 12 H GLU 12 -2.063 12.033 -1.846 83 HA GLU 12 HA GLU 12 -2.161 11.047 -4.586 84 1HB GLU 12 1HB GLU 12 -3.883 12.769 -3.819 85 2HB GLU 12 2HB GLU 12 -2.569 13.913 -3.631 86 1HG GLU 12 1HG GLU 12 -2.841 12.439 -6.258 87 2HG GLU 12 2HG GLU 12 -3.939 13.762 -5.920 88 H ALA 13 H ALA 13 0.181 10.365 -4.020 89 HA ALA 13 HA ALA 13 2.004 12.646 -4.090 90 1HB ALA 13 1HB ALA 13 1.994 10.011 -2.889 91 2HB ALA 13 2HB ALA 13 3.412 10.189 -3.949 92 3HB ALA 13 3HB ALA 13 3.131 11.356 -2.635 93 H THR 14 H THR 14 0.380 10.453 -6.153 94 HA THR 14 HA THR 14 2.348 11.013 -8.265 95 HB THR 14 HB THR 14 2.239 8.738 -9.005 96 HG1 THR 14 HG1 THR 14 -0.030 8.718 -7.145 97 1HG2 THR 14 2HG2 THR 14 3.017 9.188 -6.356 98 2HG2 THR 14 3HG2 THR 14 1.803 7.897 -6.195 99 3HG2 THR 14 1HG2 THR 14 3.227 7.654 -7.235 100 H LYS 15 H LYS 15 1.217 10.404 -10.505 101 HA LYS 15 HA LYS 15 -0.874 12.266 -10.740 102 1HB LYS 15 1HB LYS 15 0.845 11.656 -12.483 103 2HB LYS 15 2HB LYS 15 -0.027 10.160 -12.746 104 1HG LYS 15 1HG LYS 15 -2.103 11.952 -12.899 105 2HG LYS 15 2HG LYS 15 -0.790 12.957 -13.481 106 1HD LYS 15 1HD LYS 15 -0.828 10.208 -14.628 107 2HD LYS 15 2HD LYS 15 -2.225 11.180 -15.043 108 1HE LYS 15 1HE LYS 15 0.065 12.887 -15.313 109 2HE LYS 15 2HE LYS 15 0.484 11.365 -16.076 110 1HZ LYS 15 1HZ LYS 15 -0.955 11.786 -17.743 111 2HZ LYS 15 2HZ LYS 15 -2.176 12.198 -16.747 112 H GLN 16 H GLN 16 -0.823 9.063 -9.563 113 HA GLN 16 HA GLN 16 -3.690 8.889 -10.078 114 1HB GLN 16 1HB GLN 16 -1.812 6.507 -9.783 115 2HB GLN 16 2HB GLN 16 -3.509 6.460 -10.217 116 1HG GLN 16 1HG GLN 16 -1.819 8.196 -11.962 117 2HG GLN 16 2HG GLN 16 -1.442 6.486 -12.039 118 1HE2 GLN 16 2HE2 GLN 16 -4.741 5.495 -13.163 119 2HE2 GLN 16 1HE2 GLN 16 -3.523 5.064 -12.009 120 HA PRO 17 HA PRO 17 -3.345 9.017 -5.651 121 1HB PRO 17 1HB PRO 17 -5.817 10.084 -5.180 122 2HB PRO 17 2HB PRO 17 -4.386 11.060 -5.448 123 1HG PRO 17 1HG PRO 17 -6.636 10.522 -7.290 124 2HG PRO 17 2HG PRO 17 -5.438 11.800 -7.363 125 1HD PRO 17 1HD PRO 17 -5.509 9.420 -8.963 126 2HD PRO 17 2HD PRO 17 -4.252 10.640 -8.954 127 H VAL 18 H VAL 18 -4.360 7.966 -3.803 128 HA VAL 18 HA VAL 18 -6.317 5.977 -4.645 129 HB VAL 18 HB VAL 18 -3.652 5.376 -3.352 130 1HG1 VAL 18 2HG1 VAL 18 -6.173 3.738 -3.567 131 2HG1 VAL 18 3HG1 VAL 18 -4.576 2.951 -3.541 132 3HG1 VAL 18 1HG1 VAL 18 -5.090 3.969 -2.174 133 1HG2 VAL 18 2HG2 VAL 18 -4.751 5.110 -6.078 134 2HG2 VAL 18 3HG2 VAL 18 -3.062 5.183 -5.519 135 3HG2 VAL 18 1HG2 VAL 18 -3.956 3.645 -5.452 136 H VAL 19 H VAL 19 -7.554 5.104 -2.843 137 HA VAL 19 HA VAL 19 -7.310 6.795 -0.450 138 HB VAL 19 HB VAL 19 -9.728 5.749 -1.920 139 1HG1 VAL 19 2HG1 VAL 19 -9.901 5.409 0.579 140 2HG1 VAL 19 3HG1 VAL 19 -9.770 7.175 0.756 141 3HG1 VAL 19 1HG1 VAL 19 -11.142 6.469 -0.132 142 1HG2 VAL 19 2HG2 VAL 19 -8.494 7.977 -2.497 143 2HG2 VAL 19 3HG2 VAL 19 -10.268 7.968 -2.353 144 3HG2 VAL 19 1HG2 VAL 19 -9.269 8.584 -1.014 145 H PHE 20 H PHE 20 -6.670 5.686 1.317 146 HA PHE 20 HA PHE 20 -7.165 2.790 1.317 147 1HB PHE 20 1HB PHE 20 -4.791 3.781 1.411 148 2HB PHE 20 2HB PHE 20 -5.239 4.622 2.881 149 HD1 PHE 20 HD2 PHE 20 -5.255 1.125 1.505 150 HD2 PHE 20 HD1 PHE 20 -4.640 3.653 4.902 151 HE1 PHE 20 HE2 PHE 20 -4.539 -0.888 2.883 152 HE2 PHE 20 HE1 PHE 20 -3.925 1.631 6.268 153 HZ PHE 20 HZ PHE 20 -3.887 -0.645 5.136 154 H ASN 21 H ASN 21 -7.531 1.808 3.530 155 HA ASN 21 HA ASN 21 -8.809 3.681 5.331 156 1HB ASN 21 1HB ASN 21 -10.080 1.153 4.168 157 2HB ASN 21 2HB ASN 21 -10.690 1.922 5.620 158 1HD2 ASN 21 2HD2 ASN 21 -11.174 3.607 1.883 159 2HD2 ASN 21 1HD2 ASN 21 -10.045 2.330 2.190 160 H HIS 22 H HIS 22 -8.809 2.876 7.569 161 HA HIS 22 HA HIS 22 -6.961 0.647 7.924 162 1HB HIS 22 1HB HIS 22 -7.625 3.105 9.498 163 2HB HIS 22 2HB HIS 22 -7.065 1.690 10.367 164 HD1 HIS 22 HD1 HIS 22 -5.926 4.308 7.907 165 HD2 HIS 22 HD2 HIS 22 -4.346 1.018 9.974 166 HE1 HIS 22 HE1 HIS 22 -3.393 4.440 7.631 167 H SER 23 H SER 23 -10.292 1.637 8.247 168 HA SER 23 HA SER 23 -10.910 -0.210 10.301 169 1HB SER 23 1HB SER 23 -12.165 1.994 9.200 170 2HB SER 23 2HB SER 23 -13.104 0.687 8.507 171 HG SER 23 HG SER 23 -13.628 -0.075 10.584 172 H THR 24 H THR 24 -9.978 -0.608 7.102 173 HA THR 24 HA THR 24 -11.746 -2.915 6.673 174 HB THR 24 HB THR 24 -9.970 -1.245 4.819 175 HG1 THR 24 HG1 THR 24 -12.838 -1.780 5.159 176 1HG2 THR 24 3HG2 THR 24 -10.381 -3.833 4.282 177 2HG2 THR 24 1HG2 THR 24 -12.026 -3.272 3.901 178 3HG2 THR 24 2HG2 THR 24 -10.632 -2.611 3.013 179 H HIS 25 H HIS 25 -8.387 -1.907 7.231 180 HA HIS 25 HA HIS 25 -7.581 -4.693 6.898 181 1HB HIS 25 1HB HIS 25 -5.906 -2.177 7.138 182 2HB HIS 25 2HB HIS 25 -5.278 -3.798 6.918 183 HD1 HIS 25 HD1 HIS 25 -7.408 -1.214 5.088 184 HD2 HIS 25 HD2 HIS 25 -5.146 -4.655 4.294 185 HE1 HIS 25 HE1 HIS 25 -7.288 -1.420 2.548 186 H LYS 26 H LYS 26 -9.259 -3.953 9.125 187 HA LYS 26 HA LYS 26 -7.683 -3.434 11.408 188 1HB LYS 26 1HB LYS 26 -10.432 -4.700 11.231 189 2HB LYS 26 2HB LYS 26 -9.710 -3.964 12.648 190 1HG LYS 26 1HG LYS 26 -9.630 -1.766 11.515 191 2HG LYS 26 2HG LYS 26 -10.230 -2.477 10.030 192 1HD LYS 26 1HD LYS 26 -12.196 -1.589 10.967 193 2HD LYS 26 2HD LYS 26 -12.275 -3.261 11.484 194 1HE LYS 26 1HE LYS 26 -10.848 -1.299 13.279 195 2HE LYS 26 2HE LYS 26 -12.598 -1.233 13.222 196 1HZ LYS 26 1HZ LYS 26 -11.763 -2.783 14.934 197 2HZ LYS 26 2HZ LYS 26 -12.678 -3.570 13.841 198 H SER 27 H SER 27 -8.832 -6.410 9.749 199 HA SER 27 HA SER 27 -7.906 -8.108 11.785 200 1HB SER 27 1HB SER 27 -8.162 -9.880 9.937 201 2HB SER 27 2HB SER 27 -9.604 -8.985 10.372 202 HG SER 27 HG SER 27 -7.888 -8.177 8.191 203 H VAL 28 H VAL 28 -6.324 -6.216 9.399 204 HA VAL 28 HA VAL 28 -4.114 -8.054 9.050 205 HB VAL 28 HB VAL 28 -4.486 -5.209 8.095 206 1HG1 VAL 28 3HG1 VAL 28 -2.142 -6.101 8.128 207 2HG1 VAL 28 1HG1 VAL 28 -2.668 -7.388 7.017 208 3HG1 VAL 28 2HG1 VAL 28 -2.742 -5.685 6.505 209 1HG2 VAL 28 1HG2 VAL 28 -6.010 -7.428 7.369 210 2HG2 VAL 28 2HG2 VAL 28 -5.836 -5.911 6.455 211 3HG2 VAL 28 3HG2 VAL 28 -4.787 -7.299 6.082 212 H LYS 29 H LYS 29 -2.059 -7.819 9.962 213 HA LYS 29 HA LYS 29 -2.006 -6.446 12.446 214 1HB LYS 29 1HB LYS 29 -0.559 -8.527 11.151 215 2HB LYS 29 2HB LYS 29 0.603 -7.290 11.587 216 1HG LYS 29 1HG LYS 29 0.534 -8.449 13.596 217 2HG LYS 29 2HG LYS 29 -0.747 -7.292 13.902 218 1HD LYS 29 1HD LYS 29 -1.597 -9.785 12.488 219 2HD LYS 29 2HD LYS 29 -1.044 -10.015 14.134 220 1HE LYS 29 1HE LYS 29 -2.904 -9.024 15.018 221 2HE LYS 29 2HE LYS 29 -2.826 -7.678 13.898 222 1HZ LYS 29 1HZ LYS 29 -3.662 -10.243 12.779 223 2HZ LYS 29 2HZ LYS 29 -4.732 -9.505 13.760 224 H CYS 30 H CYS 30 -0.955 -4.545 13.039 225 HA CYS 30 HA CYS 30 -0.753 -2.594 11.064 226 1HB CYS 30 1HB CYS 30 0.598 -2.415 13.749 227 2HB CYS 30 2HB CYS 30 -0.067 -1.122 12.770 228 H GLY 31 H GLY 31 1.488 -4.992 12.394 229 1HA GLY 31 1HA GLY 31 3.871 -3.690 11.408 230 2HA GLY 31 2HA GLY 31 3.738 -5.270 12.153 231 H ASP 32 H ASP 32 1.294 -5.213 9.870 232 HA ASP 32 HA ASP 32 2.836 -6.857 8.134 233 1HB ASP 32 1HB ASP 32 0.402 -7.247 8.800 234 2HB ASP 32 2HB ASP 32 -0.034 -5.865 7.816 235 H CYS 33 H CYS 33 1.468 -3.561 8.257 236 HA CYS 33 HA CYS 33 2.314 -3.120 5.494 237 1HB CYS 33 1HB CYS 33 0.177 -1.942 7.207 238 2HB CYS 33 2HB CYS 33 0.983 -0.852 6.097 239 H HIS 34 H HIS 34 2.273 -1.577 8.795 240 HA HIS 34 HA HIS 34 4.356 0.221 8.070 241 1HB HIS 34 1HB HIS 34 3.139 -0.449 10.765 242 2HB HIS 34 2HB HIS 34 4.253 0.870 10.462 243 HD1 HIS 34 HD1 HIS 34 3.356 2.876 8.942 244 HD2 HIS 34 HD2 HIS 34 0.479 0.047 10.090 245 HE1 HIS 34 HE1 HIS 34 1.083 3.948 8.500 246 H HIS 35 H HIS 35 5.514 -1.985 7.272 247 HA HIS 35 HA HIS 35 6.649 -3.766 8.908 248 1HB HIS 35 1HB HIS 35 8.450 -3.962 7.302 249 2HB HIS 35 2HB HIS 35 6.922 -3.720 6.478 250 HD1 HIS 35 HD1 HIS 35 9.997 -1.695 7.524 251 HD2 HIS 35 HD2 HIS 35 6.912 -1.640 4.682 252 HE1 HIS 35 HE1 HIS 35 10.539 0.212 5.918 253 HA PRO 36 HA PRO 36 9.275 -1.644 11.612 254 1HB PRO 36 1HB PRO 36 10.982 -3.639 12.369 255 2HB PRO 36 2HB PRO 36 9.376 -3.445 13.043 256 1HG PRO 36 1HG PRO 36 10.333 -5.435 11.077 257 2HG PRO 36 2HG PRO 36 8.888 -5.478 12.068 258 1HD PRO 36 1HD PRO 36 9.033 -4.850 9.273 259 2HD PRO 36 2HD PRO 36 7.608 -4.781 10.290 260 H VAL 37 H VAL 37 10.512 -0.001 10.972 261 HA VAL 37 HA VAL 37 12.536 -0.625 9.001 262 HB VAL 37 HB VAL 37 11.398 1.883 10.212 263 1HG1 VAL 37 1HG1 VAL 37 13.850 1.642 8.440 264 2HG1 VAL 37 2HG1 VAL 37 12.944 3.154 8.692 265 3HG1 VAL 37 3HG1 VAL 37 13.749 2.359 10.066 266 1HG2 VAL 37 3HG2 VAL 37 10.306 0.550 8.286 267 2HG2 VAL 37 1HG2 VAL 37 10.517 2.305 8.081 268 3HG2 VAL 37 2HG2 VAL 37 11.639 1.174 7.287 269 H ASN 38 H ASN 38 12.473 1.169 12.168 270 HA ASN 38 HA ASN 38 15.257 0.438 12.457 271 1HB ASN 38 1HB ASN 38 13.772 2.777 13.052 272 2HB ASN 38 2HB ASN 38 14.086 2.067 14.623 273 1HD2 ASN 38 2HD2 ASN 38 16.908 4.178 12.776 274 2HD2 ASN 38 1HD2 ASN 38 15.207 4.190 12.448 275 H GLY 39 H GLY 39 13.182 -1.614 12.749 276 1HA GLY 39 1HA GLY 39 12.886 -3.381 14.142 277 2HA GLY 39 2HA GLY 39 13.833 -2.578 15.378 278 H LYS 40 H LYS 40 11.611 -0.285 14.342 279 HA LYS 40 HA LYS 40 9.637 -1.171 16.330 280 1HB LYS 40 1HB LYS 40 10.631 0.544 17.488 281 2HB LYS 40 2HB LYS 40 11.089 1.423 16.043 282 1HG LYS 40 1HG LYS 40 8.717 2.060 15.651 283 2HG LYS 40 2HG LYS 40 8.218 1.130 17.050 284 1HD LYS 40 1HD LYS 40 9.184 2.642 18.580 285 2HD LYS 40 2HD LYS 40 10.340 3.252 17.413 286 1HE LYS 40 1HE LYS 40 8.514 4.900 17.906 287 2HE LYS 40 2HE LYS 40 8.587 4.470 16.209 288 1HZ LYS 40 1HZ LYS 40 6.825 2.861 17.903 289 2HZ LYS 40 2HZ LYS 40 6.327 4.371 17.555 290 H GLU 41 H GLU 41 7.448 -0.838 15.823 291 HA GLU 41 HA GLU 41 7.037 -0.386 13.002 292 1HB GLU 41 1HB GLU 41 5.470 -1.692 15.221 293 2HB GLU 41 2HB GLU 41 4.588 -1.093 13.830 294 1HG GLU 41 1HG GLU 41 5.100 -3.102 12.875 295 2HG GLU 41 2HG GLU 41 6.681 -2.401 12.589 296 H ASP 42 H ASP 42 7.407 1.952 13.045 297 HA ASP 42 HA ASP 42 5.722 3.526 14.703 298 1HB ASP 42 1HB ASP 42 7.998 4.271 14.047 299 2HB ASP 42 2HB ASP 42 7.541 4.245 12.355 300 H TYR 43 H TYR 43 3.835 4.689 14.014 301 HA TYR 43 HA TYR 43 2.689 3.750 11.514 302 1HB TYR 43 1HB TYR 43 1.731 5.473 13.884 303 2HB TYR 43 2HB TYR 43 0.680 4.969 12.576 304 HD1 TYR 43 HD1 TYR 43 2.692 2.229 12.866 305 HD2 TYR 43 HD2 TYR 43 -0.299 4.300 15.117 306 HE1 TYR 43 HE1 TYR 43 2.149 0.089 14.128 307 HE2 TYR 43 HE2 TYR 43 -0.832 2.154 16.371 308 HH TYR 43 HH TYR 43 0.980 -0.213 16.738 309 H ARG 44 H ARG 44 4.113 4.973 10.061 310 HA ARG 44 HA ARG 44 3.358 7.786 10.049 311 1HB ARG 44 1HB ARG 44 5.979 6.598 10.119 312 2HB ARG 44 2HB ARG 44 5.790 7.313 8.530 313 1HG ARG 44 1HG ARG 44 5.349 9.496 9.437 314 2HG ARG 44 2HG ARG 44 5.046 8.860 11.042 315 1HD ARG 44 1HD ARG 44 7.356 8.433 11.452 316 2HD ARG 44 2HD ARG 44 7.764 8.461 9.748 317 HE ARG 44 HE ARG 44 6.718 11.021 10.386 318 1HH1 ARG 44 2HH2 ARG 44 9.531 9.039 11.232 319 2HH1 ARG 44 1HH2 ARG 44 10.553 10.402 11.545 320 HH2 ARG 44 HH1 ARG 44 9.671 12.615 11.284 321 H LYS 45 H LYS 45 3.833 8.711 7.638 322 HA LYS 45 HA LYS 45 2.198 7.100 5.923 323 1HB LYS 45 1HB LYS 45 3.517 9.801 5.523 324 2HB LYS 45 2HB LYS 45 2.416 9.050 4.386 325 1HG LYS 45 1HG LYS 45 0.870 10.286 5.583 326 2HG LYS 45 2HG LYS 45 0.857 8.839 6.570 327 1HD LYS 45 1HD LYS 45 1.671 9.973 8.359 328 2HD LYS 45 2HD LYS 45 3.043 10.547 7.433 329 1HE LYS 45 1HE LYS 45 1.339 12.266 6.394 330 2HE LYS 45 2HE LYS 45 0.318 11.850 7.756 331 1HZ LYS 45 1HZ LYS 45 1.716 12.904 9.197 332 2HZ LYS 45 2HZ LYS 45 3.081 12.466 8.425 333 H CYS 46 H CYS 46 2.823 5.815 4.235 334 HA CYS 46 HA CYS 46 5.419 4.890 4.141 335 1HB CYS 46 1HB CYS 46 3.604 4.759 1.752 336 2HB CYS 46 2HB CYS 46 4.766 3.579 2.325 337 H GLY 47 H GLY 47 3.651 7.301 2.086 338 1HA GLY 47 1HA GLY 47 5.952 7.868 0.463 339 2HA GLY 47 2HA GLY 47 4.407 8.694 0.463 340 H THR 48 H THR 48 6.923 8.125 3.031 341 HA THR 48 HA THR 48 6.735 10.970 3.691 342 HB THR 48 HB THR 48 7.519 8.412 5.105 343 HG1 THR 48 HG1 THR 48 6.195 9.804 6.700 344 1HG2 THR 48 3HG2 THR 48 9.403 10.172 5.436 345 2HG2 THR 48 1HG2 THR 48 8.158 11.193 6.193 346 3HG2 THR 48 2HG2 THR 48 8.574 9.619 6.911 347 H ALA 49 H ALA 49 8.318 12.423 3.329 348 HA ALA 49 HA ALA 49 10.299 11.882 1.487 349 1HB ALA 49 2HB ALA 49 9.396 14.077 3.158 350 2HB ALA 49 3HB ALA 49 11.174 14.046 3.084 351 3HB ALA 49 1HB ALA 49 10.222 14.126 1.582 352 H GLY 50 H GLY 50 11.890 10.382 1.707 353 1HA GLY 50 1HA GLY 50 14.102 10.146 2.710 354 2HA GLY 50 2HA GLY 50 13.353 10.356 4.280 355 H CYS 51 H CYS 51 10.942 8.726 2.910 356 HA CYS 51 HA CYS 51 12.109 6.148 3.642 357 1HB CYS 51 1HB CYS 51 9.239 7.126 3.681 358 2HB CYS 51 2HB CYS 51 9.688 5.449 3.917 359 H HIS 52 H HIS 52 9.095 6.729 1.789 360 HA HIS 52 HA HIS 52 10.377 5.393 -0.478 361 1HB HIS 52 1HB HIS 52 7.499 5.406 0.460 362 2HB HIS 52 2HB HIS 52 8.003 4.775 -1.095 363 HD1 HIS 52 HD1 HIS 52 9.930 2.771 -0.904 364 HD2 HIS 52 HD2 HIS 52 7.580 3.560 2.480 365 HE1 HIS 52 HE1 HIS 52 10.123 0.716 0.596 366 H ASP 53 H ASP 53 11.245 7.648 -0.941 367 HA ASP 53 HA ASP 53 9.214 9.047 -2.485 368 1HB ASP 53 1HB ASP 53 10.100 10.124 -0.202 369 2HB ASP 53 2HB ASP 53 11.492 10.551 -1.178 370 H SER 54 H SER 54 10.262 7.631 -4.219 371 HA SER 54 HA SER 54 12.917 8.604 -4.914 372 1HB SER 54 1HB SER 54 12.484 6.090 -4.548 373 2HB SER 54 2HB SER 54 11.533 6.128 -6.019 374 HG SER 54 HG SER 54 14.321 6.892 -5.800 375 H MET 55 H MET 55 9.525 8.418 -5.845 376 HA MET 55 HA MET 55 8.396 9.095 -7.583 377 1HB MET 55 1HB MET 55 10.472 11.126 -7.029 378 2HB MET 55 2HB MET 55 9.951 11.198 -8.701 379 1HG MET 55 1HG MET 55 8.356 12.592 -7.717 380 2HG MET 55 2HG MET 55 7.506 11.061 -7.645 381 1HE MET 55 3HE MET 55 6.906 9.873 -6.031 382 2HE MET 55 1HE MET 55 8.035 9.485 -4.711 383 3HE MET 55 2HE MET 55 6.601 10.489 -4.390 384 H ASP 56 H ASP 56 10.266 6.929 -8.130 385 HA ASP 56 HA ASP 56 10.722 7.501 -10.951 386 1HB ASP 56 1HB ASP 56 12.516 6.275 -8.882 387 2HB ASP 56 2HB ASP 56 12.523 5.500 -10.455 388 H LYS 57 H LYS 57 8.386 6.546 -10.885 389 HA LYS 57 HA LYS 57 7.638 4.133 -9.994 390 1HB LYS 57 1HB LYS 57 6.008 5.430 -11.043 391 2HB LYS 57 2HB LYS 57 6.957 5.652 -12.498 392 1HG LYS 57 1HG LYS 57 6.385 2.804 -11.904 393 2HG LYS 57 2HG LYS 57 4.937 3.760 -12.156 394 1HD LYS 57 1HD LYS 57 6.699 4.621 -14.193 395 2HD LYS 57 2HD LYS 57 6.952 2.889 -14.110 396 1HE LYS 57 1HE LYS 57 4.444 2.558 -14.250 397 2HE LYS 57 2HE LYS 57 4.257 4.289 -14.448 398 1HZ LYS 57 1HZ LYS 57 4.912 2.407 -16.426 399 2HZ LYS 57 2HZ LYS 57 4.688 4.009 -16.619 400 H LYS 58 H LYS 58 9.376 4.736 -13.123 401 HA LYS 58 HA LYS 58 9.667 1.919 -13.555 402 1HB LYS 58 1HB LYS 58 10.819 2.572 -15.580 403 2HB LYS 58 2HB LYS 58 9.346 3.504 -15.409 404 1HG LYS 58 1HG LYS 58 11.143 5.134 -14.089 405 2HG LYS 58 2HG LYS 58 12.185 4.409 -15.297 406 1HD LYS 58 1HD LYS 58 10.113 4.999 -16.919 407 2HD LYS 58 2HD LYS 58 9.788 6.196 -15.681 408 1HE LYS 58 1HE LYS 58 11.244 7.451 -16.966 409 2HE LYS 58 2HE LYS 58 12.435 6.661 -15.953 410 1HZ LYS 58 1HZ LYS 58 12.916 5.113 -17.656 411 2HZ LYS 58 2HZ LYS 58 11.568 5.444 -18.509 412 H ASP 59 H ASP 59 10.602 1.864 -11.179 413 HA ASP 59 HA ASP 59 13.319 1.301 -11.500 414 1HB ASP 59 1HB ASP 59 13.403 3.825 -11.246 415 2HB ASP 59 2HB ASP 59 12.654 3.656 -9.670 416 H LYS 60 H LYS 60 12.579 -0.720 -10.574 417 HA LYS 60 HA LYS 60 11.248 -0.622 -8.005 418 1HB LYS 60 1HB LYS 60 10.854 -2.949 -8.312 419 2HB LYS 60 2HB LYS 60 10.534 -2.164 -9.845 420 1HG LYS 60 1HG LYS 60 13.356 -2.946 -9.637 421 2HG LYS 60 2HG LYS 60 12.303 -4.324 -9.383 422 1HD LYS 60 1HD LYS 60 11.027 -3.324 -11.523 423 2HD LYS 60 2HD LYS 60 12.580 -2.571 -11.826 424 1HE LYS 60 1HE LYS 60 13.595 -4.957 -11.463 425 2HE LYS 60 2HE LYS 60 11.951 -5.542 -11.629 426 1HZ LYS 60 1HZ LYS 60 11.882 -4.317 -13.803 427 2HZ LYS 60 2HZ LYS 60 13.472 -3.999 -13.657 428 H SER 61 H SER 61 12.111 -1.458 -6.053 429 HA SER 61 HA SER 61 14.482 -2.752 -5.799 430 1HB SER 61 1HB SER 61 14.942 -0.023 -6.522 431 2HB SER 61 2HB SER 61 15.363 -0.163 -4.827 432 HG SER 61 HG SER 61 16.541 -2.243 -5.659 433 H ALA 62 H ALA 62 13.186 0.293 -4.266 434 HA ALA 62 HA ALA 62 11.824 -1.023 -2.221 435 1HB ALA 62 2HB ALA 62 14.363 -1.518 -1.732 436 2HB ALA 62 3HB ALA 62 14.383 0.166 -1.154 437 3HB ALA 62 1HB ALA 62 13.288 -1.020 -0.403 438 H LYS 63 H LYS 63 13.872 1.824 -3.102 439 HA LYS 63 HA LYS 63 12.310 3.627 -1.569 440 1HB LYS 63 1HB LYS 63 13.646 5.348 -2.678 441 2HB LYS 63 2HB LYS 63 14.655 4.055 -2.061 442 1HG LYS 63 1HG LYS 63 14.138 3.114 -4.597 443 2HG LYS 63 2HG LYS 63 14.095 4.841 -4.887 444 1HD LYS 63 1HD LYS 63 16.382 4.214 -5.207 445 2HD LYS 63 2HD LYS 63 16.339 4.996 -3.640 446 1HE LYS 63 1HE LYS 63 15.997 2.597 -2.657 447 2HE LYS 63 2HE LYS 63 16.493 2.015 -4.234 448 1HZ LYS 63 1HZ LYS 63 18.329 3.979 -3.444 449 2HZ LYS 63 2HZ LYS 63 18.143 2.976 -2.174 450 H GLY 64 H GLY 64 11.622 1.843 -4.348 451 1HA GLY 64 1HA GLY 64 10.230 3.825 -5.869 452 2HA GLY 64 2HA GLY 64 10.167 2.084 -6.064 453 H TYR 65 H TYR 65 8.744 4.908 -4.452 454 HA TYR 65 HA TYR 65 7.062 3.737 -2.640 455 1HB TYR 65 1HB TYR 65 7.344 6.178 -2.972 456 2HB TYR 65 2HB TYR 65 6.805 6.063 -4.635 457 HD1 TYR 65 HD1 TYR 65 5.579 5.475 -1.142 458 HD2 TYR 65 HD2 TYR 65 4.584 6.559 -5.159 459 HE1 TYR 65 HE1 TYR 65 3.202 6.012 -0.416 460 HE2 TYR 65 HE2 TYR 65 2.211 7.093 -4.420 461 HH TYR 65 HH TYR 65 0.874 7.358 -2.724 462 H TYR 66 H TYR 66 6.629 4.116 -6.204 463 HA TYR 66 HA TYR 66 3.992 2.997 -6.121 464 1HB TYR 66 1HB TYR 66 4.481 4.541 -7.905 465 2HB TYR 66 2HB TYR 66 6.104 3.914 -8.118 466 HD1 TYR 66 HD1 TYR 66 6.381 1.608 -9.209 467 HD2 TYR 66 HD2 TYR 66 2.700 3.787 -9.266 468 HE1 TYR 66 HE1 TYR 66 5.575 0.207 -11.171 469 HE2 TYR 66 HE2 TYR 66 1.905 2.378 -11.228 470 HH TYR 66 HH TYR 66 3.956 0.521 -13.059 471 H HIS 67 H HIS 67 6.983 1.622 -5.590 472 HA HIS 67 HA HIS 67 6.359 -0.784 -7.112 473 1HB HIS 67 1HB HIS 67 8.551 -0.452 -7.549 474 2HB HIS 67 2HB HIS 67 8.821 0.491 -6.097 475 HD1 HIS 67 HD1 HIS 67 9.086 -2.964 -7.471 476 HD2 HIS 67 HD2 HIS 67 9.428 -1.063 -3.747 477 HE1 HIS 67 HE1 HIS 67 10.218 -4.640 -5.914 478 H VAL 68 H VAL 68 6.404 0.618 -3.879 479 HA VAL 68 HA VAL 68 6.167 -2.001 -2.645 480 HB VAL 68 HB VAL 68 5.980 -0.494 -0.568 481 1HG1 VAL 68 1HG1 VAL 68 8.015 -1.800 -1.505 482 2HG1 VAL 68 2HG1 VAL 68 8.608 -0.203 -2.020 483 3HG1 VAL 68 3HG1 VAL 68 8.302 -0.525 -0.297 484 1HG2 VAL 68 2HG2 VAL 68 5.478 1.562 -2.008 485 2HG2 VAL 68 3HG2 VAL 68 6.678 1.759 -0.709 486 3HG2 VAL 68 1HG2 VAL 68 7.215 1.577 -2.395 487 H MET 69 H MET 69 4.158 -0.305 -4.506 488 HA MET 69 HA MET 69 1.893 -0.760 -2.720 489 1HB MET 69 1HB MET 69 2.140 1.189 -5.079 490 2HB MET 69 2HB MET 69 0.729 1.025 -4.053 491 1HG MET 69 1HG MET 69 3.435 1.671 -2.831 492 2HG MET 69 2HG MET 69 2.465 2.944 -3.545 493 1HE MET 69 2HE MET 69 3.561 2.698 -0.804 494 2HE MET 69 3HE MET 69 2.328 2.748 0.479 495 3HE MET 69 1HE MET 69 3.009 1.188 -0.042 496 H HIS 70 H HIS 70 3.552 -1.748 -5.551 497 HA HIS 70 HA HIS 70 1.178 -3.235 -6.378 498 1HB HIS 70 1HB HIS 70 3.144 -2.060 -8.351 499 2HB HIS 70 2HB HIS 70 1.624 -2.861 -8.695 500 HD1 HIS 70 HD1 HIS 70 2.942 0.359 -7.124 501 HD2 HIS 70 HD2 HIS 70 -0.578 -1.196 -8.795 502 HE1 HIS 70 HE1 HIS 70 1.317 2.317 -7.318 503 H ASP 71 H ASP 71 4.742 -2.899 -7.045 504 HA ASP 71 HA ASP 71 5.338 -5.312 -7.872 505 1HB ASP 71 1HB ASP 71 6.806 -3.242 -6.948 506 2HB ASP 71 2HB ASP 71 7.014 -4.309 -5.573 507 H LYS 72 H LYS 72 5.346 -7.450 -7.065 508 HA LYS 72 HA LYS 72 4.436 -7.753 -4.299 509 1HB LYS 72 1HB LYS 72 4.362 -9.834 -6.494 510 2HB LYS 72 2HB LYS 72 3.528 -9.864 -4.954 511 1HG LYS 72 1HG LYS 72 1.760 -8.847 -5.942 512 2HG LYS 72 2HG LYS 72 2.747 -7.413 -6.152 513 1HD LYS 72 1HD LYS 72 1.953 -7.990 -8.346 514 2HD LYS 72 2HD LYS 72 3.643 -8.453 -8.312 515 1HE LYS 72 1HE LYS 72 2.245 -10.727 -7.342 516 2HE LYS 72 2HE LYS 72 1.275 -10.138 -8.677 517 1HZ LYS 72 1HZ LYS 72 3.439 -10.066 -9.975 518 2HZ LYS 72 2HZ LYS 72 4.134 -10.907 -8.766 519 H ASN 73 H ASN 73 7.072 -8.353 -6.569 520 HA ASN 73 HA ASN 73 8.300 -10.322 -4.963 521 1HB ASN 73 1HB ASN 73 9.448 -8.522 -7.163 522 2HB ASN 73 2HB ASN 73 10.274 -9.914 -6.490 523 1HD2 ASN 73 2HD2 ASN 73 8.551 -10.835 -9.680 524 2HD2 ASN 73 1HD2 ASN 73 9.691 -9.629 -9.185 525 H THR 74 H THR 74 7.864 -8.641 -3.002 526 HA THR 74 HA THR 74 10.326 -7.053 -2.697 527 HB THR 74 HB THR 74 8.877 -5.462 -1.366 528 HG1 THR 74 HG1 THR 74 6.793 -6.160 -1.032 529 1HG2 THR 74 2HG2 THR 74 8.910 -5.750 -4.203 530 2HG2 THR 74 3HG2 THR 74 7.200 -5.521 -3.762 531 3HG2 THR 74 1HG2 THR 74 8.413 -4.308 -3.285 532 H LYS 75 H LYS 75 11.090 -6.807 -0.470 533 HA LYS 75 HA LYS 75 11.107 -9.303 0.821 534 1HB LYS 75 1HB LYS 75 13.015 -7.816 0.888 535 2HB LYS 75 2HB LYS 75 12.080 -6.565 1.681 536 1HG LYS 75 1HG LYS 75 11.889 -7.826 3.711 537 2HG LYS 75 2HG LYS 75 12.346 -9.325 2.927 538 1HD LYS 75 1HD LYS 75 14.636 -8.734 2.816 539 2HD LYS 75 2HD LYS 75 14.305 -7.017 2.936 540 1HE LYS 75 1HE LYS 75 14.465 -7.071 5.202 541 2HE LYS 75 2HE LYS 75 13.285 -8.363 5.310 542 1HZ LYS 75 1HZ LYS 75 15.697 -9.435 4.324 543 2HZ LYS 75 2HZ LYS 75 16.048 -8.575 5.662 544 H PHE 76 H PHE 76 9.001 -6.495 0.994 545 HA PHE 76 HA PHE 76 7.705 -7.703 3.346 546 1HB PHE 76 1HB PHE 76 7.912 -4.829 2.250 547 2HB PHE 76 2HB PHE 76 6.890 -5.255 3.609 548 HD1 PHE 76 HD2 PHE 76 8.172 -6.541 5.583 549 HD2 PHE 76 HD1 PHE 76 10.034 -3.995 2.693 550 HE1 PHE 76 HE2 PHE 76 10.129 -6.167 7.162 551 HE2 PHE 76 HE1 PHE 76 11.984 -3.629 4.282 552 HZ PHE 76 HZ PHE 76 11.948 -4.803 6.536 553 H LYS 77 H LYS 77 5.329 -7.506 3.426 554 HA LYS 77 HA LYS 77 4.174 -8.255 0.983 555 1HB LYS 77 1HB LYS 77 3.211 -7.713 3.762 556 2HB LYS 77 2HB LYS 77 2.021 -7.761 2.477 557 1HG LYS 77 1HG LYS 77 3.561 -9.986 1.872 558 2HG LYS 77 2HG LYS 77 3.658 -9.966 3.622 559 1HD LYS 77 1HD LYS 77 1.518 -10.696 3.826 560 2HD LYS 77 2HD LYS 77 0.919 -9.416 2.791 561 1HE LYS 77 1HE LYS 77 1.468 -10.732 0.771 562 2HE LYS 77 2HE LYS 77 2.207 -11.984 1.750 563 1HZ LYS 77 1HZ LYS 77 0.068 -12.792 1.453 564 2HZ LYS 77 2HZ LYS 77 -0.134 -12.028 2.877 565 H SER 78 H SER 78 3.378 -7.075 -0.679 566 HA SER 78 HA SER 78 3.279 -4.211 -0.246 567 1HB SER 78 1HB SER 78 3.608 -3.953 -2.578 568 2HB SER 78 2HB SER 78 4.622 -5.318 -2.156 569 HG SER 78 HG SER 78 3.495 -5.978 -3.968 570 H CYS 79 H CYS 79 1.429 -2.975 -1.256 571 HA CYS 79 HA CYS 79 -0.976 -3.719 -0.340 572 1HB CYS 79 1HB CYS 79 -0.547 -2.158 -2.895 573 2HB CYS 79 2HB CYS 79 -1.974 -2.126 -1.877 574 H VAL 80 H VAL 80 -0.053 -3.953 -3.862 575 HA VAL 80 HA VAL 80 -2.181 -5.666 -4.490 576 HB VAL 80 HB VAL 80 0.447 -5.095 -5.872 577 1HG1 VAL 80 1HG1 VAL 80 -1.678 -6.998 -6.506 578 2HG1 VAL 80 2HG1 VAL 80 -1.411 -5.818 -7.812 579 3HG1 VAL 80 3HG1 VAL 80 -0.058 -6.812 -7.219 580 1HG2 VAL 80 1HG2 VAL 80 -1.242 -3.203 -5.417 581 2HG2 VAL 80 2HG2 VAL 80 -0.669 -3.422 -7.088 582 3HG2 VAL 80 3HG2 VAL 80 -2.277 -4.019 -6.614 583 H GLY 81 H GLY 81 1.168 -6.200 -3.358 584 1HA GLY 81 1HA GLY 81 1.521 -8.863 -3.963 585 2HA GLY 81 2HA GLY 81 2.173 -8.045 -2.557 586 H CYS 82 H CYS 82 0.229 -7.522 -0.830 587 HA CYS 82 HA CYS 82 -0.496 -10.031 0.145 588 1HB CYS 82 1HB CYS 82 -0.125 -8.049 1.573 589 2HB CYS 82 2HB CYS 82 -1.568 -7.298 0.922 590 H HIS 83 H HIS 83 -2.293 -7.409 -1.592 591 HA HIS 83 HA HIS 83 -4.810 -8.476 -1.454 592 1HB HIS 83 1HB HIS 83 -3.393 -6.730 -3.448 593 2HB HIS 83 2HB HIS 83 -5.026 -7.275 -3.777 594 HD1 HIS 83 HD1 HIS 83 -5.939 -4.835 -3.572 595 HD2 HIS 83 HD2 HIS 83 -4.156 -6.319 -0.077 596 HE1 HIS 83 HE1 HIS 83 -6.585 -3.225 -1.700 597 H VAL 84 H VAL 84 -2.132 -9.195 -3.763 598 HA VAL 84 HA VAL 84 -3.567 -10.828 -5.477 599 HB VAL 84 HB VAL 84 -0.671 -10.780 -4.628 600 1HG1 VAL 84 1HG1 VAL 84 -2.041 -12.836 -6.090 601 2HG1 VAL 84 2HG1 VAL 84 -0.941 -11.975 -7.193 602 3HG1 VAL 84 3HG1 VAL 84 -0.310 -12.703 -5.696 603 1HG2 VAL 84 2HG2 VAL 84 -2.140 -8.990 -6.132 604 2HG2 VAL 84 3HG2 VAL 84 -0.371 -9.185 -6.181 605 3HG2 VAL 84 1HG2 VAL 84 -1.392 -10.024 -7.373 606 H GLU 85 H GLU 85 -2.066 -11.466 -2.284 607 HA GLU 85 HA GLU 85 -2.479 -14.254 -2.478 608 1HB GLU 85 1HB GLU 85 -1.404 -12.328 -0.504 609 2HB GLU 85 2HB GLU 85 -2.222 -13.690 0.235 610 1HG GLU 85 1HG GLU 85 -0.596 -14.685 -1.944 611 2HG GLU 85 2HG GLU 85 0.395 -13.627 -0.958 612 H VAL 86 H VAL 86 -4.326 -11.448 -1.287 613 HA VAL 86 HA VAL 86 -6.229 -13.019 0.139 614 HB VAL 86 HB VAL 86 -6.267 -10.162 -0.853 615 1HG1 VAL 86 1HG1 VAL 86 -8.210 -11.771 0.761 616 2HG1 VAL 86 2HG1 VAL 86 -7.954 -10.064 1.193 617 3HG1 VAL 86 3HG1 VAL 86 -8.503 -10.495 -0.444 618 1HG2 VAL 86 2HG2 VAL 86 -4.808 -11.435 1.256 619 2HG2 VAL 86 3HG2 VAL 86 -4.855 -9.712 0.811 620 3HG2 VAL 86 1HG2 VAL 86 -6.029 -10.361 1.980 621 H ALA 87 H ALA 87 -6.185 -11.290 -3.051 622 HA ALA 87 HA ALA 87 -8.753 -12.278 -3.764 623 1HB ALA 87 1HB ALA 87 -6.494 -10.942 -5.300 624 2HB ALA 87 2HB ALA 87 -8.071 -11.347 -6.020 625 3HB ALA 87 3HB ALA 87 -7.979 -10.186 -4.674 626 H GLY 88 H GLY 88 -5.649 -13.701 -3.527 627 1HA GLY 88 1HA GLY 88 -5.167 -15.274 -5.619 628 2HA GLY 88 2HA GLY 88 -5.070 -15.857 -3.970 629 H ALA 89 H ALA 89 -6.396 -16.509 -6.963 630 HA ALA 89 HA ALA 89 -8.211 -17.593 -7.705 631 1HB ALA 89 1HB ALA 89 -7.341 -19.199 -5.274 632 2HB ALA 89 2HB ALA 89 -8.509 -19.798 -6.477 633 3HB ALA 89 3HB ALA 89 -6.840 -19.424 -6.968 634 H ASP 90 H ASP 90 -9.884 -16.040 -7.476 635 HA ASP 90 HA ASP 90 -11.880 -16.846 -5.649 636 1HB ASP 90 1HB ASP 90 -10.228 -15.183 -4.406 637 2HB ASP 90 2HB ASP 90 -11.020 -13.951 -5.369 638 H ALA 91 H ALA 91 -10.519 -14.293 -7.826 639 HA ALA 91 HA ALA 91 -11.352 -13.348 -9.658 640 1HB ALA 91 3HB ALA 91 -12.930 -15.714 -9.396 641 2HB ALA 91 1HB ALA 91 -14.031 -14.383 -9.825 642 3HB ALA 91 2HB ALA 91 -12.630 -14.747 -10.861 643 H ALA 92 H ALA 92 -12.483 -11.402 -10.066 644 HA ALA 92 HA ALA 92 -13.911 -9.717 -9.671 645 1HB ALA 92 1HB ALA 92 -15.286 -11.734 -8.475 646 2HB ALA 92 2HB ALA 92 -14.929 -10.718 -7.057 647 3HB ALA 92 3HB ALA 92 -15.811 -10.033 -8.443 648 H LYS 93 H LYS 93 -12.372 -11.156 -6.722 649 HA LYS 93 HA LYS 93 -11.912 -8.596 -5.566 650 1HB LYS 93 1HB LYS 93 -10.911 -11.378 -4.905 651 2HB LYS 93 2HB LYS 93 -10.508 -9.957 -3.963 652 1HG LYS 93 1HG LYS 93 -13.385 -10.033 -4.458 653 2HG LYS 93 2HG LYS 93 -12.861 -11.555 -3.766 654 1HD LYS 93 1HD LYS 93 -11.945 -10.490 -1.818 655 2HD LYS 93 2HD LYS 93 -11.962 -8.907 -2.570 656 1HE LYS 93 1HE LYS 93 -14.657 -10.035 -2.573 657 2HE LYS 93 2HE LYS 93 -13.998 -10.072 -0.950 658 1HZ LYS 93 1HZ LYS 93 -14.289 -7.692 -2.691 659 2HZ LYS 93 2HZ LYS 93 -14.974 -7.940 -1.235 660 H LYS 94 H LYS 94 -10.019 -10.946 -7.523 661 HA LYS 94 HA LYS 94 -7.574 -9.593 -7.273 662 1HB LYS 94 1HB LYS 94 -8.548 -11.951 -8.475 663 2HB LYS 94 2HB LYS 94 -7.845 -11.017 -9.780 664 1HG LYS 94 1HG LYS 94 -5.756 -10.712 -8.404 665 2HG LYS 94 2HG LYS 94 -6.460 -11.706 -7.145 666 1HD LYS 94 1HD LYS 94 -6.795 -13.303 -9.406 667 2HD LYS 94 2HD LYS 94 -5.266 -12.513 -9.737 668 1HE LYS 94 1HE LYS 94 -5.674 -13.622 -6.965 669 2HE LYS 94 2HE LYS 94 -5.426 -14.773 -8.262 670 1HZ LYS 94 1HZ LYS 94 -3.258 -14.304 -7.744 671 2HZ LYS 94 2HZ LYS 94 -3.462 -13.087 -8.807 672 H LYS 95 H LYS 95 -10.506 -8.661 -8.736 673 HA LYS 95 HA LYS 95 -9.067 -6.888 -10.582 674 1HB LYS 95 1HB LYS 95 -11.095 -8.654 -11.153 675 2HB LYS 95 2HB LYS 95 -11.984 -7.164 -10.905 676 1HG LYS 95 1HG LYS 95 -10.836 -6.029 -12.647 677 2HG LYS 95 2HG LYS 95 -9.479 -7.138 -12.613 678 1HD LYS 95 1HD LYS 95 -12.000 -8.536 -13.209 679 2HD LYS 95 2HD LYS 95 -11.693 -7.248 -14.357 680 1HE LYS 95 1HE LYS 95 -9.534 -9.262 -13.604 681 2HE LYS 95 2HE LYS 95 -10.685 -9.585 -14.886 682 1HZ LYS 95 1HZ LYS 95 -8.396 -7.929 -14.989 683 2HZ LYS 95 2HZ LYS 95 -9.378 -8.357 -16.216 684 H ASP 96 H ASP 96 -10.529 -7.082 -7.536 685 HA ASP 96 HA ASP 96 -11.166 -4.239 -7.676 686 1HB ASP 96 1HB ASP 96 -12.663 -6.517 -6.631 687 2HB ASP 96 2HB ASP 96 -12.334 -5.384 -5.335 688 H LEU 97 H LEU 97 -8.841 -6.404 -6.787 689 HA LEU 97 HA LEU 97 -8.142 -4.877 -4.378 690 1HB LEU 97 1HB LEU 97 -7.939 -7.843 -4.873 691 2HB LEU 97 2HB LEU 97 -7.005 -7.026 -3.635 692 HG LEU 97 HG LEU 97 -9.987 -7.426 -3.788 693 1HD1 LEU 97 3HD1 LEU 97 -8.120 -8.956 -2.629 694 2HD1 LEU 97 1HD1 LEU 97 -8.407 -7.808 -1.299 695 3HD1 LEU 97 2HD1 LEU 97 -9.760 -8.754 -1.966 696 1HD2 LEU 97 1HD2 LEU 97 -8.510 -5.208 -2.457 697 2HD2 LEU 97 2HD2 LEU 97 -10.153 -5.254 -3.140 698 3HD2 LEU 97 3HD2 LEU 97 -9.829 -5.986 -1.550 699 H THR 98 H THR 98 -7.002 -6.864 -7.176 700 HA THR 98 HA THR 98 -4.511 -5.289 -7.087 701 HB THR 98 HB THR 98 -3.376 -7.268 -7.885 702 HG1 THR 98 HG1 THR 98 -5.069 -7.854 -9.424 703 1HG2 THR 98 3HG2 THR 98 -5.579 -8.156 -5.948 704 2HG2 THR 98 1HG2 THR 98 -4.142 -9.124 -6.353 705 3HG2 THR 98 2HG2 THR 98 -3.958 -7.576 -5.495 706 H GLY 99 H GLY 99 -7.410 -5.174 -8.487 707 1HA GLY 99 1HA GLY 99 -6.957 -5.341 -11.245 708 2HA GLY 99 2HA GLY 99 -8.195 -4.396 -10.442 709 H CYS 100 H CYS 100 -6.487 -3.730 -12.825 710 HA CYS 100 HA CYS 100 -4.702 -1.703 -11.844 711 1HB CYS 100 1HB CYS 100 -5.391 -2.834 -14.525 712 2HB CYS 100 2HB CYS 100 -4.656 -1.245 -14.446 713 H LYS 101 H LYS 101 -7.656 -1.872 -13.975 714 HA LYS 101 HA LYS 101 -8.308 0.833 -13.031 715 1HB LYS 101 1HB LYS 101 -7.550 0.893 -15.356 716 2HB LYS 101 2HB LYS 101 -8.718 -0.336 -15.799 717 1HG LYS 101 1HG LYS 101 -9.786 2.091 -14.383 718 2HG LYS 101 2HG LYS 101 -9.224 2.324 -16.026 719 1HD LYS 101 1HD LYS 101 -10.694 0.006 -16.314 720 2HD LYS 101 2HD LYS 101 -11.585 0.798 -15.029 721 1HE LYS 101 1HE LYS 101 -12.599 1.625 -17.016 722 2HE LYS 101 2HE LYS 101 -11.540 2.928 -16.513 723 1HZ LYS 101 1HZ LYS 101 -11.474 1.936 -18.964 724 2HZ LYS 101 2HZ LYS 101 -10.136 2.547 -18.267 725 H LYS 102 H LYS 102 -10.426 1.201 -12.365 726 HA LYS 102 HA LYS 102 -12.513 0.747 -11.778 727 1HB LYS 102 1HB LYS 102 -12.158 -0.945 -14.096 728 2HB LYS 102 2HB LYS 102 -13.180 -1.748 -12.922 729 1HG LYS 102 1HG LYS 102 -14.173 0.840 -12.828 730 2HG LYS 102 2HG LYS 102 -13.698 0.715 -14.510 731 1HD LYS 102 1HD LYS 102 -14.955 -1.585 -14.488 732 2HD LYS 102 2HD LYS 102 -15.671 -1.028 -12.988 733 1HE LYS 102 1HE LYS 102 -17.255 -0.192 -14.461 734 2HE LYS 102 2HE LYS 102 -16.166 1.181 -14.440 735 1HZ LYS 102 1HZ LYS 102 -15.837 -0.991 -16.425 736 2HZ LYS 102 2HZ LYS 102 -16.822 0.274 -16.713 737 H SER 103 H SER 103 -10.345 0.140 -10.113 738 HA SER 103 HA SER 103 -11.288 -2.331 -8.881 739 1HB SER 103 1HB SER 103 -8.830 -1.931 -7.736 740 2HB SER 103 2HB SER 103 -9.110 -2.948 -9.135 741 HG SER 103 HG SER 103 -8.448 -0.131 -9.278 742 H LYS 104 H LYS 104 -10.216 -2.104 -6.338 743 HA LYS 104 HA LYS 104 -11.896 -0.089 -5.217 744 1HB LYS 104 1HB LYS 104 -10.067 -2.203 -4.071 745 2HB LYS 104 2HB LYS 104 -10.868 -1.023 -3.053 746 1HG LYS 104 1HG LYS 104 -12.571 -2.461 -5.075 747 2HG LYS 104 2HG LYS 104 -12.006 -3.395 -3.704 748 1HD LYS 104 1HD LYS 104 -12.852 -1.286 -2.301 749 2HD LYS 104 2HD LYS 104 -13.818 -0.972 -3.729 750 1HE LYS 104 1HE LYS 104 -13.792 -3.675 -2.310 751 2HE LYS 104 2HE LYS 104 -14.940 -2.409 -1.922 752 1HZ LYS 104 1HZ LYS 104 -15.779 -4.005 -3.605 753 2HZ LYS 104 2HZ LYS 104 -15.763 -2.483 -4.184 754 H CYS 105 H CYS 105 -8.469 -0.452 -6.037 755 HA CYS 105 HA CYS 105 -7.710 1.793 -4.419 756 1HB CYS 105 1HB CYS 105 -6.097 0.308 -6.519 757 2HB CYS 105 2HB CYS 105 -5.475 1.438 -5.334 758 H HIS 106 H HIS 106 -7.480 1.027 -7.979 759 HA HIS 106 HA HIS 106 -7.684 3.876 -8.504 760 1HB HIS 106 1HB HIS 106 -6.965 1.535 -10.289 761 2HB HIS 106 2HB HIS 106 -7.047 3.202 -10.825 762 HD1 HIS 106 HD1 HIS 106 -5.452 4.852 -9.055 763 HD2 HIS 106 HD2 HIS 106 -4.402 0.844 -9.705 764 HE1 HIS 106 HE1 HIS 106 -2.984 4.651 -8.439 765 H GLU 107 H GLU 107 -9.334 4.803 -9.785 766 HA GLU 107 HA GLU 107 -11.462 2.978 -10.540 767 1HB GLU 107 1HB GLU 107 -11.762 5.486 -8.841 768 2HB GLU 107 2HB GLU 107 -13.114 4.756 -9.684 769 1HG GLU 107 1HG GLU 107 -12.108 2.533 -8.455 770 2HG GLU 107 2HG GLU 107 -11.588 3.750 -7.307 771 HHA HEC 108 HHA HEC 108 -0.850 6.566 7.576 772 HHB HEC 108 HHB HEC 108 -1.655 3.874 13.340 773 HHC HEC 108 HHC HEC 108 -2.532 -1.836 10.570 774 HHD HEC 108 HHD HEC 108 -1.064 0.773 4.837 775 1HMA HEC 108 1HMA HEC 108 -1.684 7.497 12.772 776 2HMA HEC 108 2HMA HEC 108 -1.722 5.906 13.570 777 3HMA HEC 108 3HMA HEC 108 -0.162 6.669 13.178 778 1HAA HEC 108 1HAA HEC 108 -0.410 7.944 8.934 779 2HAA HEC 108 2HAA HEC 108 -1.605 8.450 10.153 780 1HBA HEC 108 1HBA HEC 108 0.456 7.957 11.784 781 2HBA HEC 108 2HBA HEC 108 1.359 8.348 10.301 782 1HMB HEC 108 1HMB HEC 108 -2.205 2.609 14.762 783 2HMB HEC 108 2HMB HEC 108 -3.740 1.708 14.755 784 3HMB HEC 108 3HMB HEC 108 -2.227 0.887 15.209 785 HAB HEC 108 HAB HEC 108 -3.291 -1.953 12.412 786 1HBB HEC 108 1HBB HEC 108 -4.097 -0.730 15.020 787 2HBB HEC 108 2HBB HEC 108 -5.010 -0.326 13.546 788 3HBB HEC 108 3HBB HEC 108 -4.870 -2.021 14.070 789 1HMC HEC 108 1HMC HEC 108 -3.671 -3.250 7.957 790 2HMC HEC 108 2HMC HEC 108 -2.072 -3.786 7.385 791 3HMC HEC 108 3HMC HEC 108 -2.312 -3.374 9.100 792 HAC HEC 108 HAC HEC 108 -1.991 -1.100 4.474 793 1HBC HEC 108 1HBC HEC 108 -3.712 -2.746 5.654 794 2HBC HEC 108 2HBC HEC 108 -3.074 -3.044 4.019 795 3HBC HEC 108 3HBC HEC 108 -2.376 -3.898 5.416 796 1HMD HEC 108 1HMD HEC 108 0.104 2.169 3.527 797 2HMD HEC 108 2HMD HEC 108 -1.400 3.005 3.069 798 3HMD HEC 108 3HMD HEC 108 0.140 3.898 3.106 799 1HAD HEC 108 1HAD HEC 108 -0.623 6.810 5.578 800 2HAD HEC 108 2HAD HEC 108 0.823 6.069 4.850 801 1HBD HEC 108 1HBD HEC 108 -1.495 5.325 3.327 802 2HBD HEC 108 2HBD HEC 108 -1.462 7.090 3.552 803 HHA HEC 109 HHA HEC 109 11.722 -2.193 1.653 804 HHB HEC 109 HHB HEC 109 5.352 -1.534 1.333 805 HHC HEC 109 HHC HEC 109 5.643 3.305 5.528 806 HHD HEC 109 HHD HEC 109 12.106 3.284 4.964 807 1HMA HEC 109 1HMA HEC 109 6.129 -3.937 0.860 808 2HMA HEC 109 2HMA HEC 109 6.292 -2.919 -0.591 809 3HMA HEC 109 3HMA HEC 109 7.368 -4.318 -0.360 810 1HAA HEC 109 1HAA HEC 109 10.993 -3.817 0.716 811 2HAA HEC 109 2HAA HEC 109 9.540 -4.755 0.297 812 1HBA HEC 109 1HBA HEC 109 9.314 -3.403 -1.769 813 2HBA HEC 109 2HBA HEC 109 10.839 -2.582 -1.360 814 1HMB HEC 109 1HMB HEC 109 3.467 -0.862 1.631 815 2HMB HEC 109 2HMB HEC 109 2.858 -1.071 3.290 816 3HMB HEC 109 3HMB HEC 109 2.441 0.392 2.367 817 HAB HEC 109 HAB HEC 109 3.745 2.755 5.391 818 1HBB HEC 109 1HBB HEC 109 2.815 0.480 5.900 819 2HBB HEC 109 2HBB HEC 109 1.615 1.792 5.821 820 3HBB HEC 109 3HBB HEC 109 1.781 0.654 4.462 821 1HMC HEC 109 1HMC HEC 109 8.093 5.778 7.297 822 2HMC HEC 109 2HMC HEC 109 6.907 5.752 5.970 823 3HMC HEC 109 3HMC HEC 109 6.752 4.609 7.326 824 HAC HEC 109 HAC HEC 109 11.646 4.819 6.084 825 1HBC HEC 109 1HBC HEC 109 10.335 4.282 8.319 826 2HBC HEC 109 2HBC HEC 109 11.594 5.538 8.244 827 3HBC HEC 109 3HBC HEC 109 9.875 5.995 8.175 828 1HMD HEC 109 1HMD HEC 109 13.935 2.626 4.729 829 2HMD HEC 109 2HMD HEC 109 14.871 1.118 4.595 830 3HMD HEC 109 3HMD HEC 109 14.737 2.210 3.195 831 1HAD HEC 109 1HAD HEC 109 13.678 -1.887 2.142 832 2HAD HEC 109 2HAD HEC 109 14.381 -0.429 1.401 833 1HBD HEC 109 1HBD HEC 109 14.908 -0.854 4.295 834 2HBD HEC 109 2HBD HEC 109 15.696 -1.961 3.146 835 HHA HEC 110 HHA HEC 110 -10.172 -4.740 0.884 836 HHB HEC 110 HHB HEC 110 -6.337 0.111 -0.811 837 HHC HEC 110 HHC HEC 110 -1.419 -2.793 2.090 838 HHD HEC 110 HHD HEC 110 -5.118 -7.948 3.171 839 1HMA HEC 110 1HMA HEC 110 -8.364 0.739 -0.986 840 2HMA HEC 110 2HMA HEC 110 -8.923 -0.227 -2.373 841 3HMA HEC 110 3HMA HEC 110 -10.056 0.193 -1.066 842 1HAA HEC 110 1HAA HEC 110 -11.155 -2.226 -1.496 843 2HAA HEC 110 2HAA HEC 110 -11.229 -3.532 -0.289 844 1HBA HEC 110 1HBA HEC 110 -11.211 -1.279 1.284 845 2HBA HEC 110 2HBA HEC 110 -12.150 -0.758 -0.135 846 1HMB HEC 110 1HMB HEC 110 -2.782 1.145 -1.271 847 2HMB HEC 110 2HMB HEC 110 -4.526 0.963 -1.581 848 3HMB HEC 110 3HMB HEC 110 -3.965 1.795 -0.110 849 HAB HEC 110 HAB HEC 110 -0.710 -1.138 1.231 850 1HBB HEC 110 1HBB HEC 110 -1.107 1.607 0.154 851 2HBB HEC 110 2HBB HEC 110 -1.888 1.202 1.702 852 3HBB HEC 110 3HBB HEC 110 -0.125 1.034 1.523 853 1HMC HEC 110 1HMC HEC 110 -0.177 -4.372 2.522 854 2HMC HEC 110 2HMC HEC 110 -0.256 -5.554 3.850 855 3HMC HEC 110 3HMC HEC 110 -0.009 -6.110 2.177 856 HAC HEC 110 HAC HEC 110 -3.201 -8.165 4.222 857 1HBC HEC 110 1HBC HEC 110 -1.194 -6.986 5.113 858 2HBC HEC 110 2HBC HEC 110 -0.970 -8.735 4.870 859 3HBC HEC 110 3HBC HEC 110 -0.279 -7.579 3.706 860 1HMD HEC 110 1HMD HEC 110 -8.011 -8.494 4.509 861 2HMD HEC 110 2HMD HEC 110 -8.452 -9.351 3.013 862 3HMD HEC 110 3HMD HEC 110 -6.738 -9.104 3.425 863 1HAD HEC 110 1HAD HEC 110 -10.349 -8.067 2.763 864 2HAD HEC 110 2HAD HEC 110 -10.797 -6.351 2.919 865 1HBD HEC 110 1HBD HEC 110 -10.241 -6.895 0.169 866 2HBD HEC 110 2HBD HEC 110 -11.349 -8.141 0.792 867 HHA HEC 111 HHA HEC 111 0.403 5.648 -7.695 868 HHB HEC 111 HHB HEC 111 -0.545 2.140 -12.978 869 HHC HEC 111 HHC HEC 111 -3.232 -2.489 -9.455 870 HHD HEC 111 HHD HEC 111 -3.043 1.444 -4.301 871 1HMA HEC 111 1HMA HEC 111 0.003 4.915 -13.408 872 2HMA HEC 111 2HMA HEC 111 1.646 5.235 -12.803 873 3HMA HEC 111 3HMA HEC 111 1.187 3.590 -13.305 874 1HAA HEC 111 1HAA HEC 111 0.667 7.044 -10.737 875 2HAA HEC 111 2HAA HEC 111 1.322 6.559 -9.155 876 1HBA HEC 111 1HBA HEC 111 3.371 6.505 -9.990 877 2HBA HEC 111 2HBA HEC 111 2.875 5.335 -11.236 878 1HMB HEC 111 1HMB HEC 111 -1.774 -0.836 -14.410 879 2HMB HEC 111 2HMB HEC 111 -0.682 0.542 -14.131 880 3HMB HEC 111 3HMB HEC 111 -0.108 -1.120 -13.851 881 HAB HEC 111 HAB HEC 111 -3.284 -3.053 -11.506 882 1HBB HEC 111 1HBB HEC 111 -1.118 -4.325 -12.708 883 2HBB HEC 111 2HBB HEC 111 -0.390 -3.250 -11.490 884 3HBB HEC 111 3HBB HEC 111 -1.624 -4.438 -11.005 885 1HMC HEC 111 1HMC HEC 111 -5.619 -2.722 -6.831 886 2HMC HEC 111 2HMC HEC 111 -4.374 -3.286 -7.972 887 3HMC HEC 111 3HMC HEC 111 -4.165 -3.552 -6.224 888 HAC HEC 111 HAC HEC 111 -3.849 -0.303 -3.703 889 1HBC HEC 111 1HBC HEC 111 -3.980 -2.365 -2.820 890 2HBC HEC 111 2HBC HEC 111 -5.069 -2.963 -4.093 891 3HBC HEC 111 3HBC HEC 111 -3.318 -2.864 -4.395 892 1HMD HEC 111 1HMD HEC 111 -1.850 4.604 -2.950 893 2HMD HEC 111 2HMD HEC 111 -2.554 2.973 -3.074 894 3HMD HEC 111 3HMD HEC 111 -0.813 3.170 -2.757 895 1HAD HEC 111 1HAD HEC 111 0.517 5.480 -4.047 896 2HAD HEC 111 2HAD HEC 111 0.739 6.027 -5.726 897 1HBD HEC 111 1HBD HEC 111 -1.701 6.909 -5.483 898 2HBD HEC 111 2HBD HEC 111 -1.374 6.780 -3.738 No H/Q in entry = 898 Start of MODEL 3 1 1H ALA 1 1H ALA 1 2.595 4.638 20.625 2 2H ALA 1 2H ALA 1 2.940 3.093 21.110 3 HA ALA 1 HA ALA 1 1.709 3.095 18.613 4 1HB ALA 1 2HB ALA 1 1.854 1.553 21.009 5 2HB ALA 1 3HB ALA 1 0.136 1.912 20.716 6 3HB ALA 1 1HB ALA 1 1.103 1.106 19.458 7 HA PRO 2 HA PRO 2 -0.789 6.586 19.765 8 1HB PRO 2 1HB PRO 2 -1.220 7.505 17.228 9 2HB PRO 2 2HB PRO 2 0.131 8.021 18.218 10 1HG PRO 2 1HG PRO 2 0.121 6.158 15.923 11 2HG PRO 2 2HG PRO 2 1.475 7.006 16.642 12 1HD PRO 2 1HD PRO 2 0.808 4.237 16.982 13 2HD PRO 2 2HD PRO 2 2.092 5.113 17.791 14 H LYS 3 H LYS 3 -1.952 5.740 16.595 15 HA LYS 3 HA LYS 3 -3.821 3.870 17.239 16 1HB LYS 3 1HB LYS 3 -4.487 6.302 18.538 17 2HB LYS 3 2HB LYS 3 -5.616 6.124 17.210 18 1HG LYS 3 1HG LYS 3 -5.561 3.542 18.185 19 2HG LYS 3 2HG LYS 3 -5.287 4.451 19.658 20 1HD LYS 3 1HD LYS 3 -7.311 5.913 18.955 21 2HD LYS 3 2HD LYS 3 -7.643 4.694 17.741 22 1HE LYS 3 1HE LYS 3 -8.879 3.710 19.405 23 2HE LYS 3 2HE LYS 3 -7.332 3.085 19.940 24 1HZ LYS 3 1HZ LYS 3 -7.399 5.543 21.082 25 2HZ LYS 3 2HZ LYS 3 -8.968 5.116 21.165 26 H ALA 4 H ALA 4 -5.390 3.544 15.474 27 HA ALA 4 HA ALA 4 -4.256 4.229 12.998 28 1HB ALA 4 3HB ALA 4 -5.874 2.268 13.871 29 2HB ALA 4 1HB ALA 4 -7.111 3.353 13.192 30 3HB ALA 4 2HB ALA 4 -5.797 2.743 12.158 31 HA PRO 5 HA PRO 5 -6.153 8.064 12.315 32 1HB PRO 5 1HB PRO 5 -5.742 8.321 9.625 33 2HB PRO 5 2HB PRO 5 -4.513 8.682 10.821 34 1HG PRO 5 1HG PRO 5 -4.728 6.337 9.034 35 2HG PRO 5 2HG PRO 5 -3.329 6.925 9.910 36 1HD PRO 5 1HD PRO 5 -4.968 4.675 10.605 37 2HD PRO 5 2HD PRO 5 -3.640 5.334 11.540 38 H ALA 6 H ALA 6 -7.896 9.248 11.174 39 HA ALA 6 HA ALA 6 -10.209 7.745 11.269 40 1HB ALA 6 1HB ALA 6 -9.429 10.389 10.028 41 2HB ALA 6 2HB ALA 6 -11.078 9.748 9.835 42 3HB ALA 6 3HB ALA 6 -10.436 10.074 11.462 43 H ASP 7 H ASP 7 -11.707 8.093 8.982 44 HA ASP 7 HA ASP 7 -10.348 6.236 7.225 45 1HB ASP 7 1HB ASP 7 -12.693 5.957 6.255 46 2HB ASP 7 2HB ASP 7 -12.506 5.448 7.921 47 H GLY 8 H GLY 8 -10.723 6.580 4.788 48 1HA GLY 8 1HA GLY 8 -11.090 7.901 2.944 49 2HA GLY 8 2HA GLY 8 -11.450 9.274 3.970 50 H LEU 9 H LEU 9 -8.564 7.292 4.580 51 HA LEU 9 HA LEU 9 -6.908 9.591 4.247 52 1HB LEU 9 1HB LEU 9 -6.373 8.178 6.030 53 2HB LEU 9 2HB LEU 9 -6.475 6.730 5.048 54 HG LEU 9 HG LEU 9 -4.158 7.836 5.812 55 1HD1 LEU 9 1HD1 LEU 9 -4.776 5.694 4.431 56 2HD1 LEU 9 2HD1 LEU 9 -4.215 6.670 3.052 57 3HD1 LEU 9 3HD1 LEU 9 -3.117 6.338 4.414 58 1HD2 LEU 9 1HD2 LEU 9 -4.911 9.878 4.314 59 2HD2 LEU 9 2HD2 LEU 9 -3.211 9.359 4.394 60 3HD2 LEU 9 3HD2 LEU 9 -4.224 8.878 3.012 61 H LYS 10 H LYS 10 -6.827 10.307 2.131 62 HA LYS 10 HA LYS 10 -6.115 8.304 0.120 63 1HB LYS 10 1HB LYS 10 -8.078 9.501 -0.488 64 2HB LYS 10 2HB LYS 10 -7.375 11.046 -0.055 65 1HG LYS 10 1HG LYS 10 -5.571 10.536 -1.868 66 2HG LYS 10 2HG LYS 10 -6.644 9.261 -2.409 67 1HD LYS 10 1HD LYS 10 -7.957 10.753 -3.501 68 2HD LYS 10 2HD LYS 10 -8.203 11.676 -2.032 69 1HE LYS 10 1HE LYS 10 -5.680 12.497 -2.583 70 2HE LYS 10 2HE LYS 10 -6.169 12.081 -4.214 71 1HZ LYS 10 1HZ LYS 10 -7.846 13.814 -2.492 72 2HZ LYS 10 2HZ LYS 10 -6.690 14.429 -3.461 73 H MET 11 H MET 11 -4.232 8.493 -1.128 74 HA MET 11 HA MET 11 -2.422 10.584 -0.192 75 1HB MET 11 1HB MET 11 -0.578 8.885 -0.540 76 2HB MET 11 2HB MET 11 -1.723 8.378 0.686 77 1HG MET 11 1HG MET 11 -2.738 7.440 -1.834 78 2HG MET 11 2HG MET 11 -1.030 7.049 -1.799 79 1HE MET 11 2HE MET 11 0.145 5.679 -0.169 80 2HE MET 11 3HE MET 11 -0.646 4.261 0.559 81 3HE MET 11 1HE MET 11 -0.709 4.508 -1.202 82 H GLU 12 H GLU 12 -2.070 12.025 -1.823 83 HA GLU 12 HA GLU 12 -2.084 10.935 -4.525 84 1HB GLU 12 1HB GLU 12 -3.792 12.725 -3.895 85 2HB GLU 12 2HB GLU 12 -2.458 13.845 -3.702 86 1HG GLU 12 1HG GLU 12 -2.694 12.268 -6.277 87 2HG GLU 12 2HG GLU 12 -3.733 13.657 -6.031 88 H ALA 13 H ALA 13 0.212 10.216 -3.881 89 HA ALA 13 HA ALA 13 2.096 12.449 -3.932 90 1HB ALA 13 1HB ALA 13 1.978 9.828 -2.690 91 2HB ALA 13 2HB ALA 13 3.449 9.980 -3.680 92 3HB ALA 13 3HB ALA 13 3.115 11.164 -2.395 93 H THR 14 H THR 14 0.457 10.336 -6.028 94 HA THR 14 HA THR 14 2.524 10.767 -8.069 95 HB THR 14 HB THR 14 2.334 8.476 -8.795 96 HG1 THR 14 HG1 THR 14 0.067 8.603 -6.942 97 1HG2 THR 14 2HG2 THR 14 2.071 8.392 -5.742 98 2HG2 THR 14 3HG2 THR 14 2.716 7.091 -6.772 99 3HG2 THR 14 1HG2 THR 14 3.602 8.627 -6.620 100 H LYS 15 H LYS 15 1.443 10.125 -10.335 101 HA LYS 15 HA LYS 15 -0.572 12.050 -10.685 102 1HB LYS 15 1HB LYS 15 1.173 11.331 -12.357 103 2HB LYS 15 2HB LYS 15 0.259 9.857 -12.604 104 1HG LYS 15 1HG LYS 15 -1.294 10.912 -13.895 105 2HG LYS 15 2HG LYS 15 -1.486 12.217 -12.741 106 1HD LYS 15 1HD LYS 15 0.410 13.425 -13.640 107 2HD LYS 15 2HD LYS 15 0.941 12.042 -14.575 108 1HE LYS 15 1HE LYS 15 -0.152 13.215 -16.255 109 2HE LYS 15 2HE LYS 15 -1.500 12.260 -15.671 110 1HZ LYS 15 1HZ LYS 15 -1.383 15.006 -15.734 111 2HZ LYS 15 2HZ LYS 15 -2.518 14.125 -14.969 112 H GLN 16 H GLN 16 -0.673 8.886 -9.414 113 HA GLN 16 HA GLN 16 -3.532 8.816 -9.979 114 1HB GLN 16 1HB GLN 16 -1.758 6.358 -9.675 115 2HB GLN 16 2HB GLN 16 -3.455 6.380 -10.111 116 1HG GLN 16 1HG GLN 16 -1.648 8.023 -11.845 117 2HG GLN 16 2HG GLN 16 -1.422 6.288 -11.941 118 1HE2 GLN 16 1HE2 GLN 16 -3.645 5.068 -11.886 119 2HE2 GLN 16 2HE2 GLN 16 -4.814 5.611 -13.043 120 HA PRO 17 HA PRO 17 -3.249 8.927 -5.554 121 1HB PRO 17 1HB PRO 17 -5.715 10.020 -5.113 122 2HB PRO 17 2HB PRO 17 -4.273 10.982 -5.370 123 1HG PRO 17 1HG PRO 17 -6.507 10.458 -7.233 124 2HG PRO 17 2HG PRO 17 -5.297 11.723 -7.299 125 1HD PRO 17 1HD PRO 17 -5.374 9.338 -8.890 126 2HD PRO 17 2HD PRO 17 -4.105 10.546 -8.873 127 H VAL 18 H VAL 18 -4.376 7.947 -3.697 128 HA VAL 18 HA VAL 18 -6.309 5.952 -4.564 129 HB VAL 18 HB VAL 18 -3.657 5.350 -3.249 130 1HG1 VAL 18 3HG1 VAL 18 -5.466 4.149 -2.080 131 2HG1 VAL 18 1HG1 VAL 18 -6.022 3.483 -3.634 132 3HG1 VAL 18 2HG1 VAL 18 -4.420 3.039 -2.998 133 1HG2 VAL 18 1HG2 VAL 18 -4.818 4.953 -5.945 134 2HG2 VAL 18 2HG2 VAL 18 -3.120 5.111 -5.433 135 3HG2 VAL 18 3HG2 VAL 18 -3.959 3.550 -5.265 136 H VAL 19 H VAL 19 -7.581 5.101 -2.771 137 HA VAL 19 HA VAL 19 -7.359 6.805 -0.385 138 HB VAL 19 HB VAL 19 -9.764 5.825 -1.917 139 1HG1 VAL 19 2HG1 VAL 19 -9.499 6.296 0.954 140 2HG1 VAL 19 3HG1 VAL 19 -10.724 7.348 0.205 141 3HG1 VAL 19 1HG1 VAL 19 -10.842 5.581 0.030 142 1HG2 VAL 19 2HG2 VAL 19 -8.302 8.216 -1.991 143 2HG2 VAL 19 3HG2 VAL 19 -9.913 7.917 -2.687 144 3HG2 VAL 19 1HG2 VAL 19 -9.763 8.597 -1.048 145 H PHE 20 H PHE 20 -6.645 5.640 1.319 146 HA PHE 20 HA PHE 20 -7.265 2.775 1.340 147 1HB PHE 20 1HB PHE 20 -4.868 3.616 1.457 148 2HB PHE 20 2HB PHE 20 -5.286 4.597 2.848 149 HD1 PHE 20 HD2 PHE 20 -5.050 1.063 1.677 150 HD2 PHE 20 HD1 PHE 20 -5.169 3.710 5.036 151 HE1 PHE 20 HE2 PHE 20 -4.448 -0.862 3.225 152 HE2 PHE 20 HE1 PHE 20 -4.567 1.776 6.573 153 HZ PHE 20 HZ PHE 20 -4.198 -0.520 5.544 154 H ASN 21 H ASN 21 -7.658 1.803 3.561 155 HA ASN 21 HA ASN 21 -8.926 3.705 5.339 156 1HB ASN 21 1HB ASN 21 -10.216 1.190 4.173 157 2HB ASN 21 2HB ASN 21 -10.826 1.960 5.624 158 1HD2 ASN 21 2HD2 ASN 21 -11.269 3.670 1.892 159 2HD2 ASN 21 1HD2 ASN 21 -10.149 2.384 2.200 160 H HIS 22 H HIS 22 -8.783 3.020 7.570 161 HA HIS 22 HA HIS 22 -7.028 0.734 7.957 162 1HB HIS 22 1HB HIS 22 -7.667 3.216 9.508 163 2HB HIS 22 2HB HIS 22 -7.101 1.807 10.382 164 HD1 HIS 22 HD1 HIS 22 -5.982 4.405 7.895 165 HD2 HIS 22 HD2 HIS 22 -4.389 1.119 9.959 166 HE1 HIS 22 HE1 HIS 22 -3.451 4.527 7.589 167 H SER 23 H SER 23 -10.349 1.727 8.214 168 HA SER 23 HA SER 23 -10.986 -0.069 10.318 169 1HB SER 23 1HB SER 23 -12.216 2.134 9.208 170 2HB SER 23 2HB SER 23 -13.159 0.839 8.496 171 HG SER 23 HG SER 23 -12.599 0.884 11.323 172 H THR 24 H THR 24 -9.980 -0.579 7.190 173 HA THR 24 HA THR 24 -11.793 -2.857 6.771 174 HB THR 24 HB THR 24 -10.009 -1.224 4.892 175 HG1 THR 24 HG1 THR 24 -12.118 -0.359 5.632 176 1HG2 THR 24 2HG2 THR 24 -10.401 -3.816 4.391 177 2HG2 THR 24 3HG2 THR 24 -12.057 -3.282 4.015 178 3HG2 THR 24 1HG2 THR 24 -10.679 -2.618 3.104 179 H HIS 25 H HIS 25 -8.388 -1.850 7.165 180 HA HIS 25 HA HIS 25 -7.613 -4.647 6.934 181 1HB HIS 25 1HB HIS 25 -5.924 -2.137 7.128 182 2HB HIS 25 2HB HIS 25 -5.307 -3.764 6.922 183 HD1 HIS 25 HD1 HIS 25 -7.468 -1.209 5.080 184 HD2 HIS 25 HD2 HIS 25 -5.169 -4.631 4.307 185 HE1 HIS 25 HE1 HIS 25 -7.361 -1.440 2.541 186 H LYS 26 H LYS 26 -9.272 -3.777 9.169 187 HA LYS 26 HA LYS 26 -7.677 -3.261 11.428 188 1HB LYS 26 1HB LYS 26 -10.440 -4.502 11.287 189 2HB LYS 26 2HB LYS 26 -9.701 -3.758 12.691 190 1HG LYS 26 1HG LYS 26 -9.564 -1.580 11.471 191 2HG LYS 26 2HG LYS 26 -10.285 -2.322 10.056 192 1HD LYS 26 1HD LYS 26 -12.236 -1.522 10.978 193 2HD LYS 26 2HD LYS 26 -12.169 -3.019 11.887 194 1HE LYS 26 1HE LYS 26 -10.519 -1.135 13.288 195 2HE LYS 26 2HE LYS 26 -11.999 -0.294 12.873 196 1HZ LYS 26 1HZ LYS 26 -13.112 -1.503 14.391 197 2HZ LYS 26 2HZ LYS 26 -12.559 -2.925 13.823 198 H SER 27 H SER 27 -8.883 -6.263 9.853 199 HA SER 27 HA SER 27 -7.961 -7.930 11.909 200 1HB SER 27 1HB SER 27 -8.498 -9.752 10.411 201 2HB SER 27 2HB SER 27 -9.729 -8.522 10.212 202 HG SER 27 HG SER 27 -7.787 -9.437 8.393 203 H VAL 28 H VAL 28 -6.377 -6.131 9.428 204 HA VAL 28 HA VAL 28 -4.174 -7.979 9.145 205 HB VAL 28 HB VAL 28 -4.527 -5.151 8.133 206 1HG1 VAL 28 2HG1 VAL 28 -2.533 -7.344 7.571 207 2HG1 VAL 28 3HG1 VAL 28 -2.895 -6.101 6.350 208 3HG1 VAL 28 1HG1 VAL 28 -2.248 -5.625 7.938 209 1HG2 VAL 28 3HG2 VAL 28 -5.384 -7.813 6.992 210 2HG2 VAL 28 1HG2 VAL 28 -6.325 -6.313 7.175 211 3HG2 VAL 28 2HG2 VAL 28 -5.046 -6.416 5.942 212 H LYS 29 H LYS 29 -2.110 -7.735 10.041 213 HA LYS 29 HA LYS 29 -2.046 -6.322 12.504 214 1HB LYS 29 1HB LYS 29 -0.628 -8.441 11.259 215 2HB LYS 29 2HB LYS 29 0.553 -7.203 11.633 216 1HG LYS 29 1HG LYS 29 -0.065 -7.178 13.973 217 2HG LYS 29 2HG LYS 29 -1.517 -8.113 13.675 218 1HD LYS 29 1HD LYS 29 0.500 -9.757 12.639 219 2HD LYS 29 2HD LYS 29 1.270 -9.036 14.038 220 1HE LYS 29 1HE LYS 29 -1.493 -9.867 14.632 221 2HE LYS 29 2HE LYS 29 -0.527 -11.209 14.051 222 1HZ LYS 29 1HZ LYS 29 0.538 -11.253 16.013 223 2HZ LYS 29 2HZ LYS 29 0.981 -9.690 15.907 224 H CYS 30 H CYS 30 -1.005 -4.408 13.058 225 HA CYS 30 HA CYS 30 -0.787 -2.497 11.050 226 1HB CYS 30 1HB CYS 30 0.570 -2.270 13.727 227 2HB CYS 30 2HB CYS 30 -0.103 -0.997 12.728 228 H GLY 31 H GLY 31 1.437 -4.891 12.405 229 1HA GLY 31 1HA GLY 31 3.829 -3.615 11.409 230 2HA GLY 31 2HA GLY 31 3.685 -5.187 12.170 231 H ASP 32 H ASP 32 1.242 -5.146 9.890 232 HA ASP 32 HA ASP 32 2.782 -6.807 8.167 233 1HB ASP 32 1HB ASP 32 0.338 -7.172 8.860 234 2HB ASP 32 2HB ASP 32 -0.088 -5.828 7.819 235 H CYS 33 H CYS 33 1.390 -3.518 8.256 236 HA CYS 33 HA CYS 33 2.219 -3.102 5.486 237 1HB CYS 33 1HB CYS 33 0.094 -1.918 7.203 238 2HB CYS 33 2HB CYS 33 0.896 -0.824 6.093 239 H HIS 34 H HIS 34 2.208 -1.518 8.768 240 HA HIS 34 HA HIS 34 4.291 0.264 8.003 241 1HB HIS 34 1HB HIS 34 3.088 -0.362 10.714 242 2HB HIS 34 2HB HIS 34 4.204 0.949 10.386 243 HD1 HIS 34 HD1 HIS 34 3.303 2.926 8.819 244 HD2 HIS 34 HD2 HIS 34 0.426 0.142 10.069 245 HE1 HIS 34 HE1 HIS 34 1.031 4.000 8.380 246 H HIS 35 H HIS 35 5.437 -1.958 7.231 247 HA HIS 35 HA HIS 35 6.574 -3.723 8.875 248 1HB HIS 35 1HB HIS 35 8.379 -3.926 7.273 249 2HB HIS 35 2HB HIS 35 6.852 -3.692 6.447 250 HD1 HIS 35 HD1 HIS 35 9.887 -1.614 7.521 251 HD2 HIS 35 HD2 HIS 35 6.877 -1.664 4.601 252 HE1 HIS 35 HE1 HIS 35 10.438 0.273 5.895 253 HA PRO 36 HA PRO 36 9.198 -1.592 11.574 254 1HB PRO 36 1HB PRO 36 10.902 -3.586 12.342 255 2HB PRO 36 2HB PRO 36 9.295 -3.387 13.013 256 1HG PRO 36 1HG PRO 36 10.253 -5.386 11.057 257 2HG PRO 36 2HG PRO 36 8.807 -5.423 12.046 258 1HD PRO 36 1HD PRO 36 8.957 -4.808 9.248 259 2HD PRO 36 2HD PRO 36 7.530 -4.733 10.263 260 H VAL 37 H VAL 37 10.454 0.043 10.956 261 HA VAL 37 HA VAL 37 12.446 -0.560 8.954 262 HB VAL 37 HB VAL 37 11.422 1.941 10.285 263 1HG1 VAL 37 3HG1 VAL 37 13.857 2.189 9.975 264 2HG1 VAL 37 1HG1 VAL 37 13.676 1.765 8.255 265 3HG1 VAL 37 2HG1 VAL 37 12.937 3.256 8.887 266 1HG2 VAL 37 3HG2 VAL 37 10.139 0.748 8.426 267 2HG2 VAL 37 1HG2 VAL 37 10.500 2.472 8.171 268 3HG2 VAL 37 2HG2 VAL 37 11.468 1.229 7.344 269 H ASN 38 H ASN 38 12.564 1.279 12.090 270 HA ASN 38 HA ASN 38 15.299 0.401 12.337 271 1HB ASN 38 1HB ASN 38 13.875 2.772 13.021 272 2HB ASN 38 2HB ASN 38 14.276 2.033 14.559 273 1HD2 ASN 38 2HD2 ASN 38 17.220 3.364 11.968 274 2HD2 ASN 38 1HD2 ASN 38 15.615 2.999 11.429 275 H GLY 39 H GLY 39 13.074 -1.535 12.671 276 1HA GLY 39 1HA GLY 39 12.804 -3.331 14.051 277 2HA GLY 39 2HA GLY 39 13.769 -2.549 15.287 278 H LYS 40 H LYS 40 11.589 -0.213 14.254 279 HA LYS 40 HA LYS 40 9.647 -1.026 16.305 280 1HB LYS 40 1HB LYS 40 9.451 1.226 17.011 281 2HB LYS 40 2HB LYS 40 11.167 0.880 16.934 282 1HG LYS 40 1HG LYS 40 10.732 1.793 14.373 283 2HG LYS 40 2HG LYS 40 9.522 2.715 15.244 284 1HD LYS 40 1HD LYS 40 11.556 3.137 16.948 285 2HD LYS 40 2HD LYS 40 12.527 2.771 15.535 286 1HE LYS 40 1HE LYS 40 11.204 4.523 14.248 287 2HE LYS 40 2HE LYS 40 10.391 4.946 15.741 288 1HZ LYS 40 1HZ LYS 40 13.008 5.683 14.892 289 2HZ LYS 40 2HZ LYS 40 12.137 6.289 16.127 290 H GLU 41 H GLU 41 7.434 -0.713 15.853 291 HA GLU 41 HA GLU 41 6.944 -0.415 13.015 292 1HB GLU 41 1HB GLU 41 5.543 -1.767 15.299 293 2HB GLU 41 2HB GLU 41 4.535 -1.171 13.996 294 1HG GLU 41 1HG GLU 41 5.245 -2.788 12.548 295 2HG GLU 41 2HG GLU 41 6.927 -2.568 12.986 296 H ASP 42 H ASP 42 7.409 1.994 13.308 297 HA ASP 42 HA ASP 42 5.575 3.487 14.835 298 1HB ASP 42 1HB ASP 42 6.564 5.416 13.398 299 2HB ASP 42 2HB ASP 42 7.654 4.550 14.463 300 H TYR 43 H TYR 43 3.795 4.811 14.011 301 HA TYR 43 HA TYR 43 2.706 3.795 11.504 302 1HB TYR 43 1HB TYR 43 1.659 5.576 13.793 303 2HB TYR 43 2HB TYR 43 0.661 5.010 12.469 304 HD1 TYR 43 HD1 TYR 43 2.658 2.294 12.901 305 HD2 TYR 43 HD2 TYR 43 -0.369 4.440 15.032 306 HE1 TYR 43 HE1 TYR 43 2.093 0.198 14.225 307 HE2 TYR 43 HE2 TYR 43 -0.923 2.336 16.348 308 HH TYR 43 HH TYR 43 -0.364 -0.507 15.517 309 H ARG 44 H ARG 44 4.043 4.955 9.991 310 HA ARG 44 HA ARG 44 3.412 7.798 9.988 311 1HB ARG 44 1HB ARG 44 5.990 6.508 10.012 312 2HB ARG 44 2HB ARG 44 5.797 7.237 8.430 313 1HG ARG 44 1HG ARG 44 5.445 9.431 9.359 314 2HG ARG 44 2HG ARG 44 5.168 8.794 10.968 315 1HD ARG 44 1HD ARG 44 7.813 8.062 9.804 316 2HD ARG 44 2HD ARG 44 7.592 9.781 10.065 317 HE ARG 44 HE ARG 44 6.812 8.059 12.334 318 1HH1 ARG 44 2HH2 ARG 44 9.358 10.042 10.870 319 2HH1 ARG 44 1HH2 ARG 44 10.222 10.250 12.356 320 HH2 ARG 44 HH1 ARG 44 9.378 9.237 14.357 321 H LYS 45 H LYS 45 3.925 8.678 7.550 322 HA LYS 45 HA LYS 45 2.202 7.101 5.872 323 1HB LYS 45 1HB LYS 45 3.544 9.790 5.466 324 2HB LYS 45 2HB LYS 45 2.432 9.053 4.331 325 1HG LYS 45 1HG LYS 45 0.949 10.363 5.566 326 2HG LYS 45 2HG LYS 45 0.836 8.853 6.449 327 1HD LYS 45 1HD LYS 45 1.858 9.714 8.313 328 2HD LYS 45 2HD LYS 45 3.059 10.582 7.377 329 1HE LYS 45 1HE LYS 45 0.154 11.473 7.711 330 2HE LYS 45 2HE LYS 45 1.497 12.104 8.642 331 1HZ LYS 45 1HZ LYS 45 1.426 13.603 6.911 332 2HZ LYS 45 2HZ LYS 45 2.464 12.540 6.243 333 H CYS 46 H CYS 46 2.781 5.830 4.153 334 HA CYS 46 HA CYS 46 5.364 4.865 4.022 335 1HB CYS 46 1HB CYS 46 3.504 4.767 1.665 336 2HB CYS 46 2HB CYS 46 4.667 3.573 2.206 337 H GLY 47 H GLY 47 3.589 7.269 1.958 338 1HA GLY 47 1HA GLY 47 5.892 7.828 0.335 339 2HA GLY 47 2HA GLY 47 4.344 8.649 0.323 340 H THR 48 H THR 48 6.856 8.115 2.902 341 HA THR 48 HA THR 48 6.654 10.964 3.538 342 HB THR 48 HB THR 48 7.449 8.421 4.972 343 HG1 THR 48 HG1 THR 48 5.448 9.156 5.621 344 1HG2 THR 48 1HG2 THR 48 8.726 11.090 5.322 345 2HG2 THR 48 2HG2 THR 48 7.967 10.448 6.799 346 3HG2 THR 48 3HG2 THR 48 9.226 9.507 5.964 347 H ALA 49 H ALA 49 8.231 12.423 3.172 348 HA ALA 49 HA ALA 49 10.213 11.881 1.331 349 1HB ALA 49 3HB ALA 49 9.141 14.101 2.500 350 2HB ALA 49 1HB ALA 49 10.734 14.051 3.294 351 3HB ALA 49 2HB ALA 49 10.626 14.115 1.518 352 H GLY 50 H GLY 50 11.808 10.386 1.561 353 1HA GLY 50 1HA GLY 50 14.023 10.170 2.564 354 2HA GLY 50 2HA GLY 50 13.273 10.385 4.133 355 H CYS 51 H CYS 51 10.870 8.734 2.777 356 HA CYS 51 HA CYS 51 12.052 6.167 3.520 357 1HB CYS 51 1HB CYS 51 9.176 7.128 3.557 358 2HB CYS 51 2HB CYS 51 9.637 5.456 3.805 359 H HIS 52 H HIS 52 9.027 6.702 1.677 360 HA HIS 52 HA HIS 52 10.315 5.368 -0.588 361 1HB HIS 52 1HB HIS 52 7.438 5.371 0.354 362 2HB HIS 52 2HB HIS 52 7.943 4.732 -1.197 363 HD1 HIS 52 HD1 HIS 52 9.902 2.751 -0.983 364 HD2 HIS 52 HD2 HIS 52 7.512 3.529 2.376 365 HE1 HIS 52 HE1 HIS 52 10.104 0.705 0.528 366 H ASP 53 H ASP 53 11.162 7.647 -1.035 367 HA ASP 53 HA ASP 53 9.114 9.030 -2.575 368 1HB ASP 53 1HB ASP 53 10.050 10.116 -0.319 369 2HB ASP 53 2HB ASP 53 11.429 10.523 -1.321 370 H SER 54 H SER 54 10.094 7.629 -4.344 371 HA SER 54 HA SER 54 12.772 8.507 -5.066 372 1HB SER 54 1HB SER 54 12.555 6.085 -4.860 373 2HB SER 54 2HB SER 54 11.140 6.070 -5.894 374 HG SER 54 HG SER 54 12.597 5.650 -7.424 375 H MET 55 H MET 55 9.362 8.269 -6.115 376 HA MET 55 HA MET 55 8.248 9.188 -7.738 377 1HB MET 55 1HB MET 55 10.535 11.055 -7.292 378 2HB MET 55 2HB MET 55 9.799 11.227 -8.873 379 1HG MET 55 1HG MET 55 8.460 12.683 -7.621 380 2HG MET 55 2HG MET 55 7.514 11.212 -7.513 381 1HE MET 55 3HE MET 55 7.040 9.968 -5.883 382 2HE MET 55 1HE MET 55 8.340 9.417 -4.799 383 3HE MET 55 2HE MET 55 7.043 10.464 -4.173 384 H ASP 56 H ASP 56 9.910 6.904 -8.368 385 HA ASP 56 HA ASP 56 10.166 7.408 -11.207 386 1HB ASP 56 1HB ASP 56 12.289 6.327 -9.341 387 2HB ASP 56 2HB ASP 56 12.225 5.714 -10.981 388 H LYS 57 H LYS 57 8.149 6.167 -11.368 389 HA LYS 57 HA LYS 57 7.460 3.889 -10.123 390 1HB LYS 57 1HB LYS 57 5.861 4.788 -11.538 391 2HB LYS 57 2HB LYS 57 6.965 4.936 -12.890 392 1HG LYS 57 1HG LYS 57 6.602 2.138 -11.969 393 2HG LYS 57 2HG LYS 57 5.118 2.881 -12.533 394 1HD LYS 57 1HD LYS 57 7.643 3.169 -14.185 395 2HD LYS 57 2HD LYS 57 6.740 1.669 -14.252 396 1HE LYS 57 1HE LYS 57 5.054 2.602 -15.485 397 2HE LYS 57 2HE LYS 57 4.984 4.033 -14.476 398 1HZ LYS 57 1HZ LYS 57 5.876 4.165 -16.934 399 2HZ LYS 57 2HZ LYS 57 6.535 5.107 -15.781 400 H LYS 58 H LYS 58 9.509 4.098 -13.112 401 HA LYS 58 HA LYS 58 10.062 1.283 -12.956 402 1HB LYS 58 1HB LYS 58 11.374 1.668 -14.972 403 2HB LYS 58 2HB LYS 58 9.783 2.387 -15.119 404 1HG LYS 58 1HG LYS 58 11.768 4.245 -13.952 405 2HG LYS 58 2HG LYS 58 12.220 3.694 -15.553 406 1HD LYS 58 1HD LYS 58 10.679 5.057 -16.503 407 2HD LYS 58 2HD LYS 58 9.394 4.294 -15.588 408 1HE LYS 58 1HE LYS 58 10.661 5.887 -13.663 409 2HE LYS 58 2HE LYS 58 10.763 6.873 -15.108 410 1HZ LYS 58 1HZ LYS 58 8.392 6.049 -13.640 411 2HZ LYS 58 2HZ LYS 58 8.656 7.421 -14.476 412 H ASP 59 H ASP 59 10.737 2.014 -10.521 413 HA ASP 59 HA ASP 59 13.628 2.362 -10.681 414 1HB ASP 59 1HB ASP 59 12.573 4.307 -9.600 415 2HB ASP 59 2HB ASP 59 11.663 3.263 -8.526 416 H LYS 60 H LYS 60 10.915 1.209 -8.523 417 HA LYS 60 HA LYS 60 10.663 -0.598 -7.282 418 1HB LYS 60 1HB LYS 60 12.751 -1.904 -9.050 419 2HB LYS 60 2HB LYS 60 11.567 -2.717 -8.047 420 1HG LYS 60 1HG LYS 60 10.282 -2.737 -9.939 421 2HG LYS 60 2HG LYS 60 9.920 -1.074 -9.520 422 1HD LYS 60 1HD LYS 60 10.773 -0.525 -11.558 423 2HD LYS 60 2HD LYS 60 12.351 -0.815 -10.854 424 1HE LYS 60 1HE LYS 60 12.252 -2.142 -12.867 425 2HE LYS 60 2HE LYS 60 12.120 -3.267 -11.529 426 1HZ LYS 60 1HZ LYS 60 9.562 -2.821 -11.902 427 2HZ LYS 60 2HZ LYS 60 10.035 -2.429 -13.410 428 H SER 61 H SER 61 13.137 -2.529 -6.911 429 HA SER 61 HA SER 61 14.832 -2.751 -5.562 430 1HB SER 61 1HB SER 61 14.971 0.279 -5.256 431 2HB SER 61 2HB SER 61 16.245 -0.869 -4.896 432 HG SER 61 HG SER 61 16.340 0.300 -7.037 433 H ALA 62 H ALA 62 13.313 0.286 -4.239 434 HA ALA 62 HA ALA 62 11.771 -0.972 -2.304 435 1HB ALA 62 1HB ALA 62 14.331 -1.438 -1.635 436 2HB ALA 62 2HB ALA 62 14.161 0.184 -0.921 437 3HB ALA 62 3HB ALA 62 13.072 -1.130 -0.414 438 H LYS 63 H LYS 63 13.929 1.805 -3.104 439 HA LYS 63 HA LYS 63 12.425 3.692 -1.651 440 1HB LYS 63 1HB LYS 63 13.719 5.334 -3.052 441 2HB LYS 63 2HB LYS 63 14.689 4.195 -2.140 442 1HG LYS 63 1HG LYS 63 15.505 3.175 -4.027 443 2HG LYS 63 2HG LYS 63 13.954 3.211 -4.842 444 1HD LYS 63 1HD LYS 63 14.909 4.822 -6.153 445 2HD LYS 63 2HD LYS 63 14.562 5.898 -4.814 446 1HE LYS 63 1HE LYS 63 16.933 4.894 -3.932 447 2HE LYS 63 2HE LYS 63 17.184 4.693 -5.655 448 1HZ LYS 63 1HZ LYS 63 16.330 7.155 -5.717 449 2HZ LYS 63 2HZ LYS 63 16.796 7.190 -4.157 450 H GLY 64 H GLY 64 11.691 1.862 -4.429 451 1HA GLY 64 1HA GLY 64 10.222 3.839 -5.888 452 2HA GLY 64 2HA GLY 64 10.204 2.102 -6.118 453 H TYR 65 H TYR 65 8.649 4.860 -4.586 454 HA TYR 65 HA TYR 65 7.064 3.630 -2.697 455 1HB TYR 65 1HB TYR 65 7.254 6.081 -3.059 456 2HB TYR 65 2HB TYR 65 6.672 5.928 -4.705 457 HD1 TYR 65 HD1 TYR 65 5.523 5.136 -1.215 458 HD2 TYR 65 HD2 TYR 65 4.468 6.518 -5.124 459 HE1 TYR 65 HE1 TYR 65 3.149 5.585 -0.424 460 HE2 TYR 65 HE2 TYR 65 2.098 6.962 -4.320 461 HH TYR 65 HH TYR 65 0.695 5.727 -2.086 462 H TYR 66 H TYR 66 6.525 4.029 -6.252 463 HA TYR 66 HA TYR 66 3.952 2.798 -6.137 464 1HB TYR 66 1HB TYR 66 4.385 4.337 -7.941 465 2HB TYR 66 2HB TYR 66 6.020 3.749 -8.165 466 HD1 TYR 66 HD1 TYR 66 6.350 1.448 -9.241 467 HD2 TYR 66 HD2 TYR 66 2.603 3.513 -9.265 468 HE1 TYR 66 HE1 TYR 66 5.558 0.004 -11.179 469 HE2 TYR 66 HE2 TYR 66 1.824 2.063 -11.202 470 HH TYR 66 HH TYR 66 2.341 -0.176 -12.093 471 H HIS 67 H HIS 67 6.970 1.513 -5.591 472 HA HIS 67 HA HIS 67 6.424 -0.923 -7.095 473 1HB HIS 67 1HB HIS 67 8.608 -0.562 -7.521 474 2HB HIS 67 2HB HIS 67 8.839 0.442 -6.103 475 HD1 HIS 67 HD1 HIS 67 9.219 -3.052 -7.348 476 HD2 HIS 67 HD2 HIS 67 9.488 -1.003 -3.697 477 HE1 HIS 67 HE1 HIS 67 10.398 -4.631 -5.727 478 H VAL 68 H VAL 68 6.243 0.522 -3.922 479 HA VAL 68 HA VAL 68 6.106 -2.105 -2.658 480 HB VAL 68 HB VAL 68 5.903 -0.596 -0.584 481 1HG1 VAL 68 2HG1 VAL 68 7.936 -1.903 -1.433 482 2HG1 VAL 68 3HG1 VAL 68 8.522 -0.352 -2.079 483 3HG1 VAL 68 1HG1 VAL 68 8.250 -0.542 -0.330 484 1HG2 VAL 68 2HG2 VAL 68 5.375 1.463 -1.960 485 2HG2 VAL 68 3HG2 VAL 68 6.659 1.661 -0.742 486 3HG2 VAL 68 1HG2 VAL 68 7.084 1.471 -2.460 487 H MET 69 H MET 69 4.096 -0.441 -4.537 488 HA MET 69 HA MET 69 1.826 -0.875 -2.752 489 1HB MET 69 1HB MET 69 2.107 1.035 -5.140 490 2HB MET 69 2HB MET 69 0.659 0.863 -4.169 491 1HG MET 69 1HG MET 69 3.338 1.620 -2.926 492 2HG MET 69 2HG MET 69 2.251 2.829 -3.581 493 1HE MET 69 3HE MET 69 3.454 1.384 -0.628 494 2HE MET 69 1HE MET 69 2.986 3.099 -0.528 495 3HE MET 69 2HE MET 69 2.239 1.907 0.563 496 H HIS 70 H HIS 70 3.492 -1.879 -5.589 497 HA HIS 70 HA HIS 70 1.142 -3.432 -6.364 498 1HB HIS 70 1HB HIS 70 3.048 -2.280 -8.403 499 2HB HIS 70 2HB HIS 70 1.500 -3.056 -8.677 500 HD1 HIS 70 HD1 HIS 70 2.930 0.155 -7.182 501 HD2 HIS 70 HD2 HIS 70 -0.662 -1.343 -8.746 502 HE1 HIS 70 HE1 HIS 70 1.340 2.144 -7.352 503 H ASP 71 H ASP 71 4.678 -3.026 -7.137 504 HA ASP 71 HA ASP 71 5.316 -5.435 -7.924 505 1HB ASP 71 1HB ASP 71 6.732 -3.294 -6.982 506 2HB ASP 71 2HB ASP 71 7.056 -4.436 -5.693 507 H LYS 72 H LYS 72 5.396 -7.559 -7.083 508 HA LYS 72 HA LYS 72 4.503 -7.848 -4.315 509 1HB LYS 72 1HB LYS 72 4.607 -10.010 -6.424 510 2HB LYS 72 2HB LYS 72 3.702 -9.999 -4.924 511 1HG LYS 72 1HG LYS 72 2.301 -8.119 -5.757 512 2HG LYS 72 2HG LYS 72 3.233 -8.061 -7.240 513 1HD LYS 72 1HD LYS 72 2.559 -10.672 -7.340 514 2HD LYS 72 2HD LYS 72 1.234 -10.126 -6.331 515 1HE LYS 72 1HE LYS 72 0.311 -9.806 -8.455 516 2HE LYS 72 2HE LYS 72 0.981 -8.215 -8.157 517 1HZ LYS 72 1HZ LYS 72 1.634 -9.903 -10.251 518 2HZ LYS 72 2HZ LYS 72 2.368 -8.497 -9.886 519 H ASN 73 H ASN 73 7.168 -8.498 -6.580 520 HA ASN 73 HA ASN 73 8.493 -10.313 -4.927 521 1HB ASN 73 1HB ASN 73 9.155 -8.644 -7.339 522 2HB ASN 73 2HB ASN 73 10.526 -9.189 -6.393 523 1HD2 ASN 73 2HD2 ASN 73 10.489 -12.464 -7.503 524 2HD2 ASN 73 1HD2 ASN 73 11.252 -11.185 -6.618 525 H THR 74 H THR 74 7.990 -8.822 -2.899 526 HA THR 74 HA THR 74 10.324 -7.080 -2.495 527 HB THR 74 HB THR 74 8.776 -5.536 -1.244 528 HG1 THR 74 HG1 THR 74 7.195 -7.311 -0.852 529 1HG2 THR 74 3HG2 THR 74 9.079 -5.549 -3.945 530 2HG2 THR 74 1HG2 THR 74 7.346 -5.946 -3.863 531 3HG2 THR 74 2HG2 THR 74 7.949 -4.439 -3.132 532 H LYS 75 H LYS 75 11.070 -6.916 -0.296 533 HA LYS 75 HA LYS 75 11.002 -9.409 0.997 534 1HB LYS 75 1HB LYS 75 12.963 -8.052 1.136 535 2HB LYS 75 2HB LYS 75 12.071 -6.690 1.783 536 1HG LYS 75 1HG LYS 75 11.417 -8.347 3.731 537 2HG LYS 75 2HG LYS 75 12.762 -9.310 3.152 538 1HD LYS 75 1HD LYS 75 12.988 -6.358 3.905 539 2HD LYS 75 2HD LYS 75 13.362 -7.674 5.001 540 1HE LYS 75 1HE LYS 75 14.934 -8.501 3.014 541 2HE LYS 75 2HE LYS 75 14.824 -6.833 2.487 542 1HZ LYS 75 1HZ LYS 75 16.595 -7.667 4.300 543 2HZ LYS 75 2HZ LYS 75 16.050 -6.133 4.260 544 H PHE 76 H PHE 76 8.972 -6.543 1.142 545 HA PHE 76 HA PHE 76 7.630 -7.693 3.496 546 1HB PHE 76 1HB PHE 76 7.862 -4.852 2.321 547 2HB PHE 76 2HB PHE 76 6.835 -5.234 3.688 548 HD1 PHE 76 HD2 PHE 76 8.112 -6.487 5.695 549 HD2 PHE 76 HD1 PHE 76 9.980 -4.005 2.753 550 HE1 PHE 76 HE2 PHE 76 10.066 -6.081 7.269 551 HE2 PHE 76 HE1 PHE 76 11.929 -3.607 4.337 552 HZ PHE 76 HZ PHE 76 11.888 -4.732 6.616 553 H LYS 77 H LYS 77 5.263 -7.522 3.545 554 HA LYS 77 HA LYS 77 4.129 -8.293 1.097 555 1HB LYS 77 1HB LYS 77 2.915 -7.514 3.760 556 2HB LYS 77 2HB LYS 77 1.973 -8.110 2.409 557 1HG LYS 77 1HG LYS 77 3.110 -10.240 2.416 558 2HG LYS 77 2HG LYS 77 4.381 -9.645 3.466 559 1HD LYS 77 1HD LYS 77 2.805 -9.429 5.345 560 2HD LYS 77 2HD LYS 77 1.452 -9.840 4.309 561 1HE LYS 77 1HE LYS 77 3.727 -11.806 4.407 562 2HE LYS 77 2HE LYS 77 2.732 -11.679 5.844 563 1HZ LYS 77 1HZ LYS 77 0.870 -12.419 4.697 564 2HZ LYS 77 2HZ LYS 77 1.396 -11.932 3.235 565 H SER 78 H SER 78 3.315 -7.130 -0.570 566 HA SER 78 HA SER 78 3.220 -4.263 -0.162 567 1HB SER 78 1HB SER 78 4.012 -4.107 -2.276 568 2HB SER 78 2HB SER 78 4.256 -5.841 -2.220 569 HG SER 78 HG SER 78 2.993 -5.258 -4.069 570 H CYS 79 H CYS 79 1.371 -3.058 -1.306 571 HA CYS 79 HA CYS 79 -1.035 -3.773 -0.305 572 1HB CYS 79 1HB CYS 79 -0.617 -2.247 -2.882 573 2HB CYS 79 2HB CYS 79 -2.037 -2.198 -1.857 574 H VAL 80 H VAL 80 -0.120 -4.065 -3.824 575 HA VAL 80 HA VAL 80 -2.260 -5.774 -4.423 576 HB VAL 80 HB VAL 80 0.372 -5.259 -5.822 577 1HG1 VAL 80 3HG1 VAL 80 -2.048 -6.858 -6.610 578 2HG1 VAL 80 1HG1 VAL 80 -1.126 -5.983 -7.855 579 3HG1 VAL 80 2HG1 VAL 80 -0.320 -7.213 -6.852 580 1HG2 VAL 80 2HG2 VAL 80 -1.241 -3.314 -5.385 581 2HG2 VAL 80 3HG2 VAL 80 -0.732 -3.587 -7.069 582 3HG2 VAL 80 1HG2 VAL 80 -2.341 -4.123 -6.528 583 H GLY 81 H GLY 81 1.121 -6.320 -3.360 584 1HA GLY 81 1HA GLY 81 1.437 -8.991 -3.900 585 2HA GLY 81 2HA GLY 81 2.110 -8.156 -2.515 586 H CYS 82 H CYS 82 0.167 -7.580 -0.789 587 HA CYS 82 HA CYS 82 -0.553 -10.066 0.249 588 1HB CYS 82 1HB CYS 82 -0.176 -8.046 1.624 589 2HB CYS 82 2HB CYS 82 -1.628 -7.318 0.966 590 H HIS 83 H HIS 83 -2.361 -7.483 -1.535 591 HA HIS 83 HA HIS 83 -4.876 -8.553 -1.364 592 1HB HIS 83 1HB HIS 83 -3.474 -6.844 -3.401 593 2HB HIS 83 2HB HIS 83 -5.109 -7.397 -3.707 594 HD1 HIS 83 HD1 HIS 83 -6.023 -4.953 -3.541 595 HD2 HIS 83 HD2 HIS 83 -4.210 -6.367 -0.033 596 HE1 HIS 83 HE1 HIS 83 -6.656 -3.308 -1.697 597 H VAL 84 H VAL 84 -2.208 -9.308 -3.673 598 HA VAL 84 HA VAL 84 -3.643 -10.974 -5.352 599 HB VAL 84 HB VAL 84 -0.743 -10.985 -4.502 600 1HG1 VAL 84 3HG1 VAL 84 -1.969 -13.088 -5.739 601 2HG1 VAL 84 1HG1 VAL 84 -1.457 -12.114 -7.139 602 3HG1 VAL 84 2HG1 VAL 84 -0.255 -12.654 -5.942 603 1HG2 VAL 84 3HG2 VAL 84 -2.250 -9.169 -6.057 604 2HG2 VAL 84 1HG2 VAL 84 -0.482 -9.232 -5.855 605 3HG2 VAL 84 2HG2 VAL 84 -1.257 -10.103 -7.201 606 H GLU 85 H GLU 85 -2.119 -11.564 -2.157 607 HA GLU 85 HA GLU 85 -2.563 -14.352 -2.304 608 1HB GLU 85 1HB GLU 85 -1.434 -12.410 -0.374 609 2HB GLU 85 2HB GLU 85 -2.247 -13.759 0.394 610 1HG GLU 85 1HG GLU 85 -0.662 -14.775 -1.811 611 2HG GLU 85 2HG GLU 85 0.349 -13.728 -0.835 612 H VAL 86 H VAL 86 -4.349 -11.505 -1.114 613 HA VAL 86 HA VAL 86 -6.242 -13.019 0.377 614 HB VAL 86 HB VAL 86 -6.270 -10.190 -0.693 615 1HG1 VAL 86 3HG1 VAL 86 -8.535 -11.243 -0.134 616 2HG1 VAL 86 1HG1 VAL 86 -7.979 -11.274 1.556 617 3HG1 VAL 86 2HG1 VAL 86 -8.125 -9.723 0.695 618 1HG2 VAL 86 3HG2 VAL 86 -4.457 -10.969 0.996 619 2HG2 VAL 86 1HG2 VAL 86 -5.372 -9.481 1.342 620 3HG2 VAL 86 2HG2 VAL 86 -5.793 -10.998 2.172 621 H ALA 87 H ALA 87 -6.274 -11.352 -2.849 622 HA ALA 87 HA ALA 87 -8.857 -12.235 -3.510 623 1HB ALA 87 2HB ALA 87 -7.694 -10.298 -4.536 624 2HB ALA 87 3HB ALA 87 -6.533 -11.411 -5.298 625 3HB ALA 87 1HB ALA 87 -8.250 -11.462 -5.762 626 H GLY 88 H GLY 88 -5.611 -13.680 -3.726 627 1HA GLY 88 1HA GLY 88 -4.892 -15.662 -4.528 628 2HA GLY 88 2HA GLY 88 -6.373 -16.282 -3.827 629 H ALA 89 H ALA 89 -8.037 -17.009 -5.155 630 HA ALA 89 HA ALA 89 -7.771 -16.401 -8.012 631 1HB ALA 89 2HB ALA 89 -8.234 -19.128 -6.738 632 2HB ALA 89 3HB ALA 89 -8.327 -18.782 -8.482 633 3HB ALA 89 1HB ALA 89 -6.779 -18.607 -7.621 634 H ASP 90 H ASP 90 -9.409 -14.752 -7.013 635 HA ASP 90 HA ASP 90 -12.005 -16.065 -6.860 636 1HB ASP 90 1HB ASP 90 -11.455 -14.757 -4.856 637 2HB ASP 90 2HB ASP 90 -11.033 -13.362 -5.829 638 H ALA 91 H ALA 91 -9.955 -13.565 -8.386 639 HA ALA 91 HA ALA 91 -10.135 -12.652 -10.424 640 1HB ALA 91 2HB ALA 91 -11.975 -14.705 -10.636 641 2HB ALA 91 3HB ALA 91 -12.968 -13.266 -10.967 642 3HB ALA 91 1HB ALA 91 -11.519 -13.593 -11.948 643 H ALA 92 H ALA 92 -13.580 -12.444 -9.315 644 HA ALA 92 HA ALA 92 -13.986 -9.833 -9.834 645 1HB ALA 92 1HB ALA 92 -14.993 -11.625 -7.604 646 2HB ALA 92 2HB ALA 92 -15.608 -9.970 -7.834 647 3HB ALA 92 3HB ALA 92 -15.806 -11.180 -9.124 648 H LYS 93 H LYS 93 -12.294 -11.257 -6.999 649 HA LYS 93 HA LYS 93 -11.956 -8.664 -5.797 650 1HB LYS 93 1HB LYS 93 -11.049 -11.458 -5.077 651 2HB LYS 93 2HB LYS 93 -10.533 -10.045 -4.180 652 1HG LYS 93 1HG LYS 93 -12.897 -9.441 -3.715 653 2HG LYS 93 2HG LYS 93 -13.453 -10.795 -4.680 654 1HD LYS 93 1HD LYS 93 -12.064 -12.303 -3.085 655 2HD LYS 93 2HD LYS 93 -11.922 -10.897 -2.048 656 1HE LYS 93 1HE LYS 93 -14.404 -10.723 -1.912 657 2HE LYS 93 2HE LYS 93 -14.573 -12.092 -2.993 658 1HZ LYS 93 1HZ LYS 93 -14.342 -13.439 -1.228 659 2HZ LYS 93 2HZ LYS 93 -12.869 -12.838 -0.880 660 H LYS 94 H LYS 94 -10.121 -10.970 -7.819 661 HA LYS 94 HA LYS 94 -7.625 -9.724 -7.496 662 1HB LYS 94 1HB LYS 94 -8.269 -12.066 -8.435 663 2HB LYS 94 2HB LYS 94 -8.458 -11.235 -9.966 664 1HG LYS 94 1HG LYS 94 -6.206 -11.038 -10.255 665 2HG LYS 94 2HG LYS 94 -5.971 -10.427 -8.629 666 1HD LYS 94 1HD LYS 94 -5.436 -12.495 -7.781 667 2HD LYS 94 2HD LYS 94 -6.656 -13.317 -8.733 668 1HE LYS 94 1HE LYS 94 -5.092 -13.971 -10.239 669 2HE LYS 94 2HE LYS 94 -4.658 -12.303 -10.555 670 1HZ LYS 94 1HZ LYS 94 -3.043 -14.108 -9.336 671 2HZ LYS 94 2HZ LYS 94 -2.837 -12.495 -9.250 672 H LYS 95 H LYS 95 -10.513 -8.575 -8.851 673 HA LYS 95 HA LYS 95 -9.004 -6.741 -10.582 674 1HB LYS 95 1HB LYS 95 -11.045 -8.446 -11.319 675 2HB LYS 95 2HB LYS 95 -11.902 -6.943 -11.040 676 1HG LYS 95 1HG LYS 95 -10.699 -5.780 -12.703 677 2HG LYS 95 2HG LYS 95 -9.321 -6.859 -12.613 678 1HD LYS 95 1HD LYS 95 -11.842 -8.205 -13.431 679 2HD LYS 95 2HD LYS 95 -11.309 -6.966 -14.550 680 1HE LYS 95 1HE LYS 95 -10.126 -8.809 -15.368 681 2HE LYS 95 2HE LYS 95 -8.933 -8.128 -14.280 682 1HZ LYS 95 1HZ LYS 95 -9.128 -10.459 -13.813 683 2HZ LYS 95 2HZ LYS 95 -9.813 -9.692 -12.550 684 H ASP 96 H ASP 96 -10.646 -7.132 -7.628 685 HA ASP 96 HA ASP 96 -11.313 -4.295 -7.618 686 1HB ASP 96 1HB ASP 96 -12.682 -6.682 -6.631 687 2HB ASP 96 2HB ASP 96 -12.393 -5.570 -5.307 688 H LEU 97 H LEU 97 -8.984 -6.549 -6.734 689 HA LEU 97 HA LEU 97 -8.247 -5.003 -4.347 690 1HB LEU 97 1HB LEU 97 -8.027 -7.965 -4.864 691 2HB LEU 97 2HB LEU 97 -7.106 -7.148 -3.617 692 HG LEU 97 HG LEU 97 -10.090 -7.547 -3.787 693 1HD1 LEU 97 2HD1 LEU 97 -8.645 -9.312 -2.779 694 2HD1 LEU 97 3HD1 LEU 97 -8.140 -8.132 -1.546 695 3HD1 LEU 97 1HD1 LEU 97 -9.847 -8.624 -1.660 696 1HD2 LEU 97 1HD2 LEU 97 -8.579 -5.479 -2.205 697 2HD2 LEU 97 2HD2 LEU 97 -10.068 -5.304 -3.166 698 3HD2 LEU 97 3HD2 LEU 97 -10.109 -6.163 -1.607 699 H THR 98 H THR 98 -7.121 -6.968 -7.165 700 HA THR 98 HA THR 98 -4.635 -5.385 -7.084 701 HB THR 98 HB THR 98 -3.497 -7.356 -7.898 702 HG1 THR 98 HG1 THR 98 -6.221 -8.432 -8.105 703 1HG2 THR 98 1HG2 THR 98 -5.683 -8.271 -5.954 704 2HG2 THR 98 2HG2 THR 98 -4.233 -9.217 -6.365 705 3HG2 THR 98 3HG2 THR 98 -4.070 -7.668 -5.503 706 H GLY 99 H GLY 99 -7.468 -5.037 -8.389 707 1HA GLY 99 1HA GLY 99 -7.153 -5.296 -11.167 708 2HA GLY 99 2HA GLY 99 -8.271 -4.238 -10.330 709 H CYS 100 H CYS 100 -6.719 -3.674 -12.788 710 HA CYS 100 HA CYS 100 -4.720 -1.788 -11.884 711 1HB CYS 100 1HB CYS 100 -5.438 -3.065 -14.468 712 2HB CYS 100 2HB CYS 100 -4.759 -1.452 -14.550 713 H LYS 101 H LYS 101 -7.808 -1.918 -13.796 714 HA LYS 101 HA LYS 101 -8.254 0.871 -13.007 715 1HB LYS 101 1HB LYS 101 -7.517 0.934 -15.304 716 2HB LYS 101 2HB LYS 101 -8.629 -0.342 -15.758 717 1HG LYS 101 1HG LYS 101 -9.769 2.126 -14.445 718 2HG LYS 101 2HG LYS 101 -9.243 2.251 -16.112 719 1HD LYS 101 1HD LYS 101 -10.910 -0.149 -15.457 720 2HD LYS 101 2HD LYS 101 -11.736 1.394 -15.366 721 1HE LYS 101 1HE LYS 101 -12.035 1.107 -17.622 722 2HE LYS 101 2HE LYS 101 -10.397 1.719 -17.740 723 1HZ LYS 101 1HZ LYS 101 -11.090 -0.629 -18.741 724 2HZ LYS 101 2HZ LYS 101 -9.584 -0.364 -18.182 725 H LYS 102 H LYS 102 -10.353 1.367 -12.359 726 HA LYS 102 HA LYS 102 -12.442 1.029 -11.720 727 1HB LYS 102 1HB LYS 102 -12.824 0.270 -14.049 728 2HB LYS 102 2HB LYS 102 -12.443 -1.372 -13.572 729 1HG LYS 102 1HG LYS 102 -14.363 -1.522 -12.132 730 2HG LYS 102 2HG LYS 102 -14.609 0.213 -12.139 731 1HD LYS 102 1HD LYS 102 -16.270 -0.654 -13.626 732 2HD LYS 102 2HD LYS 102 -15.039 0.031 -14.669 733 1HE LYS 102 1HE LYS 102 -15.322 -2.046 -15.692 734 2HE LYS 102 2HE LYS 102 -14.012 -2.428 -14.591 735 1HZ LYS 102 1HZ LYS 102 -15.681 -4.086 -14.300 736 2HZ LYS 102 2HZ LYS 102 -15.797 -3.145 -12.976 737 H SER 103 H SER 103 -10.372 0.279 -10.046 738 HA SER 103 HA SER 103 -11.440 -2.182 -8.898 739 1HB SER 103 1HB SER 103 -8.948 -1.898 -7.740 740 2HB SER 103 2HB SER 103 -9.306 -2.931 -9.109 741 HG SER 103 HG SER 103 -8.467 -0.164 -9.312 742 H LYS 104 H LYS 104 -10.321 -2.064 -6.348 743 HA LYS 104 HA LYS 104 -11.924 -0.025 -5.164 744 1HB LYS 104 1HB LYS 104 -10.077 -2.135 -4.015 745 2HB LYS 104 2HB LYS 104 -11.010 -1.024 -3.032 746 1HG LYS 104 1HG LYS 104 -12.463 -2.559 -5.186 747 2HG LYS 104 2HG LYS 104 -11.975 -3.432 -3.747 748 1HD LYS 104 1HD LYS 104 -13.079 -1.040 -2.741 749 2HD LYS 104 2HD LYS 104 -14.125 -1.451 -4.085 750 1HE LYS 104 1HE LYS 104 -13.333 -3.488 -1.957 751 2HE LYS 104 2HE LYS 104 -14.747 -2.465 -1.794 752 1HZ LYS 104 1HZ LYS 104 -15.703 -4.188 -2.916 753 2HZ LYS 104 2HZ LYS 104 -15.139 -3.437 -4.247 754 H CYS 105 H CYS 105 -8.510 -0.474 -6.015 755 HA CYS 105 HA CYS 105 -7.683 1.732 -4.377 756 1HB CYS 105 1HB CYS 105 -6.129 0.194 -6.484 757 2HB CYS 105 2HB CYS 105 -5.459 1.328 -5.327 758 H HIS 106 H HIS 106 -7.578 0.973 -7.945 759 HA HIS 106 HA HIS 106 -7.687 3.841 -8.441 760 1HB HIS 106 1HB HIS 106 -6.991 1.513 -10.252 761 2HB HIS 106 2HB HIS 106 -7.038 3.189 -10.761 762 HD1 HIS 106 HD1 HIS 106 -5.447 4.763 -8.885 763 HD2 HIS 106 HD2 HIS 106 -4.427 0.783 -9.729 764 HE1 HIS 106 HE1 HIS 106 -2.983 4.511 -8.272 765 H GLU 107 H GLU 107 -9.341 4.810 -9.663 766 HA GLU 107 HA GLU 107 -11.624 3.044 -10.078 767 1HB GLU 107 1HB GLU 107 -13.052 5.021 -9.741 768 2HB GLU 107 2HB GLU 107 -11.995 4.790 -8.362 769 1HG GLU 107 1HG GLU 107 -10.498 6.557 -9.097 770 2HG GLU 107 2HG GLU 107 -11.275 6.654 -10.665 771 HHA HEC 108 HHA HEC 108 -0.888 6.637 7.487 772 HHB HEC 108 HHB HEC 108 -1.661 3.991 13.276 773 HHC HEC 108 HHC HEC 108 -2.567 -1.737 10.557 774 HHD HEC 108 HHD HEC 108 -1.175 0.831 4.786 775 1HMA HEC 108 1HMA HEC 108 -1.741 6.048 13.482 776 2HMA HEC 108 2HMA HEC 108 -0.141 6.729 13.102 777 3HMA HEC 108 3HMA HEC 108 -1.616 7.628 12.674 778 1HAA HEC 108 1HAA HEC 108 -0.241 7.998 8.896 779 2HAA HEC 108 2HAA HEC 108 -1.635 8.511 9.876 780 1HBA HEC 108 1HBA HEC 108 0.527 7.910 11.641 781 2HBA HEC 108 2HBA HEC 108 1.126 8.967 10.339 782 1HMB HEC 108 1HMB HEC 108 -3.751 1.797 14.732 783 2HMB HEC 108 2HMB HEC 108 -2.197 1.050 15.171 784 3HMB HEC 108 3HMB HEC 108 -2.258 2.765 14.697 785 HAB HEC 108 HAB HEC 108 -3.321 -1.838 12.402 786 1HBB HEC 108 1HBB HEC 108 -4.185 -1.157 15.034 787 2HBB HEC 108 2HBB HEC 108 -4.752 0.099 13.907 788 3HBB HEC 108 3HBB HEC 108 -5.157 -1.609 13.613 789 1HMC HEC 108 1HMC HEC 108 -3.392 -3.395 7.353 790 2HMC HEC 108 2HMC HEC 108 -1.763 -3.670 8.017 791 3HMC HEC 108 3HMC HEC 108 -3.074 -3.105 9.081 792 HAC HEC 108 HAC HEC 108 -2.056 -1.049 4.449 793 1HBC HEC 108 1HBC HEC 108 -3.095 -3.044 3.998 794 2HBC HEC 108 2HBC HEC 108 -2.524 -3.813 5.498 795 3HBC HEC 108 3HBC HEC 108 -3.840 -2.616 5.557 796 1HMD HEC 108 1HMD HEC 108 -1.476 3.075 3.000 797 2HMD HEC 108 2HMD HEC 108 0.093 3.916 3.041 798 3HMD HEC 108 3HMD HEC 108 -0.004 2.190 3.467 799 1HAD HEC 108 1HAD HEC 108 -0.647 6.865 5.491 800 2HAD HEC 108 2HAD HEC 108 0.781 6.100 4.755 801 1HBD HEC 108 1HBD HEC 108 -1.527 5.361 3.238 802 2HBD HEC 108 2HBD HEC 108 -1.533 7.124 3.482 803 HHA HEC 109 HHA HEC 109 11.688 -2.226 1.653 804 HHB HEC 109 HHB HEC 109 5.323 -1.555 1.264 805 HHC HEC 109 HHC HEC 109 5.578 3.326 5.411 806 HHD HEC 109 HHD HEC 109 12.051 3.295 4.895 807 1HMA HEC 109 1HMA HEC 109 7.329 -4.190 -0.573 808 2HMA HEC 109 2HMA HEC 109 6.329 -4.250 0.898 809 3HMA HEC 109 3HMA HEC 109 6.045 -2.984 -0.321 810 1HAA HEC 109 1HAA HEC 109 10.961 -3.885 0.780 811 2HAA HEC 109 2HAA HEC 109 9.508 -4.836 0.387 812 1HBA HEC 109 1HBA HEC 109 9.295 -3.513 -1.719 813 2HBA HEC 109 2HBA HEC 109 10.854 -2.745 -1.336 814 1HMB HEC 109 1HMB HEC 109 3.429 -0.896 1.562 815 2HMB HEC 109 2HMB HEC 109 2.830 -1.106 3.226 816 3HMB HEC 109 3HMB HEC 109 2.392 0.350 2.300 817 HAB HEC 109 HAB HEC 109 3.685 2.768 5.277 818 1HBB HEC 109 1HBB HEC 109 1.279 1.445 4.807 819 2HBB HEC 109 2HBB HEC 109 2.495 0.150 4.915 820 3HBB HEC 109 3HBB HEC 109 2.317 1.316 6.247 821 1HMC HEC 109 1HMC HEC 109 6.579 5.507 5.890 822 2HMC HEC 109 2HMC HEC 109 6.970 4.728 7.442 823 3HMC HEC 109 3HMC HEC 109 7.996 6.044 6.823 824 HAC HEC 109 HAC HEC 109 11.584 4.847 5.987 825 1HBC HEC 109 1HBC HEC 109 9.496 5.341 8.108 826 2HBC HEC 109 2HBC HEC 109 11.016 4.423 8.229 827 3HBC HEC 109 3HBC HEC 109 11.058 6.195 8.075 828 1HMD HEC 109 1HMD HEC 109 14.593 1.304 4.896 829 2HMD HEC 109 2HMD HEC 109 14.896 1.818 3.219 830 3HMD HEC 109 3HMD HEC 109 13.903 2.831 4.295 831 1HAD HEC 109 1HAD HEC 109 13.649 -1.924 2.186 832 2HAD HEC 109 2HAD HEC 109 14.328 -0.488 1.383 833 1HBD HEC 109 1HBD HEC 109 14.922 -0.622 4.253 834 2HBD HEC 109 2HBD HEC 109 15.572 -1.983 3.308 835 HHA HEC 110 HHA HEC 110 -10.215 -4.807 0.895 836 HHB HEC 110 HHB HEC 110 -6.417 0.068 -0.814 837 HHC HEC 110 HHC HEC 110 -1.457 -2.821 2.034 838 HHD HEC 110 HHD HEC 110 -5.139 -7.942 3.242 839 1HMA HEC 110 1HMA HEC 110 -8.816 0.742 -0.678 840 2HMA HEC 110 2HMA HEC 110 -8.601 -0.085 -2.240 841 3HMA HEC 110 3HMA HEC 110 -10.187 -0.107 -1.432 842 1HAA HEC 110 1HAA HEC 110 -11.258 -2.122 -1.397 843 2HAA HEC 110 2HAA HEC 110 -11.258 -3.620 -0.437 844 1HBA HEC 110 1HBA HEC 110 -11.229 -1.481 1.410 845 2HBA HEC 110 2HBA HEC 110 -12.432 -1.076 0.162 846 1HMB HEC 110 1HMB HEC 110 -4.588 1.613 -0.380 847 2HMB HEC 110 2HMB HEC 110 -2.859 1.423 -0.758 848 3HMB HEC 110 3HMB HEC 110 -4.089 0.780 -1.872 849 HAB HEC 110 HAB HEC 110 -0.777 -1.137 1.213 850 1HBB HEC 110 1HBB HEC 110 -0.643 1.487 0.166 851 2HBB HEC 110 2HBB HEC 110 -2.138 1.380 1.126 852 3HBB HEC 110 3HBB HEC 110 -0.573 0.966 1.867 853 1HMC HEC 110 1HMC HEC 110 -0.048 -6.118 2.303 854 2HMC HEC 110 2HMC HEC 110 -0.221 -4.356 2.480 855 3HMC HEC 110 3HMC HEC 110 -0.314 -5.407 3.913 856 HAC HEC 110 HAC HEC 110 -3.213 -8.117 4.312 857 1HBC HEC 110 1HBC HEC 110 -0.300 -7.536 3.739 858 2HBC HEC 110 2HBC HEC 110 -1.194 -6.920 5.149 859 3HBC HEC 110 3HBC HEC 110 -0.970 -8.672 4.934 860 1HMD HEC 110 1HMD HEC 110 -8.595 -8.835 4.060 861 2HMD HEC 110 2HMD HEC 110 -7.774 -9.566 2.660 862 3HMD HEC 110 3HMD HEC 110 -6.817 -8.846 3.977 863 1HAD HEC 110 1HAD HEC 110 -10.358 -8.152 2.748 864 2HAD HEC 110 2HAD HEC 110 -10.865 -6.446 2.713 865 1HBD HEC 110 1HBD HEC 110 -11.577 -6.611 0.613 866 2HBD HEC 110 2HBD HEC 110 -10.082 -7.415 0.079 867 HHA HEC 111 HHA HEC 111 0.418 5.497 -7.646 868 HHB HEC 111 HHB HEC 111 -0.591 2.023 -12.939 869 HHC HEC 111 HHC HEC 111 -3.301 -2.601 -9.427 870 HHD HEC 111 HHD HEC 111 -3.013 1.288 -4.243 871 1HMA HEC 111 1HMA HEC 111 0.074 4.091 -13.491 872 2HMA HEC 111 2HMA HEC 111 1.097 5.409 -12.872 873 3HMA HEC 111 3HMA HEC 111 1.751 3.759 -12.997 874 1HAA HEC 111 1HAA HEC 111 0.736 6.887 -10.665 875 2HAA HEC 111 2HAA HEC 111 1.398 6.371 -9.095 876 1HBA HEC 111 1HBA HEC 111 3.431 5.897 -9.959 877 2HBA HEC 111 2HBA HEC 111 2.771 5.333 -11.512 878 1HMB HEC 111 1HMB HEC 111 -1.865 -0.865 -14.390 879 2HMB HEC 111 2HMB HEC 111 -0.665 0.411 -14.073 880 3HMB HEC 111 3HMB HEC 111 -0.229 -1.299 -13.840 881 HAB HEC 111 HAB HEC 111 -3.347 -3.166 -11.459 882 1HBB HEC 111 1HBB HEC 111 -0.953 -4.154 -12.776 883 2HBB HEC 111 2HBB HEC 111 -0.596 -3.446 -11.182 884 3HBB HEC 111 3HBB HEC 111 -1.798 -4.751 -11.327 885 1HMC HEC 111 1HMC HEC 111 -4.260 -3.658 -6.211 886 2HMC HEC 111 2HMC HEC 111 -5.701 -2.793 -6.799 887 3HMC HEC 111 3HMC HEC 111 -4.477 -3.371 -7.955 888 HAC HEC 111 HAC HEC 111 -3.862 -0.442 -3.660 889 1HBC HEC 111 1HBC HEC 111 -5.135 -3.079 -4.115 890 2HBC HEC 111 2HBC HEC 111 -3.373 -2.993 -4.349 891 3HBC HEC 111 3HBC HEC 111 -4.088 -2.512 -2.792 892 1HMD HEC 111 1HMD HEC 111 -0.740 3.105 -2.703 893 2HMD HEC 111 2HMD HEC 111 -1.914 4.427 -2.910 894 3HMD HEC 111 3HMD HEC 111 -2.455 2.734 -3.006 895 1HAD HEC 111 1HAD HEC 111 0.600 5.299 -4.028 896 2HAD HEC 111 2HAD HEC 111 0.734 5.896 -5.699 897 1HBD HEC 111 1HBD HEC 111 -1.635 6.812 -5.376 898 2HBD HEC 111 2HBD HEC 111 -1.378 6.508 -3.641 No H/Q in entry = 898 Start of MODEL 4 1 1H ALA 1 1H ALA 1 2.252 2.854 22.030 2 2H ALA 1 2H ALA 1 0.656 3.135 22.374 3 HA ALA 1 HA ALA 1 1.825 3.767 20.125 4 1HB ALA 1 1HB ALA 1 1.831 1.053 19.985 5 2HB ALA 1 2HB ALA 1 0.252 1.398 19.240 6 3HB ALA 1 3HB ALA 1 1.733 2.109 18.556 7 HA PRO 2 HA PRO 2 -2.119 5.549 20.011 8 1HB PRO 2 1HB PRO 2 -1.986 6.894 17.635 9 2HB PRO 2 2HB PRO 2 -1.283 7.502 19.121 10 1HG PRO 2 1HG PRO 2 0.073 6.301 16.785 11 2HG PRO 2 2HG PRO 2 0.756 7.284 18.065 12 1HD PRO 2 1HD PRO 2 0.980 4.439 17.780 13 2HD PRO 2 2HD PRO 2 1.563 5.407 19.120 14 H LYS 3 H LYS 3 -4.105 5.939 18.484 15 HA LYS 3 HA LYS 3 -4.657 3.269 17.489 16 1HB LYS 3 1HB LYS 3 -6.399 5.676 18.068 17 2HB LYS 3 2HB LYS 3 -7.005 4.217 17.312 18 1HG LYS 3 1HG LYS 3 -6.131 2.887 19.286 19 2HG LYS 3 2HG LYS 3 -5.661 4.393 20.050 20 1HD LYS 3 1HD LYS 3 -7.858 5.027 20.493 21 2HD LYS 3 2HD LYS 3 -8.496 4.219 19.075 22 1HE LYS 3 1HE LYS 3 -8.042 1.990 20.208 23 2HE LYS 3 2HE LYS 3 -7.554 2.863 21.646 24 1HZ LYS 3 1HZ LYS 3 -10.238 2.600 20.505 25 2HZ LYS 3 2HZ LYS 3 -9.783 2.564 22.068 26 H ALA 4 H ALA 4 -6.059 3.216 15.383 27 HA ALA 4 HA ALA 4 -4.422 4.195 13.319 28 1HB ALA 4 2HB ALA 4 -7.196 2.955 13.402 29 2HB ALA 4 3HB ALA 4 -6.342 3.337 11.888 30 3HB ALA 4 1HB ALA 4 -5.652 2.154 13.025 31 HA PRO 5 HA PRO 5 -6.156 8.093 12.613 32 1HB PRO 5 1HB PRO 5 -5.613 8.477 9.962 33 2HB PRO 5 2HB PRO 5 -4.421 8.702 11.227 34 1HG PRO 5 1HG PRO 5 -4.680 6.476 9.299 35 2HG PRO 5 2HG PRO 5 -3.292 6.936 10.265 36 1HD PRO 5 1HD PRO 5 -5.077 4.745 10.758 37 2HD PRO 5 2HD PRO 5 -3.759 5.276 11.785 38 H ALA 6 H ALA 6 -7.663 9.450 11.159 39 HA ALA 6 HA ALA 6 -10.113 8.100 11.186 40 1HB ALA 6 1HB ALA 6 -9.105 10.741 10.791 41 2HB ALA 6 2HB ALA 6 -10.151 10.360 9.402 42 3HB ALA 6 3HB ALA 6 -10.791 10.236 11.058 43 H ASP 7 H ASP 7 -11.550 7.693 9.284 44 HA ASP 7 HA ASP 7 -10.105 6.175 7.389 45 1HB ASP 7 1HB ASP 7 -12.351 5.524 8.276 46 2HB ASP 7 2HB ASP 7 -13.060 6.939 7.524 47 H GLY 8 H GLY 8 -10.594 6.468 4.931 48 1HA GLY 8 1HA GLY 8 -10.999 7.773 3.086 49 2HA GLY 8 2HA GLY 8 -11.325 9.157 4.109 50 H LEU 9 H LEU 9 -8.431 7.190 4.693 51 HA LEU 9 HA LEU 9 -6.782 9.478 4.260 52 1HB LEU 9 1HB LEU 9 -6.209 8.117 6.070 53 2HB LEU 9 2HB LEU 9 -6.334 6.641 5.134 54 HG LEU 9 HG LEU 9 -4.001 7.807 5.813 55 1HD1 LEU 9 3HD1 LEU 9 -4.701 5.589 4.510 56 2HD1 LEU 9 1HD1 LEU 9 -4.005 6.490 3.142 57 3HD1 LEU 9 2HD1 LEU 9 -3.019 6.165 4.587 58 1HD2 LEU 9 2HD2 LEU 9 -4.805 9.732 4.181 59 2HD2 LEU 9 3HD2 LEU 9 -3.097 9.241 4.284 60 3HD2 LEU 9 1HD2 LEU 9 -4.115 8.648 2.950 61 H LYS 10 H LYS 10 -6.695 10.144 2.137 62 HA LYS 10 HA LYS 10 -6.035 8.080 0.166 63 1HB LYS 10 1HB LYS 10 -8.021 9.252 -0.430 64 2HB LYS 10 2HB LYS 10 -7.308 10.812 -0.075 65 1HG LYS 10 1HG LYS 10 -5.553 10.243 -1.911 66 2HG LYS 10 2HG LYS 10 -6.622 8.933 -2.371 67 1HD LYS 10 1HD LYS 10 -7.424 10.624 -3.763 68 2HD LYS 10 2HD LYS 10 -8.486 10.832 -2.385 69 1HE LYS 10 1HE LYS 10 -6.015 12.332 -1.966 70 2HE LYS 10 2HE LYS 10 -6.719 12.764 -3.512 71 1HZ LYS 10 1HZ LYS 10 -8.796 12.629 -1.629 72 2HZ LYS 10 2HZ LYS 10 -7.611 13.530 -0.967 73 H MET 11 H MET 11 -4.196 8.282 -1.167 74 HA MET 11 HA MET 11 -2.353 10.354 -0.254 75 1HB MET 11 1HB MET 11 -0.538 8.644 -0.806 76 2HB MET 11 2HB MET 11 -1.581 8.155 0.514 77 1HG MET 11 1HG MET 11 -2.777 7.268 -1.976 78 2HG MET 11 2HG MET 11 -1.097 6.771 -1.959 79 1HE MET 11 1HE MET 11 0.043 5.598 -0.359 80 2HE MET 11 2HE MET 11 -0.612 4.471 0.852 81 3HE MET 11 3HE MET 11 -0.775 4.106 -0.882 82 H GLU 12 H GLU 12 -2.362 11.887 -1.868 83 HA GLU 12 HA GLU 12 -2.369 10.886 -4.596 84 1HB GLU 12 1HB GLU 12 -4.099 12.594 -3.836 85 2HB GLU 12 2HB GLU 12 -2.796 13.747 -3.635 86 1HG GLU 12 1HG GLU 12 -3.004 12.294 -6.272 87 2HG GLU 12 2HG GLU 12 -4.167 13.562 -5.939 88 H ALA 13 H ALA 13 -0.013 10.225 -3.990 89 HA ALA 13 HA ALA 13 1.794 12.515 -4.090 90 1HB ALA 13 1HB ALA 13 1.845 10.316 -2.527 91 2HB ALA 13 2HB ALA 13 2.783 9.701 -3.909 92 3HB ALA 13 3HB ALA 13 3.323 11.161 -3.046 93 H THR 14 H THR 14 0.158 10.352 -6.158 94 HA THR 14 HA THR 14 2.098 10.938 -8.282 95 HB THR 14 HB THR 14 1.740 8.596 -9.114 96 HG1 THR 14 HG1 THR 14 -0.400 8.696 -7.733 97 1HG2 THR 14 1HG2 THR 14 2.736 9.003 -6.268 98 2HG2 THR 14 2HG2 THR 14 2.651 7.367 -6.963 99 3HG2 THR 14 3HG2 THR 14 3.677 8.605 -7.726 100 H LYS 15 H LYS 15 0.963 10.266 -10.506 101 HA LYS 15 HA LYS 15 -1.192 12.050 -10.733 102 1HB LYS 15 1HB LYS 15 0.514 11.477 -12.496 103 2HB LYS 15 2HB LYS 15 -0.301 9.942 -12.720 104 1HG LYS 15 1HG LYS 15 -2.153 12.257 -12.750 105 2HG LYS 15 2HG LYS 15 -0.947 12.325 -14.020 106 1HD LYS 15 1HD LYS 15 -1.582 9.807 -14.453 107 2HD LYS 15 2HD LYS 15 -3.014 10.159 -13.507 108 1HE LYS 15 1HE LYS 15 -2.356 12.140 -15.659 109 2HE LYS 15 2HE LYS 15 -2.858 10.554 -16.210 110 1HZ LYS 15 1HZ LYS 15 -4.897 11.530 -15.910 111 2HZ LYS 15 2HZ LYS 15 -4.725 10.975 -14.389 112 H GLN 16 H GLN 16 -1.002 8.817 -9.590 113 HA GLN 16 HA GLN 16 -3.869 8.543 -10.063 114 1HB GLN 16 1HB GLN 16 -1.893 6.258 -9.667 115 2HB GLN 16 2HB GLN 16 -3.584 6.118 -10.102 116 1HG GLN 16 1HG GLN 16 -1.940 7.850 -11.903 117 2HG GLN 16 2HG GLN 16 -1.531 6.146 -11.925 118 1HE2 GLN 16 2HE2 GLN 16 -4.844 5.077 -12.978 119 2HE2 GLN 16 1HE2 GLN 16 -3.638 4.716 -11.788 120 HA PRO 17 HA PRO 17 -3.565 8.852 -5.640 121 1HB PRO 17 1HB PRO 17 -6.072 9.860 -5.228 122 2HB PRO 17 2HB PRO 17 -4.670 10.869 -5.521 123 1HG PRO 17 1HG PRO 17 -6.885 10.196 -7.359 124 2HG PRO 17 2HG PRO 17 -5.726 11.506 -7.470 125 1HD PRO 17 1HD PRO 17 -5.710 9.068 -8.981 126 2HD PRO 17 2HD PRO 17 -4.490 10.326 -9.008 127 H VAL 18 H VAL 18 -4.443 7.764 -3.790 128 HA VAL 18 HA VAL 18 -6.407 5.740 -4.536 129 HB VAL 18 HB VAL 18 -3.669 5.215 -3.374 130 1HG1 VAL 18 3HG1 VAL 18 -6.188 3.774 -2.982 131 2HG1 VAL 18 1HG1 VAL 18 -4.907 2.753 -3.679 132 3HG1 VAL 18 2HG1 VAL 18 -4.627 3.605 -2.142 133 1HG2 VAL 18 1HG2 VAL 18 -4.960 4.802 -6.002 134 2HG2 VAL 18 2HG2 VAL 18 -3.239 4.967 -5.577 135 3HG2 VAL 18 3HG2 VAL 18 -4.059 3.400 -5.374 136 H VAL 19 H VAL 19 -7.706 5.040 -2.777 137 HA VAL 19 HA VAL 19 -7.341 6.688 -0.371 138 HB VAL 19 HB VAL 19 -9.800 5.650 -1.776 139 1HG1 VAL 19 1HG1 VAL 19 -9.413 6.058 1.058 140 2HG1 VAL 19 2HG1 VAL 19 -10.589 7.233 0.423 141 3HG1 VAL 19 3HG1 VAL 19 -10.854 5.489 0.183 142 1HG2 VAL 19 3HG2 VAL 19 -8.387 8.051 -1.984 143 2HG2 VAL 19 1HG2 VAL 19 -10.044 7.733 -2.552 144 3HG2 VAL 19 2HG2 VAL 19 -9.776 8.441 -0.941 145 H PHE 20 H PHE 20 -6.641 5.583 1.375 146 HA PHE 20 HA PHE 20 -7.156 2.693 1.415 147 1HB PHE 20 1HB PHE 20 -4.777 3.618 1.452 148 2HB PHE 20 2HB PHE 20 -5.181 4.559 2.873 149 HD1 PHE 20 HD2 PHE 20 -4.918 1.047 1.633 150 HD2 PHE 20 HD1 PHE 20 -4.925 3.646 5.031 151 HE1 PHE 20 HE2 PHE 20 -4.211 -0.888 3.123 152 HE2 PHE 20 HE1 PHE 20 -4.218 1.703 6.510 153 HZ PHE 20 HZ PHE 20 -3.857 -0.572 5.433 154 H ASN 21 H ASN 21 -7.885 1.677 3.368 155 HA ASN 21 HA ASN 21 -9.005 3.583 5.268 156 1HB ASN 21 1HB ASN 21 -10.273 0.911 4.484 157 2HB ASN 21 2HB ASN 21 -10.989 2.152 5.493 158 1HD2 ASN 21 2HD2 ASN 21 -11.755 4.418 2.844 159 2HD2 ASN 21 1HD2 ASN 21 -11.253 4.319 4.499 160 H HIS 22 H HIS 22 -8.716 2.979 7.484 161 HA HIS 22 HA HIS 22 -6.942 0.723 7.881 162 1HB HIS 22 1HB HIS 22 -7.652 3.194 9.413 163 2HB HIS 22 2HB HIS 22 -7.060 1.808 10.307 164 HD1 HIS 22 HD1 HIS 22 -5.975 4.473 7.903 165 HD2 HIS 22 HD2 HIS 22 -4.337 1.112 9.805 166 HE1 HIS 22 HE1 HIS 22 -3.448 4.632 7.586 167 H SER 23 H SER 23 -10.282 1.741 8.368 168 HA SER 23 HA SER 23 -10.823 -0.157 10.384 169 1HB SER 23 1HB SER 23 -12.663 1.388 8.505 170 2HB SER 23 2HB SER 23 -13.232 0.407 9.842 171 HG SER 23 HG SER 23 -11.502 1.891 11.054 172 H THR 24 H THR 24 -9.967 -0.541 7.181 173 HA THR 24 HA THR 24 -11.773 -2.820 6.759 174 HB THR 24 HB THR 24 -10.009 -1.158 4.885 175 HG1 THR 24 HG1 THR 24 -12.097 -0.298 5.732 176 1HG2 THR 24 3HG2 THR 24 -11.170 -3.826 4.549 177 2HG2 THR 24 1HG2 THR 24 -11.966 -2.660 3.465 178 3HG2 THR 24 2HG2 THR 24 -10.201 -2.881 3.394 179 H HIS 25 H HIS 25 -8.403 -1.859 7.300 180 HA HIS 25 HA HIS 25 -7.628 -4.646 6.909 181 1HB HIS 25 1HB HIS 25 -5.938 -2.141 7.144 182 2HB HIS 25 2HB HIS 25 -5.311 -3.763 6.929 183 HD1 HIS 25 HD1 HIS 25 -7.470 -1.201 5.097 184 HD2 HIS 25 HD2 HIS 25 -5.171 -4.620 4.308 185 HE1 HIS 25 HE1 HIS 25 -7.357 -1.416 2.557 186 H LYS 26 H LYS 26 -9.268 -3.884 9.172 187 HA LYS 26 HA LYS 26 -7.680 -3.405 11.441 188 1HB LYS 26 1HB LYS 26 -10.414 -4.705 11.256 189 2HB LYS 26 2HB LYS 26 -9.689 -4.009 12.692 190 1HG LYS 26 1HG LYS 26 -9.581 -1.778 11.543 191 2HG LYS 26 2HG LYS 26 -10.335 -2.480 10.126 192 1HD LYS 26 1HD LYS 26 -12.374 -2.099 11.035 193 2HD LYS 26 2HD LYS 26 -11.992 -3.211 12.335 194 1HE LYS 26 1HE LYS 26 -10.967 -0.353 12.429 195 2HE LYS 26 2HE LYS 26 -12.612 -0.712 12.915 196 1HZ LYS 26 1HZ LYS 26 -10.996 -2.600 14.166 197 2HZ LYS 26 2HZ LYS 26 -10.233 -1.176 14.372 198 H SER 27 H SER 27 -8.860 -6.397 9.813 199 HA SER 27 HA SER 27 -7.859 -8.092 11.802 200 1HB SER 27 1HB SER 27 -8.355 -9.890 10.243 201 2HB SER 27 2HB SER 27 -9.639 -8.702 10.144 202 HG SER 27 HG SER 27 -9.200 -8.942 8.027 203 H VAL 28 H VAL 28 -6.279 -6.082 9.584 204 HA VAL 28 HA VAL 28 -4.052 -7.912 9.162 205 HB VAL 28 HB VAL 28 -4.485 -5.089 8.170 206 1HG1 VAL 28 1HG1 VAL 28 -2.543 -7.278 7.365 207 2HG1 VAL 28 2HG1 VAL 28 -2.818 -5.789 6.429 208 3HG1 VAL 28 3HG1 VAL 28 -2.158 -5.694 8.080 209 1HG2 VAL 28 2HG2 VAL 28 -5.586 -7.678 7.261 210 2HG2 VAL 28 3HG2 VAL 28 -6.163 -6.018 6.978 211 3HG2 VAL 28 1HG2 VAL 28 -4.844 -6.684 5.985 212 H LYS 29 H LYS 29 -2.003 -7.616 10.069 213 HA LYS 29 HA LYS 29 -1.989 -6.157 12.517 214 1HB LYS 29 1HB LYS 29 -0.507 -8.285 11.298 215 2HB LYS 29 2HB LYS 29 0.626 -7.042 11.792 216 1HG LYS 29 1HG LYS 29 0.168 -7.313 14.043 217 2HG LYS 29 2HG LYS 29 -1.529 -7.654 13.771 218 1HD LYS 29 1HD LYS 29 0.615 -9.648 12.949 219 2HD LYS 29 2HD LYS 29 0.010 -9.604 14.593 220 1HE LYS 29 1HE LYS 29 -1.812 -10.801 13.972 221 2HE LYS 29 2HE LYS 29 -2.280 -9.536 12.854 222 1HZ LYS 29 1HZ LYS 29 -1.278 -10.626 11.101 223 2HZ LYS 29 2HZ LYS 29 -0.143 -11.359 12.010 224 H CYS 30 H CYS 30 -0.854 -4.269 13.054 225 HA CYS 30 HA CYS 30 -0.650 -2.384 11.015 226 1HB CYS 30 1HB CYS 30 0.776 -2.123 13.649 227 2HB CYS 30 2HB CYS 30 0.055 -0.871 12.657 228 H GLY 31 H GLY 31 1.603 -4.729 12.461 229 1HA GLY 31 1HA GLY 31 3.983 -3.528 11.391 230 2HA GLY 31 2HA GLY 31 3.820 -5.098 12.153 231 H ASP 32 H ASP 32 1.353 -5.095 9.932 232 HA ASP 32 HA ASP 32 2.858 -6.747 8.182 233 1HB ASP 32 1HB ASP 32 0.452 -7.155 8.877 234 2HB ASP 32 2HB ASP 32 -0.019 -5.747 7.946 235 H CYS 33 H CYS 33 1.518 -3.441 8.288 236 HA CYS 33 HA CYS 33 2.338 -3.040 5.510 237 1HB CYS 33 1HB CYS 33 0.190 -1.849 7.203 238 2HB CYS 33 2HB CYS 33 0.981 -0.781 6.061 239 H HIS 34 H HIS 34 2.279 -1.455 8.789 240 HA HIS 34 HA HIS 34 4.349 0.352 8.035 241 1HB HIS 34 1HB HIS 34 3.108 -0.265 10.731 242 2HB HIS 34 2HB HIS 34 4.224 1.049 10.415 243 HD1 HIS 34 HD1 HIS 34 3.343 3.021 8.839 244 HD2 HIS 34 HD2 HIS 34 0.455 0.217 10.019 245 HE1 HIS 34 HE1 HIS 34 1.075 4.082 8.349 246 H HIS 35 H HIS 35 5.521 -1.873 7.299 247 HA HIS 35 HA HIS 35 6.657 -3.598 8.998 248 1HB HIS 35 1HB HIS 35 8.468 -3.833 7.401 249 2HB HIS 35 2HB HIS 35 6.934 -3.647 6.573 250 HD1 HIS 35 HD1 HIS 35 9.925 -1.471 7.584 251 HD2 HIS 35 HD2 HIS 35 6.947 -1.708 4.640 252 HE1 HIS 35 HE1 HIS 35 10.451 0.360 5.886 253 HA PRO 36 HA PRO 36 9.272 -1.373 11.629 254 1HB PRO 36 1HB PRO 36 10.980 -3.337 12.462 255 2HB PRO 36 2HB PRO 36 9.373 -3.120 13.125 256 1HG PRO 36 1HG PRO 36 10.336 -5.179 11.236 257 2HG PRO 36 2HG PRO 36 8.889 -5.188 12.225 258 1HD PRO 36 1HD PRO 36 9.039 -4.664 9.409 259 2HD PRO 36 2HD PRO 36 7.612 -4.559 10.420 260 H VAL 37 H VAL 37 10.574 0.232 11.038 261 HA VAL 37 HA VAL 37 12.546 -0.418 9.023 262 HB VAL 37 HB VAL 37 11.555 2.121 10.311 263 1HG1 VAL 37 3HG1 VAL 37 14.017 2.264 9.913 264 2HG1 VAL 37 1HG1 VAL 37 13.721 1.921 8.192 265 3HG1 VAL 37 2HG1 VAL 37 13.067 3.404 8.929 266 1HG2 VAL 37 2HG2 VAL 37 11.147 0.709 7.713 267 2HG2 VAL 37 3HG2 VAL 37 10.004 1.648 8.702 268 3HG2 VAL 37 1HG2 VAL 37 11.199 2.488 7.684 269 H ASN 38 H ASN 38 12.658 1.455 12.140 270 HA ASN 38 HA ASN 38 15.389 0.549 12.404 271 1HB ASN 38 1HB ASN 38 14.037 2.985 12.980 272 2HB ASN 38 2HB ASN 38 14.397 2.300 14.553 273 1HD2 ASN 38 2HD2 ASN 38 17.524 3.804 14.392 274 2HD2 ASN 38 1HD2 ASN 38 15.974 3.668 15.155 275 H GLY 39 H GLY 39 13.188 -1.357 12.802 276 1HA GLY 39 1HA GLY 39 12.873 -3.079 14.261 277 2HA GLY 39 2HA GLY 39 13.821 -2.244 15.476 278 H LYS 40 H LYS 40 11.682 0.061 14.312 279 HA LYS 40 HA LYS 40 9.708 -0.642 16.372 280 1HB LYS 40 1HB LYS 40 9.450 1.711 16.836 281 2HB LYS 40 2HB LYS 40 11.138 1.270 16.997 282 1HG LYS 40 1HG LYS 40 11.544 2.105 14.646 283 2HG LYS 40 2HG LYS 40 9.870 2.619 14.566 284 1HD LYS 40 1HD LYS 40 10.481 3.895 16.837 285 2HD LYS 40 2HD LYS 40 12.122 3.743 16.242 286 1HE LYS 40 1HE LYS 40 10.316 4.632 14.106 287 2HE LYS 40 2HE LYS 40 10.218 5.702 15.490 288 1HZ LYS 40 1HZ LYS 40 12.014 6.368 13.996 289 2HZ LYS 40 2HZ LYS 40 12.654 5.910 15.421 290 H GLU 41 H GLU 41 7.475 -0.077 15.924 291 HA GLU 41 HA GLU 41 7.023 0.009 13.048 292 1HB GLU 41 1HB GLU 41 5.536 -1.271 15.344 293 2HB GLU 41 2HB GLU 41 4.647 -0.832 13.900 294 1HG GLU 41 1HG GLU 41 5.515 -2.575 12.721 295 2HG GLU 41 2HG GLU 41 7.153 -2.177 13.196 296 H ASP 42 H ASP 42 7.488 2.448 13.455 297 HA ASP 42 HA ASP 42 5.525 3.879 14.877 298 1HB ASP 42 1HB ASP 42 6.597 5.875 13.802 299 2HB ASP 42 2HB ASP 42 7.758 4.814 14.573 300 H TYR 43 H TYR 43 3.566 4.734 14.079 301 HA TYR 43 HA TYR 43 2.728 3.884 11.474 302 1HB TYR 43 1HB TYR 43 1.478 5.811 13.526 303 2HB TYR 43 2HB TYR 43 0.603 4.923 12.294 304 HD1 TYR 43 HD1 TYR 43 2.301 2.294 12.813 305 HD2 TYR 43 HD2 TYR 43 0.068 4.947 15.319 306 HE1 TYR 43 HE1 TYR 43 1.898 0.405 14.466 307 HE2 TYR 43 HE2 TYR 43 -0.327 3.048 16.963 308 HH TYR 43 HH TYR 43 -0.137 0.914 17.324 309 H ARG 44 H ARG 44 3.988 4.989 9.914 310 HA ARG 44 HA ARG 44 3.436 7.846 9.873 311 1HB ARG 44 1HB ARG 44 5.988 6.503 9.918 312 2HB ARG 44 2HB ARG 44 5.811 7.222 8.330 313 1HG ARG 44 1HG ARG 44 5.475 9.431 9.253 314 2HG ARG 44 2HG ARG 44 5.234 8.800 10.870 315 1HD ARG 44 1HD ARG 44 7.701 7.818 10.518 316 2HD ARG 44 2HD ARG 44 7.811 9.082 9.310 317 HE ARG 44 HE ARG 44 6.789 9.944 11.946 318 1HH1 ARG 44 2HH2 ARG 44 9.607 9.650 9.818 319 2HH1 ARG 44 1HH2 ARG 44 10.534 10.836 10.676 320 HH2 ARG 44 HH1 ARG 44 9.575 11.915 12.590 321 H LYS 45 H LYS 45 3.967 8.675 7.422 322 HA LYS 45 HA LYS 45 2.232 7.083 5.764 323 1HB LYS 45 1HB LYS 45 3.553 9.783 5.376 324 2HB LYS 45 2HB LYS 45 2.506 9.029 4.192 325 1HG LYS 45 1HG LYS 45 0.772 10.011 5.290 326 2HG LYS 45 2HG LYS 45 1.008 8.804 6.538 327 1HD LYS 45 1HD LYS 45 1.588 10.432 8.001 328 2HD LYS 45 2HD LYS 45 2.974 10.831 7.005 329 1HE LYS 45 1HE LYS 45 0.350 11.872 6.014 330 2HE LYS 45 2HE LYS 45 0.910 12.568 7.522 331 1HZ LYS 45 1HZ LYS 45 1.717 13.616 5.329 332 2HZ LYS 45 2HZ LYS 45 2.835 13.385 6.490 333 H CYS 46 H CYS 46 2.824 5.758 4.100 334 HA CYS 46 HA CYS 46 5.406 4.814 3.969 335 1HB CYS 46 1HB CYS 46 3.553 4.675 1.610 336 2HB CYS 46 2HB CYS 46 4.714 3.491 2.175 337 H GLY 47 H GLY 47 3.636 7.245 1.946 338 1HA GLY 47 1HA GLY 47 5.934 7.769 0.286 339 2HA GLY 47 2HA GLY 47 4.385 8.589 0.270 340 H THR 48 H THR 48 6.832 8.071 2.909 341 HA THR 48 HA THR 48 6.656 10.929 3.495 342 HB THR 48 HB THR 48 7.417 8.396 4.961 343 HG1 THR 48 HG1 THR 48 5.588 9.159 5.948 344 1HG2 THR 48 1HG2 THR 48 8.197 11.230 5.830 345 2HG2 THR 48 2HG2 THR 48 8.348 9.755 6.815 346 3HG2 THR 48 3HG2 THR 48 9.356 9.962 5.362 347 H ALA 49 H ALA 49 8.254 12.380 3.162 348 HA ALA 49 HA ALA 49 10.239 11.832 1.326 349 1HB ALA 49 3HB ALA 49 9.309 14.031 2.943 350 2HB ALA 49 1HB ALA 49 11.087 13.987 2.986 351 3HB ALA 49 2HB ALA 49 10.236 14.075 1.425 352 H GLY 50 H GLY 50 11.890 10.404 1.516 353 1HA GLY 50 1HA GLY 50 14.071 10.132 2.534 354 2HA GLY 50 2HA GLY 50 13.321 10.340 4.104 355 H CYS 51 H CYS 51 10.894 8.719 2.819 356 HA CYS 51 HA CYS 51 12.073 6.137 3.505 357 1HB CYS 51 1HB CYS 51 9.203 7.114 3.580 358 2HB CYS 51 2HB CYS 51 9.658 5.438 3.816 359 H HIS 52 H HIS 52 9.026 6.686 1.707 360 HA HIS 52 HA HIS 52 10.284 5.373 -0.587 361 1HB HIS 52 1HB HIS 52 7.423 5.356 0.402 362 2HB HIS 52 2HB HIS 52 7.904 4.735 -1.164 363 HD1 HIS 52 HD1 HIS 52 9.913 2.781 -0.980 364 HD2 HIS 52 HD2 HIS 52 7.497 3.473 2.379 365 HE1 HIS 52 HE1 HIS 52 10.137 0.714 0.500 366 H ASP 53 H ASP 53 11.134 7.570 -1.160 367 HA ASP 53 HA ASP 53 9.057 8.978 -2.625 368 1HB ASP 53 1HB ASP 53 9.988 10.072 -0.371 369 2HB ASP 53 2HB ASP 53 11.360 10.494 -1.376 370 H SER 54 H SER 54 10.057 7.575 -4.389 371 HA SER 54 HA SER 54 12.706 8.522 -5.136 372 1HB SER 54 1HB SER 54 12.364 6.040 -4.809 373 2HB SER 54 2HB SER 54 11.207 6.055 -6.125 374 HG SER 54 HG SER 54 13.706 5.584 -6.452 375 H MET 55 H MET 55 9.294 8.208 -6.106 376 HA MET 55 HA MET 55 8.168 8.874 -7.854 377 1HB MET 55 1HB MET 55 10.010 11.050 -7.072 378 2HB MET 55 2HB MET 55 9.539 11.196 -8.753 379 1HG MET 55 1HG MET 55 7.730 12.302 -7.834 380 2HG MET 55 2HG MET 55 7.090 10.675 -7.709 381 1HE MET 55 2HE MET 55 6.302 9.697 -5.925 382 2HE MET 55 3HE MET 55 7.793 9.157 -5.117 383 3HE MET 55 1HE MET 55 6.553 10.043 -4.198 384 H ASP 56 H ASP 56 10.246 6.941 -8.477 385 HA ASP 56 HA ASP 56 11.128 7.882 -11.081 386 1HB ASP 56 1HB ASP 56 12.690 6.786 -9.265 387 2HB ASP 56 2HB ASP 56 11.950 5.274 -9.755 388 H LYS 57 H LYS 57 9.196 5.474 -9.281 389 HA LYS 57 HA LYS 57 7.617 4.063 -9.916 390 1HB LYS 57 1HB LYS 57 6.846 5.924 -11.367 391 2HB LYS 57 2HB LYS 57 7.845 5.313 -12.670 392 1HG LYS 57 1HG LYS 57 6.029 3.304 -11.398 393 2HG LYS 57 2HG LYS 57 5.227 4.587 -12.281 394 1HD LYS 57 1HD LYS 57 7.476 3.670 -13.858 395 2HD LYS 57 2HD LYS 57 6.561 2.268 -13.340 396 1HE LYS 57 1HE LYS 57 4.456 3.336 -14.203 397 2HE LYS 57 2HE LYS 57 5.388 4.719 -14.743 398 1HZ LYS 57 1HZ LYS 57 4.920 2.744 -16.371 399 2HZ LYS 57 2HZ LYS 57 6.372 3.481 -16.420 400 H LYS 58 H LYS 58 9.866 4.297 -12.768 401 HA LYS 58 HA LYS 58 10.011 1.396 -12.767 402 1HB LYS 58 1HB LYS 58 9.629 2.881 -14.838 403 2HB LYS 58 2HB LYS 58 11.332 3.277 -14.726 404 1HG LYS 58 1HG LYS 58 11.796 0.741 -14.681 405 2HG LYS 58 2HG LYS 58 10.108 0.507 -15.089 406 1HD LYS 58 1HD LYS 58 10.342 1.528 -17.222 407 2HD LYS 58 2HD LYS 58 11.803 2.381 -16.765 408 1HE LYS 58 1HE LYS 58 13.092 0.668 -17.508 409 2HE LYS 58 2HE LYS 58 12.273 -0.460 -16.447 410 1HZ LYS 58 1HZ LYS 58 11.090 -1.247 -18.178 411 2HZ LYS 58 2HZ LYS 58 10.647 0.231 -18.698 412 H ASP 59 H ASP 59 11.081 1.594 -10.535 413 HA ASP 59 HA ASP 59 13.930 1.644 -11.033 414 1HB ASP 59 1HB ASP 59 13.716 3.785 -10.038 415 2HB ASP 59 2HB ASP 59 12.414 3.273 -8.982 416 H LYS 60 H LYS 60 11.194 1.062 -8.715 417 HA LYS 60 HA LYS 60 10.729 -0.609 -7.349 418 1HB LYS 60 1HB LYS 60 12.737 -2.115 -9.048 419 2HB LYS 60 2HB LYS 60 11.758 -2.863 -7.802 420 1HG LYS 60 1HG LYS 60 10.208 -3.161 -9.449 421 2HG LYS 60 2HG LYS 60 9.833 -1.465 -9.213 422 1HD LYS 60 1HD LYS 60 11.242 -0.784 -11.044 423 2HD LYS 60 2HD LYS 60 12.044 -2.341 -11.113 424 1HE LYS 60 1HE LYS 60 10.492 -3.120 -12.572 425 2HE LYS 60 2HE LYS 60 9.205 -2.790 -11.428 426 1HZ LYS 60 1HZ LYS 60 9.323 -0.413 -12.236 427 2HZ LYS 60 2HZ LYS 60 10.310 -0.906 -13.434 428 H SER 61 H SER 61 13.539 -2.444 -7.089 429 HA SER 61 HA SER 61 15.107 -2.619 -5.600 430 1HB SER 61 1HB SER 61 14.993 0.343 -5.976 431 2HB SER 61 2HB SER 61 15.820 -0.202 -4.531 432 HG SER 61 HG SER 61 17.194 0.019 -6.483 433 H ALA 62 H ALA 62 13.517 0.310 -4.159 434 HA ALA 62 HA ALA 62 11.924 -1.108 -2.346 435 1HB ALA 62 3HB ALA 62 14.740 -0.882 -1.643 436 2HB ALA 62 1HB ALA 62 13.720 -0.019 -0.467 437 3HB ALA 62 2HB ALA 62 13.429 -1.743 -0.800 438 H LYS 63 H LYS 63 13.940 1.793 -3.043 439 HA LYS 63 HA LYS 63 12.370 3.568 -1.531 440 1HB LYS 63 1HB LYS 63 14.385 3.887 -3.753 441 2HB LYS 63 2HB LYS 63 13.517 5.269 -3.114 442 1HG LYS 63 1HG LYS 63 14.830 3.361 -1.169 443 2HG LYS 63 2HG LYS 63 15.842 4.492 -2.046 444 1HD LYS 63 1HD LYS 63 13.729 6.110 -1.193 445 2HD LYS 63 2HD LYS 63 13.919 4.998 0.149 446 1HE LYS 63 1HE LYS 63 15.848 6.003 0.814 447 2HE LYS 63 2HE LYS 63 16.542 5.879 -0.790 448 1HZ LYS 63 1HZ LYS 63 15.390 7.905 -1.420 449 2HZ LYS 63 2HZ LYS 63 14.615 7.994 0.009 450 H GLY 64 H GLY 64 11.910 1.965 -4.607 451 1HA GLY 64 1HA GLY 64 10.266 3.804 -5.921 452 2HA GLY 64 2HA GLY 64 10.263 2.064 -6.131 453 H TYR 65 H TYR 65 8.741 4.822 -4.529 454 HA TYR 65 HA TYR 65 7.166 3.554 -2.657 455 1HB TYR 65 1HB TYR 65 7.324 5.997 -2.880 456 2HB TYR 65 2HB TYR 65 6.860 5.936 -4.569 457 HD1 TYR 65 HD1 TYR 65 5.470 5.042 -1.196 458 HD2 TYR 65 HD2 TYR 65 4.683 6.522 -5.132 459 HE1 TYR 65 HE1 TYR 65 3.050 5.484 -0.554 460 HE2 TYR 65 HE2 TYR 65 2.266 6.958 -4.477 461 HH TYR 65 HH TYR 65 1.240 6.957 -1.271 462 H TYR 66 H TYR 66 6.640 3.999 -6.200 463 HA TYR 66 HA TYR 66 4.032 2.832 -6.097 464 1HB TYR 66 1HB TYR 66 4.509 4.400 -7.872 465 2HB TYR 66 2HB TYR 66 6.118 3.753 -8.125 466 HD1 TYR 66 HD1 TYR 66 6.371 1.505 -9.285 467 HD2 TYR 66 HD2 TYR 66 2.655 3.621 -9.142 468 HE1 TYR 66 HE1 TYR 66 5.501 0.124 -11.235 469 HE2 TYR 66 HE2 TYR 66 1.798 2.233 -11.092 470 HH TYR 66 HH TYR 66 2.226 0.075 -12.088 471 H HIS 67 H HIS 67 7.029 1.482 -5.580 472 HA HIS 67 HA HIS 67 6.415 -0.926 -7.106 473 1HB HIS 67 1HB HIS 67 8.596 -0.586 -7.576 474 2HB HIS 67 2HB HIS 67 8.877 0.380 -6.141 475 HD1 HIS 67 HD1 HIS 67 9.112 -3.110 -7.457 476 HD2 HIS 67 HD2 HIS 67 9.593 -1.115 -3.799 477 HE1 HIS 67 HE1 HIS 67 10.304 -4.745 -5.902 478 H VAL 68 H VAL 68 6.219 0.500 -3.951 479 HA VAL 68 HA VAL 68 6.107 -2.135 -2.687 480 HB VAL 68 HB VAL 68 5.945 -0.640 -0.603 481 1HG1 VAL 68 1HG1 VAL 68 7.958 -1.952 -1.480 482 2HG1 VAL 68 2HG1 VAL 68 8.543 -0.405 -2.137 483 3HG1 VAL 68 3HG1 VAL 68 8.299 -0.592 -0.384 484 1HG2 VAL 68 3HG2 VAL 68 5.408 1.434 -1.944 485 2HG2 VAL 68 1HG2 VAL 68 6.722 1.615 -0.757 486 3HG2 VAL 68 2HG2 VAL 68 7.103 1.435 -2.487 487 H MET 69 H MET 69 4.093 -0.438 -4.535 488 HA MET 69 HA MET 69 1.839 -0.865 -2.728 489 1HB MET 69 1HB MET 69 2.067 1.044 -5.122 490 2HB MET 69 2HB MET 69 0.674 0.909 -4.067 491 1HG MET 69 1HG MET 69 3.408 1.557 -2.908 492 2HG MET 69 2HG MET 69 2.431 2.824 -3.625 493 1HE MET 69 2HE MET 69 3.476 1.392 -0.586 494 2HE MET 69 3HE MET 69 3.187 3.148 -0.592 495 3HE MET 69 1HE MET 69 2.312 2.106 0.555 496 H HIS 70 H HIS 70 3.472 -1.900 -5.559 497 HA HIS 70 HA HIS 70 1.093 -3.404 -6.335 498 1HB HIS 70 1HB HIS 70 3.006 -2.247 -8.368 499 2HB HIS 70 2HB HIS 70 1.469 -3.037 -8.657 500 HD1 HIS 70 HD1 HIS 70 2.850 0.178 -7.122 501 HD2 HIS 70 HD2 HIS 70 -0.706 -1.344 -8.745 502 HE1 HIS 70 HE1 HIS 70 1.241 2.151 -7.297 503 H ASP 71 H ASP 71 4.631 -3.047 -7.122 504 HA ASP 71 HA ASP 71 5.223 -5.469 -7.919 505 1HB ASP 71 1HB ASP 71 6.680 -3.345 -6.997 506 2HB ASP 71 2HB ASP 71 7.004 -4.491 -5.711 507 H LYS 72 H LYS 72 5.297 -7.591 -7.069 508 HA LYS 72 HA LYS 72 4.433 -7.858 -4.288 509 1HB LYS 72 1HB LYS 72 4.435 -9.965 -6.464 510 2HB LYS 72 2HB LYS 72 3.656 -10.054 -4.897 511 1HG LYS 72 1HG LYS 72 1.797 -9.175 -5.854 512 2HG LYS 72 2HG LYS 72 2.663 -7.660 -6.010 513 1HD LYS 72 1HD LYS 72 3.674 -8.941 -8.187 514 2HD LYS 72 2HD LYS 72 2.135 -9.770 -8.081 515 1HE LYS 72 1HE LYS 72 1.041 -7.428 -7.921 516 2HE LYS 72 2HE LYS 72 2.602 -6.772 -8.372 517 1HZ LYS 72 1HZ LYS 72 2.456 -8.360 -10.351 518 2HZ LYS 72 2HZ LYS 72 0.881 -8.557 -9.986 519 H ASN 73 H ASN 73 7.051 -8.547 -6.593 520 HA ASN 73 HA ASN 73 8.369 -10.378 -4.935 521 1HB ASN 73 1HB ASN 73 8.990 -8.801 -7.413 522 2HB ASN 73 2HB ASN 73 10.384 -9.317 -6.485 523 1HD2 ASN 73 2HD2 ASN 73 8.210 -11.904 -8.750 524 2HD2 ASN 73 1HD2 ASN 73 7.885 -10.208 -8.619 525 H THR 74 H THR 74 7.979 -8.857 -2.921 526 HA THR 74 HA THR 74 10.347 -7.139 -2.633 527 HB THR 74 HB THR 74 8.856 -5.555 -1.347 528 HG1 THR 74 HG1 THR 74 6.802 -7.246 -2.577 529 1HG2 THR 74 3HG2 THR 74 8.929 -5.874 -4.174 530 2HG2 THR 74 1HG2 THR 74 7.206 -5.697 -3.765 531 3HG2 THR 74 2HG2 THR 74 8.369 -4.438 -3.283 532 H LYS 75 H LYS 75 11.100 -6.882 -0.415 533 HA LYS 75 HA LYS 75 11.106 -9.360 0.910 534 1HB LYS 75 1HB LYS 75 13.035 -7.951 1.006 535 2HB LYS 75 2HB LYS 75 12.116 -6.608 1.656 536 1HG LYS 75 1HG LYS 75 11.656 -7.891 3.732 537 2HG LYS 75 2HG LYS 75 12.493 -9.285 3.080 538 1HD LYS 75 1HD LYS 75 14.511 -7.566 2.785 539 2HD LYS 75 2HD LYS 75 13.646 -6.642 3.996 540 1HE LYS 75 1HE LYS 75 14.199 -9.596 4.437 541 2HE LYS 75 2HE LYS 75 15.441 -8.407 4.774 542 1HZ LYS 75 1HZ LYS 75 14.396 -7.926 6.686 543 2HZ LYS 75 2HZ LYS 75 13.015 -7.533 5.918 544 H PHE 76 H PHE 76 8.989 -6.565 1.013 545 HA PHE 76 HA PHE 76 7.687 -7.727 3.383 546 1HB PHE 76 1HB PHE 76 7.929 -4.872 2.250 547 2HB PHE 76 2HB PHE 76 6.868 -5.266 3.588 548 HD1 PHE 76 HD2 PHE 76 8.161 -6.657 5.553 549 HD2 PHE 76 HD1 PHE 76 9.970 -3.929 2.797 550 HE1 PHE 76 HE2 PHE 76 10.079 -6.276 7.177 551 HE2 PHE 76 HE1 PHE 76 11.882 -3.558 4.432 552 HZ PHE 76 HZ PHE 76 11.855 -4.823 6.636 553 H LYS 77 H LYS 77 5.312 -7.533 3.447 554 HA LYS 77 HA LYS 77 4.171 -8.303 1.002 555 1HB LYS 77 1HB LYS 77 3.209 -7.767 3.778 556 2HB LYS 77 2HB LYS 77 2.013 -7.786 2.498 557 1HG LYS 77 1HG LYS 77 3.313 -10.027 1.781 558 2HG LYS 77 2HG LYS 77 3.796 -10.021 3.465 559 1HD LYS 77 1HD LYS 77 1.083 -9.473 3.670 560 2HD LYS 77 2HD LYS 77 1.120 -10.524 2.268 561 1HE LYS 77 1HE LYS 77 1.929 -12.359 3.479 562 2HE LYS 77 2HE LYS 77 2.745 -11.359 4.664 563 1HZ LYS 77 1HZ LYS 77 0.020 -10.803 4.880 564 2HZ LYS 77 2HZ LYS 77 0.139 -12.426 4.813 565 H SER 78 H SER 78 3.336 -7.143 -0.660 566 HA SER 78 HA SER 78 3.262 -4.273 -0.259 567 1HB SER 78 1HB SER 78 3.582 -4.042 -2.586 568 2HB SER 78 2HB SER 78 4.563 -5.436 -2.179 569 HG SER 78 HG SER 78 3.217 -5.762 -4.091 570 H CYS 79 H CYS 79 1.404 -3.034 -1.233 571 HA CYS 79 HA CYS 79 -0.991 -3.754 -0.281 572 1HB CYS 79 1HB CYS 79 -0.583 -2.218 -2.855 573 2HB CYS 79 2HB CYS 79 -2.002 -2.173 -1.827 574 H VAL 80 H VAL 80 -0.113 -4.037 -3.811 575 HA VAL 80 HA VAL 80 -2.266 -5.733 -4.397 576 HB VAL 80 HB VAL 80 0.358 -5.229 -5.814 577 1HG1 VAL 80 3HG1 VAL 80 -0.678 -7.347 -6.546 578 2HG1 VAL 80 1HG1 VAL 80 -2.191 -6.477 -6.898 579 3HG1 VAL 80 2HG1 VAL 80 -0.717 -6.109 -7.825 580 1HG2 VAL 80 3HG2 VAL 80 -1.229 -3.273 -5.366 581 2HG2 VAL 80 1HG2 VAL 80 -0.756 -3.556 -7.059 582 3HG2 VAL 80 2HG2 VAL 80 -2.358 -4.076 -6.484 583 H GLY 81 H GLY 81 1.117 -6.302 -3.354 584 1HA GLY 81 1HA GLY 81 1.420 -8.971 -3.907 585 2HA GLY 81 2HA GLY 81 2.098 -8.146 -2.518 586 H CYS 82 H CYS 82 0.179 -7.582 -0.774 587 HA CYS 82 HA CYS 82 -0.559 -10.070 0.240 588 1HB CYS 82 1HB CYS 82 -0.160 -8.087 1.647 589 2HB CYS 82 2HB CYS 82 -1.585 -7.311 0.987 590 H HIS 83 H HIS 83 -2.342 -7.465 -1.533 591 HA HIS 83 HA HIS 83 -4.871 -8.501 -1.350 592 1HB HIS 83 1HB HIS 83 -3.451 -6.807 -3.387 593 2HB HIS 83 2HB HIS 83 -5.090 -7.344 -3.697 594 HD1 HIS 83 HD1 HIS 83 -5.945 -4.869 -3.541 595 HD2 HIS 83 HD2 HIS 83 -4.229 -6.349 -0.012 596 HE1 HIS 83 HE1 HIS 83 -6.577 -3.224 -1.695 597 H VAL 84 H VAL 84 -2.220 -9.293 -3.667 598 HA VAL 84 HA VAL 84 -3.678 -10.937 -5.345 599 HB VAL 84 HB VAL 84 -0.781 -11.022 -4.486 600 1HG1 VAL 84 3HG1 VAL 84 -2.322 -12.677 -6.422 601 2HG1 VAL 84 1HG1 VAL 84 -0.735 -12.079 -6.963 602 3HG1 VAL 84 2HG1 VAL 84 -0.858 -13.065 -5.486 603 1HG2 VAL 84 2HG2 VAL 84 -2.209 -9.112 -5.970 604 2HG2 VAL 84 3HG2 VAL 84 -0.442 -9.278 -5.837 605 3HG2 VAL 84 1HG2 VAL 84 -1.312 -10.070 -7.173 606 H GLU 85 H GLU 85 -2.069 -11.605 -2.192 607 HA GLU 85 HA GLU 85 -2.657 -14.366 -2.341 608 1HB GLU 85 1HB GLU 85 -1.348 -12.501 -0.448 609 2HB GLU 85 2HB GLU 85 -2.187 -13.821 0.343 610 1HG GLU 85 1HG GLU 85 -0.745 -14.866 -1.952 611 2HG GLU 85 2HG GLU 85 0.351 -13.898 -0.987 612 H VAL 86 H VAL 86 -4.236 -11.449 -1.023 613 HA VAL 86 HA VAL 86 -6.118 -12.857 0.560 614 HB VAL 86 HB VAL 86 -6.061 -10.055 -0.573 615 1HG1 VAL 86 3HG1 VAL 86 -7.924 -11.307 1.469 616 2HG1 VAL 86 1HG1 VAL 86 -7.757 -9.555 1.206 617 3HG1 VAL 86 2HG1 VAL 86 -8.358 -10.598 -0.105 618 1HG2 VAL 86 2HG2 VAL 86 -4.566 -11.287 1.495 619 2HG2 VAL 86 3HG2 VAL 86 -4.642 -9.559 1.074 620 3HG2 VAL 86 1HG2 VAL 86 -5.760 -10.231 2.285 621 H ALA 87 H ALA 87 -6.249 -11.281 -2.708 622 HA ALA 87 HA ALA 87 -8.894 -12.080 -3.216 623 1HB ALA 87 1HB ALA 87 -6.566 -11.015 -4.791 624 2HB ALA 87 2HB ALA 87 -7.960 -11.682 -5.674 625 3HB ALA 87 3HB ALA 87 -8.187 -10.322 -4.548 626 H GLY 88 H GLY 88 -5.872 -13.799 -3.134 627 1HA GLY 88 1HA GLY 88 -5.230 -15.831 -3.900 628 2HA GLY 88 2HA GLY 88 -6.816 -16.308 -3.327 629 H ALA 89 H ALA 89 -8.125 -17.301 -4.795 630 HA ALA 89 HA ALA 89 -7.543 -16.787 -7.629 631 1HB ALA 89 2HB ALA 89 -7.513 -19.164 -6.235 632 2HB ALA 89 3HB ALA 89 -9.163 -19.151 -6.903 633 3HB ALA 89 1HB ALA 89 -7.762 -19.015 -7.992 634 H ASP 90 H ASP 90 -8.861 -14.783 -7.436 635 HA ASP 90 HA ASP 90 -11.579 -15.440 -8.022 636 1HB ASP 90 1HB ASP 90 -11.356 -15.033 -5.462 637 2HB ASP 90 2HB ASP 90 -11.017 -13.362 -5.867 638 H ALA 91 H ALA 91 -11.272 -14.484 -10.099 639 HA ALA 91 HA ALA 91 -9.746 -12.335 -10.745 640 1HB ALA 91 3HB ALA 91 -12.112 -13.730 -11.855 641 2HB ALA 91 1HB ALA 91 -11.884 -12.066 -12.444 642 3HB ALA 91 2HB ALA 91 -10.584 -13.266 -12.640 643 H ALA 92 H ALA 92 -13.184 -12.333 -9.603 644 HA ALA 92 HA ALA 92 -13.791 -9.713 -9.847 645 1HB ALA 92 1HB ALA 92 -14.688 -11.987 -8.340 646 2HB ALA 92 2HB ALA 92 -14.691 -10.567 -7.267 647 3HB ALA 92 3HB ALA 92 -15.600 -10.528 -8.797 648 H LYS 93 H LYS 93 -12.327 -11.160 -6.842 649 HA LYS 93 HA LYS 93 -11.721 -8.638 -5.757 650 1HB LYS 93 1HB LYS 93 -10.888 -11.468 -5.122 651 2HB LYS 93 2HB LYS 93 -10.219 -10.106 -4.247 652 1HG LYS 93 1HG LYS 93 -12.734 -9.363 -3.949 653 2HG LYS 93 2HG LYS 93 -13.111 -11.019 -4.382 654 1HD LYS 93 1HD LYS 93 -11.390 -11.701 -2.539 655 2HD LYS 93 2HD LYS 93 -11.489 -10.036 -2.002 656 1HE LYS 93 1HE LYS 93 -13.545 -10.346 -1.056 657 2HE LYS 93 2HE LYS 93 -14.161 -11.193 -2.461 658 1HZ LYS 93 1HZ LYS 93 -12.231 -12.638 -0.806 659 2HZ LYS 93 2HZ LYS 93 -13.720 -12.436 -0.177 660 H LYS 94 H LYS 94 -10.005 -10.890 -7.925 661 HA LYS 94 HA LYS 94 -7.477 -9.673 -7.645 662 1HB LYS 94 1HB LYS 94 -8.312 -11.994 -8.679 663 2HB LYS 94 2HB LYS 94 -8.251 -11.073 -10.167 664 1HG LYS 94 1HG LYS 94 -5.869 -10.315 -9.341 665 2HG LYS 94 2HG LYS 94 -5.987 -11.667 -8.232 666 1HD LYS 94 1HD LYS 94 -6.442 -13.192 -10.197 667 2HD LYS 94 2HD LYS 94 -6.216 -11.828 -11.275 668 1HE LYS 94 1HE LYS 94 -4.102 -12.827 -9.306 669 2HE LYS 94 2HE LYS 94 -4.149 -13.262 -11.003 670 1HZ LYS 94 1HZ LYS 94 -2.810 -11.152 -10.127 671 2HZ LYS 94 2HZ LYS 94 -3.461 -11.181 -11.619 672 H LYS 95 H LYS 95 -10.401 -8.488 -8.873 673 HA LYS 95 HA LYS 95 -8.931 -6.604 -10.584 674 1HB LYS 95 1HB LYS 95 -10.792 -8.358 -11.490 675 2HB LYS 95 2HB LYS 95 -11.831 -7.013 -11.066 676 1HG LYS 95 1HG LYS 95 -10.762 -5.530 -12.578 677 2HG LYS 95 2HG LYS 95 -9.295 -6.487 -12.638 678 1HD LYS 95 1HD LYS 95 -11.927 -7.610 -13.667 679 2HD LYS 95 2HD LYS 95 -10.934 -6.582 -14.681 680 1HE LYS 95 1HE LYS 95 -8.971 -8.205 -14.071 681 2HE LYS 95 2HE LYS 95 -10.220 -9.293 -13.498 682 1HZ LYS 95 1HZ LYS 95 -9.704 -9.717 -15.831 683 2HZ LYS 95 2HZ LYS 95 -11.240 -9.185 -15.722 684 H ASP 96 H ASP 96 -10.560 -7.109 -7.661 685 HA ASP 96 HA ASP 96 -11.464 -4.343 -7.629 686 1HB ASP 96 1HB ASP 96 -12.551 -6.830 -6.596 687 2HB ASP 96 2HB ASP 96 -12.250 -5.748 -5.250 688 H LEU 97 H LEU 97 -9.176 -6.713 -6.417 689 HA LEU 97 HA LEU 97 -8.348 -4.874 -4.284 690 1HB LEU 97 1HB LEU 97 -8.090 -7.852 -4.628 691 2HB LEU 97 2HB LEU 97 -7.072 -6.964 -3.511 692 HG LEU 97 HG LEU 97 -10.074 -7.298 -3.423 693 1HD1 LEU 97 2HD1 LEU 97 -8.361 -9.026 -2.495 694 2HD1 LEU 97 3HD1 LEU 97 -8.157 -7.847 -1.177 695 3HD1 LEU 97 1HD1 LEU 97 -9.761 -8.547 -1.505 696 1HD2 LEU 97 1HD2 LEU 97 -8.362 -5.203 -2.160 697 2HD2 LEU 97 2HD2 LEU 97 -10.037 -5.116 -2.757 698 3HD2 LEU 97 3HD2 LEU 97 -9.687 -5.907 -1.201 699 H THR 98 H THR 98 -7.180 -6.975 -6.988 700 HA THR 98 HA THR 98 -4.720 -5.357 -7.004 701 HB THR 98 HB THR 98 -3.653 -7.328 -7.953 702 HG1 THR 98 HG1 THR 98 -5.523 -7.862 -9.328 703 1HG2 THR 98 1HG2 THR 98 -5.696 -8.294 -5.883 704 2HG2 THR 98 2HG2 THR 98 -4.202 -9.145 -6.344 705 3HG2 THR 98 3HG2 THR 98 -4.112 -7.583 -5.493 706 H GLY 99 H GLY 99 -7.564 -4.888 -8.198 707 1HA GLY 99 1HA GLY 99 -7.326 -5.094 -11.001 708 2HA GLY 99 2HA GLY 99 -8.428 -4.067 -10.105 709 H CYS 100 H CYS 100 -6.787 -3.519 -12.583 710 HA CYS 100 HA CYS 100 -4.816 -1.635 -11.663 711 1HB CYS 100 1HB CYS 100 -5.671 -2.710 -14.321 712 2HB CYS 100 2HB CYS 100 -4.812 -1.183 -14.264 713 H LYS 101 H LYS 101 -7.747 -1.531 -13.834 714 HA LYS 101 HA LYS 101 -8.239 1.171 -12.789 715 1HB LYS 101 1HB LYS 101 -7.423 1.196 -15.122 716 2HB LYS 101 2HB LYS 101 -8.743 0.148 -15.599 717 1HG LYS 101 1HG LYS 101 -10.227 2.041 -14.396 718 2HG LYS 101 2HG LYS 101 -8.829 3.039 -14.739 719 1HD LYS 101 1HD LYS 101 -9.806 1.319 -16.994 720 2HD LYS 101 2HD LYS 101 -10.856 2.640 -16.521 721 1HE LYS 101 1HE LYS 101 -9.139 4.292 -16.934 722 2HE LYS 101 2HE LYS 101 -7.885 3.073 -17.034 723 1HZ LYS 101 1HZ LYS 101 -9.805 3.863 -19.059 724 2HZ LYS 101 2HZ LYS 101 -8.302 3.265 -19.248 725 H LYS 102 H LYS 102 -10.331 1.658 -12.128 726 HA LYS 102 HA LYS 102 -12.439 1.324 -11.547 727 1HB LYS 102 1HB LYS 102 -12.205 -0.281 -13.970 728 2HB LYS 102 2HB LYS 102 -13.378 -0.958 -12.858 729 1HG LYS 102 1HG LYS 102 -14.504 1.263 -12.677 730 2HG LYS 102 2HG LYS 102 -13.319 1.961 -13.763 731 1HD LYS 102 1HD LYS 102 -14.066 0.030 -15.413 732 2HD LYS 102 2HD LYS 102 -15.482 -0.072 -14.387 733 1HE LYS 102 1HE LYS 102 -15.988 2.318 -14.776 734 2HE LYS 102 2HE LYS 102 -14.511 2.512 -15.699 735 1HZ LYS 102 1HZ LYS 102 -15.588 0.539 -17.073 736 2HZ LYS 102 2HZ LYS 102 -16.978 1.149 -16.484 737 H SER 103 H SER 103 -10.518 0.529 -9.808 738 HA SER 103 HA SER 103 -11.632 -1.976 -8.815 739 1HB SER 103 1HB SER 103 -9.097 -1.796 -7.664 740 2HB SER 103 2HB SER 103 -9.550 -2.844 -8.993 741 HG SER 103 HG SER 103 -8.570 -0.132 -9.289 742 H LYS 104 H LYS 104 -10.458 -2.006 -6.267 743 HA LYS 104 HA LYS 104 -11.980 0.036 -4.982 744 1HB LYS 104 1HB LYS 104 -10.199 -2.186 -3.951 745 2HB LYS 104 2HB LYS 104 -11.062 -1.079 -2.904 746 1HG LYS 104 1HG LYS 104 -12.674 -2.391 -5.071 747 2HG LYS 104 2HG LYS 104 -12.122 -3.432 -3.775 748 1HD LYS 104 1HD LYS 104 -13.067 -1.110 -2.460 749 2HD LYS 104 2HD LYS 104 -14.229 -1.389 -3.742 750 1HE LYS 104 1HE LYS 104 -13.341 -3.764 -2.104 751 2HE LYS 104 2HE LYS 104 -14.440 -2.620 -1.360 752 1HZ LYS 104 1HZ LYS 104 -14.922 -4.376 -3.649 753 2HZ LYS 104 2HZ LYS 104 -15.930 -3.978 -2.433 754 H CYS 105 H CYS 105 -8.625 -0.444 -5.976 755 HA CYS 105 HA CYS 105 -7.690 1.651 -4.237 756 1HB CYS 105 1HB CYS 105 -6.276 0.036 -6.384 757 2HB CYS 105 2HB CYS 105 -5.499 1.238 -5.373 758 H HIS 106 H HIS 106 -7.662 1.028 -7.832 759 HA HIS 106 HA HIS 106 -7.674 3.912 -8.222 760 1HB HIS 106 1HB HIS 106 -7.109 1.608 -10.106 761 2HB HIS 106 2HB HIS 106 -7.151 3.289 -10.599 762 HD1 HIS 106 HD1 HIS 106 -5.443 4.850 -8.870 763 HD2 HIS 106 HD2 HIS 106 -4.561 0.812 -9.589 764 HE1 HIS 106 HE1 HIS 106 -2.968 4.551 -8.327 765 H GLU 107 H GLU 107 -9.438 5.012 -8.982 766 HA GLU 107 HA GLU 107 -11.662 3.334 -9.851 767 1HB GLU 107 1HB GLU 107 -11.694 5.882 -8.183 768 2HB GLU 107 2HB GLU 107 -13.135 5.212 -8.921 769 1HG GLU 107 1HG GLU 107 -11.847 3.031 -7.601 770 2HG GLU 107 2HG GLU 107 -11.775 4.378 -6.483 771 HHA HEC 108 HHA HEC 108 -0.886 6.659 7.343 772 HHB HEC 108 HHB HEC 108 -1.665 4.129 13.181 773 HHC HEC 108 HHC HEC 108 -2.516 -1.659 10.564 774 HHD HEC 108 HHD HEC 108 -1.091 0.796 4.759 775 1HMA HEC 108 1HMA HEC 108 -0.701 7.744 12.495 776 2HMA HEC 108 2HMA HEC 108 -2.165 6.864 12.997 777 3HMA HEC 108 3HMA HEC 108 -0.556 6.177 13.327 778 1HAA HEC 108 1HAA HEC 108 -1.082 8.224 8.721 779 2HAA HEC 108 2HAA HEC 108 -1.145 8.667 10.444 780 1HBA HEC 108 1HBA HEC 108 1.380 7.467 9.996 781 2HBA HEC 108 2HBA HEC 108 1.095 8.616 8.667 782 1HMB HEC 108 1HMB HEC 108 -3.241 1.229 14.972 783 2HMB HEC 108 2HMB HEC 108 -1.561 1.818 15.005 784 3HMB HEC 108 3HMB HEC 108 -2.882 2.919 14.544 785 HAB HEC 108 HAB HEC 108 -3.153 -1.762 12.443 786 1HBB HEC 108 1HBB HEC 108 -4.827 -1.728 13.917 787 2HBB HEC 108 2HBB HEC 108 -3.889 -0.798 15.110 788 3HBB HEC 108 3HBB HEC 108 -4.725 0.044 13.783 789 1HMC HEC 108 1HMC HEC 108 -3.591 -3.224 7.787 790 2HMC HEC 108 2HMC HEC 108 -1.886 -3.701 7.604 791 3HMC HEC 108 3HMC HEC 108 -2.497 -3.176 9.191 792 HAC HEC 108 HAC HEC 108 -1.990 -1.095 4.453 793 1HBC HEC 108 1HBC HEC 108 -3.711 -2.705 5.661 794 2HBC HEC 108 2HBC HEC 108 -3.045 -3.073 4.052 795 3HBC HEC 108 3HBC HEC 108 -2.369 -3.863 5.497 796 1HMD HEC 108 1HMD HEC 108 0.117 2.153 3.426 797 2HMD HEC 108 2HMD HEC 108 -1.386 2.969 2.934 798 3HMD HEC 108 3HMD HEC 108 0.150 3.869 2.956 799 1HAD HEC 108 1HAD HEC 108 -0.580 6.847 5.364 800 2HAD HEC 108 2HAD HEC 108 0.827 6.062 4.609 801 1HBD HEC 108 1HBD HEC 108 -1.376 5.259 3.074 802 2HBD HEC 108 2HBD HEC 108 -1.631 6.987 3.416 803 HHA HEC 109 HHA HEC 109 11.697 -2.239 1.618 804 HHB HEC 109 HHB HEC 109 5.325 -1.599 1.312 805 HHC HEC 109 HHC HEC 109 5.620 3.329 5.400 806 HHD HEC 109 HHD HEC 109 12.079 3.290 4.842 807 1HMA HEC 109 1HMA HEC 109 5.854 -3.069 0.046 808 2HMA HEC 109 2HMA HEC 109 7.190 -3.837 -0.845 809 3HMA HEC 109 3HMA HEC 109 6.663 -4.504 0.719 810 1HAA HEC 109 1HAA HEC 109 10.968 -3.879 0.710 811 2HAA HEC 109 2HAA HEC 109 9.515 -4.825 0.307 812 1HBA HEC 109 1HBA HEC 109 9.283 -3.508 -1.778 813 2HBA HEC 109 2HBA HEC 109 10.802 -2.669 -1.383 814 1HMB HEC 109 1HMB HEC 109 3.203 -1.445 2.890 815 2HMB HEC 109 2HMB HEC 109 2.302 0.090 2.921 816 3HMB HEC 109 3HMB HEC 109 3.189 -0.392 1.455 817 HAB HEC 109 HAB HEC 109 3.727 2.761 5.300 818 1HBB HEC 109 1HBB HEC 109 2.603 0.134 5.070 819 2HBB HEC 109 2HBB HEC 109 2.297 1.394 6.289 820 3HBB HEC 109 3HBB HEC 109 1.333 1.350 4.793 821 1HMC HEC 109 1HMC HEC 109 7.761 5.204 7.611 822 2HMC HEC 109 2HMC HEC 109 7.533 6.128 6.107 823 3HMC HEC 109 3HMC HEC 109 6.390 4.834 6.538 824 HAC HEC 109 HAC HEC 109 11.624 4.811 5.986 825 1HBC HEC 109 1HBC HEC 109 9.740 5.884 8.068 826 2HBC HEC 109 2HBC HEC 109 10.455 4.261 8.221 827 3HBC HEC 109 3HBC HEC 109 11.508 5.693 8.128 828 1HMD HEC 109 1HMD HEC 109 14.360 1.586 5.061 829 2HMD HEC 109 2HMD HEC 109 15.047 1.430 3.426 830 3HMD HEC 109 3HMD HEC 109 14.059 2.850 3.845 831 1HAD HEC 109 1HAD HEC 109 13.655 -1.951 2.159 832 2HAD HEC 109 2HAD HEC 109 14.351 -0.517 1.365 833 1HBD HEC 109 1HBD HEC 109 14.991 -0.470 4.168 834 2HBD HEC 109 2HBD HEC 109 15.436 -2.044 3.466 835 HHA HEC 110 HHA HEC 110 -10.196 -4.760 0.863 836 HHB HEC 110 HHB HEC 110 -6.372 0.104 -0.820 837 HHC HEC 110 HHC HEC 110 -1.456 -2.773 2.110 838 HHD HEC 110 HHD HEC 110 -5.162 -7.884 3.307 839 1HMA HEC 110 1HMA HEC 110 -10.029 0.282 -0.924 840 2HMA HEC 110 2HMA HEC 110 -8.306 0.691 -1.106 841 3HMA HEC 110 3HMA HEC 110 -9.130 -0.271 -2.357 842 1HAA HEC 110 1HAA HEC 110 -11.329 -1.640 -1.010 843 2HAA HEC 110 2HAA HEC 110 -11.154 -3.411 -1.024 844 1HBA HEC 110 1HBA HEC 110 -12.705 -3.164 0.628 845 2HBA HEC 110 2HBA HEC 110 -11.215 -3.094 1.601 846 1HMB HEC 110 1HMB HEC 110 -3.816 0.776 -1.901 847 2HMB HEC 110 2HMB HEC 110 -4.670 1.554 -0.546 848 3HMB HEC 110 3HMB HEC 110 -2.891 1.538 -0.585 849 HAB HEC 110 HAB HEC 110 -0.749 -1.119 1.243 850 1HBB HEC 110 1HBB HEC 110 -0.256 1.026 1.636 851 2HBB HEC 110 2HBB HEC 110 -0.962 1.578 0.098 852 3HBB HEC 110 3HBB HEC 110 -2.012 1.288 1.505 853 1HMC HEC 110 1HMC HEC 110 -0.276 -5.478 3.856 854 2HMC HEC 110 2HMC HEC 110 -0.053 -6.137 2.218 855 3HMC HEC 110 3HMC HEC 110 -0.200 -4.380 2.458 856 HAC HEC 110 HAC HEC 110 -3.228 -8.109 4.306 857 1HBC HEC 110 1HBC HEC 110 -0.310 -7.551 3.739 858 2HBC HEC 110 2HBC HEC 110 -1.201 -6.927 5.147 859 3HBC HEC 110 3HBC HEC 110 -0.992 -8.681 4.933 860 1HMD HEC 110 1HMD HEC 110 -6.767 -9.050 3.541 861 2HMD HEC 110 2HMD HEC 110 -8.094 -8.456 4.567 862 3HMD HEC 110 3HMD HEC 110 -8.457 -9.339 3.064 863 1HAD HEC 110 1HAD HEC 110 -10.392 -8.001 2.896 864 2HAD HEC 110 2HAD HEC 110 -10.865 -6.287 2.803 865 1HBD HEC 110 1HBD HEC 110 -11.598 -6.509 0.714 866 2HBD HEC 110 2HBD HEC 110 -10.135 -7.382 0.199 867 HHA HEC 111 HHA HEC 111 0.400 5.490 -7.655 868 HHB HEC 111 HHB HEC 111 -0.708 2.001 -12.918 869 HHC HEC 111 HHC HEC 111 -3.392 -2.589 -9.344 870 HHD HEC 111 HHD HEC 111 -3.045 1.344 -4.192 871 1HMA HEC 111 1HMA HEC 111 1.595 3.777 -13.040 872 2HMA HEC 111 2HMA HEC 111 -0.100 4.080 -13.491 873 3HMA HEC 111 3HMA HEC 111 0.917 5.417 -12.901 874 1HAA HEC 111 1HAA HEC 111 0.625 6.883 -10.720 875 2HAA HEC 111 2HAA HEC 111 1.277 6.404 -9.135 876 1HBA HEC 111 1HBA HEC 111 3.325 5.978 -9.963 877 2HBA HEC 111 2HBA HEC 111 2.694 5.297 -11.481 878 1HMB HEC 111 1HMB HEC 111 -0.841 0.393 -14.053 879 2HMB HEC 111 2HMB HEC 111 -0.353 -1.300 -13.800 880 3HMB HEC 111 3HMB HEC 111 -2.009 -0.921 -14.332 881 HAB HEC 111 HAB HEC 111 -3.498 -3.148 -11.405 882 1HBB HEC 111 1HBB HEC 111 -1.013 -4.115 -12.627 883 2HBB HEC 111 2HBB HEC 111 -0.821 -3.508 -10.965 884 3HBB HEC 111 3HBB HEC 111 -1.997 -4.798 -11.311 885 1HMC HEC 111 1HMC HEC 111 -4.580 -3.337 -7.847 886 2HMC HEC 111 2HMC HEC 111 -4.267 -3.641 -6.122 887 3HMC HEC 111 3HMC HEC 111 -5.745 -2.783 -6.621 888 HAC HEC 111 HAC HEC 111 -3.835 -0.408 -3.571 889 1HBC HEC 111 1HBC HEC 111 -3.315 -2.939 -4.231 890 2HBC HEC 111 2HBC HEC 111 -4.067 -2.480 -2.684 891 3HBC HEC 111 3HBC HEC 111 -5.078 -3.070 -4.025 892 1HMD HEC 111 1HMD HEC 111 -2.594 3.148 -2.979 893 2HMD HEC 111 2HMD HEC 111 -0.893 2.686 -2.733 894 3HMD HEC 111 3HMD HEC 111 -1.349 4.406 -2.791 895 1HAD HEC 111 1HAD HEC 111 0.624 5.270 -3.988 896 2HAD HEC 111 2HAD HEC 111 0.870 5.792 -5.672 897 1HBD HEC 111 1HBD HEC 111 -1.287 6.989 -5.588 898 2HBD HEC 111 2HBD HEC 111 -1.463 6.513 -3.882 No H/Q in entry = 898 Start of MODEL 5 1 1H ALA 1 1H ALA 1 -0.243 3.308 23.762 2 2H ALA 1 2H ALA 1 -1.772 3.302 23.126 3 HA ALA 1 HA ALA 1 0.603 3.906 21.907 4 1HB ALA 1 3HB ALA 1 -0.439 1.197 21.360 5 2HB ALA 1 1HB ALA 1 -0.186 2.184 19.901 6 3HB ALA 1 2HB ALA 1 1.163 1.895 21.025 7 HA PRO 2 HA PRO 2 -2.288 6.214 19.663 8 1HB PRO 2 1HB PRO 2 -1.149 6.576 17.205 9 2HB PRO 2 2HB PRO 2 -0.670 7.483 18.626 10 1HG PRO 2 1HG PRO 2 0.744 5.263 17.280 11 2HG PRO 2 2HG PRO 2 1.377 6.443 18.410 12 1HD PRO 2 1HD PRO 2 0.720 3.707 18.972 13 2HD PRO 2 2HD PRO 2 1.243 4.918 20.126 14 H LYS 3 H LYS 3 -4.268 6.005 18.785 15 HA LYS 3 HA LYS 3 -4.811 3.441 17.658 16 1HB LYS 3 1HB LYS 3 -6.278 5.598 18.859 17 2HB LYS 3 2HB LYS 3 -7.005 5.222 17.310 18 1HG LYS 3 1HG LYS 3 -6.234 2.947 19.152 19 2HG LYS 3 2HG LYS 3 -7.688 3.860 19.499 20 1HD LYS 3 1HD LYS 3 -8.394 3.445 17.056 21 2HD LYS 3 2HD LYS 3 -7.050 2.326 16.941 22 1HE LYS 3 1HE LYS 3 -8.182 0.702 18.066 23 2HE LYS 3 2HE LYS 3 -8.619 1.800 19.360 24 1HZ LYS 3 1HZ LYS 3 -10.610 2.277 18.366 25 2HZ LYS 3 2HZ LYS 3 -10.047 2.164 16.842 26 H ALA 4 H ALA 4 -6.103 3.291 15.531 27 HA ALA 4 HA ALA 4 -4.446 4.252 13.475 28 1HB ALA 4 1HB ALA 4 -5.702 2.144 13.352 29 2HB ALA 4 2HB ALA 4 -7.240 3.039 13.416 30 3HB ALA 4 3HB ALA 4 -6.163 3.219 12.010 31 HA PRO 5 HA PRO 5 -6.272 8.071 12.593 32 1HB PRO 5 1HB PRO 5 -5.706 8.372 9.936 33 2HB PRO 5 2HB PRO 5 -4.535 8.673 11.206 34 1HG PRO 5 1HG PRO 5 -4.714 6.372 9.358 35 2HG PRO 5 2HG PRO 5 -3.351 6.902 10.322 36 1HD PRO 5 1HD PRO 5 -5.086 4.686 10.876 37 2HD PRO 5 2HD PRO 5 -3.795 5.287 11.898 38 H ALA 6 H ALA 6 -7.902 9.330 11.347 39 HA ALA 6 HA ALA 6 -10.268 7.912 11.306 40 1HB ALA 6 2HB ALA 6 -9.715 10.476 11.323 41 2HB ALA 6 3HB ALA 6 -9.797 10.324 9.551 42 3HB ALA 6 1HB ALA 6 -11.214 9.913 10.546 43 H ASP 7 H ASP 7 -11.673 8.141 9.028 44 HA ASP 7 HA ASP 7 -10.237 6.319 7.307 45 1HB ASP 7 1HB ASP 7 -12.644 6.238 6.220 46 2HB ASP 7 2HB ASP 7 -12.349 5.417 7.740 47 H GLY 8 H GLY 8 -10.874 6.636 4.813 48 1HA GLY 8 1HA GLY 8 -11.117 7.964 2.979 49 2HA GLY 8 2HA GLY 8 -11.423 9.351 4.005 50 H LEU 9 H LEU 9 -8.599 7.367 4.732 51 HA LEU 9 HA LEU 9 -6.892 9.600 4.244 52 1HB LEU 9 1HB LEU 9 -6.378 8.351 6.135 53 2HB LEU 9 2HB LEU 9 -6.558 6.817 5.306 54 HG LEU 9 HG LEU 9 -4.185 7.877 5.950 55 1HD1 LEU 9 3HD1 LEU 9 -4.880 5.635 4.832 56 2HD1 LEU 9 1HD1 LEU 9 -4.371 6.430 3.323 57 3HD1 LEU 9 2HD1 LEU 9 -3.210 6.225 4.656 58 1HD2 LEU 9 3HD2 LEU 9 -4.876 9.780 4.221 59 2HD2 LEU 9 1HD2 LEU 9 -3.192 9.236 4.419 60 3HD2 LEU 9 2HD2 LEU 9 -4.171 8.624 3.065 61 H LYS 10 H LYS 10 -6.588 10.173 2.133 62 HA LYS 10 HA LYS 10 -5.859 7.990 0.308 63 1HB LYS 10 1HB LYS 10 -7.149 8.893 -1.287 64 2HB LYS 10 2HB LYS 10 -7.943 9.727 0.033 65 1HG LYS 10 1HG LYS 10 -5.979 11.507 -0.314 66 2HG LYS 10 2HG LYS 10 -5.877 10.783 -1.907 67 1HD LYS 10 1HD LYS 10 -8.609 11.551 -0.883 68 2HD LYS 10 2HD LYS 10 -7.535 12.839 -1.393 69 1HE LYS 10 1HE LYS 10 -8.537 12.372 -3.436 70 2HE LYS 10 2HE LYS 10 -7.187 11.259 -3.534 71 1HZ LYS 10 1HZ LYS 10 -9.858 10.487 -2.489 72 2HZ LYS 10 2HZ LYS 10 -9.372 10.210 -4.018 73 H MET 11 H MET 11 -4.043 8.298 -1.094 74 HA MET 11 HA MET 11 -2.318 10.474 -0.189 75 1HB MET 11 1HB MET 11 -0.413 8.839 -0.731 76 2HB MET 11 2HB MET 11 -1.408 8.362 0.630 77 1HG MET 11 1HG MET 11 -2.547 7.337 -1.866 78 2HG MET 11 2HG MET 11 -0.872 6.845 -1.716 79 1HE MET 11 3HE MET 11 0.119 5.546 -0.252 80 2HE MET 11 1HE MET 11 -0.569 4.542 1.046 81 3HE MET 11 2HE MET 11 -0.868 4.122 -0.658 82 H GLU 12 H GLU 12 -2.010 11.955 -1.791 83 HA GLU 12 HA GLU 12 -2.111 10.932 -4.519 84 1HB GLU 12 1HB GLU 12 -3.846 12.654 -3.784 85 2HB GLU 12 2HB GLU 12 -2.539 13.808 -3.609 86 1HG GLU 12 1HG GLU 12 -2.813 12.290 -6.214 87 2HG GLU 12 2HG GLU 12 -3.892 13.634 -5.897 88 H ALA 13 H ALA 13 0.229 10.267 -3.965 89 HA ALA 13 HA ALA 13 2.043 12.557 -4.037 90 1HB ALA 13 3HB ALA 13 2.063 10.299 -2.506 91 2HB ALA 13 1HB ALA 13 3.092 9.781 -3.863 92 3HB ALA 13 2HB ALA 13 3.523 11.229 -2.922 93 H THR 14 H THR 14 0.438 10.335 -6.089 94 HA THR 14 HA THR 14 2.385 10.923 -8.211 95 HB THR 14 HB THR 14 2.352 8.641 -8.929 96 HG1 THR 14 HG1 THR 14 0.099 8.525 -7.049 97 1HG2 THR 14 2HG2 THR 14 2.088 8.555 -5.876 98 2HG2 THR 14 3HG2 THR 14 2.706 7.225 -6.885 99 3HG2 THR 14 1HG2 THR 14 3.609 8.756 -6.779 100 H LYS 15 H LYS 15 1.266 10.265 -10.441 101 HA LYS 15 HA LYS 15 -0.889 12.054 -10.676 102 1HB LYS 15 1HB LYS 15 0.848 11.499 -12.420 103 2HB LYS 15 2HB LYS 15 0.024 9.975 -12.680 104 1HG LYS 15 1HG LYS 15 -1.910 11.008 -13.562 105 2HG LYS 15 2HG LYS 15 -1.589 12.533 -12.761 106 1HD LYS 15 1HD LYS 15 0.090 13.156 -14.327 107 2HD LYS 15 2HD LYS 15 0.342 11.507 -14.863 108 1HE LYS 15 1HE LYS 15 -2.207 11.674 -15.629 109 2HE LYS 15 2HE LYS 15 -1.915 13.400 -15.561 110 1HZ LYS 15 1HZ LYS 15 0.129 12.878 -16.993 111 2HZ LYS 15 2HZ LYS 15 -0.535 11.417 -17.266 112 H GLN 16 H GLN 16 -0.728 8.874 -9.468 113 HA GLN 16 HA GLN 16 -3.579 8.575 -10.009 114 1HB GLN 16 1HB GLN 16 -1.634 6.267 -9.609 115 2HB GLN 16 2HB GLN 16 -3.308 6.166 -10.117 116 1HG GLN 16 1HG GLN 16 -1.767 7.957 -11.868 117 2HG GLN 16 2HG GLN 16 -1.045 6.363 -11.796 118 1HE2 GLN 16 2HE2 GLN 16 -5.064 6.441 -12.805 119 2HE2 GLN 16 1HE2 GLN 16 -4.443 7.308 -11.440 120 HA PRO 17 HA PRO 17 -3.252 8.831 -5.575 121 1HB PRO 17 1HB PRO 17 -5.709 9.948 -5.148 122 2HB PRO 17 2HB PRO 17 -4.260 10.895 -5.419 123 1HG PRO 17 1HG PRO 17 -6.500 10.362 -7.273 124 2HG PRO 17 2HG PRO 17 -5.280 11.618 -7.358 125 1HD PRO 17 1HD PRO 17 -5.376 9.211 -8.915 126 2HD PRO 17 2HD PRO 17 -4.098 10.410 -8.916 127 H VAL 18 H VAL 18 -4.423 7.910 -3.700 128 HA VAL 18 HA VAL 18 -6.373 5.924 -4.528 129 HB VAL 18 HB VAL 18 -3.738 5.259 -3.202 130 1HG1 VAL 18 1HG1 VAL 18 -5.639 4.058 -2.152 131 2HG1 VAL 18 2HG1 VAL 18 -6.090 3.418 -3.750 132 3HG1 VAL 18 3HG1 VAL 18 -4.530 2.969 -3.020 133 1HG2 VAL 18 1HG2 VAL 18 -4.890 4.824 -5.932 134 2HG2 VAL 18 2HG2 VAL 18 -3.225 5.220 -5.441 135 3HG2 VAL 18 3HG2 VAL 18 -3.842 3.562 -5.240 136 H VAL 19 H VAL 19 -7.613 5.085 -2.698 137 HA VAL 19 HA VAL 19 -7.341 6.821 -0.341 138 HB VAL 19 HB VAL 19 -9.778 5.782 -1.785 139 1HG1 VAL 19 1HG1 VAL 19 -9.986 5.481 0.698 140 2HG1 VAL 19 2HG1 VAL 19 -9.761 7.238 0.877 141 3HG1 VAL 19 3HG1 VAL 19 -11.171 6.606 -0.007 142 1HG2 VAL 19 2HG2 VAL 19 -8.512 7.977 -2.413 143 2HG2 VAL 19 3HG2 VAL 19 -10.286 7.999 -2.264 144 3HG2 VAL 19 1HG2 VAL 19 -9.274 8.628 -0.942 145 H PHE 20 H PHE 20 -6.597 5.701 1.378 146 HA PHE 20 HA PHE 20 -7.106 2.821 1.436 147 1HB PHE 20 1HB PHE 20 -4.777 3.958 1.638 148 2HB PHE 20 2HB PHE 20 -5.333 4.685 3.132 149 HD1 PHE 20 HD1 PHE 20 -4.936 1.321 1.523 150 HD2 PHE 20 HD2 PHE 20 -4.935 3.587 5.152 151 HE1 PHE 20 HE1 PHE 20 -4.173 -0.732 2.814 152 HE2 PHE 20 HE2 PHE 20 -4.173 1.526 6.431 153 HZ PHE 20 HZ PHE 20 -3.832 -0.529 5.325 154 H ASN 21 H ASN 21 -7.529 1.848 3.650 155 HA ASN 21 HA ASN 21 -8.918 3.684 5.396 156 1HB ASN 21 1HB ASN 21 -10.144 1.172 4.149 157 2HB ASN 21 2HB ASN 21 -10.821 1.945 5.569 158 1HD2 ASN 21 2HD2 ASN 21 -11.084 3.654 1.818 159 2HD2 ASN 21 1HD2 ASN 21 -9.971 2.378 2.182 160 H HIS 22 H HIS 22 -8.689 3.031 7.597 161 HA HIS 22 HA HIS 22 -7.004 0.702 7.990 162 1HB HIS 22 1HB HIS 22 -7.658 3.162 9.578 163 2HB HIS 22 2HB HIS 22 -7.074 1.740 10.418 164 HD1 HIS 22 HD1 HIS 22 -5.989 4.430 8.024 165 HD2 HIS 22 HD2 HIS 22 -4.360 1.067 9.930 166 HE1 HIS 22 HE1 HIS 22 -3.462 4.580 7.702 167 H SER 23 H SER 23 -10.320 1.689 8.167 168 HA SER 23 HA SER 23 -11.006 -0.099 10.266 169 1HB SER 23 1HB SER 23 -12.222 2.083 9.512 170 2HB SER 23 2HB SER 23 -12.931 1.101 8.246 171 HG SER 23 HG SER 23 -13.752 -0.343 9.938 172 H THR 24 H THR 24 -9.946 -0.600 7.148 173 HA THR 24 HA THR 24 -11.740 -2.890 6.707 174 HB THR 24 HB THR 24 -9.961 -1.233 4.845 175 HG1 THR 24 HG1 THR 24 -12.043 -0.330 5.475 176 1HG2 THR 24 3HG2 THR 24 -10.292 -3.816 4.318 177 2HG2 THR 24 1HG2 THR 24 -11.970 -3.336 3.969 178 3HG2 THR 24 2HG2 THR 24 -10.628 -2.622 3.042 179 H HIS 25 H HIS 25 -8.356 -1.853 7.160 180 HA HIS 25 HA HIS 25 -7.552 -4.643 6.919 181 1HB HIS 25 1HB HIS 25 -5.879 -2.124 7.128 182 2HB HIS 25 2HB HIS 25 -5.255 -3.747 6.911 183 HD1 HIS 25 HD1 HIS 25 -7.394 -1.167 5.084 184 HD2 HIS 25 HD2 HIS 25 -5.137 -4.612 4.290 185 HE1 HIS 25 HE1 HIS 25 -7.289 -1.383 2.543 186 H LYS 26 H LYS 26 -9.232 -3.809 9.140 187 HA LYS 26 HA LYS 26 -7.631 -3.289 11.408 188 1HB LYS 26 1HB LYS 26 -10.416 -4.481 11.274 189 2HB LYS 26 2HB LYS 26 -9.666 -3.725 12.665 190 1HG LYS 26 1HG LYS 26 -9.496 -1.570 11.408 191 2HG LYS 26 2HG LYS 26 -10.232 -2.324 10.008 192 1HD LYS 26 1HD LYS 26 -12.230 -1.653 10.864 193 2HD LYS 26 2HD LYS 26 -12.048 -2.948 12.030 194 1HE LYS 26 1HE LYS 26 -10.569 -1.127 13.333 195 2HE LYS 26 2HE LYS 26 -11.501 0.004 12.373 196 1HZ LYS 26 1HZ LYS 26 -13.224 -1.959 13.479 197 2HZ LYS 26 2HZ LYS 26 -12.345 -1.288 14.675 198 H SER 27 H SER 27 -8.738 -6.237 9.715 199 HA SER 27 HA SER 27 -7.917 -7.942 11.811 200 1HB SER 27 1HB SER 27 -8.307 -9.753 10.138 201 2HB SER 27 2HB SER 27 -9.662 -8.648 10.254 202 HG SER 27 HG SER 27 -9.452 -8.454 8.134 203 H VAL 28 H VAL 28 -6.271 -6.110 9.417 204 HA VAL 28 HA VAL 28 -4.088 -7.993 9.131 205 HB VAL 28 HB VAL 28 -4.358 -5.160 8.115 206 1HG1 VAL 28 1HG1 VAL 28 -2.452 -7.424 7.606 207 2HG1 VAL 28 2HG1 VAL 28 -2.818 -6.276 6.296 208 3HG1 VAL 28 3HG1 VAL 28 -2.127 -5.689 7.828 209 1HG2 VAL 28 1HG2 VAL 28 -6.257 -6.612 7.389 210 2HG2 VAL 28 2HG2 VAL 28 -5.227 -6.056 6.048 211 3HG2 VAL 28 3HG2 VAL 28 -5.075 -7.722 6.654 212 H LYS 29 H LYS 29 -2.005 -7.718 10.008 213 HA LYS 29 HA LYS 29 -1.967 -6.321 12.485 214 1HB LYS 29 1HB LYS 29 -0.559 -8.449 11.271 215 2HB LYS 29 2HB LYS 29 0.636 -7.208 11.592 216 1HG LYS 29 1HG LYS 29 0.655 -8.072 13.710 217 2HG LYS 29 2HG LYS 29 -0.798 -7.120 13.938 218 1HD LYS 29 1HD LYS 29 -2.197 -8.963 13.857 219 2HD LYS 29 2HD LYS 29 -1.210 -9.801 12.677 220 1HE LYS 29 1HE LYS 29 0.526 -9.865 14.763 221 2HE LYS 29 2HE LYS 29 -0.967 -9.762 15.675 222 1HZ LYS 29 1HZ LYS 29 -1.234 -11.664 13.582 223 2HZ LYS 29 2HZ LYS 29 0.072 -12.032 14.483 224 H CYS 30 H CYS 30 -0.910 -4.416 13.055 225 HA CYS 30 HA CYS 30 -0.702 -2.490 11.059 226 1HB CYS 30 1HB CYS 30 0.679 -2.273 13.723 227 2HB CYS 30 2HB CYS 30 -0.021 -1.002 12.742 228 H GLY 31 H GLY 31 1.531 -4.891 12.393 229 1HA GLY 31 1HA GLY 31 3.917 -3.611 11.389 230 2HA GLY 31 2HA GLY 31 3.777 -5.187 12.142 231 H ASP 32 H ASP 32 1.322 -5.127 9.872 232 HA ASP 32 HA ASP 32 2.868 -6.764 8.123 233 1HB ASP 32 1HB ASP 32 0.469 -7.234 8.829 234 2HB ASP 32 2HB ASP 32 -0.035 -5.846 7.886 235 H CYS 33 H CYS 33 1.650 -3.459 8.349 236 HA CYS 33 HA CYS 33 2.366 -3.017 5.543 237 1HB CYS 33 1HB CYS 33 0.202 -1.900 7.259 238 2HB CYS 33 2HB CYS 33 0.982 -0.781 6.159 239 H HIS 34 H HIS 34 2.299 -1.480 8.845 240 HA HIS 34 HA HIS 34 4.351 0.356 8.109 241 1HB HIS 34 1HB HIS 34 3.114 -0.296 10.798 242 2HB HIS 34 2HB HIS 34 4.215 1.032 10.494 243 HD1 HIS 34 HD1 HIS 34 3.314 2.997 8.908 244 HD2 HIS 34 HD2 HIS 34 0.456 0.173 10.115 245 HE1 HIS 34 HE1 HIS 34 1.034 4.040 8.434 246 H HIS 35 H HIS 35 5.512 -1.893 7.366 247 HA HIS 35 HA HIS 35 6.669 -3.607 9.049 248 1HB HIS 35 1HB HIS 35 8.481 -3.822 7.451 249 2HB HIS 35 2HB HIS 35 6.948 -3.636 6.623 250 HD1 HIS 35 HD1 HIS 35 9.952 -1.482 7.631 251 HD2 HIS 35 HD2 HIS 35 6.930 -1.655 4.727 252 HE1 HIS 35 HE1 HIS 35 10.465 0.371 5.954 253 HA PRO 36 HA PRO 36 9.272 -1.386 11.696 254 1HB PRO 36 1HB PRO 36 10.994 -3.345 12.511 255 2HB PRO 36 2HB PRO 36 9.386 -3.145 13.177 256 1HG PRO 36 1HG PRO 36 10.363 -5.182 11.270 257 2HG PRO 36 2HG PRO 36 8.917 -5.209 12.260 258 1HD PRO 36 1HD PRO 36 9.061 -4.660 9.448 259 2HD PRO 36 2HD PRO 36 7.634 -4.574 10.461 260 H VAL 37 H VAL 37 10.686 0.186 11.304 261 HA VAL 37 HA VAL 37 12.810 -0.569 9.421 262 HB VAL 37 HB VAL 37 11.530 2.111 9.997 263 1HG1 VAL 37 3HG1 VAL 37 14.087 1.439 8.823 264 2HG1 VAL 37 1HG1 VAL 37 13.038 2.223 7.618 265 3HG1 VAL 37 2HG1 VAL 37 13.381 3.037 9.163 266 1HG2 VAL 37 1HG2 VAL 37 11.144 0.036 7.872 267 2HG2 VAL 37 2HG2 VAL 37 9.954 1.086 8.676 268 3HG2 VAL 37 3HG2 VAL 37 11.021 1.752 7.417 269 H ASN 38 H ASN 38 14.743 -0.902 10.379 270 HA ASN 38 HA ASN 38 16.550 -0.316 11.514 271 1HB ASN 38 1HB ASN 38 15.292 2.069 11.763 272 2HB ASN 38 2HB ASN 38 15.108 1.535 13.422 273 1HD2 ASN 38 1HD2 ASN 38 16.615 3.754 12.540 274 2HD2 ASN 38 2HD2 ASN 38 18.283 3.502 12.935 275 H GLY 39 H GLY 39 13.512 -1.415 12.590 276 1HA GLY 39 1HA GLY 39 13.447 -3.331 14.012 277 2HA GLY 39 2HA GLY 39 14.715 -2.629 14.997 278 H LYS 40 H LYS 40 12.751 -0.056 14.088 279 HA LYS 40 HA LYS 40 11.205 -0.318 16.569 280 1HB LYS 40 1HB LYS 40 11.298 2.050 16.794 281 2HB LYS 40 2HB LYS 40 12.929 1.494 16.480 282 1HG LYS 40 1HG LYS 40 12.173 1.932 13.916 283 2HG LYS 40 2HG LYS 40 11.077 3.056 14.696 284 1HD LYS 40 1HD LYS 40 13.389 3.676 16.026 285 2HD LYS 40 2HD LYS 40 14.064 3.141 14.500 286 1HE LYS 40 1HE LYS 40 13.644 5.265 13.773 287 2HE LYS 40 2HE LYS 40 11.978 4.740 13.627 288 1HZ LYS 40 1HZ LYS 40 11.599 5.528 15.913 289 2HZ LYS 40 2HZ LYS 40 13.145 6.023 16.041 290 H GLU 41 H GLU 41 8.972 0.089 16.550 291 HA GLU 41 HA GLU 41 7.875 0.125 13.853 292 1HB GLU 41 1HB GLU 41 7.215 -1.351 16.312 293 2HB GLU 41 2HB GLU 41 5.806 -0.573 15.620 294 1HG GLU 41 1HG GLU 41 6.013 -1.738 13.553 295 2HG GLU 41 2HG GLU 41 7.698 -2.130 13.831 296 H ASP 42 H ASP 42 6.478 1.764 13.213 297 HA ASP 42 HA ASP 42 5.377 3.455 15.260 298 1HB ASP 42 1HB ASP 42 7.764 4.204 14.027 299 2HB ASP 42 2HB ASP 42 6.570 5.004 13.024 300 H TYR 43 H TYR 43 3.934 5.240 14.023 301 HA TYR 43 HA TYR 43 2.755 3.908 11.677 302 1HB TYR 43 1HB TYR 43 1.597 5.779 13.839 303 2HB TYR 43 2HB TYR 43 0.656 5.061 12.546 304 HD1 TYR 43 HD1 TYR 43 2.366 2.338 12.883 305 HD2 TYR 43 HD2 TYR 43 0.007 4.795 15.471 306 HE1 TYR 43 HE1 TYR 43 1.877 0.326 14.359 307 HE2 TYR 43 HE2 TYR 43 -0.475 2.775 16.938 308 HH TYR 43 HH TYR 43 0.834 0.529 17.392 309 H ARG 44 H ARG 44 4.085 5.036 10.144 310 HA ARG 44 HA ARG 44 3.442 7.875 10.054 311 1HB ARG 44 1HB ARG 44 6.017 6.581 10.098 312 2HB ARG 44 2HB ARG 44 5.816 7.268 8.498 313 1HG ARG 44 1HG ARG 44 5.499 9.485 9.359 314 2HG ARG 44 2HG ARG 44 5.185 8.904 10.983 315 1HD ARG 44 1HD ARG 44 7.391 9.071 11.487 316 2HD ARG 44 2HD ARG 44 7.783 7.922 10.223 317 HE ARG 44 HE ARG 44 8.287 9.710 8.745 318 1HH1 ARG 44 2HH2 ARG 44 6.920 10.947 11.771 319 2HH1 ARG 44 1HH2 ARG 44 7.367 12.588 11.446 320 HH2 ARG 44 HH1 ARG 44 8.517 13.111 9.410 321 H LYS 45 H LYS 45 3.932 8.689 7.592 322 HA LYS 45 HA LYS 45 2.219 7.041 5.964 323 1HB LYS 45 1HB LYS 45 3.458 9.777 5.566 324 2HB LYS 45 2HB LYS 45 2.452 8.987 4.369 325 1HG LYS 45 1HG LYS 45 0.842 10.224 5.524 326 2HG LYS 45 2HG LYS 45 0.746 8.699 6.381 327 1HD LYS 45 1HD LYS 45 2.151 9.529 8.190 328 2HD LYS 45 2HD LYS 45 2.565 10.973 7.287 329 1HE LYS 45 1HE LYS 45 -0.205 11.113 7.296 330 2HE LYS 45 2HE LYS 45 0.106 10.359 8.847 331 1HZ LYS 45 1HZ LYS 45 1.729 12.203 9.269 332 2HZ LYS 45 2HZ LYS 45 1.235 12.935 7.900 333 H CYS 46 H CYS 46 2.809 5.805 4.210 334 HA CYS 46 HA CYS 46 5.403 4.866 4.091 335 1HB CYS 46 1HB CYS 46 3.569 4.758 1.717 336 2HB CYS 46 2HB CYS 46 4.728 3.569 2.276 337 H GLY 47 H GLY 47 3.614 7.251 2.016 338 1HA GLY 47 1HA GLY 47 5.925 7.847 0.418 339 2HA GLY 47 2HA GLY 47 4.366 8.647 0.394 340 H THR 48 H THR 48 6.865 8.139 2.992 341 HA THR 48 HA THR 48 6.618 10.983 3.636 342 HB THR 48 HB THR 48 7.402 8.442 5.066 343 HG1 THR 48 HG1 THR 48 6.080 9.786 6.652 344 1HG2 THR 48 3HG2 THR 48 8.713 11.100 5.429 345 2HG2 THR 48 1HG2 THR 48 7.979 10.428 6.905 346 3HG2 THR 48 2HG2 THR 48 9.218 9.500 6.026 347 H ALA 49 H ALA 49 8.177 12.466 3.286 348 HA ALA 49 HA ALA 49 10.181 11.956 1.458 349 1HB ALA 49 1HB ALA 49 9.632 14.127 3.487 350 2HB ALA 49 2HB ALA 49 11.119 14.164 2.508 351 3HB ALA 49 3HB ALA 49 9.528 14.192 1.711 352 H GLY 50 H GLY 50 11.784 10.470 1.705 353 1HA GLY 50 1HA GLY 50 14.000 10.298 2.729 354 2HA GLY 50 2HA GLY 50 13.227 10.484 4.291 355 H CYS 51 H CYS 51 10.869 8.804 2.899 356 HA CYS 51 HA CYS 51 12.096 6.249 3.614 357 1HB CYS 51 1HB CYS 51 9.204 7.161 3.675 358 2HB CYS 51 2HB CYS 51 9.693 5.493 3.895 359 H HIS 52 H HIS 52 9.043 6.692 1.810 360 HA HIS 52 HA HIS 52 10.344 5.413 -0.475 361 1HB HIS 52 1HB HIS 52 7.468 5.410 0.468 362 2HB HIS 52 2HB HIS 52 7.969 4.786 -1.091 363 HD1 HIS 52 HD1 HIS 52 9.945 2.811 -0.891 364 HD2 HIS 52 HD2 HIS 52 7.529 3.539 2.460 365 HE1 HIS 52 HE1 HIS 52 10.144 0.747 0.596 366 H ASP 53 H ASP 53 11.189 7.709 -0.886 367 HA ASP 53 HA ASP 53 9.148 9.092 -2.437 368 1HB ASP 53 1HB ASP 53 10.064 10.165 -0.165 369 2HB ASP 53 2HB ASP 53 11.446 10.586 -1.156 370 H SER 54 H SER 54 10.156 7.694 -4.199 371 HA SER 54 HA SER 54 12.796 8.684 -4.938 372 1HB SER 54 1HB SER 54 12.540 6.198 -4.525 373 2HB SER 54 2HB SER 54 11.413 6.128 -5.865 374 HG SER 54 HG SER 54 13.290 7.205 -7.116 375 H MET 55 H MET 55 9.395 8.455 -5.782 376 HA MET 55 HA MET 55 8.217 9.077 -7.508 377 1HB MET 55 1HB MET 55 10.354 11.116 -7.140 378 2HB MET 55 2HB MET 55 9.652 11.159 -8.745 379 1HG MET 55 1HG MET 55 8.196 12.586 -7.586 380 2HG MET 55 2HG MET 55 7.336 11.064 -7.458 381 1HE MET 55 1HE MET 55 7.696 9.388 -5.495 382 2HE MET 55 2HE MET 55 7.440 10.074 -3.873 383 3HE MET 55 3HE MET 55 6.308 10.460 -5.191 384 H ASP 56 H ASP 56 10.020 6.882 -8.056 385 HA ASP 56 HA ASP 56 10.350 7.346 -10.908 386 1HB ASP 56 1HB ASP 56 12.443 6.892 -9.037 387 2HB ASP 56 2HB ASP 56 12.227 5.358 -9.857 388 H LYS 57 H LYS 57 8.475 6.119 -11.470 389 HA LYS 57 HA LYS 57 7.713 3.773 -10.146 390 1HB LYS 57 1HB LYS 57 6.049 4.966 -11.314 391 2HB LYS 57 2HB LYS 57 6.992 5.034 -12.790 392 1HG LYS 57 1HG LYS 57 6.539 2.260 -11.893 393 2HG LYS 57 2HG LYS 57 5.035 3.119 -12.157 394 1HD LYS 57 1HD LYS 57 5.281 2.922 -14.400 395 2HD LYS 57 2HD LYS 57 6.803 3.788 -14.332 396 1HE LYS 57 1HE LYS 57 8.035 1.874 -14.540 397 2HE LYS 57 2HE LYS 57 7.069 1.016 -13.357 398 1HZ LYS 57 1HZ LYS 57 5.811 0.109 -14.988 399 2HZ LYS 57 2HZ LYS 57 5.669 1.493 -15.834 400 H LYS 58 H LYS 58 9.675 4.390 -13.111 401 HA LYS 58 HA LYS 58 10.058 1.568 -13.510 402 1HB LYS 58 1HB LYS 58 10.071 3.778 -15.156 403 2HB LYS 58 2HB LYS 58 11.782 3.443 -14.986 404 1HG LYS 58 1HG LYS 58 11.523 1.810 -16.542 405 2HG LYS 58 2HG LYS 58 10.653 0.891 -15.331 406 1HD LYS 58 1HD LYS 58 8.845 1.003 -16.701 407 2HD LYS 58 2HD LYS 58 8.716 2.693 -16.255 408 1HE LYS 58 1HE LYS 58 8.959 3.085 -18.498 409 2HE LYS 58 2HE LYS 58 10.668 2.844 -18.192 410 1HZ LYS 58 1HZ LYS 58 9.948 0.327 -18.539 411 2HZ LYS 58 2HZ LYS 58 8.767 1.003 -19.434 412 H ASP 59 H ASP 59 10.777 1.856 -10.969 413 HA ASP 59 HA ASP 59 13.578 1.366 -11.114 414 1HB ASP 59 1HB ASP 59 13.306 3.898 -10.740 415 2HB ASP 59 2HB ASP 59 12.570 3.514 -9.196 416 H LYS 60 H LYS 60 13.036 -0.746 -10.305 417 HA LYS 60 HA LYS 60 11.472 -0.872 -7.855 418 1HB LYS 60 1HB LYS 60 12.447 -3.007 -9.774 419 2HB LYS 60 2HB LYS 60 11.566 -3.343 -8.297 420 1HG LYS 60 1HG LYS 60 9.751 -3.199 -9.717 421 2HG LYS 60 2HG LYS 60 9.880 -1.496 -9.325 422 1HD LYS 60 1HD LYS 60 9.800 -1.440 -11.673 423 2HD LYS 60 2HD LYS 60 11.525 -1.375 -11.376 424 1HE LYS 60 1HE LYS 60 11.272 -4.062 -11.467 425 2HE LYS 60 2HE LYS 60 9.863 -3.658 -12.427 426 1HZ LYS 60 1HZ LYS 60 12.393 -2.315 -13.073 427 2HZ LYS 60 2HZ LYS 60 12.211 -3.862 -13.545 428 H SER 61 H SER 61 12.304 -1.428 -5.863 429 HA SER 61 HA SER 61 14.665 -2.756 -5.475 430 1HB SER 61 1HB SER 61 16.136 -0.870 -4.658 431 2HB SER 61 2HB SER 61 15.894 -0.893 -6.393 432 HG SER 61 HG SER 61 15.369 1.119 -4.671 433 H ALA 62 H ALA 62 13.293 0.318 -4.071 434 HA ALA 62 HA ALA 62 11.829 -0.943 -2.069 435 1HB ALA 62 1HB ALA 62 14.326 -1.476 -1.447 436 2HB ALA 62 2HB ALA 62 14.360 0.220 -0.908 437 3HB ALA 62 3HB ALA 62 13.205 -0.922 -0.180 438 H LYS 63 H LYS 63 13.933 1.854 -2.954 439 HA LYS 63 HA LYS 63 12.371 3.716 -1.493 440 1HB LYS 63 1HB LYS 63 13.745 5.391 -2.622 441 2HB LYS 63 2HB LYS 63 14.730 4.098 -1.967 442 1HG LYS 63 1HG LYS 63 14.245 3.099 -4.478 443 2HG LYS 63 2HG LYS 63 14.193 4.817 -4.820 444 1HD LYS 63 1HD LYS 63 16.464 3.704 -3.150 445 2HD LYS 63 2HD LYS 63 16.505 3.513 -4.892 446 1HE LYS 63 1HE LYS 63 15.939 6.123 -4.893 447 2HE LYS 63 2HE LYS 63 16.584 6.063 -3.265 448 1HZ LYS 63 1HZ LYS 63 18.306 6.522 -4.961 449 2HZ LYS 63 2HZ LYS 63 18.645 5.156 -4.141 450 H GLY 64 H GLY 64 11.699 1.868 -4.235 451 1HA GLY 64 1HA GLY 64 10.321 3.852 -5.787 452 2HA GLY 64 2HA GLY 64 10.306 2.114 -6.008 453 H TYR 65 H TYR 65 8.778 4.879 -4.391 454 HA TYR 65 HA TYR 65 7.097 3.657 -2.620 455 1HB TYR 65 1HB TYR 65 7.310 6.107 -2.957 456 2HB TYR 65 2HB TYR 65 6.794 5.969 -4.626 457 HD1 TYR 65 HD1 TYR 65 5.499 5.163 -1.191 458 HD2 TYR 65 HD2 TYR 65 4.614 6.579 -5.130 459 HE1 TYR 65 HE1 TYR 65 3.098 5.625 -0.493 460 HE2 TYR 65 HE2 TYR 65 2.216 7.037 -4.419 461 HH TYR 65 HH TYR 65 1.080 7.566 -2.159 462 H TYR 66 H TYR 66 6.741 3.986 -6.194 463 HA TYR 66 HA TYR 66 4.132 2.795 -6.160 464 1HB TYR 66 1HB TYR 66 4.670 4.381 -7.918 465 2HB TYR 66 2HB TYR 66 6.269 3.702 -8.150 466 HD1 TYR 66 HD1 TYR 66 6.491 1.441 -9.292 467 HD2 TYR 66 HD2 TYR 66 2.817 3.631 -9.205 468 HE1 TYR 66 HE1 TYR 66 5.615 0.065 -11.243 469 HE2 TYR 66 HE2 TYR 66 1.954 2.248 -11.156 470 HH TYR 66 HH TYR 66 2.842 0.964 -12.981 471 H HIS 67 H HIS 67 7.137 1.512 -5.536 472 HA HIS 67 HA HIS 67 6.609 -0.927 -7.050 473 1HB HIS 67 1HB HIS 67 8.789 -0.557 -7.491 474 2HB HIS 67 2HB HIS 67 9.025 0.451 -6.078 475 HD1 HIS 67 HD1 HIS 67 9.533 -2.990 -7.351 476 HD2 HIS 67 HD2 HIS 67 9.570 -1.041 -3.636 477 HE1 HIS 67 HE1 HIS 67 10.693 -4.576 -5.723 478 H VAL 68 H VAL 68 6.209 0.534 -3.962 479 HA VAL 68 HA VAL 68 6.169 -2.086 -2.650 480 HB VAL 68 HB VAL 68 5.910 -0.517 -0.598 481 1HG1 VAL 68 3HG1 VAL 68 7.910 -1.937 -1.319 482 2HG1 VAL 68 1HG1 VAL 68 8.586 -0.442 -2.009 483 3HG1 VAL 68 2HG1 VAL 68 8.251 -0.545 -0.264 484 1HG2 VAL 68 1HG2 VAL 68 5.503 1.529 -1.977 485 2HG2 VAL 68 2HG2 VAL 68 6.846 1.696 -0.822 486 3HG2 VAL 68 3HG2 VAL 68 7.185 1.428 -2.548 487 H MET 69 H MET 69 4.168 -0.404 -4.543 488 HA MET 69 HA MET 69 1.887 -0.837 -2.773 489 1HB MET 69 1HB MET 69 2.164 1.028 -5.197 490 2HB MET 69 2HB MET 69 0.726 0.882 -4.205 491 1HG MET 69 1HG MET 69 3.399 1.610 -2.948 492 2HG MET 69 2HG MET 69 2.408 2.841 -3.707 493 1HE MET 69 3HE MET 69 3.388 1.324 -0.678 494 2HE MET 69 1HE MET 69 3.082 3.074 -0.555 495 3HE MET 69 2HE MET 69 2.183 1.938 0.479 496 H HIS 70 H HIS 70 3.559 -1.832 -5.629 497 HA HIS 70 HA HIS 70 1.234 -3.443 -6.359 498 1HB HIS 70 1HB HIS 70 3.076 -2.286 -8.448 499 2HB HIS 70 2HB HIS 70 1.515 -3.051 -8.670 500 HD1 HIS 70 HD1 HIS 70 3.006 0.153 -7.214 501 HD2 HIS 70 HD2 HIS 70 -0.628 -1.318 -8.707 502 HE1 HIS 70 HE1 HIS 70 1.428 2.153 -7.353 503 H ASP 71 H ASP 71 4.751 -2.951 -7.165 504 HA ASP 71 HA ASP 71 5.431 -5.353 -7.962 505 1HB ASP 71 1HB ASP 71 6.791 -3.155 -6.960 506 2HB ASP 71 2HB ASP 71 7.230 -4.385 -5.792 507 H LYS 72 H LYS 72 5.144 -7.438 -7.156 508 HA LYS 72 HA LYS 72 4.422 -7.738 -4.374 509 1HB LYS 72 1HB LYS 72 4.619 -9.893 -6.489 510 2HB LYS 72 2HB LYS 72 3.730 -9.943 -4.981 511 1HG LYS 72 1HG LYS 72 2.213 -8.156 -5.764 512 2HG LYS 72 2HG LYS 72 3.151 -7.959 -7.231 513 1HD LYS 72 1HD LYS 72 2.599 -10.689 -7.264 514 2HD LYS 72 2HD LYS 72 1.144 -10.034 -6.539 515 1HE LYS 72 1HE LYS 72 0.447 -9.516 -8.639 516 2HE LYS 72 2HE LYS 72 1.665 -8.257 -8.653 517 1HZ LYS 72 1HZ LYS 72 1.635 -10.333 -10.367 518 2HZ LYS 72 2HZ LYS 72 2.978 -9.479 -10.022 519 H ASN 73 H ASN 73 7.091 -8.542 -6.633 520 HA ASN 73 HA ASN 73 8.442 -10.215 -4.887 521 1HB ASN 73 1HB ASN 73 8.970 -8.803 -7.430 522 2HB ASN 73 2HB ASN 73 10.413 -8.912 -6.442 523 1HD2 ASN 73 2HD2 ASN 73 9.473 -11.981 -8.682 524 2HD2 ASN 73 1HD2 ASN 73 9.136 -10.300 -8.924 525 H THR 74 H THR 74 8.253 -9.001 -2.794 526 HA THR 74 HA THR 74 10.446 -7.105 -2.493 527 HB THR 74 HB THR 74 8.884 -5.556 -1.230 528 HG1 THR 74 HG1 THR 74 7.029 -7.470 -2.464 529 1HG2 THR 74 1HG2 THR 74 9.316 -5.171 -3.715 530 2HG2 THR 74 2HG2 THR 74 7.869 -6.149 -4.058 531 3HG2 THR 74 3HG2 THR 74 7.716 -4.613 -3.172 532 H LYS 75 H LYS 75 11.150 -6.849 -0.265 533 HA LYS 75 HA LYS 75 11.146 -9.326 1.062 534 1HB LYS 75 1HB LYS 75 13.039 -7.797 1.140 535 2HB LYS 75 2HB LYS 75 12.071 -6.575 1.939 536 1HG LYS 75 1HG LYS 75 11.745 -8.948 3.488 537 2HG LYS 75 2HG LYS 75 13.452 -8.867 3.101 538 1HD LYS 75 1HD LYS 75 12.292 -6.253 3.907 539 2HD LYS 75 2HD LYS 75 12.207 -7.474 5.161 540 1HE LYS 75 1HE LYS 75 14.365 -6.901 5.634 541 2HE LYS 75 2HE LYS 75 14.792 -7.838 4.216 542 1HZ LYS 75 1HZ LYS 75 14.260 -4.915 4.253 543 2HZ LYS 75 2HZ LYS 75 15.710 -5.622 4.028 544 H PHE 76 H PHE 76 9.003 -6.550 1.114 545 HA PHE 76 HA PHE 76 7.662 -7.717 3.461 546 1HB PHE 76 1HB PHE 76 7.894 -4.865 2.318 547 2HB PHE 76 2HB PHE 76 6.812 -5.266 3.637 548 HD1 PHE 76 HD2 PHE 76 8.035 -6.557 5.671 549 HD2 PHE 76 HD1 PHE 76 9.962 -3.969 2.862 550 HE1 PHE 76 HE2 PHE 76 9.917 -6.146 7.330 551 HE2 PHE 76 HE1 PHE 76 11.838 -3.567 4.530 552 HZ PHE 76 HZ PHE 76 11.733 -4.744 6.780 553 H LYS 77 H LYS 77 5.272 -7.484 3.480 554 HA LYS 77 HA LYS 77 4.195 -8.296 1.007 555 1HB LYS 77 1HB LYS 77 3.073 -7.661 3.727 556 2HB LYS 77 2HB LYS 77 1.995 -7.939 2.374 557 1HG LYS 77 1HG LYS 77 3.243 -10.127 1.934 558 2HG LYS 77 2HG LYS 77 4.122 -9.859 3.427 559 1HD LYS 77 1HD LYS 77 1.602 -9.523 4.380 560 2HD LYS 77 2HD LYS 77 1.228 -10.568 3.024 561 1HE LYS 77 1HE LYS 77 3.354 -11.212 5.123 562 2HE LYS 77 2HE LYS 77 1.704 -11.800 5.197 563 1HZ LYS 77 1HZ LYS 77 3.734 -12.440 3.139 564 2HZ LYS 77 2HZ LYS 77 2.936 -13.479 4.106 565 H SER 78 H SER 78 3.341 -7.149 -0.659 566 HA SER 78 HA SER 78 3.289 -4.279 -0.286 567 1HB SER 78 1HB SER 78 3.611 -4.079 -2.598 568 2HB SER 78 2HB SER 78 4.495 -5.548 -2.236 569 HG SER 78 HG SER 78 3.254 -6.167 -3.944 570 H CYS 79 H CYS 79 1.430 -3.053 -1.378 571 HA CYS 79 HA CYS 79 -0.961 -3.733 -0.305 572 1HB CYS 79 1HB CYS 79 -0.561 -2.184 -2.872 573 2HB CYS 79 2HB CYS 79 -1.979 -2.139 -1.844 574 H VAL 80 H VAL 80 -0.149 -4.008 -3.851 575 HA VAL 80 HA VAL 80 -2.331 -5.683 -4.399 576 HB VAL 80 HB VAL 80 0.256 -5.146 -5.868 577 1HG1 VAL 80 2HG1 VAL 80 -2.108 -6.848 -6.562 578 2HG1 VAL 80 3HG1 VAL 80 -1.343 -5.892 -7.853 579 3HG1 VAL 80 1HG1 VAL 80 -0.382 -7.076 -6.935 580 1HG2 VAL 80 2HG2 VAL 80 -2.296 -3.713 -5.583 581 2HG2 VAL 80 3HG2 VAL 80 -0.707 -3.132 -6.136 582 3HG2 VAL 80 1HG2 VAL 80 -1.796 -3.962 -7.273 583 H GLY 81 H GLY 81 1.063 -6.274 -3.419 584 1HA GLY 81 1HA GLY 81 1.345 -8.941 -4.009 585 2HA GLY 81 2HA GLY 81 2.056 -8.131 -2.627 586 H CYS 82 H CYS 82 0.143 -7.557 -0.859 587 HA CYS 82 HA CYS 82 -0.566 -10.047 0.172 588 1HB CYS 82 1HB CYS 82 -0.165 -8.045 1.560 589 2HB CYS 82 2HB CYS 82 -1.617 -7.299 0.923 590 H HIS 83 H HIS 83 -2.389 -7.460 -1.585 591 HA HIS 83 HA HIS 83 -4.907 -8.512 -1.373 592 1HB HIS 83 1HB HIS 83 -3.526 -6.827 -3.446 593 2HB HIS 83 2HB HIS 83 -5.173 -7.363 -3.712 594 HD1 HIS 83 HD1 HIS 83 -5.999 -4.873 -3.558 595 HD2 HIS 83 HD2 HIS 83 -4.240 -6.357 -0.051 596 HE1 HIS 83 HE1 HIS 83 -6.589 -3.218 -1.707 597 H VAL 84 H VAL 84 -2.279 -9.294 -3.719 598 HA VAL 84 HA VAL 84 -3.744 -10.955 -5.373 599 HB VAL 84 HB VAL 84 -0.837 -11.036 -4.546 600 1HG1 VAL 84 2HG1 VAL 84 -2.384 -12.811 -6.266 601 2HG1 VAL 84 3HG1 VAL 84 -1.053 -12.024 -7.147 602 3HG1 VAL 84 1HG1 VAL 84 -0.712 -12.964 -5.675 603 1HG2 VAL 84 1HG2 VAL 84 -2.310 -9.136 -6.041 604 2HG2 VAL 84 2HG2 VAL 84 -0.544 -9.243 -5.839 605 3HG2 VAL 84 3HG2 VAL 84 -1.334 -10.057 -7.211 606 H GLU 85 H GLU 85 -2.223 -11.539 -2.179 607 HA GLU 85 HA GLU 85 -2.674 -14.326 -2.308 608 1HB GLU 85 1HB GLU 85 -1.548 -12.373 -0.389 609 2HB GLU 85 2HB GLU 85 -2.373 -13.710 0.388 610 1HG GLU 85 1HG GLU 85 -0.774 -14.746 -1.803 611 2HG GLU 85 2HG GLU 85 0.232 -13.708 -0.812 612 H VAL 86 H VAL 86 -4.456 -11.468 -1.130 613 HA VAL 86 HA VAL 86 -6.364 -12.976 0.347 614 HB VAL 86 HB VAL 86 -6.393 -10.145 -0.717 615 1HG1 VAL 86 2HG1 VAL 86 -8.645 -11.210 -0.120 616 2HG1 VAL 86 3HG1 VAL 86 -8.062 -11.227 1.561 617 3HG1 VAL 86 1HG1 VAL 86 -8.229 -9.683 0.693 618 1HG2 VAL 86 2HG2 VAL 86 -5.260 -11.425 1.739 619 2HG2 VAL 86 3HG2 VAL 86 -4.639 -10.075 0.759 620 3HG2 VAL 86 1HG2 VAL 86 -5.987 -9.807 1.890 621 H ALA 87 H ALA 87 -6.396 -11.266 -2.858 622 HA ALA 87 HA ALA 87 -8.971 -12.167 -3.534 623 1HB ALA 87 1HB ALA 87 -6.742 -10.677 -4.740 624 2HB ALA 87 2HB ALA 87 -7.632 -11.670 -5.919 625 3HB ALA 87 3HB ALA 87 -8.498 -10.463 -4.939 626 H GLY 88 H GLY 88 -5.688 -13.533 -3.859 627 1HA GLY 88 1HA GLY 88 -4.959 -15.535 -4.572 628 2HA GLY 88 2HA GLY 88 -6.511 -16.162 -4.053 629 H ALA 89 H ALA 89 -8.144 -16.631 -5.572 630 HA ALA 89 HA ALA 89 -7.659 -15.847 -8.332 631 1HB ALA 89 3HB ALA 89 -6.543 -18.116 -7.759 632 2HB ALA 89 1HB ALA 89 -8.204 -18.746 -7.646 633 3HB ALA 89 2HB ALA 89 -7.617 -18.052 -9.177 634 H ASP 90 H ASP 90 -9.510 -14.540 -7.018 635 HA ASP 90 HA ASP 90 -11.965 -16.070 -7.243 636 1HB ASP 90 1HB ASP 90 -11.677 -14.926 -5.109 637 2HB ASP 90 2HB ASP 90 -11.273 -13.419 -5.907 638 H ALA 91 H ALA 91 -9.981 -13.607 -8.727 639 HA ALA 91 HA ALA 91 -10.216 -12.557 -10.681 640 1HB ALA 91 2HB ALA 91 -12.233 -14.510 -10.835 641 2HB ALA 91 3HB ALA 91 -13.047 -12.980 -11.241 642 3HB ALA 91 1HB ALA 91 -11.619 -13.500 -12.167 643 H ALA 92 H ALA 92 -13.609 -12.289 -9.430 644 HA ALA 92 HA ALA 92 -13.993 -9.670 -9.835 645 1HB ALA 92 2HB ALA 92 -15.257 -11.724 -8.452 646 2HB ALA 92 3HB ALA 92 -14.965 -10.504 -7.190 647 3HB ALA 92 1HB ALA 92 -15.877 -10.068 -8.655 648 H LYS 93 H LYS 93 -12.623 -11.055 -6.760 649 HA LYS 93 HA LYS 93 -11.981 -8.524 -5.716 650 1HB LYS 93 1HB LYS 93 -11.073 -11.330 -5.033 651 2HB LYS 93 2HB LYS 93 -10.568 -9.917 -4.129 652 1HG LYS 93 1HG LYS 93 -13.000 -9.339 -3.746 653 2HG LYS 93 2HG LYS 93 -13.455 -10.816 -4.572 654 1HD LYS 93 1HD LYS 93 -11.541 -11.646 -2.661 655 2HD LYS 93 2HD LYS 93 -12.501 -10.447 -1.819 656 1HE LYS 93 1HE LYS 93 -14.060 -12.067 -1.489 657 2HE LYS 93 2HE LYS 93 -14.428 -11.958 -3.199 658 1HZ LYS 93 1HZ LYS 93 -12.313 -13.553 -3.305 659 2HZ LYS 93 2HZ LYS 93 -12.822 -13.960 -1.812 660 H LYS 94 H LYS 94 -10.232 -10.900 -7.751 661 HA LYS 94 HA LYS 94 -7.718 -9.672 -7.524 662 1HB LYS 94 1HB LYS 94 -8.305 -12.024 -8.342 663 2HB LYS 94 2HB LYS 94 -8.714 -11.289 -9.879 664 1HG LYS 94 1HG LYS 94 -6.336 -10.153 -9.698 665 2HG LYS 94 2HG LYS 94 -6.012 -11.390 -8.499 666 1HD LYS 94 1HD LYS 94 -6.818 -13.111 -10.257 667 2HD LYS 94 2HD LYS 94 -6.768 -11.804 -11.423 668 1HE LYS 94 1HE LYS 94 -4.303 -12.019 -9.778 669 2HE LYS 94 2HE LYS 94 -4.618 -13.439 -10.754 670 1HZ LYS 94 1HZ LYS 94 -3.819 -10.825 -11.619 671 2HZ LYS 94 2HZ LYS 94 -3.728 -12.237 -12.425 672 H LYS 95 H LYS 95 -10.634 -8.542 -8.856 673 HA LYS 95 HA LYS 95 -9.141 -6.737 -10.631 674 1HB LYS 95 1HB LYS 95 -11.145 -8.478 -11.357 675 2HB LYS 95 2HB LYS 95 -12.041 -6.997 -11.084 676 1HG LYS 95 1HG LYS 95 -10.816 -5.793 -12.727 677 2HG LYS 95 2HG LYS 95 -9.468 -6.913 -12.687 678 1HD LYS 95 1HD LYS 95 -11.680 -8.511 -13.431 679 2HD LYS 95 2HD LYS 95 -11.917 -7.012 -14.306 680 1HE LYS 95 1HE LYS 95 -9.822 -7.193 -15.439 681 2HE LYS 95 2HE LYS 95 -9.189 -8.348 -14.284 682 1HZ LYS 95 1HZ LYS 95 -11.167 -8.828 -16.417 683 2HZ LYS 95 2HZ LYS 95 -9.814 -9.671 -16.085 684 H ASP 96 H ASP 96 -10.675 -7.065 -7.646 685 HA ASP 96 HA ASP 96 -11.402 -4.241 -7.699 686 1HB ASP 96 1HB ASP 96 -12.778 -6.611 -6.687 687 2HB ASP 96 2HB ASP 96 -12.489 -5.489 -5.373 688 H LEU 97 H LEU 97 -9.016 -6.394 -6.836 689 HA LEU 97 HA LEU 97 -8.312 -4.837 -4.449 690 1HB LEU 97 1HB LEU 97 -8.098 -7.807 -4.910 691 2HB LEU 97 2HB LEU 97 -7.155 -6.972 -3.691 692 HG LEU 97 HG LEU 97 -10.139 -7.376 -3.810 693 1HD1 LEU 97 1HD1 LEU 97 -7.894 -8.402 -2.223 694 2HD1 LEU 97 2HD1 LEU 97 -9.280 -7.858 -1.247 695 3HD1 LEU 97 3HD1 LEU 97 -9.512 -9.086 -2.514 696 1HD2 LEU 97 3HD2 LEU 97 -8.641 -5.159 -2.496 697 2HD2 LEU 97 1HD2 LEU 97 -10.285 -5.195 -3.178 698 3HD2 LEU 97 2HD2 LEU 97 -9.965 -5.925 -1.587 699 H THR 98 H THR 98 -7.136 -6.911 -7.176 700 HA THR 98 HA THR 98 -4.658 -5.319 -7.126 701 HB THR 98 HB THR 98 -3.543 -7.300 -7.932 702 HG1 THR 98 HG1 THR 98 -6.263 -8.374 -8.166 703 1HG2 THR 98 3HG2 THR 98 -5.769 -8.222 -6.037 704 2HG2 THR 98 1HG2 THR 98 -4.304 -9.158 -6.422 705 3HG2 THR 98 2HG2 THR 98 -4.170 -7.616 -5.543 706 H GLY 99 H GLY 99 -7.535 -5.068 -8.476 707 1HA GLY 99 1HA GLY 99 -7.150 -5.261 -11.245 708 2HA GLY 99 2HA GLY 99 -8.324 -4.258 -10.417 709 H CYS 100 H CYS 100 -6.673 -3.650 -12.837 710 HA CYS 100 HA CYS 100 -4.790 -1.689 -11.868 711 1HB CYS 100 1HB CYS 100 -5.452 -2.890 -14.520 712 2HB CYS 100 2HB CYS 100 -4.713 -1.301 -14.494 713 H LYS 101 H LYS 101 -7.850 -1.906 -13.813 714 HA LYS 101 HA LYS 101 -8.383 0.870 -13.031 715 1HB LYS 101 1HB LYS 101 -7.611 0.816 -15.369 716 2HB LYS 101 2HB LYS 101 -8.860 -0.345 -15.769 717 1HG LYS 101 1HG LYS 101 -10.438 1.538 -14.631 718 2HG LYS 101 2HG LYS 101 -9.121 2.584 -15.123 719 1HD LYS 101 1HD LYS 101 -9.903 0.672 -17.240 720 2HD LYS 101 2HD LYS 101 -11.225 1.714 -16.755 721 1HE LYS 101 1HE LYS 101 -8.656 3.163 -17.067 722 2HE LYS 101 2HE LYS 101 -9.200 2.400 -18.548 723 1HZ LYS 101 1HZ LYS 101 -10.514 4.519 -17.008 724 2HZ LYS 101 2HZ LYS 101 -10.361 4.374 -18.623 725 H LYS 102 H LYS 102 -10.469 1.287 -12.327 726 HA LYS 102 HA LYS 102 -12.554 0.895 -11.696 727 1HB LYS 102 1HB LYS 102 -12.803 0.042 -14.075 728 2HB LYS 102 2HB LYS 102 -12.587 -1.577 -13.443 729 1HG LYS 102 1HG LYS 102 -14.493 -0.855 -11.728 730 2HG LYS 102 2HG LYS 102 -14.851 0.366 -12.933 731 1HD LYS 102 1HD LYS 102 -14.494 -2.101 -14.351 732 2HD LYS 102 2HD LYS 102 -15.506 -2.463 -12.967 733 1HE LYS 102 1HE LYS 102 -16.540 -0.023 -13.929 734 2HE LYS 102 2HE LYS 102 -16.144 -0.910 -15.388 735 1HZ LYS 102 1HZ LYS 102 -17.903 -1.844 -13.188 736 2HZ LYS 102 2HZ LYS 102 -18.340 -1.541 -14.728 737 H SER 103 H SER 103 -10.469 0.219 -10.022 738 HA SER 103 HA SER 103 -11.466 -2.265 -8.860 739 1HB SER 103 1HB SER 103 -8.969 -1.962 -7.738 740 2HB SER 103 2HB SER 103 -9.322 -2.977 -9.122 741 HG SER 103 HG SER 103 -8.527 -0.194 -9.288 742 H LYS 104 H LYS 104 -10.305 -2.117 -6.328 743 HA LYS 104 HA LYS 104 -11.921 -0.097 -5.128 744 1HB LYS 104 1HB LYS 104 -10.081 -2.247 -4.068 745 2HB LYS 104 2HB LYS 104 -10.842 -1.076 -3.009 746 1HG LYS 104 1HG LYS 104 -12.564 -2.546 -5.014 747 2HG LYS 104 2HG LYS 104 -12.038 -3.399 -3.576 748 1HD LYS 104 1HD LYS 104 -12.887 -0.981 -2.507 749 2HD LYS 104 2HD LYS 104 -13.999 -1.180 -3.847 750 1HE LYS 104 1HE LYS 104 -13.477 -3.550 -2.042 751 2HE LYS 104 2HE LYS 104 -14.516 -2.267 -1.456 752 1HZ LYS 104 1HZ LYS 104 -15.263 -2.898 -4.102 753 2HZ LYS 104 2HZ LYS 104 -15.199 -4.287 -3.254 754 H CYS 105 H CYS 105 -8.526 -0.482 -6.060 755 HA CYS 105 HA CYS 105 -7.721 1.761 -4.448 756 1HB CYS 105 1HB CYS 105 -6.136 0.205 -6.517 757 2HB CYS 105 2HB CYS 105 -5.491 1.363 -5.371 758 H HIS 106 H HIS 106 -7.452 0.942 -7.991 759 HA HIS 106 HA HIS 106 -7.671 3.783 -8.557 760 1HB HIS 106 1HB HIS 106 -6.894 1.436 -10.311 761 2HB HIS 106 2HB HIS 106 -6.956 3.104 -10.845 762 HD1 HIS 106 HD1 HIS 106 -5.428 4.731 -8.963 763 HD2 HIS 106 HD2 HIS 106 -4.331 0.753 -9.721 764 HE1 HIS 106 HE1 HIS 106 -2.974 4.526 -8.295 765 H GLU 107 H GLU 107 -9.488 4.705 -9.405 766 HA GLU 107 HA GLU 107 -11.531 2.828 -10.311 767 1HB GLU 107 1HB GLU 107 -11.760 5.342 -8.632 768 2HB GLU 107 2HB GLU 107 -13.132 4.766 -9.557 769 1HG GLU 107 1HG GLU 107 -12.354 2.422 -8.361 770 2HG GLU 107 2HG GLU 107 -11.831 3.569 -7.144 771 HHA HEC 108 HHA HEC 108 -0.882 6.631 7.535 772 HHB HEC 108 HHB HEC 108 -1.670 3.977 13.318 773 HHC HEC 108 HHC HEC 108 -2.539 -1.752 10.583 774 HHD HEC 108 HHD HEC 108 -1.152 0.828 4.824 775 1HMA HEC 108 1HMA HEC 108 -1.699 7.611 12.714 776 2HMA HEC 108 2HMA HEC 108 -1.786 6.028 13.523 777 3HMA HEC 108 3HMA HEC 108 -0.203 6.751 13.151 778 1HAA HEC 108 1HAA HEC 108 -0.315 8.007 8.933 779 2HAA HEC 108 2HAA HEC 108 -1.694 8.501 9.945 780 1HBA HEC 108 1HBA HEC 108 0.476 7.928 11.686 781 2HBA HEC 108 2HBA HEC 108 1.093 8.942 10.360 782 1HMB HEC 108 1HMB HEC 108 -3.529 1.305 14.939 783 2HMB HEC 108 2HMB HEC 108 -1.764 1.345 15.161 784 3HMB HEC 108 3HMB HEC 108 -2.631 2.817 14.663 785 HAB HEC 108 HAB HEC 108 -3.226 -1.880 12.447 786 1HBB HEC 108 1HBB HEC 108 -4.952 -0.277 13.603 787 2HBB HEC 108 2HBB HEC 108 -4.771 -1.966 14.136 788 3HBB HEC 108 3HBB HEC 108 -4.004 -0.654 15.062 789 1HMC HEC 108 1HMC HEC 108 -1.766 -3.730 7.672 790 2HMC HEC 108 2HMC HEC 108 -2.509 -3.226 9.209 791 3HMC HEC 108 3HMC HEC 108 -3.496 -3.319 7.731 792 HAC HEC 108 HAC HEC 108 -1.964 -1.078 4.497 793 1HBC HEC 108 1HBC HEC 108 -3.739 -2.643 5.502 794 2HBC HEC 108 2HBC HEC 108 -2.853 -3.185 4.057 795 3HBC HEC 108 3HBC HEC 108 -2.411 -3.817 5.661 796 1HMD HEC 108 1HMD HEC 108 -1.412 3.047 3.046 797 2HMD HEC 108 2HMD HEC 108 0.137 3.922 3.093 798 3HMD HEC 108 3HMD HEC 108 0.077 2.196 3.523 799 1HAD HEC 108 1HAD HEC 108 -0.583 6.859 5.560 800 2HAD HEC 108 2HAD HEC 108 0.819 6.080 4.787 801 1HBD HEC 108 1HBD HEC 108 -1.389 5.324 3.237 802 2HBD HEC 108 2HBD HEC 108 -1.637 7.045 3.617 803 HHA HEC 109 HHA HEC 109 11.702 -2.211 1.729 804 HHB HEC 109 HHB HEC 109 5.339 -1.521 1.348 805 HHC HEC 109 HHC HEC 109 5.612 3.359 5.496 806 HHD HEC 109 HHD HEC 109 12.084 3.326 4.939 807 1HMA HEC 109 1HMA HEC 109 7.276 -3.986 -0.635 808 2HMA HEC 109 2HMA HEC 109 6.515 -4.372 0.927 809 3HMA HEC 109 3HMA HEC 109 5.935 -2.986 -0.027 810 1HAA HEC 109 1HAA HEC 109 10.947 -3.909 0.898 811 2HAA HEC 109 2HAA HEC 109 9.487 -4.808 0.420 812 1HBA HEC 109 1HBA HEC 109 9.390 -3.551 -1.674 813 2HBA HEC 109 2HBA HEC 109 10.836 -2.631 -1.195 814 1HMB HEC 109 1HMB HEC 109 2.947 -1.180 3.252 815 2HMB HEC 109 2HMB HEC 109 2.366 0.349 2.549 816 3HMB HEC 109 3HMB HEC 109 3.401 -0.735 1.589 817 HAB HEC 109 HAB HEC 109 3.719 2.801 5.371 818 1HBB HEC 109 1HBB HEC 109 2.297 1.416 6.347 819 2HBB HEC 109 2HBB HEC 109 1.325 1.406 4.855 820 3HBB HEC 109 3HBB HEC 109 2.587 0.175 5.104 821 1HMC HEC 109 1HMC HEC 109 7.325 6.097 6.041 822 2HMC HEC 109 2HMC HEC 109 6.454 4.769 6.845 823 3HMC HEC 109 3HMC HEC 109 7.914 5.458 7.594 824 HAC HEC 109 HAC HEC 109 11.627 4.862 6.061 825 1HBC HEC 109 1HBC HEC 109 9.852 6.025 8.160 826 2HBC HEC 109 2HBC HEC 109 10.332 4.317 8.298 827 3HBC HEC 109 3HBC HEC 109 11.576 5.587 8.223 828 1HMD HEC 109 1HMD HEC 109 15.066 1.384 3.625 829 2HMD HEC 109 2HMD HEC 109 14.104 2.855 3.905 830 3HMD HEC 109 3HMD HEC 109 14.310 1.665 5.212 831 1HAD HEC 109 1HAD HEC 109 13.649 -1.932 2.275 832 2HAD HEC 109 2HAD HEC 109 14.385 -0.498 1.520 833 1HBD HEC 109 1HBD HEC 109 14.960 -0.495 4.334 834 2HBD HEC 109 2HBD HEC 109 15.392 -2.071 3.629 835 HHA HEC 110 HHA HEC 110 -10.191 -4.708 0.950 836 HHB HEC 110 HHB HEC 110 -6.352 0.093 -0.873 837 HHC HEC 110 HHC HEC 110 -1.426 -2.766 2.061 838 HHD HEC 110 HHD HEC 110 -5.117 -7.913 3.202 839 1HMA HEC 110 1HMA HEC 110 -9.067 -0.264 -2.371 840 2HMA HEC 110 2HMA HEC 110 -10.040 0.260 -0.976 841 3HMA HEC 110 3HMA HEC 110 -8.322 0.713 -1.083 842 1HAA HEC 110 1HAA HEC 110 -11.269 -1.810 -1.216 843 2HAA HEC 110 2HAA HEC 110 -11.190 -3.507 -0.684 844 1HBA HEC 110 1HBA HEC 110 -11.987 -3.038 1.392 845 2HBA HEC 110 2HBA HEC 110 -11.273 -1.408 1.427 846 1HMB HEC 110 1HMB HEC 110 -2.852 1.100 -1.406 847 2HMB HEC 110 2HMB HEC 110 -4.625 1.011 -1.537 848 3HMB HEC 110 3HMB HEC 110 -3.875 1.813 -0.136 849 HAB HEC 110 HAB HEC 110 -0.737 -1.085 1.233 850 1HBB HEC 110 1HBB HEC 110 -0.763 1.564 0.087 851 2HBB HEC 110 2HBB HEC 110 -2.073 1.377 1.278 852 3HBB HEC 110 3HBB HEC 110 -0.389 1.041 1.747 853 1HMC HEC 110 1HMC HEC 110 -0.188 -4.327 2.526 854 2HMC HEC 110 2HMC HEC 110 -0.256 -5.523 3.843 855 3HMC HEC 110 3HMC HEC 110 -0.014 -6.061 2.163 856 HAC HEC 110 HAC HEC 110 -3.190 -8.105 4.268 857 1HBC HEC 110 1HBC HEC 110 -0.275 -7.540 3.689 858 2HBC HEC 110 2HBC HEC 110 -1.161 -6.927 5.106 859 3HBC HEC 110 3HBC HEC 110 -0.948 -8.680 4.879 860 1HMD HEC 110 1HMD HEC 110 -8.585 -8.705 4.153 861 2HMD HEC 110 2HMD HEC 110 -7.783 -9.474 2.762 862 3HMD HEC 110 3HMD HEC 110 -6.808 -8.738 4.056 863 1HAD HEC 110 1HAD HEC 110 -10.343 -8.078 2.744 864 2HAD HEC 110 2HAD HEC 110 -10.796 -6.372 2.978 865 1HBD HEC 110 1HBD HEC 110 -10.296 -6.690 0.218 866 2HBD HEC 110 2HBD HEC 110 -11.266 -8.092 0.731 867 HHA HEC 111 HHA HEC 111 0.511 5.499 -7.672 868 HHB HEC 111 HHB HEC 111 -0.550 1.995 -12.934 869 HHC HEC 111 HHC HEC 111 -3.248 -2.591 -9.359 870 HHD HEC 111 HHD HEC 111 -2.976 1.366 -4.232 871 1HMA HEC 111 1HMA HEC 111 1.521 3.493 -13.156 872 2HMA HEC 111 2HMA HEC 111 0.037 4.429 -13.456 873 3HMA HEC 111 3HMA HEC 111 1.487 5.240 -12.818 874 1HAA HEC 111 1HAA HEC 111 0.776 6.884 -10.652 875 2HAA HEC 111 2HAA HEC 111 1.528 6.335 -9.135 876 1HBA HEC 111 1HBA HEC 111 3.510 6.287 -10.116 877 2HBA HEC 111 2HBA HEC 111 2.913 5.139 -11.338 878 1HMB HEC 111 1HMB HEC 111 -1.969 -0.572 -14.387 879 2HMB HEC 111 2HMB HEC 111 -0.462 0.290 -13.995 880 3HMB HEC 111 3HMB HEC 111 -0.518 -1.487 -13.912 881 HAB HEC 111 HAB HEC 111 -3.445 -3.097 -11.473 882 1HBB HEC 111 1HBB HEC 111 -1.988 -4.865 -11.611 883 2HBB HEC 111 2HBB HEC 111 -0.754 -3.928 -12.487 884 3HBB HEC 111 3HBB HEC 111 -0.997 -3.669 -10.743 885 1HMC HEC 111 1HMC HEC 111 -5.667 -2.741 -6.650 886 2HMC HEC 111 2HMC HEC 111 -4.539 -3.282 -7.917 887 3HMC HEC 111 3HMC HEC 111 -4.190 -3.631 -6.206 888 HAC HEC 111 HAC HEC 111 -3.898 -0.301 -3.644 889 1HBC HEC 111 1HBC HEC 111 -4.475 -2.404 -2.731 890 2HBC HEC 111 2HBC HEC 111 -4.825 -3.091 -4.335 891 3HBC HEC 111 3HBC HEC 111 -3.149 -2.701 -3.881 892 1HMD HEC 111 1HMD HEC 111 -1.037 4.326 -2.784 893 2HMD HEC 111 2HMD HEC 111 -2.633 3.585 -3.054 894 3HMD HEC 111 3HMD HEC 111 -1.205 2.554 -2.796 895 1HAD HEC 111 1HAD HEC 111 0.703 5.326 -4.057 896 2HAD HEC 111 2HAD HEC 111 0.828 5.915 -5.732 897 1HBD HEC 111 1HBD HEC 111 -1.571 6.811 -5.354 898 2HBD HEC 111 2HBD HEC 111 -1.205 6.590 -3.626 No H/Q in entry = 898 Start of MODEL 6 1 1H ALA 1 1H ALA 1 0.241 2.793 23.499 2 2H ALA 1 2H ALA 1 -1.368 2.761 23.108 3 HA ALA 1 HA ALA 1 0.778 3.423 21.542 4 1HB ALA 1 1HB ALA 1 -0.664 0.861 20.775 5 2HB ALA 1 2HB ALA 1 0.225 1.862 19.603 6 3HB ALA 1 3HB ALA 1 1.086 1.117 20.971 7 HA PRO 2 HA PRO 2 -2.496 5.759 19.954 8 1HB PRO 2 1HB PRO 2 -1.566 6.532 17.503 9 2HB PRO 2 2HB PRO 2 -1.066 7.292 19.001 10 1HG PRO 2 1HG PRO 2 0.431 5.400 17.293 11 2HG PRO 2 2HG PRO 2 1.041 6.480 18.531 12 1HD PRO 2 1HD PRO 2 0.657 3.648 18.764 13 2HD PRO 2 2HD PRO 2 1.156 4.746 20.035 14 H LYS 3 H LYS 3 -4.373 5.895 18.643 15 HA LYS 3 HA LYS 3 -4.928 3.296 17.513 16 1HB LYS 3 1HB LYS 3 -6.420 5.347 18.808 17 2HB LYS 3 2HB LYS 3 -7.082 5.166 17.196 18 1HG LYS 3 1HG LYS 3 -6.856 2.547 17.772 19 2HG LYS 3 2HG LYS 3 -6.919 3.135 19.421 20 1HD LYS 3 1HD LYS 3 -9.194 2.890 19.036 21 2HD LYS 3 2HD LYS 3 -9.002 4.547 18.499 22 1HE LYS 3 1HE LYS 3 -8.681 3.713 16.137 23 2HE LYS 3 2HE LYS 3 -8.965 2.077 16.699 24 1HZ LYS 3 1HZ LYS 3 -10.886 4.087 16.131 25 2HZ LYS 3 2HZ LYS 3 -11.141 2.508 16.439 26 H ALA 4 H ALA 4 -6.159 3.253 15.341 27 HA ALA 4 HA ALA 4 -4.430 4.293 13.384 28 1HB ALA 4 3HB ALA 4 -6.121 2.228 13.472 29 2HB ALA 4 1HB ALA 4 -7.222 3.409 12.724 30 3HB ALA 4 2HB ALA 4 -5.680 3.003 11.932 31 HA PRO 5 HA PRO 5 -6.213 8.152 12.592 32 1HB PRO 5 1HB PRO 5 -5.625 8.535 9.951 33 2HB PRO 5 2HB PRO 5 -4.460 8.779 11.237 34 1HG PRO 5 1HG PRO 5 -4.653 6.544 9.312 35 2HG PRO 5 2HG PRO 5 -3.290 7.025 10.303 36 1HD PRO 5 1HD PRO 5 -5.054 4.813 10.770 37 2HD PRO 5 2HD PRO 5 -3.763 5.364 11.820 38 H ALA 6 H ALA 6 -7.764 9.483 11.238 39 HA ALA 6 HA ALA 6 -10.179 8.140 11.205 40 1HB ALA 6 1HB ALA 6 -9.096 10.727 10.148 41 2HB ALA 6 2HB ALA 6 -10.686 10.190 9.554 42 3HB ALA 6 3HB ALA 6 -10.422 10.429 11.298 43 H ASP 7 H ASP 7 -11.598 8.156 9.027 44 HA ASP 7 HA ASP 7 -10.157 6.360 7.304 45 1HB ASP 7 1HB ASP 7 -12.592 6.292 6.235 46 2HB ASP 7 2HB ASP 7 -12.253 5.447 7.732 47 H GLY 8 H GLY 8 -10.822 6.615 4.807 48 1HA GLY 8 1HA GLY 8 -11.046 7.886 2.937 49 2HA GLY 8 2HA GLY 8 -11.403 9.291 3.922 50 H LEU 9 H LEU 9 -8.523 7.318 4.591 51 HA LEU 9 HA LEU 9 -6.859 9.601 4.201 52 1HB LEU 9 1HB LEU 9 -6.321 8.229 6.012 53 2HB LEU 9 2HB LEU 9 -6.439 6.758 5.067 54 HG LEU 9 HG LEU 9 -4.110 7.858 5.794 55 1HD1 LEU 9 2HD1 LEU 9 -4.704 5.683 4.514 56 2HD1 LEU 9 3HD1 LEU 9 -4.260 6.612 3.062 57 3HD1 LEU 9 1HD1 LEU 9 -3.067 6.365 4.359 58 1HD2 LEU 9 3HD2 LEU 9 -4.868 9.870 4.240 59 2HD2 LEU 9 1HD2 LEU 9 -3.167 9.361 4.363 60 3HD2 LEU 9 2HD2 LEU 9 -4.154 8.840 2.977 61 H LYS 10 H LYS 10 -6.674 10.291 2.101 62 HA LYS 10 HA LYS 10 -5.991 8.235 0.125 63 1HB LYS 10 1HB LYS 10 -7.970 9.402 -0.508 64 2HB LYS 10 2HB LYS 10 -7.270 10.963 -0.130 65 1HG LYS 10 1HG LYS 10 -5.469 10.399 -1.930 66 2HG LYS 10 2HG LYS 10 -6.538 9.100 -2.423 67 1HD LYS 10 1HD LYS 10 -8.093 11.536 -2.121 68 2HD LYS 10 2HD LYS 10 -6.700 11.874 -3.129 69 1HE LYS 10 1HE LYS 10 -8.041 11.043 -4.803 70 2HE LYS 10 2HE LYS 10 -7.459 9.494 -4.228 71 1HZ LYS 10 1HZ LYS 10 -9.697 10.389 -2.693 72 2HZ LYS 10 2HZ LYS 10 -10.083 10.303 -4.273 73 H MET 11 H MET 11 -4.122 8.447 -1.161 74 HA MET 11 HA MET 11 -2.325 10.553 -0.235 75 1HB MET 11 1HB MET 11 -0.470 8.861 -0.620 76 2HB MET 11 2HB MET 11 -1.583 8.371 0.642 77 1HG MET 11 1HG MET 11 -2.626 7.407 -1.875 78 2HG MET 11 2HG MET 11 -0.929 6.976 -1.798 79 1HE MET 11 1HE MET 11 0.144 5.583 -0.442 80 2HE MET 11 2HE MET 11 -0.521 4.413 0.723 81 3HE MET 11 3HE MET 11 -0.850 4.222 -1.016 82 H GLU 12 H GLU 12 -2.007 12.000 -1.869 83 HA GLU 12 HA GLU 12 -2.041 10.915 -4.572 84 1HB GLU 12 1HB GLU 12 -3.733 12.708 -3.927 85 2HB GLU 12 2HB GLU 12 -2.395 13.822 -3.727 86 1HG GLU 12 1HG GLU 12 -2.609 12.274 -6.315 87 2HG GLU 12 2HG GLU 12 -3.691 13.629 -6.060 88 H ALA 13 H ALA 13 0.262 10.185 -3.926 89 HA ALA 13 HA ALA 13 2.158 12.403 -3.994 90 1HB ALA 13 3HB ALA 13 2.272 10.545 -2.263 91 2HB ALA 13 1HB ALA 13 2.687 9.437 -3.592 92 3HB ALA 13 2HB ALA 13 3.763 10.800 -3.201 93 H THR 14 H THR 14 0.512 10.243 -6.072 94 HA THR 14 HA THR 14 2.545 10.716 -8.143 95 HB THR 14 HB THR 14 2.362 8.433 -8.873 96 HG1 THR 14 HG1 THR 14 0.081 8.542 -7.034 97 1HG2 THR 14 1HG2 THR 14 2.087 8.345 -5.821 98 2HG2 THR 14 2HG2 THR 14 2.695 7.023 -6.846 99 3HG2 THR 14 3HG2 THR 14 3.621 8.536 -6.703 100 H LYS 15 H LYS 15 1.436 10.089 -10.400 101 HA LYS 15 HA LYS 15 -0.576 12.021 -10.718 102 1HB LYS 15 1HB LYS 15 1.137 11.317 -12.418 103 2HB LYS 15 2HB LYS 15 0.238 9.832 -12.649 104 1HG LYS 15 1HG LYS 15 -1.541 10.896 -13.708 105 2HG LYS 15 2HG LYS 15 -1.340 12.382 -12.801 106 1HD LYS 15 1HD LYS 15 0.652 12.980 -14.127 107 2HD LYS 15 2HD LYS 15 0.602 11.440 -14.962 108 1HE LYS 15 1HE LYS 15 -1.833 12.149 -15.666 109 2HE LYS 15 2HE LYS 15 -1.345 13.763 -15.188 110 1HZ LYS 15 1HZ LYS 15 0.722 12.807 -16.756 111 2HZ LYS 15 2HZ LYS 15 -0.626 12.339 -17.541 112 H GLN 16 H GLN 16 -0.675 8.853 -9.457 113 HA GLN 16 HA GLN 16 -3.540 8.792 -9.995 114 1HB GLN 16 1HB GLN 16 -1.767 6.332 -9.693 115 2HB GLN 16 2HB GLN 16 -3.468 6.354 -10.114 116 1HG GLN 16 1HG GLN 16 -1.696 7.997 -11.876 117 2HG GLN 16 2HG GLN 16 -1.434 6.266 -11.957 118 1HE2 GLN 16 2HE2 GLN 16 -4.815 5.505 -13.035 119 2HE2 GLN 16 1HE2 GLN 16 -3.623 4.996 -11.885 120 HA PRO 17 HA PRO 17 -3.244 8.921 -5.575 121 1HB PRO 17 1HB PRO 17 -5.724 9.979 -5.128 122 2HB PRO 17 2HB PRO 17 -4.298 10.960 -5.399 123 1HG PRO 17 1HG PRO 17 -6.534 10.390 -7.247 124 2HG PRO 17 2HG PRO 17 -5.343 11.674 -7.327 125 1HD PRO 17 1HD PRO 17 -5.392 9.277 -8.903 126 2HD PRO 17 2HD PRO 17 -4.141 10.504 -8.900 127 H VAL 18 H VAL 18 -4.265 7.885 -3.720 128 HA VAL 18 HA VAL 18 -6.206 5.876 -4.554 129 HB VAL 18 HB VAL 18 -3.520 5.324 -3.287 130 1HG1 VAL 18 3HG1 VAL 18 -6.075 3.798 -3.155 131 2HG1 VAL 18 1HG1 VAL 18 -4.594 2.866 -3.482 132 3HG1 VAL 18 2HG1 VAL 18 -4.713 3.862 -2.011 133 1HG2 VAL 18 2HG2 VAL 18 -4.682 4.981 -5.960 134 2HG2 VAL 18 3HG2 VAL 18 -2.980 4.974 -5.438 135 3HG2 VAL 18 1HG2 VAL 18 -3.957 3.491 -5.310 136 H VAL 19 H VAL 19 -7.528 5.111 -2.807 137 HA VAL 19 HA VAL 19 -7.271 6.784 -0.404 138 HB VAL 19 HB VAL 19 -9.680 5.761 -1.903 139 1HG1 VAL 19 2HG1 VAL 19 -9.405 6.131 0.938 140 2HG1 VAL 19 3HG1 VAL 19 -10.512 7.362 0.284 141 3HG1 VAL 19 1HG1 VAL 19 -10.834 5.635 0.000 142 1HG2 VAL 19 1HG2 VAL 19 -8.245 8.158 -2.047 143 2HG2 VAL 19 2HG2 VAL 19 -9.872 7.843 -2.696 144 3HG2 VAL 19 3HG2 VAL 19 -9.683 8.550 -1.074 145 H PHE 20 H PHE 20 -6.637 5.671 1.362 146 HA PHE 20 HA PHE 20 -7.187 2.786 1.383 147 1HB PHE 20 1HB PHE 20 -4.797 3.677 1.483 148 2HB PHE 20 2HB PHE 20 -5.225 4.625 2.893 149 HD1 PHE 20 HD2 PHE 20 -5.101 1.084 1.683 150 HD2 PHE 20 HD1 PHE 20 -4.919 3.733 5.037 151 HE1 PHE 20 HE2 PHE 20 -4.462 -0.860 3.193 152 HE2 PHE 20 HE1 PHE 20 -4.280 1.781 6.535 153 HZ PHE 20 HZ PHE 20 -4.051 -0.525 5.490 154 H ASN 21 H ASN 21 -7.637 1.811 3.562 155 HA ASN 21 HA ASN 21 -8.884 3.723 5.351 156 1HB ASN 21 1HB ASN 21 -10.168 1.195 4.203 157 2HB ASN 21 2HB ASN 21 -10.785 1.986 5.640 158 1HD2 ASN 21 2HD2 ASN 21 -12.008 4.900 4.007 159 2HD2 ASN 21 1HD2 ASN 21 -11.318 4.291 5.474 160 H HIS 22 H HIS 22 -8.733 3.049 7.583 161 HA HIS 22 HA HIS 22 -6.981 0.762 7.978 162 1HB HIS 22 1HB HIS 22 -7.628 3.238 9.545 163 2HB HIS 22 2HB HIS 22 -7.010 1.832 10.389 164 HD1 HIS 22 HD1 HIS 22 -6.003 4.531 7.981 165 HD2 HIS 22 HD2 HIS 22 -4.303 1.162 9.813 166 HE1 HIS 22 HE1 HIS 22 -3.487 4.700 7.593 167 H SER 23 H SER 23 -10.299 1.745 8.213 168 HA SER 23 HA SER 23 -10.932 -0.036 10.336 169 1HB SER 23 1HB SER 23 -12.411 1.850 8.543 170 2HB SER 23 2HB SER 23 -13.346 0.520 9.195 171 HG SER 23 HG SER 23 -13.403 2.385 10.596 172 H THR 24 H THR 24 -9.936 -0.557 7.210 173 HA THR 24 HA THR 24 -11.759 -2.829 6.800 174 HB THR 24 HB THR 24 -9.983 -1.201 4.909 175 HG1 THR 24 HG1 THR 24 -12.043 -0.265 5.564 176 1HG2 THR 24 2HG2 THR 24 -10.178 -3.655 4.231 177 2HG2 THR 24 3HG2 THR 24 -11.947 -3.458 4.257 178 3HG2 THR 24 1HG2 THR 24 -10.965 -2.531 3.097 179 H HIS 25 H HIS 25 -8.342 -1.827 7.138 180 HA HIS 25 HA HIS 25 -7.577 -4.626 6.918 181 1HB HIS 25 1HB HIS 25 -5.879 -2.121 7.099 182 2HB HIS 25 2HB HIS 25 -5.270 -3.749 6.882 183 HD1 HIS 25 HD1 HIS 25 -7.444 -1.183 5.069 184 HD2 HIS 25 HD2 HIS 25 -5.158 -4.608 4.263 185 HE1 HIS 25 HE1 HIS 25 -7.362 -1.407 2.528 186 H LYS 26 H LYS 26 -9.215 -3.740 9.166 187 HA LYS 26 HA LYS 26 -7.600 -3.229 11.411 188 1HB LYS 26 1HB LYS 26 -10.367 -4.464 11.298 189 2HB LYS 26 2HB LYS 26 -9.615 -3.714 12.691 190 1HG LYS 26 1HG LYS 26 -9.485 -1.543 11.460 191 2HG LYS 26 2HG LYS 26 -10.219 -2.290 10.056 192 1HD LYS 26 1HD LYS 26 -12.159 -1.476 10.994 193 2HD LYS 26 2HD LYS 26 -12.092 -2.976 11.898 194 1HE LYS 26 1HE LYS 26 -10.443 -1.260 13.389 195 2HE LYS 26 2HE LYS 26 -11.730 -0.202 12.845 196 1HZ LYS 26 1HZ LYS 26 -13.334 -1.860 13.725 197 2HZ LYS 26 2HZ LYS 26 -12.108 -2.762 14.303 198 H SER 27 H SER 27 -8.745 -6.214 9.786 199 HA SER 27 HA SER 27 -7.836 -7.889 11.859 200 1HB SER 27 1HB SER 27 -9.258 -8.146 9.363 201 2HB SER 27 2HB SER 27 -7.933 -9.294 9.347 202 HG SER 27 HG SER 27 -8.880 -9.600 11.762 203 H VAL 28 H VAL 28 -6.244 -6.023 9.476 204 HA VAL 28 HA VAL 28 -4.048 -7.889 9.138 205 HB VAL 28 HB VAL 28 -4.392 -5.066 8.114 206 1HG1 VAL 28 2HG1 VAL 28 -2.474 -7.313 7.484 207 2HG1 VAL 28 3HG1 VAL 28 -2.811 -6.016 6.311 208 3HG1 VAL 28 1HG1 VAL 28 -2.121 -5.619 7.904 209 1HG2 VAL 28 2HG2 VAL 28 -5.888 -7.382 7.428 210 2HG2 VAL 28 3HG2 VAL 28 -5.890 -5.790 6.631 211 3HG2 VAL 28 1HG2 VAL 28 -4.770 -7.060 6.081 212 H LYS 29 H LYS 29 -1.995 -7.645 10.044 213 HA LYS 29 HA LYS 29 -1.926 -6.200 12.486 214 1HB LYS 29 1HB LYS 29 -0.438 -8.287 11.187 215 2HB LYS 29 2HB LYS 29 0.680 -7.052 11.731 216 1HG LYS 29 1HG LYS 29 -0.613 -7.112 13.990 217 2HG LYS 29 2HG LYS 29 -1.352 -8.587 13.400 218 1HD LYS 29 1HD LYS 29 0.640 -9.801 13.494 219 2HD LYS 29 2HD LYS 29 1.643 -8.394 13.201 220 1HE LYS 29 1HE LYS 29 2.084 -8.533 15.448 221 2HE LYS 29 2HE LYS 29 0.557 -7.690 15.618 222 1HZ LYS 29 1HZ LYS 29 0.259 -9.555 16.950 223 2HZ LYS 29 2HZ LYS 29 -0.418 -10.090 15.569 224 H CYS 30 H CYS 30 -0.878 -4.282 13.019 225 HA CYS 30 HA CYS 30 -0.673 -2.387 10.998 226 1HB CYS 30 1HB CYS 30 0.727 -2.140 13.649 227 2HB CYS 30 2HB CYS 30 0.027 -0.878 12.656 228 H GLY 31 H GLY 31 1.614 -4.697 12.455 229 1HA GLY 31 1HA GLY 31 3.980 -3.463 11.404 230 2HA GLY 31 2HA GLY 31 3.832 -5.045 12.142 231 H ASP 32 H ASP 32 1.379 -5.053 9.912 232 HA ASP 32 HA ASP 32 2.898 -6.673 8.155 233 1HB ASP 32 1HB ASP 32 0.451 -7.010 8.833 234 2HB ASP 32 2HB ASP 32 0.045 -5.642 7.817 235 H CYS 33 H CYS 33 1.481 -3.380 8.231 236 HA CYS 33 HA CYS 33 2.394 -2.947 5.490 237 1HB CYS 33 1HB CYS 33 0.224 -1.750 7.158 238 2HB CYS 33 2HB CYS 33 1.026 -0.697 6.010 239 H HIS 34 H HIS 34 2.275 -1.396 8.784 240 HA HIS 34 HA HIS 34 4.358 0.420 8.085 241 1HB HIS 34 1HB HIS 34 3.059 -0.219 10.749 242 2HB HIS 34 2HB HIS 34 4.185 1.095 10.470 243 HD1 HIS 34 HD1 HIS 34 3.342 3.093 8.914 244 HD2 HIS 34 HD2 HIS 34 0.425 0.267 9.964 245 HE1 HIS 34 HE1 HIS 34 1.088 4.161 8.381 246 H HIS 35 H HIS 35 5.540 -1.804 7.356 247 HA HIS 35 HA HIS 35 6.646 -3.527 9.092 248 1HB HIS 35 1HB HIS 35 8.462 -3.796 7.503 249 2HB HIS 35 2HB HIS 35 6.929 -3.626 6.672 250 HD1 HIS 35 HD1 HIS 35 9.953 -1.468 7.610 251 HD2 HIS 35 HD2 HIS 35 6.913 -1.689 4.728 252 HE1 HIS 35 HE1 HIS 35 10.472 0.338 5.883 253 HA PRO 36 HA PRO 36 9.280 -1.281 11.685 254 1HB PRO 36 1HB PRO 36 10.998 -3.233 12.525 255 2HB PRO 36 2HB PRO 36 9.394 -3.015 13.195 256 1HG PRO 36 1HG PRO 36 10.352 -5.088 11.317 257 2HG PRO 36 2HG PRO 36 8.911 -5.092 12.314 258 1HD PRO 36 1HD PRO 36 9.045 -4.591 9.493 259 2HD PRO 36 2HD PRO 36 7.623 -4.481 10.511 260 H VAL 37 H VAL 37 10.926 0.145 11.564 261 HA VAL 37 HA VAL 37 13.049 -0.653 9.704 262 HB VAL 37 HB VAL 37 11.620 2.011 9.829 263 1HG1 VAL 37 1HG1 VAL 37 14.289 1.421 9.052 264 2HG1 VAL 37 2HG1 VAL 37 13.366 1.738 7.565 265 3HG1 VAL 37 3HG1 VAL 37 13.398 2.950 8.868 266 1HG2 VAL 37 3HG2 VAL 37 10.406 0.133 8.674 267 2HG2 VAL 37 1HG2 VAL 37 10.791 1.524 7.631 268 3HG2 VAL 37 2HG2 VAL 37 11.766 0.038 7.529 269 H ASN 38 H ASN 38 14.837 -0.873 10.949 270 HA ASN 38 HA ASN 38 16.550 -0.066 12.105 271 1HB ASN 38 1HB ASN 38 15.300 2.312 11.834 272 2HB ASN 38 2HB ASN 38 14.933 2.062 13.529 273 1HD2 ASN 38 2HD2 ASN 38 17.989 3.949 13.706 274 2HD2 ASN 38 1HD2 ASN 38 16.286 4.114 13.439 275 H GLY 39 H GLY 39 13.345 -0.823 13.149 276 1HA GLY 39 1HA GLY 39 13.108 -2.512 14.834 277 2HA GLY 39 2HA GLY 39 14.364 -1.727 15.771 278 H LYS 40 H LYS 40 12.598 0.762 14.357 279 HA LYS 40 HA LYS 40 10.998 1.036 16.796 280 1HB LYS 40 1HB LYS 40 11.075 3.407 16.427 281 2HB LYS 40 2HB LYS 40 12.707 2.776 16.341 282 1HG LYS 40 1HG LYS 40 12.125 2.577 13.722 283 2HG LYS 40 2HG LYS 40 10.955 3.821 14.117 284 1HD LYS 40 1HD LYS 40 13.236 4.746 15.418 285 2HD LYS 40 2HD LYS 40 13.916 3.988 13.992 286 1HE LYS 40 1HE LYS 40 11.504 5.716 13.544 287 2HE LYS 40 2HE LYS 40 12.971 6.549 14.017 288 1HZ LYS 40 1HZ LYS 40 12.921 6.338 11.628 289 2HZ LYS 40 2HZ LYS 40 14.111 5.363 12.163 290 H GLU 41 H GLU 41 9.054 0.041 16.433 291 HA GLU 41 HA GLU 41 7.857 0.327 13.839 292 1HB GLU 41 1HB GLU 41 7.778 -1.619 15.890 293 2HB GLU 41 2HB GLU 41 6.167 -0.931 15.870 294 1HG GLU 41 1HG GLU 41 6.096 -1.289 13.361 295 2HG GLU 41 2HG GLU 41 7.656 -2.081 13.463 296 H ASP 42 H ASP 42 6.869 2.263 13.415 297 HA ASP 42 HA ASP 42 5.025 3.195 15.460 298 1HB ASP 42 1HB ASP 42 7.386 4.492 14.965 299 2HB ASP 42 2HB ASP 42 6.379 5.252 13.749 300 H TYR 43 H TYR 43 3.681 5.180 14.220 301 HA TYR 43 HA TYR 43 2.870 4.004 11.652 302 1HB TYR 43 1HB TYR 43 1.416 5.949 13.541 303 2HB TYR 43 2HB TYR 43 0.680 5.016 12.252 304 HD1 TYR 43 HD1 TYR 43 2.101 2.355 12.878 305 HD2 TYR 43 HD2 TYR 43 0.062 5.189 15.352 306 HE1 TYR 43 HE1 TYR 43 1.539 0.513 14.538 307 HE2 TYR 43 HE2 TYR 43 -0.493 3.338 17.003 308 HH TYR 43 HH TYR 43 0.410 -0.022 16.315 309 H ARG 44 H ARG 44 3.203 5.156 9.814 310 HA ARG 44 HA ARG 44 3.086 7.994 9.935 311 1HB ARG 44 1HB ARG 44 5.348 8.396 9.018 312 2HB ARG 44 2HB ARG 44 5.468 7.577 10.562 313 1HG ARG 44 1HG ARG 44 5.252 5.661 8.338 314 2HG ARG 44 2HG ARG 44 6.617 6.740 8.127 315 1HD ARG 44 1HD ARG 44 6.078 5.264 10.745 316 2HD ARG 44 2HD ARG 44 7.079 4.596 9.471 317 HE ARG 44 HE ARG 44 8.698 6.354 9.826 318 1HH1 ARG 44 2HH2 ARG 44 5.977 6.509 12.090 319 2HH1 ARG 44 1HH2 ARG 44 6.803 7.545 13.205 320 HH2 ARG 44 HH1 ARG 44 9.043 8.245 12.719 321 H LYS 45 H LYS 45 3.831 8.813 7.500 322 HA LYS 45 HA LYS 45 2.168 7.236 5.746 323 1HB LYS 45 1HB LYS 45 3.563 9.896 5.319 324 2HB LYS 45 2HB LYS 45 2.415 9.157 4.221 325 1HG LYS 45 1HG LYS 45 0.977 10.535 5.427 326 2HG LYS 45 2HG LYS 45 0.850 9.068 6.378 327 1HD LYS 45 1HD LYS 45 2.020 9.952 8.166 328 2HD LYS 45 2HD LYS 45 3.101 10.878 7.144 329 1HE LYS 45 1HE LYS 45 0.691 12.148 6.651 330 2HE LYS 45 2HE LYS 45 0.477 11.658 8.320 331 1HZ LYS 45 1HZ LYS 45 1.566 13.809 8.222 332 2HZ LYS 45 2HZ LYS 45 2.634 12.736 8.821 333 H CYS 46 H CYS 46 2.856 5.894 4.137 334 HA CYS 46 HA CYS 46 5.454 4.968 4.157 335 1HB CYS 46 1HB CYS 46 3.724 4.766 1.712 336 2HB CYS 46 2HB CYS 46 4.861 3.602 2.363 337 H GLY 47 H GLY 47 3.759 7.351 2.018 338 1HA GLY 47 1HA GLY 47 6.090 7.858 0.419 339 2HA GLY 47 2HA GLY 47 4.559 8.710 0.388 340 H THR 48 H THR 48 7.042 8.136 2.987 341 HA THR 48 HA THR 48 6.877 10.983 3.633 342 HB THR 48 HB THR 48 7.651 8.423 5.042 343 HG1 THR 48 HG1 THR 48 6.358 10.942 5.802 344 1HG2 THR 48 3HG2 THR 48 8.993 11.059 5.390 345 2HG2 THR 48 1HG2 THR 48 8.236 10.430 6.873 346 3HG2 THR 48 2HG2 THR 48 9.463 9.462 6.020 347 H ALA 49 H ALA 49 8.460 12.435 3.262 348 HA ALA 49 HA ALA 49 10.424 11.892 1.402 349 1HB ALA 49 3HB ALA 49 9.566 14.085 3.124 350 2HB ALA 49 1HB ALA 49 11.337 14.057 2.944 351 3HB ALA 49 2HB ALA 49 10.297 14.137 1.502 352 H GLY 50 H GLY 50 11.950 10.317 1.646 353 1HA GLY 50 1HA GLY 50 14.194 10.095 2.616 354 2HA GLY 50 2HA GLY 50 13.460 10.319 4.192 355 H CYS 51 H CYS 51 11.044 8.693 2.763 356 HA CYS 51 HA CYS 51 12.190 6.111 3.523 357 1HB CYS 51 1HB CYS 51 9.330 7.115 3.596 358 2HB CYS 51 2HB CYS 51 9.763 5.431 3.816 359 H HIS 52 H HIS 52 9.140 6.616 1.737 360 HA HIS 52 HA HIS 52 10.394 5.293 -0.550 361 1HB HIS 52 1HB HIS 52 7.529 5.357 0.424 362 2HB HIS 52 2HB HIS 52 7.994 4.724 -1.143 363 HD1 HIS 52 HD1 HIS 52 9.929 2.706 -0.970 364 HD2 HIS 52 HD2 HIS 52 7.572 3.481 2.411 365 HE1 HIS 52 HE1 HIS 52 10.101 0.636 0.511 366 H ASP 53 H ASP 53 11.271 7.616 -0.908 367 HA ASP 53 HA ASP 53 9.255 9.020 -2.476 368 1HB ASP 53 1HB ASP 53 10.215 10.077 -0.216 369 2HB ASP 53 2HB ASP 53 11.600 10.462 -1.218 370 H SER 54 H SER 54 10.230 7.571 -4.228 371 HA SER 54 HA SER 54 12.924 8.381 -4.946 372 1HB SER 54 1HB SER 54 12.788 6.412 -6.536 373 2HB SER 54 2HB SER 54 12.683 5.988 -4.839 374 HG SER 54 HG SER 54 10.341 6.411 -6.481 375 H MET 55 H MET 55 9.510 8.361 -5.988 376 HA MET 55 HA MET 55 8.460 9.245 -7.680 377 1HB MET 55 1HB MET 55 10.556 11.184 -6.869 378 2HB MET 55 2HB MET 55 10.029 11.443 -8.520 379 1HG MET 55 1HG MET 55 8.397 12.698 -7.461 380 2HG MET 55 2HG MET 55 7.587 11.146 -7.396 381 1HE MET 55 3HE MET 55 7.795 9.505 -5.628 382 2HE MET 55 1HE MET 55 7.826 9.923 -3.899 383 3HE MET 55 2HE MET 55 6.493 10.497 -4.929 384 H ASP 56 H ASP 56 10.349 7.129 -8.365 385 HA ASP 56 HA ASP 56 11.344 8.053 -10.929 386 1HB ASP 56 1HB ASP 56 12.574 6.535 -9.027 387 2HB ASP 56 2HB ASP 56 11.824 5.252 -9.956 388 H LYS 57 H LYS 57 9.359 5.510 -9.277 389 HA LYS 57 HA LYS 57 7.674 4.260 -9.968 390 1HB LYS 57 1HB LYS 57 6.684 6.285 -10.857 391 2HB LYS 57 2HB LYS 57 7.630 6.163 -12.326 392 1HG LYS 57 1HG LYS 57 6.347 3.645 -12.084 393 2HG LYS 57 2HG LYS 57 5.125 4.814 -11.625 394 1HD LYS 57 1HD LYS 57 6.809 5.148 -14.143 395 2HD LYS 57 2HD LYS 57 5.312 4.236 -14.144 396 1HE LYS 57 1HE LYS 57 4.344 6.261 -14.611 397 2HE LYS 57 2HE LYS 57 4.468 6.524 -12.883 398 1HZ LYS 57 1HZ LYS 57 6.397 7.814 -13.168 399 2HZ LYS 57 2HZ LYS 57 6.718 7.245 -14.660 400 H LYS 58 H LYS 58 9.409 5.023 -13.073 401 HA LYS 58 HA LYS 58 9.324 2.307 -13.868 402 1HB LYS 58 1HB LYS 58 9.403 4.438 -15.314 403 2HB LYS 58 2HB LYS 58 11.129 4.439 -15.017 404 1HG LYS 58 1HG LYS 58 10.580 1.766 -15.713 405 2HG LYS 58 2HG LYS 58 9.538 2.691 -16.777 406 1HD LYS 58 1HD LYS 58 12.290 3.794 -16.528 407 2HD LYS 58 2HD LYS 58 12.230 2.188 -17.228 408 1HE LYS 58 1HE LYS 58 10.296 4.290 -18.232 409 2HE LYS 58 2HE LYS 58 11.964 4.351 -18.767 410 1HZ LYS 58 1HZ LYS 58 10.907 2.964 -20.315 411 2HZ LYS 58 2HZ LYS 58 11.611 1.878 -19.327 412 H ASP 59 H ASP 59 10.201 1.678 -11.573 413 HA ASP 59 HA ASP 59 12.802 0.753 -12.014 414 1HB ASP 59 1HB ASP 59 12.450 3.248 -10.444 415 2HB ASP 59 2HB ASP 59 13.337 2.009 -9.579 416 H LYS 60 H LYS 60 13.565 -0.467 -9.890 417 HA LYS 60 HA LYS 60 11.446 -0.953 -7.994 418 1HB LYS 60 1HB LYS 60 12.294 -3.002 -10.037 419 2HB LYS 60 2HB LYS 60 11.703 -3.492 -8.462 420 1HG LYS 60 1HG LYS 60 9.645 -3.373 -9.466 421 2HG LYS 60 2HG LYS 60 9.778 -1.661 -9.115 422 1HD LYS 60 1HD LYS 60 11.076 -1.599 -11.453 423 2HD LYS 60 2HD LYS 60 10.213 -3.097 -11.739 424 1HE LYS 60 1HE LYS 60 8.075 -2.046 -11.587 425 2HE LYS 60 2HE LYS 60 8.716 -0.649 -10.745 426 1HZ LYS 60 1HZ LYS 60 10.087 -0.497 -13.025 427 2HZ LYS 60 2HZ LYS 60 8.744 -1.217 -13.599 428 H SER 61 H SER 61 12.262 -1.540 -5.998 429 HA SER 61 HA SER 61 14.615 -2.876 -5.604 430 1HB SER 61 1HB SER 61 15.117 -0.187 -6.396 431 2HB SER 61 2HB SER 61 15.416 -0.235 -4.670 432 HG SER 61 HG SER 61 17.346 -0.800 -5.739 433 H ALA 62 H ALA 62 13.157 0.178 -4.242 434 HA ALA 62 HA ALA 62 11.723 -1.077 -2.230 435 1HB ALA 62 3HB ALA 62 14.340 -1.447 -1.661 436 2HB ALA 62 1HB ALA 62 14.106 0.153 -0.918 437 3HB ALA 62 2HB ALA 62 13.099 -1.222 -0.405 438 H LYS 63 H LYS 63 13.857 1.741 -3.010 439 HA LYS 63 HA LYS 63 12.299 3.599 -1.588 440 1HB LYS 63 1HB LYS 63 14.439 3.768 -3.696 441 2HB LYS 63 2HB LYS 63 13.564 5.208 -3.219 442 1HG LYS 63 1HG LYS 63 14.190 3.985 -0.765 443 2HG LYS 63 2HG LYS 63 15.616 3.692 -1.741 444 1HD LYS 63 1HD LYS 63 14.562 6.453 -2.004 445 2HD LYS 63 2HD LYS 63 15.055 6.052 -0.371 446 1HE LYS 63 1HE LYS 63 17.300 5.728 -0.970 447 2HE LYS 63 2HE LYS 63 16.911 5.278 -2.618 448 1HZ LYS 63 1HZ LYS 63 16.066 7.934 -2.181 449 2HZ LYS 63 2HZ LYS 63 17.616 7.814 -1.696 450 H GLY 64 H GLY 64 11.729 1.830 -4.487 451 1HA GLY 64 1HA GLY 64 10.236 3.752 -5.941 452 2HA GLY 64 2HA GLY 64 10.207 2.011 -6.138 453 H TYR 65 H TYR 65 8.731 4.805 -4.525 454 HA TYR 65 HA TYR 65 7.082 3.605 -2.703 455 1HB TYR 65 1HB TYR 65 7.317 6.052 -3.056 456 2HB TYR 65 2HB TYR 65 6.753 5.914 -4.709 457 HD1 TYR 65 HD1 TYR 65 5.581 5.256 -1.205 458 HD2 TYR 65 HD2 TYR 65 4.532 6.425 -5.185 459 HE1 TYR 65 HE1 TYR 65 3.206 5.746 -0.443 460 HE2 TYR 65 HE2 TYR 65 2.160 6.911 -4.409 461 HH TYR 65 HH TYR 65 1.285 7.511 -1.561 462 H TYR 66 H TYR 66 6.687 3.881 -6.271 463 HA TYR 66 HA TYR 66 4.051 2.743 -6.182 464 1HB TYR 66 1HB TYR 66 4.555 4.285 -7.977 465 2HB TYR 66 2HB TYR 66 6.164 3.629 -8.200 466 HD1 TYR 66 HD1 TYR 66 6.396 1.311 -9.268 467 HD2 TYR 66 HD2 TYR 66 2.741 3.535 -9.299 468 HE1 TYR 66 HE1 TYR 66 5.543 -0.104 -11.201 469 HE2 TYR 66 HE2 TYR 66 1.901 2.113 -11.232 470 HH TYR 66 HH TYR 66 2.329 -0.164 -12.108 471 H HIS 67 H HIS 67 7.069 1.431 -5.626 472 HA HIS 67 HA HIS 67 6.470 -1.018 -7.091 473 1HB HIS 67 1HB HIS 67 8.645 -0.703 -7.578 474 2HB HIS 67 2HB HIS 67 8.921 0.344 -6.200 475 HD1 HIS 67 HD1 HIS 67 9.420 -3.114 -7.396 476 HD2 HIS 67 HD2 HIS 67 9.448 -1.107 -3.713 477 HE1 HIS 67 HE1 HIS 67 10.583 -4.671 -5.742 478 H VAL 68 H VAL 68 6.127 0.478 -4.020 479 HA VAL 68 HA VAL 68 6.087 -2.127 -2.677 480 HB VAL 68 HB VAL 68 5.890 -0.539 -0.635 481 1HG1 VAL 68 3HG1 VAL 68 7.878 -1.973 -1.469 482 2HG1 VAL 68 1HG1 VAL 68 8.551 -0.433 -2.055 483 3HG1 VAL 68 2HG1 VAL 68 8.207 -0.652 -0.322 484 1HG2 VAL 68 3HG2 VAL 68 5.469 1.499 -2.020 485 2HG2 VAL 68 1HG2 VAL 68 6.838 1.664 -0.896 486 3HG2 VAL 68 2HG2 VAL 68 7.138 1.381 -2.627 487 H MET 69 H MET 69 4.073 -0.464 -4.558 488 HA MET 69 HA MET 69 1.818 -0.873 -2.748 489 1HB MET 69 1HB MET 69 2.082 1.044 -5.133 490 2HB MET 69 2HB MET 69 0.652 0.887 -4.131 491 1HG MET 69 1HG MET 69 3.355 1.585 -2.914 492 2HG MET 69 2HG MET 69 2.318 2.826 -3.588 493 1HE MET 69 3HE MET 69 3.466 1.367 -0.642 494 2HE MET 69 1HE MET 69 3.035 3.088 -0.494 495 3HE MET 69 2HE MET 69 2.264 1.882 0.565 496 H HIS 70 H HIS 70 3.470 -2.024 -5.479 497 HA HIS 70 HA HIS 70 1.086 -3.490 -6.285 498 1HB HIS 70 1HB HIS 70 3.003 -2.376 -8.335 499 2HB HIS 70 2HB HIS 70 1.449 -3.138 -8.604 500 HD1 HIS 70 HD1 HIS 70 2.909 0.068 -7.128 501 HD2 HIS 70 HD2 HIS 70 -0.696 -1.405 -8.687 502 HE1 HIS 70 HE1 HIS 70 1.338 2.071 -7.312 503 H ASP 71 H ASP 71 4.628 -3.142 -7.059 504 HA ASP 71 HA ASP 71 5.235 -5.558 -7.839 505 1HB ASP 71 1HB ASP 71 6.680 -3.443 -6.897 506 2HB ASP 71 2HB ASP 71 6.970 -4.577 -5.593 507 H LYS 72 H LYS 72 5.094 -7.672 -7.033 508 HA LYS 72 HA LYS 72 4.271 -7.946 -4.248 509 1HB LYS 72 1HB LYS 72 4.253 -10.096 -6.371 510 2HB LYS 72 2HB LYS 72 3.363 -10.052 -4.862 511 1HG LYS 72 1HG LYS 72 1.635 -9.074 -5.954 512 2HG LYS 72 2HG LYS 72 2.638 -7.660 -6.214 513 1HD LYS 72 1HD LYS 72 1.854 -8.408 -8.386 514 2HD LYS 72 2HD LYS 72 3.570 -8.753 -8.297 515 1HE LYS 72 1HE LYS 72 2.457 -11.083 -7.248 516 2HE LYS 72 2HE LYS 72 1.277 -10.630 -8.462 517 1HZ LYS 72 1HZ LYS 72 3.118 -12.014 -9.351 518 2HZ LYS 72 2HZ LYS 72 3.022 -10.581 -10.119 519 H ASN 73 H ASN 73 6.916 -8.584 -6.510 520 HA ASN 73 HA ASN 73 8.168 -10.484 -4.843 521 1HB ASN 73 1HB ASN 73 8.811 -8.986 -7.362 522 2HB ASN 73 2HB ASN 73 10.201 -9.501 -6.428 523 1HD2 ASN 73 2HD2 ASN 73 9.818 -12.337 -8.557 524 2HD2 ASN 73 1HD2 ASN 73 10.511 -10.754 -8.444 525 H THR 74 H THR 74 7.809 -8.882 -2.872 526 HA THR 74 HA THR 74 10.221 -7.214 -2.640 527 HB THR 74 HB THR 74 8.759 -5.610 -1.329 528 HG1 THR 74 HG1 THR 74 7.081 -7.155 -0.808 529 1HG2 THR 74 2HG2 THR 74 8.609 -6.102 -4.214 530 2HG2 THR 74 3HG2 THR 74 7.051 -5.495 -3.602 531 3HG2 THR 74 1HG2 THR 74 8.538 -4.551 -3.344 532 H LYS 75 H LYS 75 10.976 -6.899 -0.411 533 HA LYS 75 HA LYS 75 11.037 -9.367 0.929 534 1HB LYS 75 1HB LYS 75 12.926 -7.880 0.992 535 2HB LYS 75 2HB LYS 75 11.971 -6.591 1.697 536 1HG LYS 75 1HG LYS 75 11.888 -7.604 3.808 537 2HG LYS 75 2HG LYS 75 12.042 -9.225 3.159 538 1HD LYS 75 1HD LYS 75 14.213 -9.072 3.862 539 2HD LYS 75 2HD LYS 75 14.457 -8.160 2.386 540 1HE LYS 75 1HE LYS 75 14.618 -6.134 3.493 541 2HE LYS 75 2HE LYS 75 13.423 -6.571 4.698 542 1HZ LYS 75 1HZ LYS 75 15.074 -7.930 5.813 543 2HZ LYS 75 2HZ LYS 75 16.181 -7.675 4.646 544 H PHE 76 H PHE 76 8.866 -6.610 1.031 545 HA PHE 76 HA PHE 76 7.569 -7.820 3.381 546 1HB PHE 76 1HB PHE 76 7.759 -4.926 2.335 547 2HB PHE 76 2HB PHE 76 6.782 -5.387 3.714 548 HD1 PHE 76 HD2 PHE 76 8.132 -6.702 5.623 549 HD2 PHE 76 HD1 PHE 76 9.886 -4.081 2.732 550 HE1 PHE 76 HE2 PHE 76 10.131 -6.342 7.152 551 HE2 PHE 76 HE1 PHE 76 11.879 -3.729 4.271 552 HZ PHE 76 HZ PHE 76 11.919 -4.948 6.501 553 H LYS 77 H LYS 77 5.209 -7.694 3.429 554 HA LYS 77 HA LYS 77 4.074 -8.355 0.959 555 1HB LYS 77 1HB LYS 77 3.158 -7.999 3.758 556 2HB LYS 77 2HB LYS 77 1.924 -7.817 2.528 557 1HG LYS 77 1HG LYS 77 2.531 -10.024 1.557 558 2HG LYS 77 2HG LYS 77 3.825 -10.202 2.725 559 1HD LYS 77 1HD LYS 77 1.458 -9.602 4.225 560 2HD LYS 77 2HD LYS 77 0.999 -10.806 3.037 561 1HE LYS 77 1HE LYS 77 2.946 -12.232 3.760 562 2HE LYS 77 2HE LYS 77 3.349 -11.039 4.978 563 1HZ LYS 77 1HZ LYS 77 0.798 -11.448 5.582 564 2HZ LYS 77 2HZ LYS 77 1.114 -12.910 4.940 565 H SER 78 H SER 78 3.268 -7.136 -0.672 566 HA SER 78 HA SER 78 3.197 -4.284 -0.184 567 1HB SER 78 1HB SER 78 3.887 -4.050 -2.335 568 2HB SER 78 2HB SER 78 4.240 -5.765 -2.269 569 HG SER 78 HG SER 78 2.936 -5.488 -4.072 570 H CYS 79 H CYS 79 1.347 -3.023 -1.255 571 HA CYS 79 HA CYS 79 -1.046 -3.694 -0.234 572 1HB CYS 79 1HB CYS 79 -0.627 -2.197 -2.829 573 2HB CYS 79 2HB CYS 79 -2.057 -2.136 -1.818 574 H VAL 80 H VAL 80 -0.173 -4.076 -3.756 575 HA VAL 80 HA VAL 80 -2.366 -5.730 -4.312 576 HB VAL 80 HB VAL 80 0.269 -5.264 -5.714 577 1HG1 VAL 80 3HG1 VAL 80 -2.046 -7.024 -6.409 578 2HG1 VAL 80 1HG1 VAL 80 -1.275 -6.098 -7.719 579 3HG1 VAL 80 2HG1 VAL 80 -0.309 -7.229 -6.740 580 1HG2 VAL 80 2HG2 VAL 80 -1.519 -3.392 -5.346 581 2HG2 VAL 80 3HG2 VAL 80 -0.792 -3.613 -6.956 582 3HG2 VAL 80 1HG2 VAL 80 -2.418 -4.254 -6.619 583 H GLY 81 H GLY 81 1.122 -6.441 -3.630 584 1HA GLY 81 1HA GLY 81 1.299 -9.089 -3.994 585 2HA GLY 81 2HA GLY 81 2.021 -8.266 -2.626 586 H CYS 82 H CYS 82 0.097 -7.610 -0.888 587 HA CYS 82 HA CYS 82 -0.652 -10.058 0.207 588 1HB CYS 82 1HB CYS 82 -0.248 -7.967 1.502 589 2HB CYS 82 2HB CYS 82 -1.742 -7.302 0.871 590 H HIS 83 H HIS 83 -2.475 -7.475 -1.573 591 HA HIS 83 HA HIS 83 -4.983 -8.542 -1.384 592 1HB HIS 83 1HB HIS 83 -3.600 -6.861 -3.461 593 2HB HIS 83 2HB HIS 83 -5.248 -7.398 -3.721 594 HD1 HIS 83 HD1 HIS 83 -6.080 -4.911 -3.574 595 HD2 HIS 83 HD2 HIS 83 -4.300 -6.372 -0.068 596 HE1 HIS 83 HE1 HIS 83 -6.662 -3.247 -1.729 597 H VAL 84 H VAL 84 -2.338 -9.320 -3.711 598 HA VAL 84 HA VAL 84 -3.780 -10.986 -5.376 599 HB VAL 84 HB VAL 84 -0.887 -10.959 -4.516 600 1HG1 VAL 84 2HG1 VAL 84 -2.251 -13.057 -5.873 601 2HG1 VAL 84 3HG1 VAL 84 -1.241 -12.213 -7.070 602 3HG1 VAL 84 1HG1 VAL 84 -0.503 -12.873 -5.591 603 1HG2 VAL 84 3HG2 VAL 84 -1.895 -8.989 -5.773 604 2HG2 VAL 84 1HG2 VAL 84 -0.471 -9.754 -6.519 605 3HG2 VAL 84 2HG2 VAL 84 -2.099 -10.094 -7.153 606 H GLU 85 H GLU 85 -2.251 -11.590 -2.182 607 HA GLU 85 HA GLU 85 -2.759 -14.369 -2.316 608 1HB GLU 85 1HB GLU 85 -1.559 -12.449 -0.408 609 2HB GLU 85 2HB GLU 85 -2.398 -13.772 0.377 610 1HG GLU 85 1HG GLU 85 -0.863 -14.837 -1.842 611 2HG GLU 85 2HG GLU 85 0.184 -13.816 -0.877 612 H VAL 86 H VAL 86 -4.458 -11.478 -1.099 613 HA VAL 86 HA VAL 86 -6.366 -12.935 0.421 614 HB VAL 86 HB VAL 86 -6.337 -10.119 -0.680 615 1HG1 VAL 86 1HG1 VAL 86 -8.631 -11.066 -0.137 616 2HG1 VAL 86 2HG1 VAL 86 -8.088 -11.178 1.555 617 3HG1 VAL 86 3HG1 VAL 86 -8.165 -9.593 0.748 618 1HG2 VAL 86 2HG2 VAL 86 -4.629 -11.116 1.147 619 2HG2 VAL 86 3HG2 VAL 86 -5.238 -9.444 1.196 620 3HG2 VAL 86 1HG2 VAL 86 -5.985 -10.693 2.220 621 H ALA 87 H ALA 87 -6.391 -11.325 -2.833 622 HA ALA 87 HA ALA 87 -9.005 -12.143 -3.452 623 1HB ALA 87 2HB ALA 87 -6.776 -10.732 -4.683 624 2HB ALA 87 3HB ALA 87 -7.564 -11.820 -5.851 625 3HB ALA 87 1HB ALA 87 -8.522 -10.585 -5.000 626 H GLY 88 H GLY 88 -5.868 -13.755 -3.490 627 1HA GLY 88 1HA GLY 88 -5.198 -15.744 -4.365 628 2HA GLY 88 2HA GLY 88 -6.647 -16.301 -3.552 629 H ALA 89 H ALA 89 -7.964 -17.526 -4.818 630 HA ALA 89 HA ALA 89 -7.788 -17.158 -7.704 631 1HB ALA 89 3HB ALA 89 -8.448 -19.358 -5.816 632 2HB ALA 89 1HB ALA 89 -9.406 -19.318 -7.316 633 3HB ALA 89 2HB ALA 89 -7.630 -19.412 -7.395 634 H ASP 90 H ASP 90 -8.921 -14.979 -7.327 635 HA ASP 90 HA ASP 90 -11.717 -15.464 -7.747 636 1HB ASP 90 1HB ASP 90 -11.365 -15.043 -5.242 637 2HB ASP 90 2HB ASP 90 -10.790 -13.441 -5.658 638 H ALA 91 H ALA 91 -11.484 -14.591 -9.873 639 HA ALA 91 HA ALA 91 -9.866 -12.524 -10.637 640 1HB ALA 91 1HB ALA 91 -12.122 -14.032 -11.680 641 2HB ALA 91 2HB ALA 91 -12.209 -12.331 -12.197 642 3HB ALA 91 3HB ALA 91 -10.756 -13.296 -12.552 643 H ALA 92 H ALA 92 -13.374 -12.329 -9.692 644 HA ALA 92 HA ALA 92 -13.836 -9.710 -9.934 645 1HB ALA 92 3HB ALA 92 -14.740 -11.877 -8.143 646 2HB ALA 92 1HB ALA 92 -14.992 -10.243 -7.484 647 3HB ALA 92 2HB ALA 92 -15.688 -10.683 -9.062 648 H LYS 93 H LYS 93 -12.456 -11.176 -6.899 649 HA LYS 93 HA LYS 93 -11.815 -8.673 -5.798 650 1HB LYS 93 1HB LYS 93 -10.955 -11.506 -5.180 651 2HB LYS 93 2HB LYS 93 -10.375 -10.131 -4.262 652 1HG LYS 93 1HG LYS 93 -12.723 -9.476 -3.733 653 2HG LYS 93 2HG LYS 93 -13.322 -10.822 -4.681 654 1HD LYS 93 1HD LYS 93 -11.320 -11.468 -2.533 655 2HD LYS 93 2HD LYS 93 -12.917 -10.981 -2.001 656 1HE LYS 93 1HE LYS 93 -13.710 -12.743 -3.869 657 2HE LYS 93 2HE LYS 93 -12.110 -13.407 -3.606 658 1HZ LYS 93 1HZ LYS 93 -14.252 -13.078 -1.588 659 2HZ LYS 93 2HZ LYS 93 -13.520 -14.460 -2.042 660 H LYS 94 H LYS 94 -10.070 -10.982 -7.905 661 HA LYS 94 HA LYS 94 -7.549 -9.773 -7.629 662 1HB LYS 94 1HB LYS 94 -8.280 -12.095 -8.593 663 2HB LYS 94 2HB LYS 94 -8.435 -11.230 -10.109 664 1HG LYS 94 1HG LYS 94 -6.200 -11.574 -10.370 665 2HG LYS 94 2HG LYS 94 -5.977 -10.314 -9.173 666 1HD LYS 94 1HD LYS 94 -5.015 -11.831 -7.794 667 2HD LYS 94 2HD LYS 94 -6.548 -12.674 -7.686 668 1HE LYS 94 1HE LYS 94 -4.640 -13.129 -10.017 669 2HE LYS 94 2HE LYS 94 -4.494 -14.031 -8.522 670 1HZ LYS 94 1HZ LYS 94 -5.906 -15.323 -9.860 671 2HZ LYS 94 2HZ LYS 94 -6.966 -14.564 -8.884 672 H LYS 95 H LYS 95 -10.460 -8.592 -8.932 673 HA LYS 95 HA LYS 95 -8.951 -6.708 -10.608 674 1HB LYS 95 1HB LYS 95 -10.898 -8.455 -11.468 675 2HB LYS 95 2HB LYS 95 -11.826 -6.999 -11.173 676 1HG LYS 95 1HG LYS 95 -10.587 -5.724 -12.738 677 2HG LYS 95 2HG LYS 95 -9.200 -6.793 -12.667 678 1HD LYS 95 1HD LYS 95 -11.474 -8.343 -13.553 679 2HD LYS 95 2HD LYS 95 -11.419 -6.873 -14.505 680 1HE LYS 95 1HE LYS 95 -8.740 -8.061 -14.141 681 2HE LYS 95 2HE LYS 95 -9.854 -9.170 -14.916 682 1HZ LYS 95 1HZ LYS 95 -8.659 -7.612 -16.463 683 2HZ LYS 95 2HZ LYS 95 -10.279 -7.571 -16.627 684 H ASP 96 H ASP 96 -10.601 -7.192 -7.700 685 HA ASP 96 HA ASP 96 -11.412 -4.392 -7.671 686 1HB ASP 96 1HB ASP 96 -12.680 -6.853 -6.725 687 2HB ASP 96 2HB ASP 96 -12.467 -5.736 -5.391 688 H LEU 97 H LEU 97 -9.002 -6.559 -6.770 689 HA LEU 97 HA LEU 97 -8.342 -4.973 -4.388 690 1HB LEU 97 1HB LEU 97 -8.046 -7.943 -4.829 691 2HB LEU 97 2HB LEU 97 -7.204 -7.070 -3.564 692 HG LEU 97 HG LEU 97 -10.177 -7.516 -3.859 693 1HD1 LEU 97 3HD1 LEU 97 -8.637 -9.247 -2.793 694 2HD1 LEU 97 1HD1 LEU 97 -8.417 -8.076 -1.470 695 3HD1 LEU 97 2HD1 LEU 97 -10.039 -8.710 -1.838 696 1HD2 LEU 97 3HD2 LEU 97 -8.730 -5.405 -2.305 697 2HD2 LEU 97 1HD2 LEU 97 -10.285 -5.332 -3.168 698 3HD2 LEU 97 2HD2 LEU 97 -10.176 -6.167 -1.599 699 H THR 98 H THR 98 -7.125 -7.022 -7.112 700 HA THR 98 HA THR 98 -4.655 -5.417 -7.022 701 HB THR 98 HB THR 98 -3.499 -7.388 -7.762 702 HG1 THR 98 HG1 THR 98 -6.234 -8.361 -8.207 703 1HG2 THR 98 2HG2 THR 98 -5.802 -8.338 -5.976 704 2HG2 THR 98 3HG2 THR 98 -4.326 -9.275 -6.313 705 3HG2 THR 98 1HG2 THR 98 -4.221 -7.744 -5.411 706 H GLY 99 H GLY 99 -7.466 -5.067 -8.374 707 1HA GLY 99 1HA GLY 99 -7.178 -5.354 -11.131 708 2HA GLY 99 2HA GLY 99 -8.214 -4.205 -10.308 709 H CYS 100 H CYS 100 -6.960 -3.540 -12.745 710 HA CYS 100 HA CYS 100 -4.752 -1.819 -11.908 711 1HB CYS 100 1HB CYS 100 -5.437 -3.232 -14.414 712 2HB CYS 100 2HB CYS 100 -4.808 -1.609 -14.617 713 H LYS 101 H LYS 101 -7.951 -1.977 -13.565 714 HA LYS 101 HA LYS 101 -8.270 0.867 -12.994 715 1HB LYS 101 1HB LYS 101 -7.489 0.682 -15.335 716 2HB LYS 101 2HB LYS 101 -8.832 -0.381 -15.701 717 1HG LYS 101 1HG LYS 101 -10.282 1.614 -14.656 718 2HG LYS 101 2HG LYS 101 -8.870 2.571 -15.056 719 1HD LYS 101 1HD LYS 101 -9.253 1.046 -17.371 720 2HD LYS 101 2HD LYS 101 -10.894 1.370 -16.849 721 1HE LYS 101 1HE LYS 101 -10.577 3.333 -18.013 722 2HE LYS 101 2HE LYS 101 -9.854 3.861 -16.506 723 1HZ LYS 101 1HZ LYS 101 -8.585 3.611 -18.978 724 2HZ LYS 101 2HZ LYS 101 -7.902 4.056 -17.568 725 H LYS 102 H LYS 102 -10.360 1.439 -12.377 726 HA LYS 102 HA LYS 102 -12.444 1.168 -11.697 727 1HB LYS 102 1HB LYS 102 -12.306 -0.789 -13.931 728 2HB LYS 102 2HB LYS 102 -13.631 -0.996 -12.803 729 1HG LYS 102 1HG LYS 102 -13.696 1.738 -13.166 730 2HG LYS 102 2HG LYS 102 -13.113 1.218 -14.735 731 1HD LYS 102 1HD LYS 102 -15.164 0.445 -15.328 732 2HD LYS 102 2HD LYS 102 -15.283 -0.527 -13.874 733 1HE LYS 102 1HE LYS 102 -15.968 1.556 -12.597 734 2HE LYS 102 2HE LYS 102 -15.959 2.445 -14.107 735 1HZ LYS 102 1HZ LYS 102 -17.924 1.527 -14.693 736 2HZ LYS 102 2HZ LYS 102 -17.497 0.017 -14.259 737 H SER 103 H SER 103 -10.285 0.235 -10.125 738 HA SER 103 HA SER 103 -11.446 -2.174 -8.966 739 1HB SER 103 1HB SER 103 -8.953 -1.869 -7.776 740 2HB SER 103 2HB SER 103 -9.317 -2.938 -9.117 741 HG SER 103 HG SER 103 -8.382 -0.201 -9.322 742 H LYS 104 H LYS 104 -10.343 -2.085 -6.400 743 HA LYS 104 HA LYS 104 -11.968 -0.068 -5.206 744 1HB LYS 104 1HB LYS 104 -10.092 -2.135 -4.021 745 2HB LYS 104 2HB LYS 104 -11.141 -1.091 -3.083 746 1HG LYS 104 1HG LYS 104 -12.230 -2.862 -5.308 747 2HG LYS 104 2HG LYS 104 -12.028 -3.462 -3.674 748 1HD LYS 104 1HD LYS 104 -13.342 -1.055 -3.227 749 2HD LYS 104 2HD LYS 104 -14.040 -1.559 -4.753 750 1HE LYS 104 1HE LYS 104 -13.799 -3.703 -2.677 751 2HE LYS 104 2HE LYS 104 -14.937 -2.423 -2.310 752 1HZ LYS 104 1HZ LYS 104 -14.948 -4.117 -4.748 753 2HZ LYS 104 2HZ LYS 104 -16.070 -4.109 -3.568 754 H CYS 105 H CYS 105 -8.554 -0.475 -6.059 755 HA CYS 105 HA CYS 105 -7.755 1.717 -4.381 756 1HB CYS 105 1HB CYS 105 -6.166 0.193 -6.472 757 2HB CYS 105 2HB CYS 105 -5.516 1.329 -5.308 758 H HIS 106 H HIS 106 -7.547 0.984 -7.950 759 HA HIS 106 HA HIS 106 -7.665 3.848 -8.437 760 1HB HIS 106 1HB HIS 106 -6.979 1.522 -10.254 761 2HB HIS 106 2HB HIS 106 -7.005 3.201 -10.755 762 HD1 HIS 106 HD1 HIS 106 -5.410 4.751 -8.862 763 HD2 HIS 106 HD2 HIS 106 -4.426 0.763 -9.714 764 HE1 HIS 106 HE1 HIS 106 -2.954 4.470 -8.233 765 H GLU 107 H GLU 107 -9.507 4.837 -9.112 766 HA GLU 107 HA GLU 107 -11.608 3.055 -10.073 767 1HB GLU 107 1HB GLU 107 -11.676 5.479 -8.276 768 2HB GLU 107 2HB GLU 107 -13.077 5.130 -9.269 769 1HG GLU 107 1HG GLU 107 -12.066 2.705 -7.943 770 2HG GLU 107 2HG GLU 107 -12.449 3.959 -6.781 771 HHA HEC 108 HHA HEC 108 -0.905 6.721 7.365 772 HHB HEC 108 HHB HEC 108 -1.607 4.122 13.185 773 HHC HEC 108 HHC HEC 108 -2.584 -1.618 10.507 774 HHD HEC 108 HHD HEC 108 -1.091 0.884 4.722 775 1HMA HEC 108 1HMA HEC 108 -1.761 7.668 12.596 776 2HMA HEC 108 2HMA HEC 108 -1.541 6.100 13.410 777 3HMA HEC 108 3HMA HEC 108 -0.121 7.039 12.890 778 1HAA HEC 108 1HAA HEC 108 -0.364 8.112 8.714 779 2HAA HEC 108 2HAA HEC 108 -1.618 8.634 9.864 780 1HBA HEC 108 1HBA HEC 108 0.936 7.920 11.128 781 2HBA HEC 108 2HBA HEC 108 1.031 9.289 9.993 782 1HMB HEC 108 1HMB HEC 108 -2.360 1.012 15.105 783 2HMB HEC 108 2HMB HEC 108 -1.771 2.649 14.730 784 3HMB HEC 108 3HMB HEC 108 -3.510 2.286 14.635 785 HAB HEC 108 HAB HEC 108 -3.188 -1.738 12.390 786 1HBB HEC 108 1HBB HEC 108 -3.977 -1.124 15.039 787 2HBB HEC 108 2HBB HEC 108 -4.553 0.196 13.994 788 3HBB HEC 108 3HBB HEC 108 -5.002 -1.487 13.630 789 1HMC HEC 108 1HMC HEC 108 -3.498 -3.223 7.622 790 2HMC HEC 108 2HMC HEC 108 -1.768 -3.641 7.620 791 3HMC HEC 108 3HMC HEC 108 -2.555 -3.114 9.127 792 HAC HEC 108 HAC HEC 108 -1.932 -1.015 4.401 793 1HBC HEC 108 1HBC HEC 108 -2.313 -3.798 5.382 794 2HBC HEC 108 2HBC HEC 108 -3.656 -2.650 5.604 795 3HBC HEC 108 3HBC HEC 108 -3.013 -2.963 3.974 796 1HMD HEC 108 1HMD HEC 108 0.196 3.961 2.968 797 2HMD HEC 108 2HMD HEC 108 0.116 2.239 3.413 798 3HMD HEC 108 3HMD HEC 108 -1.361 3.098 2.912 799 1HAD HEC 108 1HAD HEC 108 -0.621 6.926 5.364 800 2HAD HEC 108 2HAD HEC 108 0.845 6.174 4.691 801 1HBD HEC 108 1HBD HEC 108 -1.439 5.400 3.126 802 2HBD HEC 108 2HBD HEC 108 -1.393 7.170 3.306 803 HHA HEC 109 HHA HEC 109 11.625 -2.332 1.657 804 HHB HEC 109 HHB HEC 109 5.266 -1.560 1.369 805 HHC HEC 109 HHC HEC 109 5.680 3.366 5.449 806 HHD HEC 109 HHD HEC 109 12.139 3.218 4.826 807 1HMA HEC 109 1HMA HEC 109 7.221 -4.236 -0.507 808 2HMA HEC 109 2HMA HEC 109 6.159 -4.170 0.920 809 3HMA HEC 109 3HMA HEC 109 6.004 -2.944 -0.361 810 1HAA HEC 109 1HAA HEC 109 10.860 -3.951 0.738 811 2HAA HEC 109 2HAA HEC 109 9.386 -4.863 0.333 812 1HBA HEC 109 1HBA HEC 109 9.180 -3.557 -1.751 813 2HBA HEC 109 2HBA HEC 109 10.697 -2.716 -1.350 814 1HMB HEC 109 1HMB HEC 109 3.345 -0.717 1.607 815 2HMB HEC 109 2HMB HEC 109 2.909 -1.148 3.277 816 3HMB HEC 109 3HMB HEC 109 2.343 0.388 2.579 817 HAB HEC 109 HAB HEC 109 3.772 2.812 5.380 818 1HBB HEC 109 1HBB HEC 109 1.592 0.965 4.482 819 2HBB HEC 109 2HBB HEC 109 2.786 0.405 5.677 820 3HBB HEC 109 3HBB HEC 109 1.791 1.841 6.018 821 1HMC HEC 109 1HMC HEC 109 7.759 5.096 7.661 822 2HMC HEC 109 2HMC HEC 109 7.792 6.168 6.240 823 3HMC HEC 109 3HMC HEC 109 6.486 4.972 6.423 824 HAC HEC 109 HAC HEC 109 11.723 4.757 5.959 825 1HBC HEC 109 1HBC HEC 109 11.134 4.285 8.209 826 2HBC HEC 109 2HBC HEC 109 11.314 6.051 8.078 827 3HBC HEC 109 3HBC HEC 109 9.691 5.323 8.123 828 1HMD HEC 109 1HMD HEC 109 14.947 1.632 3.149 829 2HMD HEC 109 2HMD HEC 109 13.981 2.718 4.177 830 3HMD HEC 109 3HMD HEC 109 14.622 1.197 4.844 831 1HAD HEC 109 1HAD HEC 109 13.592 -2.054 2.130 832 2HAD HEC 109 2HAD HEC 109 14.311 -0.630 1.340 833 1HBD HEC 109 1HBD HEC 109 14.905 -0.795 4.205 834 2HBD HEC 109 2HBD HEC 109 15.504 -2.180 3.262 835 HHA HEC 110 HHA HEC 110 -10.232 -4.791 0.913 836 HHB HEC 110 HHB HEC 110 -6.470 0.090 -0.854 837 HHC HEC 110 HHC HEC 110 -1.465 -2.772 1.947 838 HHD HEC 110 HHD HEC 110 -5.124 -7.891 3.235 839 1HMA HEC 110 1HMA HEC 110 -8.372 0.624 -1.204 840 2HMA HEC 110 2HMA HEC 110 -9.309 -0.348 -2.364 841 3HMA HEC 110 3HMA HEC 110 -10.087 0.269 -0.887 842 1HAA HEC 110 1HAA HEC 110 -11.300 -2.120 -1.400 843 2HAA HEC 110 2HAA HEC 110 -11.281 -3.628 -0.454 844 1HBA HEC 110 1HBA HEC 110 -11.264 -1.438 1.372 845 2HBA HEC 110 2HBA HEC 110 -12.537 -1.156 0.160 846 1HMB HEC 110 1HMB HEC 110 -3.042 1.129 -1.445 847 2HMB HEC 110 2HMB HEC 110 -4.821 1.102 -1.406 848 3HMB HEC 110 3HMB HEC 110 -3.913 1.843 -0.067 849 HAB HEC 110 HAB HEC 110 -0.840 -1.014 1.247 850 1HBB HEC 110 1HBB HEC 110 -1.047 1.649 0.050 851 2HBB HEC 110 2HBB HEC 110 -2.176 1.382 1.400 852 3HBB HEC 110 3HBB HEC 110 -0.428 1.142 1.640 853 1HMC HEC 110 1HMC HEC 110 -0.316 -5.126 3.822 854 2HMC HEC 110 2HMC HEC 110 -0.059 -6.173 2.406 855 3HMC HEC 110 3HMC HEC 110 -0.192 -4.411 2.197 856 HAC HEC 110 HAC HEC 110 -3.180 -8.046 4.293 857 1HBC HEC 110 1HBC HEC 110 -0.263 -7.726 3.651 858 2HBC HEC 110 2HBC HEC 110 -1.043 -6.711 4.888 859 3HBC HEC 110 3HBC HEC 110 -1.041 -8.483 5.062 860 1HMD HEC 110 1HMD HEC 110 -7.562 -9.523 2.683 861 2HMD HEC 110 2HMD HEC 110 -6.895 -8.726 4.128 862 3HMD HEC 110 3HMD HEC 110 -8.657 -8.881 3.930 863 1HAD HEC 110 1HAD HEC 110 -10.341 -8.143 2.757 864 2HAD HEC 110 2HAD HEC 110 -10.854 -6.439 2.769 865 1HBD HEC 110 1HBD HEC 110 -11.591 -6.551 0.673 866 2HBD HEC 110 2HBD HEC 110 -10.112 -7.359 0.101 867 HHA HEC 111 HHA HEC 111 0.473 5.421 -7.638 868 HHB HEC 111 HHB HEC 111 -0.582 1.929 -12.911 869 HHC HEC 111 HHC HEC 111 -3.339 -2.640 -9.364 870 HHD HEC 111 HHD HEC 111 -3.068 1.310 -4.225 871 1HMA HEC 111 1HMA HEC 111 0.675 5.333 -13.001 872 2HMA HEC 111 2HMA HEC 111 1.890 4.038 -12.881 873 3HMA HEC 111 3HMA HEC 111 0.255 3.672 -13.481 874 1HAA HEC 111 1HAA HEC 111 0.717 6.819 -10.680 875 2HAA HEC 111 2HAA HEC 111 1.388 6.321 -9.109 876 1HBA HEC 111 1HBA HEC 111 3.396 5.638 -10.036 877 2HBA HEC 111 2HBA HEC 111 2.701 5.439 -11.662 878 1HMB HEC 111 1HMB HEC 111 -0.705 -1.668 -13.916 879 2HMB HEC 111 2HMB HEC 111 -1.889 -0.420 -14.373 880 3HMB HEC 111 3HMB HEC 111 -0.245 0.052 -13.879 881 HAB HEC 111 HAB HEC 111 -3.420 -3.202 -11.424 882 1HBB HEC 111 1HBB HEC 111 -1.682 -4.856 -12.263 883 2HBB HEC 111 2HBB HEC 111 -0.481 -3.570 -11.993 884 3HBB HEC 111 3HBB HEC 111 -1.441 -4.191 -10.629 885 1HMC HEC 111 1HMC HEC 111 -4.527 -3.389 -7.887 886 2HMC HEC 111 2HMC HEC 111 -4.269 -3.683 -6.151 887 3HMC HEC 111 3HMC HEC 111 -5.723 -2.816 -6.700 888 HAC HEC 111 HAC HEC 111 -3.933 -0.399 -3.625 889 1HBC HEC 111 1HBC HEC 111 -4.214 -2.455 -2.705 890 2HBC HEC 111 2HBC HEC 111 -5.130 -3.083 -4.095 891 3HBC HEC 111 3HBC HEC 111 -3.359 -2.933 -4.191 892 1HMD HEC 111 1HMD HEC 111 -2.612 2.928 -3.021 893 2HMD HEC 111 2HMD HEC 111 -0.862 2.921 -2.695 894 3HMD HEC 111 3HMD HEC 111 -1.727 4.466 -2.878 895 1HAD HEC 111 1HAD HEC 111 0.591 5.277 -4.011 896 2HAD HEC 111 2HAD HEC 111 0.769 5.840 -5.691 897 1HBD HEC 111 1HBD HEC 111 -1.627 6.765 -5.402 898 2HBD HEC 111 2HBD HEC 111 -1.327 6.555 -3.660 No H/Q in entry = 898 Start of MODEL 7 1 1H ALA 1 1H ALA 1 -1.068 1.219 22.580 2 2H ALA 1 2H ALA 1 0.100 1.983 23.472 3 HA ALA 1 HA ALA 1 0.490 3.572 21.973 4 1HB ALA 1 3HB ALA 1 0.227 0.832 21.025 5 2HB ALA 1 1HB ALA 1 -0.008 1.990 19.694 6 3HB ALA 1 2HB ALA 1 1.485 2.038 20.663 7 HA PRO 2 HA PRO 2 -2.833 5.524 20.001 8 1HB PRO 2 1HB PRO 2 -1.832 6.465 17.640 9 2HB PRO 2 2HB PRO 2 -1.530 7.237 19.184 10 1HG PRO 2 1HG PRO 2 0.294 5.578 17.553 11 2HG PRO 2 2HG PRO 2 0.685 6.688 18.852 12 1HD PRO 2 1HD PRO 2 0.620 3.824 19.003 13 2HD PRO 2 2HD PRO 2 0.897 4.937 20.328 14 H LYS 3 H LYS 3 -4.698 5.286 18.807 15 HA LYS 3 HA LYS 3 -4.799 2.746 17.478 16 1HB LYS 3 1HB LYS 3 -6.839 4.881 18.125 17 2HB LYS 3 2HB LYS 3 -7.234 3.487 17.141 18 1HG LYS 3 1HG LYS 3 -6.416 1.982 18.995 19 2HG LYS 3 2HG LYS 3 -6.109 3.398 19.981 20 1HD LYS 3 1HD LYS 3 -8.252 3.188 20.715 21 2HD LYS 3 2HD LYS 3 -8.739 3.819 19.154 22 1HE LYS 3 1HE LYS 3 -8.287 1.128 18.578 23 2HE LYS 3 2HE LYS 3 -8.924 1.051 20.209 24 1HZ LYS 3 1HZ LYS 3 -10.896 2.148 19.527 25 2HZ LYS 3 2HZ LYS 3 -10.270 2.649 18.109 26 H ALA 4 H ALA 4 -6.290 2.872 15.301 27 HA ALA 4 HA ALA 4 -4.555 3.954 13.374 28 1HB ALA 4 2HB ALA 4 -6.961 2.311 13.519 29 2HB ALA 4 3HB ALA 4 -7.034 3.449 12.153 30 3HB ALA 4 1HB ALA 4 -5.666 2.320 12.297 31 HA PRO 5 HA PRO 5 -6.135 7.956 12.936 32 1HB PRO 5 1HB PRO 5 -5.479 8.535 10.347 33 2HB PRO 5 2HB PRO 5 -4.330 8.615 11.667 34 1HG PRO 5 1HG PRO 5 -4.586 6.564 9.554 35 2HG PRO 5 2HG PRO 5 -3.222 6.895 10.603 36 1HD PRO 5 1HD PRO 5 -5.092 4.735 10.851 37 2HD PRO 5 2HD PRO 5 -3.799 5.134 11.963 38 H ALA 6 H ALA 6 -7.523 9.479 11.503 39 HA ALA 6 HA ALA 6 -10.039 8.340 11.421 40 1HB ALA 6 1HB ALA 6 -8.990 10.851 11.236 41 2HB ALA 6 2HB ALA 6 -9.487 10.582 9.548 42 3HB ALA 6 3HB ALA 6 -10.684 10.453 10.859 43 H ASP 7 H ASP 7 -11.458 7.992 9.483 44 HA ASP 7 HA ASP 7 -10.070 6.287 7.686 45 1HB ASP 7 1HB ASP 7 -12.296 5.745 6.832 46 2HB ASP 7 2HB ASP 7 -12.351 5.779 8.583 47 H GLY 8 H GLY 8 -10.890 6.512 5.193 48 1HA GLY 8 1HA GLY 8 -11.055 7.735 3.299 49 2HA GLY 8 2HA GLY 8 -11.418 9.159 4.255 50 H LEU 9 H LEU 9 -8.515 7.172 4.864 51 HA LEU 9 HA LEU 9 -6.862 9.467 4.487 52 1HB LEU 9 1HB LEU 9 -6.295 8.055 6.263 53 2HB LEU 9 2HB LEU 9 -6.414 6.606 5.284 54 HG LEU 9 HG LEU 9 -4.085 7.717 6.004 55 1HD1 LEU 9 3HD1 LEU 9 -4.684 5.561 4.685 56 2HD1 LEU 9 1HD1 LEU 9 -4.251 6.523 3.251 57 3HD1 LEU 9 2HD1 LEU 9 -3.051 6.253 4.538 58 1HD2 LEU 9 3HD2 LEU 9 -4.879 9.751 4.505 59 2HD2 LEU 9 1HD2 LEU 9 -3.173 9.248 4.578 60 3HD2 LEU 9 2HD2 LEU 9 -4.189 8.750 3.205 61 H LYS 10 H LYS 10 -6.775 10.186 2.382 62 HA LYS 10 HA LYS 10 -6.148 8.174 0.350 63 1HB LYS 10 1HB LYS 10 -8.097 9.422 -0.210 64 2HB LYS 10 2HB LYS 10 -7.340 10.948 0.201 65 1HG LYS 10 1HG LYS 10 -5.618 10.460 -1.652 66 2HG LYS 10 2HG LYS 10 -6.637 9.120 -2.137 67 1HD LYS 10 1HD LYS 10 -7.843 10.581 -3.384 68 2HD LYS 10 2HD LYS 10 -8.432 11.283 -1.890 69 1HE LYS 10 1HE LYS 10 -5.902 12.441 -2.131 70 2HE LYS 10 2HE LYS 10 -6.424 12.335 -3.801 71 1HZ LYS 10 1HZ LYS 10 -8.297 13.662 -3.350 72 2HZ LYS 10 2HZ LYS 10 -8.239 13.428 -1.740 73 H MET 11 H MET 11 -4.287 8.333 -0.939 74 HA MET 11 HA MET 11 -2.412 10.377 -0.026 75 1HB MET 11 1HB MET 11 -0.613 8.637 -0.415 76 2HB MET 11 2HB MET 11 -1.744 8.155 0.834 77 1HG MET 11 1HG MET 11 -2.867 7.225 -1.621 78 2HG MET 11 2HG MET 11 -1.158 6.845 -1.708 79 1HE MET 11 2HE MET 11 0.158 5.792 -0.052 80 2HE MET 11 3HE MET 11 -0.391 4.509 1.052 81 3HE MET 11 1HE MET 11 -0.500 4.275 -0.709 82 H GLU 12 H GLU 12 -2.232 11.838 -1.679 83 HA GLU 12 HA GLU 12 -2.235 10.739 -4.374 84 1HB GLU 12 1HB GLU 12 -3.945 12.515 -3.723 85 2HB GLU 12 2HB GLU 12 -2.618 13.645 -3.540 86 1HG GLU 12 1HG GLU 12 -2.825 12.082 -6.118 87 2HG GLU 12 2HG GLU 12 -3.934 13.415 -5.863 88 H ALA 13 H ALA 13 0.084 10.045 -3.704 89 HA ALA 13 HA ALA 13 1.957 12.274 -3.764 90 1HB ALA 13 1HB ALA 13 1.851 9.709 -2.520 91 2HB ALA 13 2HB ALA 13 3.202 9.677 -3.680 92 3HB ALA 13 3HB ALA 13 3.144 10.929 -2.415 93 H THR 14 H THR 14 0.326 10.125 -5.887 94 HA THR 14 HA THR 14 2.286 10.756 -7.982 95 HB THR 14 HB THR 14 1.948 8.425 -8.851 96 HG1 THR 14 HG1 THR 14 -0.212 8.505 -7.492 97 1HG2 THR 14 2HG2 THR 14 3.273 9.079 -6.330 98 2HG2 THR 14 3HG2 THR 14 2.586 7.439 -6.249 99 3HG2 THR 14 1HG2 THR 14 3.734 7.860 -7.542 100 H LYS 15 H LYS 15 1.159 10.061 -10.226 101 HA LYS 15 HA LYS 15 -0.974 11.868 -10.475 102 1HB LYS 15 1HB LYS 15 0.720 11.280 -12.231 103 2HB LYS 15 2HB LYS 15 -0.080 9.734 -12.433 104 1HG LYS 15 1HG LYS 15 -1.898 12.100 -12.518 105 2HG LYS 15 2HG LYS 15 -0.737 12.020 -13.829 106 1HD LYS 15 1HD LYS 15 -1.575 9.416 -13.813 107 2HD LYS 15 2HD LYS 15 -3.024 10.188 -13.199 108 1HE LYS 15 1HE LYS 15 -3.563 10.922 -15.277 109 2HE LYS 15 2HE LYS 15 -2.036 11.769 -15.411 110 1HZ LYS 15 1HZ LYS 15 -2.381 8.875 -15.988 111 2HZ LYS 15 2HZ LYS 15 -2.304 10.036 -17.127 112 H GLN 16 H GLN 16 -0.821 8.620 -9.339 113 HA GLN 16 HA GLN 16 -3.695 8.394 -9.793 114 1HB GLN 16 1HB GLN 16 -1.750 6.077 -9.425 115 2HB GLN 16 2HB GLN 16 -3.447 5.966 -9.848 116 1HG GLN 16 1HG GLN 16 -1.785 7.682 -11.650 117 2HG GLN 16 2HG GLN 16 -1.412 5.970 -11.687 118 1HE2 GLN 16 1HE2 GLN 16 -3.517 4.565 -11.581 119 2HE2 GLN 16 2HE2 GLN 16 -4.735 4.966 -12.746 120 HA PRO 17 HA PRO 17 -3.323 8.677 -5.367 121 1HB PRO 17 1HB PRO 17 -5.770 9.810 -4.923 122 2HB PRO 17 2HB PRO 17 -4.319 10.747 -5.218 123 1HG PRO 17 1HG PRO 17 -6.582 10.210 -7.043 124 2HG PRO 17 2HG PRO 17 -5.357 11.458 -7.151 125 1HD PRO 17 1HD PRO 17 -5.481 9.039 -8.687 126 2HD PRO 17 2HD PRO 17 -4.197 10.231 -8.712 127 H VAL 18 H VAL 18 -4.341 7.686 -3.494 128 HA VAL 18 HA VAL 18 -6.339 5.714 -4.289 129 HB VAL 18 HB VAL 18 -3.678 5.126 -2.987 130 1HG1 VAL 18 2HG1 VAL 18 -5.568 3.981 -1.813 131 2HG1 VAL 18 3HG1 VAL 18 -5.997 3.202 -3.355 132 3HG1 VAL 18 1HG1 VAL 18 -4.422 2.865 -2.596 133 1HG2 VAL 18 1HG2 VAL 18 -4.937 4.518 -5.636 134 2HG2 VAL 18 2HG2 VAL 18 -3.260 4.967 -5.241 135 3HG2 VAL 18 3HG2 VAL 18 -3.839 3.315 -4.917 136 H VAL 19 H VAL 19 -7.582 4.892 -2.454 137 HA VAL 19 HA VAL 19 -7.327 6.647 -0.109 138 HB VAL 19 HB VAL 19 -9.753 5.678 -1.613 139 1HG1 VAL 19 1HG1 VAL 19 -10.150 5.258 0.770 140 2HG1 VAL 19 2HG1 VAL 19 -9.689 6.934 1.152 141 3HG1 VAL 19 3HG1 VAL 19 -11.147 6.611 0.185 142 1HG2 VAL 19 1HG2 VAL 19 -8.270 8.068 -1.668 143 2HG2 VAL 19 2HG2 VAL 19 -9.865 7.764 -2.399 144 3HG2 VAL 19 3HG2 VAL 19 -9.752 8.446 -0.758 145 H PHE 20 H PHE 20 -6.660 5.524 1.640 146 HA PHE 20 HA PHE 20 -7.332 2.666 1.722 147 1HB PHE 20 1HB PHE 20 -4.903 3.445 1.726 148 2HB PHE 20 2HB PHE 20 -5.237 4.437 3.131 149 HD1 PHE 20 HD1 PHE 20 -4.868 0.961 1.922 150 HD2 PHE 20 HD2 PHE 20 -5.347 3.482 5.345 151 HE1 PHE 20 HE1 PHE 20 -4.266 -0.983 3.446 152 HE2 PHE 20 HE2 PHE 20 -4.744 1.530 6.858 153 HZ PHE 20 HZ PHE 20 -4.253 -0.594 5.958 154 H ASN 21 H ASN 21 -8.438 1.793 3.465 155 HA ASN 21 HA ASN 21 -9.242 3.751 5.472 156 1HB ASN 21 1HB ASN 21 -10.785 1.485 4.136 157 2HB ASN 21 2HB ASN 21 -11.299 2.115 5.688 158 1HD2 ASN 21 2HD2 ASN 21 -13.175 3.902 3.052 159 2HD2 ASN 21 1HD2 ASN 21 -12.986 2.275 3.615 160 H HIS 22 H HIS 22 -8.383 3.204 7.481 161 HA HIS 22 HA HIS 22 -7.109 0.731 7.881 162 1HB HIS 22 1HB HIS 22 -7.766 3.106 9.604 163 2HB HIS 22 2HB HIS 22 -7.142 1.642 10.340 164 HD1 HIS 22 HD1 HIS 22 -6.147 4.510 8.125 165 HD2 HIS 22 HD2 HIS 22 -4.428 1.043 9.744 166 HE1 HIS 22 HE1 HIS 22 -3.630 4.724 7.763 167 H SER 23 H SER 23 -10.405 1.869 8.267 168 HA SER 23 HA SER 23 -11.139 -0.011 10.223 169 1HB SER 23 1HB SER 23 -12.317 2.209 8.975 170 2HB SER 23 2HB SER 23 -13.302 0.867 8.427 171 HG SER 23 HG SER 23 -12.909 0.436 11.042 172 H THR 24 H THR 24 -10.110 -0.413 7.052 173 HA THR 24 HA THR 24 -11.899 -2.695 6.571 174 HB THR 24 HB THR 24 -10.083 -1.030 4.751 175 HG1 THR 24 HG1 THR 24 -12.070 0.011 5.204 176 1HG2 THR 24 1HG2 THR 24 -10.916 -3.709 4.349 177 2HG2 THR 24 2HG2 THR 24 -12.120 -2.726 3.482 178 3HG2 THR 24 3HG2 THR 24 -10.392 -2.570 3.086 179 H HIS 25 H HIS 25 -8.531 -1.708 7.148 180 HA HIS 25 HA HIS 25 -7.752 -4.505 6.839 181 1HB HIS 25 1HB HIS 25 -6.062 -1.996 7.038 182 2HB HIS 25 2HB HIS 25 -5.437 -3.623 6.860 183 HD1 HIS 25 HD1 HIS 25 -7.581 -1.099 4.958 184 HD2 HIS 25 HD2 HIS 25 -5.265 -4.525 4.258 185 HE1 HIS 25 HE1 HIS 25 -7.442 -1.362 2.424 186 H LYS 26 H LYS 26 -9.420 -3.732 9.058 187 HA LYS 26 HA LYS 26 -7.824 -3.212 11.334 188 1HB LYS 26 1HB LYS 26 -10.600 -4.422 11.195 189 2HB LYS 26 2HB LYS 26 -9.855 -3.659 12.585 190 1HG LYS 26 1HG LYS 26 -9.711 -1.502 11.335 191 2HG LYS 26 2HG LYS 26 -10.429 -2.261 9.928 192 1HD LYS 26 1HD LYS 26 -12.405 -1.509 10.804 193 2HD LYS 26 2HD LYS 26 -12.295 -2.925 11.830 194 1HE LYS 26 1HE LYS 26 -10.889 -1.398 13.438 195 2HE LYS 26 2HE LYS 26 -11.525 -0.060 12.501 196 1HZ LYS 26 1HZ LYS 26 -13.660 -0.467 13.252 197 2HZ LYS 26 2HZ LYS 26 -13.429 -2.060 13.500 198 H SER 27 H SER 27 -9.008 -6.167 9.677 199 HA SER 27 HA SER 27 -8.166 -7.883 11.732 200 1HB SER 27 1HB SER 27 -8.788 -9.650 10.270 201 2HB SER 27 2HB SER 27 -9.882 -8.342 9.869 202 HG SER 27 HG SER 27 -7.757 -9.457 8.356 203 H VAL 28 H VAL 28 -6.491 -6.033 9.364 204 HA VAL 28 HA VAL 28 -4.292 -7.905 9.122 205 HB VAL 28 HB VAL 28 -4.547 -5.078 8.086 206 1HG1 VAL 28 2HG1 VAL 28 -2.300 -6.502 8.191 207 2HG1 VAL 28 3HG1 VAL 28 -2.982 -7.229 6.716 208 3HG1 VAL 28 1HG1 VAL 28 -2.696 -5.474 6.793 209 1HG2 VAL 28 3HG2 VAL 28 -6.159 -7.285 7.393 210 2HG2 VAL 28 1HG2 VAL 28 -6.005 -5.736 6.530 211 3HG2 VAL 28 2HG2 VAL 28 -4.973 -7.114 6.076 212 H LYS 29 H LYS 29 -2.224 -7.608 10.027 213 HA LYS 29 HA LYS 29 -2.241 -6.154 12.483 214 1HB LYS 29 1HB LYS 29 -0.779 -8.313 11.308 215 2HB LYS 29 2HB LYS 29 0.373 -7.085 11.794 216 1HG LYS 29 1HG LYS 29 0.167 -8.152 13.832 217 2HG LYS 29 2HG LYS 29 -1.173 -7.037 14.009 218 1HD LYS 29 1HD LYS 29 -2.515 -8.844 14.308 219 2HD LYS 29 2HD LYS 29 -2.306 -9.191 12.603 220 1HE LYS 29 1HE LYS 29 -0.302 -10.146 14.692 221 2HE LYS 29 2HE LYS 29 -1.721 -11.087 14.276 222 1HZ LYS 29 1HZ LYS 29 -0.614 -11.821 12.484 223 2HZ LYS 29 2HZ LYS 29 -0.485 -10.314 11.882 224 H CYS 30 H CYS 30 -0.981 -4.329 13.058 225 HA CYS 30 HA CYS 30 -0.752 -2.425 11.023 226 1HB CYS 30 1HB CYS 30 0.670 -2.196 13.659 227 2HB CYS 30 2HB CYS 30 -0.043 -0.934 12.675 228 H GLY 31 H GLY 31 1.449 -4.805 12.508 229 1HA GLY 31 1HA GLY 31 3.862 -3.666 11.466 230 2HA GLY 31 2HA GLY 31 3.648 -5.244 12.197 231 H ASP 32 H ASP 32 1.210 -5.165 9.959 232 HA ASP 32 HA ASP 32 2.703 -6.807 8.190 233 1HB ASP 32 1HB ASP 32 0.265 -7.144 8.882 234 2HB ASP 32 2HB ASP 32 -0.149 -5.755 7.897 235 H CYS 33 H CYS 33 1.299 -3.508 8.292 236 HA CYS 33 HA CYS 33 2.199 -3.065 5.548 237 1HB CYS 33 1HB CYS 33 0.041 -1.872 7.234 238 2HB CYS 33 2HB CYS 33 0.842 -0.812 6.091 239 H HIS 34 H HIS 34 2.094 -1.513 8.844 240 HA HIS 34 HA HIS 34 4.196 0.281 8.138 241 1HB HIS 34 1HB HIS 34 2.876 -0.323 10.799 242 2HB HIS 34 2HB HIS 34 4.019 0.975 10.518 243 HD1 HIS 34 HD1 HIS 34 3.212 2.956 8.905 244 HD2 HIS 34 HD2 HIS 34 0.251 0.207 10.033 245 HE1 HIS 34 HE1 HIS 34 0.973 4.053 8.361 246 H HIS 35 H HIS 35 5.570 -1.676 7.393 247 HA HIS 35 HA HIS 35 6.602 -3.476 9.207 248 1HB HIS 35 1HB HIS 35 8.331 -3.874 7.585 249 2HB HIS 35 2HB HIS 35 6.806 -3.631 6.756 250 HD1 HIS 35 HD1 HIS 35 10.076 -1.824 7.490 251 HD2 HIS 35 HD2 HIS 35 6.769 -1.545 4.925 252 HE1 HIS 35 HE1 HIS 35 10.657 -0.034 5.767 253 HA PRO 36 HA PRO 36 9.290 -1.105 11.628 254 1HB PRO 36 1HB PRO 36 10.998 -3.026 12.554 255 2HB PRO 36 2HB PRO 36 9.408 -2.749 13.235 256 1HG PRO 36 1HG PRO 36 10.311 -4.940 11.468 257 2HG PRO 36 2HG PRO 36 8.887 -4.867 12.486 258 1HD PRO 36 1HD PRO 36 8.980 -4.534 9.639 259 2HD PRO 36 2HD PRO 36 7.576 -4.347 10.671 260 H VAL 37 H VAL 37 10.378 0.444 10.557 261 HA VAL 37 HA VAL 37 12.465 -0.449 8.772 262 HB VAL 37 HB VAL 37 11.512 2.317 9.542 263 1HG1 VAL 37 1HG1 VAL 37 13.892 1.726 8.375 264 2HG1 VAL 37 2HG1 VAL 37 12.848 1.844 6.938 265 3HG1 VAL 37 3HG1 VAL 37 12.972 3.218 8.063 266 1HG2 VAL 37 2HG2 VAL 37 10.284 0.292 7.928 267 2HG2 VAL 37 3HG2 VAL 37 9.731 1.952 8.253 268 3HG2 VAL 37 1HG2 VAL 37 10.806 1.627 6.872 269 H ASN 38 H ASN 38 14.057 -1.402 10.091 270 HA ASN 38 HA ASN 38 15.867 -1.423 11.286 271 1HB ASN 38 1HB ASN 38 15.630 1.441 10.589 272 2HB ASN 38 2HB ASN 38 16.466 1.215 12.112 273 1HD2 ASN 38 2HD2 ASN 38 18.843 1.134 9.191 274 2HD2 ASN 38 1HD2 ASN 38 17.592 2.209 9.721 275 H GLY 39 H GLY 39 14.612 1.644 12.752 276 1HA GLY 39 1HA GLY 39 13.885 0.133 15.188 277 2HA GLY 39 2HA GLY 39 14.850 1.595 15.252 278 H LYS 40 H LYS 40 12.752 1.919 12.618 279 HA LYS 40 HA LYS 40 11.020 3.634 14.202 280 1HB LYS 40 1HB LYS 40 11.147 3.381 11.189 281 2HB LYS 40 2HB LYS 40 10.444 4.682 12.129 282 1HG LYS 40 1HG LYS 40 12.459 5.712 12.412 283 2HG LYS 40 2HG LYS 40 13.251 4.219 12.876 284 1HD LYS 40 1HD LYS 40 13.826 3.665 10.662 285 2HD LYS 40 2HD LYS 40 12.513 4.597 9.972 286 1HE LYS 40 1HE LYS 40 14.930 5.553 9.750 287 2HE LYS 40 2HE LYS 40 13.657 6.658 10.227 288 1HZ LYS 40 1HZ LYS 40 14.325 6.228 12.579 289 2HZ LYS 40 2HZ LYS 40 15.583 5.335 12.059 290 H GLU 41 H GLU 41 8.791 3.365 14.394 291 HA GLU 41 HA GLU 41 7.270 1.697 12.862 292 1HB GLU 41 1HB GLU 41 8.941 0.076 14.302 293 2HB GLU 41 2HB GLU 41 7.602 0.200 15.425 294 1HG GLU 41 1HG GLU 41 6.391 -0.192 12.887 295 2HG GLU 41 2HG GLU 41 7.766 -1.278 12.902 296 H ASP 42 H ASP 42 6.547 4.062 13.551 297 HA ASP 42 HA ASP 42 4.784 3.682 15.839 298 1HB ASP 42 1HB ASP 42 5.022 6.253 16.114 299 2HB ASP 42 2HB ASP 42 6.348 5.252 16.671 300 H TYR 43 H TYR 43 3.936 3.008 13.285 301 HA TYR 43 HA TYR 43 2.581 3.498 11.581 302 1HB TYR 43 1HB TYR 43 1.306 5.480 13.539 303 2HB TYR 43 2HB TYR 43 0.479 4.418 12.417 304 HD1 TYR 43 HD1 TYR 43 2.139 1.889 13.162 305 HD2 TYR 43 HD2 TYR 43 0.075 4.821 15.496 306 HE1 TYR 43 HE1 TYR 43 1.810 0.187 15.022 307 HE2 TYR 43 HE2 TYR 43 -0.247 3.110 17.348 308 HH TYR 43 HH TYR 43 -0.321 0.278 17.188 309 H ARG 44 H ARG 44 3.806 4.596 10.032 310 HA ARG 44 HA ARG 44 3.442 7.477 10.133 311 1HB ARG 44 1HB ARG 44 5.938 6.046 10.242 312 2HB ARG 44 2HB ARG 44 5.858 6.805 8.664 313 1HG ARG 44 1HG ARG 44 5.380 9.005 9.724 314 2HG ARG 44 2HG ARG 44 5.390 8.260 11.310 315 1HD ARG 44 1HD ARG 44 7.838 7.442 10.172 316 2HD ARG 44 2HD ARG 44 7.662 9.099 9.632 317 HE ARG 44 HE ARG 44 7.113 8.648 12.499 318 1HH1 ARG 44 2HH2 ARG 44 9.499 9.608 10.063 319 2HH1 ARG 44 1HH2 ARG 44 10.517 10.425 11.202 320 HH2 ARG 44 HH1 ARG 44 9.883 10.482 13.512 321 H LYS 45 H LYS 45 3.901 8.449 7.800 322 HA LYS 45 HA LYS 45 2.262 6.951 5.993 323 1HB LYS 45 1HB LYS 45 3.581 9.668 5.901 324 2HB LYS 45 2HB LYS 45 2.744 8.997 4.516 325 1HG LYS 45 1HG LYS 45 0.905 9.993 5.462 326 2HG LYS 45 2HG LYS 45 0.856 8.537 6.437 327 1HD LYS 45 1HD LYS 45 1.223 9.746 8.317 328 2HD LYS 45 2HD LYS 45 2.739 10.340 7.668 329 1HE LYS 45 1HE LYS 45 0.400 11.661 6.436 330 2HE LYS 45 2HE LYS 45 0.445 11.877 8.174 331 1HZ LYS 45 1HZ LYS 45 2.252 13.205 7.997 332 2HZ LYS 45 2HZ LYS 45 3.017 12.247 6.926 333 H CYS 46 H CYS 46 2.873 5.759 4.225 334 HA CYS 46 HA CYS 46 5.466 4.780 4.138 335 1HB CYS 46 1HB CYS 46 3.663 4.719 1.741 336 2HB CYS 46 2HB CYS 46 4.797 3.510 2.307 337 H GLY 47 H GLY 47 3.705 7.156 2.020 338 1HA GLY 47 1HA GLY 47 6.025 7.776 0.467 339 2HA GLY 47 2HA GLY 47 4.477 8.598 0.458 340 H THR 48 H THR 48 7.008 8.018 3.011 341 HA THR 48 HA THR 48 6.797 10.858 3.701 342 HB THR 48 HB THR 48 7.569 8.294 5.117 343 HG1 THR 48 HG1 THR 48 5.432 9.216 5.323 344 1HG2 THR 48 2HG2 THR 48 8.825 10.960 5.519 345 2HG2 THR 48 3HG2 THR 48 8.014 10.327 6.971 346 3HG2 THR 48 1HG2 THR 48 9.298 9.378 6.185 347 H ALA 49 H ALA 49 8.405 12.305 3.404 348 HA ALA 49 HA ALA 49 10.399 11.783 1.572 349 1HB ALA 49 1HB ALA 49 9.551 13.944 3.353 350 2HB ALA 49 2HB ALA 49 11.319 13.905 3.147 351 3HB ALA 49 3HB ALA 49 10.259 14.027 1.722 352 H GLY 50 H GLY 50 12.033 10.332 1.747 353 1HA GLY 50 1HA GLY 50 14.209 10.031 2.774 354 2HA GLY 50 2HA GLY 50 13.447 10.208 4.343 355 H CYS 51 H CYS 51 11.017 8.631 3.032 356 HA CYS 51 HA CYS 51 12.174 6.029 3.668 357 1HB CYS 51 1HB CYS 51 9.305 7.012 3.710 358 2HB CYS 51 2HB CYS 51 9.759 5.335 3.940 359 H HIS 52 H HIS 52 9.138 6.532 1.868 360 HA HIS 52 HA HIS 52 10.424 5.271 -0.434 361 1HB HIS 52 1HB HIS 52 7.542 5.308 0.494 362 2HB HIS 52 2HB HIS 52 8.047 4.681 -1.063 363 HD1 HIS 52 HD1 HIS 52 9.953 2.656 -0.873 364 HD2 HIS 52 HD2 HIS 52 7.590 3.447 2.501 365 HE1 HIS 52 HE1 HIS 52 10.116 0.589 0.613 366 H ASP 53 H ASP 53 11.310 7.546 -0.833 367 HA ASP 53 HA ASP 53 9.286 8.999 -2.342 368 1HB ASP 53 1HB ASP 53 10.256 10.029 -0.085 369 2HB ASP 53 2HB ASP 53 11.656 10.394 -1.073 370 H SER 54 H SER 54 10.211 7.595 -4.142 371 HA SER 54 HA SER 54 12.867 8.507 -4.923 372 1HB SER 54 1HB SER 54 12.406 5.995 -4.516 373 2HB SER 54 2HB SER 54 11.433 6.038 -5.974 374 HG SER 54 HG SER 54 13.218 5.946 -7.142 375 H MET 55 H MET 55 9.450 8.460 -5.668 376 HA MET 55 HA MET 55 8.265 9.048 -7.415 377 1HB MET 55 1HB MET 55 10.383 11.116 -6.983 378 2HB MET 55 2HB MET 55 9.591 11.231 -8.541 379 1HG MET 55 1HG MET 55 8.226 12.578 -7.148 380 2HG MET 55 2HG MET 55 7.347 11.064 -7.211 381 1HE MET 55 1HE MET 55 7.595 9.185 -5.536 382 2HE MET 55 2HE MET 55 7.490 9.590 -3.806 383 3HE MET 55 3HE MET 55 6.299 10.254 -4.950 384 H ASP 56 H ASP 56 10.107 6.924 -8.061 385 HA ASP 56 HA ASP 56 10.398 7.509 -10.888 386 1HB ASP 56 1HB ASP 56 12.598 7.424 -9.285 387 2HB ASP 56 2HB ASP 56 12.432 5.708 -9.601 388 H LYS 57 H LYS 57 8.434 6.218 -11.182 389 HA LYS 57 HA LYS 57 7.999 3.746 -9.998 390 1HB LYS 57 1HB LYS 57 6.164 4.882 -10.959 391 2HB LYS 57 2HB LYS 57 6.963 5.065 -12.507 392 1HG LYS 57 1HG LYS 57 6.735 2.238 -11.648 393 2HG LYS 57 2HG LYS 57 5.181 3.026 -11.831 394 1HD LYS 57 1HD LYS 57 6.832 3.807 -14.067 395 2HD LYS 57 2HD LYS 57 6.954 2.068 -13.896 396 1HE LYS 57 1HE LYS 57 4.971 1.960 -15.014 397 2HE LYS 57 2HE LYS 57 4.225 2.497 -13.522 398 1HZ LYS 57 1HZ LYS 57 3.686 4.406 -14.545 399 2HZ LYS 57 2HZ LYS 57 5.245 4.751 -14.867 400 H LYS 58 H LYS 58 9.151 4.433 -13.381 401 HA LYS 58 HA LYS 58 9.915 1.724 -13.749 402 1HB LYS 58 1HB LYS 58 10.262 4.273 -15.323 403 2HB LYS 58 2HB LYS 58 11.054 2.792 -15.821 404 1HG LYS 58 1HG LYS 58 8.661 1.705 -15.537 405 2HG LYS 58 2HG LYS 58 8.081 3.357 -15.602 406 1HD LYS 58 1HD LYS 58 9.840 3.316 -17.744 407 2HD LYS 58 2HD LYS 58 9.237 1.670 -17.765 408 1HE LYS 58 1HE LYS 58 6.917 2.445 -17.896 409 2HE LYS 58 2HE LYS 58 7.402 4.107 -17.626 410 1HZ LYS 58 1HZ LYS 58 8.871 3.527 -19.774 411 2HZ LYS 58 2HZ LYS 58 7.617 2.527 -20.060 412 H ASP 59 H ASP 59 11.106 1.804 -11.527 413 HA ASP 59 HA ASP 59 13.884 2.132 -12.204 414 1HB ASP 59 1HB ASP 59 12.765 4.194 -10.875 415 2HB ASP 59 2HB ASP 59 13.011 3.141 -9.497 416 H LYS 60 H LYS 60 11.384 1.322 -9.693 417 HA LYS 60 HA LYS 60 11.051 -0.635 -8.644 418 1HB LYS 60 1HB LYS 60 12.752 -1.510 -10.593 419 2HB LYS 60 2HB LYS 60 13.697 -1.855 -9.158 420 1HG LYS 60 1HG LYS 60 12.340 -3.582 -8.565 421 2HG LYS 60 2HG LYS 60 10.897 -2.604 -8.742 422 1HD LYS 60 1HD LYS 60 12.254 -3.454 -11.283 423 2HD LYS 60 2HD LYS 60 11.460 -4.716 -10.362 424 1HE LYS 60 1HE LYS 60 9.362 -3.935 -10.859 425 2HE LYS 60 2HE LYS 60 9.817 -2.263 -10.603 426 1HZ LYS 60 1HZ LYS 60 10.980 -3.481 -12.967 427 2HZ LYS 60 2HZ LYS 60 9.361 -3.311 -13.026 428 H SER 61 H SER 61 13.329 -2.052 -7.224 429 HA SER 61 HA SER 61 14.554 -1.863 -5.433 430 1HB SER 61 1HB SER 61 14.921 0.731 -6.642 431 2HB SER 61 2HB SER 61 14.781 0.958 -4.910 432 HG SER 61 HG SER 61 16.631 -0.794 -6.287 433 H ALA 62 H ALA 62 14.449 -0.867 -3.055 434 HA ALA 62 HA ALA 62 11.738 -1.094 -2.244 435 1HB ALA 62 2HB ALA 62 13.899 -1.847 -1.042 436 2HB ALA 62 3HB ALA 62 14.061 -0.146 -0.543 437 3HB ALA 62 1HB ALA 62 12.631 -1.086 -0.051 438 H LYS 63 H LYS 63 14.010 1.569 -2.903 439 HA LYS 63 HA LYS 63 12.571 3.564 -1.548 440 1HB LYS 63 1HB LYS 63 14.660 3.546 -3.718 441 2HB LYS 63 2HB LYS 63 13.885 5.044 -3.244 442 1HG LYS 63 1HG LYS 63 14.470 4.260 -0.778 443 2HG LYS 63 2HG LYS 63 15.622 3.206 -1.572 444 1HD LYS 63 1HD LYS 63 16.596 5.212 -2.756 445 2HD LYS 63 2HD LYS 63 15.482 6.243 -1.881 446 1HE LYS 63 1HE LYS 63 16.475 5.171 0.286 447 2HE LYS 63 2HE LYS 63 17.756 4.568 -0.746 448 1HZ LYS 63 1HZ LYS 63 17.108 7.372 -0.121 449 2HZ LYS 63 2HZ LYS 63 18.557 6.631 -0.069 450 H GLY 64 H GLY 64 11.947 1.754 -4.447 451 1HA GLY 64 1HA GLY 64 10.446 3.712 -5.858 452 2HA GLY 64 2HA GLY 64 10.436 1.977 -6.106 453 H TYR 65 H TYR 65 8.964 4.699 -4.347 454 HA TYR 65 HA TYR 65 7.320 3.409 -2.588 455 1HB TYR 65 1HB TYR 65 7.522 5.863 -2.787 456 2HB TYR 65 2HB TYR 65 7.023 5.824 -4.466 457 HD1 TYR 65 HD1 TYR 65 5.747 5.076 -1.025 458 HD2 TYR 65 HD2 TYR 65 4.790 6.248 -5.027 459 HE1 TYR 65 HE1 TYR 65 3.343 5.521 -0.327 460 HE2 TYR 65 HE2 TYR 65 2.390 6.689 -4.316 461 HH TYR 65 HH TYR 65 1.377 7.327 -1.697 462 H TYR 66 H TYR 66 6.949 3.805 -6.140 463 HA TYR 66 HA TYR 66 4.294 2.711 -6.114 464 1HB TYR 66 1HB TYR 66 4.890 4.304 -7.852 465 2HB TYR 66 2HB TYR 66 6.458 3.561 -8.102 466 HD1 TYR 66 HD1 TYR 66 6.601 1.349 -9.314 467 HD2 TYR 66 HD2 TYR 66 2.975 3.608 -9.096 468 HE1 TYR 66 HE1 TYR 66 5.657 0.036 -11.276 469 HE2 TYR 66 HE2 TYR 66 2.042 2.287 -11.058 470 HH TYR 66 HH TYR 66 4.043 -0.114 -12.728 471 H HIS 67 H HIS 67 7.220 1.307 -5.466 472 HA HIS 67 HA HIS 67 6.554 -1.114 -6.969 473 1HB HIS 67 1HB HIS 67 8.700 -0.897 -7.581 474 2HB HIS 67 2HB HIS 67 9.066 0.228 -6.287 475 HD1 HIS 67 HD1 HIS 67 9.664 -3.207 -7.361 476 HD2 HIS 67 HD2 HIS 67 9.549 -1.169 -3.696 477 HE1 HIS 67 HE1 HIS 67 10.869 -4.697 -5.677 478 H VAL 68 H VAL 68 6.035 0.351 -4.024 479 HA VAL 68 HA VAL 68 6.210 -2.210 -2.593 480 HB VAL 68 HB VAL 68 5.997 -0.585 -0.578 481 1HG1 VAL 68 3HG1 VAL 68 8.023 -1.979 -1.488 482 2HG1 VAL 68 1HG1 VAL 68 8.650 -0.387 -1.980 483 3HG1 VAL 68 2HG1 VAL 68 8.291 -0.711 -0.268 484 1HG2 VAL 68 2HG2 VAL 68 5.499 1.433 -1.889 485 2HG2 VAL 68 3HG2 VAL 68 6.995 1.627 -0.944 486 3HG2 VAL 68 1HG2 VAL 68 7.082 1.307 -2.693 487 H MET 69 H MET 69 4.120 -0.537 -4.436 488 HA MET 69 HA MET 69 1.906 -1.097 -2.616 489 1HB MET 69 1HB MET 69 2.491 1.180 -4.510 490 2HB MET 69 2HB MET 69 0.820 0.660 -4.421 491 1HG MET 69 1HG MET 69 0.592 1.888 -2.525 492 2HG MET 69 2HG MET 69 1.683 0.778 -1.719 493 1HE MET 69 2HE MET 69 3.582 1.622 -0.501 494 2HE MET 69 3HE MET 69 4.021 3.347 -0.494 495 3HE MET 69 1HE MET 69 2.351 2.852 -0.128 496 H HIS 70 H HIS 70 3.548 -2.058 -5.411 497 HA HIS 70 HA HIS 70 1.145 -3.431 -6.345 498 1HB HIS 70 1HB HIS 70 3.229 -2.280 -8.212 499 2HB HIS 70 2HB HIS 70 1.720 -3.058 -8.646 500 HD1 HIS 70 HD1 HIS 70 3.091 0.174 -7.230 501 HD2 HIS 70 HD2 HIS 70 -0.555 -1.417 -8.561 502 HE1 HIS 70 HE1 HIS 70 1.474 2.140 -7.402 503 H ASP 71 H ASP 71 4.735 -3.242 -6.929 504 HA ASP 71 HA ASP 71 5.245 -5.675 -7.751 505 1HB ASP 71 1HB ASP 71 6.771 -3.662 -6.761 506 2HB ASP 71 2HB ASP 71 6.930 -4.781 -5.421 507 H LYS 72 H LYS 72 5.510 -7.818 -6.839 508 HA LYS 72 HA LYS 72 4.369 -8.097 -4.148 509 1HB LYS 72 1HB LYS 72 4.418 -10.264 -6.247 510 2HB LYS 72 2HB LYS 72 3.426 -10.155 -4.807 511 1HG LYS 72 1HG LYS 72 2.238 -8.178 -5.758 512 2HG LYS 72 2HG LYS 72 3.247 -8.249 -7.189 513 1HD LYS 72 1HD LYS 72 2.389 -10.722 -7.415 514 2HD LYS 72 2HD LYS 72 1.145 -10.245 -6.276 515 1HE LYS 72 1HE LYS 72 0.088 -8.838 -7.793 516 2HE LYS 72 2HE LYS 72 1.583 -8.382 -8.584 517 1HZ LYS 72 1HZ LYS 72 0.061 -9.897 -9.894 518 2HZ LYS 72 2HZ LYS 72 1.600 -10.419 -9.788 519 H ASN 73 H ASN 73 7.105 -8.704 -6.296 520 HA ASN 73 HA ASN 73 8.271 -10.641 -4.598 521 1HB ASN 73 1HB ASN 73 8.671 -10.112 -7.176 522 2HB ASN 73 2HB ASN 73 9.829 -8.939 -6.580 523 1HD2 ASN 73 2HD2 ASN 73 11.613 -12.117 -7.251 524 2HD2 ASN 73 1HD2 ASN 73 10.668 -10.971 -8.142 525 H THR 74 H THR 74 7.764 -8.901 -2.705 526 HA THR 74 HA THR 74 10.214 -7.302 -2.361 527 HB THR 74 HB THR 74 8.734 -5.661 -1.150 528 HG1 THR 74 HG1 THR 74 6.906 -6.821 -0.562 529 1HG2 THR 74 2HG2 THR 74 8.819 -6.063 -3.963 530 2HG2 THR 74 3HG2 THR 74 7.095 -5.858 -3.572 531 3HG2 THR 74 1HG2 THR 74 8.266 -4.596 -3.119 532 H LYS 75 H LYS 75 10.964 -7.047 -0.158 533 HA LYS 75 HA LYS 75 10.878 -9.490 1.221 534 1HB LYS 75 1HB LYS 75 12.825 -8.034 1.256 535 2HB LYS 75 2HB LYS 75 11.909 -6.757 2.032 536 1HG LYS 75 1HG LYS 75 11.555 -9.157 3.593 537 2HG LYS 75 2HG LYS 75 13.267 -8.988 3.263 538 1HD LYS 75 1HD LYS 75 12.789 -6.425 3.932 539 2HD LYS 75 2HD LYS 75 11.434 -7.137 4.785 540 1HE LYS 75 1HE LYS 75 13.896 -8.679 5.234 541 2HE LYS 75 2HE LYS 75 14.111 -7.000 5.685 542 1HZ LYS 75 1HZ LYS 75 11.674 -7.584 6.726 543 2HZ LYS 75 2HZ LYS 75 12.456 -8.996 6.940 544 H PHE 76 H PHE 76 8.873 -6.598 1.281 545 HA PHE 76 HA PHE 76 7.514 -7.673 3.661 546 1HB PHE 76 1HB PHE 76 7.767 -4.870 2.402 547 2HB PHE 76 2HB PHE 76 6.736 -5.205 3.780 548 HD1 PHE 76 HD2 PHE 76 7.922 -6.250 5.883 549 HD2 PHE 76 HD1 PHE 76 9.972 -4.179 2.750 550 HE1 PHE 76 HE2 PHE 76 9.879 -5.810 7.445 551 HE2 PHE 76 HE1 PHE 76 11.922 -3.746 4.323 552 HZ PHE 76 HZ PHE 76 11.786 -4.641 6.699 553 H LYS 77 H LYS 77 5.148 -7.480 3.701 554 HA LYS 77 HA LYS 77 4.010 -8.327 1.282 555 1HB LYS 77 1HB LYS 77 2.948 -7.566 3.992 556 2HB LYS 77 2HB LYS 77 1.839 -7.863 2.669 557 1HG LYS 77 1HG LYS 77 4.011 -9.895 3.015 558 2HG LYS 77 2HG LYS 77 2.822 -9.833 4.300 559 1HD LYS 77 1HD LYS 77 1.006 -9.948 2.486 560 2HD LYS 77 2HD LYS 77 2.283 -10.263 1.328 561 1HE LYS 77 1HE LYS 77 2.164 -11.960 3.828 562 2HE LYS 77 2HE LYS 77 1.002 -12.272 2.554 563 1HZ LYS 77 1HZ LYS 77 2.645 -12.994 1.145 564 2HZ LYS 77 2HZ LYS 77 3.795 -12.001 1.732 565 H SER 78 H SER 78 3.312 -7.203 -0.454 566 HA SER 78 HA SER 78 3.232 -4.330 -0.162 567 1HB SER 78 1HB SER 78 4.275 -4.471 -2.162 568 2HB SER 78 2HB SER 78 3.952 -6.190 -2.270 569 HG SER 78 HG SER 78 2.842 -5.373 -3.996 570 H CYS 79 H CYS 79 1.403 -3.120 -1.298 571 HA CYS 79 HA CYS 79 -1.018 -3.794 -0.280 572 1HB CYS 79 1HB CYS 79 -0.561 -2.247 -2.838 573 2HB CYS 79 2HB CYS 79 -1.990 -2.189 -1.826 574 H VAL 80 H VAL 80 -0.092 -4.080 -3.797 575 HA VAL 80 HA VAL 80 -2.268 -5.732 -4.423 576 HB VAL 80 HB VAL 80 0.383 -5.254 -5.795 577 1HG1 VAL 80 3HG1 VAL 80 -0.652 -7.371 -6.541 578 2HG1 VAL 80 1HG1 VAL 80 -2.149 -6.490 -6.931 579 3HG1 VAL 80 2HG1 VAL 80 -0.650 -6.136 -7.823 580 1HG2 VAL 80 1HG2 VAL 80 -1.196 -3.290 -5.382 581 2HG2 VAL 80 2HG2 VAL 80 -0.708 -3.583 -7.068 582 3HG2 VAL 80 3HG2 VAL 80 -2.319 -4.091 -6.507 583 H GLY 81 H GLY 81 1.079 -6.362 -3.312 584 1HA GLY 81 1HA GLY 81 1.344 -9.037 -3.878 585 2HA GLY 81 2HA GLY 81 2.019 -8.227 -2.477 586 H CYS 82 H CYS 82 0.080 -7.628 -0.763 587 HA CYS 82 HA CYS 82 -0.713 -10.102 0.242 588 1HB CYS 82 1HB CYS 82 -0.308 -8.110 1.644 589 2HB CYS 82 2HB CYS 82 -1.725 -7.333 0.968 590 H HIS 83 H HIS 83 -2.428 -7.476 -1.564 591 HA HIS 83 HA HIS 83 -4.974 -8.479 -1.424 592 1HB HIS 83 1HB HIS 83 -3.500 -6.803 -3.437 593 2HB HIS 83 2HB HIS 83 -5.142 -7.316 -3.770 594 HD1 HIS 83 HD1 HIS 83 -5.969 -4.832 -3.623 595 HD2 HIS 83 HD2 HIS 83 -4.312 -6.332 -0.074 596 HE1 HIS 83 HE1 HIS 83 -6.600 -3.179 -1.785 597 H VAL 84 H VAL 84 -2.301 -9.292 -3.709 598 HA VAL 84 HA VAL 84 -3.766 -10.931 -5.395 599 HB VAL 84 HB VAL 84 -0.866 -11.009 -4.543 600 1HG1 VAL 84 3HG1 VAL 84 -2.237 -12.379 -6.881 601 2HG1 VAL 84 1HG1 VAL 84 -0.476 -12.252 -6.658 602 3HG1 VAL 84 2HG1 VAL 84 -1.457 -13.167 -5.488 603 1HG2 VAL 84 1HG2 VAL 84 -2.309 -9.112 -6.038 604 2HG2 VAL 84 2HG2 VAL 84 -0.542 -9.260 -5.890 605 3HG2 VAL 84 3HG2 VAL 84 -1.393 -10.065 -7.230 606 H GLU 85 H GLU 85 -2.291 -11.529 -2.185 607 HA GLU 85 HA GLU 85 -2.748 -14.315 -2.330 608 1HB GLU 85 1HB GLU 85 -1.639 -12.373 -0.390 609 2HB GLU 85 2HB GLU 85 -2.477 -13.710 0.371 610 1HG GLU 85 1HG GLU 85 -0.869 -14.765 -1.792 611 2HG GLU 85 2HG GLU 85 0.139 -13.707 -0.826 612 H VAL 86 H VAL 86 -4.536 -11.454 -1.174 613 HA VAL 86 HA VAL 86 -6.467 -12.958 0.280 614 HB VAL 86 HB VAL 86 -6.468 -10.126 -0.781 615 1HG1 VAL 86 2HG1 VAL 86 -8.747 -10.893 -0.336 616 2HG1 VAL 86 3HG1 VAL 86 -8.264 -11.442 1.286 617 3HG1 VAL 86 1HG1 VAL 86 -8.236 -9.707 0.889 618 1HG2 VAL 86 2HG2 VAL 86 -4.683 -10.981 0.950 619 2HG2 VAL 86 3HG2 VAL 86 -5.511 -9.425 1.204 620 3HG2 VAL 86 1HG2 VAL 86 -6.039 -10.871 2.098 621 H ALA 87 H ALA 87 -6.457 -11.241 -2.923 622 HA ALA 87 HA ALA 87 -9.025 -12.141 -3.630 623 1HB ALA 87 2HB ALA 87 -7.406 -10.225 -4.542 624 2HB ALA 87 3HB ALA 87 -6.941 -11.500 -5.694 625 3HB ALA 87 1HB ALA 87 -8.638 -10.974 -5.587 626 H GLY 88 H GLY 88 -5.748 -13.519 -3.874 627 1HA GLY 88 1HA GLY 88 -4.994 -15.485 -4.675 628 2HA GLY 88 2HA GLY 88 -6.500 -16.137 -4.061 629 H ALA 89 H ALA 89 -8.122 -16.794 -5.484 630 HA ALA 89 HA ALA 89 -7.756 -16.069 -8.298 631 1HB ALA 89 3HB ALA 89 -8.027 -18.852 -7.107 632 2HB ALA 89 1HB ALA 89 -8.337 -18.495 -8.823 633 3HB ALA 89 2HB ALA 89 -6.718 -18.223 -8.136 634 H ASP 90 H ASP 90 -9.482 -14.543 -7.176 635 HA ASP 90 HA ASP 90 -12.036 -15.942 -7.272 636 1HB ASP 90 1HB ASP 90 -11.636 -14.851 -5.117 637 2HB ASP 90 2HB ASP 90 -11.183 -13.352 -5.904 638 H ALA 91 H ALA 91 -9.895 -13.911 -8.967 639 HA ALA 91 HA ALA 91 -10.076 -12.717 -10.823 640 1HB ALA 91 2HB ALA 91 -12.563 -14.290 -10.776 641 2HB ALA 91 3HB ALA 91 -12.713 -12.769 -11.689 642 3HB ALA 91 1HB ALA 91 -11.453 -13.949 -12.125 643 H ALA 92 H ALA 92 -13.412 -12.208 -9.488 644 HA ALA 92 HA ALA 92 -13.628 -9.570 -9.915 645 1HB ALA 92 2HB ALA 92 -14.734 -11.533 -8.018 646 2HB ALA 92 3HB ALA 92 -14.795 -9.858 -7.418 647 3HB ALA 92 1HB ALA 92 -15.558 -10.276 -8.971 648 H LYS 93 H LYS 93 -12.293 -11.017 -6.853 649 HA LYS 93 HA LYS 93 -11.450 -8.533 -5.850 650 1HB LYS 93 1HB LYS 93 -10.899 -11.412 -5.167 651 2HB LYS 93 2HB LYS 93 -9.993 -10.134 -4.383 652 1HG LYS 93 1HG LYS 93 -12.091 -9.068 -3.611 653 2HG LYS 93 2HG LYS 93 -13.045 -10.255 -4.478 654 1HD LYS 93 1HD LYS 93 -11.158 -11.670 -2.802 655 2HD LYS 93 2HD LYS 93 -11.948 -10.451 -1.822 656 1HE LYS 93 1HE LYS 93 -13.711 -11.874 -1.647 657 2HE LYS 93 2HE LYS 93 -14.060 -11.531 -3.330 658 1HZ LYS 93 1HZ LYS 93 -12.815 -13.888 -2.184 659 2HZ LYS 93 2HZ LYS 93 -13.717 -13.757 -3.534 660 H LYS 94 H LYS 94 -10.014 -10.921 -8.058 661 HA LYS 94 HA LYS 94 -7.375 -9.936 -7.857 662 1HB LYS 94 1HB LYS 94 -8.131 -12.210 -8.692 663 2HB LYS 94 2HB LYS 94 -8.618 -11.427 -10.182 664 1HG LYS 94 1HG LYS 94 -5.895 -10.645 -9.351 665 2HG LYS 94 2HG LYS 94 -6.046 -12.376 -9.575 666 1HD LYS 94 1HD LYS 94 -7.430 -11.306 -11.779 667 2HD LYS 94 2HD LYS 94 -6.065 -10.223 -11.588 668 1HE LYS 94 1HE LYS 94 -5.484 -13.166 -11.394 669 2HE LYS 94 2HE LYS 94 -5.910 -12.553 -12.979 670 1HZ LYS 94 1HZ LYS 94 -3.694 -12.068 -13.006 671 2HZ LYS 94 2HZ LYS 94 -4.139 -10.712 -12.222 672 H LYS 95 H LYS 95 -10.229 -8.521 -9.019 673 HA LYS 95 HA LYS 95 -8.635 -6.715 -10.698 674 1HB LYS 95 1HB LYS 95 -10.482 -8.408 -11.728 675 2HB LYS 95 2HB LYS 95 -11.517 -7.048 -11.338 676 1HG LYS 95 1HG LYS 95 -10.351 -5.569 -12.775 677 2HG LYS 95 2HG LYS 95 -8.892 -6.540 -12.761 678 1HD LYS 95 1HD LYS 95 -11.214 -8.024 -13.825 679 2HD LYS 95 2HD LYS 95 -10.878 -6.570 -14.744 680 1HE LYS 95 1HE LYS 95 -8.355 -7.414 -14.623 681 2HE LYS 95 2HE LYS 95 -9.087 -8.969 -14.278 682 1HZ LYS 95 1HZ LYS 95 -10.503 -7.953 -16.425 683 2HZ LYS 95 2HZ LYS 95 -8.949 -7.609 -16.771 684 H ASP 96 H ASP 96 -10.320 -7.171 -7.836 685 HA ASP 96 HA ASP 96 -11.214 -4.399 -7.844 686 1HB ASP 96 1HB ASP 96 -12.320 -6.890 -6.773 687 2HB ASP 96 2HB ASP 96 -12.128 -5.711 -5.491 688 H LEU 97 H LEU 97 -9.018 -6.813 -6.533 689 HA LEU 97 HA LEU 97 -8.206 -4.954 -4.411 690 1HB LEU 97 1HB LEU 97 -7.956 -7.950 -4.660 691 2HB LEU 97 2HB LEU 97 -7.086 -7.012 -3.462 692 HG LEU 97 HG LEU 97 -10.084 -7.345 -3.710 693 1HD1 LEU 97 3HD1 LEU 97 -8.303 -9.009 -2.534 694 2HD1 LEU 97 1HD1 LEU 97 -8.668 -7.916 -1.177 695 3HD1 LEU 97 2HD1 LEU 97 -9.984 -8.796 -1.991 696 1HD2 LEU 97 3HD2 LEU 97 -8.537 -5.192 -2.461 697 2HD2 LEU 97 1HD2 LEU 97 -10.268 -5.286 -2.864 698 3HD2 LEU 97 2HD2 LEU 97 -9.667 -5.999 -1.348 699 H THR 98 H THR 98 -7.274 -6.722 -7.339 700 HA THR 98 HA THR 98 -4.686 -5.325 -7.222 701 HB THR 98 HB THR 98 -3.589 -7.332 -8.013 702 HG1 THR 98 HG1 THR 98 -5.166 -8.094 -9.495 703 1HG2 THR 98 2HG2 THR 98 -5.745 -8.154 -5.997 704 2HG2 THR 98 3HG2 THR 98 -4.324 -9.141 -6.415 705 3HG2 THR 98 1HG2 THR 98 -4.110 -7.573 -5.600 706 H GLY 99 H GLY 99 -7.436 -4.768 -8.453 707 1HA GLY 99 1HA GLY 99 -7.124 -5.136 -11.266 708 2HA GLY 99 2HA GLY 99 -8.298 -4.129 -10.441 709 H CYS 100 H CYS 100 -6.481 -3.641 -12.856 710 HA CYS 100 HA CYS 100 -4.662 -1.637 -11.903 711 1HB CYS 100 1HB CYS 100 -5.334 -2.833 -14.561 712 2HB CYS 100 2HB CYS 100 -4.543 -1.270 -14.518 713 H LYS 101 H LYS 101 -7.664 -1.825 -13.953 714 HA LYS 101 HA LYS 101 -8.216 0.943 -13.149 715 1HB LYS 101 1HB LYS 101 -7.437 1.061 -15.414 716 2HB LYS 101 2HB LYS 101 -8.447 -0.283 -15.907 717 1HG LYS 101 1HG LYS 101 -10.228 1.576 -14.702 718 2HG LYS 101 2HG LYS 101 -9.137 2.550 -15.667 719 1HD LYS 101 1HD LYS 101 -9.688 0.400 -17.365 720 2HD LYS 101 2HD LYS 101 -11.217 0.630 -16.539 721 1HE LYS 101 1HE LYS 101 -11.322 2.973 -17.215 722 2HE LYS 101 2HE LYS 101 -9.678 2.933 -17.821 723 1HZ LYS 101 1HZ LYS 101 -10.626 1.048 -19.335 724 2HZ LYS 101 2HZ LYS 101 -12.076 1.714 -19.009 725 H LYS 102 H LYS 102 -10.248 1.301 -12.346 726 HA LYS 102 HA LYS 102 -12.373 0.935 -11.816 727 1HB LYS 102 1HB LYS 102 -12.495 0.037 -14.238 728 2HB LYS 102 2HB LYS 102 -12.465 -1.558 -13.514 729 1HG LYS 102 1HG LYS 102 -14.671 -1.398 -13.028 730 2HG LYS 102 2HG LYS 102 -14.360 0.001 -12.019 731 1HD LYS 102 1HD LYS 102 -14.334 0.537 -14.958 732 2HD LYS 102 2HD LYS 102 -15.889 0.055 -14.307 733 1HE LYS 102 1HE LYS 102 -16.134 2.249 -13.726 734 2HE LYS 102 2HE LYS 102 -15.047 1.885 -12.401 735 1HZ LYS 102 1HZ LYS 102 -14.316 3.793 -13.799 736 2HZ LYS 102 2HZ LYS 102 -13.189 2.620 -13.731 737 H SER 103 H SER 103 -10.477 0.333 -10.016 738 HA SER 103 HA SER 103 -11.468 -2.178 -8.919 739 1HB SER 103 1HB SER 103 -8.984 -1.972 -7.771 740 2HB SER 103 2HB SER 103 -9.339 -2.942 -9.187 741 HG SER 103 HG SER 103 -8.551 -0.163 -9.352 742 H LYS 104 H LYS 104 -10.363 -2.078 -6.374 743 HA LYS 104 HA LYS 104 -11.910 0.010 -5.199 744 1HB LYS 104 1HB LYS 104 -10.102 -2.103 -3.990 745 2HB LYS 104 2HB LYS 104 -11.120 -1.016 -3.067 746 1HG LYS 104 1HG LYS 104 -12.491 -2.488 -5.284 747 2HG LYS 104 2HG LYS 104 -11.930 -3.483 -3.954 748 1HD LYS 104 1HD LYS 104 -13.117 -1.216 -2.721 749 2HD LYS 104 2HD LYS 104 -14.191 -1.624 -4.044 750 1HE LYS 104 1HE LYS 104 -13.169 -3.684 -2.035 751 2HE LYS 104 2HE LYS 104 -14.677 -2.816 -1.829 752 1HZ LYS 104 1HZ LYS 104 -14.478 -5.119 -3.181 753 2HZ LYS 104 2HZ LYS 104 -15.663 -4.037 -3.458 754 H CYS 105 H CYS 105 -8.515 -0.537 -6.052 755 HA CYS 105 HA CYS 105 -7.620 1.635 -4.402 756 1HB CYS 105 1HB CYS 105 -6.149 -0.007 -6.491 757 2HB CYS 105 2HB CYS 105 -5.410 1.180 -5.434 758 H HIS 106 H HIS 106 -7.558 0.887 -7.973 759 HA HIS 106 HA HIS 106 -7.641 3.767 -8.443 760 1HB HIS 106 1HB HIS 106 -6.847 1.485 -10.274 761 2HB HIS 106 2HB HIS 106 -6.867 3.178 -10.727 762 HD1 HIS 106 HD1 HIS 106 -5.413 4.621 -8.566 763 HD2 HIS 106 HD2 HIS 106 -4.259 0.788 -9.819 764 HE1 HIS 106 HE1 HIS 106 -2.966 4.355 -7.893 765 H GLU 107 H GLU 107 -9.209 4.690 -9.856 766 HA GLU 107 HA GLU 107 -11.375 2.858 -10.528 767 1HB GLU 107 1HB GLU 107 -11.479 5.510 -9.088 768 2HB GLU 107 2HB GLU 107 -12.830 5.048 -10.104 769 1HG GLU 107 1HG GLU 107 -12.454 2.706 -8.721 770 2HG GLU 107 2HG GLU 107 -11.901 3.858 -7.522 771 HHA HEC 108 HHA HEC 108 -0.905 6.633 7.417 772 HHB HEC 108 HHB HEC 108 -1.806 4.082 13.227 773 HHC HEC 108 HHC HEC 108 -2.672 -1.684 10.562 774 HHD HEC 108 HHD HEC 108 -1.332 0.818 4.759 775 1HMA HEC 108 1HMA HEC 108 -0.047 6.838 12.961 776 2HMA HEC 108 2HMA HEC 108 -1.610 7.629 12.646 777 3HMA HEC 108 3HMA HEC 108 -1.561 6.045 13.458 778 1HAA HEC 108 1HAA HEC 108 -0.258 7.981 8.764 779 2HAA HEC 108 2HAA HEC 108 -1.444 8.580 9.949 780 1HBA HEC 108 1HBA HEC 108 0.829 7.769 11.421 781 2HBA HEC 108 2HBA HEC 108 1.417 8.698 10.021 782 1HMB HEC 108 1HMB HEC 108 -3.179 1.062 15.052 783 2HMB HEC 108 2HMB HEC 108 -1.611 1.901 14.985 784 3HMB HEC 108 3HMB HEC 108 -3.109 2.783 14.601 785 HAB HEC 108 HAB HEC 108 -3.255 -1.813 12.451 786 1HBB HEC 108 1HBB HEC 108 -4.794 0.010 13.856 787 2HBB HEC 108 2HBB HEC 108 -4.957 -1.763 13.879 788 3HBB HEC 108 3HBB HEC 108 -3.993 -0.941 15.130 789 1HMC HEC 108 1HMC HEC 108 -1.949 -3.706 7.657 790 2HMC HEC 108 2HMC HEC 108 -2.660 -3.182 9.202 791 3HMC HEC 108 3HMC HEC 108 -3.674 -3.279 7.742 792 HAC HEC 108 HAC HEC 108 -2.100 -1.090 4.461 793 1HBC HEC 108 1HBC HEC 108 -2.745 -3.722 5.806 794 2HBC HEC 108 2HBC HEC 108 -3.958 -2.535 5.270 795 3HBC HEC 108 3HBC HEC 108 -2.892 -3.318 4.078 796 1HMD HEC 108 1HMD HEC 108 -1.456 3.098 2.942 797 2HMD HEC 108 2HMD HEC 108 0.177 3.799 3.043 798 3HMD HEC 108 3HMD HEC 108 -0.085 2.089 3.463 799 1HAD HEC 108 1HAD HEC 108 -0.575 6.828 5.430 800 2HAD HEC 108 2HAD HEC 108 0.845 6.011 4.733 801 1HBD HEC 108 1HBD HEC 108 -1.398 5.301 3.146 802 2HBD HEC 108 2HBD HEC 108 -1.457 7.060 3.414 803 HHA HEC 109 HHA HEC 109 11.680 -2.348 1.719 804 HHB HEC 109 HHB HEC 109 5.319 -1.619 1.368 805 HHC HEC 109 HHC HEC 109 5.645 3.239 5.538 806 HHD HEC 109 HHD HEC 109 12.106 3.181 4.938 807 1HMA HEC 109 1HMA HEC 109 6.999 -4.687 0.442 808 2HMA HEC 109 2HMA HEC 109 5.773 -3.401 0.566 809 3HMA HEC 109 3HMA HEC 109 6.853 -3.469 -0.848 810 1HAA HEC 109 1HAA HEC 109 10.948 -3.958 0.795 811 2HAA HEC 109 2HAA HEC 109 9.491 -4.920 0.448 812 1HBA HEC 109 1HBA HEC 109 9.209 -3.613 -1.658 813 2HBA HEC 109 2HBA HEC 109 10.772 -2.829 -1.323 814 1HMB HEC 109 1HMB HEC 109 2.351 0.303 2.606 815 2HMB HEC 109 2HMB HEC 109 3.368 -0.684 1.527 816 3HMB HEC 109 3HMB HEC 109 2.969 -1.272 3.159 817 HAB HEC 109 HAB HEC 109 3.741 2.727 5.377 818 1HBB HEC 109 1HBB HEC 109 1.735 1.755 5.969 819 2HBB HEC 109 2HBB HEC 109 1.609 0.829 4.454 820 3HBB HEC 109 3HBB HEC 109 2.773 0.333 5.706 821 1HMC HEC 109 1HMC HEC 109 7.756 6.058 6.418 822 2HMC HEC 109 2HMC HEC 109 6.430 4.874 6.510 823 3HMC HEC 109 3HMC HEC 109 7.660 4.936 7.796 824 HAC HEC 109 HAC HEC 109 11.671 4.680 6.122 825 1HBC HEC 109 1HBC HEC 109 9.686 5.574 8.223 826 2HBC HEC 109 2HBC HEC 109 10.715 4.129 8.361 827 3HBC HEC 109 3HBC HEC 109 11.458 5.743 8.252 828 1HMD HEC 109 1HMD HEC 109 14.296 1.434 5.297 829 2HMD HEC 109 2HMD HEC 109 15.075 1.159 3.720 830 3HMD HEC 109 3HMD HEC 109 14.136 2.645 4.002 831 1HAD HEC 109 1HAD HEC 109 13.607 -2.118 2.295 832 2HAD HEC 109 2HAD HEC 109 14.434 -0.688 1.631 833 1HBD HEC 109 1HBD HEC 109 14.871 -0.791 4.463 834 2HBD HEC 109 2HBD HEC 109 15.259 -2.372 3.742 835 HHA HEC 110 HHA HEC 110 -10.275 -4.640 0.743 836 HHB HEC 110 HHB HEC 110 -6.337 0.133 -0.938 837 HHC HEC 110 HHC HEC 110 -1.528 -2.793 2.119 838 HHD HEC 110 HHD HEC 110 -5.314 -7.877 3.190 839 1HMA HEC 110 1HMA HEC 110 -8.825 0.877 -0.759 840 2HMA HEC 110 2HMA HEC 110 -8.433 0.099 -2.310 841 3HMA HEC 110 3HMA HEC 110 -10.090 0.015 -1.667 842 1HAA HEC 110 1HAA HEC 110 -11.330 -1.503 -1.149 843 2HAA HEC 110 2HAA HEC 110 -11.194 -3.278 -1.144 844 1HBA HEC 110 1HBA HEC 110 -12.826 -2.799 0.453 845 2HBA HEC 110 2HBA HEC 110 -11.355 -3.098 1.410 846 1HMB HEC 110 1HMB HEC 110 -4.567 1.001 -1.597 847 2HMB HEC 110 2HMB HEC 110 -3.859 1.806 -0.177 848 3HMB HEC 110 3HMB HEC 110 -2.799 1.075 -1.406 849 HAB HEC 110 HAB HEC 110 -0.778 -1.152 1.258 850 1HBB HEC 110 1HBB HEC 110 -0.314 0.975 1.721 851 2HBB HEC 110 2HBB HEC 110 -0.861 1.536 0.123 852 3HBB HEC 110 3HBB HEC 110 -2.042 1.293 1.432 853 1HMC HEC 110 1HMC HEC 110 -0.186 -6.300 2.476 854 2HMC HEC 110 2HMC HEC 110 -0.264 -4.533 2.283 855 3HMC HEC 110 3HMC HEC 110 -0.441 -5.260 3.898 856 HAC HEC 110 HAC HEC 110 -3.411 -8.109 4.266 857 1HBC HEC 110 1HBC HEC 110 -1.304 -8.608 5.105 858 2HBC HEC 110 2HBC HEC 110 -0.463 -7.814 3.753 859 3HBC HEC 110 3HBC HEC 110 -1.287 -6.832 4.988 860 1HMD HEC 110 1HMD HEC 110 -7.844 -8.404 4.452 861 2HMD HEC 110 2HMD HEC 110 -8.882 -9.105 3.188 862 3HMD HEC 110 3HMD HEC 110 -7.111 -9.214 3.047 863 1HAD HEC 110 1HAD HEC 110 -10.548 -7.878 2.764 864 2HAD HEC 110 2HAD HEC 110 -10.995 -6.165 2.580 865 1HBD HEC 110 1HBD HEC 110 -11.720 -6.506 0.511 866 2HBD HEC 110 2HBD HEC 110 -10.210 -7.323 0.040 867 HHA HEC 111 HHA HEC 111 0.475 5.459 -7.558 868 HHB HEC 111 HHB HEC 111 -0.506 1.979 -12.851 869 HHC HEC 111 HHC HEC 111 -3.279 -2.622 -9.362 870 HHD HEC 111 HHD HEC 111 -2.828 1.179 -4.123 871 1HMA HEC 111 1HMA HEC 111 0.151 4.057 -13.398 872 2HMA HEC 111 2HMA HEC 111 1.187 5.364 -12.776 873 3HMA HEC 111 3HMA HEC 111 1.828 3.709 -12.912 874 1HAA HEC 111 1HAA HEC 111 0.850 6.827 -10.610 875 2HAA HEC 111 2HAA HEC 111 1.442 6.342 -9.003 876 1HBA HEC 111 1HBA HEC 111 3.513 6.236 -9.774 877 2HBA HEC 111 2HBA HEC 111 3.029 5.051 -11.011 878 1HMB HEC 111 1HMB HEC 111 -0.410 -1.516 -13.836 879 2HMB HEC 111 2HMB HEC 111 -1.848 -0.594 -14.335 880 3HMB HEC 111 3HMB HEC 111 -0.346 0.261 -13.906 881 HAB HEC 111 HAB HEC 111 -3.347 -3.161 -11.448 882 1HBB HEC 111 1HBB HEC 111 -1.680 -4.878 -12.096 883 2HBB HEC 111 2HBB HEC 111 -0.418 -3.624 -12.050 884 3HBB HEC 111 3HBB HEC 111 -1.298 -4.056 -10.564 885 1HMC HEC 111 1HMC HEC 111 -4.525 -3.351 -7.894 886 2HMC HEC 111 2HMC HEC 111 -4.277 -3.689 -6.165 887 3HMC HEC 111 3HMC HEC 111 -5.696 -2.755 -6.694 888 HAC HEC 111 HAC HEC 111 -3.836 -0.442 -3.580 889 1HBC HEC 111 1HBC HEC 111 -4.424 -2.548 -2.696 890 2HBC HEC 111 2HBC HEC 111 -4.822 -3.202 -4.303 891 3HBC HEC 111 3HBC HEC 111 -3.129 -2.855 -3.878 892 1HMD HEC 111 1HMD HEC 111 -0.480 3.717 -2.618 893 2HMD HEC 111 2HMD HEC 111 -2.247 3.741 -2.832 894 3HMD HEC 111 3HMD HEC 111 -1.378 2.188 -2.778 895 1HAD HEC 111 1HAD HEC 111 0.872 5.097 -3.922 896 2HAD HEC 111 2HAD HEC 111 1.008 5.707 -5.589 897 1HBD HEC 111 1HBD HEC 111 -1.166 6.852 -5.314 898 2HBD HEC 111 2HBD HEC 111 -1.217 6.297 -3.623 No H/Q in entry = 898 Start of MODEL 8 1 1H ALA 1 1H ALA 1 1.596 4.310 21.220 2 2H ALA 1 2H ALA 1 1.944 2.798 21.797 3 HA ALA 1 HA ALA 1 1.607 3.075 18.972 4 1HB ALA 1 2HB ALA 1 1.368 1.017 21.104 5 2HB ALA 1 3HB ALA 1 0.191 0.888 19.776 6 3HB ALA 1 1HB ALA 1 1.935 0.864 19.424 7 HA PRO 2 HA PRO 2 -2.143 5.212 20.053 8 1HB PRO 2 1HB PRO 2 -2.299 6.726 17.783 9 2HB PRO 2 2HB PRO 2 -1.472 7.257 19.234 10 1HG PRO 2 1HG PRO 2 -0.316 6.285 16.693 11 2HG PRO 2 2HG PRO 2 0.457 7.202 17.971 12 1HD PRO 2 1HD PRO 2 0.753 4.397 17.453 13 2HD PRO 2 2HD PRO 2 1.433 5.292 18.797 14 H LYS 3 H LYS 3 -4.129 5.832 18.330 15 HA LYS 3 HA LYS 3 -4.812 3.137 17.443 16 1HB LYS 3 1HB LYS 3 -6.226 5.232 18.774 17 2HB LYS 3 2HB LYS 3 -6.992 4.977 17.219 18 1HG LYS 3 1HG LYS 3 -6.808 2.412 17.811 19 2HG LYS 3 2HG LYS 3 -6.556 2.969 19.454 20 1HD LYS 3 1HD LYS 3 -8.829 4.323 18.130 21 2HD LYS 3 2HD LYS 3 -9.038 2.585 18.216 22 1HE LYS 3 1HE LYS 3 -8.884 2.559 20.604 23 2HE LYS 3 2HE LYS 3 -8.143 4.146 20.666 24 1HZ LYS 3 1HZ LYS 3 -10.442 4.373 21.256 25 2HZ LYS 3 2HZ LYS 3 -10.296 5.037 19.776 26 H ALA 4 H ALA 4 -6.187 3.061 15.354 27 HA ALA 4 HA ALA 4 -4.583 4.053 13.272 28 1HB ALA 4 2HB ALA 4 -5.964 1.957 13.246 29 2HB ALA 4 3HB ALA 4 -7.426 2.970 13.163 30 3HB ALA 4 1HB ALA 4 -6.241 3.006 11.835 31 HA PRO 5 HA PRO 5 -6.362 7.943 12.624 32 1HB PRO 5 1HB PRO 5 -5.692 8.402 10.015 33 2HB PRO 5 2HB PRO 5 -4.574 8.627 11.345 34 1HG PRO 5 1HG PRO 5 -4.673 6.441 9.358 35 2HG PRO 5 2HG PRO 5 -3.350 6.914 10.406 36 1HD PRO 5 1HD PRO 5 -5.099 4.668 10.756 37 2HD PRO 5 2HD PRO 5 -3.851 5.207 11.863 38 H ALA 6 H ALA 6 -7.947 9.273 11.393 39 HA ALA 6 HA ALA 6 -10.304 7.860 11.174 40 1HB ALA 6 1HB ALA 6 -10.139 10.294 11.498 41 2HB ALA 6 2HB ALA 6 -9.470 10.477 9.859 42 3HB ALA 6 3HB ALA 6 -11.145 9.917 10.079 43 H ASP 7 H ASP 7 -11.674 7.595 9.148 44 HA ASP 7 HA ASP 7 -10.101 6.144 7.277 45 1HB ASP 7 1HB ASP 7 -12.267 5.514 6.299 46 2HB ASP 7 2HB ASP 7 -12.330 5.347 8.042 47 H GLY 8 H GLY 8 -10.561 6.509 4.810 48 1HA GLY 8 1HA GLY 8 -10.967 7.874 3.009 49 2HA GLY 8 2HA GLY 8 -11.347 9.209 4.079 50 H LEU 9 H LEU 9 -8.415 7.292 4.640 51 HA LEU 9 HA LEU 9 -6.818 9.636 4.324 52 1HB LEU 9 1HB LEU 9 -6.225 8.244 6.094 53 2HB LEU 9 2HB LEU 9 -6.331 6.787 5.126 54 HG LEU 9 HG LEU 9 -4.008 7.783 5.843 55 1HD1 LEU 9 3HD1 LEU 9 -4.904 6.061 3.782 56 2HD1 LEU 9 1HD1 LEU 9 -3.597 7.059 3.099 57 3HD1 LEU 9 2HD1 LEU 9 -3.311 6.105 4.574 58 1HD2 LEU 9 3HD2 LEU 9 -4.851 9.959 4.465 59 2HD2 LEU 9 1HD2 LEU 9 -3.142 9.535 4.728 60 3HD2 LEU 9 2HD2 LEU 9 -3.941 9.101 3.198 61 H LYS 10 H LYS 10 -6.912 10.324 2.169 62 HA LYS 10 HA LYS 10 -6.185 8.374 0.137 63 1HB LYS 10 1HB LYS 10 -8.088 9.699 -0.410 64 2HB LYS 10 2HB LYS 10 -7.283 11.189 0.038 65 1HG LYS 10 1HG LYS 10 -5.580 10.735 -1.810 66 2HG LYS 10 2HG LYS 10 -6.567 9.377 -2.312 67 1HD LYS 10 1HD LYS 10 -8.098 10.724 -3.338 68 2HD LYS 10 2HD LYS 10 -8.175 11.821 -1.973 69 1HE LYS 10 1HE LYS 10 -5.820 11.811 -3.910 70 2HE LYS 10 2HE LYS 10 -7.250 12.784 -4.189 71 1HZ LYS 10 1HZ LYS 10 -6.261 13.108 -1.522 72 2HZ LYS 10 2HZ LYS 10 -5.123 13.499 -2.619 73 H MET 11 H MET 11 -4.343 8.596 -1.219 74 HA MET 11 HA MET 11 -2.430 10.581 -0.282 75 1HB MET 11 1HB MET 11 -0.644 8.785 -0.536 76 2HB MET 11 2HB MET 11 -1.790 8.435 0.742 77 1HG MET 11 1HG MET 11 -2.959 7.309 -1.582 78 2HG MET 11 2HG MET 11 -1.253 6.935 -1.724 79 1HE MET 11 2HE MET 11 0.066 5.708 -0.443 80 2HE MET 11 3HE MET 11 -0.346 4.615 0.900 81 3HE MET 11 1HE MET 11 -0.861 4.222 -0.757 82 H GLU 12 H GLU 12 -2.299 11.940 -2.038 83 HA GLU 12 HA GLU 12 -2.170 10.659 -4.646 84 1HB GLU 12 1HB GLU 12 -3.928 12.445 -4.171 85 2HB GLU 12 2HB GLU 12 -2.626 13.608 -4.026 86 1HG GLU 12 1HG GLU 12 -2.708 11.871 -6.494 87 2HG GLU 12 2HG GLU 12 -3.869 13.178 -6.368 88 H ALA 13 H ALA 13 0.140 10.067 -3.800 89 HA ALA 13 HA ALA 13 1.990 12.287 -3.864 90 1HB ALA 13 1HB ALA 13 1.884 9.782 -2.614 91 2HB ALA 13 2HB ALA 13 3.138 9.598 -3.863 92 3HB ALA 13 3HB ALA 13 3.275 10.891 -2.649 93 H THR 14 H THR 14 0.445 10.138 -6.078 94 HA THR 14 HA THR 14 2.443 10.861 -8.113 95 HB THR 14 HB THR 14 2.466 8.630 -8.928 96 HG1 THR 14 HG1 THR 14 -0.011 8.559 -7.372 97 1HG2 THR 14 3HG2 THR 14 2.966 8.919 -6.187 98 2HG2 THR 14 1HG2 THR 14 1.771 7.601 -6.237 99 3HG2 THR 14 2HG2 THR 14 3.298 7.452 -7.139 100 H LYS 15 H LYS 15 1.328 10.222 -10.405 101 HA LYS 15 HA LYS 15 -0.732 12.115 -10.652 102 1HB LYS 15 1HB LYS 15 0.966 11.504 -12.393 103 2HB LYS 15 2HB LYS 15 0.120 9.989 -12.637 104 1HG LYS 15 1HG LYS 15 -1.572 10.981 -13.815 105 2HG LYS 15 2HG LYS 15 -1.698 12.320 -12.692 106 1HD LYS 15 1HD LYS 15 -0.243 13.651 -13.891 107 2HD LYS 15 2HD LYS 15 0.789 12.308 -14.341 108 1HE LYS 15 1HE LYS 15 -0.208 12.933 -16.398 109 2HE LYS 15 2HE LYS 15 -1.164 11.553 -15.897 110 1HZ LYS 15 1HZ LYS 15 -2.235 13.917 -16.539 111 2HZ LYS 15 2HZ LYS 15 -2.971 12.869 -15.532 112 H GLN 16 H GLN 16 -0.742 8.922 -9.456 113 HA GLN 16 HA GLN 16 -3.603 8.776 -10.010 114 1HB GLN 16 1HB GLN 16 -1.764 6.380 -9.611 115 2HB GLN 16 2HB GLN 16 -3.449 6.346 -10.091 116 1HG GLN 16 1HG GLN 16 -1.750 8.037 -11.845 117 2HG GLN 16 2HG GLN 16 -1.285 6.347 -11.837 118 1HE2 GLN 16 2HE2 GLN 16 -4.520 5.157 -12.992 119 2HE2 GLN 16 1HE2 GLN 16 -3.339 4.845 -11.764 120 HA PRO 17 HA PRO 17 -3.392 9.008 -5.588 121 1HB PRO 17 1HB PRO 17 -5.909 10.005 -5.209 122 2HB PRO 17 2HB PRO 17 -4.505 11.020 -5.473 123 1HG PRO 17 1HG PRO 17 -6.689 10.351 -7.350 124 2HG PRO 17 2HG PRO 17 -5.533 11.665 -7.435 125 1HD PRO 17 1HD PRO 17 -5.485 9.238 -8.961 126 2HD PRO 17 2HD PRO 17 -4.269 10.499 -8.960 127 H VAL 18 H VAL 18 -4.478 8.015 -3.723 128 HA VAL 18 HA VAL 18 -6.347 5.945 -4.537 129 HB VAL 18 HB VAL 18 -3.649 5.436 -3.279 130 1HG1 VAL 18 3HG1 VAL 18 -6.169 3.811 -3.226 131 2HG1 VAL 18 1HG1 VAL 18 -4.607 2.973 -3.384 132 3HG1 VAL 18 2HG1 VAL 18 -4.917 4.020 -1.979 133 1HG2 VAL 18 2HG2 VAL 18 -4.890 4.923 -5.930 134 2HG2 VAL 18 3HG2 VAL 18 -3.190 5.213 -5.492 135 3HG2 VAL 18 1HG2 VAL 18 -3.909 3.603 -5.248 136 H VAL 19 H VAL 19 -7.567 5.081 -2.719 137 HA VAL 19 HA VAL 19 -7.292 6.744 -0.312 138 HB VAL 19 HB VAL 19 -9.759 5.921 -1.841 139 1HG1 VAL 19 1HG1 VAL 19 -10.046 5.508 0.608 140 2HG1 VAL 19 2HG1 VAL 19 -9.688 7.228 0.898 141 3HG1 VAL 19 3HG1 VAL 19 -11.127 6.765 -0.041 142 1HG2 VAL 19 1HG2 VAL 19 -8.170 8.272 -1.806 143 2HG2 VAL 19 2HG2 VAL 19 -9.722 8.004 -2.633 144 3HG2 VAL 19 3HG2 VAL 19 -9.697 8.662 -0.979 145 H PHE 20 H PHE 20 -6.623 5.491 1.347 146 HA PHE 20 HA PHE 20 -7.323 2.651 1.261 147 1HB PHE 20 1HB PHE 20 -4.922 3.554 1.512 148 2HB PHE 20 2HB PHE 20 -5.416 4.340 2.998 149 HD1 PHE 20 HD2 PHE 20 -5.440 0.920 1.445 150 HD2 PHE 20 HD1 PHE 20 -4.993 3.251 5.005 151 HE1 PHE 20 HE2 PHE 20 -4.863 -1.180 2.757 152 HE2 PHE 20 HE1 PHE 20 -4.418 1.143 6.304 153 HZ PHE 20 HZ PHE 20 -4.357 -1.072 5.057 154 H ASN 21 H ASN 21 -7.543 1.693 3.633 155 HA ASN 21 HA ASN 21 -9.007 3.526 5.311 156 1HB ASN 21 1HB ASN 21 -10.160 0.906 4.219 157 2HB ASN 21 2HB ASN 21 -10.869 1.786 5.558 158 1HD2 ASN 21 2HD2 ASN 21 -11.150 3.126 1.666 159 2HD2 ASN 21 1HD2 ASN 21 -10.032 1.895 2.150 160 H HIS 22 H HIS 22 -8.831 2.901 7.544 161 HA HIS 22 HA HIS 22 -7.035 0.657 7.991 162 1HB HIS 22 1HB HIS 22 -7.717 3.166 9.479 163 2HB HIS 22 2HB HIS 22 -7.128 1.788 10.388 164 HD1 HIS 22 HD1 HIS 22 -6.041 4.429 7.967 165 HD2 HIS 22 HD2 HIS 22 -4.416 1.053 9.854 166 HE1 HIS 22 HE1 HIS 22 -3.516 4.565 7.625 167 H SER 23 H SER 23 -10.366 1.476 8.059 168 HA SER 23 HA SER 23 -10.977 -0.255 10.255 169 1HB SER 23 1HB SER 23 -13.355 0.293 9.652 170 2HB SER 23 2HB SER 23 -12.369 1.710 9.953 171 HG SER 23 HG SER 23 -13.076 0.627 7.360 172 H THR 24 H THR 24 -10.035 -0.713 7.070 173 HA THR 24 HA THR 24 -11.782 -3.048 6.696 174 HB THR 24 HB THR 24 -10.064 -1.381 4.786 175 HG1 THR 24 HG1 THR 24 -12.925 -1.989 4.996 176 1HG2 THR 24 3HG2 THR 24 -11.089 -4.099 4.513 177 2HG2 THR 24 1HG2 THR 24 -11.979 -3.009 3.423 178 3HG2 THR 24 2HG2 THR 24 -10.206 -3.123 3.315 179 H HIS 25 H HIS 25 -8.424 -1.967 7.148 180 HA HIS 25 HA HIS 25 -7.571 -4.740 6.855 181 1HB HIS 25 1HB HIS 25 -5.951 -2.185 7.049 182 2HB HIS 25 2HB HIS 25 -5.285 -3.794 6.846 183 HD1 HIS 25 HD1 HIS 25 -7.552 -1.331 5.000 184 HD2 HIS 25 HD2 HIS 25 -5.095 -4.643 4.233 185 HE1 HIS 25 HE1 HIS 25 -7.433 -1.560 2.461 186 H LYS 26 H LYS 26 -9.240 -3.980 9.098 187 HA LYS 26 HA LYS 26 -7.631 -3.434 11.354 188 1HB LYS 26 1HB LYS 26 -10.384 -4.700 11.232 189 2HB LYS 26 2HB LYS 26 -9.641 -3.945 12.627 190 1HG LYS 26 1HG LYS 26 -9.557 -1.765 11.431 191 2HG LYS 26 2HG LYS 26 -10.235 -2.508 9.996 192 1HD LYS 26 1HD LYS 26 -12.209 -1.728 10.903 193 2HD LYS 26 2HD LYS 26 -12.151 -3.260 11.751 194 1HE LYS 26 1HE LYS 26 -10.954 -2.110 13.664 195 2HE LYS 26 2HE LYS 26 -11.141 -0.583 12.825 196 1HZ LYS 26 1HZ LYS 26 -13.593 -1.008 12.861 197 2HZ LYS 26 2HZ LYS 26 -13.345 -2.320 13.794 198 H SER 27 H SER 27 -8.691 -6.401 9.658 199 HA SER 27 HA SER 27 -7.779 -8.093 11.727 200 1HB SER 27 1HB SER 27 -9.214 -8.341 9.240 201 2HB SER 27 2HB SER 27 -7.874 -9.469 9.198 202 HG SER 27 HG SER 27 -9.802 -9.256 11.353 203 H VAL 28 H VAL 28 -6.228 -6.193 9.338 204 HA VAL 28 HA VAL 28 -4.019 -8.024 8.947 205 HB VAL 28 HB VAL 28 -4.382 -5.167 8.028 206 1HG1 VAL 28 2HG1 VAL 28 -2.088 -6.597 8.026 207 2HG1 VAL 28 3HG1 VAL 28 -2.779 -7.126 6.474 208 3HG1 VAL 28 1HG1 VAL 28 -2.500 -5.395 6.780 209 1HG2 VAL 28 2HG2 VAL 28 -5.249 -7.778 6.763 210 2HG2 VAL 28 3HG2 VAL 28 -6.236 -6.343 7.130 211 3HG2 VAL 28 1HG2 VAL 28 -5.024 -6.280 5.828 212 H LYS 29 H LYS 29 -1.942 -7.777 9.819 213 HA LYS 29 HA LYS 29 -1.866 -6.438 12.324 214 1HB LYS 29 1HB LYS 29 -0.342 -8.434 10.898 215 2HB LYS 29 2HB LYS 29 0.740 -7.223 11.554 216 1HG LYS 29 1HG LYS 29 -1.388 -7.970 13.461 217 2HG LYS 29 2HG LYS 29 -0.420 -9.347 12.975 218 1HD LYS 29 1HD LYS 29 0.727 -8.443 14.862 219 2HD LYS 29 2HD LYS 29 1.661 -7.906 13.479 220 1HE LYS 29 1HE LYS 29 0.319 -5.725 13.532 221 2HE LYS 29 2HE LYS 29 -0.390 -6.267 15.040 222 1HZ LYS 29 1HZ LYS 29 1.827 -4.859 15.005 223 2HZ LYS 29 2HZ LYS 29 1.597 -6.000 16.144 224 H CYS 30 H CYS 30 -1.012 -4.467 12.878 225 HA CYS 30 HA CYS 30 -0.781 -2.527 10.937 226 1HB CYS 30 1HB CYS 30 0.599 -2.351 13.607 227 2HB CYS 30 2HB CYS 30 -0.094 -1.059 12.647 228 H GLY 31 H GLY 31 1.547 -4.847 12.300 229 1HA GLY 31 1HA GLY 31 3.884 -3.519 11.279 230 2HA GLY 31 2HA GLY 31 3.782 -5.113 11.999 231 H ASP 32 H ASP 32 1.321 -5.158 9.777 232 HA ASP 32 HA ASP 32 2.875 -6.717 7.996 233 1HB ASP 32 1HB ASP 32 0.424 -7.096 8.693 234 2HB ASP 32 2HB ASP 32 0.001 -5.759 7.643 235 H CYS 33 H CYS 33 1.519 -3.429 8.182 236 HA CYS 33 HA CYS 33 2.344 -2.950 5.416 237 1HB CYS 33 1HB CYS 33 0.162 -1.843 7.116 238 2HB CYS 33 2HB CYS 33 0.958 -0.717 6.035 239 H HIS 34 H HIS 34 2.265 -1.486 8.749 240 HA HIS 34 HA HIS 34 4.324 0.366 8.051 241 1HB HIS 34 1HB HIS 34 3.059 -0.305 10.723 242 2HB HIS 34 2HB HIS 34 4.156 1.030 10.432 243 HD1 HIS 34 HD1 HIS 34 3.256 2.998 8.850 244 HD2 HIS 34 HD2 HIS 34 0.403 0.154 10.020 245 HE1 HIS 34 HE1 HIS 34 0.974 4.032 8.363 246 H HIS 35 H HIS 35 5.471 -1.898 7.306 247 HA HIS 35 HA HIS 35 6.605 -3.610 9.024 248 1HB HIS 35 1HB HIS 35 8.381 -3.905 7.414 249 2HB HIS 35 2HB HIS 35 6.854 -3.674 6.586 250 HD1 HIS 35 HD1 HIS 35 10.047 -1.771 7.436 251 HD2 HIS 35 HD2 HIS 35 6.792 -1.561 4.798 252 HE1 HIS 35 HE1 HIS 35 10.593 0.085 5.772 253 HA PRO 36 HA PRO 36 9.269 -1.374 11.594 254 1HB PRO 36 1HB PRO 36 10.997 -3.329 12.408 255 2HB PRO 36 2HB PRO 36 9.400 -3.114 13.097 256 1HG PRO 36 1HG PRO 36 10.338 -5.179 11.202 257 2HG PRO 36 2HG PRO 36 8.908 -5.187 12.215 258 1HD PRO 36 1HD PRO 36 9.010 -4.676 9.394 259 2HD PRO 36 2HD PRO 36 7.599 -4.570 10.428 260 H VAL 37 H VAL 37 10.696 0.182 11.177 261 HA VAL 37 HA VAL 37 12.833 -0.633 9.329 262 HB VAL 37 HB VAL 37 11.492 2.057 9.673 263 1HG1 VAL 37 2HG1 VAL 37 13.870 2.277 9.105 264 2HG1 VAL 37 3HG1 VAL 37 13.649 1.178 7.722 265 3HG1 VAL 37 1HG1 VAL 37 12.835 2.761 7.740 266 1HG2 VAL 37 2HG2 VAL 37 11.154 -0.180 7.695 267 2HG2 VAL 37 3HG2 VAL 37 9.926 0.840 8.482 268 3HG2 VAL 37 1HG2 VAL 37 10.925 1.504 7.167 269 H ASN 38 H ASN 38 14.803 -0.734 10.262 270 HA ASN 38 HA ASN 38 16.553 -0.003 11.389 271 1HB ASN 38 1HB ASN 38 15.215 2.325 11.467 272 2HB ASN 38 2HB ASN 38 14.945 1.882 13.141 273 1HD2 ASN 38 2HD2 ASN 38 17.948 3.321 14.067 274 2HD2 ASN 38 1HD2 ASN 38 16.236 3.145 14.268 275 H GLY 39 H GLY 39 13.658 -1.349 12.429 276 1HA GLY 39 1HA GLY 39 13.636 -3.121 13.981 277 2HA GLY 39 2HA GLY 39 14.879 -2.322 14.923 278 H LYS 40 H LYS 40 12.897 0.181 13.989 279 HA LYS 40 HA LYS 40 11.358 -0.047 16.473 280 1HB LYS 40 1HB LYS 40 11.323 2.348 16.537 281 2HB LYS 40 2HB LYS 40 12.979 1.829 16.296 282 1HG LYS 40 1HG LYS 40 12.812 2.284 13.870 283 2HG LYS 40 2HG LYS 40 11.115 2.690 14.034 284 1HD LYS 40 1HD LYS 40 11.555 4.728 15.120 285 2HD LYS 40 2HD LYS 40 13.100 4.188 15.745 286 1HE LYS 40 1HE LYS 40 13.547 4.051 13.012 287 2HE LYS 40 2HE LYS 40 12.452 5.415 13.112 288 1HZ LYS 40 1HZ LYS 40 14.685 6.213 13.400 289 2HZ LYS 40 2HZ LYS 40 13.967 6.343 14.856 290 H GLU 41 H GLU 41 9.104 0.367 16.479 291 HA GLU 41 HA GLU 41 7.961 0.268 13.797 292 1HB GLU 41 1HB GLU 41 7.608 -1.478 16.036 293 2HB GLU 41 2HB GLU 41 6.098 -0.611 15.837 294 1HG GLU 41 1HG GLU 41 6.734 -1.227 13.205 295 2HG GLU 41 2HG GLU 41 7.373 -2.620 14.054 296 H ASP 42 H ASP 42 6.635 1.943 13.199 297 HA ASP 42 HA ASP 42 5.306 3.408 15.292 298 1HB ASP 42 1HB ASP 42 7.706 4.367 14.198 299 2HB ASP 42 2HB ASP 42 6.485 5.201 13.257 300 H TYR 43 H TYR 43 3.753 5.112 14.161 301 HA TYR 43 HA TYR 43 2.738 3.860 11.708 302 1HB TYR 43 1HB TYR 43 1.510 5.757 13.806 303 2HB TYR 43 2HB TYR 43 0.615 5.016 12.494 304 HD1 TYR 43 HD1 TYR 43 2.341 2.309 12.955 305 HD2 TYR 43 HD2 TYR 43 -0.160 4.792 15.381 306 HE1 TYR 43 HE1 TYR 43 1.804 0.322 14.447 307 HE2 TYR 43 HE2 TYR 43 -0.688 2.797 16.865 308 HH TYR 43 HH TYR 43 -0.091 0.739 17.390 309 H ARG 44 H ARG 44 4.067 4.957 10.177 310 HA ARG 44 HA ARG 44 3.493 7.811 10.080 311 1HB ARG 44 1HB ARG 44 6.036 6.456 10.141 312 2HB ARG 44 2HB ARG 44 5.861 7.142 8.538 313 1HG ARG 44 1HG ARG 44 5.526 9.373 9.421 314 2HG ARG 44 2HG ARG 44 5.310 8.772 11.053 315 1HD ARG 44 1HD ARG 44 7.840 7.771 10.266 316 2HD ARG 44 2HD ARG 44 7.799 9.401 9.624 317 HE ARG 44 HE ARG 44 7.976 8.664 12.417 318 1HH1 ARG 44 2HH2 ARG 44 6.640 11.141 10.265 319 2HH1 ARG 44 1HH2 ARG 44 6.643 12.375 11.480 320 HH2 ARG 44 HH1 ARG 44 7.434 11.854 13.681 321 H LYS 45 H LYS 45 3.944 8.635 7.642 322 HA LYS 45 HA LYS 45 2.237 7.002 5.998 323 1HB LYS 45 1HB LYS 45 3.489 9.735 5.618 324 2HB LYS 45 2HB LYS 45 2.477 8.957 4.418 325 1HG LYS 45 1HG LYS 45 0.863 10.177 5.575 326 2HG LYS 45 2HG LYS 45 0.783 8.662 6.451 327 1HD LYS 45 1HD LYS 45 1.765 9.539 8.353 328 2HD LYS 45 2HD LYS 45 2.831 10.596 7.449 329 1HE LYS 45 1HE LYS 45 0.488 11.802 6.829 330 2HE LYS 45 2HE LYS 45 -0.005 11.071 8.343 331 1HZ LYS 45 1HZ LYS 45 1.352 13.401 8.150 332 2HZ LYS 45 2HZ LYS 45 1.299 12.494 9.501 333 H CYS 46 H CYS 46 2.816 5.809 4.203 334 HA CYS 46 HA CYS 46 5.397 4.831 4.087 335 1HB CYS 46 1HB CYS 46 3.570 4.803 1.703 336 2HB CYS 46 2HB CYS 46 4.720 3.590 2.229 337 H GLY 47 H GLY 47 3.658 7.270 2.027 338 1HA GLY 47 1HA GLY 47 5.998 7.871 0.475 339 2HA GLY 47 2HA GLY 47 4.447 8.686 0.441 340 H THR 48 H THR 48 6.902 8.115 3.067 341 HA THR 48 HA THR 48 6.659 10.943 3.768 342 HB THR 48 HB THR 48 7.489 8.375 5.138 343 HG1 THR 48 HG1 THR 48 5.490 9.037 5.845 344 1HG2 THR 48 2HG2 THR 48 8.219 11.212 6.040 345 2HG2 THR 48 3HG2 THR 48 8.293 9.764 7.074 346 3HG2 THR 48 1HG2 THR 48 9.375 9.910 5.668 347 H ALA 49 H ALA 49 8.214 12.438 3.454 348 HA ALA 49 HA ALA 49 10.221 11.981 1.618 349 1HB ALA 49 2HB ALA 49 9.144 14.171 2.494 350 2HB ALA 49 3HB ALA 49 10.367 14.092 3.784 351 3HB ALA 49 1HB ALA 49 10.875 14.202 2.082 352 H GLY 50 H GLY 50 11.775 10.432 1.853 353 1HA GLY 50 1HA GLY 50 14.007 10.234 2.851 354 2HA GLY 50 2HA GLY 50 13.249 10.417 4.421 355 H CYS 51 H CYS 51 10.887 8.768 2.915 356 HA CYS 51 HA CYS 51 12.072 6.196 3.653 357 1HB CYS 51 1HB CYS 51 9.189 7.137 3.700 358 2HB CYS 51 2HB CYS 51 9.660 5.462 3.908 359 H HIS 52 H HIS 52 9.030 6.642 1.846 360 HA HIS 52 HA HIS 52 10.341 5.395 -0.450 361 1HB HIS 52 1HB HIS 52 7.459 5.392 0.477 362 2HB HIS 52 2HB HIS 52 7.969 4.779 -1.083 363 HD1 HIS 52 HD1 HIS 52 9.921 2.788 -0.896 364 HD2 HIS 52 HD2 HIS 52 7.521 3.514 2.466 365 HE1 HIS 52 HE1 HIS 52 10.110 0.715 0.578 366 H ASP 53 H ASP 53 11.189 7.708 -0.811 367 HA ASP 53 HA ASP 53 9.173 9.090 -2.393 368 1HB ASP 53 1HB ASP 53 10.006 10.145 -0.080 369 2HB ASP 53 2HB ASP 53 11.409 10.602 -1.025 370 H SER 54 H SER 54 10.274 7.700 -4.121 371 HA SER 54 HA SER 54 12.887 8.802 -4.802 372 1HB SER 54 1HB SER 54 13.361 6.715 -5.971 373 2HB SER 54 2HB SER 54 12.856 6.347 -4.333 374 HG SER 54 HG SER 54 10.769 5.770 -5.101 375 H MET 55 H MET 55 9.577 8.000 -5.884 376 HA MET 55 HA MET 55 8.389 8.637 -7.589 377 1HB MET 55 1HB MET 55 10.331 10.806 -7.195 378 2HB MET 55 2HB MET 55 9.909 10.687 -8.891 379 1HG MET 55 1HG MET 55 8.106 11.977 -8.295 380 2HG MET 55 2HG MET 55 7.413 10.456 -7.769 381 1HE MET 55 3HE MET 55 7.569 9.454 -5.755 382 2HE MET 55 1HE MET 55 8.035 10.131 -4.176 383 3HE MET 55 2HE MET 55 6.448 10.523 -4.880 384 H ASP 56 H ASP 56 10.392 6.528 -7.938 385 HA ASP 56 HA ASP 56 10.986 6.923 -10.765 386 1HB ASP 56 1HB ASP 56 12.275 4.903 -8.878 387 2HB ASP 56 2HB ASP 56 12.802 5.307 -10.500 388 H LYS 57 H LYS 57 8.551 6.233 -10.883 389 HA LYS 57 HA LYS 57 7.487 3.918 -10.038 390 1HB LYS 57 1HB LYS 57 6.072 5.359 -11.195 391 2HB LYS 57 2HB LYS 57 7.148 5.498 -12.571 392 1HG LYS 57 1HG LYS 57 6.223 2.721 -12.034 393 2HG LYS 57 2HG LYS 57 4.935 3.833 -12.452 394 1HD LYS 57 1HD LYS 57 6.772 4.544 -14.349 395 2HD LYS 57 2HD LYS 57 7.230 2.868 -14.121 396 1HE LYS 57 1HE LYS 57 5.545 2.367 -15.573 397 2HE LYS 57 2HE LYS 57 4.455 2.687 -14.239 398 1HZ LYS 57 1HZ LYS 57 3.650 4.323 -15.541 399 2HZ LYS 57 2HZ LYS 57 5.009 5.172 -15.250 400 H LYS 58 H LYS 58 9.515 4.320 -13.020 401 HA LYS 58 HA LYS 58 9.658 1.419 -13.215 402 1HB LYS 58 1HB LYS 58 9.105 2.690 -15.233 403 2HB LYS 58 2HB LYS 58 10.587 3.614 -15.090 404 1HG LYS 58 1HG LYS 58 11.792 1.277 -15.103 405 2HG LYS 58 2HG LYS 58 10.272 0.658 -15.717 406 1HD LYS 58 1HD LYS 58 11.245 3.117 -17.092 407 2HD LYS 58 2HD LYS 58 12.283 1.719 -17.288 408 1HE LYS 58 1HE LYS 58 9.733 0.635 -17.670 409 2HE LYS 58 2HE LYS 58 9.581 2.225 -18.392 410 1HZ LYS 58 1HZ LYS 58 11.205 1.738 -19.957 411 2HZ LYS 58 2HZ LYS 58 11.955 0.617 -19.045 412 H ASP 59 H ASP 59 10.935 0.964 -11.346 413 HA ASP 59 HA ASP 59 13.708 1.266 -11.889 414 1HB ASP 59 1HB ASP 59 13.459 3.359 -10.724 415 2HB ASP 59 2HB ASP 59 12.383 2.657 -9.531 416 H LYS 60 H LYS 60 11.363 0.711 -9.142 417 HA LYS 60 HA LYS 60 11.035 -0.996 -7.784 418 1HB LYS 60 1HB LYS 60 12.267 -2.627 -10.025 419 2HB LYS 60 2HB LYS 60 11.426 -3.298 -8.642 420 1HG LYS 60 1HG LYS 60 9.330 -2.416 -9.313 421 2HG LYS 60 2HG LYS 60 10.057 -1.178 -10.317 422 1HD LYS 60 1HD LYS 60 10.612 -4.042 -11.057 423 2HD LYS 60 2HD LYS 60 8.992 -3.442 -11.351 424 1HE LYS 60 1HE LYS 60 9.714 -1.837 -12.918 425 2HE LYS 60 2HE LYS 60 11.327 -1.742 -12.240 426 1HZ LYS 60 1HZ LYS 60 12.005 -3.516 -13.471 427 2HZ LYS 60 2HZ LYS 60 10.614 -4.345 -13.309 428 H SER 61 H SER 61 12.040 -1.578 -5.907 429 HA SER 61 HA SER 61 14.460 -2.730 -5.663 430 1HB SER 61 1HB SER 61 14.847 -0.044 -6.498 431 2HB SER 61 2HB SER 61 15.230 -0.052 -4.788 432 HG SER 61 HG SER 61 17.143 -0.639 -5.721 433 H ALA 62 H ALA 62 13.087 0.305 -4.175 434 HA ALA 62 HA ALA 62 11.807 -1.006 -2.076 435 1HB ALA 62 3HB ALA 62 14.358 -1.426 -1.616 436 2HB ALA 62 1HB ALA 62 14.358 0.276 -1.094 437 3HB ALA 62 2HB ALA 62 13.302 -0.905 -0.282 438 H LYS 63 H LYS 63 13.846 1.896 -2.857 439 HA LYS 63 HA LYS 63 12.221 3.669 -1.401 440 1HB LYS 63 1HB LYS 63 14.204 4.143 -3.645 441 2HB LYS 63 2HB LYS 63 13.472 5.412 -2.684 442 1HG LYS 63 1HG LYS 63 14.376 3.739 -0.691 443 2HG LYS 63 2HG LYS 63 15.579 3.435 -1.928 444 1HD LYS 63 1HD LYS 63 16.406 5.613 -1.872 445 2HD LYS 63 2HD LYS 63 14.859 6.310 -1.435 446 1HE LYS 63 1HE LYS 63 15.906 4.494 0.651 447 2HE LYS 63 2HE LYS 63 16.997 5.823 0.314 448 1HZ LYS 63 1HZ LYS 63 15.270 7.385 0.796 449 2HZ LYS 63 2HZ LYS 63 14.106 6.247 0.828 450 H GLY 64 H GLY 64 11.757 1.979 -4.376 451 1HA GLY 64 1HA GLY 64 10.241 3.865 -5.818 452 2HA GLY 64 2HA GLY 64 10.210 2.123 -6.001 453 H TYR 65 H TYR 65 8.703 4.937 -4.474 454 HA TYR 65 HA TYR 65 7.041 3.747 -2.640 455 1HB TYR 65 1HB TYR 65 7.301 6.194 -2.999 456 2HB TYR 65 2HB TYR 65 6.741 6.054 -4.654 457 HD1 TYR 65 HD1 TYR 65 5.604 5.600 -1.120 458 HD2 TYR 65 HD2 TYR 65 4.474 6.391 -5.170 459 HE1 TYR 65 HE1 TYR 65 3.229 6.107 -0.366 460 HE2 TYR 65 HE2 TYR 65 2.103 6.896 -4.402 461 HH TYR 65 HH TYR 65 1.318 7.532 -1.280 462 H TYR 66 H TYR 66 6.677 4.035 -6.212 463 HA TYR 66 HA TYR 66 4.041 2.890 -6.139 464 1HB TYR 66 1HB TYR 66 4.519 4.450 -7.918 465 2HB TYR 66 2HB TYR 66 6.145 3.834 -8.135 466 HD1 TYR 66 HD1 TYR 66 6.470 1.590 -9.281 467 HD2 TYR 66 HD2 TYR 66 2.705 3.620 -9.215 468 HE1 TYR 66 HE1 TYR 66 5.668 0.181 -11.239 469 HE2 TYR 66 HE2 TYR 66 1.915 2.203 -11.173 470 HH TYR 66 HH TYR 66 3.290 0.944 -13.152 471 H HIS 67 H HIS 67 7.025 1.571 -5.540 472 HA HIS 67 HA HIS 67 6.483 -0.846 -7.079 473 1HB HIS 67 1HB HIS 67 8.672 -0.494 -7.486 474 2HB HIS 67 2HB HIS 67 8.901 0.491 -6.055 475 HD1 HIS 67 HD1 HIS 67 9.324 -2.964 -7.356 476 HD2 HIS 67 HD2 HIS 67 9.457 -1.014 -3.644 477 HE1 HIS 67 HE1 HIS 67 10.460 -4.580 -5.740 478 H VAL 68 H VAL 68 6.363 0.574 -3.876 479 HA VAL 68 HA VAL 68 6.179 -2.055 -2.634 480 HB VAL 68 HB VAL 68 5.966 -0.560 -0.555 481 1HG1 VAL 68 2HG1 VAL 68 8.019 -1.841 -1.465 482 2HG1 VAL 68 3HG1 VAL 68 8.598 -0.244 -2.000 483 3HG1 VAL 68 1HG1 VAL 68 8.292 -0.548 -0.273 484 1HG2 VAL 68 3HG2 VAL 68 5.490 1.489 -2.088 485 2HG2 VAL 68 1HG2 VAL 68 6.532 1.699 -0.660 486 3HG2 VAL 68 2HG2 VAL 68 7.259 1.548 -2.278 487 H MET 69 H MET 69 4.182 -0.375 -4.518 488 HA MET 69 HA MET 69 1.899 -0.838 -2.756 489 1HB MET 69 1HB MET 69 2.101 1.085 -5.140 490 2HB MET 69 2HB MET 69 0.744 0.957 -4.038 491 1HG MET 69 1HG MET 69 3.477 1.541 -2.881 492 2HG MET 69 2HG MET 69 2.628 2.836 -3.701 493 1HE MET 69 3HE MET 69 3.705 2.444 -0.956 494 2HE MET 69 1HE MET 69 2.510 3.092 0.193 495 3HE MET 69 2HE MET 69 2.784 1.336 0.089 496 H HIS 70 H HIS 70 3.599 -1.837 -5.554 497 HA HIS 70 HA HIS 70 1.252 -3.352 -6.396 498 1HB HIS 70 1HB HIS 70 3.178 -2.145 -8.386 499 2HB HIS 70 2HB HIS 70 1.653 -2.947 -8.706 500 HD1 HIS 70 HD1 HIS 70 2.977 0.260 -7.103 501 HD2 HIS 70 HD2 HIS 70 -0.536 -1.274 -8.808 502 HE1 HIS 70 HE1 HIS 70 1.350 2.218 -7.274 503 H ASP 71 H ASP 71 4.797 -2.932 -7.114 504 HA ASP 71 HA ASP 71 5.447 -5.325 -7.944 505 1HB ASP 71 1HB ASP 71 6.857 -3.211 -6.967 506 2HB ASP 71 2HB ASP 71 7.140 -4.344 -5.660 507 H LYS 72 H LYS 72 5.082 -7.424 -7.209 508 HA LYS 72 HA LYS 72 4.335 -7.769 -4.425 509 1HB LYS 72 1HB LYS 72 4.293 -9.787 -6.686 510 2HB LYS 72 2HB LYS 72 3.523 -9.939 -5.119 511 1HG LYS 72 1HG LYS 72 1.675 -8.996 -6.040 512 2HG LYS 72 2HG LYS 72 2.554 -7.481 -6.080 513 1HD LYS 72 1HD LYS 72 3.537 -8.802 -8.336 514 2HD LYS 72 2HD LYS 72 1.862 -9.314 -8.302 515 1HE LYS 72 1HE LYS 72 1.295 -6.783 -7.940 516 2HE LYS 72 2HE LYS 72 2.946 -6.474 -8.441 517 1HZ LYS 72 1HZ LYS 72 0.915 -7.927 -10.052 518 2HZ LYS 72 2HZ LYS 72 1.467 -6.425 -10.352 519 H ASN 73 H ASN 73 7.026 -8.270 -6.638 520 HA ASN 73 HA ASN 73 8.253 -10.241 -5.014 521 1HB ASN 73 1HB ASN 73 9.240 -8.498 -7.324 522 2HB ASN 73 2HB ASN 73 10.284 -9.656 -6.525 523 1HD2 ASN 73 2HD2 ASN 73 9.014 -12.504 -8.057 524 2HD2 ASN 73 1HD2 ASN 73 10.101 -11.789 -6.914 525 H THR 74 H THR 74 7.989 -8.807 -2.969 526 HA THR 74 HA THR 74 10.360 -7.096 -2.713 527 HB THR 74 HB THR 74 8.900 -5.518 -1.369 528 HG1 THR 74 HG1 THR 74 6.858 -7.215 -2.620 529 1HG2 THR 74 1HG2 THR 74 9.041 -5.691 -4.169 530 2HG2 THR 74 2HG2 THR 74 7.291 -5.657 -3.848 531 3HG2 THR 74 3HG2 THR 74 8.330 -4.339 -3.255 532 H LYS 75 H LYS 75 11.085 -6.816 -0.459 533 HA LYS 75 HA LYS 75 11.143 -9.320 0.821 534 1HB LYS 75 1HB LYS 75 13.018 -7.773 0.892 535 2HB LYS 75 2HB LYS 75 12.051 -6.573 1.725 536 1HG LYS 75 1HG LYS 75 11.982 -7.816 3.736 537 2HG LYS 75 2HG LYS 75 12.299 -9.339 2.928 538 1HD LYS 75 1HD LYS 75 14.521 -9.106 3.302 539 2HD LYS 75 2HD LYS 75 14.538 -7.603 2.403 540 1HE LYS 75 1HE LYS 75 13.447 -6.671 4.706 541 2HE LYS 75 2HE LYS 75 14.316 -8.040 5.371 542 1HZ LYS 75 1HZ LYS 75 16.185 -6.832 5.207 543 2HZ LYS 75 2HZ LYS 75 16.038 -6.734 3.588 544 H PHE 76 H PHE 76 8.995 -6.541 0.993 545 HA PHE 76 HA PHE 76 7.690 -7.791 3.318 546 1HB PHE 76 1HB PHE 76 7.881 -4.898 2.271 547 2HB PHE 76 2HB PHE 76 6.858 -5.355 3.618 548 HD1 PHE 76 HD2 PHE 76 8.219 -6.782 5.509 549 HD2 PHE 76 HD1 PHE 76 9.917 -3.934 2.805 550 HE1 PHE 76 HE2 PHE 76 10.165 -6.416 7.104 551 HE2 PHE 76 HE1 PHE 76 11.857 -3.579 4.409 552 HZ PHE 76 HZ PHE 76 11.902 -4.913 6.572 553 H LYS 77 H LYS 77 5.312 -7.614 3.378 554 HA LYS 77 HA LYS 77 4.186 -8.331 0.912 555 1HB LYS 77 1HB LYS 77 3.097 -7.726 3.655 556 2HB LYS 77 2HB LYS 77 2.009 -7.996 2.309 557 1HG LYS 77 1HG LYS 77 2.911 -10.216 1.905 558 2HG LYS 77 2HG LYS 77 4.257 -9.939 2.993 559 1HD LYS 77 1HD LYS 77 2.579 -9.680 4.893 560 2HD LYS 77 2HD LYS 77 1.312 -10.144 3.775 561 1HE LYS 77 1HE LYS 77 3.240 -12.147 3.403 562 2HE LYS 77 2HE LYS 77 3.329 -11.831 5.124 563 1HZ LYS 77 1HZ LYS 77 0.962 -12.231 5.306 564 2HZ LYS 77 2HZ LYS 77 0.783 -12.372 3.693 565 H SER 78 H SER 78 3.350 -7.142 -0.729 566 HA SER 78 HA SER 78 3.280 -4.281 -0.280 567 1HB SER 78 1HB SER 78 3.636 -4.011 -2.582 568 2HB SER 78 2HB SER 78 4.536 -5.476 -2.241 569 HG SER 78 HG SER 78 3.158 -5.652 -4.147 570 H CYS 79 H CYS 79 1.428 -3.039 -1.359 571 HA CYS 79 HA CYS 79 -0.971 -3.756 -0.350 572 1HB CYS 79 1HB CYS 79 -0.551 -2.177 -2.895 573 2HB CYS 79 2HB CYS 79 -1.980 -2.152 -1.882 574 H VAL 80 H VAL 80 -0.118 -3.974 -3.890 575 HA VAL 80 HA VAL 80 -2.272 -5.671 -4.482 576 HB VAL 80 HB VAL 80 0.319 -5.070 -5.917 577 1HG1 VAL 80 3HG1 VAL 80 -2.139 -6.576 -6.859 578 2HG1 VAL 80 1HG1 VAL 80 -0.913 -5.898 -7.957 579 3HG1 VAL 80 2HG1 VAL 80 -0.459 -7.160 -6.787 580 1HG2 VAL 80 1HG2 VAL 80 -2.270 -3.698 -5.650 581 2HG2 VAL 80 2HG2 VAL 80 -0.684 -3.072 -6.162 582 3HG2 VAL 80 3HG2 VAL 80 -1.732 -3.907 -7.334 583 H GLY 81 H GLY 81 1.097 -6.224 -3.427 584 1HA GLY 81 1HA GLY 81 1.432 -8.881 -4.068 585 2HA GLY 81 2HA GLY 81 2.115 -8.080 -2.668 586 H CYS 82 H CYS 82 0.181 -7.558 -0.911 587 HA CYS 82 HA CYS 82 -0.512 -10.074 0.071 588 1HB CYS 82 1HB CYS 82 -0.140 -8.104 1.504 589 2HB CYS 82 2HB CYS 82 -1.581 -7.343 0.860 590 H HIS 83 H HIS 83 -2.331 -7.478 -1.675 591 HA HIS 83 HA HIS 83 -4.847 -8.549 -1.497 592 1HB HIS 83 1HB HIS 83 -3.457 -6.818 -3.524 593 2HB HIS 83 2HB HIS 83 -5.093 -7.368 -3.825 594 HD1 HIS 83 HD1 HIS 83 -5.985 -4.912 -3.635 595 HD2 HIS 83 HD2 HIS 83 -4.194 -6.390 -0.141 596 HE1 HIS 83 HE1 HIS 83 -6.613 -3.289 -1.768 597 H VAL 84 H VAL 84 -2.196 -9.269 -3.838 598 HA VAL 84 HA VAL 84 -3.646 -10.929 -5.515 599 HB VAL 84 HB VAL 84 -0.731 -10.933 -4.712 600 1HG1 VAL 84 3HG1 VAL 84 -1.326 -13.108 -5.662 601 2HG1 VAL 84 1HG1 VAL 84 -2.073 -12.308 -7.066 602 3HG1 VAL 84 2HG1 VAL 84 -0.318 -12.180 -6.798 603 1HG2 VAL 84 2HG2 VAL 84 -2.215 -9.039 -6.119 604 2HG2 VAL 84 3HG2 VAL 84 -0.444 -9.211 -6.113 605 3HG2 VAL 84 1HG2 VAL 84 -1.409 -9.990 -7.390 606 H GLU 85 H GLU 85 -2.095 -11.522 -2.338 607 HA GLU 85 HA GLU 85 -2.482 -14.317 -2.502 608 1HB GLU 85 1HB GLU 85 -1.391 -12.364 -0.564 609 2HB GLU 85 2HB GLU 85 -2.187 -13.725 0.202 610 1HG GLU 85 1HG GLU 85 -0.577 -14.710 -2.003 611 2HG GLU 85 2HG GLU 85 0.413 -13.658 -1.011 612 H VAL 86 H VAL 86 -4.332 -11.517 -1.298 613 HA VAL 86 HA VAL 86 -6.202 -13.102 0.161 614 HB VAL 86 HB VAL 86 -6.289 -10.243 -0.825 615 1HG1 VAL 86 1HG1 VAL 86 -8.502 -11.462 -0.190 616 2HG1 VAL 86 2HG1 VAL 86 -7.900 -11.326 1.480 617 3HG1 VAL 86 3HG1 VAL 86 -8.162 -9.859 0.506 618 1HG2 VAL 86 1HG2 VAL 86 -4.858 -11.549 1.352 619 2HG2 VAL 86 2HG2 VAL 86 -4.713 -9.891 0.722 620 3HG2 VAL 86 3HG2 VAL 86 -5.948 -10.273 1.946 621 H ALA 87 H ALA 87 -6.312 -11.263 -2.974 622 HA ALA 87 HA ALA 87 -8.856 -12.238 -3.669 623 1HB ALA 87 3HB ALA 87 -7.378 -10.208 -4.524 624 2HB ALA 87 1HB ALA 87 -6.818 -11.403 -5.719 625 3HB ALA 87 2HB ALA 87 -8.548 -11.000 -5.608 626 H GLY 88 H GLY 88 -5.495 -13.365 -4.262 627 1HA GLY 88 1HA GLY 88 -4.721 -15.191 -5.367 628 2HA GLY 88 2HA GLY 88 -5.891 -16.008 -4.350 629 H ALA 89 H ALA 89 -7.241 -17.358 -5.440 630 HA ALA 89 HA ALA 89 -7.903 -16.614 -8.207 631 1HB ALA 89 3HB ALA 89 -7.141 -19.172 -6.871 632 2HB ALA 89 1HB ALA 89 -8.418 -19.267 -8.107 633 3HB ALA 89 2HB ALA 89 -6.820 -18.607 -8.528 634 H ASP 90 H ASP 90 -9.471 -15.217 -6.695 635 HA ASP 90 HA ASP 90 -11.779 -16.897 -6.116 636 1HB ASP 90 1HB ASP 90 -10.614 -15.252 -4.376 637 2HB ASP 90 2HB ASP 90 -11.500 -14.010 -5.238 638 H ALA 91 H ALA 91 -10.379 -14.480 -8.191 639 HA ALA 91 HA ALA 91 -11.136 -13.291 -9.895 640 1HB ALA 91 2HB ALA 91 -12.474 -15.711 -10.011 641 2HB ALA 91 3HB ALA 91 -13.803 -14.531 -10.101 642 3HB ALA 91 1HB ALA 91 -12.477 -14.469 -11.286 643 H ALA 92 H ALA 92 -12.349 -11.380 -10.339 644 HA ALA 92 HA ALA 92 -13.838 -9.749 -9.954 645 1HB ALA 92 1HB ALA 92 -15.267 -11.779 -8.987 646 2HB ALA 92 2HB ALA 92 -14.895 -10.995 -7.433 647 3HB ALA 92 3HB ALA 92 -15.754 -10.091 -8.703 648 H LYS 93 H LYS 93 -12.459 -11.214 -6.934 649 HA LYS 93 HA LYS 93 -12.143 -8.720 -5.657 650 1HB LYS 93 1HB LYS 93 -10.916 -11.445 -5.152 651 2HB LYS 93 2HB LYS 93 -10.683 -10.061 -4.103 652 1HG LYS 93 1HG LYS 93 -13.526 -10.444 -4.747 653 2HG LYS 93 2HG LYS 93 -12.837 -11.887 -4.032 654 1HD LYS 93 1HD LYS 93 -11.897 -10.450 -2.162 655 2HD LYS 93 2HD LYS 93 -12.730 -9.071 -2.853 656 1HE LYS 93 1HE LYS 93 -14.856 -9.878 -2.275 657 2HE LYS 93 2HE LYS 93 -14.353 -11.556 -2.317 658 1HZ LYS 93 1HZ LYS 93 -13.952 -11.443 -0.124 659 2HZ LYS 93 2HZ LYS 93 -12.893 -10.219 -0.306 660 H LYS 94 H LYS 94 -9.970 -10.833 -7.618 661 HA LYS 94 HA LYS 94 -7.694 -9.227 -7.263 662 1HB LYS 94 1HB LYS 94 -8.029 -11.690 -8.150 663 2HB LYS 94 2HB LYS 94 -8.121 -10.906 -9.714 664 1HG LYS 94 1HG LYS 94 -5.911 -10.075 -9.586 665 2HG LYS 94 2HG LYS 94 -5.871 -10.153 -7.835 666 1HD LYS 94 1HD LYS 94 -4.610 -12.040 -8.271 667 2HD LYS 94 2HD LYS 94 -6.193 -12.790 -8.308 668 1HE LYS 94 1HE LYS 94 -6.231 -12.935 -10.658 669 2HE LYS 94 2HE LYS 94 -5.127 -11.590 -10.868 670 1HZ LYS 94 1HZ LYS 94 -4.448 -14.267 -10.844 671 2HZ LYS 94 2HZ LYS 94 -3.405 -13.016 -10.846 672 H LYS 95 H LYS 95 -10.649 -8.602 -8.832 673 HA LYS 95 HA LYS 95 -9.379 -6.807 -10.759 674 1HB LYS 95 1HB LYS 95 -11.488 -8.571 -11.026 675 2HB LYS 95 2HB LYS 95 -12.308 -7.040 -10.798 676 1HG LYS 95 1HG LYS 95 -11.307 -6.059 -12.710 677 2HG LYS 95 2HG LYS 95 -9.968 -7.190 -12.715 678 1HD LYS 95 1HD LYS 95 -12.624 -8.487 -13.021 679 2HD LYS 95 2HD LYS 95 -12.229 -7.380 -14.320 680 1HE LYS 95 1HE LYS 95 -9.911 -9.041 -13.620 681 2HE LYS 95 2HE LYS 95 -11.299 -10.037 -14.014 682 1HZ LYS 95 1HZ LYS 95 -10.540 -9.625 -16.117 683 2HZ LYS 95 2HZ LYS 95 -11.435 -8.271 -15.993 684 H ASP 96 H ASP 96 -10.746 -6.914 -7.607 685 HA ASP 96 HA ASP 96 -11.195 -4.036 -7.768 686 1HB ASP 96 1HB ASP 96 -12.830 -6.199 -6.684 687 2HB ASP 96 2HB ASP 96 -12.410 -5.080 -5.402 688 H LEU 97 H LEU 97 -8.982 -6.305 -6.914 689 HA LEU 97 HA LEU 97 -8.193 -4.852 -4.486 690 1HB LEU 97 1HB LEU 97 -8.097 -7.808 -5.064 691 2HB LEU 97 2HB LEU 97 -7.109 -7.059 -3.825 692 HG LEU 97 HG LEU 97 -10.102 -7.368 -3.921 693 1HD1 LEU 97 1HD1 LEU 97 -8.554 -9.106 -2.908 694 2HD1 LEU 97 2HD1 LEU 97 -8.191 -7.906 -1.644 695 3HD1 LEU 97 3HD1 LEU 97 -9.857 -8.493 -1.861 696 1HD2 LEU 97 2HD2 LEU 97 -8.540 -5.222 -2.555 697 2HD2 LEU 97 3HD2 LEU 97 -10.173 -5.185 -3.261 698 3HD2 LEU 97 1HD2 LEU 97 -9.903 -5.963 -1.683 699 H THR 98 H THR 98 -7.140 -6.815 -7.336 700 HA THR 98 HA THR 98 -4.616 -5.293 -7.260 701 HB THR 98 HB THR 98 -3.530 -7.290 -8.099 702 HG1 THR 98 HG1 THR 98 -5.168 -7.953 -9.597 703 1HG2 THR 98 2HG2 THR 98 -5.700 -8.216 -6.142 704 2HG2 THR 98 3HG2 THR 98 -4.195 -9.092 -6.513 705 3HG2 THR 98 1HG2 THR 98 -4.129 -7.526 -5.670 706 H GLY 99 H GLY 99 -7.535 -5.155 -8.640 707 1HA GLY 99 1HA GLY 99 -7.066 -5.286 -11.406 708 2HA GLY 99 2HA GLY 99 -8.333 -4.387 -10.596 709 H CYS 100 H CYS 100 -6.392 -3.759 -12.925 710 HA CYS 100 HA CYS 100 -4.764 -1.657 -11.890 711 1HB CYS 100 1HB CYS 100 -5.360 -2.759 -14.612 712 2HB CYS 100 2HB CYS 100 -4.611 -1.181 -14.469 713 H LYS 101 H LYS 101 -7.776 -1.971 -13.897 714 HA LYS 101 HA LYS 101 -8.431 0.775 -13.089 715 1HB LYS 101 1HB LYS 101 -7.690 0.542 -15.501 716 2HB LYS 101 2HB LYS 101 -9.107 -0.451 -15.774 717 1HG LYS 101 1HG LYS 101 -10.468 1.516 -14.731 718 2HG LYS 101 2HG LYS 101 -9.013 2.472 -14.933 719 1HD LYS 101 1HD LYS 101 -9.922 0.887 -17.319 720 2HD LYS 101 2HD LYS 101 -10.916 2.257 -16.863 721 1HE LYS 101 1HE LYS 101 -9.251 3.818 -17.349 722 2HE LYS 101 2HE LYS 101 -7.946 2.718 -16.951 723 1HZ LYS 101 1HZ LYS 101 -8.516 1.479 -19.026 724 2HZ LYS 101 2HZ LYS 101 -9.605 2.626 -19.412 725 H LYS 102 H LYS 102 -10.587 1.158 -12.484 726 HA LYS 102 HA LYS 102 -12.612 0.677 -11.745 727 1HB LYS 102 1HB LYS 102 -12.434 -1.692 -13.630 728 2HB LYS 102 2HB LYS 102 -13.888 -1.205 -12.782 729 1HG LYS 102 1HG LYS 102 -12.330 0.720 -14.560 730 2HG LYS 102 2HG LYS 102 -13.591 -0.318 -15.194 731 1HD LYS 102 1HD LYS 102 -14.919 0.750 -13.053 732 2HD LYS 102 2HD LYS 102 -13.818 2.069 -13.398 733 1HE LYS 102 1HE LYS 102 -14.757 2.506 -15.490 734 2HE LYS 102 2HE LYS 102 -15.236 0.840 -15.748 735 1HZ LYS 102 1HZ LYS 102 -16.556 2.287 -13.569 736 2HZ LYS 102 2HZ LYS 102 -16.997 2.670 -15.089 737 H SER 103 H SER 103 -10.536 0.158 -10.055 738 HA SER 103 HA SER 103 -11.383 -2.360 -8.849 739 1HB SER 103 1HB SER 103 -8.979 -2.200 -7.764 740 2HB SER 103 2HB SER 103 -9.169 -2.849 -9.381 741 HG SER 103 HG SER 103 -8.742 -0.033 -9.054 742 H LYS 104 H LYS 104 -10.292 -2.150 -6.327 743 HA LYS 104 HA LYS 104 -11.937 -0.125 -5.174 744 1HB LYS 104 1HB LYS 104 -10.040 -2.160 -3.971 745 2HB LYS 104 2HB LYS 104 -11.044 -1.077 -3.029 746 1HG LYS 104 1HG LYS 104 -12.297 -2.802 -5.188 747 2HG LYS 104 2HG LYS 104 -11.931 -3.496 -3.621 748 1HD LYS 104 1HD LYS 104 -13.224 -0.958 -3.168 749 2HD LYS 104 2HD LYS 104 -14.168 -1.827 -4.362 750 1HE LYS 104 1HE LYS 104 -13.701 -3.867 -2.606 751 2HE LYS 104 2HE LYS 104 -13.633 -2.517 -1.491 752 1HZ LYS 104 1HZ LYS 104 -15.895 -3.135 -3.314 753 2HZ LYS 104 2HZ LYS 104 -15.904 -3.278 -1.692 754 H CYS 105 H CYS 105 -8.543 -0.488 -6.089 755 HA CYS 105 HA CYS 105 -7.741 1.741 -4.456 756 1HB CYS 105 1HB CYS 105 -6.155 0.242 -6.567 757 2HB CYS 105 2HB CYS 105 -5.517 1.364 -5.381 758 H HIS 106 H HIS 106 -7.416 0.994 -8.009 759 HA HIS 106 HA HIS 106 -7.687 3.835 -8.531 760 1HB HIS 106 1HB HIS 106 -6.909 1.529 -10.338 761 2HB HIS 106 2HB HIS 106 -6.958 3.213 -10.821 762 HD1 HIS 106 HD1 HIS 106 -5.443 4.747 -8.817 763 HD2 HIS 106 HD2 HIS 106 -4.331 0.832 -9.834 764 HE1 HIS 106 HE1 HIS 106 -2.987 4.510 -8.168 765 H GLU 107 H GLU 107 -9.375 4.752 -9.722 766 HA GLU 107 HA GLU 107 -11.408 2.893 -10.638 767 1HB GLU 107 1HB GLU 107 -11.817 5.230 -8.739 768 2HB GLU 107 2HB GLU 107 -13.134 4.595 -9.705 769 1HG GLU 107 1HG GLU 107 -12.514 2.265 -8.740 770 2HG GLU 107 2HG GLU 107 -11.504 3.122 -7.593 771 HHA HEC 108 HHA HEC 108 -0.912 6.609 7.479 772 HHB HEC 108 HHB HEC 108 -1.709 3.918 13.244 773 HHC HEC 108 HHC HEC 108 -2.632 -1.783 10.468 774 HHD HEC 108 HHD HEC 108 -1.245 0.833 4.722 775 1HMA HEC 108 1HMA HEC 108 -0.235 6.724 13.079 776 2HMA HEC 108 2HMA HEC 108 -1.763 7.542 12.673 777 3HMA HEC 108 3HMA HEC 108 -1.790 5.951 13.472 778 1HAA HEC 108 1HAA HEC 108 -0.305 7.971 8.904 779 2HAA HEC 108 2HAA HEC 108 -1.726 8.458 9.859 780 1HBA HEC 108 1HBA HEC 108 0.487 7.864 11.610 781 2HBA HEC 108 2HBA HEC 108 0.972 9.038 10.363 782 1HMB HEC 108 1HMB HEC 108 -1.841 1.245 15.074 783 2HMB HEC 108 2HMB HEC 108 -2.644 2.757 14.585 784 3HMB HEC 108 3HMB HEC 108 -3.605 1.279 14.836 785 HAB HEC 108 HAB HEC 108 -3.308 -1.920 12.333 786 1HBB HEC 108 1HBB HEC 108 -4.061 -0.964 15.010 787 2HBB HEC 108 2HBB HEC 108 -4.891 -0.147 13.665 788 3HBB HEC 108 3HBB HEC 108 -4.979 -1.918 13.821 789 1HMC HEC 108 1HMC HEC 108 -1.721 -3.743 7.640 790 2HMC HEC 108 2HMC HEC 108 -2.610 -3.240 9.098 791 3HMC HEC 108 3HMC HEC 108 -3.461 -3.385 7.541 792 HAC HEC 108 HAC HEC 108 -2.063 -1.096 4.396 793 1HBC HEC 108 1HBC HEC 108 -3.031 -3.108 3.984 794 2HBC HEC 108 2HBC HEC 108 -2.242 -3.904 5.367 795 3HBC HEC 108 3HBC HEC 108 -3.644 -2.841 5.634 796 1HMD HEC 108 1HMD HEC 108 0.126 3.909 3.030 797 2HMD HEC 108 2HMD HEC 108 0.002 2.181 3.440 798 3HMD HEC 108 3HMD HEC 108 -1.452 3.088 2.957 799 1HAD HEC 108 1HAD HEC 108 -0.635 6.848 5.487 800 2HAD HEC 108 2HAD HEC 108 0.803 6.079 4.772 801 1HBD HEC 108 1HBD HEC 108 -1.487 5.368 3.212 802 2HBD HEC 108 2HBD HEC 108 -1.475 7.130 3.462 803 HHA HEC 109 HHA HEC 109 11.681 -2.225 1.671 804 HHB HEC 109 HHB HEC 109 5.311 -1.574 1.339 805 HHC HEC 109 HHC HEC 109 5.598 3.310 5.483 806 HHD HEC 109 HHD HEC 109 12.059 3.293 4.916 807 1HMA HEC 109 1HMA HEC 109 7.228 -4.546 0.028 808 2HMA HEC 109 2HMA HEC 109 5.880 -3.632 0.746 809 3HMA HEC 109 3HMA HEC 109 6.569 -3.123 -0.815 810 1HAA HEC 109 1HAA HEC 109 10.947 -3.868 0.754 811 2HAA HEC 109 2HAA HEC 109 9.492 -4.791 0.306 812 1HBA HEC 109 1HBA HEC 109 9.313 -3.453 -1.761 813 2HBA HEC 109 2HBA HEC 109 10.814 -2.605 -1.318 814 1HMB HEC 109 1HMB HEC 109 2.295 0.001 3.059 815 2HMB HEC 109 2HMB HEC 109 3.069 -0.115 1.460 816 3HMB HEC 109 3HMB HEC 109 3.275 -1.426 2.646 817 HAB HEC 109 HAB HEC 109 3.700 2.793 5.313 818 1HBB HEC 109 1HBB HEC 109 2.159 1.510 6.247 819 2HBB HEC 109 2HBB HEC 109 1.319 1.341 4.687 820 3HBB HEC 109 3HBB HEC 109 2.598 0.188 5.139 821 1HMC HEC 109 1HMC HEC 109 7.827 5.265 7.684 822 2HMC HEC 109 2HMC HEC 109 7.406 6.070 6.153 823 3HMC HEC 109 3HMC HEC 109 6.397 4.737 6.765 824 HAC HEC 109 HAC HEC 109 11.603 4.810 6.062 825 1HBC HEC 109 1HBC HEC 109 10.536 4.204 8.305 826 2HBC HEC 109 2HBC HEC 109 11.483 5.708 8.219 827 3HBC HEC 109 3HBC HEC 109 9.704 5.774 8.194 828 1HMD HEC 109 1HMD HEC 109 14.837 1.114 4.560 829 2HMD HEC 109 2HMD HEC 109 14.681 2.216 3.171 830 3HMD HEC 109 3HMD HEC 109 13.892 2.614 4.716 831 1HAD HEC 109 1HAD HEC 109 13.631 -1.906 2.137 832 2HAD HEC 109 2HAD HEC 109 14.354 -0.449 1.413 833 1HBD HEC 109 1HBD HEC 109 14.846 -0.867 4.309 834 2HBD HEC 109 2HBD HEC 109 15.620 -2.010 3.186 835 HHA HEC 110 HHA HEC 110 -10.191 -4.819 0.802 836 HHB HEC 110 HHB HEC 110 -6.369 0.043 -0.891 837 HHC HEC 110 HHC HEC 110 -1.448 -2.838 2.032 838 HHD HEC 110 HHD HEC 110 -5.131 -7.998 3.117 839 1HMA HEC 110 1HMA HEC 110 -8.559 -0.078 -2.294 840 2HMA HEC 110 2HMA HEC 110 -10.145 -0.099 -1.485 841 3HMA HEC 110 3HMA HEC 110 -8.769 0.738 -0.727 842 1HAA HEC 110 1HAA HEC 110 -11.304 -1.770 -1.177 843 2HAA HEC 110 2HAA HEC 110 -11.172 -3.530 -0.943 844 1HBA HEC 110 1HBA HEC 110 -12.594 -3.201 0.746 845 2HBA HEC 110 2HBA HEC 110 -11.170 -2.615 1.639 846 1HMB HEC 110 1HMB HEC 110 -3.885 1.763 -0.114 847 2HMB HEC 110 2HMB HEC 110 -2.876 1.062 -1.403 848 3HMB HEC 110 3HMB HEC 110 -4.651 0.983 -1.519 849 HAB HEC 110 HAB HEC 110 -0.757 -1.154 1.221 850 1HBB HEC 110 1HBB HEC 110 -0.562 1.473 0.259 851 2HBB HEC 110 2HBB HEC 110 -2.129 1.380 1.099 852 3HBB HEC 110 3HBB HEC 110 -0.633 0.932 1.954 853 1HMC HEC 110 1HMC HEC 110 -0.150 -4.584 2.137 854 2HMC HEC 110 2HMC HEC 110 -0.305 -5.219 3.793 855 3HMC HEC 110 3HMC HEC 110 -0.052 -6.337 2.432 856 HAC HEC 110 HAC HEC 110 -3.209 -8.209 4.164 857 1HBC HEC 110 1HBC HEC 110 -1.117 -8.637 5.019 858 2HBC HEC 110 2HBC HEC 110 -0.276 -7.919 3.624 859 3HBC HEC 110 3HBC HEC 110 -1.068 -6.869 4.823 860 1HMD HEC 110 1HMD HEC 110 -8.651 -8.846 3.961 861 2HMD HEC 110 2HMD HEC 110 -7.694 -9.569 2.647 862 3HMD HEC 110 3HMD HEC 110 -6.873 -8.793 4.022 863 1HAD HEC 110 1HAD HEC 110 -10.351 -8.186 2.598 864 2HAD HEC 110 2HAD HEC 110 -10.812 -6.485 2.844 865 1HBD HEC 110 1HBD HEC 110 -10.281 -6.799 0.081 866 2HBD HEC 110 2HBD HEC 110 -11.279 -8.182 0.589 867 HHA HEC 111 HHA HEC 111 0.462 5.557 -7.670 868 HHB HEC 111 HHB HEC 111 -0.537 2.061 -12.950 869 HHC HEC 111 HHC HEC 111 -3.219 -2.559 -9.408 870 HHD HEC 111 HHD HEC 111 -2.981 1.363 -4.258 871 1HMA HEC 111 1HMA HEC 111 0.016 4.526 -13.457 872 2HMA HEC 111 2HMA HEC 111 1.471 5.323 -12.811 873 3HMA HEC 111 3HMA HEC 111 1.495 3.579 -13.167 874 1HAA HEC 111 1HAA HEC 111 0.738 6.951 -10.690 875 2HAA HEC 111 2HAA HEC 111 1.422 6.440 -9.128 876 1HBA HEC 111 1HBA HEC 111 3.452 6.346 -10.005 877 2HBA HEC 111 2HBA HEC 111 2.903 5.230 -11.279 878 1HMB HEC 111 1HMB HEC 111 -0.087 0.032 -13.894 879 2HMB HEC 111 2HMB HEC 111 -0.875 -1.556 -14.051 880 3HMB HEC 111 3HMB HEC 111 -1.789 -0.071 -14.408 881 HAB HEC 111 HAB HEC 111 -3.392 -3.059 -11.543 882 1HBB HEC 111 1HBB HEC 111 -0.493 -3.643 -12.194 883 2HBB HEC 111 2HBB HEC 111 -1.256 -3.849 -10.599 884 3HBB HEC 111 3HBB HEC 111 -1.803 -4.829 -11.981 885 1HMC HEC 111 1HMC HEC 111 -4.134 -3.638 -6.314 886 2HMC HEC 111 2HMC HEC 111 -5.634 -2.747 -6.668 887 3HMC HEC 111 3HMC HEC 111 -4.555 -3.236 -7.996 888 HAC HEC 111 HAC HEC 111 -3.935 -0.285 -3.697 889 1HBC HEC 111 1HBC HEC 111 -3.113 -2.611 -3.778 890 2HBC HEC 111 2HBC HEC 111 -4.608 -2.434 -2.829 891 3HBC HEC 111 3HBC HEC 111 -4.673 -3.116 -4.472 892 1HMD HEC 111 1HMD HEC 111 -1.112 4.356 -2.796 893 2HMD HEC 111 2HMD HEC 111 -2.722 3.657 -3.094 894 3HMD HEC 111 3HMD HEC 111 -1.325 2.589 -2.816 895 1HAD HEC 111 1HAD HEC 111 0.532 5.434 -4.022 896 2HAD HEC 111 2HAD HEC 111 0.768 5.964 -5.705 897 1HBD HEC 111 1HBD HEC 111 -1.777 6.736 -5.374 898 2HBD HEC 111 2HBD HEC 111 -1.225 6.830 -3.685 No H/Q in entry = 898 Start of MODEL 9 1 1H ALA 1 1H ALA 1 -1.879 2.797 23.077 2 2H ALA 1 2H ALA 1 -0.894 1.474 22.935 3 HA ALA 1 HA ALA 1 0.368 3.586 21.733 4 1HB ALA 1 2HB ALA 1 -0.752 0.901 20.959 5 2HB ALA 1 3HB ALA 1 -0.178 2.001 19.683 6 3HB ALA 1 1HB ALA 1 0.935 1.468 20.965 7 HA PRO 2 HA PRO 2 -2.827 5.819 19.861 8 1HB PRO 2 1HB PRO 2 -1.760 6.583 17.464 9 2HB PRO 2 2HB PRO 2 -1.371 7.371 18.980 10 1HG PRO 2 1HG PRO 2 0.268 5.490 17.394 11 2HG PRO 2 2HG PRO 2 0.778 6.597 18.653 12 1HD PRO 2 1HD PRO 2 0.436 3.760 18.898 13 2HD PRO 2 2HD PRO 2 0.832 4.883 20.184 14 H LYS 3 H LYS 3 -4.743 5.655 18.776 15 HA LYS 3 HA LYS 3 -5.095 3.121 17.509 16 1HB LYS 3 1HB LYS 3 -6.781 5.327 18.501 17 2HB LYS 3 2HB LYS 3 -7.409 4.537 17.068 18 1HG LYS 3 1HG LYS 3 -6.897 2.293 18.307 19 2HG LYS 3 2HG LYS 3 -6.729 3.273 19.750 20 1HD LYS 3 1HD LYS 3 -8.982 3.522 19.961 21 2HD LYS 3 2HD LYS 3 -9.160 4.001 18.285 22 1HE LYS 3 1HE LYS 3 -8.921 1.509 17.668 23 2HE LYS 3 2HE LYS 3 -9.048 1.156 19.380 24 1HZ LYS 3 1HZ LYS 3 -11.254 1.690 19.385 25 2HZ LYS 3 2HZ LYS 3 -11.113 2.908 18.313 26 H ALA 4 H ALA 4 -6.378 3.109 15.312 27 HA ALA 4 HA ALA 4 -4.614 4.172 13.388 28 1HB ALA 4 2HB ALA 4 -5.993 2.049 13.243 29 2HB ALA 4 3HB ALA 4 -7.420 3.077 12.971 30 3HB ALA 4 1HB ALA 4 -6.075 3.095 11.806 31 HA PRO 5 HA PRO 5 -6.434 8.017 12.611 32 1HB PRO 5 1HB PRO 5 -5.796 8.439 9.988 33 2HB PRO 5 2HB PRO 5 -4.662 8.685 11.302 34 1HG PRO 5 1HG PRO 5 -4.782 6.471 9.347 35 2HG PRO 5 2HG PRO 5 -3.447 6.960 10.371 36 1HD PRO 5 1HD PRO 5 -5.188 4.717 10.775 37 2HD PRO 5 2HD PRO 5 -3.928 5.274 11.858 38 H ALA 6 H ALA 6 -7.977 9.341 11.244 39 HA ALA 6 HA ALA 6 -10.371 7.966 11.144 40 1HB ALA 6 1HB ALA 6 -9.305 10.603 10.428 41 2HB ALA 6 2HB ALA 6 -10.628 10.090 9.354 42 3HB ALA 6 3HB ALA 6 -10.888 10.162 11.113 43 H ASP 7 H ASP 7 -11.730 8.061 8.896 44 HA ASP 7 HA ASP 7 -10.243 6.267 7.204 45 1HB ASP 7 1HB ASP 7 -13.150 7.103 6.874 46 2HB ASP 7 2HB ASP 7 -12.386 5.639 6.288 47 H GLY 8 H GLY 8 -10.953 6.559 4.685 48 1HA GLY 8 1HA GLY 8 -11.107 7.856 2.833 49 2HA GLY 8 2HA GLY 8 -11.459 9.251 3.833 50 H LEU 9 H LEU 9 -8.617 7.285 4.592 51 HA LEU 9 HA LEU 9 -6.931 9.548 4.164 52 1HB LEU 9 1HB LEU 9 -6.449 8.262 6.049 53 2HB LEU 9 2HB LEU 9 -6.559 6.747 5.175 54 HG LEU 9 HG LEU 9 -4.238 7.882 5.908 55 1HD1 LEU 9 1HD1 LEU 9 -4.888 5.640 4.677 56 2HD1 LEU 9 2HD1 LEU 9 -4.215 6.486 3.263 57 3HD1 LEU 9 3HD1 LEU 9 -3.208 6.228 4.708 58 1HD2 LEU 9 2HD2 LEU 9 -4.953 9.772 4.169 59 2HD2 LEU 9 3HD2 LEU 9 -3.257 9.292 4.419 60 3HD2 LEU 9 1HD2 LEU 9 -4.168 8.651 3.031 61 H LYS 10 H LYS 10 -6.652 10.147 2.050 62 HA LYS 10 HA LYS 10 -5.869 8.000 0.207 63 1HB LYS 10 1HB LYS 10 -7.177 8.910 -1.359 64 2HB LYS 10 2HB LYS 10 -7.930 9.798 -0.050 65 1HG LYS 10 1HG LYS 10 -5.970 11.532 -0.422 66 2HG LYS 10 2HG LYS 10 -5.781 10.741 -1.974 67 1HD LYS 10 1HD LYS 10 -8.567 11.551 -1.160 68 2HD LYS 10 2HD LYS 10 -7.459 12.827 -1.622 69 1HE LYS 10 1HE LYS 10 -7.660 12.304 -3.824 70 2HE LYS 10 2HE LYS 10 -7.248 10.627 -3.522 71 1HZ LYS 10 1HZ LYS 10 -9.529 10.932 -4.416 72 2HZ LYS 10 2HZ LYS 10 -9.549 10.177 -2.973 73 H MET 11 H MET 11 -4.104 8.458 -1.299 74 HA MET 11 HA MET 11 -2.383 10.599 -0.325 75 1HB MET 11 1HB MET 11 -0.442 8.987 -0.760 76 2HB MET 11 2HB MET 11 -1.481 8.504 0.566 77 1HG MET 11 1HG MET 11 -2.585 7.400 -1.867 78 2HG MET 11 2HG MET 11 -0.871 7.038 -1.843 79 1HE MET 11 1HE MET 11 0.358 5.774 -0.126 80 2HE MET 11 2HE MET 11 -0.423 4.372 0.643 81 3HE MET 11 3HE MET 11 -0.496 4.573 -1.124 82 H GLU 12 H GLU 12 -1.974 12.029 -1.949 83 HA GLU 12 HA GLU 12 -2.062 10.949 -4.656 84 1HB GLU 12 1HB GLU 12 -3.772 12.722 -3.986 85 2HB GLU 12 2HB GLU 12 -2.445 13.853 -3.815 86 1HG GLU 12 1HG GLU 12 -2.697 12.286 -6.391 87 2HG GLU 12 2HG GLU 12 -3.773 13.643 -6.122 88 H ALA 13 H ALA 13 0.259 10.254 -4.023 89 HA ALA 13 HA ALA 13 2.122 12.498 -4.108 90 1HB ALA 13 2HB ALA 13 2.428 10.800 -2.358 91 2HB ALA 13 3HB ALA 13 2.515 9.522 -3.594 92 3HB ALA 13 1HB ALA 13 3.788 10.762 -3.505 93 H THR 14 H THR 14 0.527 10.231 -6.153 94 HA THR 14 HA THR 14 2.518 10.774 -8.252 95 HB THR 14 HB THR 14 2.355 8.489 -8.983 96 HG1 THR 14 HG1 THR 14 0.104 8.546 -7.103 97 1HG2 THR 14 1HG2 THR 14 3.574 8.710 -6.736 98 2HG2 THR 14 2HG2 THR 14 2.042 8.264 -5.948 99 3HG2 THR 14 3HG2 THR 14 2.855 7.110 -7.032 100 H LYS 15 H LYS 15 1.394 10.123 -10.500 101 HA LYS 15 HA LYS 15 -0.647 12.034 -10.797 102 1HB LYS 15 1HB LYS 15 1.073 11.356 -12.508 103 2HB LYS 15 2HB LYS 15 0.179 9.869 -12.748 104 1HG LYS 15 1HG LYS 15 -1.751 11.023 -13.582 105 2HG LYS 15 2HG LYS 15 -1.211 12.565 -12.950 106 1HD LYS 15 1HD LYS 15 0.187 12.968 -14.735 107 2HD LYS 15 2HD LYS 15 0.695 11.295 -14.853 108 1HE LYS 15 1HE LYS 15 -1.939 11.059 -15.618 109 2HE LYS 15 2HE LYS 15 -1.595 12.682 -16.184 110 1HZ LYS 15 1HZ LYS 15 0.568 11.004 -16.870 111 2HZ LYS 15 2HZ LYS 15 -0.804 10.289 -17.378 112 H GLN 16 H GLN 16 -0.688 8.866 -9.541 113 HA GLN 16 HA GLN 16 -3.551 8.746 -10.086 114 1HB GLN 16 1HB GLN 16 -1.734 6.324 -9.737 115 2HB GLN 16 2HB GLN 16 -3.429 6.311 -10.182 116 1HG GLN 16 1HG GLN 16 -1.676 7.972 -11.942 117 2HG GLN 16 2HG GLN 16 -1.355 6.250 -11.991 118 1HE2 GLN 16 2HE2 GLN 16 -4.688 5.357 -13.112 119 2HE2 GLN 16 1HE2 GLN 16 -3.497 4.906 -11.938 120 HA PRO 17 HA PRO 17 -3.265 8.937 -5.663 121 1HB PRO 17 1HB PRO 17 -5.746 10.003 -5.239 122 2HB PRO 17 2HB PRO 17 -4.316 10.980 -5.512 123 1HG PRO 17 1HG PRO 17 -6.544 10.396 -7.365 124 2HG PRO 17 2HG PRO 17 -5.351 11.676 -7.452 125 1HD PRO 17 1HD PRO 17 -5.397 9.265 -9.005 126 2HD PRO 17 2HD PRO 17 -4.144 10.490 -9.008 127 H VAL 18 H VAL 18 -4.338 7.946 -3.797 128 HA VAL 18 HA VAL 18 -6.259 5.920 -4.627 129 HB VAL 18 HB VAL 18 -3.621 5.360 -3.261 130 1HG1 VAL 18 2HG1 VAL 18 -6.150 3.754 -3.454 131 2HG1 VAL 18 3HG1 VAL 18 -4.580 2.917 -3.504 132 3HG1 VAL 18 1HG1 VAL 18 -5.007 3.924 -2.100 133 1HG2 VAL 18 1HG2 VAL 18 -4.668 4.995 -6.009 134 2HG2 VAL 18 2HG2 VAL 18 -2.996 5.181 -5.429 135 3HG2 VAL 18 3HG2 VAL 18 -3.804 3.598 -5.322 136 H VAL 19 H VAL 19 -7.479 5.039 -2.793 137 HA VAL 19 HA VAL 19 -7.287 6.792 -0.441 138 HB VAL 19 HB VAL 19 -9.689 5.755 -1.943 139 1HG1 VAL 19 1HG1 VAL 19 -9.428 6.132 0.896 140 2HG1 VAL 19 2HG1 VAL 19 -10.526 7.369 0.236 141 3HG1 VAL 19 3HG1 VAL 19 -10.856 5.642 -0.047 142 1HG2 VAL 19 3HG2 VAL 19 -8.454 7.947 -2.555 143 2HG2 VAL 19 1HG2 VAL 19 -10.222 7.995 -2.359 144 3HG2 VAL 19 2HG2 VAL 19 -9.165 8.591 -1.056 145 H PHE 20 H PHE 20 -6.577 5.666 1.290 146 HA PHE 20 HA PHE 20 -7.097 2.785 1.327 147 1HB PHE 20 1HB PHE 20 -4.751 3.833 1.528 148 2HB PHE 20 2HB PHE 20 -5.289 4.658 2.978 149 HD1 PHE 20 HD2 PHE 20 -5.075 1.183 1.574 150 HD2 PHE 20 HD1 PHE 20 -4.847 3.679 5.041 151 HE1 PHE 20 HE2 PHE 20 -4.378 -0.819 2.978 152 HE2 PHE 20 HE1 PHE 20 -4.151 1.668 6.434 153 HZ PHE 20 HZ PHE 20 -3.919 -0.585 5.279 154 H ASN 21 H ASN 21 -7.547 1.805 3.526 155 HA ASN 21 HA ASN 21 -8.930 3.656 5.267 156 1HB ASN 21 1HB ASN 21 -10.138 1.122 4.048 157 2HB ASN 21 2HB ASN 21 -10.825 1.914 5.452 158 1HD2 ASN 21 2HD2 ASN 21 -11.115 3.527 1.666 159 2HD2 ASN 21 1HD2 ASN 21 -10.019 2.243 2.053 160 H HIS 22 H HIS 22 -8.785 2.981 7.485 161 HA HIS 22 HA HIS 22 -7.056 0.684 7.902 162 1HB HIS 22 1HB HIS 22 -7.743 3.145 9.475 163 2HB HIS 22 2HB HIS 22 -7.147 1.732 10.322 164 HD1 HIS 22 HD1 HIS 22 -6.076 4.462 7.984 165 HD2 HIS 22 HD2 HIS 22 -4.428 1.054 9.791 166 HE1 HIS 22 HE1 HIS 22 -3.552 4.630 7.657 167 H SER 23 H SER 23 -10.379 1.702 8.123 168 HA SER 23 HA SER 23 -11.068 -0.096 10.199 169 1HB SER 23 1HB SER 23 -12.340 1.999 8.674 170 2HB SER 23 2HB SER 23 -13.353 0.571 8.584 171 HG SER 23 HG SER 23 -13.372 0.461 10.902 172 H THR 24 H THR 24 -9.969 -0.635 7.113 173 HA THR 24 HA THR 24 -11.767 -2.920 6.661 174 HB THR 24 HB THR 24 -9.956 -1.276 4.819 175 HG1 THR 24 HG1 THR 24 -12.025 -0.339 5.294 176 1HG2 THR 24 2HG2 THR 24 -11.510 -3.857 4.390 177 2HG2 THR 24 3HG2 THR 24 -11.333 -2.683 3.063 178 3HG2 THR 24 1HG2 THR 24 -9.889 -3.427 3.792 179 H HIS 25 H HIS 25 -8.373 -1.892 7.115 180 HA HIS 25 HA HIS 25 -7.582 -4.688 6.933 181 1HB HIS 25 1HB HIS 25 -5.890 -2.184 7.159 182 2HB HIS 25 2HB HIS 25 -5.286 -3.813 6.933 183 HD1 HIS 25 HD1 HIS 25 -7.360 -1.179 5.111 184 HD2 HIS 25 HD2 HIS 25 -5.178 -4.670 4.306 185 HE1 HIS 25 HE1 HIS 25 -7.243 -1.380 2.570 186 H LYS 26 H LYS 26 -9.292 -3.804 9.123 187 HA LYS 26 HA LYS 26 -7.728 -3.272 11.408 188 1HB LYS 26 1HB LYS 26 -10.508 -4.471 11.241 189 2HB LYS 26 2HB LYS 26 -9.782 -3.702 12.637 190 1HG LYS 26 1HG LYS 26 -9.593 -1.558 11.362 191 2HG LYS 26 2HG LYS 26 -10.311 -2.326 9.960 192 1HD LYS 26 1HD LYS 26 -12.306 -1.604 10.795 193 2HD LYS 26 2HD LYS 26 -12.170 -2.938 11.923 194 1HE LYS 26 1HE LYS 26 -11.282 -1.541 13.657 195 2HE LYS 26 2HE LYS 26 -10.874 -0.257 12.538 196 1HZ LYS 26 1HZ LYS 26 -13.697 -1.010 12.708 197 2HZ LYS 26 2HZ LYS 26 -13.082 -0.182 13.968 198 H SER 27 H SER 27 -8.818 -6.243 9.740 199 HA SER 27 HA SER 27 -8.012 -7.920 11.864 200 1HB SER 27 1HB SER 27 -8.473 -9.753 10.301 201 2HB SER 27 2HB SER 27 -9.757 -8.564 10.215 202 HG SER 27 HG SER 27 -8.202 -9.479 8.205 203 H VAL 28 H VAL 28 -6.361 -6.144 9.416 204 HA VAL 28 HA VAL 28 -4.172 -8.022 9.189 205 HB VAL 28 HB VAL 28 -4.465 -5.209 8.122 206 1HG1 VAL 28 3HG1 VAL 28 -2.436 -7.366 7.822 207 2HG1 VAL 28 1HG1 VAL 28 -2.882 -6.473 6.348 208 3HG1 VAL 28 2HG1 VAL 28 -2.252 -5.596 7.763 209 1HG2 VAL 28 3HG2 VAL 28 -6.017 -7.447 7.452 210 2HG2 VAL 28 1HG2 VAL 28 -5.853 -5.934 6.529 211 3HG2 VAL 28 2HG2 VAL 28 -4.801 -7.321 6.158 212 H LYS 29 H LYS 29 -2.084 -7.719 10.056 213 HA LYS 29 HA LYS 29 -2.061 -6.289 12.518 214 1HB LYS 29 1HB LYS 29 -0.577 -8.392 11.266 215 2HB LYS 29 2HB LYS 29 0.555 -7.147 11.755 216 1HG LYS 29 1HG LYS 29 -1.060 -7.227 13.977 217 2HG LYS 29 2HG LYS 29 -1.198 -8.889 13.439 218 1HD LYS 29 1HD LYS 29 0.978 -9.385 13.976 219 2HD LYS 29 2HD LYS 29 1.584 -7.858 13.364 220 1HE LYS 29 1HE LYS 29 1.486 -6.850 15.421 221 2HE LYS 29 2HE LYS 29 -0.078 -7.546 15.798 222 1HZ LYS 29 1HZ LYS 29 1.851 -9.605 15.774 223 2HZ LYS 29 2HZ LYS 29 2.406 -8.407 16.728 224 H CYS 30 H CYS 30 -1.015 -4.371 13.061 225 HA CYS 30 HA CYS 30 -0.797 -2.478 11.037 226 1HB CYS 30 1HB CYS 30 0.570 -2.221 13.704 227 2HB CYS 30 2HB CYS 30 -0.122 -0.963 12.699 228 H GLY 31 H GLY 31 1.456 -4.818 12.473 229 1HA GLY 31 1HA GLY 31 3.838 -3.564 11.454 230 2HA GLY 31 2HA GLY 31 3.691 -5.137 12.211 231 H ASP 32 H ASP 32 1.255 -5.135 9.941 232 HA ASP 32 HA ASP 32 2.799 -6.782 8.218 233 1HB ASP 32 1HB ASP 32 0.350 -7.138 8.894 234 2HB ASP 32 2HB ASP 32 -0.065 -5.790 7.856 235 H CYS 33 H CYS 33 1.383 -3.496 8.278 236 HA CYS 33 HA CYS 33 2.265 -3.082 5.524 237 1HB CYS 33 1HB CYS 33 0.112 -1.877 7.205 238 2HB CYS 33 2HB CYS 33 0.907 -0.825 6.051 239 H HIS 34 H HIS 34 2.170 -1.488 8.799 240 HA HIS 34 HA HIS 34 4.249 0.315 8.071 241 1HB HIS 34 1HB HIS 34 2.989 -0.317 10.755 242 2HB HIS 34 2HB HIS 34 4.108 0.998 10.455 243 HD1 HIS 34 HD1 HIS 34 3.240 2.988 8.902 244 HD2 HIS 34 HD2 HIS 34 0.343 0.163 10.009 245 HE1 HIS 34 HE1 HIS 34 0.976 4.051 8.397 246 H HIS 35 H HIS 35 5.461 -1.861 7.321 247 HA HIS 35 HA HIS 35 6.579 -3.614 9.013 248 1HB HIS 35 1HB HIS 35 8.408 -3.819 7.433 249 2HB HIS 35 2HB HIS 35 6.882 -3.630 6.591 250 HD1 HIS 35 HD1 HIS 35 9.860 -1.461 7.654 251 HD2 HIS 35 HD2 HIS 35 6.897 -1.656 4.691 252 HE1 HIS 35 HE1 HIS 35 10.392 0.396 5.988 253 HA PRO 36 HA PRO 36 9.158 -1.412 11.698 254 1HB PRO 36 1HB PRO 36 10.882 -3.372 12.508 255 2HB PRO 36 2HB PRO 36 9.268 -3.184 13.163 256 1HG PRO 36 1HG PRO 36 10.266 -5.199 11.245 257 2HG PRO 36 2HG PRO 36 8.813 -5.240 12.224 258 1HD PRO 36 1HD PRO 36 8.976 -4.665 9.418 259 2HD PRO 36 2HD PRO 36 7.541 -4.593 10.421 260 H VAL 37 H VAL 37 10.305 0.243 10.906 261 HA VAL 37 HA VAL 37 12.401 -0.421 9.035 262 HB VAL 37 HB VAL 37 11.175 2.116 10.092 263 1HG1 VAL 37 3HG1 VAL 37 13.705 1.794 8.468 264 2HG1 VAL 37 1HG1 VAL 37 12.712 3.270 8.392 265 3HG1 VAL 37 2HG1 VAL 37 13.437 2.762 9.937 266 1HG2 VAL 37 3HG2 VAL 37 10.393 0.466 8.069 267 2HG2 VAL 37 1HG2 VAL 37 10.054 2.212 8.132 268 3HG2 VAL 37 2HG2 VAL 37 11.438 1.607 7.189 269 H ASN 38 H ASN 38 14.092 -1.450 10.076 270 HA ASN 38 HA ASN 38 15.875 -1.661 11.291 271 1HB ASN 38 1HB ASN 38 15.506 1.339 11.403 272 2HB ASN 38 2HB ASN 38 16.683 0.629 12.491 273 1HD2 ASN 38 2HD2 ASN 38 19.165 0.294 10.120 274 2HD2 ASN 38 1HD2 ASN 38 18.653 0.385 11.772 275 H GLY 39 H GLY 39 13.434 -2.352 12.520 276 1HA GLY 39 1HA GLY 39 12.753 -3.013 14.578 277 2HA GLY 39 2HA GLY 39 14.104 -2.164 15.303 278 H LYS 40 H LYS 40 12.691 0.062 13.231 279 HA LYS 40 HA LYS 40 11.359 1.342 15.460 280 1HB LYS 40 1HB LYS 40 11.746 2.436 12.668 281 2HB LYS 40 2HB LYS 40 11.436 3.325 14.145 282 1HG LYS 40 1HG LYS 40 13.627 2.769 15.045 283 2HG LYS 40 2HG LYS 40 13.922 1.599 13.774 284 1HD LYS 40 1HD LYS 40 13.741 3.535 12.093 285 2HD LYS 40 2HD LYS 40 13.719 4.628 13.463 286 1HE LYS 40 1HE LYS 40 15.983 3.040 12.340 287 2HE LYS 40 2HE LYS 40 16.003 4.608 13.123 288 1HZ LYS 40 1HZ LYS 40 15.725 3.479 15.268 289 2HZ LYS 40 2HZ LYS 40 15.685 2.019 14.547 290 H GLU 41 H GLU 41 9.273 0.871 15.879 291 HA GLU 41 HA GLU 41 7.612 0.278 13.555 292 1HB GLU 41 1HB GLU 41 8.064 -1.243 15.909 293 2HB GLU 41 2HB GLU 41 6.450 -0.584 16.089 294 1HG GLU 41 1HG GLU 41 6.439 -1.380 13.425 295 2HG GLU 41 2HG GLU 41 7.462 -2.602 14.156 296 H ASP 42 H ASP 42 6.903 2.402 13.108 297 HA ASP 42 HA ASP 42 5.249 3.515 15.230 298 1HB ASP 42 1HB ASP 42 7.603 4.669 14.292 299 2HB ASP 42 2HB ASP 42 6.398 5.455 13.291 300 H TYR 43 H TYR 43 3.660 5.251 14.142 301 HA TYR 43 HA TYR 43 2.668 4.023 11.672 302 1HB TYR 43 1HB TYR 43 1.449 5.949 13.750 303 2HB TYR 43 2HB TYR 43 0.552 5.198 12.445 304 HD1 TYR 43 HD1 TYR 43 2.060 2.439 12.806 305 HD2 TYR 43 HD2 TYR 43 -0.028 5.059 15.467 306 HE1 TYR 43 HE1 TYR 43 1.509 0.473 14.321 307 HE2 TYR 43 HE2 TYR 43 -0.572 3.084 16.973 308 HH TYR 43 HH TYR 43 -0.671 0.846 17.037 309 H ARG 44 H ARG 44 3.966 5.089 10.110 310 HA ARG 44 HA ARG 44 3.434 7.950 10.002 311 1HB ARG 44 1HB ARG 44 5.965 6.568 10.061 312 2HB ARG 44 2HB ARG 44 5.792 7.260 8.461 313 1HG ARG 44 1HG ARG 44 5.492 9.490 9.345 314 2HG ARG 44 2HG ARG 44 5.253 8.892 10.975 315 1HD ARG 44 1HD ARG 44 7.819 7.956 9.921 316 2HD ARG 44 2HD ARG 44 7.709 9.700 9.789 317 HE ARG 44 HE ARG 44 6.808 9.283 12.345 318 1HH1 ARG 44 2HH2 ARG 44 9.683 8.111 10.637 319 2HH1 ARG 44 1HH2 ARG 44 10.645 8.005 12.074 320 HH2 ARG 44 HH1 ARG 44 9.680 8.617 14.180 321 H LYS 45 H LYS 45 3.976 8.719 7.530 322 HA LYS 45 HA LYS 45 2.225 7.096 5.907 323 1HB LYS 45 1HB LYS 45 3.513 9.804 5.454 324 2HB LYS 45 2HB LYS 45 2.426 9.024 4.324 325 1HG LYS 45 1HG LYS 45 0.838 10.218 5.493 326 2HG LYS 45 2HG LYS 45 0.887 8.815 6.542 327 1HD LYS 45 1HD LYS 45 1.607 10.096 8.266 328 2HD LYS 45 2HD LYS 45 3.026 10.566 7.352 329 1HE LYS 45 1HE LYS 45 1.004 12.100 6.172 330 2HE LYS 45 2HE LYS 45 0.533 12.079 7.859 331 1HZ LYS 45 1HZ LYS 45 3.037 13.111 6.696 332 2HZ LYS 45 2HZ LYS 45 2.028 13.847 7.741 333 H CYS 46 H CYS 46 2.811 5.835 4.175 334 HA CYS 46 HA CYS 46 5.402 4.885 4.061 335 1HB CYS 46 1HB CYS 46 3.568 4.756 1.689 336 2HB CYS 46 2HB CYS 46 4.717 3.566 2.268 337 H GLY 47 H GLY 47 3.619 7.287 2.006 338 1HA GLY 47 1HA GLY 47 5.917 7.846 0.371 339 2HA GLY 47 2HA GLY 47 4.366 8.662 0.361 340 H THR 48 H THR 48 6.873 8.137 2.947 341 HA THR 48 HA THR 48 6.670 10.988 3.572 342 HB THR 48 HB THR 48 7.467 8.450 5.015 343 HG1 THR 48 HG1 THR 48 5.792 9.285 6.281 344 1HG2 THR 48 1HG2 THR 48 9.337 10.238 5.324 345 2HG2 THR 48 2HG2 THR 48 8.081 11.242 6.086 346 3HG2 THR 48 3HG2 THR 48 8.523 9.674 6.803 347 H ALA 49 H ALA 49 8.251 12.446 3.211 348 HA ALA 49 HA ALA 49 10.233 11.905 1.372 349 1HB ALA 49 1HB ALA 49 10.034 14.073 3.501 350 2HB ALA 49 2HB ALA 49 11.150 14.108 2.114 351 3HB ALA 49 3HB ALA 49 9.392 14.147 1.842 352 H GLY 50 H GLY 50 11.848 10.433 1.586 353 1HA GLY 50 1HA GLY 50 14.052 10.192 2.586 354 2HA GLY 50 2HA GLY 50 13.312 10.420 4.158 355 H CYS 51 H CYS 51 10.892 8.774 2.824 356 HA CYS 51 HA CYS 51 12.059 6.207 3.585 357 1HB CYS 51 1HB CYS 51 9.191 7.189 3.606 358 2HB CYS 51 2HB CYS 51 9.634 5.512 3.857 359 H HIS 52 H HIS 52 9.045 6.739 1.724 360 HA HIS 52 HA HIS 52 10.340 5.383 -0.525 361 1HB HIS 52 1HB HIS 52 7.462 5.393 0.414 362 2HB HIS 52 2HB HIS 52 7.964 4.752 -1.137 363 HD1 HIS 52 HD1 HIS 52 9.959 2.789 -0.902 364 HD2 HIS 52 HD2 HIS 52 7.500 3.533 2.415 365 HE1 HIS 52 HE1 HIS 52 10.151 0.739 0.605 366 H ASP 53 H ASP 53 11.192 7.655 -0.990 367 HA ASP 53 HA ASP 53 9.158 9.018 -2.564 368 1HB ASP 53 1HB ASP 53 10.048 10.124 -0.293 369 2HB ASP 53 2HB ASP 53 11.429 10.551 -1.283 370 H SER 54 H SER 54 10.182 7.629 -4.311 371 HA SER 54 HA SER 54 12.863 8.541 -4.987 372 1HB SER 54 1HB SER 54 12.600 6.093 -4.717 373 2HB SER 54 2HB SER 54 11.314 6.078 -5.908 374 HG SER 54 HG SER 54 14.125 6.548 -6.294 375 H MET 55 H MET 55 9.467 8.419 -5.974 376 HA MET 55 HA MET 55 8.369 9.207 -7.681 377 1HB MET 55 1HB MET 55 10.550 11.144 -7.127 378 2HB MET 55 2HB MET 55 9.948 11.283 -8.767 379 1HG MET 55 1HG MET 55 8.463 12.707 -7.653 380 2HG MET 55 2HG MET 55 7.556 11.208 -7.599 381 1HE MET 55 1HE MET 55 7.120 9.876 -6.016 382 2HE MET 55 2HE MET 55 8.263 9.502 -4.703 383 3HE MET 55 3HE MET 55 6.806 10.469 -4.367 384 H ASP 56 H ASP 56 10.131 6.978 -8.273 385 HA ASP 56 HA ASP 56 10.510 7.539 -11.098 386 1HB ASP 56 1HB ASP 56 12.441 6.191 -9.174 387 2HB ASP 56 2HB ASP 56 12.502 5.843 -10.890 388 H LYS 57 H LYS 57 8.319 6.434 -11.122 389 HA LYS 57 HA LYS 57 7.671 4.043 -10.064 390 1HB LYS 57 1HB LYS 57 6.037 5.284 -11.242 391 2HB LYS 57 2HB LYS 57 6.971 5.286 -12.725 392 1HG LYS 57 1HG LYS 57 6.489 2.543 -11.806 393 2HG LYS 57 2HG LYS 57 4.979 3.417 -11.970 394 1HD LYS 57 1HD LYS 57 6.955 3.766 -14.200 395 2HD LYS 57 2HD LYS 57 6.225 2.179 -14.058 396 1HE LYS 57 1HE LYS 57 3.940 3.307 -14.010 397 2HE LYS 57 2HE LYS 57 4.739 4.834 -14.330 398 1HZ LYS 57 1HZ LYS 57 5.767 3.389 -16.295 399 2HZ LYS 57 2HZ LYS 57 4.372 2.565 -16.128 400 H LYS 58 H LYS 58 9.613 4.622 -13.053 401 HA LYS 58 HA LYS 58 9.980 1.789 -13.412 402 1HB LYS 58 1HB LYS 58 10.737 4.279 -14.901 403 2HB LYS 58 2HB LYS 58 11.625 2.803 -15.220 404 1HG LYS 58 1HG LYS 58 9.618 1.616 -15.869 405 2HG LYS 58 2HG LYS 58 8.579 2.875 -15.232 406 1HD LYS 58 1HD LYS 58 8.625 3.965 -17.218 407 2HD LYS 58 2HD LYS 58 10.370 4.102 -17.132 408 1HE LYS 58 1HE LYS 58 10.054 2.872 -19.123 409 2HE LYS 58 2HE LYS 58 10.409 1.613 -17.956 410 1HZ LYS 58 1HZ LYS 58 7.897 2.188 -19.290 411 2HZ LYS 58 2HZ LYS 58 8.472 0.762 -18.754 412 H ASP 59 H ASP 59 10.771 1.929 -10.955 413 HA ASP 59 HA ASP 59 13.574 1.548 -11.153 414 1HB ASP 59 1HB ASP 59 13.403 4.026 -10.743 415 2HB ASP 59 2HB ASP 59 12.492 3.707 -9.280 416 H LYS 60 H LYS 60 13.227 -0.569 -10.318 417 HA LYS 60 HA LYS 60 11.641 -0.809 -7.886 418 1HB LYS 60 1HB LYS 60 12.720 -2.843 -9.854 419 2HB LYS 60 2HB LYS 60 11.922 -3.280 -8.357 420 1HG LYS 60 1HG LYS 60 9.965 -3.137 -9.506 421 2HG LYS 60 2HG LYS 60 10.167 -1.398 -9.444 422 1HD LYS 60 1HD LYS 60 11.826 -2.313 -11.587 423 2HD LYS 60 2HD LYS 60 10.306 -3.170 -11.750 424 1HE LYS 60 1HE LYS 60 9.044 -1.168 -11.973 425 2HE LYS 60 2HE LYS 60 10.286 -0.183 -11.226 426 1HZ LYS 60 1HZ LYS 60 9.975 -0.397 -13.878 427 2HZ LYS 60 2HZ LYS 60 11.396 0.000 -13.188 428 H SER 61 H SER 61 12.479 -1.583 -5.920 429 HA SER 61 HA SER 61 14.883 -2.711 -5.510 430 1HB SER 61 1HB SER 61 16.187 -0.933 -6.341 431 2HB SER 61 2HB SER 61 15.099 0.294 -5.723 432 HG SER 61 HG SER 61 17.068 0.165 -4.473 433 H ALA 62 H ALA 62 13.170 0.243 -4.233 434 HA ALA 62 HA ALA 62 11.801 -0.975 -2.218 435 1HB ALA 62 1HB ALA 62 14.646 -0.904 -1.660 436 2HB ALA 62 2HB ALA 62 13.764 0.099 -0.484 437 3HB ALA 62 3HB ALA 62 13.328 -1.613 -0.697 438 H LYS 63 H LYS 63 13.898 1.796 -3.142 439 HA LYS 63 HA LYS 63 12.388 3.674 -1.633 440 1HB LYS 63 1HB LYS 63 13.769 5.334 -2.747 441 2HB LYS 63 2HB LYS 63 14.755 4.009 -2.162 442 1HG LYS 63 1HG LYS 63 14.252 3.052 -4.648 443 2HG LYS 63 2HG LYS 63 14.062 4.760 -4.992 444 1HD LYS 63 1HD LYS 63 16.353 4.550 -5.340 445 2HD LYS 63 2HD LYS 63 16.355 4.979 -3.641 446 1HE LYS 63 1HE LYS 63 16.603 2.651 -2.964 447 2HE LYS 63 2HE LYS 63 16.300 2.081 -4.593 448 1HZ LYS 63 1HZ LYS 63 18.487 3.938 -4.488 449 2HZ LYS 63 2HZ LYS 63 18.763 2.631 -3.557 450 H GLY 64 H GLY 64 11.630 1.821 -4.336 451 1HA GLY 64 1HA GLY 64 10.258 3.822 -5.880 452 2HA GLY 64 2HA GLY 64 10.221 2.084 -6.097 453 H TYR 65 H TYR 65 8.721 4.871 -4.517 454 HA TYR 65 HA TYR 65 7.064 3.671 -2.695 455 1HB TYR 65 1HB TYR 65 7.303 6.119 -3.053 456 2HB TYR 65 2HB TYR 65 6.745 5.975 -4.708 457 HD1 TYR 65 HD1 TYR 65 5.561 5.323 -1.207 458 HD2 TYR 65 HD2 TYR 65 4.525 6.484 -5.192 459 HE1 TYR 65 HE1 TYR 65 3.183 5.813 -0.454 460 HE2 TYR 65 HE2 TYR 65 2.150 6.970 -4.425 461 HH TYR 65 HH TYR 65 0.749 5.845 -2.086 462 H TYR 66 H TYR 66 6.663 3.989 -6.265 463 HA TYR 66 HA TYR 66 4.045 2.815 -6.186 464 1HB TYR 66 1HB TYR 66 4.499 4.367 -7.973 465 2HB TYR 66 2HB TYR 66 6.138 3.782 -8.180 466 HD1 TYR 66 HD1 TYR 66 6.489 1.499 -9.279 467 HD2 TYR 66 HD2 TYR 66 2.731 3.545 -9.319 468 HE1 TYR 66 HE1 TYR 66 5.725 0.072 -11.239 469 HE2 TYR 66 HE2 TYR 66 1.980 2.110 -11.279 470 HH TYR 66 HH TYR 66 2.973 0.845 -13.066 471 H HIS 67 H HIS 67 7.068 1.524 -5.638 472 HA HIS 67 HA HIS 67 6.518 -0.902 -7.155 473 1HB HIS 67 1HB HIS 67 8.702 -0.530 -7.582 474 2HB HIS 67 2HB HIS 67 8.937 0.449 -6.148 475 HD1 HIS 67 HD1 HIS 67 9.402 -2.982 -7.477 476 HD2 HIS 67 HD2 HIS 67 9.488 -1.079 -3.740 477 HE1 HIS 67 HE1 HIS 67 10.552 -4.602 -5.876 478 H VAL 68 H VAL 68 6.364 0.524 -3.968 479 HA VAL 68 HA VAL 68 6.222 -2.109 -2.718 480 HB VAL 68 HB VAL 68 5.998 -0.585 -0.643 481 1HG1 VAL 68 1HG1 VAL 68 8.042 -1.918 -1.592 482 2HG1 VAL 68 2HG1 VAL 68 8.665 -0.304 -2.007 483 3HG1 VAL 68 3HG1 VAL 68 8.292 -0.705 -0.314 484 1HG2 VAL 68 3HG2 VAL 68 5.537 1.469 -2.065 485 2HG2 VAL 68 1HG2 VAL 68 6.781 1.655 -0.805 486 3HG2 VAL 68 2HG2 VAL 68 7.261 1.443 -2.506 487 H MET 69 H MET 69 4.206 -0.459 -4.595 488 HA MET 69 HA MET 69 1.938 -0.913 -2.811 489 1HB MET 69 1HB MET 69 2.152 1.010 -5.195 490 2HB MET 69 2HB MET 69 0.765 0.859 -4.135 491 1HG MET 69 1HG MET 69 3.472 1.493 -2.930 492 2HG MET 69 2HG MET 69 2.571 2.772 -3.719 493 1HE MET 69 3HE MET 69 3.627 1.612 -0.882 494 2HE MET 69 1HE MET 69 2.897 3.103 -0.241 495 3HE MET 69 2HE MET 69 2.374 1.518 0.379 496 H HIS 70 H HIS 70 3.623 -1.939 -5.603 497 HA HIS 70 HA HIS 70 1.283 -3.478 -6.411 498 1HB HIS 70 1HB HIS 70 3.142 -2.270 -8.458 499 2HB HIS 70 2HB HIS 70 1.598 -3.055 -8.719 500 HD1 HIS 70 HD1 HIS 70 3.016 0.141 -7.178 501 HD2 HIS 70 HD2 HIS 70 -0.573 -1.357 -8.749 502 HE1 HIS 70 HE1 HIS 70 1.408 2.119 -7.299 503 H ASP 71 H ASP 71 4.800 -2.998 -7.223 504 HA ASP 71 HA ASP 71 5.488 -5.364 -8.062 505 1HB ASP 71 1HB ASP 71 6.867 -3.235 -7.060 506 2HB ASP 71 2HB ASP 71 7.192 -4.393 -5.786 507 H LYS 72 H LYS 72 5.681 -7.512 -7.273 508 HA LYS 72 HA LYS 72 4.636 -7.942 -4.589 509 1HB LYS 72 1HB LYS 72 4.935 -9.682 -7.037 510 2HB LYS 72 2HB LYS 72 4.616 -10.375 -5.459 511 1HG LYS 72 1HG LYS 72 2.705 -8.482 -5.397 512 2HG LYS 72 2HG LYS 72 2.860 -8.587 -7.139 513 1HD LYS 72 1HD LYS 72 1.132 -10.154 -6.443 514 2HD LYS 72 2HD LYS 72 2.514 -11.082 -6.991 515 1HE LYS 72 1HE LYS 72 2.711 -10.458 -4.122 516 2HE LYS 72 2HE LYS 72 1.224 -11.307 -4.490 517 1HZ LYS 72 1HZ LYS 72 3.855 -12.262 -5.470 518 2HZ LYS 72 2HZ LYS 72 3.223 -12.759 -4.054 519 H ASN 73 H ASN 73 7.495 -8.633 -6.675 520 HA ASN 73 HA ASN 73 8.836 -10.178 -4.832 521 1HB ASN 73 1HB ASN 73 9.421 -8.777 -7.347 522 2HB ASN 73 2HB ASN 73 10.795 -8.678 -6.264 523 1HD2 ASN 73 2HD2 ASN 73 10.872 -11.789 -8.413 524 2HD2 ASN 73 1HD2 ASN 73 10.613 -10.106 -8.729 525 H THR 74 H THR 74 8.478 -9.040 -2.741 526 HA THR 74 HA THR 74 10.491 -6.987 -2.288 527 HB THR 74 HB THR 74 8.779 -5.536 -1.151 528 HG1 THR 74 HG1 THR 74 7.028 -6.853 -0.703 529 1HG2 THR 74 2HG2 THR 74 9.244 -5.435 -3.770 530 2HG2 THR 74 3HG2 THR 74 7.623 -6.160 -3.888 531 3HG2 THR 74 1HG2 THR 74 7.835 -4.578 -3.102 532 H LYS 75 H LYS 75 11.187 -6.829 -0.105 533 HA LYS 75 HA LYS 75 11.118 -9.301 1.229 534 1HB LYS 75 1HB LYS 75 13.047 -7.858 1.358 535 2HB LYS 75 2HB LYS 75 12.103 -6.558 2.057 536 1HG LYS 75 1HG LYS 75 11.888 -9.123 3.543 537 2HG LYS 75 2HG LYS 75 13.512 -8.466 3.504 538 1HD LYS 75 1HD LYS 75 12.852 -6.432 4.568 539 2HD LYS 75 2HD LYS 75 11.158 -6.675 4.194 540 1HE LYS 75 1HE LYS 75 10.814 -7.894 6.088 541 2HE LYS 75 2HE LYS 75 12.204 -8.914 5.775 542 1HZ LYS 75 1HZ LYS 75 12.018 -6.774 7.597 543 2HZ LYS 75 2HZ LYS 75 13.274 -7.786 7.376 544 H PHE 76 H PHE 76 8.995 -6.523 1.207 545 HA PHE 76 HA PHE 76 7.621 -7.634 3.562 546 1HB PHE 76 1HB PHE 76 7.874 -4.805 2.366 547 2HB PHE 76 2HB PHE 76 6.782 -5.177 3.685 548 HD1 PHE 76 HD2 PHE 76 8.023 -6.486 5.726 549 HD2 PHE 76 HD1 PHE 76 9.906 -3.850 2.932 550 HE1 PHE 76 HE2 PHE 76 9.894 -6.048 7.391 551 HE2 PHE 76 HE1 PHE 76 11.771 -3.420 4.606 552 HZ PHE 76 HZ PHE 76 11.684 -4.610 6.851 553 H LYS 77 H LYS 77 5.237 -7.419 3.543 554 HA LYS 77 HA LYS 77 4.195 -8.243 1.055 555 1HB LYS 77 1HB LYS 77 2.889 -7.494 3.684 556 2HB LYS 77 2HB LYS 77 2.001 -8.107 2.303 557 1HG LYS 77 1HG LYS 77 4.223 -9.866 2.629 558 2HG LYS 77 2HG LYS 77 3.613 -9.573 4.245 559 1HD LYS 77 1HD LYS 77 1.278 -9.934 2.712 560 2HD LYS 77 2HD LYS 77 2.398 -11.103 2.040 561 1HE LYS 77 1HE LYS 77 2.859 -11.972 4.354 562 2HE LYS 77 2HE LYS 77 1.705 -10.824 5.004 563 1HZ LYS 77 1HZ LYS 77 0.828 -12.653 2.870 564 2HZ LYS 77 2HZ LYS 77 0.922 -13.215 4.396 565 H SER 78 H SER 78 3.344 -7.099 -0.615 566 HA SER 78 HA SER 78 3.252 -4.231 -0.227 567 1HB SER 78 1HB SER 78 3.993 -4.081 -2.363 568 2HB SER 78 2HB SER 78 4.288 -5.805 -2.270 569 HG SER 78 HG SER 78 2.993 -5.311 -4.119 570 H CYS 79 H CYS 79 1.397 -3.033 -1.376 571 HA CYS 79 HA CYS 79 -1.003 -3.739 -0.341 572 1HB CYS 79 1HB CYS 79 -0.595 -2.211 -2.919 573 2HB CYS 79 2HB CYS 79 -2.015 -2.165 -1.894 574 H VAL 80 H VAL 80 -0.126 -4.028 -3.870 575 HA VAL 80 HA VAL 80 -2.272 -5.738 -4.446 576 HB VAL 80 HB VAL 80 0.335 -5.169 -5.866 577 1HG1 VAL 80 1HG1 VAL 80 -1.920 -6.991 -6.544 578 2HG1 VAL 80 2HG1 VAL 80 -1.296 -5.963 -7.857 579 3HG1 VAL 80 3HG1 VAL 80 -0.200 -7.071 -6.996 580 1HG2 VAL 80 3HG2 VAL 80 -2.263 -3.797 -5.665 581 2HG2 VAL 80 1HG2 VAL 80 -0.670 -3.178 -6.162 582 3HG2 VAL 80 2HG2 VAL 80 -1.695 -4.039 -7.334 583 H GLY 81 H GLY 81 1.103 -6.273 -3.379 584 1HA GLY 81 1HA GLY 81 1.426 -8.946 -3.945 585 2HA GLY 81 2HA GLY 81 2.112 -8.111 -2.566 586 H CYS 82 H CYS 82 0.185 -7.541 -0.820 587 HA CYS 82 HA CYS 82 -0.518 -10.026 0.226 588 1HB CYS 82 1HB CYS 82 -0.140 -7.994 1.589 589 2HB CYS 82 2HB CYS 82 -1.609 -7.286 0.947 590 H HIS 83 H HIS 83 -2.352 -7.458 -1.552 591 HA HIS 83 HA HIS 83 -4.859 -8.542 -1.358 592 1HB HIS 83 1HB HIS 83 -3.485 -6.823 -3.405 593 2HB HIS 83 2HB HIS 83 -5.118 -7.386 -3.698 594 HD1 HIS 83 HD1 HIS 83 -6.083 -4.974 -3.515 595 HD2 HIS 83 HD2 HIS 83 -4.163 -6.328 -0.041 596 HE1 HIS 83 HE1 HIS 83 -6.703 -3.327 -1.668 597 H VAL 84 H VAL 84 -2.205 -9.279 -3.688 598 HA VAL 84 HA VAL 84 -3.651 -10.961 -5.350 599 HB VAL 84 HB VAL 84 -0.738 -10.898 -4.551 600 1HG1 VAL 84 1HG1 VAL 84 -1.509 -13.141 -5.451 601 2HG1 VAL 84 2HG1 VAL 84 -1.889 -12.306 -6.975 602 3HG1 VAL 84 3HG1 VAL 84 -0.214 -12.340 -6.373 603 1HG2 VAL 84 2HG2 VAL 84 -2.316 -9.163 -6.120 604 2HG2 VAL 84 3HG2 VAL 84 -0.542 -9.186 -5.968 605 3HG2 VAL 84 1HG2 VAL 84 -1.336 -10.110 -7.266 606 H GLU 85 H GLU 85 -2.088 -11.516 -2.171 607 HA GLU 85 HA GLU 85 -2.477 -14.314 -2.307 608 1HB GLU 85 1HB GLU 85 -1.368 -12.345 -0.394 609 2HB GLU 85 2HB GLU 85 -2.152 -13.705 0.386 610 1HG GLU 85 1HG GLU 85 -0.562 -14.695 -1.831 611 2HG GLU 85 2HG GLU 85 0.435 -13.635 -0.854 612 H VAL 86 H VAL 86 -4.303 -11.499 -1.096 613 HA VAL 86 HA VAL 86 -6.159 -13.054 0.400 614 HB VAL 86 HB VAL 86 -6.258 -10.218 -0.646 615 1HG1 VAL 86 2HG1 VAL 86 -8.451 -11.500 0.087 616 2HG1 VAL 86 3HG1 VAL 86 -7.838 -11.159 1.723 617 3HG1 VAL 86 1HG1 VAL 86 -8.158 -9.820 0.595 618 1HG2 VAL 86 1HG2 VAL 86 -4.421 -11.089 1.063 619 2HG2 VAL 86 2HG2 VAL 86 -5.209 -9.507 1.268 620 3HG2 VAL 86 3HG2 VAL 86 -5.757 -10.904 2.225 621 H ALA 87 H ALA 87 -6.279 -11.317 -2.789 622 HA ALA 87 HA ALA 87 -8.840 -12.277 -3.435 623 1HB ALA 87 1HB ALA 87 -6.838 -10.546 -4.519 624 2HB ALA 87 2HB ALA 87 -7.277 -11.721 -5.782 625 3HB ALA 87 3HB ALA 87 -8.537 -10.719 -5.022 626 H GLY 88 H GLY 88 -5.513 -13.519 -3.911 627 1HA GLY 88 1HA GLY 88 -4.759 -15.530 -4.570 628 2HA GLY 88 2HA GLY 88 -6.325 -16.184 -4.132 629 H ALA 89 H ALA 89 -7.661 -16.938 -5.741 630 HA ALA 89 HA ALA 89 -6.902 -16.201 -8.484 631 1HB ALA 89 3HB ALA 89 -6.526 -18.601 -7.706 632 2HB ALA 89 1HB ALA 89 -8.295 -18.744 -7.576 633 3HB ALA 89 2HB ALA 89 -7.543 -18.409 -9.154 634 H ASP 90 H ASP 90 -8.841 -15.000 -6.345 635 HA ASP 90 HA ASP 90 -11.351 -15.470 -7.666 636 1HB ASP 90 1HB ASP 90 -11.061 -15.235 -5.130 637 2HB ASP 90 2HB ASP 90 -10.696 -13.541 -5.392 638 H ALA 91 H ALA 91 -10.833 -14.443 -9.758 639 HA ALA 91 HA ALA 91 -9.663 -12.021 -10.161 640 1HB ALA 91 3HB ALA 91 -11.902 -13.476 -11.601 641 2HB ALA 91 1HB ALA 91 -11.199 -11.966 -12.226 642 3HB ALA 91 2HB ALA 91 -10.174 -13.407 -12.023 643 H ALA 92 H ALA 92 -13.156 -12.705 -9.471 644 HA ALA 92 HA ALA 92 -14.194 -10.220 -9.706 645 1HB ALA 92 3HB ALA 92 -14.776 -12.680 -8.212 646 2HB ALA 92 1HB ALA 92 -15.400 -11.221 -7.405 647 3HB ALA 92 2HB ALA 92 -15.879 -11.586 -9.080 648 H LYS 93 H LYS 93 -11.876 -11.399 -7.313 649 HA LYS 93 HA LYS 93 -12.191 -8.908 -5.808 650 1HB LYS 93 1HB LYS 93 -10.958 -11.581 -5.117 651 2HB LYS 93 2HB LYS 93 -10.700 -10.147 -4.145 652 1HG LYS 93 1HG LYS 93 -13.538 -10.413 -4.751 653 2HG LYS 93 2HG LYS 93 -12.941 -11.916 -4.076 654 1HD LYS 93 1HD LYS 93 -12.162 -10.838 -2.071 655 2HD LYS 93 2HD LYS 93 -12.280 -9.241 -2.784 656 1HE LYS 93 1HE LYS 93 -14.247 -9.243 -1.543 657 2HE LYS 93 2HE LYS 93 -14.865 -9.896 -3.047 658 1HZ LYS 93 1HZ LYS 93 -14.100 -11.442 -0.635 659 2HZ LYS 93 2HZ LYS 93 -15.579 -11.339 -1.308 660 H LYS 94 H LYS 94 -9.884 -10.938 -7.669 661 HA LYS 94 HA LYS 94 -7.648 -9.307 -7.196 662 1HB LYS 94 1HB LYS 94 -6.600 -10.927 -8.313 663 2HB LYS 94 2HB LYS 94 -8.145 -11.748 -8.394 664 1HG LYS 94 1HG LYS 94 -8.607 -10.371 -10.538 665 2HG LYS 94 2HG LYS 94 -6.918 -9.907 -10.490 666 1HD LYS 94 1HD LYS 94 -6.909 -12.722 -10.122 667 2HD LYS 94 2HD LYS 94 -8.115 -12.435 -11.361 668 1HE LYS 94 1HE LYS 94 -5.916 -12.729 -12.419 669 2HE LYS 94 2HE LYS 94 -6.460 -11.081 -12.663 670 1HZ LYS 94 1HZ LYS 94 -5.020 -10.346 -10.893 671 2HZ LYS 94 2HZ LYS 94 -4.628 -11.866 -10.461 672 H LYS 95 H LYS 95 -10.561 -8.658 -8.812 673 HA LYS 95 HA LYS 95 -9.258 -6.801 -10.660 674 1HB LYS 95 1HB LYS 95 -11.292 -8.588 -11.085 675 2HB LYS 95 2HB LYS 95 -12.192 -7.120 -10.761 676 1HG LYS 95 1HG LYS 95 -11.193 -5.947 -12.575 677 2HG LYS 95 2HG LYS 95 -9.829 -7.044 -12.661 678 1HD LYS 95 1HD LYS 95 -12.260 -8.572 -13.056 679 2HD LYS 95 2HD LYS 95 -12.303 -7.179 -14.118 680 1HE LYS 95 1HE LYS 95 -10.695 -8.051 -15.473 681 2HE LYS 95 2HE LYS 95 -9.629 -8.370 -14.119 682 1HZ LYS 95 1HZ LYS 95 -10.321 -10.429 -15.232 683 2HZ LYS 95 2HZ LYS 95 -10.861 -10.426 -13.695 684 H ASP 96 H ASP 96 -10.875 -7.040 -7.596 685 HA ASP 96 HA ASP 96 -11.355 -4.167 -7.686 686 1HB ASP 96 1HB ASP 96 -12.851 -6.440 -6.586 687 2HB ASP 96 2HB ASP 96 -12.530 -5.249 -5.341 688 H LEU 97 H LEU 97 -9.082 -6.412 -6.810 689 HA LEU 97 HA LEU 97 -8.327 -4.909 -4.402 690 1HB LEU 97 1HB LEU 97 -8.205 -7.866 -4.948 691 2HB LEU 97 2HB LEU 97 -7.181 -7.105 -3.747 692 HG LEU 97 HG LEU 97 -10.176 -7.415 -3.750 693 1HD1 LEU 97 2HD1 LEU 97 -8.679 -9.171 -2.773 694 2HD1 LEU 97 3HD1 LEU 97 -8.139 -7.966 -1.579 695 3HD1 LEU 97 1HD1 LEU 97 -9.847 -8.466 -1.631 696 1HD2 LEU 97 2HD2 LEU 97 -8.556 -5.350 -2.267 697 2HD2 LEU 97 3HD2 LEU 97 -10.061 -5.148 -3.197 698 3HD2 LEU 97 1HD2 LEU 97 -10.092 -5.978 -1.623 699 H THR 98 H THR 98 -7.142 -6.995 -7.125 700 HA THR 98 HA THR 98 -4.672 -5.391 -7.080 701 HB THR 98 HB THR 98 -3.561 -7.378 -7.902 702 HG1 THR 98 HG1 THR 98 -4.835 -9.009 -8.866 703 1HG2 THR 98 1HG2 THR 98 -5.746 -8.261 -5.944 704 2HG2 THR 98 2HG2 THR 98 -4.301 -9.217 -6.352 705 3HG2 THR 98 3HG2 THR 98 -4.129 -7.664 -5.499 706 H GLY 99 H GLY 99 -7.544 -5.145 -8.442 707 1HA GLY 99 1HA GLY 99 -7.116 -5.335 -11.215 708 2HA GLY 99 2HA GLY 99 -8.334 -4.375 -10.400 709 H CYS 100 H CYS 100 -6.584 -3.745 -12.783 710 HA CYS 100 HA CYS 100 -4.781 -1.743 -11.787 711 1HB CYS 100 1HB CYS 100 -5.478 -2.846 -14.481 712 2HB CYS 100 2HB CYS 100 -4.697 -1.281 -14.381 713 H LYS 101 H LYS 101 -7.995 -2.038 -13.382 714 HA LYS 101 HA LYS 101 -8.493 0.746 -12.651 715 1HB LYS 101 1HB LYS 101 -7.826 0.307 -15.170 716 2HB LYS 101 2HB LYS 101 -9.482 -0.250 -15.303 717 1HG LYS 101 1HG LYS 101 -10.280 1.921 -14.322 718 2HG LYS 101 2HG LYS 101 -8.621 2.477 -14.224 719 1HD LYS 101 1HD LYS 101 -9.455 3.408 -16.259 720 2HD LYS 101 2HD LYS 101 -8.455 2.060 -16.762 721 1HE LYS 101 1HE LYS 101 -10.656 0.647 -16.702 722 2HE LYS 101 2HE LYS 101 -11.492 2.185 -16.632 723 1HZ LYS 101 1HZ LYS 101 -10.893 2.679 -18.774 724 2HZ LYS 101 2HZ LYS 101 -9.454 1.920 -18.706 725 H LYS 102 H LYS 102 -10.727 1.209 -12.205 726 HA LYS 102 HA LYS 102 -12.735 0.748 -11.415 727 1HB LYS 102 1HB LYS 102 -12.698 -0.471 -13.829 728 2HB LYS 102 2HB LYS 102 -13.019 -1.860 -12.811 729 1HG LYS 102 1HG LYS 102 -15.190 -1.219 -12.706 730 2HG LYS 102 2HG LYS 102 -14.691 0.184 -11.781 731 1HD LYS 102 1HD LYS 102 -14.068 1.044 -14.311 732 2HD LYS 102 2HD LYS 102 -15.407 -0.025 -14.679 733 1HE LYS 102 1HE LYS 102 -15.814 1.823 -12.354 734 2HE LYS 102 2HE LYS 102 -15.727 2.586 -13.929 735 1HZ LYS 102 1HZ LYS 102 -17.838 1.926 -14.232 736 2HZ LYS 102 2HZ LYS 102 -17.369 0.367 -14.237 737 H SER 103 H SER 103 -10.412 0.017 -9.907 738 HA SER 103 HA SER 103 -11.387 -2.406 -8.612 739 1HB SER 103 1HB SER 103 -8.871 -1.992 -7.558 740 2HB SER 103 2HB SER 103 -9.230 -3.060 -8.899 741 HG SER 103 HG SER 103 -8.471 -0.272 -9.127 742 H LYS 104 H LYS 104 -10.175 -2.178 -6.111 743 HA LYS 104 HA LYS 104 -11.822 -0.185 -4.908 744 1HB LYS 104 1HB LYS 104 -9.966 -2.335 -3.914 745 2HB LYS 104 2HB LYS 104 -10.557 -1.108 -2.812 746 1HG LYS 104 1HG LYS 104 -12.486 -2.609 -4.617 747 2HG LYS 104 2HG LYS 104 -11.943 -3.323 -3.111 748 1HD LYS 104 1HD LYS 104 -13.194 -1.890 -1.827 749 2HD LYS 104 2HD LYS 104 -12.813 -0.501 -2.825 750 1HE LYS 104 1HE LYS 104 -14.413 -1.546 -4.597 751 2HE LYS 104 2HE LYS 104 -14.950 -2.615 -3.316 752 1HZ LYS 104 1HZ LYS 104 -15.667 0.085 -3.727 753 2HZ LYS 104 2HZ LYS 104 -16.266 -0.951 -2.623 754 H CYS 105 H CYS 105 -8.456 -0.473 -5.946 755 HA CYS 105 HA CYS 105 -7.696 1.840 -4.392 756 1HB CYS 105 1HB CYS 105 -6.004 0.373 -6.430 757 2HB CYS 105 2HB CYS 105 -5.462 1.430 -5.142 758 H HIS 106 H HIS 106 -7.423 0.862 -7.896 759 HA HIS 106 HA HIS 106 -7.697 3.669 -8.592 760 1HB HIS 106 1HB HIS 106 -6.899 1.259 -10.249 761 2HB HIS 106 2HB HIS 106 -6.980 2.904 -10.847 762 HD1 HIS 106 HD1 HIS 106 -5.464 4.612 -9.016 763 HD2 HIS 106 HD2 HIS 106 -4.320 0.629 -9.670 764 HE1 HIS 106 HE1 HIS 106 -3.003 4.458 -8.361 765 H GLU 107 H GLU 107 -9.307 4.433 -10.068 766 HA GLU 107 HA GLU 107 -11.344 2.523 -10.790 767 1HB GLU 107 1HB GLU 107 -11.766 4.876 -8.931 768 2HB GLU 107 2HB GLU 107 -13.076 4.331 -9.958 769 1HG GLU 107 1HG GLU 107 -12.864 2.025 -9.018 770 2HG GLU 107 2HG GLU 107 -11.538 2.556 -8.003 771 HHA HEC 108 HHA HEC 108 -0.934 6.620 7.417 772 HHB HEC 108 HHB HEC 108 -1.796 4.022 13.215 773 HHC HEC 108 HHC HEC 108 -2.603 -1.738 10.529 774 HHD HEC 108 HHD HEC 108 -1.191 0.792 4.759 775 1HMA HEC 108 1HMA HEC 108 -1.967 7.600 12.592 776 2HMA HEC 108 2HMA HEC 108 -1.856 6.029 13.421 777 3HMA HEC 108 3HMA HEC 108 -0.374 6.913 12.988 778 1HAA HEC 108 1HAA HEC 108 -0.357 8.016 8.842 779 2HAA HEC 108 2HAA HEC 108 -1.834 8.492 9.713 780 1HBA HEC 108 1HBA HEC 108 0.476 7.972 11.455 781 2HBA HEC 108 2HBA HEC 108 0.692 9.322 10.316 782 1HMB HEC 108 1HMB HEC 108 -2.760 0.891 15.100 783 2HMB HEC 108 2HMB HEC 108 -1.913 2.429 14.805 784 3HMB HEC 108 3HMB HEC 108 -3.676 2.325 14.578 785 HAB HEC 108 HAB HEC 108 -3.329 -1.846 12.384 786 1HBB HEC 108 1HBB HEC 108 -4.139 -0.567 14.970 787 2HBB HEC 108 2HBB HEC 108 -5.083 -0.262 13.492 788 3HBB HEC 108 3HBB HEC 108 -4.873 -1.926 14.087 789 1HMC HEC 108 1HMC HEC 108 -3.093 -3.122 9.070 790 2HMC HEC 108 2HMC HEC 108 -3.370 -3.436 7.340 791 3HMC HEC 108 3HMC HEC 108 -1.753 -3.683 8.042 792 HAC HEC 108 HAC HEC 108 -2.018 -1.098 4.433 793 1HBC HEC 108 1HBC HEC 108 -3.818 -2.664 5.558 794 2HBC HEC 108 2HBC HEC 108 -3.092 -3.062 3.982 795 3HBC HEC 108 3HBC HEC 108 -2.504 -3.860 5.460 796 1HMD HEC 108 1HMD HEC 108 -1.423 2.949 2.968 797 2HMD HEC 108 2HMD HEC 108 0.090 3.887 3.002 798 3HMD HEC 108 3HMD HEC 108 0.098 2.167 3.463 799 1HAD HEC 108 1HAD HEC 108 -0.639 6.828 5.427 800 2HAD HEC 108 2HAD HEC 108 0.802 6.050 4.728 801 1HBD HEC 108 1HBD HEC 108 -1.440 5.289 3.151 802 2HBD HEC 108 2HBD HEC 108 -1.517 7.049 3.410 803 HHA HEC 109 HHA HEC 109 11.683 -2.201 1.746 804 HHB HEC 109 HHB HEC 109 5.317 -1.540 1.359 805 HHC HEC 109 HHC HEC 109 5.577 3.395 5.439 806 HHD HEC 109 HHD HEC 109 12.054 3.327 4.970 807 1HMA HEC 109 1HMA HEC 109 6.885 -3.410 -0.832 808 2HMA HEC 109 2HMA HEC 109 7.024 -4.600 0.484 809 3HMA HEC 109 3HMA HEC 109 5.791 -3.318 0.569 810 1HAA HEC 109 1HAA HEC 109 10.958 -3.852 0.853 811 2HAA HEC 109 2HAA HEC 109 9.506 -4.799 0.447 812 1HBA HEC 109 1HBA HEC 109 9.300 -3.522 -1.659 813 2HBA HEC 109 2HBA HEC 109 10.806 -2.663 -1.258 814 1HMB HEC 109 1HMB HEC 109 3.419 -0.881 1.660 815 2HMB HEC 109 2HMB HEC 109 2.842 -1.090 3.331 816 3HMB HEC 109 3HMB HEC 109 2.381 0.358 2.405 817 HAB HEC 109 HAB HEC 109 3.683 2.794 5.358 818 1HBB HEC 109 1HBB HEC 109 1.798 1.741 6.057 819 2HBB HEC 109 2HBB HEC 109 1.499 0.973 4.479 820 3HBB HEC 109 3HBB HEC 109 2.744 0.315 5.567 821 1HMC HEC 109 1HMC HEC 109 6.462 5.395 6.022 822 2HMC HEC 109 2HMC HEC 109 7.157 4.885 7.579 823 3HMC HEC 109 3HMC HEC 109 7.925 6.192 6.647 824 HAC HEC 109 HAC HEC 109 11.585 4.894 6.040 825 1HBC HEC 109 1HBC HEC 109 10.415 4.348 8.275 826 2HBC HEC 109 2HBC HEC 109 11.459 5.786 8.179 827 3HBC HEC 109 3HBC HEC 109 9.689 5.965 8.114 828 1HMD HEC 109 1HMD HEC 109 13.910 2.939 4.185 829 2HMD HEC 109 2HMD HEC 109 14.562 1.462 4.934 830 3HMD HEC 109 3HMD HEC 109 14.913 1.823 3.227 831 1HAD HEC 109 1HAD HEC 109 13.647 -1.843 2.167 832 2HAD HEC 109 2HAD HEC 109 14.310 -0.388 1.385 833 1HBD HEC 109 1HBD HEC 109 14.957 -0.496 4.223 834 2HBD HEC 109 2HBD HEC 109 15.531 -1.928 3.336 835 HHA HEC 110 HHA HEC 110 -10.197 -4.766 1.016 836 HHB HEC 110 HHB HEC 110 -6.407 0.057 -0.852 837 HHC HEC 110 HHC HEC 110 -1.421 -2.781 2.002 838 HHD HEC 110 HHD HEC 110 -5.076 -7.938 3.211 839 1HMA HEC 110 1HMA HEC 110 -8.618 0.738 -0.789 840 2HMA HEC 110 2HMA HEC 110 -8.807 -0.197 -2.293 841 3HMA HEC 110 3HMA HEC 110 -10.191 0.010 -1.192 842 1HAA HEC 110 1HAA HEC 110 -11.243 -2.286 -1.371 843 2HAA HEC 110 2HAA HEC 110 -11.286 -3.572 -0.140 844 1HBA HEC 110 1HBA HEC 110 -11.241 -1.335 1.421 845 2HBA HEC 110 2HBA HEC 110 -12.159 -0.769 0.005 846 1HMB HEC 110 1HMB HEC 110 -4.673 1.571 -0.511 847 2HMB HEC 110 2HMB HEC 110 -2.905 1.499 -0.697 848 3HMB HEC 110 3HMB HEC 110 -3.959 0.771 -1.932 849 HAB HEC 110 HAB HEC 110 -0.757 -1.099 1.173 850 1HBB HEC 110 1HBB HEC 110 -0.862 1.569 0.041 851 2HBB HEC 110 2HBB HEC 110 -2.092 1.340 1.307 852 3HBB HEC 110 3HBB HEC 110 -0.376 1.030 1.666 853 1HMC HEC 110 1HMC HEC 110 -0.262 -5.423 3.897 854 2HMC HEC 110 2HMC HEC 110 0.003 -6.041 2.249 855 3HMC HEC 110 3HMC HEC 110 -0.191 -4.293 2.523 856 HAC HEC 110 HAC HEC 110 -3.152 -8.090 4.307 857 1HBC HEC 110 1HBC HEC 110 -1.137 -6.884 5.138 858 2HBC HEC 110 2HBC HEC 110 -0.904 -8.635 4.923 859 3HBC HEC 110 3HBC HEC 110 -0.243 -7.496 3.725 860 1HMD HEC 110 1HMD HEC 110 -8.690 -9.037 3.705 861 2HMD HEC 110 2HMD HEC 110 -7.229 -9.485 2.792 862 3HMD HEC 110 3HMD HEC 110 -7.079 -8.648 4.355 863 1HAD HEC 110 1HAD HEC 110 -10.293 -8.198 2.682 864 2HAD HEC 110 2HAD HEC 110 -10.771 -6.514 3.002 865 1HBD HEC 110 1HBD HEC 110 -10.281 -6.680 0.230 866 2HBD HEC 110 2HBD HEC 110 -11.217 -8.128 0.671 867 HHA HEC 111 HHA HEC 111 0.459 5.470 -7.662 868 HHB HEC 111 HHB HEC 111 -0.534 1.945 -12.924 869 HHC HEC 111 HHC HEC 111 -3.224 -2.651 -9.357 870 HHD HEC 111 HHD HEC 111 -2.945 1.272 -4.218 871 1HMA HEC 111 1HMA HEC 111 0.714 5.338 -13.025 872 2HMA HEC 111 2HMA HEC 111 1.953 4.069 -12.874 873 3HMA HEC 111 3HMA HEC 111 0.333 3.663 -13.491 874 1HAA HEC 111 1HAA HEC 111 0.764 6.837 -10.710 875 2HAA HEC 111 2HAA HEC 111 1.407 6.351 -9.123 876 1HBA HEC 111 1HBA HEC 111 3.462 6.080 -9.934 877 2HBA HEC 111 2HBA HEC 111 2.882 5.161 -11.344 878 1HMB HEC 111 1HMB HEC 111 -1.809 -0.130 -14.368 879 2HMB HEC 111 2HMB HEC 111 -0.102 -0.119 -13.865 880 3HMB HEC 111 3HMB HEC 111 -0.969 -1.664 -14.037 881 HAB HEC 111 HAB HEC 111 -3.415 -3.158 -11.468 882 1HBB HEC 111 1HBB HEC 111 -1.226 -4.494 -12.601 883 2HBB HEC 111 2HBB HEC 111 -0.553 -3.478 -11.303 884 3HBB HEC 111 3HBB HEC 111 -1.854 -4.638 -10.942 885 1HMC HEC 111 1HMC HEC 111 -5.673 -2.790 -6.716 886 2HMC HEC 111 2HMC HEC 111 -4.499 -3.361 -7.926 887 3HMC HEC 111 3HMC HEC 111 -4.223 -3.684 -6.198 888 HAC HEC 111 HAC HEC 111 -3.887 -0.393 -3.646 889 1HBC HEC 111 1HBC HEC 111 -5.068 -3.086 -4.141 890 2HBC HEC 111 2HBC HEC 111 -3.296 -2.920 -4.176 891 3HBC HEC 111 3HBC HEC 111 -4.205 -2.448 -2.720 892 1HMD HEC 111 1HMD HEC 111 -1.520 4.446 -2.854 893 2HMD HEC 111 2HMD HEC 111 -2.581 3.027 -3.030 894 3HMD HEC 111 3HMD HEC 111 -0.842 2.805 -2.723 895 1HAD HEC 111 1HAD HEC 111 0.608 5.315 -4.018 896 2HAD HEC 111 2HAD HEC 111 0.806 5.861 -5.701 897 1HBD HEC 111 1HBD HEC 111 -1.593 6.779 -5.461 898 2HBD HEC 111 2HBD HEC 111 -1.332 6.578 -3.712 No H/Q in entry = 898 Start of MODEL 10 1 1H ALA 1 1H ALA 1 -2.363 5.304 23.722 2 2H ALA 1 2H ALA 1 -3.681 4.682 22.936 3 HA ALA 1 HA ALA 1 -0.971 4.999 22.073 4 1HB ALA 1 1HB ALA 1 -2.266 2.451 22.043 5 2HB ALA 1 2HB ALA 1 -2.236 3.057 20.370 6 3HB ALA 1 3HB ALA 1 -0.720 2.910 21.291 7 HA PRO 2 HA PRO 2 -3.061 7.434 19.174 8 1HB PRO 2 1HB PRO 2 -1.503 7.276 16.935 9 2HB PRO 2 2HB PRO 2 -1.104 8.285 18.310 10 1HG PRO 2 1HG PRO 2 0.097 5.712 17.490 11 2HG PRO 2 2HG PRO 2 0.739 6.925 18.579 12 1HD PRO 2 1HD PRO 2 -0.464 4.426 19.311 13 2HD PRO 2 2HD PRO 2 0.073 5.690 20.400 14 H LYS 3 H LYS 3 -3.107 4.188 18.920 15 HA LYS 3 HA LYS 3 -4.120 2.741 17.546 16 1HB LYS 3 1HB LYS 3 -6.480 2.999 17.550 17 2HB LYS 3 2HB LYS 3 -5.889 3.737 19.025 18 1HG LYS 3 1HG LYS 3 -6.050 5.588 16.691 19 2HG LYS 3 2HG LYS 3 -7.595 4.967 17.236 20 1HD LYS 3 1HD LYS 3 -6.767 5.618 19.644 21 2HD LYS 3 2HD LYS 3 -5.559 6.579 18.814 22 1HE LYS 3 1HE LYS 3 -7.482 7.666 17.497 23 2HE LYS 3 2HE LYS 3 -8.590 6.846 18.579 24 1HZ LYS 3 1HZ LYS 3 -7.477 7.981 20.452 25 2HZ LYS 3 2HZ LYS 3 -6.490 8.770 19.425 26 H ALA 4 H ALA 4 -6.183 3.257 15.526 27 HA ALA 4 HA ALA 4 -4.374 4.005 13.387 28 1HB ALA 4 2HB ALA 4 -7.134 2.735 13.502 29 2HB ALA 4 3HB ALA 4 -6.303 3.141 11.981 30 3HB ALA 4 1HB ALA 4 -5.589 1.951 13.094 31 HA PRO 5 HA PRO 5 -6.172 7.892 12.787 32 1HB PRO 5 1HB PRO 5 -5.689 8.329 10.133 33 2HB PRO 5 2HB PRO 5 -4.474 8.548 11.376 34 1HG PRO 5 1HG PRO 5 -4.745 6.352 9.415 35 2HG PRO 5 2HG PRO 5 -3.343 6.814 10.360 36 1HD PRO 5 1HD PRO 5 -5.088 4.591 10.851 37 2HD PRO 5 2HD PRO 5 -3.757 5.122 11.860 38 H ALA 6 H ALA 6 -7.672 9.246 11.236 39 HA ALA 6 HA ALA 6 -10.135 7.910 11.364 40 1HB ALA 6 3HB ALA 6 -9.638 10.417 11.450 41 2HB ALA 6 1HB ALA 6 -9.462 10.347 9.680 42 3HB ALA 6 2HB ALA 6 -11.018 9.929 10.438 43 H ASP 7 H ASP 7 -11.570 8.136 9.126 44 HA ASP 7 HA ASP 7 -10.208 6.280 7.385 45 1HB ASP 7 1HB ASP 7 -12.463 5.871 6.445 46 2HB ASP 7 2HB ASP 7 -12.468 5.692 8.189 47 H GLY 8 H GLY 8 -10.861 6.602 4.900 48 1HA GLY 8 1HA GLY 8 -11.077 7.919 3.058 49 2HA GLY 8 2HA GLY 8 -11.373 9.315 4.075 50 H LEU 9 H LEU 9 -8.558 7.234 4.680 51 HA LEU 9 HA LEU 9 -6.820 9.464 4.308 52 1HB LEU 9 1HB LEU 9 -6.313 8.047 6.093 53 2HB LEU 9 2HB LEU 9 -6.490 6.595 5.128 54 HG LEU 9 HG LEU 9 -4.118 7.626 5.847 55 1HD1 LEU 9 1HD1 LEU 9 -4.782 5.461 4.597 56 2HD1 LEU 9 2HD1 LEU 9 -4.346 6.363 3.126 57 3HD1 LEU 9 3HD1 LEU 9 -3.132 6.099 4.400 58 1HD2 LEU 9 2HD2 LEU 9 -4.812 9.658 4.307 59 2HD2 LEU 9 3HD2 LEU 9 -3.132 9.074 4.378 60 3HD2 LEU 9 1HD2 LEU 9 -4.183 8.599 3.022 61 H LYS 10 H LYS 10 -6.665 10.174 2.206 62 HA LYS 10 HA LYS 10 -6.055 8.127 0.199 63 1HB LYS 10 1HB LYS 10 -7.991 9.334 -0.432 64 2HB LYS 10 2HB LYS 10 -7.292 10.876 0.020 65 1HG LYS 10 1HG LYS 10 -5.493 10.439 -1.786 66 2HG LYS 10 2HG LYS 10 -6.491 9.104 -2.328 67 1HD LYS 10 1HD LYS 10 -7.317 10.805 -3.690 68 2HD LYS 10 2HD LYS 10 -8.429 10.928 -2.341 69 1HE LYS 10 1HE LYS 10 -6.201 12.527 -1.599 70 2HE LYS 10 2HE LYS 10 -6.464 12.879 -3.295 71 1HZ LYS 10 1HZ LYS 10 -8.605 13.658 -2.861 72 2HZ LYS 10 2HZ LYS 10 -8.774 12.838 -1.464 73 H MET 11 H MET 11 -4.221 8.356 -1.163 74 HA MET 11 HA MET 11 -2.340 10.370 -0.201 75 1HB MET 11 1HB MET 11 -0.541 8.639 -0.661 76 2HB MET 11 2HB MET 11 -1.650 8.140 0.601 77 1HG MET 11 1HG MET 11 -2.801 7.260 -1.872 78 2HG MET 11 2HG MET 11 -1.099 6.850 -1.948 79 1HE MET 11 1HE MET 11 -0.347 4.835 -1.368 80 2HE MET 11 2HE MET 11 0.128 5.381 0.258 81 3HE MET 11 3HE MET 11 -0.743 3.842 0.054 82 H GLU 12 H GLU 12 -2.299 11.880 -1.835 83 HA GLU 12 HA GLU 12 -2.279 10.846 -4.550 84 1HB GLU 12 1HB GLU 12 -3.984 12.603 -3.826 85 2HB GLU 12 2HB GLU 12 -2.655 13.731 -3.642 86 1HG GLU 12 1HG GLU 12 -2.897 12.225 -6.249 87 2HG GLU 12 2HG GLU 12 -4.015 13.540 -5.947 88 H ALA 13 H ALA 13 0.054 10.146 -3.895 89 HA ALA 13 HA ALA 13 1.916 12.384 -3.947 90 1HB ALA 13 3HB ALA 13 1.860 9.660 -2.901 91 2HB ALA 13 1HB ALA 13 3.320 9.950 -3.877 92 3HB ALA 13 2HB ALA 13 2.949 11.008 -2.495 93 H THR 14 H THR 14 0.278 10.248 -6.081 94 HA THR 14 HA THR 14 2.214 10.916 -8.186 95 HB THR 14 HB THR 14 1.870 8.596 -9.083 96 HG1 THR 14 HG1 THR 14 -0.273 8.651 -7.700 97 1HG2 THR 14 3HG2 THR 14 3.193 9.208 -6.535 98 2HG2 THR 14 1HG2 THR 14 2.557 7.545 -6.537 99 3HG2 THR 14 2HG2 THR 14 3.693 8.066 -7.805 100 H LYS 15 H LYS 15 1.078 10.273 -10.430 101 HA LYS 15 HA LYS 15 -1.069 12.068 -10.628 102 1HB LYS 15 1HB LYS 15 0.626 11.510 -12.404 103 2HB LYS 15 2HB LYS 15 -0.192 9.979 -12.642 104 1HG LYS 15 1HG LYS 15 -2.365 11.477 -12.895 105 2HG LYS 15 2HG LYS 15 -1.227 12.777 -13.184 106 1HD LYS 15 1HD LYS 15 -0.414 11.819 -15.175 107 2HD LYS 15 2HD LYS 15 -0.855 10.191 -14.701 108 1HE LYS 15 1HE LYS 15 -3.005 10.395 -15.499 109 2HE LYS 15 2HE LYS 15 -3.170 12.046 -14.937 110 1HZ LYS 15 1HZ LYS 15 -2.519 12.824 -16.942 111 2HZ LYS 15 2HZ LYS 15 -1.269 11.790 -17.082 112 H GLN 16 H GLN 16 -0.892 8.810 -9.540 113 HA GLN 16 HA GLN 16 -3.760 8.555 -10.015 114 1HB GLN 16 1HB GLN 16 -1.788 6.266 -9.619 115 2HB GLN 16 2HB GLN 16 -3.479 6.128 -10.056 116 1HG GLN 16 1HG GLN 16 -1.840 7.867 -11.852 117 2HG GLN 16 2HG GLN 16 -1.418 6.167 -11.875 118 1HE2 GLN 16 2HE2 GLN 16 -4.692 5.056 -12.968 119 2HE2 GLN 16 1HE2 GLN 16 -3.470 4.696 -11.795 120 HA PRO 17 HA PRO 17 -3.468 8.850 -5.588 121 1HB PRO 17 1HB PRO 17 -5.959 9.898 -5.182 122 2HB PRO 17 2HB PRO 17 -4.539 10.885 -5.463 123 1HG PRO 17 1HG PRO 17 -6.755 10.258 -7.316 124 2HG PRO 17 2HG PRO 17 -5.575 11.549 -7.414 125 1HD PRO 17 1HD PRO 17 -5.592 9.119 -8.939 126 2HD PRO 17 2HD PRO 17 -4.351 10.357 -8.952 127 H VAL 18 H VAL 18 -4.445 7.814 -3.730 128 HA VAL 18 HA VAL 18 -6.405 5.804 -4.511 129 HB VAL 18 HB VAL 18 -3.695 5.244 -3.303 130 1HG1 VAL 18 3HG1 VAL 18 -5.471 4.039 -2.059 131 2HG1 VAL 18 1HG1 VAL 18 -6.027 3.319 -3.589 132 3HG1 VAL 18 2HG1 VAL 18 -4.402 2.941 -2.967 133 1HG2 VAL 18 1HG2 VAL 18 -5.028 4.666 -5.919 134 2HG2 VAL 18 2HG2 VAL 18 -3.340 5.108 -5.565 135 3HG2 VAL 18 3HG2 VAL 18 -3.909 3.451 -5.254 136 H VAL 19 H VAL 19 -7.731 5.108 -2.763 137 HA VAL 19 HA VAL 19 -7.386 6.758 -0.356 138 HB VAL 19 HB VAL 19 -9.840 5.780 -1.813 139 1HG1 VAL 19 2HG1 VAL 19 -10.087 5.406 0.639 140 2HG1 VAL 19 3HG1 VAL 19 -9.774 7.138 0.902 141 3HG1 VAL 19 1HG1 VAL 19 -11.215 6.622 -0.007 142 1HG2 VAL 19 1HG2 VAL 19 -8.373 8.146 -1.989 143 2HG2 VAL 19 2HG2 VAL 19 -10.032 7.875 -2.575 144 3HG2 VAL 19 3HG2 VAL 19 -9.760 8.567 -0.957 145 H PHE 20 H PHE 20 -6.678 5.613 1.362 146 HA PHE 20 HA PHE 20 -7.292 2.744 1.401 147 1HB PHE 20 1HB PHE 20 -4.889 3.612 1.458 148 2HB PHE 20 2HB PHE 20 -5.280 4.550 2.886 149 HD1 PHE 20 HD1 PHE 20 -4.924 1.083 1.592 150 HD2 PHE 20 HD2 PHE 20 -5.238 3.569 5.059 151 HE1 PHE 20 HE1 PHE 20 -4.277 -0.883 3.069 152 HE2 PHE 20 HE2 PHE 20 -4.590 1.595 6.525 153 HZ PHE 20 HZ PHE 20 -4.155 -0.522 5.582 154 H ASN 21 H ASN 21 -7.670 1.778 3.614 155 HA ASN 21 HA ASN 21 -8.861 3.694 5.430 156 1HB ASN 21 1HB ASN 21 -10.228 1.215 4.273 157 2HB ASN 21 2HB ASN 21 -10.789 1.983 5.745 158 1HD2 ASN 21 1HD2 ASN 21 -10.186 2.423 2.310 159 2HD2 ASN 21 2HD2 ASN 21 -11.284 3.734 2.039 160 H HIS 22 H HIS 22 -8.811 2.921 7.666 161 HA HIS 22 HA HIS 22 -7.023 0.649 8.007 162 1HB HIS 22 1HB HIS 22 -7.700 3.078 9.631 163 2HB HIS 22 2HB HIS 22 -7.098 1.651 10.452 164 HD1 HIS 22 HD1 HIS 22 -6.046 4.405 8.126 165 HD2 HIS 22 HD2 HIS 22 -4.381 0.993 9.912 166 HE1 HIS 22 HE1 HIS 22 -3.523 4.580 7.788 167 H SER 23 H SER 23 -10.343 1.714 8.426 168 HA SER 23 HA SER 23 -10.982 -0.161 10.428 169 1HB SER 23 1HB SER 23 -12.705 1.407 8.462 170 2HB SER 23 2HB SER 23 -13.372 0.400 9.731 171 HG SER 23 HG SER 23 -11.528 2.586 10.197 172 H THR 24 H THR 24 -10.025 -0.573 7.244 173 HA THR 24 HA THR 24 -11.799 -2.879 6.816 174 HB THR 24 HB THR 24 -10.042 -1.214 4.937 175 HG1 THR 24 HG1 THR 24 -12.909 -1.696 5.355 176 1HG2 THR 24 3HG2 THR 24 -11.291 -3.873 4.622 177 2HG2 THR 24 1HG2 THR 24 -11.939 -2.684 3.467 178 3HG2 THR 24 2HG2 THR 24 -10.190 -3.012 3.520 179 H HIS 25 H HIS 25 -8.434 -1.844 7.314 180 HA HIS 25 HA HIS 25 -7.616 -4.626 6.983 181 1HB HIS 25 1HB HIS 25 -5.967 -2.089 7.173 182 2HB HIS 25 2HB HIS 25 -5.314 -3.704 6.980 183 HD1 HIS 25 HD1 HIS 25 -7.521 -1.205 5.117 184 HD2 HIS 25 HD2 HIS 25 -5.169 -4.598 4.373 185 HE1 HIS 25 HE1 HIS 25 -7.412 -1.457 2.580 186 H LYS 26 H LYS 26 -9.264 -3.867 9.235 187 HA LYS 26 HA LYS 26 -7.647 -3.344 11.490 188 1HB LYS 26 1HB LYS 26 -10.402 -4.604 11.373 189 2HB LYS 26 2HB LYS 26 -9.653 -3.851 12.766 190 1HG LYS 26 1HG LYS 26 -9.558 -1.672 11.550 191 2HG LYS 26 2HG LYS 26 -10.280 -2.420 10.139 192 1HD LYS 26 1HD LYS 26 -12.242 -1.668 11.068 193 2HD LYS 26 2HD LYS 26 -12.133 -3.145 12.004 194 1HE LYS 26 1HE LYS 26 -10.663 -1.659 13.654 195 2HE LYS 26 2HE LYS 26 -11.450 -0.317 12.848 196 1HZ LYS 26 1HZ LYS 26 -13.104 -0.719 14.316 197 2HZ LYS 26 2HZ LYS 26 -13.522 -1.987 13.384 198 H SER 27 H SER 27 -8.919 -6.338 9.933 199 HA SER 27 HA SER 27 -7.964 -8.031 11.934 200 1HB SER 27 1HB SER 27 -8.522 -9.824 10.431 201 2HB SER 27 2HB SER 27 -9.723 -8.571 10.185 202 HG SER 27 HG SER 27 -7.362 -8.924 8.541 203 H VAL 28 H VAL 28 -6.359 -6.157 9.541 204 HA VAL 28 HA VAL 28 -4.149 -8.004 9.234 205 HB VAL 28 HB VAL 28 -4.485 -5.172 8.234 206 1HG1 VAL 28 1HG1 VAL 28 -2.564 -7.414 7.591 207 2HG1 VAL 28 2HG1 VAL 28 -2.880 -6.091 6.443 208 3HG1 VAL 28 3HG1 VAL 28 -2.208 -5.732 8.052 209 1HG2 VAL 28 2HG2 VAL 28 -5.727 -7.692 7.359 210 2HG2 VAL 28 3HG2 VAL 28 -6.167 -6.006 6.994 211 3HG2 VAL 28 1HG2 VAL 28 -4.883 -6.813 6.061 212 H LYS 29 H LYS 29 -2.067 -7.704 10.104 213 HA LYS 29 HA LYS 29 -2.045 -6.279 12.576 214 1HB LYS 29 1HB LYS 29 -0.573 -8.401 11.328 215 2HB LYS 29 2HB LYS 29 0.562 -7.174 11.852 216 1HG LYS 29 1HG LYS 29 0.085 -7.482 14.095 217 2HG LYS 29 2HG LYS 29 -1.612 -7.809 13.804 218 1HD LYS 29 1HD LYS 29 -1.134 -10.088 13.080 219 2HD LYS 29 2HD LYS 29 0.591 -9.781 13.051 220 1HE LYS 29 1HE LYS 29 0.025 -11.014 15.097 221 2HE LYS 29 2HE LYS 29 0.566 -9.404 15.528 222 1HZ LYS 29 1HZ LYS 29 -2.200 -10.436 15.536 223 2HZ LYS 29 2HZ LYS 29 -1.401 -9.689 16.743 224 H CYS 30 H CYS 30 -0.899 -4.403 13.129 225 HA CYS 30 HA CYS 30 -0.680 -2.503 11.106 226 1HB CYS 30 1HB CYS 30 0.747 -2.272 13.742 227 2HB CYS 30 2HB CYS 30 0.032 -1.008 12.762 228 H GLY 31 H GLY 31 1.580 -4.835 12.587 229 1HA GLY 31 1HA GLY 31 3.955 -3.653 11.499 230 2HA GLY 31 2HA GLY 31 3.790 -5.219 12.268 231 H ASP 32 H ASP 32 1.326 -5.193 10.031 232 HA ASP 32 HA ASP 32 2.839 -6.855 8.287 233 1HB ASP 32 1HB ASP 32 0.422 -7.249 9.015 234 2HB ASP 32 2HB ASP 32 -0.045 -5.886 8.018 235 H CYS 33 H CYS 33 1.451 -3.567 8.391 236 HA CYS 33 HA CYS 33 2.242 -3.162 5.606 237 1HB CYS 33 1HB CYS 33 0.107 -1.997 7.325 238 2HB CYS 33 2HB CYS 33 0.889 -0.900 6.205 239 H HIS 34 H HIS 34 2.216 -1.547 8.873 240 HA HIS 34 HA HIS 34 4.285 0.245 8.083 241 1HB HIS 34 1HB HIS 34 3.068 -0.339 10.798 242 2HB HIS 34 2HB HIS 34 4.178 0.972 10.454 243 HD1 HIS 34 HD1 HIS 34 3.277 2.903 8.818 244 HD2 HIS 34 HD2 HIS 34 0.407 0.148 10.150 245 HE1 HIS 34 HE1 HIS 34 1.002 3.959 8.350 246 H HIS 35 H HIS 35 5.491 -1.932 7.348 247 HA HIS 35 HA HIS 35 6.626 -3.658 9.071 248 1HB HIS 35 1HB HIS 35 8.397 -3.942 7.452 249 2HB HIS 35 2HB HIS 35 6.863 -3.729 6.633 250 HD1 HIS 35 HD1 HIS 35 9.959 -1.675 7.555 251 HD2 HIS 35 HD2 HIS 35 6.853 -1.740 4.737 252 HE1 HIS 35 HE1 HIS 35 10.498 0.149 5.854 253 HA PRO 36 HA PRO 36 9.288 -1.394 11.620 254 1HB PRO 36 1HB PRO 36 11.031 -3.335 12.433 255 2HB PRO 36 2HB PRO 36 9.436 -3.127 13.128 256 1HG PRO 36 1HG PRO 36 10.379 -5.194 11.236 257 2HG PRO 36 2HG PRO 36 8.954 -5.207 12.256 258 1HD PRO 36 1HD PRO 36 9.039 -4.706 9.434 259 2HD PRO 36 2HD PRO 36 7.632 -4.606 10.474 260 H VAL 37 H VAL 37 10.779 0.132 11.293 261 HA VAL 37 HA VAL 37 12.874 -0.657 9.387 262 HB VAL 37 HB VAL 37 11.535 2.027 9.778 263 1HG1 VAL 37 3HG1 VAL 37 13.895 1.150 8.113 264 2HG1 VAL 37 1HG1 VAL 37 12.883 2.529 7.622 265 3HG1 VAL 37 2HG1 VAL 37 13.734 2.562 9.185 266 1HG2 VAL 37 1HG2 VAL 37 11.218 -0.173 7.757 267 2HG2 VAL 37 2HG2 VAL 37 9.982 0.830 8.553 268 3HG2 VAL 37 3HG2 VAL 37 10.988 1.520 7.257 269 H ASN 38 H ASN 38 14.852 -0.781 10.302 270 HA ASN 38 HA ASN 38 16.612 -0.098 11.435 271 1HB ASN 38 1HB ASN 38 15.266 2.250 11.538 272 2HB ASN 38 2HB ASN 38 15.096 1.811 13.226 273 1HD2 ASN 38 2HD2 ASN 38 18.104 3.540 13.698 274 2HD2 ASN 38 1HD2 ASN 38 16.380 3.534 13.860 275 H GLY 39 H GLY 39 13.724 -1.430 12.463 276 1HA GLY 39 1HA GLY 39 13.685 -3.192 14.024 277 2HA GLY 39 2HA GLY 39 14.919 -2.389 14.974 278 H LYS 40 H LYS 40 12.930 0.100 13.997 279 HA LYS 40 HA LYS 40 11.397 -0.093 16.486 280 1HB LYS 40 1HB LYS 40 11.431 2.244 16.607 281 2HB LYS 40 2HB LYS 40 13.046 1.816 16.080 282 1HG LYS 40 1HG LYS 40 11.895 2.070 13.639 283 2HG LYS 40 2HG LYS 40 10.828 3.134 14.533 284 1HD LYS 40 1HD LYS 40 12.696 4.516 15.277 285 2HD LYS 40 2HD LYS 40 13.867 3.366 14.663 286 1HE LYS 40 1HE LYS 40 12.353 3.886 12.391 287 2HE LYS 40 2HE LYS 40 12.310 5.437 13.204 288 1HZ LYS 40 1HZ LYS 40 14.637 4.007 12.146 289 2HZ LYS 40 2HZ LYS 40 14.295 5.597 12.073 290 H GLU 41 H GLU 41 9.132 0.563 16.474 291 HA GLU 41 HA GLU 41 7.973 0.322 13.808 292 1HB GLU 41 1HB GLU 41 7.321 -1.148 16.350 293 2HB GLU 41 2HB GLU 41 5.986 -0.731 15.294 294 1HG GLU 41 1HG GLU 41 6.502 -2.494 13.969 295 2HG GLU 41 2HG GLU 41 8.037 -1.741 13.585 296 H ASP 42 H ASP 42 6.766 2.082 13.247 297 HA ASP 42 HA ASP 42 5.304 3.413 15.345 298 1HB ASP 42 1HB ASP 42 6.144 5.616 14.797 299 2HB ASP 42 2HB ASP 42 7.530 4.590 15.112 300 H TYR 43 H TYR 43 3.595 4.886 14.367 301 HA TYR 43 HA TYR 43 2.734 3.822 11.805 302 1HB TYR 43 1HB TYR 43 1.499 5.833 13.787 303 2HB TYR 43 2HB TYR 43 0.626 5.001 12.516 304 HD1 TYR 43 HD1 TYR 43 2.006 2.249 13.001 305 HD2 TYR 43 HD2 TYR 43 0.118 5.073 15.602 306 HE1 TYR 43 HE1 TYR 43 1.431 0.379 14.625 307 HE2 TYR 43 HE2 TYR 43 -0.450 3.193 17.218 308 HH TYR 43 HH TYR 43 0.821 0.703 17.600 309 H ARG 44 H ARG 44 3.903 4.815 10.157 310 HA ARG 44 HA ARG 44 3.559 7.703 10.078 311 1HB ARG 44 1HB ARG 44 6.029 6.216 10.134 312 2HB ARG 44 2HB ARG 44 5.879 6.905 8.530 313 1HG ARG 44 1HG ARG 44 5.588 9.158 9.452 314 2HG ARG 44 2HG ARG 44 5.498 8.531 11.085 315 1HD ARG 44 1HD ARG 44 7.936 7.515 9.989 316 2HD ARG 44 2HD ARG 44 7.862 9.201 9.518 317 HE ARG 44 HE ARG 44 7.213 8.655 12.349 318 1HH1 ARG 44 2HH2 ARG 44 9.706 9.601 10.016 319 2HH1 ARG 44 1HH2 ARG 44 10.732 10.316 11.215 320 HH2 ARG 44 HH1 ARG 44 10.041 10.303 13.509 321 H LYS 45 H LYS 45 4.039 8.475 7.628 322 HA LYS 45 HA LYS 45 2.274 6.866 6.004 323 1HB LYS 45 1HB LYS 45 3.484 9.622 5.709 324 2HB LYS 45 2HB LYS 45 2.579 8.854 4.420 325 1HG LYS 45 1HG LYS 45 0.787 9.865 5.448 326 2HG LYS 45 2HG LYS 45 0.828 8.434 6.459 327 1HD LYS 45 1HD LYS 45 0.989 9.906 8.199 328 2HD LYS 45 2HD LYS 45 2.680 10.018 7.751 329 1HE LYS 45 1HE LYS 45 2.196 12.269 7.624 330 2HE LYS 45 2HE LYS 45 1.684 11.842 6.003 331 1HZ LYS 45 1HZ LYS 45 -0.294 12.687 6.649 332 2HZ LYS 45 2HZ LYS 45 -0.527 11.318 7.500 333 H CYS 46 H CYS 46 2.842 5.667 4.214 334 HA CYS 46 HA CYS 46 5.413 4.690 4.063 335 1HB CYS 46 1HB CYS 46 3.577 4.709 1.684 336 2HB CYS 46 2HB CYS 46 4.724 3.482 2.185 337 H GLY 47 H GLY 47 3.688 7.178 2.052 338 1HA GLY 47 1HA GLY 47 6.032 7.784 0.504 339 2HA GLY 47 2HA GLY 47 4.484 8.604 0.476 340 H THR 48 H THR 48 6.938 7.993 3.095 341 HA THR 48 HA THR 48 6.685 10.802 3.855 342 HB THR 48 HB THR 48 7.619 8.222 5.148 343 HG1 THR 48 HG1 THR 48 5.398 9.314 5.188 344 1HG2 THR 48 1HG2 THR 48 8.762 10.907 5.614 345 2HG2 THR 48 2HG2 THR 48 7.934 10.267 7.054 346 3HG2 THR 48 3HG2 THR 48 9.256 9.342 6.302 347 H ALA 49 H ALA 49 8.214 12.326 3.554 348 HA ALA 49 HA ALA 49 10.198 11.938 1.674 349 1HB ALA 49 2HB ALA 49 9.071 14.080 2.751 350 2HB ALA 49 3HB ALA 49 10.482 14.014 3.834 351 3HB ALA 49 1HB ALA 49 10.716 14.166 2.076 352 H GLY 50 H GLY 50 11.732 10.353 1.883 353 1HA GLY 50 1HA GLY 50 13.996 10.169 2.823 354 2HA GLY 50 2HA GLY 50 13.274 10.345 4.411 355 H CYS 51 H CYS 51 10.903 8.687 2.880 356 HA CYS 51 HA CYS 51 12.093 6.122 3.633 357 1HB CYS 51 1HB CYS 51 9.208 7.054 3.669 358 2HB CYS 51 2HB CYS 51 9.680 5.378 3.873 359 H HIS 52 H HIS 52 9.053 6.517 1.824 360 HA HIS 52 HA HIS 52 10.380 5.281 -0.467 361 1HB HIS 52 1HB HIS 52 7.495 5.282 0.449 362 2HB HIS 52 2HB HIS 52 8.006 4.672 -1.112 363 HD1 HIS 52 HD1 HIS 52 9.965 2.684 -0.922 364 HD2 HIS 52 HD2 HIS 52 7.540 3.394 2.426 365 HE1 HIS 52 HE1 HIS 52 10.146 0.605 0.546 366 H ASP 53 H ASP 53 11.266 7.468 -1.015 367 HA ASP 53 HA ASP 53 9.221 8.935 -2.478 368 1HB ASP 53 1HB ASP 53 9.650 10.446 -0.727 369 2HB ASP 53 2HB ASP 53 11.317 9.937 -0.555 370 H SER 54 H SER 54 10.045 7.598 -4.328 371 HA SER 54 HA SER 54 12.751 8.344 -5.109 372 1HB SER 54 1HB SER 54 12.804 6.328 -6.459 373 2HB SER 54 2HB SER 54 12.261 5.892 -4.851 374 HG SER 54 HG SER 54 9.994 6.217 -5.833 375 H MET 55 H MET 55 9.311 8.474 -5.905 376 HA MET 55 HA MET 55 8.205 9.180 -7.672 377 1HB MET 55 1HB MET 55 10.175 11.240 -6.813 378 2HB MET 55 2HB MET 55 9.576 11.516 -8.436 379 1HG MET 55 1HG MET 55 7.960 12.646 -7.165 380 2HG MET 55 2HG MET 55 7.193 11.083 -7.364 381 1HE MET 55 2HE MET 55 6.743 9.560 -6.006 382 2HE MET 55 3HE MET 55 7.857 9.038 -4.720 383 3HE MET 55 1HE MET 55 6.355 9.896 -4.302 384 H ASP 56 H ASP 56 10.193 7.215 -8.435 385 HA ASP 56 HA ASP 56 11.074 8.296 -10.989 386 1HB ASP 56 1HB ASP 56 12.463 6.835 -9.071 387 2HB ASP 56 2HB ASP 56 11.977 5.577 -10.189 388 H LYS 57 H LYS 57 9.422 5.564 -9.289 389 HA LYS 57 HA LYS 57 7.876 4.130 -9.946 390 1HB LYS 57 1HB LYS 57 6.775 6.094 -10.963 391 2HB LYS 57 2HB LYS 57 7.653 5.820 -12.455 392 1HG LYS 57 1HG LYS 57 6.027 3.560 -11.260 393 2HG LYS 57 2HG LYS 57 5.204 4.833 -12.140 394 1HD LYS 57 1HD LYS 57 7.531 4.010 -13.665 395 2HD LYS 57 2HD LYS 57 6.625 2.580 -13.212 396 1HE LYS 57 1HE LYS 57 5.463 3.133 -15.142 397 2HE LYS 57 2HE LYS 57 4.530 4.074 -13.995 398 1HZ LYS 57 1HZ LYS 57 6.834 5.176 -15.513 399 2HZ LYS 57 2HZ LYS 57 5.281 5.371 -15.961 400 H LYS 58 H LYS 58 9.651 4.976 -13.009 401 HA LYS 58 HA LYS 58 9.839 2.230 -13.719 402 1HB LYS 58 1HB LYS 58 10.688 4.849 -14.862 403 2HB LYS 58 2HB LYS 58 11.565 3.428 -15.394 404 1HG LYS 58 1HG LYS 58 8.534 3.376 -15.330 405 2HG LYS 58 2HG LYS 58 9.356 4.169 -16.659 406 1HD LYS 58 1HD LYS 58 10.475 2.137 -17.322 407 2HD LYS 58 2HD LYS 58 10.074 1.333 -15.817 408 1HE LYS 58 1HE LYS 58 8.554 0.467 -17.480 409 2HE LYS 58 2HE LYS 58 7.610 1.527 -16.452 410 1HZ LYS 58 1HZ LYS 58 8.638 2.127 -19.163 411 2HZ LYS 58 2HZ LYS 58 7.088 2.136 -18.663 412 H ASP 59 H ASP 59 10.731 1.804 -11.375 413 HA ASP 59 HA ASP 59 13.403 1.099 -11.730 414 1HB ASP 59 1HB ASP 59 14.498 2.488 -10.071 415 2HB ASP 59 2HB ASP 59 13.701 3.553 -11.212 416 H LYS 60 H LYS 60 11.316 -0.508 -11.155 417 HA LYS 60 HA LYS 60 10.227 -0.763 -8.723 418 1HB LYS 60 1HB LYS 60 11.379 -3.039 -10.365 419 2HB LYS 60 2HB LYS 60 10.132 -3.175 -9.143 420 1HG LYS 60 1HG LYS 60 9.421 -1.092 -11.064 421 2HG LYS 60 2HG LYS 60 9.783 -2.585 -11.907 422 1HD LYS 60 1HD LYS 60 8.196 -3.812 -10.400 423 2HD LYS 60 2HD LYS 60 7.825 -2.310 -9.577 424 1HE LYS 60 1HE LYS 60 7.021 -1.340 -11.760 425 2HE LYS 60 2HE LYS 60 7.342 -2.875 -12.542 426 1HZ LYS 60 1HZ LYS 60 4.997 -2.260 -11.391 427 2HZ LYS 60 2HZ LYS 60 5.502 -3.793 -11.606 428 H SER 61 H SER 61 11.323 -0.125 -6.891 429 HA SER 61 HA SER 61 13.320 -1.979 -6.006 430 1HB SER 61 1HB SER 61 14.856 -0.035 -5.316 431 2HB SER 61 2HB SER 61 14.846 -0.460 -7.016 432 HG SER 61 HG SER 61 12.919 1.462 -6.285 433 H ALA 62 H ALA 62 14.032 -1.205 -3.615 434 HA ALA 62 HA ALA 62 11.753 -1.213 -2.062 435 1HB ALA 62 2HB ALA 62 14.271 -1.744 -1.554 436 2HB ALA 62 3HB ALA 62 14.358 -0.024 -1.104 437 3HB ALA 62 1HB ALA 62 13.234 -1.111 -0.253 438 H LYS 63 H LYS 63 13.904 1.549 -3.007 439 HA LYS 63 HA LYS 63 12.413 3.468 -1.596 440 1HB LYS 63 1HB LYS 63 14.513 3.533 -3.744 441 2HB LYS 63 2HB LYS 63 13.659 5.005 -3.326 442 1HG LYS 63 1HG LYS 63 14.518 3.516 -0.931 443 2HG LYS 63 2HG LYS 63 15.872 3.919 -1.969 444 1HD LYS 63 1HD LYS 63 15.048 6.320 -2.020 445 2HD LYS 63 2HD LYS 63 13.802 5.879 -0.871 446 1HE LYS 63 1HE LYS 63 15.540 6.734 0.502 447 2HE LYS 63 2HE LYS 63 15.733 4.998 0.637 448 1HZ LYS 63 1HZ LYS 63 17.588 5.040 -0.771 449 2HZ LYS 63 2HZ LYS 63 17.219 6.479 -1.439 450 H GLY 64 H GLY 64 11.837 1.702 -4.536 451 1HA GLY 64 1HA GLY 64 10.294 3.601 -5.942 452 2HA GLY 64 2HA GLY 64 10.262 1.860 -6.134 453 H TYR 65 H TYR 65 8.868 4.646 -4.400 454 HA TYR 65 HA TYR 65 7.218 3.398 -2.609 455 1HB TYR 65 1HB TYR 65 7.475 5.841 -2.788 456 2HB TYR 65 2HB TYR 65 6.984 5.829 -4.471 457 HD1 TYR 65 HD1 TYR 65 5.664 5.085 -1.045 458 HD2 TYR 65 HD2 TYR 65 4.771 6.334 -5.038 459 HE1 TYR 65 HE1 TYR 65 3.271 5.598 -0.357 460 HE2 TYR 65 HE2 TYR 65 2.381 6.842 -4.338 461 HH TYR 65 HH TYR 65 1.359 6.398 -0.963 462 H TYR 66 H TYR 66 6.818 3.797 -6.154 463 HA TYR 66 HA TYR 66 4.130 2.786 -6.093 464 1HB TYR 66 1HB TYR 66 4.690 4.335 -7.858 465 2HB TYR 66 2HB TYR 66 6.283 3.638 -8.079 466 HD1 TYR 66 HD1 TYR 66 6.470 1.354 -9.211 467 HD2 TYR 66 HD2 TYR 66 2.860 3.650 -9.200 468 HE1 TYR 66 HE1 TYR 66 5.598 0.007 -11.183 469 HE2 TYR 66 HE2 TYR 66 2.001 2.295 -11.172 470 HH TYR 66 HH TYR 66 3.831 0.599 -13.125 471 H HIS 67 H HIS 67 7.117 1.334 -5.620 472 HA HIS 67 HA HIS 67 6.380 -1.057 -7.115 473 1HB HIS 67 1HB HIS 67 8.559 -0.830 -7.628 474 2HB HIS 67 2HB HIS 67 8.901 0.176 -6.235 475 HD1 HIS 67 HD1 HIS 67 9.132 -3.316 -7.475 476 HD2 HIS 67 HD2 HIS 67 9.498 -1.305 -3.812 477 HE1 HIS 67 HE1 HIS 67 10.275 -4.944 -5.877 478 H VAL 68 H VAL 68 6.289 0.383 -3.964 479 HA VAL 68 HA VAL 68 6.147 -2.232 -2.673 480 HB VAL 68 HB VAL 68 5.993 -0.701 -0.610 481 1HG1 VAL 68 1HG1 VAL 68 8.005 -2.040 -1.556 482 2HG1 VAL 68 2HG1 VAL 68 8.612 -0.453 -2.086 483 3HG1 VAL 68 3HG1 VAL 68 8.314 -0.760 -0.358 484 1HG2 VAL 68 3HG2 VAL 68 5.479 1.355 -1.984 485 2HG2 VAL 68 1HG2 VAL 68 6.801 1.541 -0.807 486 3HG2 VAL 68 2HG2 VAL 68 7.172 1.325 -2.534 487 H MET 69 H MET 69 4.129 -0.567 -4.537 488 HA MET 69 HA MET 69 1.880 -0.992 -2.723 489 1HB MET 69 1HB MET 69 2.131 0.976 -5.068 490 2HB MET 69 2HB MET 69 0.714 0.804 -4.051 491 1HG MET 69 1HG MET 69 3.442 1.481 -2.873 492 2HG MET 69 2HG MET 69 2.372 2.729 -3.481 493 1HE MET 69 2HE MET 69 3.627 1.369 -0.558 494 2HE MET 69 3HE MET 69 3.107 3.070 -0.496 495 3HE MET 69 1HE MET 69 2.421 1.888 0.644 496 H HIS 70 H HIS 70 3.522 -2.087 -5.482 497 HA HIS 70 HA HIS 70 1.126 -3.517 -6.323 498 1HB HIS 70 1HB HIS 70 3.071 -2.378 -8.334 499 2HB HIS 70 2HB HIS 70 1.518 -3.131 -8.636 500 HD1 HIS 70 HD1 HIS 70 2.970 0.044 -7.090 501 HD2 HIS 70 HD2 HIS 70 -0.626 -1.394 -8.701 502 HE1 HIS 70 HE1 HIS 70 1.405 2.053 -7.251 503 H ASP 71 H ASP 71 4.679 -3.195 -7.054 504 HA ASP 71 HA ASP 71 5.255 -5.612 -7.876 505 1HB ASP 71 1HB ASP 71 6.736 -3.535 -6.954 506 2HB ASP 71 2HB ASP 71 6.984 -4.635 -5.613 507 H LYS 72 H LYS 72 5.566 -7.742 -6.985 508 HA LYS 72 HA LYS 72 4.517 -8.053 -4.265 509 1HB LYS 72 1HB LYS 72 4.693 -10.219 -6.362 510 2HB LYS 72 2HB LYS 72 3.732 -10.196 -4.898 511 1HG LYS 72 1HG LYS 72 2.357 -8.332 -5.797 512 2HG LYS 72 2HG LYS 72 3.349 -8.272 -7.241 513 1HD LYS 72 1HD LYS 72 2.570 -10.987 -7.029 514 2HD LYS 72 2HD LYS 72 1.134 -10.083 -6.588 515 1HE LYS 72 1HE LYS 72 2.779 -9.609 -9.122 516 2HE LYS 72 2HE LYS 72 1.285 -10.523 -9.059 517 1HZ LYS 72 1HZ LYS 72 0.131 -8.610 -9.113 518 2HZ LYS 72 2HZ LYS 72 0.927 -7.981 -7.839 519 H ASN 73 H ASN 73 7.227 -8.713 -6.485 520 HA ASN 73 HA ASN 73 8.531 -10.503 -4.791 521 1HB ASN 73 1HB ASN 73 8.918 -9.807 -7.352 522 2HB ASN 73 2HB ASN 73 10.038 -8.649 -6.662 523 1HD2 ASN 73 2HD2 ASN 73 11.373 -12.238 -7.424 524 2HD2 ASN 73 1HD2 ASN 73 10.132 -11.326 -8.217 525 H THR 74 H THR 74 7.994 -9.002 -2.783 526 HA THR 74 HA THR 74 10.317 -7.254 -2.352 527 HB THR 74 HB THR 74 8.751 -5.685 -1.160 528 HG1 THR 74 HG1 THR 74 6.856 -6.737 -0.692 529 1HG2 THR 74 1HG2 THR 74 8.555 -6.302 -4.067 530 2HG2 THR 74 2HG2 THR 74 7.126 -5.472 -3.405 531 3HG2 THR 74 3HG2 THR 74 8.736 -4.727 -3.258 532 H LYS 75 H LYS 75 11.043 -7.091 -0.158 533 HA LYS 75 HA LYS 75 10.913 -9.561 1.170 534 1HB LYS 75 1HB LYS 75 12.894 -8.246 1.327 535 2HB LYS 75 2HB LYS 75 12.020 -6.849 1.921 536 1HG LYS 75 1HG LYS 75 11.288 -8.469 3.888 537 2HG LYS 75 2HG LYS 75 12.655 -9.435 3.371 538 1HD LYS 75 1HD LYS 75 12.896 -6.458 3.988 539 2HD LYS 75 2HD LYS 75 13.119 -7.692 5.212 540 1HE LYS 75 1HE LYS 75 14.658 -8.060 2.660 541 2HE LYS 75 2HE LYS 75 15.160 -6.727 3.682 542 1HZ LYS 75 1HZ LYS 75 15.622 -8.201 5.449 543 2HZ LYS 75 2HZ LYS 75 14.768 -9.434 4.813 544 H PHE 76 H PHE 76 8.945 -6.642 1.267 545 HA PHE 76 HA PHE 76 7.550 -7.738 3.616 546 1HB PHE 76 1HB PHE 76 7.818 -4.926 2.381 547 2HB PHE 76 2HB PHE 76 6.786 -5.270 3.755 548 HD1 PHE 76 HD2 PHE 76 8.016 -6.427 5.815 549 HD2 PHE 76 HD1 PHE 76 9.978 -4.150 2.771 550 HE1 PHE 76 HE2 PHE 76 9.972 -6.004 7.383 551 HE2 PHE 76 HE1 PHE 76 11.928 -3.735 4.348 552 HZ PHE 76 HZ PHE 76 11.838 -4.745 6.679 553 H LYS 77 H LYS 77 5.184 -7.531 3.635 554 HA LYS 77 HA LYS 77 4.069 -8.343 1.188 555 1HB LYS 77 1HB LYS 77 3.052 -7.721 3.934 556 2HB LYS 77 2HB LYS 77 1.892 -7.822 2.625 557 1HG LYS 77 1HG LYS 77 3.902 -10.016 2.627 558 2HG LYS 77 2HG LYS 77 2.875 -9.991 4.047 559 1HD LYS 77 1HD LYS 77 1.577 -11.285 2.593 560 2HD LYS 77 2HD LYS 77 0.903 -9.693 2.306 561 1HE LYS 77 1HE LYS 77 1.526 -9.767 0.124 562 2HE LYS 77 2HE LYS 77 3.199 -10.040 0.569 563 1HZ LYS 77 1HZ LYS 77 1.171 -12.000 -0.156 564 2HZ LYS 77 2HZ LYS 77 2.774 -12.028 -0.441 565 H SER 78 H SER 78 3.290 -7.202 -0.510 566 HA SER 78 HA SER 78 3.213 -4.327 -0.153 567 1HB SER 78 1HB SER 78 3.635 -4.129 -2.450 568 2HB SER 78 2HB SER 78 4.519 -5.586 -2.043 569 HG SER 78 HG SER 78 3.275 -5.959 -3.935 570 H CYS 79 H CYS 79 1.374 -3.090 -1.137 571 HA CYS 79 HA CYS 79 -1.038 -3.797 -0.230 572 1HB CYS 79 1HB CYS 79 -0.590 -2.281 -2.808 573 2HB CYS 79 2HB CYS 79 -2.017 -2.219 -1.793 574 H VAL 80 H VAL 80 -0.108 -4.101 -3.745 575 HA VAL 80 HA VAL 80 -2.255 -5.797 -4.351 576 HB VAL 80 HB VAL 80 0.386 -5.290 -5.735 577 1HG1 VAL 80 2HG1 VAL 80 -2.105 -6.734 -6.685 578 2HG1 VAL 80 3HG1 VAL 80 -0.860 -6.097 -7.786 579 3HG1 VAL 80 1HG1 VAL 80 -0.439 -7.355 -6.600 580 1HG2 VAL 80 2HG2 VAL 80 -1.134 -3.317 -5.362 581 2HG2 VAL 80 3HG2 VAL 80 -0.792 -3.684 -7.070 582 3HG2 VAL 80 1HG2 VAL 80 -2.355 -4.148 -6.356 583 H GLY 81 H GLY 81 1.116 -6.364 -3.269 584 1HA GLY 81 1HA GLY 81 1.417 -9.038 -3.805 585 2HA GLY 81 2HA GLY 81 2.090 -8.204 -2.417 586 H CYS 82 H CYS 82 0.158 -7.622 -0.691 587 HA CYS 82 HA CYS 82 -0.592 -10.101 0.337 588 1HB CYS 82 1HB CYS 82 -0.196 -8.097 1.724 589 2HB CYS 82 2HB CYS 82 -1.629 -7.339 1.059 590 H HIS 83 H HIS 83 -2.359 -7.504 -1.463 591 HA HIS 83 HA HIS 83 -4.890 -8.538 -1.291 592 1HB HIS 83 1HB HIS 83 -3.460 -6.855 -3.330 593 2HB HIS 83 2HB HIS 83 -5.101 -7.387 -3.638 594 HD1 HIS 83 HD1 HIS 83 -5.913 -4.887 -3.500 595 HD2 HIS 83 HD2 HIS 83 -4.268 -6.399 0.050 596 HE1 HIS 83 HE1 HIS 83 -6.547 -3.238 -1.660 597 H VAL 84 H VAL 84 -2.233 -9.327 -3.603 598 HA VAL 84 HA VAL 84 -3.687 -10.986 -5.272 599 HB VAL 84 HB VAL 84 -0.786 -11.032 -4.425 600 1HG1 VAL 84 1HG1 VAL 84 -2.078 -13.097 -5.703 601 2HG1 VAL 84 2HG1 VAL 84 -1.466 -12.133 -7.069 602 3HG1 VAL 84 3HG1 VAL 84 -0.340 -12.733 -5.827 603 1HG2 VAL 84 2HG2 VAL 84 -2.270 -9.191 -5.973 604 2HG2 VAL 84 3HG2 VAL 84 -0.503 -9.279 -5.774 605 3HG2 VAL 84 1HG2 VAL 84 -1.291 -10.136 -7.121 606 H GLU 85 H GLU 85 -2.228 -11.553 -2.053 607 HA GLU 85 HA GLU 85 -2.668 -14.347 -2.191 608 1HB GLU 85 1HB GLU 85 -1.551 -12.398 -0.262 609 2HB GLU 85 2HB GLU 85 -2.379 -13.738 0.505 610 1HG GLU 85 1HG GLU 85 -0.765 -14.762 -1.682 611 2HG GLU 85 2HG GLU 85 0.233 -13.729 -0.677 612 H VAL 86 H VAL 86 -4.450 -11.484 -1.035 613 HA VAL 86 HA VAL 86 -6.377 -12.998 0.424 614 HB VAL 86 HB VAL 86 -6.398 -10.153 -0.603 615 1HG1 VAL 86 2HG1 VAL 86 -8.642 -11.206 0.008 616 2HG1 VAL 86 3HG1 VAL 86 -8.035 -11.281 1.680 617 3HG1 VAL 86 1HG1 VAL 86 -8.204 -9.708 0.864 618 1HG2 VAL 86 1HG2 VAL 86 -4.739 -11.319 1.326 619 2HG2 VAL 86 2HG2 VAL 86 -5.043 -9.582 1.080 620 3HG2 VAL 86 3HG2 VAL 86 -6.013 -10.498 2.259 621 H ALA 87 H ALA 87 -6.384 -11.222 -2.747 622 HA ALA 87 HA ALA 87 -8.957 -12.095 -3.457 623 1HB ALA 87 1HB ALA 87 -7.781 -10.115 -4.399 624 2HB ALA 87 2HB ALA 87 -6.632 -11.204 -5.212 625 3HB ALA 87 3HB ALA 87 -8.352 -11.225 -5.668 626 H GLY 88 H GLY 88 -5.838 -13.663 -3.374 627 1HA GLY 88 1HA GLY 88 -5.060 -15.575 -4.338 628 2HA GLY 88 2HA GLY 88 -6.563 -16.199 -3.688 629 H ALA 89 H ALA 89 -7.519 -17.504 -5.189 630 HA ALA 89 HA ALA 89 -7.218 -16.833 -7.999 631 1HB ALA 89 3HB ALA 89 -6.819 -19.146 -7.148 632 2HB ALA 89 1HB ALA 89 -8.523 -19.224 -6.638 633 3HB ALA 89 2HB ALA 89 -8.117 -19.075 -8.364 634 H ASP 90 H ASP 90 -8.529 -14.795 -7.658 635 HA ASP 90 HA ASP 90 -11.258 -15.446 -8.247 636 1HB ASP 90 1HB ASP 90 -11.057 -15.094 -5.708 637 2HB ASP 90 2HB ASP 90 -10.598 -13.437 -6.047 638 H ALA 91 H ALA 91 -10.733 -14.534 -10.351 639 HA ALA 91 HA ALA 91 -9.297 -12.344 -10.951 640 1HB ALA 91 3HB ALA 91 -10.990 -14.044 -12.283 641 2HB ALA 91 1HB ALA 91 -11.880 -12.507 -12.394 642 3HB ALA 91 2HB ALA 91 -10.214 -12.618 -13.012 643 H ALA 92 H ALA 92 -12.791 -12.378 -9.973 644 HA ALA 92 HA ALA 92 -13.402 -9.765 -10.203 645 1HB ALA 92 1HB ALA 92 -14.660 -11.893 -9.216 646 2HB ALA 92 2HB ALA 92 -14.166 -11.177 -7.663 647 3HB ALA 92 3HB ALA 92 -15.175 -10.243 -8.794 648 H LYS 93 H LYS 93 -12.045 -11.233 -7.160 649 HA LYS 93 HA LYS 93 -11.517 -8.721 -6.015 650 1HB LYS 93 1HB LYS 93 -10.685 -11.552 -5.391 651 2HB LYS 93 2HB LYS 93 -10.041 -10.202 -4.480 652 1HG LYS 93 1HG LYS 93 -13.035 -10.593 -4.902 653 2HG LYS 93 2HG LYS 93 -12.182 -11.314 -3.552 654 1HD LYS 93 1HD LYS 93 -11.658 -9.210 -2.582 655 2HD LYS 93 2HD LYS 93 -11.879 -8.347 -4.091 656 1HE LYS 93 1HE LYS 93 -14.292 -9.791 -3.056 657 2HE LYS 93 2HE LYS 93 -13.759 -8.422 -2.101 658 1HZ LYS 93 1HZ LYS 93 -13.813 -7.898 -4.943 659 2HZ LYS 93 2HZ LYS 93 -15.283 -8.219 -4.320 660 H LYS 94 H LYS 94 -9.719 -10.877 -8.198 661 HA LYS 94 HA LYS 94 -7.230 -9.547 -7.794 662 1HB LYS 94 1HB LYS 94 -8.007 -11.964 -8.839 663 2HB LYS 94 2HB LYS 94 -7.630 -11.063 -10.294 664 1HG LYS 94 1HG LYS 94 -5.376 -10.825 -9.743 665 2HG LYS 94 2HG LYS 94 -5.681 -10.826 -8.017 666 1HD LYS 94 1HD LYS 94 -4.751 -12.944 -8.232 667 2HD LYS 94 2HD LYS 94 -6.438 -13.353 -8.469 668 1HE LYS 94 1HE LYS 94 -6.140 -13.866 -10.690 669 2HE LYS 94 2HE LYS 94 -5.061 -12.513 -10.964 670 1HZ LYS 94 1HZ LYS 94 -3.346 -13.932 -10.804 671 2HZ LYS 94 2HZ LYS 94 -3.751 -14.345 -9.282 672 H LYS 95 H LYS 95 -10.105 -8.459 -9.043 673 HA LYS 95 HA LYS 95 -8.698 -6.740 -10.968 674 1HB LYS 95 1HB LYS 95 -10.613 -8.513 -11.656 675 2HB LYS 95 2HB LYS 95 -11.632 -7.150 -11.240 676 1HG LYS 95 1HG LYS 95 -10.681 -5.753 -12.901 677 2HG LYS 95 2HG LYS 95 -9.206 -6.695 -12.996 678 1HD LYS 95 1HD LYS 95 -11.521 -8.357 -13.667 679 2HD LYS 95 2HD LYS 95 -11.493 -6.918 -14.667 680 1HE LYS 95 1HE LYS 95 -8.800 -8.054 -14.409 681 2HE LYS 95 2HE LYS 95 -9.926 -9.257 -15.005 682 1HZ LYS 95 1HZ LYS 95 -10.296 -8.058 -16.915 683 2HZ LYS 95 2HZ LYS 95 -10.074 -6.601 -16.223 684 H ASP 96 H ASP 96 -10.020 -6.945 -7.903 685 HA ASP 96 HA ASP 96 -10.811 -4.140 -8.033 686 1HB ASP 96 1HB ASP 96 -12.159 -6.458 -6.936 687 2HB ASP 96 2HB ASP 96 -11.748 -5.386 -5.611 688 H LEU 97 H LEU 97 -9.199 -6.813 -6.223 689 HA LEU 97 HA LEU 97 -8.115 -4.948 -4.289 690 1HB LEU 97 1HB LEU 97 -8.002 -7.943 -4.611 691 2HB LEU 97 2HB LEU 97 -7.058 -7.086 -3.408 692 HG LEU 97 HG LEU 97 -10.060 -7.347 -3.591 693 1HD1 LEU 97 2HD1 LEU 97 -8.300 -8.972 -2.385 694 2HD1 LEU 97 3HD1 LEU 97 -8.542 -7.791 -1.076 695 3HD1 LEU 97 1HD1 LEU 97 -9.936 -8.665 -1.755 696 1HD2 LEU 97 1HD2 LEU 97 -8.455 -5.201 -2.299 697 2HD2 LEU 97 2HD2 LEU 97 -10.105 -5.167 -2.967 698 3HD2 LEU 97 3HD2 LEU 97 -9.808 -5.885 -1.366 699 H THR 98 H THR 98 -7.218 -6.693 -7.246 700 HA THR 98 HA THR 98 -4.595 -5.370 -7.094 701 HB THR 98 HB THR 98 -3.543 -7.399 -7.901 702 HG1 THR 98 HG1 THR 98 -4.837 -8.789 -9.055 703 1HG2 THR 98 1HG2 THR 98 -5.710 -8.153 -5.870 704 2HG2 THR 98 2HG2 THR 98 -4.336 -9.196 -6.306 705 3HG2 THR 98 3HG2 THR 98 -4.049 -7.640 -5.491 706 H GLY 99 H GLY 99 -7.427 -4.959 -8.405 707 1HA GLY 99 1HA GLY 99 -7.072 -5.252 -11.187 708 2HA GLY 99 2HA GLY 99 -8.218 -4.207 -10.371 709 H CYS 100 H CYS 100 -6.632 -3.624 -12.801 710 HA CYS 100 HA CYS 100 -4.662 -1.723 -11.870 711 1HB CYS 100 1HB CYS 100 -5.303 -3.056 -14.425 712 2HB CYS 100 2HB CYS 100 -4.763 -1.395 -14.571 713 H LYS 101 H LYS 101 -7.633 -1.806 -13.980 714 HA LYS 101 HA LYS 101 -8.142 0.955 -13.117 715 1HB LYS 101 1HB LYS 101 -7.317 0.853 -15.456 716 2HB LYS 101 2HB LYS 101 -8.649 -0.205 -15.873 717 1HG LYS 101 1HG LYS 101 -10.131 1.734 -14.782 718 2HG LYS 101 2HG LYS 101 -8.720 2.720 -15.110 719 1HD LYS 101 1HD LYS 101 -9.392 2.917 -17.264 720 2HD LYS 101 2HD LYS 101 -9.137 1.196 -17.478 721 1HE LYS 101 1HE LYS 101 -11.378 1.066 -17.874 722 2HE LYS 101 2HE LYS 101 -11.578 1.246 -16.142 723 1HZ LYS 101 1HZ LYS 101 -12.812 2.909 -17.570 724 2HZ LYS 101 2HZ LYS 101 -11.905 3.577 -16.394 725 H LYS 102 H LYS 102 -10.256 1.445 -12.510 726 HA LYS 102 HA LYS 102 -12.346 1.095 -11.885 727 1HB LYS 102 1HB LYS 102 -12.099 -0.730 -14.198 728 2HB LYS 102 2HB LYS 102 -13.390 -1.129 -13.083 729 1HG LYS 102 1HG LYS 102 -13.892 1.493 -13.200 730 2HG LYS 102 2HG LYS 102 -12.998 1.395 -14.704 731 1HD LYS 102 1HD LYS 102 -14.978 0.781 -15.651 732 2HD LYS 102 2HD LYS 102 -14.689 -0.791 -14.932 733 1HE LYS 102 1HE LYS 102 -16.691 -0.465 -13.876 734 2HE LYS 102 2HE LYS 102 -15.785 0.567 -12.787 735 1HZ LYS 102 1HZ LYS 102 -16.638 2.442 -13.758 736 2HZ LYS 102 2HZ LYS 102 -16.716 1.812 -15.258 737 H SER 103 H SER 103 -10.356 0.328 -10.167 738 HA SER 103 HA SER 103 -11.434 -2.170 -9.112 739 1HB SER 103 1HB SER 103 -8.952 -1.912 -7.910 740 2HB SER 103 2HB SER 103 -9.304 -2.933 -9.290 741 HG SER 103 HG SER 103 -8.384 -0.186 -9.413 742 H LYS 104 H LYS 104 -10.348 -2.116 -6.542 743 HA LYS 104 HA LYS 104 -11.957 -0.092 -5.336 744 1HB LYS 104 1HB LYS 104 -10.174 -2.277 -4.236 745 2HB LYS 104 2HB LYS 104 -11.049 -1.156 -3.213 746 1HG LYS 104 1HG LYS 104 -12.633 -2.506 -5.379 747 2HG LYS 104 2HG LYS 104 -12.100 -3.520 -4.052 748 1HD LYS 104 1HD LYS 104 -13.034 -1.380 -2.630 749 2HD LYS 104 2HD LYS 104 -14.061 -1.254 -4.044 750 1HE LYS 104 1HE LYS 104 -13.697 -3.878 -2.533 751 2HE LYS 104 2HE LYS 104 -14.939 -2.718 -2.103 752 1HZ LYS 104 1HZ LYS 104 -15.304 -2.956 -4.765 753 2HZ LYS 104 2HZ LYS 104 -14.826 -4.469 -4.400 754 H CYS 105 H CYS 105 -8.538 -0.551 -6.152 755 HA CYS 105 HA CYS 105 -7.717 1.605 -4.441 756 1HB CYS 105 1HB CYS 105 -6.179 0.020 -6.526 757 2HB CYS 105 2HB CYS 105 -5.479 1.214 -5.451 758 H HIS 106 H HIS 106 -7.503 0.935 -8.022 759 HA HIS 106 HA HIS 106 -7.596 3.811 -8.452 760 1HB HIS 106 1HB HIS 106 -6.870 1.518 -10.296 761 2HB HIS 106 2HB HIS 106 -6.903 3.203 -10.775 762 HD1 HIS 106 HD1 HIS 106 -5.349 4.741 -8.840 763 HD2 HIS 106 HD2 HIS 106 -4.320 0.772 -9.726 764 HE1 HIS 106 HE1 HIS 106 -2.900 4.472 -8.177 765 H GLU 107 H GLU 107 -9.188 4.813 -9.752 766 HA GLU 107 HA GLU 107 -11.458 3.064 -10.306 767 1HB GLU 107 1HB GLU 107 -11.293 5.832 -9.127 768 2HB GLU 107 2HB GLU 107 -12.693 5.437 -10.105 769 1HG GLU 107 1HG GLU 107 -11.998 3.306 -8.167 770 2HG GLU 107 2HG GLU 107 -12.378 4.834 -7.396 771 HHA HEC 108 HHA HEC 108 -0.884 6.567 7.497 772 HHB HEC 108 HHB HEC 108 -1.722 3.999 13.312 773 HHC HEC 108 HHC HEC 108 -2.500 -1.780 10.654 774 HHD HEC 108 HHD HEC 108 -1.241 0.739 4.853 775 1HMA HEC 108 1HMA HEC 108 -1.730 6.020 13.509 776 2HMA HEC 108 2HMA HEC 108 -0.186 6.795 13.083 777 3HMA HEC 108 3HMA HEC 108 -1.724 7.595 12.680 778 1HAA HEC 108 1HAA HEC 108 -0.369 7.960 8.848 779 2HAA HEC 108 2HAA HEC 108 -1.646 8.492 9.967 780 1HBA HEC 108 1HBA HEC 108 0.663 7.830 11.505 781 2HBA HEC 108 2HBA HEC 108 1.160 8.878 10.155 782 1HMB HEC 108 1HMB HEC 108 -2.455 0.865 15.235 783 2HMB HEC 108 2HMB HEC 108 -1.808 2.484 14.876 784 3HMB HEC 108 3HMB HEC 108 -3.556 2.176 14.748 785 HAB HEC 108 HAB HEC 108 -3.179 -1.893 12.528 786 1HBB HEC 108 1HBB HEC 108 -3.919 -0.649 15.146 787 2HBB HEC 108 2HBB HEC 108 -4.902 -0.303 13.703 788 3HBB HEC 108 3HBB HEC 108 -4.686 -1.983 14.252 789 1HMC HEC 108 1HMC HEC 108 -3.678 -3.280 8.064 790 2HMC HEC 108 2HMC HEC 108 -2.047 -3.786 7.560 791 3HMC HEC 108 3HMC HEC 108 -2.352 -3.323 9.252 792 HAC HEC 108 HAC HEC 108 -2.048 -1.162 4.553 793 1HBC HEC 108 1HBC HEC 108 -3.108 -3.141 4.130 794 2HBC HEC 108 2HBC HEC 108 -2.492 -3.922 5.606 795 3HBC HEC 108 3HBC HEC 108 -3.815 -2.736 5.713 796 1HMD HEC 108 1HMD HEC 108 0.023 2.066 3.544 797 2HMD HEC 108 2HMD HEC 108 -1.444 2.943 3.049 798 3HMD HEC 108 3HMD HEC 108 0.123 3.785 3.095 799 1HAD HEC 108 1HAD HEC 108 -0.598 6.766 5.503 800 2HAD HEC 108 2HAD HEC 108 0.830 5.972 4.798 801 1HBD HEC 108 1HBD HEC 108 -1.423 5.225 3.234 802 2HBD HEC 108 2HBD HEC 108 -1.491 6.985 3.492 803 HHA HEC 109 HHA HEC 109 11.700 -2.358 1.704 804 HHB HEC 109 HHB HEC 109 5.338 -1.670 1.298 805 HHC HEC 109 HHC HEC 109 5.598 3.233 5.419 806 HHD HEC 109 HHD HEC 109 12.074 3.178 4.918 807 1HMA HEC 109 1HMA HEC 109 7.241 -4.038 -0.741 808 2HMA HEC 109 2HMA HEC 109 6.605 -4.578 0.832 809 3HMA HEC 109 3HMA HEC 109 5.893 -3.161 0.023 810 1HAA HEC 109 1HAA HEC 109 10.979 -3.997 0.810 811 2HAA HEC 109 2HAA HEC 109 9.528 -4.964 0.451 812 1HBA HEC 109 1HBA HEC 109 9.277 -3.656 -1.668 813 2HBA HEC 109 2HBA HEC 109 10.848 -2.897 -1.318 814 1HMB HEC 109 1HMB HEC 109 2.430 -0.515 3.291 815 2HMB HEC 109 2HMB HEC 109 2.812 0.054 1.648 816 3HMB HEC 109 3HMB HEC 109 3.457 -1.502 2.224 817 HAB HEC 109 HAB HEC 109 3.706 2.682 5.282 818 1HBB HEC 109 1HBB HEC 109 2.061 1.491 6.183 819 2HBB HEC 109 2HBB HEC 109 1.392 1.061 4.590 820 3HBB HEC 109 3HBB HEC 109 2.710 0.093 5.293 821 1HMC HEC 109 1HMC HEC 109 6.506 4.565 6.954 822 2HMC HEC 109 2HMC HEC 109 7.970 5.437 7.467 823 3HMC HEC 109 3HMC HEC 109 7.164 5.872 5.941 824 HAC HEC 109 HAC HEC 109 11.612 4.718 6.031 825 1HBC HEC 109 1HBC HEC 109 11.561 5.425 8.203 826 2HBC HEC 109 2HBC HEC 109 9.829 5.831 8.153 827 3HBC HEC 109 3HBC HEC 109 10.341 4.130 8.264 828 1HMD HEC 109 1HMD HEC 109 14.839 1.014 4.590 829 2HMD HEC 109 2HMD HEC 109 14.711 2.075 3.166 830 3HMD HEC 109 3HMD HEC 109 13.903 2.525 4.687 831 1HAD HEC 109 1HAD HEC 109 13.656 -2.037 2.185 832 2HAD HEC 109 2HAD HEC 109 14.355 -0.592 1.417 833 1HBD HEC 109 1HBD HEC 109 14.883 -0.966 4.319 834 2HBD HEC 109 2HBD HEC 109 15.678 -2.085 3.186 835 HHA HEC 110 HHA HEC 110 -10.221 -4.780 0.928 836 HHB HEC 110 HHB HEC 110 -6.385 0.054 -0.811 837 HHC HEC 110 HHC HEC 110 -1.488 -2.779 2.191 838 HHD HEC 110 HHD HEC 110 -5.178 -7.931 3.323 839 1HMA HEC 110 1HMA HEC 110 -8.642 0.685 -0.918 840 2HMA HEC 110 2HMA HEC 110 -8.620 -0.269 -2.420 841 3HMA HEC 110 3HMA HEC 110 -10.127 -0.115 -1.487 842 1HAA HEC 110 1HAA HEC 110 -11.207 -2.063 -1.466 843 2HAA HEC 110 2HAA HEC 110 -11.168 -3.676 -0.714 844 1HBA HEC 110 1HBA HEC 110 -11.266 -1.814 1.405 845 2HBA HEC 110 2HBA HEC 110 -12.448 -1.273 0.189 846 1HMB HEC 110 1HMB HEC 110 -4.688 0.959 -1.466 847 2HMB HEC 110 2HMB HEC 110 -3.799 1.754 -0.145 848 3HMB HEC 110 3HMB HEC 110 -2.908 0.959 -1.465 849 HAB HEC 110 HAB HEC 110 -0.767 -1.157 1.278 850 1HBB HEC 110 1HBB HEC 110 -0.074 1.138 1.089 851 2HBB HEC 110 2HBB HEC 110 -1.596 1.576 0.276 852 3HBB HEC 110 3HBB HEC 110 -1.613 1.064 1.981 853 1HMC HEC 110 1HMC HEC 110 -0.191 -4.522 2.336 854 2HMC HEC 110 2HMC HEC 110 -0.350 -5.183 3.981 855 3HMC HEC 110 3HMC HEC 110 -0.090 -6.279 2.603 856 HAC HEC 110 HAC HEC 110 -3.255 -8.123 4.390 857 1HBC HEC 110 1HBC HEC 110 -1.108 -6.792 5.021 858 2HBC HEC 110 2HBC HEC 110 -1.153 -8.559 5.228 859 3HBC HEC 110 3HBC HEC 110 -0.323 -7.848 3.822 860 1HMD HEC 110 1HMD HEC 110 -8.706 -8.787 4.118 861 2HMD HEC 110 2HMD HEC 110 -7.727 -9.519 2.824 862 3HMD HEC 110 3HMD HEC 110 -6.929 -8.727 4.204 863 1HAD HEC 110 1HAD HEC 110 -10.407 -8.064 2.886 864 2HAD HEC 110 2HAD HEC 110 -10.887 -6.352 2.803 865 1HBD HEC 110 1HBD HEC 110 -11.607 -6.562 0.709 866 2HBD HEC 110 2HBD HEC 110 -10.133 -7.417 0.196 867 HHA HEC 111 HHA HEC 111 0.544 5.418 -7.585 868 HHB HEC 111 HHB HEC 111 -0.487 1.963 -12.887 869 HHC HEC 111 HHC HEC 111 -3.277 -2.621 -9.385 870 HHD HEC 111 HHD HEC 111 -2.993 1.279 -4.207 871 1HMA HEC 111 1HMA HEC 111 1.471 5.246 -12.747 872 2HMA HEC 111 2HMA HEC 111 1.414 3.515 -13.156 873 3HMA HEC 111 3HMA HEC 111 -0.035 4.527 -13.365 874 1HAA HEC 111 1HAA HEC 111 0.717 6.862 -10.632 875 2HAA HEC 111 2HAA HEC 111 1.390 6.372 -9.059 876 1HBA HEC 111 1HBA HEC 111 3.422 6.412 -9.930 877 2HBA HEC 111 2HBA HEC 111 2.959 5.143 -11.089 878 1HMB HEC 111 1HMB HEC 111 -0.489 -1.576 -13.878 879 2HMB HEC 111 2HMB HEC 111 -1.828 -0.513 -14.373 880 3HMB HEC 111 3HMB HEC 111 -0.260 0.190 -13.906 881 HAB HEC 111 HAB HEC 111 -3.328 -3.183 -11.424 882 1HBB HEC 111 1HBB HEC 111 -1.147 -3.987 -10.689 883 2HBB HEC 111 2HBB HEC 111 -1.715 -4.882 -12.120 884 3HBB HEC 111 3HBB HEC 111 -0.462 -3.630 -12.293 885 1HMC HEC 111 1HMC HEC 111 -4.281 -3.664 -6.131 886 2HMC HEC 111 2HMC HEC 111 -5.688 -2.793 -6.788 887 3HMC HEC 111 3HMC HEC 111 -4.431 -3.412 -7.886 888 HAC HEC 111 HAC HEC 111 -3.882 -0.416 -3.625 889 1HBC HEC 111 1HBC HEC 111 -5.010 -3.132 -4.158 890 2HBC HEC 111 2HBC HEC 111 -3.244 -2.917 -4.136 891 3HBC HEC 111 3HBC HEC 111 -4.210 -2.484 -2.705 892 1HMD HEC 111 1HMD HEC 111 -2.032 4.234 -2.877 893 2HMD HEC 111 2HMD HEC 111 -2.098 2.455 -2.907 894 3HMD HEC 111 3HMD HEC 111 -0.544 3.284 -2.648 895 1HAD HEC 111 1HAD HEC 111 0.683 5.183 -3.904 896 2HAD HEC 111 2HAD HEC 111 1.001 5.688 -5.581 897 1HBD HEC 111 1HBD HEC 111 -1.164 6.900 -5.578 898 2HBD HEC 111 2HBD HEC 111 -1.364 6.471 -3.862 No H/Q in entry = 898 Start of MODEL 11 1 1H ALA 1 1H ALA 1 1.666 2.732 21.831 2 2H ALA 1 2H ALA 1 3.006 2.503 20.886 3 HA ALA 1 HA ALA 1 1.750 2.762 18.920 4 1HB ALA 1 1HB ALA 1 1.275 0.648 20.954 5 2HB ALA 1 2HB ALA 1 0.105 0.697 19.614 6 3HB ALA 1 3HB ALA 1 1.842 0.513 19.272 7 HA PRO 2 HA PRO 2 -1.787 5.218 20.022 8 1HB PRO 2 1HB PRO 2 -1.777 6.789 17.786 9 2HB PRO 2 2HB PRO 2 -0.911 7.203 19.252 10 1HG PRO 2 1HG PRO 2 0.158 6.176 16.695 11 2HG PRO 2 2HG PRO 2 1.010 6.985 17.995 12 1HD PRO 2 1HD PRO 2 1.030 4.175 17.416 13 2HD PRO 2 2HD PRO 2 1.787 4.969 18.783 14 H LYS 3 H LYS 3 -3.785 5.987 18.509 15 HA LYS 3 HA LYS 3 -4.707 3.423 17.518 16 1HB LYS 3 1HB LYS 3 -5.886 5.624 18.868 17 2HB LYS 3 2HB LYS 3 -6.644 5.541 17.291 18 1HG LYS 3 1HG LYS 3 -7.325 3.249 17.621 19 2HG LYS 3 2HG LYS 3 -6.271 3.053 19.007 20 1HD LYS 3 1HD LYS 3 -7.681 4.274 20.437 21 2HD LYS 3 2HD LYS 3 -8.380 5.209 19.129 22 1HE LYS 3 1HE LYS 3 -10.162 3.789 19.324 23 2HE LYS 3 2HE LYS 3 -9.173 2.659 18.420 24 1HZ LYS 3 1HZ LYS 3 -8.771 1.431 20.285 25 2HZ LYS 3 2HZ LYS 3 -8.692 2.710 21.290 26 H ALA 4 H ALA 4 -5.899 3.336 15.402 27 HA ALA 4 HA ALA 4 -4.227 4.303 13.360 28 1HB ALA 4 1HB ALA 4 -5.885 2.242 13.542 29 2HB ALA 4 2HB ALA 4 -7.052 3.398 12.858 30 3HB ALA 4 3HB ALA 4 -5.560 3.009 11.969 31 HA PRO 5 HA PRO 5 -6.006 8.155 12.526 32 1HB PRO 5 1HB PRO 5 -5.449 8.478 9.870 33 2HB PRO 5 2HB PRO 5 -4.269 8.749 11.137 34 1HG PRO 5 1HG PRO 5 -4.488 6.472 9.264 35 2HG PRO 5 2HG PRO 5 -3.112 6.973 10.227 36 1HD PRO 5 1HD PRO 5 -4.875 4.774 10.764 37 2HD PRO 5 2HD PRO 5 -3.571 5.346 11.785 38 H ALA 6 H ALA 6 -7.601 9.455 11.239 39 HA ALA 6 HA ALA 6 -10.002 8.096 11.229 40 1HB ALA 6 3HB ALA 6 -8.949 10.719 10.472 41 2HB ALA 6 1HB ALA 6 -10.289 10.209 9.418 42 3HB ALA 6 2HB ALA 6 -10.523 10.288 11.181 43 H ASP 7 H ASP 7 -11.421 8.267 8.981 44 HA ASP 7 HA ASP 7 -10.024 6.405 7.276 45 1HB ASP 7 1HB ASP 7 -12.165 5.717 6.518 46 2HB ASP 7 2HB ASP 7 -12.413 6.065 8.218 47 H GLY 8 H GLY 8 -10.999 6.718 4.779 48 1HA GLY 8 1HA GLY 8 -11.097 7.990 2.920 49 2HA GLY 8 2HA GLY 8 -11.428 9.392 3.919 50 H LEU 9 H LEU 9 -8.558 7.384 4.532 51 HA LEU 9 HA LEU 9 -6.878 9.655 4.134 52 1HB LEU 9 1HB LEU 9 -6.372 8.234 5.939 53 2HB LEU 9 2HB LEU 9 -6.436 6.793 4.944 54 HG LEU 9 HG LEU 9 -4.148 7.915 5.742 55 1HD1 LEU 9 3HD1 LEU 9 -4.762 5.823 4.229 56 2HD1 LEU 9 1HD1 LEU 9 -4.089 6.862 2.950 57 3HD1 LEU 9 2HD1 LEU 9 -3.095 6.435 4.364 58 1HD2 LEU 9 1HD2 LEU 9 -4.871 10.010 4.369 59 2HD2 LEU 9 2HD2 LEU 9 -3.182 9.450 4.314 60 3HD2 LEU 9 3HD2 LEU 9 -4.291 9.068 2.974 61 H LYS 10 H LYS 10 -6.797 10.336 2.010 62 HA LYS 10 HA LYS 10 -6.161 8.288 0.019 63 1HB LYS 10 1HB LYS 10 -8.037 9.449 -0.718 64 2HB LYS 10 2HB LYS 10 -7.475 10.987 -0.094 65 1HG LYS 10 1HG LYS 10 -5.569 10.872 -1.813 66 2HG LYS 10 2HG LYS 10 -6.377 9.482 -2.511 67 1HD LYS 10 1HD LYS 10 -7.250 11.233 -3.809 68 2HD LYS 10 2HD LYS 10 -8.499 11.043 -2.595 69 1HE LYS 10 1HE LYS 10 -8.179 13.354 -2.498 70 2HE LYS 10 2HE LYS 10 -7.067 12.837 -1.245 71 1HZ LYS 10 1HZ LYS 10 -5.278 13.385 -2.528 72 2HZ LYS 10 2HZ LYS 10 -5.957 12.922 -3.934 73 H MET 11 H MET 11 -4.316 8.467 -1.319 74 HA MET 11 HA MET 11 -2.404 10.450 -0.350 75 1HB MET 11 1HB MET 11 -0.696 8.597 -1.133 76 2HB MET 11 2HB MET 11 -1.533 8.354 0.387 77 1HG MET 11 1HG MET 11 -2.828 6.615 -0.437 78 2HG MET 11 2HG MET 11 -2.956 7.320 -2.036 79 1HE MET 11 2HE MET 11 -0.988 5.725 0.562 80 2HE MET 11 3HE MET 11 -0.057 4.455 -0.269 81 3HE MET 11 1HE MET 11 0.654 6.070 -0.033 82 H GLU 12 H GLU 12 -2.264 12.007 -1.922 83 HA GLU 12 HA GLU 12 -2.315 11.064 -4.674 84 1HB GLU 12 1HB GLU 12 -4.001 12.809 -3.898 85 2HB GLU 12 2HB GLU 12 -2.664 13.918 -3.663 86 1HG GLU 12 1HG GLU 12 -2.931 12.515 -6.329 87 2HG GLU 12 2HG GLU 12 -4.003 13.855 -5.975 88 H ALA 13 H ALA 13 0.002 10.311 -4.154 89 HA ALA 13 HA ALA 13 1.884 12.548 -4.156 90 1HB ALA 13 3HB ALA 13 1.985 10.552 -2.517 91 2HB ALA 13 1HB ALA 13 2.533 9.597 -3.916 92 3HB ALA 13 2HB ALA 13 3.487 10.995 -3.364 93 H THR 14 H THR 14 0.207 10.449 -6.269 94 HA THR 14 HA THR 14 2.168 11.035 -8.375 95 HB THR 14 HB THR 14 1.765 8.717 -9.250 96 HG1 THR 14 HG1 THR 14 -0.382 8.841 -7.880 97 1HG2 THR 14 3HG2 THR 14 2.752 9.055 -6.393 98 2HG2 THR 14 1HG2 THR 14 2.628 7.431 -7.109 99 3HG2 THR 14 2HG2 THR 14 3.690 8.651 -7.850 100 H LYS 15 H LYS 15 1.030 10.429 -10.616 101 HA LYS 15 HA LYS 15 -1.083 12.264 -10.823 102 1HB LYS 15 1HB LYS 15 0.617 11.677 -12.588 103 2HB LYS 15 2HB LYS 15 -0.235 10.167 -12.840 104 1HG LYS 15 1HG LYS 15 -2.289 11.356 -13.468 105 2HG LYS 15 2HG LYS 15 -1.584 12.899 -13.032 106 1HD LYS 15 1HD LYS 15 -0.275 11.134 -15.133 107 2HD LYS 15 2HD LYS 15 -1.600 12.199 -15.558 108 1HE LYS 15 1HE LYS 15 0.892 13.189 -14.104 109 2HE LYS 15 2HE LYS 15 0.772 13.162 -15.852 110 1HZ LYS 15 1HZ LYS 15 -1.406 14.449 -14.368 111 2HZ LYS 15 2HZ LYS 15 0.002 15.259 -14.488 112 H GLN 16 H GLN 16 -0.975 9.012 -9.726 113 HA GLN 16 HA GLN 16 -3.849 8.822 -10.199 114 1HB GLN 16 1HB GLN 16 -1.938 6.469 -9.883 115 2HB GLN 16 2HB GLN 16 -3.634 6.395 -10.318 116 1HG GLN 16 1HG GLN 16 -1.962 8.139 -12.074 117 2HG GLN 16 2HG GLN 16 -1.568 6.433 -12.139 118 1HE2 GLN 16 2HE2 GLN 16 -4.866 5.406 -13.248 119 2HE2 GLN 16 1HE2 GLN 16 -3.649 4.997 -12.084 120 HA PRO 17 HA PRO 17 -3.492 8.992 -5.771 121 1HB PRO 17 1HB PRO 17 -5.955 10.080 -5.304 122 2HB PRO 17 2HB PRO 17 -4.518 11.045 -5.579 123 1HG PRO 17 1HG PRO 17 -6.773 10.512 -7.416 124 2HG PRO 17 2HG PRO 17 -5.566 11.780 -7.497 125 1HD PRO 17 1HD PRO 17 -5.655 9.392 -9.083 126 2HD PRO 17 2HD PRO 17 -4.389 10.603 -9.083 127 H VAL 18 H VAL 18 -4.576 8.000 -3.903 128 HA VAL 18 HA VAL 18 -6.538 6.020 -4.728 129 HB VAL 18 HB VAL 18 -3.849 5.385 -3.507 130 1HG1 VAL 18 3HG1 VAL 18 -6.423 3.840 -3.505 131 2HG1 VAL 18 1HG1 VAL 18 -4.882 2.963 -3.664 132 3HG1 VAL 18 2HG1 VAL 18 -5.180 3.988 -2.239 133 1HG2 VAL 18 2HG2 VAL 18 -5.146 4.927 -6.157 134 2HG2 VAL 18 3HG2 VAL 18 -3.445 5.262 -5.753 135 3HG2 VAL 18 1HG2 VAL 18 -4.113 3.630 -5.509 136 H VAL 19 H VAL 19 -7.750 5.150 -2.899 137 HA VAL 19 HA VAL 19 -7.449 6.840 -0.513 138 HB VAL 19 HB VAL 19 -9.907 5.824 -1.938 139 1HG1 VAL 19 1HG1 VAL 19 -9.515 6.474 0.913 140 2HG1 VAL 19 2HG1 VAL 19 -10.870 7.331 0.138 141 3HG1 VAL 19 3HG1 VAL 19 -10.809 5.552 0.109 142 1HG2 VAL 19 3HG2 VAL 19 -8.480 8.189 -2.201 143 2HG2 VAL 19 1HG2 VAL 19 -10.169 7.918 -2.695 144 3HG2 VAL 19 2HG2 VAL 19 -9.811 8.628 -1.102 145 H PHE 20 H PHE 20 -6.770 5.714 1.229 146 HA PHE 20 HA PHE 20 -7.318 2.829 1.241 147 1HB PHE 20 1HB PHE 20 -4.927 3.727 1.288 148 2HB PHE 20 2HB PHE 20 -5.322 4.656 2.721 149 HD1 PHE 20 HD2 PHE 20 -5.075 1.161 1.434 150 HD2 PHE 20 HD1 PHE 20 -5.105 3.708 4.872 151 HE1 PHE 20 HE2 PHE 20 -4.393 -0.800 2.902 152 HE2 PHE 20 HE1 PHE 20 -4.423 1.738 6.328 153 HZ PHE 20 HZ PHE 20 -4.062 -0.521 5.220 154 H ASN 21 H ASN 21 -7.602 1.864 3.495 155 HA ASN 21 HA ASN 21 -8.868 3.756 5.287 156 1HB ASN 21 1HB ASN 21 -10.120 1.197 4.176 157 2HB ASN 21 2HB ASN 21 -10.697 1.939 5.656 158 1HD2 ASN 21 2HD2 ASN 21 -11.337 3.658 1.956 159 2HD2 ASN 21 1HD2 ASN 21 -10.160 2.413 2.212 160 H HIS 22 H HIS 22 -8.852 2.968 7.545 161 HA HIS 22 HA HIS 22 -6.937 0.794 7.907 162 1HB HIS 22 1HB HIS 22 -7.611 3.276 9.431 163 2HB HIS 22 2HB HIS 22 -7.038 1.889 10.336 164 HD1 HIS 22 HD1 HIS 22 -5.922 4.497 7.876 165 HD2 HIS 22 HD2 HIS 22 -4.324 1.170 9.870 166 HE1 HIS 22 HE1 HIS 22 -3.392 4.622 7.562 167 H SER 23 H SER 23 -10.283 1.663 8.180 168 HA SER 23 HA SER 23 -10.826 -0.152 10.304 169 1HB SER 23 1HB SER 23 -12.161 1.945 9.813 170 2HB SER 23 2HB SER 23 -12.765 1.174 8.359 171 HG SER 23 HG SER 23 -13.708 0.943 10.883 172 H THR 24 H THR 24 -9.924 -0.570 7.113 173 HA THR 24 HA THR 24 -11.683 -2.888 6.708 174 HB THR 24 HB THR 24 -9.941 -1.202 4.838 175 HG1 THR 24 HG1 THR 24 -12.783 -1.776 5.292 176 1HG2 THR 24 1HG2 THR 24 -11.198 -3.889 4.503 177 2HG2 THR 24 2HG2 THR 24 -11.656 -2.698 3.263 178 3HG2 THR 24 3HG2 THR 24 -9.941 -3.101 3.520 179 H HIS 25 H HIS 25 -8.315 -1.852 7.196 180 HA HIS 25 HA HIS 25 -7.499 -4.636 6.892 181 1HB HIS 25 1HB HIS 25 -5.837 -2.109 7.096 182 2HB HIS 25 2HB HIS 25 -5.202 -3.728 6.878 183 HD1 HIS 25 HD1 HIS 25 -7.357 -1.159 5.057 184 HD2 HIS 25 HD2 HIS 25 -5.106 -4.608 4.259 185 HE1 HIS 25 HE1 HIS 25 -7.268 -1.383 2.517 186 H LYS 26 H LYS 26 -9.159 -3.879 9.131 187 HA LYS 26 HA LYS 26 -7.569 -3.329 11.394 188 1HB LYS 26 1HB LYS 26 -10.303 -4.633 11.247 189 2HB LYS 26 2HB LYS 26 -9.578 -3.888 12.657 190 1HG LYS 26 1HG LYS 26 -9.520 -1.690 11.504 191 2HG LYS 26 2HG LYS 26 -10.157 -2.417 10.042 192 1HD LYS 26 1HD LYS 26 -12.100 -1.529 11.027 193 2HD LYS 26 2HD LYS 26 -12.158 -3.199 11.556 194 1HE LYS 26 1HE LYS 26 -10.585 -1.920 13.521 195 2HE LYS 26 2HE LYS 26 -11.838 -0.751 13.157 196 1HZ LYS 26 1HZ LYS 26 -13.357 -2.045 14.176 197 2HZ LYS 26 2HZ LYS 26 -12.906 -3.396 13.387 198 H SER 27 H SER 27 -8.758 -6.351 9.828 199 HA SER 27 HA SER 27 -7.763 -8.008 11.851 200 1HB SER 27 1HB SER 27 -8.319 -9.828 10.379 201 2HB SER 27 2HB SER 27 -9.545 -8.599 10.146 202 HG SER 27 HG SER 27 -8.129 -7.844 8.286 203 H VAL 28 H VAL 28 -6.223 -6.119 9.442 204 HA VAL 28 HA VAL 28 -4.001 -7.939 9.073 205 HB VAL 28 HB VAL 28 -4.434 -5.103 8.114 206 1HG1 VAL 28 2HG1 VAL 28 -2.070 -5.841 8.133 207 2HG1 VAL 28 3HG1 VAL 28 -2.514 -7.240 7.126 208 3HG1 VAL 28 1HG1 VAL 28 -2.691 -5.589 6.484 209 1HG2 VAL 28 1HG2 VAL 28 -5.547 -7.666 7.215 210 2HG2 VAL 28 2HG2 VAL 28 -6.040 -6.001 6.827 211 3HG2 VAL 28 3HG2 VAL 28 -4.710 -6.768 5.926 212 H LYS 29 H LYS 29 -1.954 -7.710 9.989 213 HA LYS 29 HA LYS 29 -1.887 -6.304 12.455 214 1HB LYS 29 1HB LYS 29 -0.422 -8.390 11.147 215 2HB LYS 29 2HB LYS 29 0.717 -7.162 11.664 216 1HG LYS 29 1HG LYS 29 0.551 -8.448 13.610 217 2HG LYS 29 2HG LYS 29 -0.650 -7.214 13.933 218 1HD LYS 29 1HD LYS 29 -2.366 -8.834 12.828 219 2HD LYS 29 2HD LYS 29 -1.121 -10.061 12.963 220 1HE LYS 29 1HE LYS 29 -2.241 -10.375 14.990 221 2HE LYS 29 2HE LYS 29 -0.989 -9.258 15.495 222 1HZ LYS 29 1HZ LYS 29 -3.193 -7.785 14.520 223 2HZ LYS 29 2HZ LYS 29 -3.741 -8.850 15.624 224 H CYS 30 H CYS 30 -0.989 -4.339 12.976 225 HA CYS 30 HA CYS 30 -0.724 -2.446 10.991 226 1HB CYS 30 1HB CYS 30 0.653 -2.222 13.658 227 2HB CYS 30 2HB CYS 30 -0.034 -0.949 12.669 228 H GLY 31 H GLY 31 1.542 -4.802 12.373 229 1HA GLY 31 1HA GLY 31 3.916 -3.525 11.361 230 2HA GLY 31 2HA GLY 31 3.777 -5.110 12.097 231 H ASP 32 H ASP 32 1.327 -5.121 9.861 232 HA ASP 32 HA ASP 32 2.859 -6.730 8.103 233 1HB ASP 32 1HB ASP 32 0.386 -7.031 8.804 234 2HB ASP 32 2HB ASP 32 0.010 -5.725 7.698 235 H CYS 33 H CYS 33 1.459 -3.438 8.206 236 HA CYS 33 HA CYS 33 2.330 -2.996 5.453 237 1HB CYS 33 1HB CYS 33 0.186 -1.814 7.157 238 2HB CYS 33 2HB CYS 33 0.991 -0.733 6.037 239 H HIS 34 H HIS 34 2.276 -1.458 8.755 240 HA HIS 34 HA HIS 34 4.362 0.343 8.033 241 1HB HIS 34 1HB HIS 34 3.115 -0.308 10.719 242 2HB HIS 34 2HB HIS 34 4.238 1.004 10.423 243 HD1 HIS 34 HD1 HIS 34 3.368 3.006 8.878 244 HD2 HIS 34 HD2 HIS 34 0.465 0.198 10.015 245 HE1 HIS 34 HE1 HIS 34 1.105 4.086 8.407 246 H HIS 35 H HIS 35 5.514 -1.883 7.263 247 HA HIS 35 HA HIS 35 6.632 -3.657 8.903 248 1HB HIS 35 1HB HIS 35 8.496 -3.802 7.337 249 2HB HIS 35 2HB HIS 35 6.966 -3.634 6.498 250 HD1 HIS 35 HD1 HIS 35 9.820 -1.340 7.656 251 HD2 HIS 35 HD2 HIS 35 7.011 -1.709 4.563 252 HE1 HIS 35 HE1 HIS 35 10.331 0.533 5.999 253 HA PRO 36 HA PRO 36 9.194 -1.547 11.678 254 1HB PRO 36 1HB PRO 36 10.870 -3.553 12.475 255 2HB PRO 36 2HB PRO 36 9.249 -3.350 13.109 256 1HG PRO 36 1HG PRO 36 10.243 -5.344 11.165 257 2HG PRO 36 2HG PRO 36 8.774 -5.379 12.120 258 1HD PRO 36 1HD PRO 36 8.992 -4.750 9.330 259 2HD PRO 36 2HD PRO 36 7.542 -4.673 10.312 260 H VAL 37 H VAL 37 10.564 0.052 11.250 261 HA VAL 37 HA VAL 37 12.707 -0.662 9.386 262 HB VAL 37 HB VAL 37 11.373 1.936 10.137 263 1HG1 VAL 37 1HG1 VAL 37 13.855 1.532 8.433 264 2HG1 VAL 37 2HG1 VAL 37 12.928 3.047 8.555 265 3HG1 VAL 37 3HG1 VAL 37 13.757 2.393 9.988 266 1HG2 VAL 37 2HG2 VAL 37 10.245 0.460 8.478 267 2HG2 VAL 37 3HG2 VAL 37 10.747 2.027 7.799 268 3HG2 VAL 37 1HG2 VAL 37 11.694 0.561 7.449 269 H ASN 38 H ASN 38 14.625 -1.158 10.304 270 HA ASN 38 HA ASN 38 16.455 -0.789 11.474 271 1HB ASN 38 1HB ASN 38 15.255 1.667 11.886 272 2HB ASN 38 2HB ASN 38 15.290 1.058 13.528 273 1HD2 ASN 38 2HD2 ASN 38 18.668 1.573 14.066 274 2HD2 ASN 38 1HD2 ASN 38 17.098 1.147 14.662 275 H GLY 39 H GLY 39 13.378 -1.766 12.473 276 1HA GLY 39 1HA GLY 39 13.197 -3.711 13.842 277 2HA GLY 39 2HA GLY 39 14.471 -3.092 14.874 278 H LYS 40 H LYS 40 12.642 -0.412 13.996 279 HA LYS 40 HA LYS 40 11.044 -0.664 16.444 280 1HB LYS 40 1HB LYS 40 11.313 1.618 16.818 281 2HB LYS 40 2HB LYS 40 12.890 1.111 16.248 282 1HG LYS 40 1HG LYS 40 12.358 1.904 13.961 283 2HG LYS 40 2HG LYS 40 10.731 2.325 14.459 284 1HD LYS 40 1HD LYS 40 11.549 4.058 15.964 285 2HD LYS 40 2HD LYS 40 13.208 3.526 15.774 286 1HE LYS 40 1HE LYS 40 12.205 4.030 13.133 287 2HE LYS 40 2HE LYS 40 11.699 5.383 14.126 288 1HZ LYS 40 1HZ LYS 40 13.868 5.905 13.381 289 2HZ LYS 40 2HZ LYS 40 14.104 5.437 14.923 290 H GLU 41 H GLU 41 8.828 -0.112 16.412 291 HA GLU 41 HA GLU 41 7.752 -0.117 13.711 292 1HB GLU 41 1HB GLU 41 6.960 -1.360 16.262 293 2HB GLU 41 2HB GLU 41 5.622 -0.538 15.483 294 1HG GLU 41 1HG GLU 41 5.999 -1.795 13.396 295 2HG GLU 41 2HG GLU 41 7.447 -2.530 14.057 296 H ASP 42 H ASP 42 6.389 1.533 12.976 297 HA ASP 42 HA ASP 42 5.529 3.484 14.912 298 1HB ASP 42 1HB ASP 42 7.813 3.895 13.235 299 2HB ASP 42 2HB ASP 42 6.526 4.866 12.548 300 H TYR 43 H TYR 43 3.976 5.115 13.752 301 HA TYR 43 HA TYR 43 2.709 3.779 11.454 302 1HB TYR 43 1HB TYR 43 1.522 5.497 13.722 303 2HB TYR 43 2HB TYR 43 0.589 4.673 12.488 304 HD1 TYR 43 HD1 TYR 43 2.483 2.112 12.668 305 HD2 TYR 43 HD2 TYR 43 0.253 4.403 15.511 306 HE1 TYR 43 HE1 TYR 43 2.297 0.073 14.176 307 HE2 TYR 43 HE2 TYR 43 0.074 2.357 17.009 308 HH TYR 43 HH TYR 43 0.705 -0.722 15.937 309 H ARG 44 H ARG 44 4.104 5.138 10.064 310 HA ARG 44 HA ARG 44 3.115 7.877 10.050 311 1HB ARG 44 1HB ARG 44 5.812 6.909 10.173 312 2HB ARG 44 2HB ARG 44 5.606 7.577 8.566 313 1HG ARG 44 1HG ARG 44 5.219 9.742 9.352 314 2HG ARG 44 2HG ARG 44 4.523 9.191 10.863 315 1HD ARG 44 1HD ARG 44 6.684 8.692 11.806 316 2HD ARG 44 2HD ARG 44 7.475 8.768 10.245 317 HE ARG 44 HE ARG 44 7.441 11.142 10.336 318 1HH1 ARG 44 2HH2 ARG 44 5.647 9.762 13.062 319 2HH1 ARG 44 1HH2 ARG 44 5.568 11.260 13.928 320 HH2 ARG 44 HH1 ARG 44 6.568 13.220 12.979 321 H LYS 45 H LYS 45 3.795 8.799 7.591 322 HA LYS 45 HA LYS 45 2.188 7.155 5.858 323 1HB LYS 45 1HB LYS 45 3.476 9.873 5.470 324 2HB LYS 45 2HB LYS 45 2.427 9.091 4.305 325 1HG LYS 45 1HG LYS 45 0.888 10.413 5.475 326 2HG LYS 45 2HG LYS 45 0.737 8.890 6.328 327 1HD LYS 45 1HD LYS 45 1.710 9.708 8.249 328 2HD LYS 45 2HD LYS 45 2.886 10.667 7.373 329 1HE LYS 45 1HE LYS 45 1.264 12.427 6.941 330 2HE LYS 45 2HE LYS 45 -0.065 11.428 7.494 331 1HZ LYS 45 1HZ LYS 45 2.063 11.829 9.435 332 2HZ LYS 45 2HZ LYS 45 1.204 13.165 9.075 333 H CYS 46 H CYS 46 2.871 5.951 4.111 334 HA CYS 46 HA CYS 46 5.486 5.027 4.136 335 1HB CYS 46 1HB CYS 46 3.782 4.860 1.675 336 2HB CYS 46 2HB CYS 46 4.901 3.684 2.336 337 H GLY 47 H GLY 47 3.748 7.379 1.985 338 1HA GLY 47 1HA GLY 47 6.074 7.979 0.429 339 2HA GLY 47 2HA GLY 47 4.529 8.806 0.411 340 H THR 48 H THR 48 7.044 8.229 2.981 341 HA THR 48 HA THR 48 6.831 11.067 3.669 342 HB THR 48 HB THR 48 7.603 8.500 5.070 343 HG1 THR 48 HG1 THR 48 6.223 11.007 5.728 344 1HG2 THR 48 2HG2 THR 48 8.424 11.325 5.931 345 2HG2 THR 48 3HG2 THR 48 8.462 9.888 6.982 346 3HG2 THR 48 1HG2 THR 48 9.538 9.985 5.566 347 H ALA 49 H ALA 49 8.427 12.527 3.365 348 HA ALA 49 HA ALA 49 10.411 12.022 1.516 349 1HB ALA 49 1HB ALA 49 9.684 14.164 3.442 350 2HB ALA 49 2HB ALA 49 11.381 14.161 2.907 351 3HB ALA 49 3HB ALA 49 10.069 14.267 1.708 352 H GLY 50 H GLY 50 11.988 10.502 1.711 353 1HA GLY 50 1HA GLY 50 14.198 10.235 2.708 354 2HA GLY 50 2HA GLY 50 13.452 10.424 4.283 355 H CYS 51 H CYS 51 11.031 8.832 2.879 356 HA CYS 51 HA CYS 51 12.176 6.236 3.578 357 1HB CYS 51 1HB CYS 51 9.312 7.231 3.609 358 2HB CYS 51 2HB CYS 51 9.750 5.548 3.826 359 H HIS 52 H HIS 52 9.143 6.685 1.773 360 HA HIS 52 HA HIS 52 10.444 5.425 -0.519 361 1HB HIS 52 1HB HIS 52 7.561 5.470 0.403 362 2HB HIS 52 2HB HIS 52 8.062 4.846 -1.156 363 HD1 HIS 52 HD1 HIS 52 9.974 2.822 -0.970 364 HD2 HIS 52 HD2 HIS 52 7.600 3.599 2.399 365 HE1 HIS 52 HE1 HIS 52 10.133 0.749 0.510 366 H ASP 53 H ASP 53 11.330 7.719 -0.893 367 HA ASP 53 HA ASP 53 9.339 9.127 -2.485 368 1HB ASP 53 1HB ASP 53 10.176 10.184 -0.180 369 2HB ASP 53 2HB ASP 53 11.599 10.601 -1.112 370 H SER 54 H SER 54 10.378 7.778 -4.249 371 HA SER 54 HA SER 54 13.050 8.755 -4.889 372 1HB SER 54 1HB SER 54 13.570 6.685 -5.833 373 2HB SER 54 2HB SER 54 12.526 6.201 -4.512 374 HG SER 54 HG SER 54 11.937 5.150 -6.511 375 H MET 55 H MET 55 9.675 8.474 -5.867 376 HA MET 55 HA MET 55 8.547 9.155 -7.598 377 1HB MET 55 1HB MET 55 10.612 11.175 -7.076 378 2HB MET 55 2HB MET 55 10.203 11.177 -8.780 379 1HG MET 55 1HG MET 55 8.604 12.668 -7.906 380 2HG MET 55 2HG MET 55 7.700 11.167 -7.947 381 1HE MET 55 2HE MET 55 6.465 10.302 -6.089 382 2HE MET 55 3HE MET 55 7.955 9.408 -5.700 383 3HE MET 55 1HE MET 55 7.045 10.227 -4.407 384 H ASP 56 H ASP 56 10.354 6.932 -8.084 385 HA ASP 56 HA ASP 56 10.785 7.386 -10.928 386 1HB ASP 56 1HB ASP 56 12.505 5.676 -9.071 387 2HB ASP 56 2HB ASP 56 12.745 5.846 -10.798 388 H LYS 57 H LYS 57 8.529 6.415 -11.009 389 HA LYS 57 HA LYS 57 7.661 4.121 -9.939 390 1HB LYS 57 1HB LYS 57 6.250 5.468 -11.326 391 2HB LYS 57 2HB LYS 57 7.254 5.201 -12.736 392 1HG LYS 57 1HG LYS 57 6.449 2.636 -11.599 393 2HG LYS 57 2HG LYS 57 5.035 3.635 -11.868 394 1HD LYS 57 1HD LYS 57 7.116 3.481 -14.053 395 2HD LYS 57 2HD LYS 57 6.050 2.110 -13.824 396 1HE LYS 57 1HE LYS 57 4.061 3.591 -14.063 397 2HE LYS 57 2HE LYS 57 5.104 4.989 -14.233 398 1HZ LYS 57 1HZ LYS 57 4.652 4.353 -16.425 399 2HZ LYS 57 2HZ LYS 57 6.111 3.669 -16.192 400 H LYS 58 H LYS 58 9.540 4.308 -13.046 401 HA LYS 58 HA LYS 58 9.907 1.459 -12.997 402 1HB LYS 58 1HB LYS 58 9.957 3.521 -14.945 403 2HB LYS 58 2HB LYS 58 11.563 2.820 -14.922 404 1HG LYS 58 1HG LYS 58 9.152 0.986 -14.901 405 2HG LYS 58 2HG LYS 58 9.645 1.732 -16.409 406 1HD LYS 58 1HD LYS 58 11.769 0.394 -14.732 407 2HD LYS 58 2HD LYS 58 10.651 -0.630 -15.611 408 1HE LYS 58 1HE LYS 58 12.080 1.662 -17.009 409 2HE LYS 58 2HE LYS 58 12.870 0.112 -16.799 410 1HZ LYS 58 1HZ LYS 58 11.068 0.753 -18.782 411 2HZ LYS 58 2HZ LYS 58 11.629 -0.739 -18.453 412 H ASP 59 H ASP 59 10.863 1.705 -10.697 413 HA ASP 59 HA ASP 59 13.731 1.846 -11.073 414 1HB ASP 59 1HB ASP 59 13.026 4.007 -10.061 415 2HB ASP 59 2HB ASP 59 12.181 3.151 -8.787 416 H LYS 60 H LYS 60 11.063 1.274 -8.646 417 HA LYS 60 HA LYS 60 10.619 -0.413 -7.294 418 1HB LYS 60 1HB LYS 60 12.483 -2.117 -8.967 419 2HB LYS 60 2HB LYS 60 11.191 -2.669 -7.921 420 1HG LYS 60 1HG LYS 60 9.826 -2.584 -9.734 421 2HG LYS 60 2HG LYS 60 9.898 -0.838 -9.608 422 1HD LYS 60 1HD LYS 60 11.305 -0.628 -11.412 423 2HD LYS 60 2HD LYS 60 12.259 -2.028 -10.962 424 1HE LYS 60 1HE LYS 60 10.384 -3.519 -11.783 425 2HE LYS 60 2HE LYS 60 9.520 -2.091 -12.317 426 1HZ LYS 60 1HZ LYS 60 11.460 -3.448 -13.739 427 2HZ LYS 60 2HZ LYS 60 10.797 -2.019 -14.151 428 H SER 61 H SER 61 12.703 -2.607 -6.677 429 HA SER 61 HA SER 61 14.536 -2.888 -5.483 430 1HB SER 61 1HB SER 61 15.238 -0.520 -6.527 431 2HB SER 61 2HB SER 61 14.951 0.038 -4.891 432 HG SER 61 HG SER 61 17.084 -1.387 -5.892 433 H ALA 62 H ALA 62 13.153 0.208 -4.149 434 HA ALA 62 HA ALA 62 11.616 -1.027 -2.174 435 1HB ALA 62 3HB ALA 62 14.166 -1.484 -1.526 436 2HB ALA 62 1HB ALA 62 14.050 0.175 -0.894 437 3HB ALA 62 2HB ALA 62 12.950 -1.086 -0.289 438 H LYS 63 H LYS 63 13.786 1.760 -2.961 439 HA LYS 63 HA LYS 63 12.234 3.651 -1.576 440 1HB LYS 63 1HB LYS 63 14.307 3.866 -3.767 441 2HB LYS 63 2HB LYS 63 13.534 5.271 -3.062 442 1HG LYS 63 1HG LYS 63 14.480 3.398 -0.994 443 2HG LYS 63 2HG LYS 63 15.784 3.913 -2.046 444 1HD LYS 63 1HD LYS 63 14.858 6.335 -1.686 445 2HD LYS 63 2HD LYS 63 13.949 5.651 -0.353 446 1HE LYS 63 1HE LYS 63 16.062 4.819 0.680 447 2HE LYS 63 2HE LYS 63 16.984 5.456 -0.668 448 1HZ LYS 63 1HZ LYS 63 16.678 6.892 1.466 449 2HZ LYS 63 2HZ LYS 63 16.600 7.630 0.016 450 H GLY 64 H GLY 64 11.591 1.803 -4.376 451 1HA GLY 64 1HA GLY 64 10.186 3.705 -5.938 452 2HA GLY 64 2HA GLY 64 10.072 1.959 -6.031 453 H TYR 65 H TYR 65 8.730 4.913 -4.604 454 HA TYR 65 HA TYR 65 7.024 3.875 -2.716 455 1HB TYR 65 1HB TYR 65 7.436 6.293 -3.177 456 2HB TYR 65 2HB TYR 65 6.804 6.127 -4.803 457 HD1 TYR 65 HD1 TYR 65 5.830 6.021 -1.209 458 HD2 TYR 65 HD2 TYR 65 4.495 6.420 -5.254 459 HE1 TYR 65 HE1 TYR 65 3.518 6.690 -0.388 460 HE2 TYR 65 HE2 TYR 65 2.188 7.088 -4.419 461 HH TYR 65 HH TYR 65 1.490 8.261 -1.803 462 H TYR 66 H TYR 66 6.694 3.990 -6.290 463 HA TYR 66 HA TYR 66 3.984 2.993 -6.143 464 1HB TYR 66 1HB TYR 66 4.440 4.502 -7.960 465 2HB TYR 66 2HB TYR 66 6.063 3.882 -8.183 466 HD1 TYR 66 HD1 TYR 66 6.345 1.567 -9.249 467 HD2 TYR 66 HD2 TYR 66 2.646 3.716 -9.288 468 HE1 TYR 66 HE1 TYR 66 5.525 0.136 -11.184 469 HE2 TYR 66 HE2 TYR 66 1.839 2.277 -11.222 470 HH TYR 66 HH TYR 66 2.470 -0.204 -12.004 471 H HIS 67 H HIS 67 6.944 1.588 -5.609 472 HA HIS 67 HA HIS 67 6.300 -0.822 -7.116 473 1HB HIS 67 1HB HIS 67 8.495 -0.542 -7.547 474 2HB HIS 67 2HB HIS 67 8.770 0.442 -6.123 475 HD1 HIS 67 HD1 HIS 67 9.161 -2.993 -7.434 476 HD2 HIS 67 HD2 HIS 67 9.209 -1.108 -3.687 477 HE1 HIS 67 HE1 HIS 67 10.236 -4.647 -5.815 478 H VAL 68 H VAL 68 6.420 0.590 -3.877 479 HA VAL 68 HA VAL 68 6.134 -2.008 -2.627 480 HB VAL 68 HB VAL 68 5.956 -0.495 -0.563 481 1HG1 VAL 68 1HG1 VAL 68 7.998 -1.784 -1.498 482 2HG1 VAL 68 2HG1 VAL 68 8.572 -0.188 -2.036 483 3HG1 VAL 68 3HG1 VAL 68 8.283 -0.493 -0.307 484 1HG2 VAL 68 3HG2 VAL 68 5.573 1.524 -2.297 485 2HG2 VAL 68 1HG2 VAL 68 6.302 1.752 -0.690 486 3HG2 VAL 68 2HG2 VAL 68 7.342 1.626 -2.129 487 H MET 69 H MET 69 4.134 -0.371 -4.525 488 HA MET 69 HA MET 69 1.863 -0.778 -2.734 489 1HB MET 69 1HB MET 69 2.027 1.092 -5.160 490 2HB MET 69 2HB MET 69 0.713 1.013 -4.003 491 1HG MET 69 1HG MET 69 3.505 1.595 -2.989 492 2HG MET 69 2HG MET 69 2.612 2.879 -3.780 493 1HE MET 69 1HE MET 69 3.608 3.287 -1.135 494 2HE MET 69 2HE MET 69 2.485 3.171 0.242 495 3HE MET 69 3HE MET 69 3.397 1.737 -0.287 496 H HIS 70 H HIS 70 3.534 -1.840 -5.524 497 HA HIS 70 HA HIS 70 1.173 -3.356 -6.320 498 1HB HIS 70 1HB HIS 70 3.077 -2.187 -8.352 499 2HB HIS 70 2HB HIS 70 1.544 -2.985 -8.639 500 HD1 HIS 70 HD1 HIS 70 2.900 0.234 -7.085 501 HD2 HIS 70 HD2 HIS 70 -0.629 -1.297 -8.757 502 HE1 HIS 70 HE1 HIS 70 1.285 2.201 -7.270 503 H ASP 71 H ASP 71 4.724 -2.944 -7.012 504 HA ASP 71 HA ASP 71 5.384 -5.329 -7.851 505 1HB ASP 71 1HB ASP 71 6.807 -3.251 -6.917 506 2HB ASP 71 2HB ASP 71 6.997 -4.289 -5.517 507 H LYS 72 H LYS 72 5.323 -7.473 -7.098 508 HA LYS 72 HA LYS 72 4.425 -7.836 -4.340 509 1HB LYS 72 1HB LYS 72 4.456 -9.998 -6.430 510 2HB LYS 72 2HB LYS 72 3.431 -9.835 -5.018 511 1HG LYS 72 1HG LYS 72 2.362 -7.802 -6.073 512 2HG LYS 72 2HG LYS 72 3.338 -8.062 -7.505 513 1HD LYS 72 1HD LYS 72 1.699 -10.377 -6.478 514 2HD LYS 72 2HD LYS 72 0.854 -9.072 -7.286 515 1HE LYS 72 1HE LYS 72 1.436 -10.009 -9.270 516 2HE LYS 72 2HE LYS 72 3.099 -9.572 -8.934 517 1HZ LYS 72 1HZ LYS 72 3.600 -11.705 -8.381 518 2HZ LYS 72 2HZ LYS 72 2.203 -11.980 -7.591 519 H ASN 73 H ASN 73 7.115 -8.325 -6.566 520 HA ASN 73 HA ASN 73 8.352 -10.302 -4.967 521 1HB ASN 73 1HB ASN 73 9.568 -8.457 -7.092 522 2HB ASN 73 2HB ASN 73 10.307 -9.922 -6.477 523 1HD2 ASN 73 2HD2 ASN 73 8.463 -12.182 -8.393 524 2HD2 ASN 73 1HD2 ASN 73 9.575 -11.916 -7.092 525 H THR 74 H THR 74 7.896 -8.699 -2.975 526 HA THR 74 HA THR 74 10.318 -7.062 -2.627 527 HB THR 74 HB THR 74 8.829 -5.489 -1.317 528 HG1 THR 74 HG1 THR 74 6.671 -6.103 -1.156 529 1HG2 THR 74 2HG2 THR 74 9.180 -5.280 -3.917 530 2HG2 THR 74 3HG2 THR 74 7.534 -5.948 -4.034 531 3HG2 THR 74 1HG2 THR 74 7.812 -4.407 -3.188 532 H LYS 75 H LYS 75 11.060 -6.845 -0.401 533 HA LYS 75 HA LYS 75 11.038 -9.344 0.885 534 1HB LYS 75 1HB LYS 75 12.981 -7.970 1.025 535 2HB LYS 75 2HB LYS 75 12.076 -6.611 1.660 536 1HG LYS 75 1HG LYS 75 11.613 -7.810 3.749 537 2HG LYS 75 2HG LYS 75 12.304 -9.288 3.110 538 1HD LYS 75 1HD LYS 75 14.505 -7.938 2.806 539 2HD LYS 75 2HD LYS 75 13.760 -6.705 3.803 540 1HE LYS 75 1HE LYS 75 15.068 -8.135 5.268 541 2HE LYS 75 2HE LYS 75 13.377 -8.450 5.600 542 1HZ LYS 75 1HZ LYS 75 14.919 -10.453 5.226 543 2HZ LYS 75 2HZ LYS 75 13.481 -10.488 4.464 544 H PHE 76 H PHE 76 8.951 -6.526 1.028 545 HA PHE 76 HA PHE 76 7.637 -7.702 3.385 546 1HB PHE 76 1HB PHE 76 7.879 -4.851 2.241 547 2HB PHE 76 2HB PHE 76 6.800 -5.240 3.567 548 HD1 PHE 76 HD2 PHE 76 8.077 -6.632 5.549 549 HD2 PHE 76 HD1 PHE 76 9.903 -3.891 2.818 550 HE1 PHE 76 HE2 PHE 76 9.973 -6.241 7.198 551 HE2 PHE 76 HE1 PHE 76 11.793 -3.510 4.476 552 HZ PHE 76 HZ PHE 76 11.747 -4.777 6.679 553 H LYS 77 H LYS 77 5.249 -7.450 3.453 554 HA LYS 77 HA LYS 77 4.117 -8.256 1.003 555 1HB LYS 77 1HB LYS 77 3.073 -7.631 3.752 556 2HB LYS 77 2HB LYS 77 1.947 -7.854 2.428 557 1HG LYS 77 1HG LYS 77 3.121 -10.066 1.911 558 2HG LYS 77 2HG LYS 77 4.055 -9.849 3.378 559 1HD LYS 77 1HD LYS 77 2.326 -10.529 4.695 560 2HD LYS 77 2HD LYS 77 1.198 -9.448 3.901 561 1HE LYS 77 1HE LYS 77 0.447 -11.744 3.540 562 2HE LYS 77 2HE LYS 77 0.987 -11.093 2.005 563 1HZ LYS 77 1HZ LYS 77 2.605 -12.851 3.772 564 2HZ LYS 77 2HZ LYS 77 1.916 -13.298 2.366 565 H SER 78 H SER 78 3.368 -7.080 -0.678 566 HA SER 78 HA SER 78 3.254 -4.218 -0.268 567 1HB SER 78 1HB SER 78 3.557 -3.989 -2.605 568 2HB SER 78 2HB SER 78 4.566 -5.358 -2.181 569 HG SER 78 HG SER 78 3.415 -6.038 -3.966 570 H CYS 79 H CYS 79 1.401 -2.981 -1.272 571 HA CYS 79 HA CYS 79 -0.997 -3.689 -0.315 572 1HB CYS 79 1HB CYS 79 -0.578 -2.177 -2.901 573 2HB CYS 79 2HB CYS 79 -2.003 -2.123 -1.883 574 H VAL 80 H VAL 80 -0.129 -3.995 -3.845 575 HA VAL 80 HA VAL 80 -2.276 -5.711 -4.403 576 HB VAL 80 HB VAL 80 0.324 -5.181 -5.852 577 1HG1 VAL 80 1HG1 VAL 80 -1.711 -7.147 -6.367 578 2HG1 VAL 80 2HG1 VAL 80 -1.732 -5.923 -7.660 579 3HG1 VAL 80 3HG1 VAL 80 -0.227 -6.796 -7.285 580 1HG2 VAL 80 2HG2 VAL 80 -1.466 -3.312 -5.345 581 2HG2 VAL 80 3HG2 VAL 80 -0.712 -3.437 -6.953 582 3HG2 VAL 80 1HG2 VAL 80 -2.346 -4.090 -6.682 583 H GLY 81 H GLY 81 1.143 -6.247 -3.444 584 1HA GLY 81 1HA GLY 81 1.453 -8.913 -3.977 585 2HA GLY 81 2HA GLY 81 2.151 -8.076 -2.605 586 H CYS 82 H CYS 82 0.232 -7.508 -0.844 587 HA CYS 82 HA CYS 82 -0.445 -9.993 0.217 588 1HB CYS 82 1HB CYS 82 -0.073 -7.970 1.581 589 2HB CYS 82 2HB CYS 82 -1.532 -7.249 0.931 590 H HIS 83 H HIS 83 -2.305 -7.452 -1.570 591 HA HIS 83 HA HIS 83 -4.807 -8.543 -1.349 592 1HB HIS 83 1HB HIS 83 -3.449 -6.846 -3.426 593 2HB HIS 83 2HB HIS 83 -5.081 -7.420 -3.704 594 HD1 HIS 83 HD1 HIS 83 -6.032 -4.993 -3.556 595 HD2 HIS 83 HD2 HIS 83 -4.138 -6.326 -0.058 596 HE1 HIS 83 HE1 HIS 83 -6.657 -3.328 -1.726 597 H VAL 84 H VAL 84 -2.159 -9.308 -3.677 598 HA VAL 84 HA VAL 84 -3.603 -11.009 -5.316 599 HB VAL 84 HB VAL 84 -0.690 -11.059 -4.506 600 1HG1 VAL 84 2HG1 VAL 84 -1.758 -13.144 -5.669 601 2HG1 VAL 84 3HG1 VAL 84 -1.743 -12.114 -7.120 602 3HG1 VAL 84 1HG1 VAL 84 -0.221 -12.485 -6.277 603 1HG2 VAL 84 2HG2 VAL 84 -2.181 -9.131 -5.948 604 2HG2 VAL 84 3HG2 VAL 84 -0.414 -9.233 -5.757 605 3HG2 VAL 84 1HG2 VAL 84 -1.206 -10.019 -7.144 606 H GLU 85 H GLU 85 -2.056 -11.528 -2.125 607 HA GLU 85 HA GLU 85 -2.444 -14.325 -2.224 608 1HB GLU 85 1HB GLU 85 -1.357 -12.328 -0.327 609 2HB GLU 85 2HB GLU 85 -2.149 -13.675 0.465 610 1HG GLU 85 1HG GLU 85 -0.533 -14.696 -1.720 611 2HG GLU 85 2HG GLU 85 0.452 -13.624 -0.745 612 H VAL 86 H VAL 86 -4.290 -11.498 -1.075 613 HA VAL 86 HA VAL 86 -6.166 -13.056 0.406 614 HB VAL 86 HB VAL 86 -6.250 -10.210 -0.614 615 1HG1 VAL 86 3HG1 VAL 86 -8.348 -11.740 0.413 616 2HG1 VAL 86 1HG1 VAL 86 -7.780 -10.781 1.800 617 3HG1 VAL 86 2HG1 VAL 86 -8.278 -9.965 0.298 618 1HG2 VAL 86 1HG2 VAL 86 -4.359 -10.926 0.983 619 2HG2 VAL 86 2HG2 VAL 86 -5.341 -9.513 1.437 620 3HG2 VAL 86 3HG2 VAL 86 -5.637 -11.088 2.211 621 H ALA 87 H ALA 87 -6.274 -11.243 -2.744 622 HA ALA 87 HA ALA 87 -8.819 -12.221 -3.430 623 1HB ALA 87 3HB ALA 87 -6.998 -10.327 -4.374 624 2HB ALA 87 1HB ALA 87 -7.070 -11.534 -5.680 625 3HB ALA 87 2HB ALA 87 -8.562 -10.744 -5.115 626 H GLY 88 H GLY 88 -5.456 -13.342 -4.053 627 1HA GLY 88 1HA GLY 88 -4.688 -15.182 -5.135 628 2HA GLY 88 2HA GLY 88 -5.854 -15.991 -4.107 629 H ALA 89 H ALA 89 -6.779 -17.552 -5.397 630 HA ALA 89 HA ALA 89 -7.584 -16.761 -8.093 631 1HB ALA 89 3HB ALA 89 -6.166 -18.792 -7.756 632 2HB ALA 89 1HB ALA 89 -7.472 -19.506 -6.779 633 3HB ALA 89 2HB ALA 89 -7.738 -19.161 -8.505 634 H ASP 90 H ASP 90 -9.175 -15.373 -6.546 635 HA ASP 90 HA ASP 90 -11.486 -17.064 -6.028 636 1HB ASP 90 1HB ASP 90 -10.325 -15.328 -4.319 637 2HB ASP 90 2HB ASP 90 -11.339 -14.177 -5.165 638 H ALA 91 H ALA 91 -10.074 -14.605 -8.062 639 HA ALA 91 HA ALA 91 -10.814 -13.408 -9.768 640 1HB ALA 91 3HB ALA 91 -12.064 -15.878 -9.956 641 2HB ALA 91 1HB ALA 91 -13.421 -14.735 -10.105 642 3HB ALA 91 2HB ALA 91 -12.040 -14.629 -11.224 643 H ALA 92 H ALA 92 -12.199 -11.600 -10.312 644 HA ALA 92 HA ALA 92 -13.761 -10.040 -9.946 645 1HB ALA 92 1HB ALA 92 -15.065 -12.152 -8.945 646 2HB ALA 92 2HB ALA 92 -14.781 -11.286 -7.416 647 3HB ALA 92 3HB ALA 92 -15.672 -10.492 -8.736 648 H LYS 93 H LYS 93 -12.375 -11.384 -6.869 649 HA LYS 93 HA LYS 93 -12.182 -8.837 -5.661 650 1HB LYS 93 1HB LYS 93 -10.941 -11.525 -5.027 651 2HB LYS 93 2HB LYS 93 -10.709 -10.102 -4.032 652 1HG LYS 93 1HG LYS 93 -13.295 -9.908 -3.966 653 2HG LYS 93 2HG LYS 93 -13.334 -11.517 -4.658 654 1HD LYS 93 1HD LYS 93 -11.798 -12.248 -2.709 655 2HD LYS 93 2HD LYS 93 -12.129 -10.687 -1.984 656 1HE LYS 93 1HE LYS 93 -14.293 -11.250 -1.422 657 2HE LYS 93 2HE LYS 93 -14.559 -12.143 -2.907 658 1HZ LYS 93 1HZ LYS 93 -12.752 -13.245 -0.851 659 2HZ LYS 93 2HZ LYS 93 -14.360 -13.450 -0.705 660 H LYS 94 H LYS 94 -9.942 -10.920 -7.558 661 HA LYS 94 HA LYS 94 -7.682 -9.303 -7.152 662 1HB LYS 94 1HB LYS 94 -6.615 -10.723 -8.633 663 2HB LYS 94 2HB LYS 94 -7.890 -11.744 -7.998 664 1HG LYS 94 1HG LYS 94 -9.316 -10.969 -10.021 665 2HG LYS 94 2HG LYS 94 -7.838 -10.297 -10.680 666 1HD LYS 94 1HD LYS 94 -7.218 -12.964 -9.817 667 2HD LYS 94 2HD LYS 94 -8.735 -13.057 -10.689 668 1HE LYS 94 1HE LYS 94 -6.250 -11.644 -11.766 669 2HE LYS 94 2HE LYS 94 -6.665 -13.303 -12.148 670 1HZ LYS 94 1HZ LYS 94 -8.384 -12.631 -13.479 671 2HZ LYS 94 2HZ LYS 94 -8.771 -11.330 -12.579 672 H LYS 95 H LYS 95 -10.616 -8.688 -8.768 673 HA LYS 95 HA LYS 95 -9.334 -6.881 -10.672 674 1HB LYS 95 1HB LYS 95 -11.491 -8.622 -10.906 675 2HB LYS 95 2HB LYS 95 -12.253 -7.053 -10.745 676 1HG LYS 95 1HG LYS 95 -11.220 -6.192 -12.685 677 2HG LYS 95 2HG LYS 95 -9.887 -7.326 -12.608 678 1HD LYS 95 1HD LYS 95 -12.505 -8.670 -12.906 679 2HD LYS 95 2HD LYS 95 -12.159 -7.571 -14.227 680 1HE LYS 95 1HE LYS 95 -9.911 -8.677 -14.524 681 2HE LYS 95 2HE LYS 95 -10.318 -9.807 -13.248 682 1HZ LYS 95 1HZ LYS 95 -12.085 -9.502 -15.600 683 2HZ LYS 95 2HZ LYS 95 -10.809 -10.513 -15.643 684 H ASP 96 H ASP 96 -10.682 -6.985 -7.517 685 HA ASP 96 HA ASP 96 -11.100 -4.103 -7.667 686 1HB ASP 96 1HB ASP 96 -12.807 -6.228 -6.655 687 2HB ASP 96 2HB ASP 96 -12.358 -5.181 -5.324 688 H LEU 97 H LEU 97 -8.925 -6.397 -6.817 689 HA LEU 97 HA LEU 97 -8.156 -4.994 -4.354 690 1HB LEU 97 1HB LEU 97 -8.087 -7.938 -4.988 691 2HB LEU 97 2HB LEU 97 -7.085 -7.228 -3.737 692 HG LEU 97 HG LEU 97 -10.080 -7.507 -3.831 693 1HD1 LEU 97 2HD1 LEU 97 -8.175 -9.075 -2.716 694 2HD1 LEU 97 3HD1 LEU 97 -8.532 -7.983 -1.356 695 3HD1 LEU 97 1HD1 LEU 97 -9.841 -8.931 -2.103 696 1HD2 LEU 97 2HD2 LEU 97 -8.503 -5.389 -2.430 697 2HD2 LEU 97 3HD2 LEU 97 -10.125 -5.322 -3.160 698 3HD2 LEU 97 1HD2 LEU 97 -9.889 -6.123 -1.588 699 H THR 98 H THR 98 -7.110 -6.852 -7.269 700 HA THR 98 HA THR 98 -4.588 -5.331 -7.144 701 HB THR 98 HB THR 98 -3.438 -7.312 -7.883 702 HG1 THR 98 HG1 THR 98 -4.614 -8.604 -9.240 703 1HG2 THR 98 2HG2 THR 98 -5.705 -8.284 -6.063 704 2HG2 THR 98 3HG2 THR 98 -4.178 -9.147 -6.361 705 3HG2 THR 98 1HG2 THR 98 -4.166 -7.590 -5.500 706 H GLY 99 H GLY 99 -7.489 -5.270 -8.564 707 1HA GLY 99 1HA GLY 99 -7.070 -5.474 -11.306 708 2HA GLY 99 2HA GLY 99 -8.259 -4.460 -10.513 709 H CYS 100 H CYS 100 -6.647 -3.871 -12.939 710 HA CYS 100 HA CYS 100 -4.783 -1.864 -12.006 711 1HB CYS 100 1HB CYS 100 -5.312 -3.264 -14.562 712 2HB CYS 100 2HB CYS 100 -4.781 -1.600 -14.700 713 H LYS 101 H LYS 101 -7.874 -2.237 -13.852 714 HA LYS 101 HA LYS 101 -8.409 0.587 -13.273 715 1HB LYS 101 1HB LYS 101 -7.700 0.295 -15.643 716 2HB LYS 101 2HB LYS 101 -9.033 -0.816 -15.889 717 1HG LYS 101 1HG LYS 101 -10.502 1.168 -14.898 718 2HG LYS 101 2HG LYS 101 -9.128 2.161 -15.340 719 1HD LYS 101 1HD LYS 101 -9.478 0.598 -17.622 720 2HD LYS 101 2HD LYS 101 -11.128 0.831 -17.079 721 1HE LYS 101 1HE LYS 101 -9.293 3.232 -17.139 722 2HE LYS 101 2HE LYS 101 -9.917 2.628 -18.661 723 1HZ LYS 101 1HZ LYS 101 -11.301 4.346 -17.309 724 2HZ LYS 101 2HZ LYS 101 -12.090 3.120 -18.034 725 H LYS 102 H LYS 102 -10.516 1.056 -12.613 726 HA LYS 102 HA LYS 102 -12.538 0.681 -11.809 727 1HB LYS 102 1HB LYS 102 -12.414 -1.501 -13.875 728 2HB LYS 102 2HB LYS 102 -13.778 -1.415 -12.778 729 1HG LYS 102 1HG LYS 102 -13.120 1.237 -13.859 730 2HG LYS 102 2HG LYS 102 -13.414 0.086 -15.147 731 1HD LYS 102 1HD LYS 102 -15.632 0.443 -14.800 732 2HD LYS 102 2HD LYS 102 -15.461 -0.496 -13.330 733 1HE LYS 102 1HE LYS 102 -16.122 1.372 -12.210 734 2HE LYS 102 2HE LYS 102 -14.531 2.023 -12.548 735 1HZ LYS 102 1HZ LYS 102 -16.756 3.212 -13.371 736 2HZ LYS 102 2HZ LYS 102 -15.359 3.354 -14.195 737 H SER 103 H SER 103 -10.495 0.105 -10.132 738 HA SER 103 HA SER 103 -11.377 -2.400 -8.923 739 1HB SER 103 1HB SER 103 -8.912 -1.992 -7.798 740 2HB SER 103 2HB SER 103 -9.197 -3.004 -9.200 741 HG SER 103 HG SER 103 -8.555 -0.181 -9.336 742 H LYS 104 H LYS 104 -10.307 -2.184 -6.387 743 HA LYS 104 HA LYS 104 -11.973 -0.161 -5.256 744 1HB LYS 104 1HB LYS 104 -10.084 -2.179 -4.010 745 2HB LYS 104 2HB LYS 104 -11.140 -1.117 -3.101 746 1HG LYS 104 1HG LYS 104 -12.273 -2.884 -5.296 747 2HG LYS 104 2HG LYS 104 -11.969 -3.544 -3.702 748 1HD LYS 104 1HD LYS 104 -13.334 -1.005 -3.399 749 2HD LYS 104 2HD LYS 104 -14.213 -1.972 -4.566 750 1HE LYS 104 1HE LYS 104 -13.591 -3.835 -2.570 751 2HE LYS 104 2HE LYS 104 -13.897 -2.375 -1.651 752 1HZ LYS 104 1HZ LYS 104 -16.019 -2.169 -2.955 753 2HZ LYS 104 2HZ LYS 104 -15.749 -3.644 -3.591 754 H CYS 105 H CYS 105 -8.547 -0.556 -6.070 755 HA CYS 105 HA CYS 105 -7.772 1.677 -4.443 756 1HB CYS 105 1HB CYS 105 -6.184 0.134 -6.520 757 2HB CYS 105 2HB CYS 105 -5.534 1.309 -5.394 758 H HIS 106 H HIS 106 -7.548 0.910 -8.002 759 HA HIS 106 HA HIS 106 -7.730 3.764 -8.521 760 1HB HIS 106 1HB HIS 106 -6.979 1.432 -10.304 761 2HB HIS 106 2HB HIS 106 -7.054 3.101 -10.833 762 HD1 HIS 106 HD1 HIS 106 -5.496 4.740 -9.007 763 HD2 HIS 106 HD2 HIS 106 -4.418 0.747 -9.706 764 HE1 HIS 106 HE1 HIS 106 -3.037 4.540 -8.359 765 H GLU 107 H GLU 107 -9.486 4.724 -9.497 766 HA GLU 107 HA GLU 107 -11.625 2.877 -10.227 767 1HB GLU 107 1HB GLU 107 -13.231 4.582 -9.505 768 2HB GLU 107 2HB GLU 107 -12.129 4.215 -8.193 769 1HG GLU 107 1HG GLU 107 -11.327 6.345 -8.140 770 2HG GLU 107 2HG GLU 107 -11.062 6.370 -9.872 771 HHA HEC 108 HHA HEC 108 -0.769 6.693 7.481 772 HHB HEC 108 HHB HEC 108 -1.667 4.049 13.249 773 HHC HEC 108 HHC HEC 108 -2.547 -1.673 10.499 774 HHD HEC 108 HHD HEC 108 -1.116 0.906 4.746 775 1HMA HEC 108 1HMA HEC 108 -0.609 5.917 13.507 776 2HMA HEC 108 2HMA HEC 108 -0.228 7.467 12.719 777 3HMA HEC 108 3HMA HEC 108 -1.921 7.026 13.043 778 1HAA HEC 108 1HAA HEC 108 -0.509 8.557 10.790 779 2HAA HEC 108 2HAA HEC 108 0.605 7.973 9.530 780 1HBA HEC 108 1HBA HEC 108 -0.665 8.922 7.988 781 2HBA HEC 108 2HBA HEC 108 -2.030 7.882 8.461 782 1HMB HEC 108 1HMB HEC 108 -2.649 0.899 15.102 783 2HMB HEC 108 2HMB HEC 108 -1.749 2.410 14.830 784 3HMB HEC 108 3HMB HEC 108 -3.514 2.372 14.601 785 HAB HEC 108 HAB HEC 108 -3.245 -1.797 12.359 786 1HBB HEC 108 1HBB HEC 108 -4.947 -0.162 13.527 787 2HBB HEC 108 2HBB HEC 108 -4.811 -1.866 14.022 788 3HBB HEC 108 3HBB HEC 108 -4.018 -0.594 14.982 789 1HMC HEC 108 1HMC HEC 108 -1.666 -3.607 7.973 790 2HMC HEC 108 2HMC HEC 108 -2.986 -3.053 9.031 791 3HMC HEC 108 3HMC HEC 108 -3.292 -3.342 7.301 792 HAC HEC 108 HAC HEC 108 -1.965 -0.982 4.406 793 1HBC HEC 108 1HBC HEC 108 -2.420 -3.750 5.452 794 2HBC HEC 108 2HBC HEC 108 -3.743 -2.561 5.504 795 3HBC HEC 108 3HBC HEC 108 -2.988 -2.985 3.949 796 1HMD HEC 108 1HMD HEC 108 -1.385 3.192 2.967 797 2HMD HEC 108 2HMD HEC 108 0.215 3.970 3.028 798 3HMD HEC 108 3HMD HEC 108 0.049 2.245 3.434 799 1HAD HEC 108 1HAD HEC 108 -0.515 6.929 5.490 800 2HAD HEC 108 2HAD HEC 108 0.899 6.151 4.739 801 1HBD HEC 108 1HBD HEC 108 -1.383 5.429 3.208 802 2HBD HEC 108 2HBD HEC 108 -1.456 7.183 3.505 803 HHA HEC 109 HHA HEC 109 11.674 -2.211 1.673 804 HHB HEC 109 HHB HEC 109 5.318 -1.456 1.293 805 HHC HEC 109 HHC HEC 109 5.650 3.453 5.401 806 HHD HEC 109 HHD HEC 109 12.122 3.322 4.882 807 1HMA HEC 109 1HMA HEC 109 6.354 -4.210 0.877 808 2HMA HEC 109 2HMA HEC 109 5.975 -2.878 -0.241 809 3HMA HEC 109 3HMA HEC 109 7.274 -4.028 -0.636 810 1HAA HEC 109 1HAA HEC 109 10.916 -3.864 0.791 811 2HAA HEC 109 2HAA HEC 109 9.449 -4.769 0.349 812 1HBA HEC 109 1HBA HEC 109 9.304 -3.452 -1.739 813 2HBA HEC 109 2HBA HEC 109 10.826 -2.639 -1.302 814 1HMB HEC 109 1HMB HEC 109 3.338 -0.524 1.484 815 2HMB HEC 109 2HMB HEC 109 3.016 -1.160 3.115 816 3HMB HEC 109 3HMB HEC 109 2.336 0.409 2.622 817 HAB HEC 109 HAB HEC 109 3.745 2.860 5.334 818 1HBB HEC 109 1HBB HEC 109 2.364 0.336 4.703 819 2HBB HEC 109 2HBB HEC 109 2.426 1.276 6.214 820 3HBB HEC 109 3HBB HEC 109 1.301 1.746 4.918 821 1HMC HEC 109 1HMC HEC 109 8.084 6.158 6.752 822 2HMC HEC 109 2HMC HEC 109 6.623 5.519 5.961 823 3HMC HEC 109 3HMC HEC 109 7.162 4.842 7.516 824 HAC HEC 109 HAC HEC 109 11.680 4.873 5.988 825 1HBC HEC 109 1HBC HEC 109 9.736 5.782 8.115 826 2HBC HEC 109 2HBC HEC 109 10.697 4.288 8.229 827 3HBC HEC 109 3HBC HEC 109 11.514 5.866 8.135 828 1HMD HEC 109 1HMD HEC 109 14.379 1.638 5.070 829 2HMD HEC 109 2HMD HEC 109 15.068 1.435 3.441 830 3HMD HEC 109 3HMD HEC 109 14.098 2.877 3.824 831 1HAD HEC 109 1HAD HEC 109 13.637 -1.919 2.164 832 2HAD HEC 109 2HAD HEC 109 14.346 -0.487 1.379 833 1HBD HEC 109 1HBD HEC 109 14.993 -0.464 4.180 834 2HBD HEC 109 2HBD HEC 109 15.419 -2.040 3.469 835 HHA HEC 110 HHA HEC 110 -10.153 -4.806 0.910 836 HHB HEC 110 HHB HEC 110 -6.406 0.080 -0.877 837 HHC HEC 110 HHC HEC 110 -1.399 -2.749 1.951 838 HHD HEC 110 HHD HEC 110 -5.035 -7.876 3.252 839 1HMA HEC 110 1HMA HEC 110 -9.407 -0.406 -2.350 840 2HMA HEC 110 2HMA HEC 110 -9.921 0.336 -0.816 841 3HMA HEC 110 3HMA HEC 110 -8.246 0.536 -1.384 842 1HAA HEC 110 1HAA HEC 110 -11.257 -2.013 -1.335 843 2HAA HEC 110 2HAA HEC 110 -11.178 -3.648 -0.637 844 1HBA HEC 110 1HBA HEC 110 -11.186 -1.821 1.529 845 2HBA HEC 110 2HBA HEC 110 -12.450 -1.304 0.388 846 1HMB HEC 110 1HMB HEC 110 -3.506 0.876 -1.886 847 2HMB HEC 110 2HMB HEC 110 -4.870 1.400 -0.869 848 3HMB HEC 110 3HMB HEC 110 -3.198 1.731 -0.356 849 HAB HEC 110 HAB HEC 110 -0.759 -1.029 1.179 850 1HBB HEC 110 1HBB HEC 110 -1.168 1.669 0.010 851 2HBB HEC 110 2HBB HEC 110 -2.006 1.310 1.538 852 3HBB HEC 110 3HBB HEC 110 -0.236 1.156 1.436 853 1HMC HEC 110 1HMC HEC 110 0.036 -6.020 2.213 854 2HMC HEC 110 2HMC HEC 110 -0.152 -4.261 2.408 855 3HMC HEC 110 3HMC HEC 110 -0.217 -5.327 3.832 856 HAC HEC 110 HAC HEC 110 -3.096 -8.034 4.289 857 1HBC HEC 110 1HBC HEC 110 -0.844 -8.564 4.899 858 2HBC HEC 110 2HBC HEC 110 -0.193 -7.433 3.689 859 3HBC HEC 110 3HBC HEC 110 -1.082 -6.812 5.100 860 1HMD HEC 110 1HMD HEC 110 -8.528 -9.304 3.148 861 2HMD HEC 110 2HMD HEC 110 -6.754 -9.321 3.002 862 3HMD HEC 110 3HMD HEC 110 -7.522 -8.598 4.436 863 1HAD HEC 110 1HAD HEC 110 -10.247 -8.168 2.733 864 2HAD HEC 110 2HAD HEC 110 -10.782 -6.471 2.662 865 1HBD HEC 110 1HBD HEC 110 -11.608 -6.815 0.640 866 2HBD HEC 110 2HBD HEC 110 -9.995 -7.268 0.037 867 HHA HEC 111 HHA HEC 111 0.365 5.547 -7.674 868 HHB HEC 111 HHB HEC 111 -0.592 2.022 -12.944 869 HHC HEC 111 HHC HEC 111 -3.262 -2.596 -9.393 870 HHD HEC 111 HHD HEC 111 -3.049 1.343 -4.250 871 1HMA HEC 111 1HMA HEC 111 0.971 5.483 -12.903 872 2HMA HEC 111 2HMA HEC 111 1.596 3.826 -13.077 873 3HMA HEC 111 3HMA HEC 111 -0.091 4.190 -13.510 874 1HAA HEC 111 1HAA HEC 111 0.553 6.953 -10.740 875 2HAA HEC 111 2HAA HEC 111 1.213 6.493 -9.152 876 1HBA HEC 111 1HBA HEC 111 3.270 5.991 -9.997 877 2HBA HEC 111 2HBA HEC 111 2.632 5.524 -11.591 878 1HMB HEC 111 1HMB HEC 111 -0.860 -1.602 -14.015 879 2HMB HEC 111 2HMB HEC 111 -1.826 -0.157 -14.399 880 3HMB HEC 111 3HMB HEC 111 -0.133 0.017 -13.877 881 HAB HEC 111 HAB HEC 111 -3.374 -3.140 -11.474 882 1HBB HEC 111 1HBB HEC 111 -0.951 -3.677 -10.742 883 2HBB HEC 111 2HBB HEC 111 -1.850 -4.868 -11.712 884 3HBB HEC 111 3HBB HEC 111 -0.630 -3.829 -12.486 885 1HMC HEC 111 1HMC HEC 111 -4.507 -3.338 -7.937 886 2HMC HEC 111 2HMC HEC 111 -4.230 -3.644 -6.205 887 3HMC HEC 111 3HMC HEC 111 -5.696 -2.783 -6.734 888 HAC HEC 111 HAC HEC 111 -3.910 -0.366 -3.659 889 1HBC HEC 111 1HBC HEC 111 -5.075 -3.064 -4.122 890 2HBC HEC 111 2HBC HEC 111 -3.307 -2.894 -4.245 891 3HBC HEC 111 3HBC HEC 111 -4.144 -2.428 -2.744 892 1HMD HEC 111 1HMD HEC 111 -2.343 4.223 -2.981 893 2HMD HEC 111 2HMD HEC 111 -2.012 2.475 -2.938 894 3HMD HEC 111 3HMD HEC 111 -0.683 3.638 -2.718 895 1HAD HEC 111 1HAD HEC 111 0.433 5.382 -3.950 896 2HAD HEC 111 2HAD HEC 111 0.876 5.792 -5.624 897 1HBD HEC 111 1HBD HEC 111 -1.240 7.034 -5.859 898 2HBD HEC 111 2HBD HEC 111 -1.629 6.660 -4.163 No H/Q in entry = 898 Start of MODEL 12 1 1H ALA 1 1H ALA 1 -1.838 2.970 23.148 2 2H ALA 1 2H ALA 1 -0.523 1.972 23.286 3 HA ALA 1 HA ALA 1 0.462 3.784 21.696 4 1HB ALA 1 3HB ALA 1 0.409 1.240 21.534 5 2HB ALA 1 1HB ALA 1 -1.156 1.412 20.705 6 3HB ALA 1 2HB ALA 1 0.313 2.114 19.986 7 HA PRO 2 HA PRO 2 -2.693 6.112 19.875 8 1HB PRO 2 1HB PRO 2 -1.655 6.721 17.422 9 2HB PRO 2 2HB PRO 2 -1.190 7.552 18.893 10 1HG PRO 2 1HG PRO 2 0.317 5.530 17.351 11 2HG PRO 2 2HG PRO 2 0.911 6.664 18.547 12 1HD PRO 2 1HD PRO 2 0.443 3.859 18.924 13 2HD PRO 2 2HD PRO 2 0.925 5.016 20.150 14 H LYS 3 H LYS 3 -4.625 6.040 18.782 15 HA LYS 3 HA LYS 3 -5.135 3.457 17.653 16 1HB LYS 3 1HB LYS 3 -7.420 4.133 17.621 17 2HB LYS 3 2HB LYS 3 -6.729 4.698 19.128 18 1HG LYS 3 1HG LYS 3 -6.443 6.972 18.187 19 2HG LYS 3 2HG LYS 3 -7.023 6.426 16.626 20 1HD LYS 3 1HD LYS 3 -9.212 5.756 17.768 21 2HD LYS 3 2HD LYS 3 -8.619 6.524 19.227 22 1HE LYS 3 1HE LYS 3 -8.206 8.607 17.609 23 2HE LYS 3 2HE LYS 3 -9.383 7.802 16.592 24 1HZ LYS 3 1HZ LYS 3 -10.534 9.272 18.089 25 2HZ LYS 3 2HZ LYS 3 -10.885 7.757 18.570 26 H ALA 4 H ALA 4 -6.306 3.287 15.478 27 HA ALA 4 HA ALA 4 -4.595 4.305 13.497 28 1HB ALA 4 2HB ALA 4 -6.654 2.360 13.767 29 2HB ALA 4 3HB ALA 4 -7.137 3.440 12.438 30 3HB ALA 4 1HB ALA 4 -5.562 2.612 12.384 31 HA PRO 5 HA PRO 5 -6.491 8.072 12.544 32 1HB PRO 5 1HB PRO 5 -5.856 8.385 9.905 33 2HB PRO 5 2HB PRO 5 -4.731 8.716 11.207 34 1HG PRO 5 1HG PRO 5 -4.800 6.410 9.358 35 2HG PRO 5 2HG PRO 5 -3.478 6.974 10.360 36 1HD PRO 5 1HD PRO 5 -5.173 4.717 10.867 37 2HD PRO 5 2HD PRO 5 -3.927 5.350 11.924 38 H ALA 6 H ALA 6 -8.160 9.276 11.358 39 HA ALA 6 HA ALA 6 -10.453 7.747 11.183 40 1HB ALA 6 2HB ALA 6 -10.211 10.260 11.458 41 2HB ALA 6 3HB ALA 6 -9.903 10.348 9.707 42 3HB ALA 6 1HB ALA 6 -11.466 9.744 10.306 43 H ASP 7 H ASP 7 -11.751 8.275 8.784 44 HA ASP 7 HA ASP 7 -10.238 6.523 7.039 45 1HB ASP 7 1HB ASP 7 -12.593 6.492 5.843 46 2HB ASP 7 2HB ASP 7 -12.355 5.571 7.314 47 H GLY 8 H GLY 8 -10.780 7.005 4.545 48 1HA GLY 8 1HA GLY 8 -11.086 8.502 2.825 49 2HA GLY 8 2HA GLY 8 -11.218 9.823 3.968 50 H LEU 9 H LEU 9 -8.568 7.742 4.722 51 HA LEU 9 HA LEU 9 -6.713 9.801 4.048 52 1HB LEU 9 1HB LEU 9 -6.403 8.611 6.073 53 2HB LEU 9 2HB LEU 9 -6.472 7.057 5.266 54 HG LEU 9 HG LEU 9 -4.188 7.933 6.043 55 1HD1 LEU 9 3HD1 LEU 9 -4.895 6.135 4.158 56 2HD1 LEU 9 1HD1 LEU 9 -3.927 7.257 3.171 57 3HD1 LEU 9 2HD1 LEU 9 -3.211 6.491 4.610 58 1HD2 LEU 9 3HD2 LEU 9 -4.604 9.680 3.607 59 2HD2 LEU 9 1HD2 LEU 9 -4.261 10.190 5.277 60 3HD2 LEU 9 2HD2 LEU 9 -3.014 9.343 4.332 61 H LYS 10 H LYS 10 -6.566 10.134 1.839 62 HA LYS 10 HA LYS 10 -5.894 7.760 0.250 63 1HB LYS 10 1HB LYS 10 -6.764 8.888 -1.655 64 2HB LYS 10 2HB LYS 10 -7.952 9.045 -0.377 65 1HG LYS 10 1HG LYS 10 -5.940 11.237 -0.436 66 2HG LYS 10 2HG LYS 10 -6.942 11.151 -1.870 67 1HD LYS 10 1HD LYS 10 -8.516 10.803 0.601 68 2HD LYS 10 2HD LYS 10 -7.651 12.326 0.582 69 1HE LYS 10 1HE LYS 10 -9.462 13.054 -0.629 70 2HE LYS 10 2HE LYS 10 -8.612 12.328 -1.979 71 1HZ LYS 10 1HZ LYS 10 -10.022 10.516 -1.974 72 2HZ LYS 10 2HZ LYS 10 -10.359 10.593 -0.383 73 H MET 11 H MET 11 -4.226 8.096 -1.477 74 HA MET 11 HA MET 11 -2.202 9.927 -0.444 75 1HB MET 11 1HB MET 11 -1.692 7.519 -2.252 76 2HB MET 11 2HB MET 11 -0.548 8.328 -1.200 77 1HG MET 11 1HG MET 11 -1.073 6.925 0.506 78 2HG MET 11 2HG MET 11 -2.753 7.418 0.432 79 1HE MET 11 1HE MET 11 -0.443 4.844 0.424 80 2HE MET 11 2HE MET 11 -1.058 3.476 -0.534 81 3HE MET 11 3HE MET 11 -0.127 4.769 -1.326 82 H GLU 12 H GLU 12 -1.355 11.497 -1.792 83 HA GLU 12 HA GLU 12 -2.066 11.256 -4.607 84 1HB GLU 12 1HB GLU 12 -3.615 12.878 -3.800 85 2HB GLU 12 2HB GLU 12 -2.426 13.633 -2.758 86 1HG GLU 12 1HG GLU 12 -1.552 13.653 -5.566 87 2HG GLU 12 2HG GLU 12 -3.113 14.427 -5.378 88 H ALA 13 H ALA 13 0.263 10.275 -4.314 89 HA ALA 13 HA ALA 13 2.233 12.449 -4.307 90 1HB ALA 13 3HB ALA 13 2.469 10.560 -2.656 91 2HB ALA 13 1HB ALA 13 2.664 9.449 -4.033 92 3HB ALA 13 2HB ALA 13 3.858 10.740 -3.755 93 H THR 14 H THR 14 0.453 10.236 -6.293 94 HA THR 14 HA THR 14 2.265 10.860 -8.526 95 HB THR 14 HB THR 14 2.122 8.592 -9.286 96 HG1 THR 14 HG1 THR 14 -0.049 8.590 -7.319 97 1HG2 THR 14 1HG2 THR 14 3.030 9.024 -6.655 98 2HG2 THR 14 2HG2 THR 14 1.888 7.668 -6.492 99 3HG2 THR 14 3HG2 THR 14 3.272 7.539 -7.605 100 H LYS 15 H LYS 15 0.976 10.222 -10.692 101 HA LYS 15 HA LYS 15 -1.183 12.059 -10.719 102 1HB LYS 15 1HB LYS 15 0.489 11.652 -12.568 103 2HB LYS 15 2HB LYS 15 -0.325 10.137 -12.898 104 1HG LYS 15 1HG LYS 15 -2.040 11.176 -13.977 105 2HG LYS 15 2HG LYS 15 -2.259 12.332 -12.679 106 1HD LYS 15 1HD LYS 15 0.145 13.175 -13.818 107 2HD LYS 15 2HD LYS 15 -0.750 12.612 -15.216 108 1HE LYS 15 1HE LYS 15 -2.121 14.403 -13.187 109 2HE LYS 15 2HE LYS 15 -1.046 15.110 -14.377 110 1HZ LYS 15 1HZ LYS 15 -2.659 13.387 -15.805 111 2HZ LYS 15 2HZ LYS 15 -3.683 14.109 -14.764 112 H GLN 16 H GLN 16 -0.955 8.890 -9.607 113 HA GLN 16 HA GLN 16 -3.812 8.558 -10.069 114 1HB GLN 16 1HB GLN 16 -1.873 6.220 -9.940 115 2HB GLN 16 2HB GLN 16 -3.554 6.193 -10.436 116 1HG GLN 16 1HG GLN 16 -2.080 8.118 -12.059 117 2HG GLN 16 2HG GLN 16 -1.263 6.568 -12.093 118 1HE2 GLN 16 2HE2 GLN 16 -4.229 4.788 -13.313 119 2HE2 GLN 16 1HE2 GLN 16 -3.095 4.699 -12.007 120 HA PRO 17 HA PRO 17 -3.108 8.471 -5.651 121 1HB PRO 17 1HB PRO 17 -5.404 9.772 -4.941 122 2HB PRO 17 2HB PRO 17 -3.889 10.599 -5.243 123 1HG PRO 17 1HG PRO 17 -6.294 10.453 -6.955 124 2HG PRO 17 2HG PRO 17 -4.962 11.590 -7.028 125 1HD PRO 17 1HD PRO 17 -5.409 9.357 -8.771 126 2HD PRO 17 2HD PRO 17 -4.018 10.424 -8.770 127 H VAL 18 H VAL 18 -4.576 7.751 -3.728 128 HA VAL 18 HA VAL 18 -6.629 5.945 -4.611 129 HB VAL 18 HB VAL 18 -4.015 4.943 -3.474 130 1HG1 VAL 18 1HG1 VAL 18 -6.049 3.940 -2.363 131 2HG1 VAL 18 2HG1 VAL 18 -6.518 3.302 -3.957 132 3HG1 VAL 18 3HG1 VAL 18 -4.994 2.779 -3.202 133 1HG2 VAL 18 1HG2 VAL 18 -5.486 4.487 -6.081 134 2HG2 VAL 18 2HG2 VAL 18 -3.843 5.124 -5.832 135 3HG2 VAL 18 3HG2 VAL 18 -4.192 3.410 -5.504 136 H VAL 19 H VAL 19 -8.010 5.318 -2.875 137 HA VAL 19 HA VAL 19 -7.491 6.862 -0.436 138 HB VAL 19 HB VAL 19 -10.035 5.888 -1.741 139 1HG1 VAL 19 1HG1 VAL 19 -9.613 7.205 0.957 140 2HG1 VAL 19 2HG1 VAL 19 -11.184 7.149 0.121 141 3HG1 VAL 19 3HG1 VAL 19 -10.382 5.637 0.612 142 1HG2 VAL 19 2HG2 VAL 19 -8.536 8.175 -2.204 143 2HG2 VAL 19 3HG2 VAL 19 -10.255 7.945 -2.604 144 3HG2 VAL 19 1HG2 VAL 19 -9.795 8.728 -1.073 145 H PHE 20 H PHE 20 -6.761 5.708 1.266 146 HA PHE 20 HA PHE 20 -7.313 2.836 1.282 147 1HB PHE 20 1HB PHE 20 -4.959 3.864 1.457 148 2HB PHE 20 2HB PHE 20 -5.466 4.679 2.924 149 HD1 PHE 20 HD1 PHE 20 -4.904 1.315 1.428 150 HD2 PHE 20 HD2 PHE 20 -5.391 3.578 5.026 151 HE1 PHE 20 HE1 PHE 20 -4.198 -0.704 2.801 152 HE2 PHE 20 HE2 PHE 20 -4.683 1.550 6.388 153 HZ PHE 20 HZ PHE 20 -4.139 -0.488 5.333 154 H ASN 21 H ASN 21 -7.470 1.926 3.664 155 HA ASN 21 HA ASN 21 -8.909 3.727 5.376 156 1HB ASN 21 1HB ASN 21 -10.139 1.174 4.215 157 2HB ASN 21 2HB ASN 21 -10.791 1.987 5.624 158 1HD2 ASN 21 2HD2 ASN 21 -12.086 4.811 3.922 159 2HD2 ASN 21 1HD2 ASN 21 -11.454 4.216 5.422 160 H HIS 22 H HIS 22 -8.855 2.955 7.605 161 HA HIS 22 HA HIS 22 -7.030 0.710 7.964 162 1HB HIS 22 1HB HIS 22 -7.693 3.168 9.545 163 2HB HIS 22 2HB HIS 22 -7.113 1.753 10.401 164 HD1 HIS 22 HD1 HIS 22 -6.015 4.435 8.011 165 HD2 HIS 22 HD2 HIS 22 -4.400 1.058 9.904 166 HE1 HIS 22 HE1 HIS 22 -3.487 4.575 7.689 167 H SER 23 H SER 23 -10.356 1.727 8.312 168 HA SER 23 HA SER 23 -10.979 -0.114 10.365 169 1HB SER 23 1HB SER 23 -12.219 2.094 9.370 170 2HB SER 23 2HB SER 23 -13.116 0.862 8.505 171 HG SER 23 HG SER 23 -13.251 1.586 11.174 172 H THR 24 H THR 24 -10.009 -0.566 7.203 173 HA THR 24 HA THR 24 -11.794 -2.864 6.783 174 HB THR 24 HB THR 24 -10.024 -1.222 4.897 175 HG1 THR 24 HG1 THR 24 -12.216 -0.500 5.855 176 1HG2 THR 24 3HG2 THR 24 -11.465 -3.832 4.581 177 2HG2 THR 24 1HG2 THR 24 -11.786 -2.617 3.320 178 3HG2 THR 24 2HG2 THR 24 -10.120 -3.162 3.627 179 H HIS 25 H HIS 25 -8.414 -1.833 7.236 180 HA HIS 25 HA HIS 25 -7.611 -4.622 6.950 181 1HB HIS 25 1HB HIS 25 -5.947 -2.094 7.130 182 2HB HIS 25 2HB HIS 25 -5.309 -3.714 6.933 183 HD1 HIS 25 HD1 HIS 25 -7.512 -1.202 5.081 184 HD2 HIS 25 HD2 HIS 25 -5.167 -4.597 4.323 185 HE1 HIS 25 HE1 HIS 25 -7.410 -1.449 2.543 186 H LYS 26 H LYS 26 -9.259 -3.826 9.196 187 HA LYS 26 HA LYS 26 -7.650 -3.288 11.448 188 1HB LYS 26 1HB LYS 26 -10.400 -4.560 11.331 189 2HB LYS 26 2HB LYS 26 -9.657 -3.800 12.723 190 1HG LYS 26 1HG LYS 26 -9.567 -1.625 11.503 191 2HG LYS 26 2HG LYS 26 -10.277 -2.379 10.089 192 1HD LYS 26 1HD LYS 26 -12.209 -1.532 11.053 193 2HD LYS 26 2HD LYS 26 -12.182 -3.100 11.834 194 1HE LYS 26 1HE LYS 26 -10.732 -0.772 13.126 195 2HE LYS 26 2HE LYS 26 -12.472 -0.898 13.288 196 1HZ LYS 26 1HZ LYS 26 -11.650 -3.412 13.875 197 2HZ LYS 26 2HZ LYS 26 -10.431 -2.533 14.503 198 H SER 27 H SER 27 -8.919 -6.306 9.929 199 HA SER 27 HA SER 27 -7.943 -7.969 11.944 200 1HB SER 27 1HB SER 27 -8.238 -9.777 10.171 201 2HB SER 27 2HB SER 27 -9.664 -8.815 10.508 202 HG SER 27 HG SER 27 -9.335 -9.066 8.219 203 H VAL 28 H VAL 28 -6.383 -6.155 9.457 204 HA VAL 28 HA VAL 28 -4.171 -7.989 9.156 205 HB VAL 28 HB VAL 28 -4.542 -5.159 8.159 206 1HG1 VAL 28 3HG1 VAL 28 -2.196 -6.231 8.243 207 2HG1 VAL 28 1HG1 VAL 28 -2.786 -7.294 6.943 208 3HG1 VAL 28 2HG1 VAL 28 -2.741 -5.531 6.700 209 1HG2 VAL 28 3HG2 VAL 28 -5.508 -7.799 7.115 210 2HG2 VAL 28 1HG2 VAL 28 -6.305 -6.208 7.112 211 3HG2 VAL 28 2HG2 VAL 28 -4.994 -6.548 5.957 212 H LYS 29 H LYS 29 -2.104 -7.739 10.044 213 HA LYS 29 HA LYS 29 -2.036 -6.325 12.508 214 1HB LYS 29 1HB LYS 29 -0.574 -8.420 11.210 215 2HB LYS 29 2HB LYS 29 0.565 -7.190 11.719 216 1HG LYS 29 1HG LYS 29 0.419 -8.393 13.698 217 2HG LYS 29 2HG LYS 29 -0.875 -7.244 13.977 218 1HD LYS 29 1HD LYS 29 -2.432 -8.895 14.012 219 2HD LYS 29 2HD LYS 29 -1.906 -9.499 12.453 220 1HE LYS 29 1HE LYS 29 -0.698 -11.199 13.389 221 2HE LYS 29 2HE LYS 29 0.022 -10.146 14.591 222 1HZ LYS 29 1HZ LYS 29 -1.871 -11.996 15.131 223 2HZ LYS 29 2HZ LYS 29 -1.549 -10.726 16.097 224 H CYS 30 H CYS 30 -0.987 -4.413 13.055 225 HA CYS 30 HA CYS 30 -0.774 -2.503 11.051 226 1HB CYS 30 1HB CYS 30 0.629 -2.286 13.704 227 2HB CYS 30 2HB CYS 30 -0.064 -1.011 12.721 228 H GLY 31 H GLY 31 1.540 -4.777 12.557 229 1HA GLY 31 1HA GLY 31 3.887 -3.555 11.459 230 2HA GLY 31 2HA GLY 31 3.754 -5.122 12.233 231 H ASP 32 H ASP 32 1.294 -5.135 9.983 232 HA ASP 32 HA ASP 32 2.828 -6.794 8.258 233 1HB ASP 32 1HB ASP 32 0.418 -7.215 8.947 234 2HB ASP 32 2HB ASP 32 -0.057 -5.829 7.986 235 H CYS 33 H CYS 33 1.422 -3.510 8.326 236 HA CYS 33 HA CYS 33 2.240 -3.115 5.549 237 1HB CYS 33 1HB CYS 33 0.105 -1.933 7.257 238 2HB CYS 33 2HB CYS 33 0.895 -0.845 6.132 239 H HIS 34 H HIS 34 2.223 -1.513 8.821 240 HA HIS 34 HA HIS 34 4.289 0.283 8.035 241 1HB HIS 34 1HB HIS 34 3.087 -0.318 10.752 242 2HB HIS 34 2HB HIS 34 4.192 0.998 10.407 243 HD1 HIS 34 HD1 HIS 34 3.276 2.943 8.807 244 HD2 HIS 34 HD2 HIS 34 0.421 0.157 10.104 245 HE1 HIS 34 HE1 HIS 34 0.995 3.993 8.354 246 H HIS 35 H HIS 35 5.540 -1.823 7.266 247 HA HIS 35 HA HIS 35 6.671 -3.580 8.987 248 1HB HIS 35 1HB HIS 35 8.418 -3.871 7.348 249 2HB HIS 35 2HB HIS 35 6.878 -3.648 6.543 250 HD1 HIS 35 HD1 HIS 35 9.989 -1.607 7.445 251 HD2 HIS 35 HD2 HIS 35 6.865 -1.662 4.646 252 HE1 HIS 35 HE1 HIS 35 10.524 0.214 5.740 253 HA PRO 36 HA PRO 36 9.354 -1.303 11.502 254 1HB PRO 36 1HB PRO 36 11.106 -3.241 12.306 255 2HB PRO 36 2HB PRO 36 9.518 -3.030 13.017 256 1HG PRO 36 1HG PRO 36 10.441 -5.105 11.124 257 2HG PRO 36 2HG PRO 36 9.027 -5.114 12.158 258 1HD PRO 36 1HD PRO 36 9.084 -4.625 9.333 259 2HD PRO 36 2HD PRO 36 7.688 -4.519 10.386 260 H VAL 37 H VAL 37 10.869 0.206 11.189 261 HA VAL 37 HA VAL 37 12.886 -0.557 9.190 262 HB VAL 37 HB VAL 37 11.506 2.064 9.765 263 1HG1 VAL 37 1HG1 VAL 37 14.187 1.561 8.644 264 2HG1 VAL 37 2HG1 VAL 37 13.143 2.582 7.626 265 3HG1 VAL 37 3HG1 VAL 37 13.479 3.052 9.309 266 1HG2 VAL 37 3HG2 VAL 37 11.024 -0.034 7.921 267 2HG2 VAL 37 1HG2 VAL 37 10.242 1.563 7.998 268 3HG2 VAL 37 2HG2 VAL 37 11.688 1.328 6.987 269 H ASN 38 H ASN 38 14.812 -0.968 10.135 270 HA ASN 38 HA ASN 38 16.663 -0.447 11.219 271 1HB ASN 38 1HB ASN 38 15.533 2.012 11.389 272 2HB ASN 38 2HB ASN 38 15.372 1.561 13.075 273 1HD2 ASN 38 2HD2 ASN 38 18.537 3.232 13.134 274 2HD2 ASN 38 1HD2 ASN 38 16.826 3.497 13.159 275 H GLY 39 H GLY 39 13.646 -1.443 12.341 276 1HA GLY 39 1HA GLY 39 13.500 -3.251 13.865 277 2HA GLY 39 2HA GLY 39 14.817 -2.570 14.799 278 H LYS 40 H LYS 40 12.975 0.062 13.833 279 HA LYS 40 HA LYS 40 11.481 -0.018 16.357 280 1HB LYS 40 1HB LYS 40 11.773 2.279 16.560 281 2HB LYS 40 2HB LYS 40 13.316 1.738 15.930 282 1HG LYS 40 1HG LYS 40 12.476 2.290 13.588 283 2HG LYS 40 2HG LYS 40 11.037 2.975 14.317 284 1HD LYS 40 1HD LYS 40 13.025 4.233 15.778 285 2HD LYS 40 2HD LYS 40 13.809 4.060 14.219 286 1HE LYS 40 1HE LYS 40 12.701 6.016 13.737 287 2HE LYS 40 2HE LYS 40 11.364 4.941 13.380 288 1HZ LYS 40 1HZ LYS 40 11.828 6.256 16.004 289 2HZ LYS 40 2HZ LYS 40 10.685 6.683 14.926 290 H GLU 41 H GLU 41 9.265 0.261 16.370 291 HA GLU 41 HA GLU 41 8.085 0.344 13.709 292 1HB GLU 41 1HB GLU 41 7.329 -1.008 16.287 293 2HB GLU 41 2HB GLU 41 6.027 -0.505 15.228 294 1HG GLU 41 1HG GLU 41 6.383 -2.345 13.957 295 2HG GLU 41 2HG GLU 41 7.960 -1.717 13.524 296 H ASP 42 H ASP 42 6.304 1.765 13.271 297 HA ASP 42 HA ASP 42 5.262 3.397 15.308 298 1HB ASP 42 1HB ASP 42 7.574 4.429 14.814 299 2HB ASP 42 2HB ASP 42 6.970 4.813 13.215 300 H TYR 43 H TYR 43 3.764 5.158 14.196 301 HA TYR 43 HA TYR 43 2.708 3.958 11.737 302 1HB TYR 43 1HB TYR 43 1.575 5.939 13.810 303 2HB TYR 43 2HB TYR 43 0.645 5.224 12.509 304 HD1 TYR 43 HD1 TYR 43 2.171 2.428 12.963 305 HD2 TYR 43 HD2 TYR 43 -0.074 5.094 15.444 306 HE1 TYR 43 HE1 TYR 43 1.537 0.491 14.484 307 HE2 TYR 43 HE2 TYR 43 -0.700 3.149 16.956 308 HH TYR 43 HH TYR 43 0.121 0.992 17.544 309 H ARG 44 H ARG 44 3.941 4.951 10.111 310 HA ARG 44 HA ARG 44 3.587 7.839 10.028 311 1HB ARG 44 1HB ARG 44 6.044 6.320 10.024 312 2HB ARG 44 2HB ARG 44 5.871 7.043 8.437 313 1HG ARG 44 1HG ARG 44 5.701 9.274 9.361 314 2HG ARG 44 2HG ARG 44 5.482 8.662 10.988 315 1HD ARG 44 1HD ARG 44 7.997 7.809 9.589 316 2HD ARG 44 2HD ARG 44 7.893 9.504 10.023 317 HE ARG 44 HE ARG 44 7.148 7.651 12.187 318 1HH1 ARG 44 2HH2 ARG 44 9.775 9.494 10.684 319 2HH1 ARG 44 1HH2 ARG 44 10.764 9.482 12.106 320 HH2 ARG 44 HH1 ARG 44 9.967 8.384 14.081 321 H LYS 45 H LYS 45 4.163 8.558 7.530 322 HA LYS 45 HA LYS 45 2.308 6.996 5.942 323 1HB LYS 45 1HB LYS 45 3.596 9.708 5.529 324 2HB LYS 45 2HB LYS 45 2.520 8.950 4.372 325 1HG LYS 45 1HG LYS 45 0.933 10.134 5.564 326 2HG LYS 45 2HG LYS 45 0.950 8.686 6.550 327 1HD LYS 45 1HD LYS 45 1.855 9.779 8.337 328 2HD LYS 45 2HD LYS 45 3.070 10.567 7.350 329 1HE LYS 45 1HE LYS 45 1.222 12.159 6.535 330 2HE LYS 45 2HE LYS 45 0.180 11.459 7.758 331 1HZ LYS 45 1HZ LYS 45 1.758 13.535 8.253 332 2HZ LYS 45 2HZ LYS 45 1.349 12.478 9.422 333 H CYS 46 H CYS 46 2.845 5.762 4.172 334 HA CYS 46 HA CYS 46 5.418 4.781 3.992 335 1HB CYS 46 1HB CYS 46 3.535 4.738 1.653 336 2HB CYS 46 2HB CYS 46 4.688 3.523 2.168 337 H GLY 47 H GLY 47 3.638 7.226 1.979 338 1HA GLY 47 1HA GLY 47 5.936 7.800 0.352 339 2HA GLY 47 2HA GLY 47 4.389 8.622 0.354 340 H THR 48 H THR 48 6.908 8.054 2.920 341 HA THR 48 HA THR 48 6.688 10.881 3.626 342 HB THR 48 HB THR 48 7.641 8.324 4.951 343 HG1 THR 48 HG1 THR 48 5.984 10.681 5.507 344 1HG2 THR 48 3HG2 THR 48 9.428 10.106 5.351 345 2HG2 THR 48 1HG2 THR 48 8.146 11.153 6.007 346 3HG2 THR 48 2HG2 THR 48 8.549 9.622 6.821 347 H ALA 49 H ALA 49 8.211 12.389 3.242 348 HA ALA 49 HA ALA 49 10.148 11.949 1.328 349 1HB ALA 49 3HB ALA 49 9.068 14.124 2.317 350 2HB ALA 49 1HB ALA 49 10.432 14.069 3.460 351 3HB ALA 49 2HB ALA 49 10.740 14.180 1.710 352 H GLY 50 H GLY 50 11.682 10.364 1.533 353 1HA GLY 50 1HA GLY 50 13.966 10.188 2.422 354 2HA GLY 50 2HA GLY 50 13.285 10.402 4.022 355 H CYS 51 H CYS 51 10.868 8.724 2.594 356 HA CYS 51 HA CYS 51 12.062 6.170 3.378 357 1HB CYS 51 1HB CYS 51 9.183 7.120 3.441 358 2HB CYS 51 2HB CYS 51 9.647 5.445 3.672 359 H HIS 52 H HIS 52 9.002 6.582 1.592 360 HA HIS 52 HA HIS 52 10.287 5.277 -0.687 361 1HB HIS 52 1HB HIS 52 7.419 5.290 0.281 362 2HB HIS 52 2HB HIS 52 7.903 4.650 -1.277 363 HD1 HIS 52 HD1 HIS 52 9.873 2.671 -1.081 364 HD2 HIS 52 HD2 HIS 52 7.502 3.440 2.293 365 HE1 HIS 52 HE1 HIS 52 10.086 0.622 0.424 366 H ASP 53 H ASP 53 11.158 7.440 -1.316 367 HA ASP 53 HA ASP 53 9.090 8.864 -2.782 368 1HB ASP 53 1HB ASP 53 9.505 10.394 -1.031 369 2HB ASP 53 2HB ASP 53 11.194 9.947 -0.904 370 H SER 54 H SER 54 9.988 7.418 -4.553 371 HA SER 54 HA SER 54 12.679 8.171 -5.342 372 1HB SER 54 1HB SER 54 11.722 5.692 -5.109 373 2HB SER 54 2HB SER 54 11.087 6.003 -6.713 374 HG SER 54 HG SER 54 13.801 6.710 -6.308 375 H MET 55 H MET 55 9.250 8.009 -6.423 376 HA MET 55 HA MET 55 8.179 8.913 -8.086 377 1HB MET 55 1HB MET 55 10.212 10.904 -7.255 378 2HB MET 55 2HB MET 55 9.704 11.151 -8.914 379 1HG MET 55 1HG MET 55 8.025 12.364 -7.881 380 2HG MET 55 2HG MET 55 7.253 10.792 -7.826 381 1HE MET 55 1HE MET 55 7.489 9.151 -6.031 382 2HE MET 55 2HE MET 55 7.429 9.604 -4.311 383 3HE MET 55 3HE MET 55 6.132 10.122 -5.413 384 H ASP 56 H ASP 56 10.105 6.844 -8.777 385 HA ASP 56 HA ASP 56 10.945 7.793 -11.401 386 1HB ASP 56 1HB ASP 56 12.380 6.429 -9.415 387 2HB ASP 56 2HB ASP 56 11.935 5.146 -10.523 388 H LYS 57 H LYS 57 9.178 5.341 -9.480 389 HA LYS 57 HA LYS 57 7.596 3.895 -10.022 390 1HB LYS 57 1HB LYS 57 6.709 5.733 -11.443 391 2HB LYS 57 2HB LYS 57 7.640 5.122 -12.795 392 1HG LYS 57 1HG LYS 57 6.032 3.019 -11.470 393 2HG LYS 57 2HG LYS 57 5.050 4.326 -12.101 394 1HD LYS 57 1HD LYS 57 5.614 3.883 -14.313 395 2HD LYS 57 2HD LYS 57 7.221 3.313 -13.908 396 1HE LYS 57 1HE LYS 57 6.161 1.229 -12.902 397 2HE LYS 57 2HE LYS 57 4.607 1.789 -13.485 398 1HZ LYS 57 1HZ LYS 57 5.128 1.140 -15.569 399 2HZ LYS 57 2HZ LYS 57 6.610 1.814 -15.543 400 H LYS 58 H LYS 58 9.720 4.177 -12.964 401 HA LYS 58 HA LYS 58 9.885 1.286 -13.027 402 1HB LYS 58 1HB LYS 58 10.900 1.585 -15.191 403 2HB LYS 58 2HB LYS 58 9.458 2.575 -15.092 404 1HG LYS 58 1HG LYS 58 11.750 4.094 -14.124 405 2HG LYS 58 2HG LYS 58 12.114 3.427 -15.703 406 1HD LYS 58 1HD LYS 58 9.649 4.307 -16.285 407 2HD LYS 58 2HD LYS 58 9.937 5.369 -14.920 408 1HE LYS 58 1HE LYS 58 12.237 5.887 -16.103 409 2HE LYS 58 2HE LYS 58 11.486 5.196 -17.527 410 1HZ LYS 58 1HZ LYS 58 11.216 7.735 -16.987 411 2HZ LYS 58 2HZ LYS 58 9.969 6.918 -17.641 412 H ASP 59 H ASP 59 10.950 1.485 -10.765 413 HA ASP 59 HA ASP 59 13.795 1.455 -11.270 414 1HB ASP 59 1HB ASP 59 13.318 3.695 -10.321 415 2HB ASP 59 2HB ASP 59 12.443 2.968 -8.988 416 H LYS 60 H LYS 60 11.133 1.086 -8.809 417 HA LYS 60 HA LYS 60 10.608 -0.559 -7.431 418 1HB LYS 60 1HB LYS 60 12.558 -2.257 -9.019 419 2HB LYS 60 2HB LYS 60 11.375 -2.855 -7.872 420 1HG LYS 60 1HG LYS 60 9.594 -2.505 -9.304 421 2HG LYS 60 2HG LYS 60 10.285 -1.047 -9.988 422 1HD LYS 60 1HD LYS 60 12.061 -2.691 -11.059 423 2HD LYS 60 2HD LYS 60 10.873 -3.932 -10.715 424 1HE LYS 60 1HE LYS 60 9.744 -1.501 -12.011 425 2HE LYS 60 2HE LYS 60 10.905 -2.364 -13.000 426 1HZ LYS 60 1HZ LYS 60 9.281 -4.312 -11.890 427 2HZ LYS 60 2HZ LYS 60 8.252 -3.134 -12.344 428 H SER 61 H SER 61 13.360 -2.498 -7.217 429 HA SER 61 HA SER 61 14.984 -2.688 -5.789 430 1HB SER 61 1HB SER 61 15.806 -0.528 -6.725 431 2HB SER 61 2HB SER 61 14.870 0.350 -5.532 432 HG SER 61 HG SER 61 16.296 -1.395 -4.111 433 H ALA 62 H ALA 62 13.337 0.213 -4.336 434 HA ALA 62 HA ALA 62 11.821 -1.203 -2.483 435 1HB ALA 62 1HB ALA 62 14.494 -1.436 -1.848 436 2HB ALA 62 2HB ALA 62 14.013 -0.009 -0.900 437 3HB ALA 62 3HB ALA 62 13.155 -1.553 -0.683 438 H LYS 63 H LYS 63 13.852 1.696 -3.159 439 HA LYS 63 HA LYS 63 12.300 3.458 -1.615 440 1HB LYS 63 1HB LYS 63 14.259 3.848 -3.885 441 2HB LYS 63 2HB LYS 63 13.459 5.193 -3.096 442 1HG LYS 63 1HG LYS 63 14.647 3.216 -1.214 443 2HG LYS 63 2HG LYS 63 15.821 4.024 -2.234 444 1HD LYS 63 1HD LYS 63 14.697 6.245 -1.559 445 2HD LYS 63 2HD LYS 63 13.796 5.332 -0.365 446 1HE LYS 63 1HE LYS 63 16.557 4.562 -0.109 447 2HE LYS 63 2HE LYS 63 16.518 6.311 -0.207 448 1HZ LYS 63 1HZ LYS 63 14.776 4.771 1.639 449 2HZ LYS 63 2HZ LYS 63 16.210 5.399 2.088 450 H GLY 64 H GLY 64 11.781 1.870 -4.675 451 1HA GLY 64 1HA GLY 64 10.154 3.749 -5.970 452 2HA GLY 64 2HA GLY 64 10.138 2.012 -6.201 453 H TYR 65 H TYR 65 8.572 4.763 -4.692 454 HA TYR 65 HA TYR 65 7.024 3.497 -2.770 455 1HB TYR 65 1HB TYR 65 7.210 5.947 -3.027 456 2HB TYR 65 2HB TYR 65 6.677 5.868 -4.694 457 HD1 TYR 65 HD1 TYR 65 5.454 5.101 -1.232 458 HD2 TYR 65 HD2 TYR 65 4.454 6.355 -5.199 459 HE1 TYR 65 HE1 TYR 65 3.062 5.549 -0.496 460 HE2 TYR 65 HE2 TYR 65 2.065 6.798 -4.449 461 HH TYR 65 HH TYR 65 1.028 7.412 -2.018 462 H TYR 66 H TYR 66 6.531 3.897 -6.318 463 HA TYR 66 HA TYR 66 3.908 2.754 -6.219 464 1HB TYR 66 1HB TYR 66 4.397 4.302 -8.007 465 2HB TYR 66 2HB TYR 66 6.009 3.655 -8.239 466 HD1 TYR 66 HD1 TYR 66 6.243 1.339 -9.321 467 HD2 TYR 66 HD2 TYR 66 2.589 3.565 -9.343 468 HE1 TYR 66 HE1 TYR 66 5.393 -0.061 -11.266 469 HE2 TYR 66 HE2 TYR 66 1.752 2.158 -11.288 470 HH TYR 66 HH TYR 66 2.122 0.434 -12.548 471 H HIS 67 H HIS 67 6.923 1.407 -5.714 472 HA HIS 67 HA HIS 67 6.298 -1.015 -7.209 473 1HB HIS 67 1HB HIS 67 8.482 -0.676 -7.670 474 2HB HIS 67 2HB HIS 67 8.760 0.287 -6.233 475 HD1 HIS 67 HD1 HIS 67 8.954 -3.216 -7.540 476 HD2 HIS 67 HD2 HIS 67 9.490 -1.200 -3.900 477 HE1 HIS 67 HE1 HIS 67 10.140 -4.853 -5.983 478 H VAL 68 H VAL 68 6.252 0.422 -4.016 479 HA VAL 68 HA VAL 68 6.075 -2.198 -2.754 480 HB VAL 68 HB VAL 68 5.912 -0.683 -0.681 481 1HG1 VAL 68 1HG1 VAL 68 7.905 -2.017 -1.410 482 2HG1 VAL 68 2HG1 VAL 68 8.484 -0.582 -2.290 483 3HG1 VAL 68 3HG1 VAL 68 8.311 -0.530 -0.520 484 1HG2 VAL 68 2HG2 VAL 68 5.395 1.373 -2.090 485 2HG2 VAL 68 3HG2 VAL 68 6.652 1.567 -0.845 486 3HG2 VAL 68 1HG2 VAL 68 7.114 1.372 -2.553 487 H MET 69 H MET 69 4.055 -0.507 -4.605 488 HA MET 69 HA MET 69 1.805 -0.938 -2.794 489 1HB MET 69 1HB MET 69 2.076 1.001 -5.160 490 2HB MET 69 2HB MET 69 0.634 0.826 -4.179 491 1HG MET 69 1HG MET 69 3.315 1.518 -2.912 492 2HG MET 69 2HG MET 69 2.290 2.765 -3.595 493 1HE MET 69 1HE MET 69 3.269 1.000 -0.588 494 2HE MET 69 2HE MET 69 3.121 2.772 -0.524 495 3HE MET 69 3HE MET 69 2.136 1.757 0.557 496 H HIS 70 H HIS 70 3.432 -1.950 -5.641 497 HA HIS 70 HA HIS 70 1.043 -3.435 -6.431 498 1HB HIS 70 1HB HIS 70 3.009 -2.296 -8.425 499 2HB HIS 70 2HB HIS 70 1.484 -3.093 -8.755 500 HD1 HIS 70 HD1 HIS 70 2.828 0.141 -7.240 501 HD2 HIS 70 HD2 HIS 70 -0.716 -1.422 -8.850 502 HE1 HIS 70 HE1 HIS 70 1.209 2.103 -7.446 503 H ASP 71 H ASP 71 4.600 -3.143 -7.156 504 HA ASP 71 HA ASP 71 5.163 -5.576 -7.941 505 1HB ASP 71 1HB ASP 71 6.655 -3.493 -7.051 506 2HB ASP 71 2HB ASP 71 6.896 -4.573 -5.692 507 H LYS 72 H LYS 72 5.427 -7.696 -7.028 508 HA LYS 72 HA LYS 72 4.421 -7.951 -4.284 509 1HB LYS 72 1HB LYS 72 4.476 -10.144 -6.358 510 2HB LYS 72 2HB LYS 72 3.546 -10.067 -4.875 511 1HG LYS 72 1HG LYS 72 2.225 -8.161 -5.777 512 2HG LYS 72 2HG LYS 72 3.183 -8.171 -7.244 513 1HD LYS 72 1HD LYS 72 2.430 -10.738 -7.342 514 2HD LYS 72 2HD LYS 72 1.132 -10.182 -6.304 515 1HE LYS 72 1HE LYS 72 0.293 -9.967 -8.542 516 2HE LYS 72 2HE LYS 72 0.678 -8.335 -8.033 517 1HZ LYS 72 1HZ LYS 72 1.617 -8.662 -10.193 518 2HZ LYS 72 2HZ LYS 72 2.884 -8.658 -9.169 519 H ASN 73 H ASN 73 7.052 -8.712 -6.565 520 HA ASN 73 HA ASN 73 8.341 -10.525 -4.877 521 1HB ASN 73 1HB ASN 73 9.050 -8.920 -7.328 522 2HB ASN 73 2HB ASN 73 10.393 -9.545 -6.391 523 1HD2 ASN 73 1HD2 ASN 73 10.186 -11.877 -5.715 524 2HD2 ASN 73 2HD2 ASN 73 9.614 -13.009 -6.895 525 H THR 74 H THR 74 7.850 -8.884 -2.922 526 HA THR 74 HA THR 74 10.252 -7.214 -2.592 527 HB THR 74 HB THR 74 8.753 -5.616 -1.347 528 HG1 THR 74 HG1 THR 74 7.186 -7.475 -0.958 529 1HG2 THR 74 2HG2 THR 74 8.604 -6.163 -4.223 530 2HG2 THR 74 3HG2 THR 74 7.042 -5.563 -3.616 531 3HG2 THR 74 1HG2 THR 74 8.518 -4.597 -3.381 532 H LYS 75 H LYS 75 11.013 -6.973 -0.390 533 HA LYS 75 HA LYS 75 10.981 -9.438 0.956 534 1HB LYS 75 1HB LYS 75 12.903 -7.943 0.986 535 2HB LYS 75 2HB LYS 75 11.975 -6.701 1.801 536 1HG LYS 75 1HG LYS 75 11.585 -8.956 3.427 537 2HG LYS 75 2HG LYS 75 13.253 -9.119 2.916 538 1HD LYS 75 1HD LYS 75 12.750 -6.341 3.599 539 2HD LYS 75 2HD LYS 75 12.187 -7.356 4.912 540 1HE LYS 75 1HE LYS 75 14.808 -8.220 3.833 541 2HE LYS 75 2HE LYS 75 14.838 -6.588 4.471 542 1HZ LYS 75 1HZ LYS 75 14.930 -7.525 6.497 543 2HZ LYS 75 2HZ LYS 75 13.412 -8.084 6.314 544 H PHE 76 H PHE 76 8.920 -6.591 1.058 545 HA PHE 76 HA PHE 76 7.595 -7.723 3.431 546 1HB PHE 76 1HB PHE 76 7.817 -4.884 2.250 547 2HB PHE 76 2HB PHE 76 6.808 -5.266 3.631 548 HD1 PHE 76 HD2 PHE 76 8.069 -6.436 5.657 549 HD2 PHE 76 HD1 PHE 76 9.983 -4.112 2.618 550 HE1 PHE 76 HE2 PHE 76 10.044 -6.024 7.205 551 HE2 PHE 76 HE1 PHE 76 11.951 -3.708 4.175 552 HZ PHE 76 HZ PHE 76 11.896 -4.748 6.494 553 H LYS 77 H LYS 77 5.226 -7.532 3.490 554 HA LYS 77 HA LYS 77 4.080 -8.319 1.053 555 1HB LYS 77 1HB LYS 77 3.196 -7.865 3.842 556 2HB LYS 77 2HB LYS 77 1.946 -7.686 2.627 557 1HG LYS 77 1HG LYS 77 1.816 -9.933 2.368 558 2HG LYS 77 2HG LYS 77 3.516 -10.016 1.949 559 1HD LYS 77 1HD LYS 77 2.615 -9.792 4.847 560 2HD LYS 77 2HD LYS 77 2.706 -11.346 4.043 561 1HE LYS 77 1HE LYS 77 5.096 -9.495 3.900 562 2HE LYS 77 2HE LYS 77 4.804 -10.379 5.384 563 1HZ LYS 77 1HZ LYS 77 4.890 -12.445 4.160 564 2HZ LYS 77 2HZ LYS 77 4.978 -11.685 2.722 565 H SER 78 H SER 78 3.272 -7.166 -0.624 566 HA SER 78 HA SER 78 3.182 -4.295 -0.236 567 1HB SER 78 1HB SER 78 3.549 -4.069 -2.551 568 2HB SER 78 2HB SER 78 4.502 -5.482 -2.141 569 HG SER 78 HG SER 78 3.242 -5.881 -4.038 570 H CYS 79 H CYS 79 1.334 -3.075 -1.284 571 HA CYS 79 HA CYS 79 -1.073 -3.799 -0.341 572 1HB CYS 79 1HB CYS 79 -0.659 -2.280 -2.923 573 2HB CYS 79 2HB CYS 79 -2.069 -2.220 -1.884 574 H VAL 80 H VAL 80 -0.156 -4.084 -3.861 575 HA VAL 80 HA VAL 80 -2.288 -5.798 -4.464 576 HB VAL 80 HB VAL 80 0.345 -5.275 -5.856 577 1HG1 VAL 80 2HG1 VAL 80 -1.358 -7.375 -6.383 578 2HG1 VAL 80 3HG1 VAL 80 -1.945 -6.118 -7.498 579 3HG1 VAL 80 1HG1 VAL 80 -0.241 -6.631 -7.551 580 1HG2 VAL 80 2HG2 VAL 80 -1.199 -3.313 -5.455 581 2HG2 VAL 80 3HG2 VAL 80 -0.818 -3.649 -7.161 582 3HG2 VAL 80 1HG2 VAL 80 -2.392 -4.136 -6.488 583 H GLY 81 H GLY 81 1.067 -6.333 -3.341 584 1HA GLY 81 1HA GLY 81 1.396 -9.008 -3.899 585 2HA GLY 81 2HA GLY 81 2.065 -8.170 -2.513 586 H CYS 82 H CYS 82 0.143 -7.604 -0.778 587 HA CYS 82 HA CYS 82 -0.596 -10.091 0.243 588 1HB CYS 82 1HB CYS 82 -0.191 -8.106 1.646 589 2HB CYS 82 2HB CYS 82 -1.617 -7.329 0.986 590 H HIS 83 H HIS 83 -2.370 -7.489 -1.540 591 HA HIS 83 HA HIS 83 -4.902 -8.518 -1.353 592 1HB HIS 83 1HB HIS 83 -3.481 -6.830 -3.393 593 2HB HIS 83 2HB HIS 83 -5.122 -7.363 -3.700 594 HD1 HIS 83 HD1 HIS 83 -5.943 -4.869 -3.552 595 HD2 HIS 83 HD2 HIS 83 -4.277 -6.382 -0.012 596 HE1 HIS 83 HE1 HIS 83 -6.574 -3.225 -1.705 597 H VAL 84 H VAL 84 -2.261 -9.306 -3.684 598 HA VAL 84 HA VAL 84 -3.743 -10.971 -5.333 599 HB VAL 84 HB VAL 84 -0.823 -10.945 -4.561 600 1HG1 VAL 84 3HG1 VAL 84 -2.316 -12.638 -6.555 601 2HG1 VAL 84 1HG1 VAL 84 -0.629 -12.160 -6.861 602 3HG1 VAL 84 2HG1 VAL 84 -1.038 -13.102 -5.407 603 1HG2 VAL 84 1HG2 VAL 84 -2.381 -9.176 -6.098 604 2HG2 VAL 84 2HG2 VAL 84 -0.605 -9.245 -5.990 605 3HG2 VAL 84 3HG2 VAL 84 -1.455 -10.143 -7.271 606 H GLU 85 H GLU 85 -2.152 -11.540 -2.170 607 HA GLU 85 HA GLU 85 -2.581 -14.332 -2.296 608 1HB GLU 85 1HB GLU 85 -1.424 -12.375 -0.399 609 2HB GLU 85 2HB GLU 85 -2.214 -13.725 0.391 610 1HG GLU 85 1HG GLU 85 -0.663 -14.735 -1.844 611 2HG GLU 85 2HG GLU 85 0.358 -13.686 -0.882 612 H VAL 86 H VAL 86 -4.350 -11.490 -1.061 613 HA VAL 86 HA VAL 86 -6.210 -13.018 0.459 614 HB VAL 86 HB VAL 86 -6.276 -10.182 -0.590 615 1HG1 VAL 86 1HG1 VAL 86 -8.509 -11.292 0.060 616 2HG1 VAL 86 2HG1 VAL 86 -7.892 -11.248 1.729 617 3HG1 VAL 86 3HG1 VAL 86 -8.103 -9.734 0.817 618 1HG2 VAL 86 3HG2 VAL 86 -4.538 -11.252 1.250 619 2HG2 VAL 86 1HG2 VAL 86 -5.025 -9.542 1.168 620 3HG2 VAL 86 2HG2 VAL 86 -5.855 -10.650 2.286 621 H ALA 87 H ALA 87 -6.324 -11.308 -2.744 622 HA ALA 87 HA ALA 87 -8.915 -12.201 -3.359 623 1HB ALA 87 3HB ALA 87 -7.628 -10.247 -4.355 624 2HB ALA 87 1HB ALA 87 -6.701 -11.438 -5.298 625 3HB ALA 87 2HB ALA 87 -8.459 -11.289 -5.534 626 H GLY 88 H GLY 88 -5.770 -13.743 -3.373 627 1HA GLY 88 1HA GLY 88 -5.023 -15.679 -4.306 628 2HA GLY 88 2HA GLY 88 -6.497 -16.294 -3.587 629 H ALA 89 H ALA 89 -7.795 -17.432 -4.952 630 HA ALA 89 HA ALA 89 -7.508 -16.896 -7.815 631 1HB ALA 89 3HB ALA 89 -8.446 -19.270 -6.176 632 2HB ALA 89 1HB ALA 89 -8.731 -19.157 -7.930 633 3HB ALA 89 2HB ALA 89 -7.067 -19.173 -7.297 634 H ASP 90 H ASP 90 -8.796 -14.860 -7.495 635 HA ASP 90 HA ASP 90 -11.549 -15.508 -7.922 636 1HB ASP 90 1HB ASP 90 -11.181 -15.108 -5.385 637 2HB ASP 90 2HB ASP 90 -10.827 -13.443 -5.799 638 H ALA 91 H ALA 91 -11.201 -14.599 -10.046 639 HA ALA 91 HA ALA 91 -9.766 -12.472 -10.799 640 1HB ALA 91 2HB ALA 91 -11.225 -14.015 -12.196 641 2HB ALA 91 3HB ALA 91 -12.604 -12.978 -11.762 642 3HB ALA 91 1HB ALA 91 -11.241 -12.304 -12.687 643 H ALA 92 H ALA 92 -13.175 -12.313 -9.550 644 HA ALA 92 HA ALA 92 -13.662 -9.684 -9.696 645 1HB ALA 92 2HB ALA 92 -14.455 -11.918 -7.971 646 2HB ALA 92 3HB ALA 92 -14.559 -10.349 -7.137 647 3HB ALA 92 1HB ALA 92 -15.441 -10.606 -8.661 648 H LYS 93 H LYS 93 -12.131 -11.190 -6.755 649 HA LYS 93 HA LYS 93 -11.343 -8.701 -5.718 650 1HB LYS 93 1HB LYS 93 -10.700 -11.575 -5.106 651 2HB LYS 93 2HB LYS 93 -9.802 -10.292 -4.321 652 1HG LYS 93 1HG LYS 93 -12.238 -9.285 -3.870 653 2HG LYS 93 2HG LYS 93 -12.747 -10.943 -4.118 654 1HD LYS 93 1HD LYS 93 -10.441 -10.356 -2.240 655 2HD LYS 93 2HD LYS 93 -12.086 -10.111 -1.689 656 1HE LYS 93 1HE LYS 93 -12.641 -12.479 -2.294 657 2HE LYS 93 2HE LYS 93 -10.994 -12.723 -2.841 658 1HZ LYS 93 1HZ LYS 93 -11.671 -13.309 -0.393 659 2HZ LYS 93 2HZ LYS 93 -10.201 -12.670 -0.682 660 H LYS 94 H LYS 94 -9.878 -11.003 -7.999 661 HA LYS 94 HA LYS 94 -7.273 -9.906 -7.836 662 1HB LYS 94 1HB LYS 94 -8.426 -12.164 -8.933 663 2HB LYS 94 2HB LYS 94 -8.019 -11.224 -10.355 664 1HG LYS 94 1HG LYS 94 -5.697 -11.125 -9.776 665 2HG LYS 94 2HG LYS 94 -6.000 -11.580 -8.111 666 1HD LYS 94 1HD LYS 94 -5.583 -13.732 -8.688 667 2HD LYS 94 2HD LYS 94 -7.068 -13.720 -9.619 668 1HE LYS 94 1HE LYS 94 -5.273 -12.404 -11.316 669 2HE LYS 94 2HE LYS 94 -4.263 -13.618 -10.558 670 1HZ LYS 94 1HZ LYS 94 -6.452 -15.057 -11.147 671 2HZ LYS 94 2HZ LYS 94 -6.484 -13.996 -12.383 672 H LYS 95 H LYS 95 -10.197 -8.603 -8.910 673 HA LYS 95 HA LYS 95 -8.730 -6.760 -10.663 674 1HB LYS 95 1HB LYS 95 -10.560 -8.521 -11.608 675 2HB LYS 95 2HB LYS 95 -11.620 -7.191 -11.191 676 1HG LYS 95 1HG LYS 95 -10.545 -5.686 -12.677 677 2HG LYS 95 2HG LYS 95 -9.068 -6.627 -12.723 678 1HD LYS 95 1HD LYS 95 -10.993 -8.425 -13.691 679 2HD LYS 95 2HD LYS 95 -11.511 -6.892 -14.363 680 1HE LYS 95 1HE LYS 95 -9.978 -7.408 -16.003 681 2HE LYS 95 2HE LYS 95 -8.844 -6.690 -14.876 682 1HZ LYS 95 1HZ LYS 95 -8.837 -9.164 -13.953 683 2HZ LYS 95 2HZ LYS 95 -9.252 -9.518 -15.488 684 H ASP 96 H ASP 96 -10.262 -7.240 -7.729 685 HA ASP 96 HA ASP 96 -11.242 -4.496 -7.722 686 1HB ASP 96 1HB ASP 96 -12.263 -7.008 -6.619 687 2HB ASP 96 2HB ASP 96 -12.055 -5.827 -5.340 688 H LEU 97 H LEU 97 -9.074 -6.940 -6.327 689 HA LEU 97 HA LEU 97 -8.196 -5.023 -4.293 690 1HB LEU 97 1HB LEU 97 -7.904 -8.018 -4.513 691 2HB LEU 97 2HB LEU 97 -7.053 -7.049 -3.327 692 HG LEU 97 HG LEU 97 -10.039 -7.470 -3.564 693 1HD1 LEU 97 2HD1 LEU 97 -8.568 -9.225 -2.474 694 2HD1 LEU 97 3HD1 LEU 97 -8.231 -8.022 -1.206 695 3HD1 LEU 97 1HD1 LEU 97 -9.899 -8.581 -1.483 696 1HD2 LEU 97 2HD2 LEU 97 -8.520 -5.301 -2.218 697 2HD2 LEU 97 3HD2 LEU 97 -10.172 -5.317 -2.879 698 3HD2 LEU 97 1HD2 LEU 97 -9.841 -6.055 -1.294 699 H THR 98 H THR 98 -7.315 -6.785 -7.233 700 HA THR 98 HA THR 98 -4.725 -5.391 -7.162 701 HB THR 98 HB THR 98 -3.654 -7.398 -8.011 702 HG1 THR 98 HG1 THR 98 -5.238 -9.264 -8.378 703 1HG2 THR 98 1HG2 THR 98 -5.715 -8.166 -5.879 704 2HG2 THR 98 2HG2 THR 98 -4.363 -9.210 -6.379 705 3HG2 THR 98 3HG2 THR 98 -4.037 -7.648 -5.588 706 H GLY 99 H GLY 99 -7.512 -4.848 -8.339 707 1HA GLY 99 1HA GLY 99 -7.247 -5.191 -11.159 708 2HA GLY 99 2HA GLY 99 -8.412 -4.198 -10.306 709 H CYS 100 H CYS 100 -6.631 -3.688 -12.749 710 HA CYS 100 HA CYS 100 -4.801 -1.687 -11.824 711 1HB CYS 100 1HB CYS 100 -5.588 -2.770 -14.512 712 2HB CYS 100 2HB CYS 100 -4.684 -1.273 -14.396 713 H LYS 101 H LYS 101 -7.752 -1.773 -13.967 714 HA LYS 101 HA LYS 101 -8.325 0.954 -13.034 715 1HB LYS 101 1HB LYS 101 -7.495 0.741 -15.435 716 2HB LYS 101 2HB LYS 101 -8.984 -0.112 -15.788 717 1HG LYS 101 1HG LYS 101 -10.225 1.907 -14.745 718 2HG LYS 101 2HG LYS 101 -8.688 2.747 -14.774 719 1HD LYS 101 1HD LYS 101 -8.841 1.703 -17.358 720 2HD LYS 101 2HD LYS 101 -10.515 2.088 -17.012 721 1HE LYS 101 1HE LYS 101 -10.121 4.310 -17.261 722 2HE LYS 101 2HE LYS 101 -8.836 4.266 -16.071 723 1HZ LYS 101 1HZ LYS 101 -7.270 3.672 -17.761 724 2HZ LYS 101 2HZ LYS 101 -8.423 3.392 -18.876 725 H LYS 102 H LYS 102 -10.496 1.435 -12.533 726 HA LYS 102 HA LYS 102 -12.567 1.028 -11.885 727 1HB LYS 102 1HB LYS 102 -12.351 -1.153 -13.965 728 2HB LYS 102 2HB LYS 102 -13.814 -0.899 -13.035 729 1HG LYS 102 1HG LYS 102 -12.637 1.574 -14.225 730 2HG LYS 102 2HG LYS 102 -13.229 0.405 -15.389 731 1HD LYS 102 1HD LYS 102 -15.138 1.732 -14.948 732 2HD LYS 102 2HD LYS 102 -15.396 0.322 -13.941 733 1HE LYS 102 1HE LYS 102 -13.888 2.643 -12.741 734 2HE LYS 102 2HE LYS 102 -15.618 2.821 -12.960 735 1HZ LYS 102 1HZ LYS 102 -14.901 1.808 -10.780 736 2HZ LYS 102 2HZ LYS 102 -16.009 0.926 -11.586 737 H SER 103 H SER 103 -10.613 0.346 -10.122 738 HA SER 103 HA SER 103 -11.663 -2.151 -9.041 739 1HB SER 103 1HB SER 103 -9.160 -1.939 -7.892 740 2HB SER 103 2HB SER 103 -9.549 -2.951 -9.269 741 HG SER 103 HG SER 103 -8.686 -0.194 -9.491 742 H LYS 104 H LYS 104 -10.551 -2.092 -6.494 743 HA LYS 104 HA LYS 104 -12.074 0.007 -5.297 744 1HB LYS 104 1HB LYS 104 -10.317 -2.155 -4.100 745 2HB LYS 104 2HB LYS 104 -11.333 -1.067 -3.178 746 1HG LYS 104 1HG LYS 104 -12.661 -2.527 -5.439 747 2HG LYS 104 2HG LYS 104 -12.179 -3.500 -4.064 748 1HD LYS 104 1HD LYS 104 -13.358 -1.228 -2.888 749 2HD LYS 104 2HD LYS 104 -14.366 -1.539 -4.288 750 1HE LYS 104 1HE LYS 104 -13.577 -3.760 -2.355 751 2HE LYS 104 2HE LYS 104 -14.990 -2.760 -2.084 752 1HZ LYS 104 1HZ LYS 104 -15.283 -3.515 -4.675 753 2HZ LYS 104 2HZ LYS 104 -14.622 -4.854 -4.026 754 H CYS 105 H CYS 105 -8.704 -0.572 -6.186 755 HA CYS 105 HA CYS 105 -7.749 1.523 -4.473 756 1HB CYS 105 1HB CYS 105 -6.374 -0.148 -6.601 757 2HB CYS 105 2HB CYS 105 -5.565 1.078 -5.644 758 H HIS 106 H HIS 106 -7.773 0.897 -8.068 759 HA HIS 106 HA HIS 106 -7.762 3.790 -8.445 760 1HB HIS 106 1HB HIS 106 -7.109 1.514 -10.336 761 2HB HIS 106 2HB HIS 106 -7.140 3.204 -10.799 762 HD1 HIS 106 HD1 HIS 106 -5.541 4.695 -8.839 763 HD2 HIS 106 HD2 HIS 106 -4.538 0.760 -9.887 764 HE1 HIS 106 HE1 HIS 106 -3.075 4.406 -8.253 765 H GLU 107 H GLU 107 -9.378 4.849 -9.656 766 HA GLU 107 HA GLU 107 -11.596 3.135 -10.444 767 1HB GLU 107 1HB GLU 107 -11.720 5.703 -8.814 768 2HB GLU 107 2HB GLU 107 -13.120 5.047 -9.639 769 1HG GLU 107 1HG GLU 107 -12.719 2.849 -8.396 770 2HG GLU 107 2HG GLU 107 -11.472 3.664 -7.472 771 HHA HEC 108 HHA HEC 108 -0.858 6.599 7.490 772 HHB HEC 108 HHB HEC 108 -1.748 3.997 13.282 773 HHC HEC 108 HHC HEC 108 -2.564 -1.758 10.586 774 HHD HEC 108 HHD HEC 108 -1.186 0.782 4.817 775 1HMA HEC 108 1HMA HEC 108 -0.904 5.992 13.514 776 2HMA HEC 108 2HMA HEC 108 -0.725 7.562 12.695 777 3HMA HEC 108 3HMA HEC 108 -2.348 6.903 13.010 778 1HAA HEC 108 1HAA HEC 108 -0.592 8.022 8.802 779 2HAA HEC 108 2HAA HEC 108 -1.683 8.535 10.112 780 1HBA HEC 108 1HBA HEC 108 0.733 7.823 11.363 781 2HBA HEC 108 2HBA HEC 108 1.179 8.756 9.914 782 1HMB HEC 108 1HMB HEC 108 -2.502 0.897 15.184 783 2HMB HEC 108 2HMB HEC 108 -1.992 2.561 14.809 784 3HMB HEC 108 3HMB HEC 108 -3.708 2.105 14.678 785 HAB HEC 108 HAB HEC 108 -3.287 -1.866 12.442 786 1HBB HEC 108 1HBB HEC 108 -4.043 -0.756 15.089 787 2HBB HEC 108 2HBB HEC 108 -4.941 -0.160 13.673 788 3HBB HEC 108 3HBB HEC 108 -4.897 -1.903 14.030 789 1HMC HEC 108 1HMC HEC 108 -3.392 -3.432 7.411 790 2HMC HEC 108 2HMC HEC 108 -1.763 -3.701 8.076 791 3HMC HEC 108 3HMC HEC 108 -3.075 -3.132 9.136 792 HAC HEC 108 HAC HEC 108 -2.046 -1.106 4.492 793 1HBC HEC 108 1HBC HEC 108 -2.506 -3.865 5.555 794 2HBC HEC 108 2HBC HEC 108 -3.828 -2.674 5.610 795 3HBC HEC 108 3HBC HEC 108 -3.081 -3.103 4.052 796 1HMD HEC 108 1HMD HEC 108 -1.396 2.930 3.037 797 2HMD HEC 108 2HMD HEC 108 0.113 3.873 3.061 798 3HMD HEC 108 3HMD HEC 108 0.130 2.154 3.522 799 1HAD HEC 108 1HAD HEC 108 -0.533 6.808 5.519 800 2HAD HEC 108 2HAD HEC 108 0.860 6.002 4.759 801 1HBD HEC 108 1HBD HEC 108 -1.344 5.271 3.196 802 2HBD HEC 108 2HBD HEC 108 -1.579 6.995 3.571 803 HHA HEC 109 HHA HEC 109 11.660 -2.296 1.557 804 HHB HEC 109 HHB HEC 109 5.285 -1.658 1.299 805 HHC HEC 109 HHC HEC 109 5.619 3.310 5.337 806 HHD HEC 109 HHD HEC 109 12.080 3.265 4.722 807 1HMA HEC 109 1HMA HEC 109 7.184 -4.005 -0.812 808 2HMA HEC 109 2HMA HEC 109 6.526 -4.502 0.765 809 3HMA HEC 109 3HMA HEC 109 5.845 -3.090 -0.079 810 1HAA HEC 109 1HAA HEC 109 10.929 -3.925 0.643 811 2HAA HEC 109 2HAA HEC 109 9.475 -4.885 0.280 812 1HBA HEC 109 1HBA HEC 109 9.196 -3.575 -1.815 813 2HBA HEC 109 2HBA HEC 109 10.736 -2.755 -1.461 814 1HMB HEC 109 1HMB HEC 109 2.380 -0.382 3.285 815 2HMB HEC 109 2HMB HEC 109 2.824 0.013 1.607 816 3HMB HEC 109 3HMB HEC 109 3.402 -1.499 2.348 817 HAB HEC 109 HAB HEC 109 3.723 2.733 5.266 818 1HBB HEC 109 1HBB HEC 109 1.935 1.644 6.082 819 2HBB HEC 109 2HBB HEC 109 1.466 0.991 4.494 820 3HBB HEC 109 3HBB HEC 109 2.763 0.210 5.430 821 1HMC HEC 109 1HMC HEC 109 8.088 5.944 6.851 822 2HMC HEC 109 2HMC HEC 109 6.719 5.586 5.772 823 3HMC HEC 109 3HMC HEC 109 6.929 4.663 7.279 824 HAC HEC 109 HAC HEC 109 11.631 4.828 5.805 825 1HBC HEC 109 1HBC HEC 109 11.602 5.620 7.960 826 2HBC HEC 109 2HBC HEC 109 9.851 5.941 7.940 827 3HBC HEC 109 3HBC HEC 109 10.448 4.269 8.071 828 1HMD HEC 109 1HMD HEC 109 14.658 2.205 2.876 829 2HMD HEC 109 2HMD HEC 109 13.908 2.629 4.433 830 3HMD HEC 109 3HMD HEC 109 14.863 1.135 4.284 831 1HAD HEC 109 1HAD HEC 109 13.625 -1.938 1.944 832 2HAD HEC 109 2HAD HEC 109 14.294 -0.487 1.162 833 1HBD HEC 109 1HBD HEC 109 14.902 -0.842 4.046 834 2HBD HEC 109 2HBD HEC 109 15.660 -1.982 2.908 835 HHA HEC 110 HHA HEC 110 -10.229 -4.781 0.873 836 HHB HEC 110 HHB HEC 110 -6.415 0.093 -0.800 837 HHC HEC 110 HHC HEC 110 -1.482 -2.790 2.089 838 HHD HEC 110 HHD HEC 110 -5.180 -7.924 3.266 839 1HMA HEC 110 1HMA HEC 110 -8.157 0.346 -1.738 840 2HMA HEC 110 2HMA HEC 110 -9.631 -0.462 -2.326 841 3HMA HEC 110 3HMA HEC 110 -9.673 0.481 -0.816 842 1HAA HEC 110 1HAA HEC 110 -11.269 -1.892 -1.365 843 2HAA HEC 110 2HAA HEC 110 -11.139 -3.624 -0.974 844 1HBA HEC 110 1HBA HEC 110 -12.358 -3.351 0.854 845 2HBA HEC 110 2HBA HEC 110 -11.278 -2.068 1.450 846 1HMB HEC 110 1HMB HEC 110 -3.944 0.718 -1.947 847 2HMB HEC 110 2HMB HEC 110 -4.645 1.553 -0.540 848 3HMB HEC 110 3HMB HEC 110 -2.878 1.450 -0.725 849 HAB HEC 110 HAB HEC 110 -0.766 -1.171 1.168 850 1HBB HEC 110 1HBB HEC 110 -2.040 1.265 1.406 851 2HBB HEC 110 2HBB HEC 110 -0.303 0.955 1.635 852 3HBB HEC 110 3HBB HEC 110 -0.905 1.525 0.060 853 1HMC HEC 110 1HMC HEC 110 -0.094 -6.270 2.503 854 2HMC HEC 110 2HMC HEC 110 -0.198 -4.510 2.260 855 3HMC HEC 110 3HMC HEC 110 -0.345 -5.193 3.898 856 HAC HEC 110 HAC HEC 110 -3.250 -8.123 4.314 857 1HBC HEC 110 1HBC HEC 110 -1.138 -8.568 5.131 858 2HBC HEC 110 2HBC HEC 110 -0.321 -7.838 3.728 859 3HBC HEC 110 3HBC HEC 110 -1.102 -6.798 4.943 860 1HMD HEC 110 1HMD HEC 110 -7.706 -9.514 2.766 861 2HMD HEC 110 2HMD HEC 110 -6.940 -8.716 4.160 862 3HMD HEC 110 3HMD HEC 110 -8.714 -8.796 4.046 863 1HAD HEC 110 1HAD HEC 110 -10.412 -8.049 2.857 864 2HAD HEC 110 2HAD HEC 110 -10.895 -6.340 2.728 865 1HBD HEC 110 1HBD HEC 110 -11.638 -6.631 0.657 866 2HBD HEC 110 2HBD HEC 110 -10.128 -7.423 0.146 867 HHA HEC 111 HHA HEC 111 0.325 5.440 -7.797 868 HHB HEC 111 HHB HEC 111 -0.732 1.919 -13.050 869 HHC HEC 111 HHC HEC 111 -3.409 -2.672 -9.473 870 HHD HEC 111 HHD HEC 111 -3.045 1.242 -4.318 871 1HMA HEC 111 1HMA HEC 111 1.149 5.255 -12.973 872 2HMA HEC 111 2HMA HEC 111 1.309 3.511 -13.293 873 3HMA HEC 111 3HMA HEC 111 -0.243 4.332 -13.587 874 1HAA HEC 111 1HAA HEC 111 0.487 6.844 -10.808 875 2HAA HEC 111 2HAA HEC 111 1.243 6.333 -9.280 876 1HBA HEC 111 1HBA HEC 111 3.244 6.173 -10.230 877 2HBA HEC 111 2HBA HEC 111 2.611 5.214 -11.590 878 1HMB HEC 111 1HMB HEC 111 -1.784 -0.067 -14.457 879 2HMB HEC 111 2HMB HEC 111 -0.115 -0.339 -13.902 880 3HMB HEC 111 3HMB HEC 111 -1.203 -1.723 -14.161 881 HAB HEC 111 HAB HEC 111 -3.441 -3.271 -11.497 882 1HBB HEC 111 1HBB HEC 111 -1.769 -4.654 -11.040 883 2HBB HEC 111 2HBB HEC 111 -1.287 -4.526 -12.749 884 3HBB HEC 111 3HBB HEC 111 -0.552 -3.453 -11.534 885 1HMC HEC 111 1HMC HEC 111 -5.798 -2.823 -6.935 886 2HMC HEC 111 2HMC HEC 111 -4.489 -3.479 -7.948 887 3HMC HEC 111 3HMC HEC 111 -4.423 -3.663 -6.178 888 HAC HEC 111 HAC HEC 111 -3.922 -0.453 -3.724 889 1HBC HEC 111 1HBC HEC 111 -4.175 -2.522 -2.807 890 2HBC HEC 111 2HBC HEC 111 -5.070 -3.163 -4.206 891 3HBC HEC 111 3HBC HEC 111 -3.304 -2.963 -4.295 892 1HMD HEC 111 1HMD HEC 111 -2.765 3.401 -3.156 893 2HMD HEC 111 2HMD HEC 111 -1.241 2.520 -2.892 894 3HMD HEC 111 3HMD HEC 111 -1.249 4.300 -2.910 895 1HAD HEC 111 1HAD HEC 111 0.522 5.290 -4.177 896 2HAD HEC 111 2HAD HEC 111 0.647 5.865 -5.857 897 1HBD HEC 111 1HBD HEC 111 -1.638 6.860 -5.599 898 2HBD HEC 111 2HBD HEC 111 -1.561 6.435 -3.872 No H/Q in entry = 898 Start of MODEL 13 1 1H ALA 1 1H ALA 1 1.700 2.923 22.204 2 2H ALA 1 2H ALA 1 0.935 4.387 22.096 3 HA ALA 1 HA ALA 1 1.184 3.581 19.958 4 1HB ALA 1 1HB ALA 1 1.145 1.121 21.143 5 2HB ALA 1 2HB ALA 1 -0.478 1.161 20.415 6 3HB ALA 1 3HB ALA 1 0.961 1.385 19.392 7 HA PRO 2 HA PRO 2 -2.779 5.464 19.858 8 1HB PRO 2 1HB PRO 2 -2.426 6.838 17.522 9 2HB PRO 2 2HB PRO 2 -1.937 7.463 19.084 10 1HG PRO 2 1HG PRO 2 -0.253 6.352 16.924 11 2HG PRO 2 2HG PRO 2 0.222 7.353 18.282 12 1HD PRO 2 1HD PRO 2 0.617 4.525 18.013 13 2HD PRO 2 2HD PRO 2 0.986 5.506 19.417 14 H LYS 3 H LYS 3 -4.766 5.418 18.613 15 HA LYS 3 HA LYS 3 -4.943 2.868 17.335 16 1HB LYS 3 1HB LYS 3 -6.778 4.935 18.361 17 2HB LYS 3 2HB LYS 3 -7.358 4.117 16.924 18 1HG LYS 3 1HG LYS 3 -8.122 2.807 18.793 19 2HG LYS 3 2HG LYS 3 -6.815 1.896 18.062 20 1HD LYS 3 1HD LYS 3 -5.888 1.823 20.139 21 2HD LYS 3 2HD LYS 3 -5.455 3.503 19.889 22 1HE LYS 3 1HE LYS 3 -6.919 4.195 21.483 23 2HE LYS 3 2HE LYS 3 -8.243 3.335 20.722 24 1HZ LYS 3 1HZ LYS 3 -7.936 2.349 22.844 25 2HZ LYS 3 2HZ LYS 3 -7.285 1.270 21.813 26 H ALA 4 H ALA 4 -6.422 2.926 15.169 27 HA ALA 4 HA ALA 4 -4.697 3.953 13.198 28 1HB ALA 4 1HB ALA 4 -7.330 2.525 13.321 29 2HB ALA 4 2HB ALA 4 -6.888 3.324 11.793 30 3HB ALA 4 3HB ALA 4 -5.826 2.074 12.483 31 HA PRO 5 HA PRO 5 -6.326 7.921 12.645 32 1HB PRO 5 1HB PRO 5 -5.627 8.443 10.056 33 2HB PRO 5 2HB PRO 5 -4.507 8.577 11.396 34 1HG PRO 5 1HG PRO 5 -4.685 6.467 9.334 35 2HG PRO 5 2HG PRO 5 -3.348 6.849 10.401 36 1HD PRO 5 1HD PRO 5 -5.188 4.664 10.668 37 2HD PRO 5 2HD PRO 5 -3.924 5.115 11.796 38 H ALA 6 H ALA 6 -7.791 9.374 11.324 39 HA ALA 6 HA ALA 6 -10.239 8.116 11.125 40 1HB ALA 6 2HB ALA 6 -9.037 10.726 10.485 41 2HB ALA 6 3HB ALA 6 -10.412 10.309 9.435 42 3HB ALA 6 1HB ALA 6 -10.620 10.344 11.203 43 H ASP 7 H ASP 7 -11.533 8.441 8.825 44 HA ASP 7 HA ASP 7 -10.097 6.635 7.087 45 1HB ASP 7 1HB ASP 7 -12.950 7.544 6.643 46 2HB ASP 7 2HB ASP 7 -12.215 6.013 6.214 47 H GLY 8 H GLY 8 -11.017 7.095 4.577 48 1HA GLY 8 1HA GLY 8 -11.111 8.495 2.803 49 2HA GLY 8 2HA GLY 8 -11.302 9.856 3.890 50 H LEU 9 H LEU 9 -8.601 7.785 4.646 51 HA LEU 9 HA LEU 9 -6.787 9.901 3.996 52 1HB LEU 9 1HB LEU 9 -6.454 8.747 6.033 53 2HB LEU 9 2HB LEU 9 -6.508 7.179 5.252 54 HG LEU 9 HG LEU 9 -4.233 7.978 5.995 55 1HD1 LEU 9 3HD1 LEU 9 -4.870 6.295 4.059 56 2HD1 LEU 9 1HD1 LEU 9 -4.107 7.540 3.041 57 3HD1 LEU 9 2HD1 LEU 9 -3.183 6.777 4.358 58 1HD2 LEU 9 3HD2 LEU 9 -4.756 10.363 5.085 59 2HD2 LEU 9 1HD2 LEU 9 -3.103 9.713 4.970 60 3HD2 LEU 9 2HD2 LEU 9 -4.163 9.707 3.540 61 H LYS 10 H LYS 10 -6.605 10.222 1.793 62 HA LYS 10 HA LYS 10 -5.913 7.845 0.219 63 1HB LYS 10 1HB LYS 10 -6.765 8.956 -1.692 64 2HB LYS 10 2HB LYS 10 -7.954 9.171 -0.423 65 1HG LYS 10 1HG LYS 10 -5.799 11.265 -0.840 66 2HG LYS 10 2HG LYS 10 -7.208 11.248 -1.881 67 1HD LYS 10 1HD LYS 10 -8.401 11.005 0.597 68 2HD LYS 10 2HD LYS 10 -6.994 11.967 1.006 69 1HE LYS 10 1HE LYS 10 -7.792 13.280 -1.259 70 2HE LYS 10 2HE LYS 10 -9.344 12.675 -0.714 71 1HZ LYS 10 1HZ LYS 10 -9.348 14.210 0.909 72 2HZ LYS 10 2HZ LYS 10 -7.898 13.742 1.484 73 H MET 11 H MET 11 -4.255 8.243 -1.548 74 HA MET 11 HA MET 11 -2.230 10.057 -0.481 75 1HB MET 11 1HB MET 11 -1.704 7.584 -2.201 76 2HB MET 11 2HB MET 11 -0.555 8.446 -1.197 77 1HG MET 11 1HG MET 11 -1.109 7.214 0.637 78 2HG MET 11 2HG MET 11 -2.817 7.542 0.422 79 1HE MET 11 2HE MET 11 0.173 5.524 -0.233 80 2HE MET 11 3HE MET 11 -0.718 4.440 0.862 81 3HE MET 11 1HE MET 11 -0.396 3.941 -0.816 82 H GLU 12 H GLU 12 -1.407 11.618 -1.843 83 HA GLU 12 HA GLU 12 -2.039 11.290 -4.669 84 1HB GLU 12 1HB GLU 12 -3.623 12.913 -3.958 85 2HB GLU 12 2HB GLU 12 -2.484 13.699 -2.884 86 1HG GLU 12 1HG GLU 12 -1.493 13.691 -5.649 87 2HG GLU 12 2HG GLU 12 -3.078 14.433 -5.549 88 H ALA 13 H ALA 13 0.295 10.346 -4.300 89 HA ALA 13 HA ALA 13 2.240 12.540 -4.290 90 1HB ALA 13 2HB ALA 13 2.451 10.661 -2.616 91 2HB ALA 13 3HB ALA 13 2.707 9.550 -3.983 92 3HB ALA 13 1HB ALA 13 3.868 10.863 -3.675 93 H THR 14 H THR 14 0.543 10.251 -6.277 94 HA THR 14 HA THR 14 2.400 10.864 -8.479 95 HB THR 14 HB THR 14 2.260 8.590 -9.215 96 HG1 THR 14 HG1 THR 14 0.034 8.619 -7.309 97 1HG2 THR 14 3HG2 THR 14 3.481 8.844 -6.932 98 2HG2 THR 14 1HG2 THR 14 1.984 8.224 -6.196 99 3HG2 THR 14 2HG2 THR 14 2.898 7.212 -7.340 100 H LYS 15 H LYS 15 1.109 10.112 -10.656 101 HA LYS 15 HA LYS 15 -1.014 12.006 -10.768 102 1HB LYS 15 1HB LYS 15 0.698 11.547 -12.572 103 2HB LYS 15 2HB LYS 15 -0.132 10.038 -12.896 104 1HG LYS 15 1HG LYS 15 -2.295 11.580 -13.036 105 2HG LYS 15 2HG LYS 15 -1.135 12.869 -13.285 106 1HD LYS 15 1HD LYS 15 -0.533 10.493 -14.932 107 2HD LYS 15 2HD LYS 15 -2.129 11.138 -15.258 108 1HE LYS 15 1HE LYS 15 -1.206 13.366 -15.717 109 2HE LYS 15 2HE LYS 15 0.390 12.863 -15.197 110 1HZ LYS 15 1HZ LYS 15 0.477 11.317 -17.058 111 2HZ LYS 15 2HZ LYS 15 -1.045 11.675 -17.513 112 H GLN 16 H GLN 16 -0.856 8.895 -9.540 113 HA GLN 16 HA GLN 16 -3.700 8.572 -10.062 114 1HB GLN 16 1HB GLN 16 -1.732 6.248 -9.948 115 2HB GLN 16 2HB GLN 16 -3.440 6.163 -10.330 116 1HG GLN 16 1HG GLN 16 -1.826 8.025 -12.032 117 2HG GLN 16 2HG GLN 16 -1.465 6.321 -12.223 118 1HE2 GLN 16 2HE2 GLN 16 -4.825 5.422 -13.261 119 2HE2 GLN 16 1HE2 GLN 16 -3.576 4.921 -12.170 120 HA PRO 17 HA PRO 17 -3.058 8.513 -5.639 121 1HB PRO 17 1HB PRO 17 -5.372 9.803 -4.969 122 2HB PRO 17 2HB PRO 17 -3.859 10.638 -5.261 123 1HG PRO 17 1HG PRO 17 -6.242 10.457 -7.001 124 2HG PRO 17 2HG PRO 17 -4.918 11.604 -7.068 125 1HD PRO 17 1HD PRO 17 -5.326 9.350 -8.795 126 2HD PRO 17 2HD PRO 17 -3.944 10.428 -8.787 127 H VAL 18 H VAL 18 -4.554 7.807 -3.727 128 HA VAL 18 HA VAL 18 -6.576 5.971 -4.620 129 HB VAL 18 HB VAL 18 -3.971 5.007 -3.431 130 1HG1 VAL 18 3HG1 VAL 18 -6.693 3.736 -3.512 131 2HG1 VAL 18 1HG1 VAL 18 -5.242 2.718 -3.675 132 3HG1 VAL 18 2HG1 VAL 18 -5.466 3.722 -2.222 133 1HG2 VAL 18 1HG2 VAL 18 -5.392 4.542 -6.060 134 2HG2 VAL 18 2HG2 VAL 18 -3.737 5.134 -5.774 135 3HG2 VAL 18 3HG2 VAL 18 -4.143 3.432 -5.448 136 H VAL 19 H VAL 19 -7.981 5.356 -2.900 137 HA VAL 19 HA VAL 19 -7.504 6.922 -0.465 138 HB VAL 19 HB VAL 19 -10.027 5.956 -1.817 139 1HG1 VAL 19 1HG1 VAL 19 -9.563 6.490 0.976 140 2HG1 VAL 19 2HG1 VAL 19 -10.661 7.720 0.306 141 3HG1 VAL 19 3HG1 VAL 19 -11.063 5.992 0.157 142 1HG2 VAL 19 2HG2 VAL 19 -8.514 8.227 -2.268 143 2HG2 VAL 19 3HG2 VAL 19 -10.236 8.022 -2.670 144 3HG2 VAL 19 1HG2 VAL 19 -9.766 8.798 -1.138 145 H PHE 20 H PHE 20 -6.843 5.785 1.276 146 HA PHE 20 HA PHE 20 -7.315 2.906 1.271 147 1HB PHE 20 1HB PHE 20 -5.052 4.176 1.667 148 2HB PHE 20 2HB PHE 20 -5.741 4.743 3.174 149 HD1 PHE 20 HD2 PHE 20 -5.276 1.485 1.356 150 HD2 PHE 20 HD1 PHE 20 -5.184 3.569 5.091 151 HE1 PHE 20 HE2 PHE 20 -4.478 -0.628 2.523 152 HE2 PHE 20 HE1 PHE 20 -4.386 1.448 6.246 153 HZ PHE 20 HZ PHE 20 -4.035 -0.640 4.839 154 H ASN 21 H ASN 21 -7.502 2.071 3.749 155 HA ASN 21 HA ASN 21 -9.123 3.751 5.353 156 1HB ASN 21 1HB ASN 21 -10.353 1.313 3.968 157 2HB ASN 21 2HB ASN 21 -11.082 2.089 5.359 158 1HD2 ASN 21 2HD2 ASN 21 -11.118 3.822 1.616 159 2HD2 ASN 21 1HD2 ASN 21 -10.090 2.488 2.017 160 H HIS 22 H HIS 22 -8.460 3.175 7.429 161 HA HIS 22 HA HIS 22 -7.045 0.721 7.787 162 1HB HIS 22 1HB HIS 22 -7.673 3.117 9.488 163 2HB HIS 22 2HB HIS 22 -7.073 1.654 10.242 164 HD1 HIS 22 HD1 HIS 22 -6.038 4.438 7.919 165 HD2 HIS 22 HD2 HIS 22 -4.359 1.052 9.739 166 HE1 HIS 22 HE1 HIS 22 -3.515 4.622 7.582 167 H SER 23 H SER 23 -10.338 1.804 8.031 168 HA SER 23 HA SER 23 -11.083 -0.035 10.050 169 1HB SER 23 1HB SER 23 -12.379 2.008 9.715 170 2HB SER 23 2HB SER 23 -12.694 1.595 8.041 171 HG SER 23 HG SER 23 -13.921 0.646 10.396 172 H THR 24 H THR 24 -9.952 -0.528 6.975 173 HA THR 24 HA THR 24 -11.788 -2.770 6.456 174 HB THR 24 HB THR 24 -9.972 -1.095 4.648 175 HG1 THR 24 HG1 THR 24 -12.841 -1.697 4.739 176 1HG2 THR 24 3HG2 THR 24 -10.800 -3.806 4.261 177 2HG2 THR 24 1HG2 THR 24 -11.912 -2.805 3.297 178 3HG2 THR 24 2HG2 THR 24 -10.156 -2.695 3.027 179 H HIS 25 H HIS 25 -8.436 -1.796 7.097 180 HA HIS 25 HA HIS 25 -7.655 -4.593 6.786 181 1HB HIS 25 1HB HIS 25 -5.946 -2.100 7.030 182 2HB HIS 25 2HB HIS 25 -5.343 -3.732 6.816 183 HD1 HIS 25 HD1 HIS 25 -7.357 -1.077 4.968 184 HD2 HIS 25 HD2 HIS 25 -5.260 -4.627 4.194 185 HE1 HIS 25 HE1 HIS 25 -7.234 -1.296 2.428 186 H LYS 26 H LYS 26 -9.352 -3.825 8.980 187 HA LYS 26 HA LYS 26 -7.818 -3.282 11.282 188 1HB LYS 26 1HB LYS 26 -10.555 -4.568 11.060 189 2HB LYS 26 2HB LYS 26 -9.862 -3.838 12.494 190 1HG LYS 26 1HG LYS 26 -9.882 -1.632 11.510 191 2HG LYS 26 2HG LYS 26 -10.181 -2.267 9.904 192 1HD LYS 26 1HD LYS 26 -12.317 -1.508 10.575 193 2HD LYS 26 2HD LYS 26 -12.398 -3.230 10.894 194 1HE LYS 26 1HE LYS 26 -11.748 -2.778 13.297 195 2HE LYS 26 2HE LYS 26 -11.780 -1.059 12.955 196 1HZ LYS 26 1HZ LYS 26 -13.903 -1.757 13.858 197 2HZ LYS 26 2HZ LYS 26 -14.144 -1.326 12.307 198 H SER 27 H SER 27 -8.970 -6.297 9.681 199 HA SER 27 HA SER 27 -8.040 -7.959 11.732 200 1HB SER 27 1HB SER 27 -8.503 -9.784 10.194 201 2HB SER 27 2HB SER 27 -9.777 -8.591 10.037 202 HG SER 27 HG SER 27 -7.830 -7.909 8.282 203 H VAL 28 H VAL 28 -6.435 -6.090 9.339 204 HA VAL 28 HA VAL 28 -4.205 -7.914 9.053 205 HB VAL 28 HB VAL 28 -4.560 -5.080 8.062 206 1HG1 VAL 28 1HG1 VAL 28 -2.226 -6.119 8.150 207 2HG1 VAL 28 2HG1 VAL 28 -2.800 -7.252 6.903 208 3HG1 VAL 28 3HG1 VAL 28 -2.772 -5.503 6.572 209 1HG2 VAL 28 1HG2 VAL 28 -6.364 -6.717 7.329 210 2HG2 VAL 28 2HG2 VAL 28 -5.442 -5.930 6.026 211 3HG2 VAL 28 3HG2 VAL 28 -5.079 -7.611 6.482 212 H LYS 29 H LYS 29 -2.142 -7.616 9.955 213 HA LYS 29 HA LYS 29 -2.150 -6.197 12.429 214 1HB LYS 29 1HB LYS 29 -0.649 -8.302 11.182 215 2HB LYS 29 2HB LYS 29 0.469 -7.071 11.733 216 1HG LYS 29 1HG LYS 29 -0.040 -7.400 13.967 217 2HG LYS 29 2HG LYS 29 -1.728 -7.744 13.646 218 1HD LYS 29 1HD LYS 29 0.011 -9.809 12.488 219 2HD LYS 29 2HD LYS 29 0.304 -9.628 14.207 220 1HE LYS 29 1HE LYS 29 -2.559 -9.745 13.240 221 2HE LYS 29 2HE LYS 29 -1.637 -11.234 13.301 222 1HZ LYS 29 1HZ LYS 29 -1.133 -10.693 15.669 223 2HZ LYS 29 2HZ LYS 29 -2.122 -9.401 15.587 224 H CYS 30 H CYS 30 -0.923 -4.359 13.019 225 HA CYS 30 HA CYS 30 -0.728 -2.427 11.006 226 1HB CYS 30 1HB CYS 30 0.675 -2.225 13.658 227 2HB CYS 30 2HB CYS 30 -0.014 -0.946 12.678 228 H GLY 31 H GLY 31 1.507 -4.795 12.452 229 1HA GLY 31 1HA GLY 31 3.895 -3.598 11.395 230 2HA GLY 31 2HA GLY 31 3.726 -5.167 12.157 231 H ASP 32 H ASP 32 1.270 -5.129 9.910 232 HA ASP 32 HA ASP 32 2.762 -6.812 8.180 233 1HB ASP 32 1HB ASP 32 0.298 -7.079 8.879 234 2HB ASP 32 2HB ASP 32 -0.072 -5.747 7.802 235 H CYS 33 H CYS 33 1.390 -3.499 8.217 236 HA CYS 33 HA CYS 33 2.306 -3.113 5.470 237 1HB CYS 33 1HB CYS 33 0.159 -1.855 7.128 238 2HB CYS 33 2HB CYS 33 0.967 -0.843 5.947 239 H HIS 34 H HIS 34 2.202 -1.507 8.739 240 HA HIS 34 HA HIS 34 4.291 0.284 8.023 241 1HB HIS 34 1HB HIS 34 3.028 -0.358 10.703 242 2HB HIS 34 2HB HIS 34 4.155 0.952 10.414 243 HD1 HIS 34 HD1 HIS 34 3.300 2.974 8.915 244 HD2 HIS 34 HD2 HIS 34 0.387 0.127 9.916 245 HE1 HIS 34 HE1 HIS 34 1.044 4.050 8.405 246 H HIS 35 H HIS 35 5.491 -1.897 7.261 247 HA HIS 35 HA HIS 35 6.606 -3.657 8.953 248 1HB HIS 35 1HB HIS 35 8.412 -3.889 7.359 249 2HB HIS 35 2HB HIS 35 6.888 -3.669 6.522 250 HD1 HIS 35 HD1 HIS 35 9.879 -1.526 7.610 251 HD2 HIS 35 HD2 HIS 35 6.963 -1.724 4.601 252 HE1 HIS 35 HE1 HIS 35 10.448 0.317 5.940 253 HA PRO 36 HA PRO 36 9.217 -1.460 11.611 254 1HB PRO 36 1HB PRO 36 10.933 -3.428 12.418 255 2HB PRO 36 2HB PRO 36 9.325 -3.227 13.083 256 1HG PRO 36 1HG PRO 36 10.297 -5.256 11.166 257 2HG PRO 36 2HG PRO 36 8.851 -5.285 12.155 258 1HD PRO 36 1HD PRO 36 8.999 -4.721 9.346 259 2HD PRO 36 2HD PRO 36 7.571 -4.636 10.359 260 H VAL 37 H VAL 37 10.892 -0.054 11.570 261 HA VAL 37 HA VAL 37 12.980 -0.781 9.639 262 HB VAL 37 HB VAL 37 11.538 1.855 9.963 263 1HG1 VAL 37 2HG1 VAL 37 14.255 1.281 9.033 264 2HG1 VAL 37 3HG1 VAL 37 13.269 2.124 7.814 265 3HG1 VAL 37 1HG1 VAL 37 13.483 2.835 9.431 266 1HG2 VAL 37 3HG2 VAL 37 11.802 -0.070 7.630 267 2HG2 VAL 37 1HG2 VAL 37 10.331 0.284 8.568 268 3HG2 VAL 37 2HG2 VAL 37 11.055 1.543 7.540 269 H ASN 38 H ASN 38 14.889 -0.970 10.679 270 HA ASN 38 HA ASN 38 16.608 -0.320 11.892 271 1HB ASN 38 1HB ASN 38 15.330 2.068 11.885 272 2HB ASN 38 2HB ASN 38 15.056 1.664 13.568 273 1HD2 ASN 38 2HD2 ASN 38 18.086 3.293 14.198 274 2HD2 ASN 38 1HD2 ASN 38 16.356 3.332 14.278 275 H GLY 39 H GLY 39 13.619 -1.530 12.796 276 1HA GLY 39 1HA GLY 39 13.443 -3.266 14.378 277 2HA GLY 39 2HA GLY 39 14.659 -2.492 15.375 278 H LYS 40 H LYS 40 12.754 0.015 14.218 279 HA LYS 40 HA LYS 40 11.110 -0.074 16.646 280 1HB LYS 40 1HB LYS 40 11.224 2.261 16.746 281 2HB LYS 40 2HB LYS 40 12.849 1.767 16.315 282 1HG LYS 40 1HG LYS 40 11.747 2.028 13.811 283 2HG LYS 40 2HG LYS 40 10.813 3.227 14.683 284 1HD LYS 40 1HD LYS 40 12.978 4.225 15.541 285 2HD LYS 40 2HD LYS 40 13.862 3.078 14.554 286 1HE LYS 40 1HE LYS 40 13.151 4.069 12.520 287 2HE LYS 40 2HE LYS 40 11.752 4.823 13.257 288 1HZ LYS 40 1HZ LYS 40 13.722 6.002 14.625 289 2HZ LYS 40 2HZ LYS 40 14.502 5.759 13.216 290 H GLU 41 H GLU 41 8.868 0.392 16.528 291 HA GLU 41 HA GLU 41 7.851 0.287 13.794 292 1HB GLU 41 1HB GLU 41 7.363 -1.468 16.047 293 2HB GLU 41 2HB GLU 41 5.861 -0.678 15.611 294 1HG GLU 41 1HG GLU 41 6.696 -1.303 13.115 295 2HG GLU 41 2HG GLU 41 7.567 -2.551 13.984 296 H ASP 42 H ASP 42 6.715 2.080 13.194 297 HA ASP 42 HA ASP 42 5.214 3.432 15.267 298 1HB ASP 42 1HB ASP 42 7.654 4.425 14.298 299 2HB ASP 42 2HB ASP 42 6.469 5.283 13.332 300 H TYR 43 H TYR 43 3.766 5.233 14.074 301 HA TYR 43 HA TYR 43 2.806 4.004 11.586 302 1HB TYR 43 1HB TYR 43 1.541 5.953 13.612 303 2HB TYR 43 2HB TYR 43 0.682 5.189 12.290 304 HD1 TYR 43 HD1 TYR 43 1.941 2.395 12.614 305 HD2 TYR 43 HD2 TYR 43 0.219 5.129 15.419 306 HE1 TYR 43 HE1 TYR 43 1.327 0.456 14.139 307 HE2 TYR 43 HE2 TYR 43 -0.389 3.180 16.934 308 HH TYR 43 HH TYR 43 0.466 -0.148 16.020 309 H ARG 44 H ARG 44 4.121 5.047 10.042 310 HA ARG 44 HA ARG 44 3.633 7.913 9.923 311 1HB ARG 44 1HB ARG 44 6.079 7.005 10.519 312 2HB ARG 44 2HB ARG 44 6.177 6.712 8.793 313 1HG ARG 44 1HG ARG 44 6.080 8.989 8.251 314 2HG ARG 44 2HG ARG 44 5.168 9.407 9.687 315 1HD ARG 44 1HD ARG 44 7.211 8.993 11.093 316 2HD ARG 44 2HD ARG 44 8.120 8.608 9.644 317 HE ARG 44 HE ARG 44 8.160 10.897 9.056 318 1HH1 ARG 44 2HH2 ARG 44 5.978 10.389 11.801 319 2HH1 ARG 44 1HH2 ARG 44 5.820 12.078 12.148 320 HH2 ARG 44 HH1 ARG 44 6.989 13.670 10.790 321 H LYS 45 H LYS 45 3.690 8.804 7.655 322 HA LYS 45 HA LYS 45 2.280 7.123 5.895 323 1HB LYS 45 1HB LYS 45 3.578 9.834 5.496 324 2HB LYS 45 2HB LYS 45 2.543 9.052 4.317 325 1HG LYS 45 1HG LYS 45 0.911 10.254 5.426 326 2HG LYS 45 2HG LYS 45 0.901 8.832 6.450 327 1HD LYS 45 1HD LYS 45 1.774 9.961 8.235 328 2HD LYS 45 2HD LYS 45 2.981 10.767 7.253 329 1HE LYS 45 1HE LYS 45 1.751 12.660 7.581 330 2HE LYS 45 2HE LYS 45 0.648 12.003 6.388 331 1HZ LYS 45 1HZ LYS 45 -0.448 10.830 8.353 332 2HZ LYS 45 2HZ LYS 45 0.417 11.802 9.332 333 H CYS 46 H CYS 46 2.924 5.876 4.169 334 HA CYS 46 HA CYS 46 5.526 4.933 4.147 335 1HB CYS 46 1HB CYS 46 3.761 4.773 1.725 336 2HB CYS 46 2HB CYS 46 4.901 3.596 2.346 337 H GLY 47 H GLY 47 3.783 7.302 2.021 338 1HA GLY 47 1HA GLY 47 6.101 7.863 0.429 339 2HA GLY 47 2HA GLY 47 4.558 8.695 0.411 340 H THR 48 H THR 48 7.066 8.137 2.991 341 HA THR 48 HA THR 48 6.884 10.990 3.625 342 HB THR 48 HB THR 48 7.556 8.436 5.082 343 HG1 THR 48 HG1 THR 48 5.528 9.892 5.057 344 1HG2 THR 48 1HG2 THR 48 8.978 11.045 5.440 345 2HG2 THR 48 2HG2 THR 48 8.241 10.375 6.915 346 3HG2 THR 48 3HG2 THR 48 9.439 9.422 6.005 347 H ALA 49 H ALA 49 8.490 12.422 3.274 348 HA ALA 49 HA ALA 49 10.490 11.840 1.467 349 1HB ALA 49 1HB ALA 49 9.444 14.079 2.676 350 2HB ALA 49 2HB ALA 49 11.070 14.006 3.398 351 3HB ALA 49 3HB ALA 49 10.884 14.069 1.629 352 H GLY 50 H GLY 50 12.073 10.337 1.717 353 1HA GLY 50 1HA GLY 50 14.266 10.095 2.765 354 2HA GLY 50 2HA GLY 50 13.483 10.301 4.319 355 H CYS 51 H CYS 51 11.084 8.689 2.951 356 HA CYS 51 HA CYS 51 12.242 6.100 3.652 357 1HB CYS 51 1HB CYS 51 9.382 7.102 3.718 358 2HB CYS 51 2HB CYS 51 9.810 5.414 3.914 359 H HIS 52 H HIS 52 9.223 6.697 1.817 360 HA HIS 52 HA HIS 52 10.490 5.365 -0.461 361 1HB HIS 52 1HB HIS 52 7.619 5.418 0.492 362 2HB HIS 52 2HB HIS 52 8.091 4.811 -1.083 363 HD1 HIS 52 HD1 HIS 52 10.040 2.796 -0.926 364 HD2 HIS 52 HD2 HIS 52 7.633 3.500 2.437 365 HE1 HIS 52 HE1 HIS 52 10.197 0.698 0.518 366 H ASP 53 H ASP 53 11.347 7.750 -0.690 367 HA ASP 53 HA ASP 53 9.335 9.195 -2.230 368 1HB ASP 53 1HB ASP 53 10.460 11.271 -1.618 369 2HB ASP 53 2HB ASP 53 10.096 10.380 -0.154 370 H SER 54 H SER 54 10.433 7.384 -3.784 371 HA SER 54 HA SER 54 12.999 8.286 -4.738 372 1HB SER 54 1HB SER 54 12.435 5.831 -4.382 373 2HB SER 54 2HB SER 54 11.303 5.947 -5.714 374 HG SER 54 HG SER 54 13.325 5.154 -6.477 375 H MET 55 H MET 55 9.612 7.740 -5.917 376 HA MET 55 HA MET 55 8.476 8.603 -7.556 377 1HB MET 55 1HB MET 55 10.336 10.731 -6.744 378 2HB MET 55 2HB MET 55 9.970 10.875 -8.452 379 1HG MET 55 1HG MET 55 8.112 12.007 -7.718 380 2HG MET 55 2HG MET 55 7.449 10.403 -7.474 381 1HE MET 55 2HE MET 55 7.188 9.218 -5.627 382 2HE MET 55 3HE MET 55 7.358 9.705 -3.923 383 3HE MET 55 1HE MET 55 6.044 10.382 -4.916 384 H ASP 56 H ASP 56 10.493 6.606 -8.167 385 HA ASP 56 HA ASP 56 11.508 7.508 -10.723 386 1HB ASP 56 1HB ASP 56 11.986 4.961 -9.107 387 2HB ASP 56 2HB ASP 56 12.707 5.262 -10.675 388 H LYS 57 H LYS 57 9.361 5.111 -9.103 389 HA LYS 57 HA LYS 57 7.714 3.843 -9.844 390 1HB LYS 57 1HB LYS 57 6.898 5.883 -10.926 391 2HB LYS 57 2HB LYS 57 7.873 5.554 -12.343 392 1HG LYS 57 1HG LYS 57 6.185 3.252 -11.565 393 2HG LYS 57 2HG LYS 57 5.245 4.687 -11.925 394 1HD LYS 57 1HD LYS 57 6.776 4.871 -14.065 395 2HD LYS 57 2HD LYS 57 7.168 3.194 -13.739 396 1HE LYS 57 1HE LYS 57 4.252 3.931 -13.701 397 2HE LYS 57 2HE LYS 57 5.045 3.934 -15.264 398 1HZ LYS 57 1HZ LYS 57 5.279 1.624 -13.423 399 2HZ LYS 57 2HZ LYS 57 4.067 1.734 -14.504 400 H LYS 58 H LYS 58 9.492 4.356 -12.966 401 HA LYS 58 HA LYS 58 9.600 1.501 -13.308 402 1HB LYS 58 1HB LYS 58 10.460 2.016 -15.511 403 2HB LYS 58 2HB LYS 58 9.046 2.996 -15.180 404 1HG LYS 58 1HG LYS 58 11.014 4.662 -14.232 405 2HG LYS 58 2HG LYS 58 11.901 3.826 -15.491 406 1HD LYS 58 1HD LYS 58 9.258 4.546 -16.483 407 2HD LYS 58 2HD LYS 58 10.032 5.964 -15.803 408 1HE LYS 58 1HE LYS 58 11.553 6.086 -17.502 409 2HE LYS 58 2HE LYS 58 11.912 4.373 -17.420 410 1HZ LYS 58 1HZ LYS 58 9.428 4.377 -18.483 411 2HZ LYS 58 2HZ LYS 58 10.037 5.738 -19.140 412 H ASP 59 H ASP 59 10.875 1.281 -11.210 413 HA ASP 59 HA ASP 59 13.660 1.270 -11.962 414 1HB ASP 59 1HB ASP 59 12.681 3.273 -10.295 415 2HB ASP 59 2HB ASP 59 13.196 2.064 -9.135 416 H LYS 60 H LYS 60 11.443 0.780 -9.097 417 HA LYS 60 HA LYS 60 11.021 -0.976 -7.827 418 1HB LYS 60 1HB LYS 60 12.125 -2.520 -10.188 419 2HB LYS 60 2HB LYS 60 11.428 -3.286 -8.774 420 1HG LYS 60 1HG LYS 60 9.283 -2.731 -9.368 421 2HG LYS 60 2HG LYS 60 9.734 -1.115 -9.876 422 1HD LYS 60 1HD LYS 60 10.944 -2.886 -11.760 423 2HD LYS 60 2HD LYS 60 9.323 -3.499 -11.505 424 1HE LYS 60 1HE LYS 60 8.936 -0.722 -11.682 425 2HE LYS 60 2HE LYS 60 10.194 -1.027 -12.863 426 1HZ LYS 60 1HZ LYS 60 8.439 -3.047 -13.325 427 2HZ LYS 60 2HZ LYS 60 7.430 -1.829 -12.941 428 H SER 61 H SER 61 12.046 -1.415 -5.948 429 HA SER 61 HA SER 61 14.411 -2.741 -5.741 430 1HB SER 61 1HB SER 61 14.973 -0.182 -6.677 431 2HB SER 61 2HB SER 61 15.194 0.003 -4.949 432 HG SER 61 HG SER 61 16.573 -1.747 -6.766 433 H ALA 62 H ALA 62 13.082 0.321 -4.268 434 HA ALA 62 HA ALA 62 11.830 -0.950 -2.138 435 1HB ALA 62 2HB ALA 62 14.595 -1.070 -1.843 436 2HB ALA 62 3HB ALA 62 14.141 0.357 -0.882 437 3HB ALA 62 1HB ALA 62 13.397 -1.223 -0.536 438 H LYS 63 H LYS 63 13.901 1.921 -2.949 439 HA LYS 63 HA LYS 63 12.309 3.725 -1.498 440 1HB LYS 63 1HB LYS 63 14.261 4.177 -3.775 441 2HB LYS 63 2HB LYS 63 13.575 5.443 -2.778 442 1HG LYS 63 1HG LYS 63 14.676 3.294 -1.114 443 2HG LYS 63 2HG LYS 63 15.889 3.904 -2.223 444 1HD LYS 63 1HD LYS 63 14.258 6.025 -0.915 445 2HD LYS 63 2HD LYS 63 15.226 5.077 0.197 446 1HE LYS 63 1HE LYS 63 17.202 5.952 -0.573 447 2HE LYS 63 2HE LYS 63 16.706 5.856 -2.251 448 1HZ LYS 63 1HZ LYS 63 16.898 8.163 -1.582 449 2HZ LYS 63 2HZ LYS 63 15.323 7.859 -1.863 450 H GLY 64 H GLY 64 11.854 2.063 -4.512 451 1HA GLY 64 1HA GLY 64 10.297 3.970 -5.891 452 2HA GLY 64 2HA GLY 64 10.311 2.235 -6.141 453 H TYR 65 H TYR 65 8.702 4.950 -4.564 454 HA TYR 65 HA TYR 65 7.091 3.693 -2.739 455 1HB TYR 65 1HB TYR 65 7.247 6.151 -3.136 456 2HB TYR 65 2HB TYR 65 6.654 5.960 -4.774 457 HD1 TYR 65 HD1 TYR 65 5.558 5.198 -1.261 458 HD2 TYR 65 HD2 TYR 65 4.431 6.484 -5.183 459 HE1 TYR 65 HE1 TYR 65 3.181 5.599 -0.454 460 HE2 TYR 65 HE2 TYR 65 2.058 6.881 -4.362 461 HH TYR 65 HH TYR 65 0.690 5.678 -2.160 462 H TYR 66 H TYR 66 6.590 4.086 -6.302 463 HA TYR 66 HA TYR 66 4.056 2.779 -6.229 464 1HB TYR 66 1HB TYR 66 4.528 4.360 -8.009 465 2HB TYR 66 2HB TYR 66 6.143 3.727 -8.251 466 HD1 TYR 66 HD1 TYR 66 6.411 1.443 -9.357 467 HD2 TYR 66 HD2 TYR 66 2.695 3.563 -9.290 468 HE1 TYR 66 HE1 TYR 66 5.557 0.024 -11.287 469 HE2 TYR 66 HE2 TYR 66 1.855 2.137 -11.219 470 HH TYR 66 HH TYR 66 2.259 0.471 -12.531 471 H HIS 67 H HIS 67 7.111 1.582 -5.650 472 HA HIS 67 HA HIS 67 6.626 -0.881 -7.134 473 1HB HIS 67 1HB HIS 67 8.794 -0.471 -7.590 474 2HB HIS 67 2HB HIS 67 9.011 0.566 -6.194 475 HD1 HIS 67 HD1 HIS 67 9.700 -2.830 -7.439 476 HD2 HIS 67 HD2 HIS 67 9.513 -0.922 -3.708 477 HE1 HIS 67 HE1 HIS 67 10.885 -4.372 -5.787 478 H VAL 68 H VAL 68 6.244 0.588 -4.039 479 HA VAL 68 HA VAL 68 6.235 -2.036 -2.733 480 HB VAL 68 HB VAL 68 6.044 -0.502 -0.663 481 1HG1 VAL 68 1HG1 VAL 68 8.083 -1.829 -1.676 482 2HG1 VAL 68 2HG1 VAL 68 8.697 -0.198 -2.038 483 3HG1 VAL 68 3HG1 VAL 68 8.328 -0.658 -0.358 484 1HG2 VAL 68 3HG2 VAL 68 5.541 1.558 -1.990 485 2HG2 VAL 68 1HG2 VAL 68 6.920 1.735 -0.878 486 3HG2 VAL 68 2HG2 VAL 68 7.205 1.508 -2.620 487 H MET 69 H MET 69 4.201 -0.351 -4.580 488 HA MET 69 HA MET 69 1.955 -0.790 -2.766 489 1HB MET 69 1HB MET 69 2.171 1.101 -5.175 490 2HB MET 69 2HB MET 69 0.771 0.957 -4.131 491 1HG MET 69 1HG MET 69 3.471 1.620 -2.919 492 2HG MET 69 2HG MET 69 2.543 2.884 -3.702 493 1HE MET 69 1HE MET 69 3.605 2.480 -0.830 494 2HE MET 69 2HE MET 69 2.341 2.487 0.424 495 3HE MET 69 3HE MET 69 2.916 0.944 -0.252 496 H HIS 70 H HIS 70 3.580 -1.804 -5.622 497 HA HIS 70 HA HIS 70 1.215 -3.349 -6.365 498 1HB HIS 70 1HB HIS 70 3.111 -2.195 -8.415 499 2HB HIS 70 2HB HIS 70 1.577 -2.995 -8.691 500 HD1 HIS 70 HD1 HIS 70 2.954 0.243 -7.205 501 HD2 HIS 70 HD2 HIS 70 -0.614 -1.319 -8.764 502 HE1 HIS 70 HE1 HIS 70 1.332 2.205 -7.383 503 H ASP 71 H ASP 71 4.747 -2.969 -7.165 504 HA ASP 71 HA ASP 71 5.365 -5.383 -7.951 505 1HB ASP 71 1HB ASP 71 6.794 -3.244 -6.992 506 2HB ASP 71 2HB ASP 71 7.137 -4.419 -5.739 507 H LYS 72 H LYS 72 5.186 -7.489 -7.145 508 HA LYS 72 HA LYS 72 4.415 -7.764 -4.350 509 1HB LYS 72 1HB LYS 72 4.396 -9.879 -6.515 510 2HB LYS 72 2HB LYS 72 3.584 -9.927 -4.963 511 1HG LYS 72 1HG LYS 72 1.768 -8.992 -5.944 512 2HG LYS 72 2HG LYS 72 2.691 -7.518 -6.156 513 1HD LYS 72 1HD LYS 72 3.667 -8.851 -8.283 514 2HD LYS 72 2HD LYS 72 2.156 -9.727 -8.139 515 1HE LYS 72 1HE LYS 72 0.839 -7.744 -8.455 516 2HE LYS 72 2HE LYS 72 2.199 -6.686 -8.136 517 1HZ LYS 72 1HZ LYS 72 1.714 -6.890 -10.530 518 2HZ LYS 72 2HZ LYS 72 3.217 -7.426 -10.207 519 H ASN 73 H ASN 73 7.016 -8.507 -6.664 520 HA ASN 73 HA ASN 73 8.307 -10.356 -5.012 521 1HB ASN 73 1HB ASN 73 9.505 -8.529 -7.162 522 2HB ASN 73 2HB ASN 73 10.247 -9.991 -6.541 523 1HD2 ASN 73 2HD2 ASN 73 8.588 -12.186 -8.634 524 2HD2 ASN 73 1HD2 ASN 73 9.814 -11.871 -7.453 525 H THR 74 H THR 74 7.871 -8.753 -3.026 526 HA THR 74 HA THR 74 10.278 -7.086 -2.721 527 HB THR 74 HB THR 74 8.796 -5.521 -1.402 528 HG1 THR 74 HG1 THR 74 6.479 -6.030 -1.616 529 1HG2 THR 74 3HG2 THR 74 8.610 -5.996 -4.294 530 2HG2 THR 74 1HG2 THR 74 7.070 -5.381 -3.648 531 3HG2 THR 74 2HG2 THR 74 8.569 -4.451 -3.412 532 H LYS 75 H LYS 75 11.055 -6.853 -0.509 533 HA LYS 75 HA LYS 75 11.080 -9.346 0.787 534 1HB LYS 75 1HB LYS 75 12.965 -7.764 0.791 535 2HB LYS 75 2HB LYS 75 12.027 -6.625 1.735 536 1HG LYS 75 1HG LYS 75 11.837 -9.101 3.131 537 2HG LYS 75 2HG LYS 75 13.513 -8.973 2.636 538 1HD LYS 75 1HD LYS 75 13.818 -6.889 3.782 539 2HD LYS 75 2HD LYS 75 12.093 -6.615 3.927 540 1HE LYS 75 1HE LYS 75 12.359 -7.450 6.043 541 2HE LYS 75 2HE LYS 75 12.313 -9.014 5.253 542 1HZ LYS 75 1HZ LYS 75 14.781 -7.485 5.885 543 2HZ LYS 75 2HZ LYS 75 14.284 -8.842 6.634 544 H PHE 76 H PHE 76 8.953 -6.565 0.937 545 HA PHE 76 HA PHE 76 7.673 -7.763 3.302 546 1HB PHE 76 1HB PHE 76 7.894 -4.881 2.231 547 2HB PHE 76 2HB PHE 76 6.879 -5.313 3.594 548 HD1 PHE 76 HD2 PHE 76 8.236 -6.735 5.486 549 HD2 PHE 76 HD1 PHE 76 9.957 -3.955 2.727 550 HE1 PHE 76 HE2 PHE 76 10.206 -6.387 7.054 551 HE2 PHE 76 HE1 PHE 76 11.921 -3.616 4.305 552 HZ PHE 76 HZ PHE 76 11.965 -4.924 6.484 553 H LYS 77 H LYS 77 5.302 -7.568 3.389 554 HA LYS 77 HA LYS 77 4.136 -8.272 0.937 555 1HB LYS 77 1HB LYS 77 3.349 -8.039 3.744 556 2HB LYS 77 2HB LYS 77 2.058 -7.574 2.654 557 1HG LYS 77 1HG LYS 77 1.876 -9.696 1.723 558 2HG LYS 77 2HG LYS 77 3.582 -10.048 1.912 559 1HD LYS 77 1HD LYS 77 3.093 -11.244 3.773 560 2HD LYS 77 2HD LYS 77 2.592 -9.761 4.560 561 1HE LYS 77 1HE LYS 77 0.362 -10.248 4.343 562 2HE LYS 77 2HE LYS 77 0.546 -10.825 2.699 563 1HZ LYS 77 1HZ LYS 77 0.758 -12.336 5.188 564 2HZ LYS 77 2HZ LYS 77 0.139 -12.801 3.755 565 H SER 78 H SER 78 3.301 -7.070 -0.693 566 HA SER 78 HA SER 78 3.237 -4.210 -0.224 567 1HB SER 78 1HB SER 78 3.545 -3.925 -2.550 568 2HB SER 78 2HB SER 78 4.532 -5.323 -2.174 569 HG SER 78 HG SER 78 3.234 -5.688 -4.070 570 H CYS 79 H CYS 79 1.392 -2.971 -1.344 571 HA CYS 79 HA CYS 79 -1.012 -3.671 -0.341 572 1HB CYS 79 1HB CYS 79 -0.581 -2.140 -2.914 573 2HB CYS 79 2HB CYS 79 -2.013 -2.095 -1.905 574 H VAL 80 H VAL 80 -0.146 -3.953 -3.873 575 HA VAL 80 HA VAL 80 -2.295 -5.660 -4.444 576 HB VAL 80 HB VAL 80 0.307 -5.101 -5.879 577 1HG1 VAL 80 3HG1 VAL 80 -0.989 -7.298 -6.442 578 2HG1 VAL 80 1HG1 VAL 80 -2.152 -6.201 -7.225 579 3HG1 VAL 80 2HG1 VAL 80 -0.456 -6.230 -7.763 580 1HG2 VAL 80 2HG2 VAL 80 -2.326 -3.743 -5.713 581 2HG2 VAL 80 3HG2 VAL 80 -0.709 -3.083 -6.056 582 3HG2 VAL 80 1HG2 VAL 80 -1.630 -3.896 -7.344 583 H GLY 81 H GLY 81 1.090 -6.202 -3.409 584 1HA GLY 81 1HA GLY 81 1.417 -8.867 -3.983 585 2HA GLY 81 2HA GLY 81 2.096 -8.042 -2.595 586 H CYS 82 H CYS 82 0.144 -7.483 -0.861 587 HA CYS 82 HA CYS 82 -0.546 -9.980 0.171 588 1HB CYS 82 1HB CYS 82 -0.189 -7.968 1.557 589 2HB CYS 82 2HB CYS 82 -1.640 -7.241 0.896 590 H HIS 83 H HIS 83 -2.369 -7.424 -1.631 591 HA HIS 83 HA HIS 83 -4.879 -8.505 -1.449 592 1HB HIS 83 1HB HIS 83 -3.488 -6.810 -3.508 593 2HB HIS 83 2HB HIS 83 -5.125 -7.366 -3.794 594 HD1 HIS 83 HD1 HIS 83 -5.998 -4.895 -3.656 595 HD2 HIS 83 HD2 HIS 83 -4.237 -6.326 -0.128 596 HE1 HIS 83 HE1 HIS 83 -6.627 -3.238 -1.821 597 H VAL 84 H VAL 84 -2.208 -9.260 -3.755 598 HA VAL 84 HA VAL 84 -3.637 -10.953 -5.415 599 HB VAL 84 HB VAL 84 -0.731 -10.969 -4.580 600 1HG1 VAL 84 2HG1 VAL 84 -1.336 -13.130 -5.550 601 2HG1 VAL 84 3HG1 VAL 84 -2.069 -12.314 -6.953 602 3HG1 VAL 84 1HG1 VAL 84 -0.314 -12.203 -6.675 603 1HG2 VAL 84 2HG2 VAL 84 -2.190 -9.059 -6.008 604 2HG2 VAL 84 3HG2 VAL 84 -0.419 -9.227 -5.946 605 3HG2 VAL 84 1HG2 VAL 84 -1.342 -10.002 -7.256 606 H GLU 85 H GLU 85 -2.107 -11.493 -2.217 607 HA GLU 85 HA GLU 85 -2.497 -14.288 -2.334 608 1HB GLU 85 1HB GLU 85 -1.427 -12.301 -0.417 609 2HB GLU 85 2HB GLU 85 -2.223 -13.655 0.361 610 1HG GLU 85 1HG GLU 85 -0.596 -14.670 -1.813 611 2HG GLU 85 2HG GLU 85 0.385 -13.590 -0.843 612 H VAL 86 H VAL 86 -4.355 -11.467 -1.191 613 HA VAL 86 HA VAL 86 -6.234 -13.013 0.289 614 HB VAL 86 HB VAL 86 -6.310 -10.186 -0.785 615 1HG1 VAL 86 3HG1 VAL 86 -8.268 -11.800 0.749 616 2HG1 VAL 86 1HG1 VAL 86 -7.947 -10.167 1.383 617 3HG1 VAL 86 2HG1 VAL 86 -8.512 -10.377 -0.292 618 1HG2 VAL 86 1HG2 VAL 86 -4.513 -11.018 0.965 619 2HG2 VAL 86 2HG2 VAL 86 -5.343 -9.457 1.176 620 3HG2 VAL 86 3HG2 VAL 86 -5.876 -10.881 2.101 621 H ALA 87 H ALA 87 -6.250 -11.357 -2.942 622 HA ALA 87 HA ALA 87 -8.811 -12.364 -3.611 623 1HB ALA 87 2HB ALA 87 -6.667 -10.728 -4.813 624 2HB ALA 87 3HB ALA 87 -7.573 -11.709 -5.990 625 3HB ALA 87 1HB ALA 87 -8.435 -10.564 -4.934 626 H GLY 88 H GLY 88 -5.811 -13.885 -3.214 627 1HA GLY 88 1HA GLY 88 -5.266 -15.534 -5.231 628 2HA GLY 88 2HA GLY 88 -5.301 -16.075 -3.565 629 H ALA 89 H ALA 89 -6.420 -16.812 -6.600 630 HA ALA 89 HA ALA 89 -8.039 -18.080 -7.418 631 1HB ALA 89 2HB ALA 89 -7.048 -19.488 -5.452 632 2HB ALA 89 3HB ALA 89 -8.589 -19.132 -4.637 633 3HB ALA 89 1HB ALA 89 -8.584 -20.004 -6.188 634 H ASP 90 H ASP 90 -9.069 -15.788 -7.575 635 HA ASP 90 HA ASP 90 -11.742 -16.107 -6.616 636 1HB ASP 90 1HB ASP 90 -10.395 -14.788 -4.836 637 2HB ASP 90 2HB ASP 90 -10.270 -13.505 -6.023 638 H ALA 91 H ALA 91 -9.254 -13.936 -8.134 639 HA ALA 91 HA ALA 91 -9.198 -12.938 -10.118 640 1HB ALA 91 3HB ALA 91 -11.106 -15.047 -10.508 641 2HB ALA 91 1HB ALA 91 -11.701 -13.592 -11.343 642 3HB ALA 91 2HB ALA 91 -10.085 -14.235 -11.720 643 H ALA 92 H ALA 92 -12.768 -13.004 -9.431 644 HA ALA 92 HA ALA 92 -13.332 -10.455 -10.132 645 1HB ALA 92 2HB ALA 92 -14.790 -12.447 -9.217 646 2HB ALA 92 3HB ALA 92 -14.568 -11.638 -7.647 647 3HB ALA 92 1HB ALA 92 -15.345 -10.771 -8.993 648 H LYS 93 H LYS 93 -11.920 -11.626 -7.032 649 HA LYS 93 HA LYS 93 -12.018 -9.086 -5.790 650 1HB LYS 93 1HB LYS 93 -10.573 -11.673 -5.203 651 2HB LYS 93 2HB LYS 93 -10.323 -10.238 -4.229 652 1HG LYS 93 1HG LYS 93 -13.120 -11.289 -4.814 653 2HG LYS 93 2HG LYS 93 -12.174 -11.908 -3.475 654 1HD LYS 93 1HD LYS 93 -12.788 -10.131 -2.213 655 2HD LYS 93 2HD LYS 93 -11.994 -9.051 -3.342 656 1HE LYS 93 1HE LYS 93 -14.151 -9.265 -4.795 657 2HE LYS 93 2HE LYS 93 -14.895 -9.977 -3.377 658 1HZ LYS 93 1HZ LYS 93 -14.667 -7.986 -2.191 659 2HZ LYS 93 2HZ LYS 93 -13.491 -7.391 -3.148 660 H LYS 94 H LYS 94 -9.628 -10.852 -7.800 661 HA LYS 94 HA LYS 94 -7.525 -9.034 -7.359 662 1HB LYS 94 1HB LYS 94 -8.093 -11.353 -9.083 663 2HB LYS 94 2HB LYS 94 -7.029 -10.171 -9.819 664 1HG LYS 94 1HG LYS 94 -5.305 -10.747 -8.455 665 2HG LYS 94 2HG LYS 94 -6.293 -10.568 -7.019 666 1HD LYS 94 1HD LYS 94 -5.749 -12.859 -6.963 667 2HD LYS 94 2HD LYS 94 -7.339 -12.876 -7.699 668 1HE LYS 94 1HE LYS 94 -5.376 -12.509 -9.797 669 2HE LYS 94 2HE LYS 94 -4.865 -13.856 -8.798 670 1HZ LYS 94 1HZ LYS 94 -7.623 -14.115 -9.204 671 2HZ LYS 94 2HZ LYS 94 -6.968 -13.812 -10.663 672 H LYS 95 H LYS 95 -10.542 -8.622 -8.845 673 HA LYS 95 HA LYS 95 -9.495 -6.662 -10.742 674 1HB LYS 95 1HB LYS 95 -11.515 -8.574 -10.940 675 2HB LYS 95 2HB LYS 95 -12.387 -7.069 -10.725 676 1HG LYS 95 1HG LYS 95 -11.457 -6.090 -12.672 677 2HG LYS 95 2HG LYS 95 -10.071 -7.162 -12.675 678 1HD LYS 95 1HD LYS 95 -12.692 -8.555 -12.925 679 2HD LYS 95 2HD LYS 95 -12.318 -7.483 -14.260 680 1HE LYS 95 1HE LYS 95 -11.079 -9.205 -15.095 681 2HE LYS 95 2HE LYS 95 -9.887 -8.782 -13.882 682 1HZ LYS 95 1HZ LYS 95 -11.560 -11.090 -13.981 683 2HZ LYS 95 2HZ LYS 95 -10.254 -10.824 -13.045 684 H ASP 96 H ASP 96 -10.714 -6.978 -7.546 685 HA ASP 96 HA ASP 96 -11.358 -4.134 -7.582 686 1HB ASP 96 1HB ASP 96 -12.880 -6.415 -6.613 687 2HB ASP 96 2HB ASP 96 -12.480 -5.381 -5.255 688 H LEU 97 H LEU 97 -9.022 -6.322 -6.843 689 HA LEU 97 HA LEU 97 -8.256 -4.897 -4.394 690 1HB LEU 97 1HB LEU 97 -8.073 -7.849 -4.985 691 2HB LEU 97 2HB LEU 97 -7.144 -7.068 -3.721 692 HG LEU 97 HG LEU 97 -10.134 -7.431 -3.895 693 1HD1 LEU 97 3HD1 LEU 97 -8.283 -9.062 -2.832 694 2HD1 LEU 97 1HD1 LEU 97 -8.579 -8.002 -1.432 695 3HD1 LEU 97 2HD1 LEU 97 -9.930 -8.889 -2.178 696 1HD2 LEU 97 2HD2 LEU 97 -8.615 -5.308 -2.485 697 2HD2 LEU 97 3HD2 LEU 97 -10.291 -5.328 -3.082 698 3HD2 LEU 97 1HD2 LEU 97 -9.883 -6.138 -1.551 699 H THR 98 H THR 98 -7.153 -6.896 -7.209 700 HA THR 98 HA THR 98 -4.659 -5.329 -7.154 701 HB THR 98 HB THR 98 -3.582 -7.305 -8.059 702 HG1 THR 98 HG1 THR 98 -5.316 -7.871 -9.534 703 1HG2 THR 98 1HG2 THR 98 -5.718 -8.270 -6.084 704 2HG2 THR 98 2HG2 THR 98 -4.221 -9.140 -6.499 705 3HG2 THR 98 3HG2 THR 98 -4.138 -7.591 -5.626 706 H GLY 99 H GLY 99 -7.594 -5.178 -8.512 707 1HA GLY 99 1HA GLY 99 -7.239 -5.273 -11.264 708 2HA GLY 99 2HA GLY 99 -8.388 -4.266 -10.405 709 H CYS 100 H CYS 100 -6.668 -3.716 -12.843 710 HA CYS 100 HA CYS 100 -4.791 -1.759 -11.879 711 1HB CYS 100 1HB CYS 100 -5.479 -2.952 -14.526 712 2HB CYS 100 2HB CYS 100 -4.740 -1.363 -14.511 713 H LYS 101 H LYS 101 -7.803 -1.891 -13.919 714 HA LYS 101 HA LYS 101 -8.367 0.842 -13.020 715 1HB LYS 101 1HB LYS 101 -7.505 1.052 -15.261 716 2HB LYS 101 2HB LYS 101 -8.543 -0.231 -15.847 717 1HG LYS 101 1HG LYS 101 -9.903 2.064 -14.467 718 2HG LYS 101 2HG LYS 101 -9.198 2.403 -16.035 719 1HD LYS 101 1HD LYS 101 -10.691 -0.142 -16.020 720 2HD LYS 101 2HD LYS 101 -11.701 1.214 -15.560 721 1HE LYS 101 1HE LYS 101 -11.450 2.295 -17.629 722 2HE LYS 101 2HE LYS 101 -9.889 1.564 -17.947 723 1HZ LYS 101 1HZ LYS 101 -12.528 0.501 -18.497 724 2HZ LYS 101 2HZ LYS 101 -11.124 0.212 -19.270 725 H LYS 102 H LYS 102 -10.429 1.161 -12.274 726 HA LYS 102 HA LYS 102 -12.599 0.779 -11.919 727 1HB LYS 102 1HB LYS 102 -12.468 -0.285 -14.327 728 2HB LYS 102 2HB LYS 102 -12.615 -1.799 -13.459 729 1HG LYS 102 1HG LYS 102 -14.600 -0.468 -12.204 730 2HG LYS 102 2HG LYS 102 -14.597 0.459 -13.692 731 1HD LYS 102 1HD LYS 102 -15.706 -1.197 -14.769 732 2HD LYS 102 2HD LYS 102 -14.425 -2.334 -14.399 733 1HE LYS 102 1HE LYS 102 -16.323 -3.309 -13.367 734 2HE LYS 102 2HE LYS 102 -15.510 -2.516 -12.032 735 1HZ LYS 102 1HZ LYS 102 -17.031 -0.644 -12.261 736 2HZ LYS 102 2HZ LYS 102 -17.750 -1.305 -13.564 737 H SER 103 H SER 103 -10.501 0.105 -10.161 738 HA SER 103 HA SER 103 -11.625 -2.299 -8.949 739 1HB SER 103 1HB SER 103 -9.133 -2.076 -7.794 740 2HB SER 103 2HB SER 103 -9.514 -3.119 -9.149 741 HG SER 103 HG SER 103 -8.599 -0.382 -9.406 742 H LYS 104 H LYS 104 -10.506 -2.133 -6.402 743 HA LYS 104 HA LYS 104 -12.037 0.002 -5.292 744 1HB LYS 104 1HB LYS 104 -10.292 -2.160 -4.088 745 2HB LYS 104 2HB LYS 104 -11.133 -0.963 -3.124 746 1HG LYS 104 1HG LYS 104 -12.827 -2.311 -5.176 747 2HG LYS 104 2HG LYS 104 -12.219 -3.374 -3.922 748 1HD LYS 104 1HD LYS 104 -13.033 -1.174 -2.436 749 2HD LYS 104 2HD LYS 104 -14.211 -1.175 -3.734 750 1HE LYS 104 1HE LYS 104 -13.542 -3.717 -2.196 751 2HE LYS 104 2HE LYS 104 -14.752 -2.589 -1.616 752 1HZ LYS 104 1HZ LYS 104 -16.191 -3.457 -3.083 753 2HZ LYS 104 2HZ LYS 104 -15.230 -3.094 -4.347 754 H CYS 105 H CYS 105 -8.667 -0.564 -6.188 755 HA CYS 105 HA CYS 105 -7.738 1.633 -4.586 756 1HB CYS 105 1HB CYS 105 -6.319 -0.094 -6.641 757 2HB CYS 105 2HB CYS 105 -5.545 1.152 -5.683 758 H HIS 106 H HIS 106 -7.629 0.822 -8.142 759 HA HIS 106 HA HIS 106 -7.751 3.687 -8.670 760 1HB HIS 106 1HB HIS 106 -6.938 1.355 -10.427 761 2HB HIS 106 2HB HIS 106 -7.012 3.022 -10.962 762 HD1 HIS 106 HD1 HIS 106 -5.536 4.657 -9.029 763 HD2 HIS 106 HD2 HIS 106 -4.365 0.711 -9.837 764 HE1 HIS 106 HE1 HIS 106 -3.086 4.483 -8.338 765 H GLU 107 H GLU 107 -9.537 4.628 -9.570 766 HA GLU 107 HA GLU 107 -11.651 2.771 -10.327 767 1HB GLU 107 1HB GLU 107 -11.765 5.612 -9.237 768 2HB GLU 107 2HB GLU 107 -13.168 4.793 -9.893 769 1HG GLU 107 1HG GLU 107 -12.096 2.892 -8.131 770 2HG GLU 107 2HG GLU 107 -11.816 4.407 -7.294 771 HHA HEC 108 HHA HEC 108 -0.922 6.591 7.307 772 HHB HEC 108 HHB HEC 108 -1.645 4.041 13.145 773 HHC HEC 108 HHC HEC 108 -2.678 -1.709 10.507 774 HHD HEC 108 HHD HEC 108 -1.110 0.736 4.709 775 1HMA HEC 108 1HMA HEC 108 -0.715 7.634 12.489 776 2HMA HEC 108 2HMA HEC 108 -2.290 6.900 12.875 777 3HMA HEC 108 3HMA HEC 108 -0.785 6.067 13.330 778 1HAA HEC 108 1HAA HEC 108 -0.493 8.014 8.630 779 2HAA HEC 108 2HAA HEC 108 -1.718 8.528 9.814 780 1HBA HEC 108 1HBA HEC 108 0.750 7.867 11.155 781 2HBA HEC 108 2HBA HEC 108 1.035 9.047 9.853 782 1HMB HEC 108 1HMB HEC 108 -3.578 2.093 14.651 783 2HMB HEC 108 2HMB HEC 108 -2.261 0.980 15.093 784 3HMB HEC 108 3HMB HEC 108 -1.893 2.668 14.666 785 HAB HEC 108 HAB HEC 108 -3.246 -1.820 12.398 786 1HBB HEC 108 1HBB HEC 108 -3.991 -0.390 14.944 787 2HBB HEC 108 2HBB HEC 108 -5.013 -0.333 13.488 788 3HBB HEC 108 3HBB HEC 108 -4.656 -1.895 14.264 789 1HMC HEC 108 1HMC HEC 108 -2.441 -3.283 9.093 790 2HMC HEC 108 2HMC HEC 108 -3.695 -3.240 7.831 791 3HMC HEC 108 3HMC HEC 108 -2.044 -3.767 7.427 792 HAC HEC 108 HAC HEC 108 -2.004 -1.146 4.390 793 1HBC HEC 108 1HBC HEC 108 -3.086 -3.104 3.966 794 2HBC HEC 108 2HBC HEC 108 -2.442 -3.912 5.415 795 3HBC HEC 108 3HBC HEC 108 -3.766 -2.733 5.569 796 1HMD HEC 108 1HMD HEC 108 0.272 3.784 2.964 797 2HMD HEC 108 2HMD HEC 108 0.189 2.068 3.428 798 3HMD HEC 108 3HMD HEC 108 -1.278 2.915 2.882 799 1HAD HEC 108 1HAD HEC 108 -0.517 6.774 5.339 800 2HAD HEC 108 2HAD HEC 108 0.917 5.974 4.651 801 1HBD HEC 108 1HBD HEC 108 -1.229 5.190 3.021 802 2HBD HEC 108 2HBD HEC 108 -1.469 6.925 3.342 803 HHA HEC 109 HHA HEC 109 11.696 -2.283 1.597 804 HHB HEC 109 HHB HEC 109 5.333 -1.536 1.314 805 HHC HEC 109 HHC HEC 109 5.721 3.378 5.410 806 HHD HEC 109 HHD HEC 109 12.180 3.182 4.915 807 1HMA HEC 109 1HMA HEC 109 5.905 -3.666 0.728 808 2HMA HEC 109 2HMA HEC 109 6.487 -3.029 -0.829 809 3HMA HEC 109 3HMA HEC 109 7.232 -4.487 -0.129 810 1HAA HEC 109 1HAA HEC 109 10.945 -3.877 0.640 811 2HAA HEC 109 2HAA HEC 109 9.479 -4.805 0.245 812 1HBA HEC 109 1HBA HEC 109 9.233 -3.455 -1.822 813 2HBA HEC 109 2HBA HEC 109 10.773 -2.649 -1.438 814 1HMB HEC 109 1HMB HEC 109 2.346 0.209 2.910 815 2HMB HEC 109 2HMB HEC 109 3.251 -0.393 1.500 816 3HMB HEC 109 3HMB HEC 109 3.190 -1.356 2.996 817 HAB HEC 109 HAB HEC 109 3.819 2.770 5.388 818 1HBB HEC 109 1HBB HEC 109 2.022 1.675 6.167 819 2HBB HEC 109 2HBB HEC 109 1.529 1.110 4.553 820 3HBB HEC 109 3HBB HEC 109 2.810 0.253 5.442 821 1HMC HEC 109 1HMC HEC 109 6.622 5.261 6.137 822 2HMC HEC 109 2HMC HEC 109 7.367 4.727 7.663 823 3HMC HEC 109 3HMC HEC 109 8.105 6.049 6.726 824 HAC HEC 109 HAC HEC 109 11.750 4.701 6.069 825 1HBC HEC 109 1HBC HEC 109 9.893 5.755 8.184 826 2HBC HEC 109 2HBC HEC 109 10.574 4.114 8.295 827 3HBC HEC 109 3HBC HEC 109 11.658 5.525 8.234 828 1HMD HEC 109 1HMD HEC 109 14.051 2.761 4.082 829 2HMD HEC 109 2HMD HEC 109 14.600 1.292 4.924 830 3HMD HEC 109 3HMD HEC 109 15.039 1.557 3.219 831 1HAD HEC 109 1HAD HEC 109 13.674 -2.001 2.086 832 2HAD HEC 109 2HAD HEC 109 14.342 -0.560 1.282 833 1HBD HEC 109 1HBD HEC 109 15.032 -0.636 4.106 834 2HBD HEC 109 2HBD HEC 109 15.564 -2.098 3.241 835 HHA HEC 110 HHA HEC 110 -10.222 -4.723 0.750 836 HHB HEC 110 HHB HEC 110 -6.410 0.168 -0.882 837 HHC HEC 110 HHC HEC 110 -1.439 -2.803 1.866 838 HHD HEC 110 HHD HEC 110 -5.175 -7.859 3.158 839 1HMA HEC 110 1HMA HEC 110 -9.106 -0.260 -2.514 840 2HMA HEC 110 2HMA HEC 110 -10.062 0.282 -1.115 841 3HMA HEC 110 3HMA HEC 110 -8.341 0.719 -1.240 842 1HAA HEC 110 1HAA HEC 110 -11.317 -1.689 -1.277 843 2HAA HEC 110 2HAA HEC 110 -11.151 -3.455 -1.133 844 1HBA HEC 110 1HBA HEC 110 -12.895 -2.550 0.334 845 2HBA HEC 110 2HBA HEC 110 -11.585 -3.327 1.254 846 1HMB HEC 110 1HMB HEC 110 -2.924 1.200 -1.401 847 2HMB HEC 110 2HMB HEC 110 -4.699 1.125 -1.498 848 3HMB HEC 110 3HMB HEC 110 -3.917 1.869 -0.084 849 HAB HEC 110 HAB HEC 110 -0.793 -1.045 1.194 850 1HBB HEC 110 1HBB HEC 110 -1.518 1.128 1.957 851 2HBB HEC 110 2HBB HEC 110 -0.131 1.309 0.856 852 3HBB HEC 110 3HBB HEC 110 -1.777 1.668 0.281 853 1HMC HEC 110 1HMC HEC 110 -0.186 -4.482 2.120 854 2HMC HEC 110 2HMC HEC 110 -0.363 -5.021 3.807 855 3HMC HEC 110 3HMC HEC 110 -0.097 -6.215 2.514 856 HAC HEC 110 HAC HEC 110 -3.260 -8.051 4.215 857 1HBC HEC 110 1HBC HEC 110 -1.103 -6.676 4.828 858 2HBC HEC 110 2HBC HEC 110 -1.194 -8.429 5.125 859 3HBC HEC 110 3HBC HEC 110 -0.324 -7.812 3.700 860 1HMD HEC 110 1HMD HEC 110 -8.714 -9.200 3.091 861 2HMD HEC 110 2HMD HEC 110 -6.948 -9.288 2.886 862 3HMD HEC 110 3HMD HEC 110 -7.638 -8.525 4.338 863 1HAD HEC 110 1HAD HEC 110 -10.389 -8.062 2.610 864 2HAD HEC 110 2HAD HEC 110 -10.895 -6.357 2.535 865 1HBD HEC 110 1HBD HEC 110 -11.514 -6.523 0.397 866 2HBD HEC 110 2HBD HEC 110 -10.062 -7.447 -0.057 867 HHA HEC 111 HHA HEC 111 0.359 5.537 -7.773 868 HHB HEC 111 HHB HEC 111 -0.580 1.939 -12.996 869 HHC HEC 111 HHC HEC 111 -3.254 -2.632 -9.385 870 HHD HEC 111 HHD HEC 111 -3.009 1.345 -4.287 871 1HMA HEC 111 1HMA HEC 111 1.125 5.340 -12.972 872 2HMA HEC 111 2HMA HEC 111 1.667 3.651 -13.120 873 3HMA HEC 111 3HMA HEC 111 0.007 4.096 -13.583 874 1HAA HEC 111 1HAA HEC 111 0.634 6.883 -10.776 875 2HAA HEC 111 2HAA HEC 111 1.371 6.374 -9.238 876 1HBA HEC 111 1HBA HEC 111 3.379 6.027 -10.174 877 2HBA HEC 111 2HBA HEC 111 2.690 5.314 -11.652 878 1HMB HEC 111 1HMB HEC 111 -0.172 -0.061 -13.927 879 2HMB HEC 111 2HMB HEC 111 -0.901 -1.681 -14.041 880 3HMB HEC 111 3HMB HEC 111 -1.871 -0.239 -14.427 881 HAB HEC 111 HAB HEC 111 -3.447 -3.156 -11.510 882 1HBB HEC 111 1HBB HEC 111 -1.550 -4.183 -10.600 883 2HBB HEC 111 2HBB HEC 111 -1.681 -4.847 -12.247 884 3HBB HEC 111 3HBB HEC 111 -0.487 -3.575 -11.892 885 1HMC HEC 111 1HMC HEC 111 -5.707 -2.768 -6.702 886 2HMC HEC 111 2HMC HEC 111 -4.573 -3.310 -7.964 887 3HMC HEC 111 3HMC HEC 111 -4.227 -3.648 -6.251 888 HAC HEC 111 HAC HEC 111 -3.938 -0.312 -3.700 889 1HBC HEC 111 1HBC HEC 111 -3.259 -2.823 -4.194 890 2HBC HEC 111 2HBC HEC 111 -4.178 -2.363 -2.740 891 3HBC HEC 111 3HBC HEC 111 -5.024 -3.053 -4.146 892 1HMD HEC 111 1HMD HEC 111 -1.239 4.421 -2.888 893 2HMD HEC 111 2HMD HEC 111 -2.724 3.470 -3.130 894 3HMD HEC 111 3HMD HEC 111 -1.173 2.643 -2.853 895 1HAD HEC 111 1HAD HEC 111 0.586 5.384 -4.163 896 2HAD HEC 111 2HAD HEC 111 0.676 5.973 -5.840 897 1HBD HEC 111 1HBD HEC 111 -1.604 6.956 -5.537 898 2HBD HEC 111 2HBD HEC 111 -1.511 6.502 -3.819 No H/Q in entry = 898 Start of MODEL 14 1 1H ALA 1 1H ALA 1 2.103 1.593 20.786 2 2H ALA 1 2H ALA 1 2.598 1.899 19.236 3 HA ALA 1 HA ALA 1 0.623 1.858 18.399 4 1HB ALA 1 1HB ALA 1 0.656 0.329 20.912 5 2HB ALA 1 2HB ALA 1 -0.986 0.772 20.386 6 3HB ALA 1 3HB ALA 1 0.081 -0.145 19.295 7 HA PRO 2 HA PRO 2 -0.972 5.654 20.167 8 1HB PRO 2 1HB PRO 2 -1.185 7.037 17.819 9 2HB PRO 2 2HB PRO 2 0.235 7.102 18.844 10 1HG PRO 2 1HG PRO 2 -0.138 5.674 16.284 11 2HG PRO 2 2HG PRO 2 1.355 6.102 17.094 12 1HD PRO 2 1HD PRO 2 0.133 3.509 17.006 13 2HD PRO 2 2HD PRO 2 1.562 3.963 17.912 14 H LYS 3 H LYS 3 -2.195 5.241 16.896 15 HA LYS 3 HA LYS 3 -4.473 3.863 17.471 16 1HB LYS 3 1HB LYS 3 -5.303 5.380 19.035 17 2HB LYS 3 2HB LYS 3 -4.731 6.780 18.151 18 1HG LYS 3 1HG LYS 3 -6.432 6.521 16.444 19 2HG LYS 3 2HG LYS 3 -6.863 4.922 17.016 20 1HD LYS 3 1HD LYS 3 -7.074 7.149 19.018 21 2HD LYS 3 2HD LYS 3 -8.238 7.170 17.708 22 1HE LYS 3 1HE LYS 3 -9.448 5.605 18.819 23 2HE LYS 3 2HE LYS 3 -8.147 4.461 18.555 24 1HZ LYS 3 1HZ LYS 3 -8.490 4.621 20.897 25 2HZ LYS 3 2HZ LYS 3 -7.097 5.418 20.621 26 H ALA 4 H ALA 4 -5.617 3.485 15.566 27 HA ALA 4 HA ALA 4 -4.335 4.263 13.191 28 1HB ALA 4 3HB ALA 4 -6.989 2.927 13.825 29 2HB ALA 4 1HB ALA 4 -6.400 3.171 12.163 30 3HB ALA 4 2HB ALA 4 -5.472 2.159 13.296 31 HA PRO 5 HA PRO 5 -6.314 8.044 12.446 32 1HB PRO 5 1HB PRO 5 -5.724 8.371 9.798 33 2HB PRO 5 2HB PRO 5 -4.596 8.748 11.085 34 1HG PRO 5 1HG PRO 5 -4.601 6.435 9.243 35 2HG PRO 5 2HG PRO 5 -3.289 7.052 10.227 36 1HD PRO 5 1HD PRO 5 -4.892 4.734 10.762 37 2HD PRO 5 2HD PRO 5 -3.658 5.418 11.802 38 H ALA 6 H ALA 6 -8.064 9.168 11.337 39 HA ALA 6 HA ALA 6 -10.283 7.538 11.163 40 1HB ALA 6 1HB ALA 6 -9.620 10.304 10.112 41 2HB ALA 6 2HB ALA 6 -11.233 9.581 9.905 42 3HB ALA 6 3HB ALA 6 -10.586 9.860 11.540 43 H ASP 7 H ASP 7 -11.721 7.617 8.983 44 HA ASP 7 HA ASP 7 -10.130 6.120 7.128 45 1HB ASP 7 1HB ASP 7 -12.370 5.307 7.819 46 2HB ASP 7 2HB ASP 7 -13.111 6.778 7.222 47 H GLY 8 H GLY 8 -10.727 6.564 4.647 48 1HA GLY 8 1HA GLY 8 -11.095 8.016 2.912 49 2HA GLY 8 2HA GLY 8 -11.370 9.328 4.041 50 H LEU 9 H LEU 9 -8.538 7.393 4.704 51 HA LEU 9 HA LEU 9 -6.858 9.639 4.188 52 1HB LEU 9 1HB LEU 9 -6.305 8.436 6.086 53 2HB LEU 9 2HB LEU 9 -6.510 6.883 5.301 54 HG LEU 9 HG LEU 9 -4.119 7.916 5.886 55 1HD1 LEU 9 3HD1 LEU 9 -4.872 5.678 4.776 56 2HD1 LEU 9 1HD1 LEU 9 -4.336 6.460 3.270 57 3HD1 LEU 9 2HD1 LEU 9 -3.189 6.232 4.612 58 1HD2 LEU 9 2HD2 LEU 9 -4.812 9.813 4.148 59 2HD2 LEU 9 3HD2 LEU 9 -3.132 9.255 4.337 60 3HD2 LEU 9 1HD2 LEU 9 -4.128 8.640 2.997 61 H LYS 10 H LYS 10 -6.515 10.199 2.085 62 HA LYS 10 HA LYS 10 -5.820 8.002 0.264 63 1HB LYS 10 1HB LYS 10 -7.105 8.929 -1.313 64 2HB LYS 10 2HB LYS 10 -7.836 9.843 -0.009 65 1HG LYS 10 1HG LYS 10 -5.852 11.538 -0.396 66 2HG LYS 10 2HG LYS 10 -5.663 10.725 -1.937 67 1HD LYS 10 1HD LYS 10 -8.483 11.316 -1.466 68 2HD LYS 10 2HD LYS 10 -7.531 12.774 -1.279 69 1HE LYS 10 1HE LYS 10 -6.665 11.197 -3.615 70 2HE LYS 10 2HE LYS 10 -8.362 11.625 -3.713 71 1HZ LYS 10 1HZ LYS 10 -7.847 13.896 -3.648 72 2HZ LYS 10 2HZ LYS 10 -6.373 13.684 -2.991 73 H MET 11 H MET 11 -4.092 8.461 -1.326 74 HA MET 11 HA MET 11 -2.278 10.517 -0.338 75 1HB MET 11 1HB MET 11 -0.407 8.838 -0.902 76 2HB MET 11 2HB MET 11 -1.388 8.405 0.483 77 1HG MET 11 1HG MET 11 -2.616 7.363 -1.953 78 2HG MET 11 2HG MET 11 -0.940 6.857 -1.874 79 1HE MET 11 3HE MET 11 0.151 5.650 0.091 80 2HE MET 11 1HE MET 11 -0.762 4.270 0.748 81 3HE MET 11 2HE MET 11 -0.633 4.494 -1.013 82 H GLU 12 H GLU 12 -2.034 12.002 -1.950 83 HA GLU 12 HA GLU 12 -2.135 10.975 -4.673 84 1HB GLU 12 1HB GLU 12 -3.828 12.734 -3.918 85 2HB GLU 12 2HB GLU 12 -2.495 13.862 -3.768 86 1HG GLU 12 1HG GLU 12 -2.829 12.336 -6.360 87 2HG GLU 12 2HG GLU 12 -3.888 13.695 -6.038 88 H ALA 13 H ALA 13 0.203 10.271 -4.087 89 HA ALA 13 HA ALA 13 2.056 12.523 -4.194 90 1HB ALA 13 2HB ALA 13 2.123 9.685 -3.263 91 2HB ALA 13 3HB ALA 13 3.631 10.345 -3.939 92 3HB ALA 13 1HB ALA 13 2.856 11.141 -2.548 93 H THR 14 H THR 14 0.419 10.283 -6.219 94 HA THR 14 HA THR 14 2.371 10.827 -8.352 95 HB THR 14 HB THR 14 2.228 8.540 -9.076 96 HG1 THR 14 HG1 THR 14 -0.008 8.597 -7.182 97 1HG2 THR 14 3HG2 THR 14 3.475 8.788 -6.842 98 2HG2 THR 14 1HG2 THR 14 1.964 8.300 -6.038 99 3HG2 THR 14 2HG2 THR 14 2.790 7.172 -7.139 100 H LYS 15 H LYS 15 1.221 10.182 -10.578 101 HA LYS 15 HA LYS 15 -0.860 12.054 -10.828 102 1HB LYS 15 1HB LYS 15 0.844 11.409 -12.572 103 2HB LYS 15 2HB LYS 15 -0.037 9.913 -12.807 104 1HG LYS 15 1HG LYS 15 -1.979 11.034 -13.627 105 2HG LYS 15 2HG LYS 15 -1.490 12.575 -12.951 106 1HD LYS 15 1HD LYS 15 0.243 12.874 -14.599 107 2HD LYS 15 2HD LYS 15 0.164 11.197 -15.103 108 1HE LYS 15 1HE LYS 15 -2.386 11.832 -15.661 109 2HE LYS 15 2HE LYS 15 -1.737 13.459 -15.728 110 1HZ LYS 15 1HZ LYS 15 -0.128 12.708 -17.383 111 2HZ LYS 15 2HZ LYS 15 -0.656 11.171 -17.287 112 H GLN 16 H GLN 16 -0.822 8.876 -9.593 113 HA GLN 16 HA GLN 16 -3.690 8.705 -10.095 114 1HB GLN 16 1HB GLN 16 -1.819 6.322 -9.765 115 2HB GLN 16 2HB GLN 16 -3.520 6.271 -10.183 116 1HG GLN 16 1HG GLN 16 -1.806 7.955 -11.969 117 2HG GLN 16 2HG GLN 16 -1.493 6.231 -12.030 118 1HE2 GLN 16 2HE2 GLN 16 -4.851 5.356 -13.090 119 2HE2 GLN 16 1HE2 GLN 16 -3.644 4.898 -11.936 120 HA PRO 17 HA PRO 17 -3.338 8.915 -5.674 121 1HB PRO 17 1HB PRO 17 -5.814 9.979 -5.217 122 2HB PRO 17 2HB PRO 17 -4.389 10.957 -5.509 123 1HG PRO 17 1HG PRO 17 -6.641 10.370 -7.333 124 2HG PRO 17 2HG PRO 17 -5.450 11.652 -7.436 125 1HD PRO 17 1HD PRO 17 -5.514 9.240 -8.987 126 2HD PRO 17 2HD PRO 17 -4.262 10.466 -9.007 127 H VAL 18 H VAL 18 -4.446 7.962 -3.783 128 HA VAL 18 HA VAL 18 -6.371 5.938 -4.578 129 HB VAL 18 HB VAL 18 -3.679 5.348 -3.341 130 1HG1 VAL 18 3HG1 VAL 18 -6.167 3.629 -3.517 131 2HG1 VAL 18 1HG1 VAL 18 -4.535 2.955 -3.291 132 3HG1 VAL 18 2HG1 VAL 18 -5.220 4.056 -2.072 133 1HG2 VAL 18 2HG2 VAL 18 -4.943 4.877 -5.998 134 2HG2 VAL 18 3HG2 VAL 18 -3.241 5.181 -5.571 135 3HG2 VAL 18 1HG2 VAL 18 -3.943 3.563 -5.333 136 H VAL 19 H VAL 19 -7.581 5.093 -2.740 137 HA VAL 19 HA VAL 19 -7.278 6.804 -0.368 138 HB VAL 19 HB VAL 19 -9.735 5.826 -1.818 139 1HG1 VAL 19 3HG1 VAL 19 -9.453 6.820 1.021 140 2HG1 VAL 19 1HG1 VAL 19 -10.966 7.023 0.106 141 3HG1 VAL 19 2HG1 VAL 19 -10.324 5.392 0.414 142 1HG2 VAL 19 1HG2 VAL 19 -8.485 8.013 -2.418 143 2HG2 VAL 19 2HG2 VAL 19 -10.247 8.082 -2.172 144 3HG2 VAL 19 3HG2 VAL 19 -9.147 8.636 -0.887 145 H PHE 20 H PHE 20 -6.545 5.654 1.337 146 HA PHE 20 HA PHE 20 -7.006 2.773 1.333 147 1HB PHE 20 1HB PHE 20 -4.727 3.959 1.674 148 2HB PHE 20 2HB PHE 20 -5.378 4.668 3.139 149 HD1 PHE 20 HD1 PHE 20 -5.217 1.223 1.632 150 HD2 PHE 20 HD2 PHE 20 -4.650 3.672 5.094 151 HE1 PHE 20 HE1 PHE 20 -4.467 -0.812 2.958 152 HE2 PHE 20 HE2 PHE 20 -3.902 1.629 6.408 153 HZ PHE 20 HZ PHE 20 -3.836 -0.503 5.400 154 H ASN 21 H ASN 21 -7.195 1.891 3.765 155 HA ASN 21 HA ASN 21 -8.884 3.593 5.338 156 1HB ASN 21 1HB ASN 21 -9.903 0.833 4.509 157 2HB ASN 21 2HB ASN 21 -10.783 2.062 5.395 158 1HD2 ASN 21 2HD2 ASN 21 -11.433 4.176 2.592 159 2HD2 ASN 21 1HD2 ASN 21 -11.080 4.171 4.288 160 H HIS 22 H HIS 22 -8.806 2.935 7.575 161 HA HIS 22 HA HIS 22 -6.950 0.738 8.073 162 1HB HIS 22 1HB HIS 22 -7.621 3.289 9.484 163 2HB HIS 22 2HB HIS 22 -7.090 1.929 10.453 164 HD1 HIS 22 HD1 HIS 22 -5.872 4.486 8.013 165 HD2 HIS 22 HD2 HIS 22 -4.384 1.097 9.987 166 HE1 HIS 22 HE1 HIS 22 -3.337 4.549 7.730 167 H SER 23 H SER 23 -10.286 1.703 8.262 168 HA SER 23 HA SER 23 -10.903 -0.049 10.419 169 1HB SER 23 1HB SER 23 -12.151 2.135 9.222 170 2HB SER 23 2HB SER 23 -13.129 0.795 8.659 171 HG SER 23 HG SER 23 -14.083 1.044 10.575 172 H THR 24 H THR 24 -9.993 -0.549 7.235 173 HA THR 24 HA THR 24 -11.792 -2.847 6.884 174 HB THR 24 HB THR 24 -10.049 -1.222 4.961 175 HG1 THR 24 HG1 THR 24 -12.003 -0.191 4.873 176 1HG2 THR 24 1HG2 THR 24 -10.307 -3.739 4.375 177 2HG2 THR 24 2HG2 THR 24 -12.054 -3.419 4.268 178 3HG2 THR 24 3HG2 THR 24 -10.928 -2.585 3.171 179 H HIS 25 H HIS 25 -8.404 -1.838 7.302 180 HA HIS 25 HA HIS 25 -7.615 -4.630 7.026 181 1HB HIS 25 1HB HIS 25 -5.939 -2.111 7.217 182 2HB HIS 25 2HB HIS 25 -5.310 -3.734 7.015 183 HD1 HIS 25 HD1 HIS 25 -7.518 -1.219 5.168 184 HD2 HIS 25 HD2 HIS 25 -5.145 -4.592 4.402 185 HE1 HIS 25 HE1 HIS 25 -7.406 -1.453 2.630 186 H LYS 26 H LYS 26 -9.266 -3.816 9.269 187 HA LYS 26 HA LYS 26 -7.653 -3.301 11.524 188 1HB LYS 26 1HB LYS 26 -10.425 -4.523 11.392 189 2HB LYS 26 2HB LYS 26 -9.673 -3.795 12.797 190 1HG LYS 26 1HG LYS 26 -9.563 -1.603 11.649 191 2HG LYS 26 2HG LYS 26 -10.201 -2.312 10.178 192 1HD LYS 26 1HD LYS 26 -12.163 -1.446 11.090 193 2HD LYS 26 2HD LYS 26 -12.211 -3.067 11.754 194 1HE LYS 26 1HE LYS 26 -10.858 -2.026 13.769 195 2HE LYS 26 2HE LYS 26 -11.415 -0.487 13.142 196 1HZ LYS 26 1HZ LYS 26 -12.856 -2.054 14.799 197 2HZ LYS 26 2HZ LYS 26 -13.516 -0.917 13.838 198 H SER 27 H SER 27 -8.818 -6.271 9.882 199 HA SER 27 HA SER 27 -7.909 -7.963 11.939 200 1HB SER 27 1HB SER 27 -8.382 -9.780 10.345 201 2HB SER 27 2HB SER 27 -9.696 -8.620 10.360 202 HG SER 27 HG SER 27 -7.547 -8.451 8.440 203 H VAL 28 H VAL 28 -6.316 -6.092 9.561 204 HA VAL 28 HA VAL 28 -4.132 -7.965 9.199 205 HB VAL 28 HB VAL 28 -4.497 -5.134 8.202 206 1HG1 VAL 28 1HG1 VAL 28 -2.609 -7.355 7.350 207 2HG1 VAL 28 2HG1 VAL 28 -2.816 -5.804 6.501 208 3HG1 VAL 28 3HG1 VAL 28 -2.170 -5.832 8.160 209 1HG2 VAL 28 2HG2 VAL 28 -5.348 -7.794 7.050 210 2HG2 VAL 28 3HG2 VAL 28 -6.301 -6.305 7.258 211 3HG2 VAL 28 1HG2 VAL 28 -5.033 -6.383 6.011 212 H LYS 29 H LYS 29 -2.089 -7.765 10.125 213 HA LYS 29 HA LYS 29 -1.996 -6.361 12.579 214 1HB LYS 29 1HB LYS 29 -0.533 -8.425 11.246 215 2HB LYS 29 2HB LYS 29 0.608 -7.189 11.736 216 1HG LYS 29 1HG LYS 29 -0.933 -7.316 13.998 217 2HG LYS 29 2HG LYS 29 -1.118 -8.961 13.424 218 1HD LYS 29 1HD LYS 29 0.954 -9.487 14.176 219 2HD LYS 29 2HD LYS 29 1.664 -8.259 13.148 220 1HE LYS 29 1HE LYS 29 1.930 -6.785 14.881 221 2HE LYS 29 2HE LYS 29 0.336 -7.114 15.532 222 1HZ LYS 29 1HZ LYS 29 2.583 -9.025 15.845 223 2HZ LYS 29 2HZ LYS 29 2.260 -7.872 16.950 224 H CYS 30 H CYS 30 -0.976 -4.443 13.149 225 HA CYS 30 HA CYS 30 -0.799 -2.498 11.179 226 1HB CYS 30 1HB CYS 30 0.604 -2.343 13.842 227 2HB CYS 30 2HB CYS 30 -0.042 -1.033 12.874 228 H GLY 31 H GLY 31 1.495 -4.872 12.484 229 1HA GLY 31 1HA GLY 31 3.835 -3.569 11.400 230 2HA GLY 31 2HA GLY 31 3.742 -5.131 12.188 231 H ASP 32 H ASP 32 1.232 -5.135 9.966 232 HA ASP 32 HA ASP 32 2.729 -6.825 8.237 233 1HB ASP 32 1HB ASP 32 0.302 -7.174 8.972 234 2HB ASP 32 2HB ASP 32 -0.142 -5.828 7.941 235 H CYS 33 H CYS 33 1.580 -3.484 8.381 236 HA CYS 33 HA CYS 33 2.318 -3.126 5.568 237 1HB CYS 33 1HB CYS 33 0.182 -1.913 7.255 238 2HB CYS 33 2HB CYS 33 0.988 -0.843 6.125 239 H HIS 34 H HIS 34 2.289 -1.518 8.838 240 HA HIS 34 HA HIS 34 4.360 0.274 8.071 241 1HB HIS 34 1HB HIS 34 3.174 -0.360 10.788 242 2HB HIS 34 2HB HIS 34 4.271 0.964 10.450 243 HD1 HIS 34 HD1 HIS 34 3.337 2.937 8.911 244 HD2 HIS 34 HD2 HIS 34 0.501 0.095 10.127 245 HE1 HIS 34 HE1 HIS 34 1.049 3.978 8.474 246 H HIS 35 H HIS 35 5.609 -1.821 7.272 247 HA HIS 35 HA HIS 35 6.741 -3.615 8.935 248 1HB HIS 35 1HB HIS 35 8.543 -3.799 7.318 249 2HB HIS 35 2HB HIS 35 6.998 -3.621 6.511 250 HD1 HIS 35 HD1 HIS 35 9.941 -1.388 7.550 251 HD2 HIS 35 HD2 HIS 35 6.989 -1.681 4.584 252 HE1 HIS 35 HE1 HIS 35 10.428 0.470 5.870 253 HA PRO 36 HA PRO 36 9.359 -1.418 11.587 254 1HB PRO 36 1HB PRO 36 11.080 -3.388 12.378 255 2HB PRO 36 2HB PRO 36 9.476 -3.188 13.055 256 1HG PRO 36 1HG PRO 36 10.435 -5.214 11.127 257 2HG PRO 36 2HG PRO 36 8.995 -5.244 12.125 258 1HD PRO 36 1HD PRO 36 9.125 -4.674 9.317 259 2HD PRO 36 2HD PRO 36 7.703 -4.591 10.338 260 H VAL 37 H VAL 37 10.679 0.192 11.056 261 HA VAL 37 HA VAL 37 12.593 -0.374 8.971 262 HB VAL 37 HB VAL 37 11.732 2.103 10.463 263 1HG1 VAL 37 2HG1 VAL 37 14.151 2.249 9.964 264 2HG1 VAL 37 3HG1 VAL 37 13.804 1.928 8.248 265 3HG1 VAL 37 1HG1 VAL 37 13.194 3.413 9.017 266 1HG2 VAL 37 2HG2 VAL 37 10.769 0.738 8.151 267 2HG2 VAL 37 3HG2 VAL 37 10.202 2.272 8.852 268 3HG2 VAL 37 1HG2 VAL 37 11.485 2.278 7.618 269 H ASN 38 H ASN 38 12.916 1.399 12.125 270 HA ASN 38 HA ASN 38 15.612 0.415 12.260 271 1HB ASN 38 1HB ASN 38 14.337 2.797 13.045 272 2HB ASN 38 2HB ASN 38 14.598 1.977 14.572 273 1HD2 ASN 38 2HD2 ASN 38 17.545 4.076 13.096 274 2HD2 ASN 38 1HD2 ASN 38 15.836 4.298 12.925 275 H GLY 39 H GLY 39 13.572 -1.607 12.528 276 1HA GLY 39 1HA GLY 39 13.223 -3.422 13.833 277 2HA GLY 39 2HA GLY 39 14.278 -2.742 15.056 278 H LYS 40 H LYS 40 12.089 -0.306 14.282 279 HA LYS 40 HA LYS 40 10.238 -1.209 16.379 280 1HB LYS 40 1HB LYS 40 10.150 0.993 17.260 281 2HB LYS 40 2HB LYS 40 11.846 0.585 17.091 282 1HG LYS 40 1HG LYS 40 11.529 1.718 14.674 283 2HG LYS 40 2HG LYS 40 10.186 2.516 15.469 284 1HD LYS 40 1HD LYS 40 12.359 2.672 17.306 285 2HD LYS 40 2HD LYS 40 13.048 3.033 15.736 286 1HE LYS 40 1HE LYS 40 12.235 5.142 15.983 287 2HE LYS 40 2HE LYS 40 10.639 4.471 15.711 288 1HZ LYS 40 1HZ LYS 40 11.203 3.960 18.368 289 2HZ LYS 40 2HZ LYS 40 11.723 5.485 18.135 290 H GLU 41 H GLU 41 8.133 -1.336 15.792 291 HA GLU 41 HA GLU 41 7.486 -0.675 13.115 292 1HB GLU 41 1HB GLU 41 6.607 -2.659 14.503 293 2HB GLU 41 2HB GLU 41 5.555 -1.515 15.311 294 1HG GLU 41 1HG GLU 41 5.251 -0.977 12.534 295 2HG GLU 41 2HG GLU 41 5.272 -2.724 12.665 296 H ASP 42 H ASP 42 7.761 1.632 12.979 297 HA ASP 42 HA ASP 42 6.334 3.282 14.790 298 1HB ASP 42 1HB ASP 42 8.470 3.989 13.731 299 2HB ASP 42 2HB ASP 42 7.735 3.890 12.144 300 H TYR 43 H TYR 43 4.715 4.982 13.887 301 HA TYR 43 HA TYR 43 3.097 3.757 11.754 302 1HB TYR 43 1HB TYR 43 2.377 5.480 14.208 303 2HB TYR 43 2HB TYR 43 1.203 4.870 13.059 304 HD1 TYR 43 HD1 TYR 43 1.320 2.197 12.715 305 HD2 TYR 43 HD2 TYR 43 2.655 4.307 16.190 306 HE1 TYR 43 HE1 TYR 43 1.068 0.083 14.105 307 HE2 TYR 43 HE2 TYR 43 2.399 2.186 17.567 308 HH TYR 43 HH TYR 43 0.627 -0.217 16.861 309 H ARG 44 H ARG 44 4.221 4.995 10.109 310 HA ARG 44 HA ARG 44 3.359 7.768 10.176 311 1HB ARG 44 1HB ARG 44 6.072 6.831 10.216 312 2HB ARG 44 2HB ARG 44 5.799 7.475 8.609 313 1HG ARG 44 1HG ARG 44 5.254 9.643 9.425 314 2HG ARG 44 2HG ARG 44 4.893 9.054 11.035 315 1HD ARG 44 1HD ARG 44 7.623 8.340 10.476 316 2HD ARG 44 2HD ARG 44 7.422 10.013 9.992 317 HE ARG 44 HE ARG 44 6.291 9.321 12.633 318 1HH1 ARG 44 2HH2 ARG 44 9.057 10.640 10.854 319 2HH1 ARG 44 1HH2 ARG 44 9.713 11.456 12.234 320 HH2 ARG 44 HH1 ARG 44 8.579 11.300 14.339 321 H LYS 45 H LYS 45 3.794 8.696 7.721 322 HA LYS 45 HA LYS 45 2.206 6.981 6.063 323 1HB LYS 45 1HB LYS 45 3.335 9.768 5.761 324 2HB LYS 45 2HB LYS 45 2.508 8.954 4.448 325 1HG LYS 45 1HG LYS 45 0.667 9.963 5.413 326 2HG LYS 45 2HG LYS 45 0.671 8.495 6.370 327 1HD LYS 45 1HD LYS 45 1.881 9.603 8.191 328 2HD LYS 45 2HD LYS 45 2.131 11.039 7.217 329 1HE LYS 45 1HE LYS 45 -0.722 10.206 7.488 330 2HE LYS 45 2HE LYS 45 0.039 10.698 8.988 331 1HZ LYS 45 1HZ LYS 45 -0.312 12.305 6.536 332 2HZ LYS 45 2HZ LYS 45 -0.738 12.689 8.061 333 H CYS 46 H CYS 46 2.822 5.908 4.170 334 HA CYS 46 HA CYS 46 5.452 4.976 4.127 335 1HB CYS 46 1HB CYS 46 3.677 4.823 1.719 336 2HB CYS 46 2HB CYS 46 4.818 3.646 2.339 337 H GLY 47 H GLY 47 3.607 7.208 1.916 338 1HA GLY 47 1HA GLY 47 5.905 7.909 0.380 339 2HA GLY 47 2HA GLY 47 4.327 8.672 0.356 340 H THR 48 H THR 48 6.911 8.238 2.887 341 HA THR 48 HA THR 48 6.619 11.100 3.485 342 HB THR 48 HB THR 48 7.185 8.595 5.048 343 HG1 THR 48 HG1 THR 48 6.054 11.264 5.526 344 1HG2 THR 48 2HG2 THR 48 8.636 11.210 5.419 345 2HG2 THR 48 3HG2 THR 48 7.932 10.460 6.872 346 3HG2 THR 48 1HG2 THR 48 9.130 9.569 5.902 347 H ALA 49 H ALA 49 8.330 12.515 3.427 348 HA ALA 49 HA ALA 49 10.334 12.018 1.597 349 1HB ALA 49 1HB ALA 49 9.472 14.123 3.374 350 2HB ALA 49 2HB ALA 49 11.245 13.987 3.441 351 3HB ALA 49 3HB ALA 49 10.431 14.244 1.879 352 H GLY 50 H GLY 50 12.180 10.836 1.660 353 1HA GLY 50 1HA GLY 50 14.221 10.291 2.725 354 2HA GLY 50 2HA GLY 50 13.429 10.368 4.287 355 H CYS 51 H CYS 51 10.973 8.916 3.138 356 HA CYS 51 HA CYS 51 12.104 6.265 3.482 357 1HB CYS 51 1HB CYS 51 9.232 7.243 3.573 358 2HB CYS 51 2HB CYS 51 9.718 5.572 3.782 359 H HIS 52 H HIS 52 9.029 6.447 1.870 360 HA HIS 52 HA HIS 52 10.300 5.506 -0.564 361 1HB HIS 52 1HB HIS 52 7.424 5.445 0.387 362 2HB HIS 52 2HB HIS 52 7.957 4.850 -1.173 363 HD1 HIS 52 HD1 HIS 52 9.900 2.865 -1.001 364 HD2 HIS 52 HD2 HIS 52 7.516 3.568 2.379 365 HE1 HIS 52 HE1 HIS 52 10.106 0.786 0.465 366 H ASP 53 H ASP 53 11.128 7.795 -0.916 367 HA ASP 53 HA ASP 53 8.989 9.469 -1.959 368 1HB ASP 53 1HB ASP 53 10.304 11.345 -1.467 369 2HB ASP 53 2HB ASP 53 10.741 10.263 -0.160 370 H SER 54 H SER 54 10.565 7.039 -3.155 371 HA SER 54 HA SER 54 12.149 8.253 -5.188 372 1HB SER 54 1HB SER 54 12.553 5.961 -4.103 373 2HB SER 54 2HB SER 54 11.197 5.364 -5.039 374 HG SER 54 HG SER 54 12.334 6.019 -6.993 375 H MET 55 H MET 55 11.033 9.420 -6.738 376 HA MET 55 HA MET 55 8.459 8.444 -7.573 377 1HB MET 55 1HB MET 55 9.829 10.987 -7.411 378 2HB MET 55 2HB MET 55 9.429 10.730 -9.098 379 1HG MET 55 1HG MET 55 7.395 11.614 -8.483 380 2HG MET 55 2HG MET 55 7.058 9.974 -7.965 381 1HE MET 55 3HE MET 55 7.892 9.080 -5.670 382 2HE MET 55 1HE MET 55 7.354 9.961 -4.220 383 3HE MET 55 2HE MET 55 6.183 9.546 -5.494 384 H ASP 56 H ASP 56 10.708 6.739 -8.230 385 HA ASP 56 HA ASP 56 10.975 7.223 -11.083 386 1HB ASP 56 1HB ASP 56 12.456 5.140 -9.426 387 2HB ASP 56 2HB ASP 56 12.890 5.737 -11.016 388 H LYS 57 H LYS 57 8.485 6.420 -10.774 389 HA LYS 57 HA LYS 57 7.738 3.933 -10.096 390 1HB LYS 57 1HB LYS 57 6.127 5.544 -10.794 391 2HB LYS 57 2HB LYS 57 6.828 5.675 -12.394 392 1HG LYS 57 1HG LYS 57 6.255 2.903 -12.024 393 2HG LYS 57 2HG LYS 57 4.859 3.763 -11.407 394 1HD LYS 57 1HD LYS 57 4.328 4.695 -13.483 395 2HD LYS 57 2HD LYS 57 5.993 4.707 -14.030 396 1HE LYS 57 1HE LYS 57 5.751 2.059 -13.936 397 2HE LYS 57 2HE LYS 57 4.032 2.397 -13.989 398 1HZ LYS 57 1HZ LYS 57 5.512 3.907 -15.939 399 2HZ LYS 57 2HZ LYS 57 5.667 2.302 -16.162 400 H LYS 58 H LYS 58 9.571 4.909 -13.010 401 HA LYS 58 HA LYS 58 9.549 2.141 -13.921 402 1HB LYS 58 1HB LYS 58 9.213 4.386 -15.336 403 2HB LYS 58 2HB LYS 58 10.962 4.313 -15.407 404 1HG LYS 58 1HG LYS 58 10.532 2.957 -17.222 405 2HG LYS 58 2HG LYS 58 10.444 1.718 -15.987 406 1HD LYS 58 1HD LYS 58 8.053 1.739 -15.958 407 2HD LYS 58 2HD LYS 58 7.965 3.298 -16.753 408 1HE LYS 58 1HE LYS 58 8.081 2.367 -18.835 409 2HE LYS 58 2HE LYS 58 9.423 1.331 -18.391 410 1HZ LYS 58 1HZ LYS 58 8.013 -0.369 -17.883 411 2HZ LYS 58 2HZ LYS 58 6.861 0.584 -17.238 412 H ASP 59 H ASP 59 10.759 1.696 -11.775 413 HA ASP 59 HA ASP 59 13.520 1.556 -12.491 414 1HB ASP 59 1HB ASP 59 13.210 3.764 -11.229 415 2HB ASP 59 2HB ASP 59 12.712 2.827 -9.835 416 H LYS 60 H LYS 60 10.961 1.172 -9.944 417 HA LYS 60 HA LYS 60 10.391 -0.520 -8.647 418 1HB LYS 60 1HB LYS 60 11.900 -2.062 -10.759 419 2HB LYS 60 2HB LYS 60 11.183 -2.867 -9.378 420 1HG LYS 60 1HG LYS 60 9.203 -2.869 -10.481 421 2HG LYS 60 2HG LYS 60 9.153 -1.126 -10.305 422 1HD LYS 60 1HD LYS 60 10.882 -1.375 -12.443 423 2HD LYS 60 2HD LYS 60 9.852 -2.771 -12.693 424 1HE LYS 60 1HE LYS 60 8.638 -0.045 -12.113 425 2HE LYS 60 2HE LYS 60 9.137 -0.468 -13.739 426 1HZ LYS 60 1HZ LYS 60 6.777 -1.036 -13.221 427 2HZ LYS 60 2HZ LYS 60 7.631 -2.332 -13.714 428 H SER 61 H SER 61 11.266 0.025 -6.686 429 HA SER 61 HA SER 61 13.504 -1.478 -5.866 430 1HB SER 61 1HB SER 61 14.267 0.847 -7.078 431 2HB SER 61 2HB SER 61 14.034 1.436 -5.445 432 HG SER 61 HG SER 61 15.498 -0.232 -4.686 433 H ALA 62 H ALA 62 14.067 -0.812 -3.452 434 HA ALA 62 HA ALA 62 11.795 -1.016 -1.939 435 1HB ALA 62 1HB ALA 62 14.319 -1.349 -1.382 436 2HB ALA 62 2HB ALA 62 14.287 0.375 -0.940 437 3HB ALA 62 3HB ALA 62 13.231 -0.780 -0.093 438 H LYS 63 H LYS 63 13.729 1.966 -2.685 439 HA LYS 63 HA LYS 63 11.991 3.682 -1.300 440 1HB LYS 63 1HB LYS 63 13.820 4.418 -3.597 441 2HB LYS 63 2HB LYS 63 13.253 5.454 -2.303 442 1HG LYS 63 1HG LYS 63 14.454 3.237 -0.994 443 2HG LYS 63 2HG LYS 63 15.527 3.611 -2.329 444 1HD LYS 63 1HD LYS 63 15.596 6.005 -1.607 445 2HD LYS 63 2HD LYS 63 14.516 5.638 -0.277 446 1HE LYS 63 1HE LYS 63 17.232 4.294 -0.667 447 2HE LYS 63 2HE LYS 63 16.983 5.700 0.350 448 1HZ LYS 63 1HZ LYS 63 16.752 3.221 1.270 449 2HZ LYS 63 2HZ LYS 63 15.901 4.452 1.913 450 H GLY 64 H GLY 64 11.825 2.081 -4.415 451 1HA GLY 64 1HA GLY 64 10.221 3.826 -5.863 452 2HA GLY 64 2HA GLY 64 10.251 2.081 -6.018 453 H TYR 65 H TYR 65 8.671 4.860 -4.445 454 HA TYR 65 HA TYR 65 6.974 3.639 -2.697 455 1HB TYR 65 1HB TYR 65 7.206 6.097 -3.112 456 2HB TYR 65 2HB TYR 65 6.605 5.907 -4.747 457 HD1 TYR 65 HD1 TYR 65 5.501 5.185 -1.228 458 HD2 TYR 65 HD2 TYR 65 4.395 6.482 -5.152 459 HE1 TYR 65 HE1 TYR 65 3.135 5.642 -0.417 460 HE2 TYR 65 HE2 TYR 65 2.032 6.934 -4.328 461 HH TYR 65 HH TYR 65 0.716 5.694 -1.866 462 H TYR 66 H TYR 66 6.613 3.985 -6.275 463 HA TYR 66 HA TYR 66 4.038 2.737 -6.257 464 1HB TYR 66 1HB TYR 66 4.584 4.336 -8.010 465 2HB TYR 66 2HB TYR 66 6.179 3.649 -8.245 466 HD1 TYR 66 HD1 TYR 66 6.400 1.406 -9.405 467 HD2 TYR 66 HD2 TYR 66 2.712 3.570 -9.270 468 HE1 TYR 66 HE1 TYR 66 5.513 0.031 -11.351 469 HE2 TYR 66 HE2 TYR 66 1.837 2.187 -11.216 470 HH TYR 66 HH TYR 66 3.908 0.146 -13.049 471 H HIS 67 H HIS 67 7.045 1.494 -5.593 472 HA HIS 67 HA HIS 67 6.539 -0.966 -7.085 473 1HB HIS 67 1HB HIS 67 8.702 -0.521 -7.588 474 2HB HIS 67 2HB HIS 67 8.965 0.443 -6.148 475 HD1 HIS 67 HD1 HIS 67 9.463 -2.952 -7.543 476 HD2 HIS 67 HD2 HIS 67 9.579 -1.122 -3.770 477 HE1 HIS 67 HE1 HIS 67 10.672 -4.581 -5.995 478 H VAL 68 H VAL 68 6.071 0.524 -4.055 479 HA VAL 68 HA VAL 68 6.129 -2.075 -2.692 480 HB VAL 68 HB VAL 68 5.933 -0.510 -0.645 481 1HG1 VAL 68 1HG1 VAL 68 7.941 -1.876 -1.450 482 2HG1 VAL 68 2HG1 VAL 68 8.551 -0.360 -2.156 483 3HG1 VAL 68 3HG1 VAL 68 8.285 -0.480 -0.400 484 1HG2 VAL 68 1HG2 VAL 68 5.422 1.527 -2.006 485 2HG2 VAL 68 2HG2 VAL 68 6.797 1.727 -0.894 486 3HG2 VAL 68 3HG2 VAL 68 7.088 1.473 -2.632 487 H MET 69 H MET 69 4.082 -0.422 -4.558 488 HA MET 69 HA MET 69 1.842 -0.885 -2.743 489 1HB MET 69 1HB MET 69 2.024 1.051 -5.118 490 2HB MET 69 2HB MET 69 0.647 0.890 -4.047 491 1HG MET 69 1HG MET 69 3.382 1.551 -2.903 492 2HG MET 69 2HG MET 69 2.404 2.818 -3.617 493 1HE MET 69 2HE MET 69 3.457 2.846 -0.870 494 2HE MET 69 3HE MET 69 2.288 2.637 0.456 495 3HE MET 69 1HE MET 69 3.152 1.225 -0.200 496 H HIS 70 H HIS 70 3.493 -1.935 -5.531 497 HA HIS 70 HA HIS 70 1.120 -3.423 -6.347 498 1HB HIS 70 1HB HIS 70 3.054 -2.255 -8.355 499 2HB HIS 70 2HB HIS 70 1.526 -3.056 -8.667 500 HD1 HIS 70 HD1 HIS 70 2.861 0.166 -7.105 501 HD2 HIS 70 HD2 HIS 70 -0.659 -1.379 -8.784 502 HE1 HIS 70 HE1 HIS 70 1.240 2.127 -7.299 503 H ASP 71 H ASP 71 4.675 -3.055 -7.048 504 HA ASP 71 HA ASP 71 5.289 -5.466 -7.866 505 1HB ASP 71 1HB ASP 71 6.720 -3.354 -6.880 506 2HB ASP 71 2HB ASP 71 7.010 -4.515 -5.600 507 H LYS 72 H LYS 72 5.533 -7.596 -6.994 508 HA LYS 72 HA LYS 72 4.519 -7.907 -4.262 509 1HB LYS 72 1HB LYS 72 4.671 -10.088 -6.343 510 2HB LYS 72 2HB LYS 72 3.689 -10.023 -4.893 511 1HG LYS 72 1HG LYS 72 2.384 -8.121 -5.851 512 2HG LYS 72 2HG LYS 72 3.377 -8.157 -7.294 513 1HD LYS 72 1HD LYS 72 2.635 -10.733 -7.348 514 2HD LYS 72 2HD LYS 72 1.307 -10.152 -6.365 515 1HE LYS 72 1HE LYS 72 0.336 -9.010 -8.110 516 2HE LYS 72 2HE LYS 72 1.873 -8.446 -8.734 517 1HZ LYS 72 1HZ LYS 72 1.202 -11.300 -9.006 518 2HZ LYS 72 2HZ LYS 72 0.538 -10.237 -10.045 519 H ASN 73 H ASN 73 7.203 -8.594 -6.509 520 HA ASN 73 HA ASN 73 8.507 -10.385 -4.812 521 1HB ASN 73 1HB ASN 73 8.875 -9.777 -7.377 522 2HB ASN 73 2HB ASN 73 9.968 -8.557 -6.755 523 1HD2 ASN 73 2HD2 ASN 73 12.621 -10.725 -6.386 524 2HD2 ASN 73 1HD2 ASN 73 11.988 -9.135 -6.658 525 H THR 74 H THR 74 7.966 -8.793 -2.843 526 HA THR 74 HA THR 74 10.319 -7.067 -2.466 527 HB THR 74 HB THR 74 8.772 -5.502 -1.243 528 HG1 THR 74 HG1 THR 74 6.413 -6.110 -1.789 529 1HG2 THR 74 1HG2 THR 74 8.912 -5.819 -4.047 530 2HG2 THR 74 2HG2 THR 74 7.167 -5.765 -3.699 531 3HG2 THR 74 3HG2 THR 74 8.219 -4.423 -3.187 532 H LYS 75 H LYS 75 11.071 -6.856 -0.272 533 HA LYS 75 HA LYS 75 11.019 -9.325 1.068 534 1HB LYS 75 1HB LYS 75 12.981 -8.000 1.204 535 2HB LYS 75 2HB LYS 75 12.100 -6.587 1.749 536 1HG LYS 75 1HG LYS 75 11.534 -7.719 3.881 537 2HG LYS 75 2HG LYS 75 12.310 -9.192 3.333 538 1HD LYS 75 1HD LYS 75 14.155 -8.368 4.407 539 2HD LYS 75 2HD LYS 75 14.360 -7.395 2.964 540 1HE LYS 75 1HE LYS 75 13.276 -5.484 3.971 541 2HE LYS 75 2HE LYS 75 12.646 -6.443 5.296 542 1HZ LYS 75 1HZ LYS 75 15.038 -5.083 5.286 543 2HZ LYS 75 2HZ LYS 75 14.567 -6.164 6.410 544 H PHE 76 H PHE 76 8.964 -6.479 1.152 545 HA PHE 76 HA PHE 76 7.640 -7.584 3.537 546 1HB PHE 76 1HB PHE 76 7.883 -4.770 2.307 547 2HB PHE 76 2HB PHE 76 6.819 -5.118 3.655 548 HD1 PHE 76 HD2 PHE 76 8.111 -6.445 5.667 549 HD2 PHE 76 HD1 PHE 76 9.920 -3.804 2.829 550 HE1 PHE 76 HE2 PHE 76 10.025 -6.009 7.283 551 HE2 PHE 76 HE1 PHE 76 11.828 -3.377 4.454 552 HZ PHE 76 HZ PHE 76 11.800 -4.570 6.698 553 H LYS 77 H LYS 77 5.260 -7.360 3.596 554 HA LYS 77 HA LYS 77 4.123 -8.219 1.172 555 1HB LYS 77 1HB LYS 77 2.993 -7.425 3.859 556 2HB LYS 77 2HB LYS 77 1.958 -7.893 2.525 557 1HG LYS 77 1HG LYS 77 2.709 -10.109 2.524 558 2HG LYS 77 2HG LYS 77 4.290 -9.692 3.156 559 1HD LYS 77 1HD LYS 77 3.616 -9.958 5.318 560 2HD LYS 77 2HD LYS 77 2.160 -9.016 5.069 561 1HE LYS 77 1HE LYS 77 0.862 -10.875 4.698 562 2HE LYS 77 2HE LYS 77 2.089 -11.664 3.728 563 1HZ LYS 77 1HZ LYS 77 1.575 -11.955 6.536 564 2HZ LYS 77 2HZ LYS 77 2.401 -12.946 5.542 565 H SER 78 H SER 78 3.326 -7.098 -0.530 566 HA SER 78 HA SER 78 3.215 -4.222 -0.194 567 1HB SER 78 1HB SER 78 3.565 -4.039 -2.522 568 2HB SER 78 2HB SER 78 4.556 -5.411 -2.068 569 HG SER 78 HG SER 78 3.169 -5.714 -4.010 570 H CYS 79 H CYS 79 1.356 -3.017 -1.181 571 HA CYS 79 HA CYS 79 -1.045 -3.765 -0.264 572 1HB CYS 79 1HB CYS 79 -0.637 -2.231 -2.838 573 2HB CYS 79 2HB CYS 79 -2.049 -2.186 -1.802 574 H VAL 80 H VAL 80 -0.116 -4.030 -3.782 575 HA VAL 80 HA VAL 80 -2.237 -5.754 -4.399 576 HB VAL 80 HB VAL 80 0.396 -5.202 -5.778 577 1HG1 VAL 80 2HG1 VAL 80 -1.806 -7.046 -6.436 578 2HG1 VAL 80 3HG1 VAL 80 -1.371 -5.928 -7.751 579 3HG1 VAL 80 1HG1 VAL 80 -0.132 -6.990 -7.040 580 1HG2 VAL 80 2HG2 VAL 80 -1.153 -3.254 -5.394 581 2HG2 VAL 80 3HG2 VAL 80 -0.801 -3.604 -7.103 582 3HG2 VAL 80 1HG2 VAL 80 -2.359 -4.096 -6.397 583 H GLY 81 H GLY 81 1.112 -6.272 -3.254 584 1HA GLY 81 1HA GLY 81 1.464 -8.943 -3.825 585 2HA GLY 81 2HA GLY 81 2.118 -8.107 -2.431 586 H CYS 82 H CYS 82 0.186 -7.566 -0.702 587 HA CYS 82 HA CYS 82 -0.546 -10.063 0.297 588 1HB CYS 82 1HB CYS 82 -0.159 -8.093 1.720 589 2HB CYS 82 2HB CYS 82 -1.577 -7.309 1.054 590 H HIS 83 H HIS 83 -2.331 -7.451 -1.464 591 HA HIS 83 HA HIS 83 -4.856 -8.500 -1.301 592 1HB HIS 83 1HB HIS 83 -3.435 -6.774 -3.307 593 2HB HIS 83 2HB HIS 83 -5.065 -7.323 -3.642 594 HD1 HIS 83 HD1 HIS 83 -6.021 -4.908 -3.451 595 HD2 HIS 83 HD2 HIS 83 -4.180 -6.313 0.047 596 HE1 HIS 83 HE1 HIS 83 -6.669 -3.278 -1.598 597 H VAL 84 H VAL 84 -2.197 -9.249 -3.623 598 HA VAL 84 HA VAL 84 -3.647 -10.891 -5.314 599 HB VAL 84 HB VAL 84 -0.747 -10.866 -4.473 600 1HG1 VAL 84 1HG1 VAL 84 -2.118 -12.936 -5.872 601 2HG1 VAL 84 2HG1 VAL 84 -1.108 -12.065 -7.051 602 3HG1 VAL 84 3HG1 VAL 84 -0.370 -12.759 -5.588 603 1HG2 VAL 84 2HG2 VAL 84 -2.212 -9.069 -5.987 604 2HG2 VAL 84 3HG2 VAL 84 -0.443 -9.262 -6.012 605 3HG2 VAL 84 1HG2 VAL 84 -1.447 -10.105 -7.216 606 H GLU 85 H GLU 85 -2.125 -11.519 -2.126 607 HA GLU 85 HA GLU 85 -2.582 -14.303 -2.297 608 1HB GLU 85 1HB GLU 85 -1.441 -12.384 -0.353 609 2HB GLU 85 2HB GLU 85 -2.265 -13.732 0.406 610 1HG GLU 85 1HG GLU 85 -0.690 -14.752 -1.801 611 2HG GLU 85 2HG GLU 85 0.331 -13.711 -0.829 612 H VAL 86 H VAL 86 -4.350 -11.459 -1.068 613 HA VAL 86 HA VAL 86 -6.253 -12.982 0.400 614 HB VAL 86 HB VAL 86 -6.275 -10.139 -0.633 615 1HG1 VAL 86 1HG1 VAL 86 -8.447 -11.580 0.293 616 2HG1 VAL 86 2HG1 VAL 86 -7.871 -10.740 1.753 617 3HG1 VAL 86 3HG1 VAL 86 -8.291 -9.807 0.297 618 1HG2 VAL 86 2HG2 VAL 86 -4.551 -11.184 1.192 619 2HG2 VAL 86 3HG2 VAL 86 -5.115 -9.496 1.200 620 3HG2 VAL 86 1HG2 VAL 86 -5.898 -10.700 2.251 621 H ALA 87 H ALA 87 -6.299 -11.242 -2.789 622 HA ALA 87 HA ALA 87 -8.879 -12.128 -3.460 623 1HB ALA 87 1HB ALA 87 -6.530 -11.117 -5.110 624 2HB ALA 87 2HB ALA 87 -8.163 -11.390 -5.765 625 3HB ALA 87 3HB ALA 87 -7.906 -10.170 -4.495 626 H GLY 88 H GLY 88 -5.603 -13.506 -3.811 627 1HA GLY 88 1HA GLY 88 -4.880 -15.486 -4.598 628 2HA GLY 88 2HA GLY 88 -6.389 -16.129 -3.981 629 H ALA 89 H ALA 89 -7.832 -16.999 -5.422 630 HA ALA 89 HA ALA 89 -7.570 -16.151 -8.222 631 1HB ALA 89 1HB ALA 89 -7.304 -18.842 -6.986 632 2HB ALA 89 2HB ALA 89 -8.327 -18.761 -8.440 633 3HB ALA 89 3HB ALA 89 -6.636 -18.211 -8.510 634 H ASP 90 H ASP 90 -9.341 -14.705 -7.042 635 HA ASP 90 HA ASP 90 -11.843 -16.189 -7.097 636 1HB ASP 90 1HB ASP 90 -11.569 -15.048 -4.997 637 2HB ASP 90 2HB ASP 90 -10.980 -13.592 -5.774 638 H ALA 91 H ALA 91 -9.843 -13.729 -8.612 639 HA ALA 91 HA ALA 91 -10.085 -12.717 -10.589 640 1HB ALA 91 3HB ALA 91 -12.084 -14.663 -10.727 641 2HB ALA 91 1HB ALA 91 -12.944 -13.143 -11.072 642 3HB ALA 91 2HB ALA 91 -11.540 -13.616 -12.059 643 H ALA 92 H ALA 92 -13.473 -12.388 -9.351 644 HA ALA 92 HA ALA 92 -13.801 -9.761 -9.760 645 1HB ALA 92 1HB ALA 92 -15.412 -11.500 -8.797 646 2HB ALA 92 2HB ALA 92 -14.703 -11.135 -7.206 647 3HB ALA 92 3HB ALA 92 -15.538 -9.858 -8.122 648 H LYS 93 H LYS 93 -12.376 -11.219 -6.751 649 HA LYS 93 HA LYS 93 -11.739 -8.690 -5.658 650 1HB LYS 93 1HB LYS 93 -10.938 -11.529 -4.996 651 2HB LYS 93 2HB LYS 93 -10.314 -10.153 -4.108 652 1HG LYS 93 1HG LYS 93 -13.293 -10.697 -4.509 653 2HG LYS 93 2HG LYS 93 -12.394 -11.210 -3.095 654 1HD LYS 93 1HD LYS 93 -12.558 -9.147 -2.167 655 2HD LYS 93 2HD LYS 93 -11.843 -8.402 -3.582 656 1HE LYS 93 1HE LYS 93 -13.882 -7.448 -3.935 657 2HE LYS 93 2HE LYS 93 -14.405 -9.026 -4.487 658 1HZ LYS 93 1HZ LYS 93 -15.878 -8.803 -2.789 659 2HZ LYS 93 2HZ LYS 93 -14.659 -9.289 -1.824 660 H LYS 94 H LYS 94 -10.070 -11.037 -7.772 661 HA LYS 94 HA LYS 94 -7.512 -9.908 -7.512 662 1HB LYS 94 1HB LYS 94 -8.235 -12.202 -8.443 663 2HB LYS 94 2HB LYS 94 -8.540 -11.364 -9.950 664 1HG LYS 94 1HG LYS 94 -6.021 -10.397 -9.228 665 2HG LYS 94 2HG LYS 94 -5.959 -12.058 -8.673 666 1HD LYS 94 1HD LYS 94 -6.783 -12.786 -10.972 667 2HD LYS 94 2HD LYS 94 -6.647 -11.120 -11.497 668 1HE LYS 94 1HE LYS 94 -4.188 -12.008 -10.155 669 2HE LYS 94 2HE LYS 94 -4.592 -13.062 -11.496 670 1HZ LYS 94 1HZ LYS 94 -3.576 -10.427 -11.609 671 2HZ LYS 94 2HZ LYS 94 -3.808 -11.464 -12.843 672 H LYS 95 H LYS 95 -10.401 -8.637 -8.790 673 HA LYS 95 HA LYS 95 -8.844 -6.769 -10.441 674 1HB LYS 95 1HB LYS 95 -10.793 -8.474 -11.356 675 2HB LYS 95 2HB LYS 95 -11.723 -7.025 -11.030 676 1HG LYS 95 1HG LYS 95 -10.491 -5.717 -12.566 677 2HG LYS 95 2HG LYS 95 -9.088 -6.765 -12.495 678 1HD LYS 95 1HD LYS 95 -11.202 -8.417 -13.438 679 2HD LYS 95 2HD LYS 95 -11.398 -6.897 -14.286 680 1HE LYS 95 1HE LYS 95 -8.619 -7.340 -14.371 681 2HE LYS 95 2HE LYS 95 -9.294 -8.943 -14.583 682 1HZ LYS 95 1HZ LYS 95 -9.821 -8.372 -16.675 683 2HZ LYS 95 2HZ LYS 95 -10.781 -7.160 -16.165 684 H ASP 96 H ASP 96 -10.526 -7.256 -7.554 685 HA ASP 96 HA ASP 96 -11.343 -4.460 -7.513 686 1HB ASP 96 1HB ASP 96 -12.539 -6.938 -6.510 687 2HB ASP 96 2HB ASP 96 -12.326 -5.793 -5.201 688 H LEU 97 H LEU 97 -8.951 -6.689 -6.562 689 HA LEU 97 HA LEU 97 -8.233 -5.034 -4.242 690 1HB LEU 97 1HB LEU 97 -7.972 -8.006 -4.663 691 2HB LEU 97 2HB LEU 97 -7.041 -7.140 -3.457 692 HG LEU 97 HG LEU 97 -10.019 -7.594 -3.567 693 1HD1 LEU 97 2HD1 LEU 97 -8.488 -9.265 -2.493 694 2HD1 LEU 97 3HD1 LEU 97 -8.050 -8.013 -1.306 695 3HD1 LEU 97 1HD1 LEU 97 -9.732 -8.586 -1.416 696 1HD2 LEU 97 2HD2 LEU 97 -8.546 -5.479 -1.987 697 2HD2 LEU 97 3HD2 LEU 97 -9.925 -5.276 -3.095 698 3HD2 LEU 97 1HD2 LEU 97 -10.152 -6.097 -1.532 699 H THR 98 H THR 98 -7.126 -6.974 -7.069 700 HA THR 98 HA THR 98 -4.647 -5.380 -7.009 701 HB THR 98 HB THR 98 -3.479 -7.345 -7.787 702 HG1 THR 98 HG1 THR 98 -6.193 -8.450 -7.988 703 1HG2 THR 98 1HG2 THR 98 -5.648 -8.257 -5.823 704 2HG2 THR 98 2HG2 THR 98 -4.192 -9.198 -6.228 705 3HG2 THR 98 3HG2 THR 98 -4.037 -7.635 -5.389 706 H GLY 99 H GLY 99 -7.436 -4.964 -8.265 707 1HA GLY 99 1HA GLY 99 -7.211 -5.329 -11.045 708 2HA GLY 99 2HA GLY 99 -8.267 -4.207 -10.211 709 H CYS 100 H CYS 100 -6.864 -3.689 -12.714 710 HA CYS 100 HA CYS 100 -4.765 -1.848 -11.900 711 1HB CYS 100 1HB CYS 100 -5.462 -3.286 -14.391 712 2HB CYS 100 2HB CYS 100 -4.843 -1.660 -14.604 713 H LYS 101 H LYS 101 -7.934 -2.062 -13.636 714 HA LYS 101 HA LYS 101 -8.302 0.784 -13.063 715 1HB LYS 101 1HB LYS 101 -7.553 0.470 -15.435 716 2HB LYS 101 2HB LYS 101 -8.979 -0.507 -15.721 717 1HG LYS 101 1HG LYS 101 -10.294 1.560 -14.728 718 2HG LYS 101 2HG LYS 101 -8.822 2.450 -15.062 719 1HD LYS 101 1HD LYS 101 -9.666 0.738 -17.325 720 2HD LYS 101 2HD LYS 101 -10.869 1.938 -16.895 721 1HE LYS 101 1HE LYS 101 -9.498 3.091 -18.443 722 2HE LYS 101 2HE LYS 101 -8.899 3.653 -16.895 723 1HZ LYS 101 1HZ LYS 101 -7.362 1.496 -17.265 724 2HZ LYS 101 2HZ LYS 101 -7.590 1.917 -18.822 725 H LYS 102 H LYS 102 -10.400 1.355 -12.450 726 HA LYS 102 HA LYS 102 -12.457 1.070 -11.700 727 1HB LYS 102 1HB LYS 102 -12.452 -1.199 -13.700 728 2HB LYS 102 2HB LYS 102 -13.859 -0.799 -12.736 729 1HG LYS 102 1HG LYS 102 -12.901 1.680 -13.782 730 2HG LYS 102 2HG LYS 102 -12.830 0.540 -15.111 731 1HD LYS 102 1HD LYS 102 -15.236 -0.136 -14.529 732 2HD LYS 102 2HD LYS 102 -15.268 1.205 -13.401 733 1HE LYS 102 1HE LYS 102 -15.863 2.560 -15.121 734 2HE LYS 102 2HE LYS 102 -14.264 2.327 -15.799 735 1HZ LYS 102 1HZ LYS 102 -15.872 1.646 -17.424 736 2HZ LYS 102 2HZ LYS 102 -15.170 0.277 -16.890 737 H SER 103 H SER 103 -10.404 0.299 -10.044 738 HA SER 103 HA SER 103 -11.477 -2.151 -8.877 739 1HB SER 103 1HB SER 103 -8.993 -1.866 -7.715 740 2HB SER 103 2HB SER 103 -9.339 -2.890 -9.094 741 HG SER 103 HG SER 103 -8.505 -0.119 -9.269 742 H LYS 104 H LYS 104 -10.387 -2.027 -6.325 743 HA LYS 104 HA LYS 104 -11.981 0.032 -5.161 744 1HB LYS 104 1HB LYS 104 -10.113 -1.990 -3.885 745 2HB LYS 104 2HB LYS 104 -11.266 -0.982 -3.034 746 1HG LYS 104 1HG LYS 104 -12.252 -2.701 -5.320 747 2HG LYS 104 2HG LYS 104 -11.908 -3.465 -3.780 748 1HD LYS 104 1HD LYS 104 -13.370 -1.172 -3.060 749 2HD LYS 104 2HD LYS 104 -14.151 -1.706 -4.534 750 1HE LYS 104 1HE LYS 104 -13.492 -3.779 -2.436 751 2HE LYS 104 2HE LYS 104 -14.851 -2.711 -2.148 752 1HZ LYS 104 1HZ LYS 104 -14.701 -4.905 -3.943 753 2HZ LYS 104 2HZ LYS 104 -16.017 -4.052 -3.501 754 H CYS 105 H CYS 105 -8.570 -0.453 -5.990 755 HA CYS 105 HA CYS 105 -7.718 1.726 -4.333 756 1HB CYS 105 1HB CYS 105 -6.206 0.166 -6.455 757 2HB CYS 105 2HB CYS 105 -5.502 1.321 -5.340 758 H HIS 106 H HIS 106 -7.613 1.021 -7.912 759 HA HIS 106 HA HIS 106 -7.680 3.892 -8.371 760 1HB HIS 106 1HB HIS 106 -7.070 1.564 -10.212 761 2HB HIS 106 2HB HIS 106 -7.097 3.242 -10.716 762 HD1 HIS 106 HD1 HIS 106 -5.431 4.794 -8.907 763 HD2 HIS 106 HD2 HIS 106 -4.519 0.777 -9.701 764 HE1 HIS 106 HE1 HIS 106 -2.964 4.495 -8.333 765 H GLU 107 H GLU 107 -9.276 4.894 -9.700 766 HA GLU 107 HA GLU 107 -11.479 3.182 -10.473 767 1HB GLU 107 1HB GLU 107 -11.723 5.625 -8.670 768 2HB GLU 107 2HB GLU 107 -13.090 4.922 -9.512 769 1HG GLU 107 1HG GLU 107 -11.392 3.007 -7.953 770 2HG GLU 107 2HG GLU 107 -12.307 4.161 -7.004 771 HHA HEC 108 HHA HEC 108 -0.848 6.558 7.512 772 HHB HEC 108 HHB HEC 108 -1.400 3.925 13.332 773 HHC HEC 108 HHC HEC 108 -2.747 -1.737 10.649 774 HHD HEC 108 HHD HEC 108 -1.188 0.743 4.839 775 1HMA HEC 108 1HMA HEC 108 -0.818 5.832 13.579 776 2HMA HEC 108 2HMA HEC 108 -0.116 7.271 12.802 777 3HMA HEC 108 3HMA HEC 108 -1.881 7.123 12.972 778 1HAA HEC 108 1HAA HEC 108 -0.332 7.945 8.834 779 2HAA HEC 108 2HAA HEC 108 -1.446 8.479 10.116 780 1HBA HEC 108 1HBA HEC 108 1.076 7.684 11.264 781 2HBA HEC 108 2HBA HEC 108 1.328 8.873 9.964 782 1HMB HEC 108 1HMB HEC 108 -1.488 2.054 15.011 783 2HMB HEC 108 2HMB HEC 108 -3.160 2.583 14.703 784 3HMB HEC 108 3HMB HEC 108 -2.834 0.904 15.195 785 HAB HEC 108 HAB HEC 108 -3.303 -1.843 12.537 786 1HBB HEC 108 1HBB HEC 108 -4.661 0.134 14.038 787 2HBB HEC 108 2HBB HEC 108 -5.091 -1.578 13.810 788 3HBB HEC 108 3HBB HEC 108 -4.075 -1.092 15.188 789 1HMC HEC 108 1HMC HEC 108 -3.495 -3.386 7.763 790 2HMC HEC 108 2HMC HEC 108 -1.761 -3.791 7.763 791 3HMC HEC 108 3HMC HEC 108 -2.553 -3.266 9.268 792 HAC HEC 108 HAC HEC 108 -2.026 -1.166 4.535 793 1HBC HEC 108 1HBC HEC 108 -3.105 -3.114 4.143 794 2HBC HEC 108 2HBC HEC 108 -2.314 -3.961 5.493 795 3HBC HEC 108 3HBC HEC 108 -3.668 -2.851 5.811 796 1HMD HEC 108 1HMD HEC 108 -0.034 2.064 3.508 797 2HMD HEC 108 2HMD HEC 108 -1.459 3.021 3.038 798 3HMD HEC 108 3HMD HEC 108 0.148 3.783 3.086 799 1HAD HEC 108 1HAD HEC 108 -0.573 6.772 5.525 800 2HAD HEC 108 2HAD HEC 108 0.825 5.985 4.754 801 1HBD HEC 108 1HBD HEC 108 -1.416 5.228 3.233 802 2HBD HEC 108 2HBD HEC 108 -1.612 6.963 3.578 803 HHA HEC 109 HHA HEC 109 11.682 -2.158 1.619 804 HHB HEC 109 HHB HEC 109 5.310 -1.507 1.321 805 HHC HEC 109 HHC HEC 109 5.616 3.432 5.394 806 HHD HEC 109 HHD HEC 109 12.074 3.415 4.762 807 1HMA HEC 109 1HMA HEC 109 5.886 -2.947 -0.060 808 2HMA HEC 109 2HMA HEC 109 7.228 -3.892 -0.749 809 3HMA HEC 109 3HMA HEC 109 6.528 -4.353 0.822 810 1HAA HEC 109 1HAA HEC 109 10.957 -3.791 0.717 811 2HAA HEC 109 2HAA HEC 109 9.505 -4.760 0.368 812 1HBA HEC 109 1HBA HEC 109 9.217 -3.470 -1.739 813 2HBA HEC 109 2HBA HEC 109 10.758 -2.647 -1.399 814 1HMB HEC 109 1HMB HEC 109 3.176 -1.352 2.967 815 2HMB HEC 109 2HMB HEC 109 2.292 0.193 2.919 816 3HMB HEC 109 3HMB HEC 109 3.194 -0.361 1.488 817 HAB HEC 109 HAB HEC 109 3.720 2.805 5.358 818 1HBB HEC 109 1HBB HEC 109 1.930 1.691 6.118 819 2HBB HEC 109 2HBB HEC 109 1.443 1.148 4.494 820 3HBB HEC 109 3HBB HEC 109 2.720 0.278 5.378 821 1HMC HEC 109 1HMC HEC 109 7.936 5.502 7.516 822 2HMC HEC 109 2HMC HEC 109 7.335 6.160 5.975 823 3HMC HEC 109 3HMC HEC 109 6.468 4.824 6.771 824 HAC HEC 109 HAC HEC 109 11.635 4.919 5.941 825 1HBC HEC 109 1HBC HEC 109 10.375 4.353 8.184 826 2HBC HEC 109 2HBC HEC 109 11.597 5.644 8.107 827 3HBC HEC 109 3HBC HEC 109 9.865 6.054 8.064 828 1HMD HEC 109 1HMD HEC 109 13.896 2.622 4.751 829 2HMD HEC 109 2HMD HEC 109 14.806 1.096 4.635 830 3HMD HEC 109 3HMD HEC 109 14.734 2.197 3.239 831 1HAD HEC 109 1HAD HEC 109 13.604 -1.923 2.216 832 2HAD HEC 109 2HAD HEC 109 14.429 -0.502 1.533 833 1HBD HEC 109 1HBD HEC 109 14.730 -0.892 4.453 834 2HBD HEC 109 2HBD HEC 109 15.498 -2.110 3.407 835 HHA HEC 110 HHA HEC 110 -10.216 -4.752 0.974 836 HHB HEC 110 HHB HEC 110 -6.386 0.105 -0.717 837 HHC HEC 110 HHC HEC 110 -1.460 -2.797 2.169 838 HHD HEC 110 HHD HEC 110 -5.163 -7.921 3.326 839 1HMA HEC 110 1HMA HEC 110 -8.161 0.462 -1.485 840 2HMA HEC 110 2HMA HEC 110 -9.578 -0.366 -2.175 841 3HMA HEC 110 3HMA HEC 110 -9.721 0.507 -0.630 842 1HAA HEC 110 1HAA HEC 110 -11.215 -2.080 -1.379 843 2HAA HEC 110 2HAA HEC 110 -11.223 -3.593 -0.441 844 1HBA HEC 110 1HBA HEC 110 -11.235 -1.478 1.435 845 2HBA HEC 110 2HBA HEC 110 -12.423 -1.066 0.175 846 1HMB HEC 110 1HMB HEC 110 -4.712 1.028 -1.353 847 2HMB HEC 110 2HMB HEC 110 -3.747 1.783 -0.062 848 3HMB HEC 110 3HMB HEC 110 -2.934 0.988 -1.431 849 HAB HEC 110 HAB HEC 110 -0.746 -1.167 1.273 850 1HBB HEC 110 1HBB HEC 110 -1.538 1.592 0.320 851 2HBB HEC 110 2HBB HEC 110 -1.608 1.055 2.015 852 3HBB HEC 110 3HBB HEC 110 -0.046 1.115 1.164 853 1HMC HEC 110 1HMC HEC 110 -0.310 -5.467 3.974 854 2HMC HEC 110 2HMC HEC 110 -0.059 -6.118 2.336 855 3HMC HEC 110 3HMC HEC 110 -0.223 -4.363 2.581 856 HAC HEC 110 HAC HEC 110 -3.234 -8.128 4.367 857 1HBC HEC 110 1HBC HEC 110 -0.994 -8.702 4.983 858 2HBC HEC 110 2HBC HEC 110 -0.318 -7.562 3.796 859 3HBC HEC 110 3HBC HEC 110 -1.206 -6.950 5.211 860 1HMD HEC 110 1HMD HEC 110 -8.563 -9.364 3.054 861 2HMD HEC 110 2HMD HEC 110 -6.802 -9.227 3.273 862 3HMD HEC 110 3HMD HEC 110 -7.905 -8.590 4.516 863 1HAD HEC 110 1HAD HEC 110 -10.383 -8.101 2.814 864 2HAD HEC 110 2HAD HEC 110 -10.884 -6.395 2.734 865 1HBD HEC 110 1HBD HEC 110 -11.611 -6.638 0.654 866 2HBD HEC 110 2HBD HEC 110 -10.072 -7.360 0.126 867 HHA HEC 111 HHA HEC 111 0.408 5.463 -7.706 868 HHB HEC 111 HHB HEC 111 -0.650 1.936 -12.954 869 HHC HEC 111 HHC HEC 111 -3.360 -2.634 -9.373 870 HHD HEC 111 HHD HEC 111 -3.058 1.329 -4.245 871 1HMA HEC 111 1HMA HEC 111 -0.101 4.243 -13.511 872 2HMA HEC 111 2HMA HEC 111 1.204 5.282 -12.889 873 3HMA HEC 111 3HMA HEC 111 1.496 3.545 -13.149 874 1HAA HEC 111 1HAA HEC 111 0.635 6.844 -10.746 875 2HAA HEC 111 2HAA HEC 111 1.330 6.350 -9.184 876 1HBA HEC 111 1HBA HEC 111 3.361 6.099 -10.060 877 2HBA HEC 111 2HBA HEC 111 2.744 5.188 -11.459 878 1HMB HEC 111 1HMB HEC 111 -0.982 -1.717 -14.007 879 2HMB HEC 111 2HMB HEC 111 -1.816 -0.189 -14.382 880 3HMB HEC 111 3HMB HEC 111 -0.121 -0.168 -13.837 881 HAB HEC 111 HAB HEC 111 -3.415 -3.224 -11.414 882 1HBB HEC 111 1HBB HEC 111 -0.503 -3.606 -12.139 883 2HBB HEC 111 2HBB HEC 111 -1.320 -4.080 -10.630 884 3HBB HEC 111 3HBB HEC 111 -1.729 -4.896 -12.158 885 1HMC HEC 111 1HMC HEC 111 -4.305 -3.646 -6.134 886 2HMC HEC 111 2HMC HEC 111 -5.747 -2.794 -6.737 887 3HMC HEC 111 3HMC HEC 111 -4.520 -3.389 -7.882 888 HAC HEC 111 HAC HEC 111 -3.891 -0.400 -3.632 889 1HBC HEC 111 1HBC HEC 111 -4.113 -2.459 -2.733 890 2HBC HEC 111 2HBC HEC 111 -5.147 -3.053 -4.055 891 3HBC HEC 111 3HBC HEC 111 -3.385 -2.952 -4.281 892 1HMD HEC 111 1HMD HEC 111 -2.542 2.839 -3.040 893 2HMD HEC 111 2HMD HEC 111 -0.813 3.125 -2.732 894 3HMD HEC 111 3HMD HEC 111 -1.916 4.503 -2.957 895 1HAD HEC 111 1HAD HEC 111 0.564 5.339 -4.094 896 2HAD HEC 111 2HAD HEC 111 0.688 5.915 -5.774 897 1HBD HEC 111 1HBD HEC 111 -1.646 6.865 -5.477 898 2HBD HEC 111 2HBD HEC 111 -1.458 6.522 -3.741 No H/Q in entry = 898 Start of MODEL 15 1 1H ALA 1 1H ALA 1 1.141 3.188 22.976 2 2H ALA 1 2H ALA 1 0.071 4.449 22.897 3 HA ALA 1 HA ALA 1 1.162 3.714 20.802 4 1HB ALA 1 1HB ALA 1 0.579 1.266 21.485 5 2HB ALA 1 2HB ALA 1 -1.039 1.639 20.843 6 3HB ALA 1 3HB ALA 1 0.386 1.743 19.781 7 HA PRO 2 HA PRO 2 -2.036 6.377 19.573 8 1HB PRO 2 1HB PRO 2 -1.184 6.937 17.038 9 2HB PRO 2 2HB PRO 2 -0.555 7.744 18.460 10 1HG PRO 2 1HG PRO 2 0.716 5.653 16.802 11 2HG PRO 2 2HG PRO 2 1.463 6.757 17.940 12 1HD PRO 2 1HD PRO 2 0.897 3.978 18.365 13 2HD PRO 2 2HD PRO 2 1.536 5.109 19.541 14 H LYS 3 H LYS 3 -4.051 6.408 18.632 15 HA LYS 3 HA LYS 3 -4.811 3.852 17.611 16 1HB LYS 3 1HB LYS 3 -6.138 6.332 18.520 17 2HB LYS 3 2HB LYS 3 -6.981 5.477 17.244 18 1HG LYS 3 1HG LYS 3 -5.917 3.726 19.411 19 2HG LYS 3 2HG LYS 3 -7.156 4.852 19.929 20 1HD LYS 3 1HD LYS 3 -8.470 4.023 17.796 21 2HD LYS 3 2HD LYS 3 -7.354 2.672 17.826 22 1HE LYS 3 1HE LYS 3 -9.132 1.863 19.141 23 2HE LYS 3 2HE LYS 3 -8.022 2.455 20.361 24 1HZ LYS 3 1HZ LYS 3 -9.304 4.511 20.477 25 2HZ LYS 3 2HZ LYS 3 -10.302 4.028 19.285 26 H ALA 4 H ALA 4 -5.951 3.557 15.507 27 HA ALA 4 HA ALA 4 -4.348 4.515 13.411 28 1HB ALA 4 3HB ALA 4 -6.037 2.413 13.792 29 2HB ALA 4 1HB ALA 4 -7.067 3.471 12.798 30 3HB ALA 4 2HB ALA 4 -5.477 2.951 12.191 31 HA PRO 5 HA PRO 5 -6.359 8.206 12.394 32 1HB PRO 5 1HB PRO 5 -5.734 8.463 9.746 33 2HB PRO 5 2HB PRO 5 -4.621 8.869 11.037 34 1HG PRO 5 1HG PRO 5 -4.612 6.510 9.255 35 2HG PRO 5 2HG PRO 5 -3.310 7.147 10.240 36 1HD PRO 5 1HD PRO 5 -4.928 4.850 10.813 37 2HD PRO 5 2HD PRO 5 -3.705 5.555 11.851 38 H ALA 6 H ALA 6 -8.154 9.270 11.398 39 HA ALA 6 HA ALA 6 -10.323 7.585 11.135 40 1HB ALA 6 3HB ALA 6 -9.743 10.425 10.247 41 2HB ALA 6 1HB ALA 6 -11.332 9.667 9.985 42 3HB ALA 6 2HB ALA 6 -10.704 9.868 11.638 43 H ASP 7 H ASP 7 -11.765 7.769 8.952 44 HA ASP 7 HA ASP 7 -10.139 6.408 7.023 45 1HB ASP 7 1HB ASP 7 -13.134 7.004 7.125 46 2HB ASP 7 2HB ASP 7 -12.372 6.027 5.886 47 H GLY 8 H GLY 8 -10.540 6.995 4.596 48 1HA GLY 8 1HA GLY 8 -11.073 8.558 2.952 49 2HA GLY 8 2HA GLY 8 -11.239 9.808 4.169 50 H LEU 9 H LEU 9 -8.474 7.706 4.572 51 HA LEU 9 HA LEU 9 -6.711 9.904 4.140 52 1HB LEU 9 1HB LEU 9 -6.229 8.451 5.929 53 2HB LEU 9 2HB LEU 9 -6.367 7.021 4.925 54 HG LEU 9 HG LEU 9 -4.024 7.919 5.675 55 1HD1 LEU 9 1HD1 LEU 9 -4.954 6.310 3.545 56 2HD1 LEU 9 2HD1 LEU 9 -3.629 7.307 2.899 57 3HD1 LEU 9 3HD1 LEU 9 -3.358 6.287 4.332 58 1HD2 LEU 9 2HD2 LEU 9 -4.706 10.205 4.539 59 2HD2 LEU 9 3HD2 LEU 9 -3.027 9.614 4.507 60 3HD2 LEU 9 1HD2 LEU 9 -4.072 9.404 3.081 61 H LYS 10 H LYS 10 -6.776 10.569 1.987 62 HA LYS 10 HA LYS 10 -6.374 8.548 -0.054 63 1HB LYS 10 1HB LYS 10 -8.050 10.142 -0.576 64 2HB LYS 10 2HB LYS 10 -7.042 11.494 -0.101 65 1HG LYS 10 1HG LYS 10 -5.421 10.803 -1.976 66 2HG LYS 10 2HG LYS 10 -6.646 9.671 -2.515 67 1HD LYS 10 1HD LYS 10 -7.934 12.220 -2.103 68 2HD LYS 10 2HD LYS 10 -6.477 12.506 -3.034 69 1HE LYS 10 1HE LYS 10 -7.674 11.850 -4.857 70 2HE LYS 10 2HE LYS 10 -7.510 10.215 -4.248 71 1HZ LYS 10 1HZ LYS 10 -9.604 10.548 -3.009 72 2HZ LYS 10 2HZ LYS 10 -9.761 12.050 -3.618 73 H MET 11 H MET 11 -4.567 8.513 -1.488 74 HA MET 11 HA MET 11 -2.272 9.935 -0.374 75 1HB MET 11 1HB MET 11 -2.205 7.343 -2.002 76 2HB MET 11 2HB MET 11 -0.910 8.012 -1.029 77 1HG MET 11 1HG MET 11 -2.003 7.460 1.029 78 2HG MET 11 2HG MET 11 -3.561 7.256 0.254 79 1HE MET 11 2HE MET 11 -0.017 6.423 -0.009 80 2HE MET 11 3HE MET 11 -0.014 4.845 0.814 81 3HE MET 11 1HE MET 11 0.028 4.922 -0.964 82 H GLU 12 H GLU 12 -2.263 11.773 -1.706 83 HA GLU 12 HA GLU 12 -2.293 11.241 -4.563 84 1HB GLU 12 1HB GLU 12 -3.924 12.913 -3.655 85 2HB GLU 12 2HB GLU 12 -2.588 13.886 -3.073 86 1HG GLU 12 1HG GLU 12 -2.451 13.106 -5.959 87 2HG GLU 12 2HG GLU 12 -3.747 14.207 -5.537 88 H ALA 13 H ALA 13 -0.008 10.300 -4.020 89 HA ALA 13 HA ALA 13 1.945 12.488 -3.917 90 1HB ALA 13 1HB ALA 13 1.758 9.828 -2.722 91 2HB ALA 13 2HB ALA 13 3.273 10.035 -3.634 92 3HB ALA 13 3HB ALA 13 2.856 11.174 -2.331 93 H THR 14 H THR 14 0.333 10.263 -5.983 94 HA THR 14 HA THR 14 2.395 10.719 -8.030 95 HB THR 14 HB THR 14 2.264 8.419 -8.705 96 HG1 THR 14 HG1 THR 14 -0.021 8.441 -6.859 97 1HG2 THR 14 3HG2 THR 14 1.941 8.447 -5.657 98 2HG2 THR 14 1HG2 THR 14 2.503 7.052 -6.608 99 3HG2 THR 14 2HG2 THR 14 3.484 8.535 -6.539 100 H LYS 15 H LYS 15 1.340 10.038 -10.291 101 HA LYS 15 HA LYS 15 -0.702 11.927 -10.680 102 1HB LYS 15 1HB LYS 15 1.061 11.235 -12.333 103 2HB LYS 15 2HB LYS 15 0.198 9.728 -12.561 104 1HG LYS 15 1HG LYS 15 -1.435 10.711 -13.828 105 2HG LYS 15 2HG LYS 15 -1.575 12.087 -12.753 106 1HD LYS 15 1HD LYS 15 0.741 12.829 -13.759 107 2HD LYS 15 2HD LYS 15 0.392 11.677 -15.032 108 1HE LYS 15 1HE LYS 15 -1.346 12.942 -15.903 109 2HE LYS 15 2HE LYS 15 -1.842 13.547 -14.334 110 1HZ LYS 15 1HZ LYS 15 0.500 14.480 -15.902 111 2HZ LYS 15 2HZ LYS 15 -0.840 15.339 -15.555 112 H GLN 16 H GLN 16 -0.766 8.786 -9.361 113 HA GLN 16 HA GLN 16 -3.621 8.672 -9.933 114 1HB GLN 16 1HB GLN 16 -1.825 6.227 -9.650 115 2HB GLN 16 2HB GLN 16 -3.521 6.241 -10.091 116 1HG GLN 16 1HG GLN 16 -1.724 7.912 -11.807 117 2HG GLN 16 2HG GLN 16 -1.480 6.180 -11.916 118 1HE2 GLN 16 2HE2 GLN 16 -4.868 5.480 -13.025 119 2HE2 GLN 16 1HE2 GLN 16 -3.700 4.943 -11.864 120 HA PRO 17 HA PRO 17 -3.240 8.762 -5.501 121 1HB PRO 17 1HB PRO 17 -5.624 10.005 -5.011 122 2HB PRO 17 2HB PRO 17 -4.126 10.875 -5.273 123 1HG PRO 17 1HG PRO 17 -6.412 10.527 -7.114 124 2HG PRO 17 2HG PRO 17 -5.123 11.712 -7.176 125 1HD PRO 17 1HD PRO 17 -5.374 9.363 -8.802 126 2HD PRO 17 2HD PRO 17 -4.029 10.485 -8.783 127 H VAL 18 H VAL 18 -4.500 7.895 -3.630 128 HA VAL 18 HA VAL 18 -6.561 6.051 -4.484 129 HB VAL 18 HB VAL 18 -3.921 5.179 -3.304 130 1HG1 VAL 18 1HG1 VAL 18 -6.615 3.895 -3.233 131 2HG1 VAL 18 2HG1 VAL 18 -5.214 2.852 -3.572 132 3HG1 VAL 18 3HG1 VAL 18 -5.269 3.807 -2.071 133 1HG2 VAL 18 3HG2 VAL 18 -5.329 4.735 -5.928 134 2HG2 VAL 18 1HG2 VAL 18 -3.640 5.198 -5.612 135 3HG2 VAL 18 2HG2 VAL 18 -4.177 3.528 -5.309 136 H VAL 19 H VAL 19 -7.862 5.297 -2.690 137 HA VAL 19 HA VAL 19 -7.387 6.881 -0.259 138 HB VAL 19 HB VAL 19 -9.932 6.118 -1.691 139 1HG1 VAL 19 1HG1 VAL 19 -9.600 7.259 1.103 140 2HG1 VAL 19 2HG1 VAL 19 -11.132 7.226 0.199 141 3HG1 VAL 19 3HG1 VAL 19 -10.335 5.701 0.655 142 1HG2 VAL 19 3HG2 VAL 19 -8.284 8.397 -1.801 143 2HG2 VAL 19 1HG2 VAL 19 -9.926 8.213 -2.462 144 3HG2 VAL 19 2HG2 VAL 19 -9.695 8.872 -0.825 145 H PHE 20 H PHE 20 -6.674 5.609 1.367 146 HA PHE 20 HA PHE 20 -7.416 2.787 1.314 147 1HB PHE 20 1HB PHE 20 -5.015 3.700 1.567 148 2HB PHE 20 2HB PHE 20 -5.514 4.473 3.059 149 HD1 PHE 20 HD2 PHE 20 -5.043 1.165 1.424 150 HD2 PHE 20 HD1 PHE 20 -5.570 3.270 5.111 151 HE1 PHE 20 HE2 PHE 20 -4.463 -0.944 2.720 152 HE2 PHE 20 HE1 PHE 20 -4.988 1.154 6.394 153 HZ PHE 20 HZ PHE 20 -4.415 -0.944 5.078 154 H ASN 21 H ASN 21 -7.619 1.841 3.702 155 HA ASN 21 HA ASN 21 -9.088 3.672 5.371 156 1HB ASN 21 1HB ASN 21 -10.247 1.066 4.258 157 2HB ASN 21 2HB ASN 21 -10.947 1.916 5.621 158 1HD2 ASN 21 2HD2 ASN 21 -11.256 3.343 1.760 159 2HD2 ASN 21 1HD2 ASN 21 -10.126 2.110 2.211 160 H HIS 22 H HIS 22 -8.725 3.145 7.574 161 HA HIS 22 HA HIS 22 -7.012 0.852 8.024 162 1HB HIS 22 1HB HIS 22 -7.631 3.391 9.480 163 2HB HIS 22 2HB HIS 22 -7.073 2.018 10.415 164 HD1 HIS 22 HD1 HIS 22 -5.935 4.541 7.876 165 HD2 HIS 22 HD2 HIS 22 -4.374 1.247 9.951 166 HE1 HIS 22 HE1 HIS 22 -3.407 4.618 7.541 167 H SER 23 H SER 23 -10.325 1.622 8.050 168 HA SER 23 HA SER 23 -10.919 -0.058 10.303 169 1HB SER 23 1HB SER 23 -12.462 1.768 8.487 170 2HB SER 23 2HB SER 23 -13.355 0.457 9.233 171 HG SER 23 HG SER 23 -11.634 1.992 10.911 172 H THR 24 H THR 24 -10.022 -0.540 7.112 173 HA THR 24 HA THR 24 -11.803 -2.852 6.761 174 HB THR 24 HB THR 24 -10.089 -1.184 4.851 175 HG1 THR 24 HG1 THR 24 -12.083 -0.236 4.722 176 1HG2 THR 24 3HG2 THR 24 -10.876 -3.929 4.558 177 2HG2 THR 24 1HG2 THR 24 -12.005 -2.963 3.579 178 3HG2 THR 24 2HG2 THR 24 -10.253 -2.844 3.292 179 H HIS 25 H HIS 25 -8.436 -1.826 7.233 180 HA HIS 25 HA HIS 25 -7.628 -4.616 6.943 181 1HB HIS 25 1HB HIS 25 -5.962 -2.088 7.105 182 2HB HIS 25 2HB HIS 25 -5.326 -3.710 6.916 183 HD1 HIS 25 HD1 HIS 25 -7.606 -1.263 5.055 184 HD2 HIS 25 HD2 HIS 25 -5.113 -4.553 4.310 185 HE1 HIS 25 HE1 HIS 25 -7.488 -1.510 2.518 186 H LYS 26 H LYS 26 -9.273 -3.818 9.184 187 HA LYS 26 HA LYS 26 -7.658 -3.264 11.431 188 1HB LYS 26 1HB LYS 26 -10.413 -4.525 11.324 189 2HB LYS 26 2HB LYS 26 -9.666 -3.762 12.713 190 1HG LYS 26 1HG LYS 26 -9.579 -1.591 11.503 191 2HG LYS 26 2HG LYS 26 -10.261 -2.342 10.074 192 1HD LYS 26 1HD LYS 26 -12.195 -1.459 11.031 193 2HD LYS 26 2HD LYS 26 -12.214 -3.066 11.732 194 1HE LYS 26 1HE LYS 26 -11.380 -2.292 13.838 195 2HE LYS 26 2HE LYS 26 -10.803 -0.783 13.159 196 1HZ LYS 26 1HZ LYS 26 -13.051 -0.826 14.440 197 2HZ LYS 26 2HZ LYS 26 -12.950 0.076 13.088 198 H SER 27 H SER 27 -8.769 -6.253 9.793 199 HA SER 27 HA SER 27 -7.853 -7.928 11.863 200 1HB SER 27 1HB SER 27 -8.258 -9.754 10.236 201 2HB SER 27 2HB SER 27 -9.613 -8.644 10.303 202 HG SER 27 HG SER 27 -9.115 -7.820 8.306 203 H VAL 28 H VAL 28 -6.292 -6.074 9.424 204 HA VAL 28 HA VAL 28 -4.075 -7.904 9.099 205 HB VAL 28 HB VAL 28 -4.458 -5.072 8.112 206 1HG1 VAL 28 3HG1 VAL 28 -2.134 -6.448 8.186 207 2HG1 VAL 28 1HG1 VAL 28 -2.784 -7.035 6.637 208 3HG1 VAL 28 2HG1 VAL 28 -2.550 -5.290 6.900 209 1HG2 VAL 28 2HG2 VAL 28 -6.225 -6.813 7.419 210 2HG2 VAL 28 3HG2 VAL 28 -5.408 -5.899 6.128 211 3HG2 VAL 28 1HG2 VAL 28 -4.917 -7.573 6.481 212 H LYS 29 H LYS 29 -2.034 -7.680 10.028 213 HA LYS 29 HA LYS 29 -1.970 -6.267 12.484 214 1HB LYS 29 1HB LYS 29 -0.484 -8.335 11.167 215 2HB LYS 29 2HB LYS 29 0.641 -7.099 11.693 216 1HG LYS 29 1HG LYS 29 -0.444 -7.162 13.987 217 2HG LYS 29 2HG LYS 29 -1.443 -8.493 13.438 218 1HD LYS 29 1HD LYS 29 1.451 -8.887 12.902 219 2HD LYS 29 2HD LYS 29 1.070 -8.746 14.607 220 1HE LYS 29 1HE LYS 29 0.614 -10.991 14.437 221 2HE LYS 29 2HE LYS 29 -0.937 -10.440 13.837 222 1HZ LYS 29 1HZ LYS 29 0.161 -12.064 12.343 223 2HZ LYS 29 2HZ LYS 29 -0.120 -10.653 11.579 224 H CYS 30 H CYS 30 -1.020 -4.321 13.031 225 HA CYS 30 HA CYS 30 -0.800 -2.405 11.051 226 1HB CYS 30 1HB CYS 30 0.587 -2.206 13.717 227 2HB CYS 30 2HB CYS 30 -0.086 -0.919 12.736 228 H GLY 31 H GLY 31 1.505 -4.731 12.444 229 1HA GLY 31 1HA GLY 31 3.853 -3.445 11.391 230 2HA GLY 31 2HA GLY 31 3.737 -5.023 12.144 231 H ASP 32 H ASP 32 1.268 -5.048 9.913 232 HA ASP 32 HA ASP 32 2.796 -6.676 8.165 233 1HB ASP 32 1HB ASP 32 0.372 -7.069 8.847 234 2HB ASP 32 2HB ASP 32 -0.077 -5.683 7.873 235 H CYS 33 H CYS 33 1.543 -3.356 8.315 236 HA CYS 33 HA CYS 33 2.355 -2.944 5.532 237 1HB CYS 33 1HB CYS 33 0.185 -1.773 7.207 238 2HB CYS 33 2HB CYS 33 0.998 -0.681 6.104 239 H HIS 34 H HIS 34 2.279 -1.406 8.833 240 HA HIS 34 HA HIS 34 4.357 0.410 8.113 241 1HB HIS 34 1HB HIS 34 3.099 -0.231 10.796 242 2HB HIS 34 2HB HIS 34 4.209 1.090 10.493 243 HD1 HIS 34 HD1 HIS 34 3.325 3.069 8.929 244 HD2 HIS 34 HD2 HIS 34 0.447 0.241 10.075 245 HE1 HIS 34 HE1 HIS 34 1.053 4.122 8.438 246 H HIS 35 H HIS 35 5.512 -1.833 7.370 247 HA HIS 35 HA HIS 35 6.634 -3.560 9.082 248 1HB HIS 35 1HB HIS 35 8.426 -3.837 7.477 249 2HB HIS 35 2HB HIS 35 6.895 -3.623 6.651 250 HD1 HIS 35 HD1 HIS 35 10.008 -1.600 7.569 251 HD2 HIS 35 HD2 HIS 35 6.867 -1.595 4.789 252 HE1 HIS 35 HE1 HIS 35 10.547 0.239 5.885 253 HA PRO 36 HA PRO 36 9.284 -1.334 11.677 254 1HB PRO 36 1HB PRO 36 10.984 -3.304 12.515 255 2HB PRO 36 2HB PRO 36 9.382 -3.071 13.186 256 1HG PRO 36 1HG PRO 36 10.319 -5.151 11.307 257 2HG PRO 36 2HG PRO 36 8.879 -5.142 12.306 258 1HD PRO 36 1HD PRO 36 9.014 -4.641 9.485 259 2HD PRO 36 2HD PRO 36 7.594 -4.518 10.504 260 H VAL 37 H VAL 37 10.701 0.219 11.227 261 HA VAL 37 HA VAL 37 12.775 -0.576 9.310 262 HB VAL 37 HB VAL 37 11.394 2.024 9.934 263 1HG1 VAL 37 3HG1 VAL 37 14.163 1.680 9.180 264 2HG1 VAL 37 1HG1 VAL 37 13.264 2.486 7.872 265 3HG1 VAL 37 2HG1 VAL 37 13.258 3.176 9.513 266 1HG2 VAL 37 3HG2 VAL 37 10.807 0.089 8.108 267 2HG2 VAL 37 1HG2 VAL 37 10.410 1.813 7.910 268 3HG2 VAL 37 2HG2 VAL 37 11.874 1.144 7.150 269 H ASN 38 H ASN 38 14.702 -1.042 10.226 270 HA ASN 38 HA ASN 38 16.563 -0.588 11.325 271 1HB ASN 38 1HB ASN 38 15.417 1.871 11.631 272 2HB ASN 38 2HB ASN 38 15.340 1.336 13.298 273 1HD2 ASN 38 2HD2 ASN 38 18.765 1.507 13.976 274 2HD2 ASN 38 1HD2 ASN 38 17.198 0.958 14.468 275 H GLY 39 H GLY 39 13.505 -1.530 12.449 276 1HA GLY 39 1HA GLY 39 13.372 -3.437 13.880 277 2HA GLY 39 2HA GLY 39 14.675 -2.783 14.852 278 H LYS 40 H LYS 40 12.795 -0.146 13.929 279 HA LYS 40 HA LYS 40 11.291 -0.308 16.444 280 1HB LYS 40 1HB LYS 40 11.498 2.023 16.660 281 2HB LYS 40 2HB LYS 40 13.086 1.467 16.173 282 1HG LYS 40 1HG LYS 40 12.027 1.915 13.705 283 2HG LYS 40 2HG LYS 40 11.072 3.064 14.620 284 1HD LYS 40 1HD LYS 40 13.034 4.238 15.398 285 2HD LYS 40 2HD LYS 40 14.103 2.948 14.886 286 1HE LYS 40 1HE LYS 40 12.910 3.532 12.488 287 2HE LYS 40 2HE LYS 40 12.812 5.104 13.256 288 1HZ LYS 40 1HZ LYS 40 15.051 4.009 12.069 289 2HZ LYS 40 2HZ LYS 40 15.010 5.378 12.952 290 H GLU 41 H GLU 41 9.070 0.251 16.473 291 HA GLU 41 HA GLU 41 7.904 0.199 13.803 292 1HB GLU 41 1HB GLU 41 7.391 -1.368 16.140 293 2HB GLU 41 2HB GLU 41 5.979 -0.359 15.898 294 1HG GLU 41 1HG GLU 41 6.439 -1.159 13.312 295 2HG GLU 41 2HG GLU 41 7.067 -2.549 14.175 296 H ASP 42 H ASP 42 6.408 1.790 13.187 297 HA ASP 42 HA ASP 42 5.403 3.566 15.179 298 1HB ASP 42 1HB ASP 42 7.727 4.448 14.543 299 2HB ASP 42 2HB ASP 42 7.120 4.686 12.916 300 H TYR 43 H TYR 43 3.847 5.200 14.071 301 HA TYR 43 HA TYR 43 2.767 3.964 11.634 302 1HB TYR 43 1HB TYR 43 1.579 5.812 13.798 303 2HB TYR 43 2HB TYR 43 0.657 5.105 12.486 304 HD1 TYR 43 HD1 TYR 43 2.537 2.431 12.953 305 HD2 TYR 43 HD2 TYR 43 -0.204 4.761 15.268 306 HE1 TYR 43 HE1 TYR 43 2.029 0.406 14.404 307 HE2 TYR 43 HE2 TYR 43 -0.703 2.728 16.711 308 HH TYR 43 HH TYR 43 0.028 0.701 17.274 309 H ARG 44 H ARG 44 4.094 5.102 10.117 310 HA ARG 44 HA ARG 44 3.464 7.945 10.056 311 1HB ARG 44 1HB ARG 44 6.037 6.648 10.115 312 2HB ARG 44 2HB ARG 44 5.855 7.349 8.519 313 1HG ARG 44 1HG ARG 44 5.569 9.557 9.380 314 2HG ARG 44 2HG ARG 44 5.170 8.980 10.986 315 1HD ARG 44 1HD ARG 44 7.620 7.959 10.943 316 2HD ARG 44 2HD ARG 44 7.889 9.109 9.649 317 HE ARG 44 HE ARG 44 6.755 10.710 11.550 318 1HH1 ARG 44 2HH2 ARG 44 9.384 8.344 11.760 319 2HH1 ARG 44 1HH2 ARG 44 10.188 9.166 13.056 320 HH2 ARG 44 HH1 ARG 44 9.247 11.193 13.922 321 H LYS 45 H LYS 45 4.033 8.767 7.594 322 HA LYS 45 HA LYS 45 2.305 7.163 5.935 323 1HB LYS 45 1HB LYS 45 3.628 9.857 5.504 324 2HB LYS 45 2HB LYS 45 2.534 9.095 4.367 325 1HG LYS 45 1HG LYS 45 0.892 10.196 5.514 326 2HG LYS 45 2HG LYS 45 1.058 8.905 6.688 327 1HD LYS 45 1HD LYS 45 2.152 10.243 8.220 328 2HD LYS 45 2HD LYS 45 3.026 11.130 6.988 329 1HE LYS 45 1HE LYS 45 0.037 11.525 7.174 330 2HE LYS 45 2HE LYS 45 1.047 12.278 8.391 331 1HZ LYS 45 1HZ LYS 45 2.368 13.217 6.463 332 2HZ LYS 45 2HZ LYS 45 1.187 12.709 5.463 333 H CYS 46 H CYS 46 2.901 5.893 4.216 334 HA CYS 46 HA CYS 46 5.475 4.913 4.122 335 1HB CYS 46 1HB CYS 46 3.671 4.848 1.722 336 2HB CYS 46 2HB CYS 46 4.802 3.636 2.290 337 H GLY 47 H GLY 47 3.777 7.406 2.111 338 1HA GLY 47 1HA GLY 47 6.123 7.939 0.521 339 2HA GLY 47 2HA GLY 47 4.580 8.767 0.472 340 H THR 48 H THR 48 6.987 8.196 3.141 341 HA THR 48 HA THR 48 6.809 11.053 3.759 342 HB THR 48 HB THR 48 7.400 8.496 5.243 343 HG1 THR 48 HG1 THR 48 6.134 9.979 6.777 344 1HG2 THR 48 1HG2 THR 48 9.413 10.100 5.604 345 2HG2 THR 48 2HG2 THR 48 8.236 11.233 6.310 346 3HG2 THR 48 3HG2 THR 48 8.501 9.642 7.062 347 H ALA 49 H ALA 49 8.544 12.445 3.755 348 HA ALA 49 HA ALA 49 10.525 11.993 1.888 349 1HB ALA 49 2HB ALA 49 9.716 14.034 3.768 350 2HB ALA 49 3HB ALA 49 11.489 13.873 3.789 351 3HB ALA 49 1HB ALA 49 10.643 14.205 2.258 352 H GLY 50 H GLY 50 12.313 10.728 1.888 353 1HA GLY 50 1HA GLY 50 14.363 10.106 2.895 354 2HA GLY 50 2HA GLY 50 13.608 10.172 4.475 355 H CYS 51 H CYS 51 11.087 8.817 3.324 356 HA CYS 51 HA CYS 51 12.142 6.128 3.610 357 1HB CYS 51 1HB CYS 51 9.295 7.176 3.727 358 2HB CYS 51 2HB CYS 51 9.749 5.496 3.928 359 H HIS 52 H HIS 52 9.066 6.376 2.035 360 HA HIS 52 HA HIS 52 10.304 5.486 -0.436 361 1HB HIS 52 1HB HIS 52 7.432 5.419 0.531 362 2HB HIS 52 2HB HIS 52 7.965 4.832 -1.032 363 HD1 HIS 52 HD1 HIS 52 9.886 2.833 -0.879 364 HD2 HIS 52 HD2 HIS 52 7.534 3.538 2.522 365 HE1 HIS 52 HE1 HIS 52 10.090 0.747 0.577 366 H ASP 53 H ASP 53 11.127 7.797 -0.717 367 HA ASP 53 HA ASP 53 8.981 9.496 -1.699 368 1HB ASP 53 1HB ASP 53 10.309 11.353 -1.181 369 2HB ASP 53 2HB ASP 53 10.774 10.235 0.087 370 H SER 54 H SER 54 10.452 7.091 -3.010 371 HA SER 54 HA SER 54 12.069 8.308 -5.010 372 1HB SER 54 1HB SER 54 12.279 5.920 -3.999 373 2HB SER 54 2HB SER 54 10.962 5.478 -5.066 374 HG SER 54 HG SER 54 12.737 6.833 -6.576 375 H MET 55 H MET 55 10.986 9.622 -6.467 376 HA MET 55 HA MET 55 8.365 8.811 -7.332 377 1HB MET 55 1HB MET 55 9.858 11.275 -7.049 378 2HB MET 55 2HB MET 55 9.424 11.130 -8.741 379 1HG MET 55 1HG MET 55 7.447 12.081 -8.038 380 2HG MET 55 2HG MET 55 7.034 10.429 -7.624 381 1HE MET 55 1HE MET 55 7.061 9.383 -5.744 382 2HE MET 55 2HE MET 55 8.195 9.764 -4.426 383 3HE MET 55 3HE MET 55 6.471 10.172 -4.261 384 H ASP 56 H ASP 56 10.558 7.059 -8.101 385 HA ASP 56 HA ASP 56 10.624 7.612 -10.964 386 1HB ASP 56 1HB ASP 56 12.812 7.390 -9.473 387 2HB ASP 56 2HB ASP 56 12.485 5.670 -9.564 388 H LYS 57 H LYS 57 8.399 6.542 -10.952 389 HA LYS 57 HA LYS 57 7.716 4.138 -9.991 390 1HB LYS 57 1HB LYS 57 6.048 5.299 -11.109 391 2HB LYS 57 2HB LYS 57 7.030 5.575 -12.534 392 1HG LYS 57 1HG LYS 57 6.380 2.721 -11.796 393 2HG LYS 57 2HG LYS 57 5.104 3.699 -12.494 394 1HD LYS 57 1HD LYS 57 7.089 4.321 -14.240 395 2HD LYS 57 2HD LYS 57 7.668 2.744 -13.741 396 1HE LYS 57 1HE LYS 57 6.271 2.230 -15.579 397 2HE LYS 57 2HE LYS 57 5.233 1.909 -14.204 398 1HZ LYS 57 1HZ LYS 57 5.239 4.454 -15.739 399 2HZ LYS 57 2HZ LYS 57 4.117 3.283 -15.887 400 H LYS 58 H LYS 58 9.424 4.659 -13.156 401 HA LYS 58 HA LYS 58 9.828 1.858 -13.485 402 1HB LYS 58 1HB LYS 58 10.271 4.323 -15.006 403 2HB LYS 58 2HB LYS 58 11.571 3.165 -15.205 404 1HG LYS 58 1HG LYS 58 9.990 1.407 -15.868 405 2HG LYS 58 2HG LYS 58 8.620 2.432 -15.487 406 1HD LYS 58 1HD LYS 58 10.685 3.351 -17.514 407 2HD LYS 58 2HD LYS 58 9.427 2.228 -17.992 408 1HE LYS 58 1HE LYS 58 8.519 4.381 -18.477 409 2HE LYS 58 2HE LYS 58 7.733 3.904 -16.986 410 1HZ LYS 58 1HZ LYS 58 10.213 5.516 -16.933 411 2HZ LYS 58 2HZ LYS 58 8.755 6.229 -17.071 412 H ASP 59 H ASP 59 10.687 1.798 -11.105 413 HA ASP 59 HA ASP 59 13.418 1.298 -11.311 414 1HB ASP 59 1HB ASP 59 13.386 3.855 -11.082 415 2HB ASP 59 2HB ASP 59 12.695 3.636 -9.487 416 H LYS 60 H LYS 60 12.767 -0.713 -10.341 417 HA LYS 60 HA LYS 60 11.335 -0.583 -7.817 418 1HB LYS 60 1HB LYS 60 10.959 -2.923 -8.096 419 2HB LYS 60 2HB LYS 60 10.636 -2.147 -9.633 420 1HG LYS 60 1HG LYS 60 13.443 -3.121 -9.169 421 2HG LYS 60 2HG LYS 60 12.211 -4.344 -9.408 422 1HD LYS 60 1HD LYS 60 11.779 -2.282 -11.377 423 2HD LYS 60 2HD LYS 60 13.487 -2.675 -11.391 424 1HE LYS 60 1HE LYS 60 13.039 -5.027 -11.796 425 2HE LYS 60 2HE LYS 60 11.331 -4.831 -11.456 426 1HZ LYS 60 1HZ LYS 60 11.253 -4.645 -13.716 427 2HZ LYS 60 2HZ LYS 60 11.621 -3.082 -13.447 428 H SER 61 H SER 61 12.182 -1.270 -5.830 429 HA SER 61 HA SER 61 14.568 -2.591 -5.542 430 1HB SER 61 1HB SER 61 16.022 -0.697 -4.690 431 2HB SER 61 2HB SER 61 15.762 -0.697 -6.423 432 HG SER 61 HG SER 61 15.192 1.266 -4.636 433 H ALA 62 H ALA 62 12.992 0.359 -4.085 434 HA ALA 62 HA ALA 62 11.712 -1.018 -2.046 435 1HB ALA 62 3HB ALA 62 14.422 -1.088 -1.588 436 2HB ALA 62 1HB ALA 62 13.949 0.385 -0.707 437 3HB ALA 62 2HB ALA 62 13.177 -1.171 -0.318 438 H LYS 63 H LYS 63 13.649 1.970 -2.744 439 HA LYS 63 HA LYS 63 11.929 3.669 -1.315 440 1HB LYS 63 1HB LYS 63 13.721 4.459 -3.620 441 2HB LYS 63 2HB LYS 63 13.195 5.448 -2.273 442 1HG LYS 63 1HG LYS 63 14.371 3.424 -0.878 443 2HG LYS 63 2HG LYS 63 15.305 3.314 -2.356 444 1HD LYS 63 1HD LYS 63 14.974 6.109 -1.492 445 2HD LYS 63 2HD LYS 63 15.719 5.133 -0.242 446 1HE LYS 63 1HE LYS 63 17.372 4.279 -1.977 447 2HE LYS 63 2HE LYS 63 16.678 5.401 -3.130 448 1HZ LYS 63 1HZ LYS 63 18.649 5.982 -1.298 449 2HZ LYS 63 2HZ LYS 63 17.842 7.071 -2.202 450 H GLY 64 H GLY 64 11.703 2.085 -4.425 451 1HA GLY 64 1HA GLY 64 10.110 3.858 -5.855 452 2HA GLY 64 2HA GLY 64 10.114 2.113 -6.012 453 H TYR 65 H TYR 65 8.492 4.920 -4.630 454 HA TYR 65 HA TYR 65 6.824 3.734 -2.784 455 1HB TYR 65 1HB TYR 65 7.101 6.190 -3.270 456 2HB TYR 65 2HB TYR 65 6.428 5.965 -4.872 457 HD1 TYR 65 HD1 TYR 65 5.487 5.397 -1.280 458 HD2 TYR 65 HD2 TYR 65 4.190 6.493 -5.207 459 HE1 TYR 65 HE1 TYR 65 3.162 5.895 -0.381 460 HE2 TYR 65 HE2 TYR 65 1.870 6.988 -4.294 461 HH TYR 65 HH TYR 65 0.527 6.741 -2.569 462 H TYR 66 H TYR 66 6.458 4.041 -6.366 463 HA TYR 66 HA TYR 66 3.874 2.816 -6.333 464 1HB TYR 66 1HB TYR 66 4.407 4.359 -8.124 465 2HB TYR 66 2HB TYR 66 6.023 3.707 -8.314 466 HD1 TYR 66 HD1 TYR 66 6.329 1.465 -9.441 467 HD2 TYR 66 HD2 TYR 66 2.571 3.509 -9.390 468 HE1 TYR 66 HE1 TYR 66 5.515 0.031 -11.376 469 HE2 TYR 66 HE2 TYR 66 1.770 2.068 -11.325 470 HH TYR 66 HH TYR 66 3.266 0.734 -13.315 471 H HIS 67 H HIS 67 6.833 1.538 -5.599 472 HA HIS 67 HA HIS 67 6.357 -0.921 -7.100 473 1HB HIS 67 1HB HIS 67 8.549 -0.561 -7.483 474 2HB HIS 67 2HB HIS 67 8.744 0.473 -6.081 475 HD1 HIS 67 HD1 HIS 67 9.187 -3.035 -7.250 476 HD2 HIS 67 HD2 HIS 67 9.318 -0.930 -3.624 477 HE1 HIS 67 HE1 HIS 67 10.326 -4.579 -5.568 478 H VAL 68 H VAL 68 6.439 0.549 -3.865 479 HA VAL 68 HA VAL 68 6.154 -2.040 -2.596 480 HB VAL 68 HB VAL 68 5.980 -0.521 -0.542 481 1HG1 VAL 68 2HG1 VAL 68 8.050 -1.766 -1.596 482 2HG1 VAL 68 3HG1 VAL 68 8.602 -0.111 -1.947 483 3HG1 VAL 68 1HG1 VAL 68 8.271 -0.601 -0.268 484 1HG2 VAL 68 1HG2 VAL 68 5.496 1.500 -2.164 485 2HG2 VAL 68 2HG2 VAL 68 6.441 1.737 -0.674 486 3HG2 VAL 68 3HG2 VAL 68 7.272 1.591 -2.241 487 H MET 69 H MET 69 4.153 -0.395 -4.500 488 HA MET 69 HA MET 69 1.880 -0.833 -2.719 489 1HB MET 69 1HB MET 69 2.047 1.099 -5.095 490 2HB MET 69 2HB MET 69 0.729 0.987 -3.946 491 1HG MET 69 1HG MET 69 3.475 1.502 -2.822 492 2HG MET 69 2HG MET 69 2.718 2.815 -3.701 493 1HE MET 69 2HE MET 69 3.437 1.528 -0.564 494 2HE MET 69 3HE MET 69 3.295 3.302 -0.570 495 3HE MET 69 1HE MET 69 2.276 2.331 0.520 496 H HIS 70 H HIS 70 3.564 -1.865 -5.496 497 HA HIS 70 HA HIS 70 1.196 -3.333 -6.356 498 1HB HIS 70 1HB HIS 70 3.146 -2.109 -8.318 499 2HB HIS 70 2HB HIS 70 1.649 -2.946 -8.676 500 HD1 HIS 70 HD1 HIS 70 2.864 0.289 -7.049 501 HD2 HIS 70 HD2 HIS 70 -0.585 -1.332 -8.802 502 HE1 HIS 70 HE1 HIS 70 1.192 2.207 -7.244 503 H ASP 71 H ASP 71 4.763 -2.950 -6.978 504 HA ASP 71 HA ASP 71 5.391 -5.345 -7.846 505 1HB ASP 71 1HB ASP 71 6.837 -3.283 -6.904 506 2HB ASP 71 2HB ASP 71 7.022 -4.333 -5.513 507 H LYS 72 H LYS 72 5.495 -7.497 -7.051 508 HA LYS 72 HA LYS 72 4.487 -7.860 -4.327 509 1HB LYS 72 1HB LYS 72 4.622 -9.964 -6.492 510 2HB LYS 72 2HB LYS 72 3.665 -9.972 -5.024 511 1HG LYS 72 1HG LYS 72 2.304 -8.079 -5.853 512 2HG LYS 72 2HG LYS 72 3.312 -7.942 -7.280 513 1HD LYS 72 1HD LYS 72 2.632 -10.572 -7.493 514 2HD LYS 72 2HD LYS 72 1.230 -9.999 -6.611 515 1HE LYS 72 1HE LYS 72 0.544 -8.564 -8.348 516 2HE LYS 72 2HE LYS 72 2.162 -8.400 -9.000 517 1HZ LYS 72 1HZ LYS 72 0.187 -10.360 -9.642 518 2HZ LYS 72 2HZ LYS 72 1.549 -9.988 -10.453 519 H ASN 73 H ASN 73 7.187 -8.525 -6.560 520 HA ASN 73 HA ASN 73 8.443 -10.368 -4.869 521 1HB ASN 73 1HB ASN 73 9.526 -8.561 -7.092 522 2HB ASN 73 2HB ASN 73 10.486 -9.806 -6.318 523 1HD2 ASN 73 2HD2 ASN 73 9.107 -11.221 -9.438 524 2HD2 ASN 73 1HD2 ASN 73 10.157 -9.926 -8.965 525 H THR 74 H THR 74 7.903 -8.721 -2.921 526 HA THR 74 HA THR 74 10.292 -7.040 -2.545 527 HB THR 74 HB THR 74 8.745 -5.495 -1.270 528 HG1 THR 74 HG1 THR 74 7.001 -6.865 -0.774 529 1HG2 THR 74 1HG2 THR 74 8.945 -5.722 -4.074 530 2HG2 THR 74 2HG2 THR 74 7.191 -5.683 -3.769 531 3HG2 THR 74 3HG2 THR 74 8.225 -4.355 -3.190 532 H LYS 75 H LYS 75 11.030 -6.812 -0.333 533 HA LYS 75 HA LYS 75 11.025 -9.293 0.983 534 1HB LYS 75 1HB LYS 75 12.941 -7.838 1.082 535 2HB LYS 75 2HB LYS 75 12.001 -6.544 1.797 536 1HG LYS 75 1HG LYS 75 11.473 -8.238 3.717 537 2HG LYS 75 2HG LYS 75 12.780 -9.201 3.057 538 1HD LYS 75 1HD LYS 75 14.365 -7.324 3.343 539 2HD LYS 75 2HD LYS 75 13.070 -6.275 3.886 540 1HE LYS 75 1HE LYS 75 12.695 -8.232 5.690 541 2HE LYS 75 2HE LYS 75 14.373 -8.585 5.330 542 1HZ LYS 75 1HZ LYS 75 14.814 -6.155 5.783 543 2HZ LYS 75 2HZ LYS 75 13.291 -6.018 6.345 544 H PHE 76 H PHE 76 8.883 -6.524 1.057 545 HA PHE 76 HA PHE 76 7.564 -7.695 3.415 546 1HB PHE 76 1HB PHE 76 7.787 -4.831 2.298 547 2HB PHE 76 2HB PHE 76 6.742 -5.246 3.642 548 HD1 PHE 76 HD2 PHE 76 7.966 -6.474 5.669 549 HD2 PHE 76 HD1 PHE 76 9.924 -4.031 2.753 550 HE1 PHE 76 HE2 PHE 76 9.893 -6.085 7.280 551 HE2 PHE 76 HE1 PHE 76 11.845 -3.649 4.374 552 HZ PHE 76 HZ PHE 76 11.744 -4.762 6.657 553 H LYS 77 H LYS 77 5.187 -7.505 3.452 554 HA LYS 77 HA LYS 77 4.082 -8.255 0.979 555 1HB LYS 77 1HB LYS 77 3.039 -7.723 3.740 556 2HB LYS 77 2HB LYS 77 1.898 -7.852 2.417 557 1HG LYS 77 1HG LYS 77 2.980 -10.064 1.778 558 2HG LYS 77 2HG LYS 77 3.977 -9.942 3.214 559 1HD LYS 77 1HD LYS 77 2.298 -10.980 4.338 560 2HD LYS 77 2HD LYS 77 1.394 -9.485 4.204 561 1HE LYS 77 1HE LYS 77 0.287 -10.226 2.174 562 2HE LYS 77 2HE LYS 77 1.371 -11.592 2.000 563 1HZ LYS 77 1HZ LYS 77 -1.017 -11.729 3.229 564 2HZ LYS 77 2HZ LYS 77 0.192 -12.780 3.516 565 H SER 78 H SER 78 3.317 -7.058 -0.683 566 HA SER 78 HA SER 78 3.188 -4.203 -0.223 567 1HB SER 78 1HB SER 78 3.557 -3.923 -2.531 568 2HB SER 78 2HB SER 78 4.511 -5.344 -2.154 569 HG SER 78 HG SER 78 3.382 -6.023 -3.910 570 H CYS 79 H CYS 79 1.340 -2.972 -1.287 571 HA CYS 79 HA CYS 79 -1.066 -3.705 -0.345 572 1HB CYS 79 1HB CYS 79 -0.642 -2.168 -2.915 573 2HB CYS 79 2HB CYS 79 -2.064 -2.124 -1.893 574 H VAL 80 H VAL 80 -0.155 -3.965 -3.868 575 HA VAL 80 HA VAL 80 -2.282 -5.690 -4.471 576 HB VAL 80 HB VAL 80 0.330 -5.090 -5.868 577 1HG1 VAL 80 3HG1 VAL 80 -1.044 -7.309 -6.417 578 2HG1 VAL 80 1HG1 VAL 80 -2.031 -6.163 -7.354 579 3HG1 VAL 80 2HG1 VAL 80 -0.292 -6.324 -7.694 580 1HG2 VAL 80 3HG2 VAL 80 -2.347 -3.802 -5.767 581 2HG2 VAL 80 1HG2 VAL 80 -0.737 -3.092 -6.039 582 3HG2 VAL 80 2HG2 VAL 80 -1.582 -3.918 -7.370 583 H GLY 81 H GLY 81 1.095 -6.206 -3.396 584 1HA GLY 81 1HA GLY 81 1.442 -8.871 -3.974 585 2HA GLY 81 2HA GLY 81 2.113 -8.040 -2.585 586 H CYS 82 H CYS 82 0.180 -7.502 -0.841 587 HA CYS 82 HA CYS 82 -0.516 -10.004 0.173 588 1HB CYS 82 1HB CYS 82 -0.140 -8.013 1.579 589 2HB CYS 82 2HB CYS 82 -1.585 -7.264 0.929 590 H HIS 83 H HIS 83 -2.343 -7.418 -1.583 591 HA HIS 83 HA HIS 83 -4.855 -8.491 -1.399 592 1HB HIS 83 1HB HIS 83 -3.468 -6.774 -3.440 593 2HB HIS 83 2HB HIS 83 -5.104 -7.327 -3.736 594 HD1 HIS 83 HD1 HIS 83 -5.962 -4.847 -3.571 595 HD2 HIS 83 HD2 HIS 83 -4.239 -6.346 -0.052 596 HE1 HIS 83 HE1 HIS 83 -6.598 -3.218 -1.714 597 H VAL 84 H VAL 84 -2.205 -9.230 -3.735 598 HA VAL 84 HA VAL 84 -3.635 -10.885 -5.418 599 HB VAL 84 HB VAL 84 -0.743 -10.909 -4.545 600 1HG1 VAL 84 1HG1 VAL 84 -2.196 -12.555 -6.606 601 2HG1 VAL 84 2HG1 VAL 84 -0.497 -12.090 -6.863 602 3HG1 VAL 84 3HG1 VAL 84 -0.951 -13.047 -5.432 603 1HG2 VAL 84 2HG2 VAL 84 -2.228 -9.102 -6.122 604 2HG2 VAL 84 3HG2 VAL 84 -0.460 -9.182 -5.929 605 3HG2 VAL 84 1HG2 VAL 84 -1.250 -10.059 -7.261 606 H GLU 85 H GLU 85 -2.147 -11.505 -2.213 607 HA GLU 85 HA GLU 85 -2.622 -14.288 -2.379 608 1HB GLU 85 1HB GLU 85 -1.465 -12.374 -0.441 609 2HB GLU 85 2HB GLU 85 -2.309 -13.705 0.325 610 1HG GLU 85 1HG GLU 85 -0.738 -14.756 -1.873 611 2HG GLU 85 2HG GLU 85 0.291 -13.729 -0.895 612 H VAL 86 H VAL 86 -4.371 -11.424 -1.172 613 HA VAL 86 HA VAL 86 -6.287 -12.914 0.308 614 HB VAL 86 HB VAL 86 -6.315 -10.090 -0.776 615 1HG1 VAL 86 2HG1 VAL 86 -8.399 -11.616 0.425 616 2HG1 VAL 86 3HG1 VAL 86 -7.859 -10.408 1.616 617 3HG1 VAL 86 1HG1 VAL 86 -8.394 -9.888 0.000 618 1HG2 VAL 86 2HG2 VAL 86 -4.464 -10.888 0.887 619 2HG2 VAL 86 3HG2 VAL 86 -5.332 -9.365 1.201 620 3HG2 VAL 86 1HG2 VAL 86 -5.777 -10.843 2.088 621 H ALA 87 H ALA 87 -6.313 -11.229 -2.911 622 HA ALA 87 HA ALA 87 -8.897 -12.109 -3.576 623 1HB ALA 87 3HB ALA 87 -6.525 -11.006 -5.098 624 2HB ALA 87 1HB ALA 87 -8.004 -11.518 -5.945 625 3HB ALA 87 2HB ALA 87 -8.079 -10.222 -4.727 626 H GLY 88 H GLY 88 -5.656 -13.556 -3.793 627 1HA GLY 88 1HA GLY 88 -4.934 -15.521 -4.645 628 2HA GLY 88 2HA GLY 88 -6.391 -16.153 -3.905 629 H ALA 89 H ALA 89 -8.017 -16.980 -5.196 630 HA ALA 89 HA ALA 89 -7.852 -16.343 -8.058 631 1HB ALA 89 1HB ALA 89 -7.466 -18.895 -6.695 632 2HB ALA 89 2HB ALA 89 -8.823 -18.968 -7.845 633 3HB ALA 89 3HB ALA 89 -7.208 -18.472 -8.405 634 H ASP 90 H ASP 90 -9.470 -14.725 -6.835 635 HA ASP 90 HA ASP 90 -12.051 -16.049 -6.664 636 1HB ASP 90 1HB ASP 90 -11.520 -14.727 -4.698 637 2HB ASP 90 2HB ASP 90 -11.014 -13.362 -5.673 638 H ALA 91 H ALA 91 -10.017 -13.835 -8.493 639 HA ALA 91 HA ALA 91 -10.320 -12.985 -10.536 640 1HB ALA 91 1HB ALA 91 -12.201 -14.901 -10.590 641 2HB ALA 91 2HB ALA 91 -13.272 -13.479 -10.611 642 3HB ALA 91 3HB ALA 91 -12.046 -13.690 -11.884 643 H ALA 92 H ALA 92 -13.570 -12.400 -9.027 644 HA ALA 92 HA ALA 92 -13.796 -9.782 -9.691 645 1HB ALA 92 1HB ALA 92 -15.118 -11.653 -8.049 646 2HB ALA 92 2HB ALA 92 -14.792 -10.254 -6.997 647 3HB ALA 92 3HB ALA 92 -15.696 -10.035 -8.514 648 H LYS 93 H LYS 93 -12.401 -11.077 -6.590 649 HA LYS 93 HA LYS 93 -11.580 -8.541 -5.699 650 1HB LYS 93 1HB LYS 93 -10.974 -11.383 -4.912 651 2HB LYS 93 2HB LYS 93 -10.076 -10.061 -4.196 652 1HG LYS 93 1HG LYS 93 -12.250 -8.978 -3.524 653 2HG LYS 93 2HG LYS 93 -13.119 -10.346 -4.191 654 1HD LYS 93 1HD LYS 93 -10.967 -11.154 -2.325 655 2HD LYS 93 2HD LYS 93 -12.175 -10.134 -1.568 656 1HE LYS 93 1HE LYS 93 -13.417 -12.168 -3.295 657 2HE LYS 93 2HE LYS 93 -12.394 -12.902 -2.076 658 1HZ LYS 93 1HZ LYS 93 -14.117 -10.769 -1.111 659 2HZ LYS 93 2HZ LYS 93 -14.900 -12.113 -1.592 660 H LYS 94 H LYS 94 -10.147 -11.002 -7.830 661 HA LYS 94 HA LYS 94 -7.515 -10.028 -7.717 662 1HB LYS 94 1HB LYS 94 -8.301 -12.286 -8.540 663 2HB LYS 94 2HB LYS 94 -8.843 -11.498 -10.008 664 1HG LYS 94 1HG LYS 94 -6.192 -10.550 -9.573 665 2HG LYS 94 2HG LYS 94 -6.136 -12.268 -9.229 666 1HD LYS 94 1HD LYS 94 -7.686 -12.208 -11.535 667 2HD LYS 94 2HD LYS 94 -6.587 -10.872 -11.814 668 1HE LYS 94 1HE LYS 94 -4.987 -12.363 -12.414 669 2HE LYS 94 2HE LYS 94 -4.962 -12.957 -10.766 670 1HZ LYS 94 1HZ LYS 94 -5.873 -14.324 -13.006 671 2HZ LYS 94 2HZ LYS 94 -5.945 -14.836 -11.462 672 H LYS 95 H LYS 95 -10.396 -8.619 -8.885 673 HA LYS 95 HA LYS 95 -8.799 -6.795 -10.545 674 1HB LYS 95 1HB LYS 95 -10.706 -8.489 -11.535 675 2HB LYS 95 2HB LYS 95 -11.668 -7.062 -11.206 676 1HG LYS 95 1HG LYS 95 -10.406 -5.701 -12.679 677 2HG LYS 95 2HG LYS 95 -9.004 -6.750 -12.613 678 1HD LYS 95 1HD LYS 95 -10.891 -8.478 -13.652 679 2HD LYS 95 2HD LYS 95 -11.445 -6.954 -14.314 680 1HE LYS 95 1HE LYS 95 -9.907 -7.650 -15.952 681 2HE LYS 95 2HE LYS 95 -8.921 -6.581 -14.974 682 1HZ LYS 95 1HZ LYS 95 -8.076 -8.531 -13.783 683 2HZ LYS 95 2HZ LYS 95 -9.014 -9.534 -14.658 684 H ASP 96 H ASP 96 -10.460 -7.256 -7.675 685 HA ASP 96 HA ASP 96 -11.351 -4.482 -7.672 686 1HB ASP 96 1HB ASP 96 -12.486 -6.969 -6.636 687 2HB ASP 96 2HB ASP 96 -12.272 -5.821 -5.329 688 H LEU 97 H LEU 97 -8.980 -6.740 -6.600 689 HA LEU 97 HA LEU 97 -8.243 -4.981 -4.364 690 1HB LEU 97 1HB LEU 97 -7.925 -7.962 -4.695 691 2HB LEU 97 2HB LEU 97 -7.062 -7.034 -3.485 692 HG LEU 97 HG LEU 97 -10.039 -7.501 -3.695 693 1HD1 LEU 97 3HD1 LEU 97 -8.414 -9.177 -2.606 694 2HD1 LEU 97 1HD1 LEU 97 -8.273 -7.975 -1.301 695 3HD1 LEU 97 2HD1 LEU 97 -9.859 -8.682 -1.692 696 1HD2 LEU 97 1HD2 LEU 97 -8.576 -5.288 -2.362 697 2HD2 LEU 97 2HD2 LEU 97 -10.238 -5.359 -2.997 698 3HD2 LEU 97 3HD2 LEU 97 -9.857 -6.087 -1.418 699 H THR 98 H THR 98 -7.181 -6.912 -7.199 700 HA THR 98 HA THR 98 -4.675 -5.361 -7.144 701 HB THR 98 HB THR 98 -3.535 -7.337 -7.933 702 HG1 THR 98 HG1 THR 98 -4.965 -8.230 -9.430 703 1HG2 THR 98 2HG2 THR 98 -5.710 -8.283 -5.991 704 2HG2 THR 98 3HG2 THR 98 -4.213 -9.170 -6.366 705 3HG2 THR 98 1HG2 THR 98 -4.132 -7.605 -5.522 706 H GLY 99 H GLY 99 -7.473 -4.918 -8.377 707 1HA GLY 99 1HA GLY 99 -7.198 -5.253 -11.177 708 2HA GLY 99 2HA GLY 99 -8.334 -4.217 -10.337 709 H CYS 100 H CYS 100 -6.647 -3.732 -12.803 710 HA CYS 100 HA CYS 100 -4.753 -1.757 -11.901 711 1HB CYS 100 1HB CYS 100 -5.432 -3.049 -14.499 712 2HB CYS 100 2HB CYS 100 -4.717 -1.450 -14.552 713 H LYS 101 H LYS 101 -7.833 -1.989 -13.809 714 HA LYS 101 HA LYS 101 -8.339 0.805 -13.083 715 1HB LYS 101 1HB LYS 101 -7.522 0.679 -15.424 716 2HB LYS 101 2HB LYS 101 -8.837 -0.410 -15.817 717 1HG LYS 101 1HG LYS 101 -10.350 1.518 -14.754 718 2HG LYS 101 2HG LYS 101 -8.958 2.526 -15.096 719 1HD LYS 101 1HD LYS 101 -9.628 2.678 -17.254 720 2HD LYS 101 2HD LYS 101 -9.354 0.958 -17.442 721 1HE LYS 101 1HE LYS 101 -11.795 1.005 -16.101 722 2HE LYS 101 2HE LYS 101 -11.909 2.435 -17.108 723 1HZ LYS 101 1HZ LYS 101 -12.675 0.603 -18.401 724 2HZ LYS 101 2HZ LYS 101 -11.206 0.952 -19.010 725 H LYS 102 H LYS 102 -10.463 1.269 -12.486 726 HA LYS 102 HA LYS 102 -12.547 0.891 -11.854 727 1HB LYS 102 1HB LYS 102 -12.259 -0.983 -14.120 728 2HB LYS 102 2HB LYS 102 -13.531 -1.399 -12.989 729 1HG LYS 102 1HG LYS 102 -14.086 1.224 -13.168 730 2HG LYS 102 2HG LYS 102 -13.242 1.074 -14.696 731 1HD LYS 102 1HD LYS 102 -14.925 -1.161 -14.706 732 2HD LYS 102 2HD LYS 102 -15.908 0.055 -13.914 733 1HE LYS 102 1HE LYS 102 -16.276 1.131 -15.880 734 2HE LYS 102 2HE LYS 102 -14.556 1.263 -16.189 735 1HZ LYS 102 1HZ LYS 102 -16.382 -0.892 -17.016 736 2HZ LYS 102 2HZ LYS 102 -15.282 -0.094 -17.913 737 H SER 103 H SER 103 -10.549 0.227 -10.111 738 HA SER 103 HA SER 103 -11.585 -2.250 -8.970 739 1HB SER 103 1HB SER 103 -9.109 -2.010 -7.808 740 2HB SER 103 2HB SER 103 -9.447 -2.996 -9.217 741 HG SER 103 HG SER 103 -8.637 -0.219 -9.354 742 H LYS 104 H LYS 104 -10.483 -2.120 -6.420 743 HA LYS 104 HA LYS 104 -12.066 -0.051 -5.261 744 1HB LYS 104 1HB LYS 104 -10.245 -2.160 -4.070 745 2HB LYS 104 2HB LYS 104 -11.205 -1.046 -3.118 746 1HG LYS 104 1HG LYS 104 -12.690 -2.490 -5.275 747 2HG LYS 104 2HG LYS 104 -12.099 -3.499 -3.970 748 1HD LYS 104 1HD LYS 104 -13.149 -1.350 -2.566 749 2HD LYS 104 2HD LYS 104 -14.233 -1.425 -3.941 750 1HE LYS 104 1HE LYS 104 -13.570 -4.046 -2.636 751 2HE LYS 104 2HE LYS 104 -14.560 -2.945 -1.699 752 1HZ LYS 104 1HZ LYS 104 -15.378 -3.219 -4.466 753 2HZ LYS 104 2HZ LYS 104 -15.540 -4.582 -3.589 754 H CYS 105 H CYS 105 -8.662 -0.541 -6.112 755 HA CYS 105 HA CYS 105 -7.804 1.653 -4.473 756 1HB CYS 105 1HB CYS 105 -6.303 0.041 -6.564 757 2HB CYS 105 2HB CYS 105 -5.588 1.234 -5.496 758 H HIS 106 H HIS 106 -7.659 0.906 -8.042 759 HA HIS 106 HA HIS 106 -7.788 3.775 -8.526 760 1HB HIS 106 1HB HIS 106 -7.036 1.468 -10.343 761 2HB HIS 106 2HB HIS 106 -7.077 3.151 -10.831 762 HD1 HIS 106 HD1 HIS 106 -5.557 4.681 -8.821 763 HD2 HIS 106 HD2 HIS 106 -4.458 0.766 -9.849 764 HE1 HIS 106 HE1 HIS 106 -3.101 4.436 -8.177 765 H GLU 107 H GLU 107 -9.590 4.744 -9.356 766 HA GLU 107 HA GLU 107 -11.650 2.920 -10.329 767 1HB GLU 107 1HB GLU 107 -11.870 5.378 -8.564 768 2HB GLU 107 2HB GLU 107 -13.244 4.825 -9.502 769 1HG GLU 107 1HG GLU 107 -11.706 2.908 -7.710 770 2HG GLU 107 2HG GLU 107 -12.967 3.933 -7.056 771 HHA HEC 108 HHA HEC 108 -0.841 6.701 7.473 772 HHB HEC 108 HHB HEC 108 -1.654 4.080 13.267 773 HHC HEC 108 HHC HEC 108 -2.622 -1.643 10.554 774 HHD HEC 108 HHD HEC 108 -1.083 0.883 4.795 775 1HMA HEC 108 1HMA HEC 108 -1.769 6.143 13.459 776 2HMA HEC 108 2HMA HEC 108 -0.163 6.822 13.100 777 3HMA HEC 108 3HMA HEC 108 -1.630 7.720 12.644 778 1HAA HEC 108 1HAA HEC 108 -1.125 8.259 8.888 779 2HAA HEC 108 2HAA HEC 108 -1.135 8.664 10.621 780 1HBA HEC 108 1HBA HEC 108 1.374 7.459 10.027 781 2HBA HEC 108 2HBA HEC 108 1.041 8.691 8.786 782 1HMB HEC 108 1HMB HEC 108 -3.695 2.018 14.719 783 2HMB HEC 108 2HMB HEC 108 -2.263 1.062 15.170 784 3HMB HEC 108 3HMB HEC 108 -2.086 2.778 14.732 785 HAB HEC 108 HAB HEC 108 -3.322 -1.748 12.415 786 1HBB HEC 108 1HBB HEC 108 -4.250 -1.442 14.938 787 2HBB HEC 108 2HBB HEC 108 -4.466 0.208 14.307 788 3HBB HEC 108 3HBB HEC 108 -5.219 -1.170 13.469 789 1HMC HEC 108 1HMC HEC 108 -2.703 -3.103 9.165 790 2HMC HEC 108 2HMC HEC 108 -3.507 -3.241 7.583 791 3HMC HEC 108 3HMC HEC 108 -1.781 -3.646 7.742 792 HAC HEC 108 HAC HEC 108 -1.997 -1.015 4.460 793 1HBC HEC 108 1HBC HEC 108 -3.657 -2.693 5.669 794 2HBC HEC 108 2HBC HEC 108 -3.004 -3.011 4.044 795 3HBC HEC 108 3HBC HEC 108 -2.283 -3.806 5.464 796 1HMD HEC 108 1HMD HEC 108 0.188 3.989 3.046 797 2HMD HEC 108 2HMD HEC 108 0.215 2.269 3.504 798 3HMD HEC 108 3HMD HEC 108 -1.315 3.035 3.015 799 1HAD HEC 108 1HAD HEC 108 -0.512 6.915 5.497 800 2HAD HEC 108 2HAD HEC 108 0.909 6.131 4.766 801 1HBD HEC 108 1HBD HEC 108 -1.294 5.373 3.184 802 2HBD HEC 108 2HBD HEC 108 -1.486 7.111 3.517 803 HHA HEC 109 HHA HEC 109 11.649 -2.239 1.704 804 HHB HEC 109 HHB HEC 109 5.287 -1.500 1.393 805 HHC HEC 109 HHC HEC 109 5.656 3.358 5.561 806 HHD HEC 109 HHD HEC 109 12.114 3.299 4.901 807 1HMA HEC 109 1HMA HEC 109 6.795 -3.317 -0.854 808 2HMA HEC 109 2HMA HEC 109 6.966 -4.555 0.414 809 3HMA HEC 109 3HMA HEC 109 5.736 -3.278 0.576 810 1HAA HEC 109 1HAA HEC 109 10.897 -3.860 0.781 811 2HAA HEC 109 2HAA HEC 109 9.431 -4.784 0.377 812 1HBA HEC 109 1HBA HEC 109 9.215 -3.452 -1.703 813 2HBA HEC 109 2HBA HEC 109 10.751 -2.645 -1.307 814 1HMB HEC 109 1HMB HEC 109 2.330 0.452 2.642 815 2HMB HEC 109 2HMB HEC 109 3.334 -0.502 1.525 816 3HMB HEC 109 3HMB HEC 109 2.959 -1.136 3.145 817 HAB HEC 109 HAB HEC 109 3.746 2.873 5.386 818 1HBB HEC 109 1HBB HEC 109 1.324 1.876 5.208 819 2HBB HEC 109 2HBB HEC 109 2.191 0.424 4.653 820 3HBB HEC 109 3HBB HEC 109 2.552 1.119 6.252 821 1HMC HEC 109 1HMC HEC 109 6.454 4.922 6.621 822 2HMC HEC 109 2HMC HEC 109 7.787 5.147 7.779 823 3HMC HEC 109 3HMC HEC 109 7.687 6.172 6.328 824 HAC HEC 109 HAC HEC 109 11.689 4.812 6.067 825 1HBC HEC 109 1HBC HEC 109 11.522 5.830 8.220 826 2HBC HEC 109 2HBC HEC 109 9.750 5.664 8.227 827 3HBC HEC 109 3HBC HEC 109 10.780 4.215 8.317 828 1HMD HEC 109 1HMD HEC 109 15.056 1.376 3.507 829 2HMD HEC 109 2HMD HEC 109 14.092 2.819 3.904 830 3HMD HEC 109 3HMD HEC 109 14.366 1.565 5.137 831 1HAD HEC 109 1HAD HEC 109 13.605 -1.969 2.210 832 2HAD HEC 109 2HAD HEC 109 14.347 -0.538 1.455 833 1HBD HEC 109 1HBD HEC 109 14.960 -0.533 4.253 834 2HBD HEC 109 2HBD HEC 109 15.342 -2.130 3.568 835 HHA HEC 110 HHA HEC 110 -10.211 -4.812 0.866 836 HHB HEC 110 HHB HEC 110 -6.445 0.097 -0.817 837 HHC HEC 110 HHC HEC 110 -1.488 -2.736 2.083 838 HHD HEC 110 HHD HEC 110 -5.122 -7.910 3.234 839 1HMA HEC 110 1HMA HEC 110 -10.201 -0.055 -1.377 840 2HMA HEC 110 2HMA HEC 110 -8.677 0.716 -0.877 841 3HMA HEC 110 3HMA HEC 110 -8.748 -0.216 -2.392 842 1HAA HEC 110 1HAA HEC 110 -11.293 -1.937 -1.340 843 2HAA HEC 110 2HAA HEC 110 -11.181 -3.640 -0.836 844 1HBA HEC 110 1HBA HEC 110 -11.258 -2.182 1.551 845 2HBA HEC 110 2HBA HEC 110 -12.445 -1.400 0.480 846 1HMB HEC 110 1HMB HEC 110 -3.506 0.817 -1.876 847 2HMB HEC 110 2HMB HEC 110 -4.887 1.365 -0.896 848 3HMB HEC 110 3HMB HEC 110 -3.224 1.703 -0.358 849 HAB HEC 110 HAB HEC 110 -0.794 -1.088 1.192 850 1HBB HEC 110 1HBB HEC 110 -2.023 1.270 1.577 851 2HBB HEC 110 2HBB HEC 110 -0.254 1.081 1.498 852 3HBB HEC 110 3HBB HEC 110 -1.156 1.629 0.065 853 1HMC HEC 110 1HMC HEC 110 -0.229 -4.283 2.519 854 2HMC HEC 110 2HMC HEC 110 -0.281 -5.478 3.837 855 3HMC HEC 110 3HMC HEC 110 -0.037 -6.015 2.158 856 HAC HEC 110 HAC HEC 110 -3.186 -8.099 4.261 857 1HBC HEC 110 1HBC HEC 110 -0.939 -8.647 4.872 858 2HBC HEC 110 2HBC HEC 110 -0.277 -7.502 3.680 859 3HBC HEC 110 3HBC HEC 110 -1.168 -6.896 5.097 860 1HMD HEC 110 1HMD HEC 110 -8.642 -9.281 3.191 861 2HMD HEC 110 2HMD HEC 110 -6.872 -9.333 3.017 862 3HMD HEC 110 3HMD HEC 110 -7.602 -8.578 4.453 863 1HAD HEC 110 1HAD HEC 110 -10.339 -8.150 2.732 864 2HAD HEC 110 2HAD HEC 110 -10.854 -6.447 2.685 865 1HBD HEC 110 1HBD HEC 110 -11.566 -6.631 0.588 866 2HBD HEC 110 2HBD HEC 110 -10.062 -7.422 0.058 867 HHA HEC 111 HHA HEC 111 0.301 5.527 -7.693 868 HHB HEC 111 HHB HEC 111 -0.634 1.964 -12.938 869 HHC HEC 111 HHC HEC 111 -3.309 -2.641 -9.373 870 HHD HEC 111 HHD HEC 111 -3.078 1.316 -4.240 871 1HMA HEC 111 1HMA HEC 111 1.893 4.022 -12.866 872 2HMA HEC 111 2HMA HEC 111 0.267 3.678 -13.504 873 3HMA HEC 111 3HMA HEC 111 0.705 5.338 -13.031 874 1HAA HEC 111 1HAA HEC 111 0.678 6.858 -10.708 875 2HAA HEC 111 2HAA HEC 111 1.341 6.354 -9.135 876 1HBA HEC 111 1HBA HEC 111 3.351 5.692 -10.043 877 2HBA HEC 111 2HBA HEC 111 2.662 5.427 -11.662 878 1HMB HEC 111 1HMB HEC 111 -0.105 -0.132 -13.835 879 2HMB HEC 111 2HMB HEC 111 -0.965 -1.680 -14.013 880 3HMB HEC 111 3HMB HEC 111 -1.801 -0.151 -14.377 881 HAB HEC 111 HAB HEC 111 -3.434 -3.178 -11.491 882 1HBB HEC 111 1HBB HEC 111 -1.099 -4.429 -12.519 883 2HBB HEC 111 2HBB HEC 111 -0.626 -3.469 -11.097 884 3HBB HEC 111 3HBB HEC 111 -1.912 -4.691 -10.958 885 1HMC HEC 111 1HMC HEC 111 -5.757 -2.793 -6.692 886 2HMC HEC 111 2HMC HEC 111 -4.608 -3.332 -7.939 887 3HMC HEC 111 3HMC HEC 111 -4.281 -3.670 -6.222 888 HAC HEC 111 HAC HEC 111 -3.992 -0.358 -3.660 889 1HBC HEC 111 1HBC HEC 111 -5.123 -3.074 -4.108 890 2HBC HEC 111 2HBC HEC 111 -3.356 -2.884 -4.205 891 3HBC HEC 111 3HBC HEC 111 -4.221 -2.412 -2.723 892 1HMD HEC 111 1HMD HEC 111 -2.797 3.444 -3.071 893 2HMD HEC 111 2HMD HEC 111 -1.255 2.601 -2.793 894 3HMD HEC 111 3HMD HEC 111 -1.304 4.380 -2.817 895 1HAD HEC 111 1HAD HEC 111 0.560 5.342 -4.113 896 2HAD HEC 111 2HAD HEC 111 0.572 5.982 -5.774 897 1HBD HEC 111 1HBD HEC 111 -1.811 6.800 -5.272 898 2HBD HEC 111 2HBD HEC 111 -1.412 6.486 -3.566 No H/Q in entry = 898 Start of MODEL 16 1 1H ALA 1 1H ALA 1 -1.495 4.273 23.685 2 2H ALA 1 2H ALA 1 -1.857 5.859 23.372 3 HA ALA 1 HA ALA 1 -0.440 5.004 21.715 4 1HB ALA 1 3HB ALA 1 -2.500 2.841 21.790 5 2HB ALA 1 1HB ALA 1 -1.817 3.247 20.198 6 3HB ALA 1 2HB ALA 1 -0.743 2.738 21.524 7 HA PRO 2 HA PRO 2 -2.602 7.701 19.117 8 1HB PRO 2 1HB PRO 2 -1.336 7.375 16.717 9 2HB PRO 2 2HB PRO 2 -0.678 8.339 18.024 10 1HG PRO 2 1HG PRO 2 0.144 5.651 17.108 11 2HG PRO 2 2HG PRO 2 1.031 6.791 18.100 12 1HD PRO 2 1HD PRO 2 -0.336 4.435 18.999 13 2HD PRO 2 2HD PRO 2 0.452 5.637 20.002 14 H LYS 3 H LYS 3 -2.658 4.377 18.480 15 HA LYS 3 HA LYS 3 -4.079 3.079 17.394 16 1HB LYS 3 1HB LYS 3 -5.676 5.200 18.601 17 2HB LYS 3 2HB LYS 3 -6.464 4.524 17.190 18 1HG LYS 3 1HG LYS 3 -5.266 2.779 19.385 19 2HG LYS 3 2HG LYS 3 -6.925 3.341 19.433 20 1HD LYS 3 1HD LYS 3 -7.197 2.313 17.073 21 2HD LYS 3 2HD LYS 3 -5.643 1.544 17.330 22 1HE LYS 3 1HE LYS 3 -6.470 0.069 18.916 23 2HE LYS 3 2HE LYS 3 -7.615 1.229 19.560 24 1HZ LYS 3 1HZ LYS 3 -8.996 0.877 17.575 25 2HZ LYS 3 2HZ LYS 3 -7.930 -0.197 16.972 26 H ALA 4 H ALA 4 -5.838 3.121 15.420 27 HA ALA 4 HA ALA 4 -4.298 4.040 13.216 28 1HB ALA 4 3HB ALA 4 -5.992 1.990 13.590 29 2HB ALA 4 1HB ALA 4 -7.144 3.162 12.905 30 3HB ALA 4 2HB ALA 4 -5.696 2.693 11.982 31 HA PRO 5 HA PRO 5 -6.141 7.920 12.692 32 1HB PRO 5 1HB PRO 5 -5.587 8.403 10.060 33 2HB PRO 5 2HB PRO 5 -4.417 8.635 11.343 34 1HG PRO 5 1HG PRO 5 -4.574 6.459 9.348 35 2HG PRO 5 2HG PRO 5 -3.213 6.942 10.342 36 1HD PRO 5 1HD PRO 5 -4.918 4.672 10.752 37 2HD PRO 5 2HD PRO 5 -3.632 5.221 11.807 38 H ALA 6 H ALA 6 -7.754 9.252 11.439 39 HA ALA 6 HA ALA 6 -10.103 7.743 11.295 40 1HB ALA 6 1HB ALA 6 -9.615 10.316 11.639 41 2HB ALA 6 2HB ALA 6 -9.763 10.375 9.867 42 3HB ALA 6 3HB ALA 6 -11.123 9.789 10.854 43 H ASP 7 H ASP 7 -11.552 7.790 9.223 44 HA ASP 7 HA ASP 7 -10.037 6.414 7.243 45 1HB ASP 7 1HB ASP 7 -12.995 7.144 7.453 46 2HB ASP 7 2HB ASP 7 -12.333 6.178 6.149 47 H GLY 8 H GLY 8 -10.563 6.991 4.805 48 1HA GLY 8 1HA GLY 8 -10.984 8.546 3.151 49 2HA GLY 8 2HA GLY 8 -11.133 9.815 4.351 50 H LEU 9 H LEU 9 -8.405 7.642 4.734 51 HA LEU 9 HA LEU 9 -6.598 9.809 4.327 52 1HB LEU 9 1HB LEU 9 -6.155 8.305 6.093 53 2HB LEU 9 2HB LEU 9 -6.296 6.903 5.051 54 HG LEU 9 HG LEU 9 -3.951 7.845 5.850 55 1HD1 LEU 9 2HD1 LEU 9 -4.748 5.957 4.097 56 2HD1 LEU 9 3HD1 LEU 9 -3.872 7.049 2.997 57 3HD1 LEU 9 1HD1 LEU 9 -3.044 6.360 4.414 58 1HD2 LEU 9 1HD2 LEU 9 -4.527 10.087 4.720 59 2HD2 LEU 9 2HD2 LEU 9 -2.904 9.401 4.463 60 3HD2 LEU 9 3HD2 LEU 9 -4.144 9.255 3.194 61 H LYS 10 H LYS 10 -6.681 10.503 2.179 62 HA LYS 10 HA LYS 10 -6.311 8.501 0.113 63 1HB LYS 10 1HB LYS 10 -7.995 10.163 -0.304 64 2HB LYS 10 2HB LYS 10 -6.887 11.473 0.051 65 1HG LYS 10 1HG LYS 10 -5.467 10.801 -1.899 66 2HG LYS 10 2HG LYS 10 -6.575 9.491 -2.254 67 1HD LYS 10 1HD LYS 10 -7.230 11.268 -3.715 68 2HD LYS 10 2HD LYS 10 -8.434 11.262 -2.441 69 1HE LYS 10 1HE LYS 10 -6.137 12.955 -1.728 70 2HE LYS 10 2HE LYS 10 -6.847 13.457 -3.249 71 1HZ LYS 10 1HZ LYS 10 -7.972 14.521 -1.386 72 2HZ LYS 10 2HZ LYS 10 -9.026 13.525 -2.125 73 H MET 11 H MET 11 -4.491 8.380 -1.257 74 HA MET 11 HA MET 11 -2.185 9.790 -0.160 75 1HB MET 11 1HB MET 11 -2.187 7.231 -1.844 76 2HB MET 11 2HB MET 11 -0.851 7.868 -0.904 77 1HG MET 11 1HG MET 11 -1.820 7.235 1.161 78 2HG MET 11 2HG MET 11 -3.446 7.205 0.510 79 1HE MET 11 1HE MET 11 -0.012 6.045 -0.030 80 2HE MET 11 2HE MET 11 -0.174 4.557 0.935 81 3HE MET 11 3HE MET 11 -0.132 4.466 -0.843 82 H GLU 12 H GLU 12 -2.099 11.654 -1.436 83 HA GLU 12 HA GLU 12 -2.156 11.200 -4.309 84 1HB GLU 12 1HB GLU 12 -3.781 12.858 -3.367 85 2HB GLU 12 2HB GLU 12 -2.443 13.808 -2.753 86 1HG GLU 12 1HG GLU 12 -2.304 13.101 -5.660 87 2HG GLU 12 2HG GLU 12 -3.585 14.208 -5.209 88 H ALA 13 H ALA 13 0.117 10.234 -3.817 89 HA ALA 13 HA ALA 13 2.081 12.415 -3.668 90 1HB ALA 13 2HB ALA 13 2.281 9.445 -3.028 91 2HB ALA 13 3HB ALA 13 3.659 10.573 -3.019 92 3HB ALA 13 1HB ALA 13 2.317 10.797 -1.870 93 H THR 14 H THR 14 0.433 10.295 -5.771 94 HA THR 14 HA THR 14 2.518 10.708 -7.796 95 HB THR 14 HB THR 14 2.384 8.411 -8.481 96 HG1 THR 14 HG1 THR 14 0.055 8.524 -6.705 97 1HG2 THR 14 3HG2 THR 14 2.076 8.450 -5.432 98 2HG2 THR 14 1HG2 THR 14 2.602 7.036 -6.376 99 3HG2 THR 14 2HG2 THR 14 3.613 8.500 -6.328 100 H LYS 15 H LYS 15 1.475 10.048 -10.064 101 HA LYS 15 HA LYS 15 -0.579 11.932 -10.439 102 1HB LYS 15 1HB LYS 15 1.210 11.273 -12.087 103 2HB LYS 15 2HB LYS 15 0.345 9.772 -12.353 104 1HG LYS 15 1HG LYS 15 -1.146 10.791 -13.728 105 2HG LYS 15 2HG LYS 15 -1.523 12.000 -12.516 106 1HD LYS 15 1HD LYS 15 1.011 12.795 -13.370 107 2HD LYS 15 2HD LYS 15 0.301 12.174 -14.848 108 1HE LYS 15 1HE LYS 15 -1.316 14.043 -13.092 109 2HE LYS 15 2HE LYS 15 -0.087 14.706 -14.151 110 1HZ LYS 15 1HZ LYS 15 -1.259 14.064 -16.019 111 2HZ LYS 15 2HZ LYS 15 -1.992 12.796 -15.307 112 H GLN 16 H GLN 16 -0.628 8.785 -9.151 113 HA GLN 16 HA GLN 16 -3.473 8.641 -9.764 114 1HB GLN 16 1HB GLN 16 -1.654 6.215 -9.470 115 2HB GLN 16 2HB GLN 16 -3.343 6.213 -9.936 116 1HG GLN 16 1HG GLN 16 -1.553 7.921 -11.618 117 2HG GLN 16 2HG GLN 16 -1.263 6.196 -11.726 118 1HE2 GLN 16 2HE2 GLN 16 -4.601 5.406 -12.908 119 2HE2 GLN 16 1HE2 GLN 16 -3.432 4.893 -11.737 120 HA PRO 17 HA PRO 17 -3.120 8.709 -5.321 121 1HB PRO 17 1HB PRO 17 -5.478 10.006 -4.843 122 2HB PRO 17 2HB PRO 17 -3.956 10.841 -5.080 123 1HG PRO 17 1HG PRO 17 -6.231 10.568 -6.948 124 2HG PRO 17 2HG PRO 17 -4.912 11.722 -6.985 125 1HD PRO 17 1HD PRO 17 -5.204 9.396 -8.638 126 2HD PRO 17 2HD PRO 17 -3.831 10.485 -8.594 127 H VAL 18 H VAL 18 -4.436 7.866 -3.472 128 HA VAL 18 HA VAL 18 -6.535 6.087 -4.359 129 HB VAL 18 HB VAL 18 -3.933 5.109 -3.173 130 1HG1 VAL 18 2HG1 VAL 18 -6.655 3.838 -3.303 131 2HG1 VAL 18 3HG1 VAL 18 -5.198 2.826 -3.445 132 3HG1 VAL 18 1HG1 VAL 18 -5.452 3.819 -1.991 133 1HG2 VAL 18 3HG2 VAL 18 -5.294 4.803 -5.839 134 2HG2 VAL 18 1HG2 VAL 18 -3.594 5.175 -5.468 135 3HG2 VAL 18 2HG2 VAL 18 -4.215 3.523 -5.236 136 H VAL 19 H VAL 19 -7.845 5.321 -2.569 137 HA VAL 19 HA VAL 19 -7.334 6.862 -0.117 138 HB VAL 19 HB VAL 19 -9.898 6.177 -1.554 139 1HG1 VAL 19 1HG1 VAL 19 -10.051 5.782 0.937 140 2HG1 VAL 19 2HG1 VAL 19 -9.691 7.511 1.161 141 3HG1 VAL 19 3HG1 VAL 19 -11.164 7.014 0.293 142 1HG2 VAL 19 2HG2 VAL 19 -8.198 8.417 -1.642 143 2HG2 VAL 19 3HG2 VAL 19 -9.846 8.281 -2.299 144 3HG2 VAL 19 1HG2 VAL 19 -9.593 8.914 -0.655 145 H PHE 20 H PHE 20 -6.639 5.545 1.482 146 HA PHE 20 HA PHE 20 -7.444 2.742 1.388 147 1HB PHE 20 1HB PHE 20 -5.029 3.511 1.655 148 2HB PHE 20 2HB PHE 20 -5.485 4.410 3.088 149 HD1 PHE 20 HD2 PHE 20 -5.341 0.946 1.699 150 HD2 PHE 20 HD1 PHE 20 -5.438 3.387 5.210 151 HE1 PHE 20 HE2 PHE 20 -4.862 -1.094 3.139 152 HE2 PHE 20 HE1 PHE 20 -4.959 1.339 6.639 153 HZ PHE 20 HZ PHE 20 -4.659 -0.903 5.481 154 H ASN 21 H ASN 21 -7.841 1.703 3.633 155 HA ASN 21 HA ASN 21 -9.255 3.560 5.351 156 1HB ASN 21 1HB ASN 21 -10.383 0.890 4.353 157 2HB ASN 21 2HB ASN 21 -11.149 1.910 5.555 158 1HD2 ASN 21 2HD2 ASN 21 -12.280 4.417 3.332 159 2HD2 ASN 21 1HD2 ASN 21 -11.801 4.057 4.957 160 H HIS 22 H HIS 22 -8.858 3.071 7.547 161 HA HIS 22 HA HIS 22 -7.161 0.775 8.028 162 1HB HIS 22 1HB HIS 22 -7.780 3.332 9.451 163 2HB HIS 22 2HB HIS 22 -7.239 1.969 10.410 164 HD1 HIS 22 HD1 HIS 22 -6.051 4.517 7.949 165 HD2 HIS 22 HD2 HIS 22 -4.552 1.107 9.879 166 HE1 HIS 22 HE1 HIS 22 -3.522 4.556 7.609 167 H SER 23 H SER 23 -10.466 1.486 7.973 168 HA SER 23 HA SER 23 -11.066 -0.170 10.255 169 1HB SER 23 1HB SER 23 -12.541 1.657 10.158 170 2HB SER 23 2HB SER 23 -12.655 1.612 8.410 171 HG SER 23 HG SER 23 -13.899 -0.156 10.323 172 H THR 24 H THR 24 -10.211 -0.611 7.035 173 HA THR 24 HA THR 24 -11.997 -2.915 6.678 174 HB THR 24 HB THR 24 -10.283 -1.230 4.785 175 HG1 THR 24 HG1 THR 24 -12.280 -0.283 4.723 176 1HG2 THR 24 1HG2 THR 24 -10.807 -3.939 4.402 177 2HG2 THR 24 2HG2 THR 24 -12.238 -3.174 3.670 178 3HG2 THR 24 3HG2 THR 24 -10.608 -2.754 3.089 179 H HIS 25 H HIS 25 -8.632 -1.925 7.194 180 HA HIS 25 HA HIS 25 -7.838 -4.713 6.852 181 1HB HIS 25 1HB HIS 25 -6.165 -2.195 7.063 182 2HB HIS 25 2HB HIS 25 -5.528 -3.815 6.869 183 HD1 HIS 25 HD1 HIS 25 -7.776 -1.344 5.002 184 HD2 HIS 25 HD2 HIS 25 -5.293 -4.642 4.257 185 HE1 HIS 25 HE1 HIS 25 -7.631 -1.572 2.464 186 H LYS 26 H LYS 26 -9.495 -3.942 9.096 187 HA LYS 26 HA LYS 26 -7.892 -3.440 11.364 188 1HB LYS 26 1HB LYS 26 -10.657 -4.675 11.208 189 2HB LYS 26 2HB LYS 26 -9.914 -3.957 12.622 190 1HG LYS 26 1HG LYS 26 -9.798 -1.755 11.476 191 2HG LYS 26 2HG LYS 26 -10.465 -2.459 10.016 192 1HD LYS 26 1HD LYS 26 -12.424 -1.630 10.940 193 2HD LYS 26 2HD LYS 26 -12.431 -3.222 11.672 194 1HE LYS 26 1HE LYS 26 -10.817 -1.557 13.361 195 2HE LYS 26 2HE LYS 26 -12.252 -0.630 12.971 196 1HZ LYS 26 1HZ LYS 26 -12.038 -2.920 14.653 197 2HZ LYS 26 2HZ LYS 26 -13.283 -1.880 14.512 198 H SER 27 H SER 27 -9.069 -6.404 9.707 199 HA SER 27 HA SER 27 -8.175 -8.120 11.736 200 1HB SER 27 1HB SER 27 -8.770 -9.891 10.254 201 2HB SER 27 2HB SER 27 -9.909 -8.604 9.910 202 HG SER 27 HG SER 27 -9.205 -8.570 7.896 203 H VAL 28 H VAL 28 -6.538 -6.214 9.401 204 HA VAL 28 HA VAL 28 -4.325 -8.061 9.096 205 HB VAL 28 HB VAL 28 -4.650 -5.222 8.112 206 1HG1 VAL 28 1HG1 VAL 28 -2.353 -6.572 8.209 207 2HG1 VAL 28 2HG1 VAL 28 -2.999 -7.285 6.711 208 3HG1 VAL 28 3HG1 VAL 28 -2.773 -5.523 6.833 209 1HG2 VAL 28 3HG2 VAL 28 -5.502 -7.851 6.872 210 2HG2 VAL 28 1HG2 VAL 28 -6.489 -6.403 7.188 211 3HG2 VAL 28 2HG2 VAL 28 -5.242 -6.371 5.917 212 H LYS 29 H LYS 29 -2.288 -7.816 10.045 213 HA LYS 29 HA LYS 29 -2.290 -6.384 12.506 214 1HB LYS 29 1HB LYS 29 -0.850 -8.535 11.316 215 2HB LYS 29 2HB LYS 29 0.322 -7.311 11.761 216 1HG LYS 29 1HG LYS 29 -1.318 -7.298 13.987 217 2HG LYS 29 2HG LYS 29 -1.430 -8.978 13.502 218 1HD LYS 29 1HD LYS 29 0.571 -9.335 14.507 219 2HD LYS 29 2HD LYS 29 1.318 -8.368 13.251 220 1HE LYS 29 1HE LYS 29 1.996 -7.105 15.064 221 2HE LYS 29 2HE LYS 29 0.439 -6.341 14.812 222 1HZ LYS 29 1HZ LYS 29 1.274 -7.764 17.069 223 2HZ LYS 29 2HZ LYS 29 -0.177 -7.065 16.830 224 H CYS 30 H CYS 30 -1.301 -4.453 13.047 225 HA CYS 30 HA CYS 30 -0.988 -2.573 11.052 226 1HB CYS 30 1HB CYS 30 0.387 -2.360 13.718 227 2HB CYS 30 2HB CYS 30 -0.287 -1.084 12.725 228 H GLY 31 H GLY 31 1.237 -4.935 12.517 229 1HA GLY 31 1HA GLY 31 3.638 -3.735 11.500 230 2HA GLY 31 2HA GLY 31 3.454 -5.316 12.233 231 H ASP 32 H ASP 32 1.026 -5.286 9.981 232 HA ASP 32 HA ASP 32 2.533 -6.930 8.238 233 1HB ASP 32 1HB ASP 32 0.066 -7.206 8.885 234 2HB ASP 32 2HB ASP 32 -0.290 -5.835 7.854 235 H CYS 33 H CYS 33 1.186 -3.607 8.297 236 HA CYS 33 HA CYS 33 2.146 -3.192 5.569 237 1HB CYS 33 1HB CYS 33 -0.012 -1.938 7.214 238 2HB CYS 33 2HB CYS 33 0.824 -0.914 6.064 239 H HIS 34 H HIS 34 2.024 -1.647 8.865 240 HA HIS 34 HA HIS 34 4.145 0.132 8.198 241 1HB HIS 34 1HB HIS 34 2.827 -0.515 10.850 242 2HB HIS 34 2HB HIS 34 3.975 0.783 10.590 243 HD1 HIS 34 HD1 HIS 34 3.170 2.823 9.082 244 HD2 HIS 34 HD2 HIS 34 0.205 0.013 10.034 245 HE1 HIS 34 HE1 HIS 34 0.935 3.932 8.546 246 H HIS 35 H HIS 35 5.638 -1.629 7.424 247 HA HIS 35 HA HIS 35 6.629 -3.525 9.223 248 1HB HIS 35 1HB HIS 35 8.316 -3.944 7.573 249 2HB HIS 35 2HB HIS 35 6.787 -3.671 6.761 250 HD1 HIS 35 HD1 HIS 35 10.092 -1.917 7.473 251 HD2 HIS 35 HD2 HIS 35 6.769 -1.583 4.934 252 HE1 HIS 35 HE1 HIS 35 10.686 -0.132 5.749 253 HA PRO 36 HA PRO 36 9.358 -1.144 11.588 254 1HB PRO 36 1HB PRO 36 11.084 -3.061 12.491 255 2HB PRO 36 2HB PRO 36 9.505 -2.783 13.199 256 1HG PRO 36 1HG PRO 36 10.380 -4.979 11.424 257 2HG PRO 36 2HG PRO 36 8.973 -4.904 12.466 258 1HD PRO 36 1HD PRO 36 9.016 -4.580 9.616 259 2HD PRO 36 2HD PRO 36 7.630 -4.391 10.672 260 H VAL 37 H VAL 37 10.488 0.410 10.592 261 HA VAL 37 HA VAL 37 12.489 -0.462 8.702 262 HB VAL 37 HB VAL 37 11.529 2.256 9.614 263 1HG1 VAL 37 1HG1 VAL 37 13.983 1.969 8.703 264 2HG1 VAL 37 2HG1 VAL 37 13.163 1.839 7.129 265 3HG1 VAL 37 3HG1 VAL 37 12.953 3.299 8.124 266 1HG2 VAL 37 2HG2 VAL 37 10.360 0.359 7.893 267 2HG2 VAL 37 3HG2 VAL 37 9.904 2.068 8.095 268 3HG2 VAL 37 1HG2 VAL 37 11.067 1.601 6.831 269 H ASN 38 H ASN 38 13.996 -1.578 10.055 270 HA ASN 38 HA ASN 38 15.847 -1.707 11.184 271 1HB ASN 38 1HB ASN 38 15.787 1.145 10.458 272 2HB ASN 38 2HB ASN 38 16.588 0.916 12.000 273 1HD2 ASN 38 2HD2 ASN 38 19.333 -0.961 10.777 274 2HD2 ASN 38 1HD2 ASN 38 18.309 -0.660 12.141 275 H GLY 39 H GLY 39 14.792 1.422 12.681 276 1HA GLY 39 1HA GLY 39 14.040 -0.051 15.131 277 2HA GLY 39 2HA GLY 39 15.097 1.346 15.179 278 H LYS 40 H LYS 40 12.950 1.796 12.596 279 HA LYS 40 HA LYS 40 11.327 3.564 14.256 280 1HB LYS 40 1HB LYS 40 11.269 3.566 11.257 281 2HB LYS 40 2HB LYS 40 11.019 4.888 12.380 282 1HG LYS 40 1HG LYS 40 13.486 4.657 13.048 283 2HG LYS 40 2HG LYS 40 13.670 3.525 11.723 284 1HD LYS 40 1HD LYS 40 12.388 5.640 10.464 285 2HD LYS 40 2HD LYS 40 13.360 6.483 11.654 286 1HE LYS 40 1HE LYS 40 14.521 6.089 9.421 287 2HE LYS 40 2HE LYS 40 15.412 5.516 10.817 288 1HZ LYS 40 1HZ LYS 40 15.003 3.958 8.755 289 2HZ LYS 40 2HZ LYS 40 15.009 3.328 10.257 290 H GLU 41 H GLU 41 9.108 3.357 14.463 291 HA GLU 41 HA GLU 41 7.506 1.912 12.784 292 1HB GLU 41 1HB GLU 41 9.075 0.079 14.035 293 2HB GLU 41 2HB GLU 41 7.798 0.202 15.228 294 1HG GLU 41 1HG GLU 41 6.629 0.072 12.561 295 2HG GLU 41 2HG GLU 41 7.752 -1.256 12.773 296 H ASP 42 H ASP 42 6.447 3.971 13.361 297 HA ASP 42 HA ASP 42 4.889 3.608 15.775 298 1HB ASP 42 1HB ASP 42 5.169 5.927 16.445 299 2HB ASP 42 2HB ASP 42 6.761 5.219 16.260 300 H TYR 43 H TYR 43 4.012 2.955 13.210 301 HA TYR 43 HA TYR 43 2.596 3.435 11.556 302 1HB TYR 43 1HB TYR 43 1.324 5.328 13.606 303 2HB TYR 43 2HB TYR 43 0.489 4.301 12.457 304 HD1 TYR 43 HD1 TYR 43 2.363 1.828 13.137 305 HD2 TYR 43 HD2 TYR 43 -0.013 4.508 15.477 306 HE1 TYR 43 HE1 TYR 43 2.101 0.043 14.928 307 HE2 TYR 43 HE2 TYR 43 -0.268 2.714 17.260 308 HH TYR 43 HH TYR 43 -0.132 -0.072 17.042 309 H ARG 44 H ARG 44 3.978 4.620 10.130 310 HA ARG 44 HA ARG 44 3.444 7.479 10.247 311 1HB ARG 44 1HB ARG 44 5.981 6.109 10.296 312 2HB ARG 44 2HB ARG 44 5.867 6.925 8.750 313 1HG ARG 44 1HG ARG 44 5.489 9.077 9.808 314 2HG ARG 44 2HG ARG 44 5.237 8.337 11.377 315 1HD ARG 44 1HD ARG 44 7.459 8.487 11.816 316 2HD ARG 44 2HD ARG 44 7.810 7.455 10.444 317 HE ARG 44 HE ARG 44 8.265 9.365 9.114 318 1HH1 ARG 44 2HH2 ARG 44 6.965 10.333 12.265 319 2HH1 ARG 44 1HH2 ARG 44 7.387 12.001 12.066 320 HH2 ARG 44 HH1 ARG 44 8.478 12.703 10.050 321 H LYS 45 H LYS 45 4.064 8.458 7.876 322 HA LYS 45 HA LYS 45 2.360 7.017 6.064 323 1HB LYS 45 1HB LYS 45 3.805 9.672 5.829 324 2HB LYS 45 2HB LYS 45 2.708 9.026 4.625 325 1HG LYS 45 1HG LYS 45 1.087 10.130 5.798 326 2HG LYS 45 2HG LYS 45 1.168 8.768 6.897 327 1HD LYS 45 1HD LYS 45 2.457 9.934 8.481 328 2HD LYS 45 2HD LYS 45 3.134 11.026 7.289 329 1HE LYS 45 1HE LYS 45 0.203 11.280 7.456 330 2HE LYS 45 2HE LYS 45 0.966 11.563 9.008 331 1HZ LYS 45 1HZ LYS 45 1.230 13.107 6.545 332 2HZ LYS 45 2HZ LYS 45 1.205 13.631 8.087 333 H CYS 46 H CYS 46 2.968 5.748 4.366 334 HA CYS 46 HA CYS 46 5.555 4.772 4.266 335 1HB CYS 46 1HB CYS 46 3.733 4.677 1.883 336 2HB CYS 46 2HB CYS 46 4.869 3.474 2.459 337 H GLY 47 H GLY 47 3.804 7.244 2.276 338 1HA GLY 47 1HA GLY 47 6.085 7.786 0.615 339 2HA GLY 47 2HA GLY 47 4.558 8.646 0.659 340 H THR 48 H THR 48 7.105 7.979 3.172 341 HA THR 48 HA THR 48 6.987 10.810 3.895 342 HB THR 48 HB THR 48 7.831 8.215 5.219 343 HG1 THR 48 HG1 THR 48 6.361 10.653 5.941 344 1HG2 THR 48 2HG2 THR 48 8.795 11.027 5.848 345 2HG2 THR 48 3HG2 THR 48 8.452 9.893 7.176 346 3HG2 THR 48 1HG2 THR 48 9.690 9.493 5.962 347 H ALA 49 H ALA 49 8.573 12.254 3.516 348 HA ALA 49 HA ALA 49 10.490 11.735 1.601 349 1HB ALA 49 3HB ALA 49 10.113 13.862 3.717 350 2HB ALA 49 1HB ALA 49 11.533 13.886 2.644 351 3HB ALA 49 2HB ALA 49 9.895 13.981 1.955 352 H GLY 50 H GLY 50 12.056 10.197 1.745 353 1HA GLY 50 1HA GLY 50 14.297 9.907 2.660 354 2HA GLY 50 2HA GLY 50 13.613 10.115 4.260 355 H CYS 51 H CYS 51 11.127 8.540 2.930 356 HA CYS 51 HA CYS 51 12.262 5.937 3.622 357 1HB CYS 51 1HB CYS 51 9.412 6.967 3.726 358 2HB CYS 51 2HB CYS 51 9.834 5.279 3.939 359 H HIS 52 H HIS 52 9.212 6.538 1.850 360 HA HIS 52 HA HIS 52 10.427 5.204 -0.453 361 1HB HIS 52 1HB HIS 52 7.571 5.278 0.545 362 2HB HIS 52 2HB HIS 52 8.023 4.649 -1.027 363 HD1 HIS 52 HD1 HIS 52 9.951 2.621 -0.873 364 HD2 HIS 52 HD2 HIS 52 7.612 3.392 2.522 365 HE1 HIS 52 HE1 HIS 52 10.119 0.543 0.598 366 H ASP 53 H ASP 53 11.308 7.543 -0.769 367 HA ASP 53 HA ASP 53 9.285 8.973 -2.306 368 1HB ASP 53 1HB ASP 53 10.289 9.994 -0.049 369 2HB ASP 53 2HB ASP 53 11.661 10.380 -1.069 370 H SER 54 H SER 54 10.184 7.594 -4.125 371 HA SER 54 HA SER 54 12.865 8.435 -4.889 372 1HB SER 54 1HB SER 54 12.138 5.914 -4.598 373 2HB SER 54 2HB SER 54 11.370 6.127 -6.159 374 HG SER 54 HG SER 54 13.492 5.345 -6.488 375 H MET 55 H MET 55 9.429 8.280 -5.810 376 HA MET 55 HA MET 55 8.284 9.141 -7.446 377 1HB MET 55 1HB MET 55 10.479 11.053 -6.913 378 2HB MET 55 2HB MET 55 9.889 11.203 -8.557 379 1HG MET 55 1HG MET 55 8.374 12.616 -7.508 380 2HG MET 55 2HG MET 55 7.489 11.112 -7.343 381 1HE MET 55 1HE MET 55 7.306 9.749 -5.692 382 2HE MET 55 2HE MET 55 8.333 9.638 -4.243 383 3HE MET 55 3HE MET 55 6.786 10.515 -4.172 384 H ASP 56 H ASP 56 9.991 6.897 -8.121 385 HA ASP 56 HA ASP 56 10.259 7.471 -10.953 386 1HB ASP 56 1HB ASP 56 12.498 7.339 -9.501 387 2HB ASP 56 2HB ASP 56 12.218 5.612 -9.585 388 H LYS 57 H LYS 57 8.156 6.317 -11.075 389 HA LYS 57 HA LYS 57 7.541 3.926 -9.927 390 1HB LYS 57 1HB LYS 57 5.848 5.118 -11.052 391 2HB LYS 57 2HB LYS 57 6.751 5.184 -12.552 392 1HG LYS 57 1HG LYS 57 6.332 2.410 -11.652 393 2HG LYS 57 2HG LYS 57 4.814 3.264 -11.852 394 1HD LYS 57 1HD LYS 57 6.641 3.855 -14.070 395 2HD LYS 57 2HD LYS 57 6.409 2.126 -13.899 396 1HE LYS 57 1HE LYS 57 4.587 2.649 -15.260 397 2HE LYS 57 2HE LYS 57 3.836 2.777 -13.682 398 1HZ LYS 57 1HZ LYS 57 5.105 5.192 -14.745 399 2HZ LYS 57 2HZ LYS 57 3.695 4.740 -15.424 400 H LYS 58 H LYS 58 9.170 4.446 -13.131 401 HA LYS 58 HA LYS 58 9.629 1.653 -13.447 402 1HB LYS 58 1HB LYS 58 9.305 3.066 -15.381 403 2HB LYS 58 2HB LYS 58 10.652 4.091 -14.928 404 1HG LYS 58 1HG LYS 58 12.267 2.409 -15.413 405 2HG LYS 58 2HG LYS 58 11.089 1.115 -15.327 406 1HD LYS 58 1HD LYS 58 11.182 1.274 -17.624 407 2HD LYS 58 2HD LYS 58 9.980 2.522 -17.363 408 1HE LYS 58 1HE LYS 58 11.727 4.272 -17.391 409 2HE LYS 58 2HE LYS 58 12.985 3.057 -17.511 410 1HZ LYS 58 1HZ LYS 58 10.865 3.478 -19.552 411 2HZ LYS 58 2HZ LYS 58 12.406 3.985 -19.694 412 H ASP 59 H ASP 59 10.499 1.789 -11.011 413 HA ASP 59 HA ASP 59 13.278 1.361 -11.290 414 1HB ASP 59 1HB ASP 59 12.913 3.932 -10.875 415 2HB ASP 59 2HB ASP 59 12.484 3.462 -9.242 416 H LYS 60 H LYS 60 12.619 -0.752 -10.486 417 HA LYS 60 HA LYS 60 11.249 -0.841 -7.934 418 1HB LYS 60 1HB LYS 60 11.015 -3.192 -8.350 419 2HB LYS 60 2HB LYS 60 10.585 -2.325 -9.811 420 1HG LYS 60 1HG LYS 60 13.464 -3.129 -9.545 421 2HG LYS 60 2HG LYS 60 12.315 -4.431 -9.782 422 1HD LYS 60 1HD LYS 60 11.919 -3.850 -11.958 423 2HD LYS 60 2HD LYS 60 11.805 -2.143 -11.580 424 1HE LYS 60 1HE LYS 60 14.104 -1.774 -11.866 425 2HE LYS 60 2HE LYS 60 14.534 -3.420 -11.447 426 1HZ LYS 60 1HZ LYS 60 13.573 -4.136 -13.591 427 2HZ LYS 60 2HZ LYS 60 13.223 -2.594 -13.983 428 H SER 61 H SER 61 12.148 -1.584 -5.996 429 HA SER 61 HA SER 61 14.530 -2.859 -5.736 430 1HB SER 61 1HB SER 61 16.007 -0.943 -4.914 431 2HB SER 61 2HB SER 61 15.766 -1.026 -6.648 432 HG SER 61 HG SER 61 15.358 1.089 -5.153 433 H ALA 62 H ALA 62 13.000 0.123 -4.298 434 HA ALA 62 HA ALA 62 11.726 -1.168 -2.226 435 1HB ALA 62 2HB ALA 62 14.588 -0.374 -1.630 436 2HB ALA 62 3HB ALA 62 13.353 -0.434 -0.350 437 3HB ALA 62 1HB ALA 62 13.757 -1.906 -1.267 438 H LYS 63 H LYS 63 13.800 1.703 -2.996 439 HA LYS 63 HA LYS 63 12.238 3.502 -1.510 440 1HB LYS 63 1HB LYS 63 14.352 3.734 -3.631 441 2HB LYS 63 2HB LYS 63 13.444 5.158 -3.162 442 1HG LYS 63 1HG LYS 63 14.279 3.653 -0.793 443 2HG LYS 63 2HG LYS 63 15.663 4.016 -1.805 444 1HD LYS 63 1HD LYS 63 15.244 6.386 -1.722 445 2HD LYS 63 2HD LYS 63 13.620 6.160 -1.103 446 1HE LYS 63 1HE LYS 63 14.426 5.451 1.059 447 2HE LYS 63 2HE LYS 63 16.057 5.219 0.463 448 1HZ LYS 63 1HZ LYS 63 16.252 7.610 0.150 449 2HZ LYS 63 2HZ LYS 63 14.705 7.862 0.590 450 H GLY 64 H GLY 64 11.721 1.852 -4.521 451 1HA GLY 64 1HA GLY 64 10.159 3.752 -5.886 452 2HA GLY 64 2HA GLY 64 10.127 2.013 -6.099 453 H TYR 65 H TYR 65 8.661 4.793 -4.462 454 HA TYR 65 HA TYR 65 7.043 3.572 -2.619 455 1HB TYR 65 1HB TYR 65 7.288 6.027 -2.967 456 2HB TYR 65 2HB TYR 65 6.666 5.897 -4.600 457 HD1 TYR 65 HD1 TYR 65 5.608 5.185 -1.069 458 HD2 TYR 65 HD2 TYR 65 4.439 6.447 -4.986 459 HE1 TYR 65 HE1 TYR 65 3.261 5.671 -0.220 460 HE2 TYR 65 HE2 TYR 65 2.097 6.929 -4.124 461 HH TYR 65 HH TYR 65 0.707 5.873 -2.005 462 H TYR 66 H TYR 66 6.633 3.842 -6.180 463 HA TYR 66 HA TYR 66 3.986 2.721 -6.070 464 1HB TYR 66 1HB TYR 66 4.445 4.257 -7.871 465 2HB TYR 66 2HB TYR 66 6.073 3.647 -8.090 466 HD1 TYR 66 HD1 TYR 66 6.385 1.360 -9.185 467 HD2 TYR 66 HD2 TYR 66 2.648 3.442 -9.186 468 HE1 TYR 66 HE1 TYR 66 5.581 -0.069 -11.127 469 HE2 TYR 66 HE2 TYR 66 1.856 2.006 -11.128 470 HH TYR 66 HH TYR 66 3.585 -0.790 -12.123 471 H HIS 67 H HIS 67 7.014 1.406 -5.561 472 HA HIS 67 HA HIS 67 6.404 -1.032 -7.038 473 1HB HIS 67 1HB HIS 67 8.578 -0.720 -7.523 474 2HB HIS 67 2HB HIS 67 8.855 0.322 -6.141 475 HD1 HIS 67 HD1 HIS 67 9.345 -3.136 -7.347 476 HD2 HIS 67 HD2 HIS 67 9.393 -1.133 -3.661 477 HE1 HIS 67 HE1 HIS 67 10.512 -4.697 -5.700 478 H VAL 68 H VAL 68 6.183 0.438 -3.913 479 HA VAL 68 HA VAL 68 6.103 -2.180 -2.609 480 HB VAL 68 HB VAL 68 5.913 -0.609 -0.553 481 1HG1 VAL 68 2HG1 VAL 68 7.905 -2.028 -1.429 482 2HG1 VAL 68 3HG1 VAL 68 8.571 -0.470 -1.972 483 3HG1 VAL 68 1HG1 VAL 68 8.225 -0.737 -0.247 484 1HG2 VAL 68 1HG2 VAL 68 5.492 1.430 -1.981 485 2HG2 VAL 68 2HG2 VAL 68 6.795 1.603 -0.781 486 3HG2 VAL 68 3HG2 VAL 68 7.193 1.337 -2.496 487 H MET 69 H MET 69 4.075 -0.495 -4.461 488 HA MET 69 HA MET 69 1.830 -0.945 -2.648 489 1HB MET 69 1HB MET 69 2.052 1.018 -4.999 490 2HB MET 69 2HB MET 69 0.654 0.851 -3.954 491 1HG MET 69 1HG MET 69 3.385 1.496 -2.782 492 2HG MET 69 2HG MET 69 2.382 2.767 -3.451 493 1HE MET 69 3HE MET 69 3.625 1.599 -0.674 494 2HE MET 69 1HE MET 69 2.871 3.126 -0.157 495 3HE MET 69 2HE MET 69 2.428 1.599 0.643 496 H HIS 70 H HIS 70 3.471 -2.012 -5.426 497 HA HIS 70 HA HIS 70 1.077 -3.452 -6.264 498 1HB HIS 70 1HB HIS 70 3.034 -2.306 -8.261 499 2HB HIS 70 2HB HIS 70 1.493 -3.076 -8.580 500 HD1 HIS 70 HD1 HIS 70 2.889 0.113 -7.006 501 HD2 HIS 70 HD2 HIS 70 -0.664 -1.358 -8.681 502 HE1 HIS 70 HE1 HIS 70 1.306 2.106 -7.188 503 H ASP 71 H ASP 71 4.630 -3.142 -7.003 504 HA ASP 71 HA ASP 71 5.200 -5.563 -7.811 505 1HB ASP 71 1HB ASP 71 6.682 -3.480 -6.883 506 2HB ASP 71 2HB ASP 71 6.942 -4.597 -5.558 507 H LYS 72 H LYS 72 5.196 -7.694 -6.990 508 HA LYS 72 HA LYS 72 4.284 -7.978 -4.228 509 1HB LYS 72 1HB LYS 72 4.332 -10.096 -6.389 510 2HB LYS 72 2HB LYS 72 3.464 -10.132 -4.867 511 1HG LYS 72 1HG LYS 72 1.686 -9.218 -5.937 512 2HG LYS 72 2HG LYS 72 2.606 -7.734 -6.088 513 1HD LYS 72 1HD LYS 72 3.659 -9.273 -8.155 514 2HD LYS 72 2HD LYS 72 1.983 -9.785 -8.142 515 1HE LYS 72 1HE LYS 72 1.333 -7.296 -8.139 516 2HE LYS 72 2HE LYS 72 3.024 -6.929 -8.418 517 1HZ LYS 72 1HZ LYS 72 1.665 -7.137 -10.489 518 2HZ LYS 72 2HZ LYS 72 2.948 -8.139 -10.481 519 H ASN 73 H ASN 73 6.930 -8.736 -6.496 520 HA ASN 73 HA ASN 73 8.193 -10.560 -4.791 521 1HB ASN 73 1HB ASN 73 9.363 -8.790 -7.003 522 2HB ASN 73 2HB ASN 73 10.179 -10.169 -6.294 523 1HD2 ASN 73 2HD2 ASN 73 7.328 -10.571 -9.185 524 2HD2 ASN 73 1HD2 ASN 73 7.818 -9.052 -8.512 525 H THR 74 H THR 74 7.763 -8.947 -2.829 526 HA THR 74 HA THR 74 10.159 -7.261 -2.542 527 HB THR 74 HB THR 74 8.666 -5.679 -1.256 528 HG1 THR 74 HG1 THR 74 6.619 -7.394 -2.466 529 1HG2 THR 74 1HG2 THR 74 8.614 -6.117 -4.118 530 2HG2 THR 74 2HG2 THR 74 6.966 -5.706 -3.585 531 3HG2 THR 74 3HG2 THR 74 8.317 -4.600 -3.237 532 H LYS 75 H LYS 75 10.925 -6.993 -0.332 533 HA LYS 75 HA LYS 75 10.958 -9.462 1.003 534 1HB LYS 75 1HB LYS 75 12.869 -8.027 1.094 535 2HB LYS 75 2HB LYS 75 11.934 -6.695 1.742 536 1HG LYS 75 1HG LYS 75 11.744 -7.676 3.877 537 2HG LYS 75 2HG LYS 75 11.966 -9.304 3.268 538 1HD LYS 75 1HD LYS 75 14.015 -8.770 4.385 539 2HD LYS 75 2HD LYS 75 14.378 -8.639 2.676 540 1HE LYS 75 1HE LYS 75 13.599 -6.076 3.109 541 2HE LYS 75 2HE LYS 75 14.120 -6.462 4.737 542 1HZ LYS 75 1HZ LYS 75 15.738 -6.401 2.283 543 2HZ LYS 75 2HZ LYS 75 16.083 -5.771 3.744 544 H PHE 76 H PHE 76 8.819 -6.679 1.118 545 HA PHE 76 HA PHE 76 7.511 -7.880 3.467 546 1HB PHE 76 1HB PHE 76 7.720 -4.993 2.406 547 2HB PHE 76 2HB PHE 76 6.732 -5.440 3.782 548 HD1 PHE 76 HD2 PHE 76 8.090 -6.796 5.682 549 HD2 PHE 76 HD1 PHE 76 9.824 -4.116 2.834 550 HE1 PHE 76 HE2 PHE 76 10.083 -6.440 7.220 551 HE2 PHE 76 HE1 PHE 76 11.811 -3.769 4.382 552 HZ PHE 76 HZ PHE 76 11.858 -5.021 6.594 553 H LYS 77 H LYS 77 5.149 -7.724 3.520 554 HA LYS 77 HA LYS 77 4.009 -8.401 1.054 555 1HB LYS 77 1HB LYS 77 3.041 -7.942 3.841 556 2HB LYS 77 2HB LYS 77 1.847 -7.919 2.559 557 1HG LYS 77 1HG LYS 77 2.056 -10.168 2.136 558 2HG LYS 77 2HG LYS 77 3.797 -10.152 2.336 559 1HD LYS 77 1HD LYS 77 2.389 -9.627 4.875 560 2HD LYS 77 2HD LYS 77 1.923 -11.163 4.172 561 1HE LYS 77 1HE LYS 77 3.896 -12.099 4.787 562 2HE LYS 77 2HE LYS 77 4.794 -10.877 3.909 563 1HZ LYS 77 1HZ LYS 77 3.679 -10.361 6.608 564 2HZ LYS 77 2HZ LYS 77 5.185 -10.938 6.386 565 H SER 78 H SER 78 3.180 -7.192 -0.576 566 HA SER 78 HA SER 78 3.115 -4.334 -0.094 567 1HB SER 78 1HB SER 78 3.911 -4.128 -2.202 568 2HB SER 78 2HB SER 78 4.140 -5.865 -2.194 569 HG SER 78 HG SER 78 2.884 -5.400 -4.005 570 H CYS 79 H CYS 79 1.279 -3.096 -1.255 571 HA CYS 79 HA CYS 79 -1.134 -3.799 -0.255 572 1HB CYS 79 1HB CYS 79 -0.686 -2.250 -2.814 573 2HB CYS 79 2HB CYS 79 -2.124 -2.210 -1.812 574 H VAL 80 H VAL 80 -0.224 -4.068 -3.777 575 HA VAL 80 HA VAL 80 -2.376 -5.757 -4.388 576 HB VAL 80 HB VAL 80 0.257 -5.253 -5.788 577 1HG1 VAL 80 2HG1 VAL 80 -1.377 -7.348 -6.335 578 2HG1 VAL 80 3HG1 VAL 80 -2.123 -6.089 -7.349 579 3HG1 VAL 80 1HG1 VAL 80 -0.404 -6.500 -7.561 580 1HG2 VAL 80 1HG2 VAL 80 -1.397 -3.316 -5.306 581 2HG2 VAL 80 2HG2 VAL 80 -0.785 -3.523 -6.965 582 3HG2 VAL 80 3HG2 VAL 80 -2.421 -4.085 -6.542 583 H GLY 81 H GLY 81 1.019 -6.340 -3.375 584 1HA GLY 81 1HA GLY 81 1.314 -9.003 -3.928 585 2HA GLY 81 2HA GLY 81 1.990 -8.188 -2.532 586 H CYS 82 H CYS 82 0.031 -7.617 -0.810 587 HA CYS 82 HA CYS 82 -0.691 -10.110 0.208 588 1HB CYS 82 1HB CYS 82 -0.326 -8.107 1.604 589 2HB CYS 82 2HB CYS 82 -1.764 -7.363 0.933 590 H HIS 83 H HIS 83 -2.498 -7.516 -1.563 591 HA HIS 83 HA HIS 83 -5.010 -8.583 -1.416 592 1HB HIS 83 1HB HIS 83 -3.593 -6.882 -3.451 593 2HB HIS 83 2HB HIS 83 -5.229 -7.427 -3.758 594 HD1 HIS 83 HD1 HIS 83 -6.089 -4.951 -3.610 595 HD2 HIS 83 HD2 HIS 83 -4.375 -6.422 -0.075 596 HE1 HIS 83 HE1 HIS 83 -6.727 -3.306 -1.767 597 H VAL 84 H VAL 84 -2.334 -9.342 -3.716 598 HA VAL 84 HA VAL 84 -3.748 -10.997 -5.411 599 HB VAL 84 HB VAL 84 -0.868 -11.113 -4.497 600 1HG1 VAL 84 1HG1 VAL 84 -2.385 -12.822 -6.312 601 2HG1 VAL 84 2HG1 VAL 84 -1.005 -12.040 -7.120 602 3HG1 VAL 84 3HG1 VAL 84 -0.741 -13.022 -5.659 603 1HG2 VAL 84 1HG2 VAL 84 -2.255 -9.145 -5.961 604 2HG2 VAL 84 2HG2 VAL 84 -0.494 -9.315 -5.764 605 3HG2 VAL 84 3HG2 VAL 84 -1.310 -10.065 -7.157 606 H GLU 85 H GLU 85 -2.339 -11.597 -2.171 607 HA GLU 85 HA GLU 85 -2.804 -14.384 -2.332 608 1HB GLU 85 1HB GLU 85 -1.695 -12.456 -0.379 609 2HB GLU 85 2HB GLU 85 -2.556 -13.784 0.374 610 1HG GLU 85 1HG GLU 85 -0.926 -14.838 -1.783 611 2HG GLU 85 2HG GLU 85 0.074 -13.814 -0.773 612 H VAL 86 H VAL 86 -4.584 -11.514 -1.190 613 HA VAL 86 HA VAL 86 -6.537 -13.004 0.247 614 HB VAL 86 HB VAL 86 -6.493 -10.172 -0.816 615 1HG1 VAL 86 3HG1 VAL 86 -8.795 -10.995 -0.414 616 2HG1 VAL 86 1HG1 VAL 86 -8.339 -11.406 1.257 617 3HG1 VAL 86 2HG1 VAL 86 -8.324 -9.709 0.723 618 1HG2 VAL 86 1HG2 VAL 86 -4.698 -10.659 0.795 619 2HG2 VAL 86 2HG2 VAL 86 -5.906 -9.545 1.479 620 3HG2 VAL 86 3HG2 VAL 86 -5.904 -11.258 1.959 621 H ALA 87 H ALA 87 -6.437 -11.351 -2.983 622 HA ALA 87 HA ALA 87 -9.020 -12.175 -3.720 623 1HB ALA 87 1HB ALA 87 -6.595 -11.353 -5.368 624 2HB ALA 87 2HB ALA 87 -8.255 -11.496 -5.994 625 3HB ALA 87 3HB ALA 87 -7.874 -10.279 -4.753 626 H GLY 88 H GLY 88 -5.845 -13.740 -3.719 627 1HA GLY 88 1HA GLY 88 -5.134 -15.715 -4.588 628 2HA GLY 88 2HA GLY 88 -6.597 -16.301 -3.822 629 H ALA 89 H ALA 89 -7.833 -17.548 -5.147 630 HA ALA 89 HA ALA 89 -7.603 -17.113 -8.019 631 1HB ALA 89 3HB ALA 89 -7.758 -19.378 -6.330 632 2HB ALA 89 1HB ALA 89 -9.300 -19.324 -7.217 633 3HB ALA 89 2HB ALA 89 -7.761 -19.353 -8.109 634 H ASP 90 H ASP 90 -8.880 -14.984 -6.798 635 HA ASP 90 HA ASP 90 -11.657 -15.543 -7.490 636 1HB ASP 90 1HB ASP 90 -11.082 -15.007 -5.005 637 2HB ASP 90 2HB ASP 90 -10.742 -13.378 -5.554 638 H ALA 91 H ALA 91 -11.296 -14.799 -9.700 639 HA ALA 91 HA ALA 91 -9.854 -12.661 -10.530 640 1HB ALA 91 3HB ALA 91 -11.892 -14.391 -11.547 641 2HB ALA 91 1HB ALA 91 -12.318 -12.725 -12.008 642 3HB ALA 91 2HB ALA 91 -10.732 -13.396 -12.460 643 H ALA 92 H ALA 92 -13.361 -12.619 -9.564 644 HA ALA 92 HA ALA 92 -13.976 -10.045 -9.904 645 1HB ALA 92 1HB ALA 92 -15.201 -12.090 -8.740 646 2HB ALA 92 2HB ALA 92 -14.647 -11.290 -7.249 647 3HB ALA 92 3HB ALA 92 -15.695 -10.416 -8.391 648 H LYS 93 H LYS 93 -12.487 -11.288 -6.822 649 HA LYS 93 HA LYS 93 -11.959 -8.695 -5.866 650 1HB LYS 93 1HB LYS 93 -11.027 -11.460 -5.086 651 2HB LYS 93 2HB LYS 93 -10.428 -10.027 -4.274 652 1HG LYS 93 1HG LYS 93 -13.028 -9.414 -4.112 653 2HG LYS 93 2HG LYS 93 -13.239 -11.140 -4.332 654 1HD LYS 93 1HD LYS 93 -11.135 -10.720 -2.386 655 2HD LYS 93 2HD LYS 93 -12.512 -9.736 -1.931 656 1HE LYS 93 1HE LYS 93 -13.136 -11.731 -0.916 657 2HE LYS 93 2HE LYS 93 -13.885 -11.972 -2.482 658 1HZ LYS 93 1HZ LYS 93 -11.533 -12.989 -3.034 659 2HZ LYS 93 2HZ LYS 93 -11.450 -13.215 -1.423 660 H LYS 94 H LYS 94 -10.187 -10.994 -7.933 661 HA LYS 94 HA LYS 94 -7.680 -9.751 -7.707 662 1HB LYS 94 1HB LYS 94 -8.490 -12.081 -8.704 663 2HB LYS 94 2HB LYS 94 -8.501 -11.179 -10.206 664 1HG LYS 94 1HG LYS 94 -6.197 -10.882 -10.219 665 2HG LYS 94 2HG LYS 94 -6.084 -10.807 -8.471 666 1HD LYS 94 1HD LYS 94 -5.423 -12.974 -8.447 667 2HD LYS 94 2HD LYS 94 -6.998 -13.440 -9.056 668 1HE LYS 94 1HE LYS 94 -6.190 -13.850 -11.153 669 2HE LYS 94 2HE LYS 94 -5.283 -12.352 -11.192 670 1HZ LYS 94 1HZ LYS 94 -4.327 -14.962 -10.606 671 2HZ LYS 94 2HZ LYS 94 -3.463 -13.608 -10.875 672 H LYS 95 H LYS 95 -10.626 -8.607 -8.956 673 HA LYS 95 HA LYS 95 -9.172 -6.718 -10.675 674 1HB LYS 95 1HB LYS 95 -11.104 -8.488 -11.495 675 2HB LYS 95 2HB LYS 95 -12.060 -7.058 -11.164 676 1HG LYS 95 1HG LYS 95 -10.879 -5.735 -12.743 677 2HG LYS 95 2HG LYS 95 -9.483 -6.794 -12.737 678 1HD LYS 95 1HD LYS 95 -11.919 -8.219 -13.576 679 2HD LYS 95 2HD LYS 95 -11.604 -6.827 -14.594 680 1HE LYS 95 1HE LYS 95 -9.233 -8.547 -13.937 681 2HE LYS 95 2HE LYS 95 -10.436 -9.261 -14.992 682 1HZ LYS 95 1HZ LYS 95 -9.361 -8.099 -16.590 683 2HZ LYS 95 2HZ LYS 95 -10.142 -6.779 -16.040 684 H ASP 96 H ASP 96 -10.661 -7.177 -7.705 685 HA ASP 96 HA ASP 96 -11.500 -4.383 -7.674 686 1HB ASP 96 1HB ASP 96 -12.822 -6.815 -6.780 687 2HB ASP 96 2HB ASP 96 -12.535 -5.781 -5.394 688 H LEU 97 H LEU 97 -9.054 -6.496 -6.867 689 HA LEU 97 HA LEU 97 -8.394 -4.979 -4.441 690 1HB LEU 97 1HB LEU 97 -8.079 -7.933 -4.961 691 2HB LEU 97 2HB LEU 97 -7.211 -7.087 -3.695 692 HG LEU 97 HG LEU 97 -10.182 -7.565 -3.927 693 1HD1 LEU 97 3HD1 LEU 97 -8.578 -9.271 -2.909 694 2HD1 LEU 97 1HD1 LEU 97 -8.370 -8.109 -1.577 695 3HD1 LEU 97 2HD1 LEU 97 -9.980 -8.781 -1.929 696 1HD2 LEU 97 2HD2 LEU 97 -8.753 -5.400 -2.464 697 2HD2 LEU 97 3HD2 LEU 97 -10.384 -5.429 -3.177 698 3HD2 LEU 97 1HD2 LEU 97 -10.079 -6.235 -1.619 699 H THR 98 H THR 98 -7.160 -6.981 -7.198 700 HA THR 98 HA THR 98 -4.711 -5.347 -7.101 701 HB THR 98 HB THR 98 -3.577 -7.290 -7.996 702 HG1 THR 98 HG1 THR 98 -6.279 -8.414 -8.183 703 1HG2 THR 98 2HG2 THR 98 -5.750 -8.344 -6.110 704 2HG2 THR 98 3HG2 THR 98 -4.213 -9.159 -6.485 705 3HG2 THR 98 1HG2 THR 98 -4.210 -7.625 -5.583 706 H GLY 99 H GLY 99 -7.600 -5.129 -8.464 707 1HA GLY 99 1HA GLY 99 -7.243 -5.229 -11.223 708 2HA GLY 99 2HA GLY 99 -8.381 -4.214 -10.360 709 H CYS 100 H CYS 100 -6.696 -3.638 -12.792 710 HA CYS 100 HA CYS 100 -4.779 -1.722 -11.811 711 1HB CYS 100 1HB CYS 100 -5.464 -2.913 -14.452 712 2HB CYS 100 2HB CYS 100 -4.754 -1.311 -14.454 713 H LYS 101 H LYS 101 -7.694 -1.744 -14.002 714 HA LYS 101 HA LYS 101 -8.210 1.003 -13.094 715 1HB LYS 101 1HB LYS 101 -7.411 0.739 -15.493 716 2HB LYS 101 2HB LYS 101 -8.907 -0.111 -15.821 717 1HG LYS 101 1HG LYS 101 -10.111 1.952 -14.780 718 2HG LYS 101 2HG LYS 101 -8.568 2.773 -14.908 719 1HD LYS 101 1HD LYS 101 -8.911 1.563 -17.436 720 2HD LYS 101 2HD LYS 101 -10.515 2.132 -17.017 721 1HE LYS 101 1HE LYS 101 -8.920 4.289 -16.260 722 2HE LYS 101 2HE LYS 101 -8.076 3.690 -17.674 723 1HZ LYS 101 1HZ LYS 101 -10.141 3.851 -18.932 724 2HZ LYS 101 2HZ LYS 101 -10.979 4.322 -17.618 725 H LYS 102 H LYS 102 -10.349 1.535 -12.546 726 HA LYS 102 HA LYS 102 -12.416 1.189 -11.852 727 1HB LYS 102 1HB LYS 102 -12.378 -1.085 -13.856 728 2HB LYS 102 2HB LYS 102 -13.810 -0.550 -13.000 729 1HG LYS 102 1HG LYS 102 -13.769 1.612 -14.043 730 2HG LYS 102 2HG LYS 102 -12.112 1.419 -14.578 731 1HD LYS 102 1HD LYS 102 -14.217 -0.528 -15.555 732 2HD LYS 102 2HD LYS 102 -14.121 1.063 -16.283 733 1HE LYS 102 1HE LYS 102 -12.334 0.430 -17.529 734 2HE LYS 102 2HE LYS 102 -11.435 0.009 -16.086 735 1HZ LYS 102 1HZ LYS 102 -12.872 -1.734 -17.883 736 2HZ LYS 102 2HZ LYS 102 -11.629 -2.085 -16.892 737 H SER 103 H SER 103 -10.472 0.446 -10.118 738 HA SER 103 HA SER 103 -11.536 -2.059 -9.066 739 1HB SER 103 1HB SER 103 -9.050 -1.832 -7.880 740 2HB SER 103 2HB SER 103 -9.410 -2.832 -9.273 741 HG SER 103 HG SER 103 -8.557 -0.068 -9.436 742 H LYS 104 H LYS 104 -10.462 -2.021 -6.504 743 HA LYS 104 HA LYS 104 -12.033 0.030 -5.296 744 1HB LYS 104 1HB LYS 104 -10.313 -2.217 -4.231 745 2HB LYS 104 2HB LYS 104 -11.089 -1.054 -3.174 746 1HG LYS 104 1HG LYS 104 -12.779 -2.377 -5.295 747 2HG LYS 104 2HG LYS 104 -12.314 -3.335 -3.903 748 1HD LYS 104 1HD LYS 104 -13.123 -0.985 -2.684 749 2HD LYS 104 2HD LYS 104 -14.190 -1.028 -4.073 750 1HE LYS 104 1HE LYS 104 -13.805 -3.435 -2.240 751 2HE LYS 104 2HE LYS 104 -15.030 -2.218 -1.943 752 1HZ LYS 104 1HZ LYS 104 -15.352 -4.364 -3.573 753 2HZ LYS 104 2HZ LYS 104 -16.293 -3.035 -3.613 754 H CYS 105 H CYS 105 -8.634 -0.465 -6.147 755 HA CYS 105 HA CYS 105 -7.770 1.669 -4.424 756 1HB CYS 105 1HB CYS 105 -6.260 0.064 -6.514 757 2HB CYS 105 2HB CYS 105 -5.541 1.242 -5.435 758 H HIS 106 H HIS 106 -7.649 0.985 -8.007 759 HA HIS 106 HA HIS 106 -7.700 3.870 -8.432 760 1HB HIS 106 1HB HIS 106 -6.951 1.592 -10.287 761 2HB HIS 106 2HB HIS 106 -6.962 3.286 -10.738 762 HD1 HIS 106 HD1 HIS 106 -5.461 4.740 -8.646 763 HD2 HIS 106 HD2 HIS 106 -4.382 0.853 -9.797 764 HE1 HIS 106 HE1 HIS 106 -3.015 4.449 -7.978 765 H GLU 107 H GLU 107 -9.325 4.878 -9.646 766 HA GLU 107 HA GLU 107 -11.454 3.099 -10.531 767 1HB GLU 107 1HB GLU 107 -11.651 5.547 -8.759 768 2HB GLU 107 2HB GLU 107 -13.003 5.101 -9.781 769 1HG GLU 107 1HG GLU 107 -12.443 2.657 -8.685 770 2HG GLU 107 2HG GLU 107 -11.884 3.691 -7.385 771 HHA HEC 108 HHA HEC 108 -0.836 6.490 7.494 772 HHB HEC 108 HHB HEC 108 -1.795 3.898 13.279 773 HHC HEC 108 HHC HEC 108 -2.967 -1.777 10.537 774 HHD HEC 108 HHD HEC 108 -1.315 0.700 4.789 775 1HMA HEC 108 1HMA HEC 108 -2.104 6.723 13.116 776 2HMA HEC 108 2HMA HEC 108 -0.607 5.836 13.490 777 3HMA HEC 108 3HMA HEC 108 -0.525 7.421 12.685 778 1HAA HEC 108 1HAA HEC 108 -0.886 8.021 8.892 779 2HAA HEC 108 2HAA HEC 108 -0.991 8.448 10.616 780 1HBA HEC 108 1HBA HEC 108 1.487 7.093 10.160 781 2HBA HEC 108 2HBA HEC 108 1.295 8.381 8.946 782 1HMB HEC 108 1HMB HEC 108 -3.312 0.908 15.065 783 2HMB HEC 108 2HMB HEC 108 -1.748 1.756 15.003 784 3HMB HEC 108 3HMB HEC 108 -3.250 2.631 14.621 785 HAB HEC 108 HAB HEC 108 -3.508 -1.915 12.425 786 1HBB HEC 108 1HBB HEC 108 -4.366 -1.360 15.039 787 2HBB HEC 108 2HBB HEC 108 -4.826 0.056 14.063 788 3HBB HEC 108 3HBB HEC 108 -5.365 -1.570 13.581 789 1HMC HEC 108 1HMC HEC 108 -3.756 -3.386 7.667 790 2HMC HEC 108 2HMC HEC 108 -2.033 -3.831 7.684 791 3HMC HEC 108 3HMC HEC 108 -2.829 -3.294 9.183 792 HAC HEC 108 HAC HEC 108 -2.156 -1.193 4.467 793 1HBC HEC 108 1HBC HEC 108 -3.168 -3.206 4.026 794 2HBC HEC 108 2HBC HEC 108 -2.609 -3.950 5.544 795 3HBC HEC 108 3HBC HEC 108 -3.935 -2.763 5.570 796 1HMD HEC 108 1HMD HEC 108 -0.032 1.962 3.519 797 2HMD HEC 108 2HMD HEC 108 -1.380 2.995 2.987 798 3HMD HEC 108 3HMD HEC 108 0.261 3.670 3.115 799 1HAD HEC 108 1HAD HEC 108 -0.461 6.693 5.521 800 2HAD HEC 108 2HAD HEC 108 0.941 5.853 4.816 801 1HBD HEC 108 1HBD HEC 108 -1.288 5.196 3.206 802 2HBD HEC 108 2HBD HEC 108 -1.364 6.948 3.516 803 HHA HEC 109 HHA HEC 109 11.623 -2.440 1.663 804 HHB HEC 109 HHB HEC 109 5.268 -1.616 1.440 805 HHC HEC 109 HHC HEC 109 5.745 3.237 5.601 806 HHD HEC 109 HHD HEC 109 12.200 3.050 4.926 807 1HMA HEC 109 1HMA HEC 109 7.092 -4.004 -0.692 808 2HMA HEC 109 2HMA HEC 109 6.422 -4.497 0.882 809 3HMA HEC 109 3HMA HEC 109 5.782 -3.058 0.053 810 1HAA HEC 109 1HAA HEC 109 10.838 -4.051 0.753 811 2HAA HEC 109 2HAA HEC 109 9.354 -4.957 0.370 812 1HBA HEC 109 1HBA HEC 109 9.124 -3.626 -1.706 813 2HBA HEC 109 2HBA HEC 109 10.669 -2.827 -1.331 814 1HMB HEC 109 1HMB HEC 109 2.368 0.300 2.723 815 2HMB HEC 109 2HMB HEC 109 3.357 -0.816 1.750 816 3HMB HEC 109 3HMB HEC 109 2.928 -1.236 3.426 817 HAB HEC 109 HAB HEC 109 3.837 2.673 5.565 818 1HBB HEC 109 1HBB HEC 109 2.399 0.161 4.952 819 2HBB HEC 109 2HBB HEC 109 2.589 1.041 6.487 820 3HBB HEC 109 3HBB HEC 109 1.386 1.584 5.294 821 1HMC HEC 109 1HMC HEC 109 7.797 6.011 6.307 822 2HMC HEC 109 2HMC HEC 109 6.573 4.768 6.659 823 3HMC HEC 109 3HMC HEC 109 7.933 5.020 7.779 824 HAC HEC 109 HAC HEC 109 11.801 4.583 6.073 825 1HBC HEC 109 1HBC HEC 109 10.547 4.058 8.323 826 2HBC HEC 109 2HBC HEC 109 11.788 5.331 8.235 827 3HBC HEC 109 3HBC HEC 109 10.063 5.767 8.197 828 1HMD HEC 109 1HMD HEC 109 15.013 1.398 3.243 829 2HMD HEC 109 2HMD HEC 109 14.051 2.562 4.185 830 3HMD HEC 109 3HMD HEC 109 14.622 1.057 4.945 831 1HAD HEC 109 1HAD HEC 109 13.595 -2.193 2.146 832 2HAD HEC 109 2HAD HEC 109 14.318 -0.765 1.367 833 1HBD HEC 109 1HBD HEC 109 14.948 -0.915 4.211 834 2HBD HEC 109 2HBD HEC 109 15.481 -2.353 3.307 835 HHA HEC 110 HHA HEC 110 -10.356 -4.842 0.780 836 HHB HEC 110 HHB HEC 110 -6.529 0.025 -0.886 837 HHC HEC 110 HHC HEC 110 -1.622 -2.846 2.070 838 HHD HEC 110 HHD HEC 110 -5.312 -7.984 3.188 839 1HMA HEC 110 1HMA HEC 110 -8.794 0.696 -0.865 840 2HMA HEC 110 2HMA HEC 110 -8.817 -0.200 -2.403 841 3HMA HEC 110 3HMA HEC 110 -10.299 -0.073 -1.425 842 1HAA HEC 110 1HAA HEC 110 -11.380 -2.065 -1.483 843 2HAA HEC 110 2HAA HEC 110 -11.355 -3.660 -0.693 844 1HBA HEC 110 1HBA HEC 110 -11.378 -1.771 1.392 845 2HBA HEC 110 2HBA HEC 110 -12.552 -1.196 0.184 846 1HMB HEC 110 1HMB HEC 110 -4.595 0.850 -1.709 847 2HMB HEC 110 2HMB HEC 110 -4.345 1.710 -0.171 848 3HMB HEC 110 3HMB HEC 110 -2.944 1.180 -1.133 849 HAB HEC 110 HAB HEC 110 -0.935 -1.151 1.278 850 1HBB HEC 110 1HBB HEC 110 -0.991 1.516 0.151 851 2HBB HEC 110 2HBB HEC 110 -2.277 1.293 1.362 852 3HBB HEC 110 3HBB HEC 110 -0.580 0.975 1.797 853 1HMC HEC 110 1HMC HEC 110 -0.471 -5.582 3.875 854 2HMC HEC 110 2HMC HEC 110 -0.203 -6.105 2.194 855 3HMC HEC 110 3HMC HEC 110 -0.394 -4.375 2.568 856 HAC HEC 110 HAC HEC 110 -3.392 -8.176 4.258 857 1HBC HEC 110 1HBC HEC 110 -1.155 -8.741 4.891 858 2HBC HEC 110 2HBC HEC 110 -0.474 -7.599 3.708 859 3HBC HEC 110 3HBC HEC 110 -1.377 -6.989 5.115 860 1HMD HEC 110 1HMD HEC 110 -6.905 -9.234 3.244 861 2HMD HEC 110 2HMD HEC 110 -8.198 -8.676 4.331 862 3HMD HEC 110 3HMD HEC 110 -8.610 -9.487 2.801 863 1HAD HEC 110 1HAD HEC 110 -10.521 -8.204 2.601 864 2HAD HEC 110 2HAD HEC 110 -11.028 -6.498 2.580 865 1HBD HEC 110 1HBD HEC 110 -11.696 -6.625 0.460 866 2HBD HEC 110 2HBD HEC 110 -10.209 -7.458 -0.053 867 HHA HEC 111 HHA HEC 111 0.448 5.469 -7.500 868 HHB HEC 111 HHB HEC 111 -0.550 2.031 -12.818 869 HHC HEC 111 HHC HEC 111 -3.338 -2.581 -9.351 870 HHD HEC 111 HHD HEC 111 -3.050 1.274 -4.146 871 1HMA HEC 111 1HMA HEC 111 0.933 5.399 -12.808 872 2HMA HEC 111 2HMA HEC 111 1.972 3.955 -12.737 873 3HMA HEC 111 3HMA HEC 111 0.308 3.825 -13.356 874 1HAA HEC 111 1HAA HEC 111 0.832 6.862 -10.487 875 2HAA HEC 111 2HAA HEC 111 1.495 6.312 -8.929 876 1HBA HEC 111 1HBA HEC 111 3.525 5.965 -9.792 877 2HBA HEC 111 2HBA HEC 111 2.881 5.192 -11.260 878 1HMB HEC 111 1HMB HEC 111 -0.122 0.048 -13.776 879 2HMB HEC 111 2HMB HEC 111 -0.825 -1.580 -13.921 880 3HMB HEC 111 3HMB HEC 111 -1.807 -0.148 -14.312 881 HAB HEC 111 HAB HEC 111 -3.419 -3.108 -11.425 882 1HBB HEC 111 1HBB HEC 111 -1.069 -3.750 -10.672 883 2HBB HEC 111 2HBB HEC 111 -1.902 -4.859 -11.788 884 3HBB HEC 111 3HBB HEC 111 -0.641 -3.761 -12.399 885 1HMC HEC 111 1HMC HEC 111 -4.321 -3.655 -6.187 886 2HMC HEC 111 2HMC HEC 111 -5.765 -2.757 -6.713 887 3HMC HEC 111 3HMC HEC 111 -4.579 -3.318 -7.916 888 HAC HEC 111 HAC HEC 111 -3.977 -0.407 -3.595 889 1HBC HEC 111 1HBC HEC 111 -3.377 -2.923 -4.161 890 2HBC HEC 111 2HBC HEC 111 -4.288 -2.476 -2.699 891 3HBC HEC 111 3HBC HEC 111 -5.148 -3.096 -4.128 892 1HMD HEC 111 1HMD HEC 111 -2.621 2.869 -2.926 893 2HMD HEC 111 2HMD HEC 111 -0.874 2.924 -2.589 894 3HMD HEC 111 3HMD HEC 111 -1.793 4.437 -2.769 895 1HAD HEC 111 1HAD HEC 111 0.636 5.258 -3.932 896 2HAD HEC 111 2HAD HEC 111 0.662 5.923 -5.583 897 1HBD HEC 111 1HBD HEC 111 -1.700 6.771 -5.098 898 2HBD HEC 111 2HBD HEC 111 -1.355 6.394 -3.394 No H/Q in entry = 898 Start of MODEL 17 1 1H ALA 1 1H ALA 1 -1.118 4.294 23.681 2 2H ALA 1 2H ALA 1 -1.707 5.792 23.294 3 HA ALA 1 HA ALA 1 -0.210 4.812 21.659 4 1HB ALA 1 2HB ALA 1 -2.608 2.961 21.355 5 2HB ALA 1 3HB ALA 1 -1.254 3.064 20.204 6 3HB ALA 1 1HB ALA 1 -0.966 2.505 21.869 7 HA PRO 2 HA PRO 2 -2.259 7.674 19.149 8 1HB PRO 2 1HB PRO 2 -1.064 7.304 16.720 9 2HB PRO 2 2HB PRO 2 -0.323 8.210 18.024 10 1HG PRO 2 1HG PRO 2 0.318 5.490 17.060 11 2HG PRO 2 2HG PRO 2 1.291 6.563 18.046 12 1HD PRO 2 1HD PRO 2 -0.196 4.281 18.947 13 2HD PRO 2 2HD PRO 2 0.683 5.421 19.947 14 H LYS 3 H LYS 3 -2.578 4.376 18.547 15 HA LYS 3 HA LYS 3 -4.101 3.177 17.487 16 1HB LYS 3 1HB LYS 3 -5.624 5.592 18.374 17 2HB LYS 3 2HB LYS 3 -6.427 4.469 17.295 18 1HG LYS 3 1HG LYS 3 -4.979 3.054 19.429 19 2HG LYS 3 2HG LYS 3 -6.132 4.197 20.089 20 1HD LYS 3 1HD LYS 3 -7.717 2.606 19.725 21 2HD LYS 3 2HD LYS 3 -7.590 3.014 18.025 22 1HE LYS 3 1HE LYS 3 -5.606 1.315 17.950 23 2HE LYS 3 2HE LYS 3 -6.177 0.766 19.513 24 1HZ LYS 3 1HZ LYS 3 -8.427 0.886 17.912 25 2HZ LYS 3 2HZ LYS 3 -7.288 0.227 16.953 26 H ALA 4 H ALA 4 -5.842 3.301 15.514 27 HA ALA 4 HA ALA 4 -4.240 4.176 13.307 28 1HB ALA 4 3HB ALA 4 -6.696 2.543 13.778 29 2HB ALA 4 1HB ALA 4 -6.538 3.313 12.181 30 3HB ALA 4 2HB ALA 4 -5.274 2.203 12.763 31 HA PRO 5 HA PRO 5 -6.211 7.964 12.627 32 1HB PRO 5 1HB PRO 5 -5.845 8.313 9.941 33 2HB PRO 5 2HB PRO 5 -4.594 8.627 11.127 34 1HG PRO 5 1HG PRO 5 -4.852 6.347 9.264 35 2HG PRO 5 2HG PRO 5 -3.434 6.898 10.135 36 1HD PRO 5 1HD PRO 5 -5.071 4.633 10.779 37 2HD PRO 5 2HD PRO 5 -3.725 5.253 11.714 38 H ALA 6 H ALA 6 -7.765 9.171 10.921 39 HA ALA 6 HA ALA 6 -10.169 7.650 11.182 40 1HB ALA 6 3HB ALA 6 -9.720 10.236 11.354 41 2HB ALA 6 1HB ALA 6 -9.897 10.195 9.584 42 3HB ALA 6 2HB ALA 6 -11.235 9.652 10.625 43 H ASP 7 H ASP 7 -11.564 8.336 8.814 44 HA ASP 7 HA ASP 7 -10.211 6.527 6.993 45 1HB ASP 7 1HB ASP 7 -13.117 7.420 7.254 46 2HB ASP 7 2HB ASP 7 -12.547 6.450 5.910 47 H GLY 8 H GLY 8 -10.804 7.063 4.535 48 1HA GLY 8 1HA GLY 8 -11.076 8.570 2.829 49 2HA GLY 8 2HA GLY 8 -11.219 9.882 3.982 50 H LEU 9 H LEU 9 -8.556 7.828 4.740 51 HA LEU 9 HA LEU 9 -6.716 9.901 4.069 52 1HB LEU 9 1HB LEU 9 -6.362 8.749 6.089 53 2HB LEU 9 2HB LEU 9 -6.493 7.178 5.324 54 HG LEU 9 HG LEU 9 -4.171 7.973 6.034 55 1HD1 LEU 9 3HD1 LEU 9 -4.948 6.185 4.195 56 2HD1 LEU 9 1HD1 LEU 9 -4.029 7.291 3.145 57 3HD1 LEU 9 2HD1 LEU 9 -3.240 6.536 4.551 58 1HD2 LEU 9 2HD2 LEU 9 -4.733 9.879 3.789 59 2HD2 LEU 9 3HD2 LEU 9 -3.928 10.158 5.352 60 3HD2 LEU 9 1HD2 LEU 9 -3.075 9.290 4.053 61 H LYS 10 H LYS 10 -6.581 10.230 1.856 62 HA LYS 10 HA LYS 10 -5.901 7.862 0.266 63 1HB LYS 10 1HB LYS 10 -6.742 9.010 -1.638 64 2HB LYS 10 2HB LYS 10 -7.936 9.180 -0.368 65 1HG LYS 10 1HG LYS 10 -5.832 11.325 -0.574 66 2HG LYS 10 2HG LYS 10 -7.064 11.288 -1.820 67 1HD LYS 10 1HD LYS 10 -8.370 10.922 0.732 68 2HD LYS 10 2HD LYS 10 -7.282 12.288 0.875 69 1HE LYS 10 1HE LYS 10 -9.235 11.986 -1.450 70 2HE LYS 10 2HE LYS 10 -9.660 12.814 0.035 71 1HZ LYS 10 1HZ LYS 10 -7.205 13.600 -1.398 72 2HZ LYS 10 2HZ LYS 10 -8.643 14.172 -1.905 73 H MET 11 H MET 11 -4.241 8.239 -1.491 74 HA MET 11 HA MET 11 -2.205 10.046 -0.437 75 1HB MET 11 1HB MET 11 -1.687 7.581 -2.166 76 2HB MET 11 2HB MET 11 -0.543 8.425 -1.141 77 1HG MET 11 1HG MET 11 -1.158 7.232 0.707 78 2HG MET 11 2HG MET 11 -2.865 7.476 0.400 79 1HE MET 11 1HE MET 11 0.231 5.704 -0.038 80 2HE MET 11 2HE MET 11 -0.541 4.301 0.738 81 3HE MET 11 3HE MET 11 -0.070 4.222 -0.977 82 H GLU 12 H GLU 12 -1.429 11.631 -1.790 83 HA GLU 12 HA GLU 12 -2.044 11.292 -4.620 84 1HB GLU 12 1HB GLU 12 -3.644 12.898 -3.738 85 2HB GLU 12 2HB GLU 12 -2.383 13.789 -2.908 86 1HG GLU 12 1HG GLU 12 -1.845 13.486 -5.802 87 2HG GLU 12 2HG GLU 12 -3.349 14.327 -5.480 88 H ALA 13 H ALA 13 0.303 10.364 -4.204 89 HA ALA 13 HA ALA 13 2.236 12.564 -4.176 90 1HB ALA 13 3HB ALA 13 2.197 10.229 -2.764 91 2HB ALA 13 1HB ALA 13 3.149 9.735 -4.185 92 3HB ALA 13 2HB ALA 13 3.685 11.109 -3.188 93 H THR 14 H THR 14 0.571 10.280 -6.219 94 HA THR 14 HA THR 14 2.411 10.986 -8.408 95 HB THR 14 HB THR 14 2.262 8.729 -9.217 96 HG1 THR 14 HG1 THR 14 0.090 8.688 -7.250 97 1HG2 THR 14 1HG2 THR 14 3.309 9.095 -6.707 98 2HG2 THR 14 2HG2 THR 14 2.003 7.945 -6.335 99 3HG2 THR 14 3HG2 THR 14 3.263 7.510 -7.515 100 H LYS 15 H LYS 15 1.118 10.273 -10.602 101 HA LYS 15 HA LYS 15 -1.007 12.164 -10.671 102 1HB LYS 15 1HB LYS 15 0.693 11.741 -12.491 103 2HB LYS 15 2HB LYS 15 -0.129 10.233 -12.834 104 1HG LYS 15 1HG LYS 15 -2.137 12.296 -12.672 105 2HG LYS 15 2HG LYS 15 -0.844 12.899 -13.689 106 1HD LYS 15 1HD LYS 15 -0.971 10.903 -15.127 107 2HD LYS 15 2HD LYS 15 -2.142 10.159 -14.056 108 1HE LYS 15 1HE LYS 15 -3.682 12.161 -14.502 109 2HE LYS 15 2HE LYS 15 -2.543 12.683 -15.727 110 1HZ LYS 15 1HZ LYS 15 -2.903 10.142 -16.457 111 2HZ LYS 15 2HZ LYS 15 -4.365 10.417 -15.794 112 H GLN 16 H GLN 16 -0.842 9.028 -9.505 113 HA GLN 16 HA GLN 16 -3.686 8.705 -10.037 114 1HB GLN 16 1HB GLN 16 -1.723 6.382 -9.895 115 2HB GLN 16 2HB GLN 16 -3.420 6.307 -10.324 116 1HG GLN 16 1HG GLN 16 -1.882 8.210 -11.998 117 2HG GLN 16 2HG GLN 16 -1.303 6.561 -12.124 118 1HE2 GLN 16 2HE2 GLN 16 -4.519 5.242 -13.233 119 2HE2 GLN 16 1HE2 GLN 16 -3.299 4.936 -12.042 120 HA PRO 17 HA PRO 17 -3.086 8.642 -5.607 121 1HB PRO 17 1HB PRO 17 -5.411 9.925 -4.958 122 2HB PRO 17 2HB PRO 17 -3.898 10.764 -5.234 123 1HG PRO 17 1HG PRO 17 -6.263 10.580 -6.997 124 2HG PRO 17 2HG PRO 17 -4.941 11.730 -7.049 125 1HD PRO 17 1HD PRO 17 -5.326 9.479 -8.785 126 2HD PRO 17 2HD PRO 17 -3.948 10.561 -8.761 127 H VAL 18 H VAL 18 -4.543 7.890 -3.711 128 HA VAL 18 HA VAL 18 -6.589 6.082 -4.608 129 HB VAL 18 HB VAL 18 -3.979 5.076 -3.462 130 1HG1 VAL 18 3HG1 VAL 18 -6.689 4.005 -3.233 131 2HG1 VAL 18 1HG1 VAL 18 -5.569 2.864 -4.015 132 3HG1 VAL 18 2HG1 VAL 18 -5.192 3.519 -2.403 133 1HG2 VAL 18 2HG2 VAL 18 -5.409 4.660 -6.099 134 2HG2 VAL 18 3HG2 VAL 18 -3.771 5.297 -5.814 135 3HG2 VAL 18 1HG2 VAL 18 -4.121 3.576 -5.520 136 H VAL 19 H VAL 19 -7.961 5.425 -2.873 137 HA VAL 19 HA VAL 19 -7.455 6.961 -0.426 138 HB VAL 19 HB VAL 19 -9.990 5.973 -1.738 139 1HG1 VAL 19 1HG1 VAL 19 -9.561 6.243 1.013 140 2HG1 VAL 19 2HG1 VAL 19 -10.381 7.748 0.534 141 3HG1 VAL 19 3HG1 VAL 19 -11.129 6.174 0.175 142 1HG2 VAL 19 3HG2 VAL 19 -8.515 8.276 -2.184 143 2HG2 VAL 19 1HG2 VAL 19 -10.235 8.039 -2.575 144 3HG2 VAL 19 2HG2 VAL 19 -9.769 8.809 -1.039 145 H PHE 20 H PHE 20 -6.683 5.794 1.250 146 HA PHE 20 HA PHE 20 -7.248 2.923 1.265 147 1HB PHE 20 1HB PHE 20 -4.882 3.921 1.383 148 2HB PHE 20 2HB PHE 20 -5.343 4.753 2.855 149 HD1 PHE 20 HD2 PHE 20 -5.247 1.277 1.439 150 HD2 PHE 20 HD1 PHE 20 -4.835 3.762 4.897 151 HE1 PHE 20 HE2 PHE 20 -4.528 -0.739 2.811 152 HE2 PHE 20 HE1 PHE 20 -4.117 1.737 6.258 153 HZ PHE 20 HZ PHE 20 -3.971 -0.517 5.092 154 H ASN 21 H ASN 21 -7.656 1.898 3.436 155 HA ASN 21 HA ASN 21 -8.955 3.743 5.258 156 1HB ASN 21 1HB ASN 21 -10.173 1.191 4.087 157 2HB ASN 21 2HB ASN 21 -10.816 1.971 5.519 158 1HD2 ASN 21 1HD2 ASN 21 -11.595 4.133 5.379 159 2HD2 ASN 21 2HD2 ASN 21 -12.222 4.769 3.895 160 H HIS 22 H HIS 22 -8.920 2.947 7.489 161 HA HIS 22 HA HIS 22 -7.059 0.729 7.839 162 1HB HIS 22 1HB HIS 22 -7.736 3.185 9.408 163 2HB HIS 22 2HB HIS 22 -7.179 1.773 10.286 164 HD1 HIS 22 HD1 HIS 22 -6.023 4.446 7.920 165 HD2 HIS 22 HD2 HIS 22 -4.465 1.041 9.811 166 HE1 HIS 22 HE1 HIS 22 -3.490 4.563 7.631 167 H SER 23 H SER 23 -10.399 1.667 8.131 168 HA SER 23 HA SER 23 -10.994 -0.194 10.191 169 1HB SER 23 1HB SER 23 -12.306 1.911 9.756 170 2HB SER 23 2HB SER 23 -12.864 1.226 8.243 171 HG SER 23 HG SER 23 -14.362 0.144 9.311 172 H THR 24 H THR 24 -9.992 -0.615 7.056 173 HA THR 24 HA THR 24 -11.792 -2.891 6.570 174 HB THR 24 HB THR 24 -10.000 -1.208 4.743 175 HG1 THR 24 HG1 THR 24 -12.876 -1.770 4.927 176 1HG2 THR 24 1HG2 THR 24 -11.098 -3.898 4.378 177 2HG2 THR 24 2HG2 THR 24 -11.887 -2.750 3.270 178 3HG2 THR 24 3HG2 THR 24 -10.116 -2.935 3.248 179 H HIS 25 H HIS 25 -8.427 -1.891 7.135 180 HA HIS 25 HA HIS 25 -7.629 -4.678 6.799 181 1HB HIS 25 1HB HIS 25 -5.949 -2.167 7.055 182 2HB HIS 25 2HB HIS 25 -5.323 -3.788 6.831 183 HD1 HIS 25 HD1 HIS 25 -7.430 -1.184 5.004 184 HD2 HIS 25 HD2 HIS 25 -5.197 -4.644 4.204 185 HE1 HIS 25 HE1 HIS 25 -7.305 -1.383 2.463 186 H LYS 26 H LYS 26 -9.313 -3.933 9.025 187 HA LYS 26 HA LYS 26 -7.759 -3.418 11.317 188 1HB LYS 26 1HB LYS 26 -10.489 -4.720 11.103 189 2HB LYS 26 2HB LYS 26 -9.787 -4.007 12.541 190 1HG LYS 26 1HG LYS 26 -9.710 -1.785 11.440 191 2HG LYS 26 2HG LYS 26 -10.317 -2.478 9.949 192 1HD LYS 26 1HD LYS 26 -11.778 -2.118 12.586 193 2HD LYS 26 2HD LYS 26 -12.237 -1.526 11.002 194 1HE LYS 26 1HE LYS 26 -12.425 -4.029 10.305 195 2HE LYS 26 2HE LYS 26 -12.339 -4.396 12.016 196 1HZ LYS 26 1HZ LYS 26 -14.265 -2.807 12.287 197 2HZ LYS 26 2HZ LYS 26 -14.410 -2.759 10.665 198 H SER 27 H SER 27 -8.927 -6.424 9.704 199 HA SER 27 HA SER 27 -7.962 -8.106 11.717 200 1HB SER 27 1HB SER 27 -8.367 -9.915 10.103 201 2HB SER 27 2HB SER 27 -9.700 -8.778 10.081 202 HG SER 27 HG SER 27 -8.037 -9.521 8.032 203 H VAL 28 H VAL 28 -6.398 -6.222 9.289 204 HA VAL 28 HA VAL 28 -4.156 -8.017 8.978 205 HB VAL 28 HB VAL 28 -4.544 -5.169 8.037 206 1HG1 VAL 28 2HG1 VAL 28 -2.237 -6.662 8.076 207 2HG1 VAL 28 3HG1 VAL 28 -2.884 -7.018 6.456 208 3HG1 VAL 28 1HG1 VAL 28 -2.583 -5.333 6.944 209 1HG2 VAL 28 1HG2 VAL 28 -5.500 -7.788 6.934 210 2HG2 VAL 28 2HG2 VAL 28 -6.296 -6.196 6.953 211 3HG2 VAL 28 3HG2 VAL 28 -4.977 -6.517 5.803 212 H LYS 29 H LYS 29 -2.101 -7.748 9.890 213 HA LYS 29 HA LYS 29 -2.091 -6.356 12.377 214 1HB LYS 29 1HB LYS 29 -0.645 -8.479 11.141 215 2HB LYS 29 2HB LYS 29 0.520 -7.252 11.598 216 1HG LYS 29 1HG LYS 29 0.400 -8.232 13.665 217 2HG LYS 29 2HG LYS 29 -1.050 -7.264 13.847 218 1HD LYS 29 1HD LYS 29 -2.355 -9.118 13.921 219 2HD LYS 29 2HD LYS 29 -1.716 -9.690 12.393 220 1HE LYS 29 1HE LYS 29 -0.038 -9.984 14.900 221 2HE LYS 29 2HE LYS 29 -1.349 -11.110 14.612 222 1HZ LYS 29 1HZ LYS 29 0.639 -10.575 12.491 223 2HZ LYS 29 2HZ LYS 29 0.946 -11.679 13.648 224 H CYS 30 H CYS 30 -1.079 -4.437 12.939 225 HA CYS 30 HA CYS 30 -0.809 -2.527 10.956 226 1HB CYS 30 1HB CYS 30 0.582 -2.328 13.615 227 2HB CYS 30 2HB CYS 30 -0.112 -1.049 12.639 228 H GLY 31 H GLY 31 1.479 -4.823 12.469 229 1HA GLY 31 1HA GLY 31 3.842 -3.612 11.396 230 2HA GLY 31 2HA GLY 31 3.693 -5.183 12.158 231 H ASP 32 H ASP 32 1.250 -5.168 9.890 232 HA ASP 32 HA ASP 32 2.792 -6.819 8.164 233 1HB ASP 32 1HB ASP 32 0.377 -7.241 8.838 234 2HB ASP 32 2HB ASP 32 -0.091 -5.850 7.881 235 H CYS 33 H CYS 33 1.410 -3.529 8.258 236 HA CYS 33 HA CYS 33 2.237 -3.117 5.485 237 1HB CYS 33 1HB CYS 33 0.086 -1.953 7.183 238 2HB CYS 33 2HB CYS 33 0.887 -0.850 6.081 239 H HIS 34 H HIS 34 2.189 -1.528 8.764 240 HA HIS 34 HA HIS 34 4.261 0.273 8.008 241 1HB HIS 34 1HB HIS 34 3.043 -0.354 10.713 242 2HB HIS 34 2HB HIS 34 4.147 0.968 10.386 243 HD1 HIS 34 HD1 HIS 34 3.236 2.925 8.798 244 HD2 HIS 34 HD2 HIS 34 0.380 0.120 10.052 245 HE1 HIS 34 HE1 HIS 34 0.955 3.973 8.340 246 H HIS 35 H HIS 35 5.451 -1.917 7.248 247 HA HIS 35 HA HIS 35 6.589 -3.664 8.933 248 1HB HIS 35 1HB HIS 35 8.375 -3.905 7.324 249 2HB HIS 35 2HB HIS 35 6.848 -3.671 6.496 250 HD1 HIS 35 HD1 HIS 35 9.898 -1.597 7.538 251 HD2 HIS 35 HD2 HIS 35 6.890 -1.677 4.616 252 HE1 HIS 35 HE1 HIS 35 10.463 0.259 5.880 253 HA PRO 36 HA PRO 36 9.220 -1.460 11.565 254 1HB PRO 36 1HB PRO 36 10.956 -3.420 12.350 255 2HB PRO 36 2HB PRO 36 9.353 -3.229 13.033 256 1HG PRO 36 1HG PRO 36 10.317 -5.250 11.102 257 2HG PRO 36 2HG PRO 36 8.881 -5.288 12.106 258 1HD PRO 36 1HD PRO 36 8.996 -4.719 9.297 259 2HD PRO 36 2HD PRO 36 7.578 -4.644 10.325 260 H VAL 37 H VAL 37 10.839 -0.009 11.452 261 HA VAL 37 HA VAL 37 12.926 -0.732 9.514 262 HB VAL 37 HB VAL 37 11.523 1.922 9.882 263 1HG1 VAL 37 1HG1 VAL 37 14.179 1.314 8.900 264 2HG1 VAL 37 2HG1 VAL 37 13.175 2.009 7.605 265 3HG1 VAL 37 3HG1 VAL 37 13.389 2.892 9.135 266 1HG2 VAL 37 2HG2 VAL 37 11.425 -0.229 7.781 267 2HG2 VAL 37 3HG2 VAL 37 10.096 0.685 8.535 268 3HG2 VAL 37 1HG2 VAL 37 11.143 1.469 7.328 269 H ASN 38 H ASN 38 14.864 -0.884 10.504 270 HA ASN 38 HA ASN 38 16.589 -0.250 11.707 271 1HB ASN 38 1HB ASN 38 15.320 2.143 11.690 272 2HB ASN 38 2HB ASN 38 15.067 1.758 13.381 273 1HD2 ASN 38 2HD2 ASN 38 18.469 1.927 14.365 274 2HD2 ASN 38 1HD2 ASN 38 16.932 1.196 14.685 275 H GLY 39 H GLY 39 13.684 -1.551 12.612 276 1HA GLY 39 1HA GLY 39 13.509 -3.234 14.229 277 2HA GLY 39 2HA GLY 39 14.726 -2.441 15.209 278 H LYS 40 H LYS 40 12.817 0.057 14.070 279 HA LYS 40 HA LYS 40 11.215 -0.007 16.521 280 1HB LYS 40 1HB LYS 40 11.123 2.408 16.337 281 2HB LYS 40 2HB LYS 40 12.789 1.866 16.295 282 1HG LYS 40 1HG LYS 40 13.063 2.397 14.034 283 2HG LYS 40 2HG LYS 40 11.370 2.151 13.655 284 1HD LYS 40 1HD LYS 40 10.894 4.346 13.989 285 2HD LYS 40 2HD LYS 40 11.638 4.330 15.575 286 1HE LYS 40 1HE LYS 40 13.409 4.366 13.117 287 2HE LYS 40 2HE LYS 40 12.643 5.853 13.639 288 1HZ LYS 40 1HZ LYS 40 14.691 4.284 15.020 289 2HZ LYS 40 2HZ LYS 40 14.550 5.902 14.899 290 H GLU 41 H GLU 41 8.958 0.683 16.420 291 HA GLU 41 HA GLU 41 7.856 0.409 13.739 292 1HB GLU 41 1HB GLU 41 7.494 -1.385 15.996 293 2HB GLU 41 2HB GLU 41 5.954 -0.661 15.575 294 1HG GLU 41 1HG GLU 41 6.839 -1.244 13.068 295 2HG GLU 41 2HG GLU 41 7.706 -2.483 13.954 296 H ASP 42 H ASP 42 6.857 2.309 13.244 297 HA ASP 42 HA ASP 42 5.232 3.489 15.336 298 1HB ASP 42 1HB ASP 42 7.074 5.084 13.495 299 2HB ASP 42 2HB ASP 42 6.027 5.752 14.731 300 H TYR 43 H TYR 43 3.424 4.781 14.424 301 HA TYR 43 HA TYR 43 2.650 3.845 11.812 302 1HB TYR 43 1HB TYR 43 1.421 5.800 13.855 303 2HB TYR 43 2HB TYR 43 0.548 5.093 12.510 304 HD1 TYR 43 HD1 TYR 43 2.205 2.335 13.099 305 HD2 TYR 43 HD2 TYR 43 -0.417 4.893 15.308 306 HE1 TYR 43 HE1 TYR 43 1.525 0.377 14.571 307 HE2 TYR 43 HE2 TYR 43 -1.089 2.927 16.774 308 HH TYR 43 HH TYR 43 -0.772 -0.083 16.004 309 H ARG 44 H ARG 44 3.877 4.854 10.207 310 HA ARG 44 HA ARG 44 3.533 7.743 10.148 311 1HB ARG 44 1HB ARG 44 5.990 6.227 10.187 312 2HB ARG 44 2HB ARG 44 5.851 6.952 8.598 313 1HG ARG 44 1HG ARG 44 5.611 9.186 9.548 314 2HG ARG 44 2HG ARG 44 5.449 8.543 11.170 315 1HD ARG 44 1HD ARG 44 7.947 7.852 9.618 316 2HD ARG 44 2HD ARG 44 7.802 9.475 10.262 317 HE ARG 44 HE ARG 44 7.213 7.305 12.179 318 1HH1 ARG 44 2HH2 ARG 44 9.642 9.556 10.918 319 2HH1 ARG 44 1HH2 ARG 44 10.657 9.438 12.316 320 HH2 ARG 44 HH1 ARG 44 9.998 8.016 14.129 321 H LYS 45 H LYS 45 4.096 8.513 7.689 322 HA LYS 45 HA LYS 45 2.303 6.946 6.043 323 1HB LYS 45 1HB LYS 45 3.515 9.705 5.813 324 2HB LYS 45 2HB LYS 45 2.652 8.959 4.484 325 1HG LYS 45 1HG LYS 45 0.834 9.959 5.485 326 2HG LYS 45 2HG LYS 45 0.836 8.493 6.446 327 1HD LYS 45 1HD LYS 45 0.899 9.953 8.216 328 2HD LYS 45 2HD LYS 45 2.621 9.971 7.893 329 1HE LYS 45 1HE LYS 45 2.076 12.272 7.948 330 2HE LYS 45 2HE LYS 45 2.100 11.922 6.231 331 1HZ LYS 45 1HZ LYS 45 -0.279 11.795 6.210 332 2HZ LYS 45 2HZ LYS 45 -0.395 11.827 7.834 333 H CYS 46 H CYS 46 2.874 5.795 4.215 334 HA CYS 46 HA CYS 46 5.451 4.809 4.077 335 1HB CYS 46 1HB CYS 46 3.634 4.834 1.688 336 2HB CYS 46 2HB CYS 46 4.765 3.600 2.207 337 H GLY 47 H GLY 47 3.717 7.275 2.043 338 1HA GLY 47 1HA GLY 47 6.067 7.910 0.521 339 2HA GLY 47 2HA GLY 47 4.512 8.717 0.484 340 H THR 48 H THR 48 6.969 8.125 3.106 341 HA THR 48 HA THR 48 6.687 10.933 3.868 342 HB THR 48 HB THR 48 7.598 8.355 5.173 343 HG1 THR 48 HG1 THR 48 6.034 9.255 6.691 344 1HG2 THR 48 1HG2 THR 48 9.361 10.224 5.597 345 2HG2 THR 48 2HG2 THR 48 8.045 11.115 6.398 346 3HG2 THR 48 3HG2 THR 48 8.568 9.538 7.036 347 H ALA 49 H ALA 49 8.232 12.460 3.627 348 HA ALA 49 HA ALA 49 10.216 12.106 1.742 349 1HB ALA 49 2HB ALA 49 9.094 14.216 2.980 350 2HB ALA 49 3HB ALA 49 10.611 14.131 3.908 351 3HB ALA 49 1HB ALA 49 10.659 14.325 2.139 352 H GLY 50 H GLY 50 11.756 10.525 1.903 353 1HA GLY 50 1HA GLY 50 14.011 10.296 2.840 354 2HA GLY 50 2HA GLY 50 13.292 10.438 4.432 355 H CYS 51 H CYS 51 10.896 8.835 2.915 356 HA CYS 51 HA CYS 51 12.074 6.245 3.594 357 1HB CYS 51 1HB CYS 51 9.188 7.180 3.622 358 2HB CYS 51 2HB CYS 51 9.668 5.506 3.827 359 H HIS 52 H HIS 52 9.027 6.535 1.831 360 HA HIS 52 HA HIS 52 10.366 5.403 -0.497 361 1HB HIS 52 1HB HIS 52 7.477 5.373 0.406 362 2HB HIS 52 2HB HIS 52 8.009 4.769 -1.150 363 HD1 HIS 52 HD1 HIS 52 9.962 2.786 -0.953 364 HD2 HIS 52 HD2 HIS 52 7.538 3.496 2.396 365 HE1 HIS 52 HE1 HIS 52 10.152 0.711 0.519 366 H ASP 53 H ASP 53 11.236 7.581 -1.054 367 HA ASP 53 HA ASP 53 9.185 9.041 -2.507 368 1HB ASP 53 1HB ASP 53 9.528 10.531 -0.716 369 2HB ASP 53 2HB ASP 53 11.208 10.073 -0.520 370 H SER 54 H SER 54 10.110 7.729 -4.339 371 HA SER 54 HA SER 54 12.813 8.556 -5.035 372 1HB SER 54 1HB SER 54 13.063 6.542 -6.227 373 2HB SER 54 2HB SER 54 12.120 6.053 -4.833 374 HG SER 54 HG SER 54 11.362 5.297 -7.019 375 H MET 55 H MET 55 9.396 8.417 -6.078 376 HA MET 55 HA MET 55 8.320 9.263 -7.774 377 1HB MET 55 1HB MET 55 10.293 11.297 -6.896 378 2HB MET 55 2HB MET 55 9.781 11.558 -8.552 379 1HG MET 55 1HG MET 55 8.075 12.711 -7.485 380 2HG MET 55 2HG MET 55 7.339 11.121 -7.494 381 1HE MET 55 3HE MET 55 7.268 9.570 -5.925 382 2HE MET 55 1HE MET 55 7.716 9.642 -4.203 383 3HE MET 55 2HE MET 55 6.220 10.425 -4.767 384 H ASP 56 H ASP 56 10.283 7.253 -8.493 385 HA ASP 56 HA ASP 56 11.160 8.277 -11.073 386 1HB ASP 56 1HB ASP 56 12.805 7.203 -9.342 387 2HB ASP 56 2HB ASP 56 12.058 5.677 -9.772 388 H LYS 57 H LYS 57 9.282 5.839 -9.271 389 HA LYS 57 HA LYS 57 7.710 4.416 -9.894 390 1HB LYS 57 1HB LYS 57 6.911 6.281 -11.328 391 2HB LYS 57 2HB LYS 57 7.892 5.675 -12.647 392 1HG LYS 57 1HG LYS 57 6.022 3.733 -11.300 393 2HG LYS 57 2HG LYS 57 5.310 4.954 -12.335 394 1HD LYS 57 1HD LYS 57 7.495 4.017 -13.838 395 2HD LYS 57 2HD LYS 57 6.883 2.568 -13.066 396 1HE LYS 57 1HE LYS 57 4.512 3.641 -13.856 397 2HE LYS 57 2HE LYS 57 5.546 4.365 -15.072 398 1HZ LYS 57 1HZ LYS 57 6.345 1.738 -14.972 399 2HZ LYS 57 2HZ LYS 57 4.725 1.639 -14.843 400 H LYS 58 H LYS 58 9.911 4.681 -12.780 401 HA LYS 58 HA LYS 58 10.066 1.787 -12.821 402 1HB LYS 58 1HB LYS 58 9.694 3.241 -14.875 403 2HB LYS 58 2HB LYS 58 11.359 3.761 -14.717 404 1HG LYS 58 1HG LYS 58 12.006 1.898 -15.831 405 2HG LYS 58 2HG LYS 58 11.450 0.932 -14.479 406 1HD LYS 58 1HD LYS 58 9.887 0.038 -15.858 407 2HD LYS 58 2HD LYS 58 9.078 1.593 -15.852 408 1HE LYS 58 1HE LYS 58 9.874 2.180 -17.946 409 2HE LYS 58 2HE LYS 58 11.415 1.381 -17.707 410 1HZ LYS 58 1HZ LYS 58 9.236 0.379 -19.099 411 2HZ LYS 58 2HZ LYS 58 10.617 -0.418 -18.764 412 H ASP 59 H ASP 59 11.098 2.079 -10.526 413 HA ASP 59 HA ASP 59 13.964 2.127 -11.003 414 1HB ASP 59 1HB ASP 59 13.444 4.242 -9.896 415 2HB ASP 59 2HB ASP 59 12.433 3.436 -8.713 416 H LYS 60 H LYS 60 11.338 1.466 -8.556 417 HA LYS 60 HA LYS 60 10.890 -0.297 -7.301 418 1HB LYS 60 1HB LYS 60 12.835 -1.863 -9.021 419 2HB LYS 60 2HB LYS 60 11.592 -2.521 -7.977 420 1HG LYS 60 1HG LYS 60 10.189 -2.445 -9.761 421 2HG LYS 60 2HG LYS 60 10.180 -0.702 -9.585 422 1HD LYS 60 1HD LYS 60 12.002 -0.440 -11.172 423 2HD LYS 60 2HD LYS 60 12.330 -2.162 -11.179 424 1HE LYS 60 1HE LYS 60 9.663 -2.138 -11.907 425 2HE LYS 60 2HE LYS 60 10.212 -0.632 -12.615 426 1HZ LYS 60 1HZ LYS 60 10.915 -3.335 -13.359 427 2HZ LYS 60 2HZ LYS 60 10.919 -1.987 -14.272 428 H SER 61 H SER 61 13.190 -2.427 -6.867 429 HA SER 61 HA SER 61 14.938 -2.704 -5.580 430 1HB SER 61 1HB SER 61 15.167 0.291 -5.098 431 2HB SER 61 2HB SER 61 16.425 -0.918 -4.929 432 HG SER 61 HG SER 61 15.804 0.533 -7.118 433 H ALA 62 H ALA 62 13.448 0.315 -4.184 434 HA ALA 62 HA ALA 62 11.904 -0.990 -2.276 435 1HB ALA 62 1HB ALA 62 14.415 -1.507 -1.590 436 2HB ALA 62 2HB ALA 62 14.344 0.145 -0.931 437 3HB ALA 62 3HB ALA 62 13.201 -1.093 -0.356 438 H LYS 63 H LYS 63 14.036 1.816 -3.039 439 HA LYS 63 HA LYS 63 12.550 3.674 -1.544 440 1HB LYS 63 1HB LYS 63 14.638 3.806 -3.693 441 2HB LYS 63 2HB LYS 63 13.754 5.262 -3.284 442 1HG LYS 63 1HG LYS 63 14.383 4.212 -0.771 443 2HG LYS 63 2HG LYS 63 15.799 3.802 -1.718 444 1HD LYS 63 1HD LYS 63 16.438 6.003 -1.980 445 2HD LYS 63 2HD LYS 63 14.790 6.575 -2.144 446 1HE LYS 63 1HE LYS 63 15.180 7.441 -0.045 447 2HE LYS 63 2HE LYS 63 14.709 5.834 0.473 448 1HZ LYS 63 1HZ LYS 63 16.746 6.003 1.489 449 2HZ LYS 63 2HZ LYS 63 17.280 5.399 0.075 450 H GLY 64 H GLY 64 11.943 2.000 -4.531 451 1HA GLY 64 1HA GLY 64 10.357 3.932 -5.844 452 2HA GLY 64 2HA GLY 64 10.343 2.199 -6.101 453 H TYR 65 H TYR 65 8.730 4.922 -4.630 454 HA TYR 65 HA TYR 65 7.194 3.641 -2.697 455 1HB TYR 65 1HB TYR 65 7.361 6.094 -2.954 456 2HB TYR 65 2HB TYR 65 6.832 6.009 -4.623 457 HD1 TYR 65 HD1 TYR 65 5.609 5.233 -1.163 458 HD2 TYR 65 HD2 TYR 65 4.605 6.472 -5.133 459 HE1 TYR 65 HE1 TYR 65 3.211 5.657 -0.432 460 HE2 TYR 65 HE2 TYR 65 2.210 6.892 -4.388 461 HH TYR 65 HH TYR 65 0.789 5.697 -2.141 462 H TYR 66 H TYR 66 6.638 4.135 -6.235 463 HA TYR 66 HA TYR 66 4.059 2.916 -6.140 464 1HB TYR 66 1HB TYR 66 4.484 4.493 -7.910 465 2HB TYR 66 2HB TYR 66 6.121 3.914 -8.148 466 HD1 TYR 66 HD1 TYR 66 6.467 1.662 -9.300 467 HD2 TYR 66 HD2 TYR 66 2.693 3.677 -9.234 468 HE1 TYR 66 HE1 TYR 66 5.679 0.265 -11.273 469 HE2 TYR 66 HE2 TYR 66 1.918 2.272 -11.206 470 HH TYR 66 HH TYR 66 2.456 0.787 -12.677 471 H HIS 67 H HIS 67 7.077 1.604 -5.646 472 HA HIS 67 HA HIS 67 6.499 -0.795 -7.199 473 1HB HIS 67 1HB HIS 67 8.677 -0.379 -7.655 474 2HB HIS 67 2HB HIS 67 8.944 0.515 -6.172 475 HD1 HIS 67 HD1 HIS 67 9.179 -2.917 -7.651 476 HD2 HIS 67 HD2 HIS 67 9.692 -1.078 -3.915 477 HE1 HIS 67 HE1 HIS 67 10.383 -4.616 -6.177 478 H VAL 68 H VAL 68 6.344 0.585 -4.004 479 HA VAL 68 HA VAL 68 6.237 -2.065 -2.784 480 HB VAL 68 HB VAL 68 6.060 -0.604 -0.680 481 1HG1 VAL 68 1HG1 VAL 68 8.066 -1.875 -1.343 482 2HG1 VAL 68 2HG1 VAL 68 8.600 -0.503 -2.343 483 3HG1 VAL 68 3HG1 VAL 68 8.487 -0.325 -0.576 484 1HG2 VAL 68 3HG2 VAL 68 5.489 1.481 -1.995 485 2HG2 VAL 68 1HG2 VAL 68 6.796 1.664 -0.801 486 3HG2 VAL 68 2HG2 VAL 68 7.186 1.517 -2.531 487 H MET 69 H MET 69 4.201 -0.349 -4.601 488 HA MET 69 HA MET 69 1.954 -0.815 -2.795 489 1HB MET 69 1HB MET 69 2.213 1.106 -5.178 490 2HB MET 69 2HB MET 69 0.766 0.921 -4.207 491 1HG MET 69 1HG MET 69 3.439 1.676 -2.952 492 2HG MET 69 2HG MET 69 2.361 2.889 -3.613 493 1HE MET 69 2HE MET 69 3.699 1.961 -0.970 494 2HE MET 69 3HE MET 69 2.612 2.823 0.145 495 3HE MET 69 1HE MET 69 2.690 1.045 0.176 496 H HIS 70 H HIS 70 3.580 -1.794 -5.671 497 HA HIS 70 HA HIS 70 1.221 -3.349 -6.417 498 1HB HIS 70 1HB HIS 70 3.113 -2.194 -8.467 499 2HB HIS 70 2HB HIS 70 1.567 -2.974 -8.735 500 HD1 HIS 70 HD1 HIS 70 2.995 0.240 -7.246 501 HD2 HIS 70 HD2 HIS 70 -0.604 -1.270 -8.784 502 HE1 HIS 70 HE1 HIS 70 1.396 2.223 -7.402 503 H ASP 71 H ASP 71 4.752 -2.954 -7.214 504 HA ASP 71 HA ASP 71 5.359 -5.381 -8.002 505 1HB ASP 71 1HB ASP 71 6.802 -3.228 -7.120 506 2HB ASP 71 2HB ASP 71 7.160 -4.361 -5.832 507 H LYS 72 H LYS 72 5.164 -7.472 -7.168 508 HA LYS 72 HA LYS 72 4.438 -7.717 -4.365 509 1HB LYS 72 1HB LYS 72 4.475 -9.918 -6.434 510 2HB LYS 72 2HB LYS 72 3.582 -9.855 -4.928 511 1HG LYS 72 1HG LYS 72 1.832 -8.930 -6.029 512 2HG LYS 72 2HG LYS 72 2.814 -7.519 -6.371 513 1HD LYS 72 1HD LYS 72 2.198 -8.230 -8.531 514 2HD LYS 72 2HD LYS 72 3.794 -8.933 -8.352 515 1HE LYS 72 1HE LYS 72 1.737 -10.726 -7.270 516 2HE LYS 72 2HE LYS 72 1.387 -10.310 -8.936 517 1HZ LYS 72 1HZ LYS 72 3.192 -12.185 -8.158 518 2HZ LYS 72 2HZ LYS 72 3.152 -11.509 -9.639 519 H ASN 73 H ASN 73 7.059 -8.422 -6.660 520 HA ASN 73 HA ASN 73 8.382 -10.241 -5.003 521 1HB ASN 73 1HB ASN 73 9.000 -8.650 -7.468 522 2HB ASN 73 2HB ASN 73 10.399 -9.135 -6.531 523 1HD2 ASN 73 2HD2 ASN 73 7.888 -12.002 -8.182 524 2HD2 ASN 73 1HD2 ASN 73 7.305 -10.438 -7.718 525 H THR 74 H THR 74 8.064 -8.857 -2.936 526 HA THR 74 HA THR 74 10.392 -7.104 -2.621 527 HB THR 74 HB THR 74 8.893 -5.516 -1.344 528 HG1 THR 74 HG1 THR 74 7.002 -6.578 -0.856 529 1HG2 THR 74 2HG2 THR 74 9.163 -5.612 -4.083 530 2HG2 THR 74 3HG2 THR 74 7.401 -5.810 -3.921 531 3HG2 THR 74 1HG2 THR 74 8.203 -4.375 -3.237 532 H LYS 75 H LYS 75 11.115 -6.873 -0.391 533 HA LYS 75 HA LYS 75 11.075 -9.360 0.915 534 1HB LYS 75 1HB LYS 75 13.013 -7.959 1.049 535 2HB LYS 75 2HB LYS 75 12.092 -6.622 1.709 536 1HG LYS 75 1HG LYS 75 11.800 -7.685 3.815 537 2HG LYS 75 2HG LYS 75 12.121 -9.281 3.167 538 1HD LYS 75 1HD LYS 75 14.367 -9.075 3.492 539 2HD LYS 75 2HD LYS 75 14.411 -7.493 2.739 540 1HE LYS 75 1HE LYS 75 13.333 -6.621 4.964 541 2HE LYS 75 2HE LYS 75 13.804 -8.166 5.643 542 1HZ LYS 75 1HZ LYS 75 15.823 -6.598 4.186 543 2HZ LYS 75 2HZ LYS 75 15.460 -6.174 5.716 544 H PHE 76 H PHE 76 8.995 -6.531 1.022 545 HA PHE 76 HA PHE 76 7.656 -7.687 3.375 546 1HB PHE 76 1HB PHE 76 7.916 -4.853 2.197 547 2HB PHE 76 2HB PHE 76 6.805 -5.220 3.502 548 HD1 PHE 76 HD2 PHE 76 7.979 -6.506 5.572 549 HD2 PHE 76 HD1 PHE 76 9.981 -3.968 2.769 550 HE1 PHE 76 HE2 PHE 76 9.836 -6.096 7.259 551 HE2 PHE 76 HE1 PHE 76 11.831 -3.566 4.466 552 HZ PHE 76 HZ PHE 76 11.674 -4.718 6.727 553 H LYS 77 H LYS 77 5.263 -7.421 3.418 554 HA LYS 77 HA LYS 77 4.159 -8.262 0.961 555 1HB LYS 77 1HB LYS 77 3.082 -7.627 3.696 556 2HB LYS 77 2HB LYS 77 1.976 -7.880 2.361 557 1HG LYS 77 1HG LYS 77 4.035 -9.942 2.322 558 2HG LYS 77 2HG LYS 77 3.311 -9.869 3.916 559 1HD LYS 77 1HD LYS 77 1.683 -11.193 3.005 560 2HD LYS 77 2HD LYS 77 1.057 -9.694 2.349 561 1HE LYS 77 1HE LYS 77 1.798 -10.153 0.198 562 2HE LYS 77 2HE LYS 77 3.226 -11.005 0.750 563 1HZ LYS 77 1HZ LYS 77 2.030 -12.830 0.196 564 2HZ LYS 77 2HZ LYS 77 1.239 -12.625 1.604 565 H SER 78 H SER 78 3.366 -7.107 -0.720 566 HA SER 78 HA SER 78 3.277 -4.241 -0.343 567 1HB SER 78 1HB SER 78 3.545 -4.043 -2.682 568 2HB SER 78 2HB SER 78 4.531 -5.431 -2.272 569 HG SER 78 HG SER 78 3.310 -6.060 -4.045 570 H CYS 79 H CYS 79 1.418 -3.021 -1.430 571 HA CYS 79 HA CYS 79 -0.976 -3.724 -0.381 572 1HB CYS 79 1HB CYS 79 -0.572 -2.158 -2.937 573 2HB CYS 79 2HB CYS 79 -1.993 -2.125 -1.913 574 H VAL 80 H VAL 80 -0.124 -3.983 -3.919 575 HA VAL 80 HA VAL 80 -2.296 -5.657 -4.503 576 HB VAL 80 HB VAL 80 0.311 -5.106 -5.927 577 1HG1 VAL 80 1HG1 VAL 80 -2.027 -6.826 -6.669 578 2HG1 VAL 80 2HG1 VAL 80 -1.229 -5.873 -7.943 579 3HG1 VAL 80 3HG1 VAL 80 -0.292 -7.052 -6.994 580 1HG2 VAL 80 3HG2 VAL 80 -2.323 -3.753 -5.770 581 2HG2 VAL 80 1HG2 VAL 80 -0.706 -3.091 -6.112 582 3HG2 VAL 80 2HG2 VAL 80 -1.625 -3.907 -7.400 583 H GLY 81 H GLY 81 1.093 -6.255 -3.499 584 1HA GLY 81 1HA GLY 81 1.379 -8.918 -4.081 585 2HA GLY 81 2HA GLY 81 2.069 -8.113 -2.687 586 H CYS 82 H CYS 82 0.138 -7.549 -0.940 587 HA CYS 82 HA CYS 82 -0.591 -10.044 0.065 588 1HB CYS 82 1HB CYS 82 -0.198 -8.047 1.468 589 2HB CYS 82 2HB CYS 82 -1.646 -7.299 0.825 590 H HIS 83 H HIS 83 -2.392 -7.430 -1.679 591 HA HIS 83 HA HIS 83 -4.913 -8.481 -1.509 592 1HB HIS 83 1HB HIS 83 -3.506 -6.770 -3.542 593 2HB HIS 83 2HB HIS 83 -5.149 -7.303 -3.838 594 HD1 HIS 83 HD1 HIS 83 -5.995 -4.825 -3.658 595 HD2 HIS 83 HD2 HIS 83 -4.249 -6.335 -0.155 596 HE1 HIS 83 HE1 HIS 83 -6.604 -3.192 -1.794 597 H VAL 84 H VAL 84 -2.272 -9.223 -3.858 598 HA VAL 84 HA VAL 84 -3.744 -10.885 -5.517 599 HB VAL 84 HB VAL 84 -0.831 -10.742 -4.759 600 1HG1 VAL 84 2HG1 VAL 84 -2.119 -12.517 -6.860 601 2HG1 VAL 84 3HG1 VAL 84 -0.374 -12.192 -6.730 602 3HG1 VAL 84 1HG1 VAL 84 -1.221 -13.042 -5.416 603 1HG2 VAL 84 3HG2 VAL 84 -2.165 -8.946 -6.144 604 2HG2 VAL 84 1HG2 VAL 84 -0.538 -9.456 -6.657 605 3HG2 VAL 84 2HG2 VAL 84 -1.977 -10.123 -7.466 606 H GLU 85 H GLU 85 -2.159 -11.466 -2.356 607 HA GLU 85 HA GLU 85 -2.540 -14.261 -2.506 608 1HB GLU 85 1HB GLU 85 -1.439 -12.299 -0.587 609 2HB GLU 85 2HB GLU 85 -2.232 -13.652 0.195 610 1HG GLU 85 1HG GLU 85 -0.641 -14.665 -2.008 611 2HG GLU 85 2HG GLU 85 0.360 -13.597 -1.044 612 H VAL 86 H VAL 86 -4.406 -11.465 -1.336 613 HA VAL 86 HA VAL 86 -6.259 -13.053 0.150 614 HB VAL 86 HB VAL 86 -6.350 -10.194 -0.833 615 1HG1 VAL 86 3HG1 VAL 86 -8.246 -11.845 0.767 616 2HG1 VAL 86 1HG1 VAL 86 -7.953 -10.180 1.322 617 3HG1 VAL 86 2HG1 VAL 86 -8.554 -10.475 -0.327 618 1HG2 VAL 86 3HG2 VAL 86 -4.556 -11.173 0.918 619 2HG2 VAL 86 1HG2 VAL 86 -5.246 -9.538 1.047 620 3HG2 VAL 86 2HG2 VAL 86 -5.907 -10.863 2.034 621 H ALA 87 H ALA 87 -6.320 -11.280 -3.019 622 HA ALA 87 HA ALA 87 -8.886 -12.291 -3.686 623 1HB ALA 87 3HB ALA 87 -7.989 -10.162 -4.548 624 2HB ALA 87 1HB ALA 87 -6.692 -11.042 -5.390 625 3HB ALA 87 2HB ALA 87 -8.387 -11.271 -5.882 626 H GLY 88 H GLY 88 -5.783 -13.713 -3.506 627 1HA GLY 88 1HA GLY 88 -5.322 -15.269 -5.615 628 2HA GLY 88 2HA GLY 88 -5.213 -15.866 -3.971 629 H ALA 89 H ALA 89 -6.570 -16.481 -6.961 630 HA ALA 89 HA ALA 89 -8.393 -17.556 -7.697 631 1HB ALA 89 1HB ALA 89 -6.846 -19.299 -6.757 632 2HB ALA 89 2HB ALA 89 -7.796 -19.267 -5.252 633 3HB ALA 89 3HB ALA 89 -8.556 -19.795 -6.772 634 H ASP 90 H ASP 90 -10.063 -16.007 -7.436 635 HA ASP 90 HA ASP 90 -12.036 -16.830 -5.589 636 1HB ASP 90 1HB ASP 90 -10.355 -15.144 -4.387 637 2HB ASP 90 2HB ASP 90 -11.219 -13.928 -5.306 638 H ALA 91 H ALA 91 -10.711 -14.266 -7.775 639 HA ALA 91 HA ALA 91 -11.570 -13.332 -9.602 640 1HB ALA 91 1HB ALA 91 -12.799 -15.685 -9.700 641 2HB ALA 91 2HB ALA 91 -14.229 -14.703 -9.302 642 3HB ALA 91 3HB ALA 91 -13.290 -14.353 -10.773 643 H ALA 92 H ALA 92 -12.724 -11.391 -10.015 644 HA ALA 92 HA ALA 92 -14.127 -9.692 -9.592 645 1HB ALA 92 1HB ALA 92 -15.499 -11.666 -8.367 646 2HB ALA 92 2HB ALA 92 -15.048 -10.707 -6.936 647 3HB ALA 92 3HB ALA 92 -15.974 -9.954 -8.256 648 H LYS 93 H LYS 93 -12.503 -11.100 -6.674 649 HA LYS 93 HA LYS 93 -11.992 -8.529 -5.568 650 1HB LYS 93 1HB LYS 93 -11.018 -11.317 -4.903 651 2HB LYS 93 2HB LYS 93 -10.523 -9.895 -4.008 652 1HG LYS 93 1HG LYS 93 -13.475 -10.368 -4.479 653 2HG LYS 93 2HG LYS 93 -12.654 -11.306 -3.247 654 1HD LYS 93 1HD LYS 93 -12.217 -9.438 -1.903 655 2HD LYS 93 2HD LYS 93 -12.191 -8.328 -3.260 656 1HE LYS 93 1HE LYS 93 -14.795 -9.126 -3.411 657 2HE LYS 93 2HE LYS 93 -14.535 -9.363 -1.695 658 1HZ LYS 93 1HZ LYS 93 -14.502 -6.865 -3.208 659 2HZ LYS 93 2HZ LYS 93 -15.064 -7.146 -1.705 660 H LYS 94 H LYS 94 -10.201 -10.894 -7.592 661 HA LYS 94 HA LYS 94 -7.726 -9.584 -7.423 662 1HB LYS 94 1HB LYS 94 -8.886 -11.851 -8.785 663 2HB LYS 94 2HB LYS 94 -7.908 -10.926 -9.907 664 1HG LYS 94 1HG LYS 94 -6.009 -10.959 -8.267 665 2HG LYS 94 2HG LYS 94 -6.988 -11.903 -7.161 666 1HD LYS 94 1HD LYS 94 -7.047 -13.178 -9.766 667 2HD LYS 94 2HD LYS 94 -5.378 -12.848 -9.344 668 1HE LYS 94 1HE LYS 94 -5.652 -14.909 -8.289 669 2HE LYS 94 2HE LYS 94 -6.089 -13.840 -6.971 670 1HZ LYS 94 1HZ LYS 94 -8.103 -14.801 -6.972 671 2HZ LYS 94 2HZ LYS 94 -8.399 -14.283 -8.487 672 H LYS 95 H LYS 95 -10.698 -8.607 -8.786 673 HA LYS 95 HA LYS 95 -9.291 -6.818 -10.642 674 1HB LYS 95 1HB LYS 95 -11.377 -8.574 -11.158 675 2HB LYS 95 2HB LYS 95 -12.194 -7.036 -10.966 676 1HG LYS 95 1HG LYS 95 -11.023 -6.029 -12.755 677 2HG LYS 95 2HG LYS 95 -9.680 -7.148 -12.645 678 1HD LYS 95 1HD LYS 95 -12.233 -8.514 -13.230 679 2HD LYS 95 2HD LYS 95 -11.824 -7.318 -14.444 680 1HE LYS 95 1HE LYS 95 -9.375 -8.599 -13.992 681 2HE LYS 95 2HE LYS 95 -10.527 -9.911 -13.852 682 1HZ LYS 95 1HZ LYS 95 -10.554 -8.024 -16.141 683 2HZ LYS 95 2HZ LYS 95 -9.737 -9.432 -16.176 684 H ASP 96 H ASP 96 -10.645 -7.039 -7.567 685 HA ASP 96 HA ASP 96 -11.299 -4.198 -7.663 686 1HB ASP 96 1HB ASP 96 -12.815 -6.475 -6.659 687 2HB ASP 96 2HB ASP 96 -12.452 -5.392 -5.330 688 H LEU 97 H LEU 97 -8.946 -6.334 -6.870 689 HA LEU 97 HA LEU 97 -8.226 -4.869 -4.432 690 1HB LEU 97 1HB LEU 97 -7.990 -7.831 -4.961 691 2HB LEU 97 2HB LEU 97 -7.126 -7.006 -3.680 692 HG LEU 97 HG LEU 97 -10.105 -7.411 -3.960 693 1HD1 LEU 97 3HD1 LEU 97 -8.802 -9.245 -2.973 694 2HD1 LEU 97 1HD1 LEU 97 -8.162 -8.126 -1.746 695 3HD1 LEU 97 2HD1 LEU 97 -9.903 -8.496 -1.791 696 1HD2 LEU 97 1HD2 LEU 97 -8.658 -5.258 -2.540 697 2HD2 LEU 97 2HD2 LEU 97 -10.335 -5.330 -3.132 698 3HD2 LEU 97 3HD2 LEU 97 -9.899 -6.113 -1.594 699 H THR 98 H THR 98 -7.099 -6.886 -7.221 700 HA THR 98 HA THR 98 -4.603 -5.321 -7.152 701 HB THR 98 HB THR 98 -3.501 -7.301 -7.984 702 HG1 THR 98 HG1 THR 98 -6.237 -8.338 -8.215 703 1HG2 THR 98 2HG2 THR 98 -5.717 -8.232 -6.082 704 2HG2 THR 98 3HG2 THR 98 -4.253 -9.163 -6.478 705 3HG2 THR 98 1HG2 THR 98 -4.117 -7.626 -5.590 706 H GLY 99 H GLY 99 -7.533 -5.229 -8.554 707 1HA GLY 99 1HA GLY 99 -7.128 -5.341 -11.299 708 2HA GLY 99 2HA GLY 99 -8.311 -4.350 -10.469 709 H CYS 100 H CYS 100 -6.631 -3.743 -12.886 710 HA CYS 100 HA CYS 100 -4.766 -1.772 -11.921 711 1HB CYS 100 1HB CYS 100 -5.434 -2.994 -14.549 712 2HB CYS 100 2HB CYS 100 -4.786 -1.366 -14.571 713 H LYS 101 H LYS 101 -7.731 -1.891 -14.038 714 HA LYS 101 HA LYS 101 -8.321 0.834 -13.112 715 1HB LYS 101 1HB LYS 101 -7.528 0.971 -15.393 716 2HB LYS 101 2HB LYS 101 -8.611 -0.308 -15.904 717 1HG LYS 101 1HG LYS 101 -9.780 2.135 -14.555 718 2HG LYS 101 2HG LYS 101 -9.278 2.256 -16.229 719 1HD LYS 101 1HD LYS 101 -10.742 -0.198 -15.994 720 2HD LYS 101 2HD LYS 101 -11.667 1.017 -15.135 721 1HE LYS 101 1HE LYS 101 -12.473 1.302 -17.318 722 2HE LYS 101 2HE LYS 101 -11.211 2.517 -17.267 723 1HZ LYS 101 1HZ LYS 101 -9.953 1.344 -18.733 724 2HZ LYS 101 2HZ LYS 101 -10.307 -0.111 -18.093 725 H LYS 102 H LYS 102 -10.466 1.262 -12.542 726 HA LYS 102 HA LYS 102 -12.575 0.849 -12.011 727 1HB LYS 102 1HB LYS 102 -12.175 -0.894 -14.299 728 2HB LYS 102 2HB LYS 102 -13.294 -1.613 -13.159 729 1HG LYS 102 1HG LYS 102 -14.750 0.315 -13.212 730 2HG LYS 102 2HG LYS 102 -13.545 1.297 -14.022 731 1HD LYS 102 1HD LYS 102 -13.710 -0.129 -16.051 732 2HD LYS 102 2HD LYS 102 -14.855 -1.180 -15.242 733 1HE LYS 102 1HE LYS 102 -16.098 1.239 -14.872 734 2HE LYS 102 2HE LYS 102 -15.266 1.557 -16.381 735 1HZ LYS 102 1HZ LYS 102 -17.249 -0.572 -15.847 736 2HZ LYS 102 2HZ LYS 102 -17.310 0.585 -16.992 737 H SER 103 H SER 103 -10.427 0.163 -10.310 738 HA SER 103 HA SER 103 -11.507 -2.249 -9.074 739 1HB SER 103 1HB SER 103 -9.029 -1.968 -7.920 740 2HB SER 103 2HB SER 103 -9.368 -2.996 -9.298 741 HG SER 103 HG SER 103 -8.545 -0.225 -9.499 742 H LYS 104 H LYS 104 -10.432 -2.066 -6.527 743 HA LYS 104 HA LYS 104 -12.001 0.048 -5.427 744 1HB LYS 104 1HB LYS 104 -10.241 -2.086 -4.193 745 2HB LYS 104 2HB LYS 104 -11.148 -0.919 -3.253 746 1HG LYS 104 1HG LYS 104 -12.665 -2.405 -5.379 747 2HG LYS 104 2HG LYS 104 -12.165 -3.331 -3.978 748 1HD LYS 104 1HD LYS 104 -13.168 -0.960 -2.855 749 2HD LYS 104 2HD LYS 104 -14.250 -1.254 -4.202 750 1HE LYS 104 1HE LYS 104 -13.521 -3.434 -2.198 751 2HE LYS 104 2HE LYS 104 -14.882 -2.358 -1.954 752 1HZ LYS 104 1HZ LYS 104 -14.956 -3.431 -4.582 753 2HZ LYS 104 2HZ LYS 104 -14.862 -4.649 -3.506 754 H CYS 105 H CYS 105 -8.598 -0.510 -6.233 755 HA CYS 105 HA CYS 105 -7.713 1.690 -4.621 756 1HB CYS 105 1HB CYS 105 -6.247 0.013 -6.686 757 2HB CYS 105 2HB CYS 105 -5.503 1.233 -5.672 758 H HIS 106 H HIS 106 -7.581 0.912 -8.184 759 HA HIS 106 HA HIS 106 -7.705 3.783 -8.684 760 1HB HIS 106 1HB HIS 106 -6.874 1.480 -10.470 761 2HB HIS 106 2HB HIS 106 -6.930 3.159 -10.968 762 HD1 HIS 106 HD1 HIS 106 -5.484 4.723 -8.929 763 HD2 HIS 106 HD2 HIS 106 -4.297 0.821 -9.911 764 HE1 HIS 106 HE1 HIS 106 -3.040 4.520 -8.224 765 H GLU 107 H GLU 107 -9.370 4.721 -9.879 766 HA GLU 107 HA GLU 107 -11.438 2.857 -10.743 767 1HB GLU 107 1HB GLU 107 -11.795 5.480 -9.234 768 2HB GLU 107 2HB GLU 107 -13.114 4.651 -10.037 769 1HG GLU 107 1HG GLU 107 -12.416 2.556 -8.655 770 2HG GLU 107 2HG GLU 107 -11.435 3.652 -7.702 771 HHA HEC 108 HHA HEC 108 -0.891 6.582 7.473 772 HHB HEC 108 HHB HEC 108 -1.844 3.941 13.237 773 HHC HEC 108 HHC HEC 108 -2.606 -1.799 10.491 774 HHD HEC 108 HHD HEC 108 -1.181 0.785 4.754 775 1HMA HEC 108 1HMA HEC 108 -1.226 5.854 13.523 776 2HMA HEC 108 2HMA HEC 108 -0.575 7.333 12.778 777 3HMA HEC 108 3HMA HEC 108 -2.335 7.083 12.870 778 1HAA HEC 108 1HAA HEC 108 -0.725 8.010 8.785 779 2HAA HEC 108 2HAA HEC 108 -1.651 8.516 10.218 780 1HBA HEC 108 1HBA HEC 108 0.737 7.790 11.334 781 2HBA HEC 108 2HBA HEC 108 1.247 8.443 9.759 782 1HMB HEC 108 1HMB HEC 108 -2.303 0.937 15.123 783 2HMB HEC 108 2HMB HEC 108 -2.309 2.659 14.671 784 3HMB HEC 108 3HMB HEC 108 -3.831 1.735 14.678 785 HAB HEC 108 HAB HEC 108 -3.326 -1.929 12.343 786 1HBB HEC 108 1HBB HEC 108 -4.234 -1.526 14.924 787 2HBB HEC 108 2HBB HEC 108 -4.631 -0.001 14.096 788 3HBB HEC 108 3HBB HEC 108 -5.221 -1.549 13.443 789 1HMC HEC 108 1HMC HEC 108 -1.786 -3.724 7.966 790 2HMC HEC 108 2HMC HEC 108 -3.102 -3.164 9.026 791 3HMC HEC 108 3HMC HEC 108 -3.412 -3.448 7.297 792 HAC HEC 108 HAC HEC 108 -2.044 -1.101 4.406 793 1HBC HEC 108 1HBC HEC 108 -3.062 -3.103 3.945 794 2HBC HEC 108 2HBC HEC 108 -2.498 -3.869 5.449 795 3HBC HEC 108 3HBC HEC 108 -3.825 -2.684 5.497 796 1HMD HEC 108 1HMD HEC 108 0.184 2.174 3.493 797 2HMD HEC 108 2HMD HEC 108 -1.350 2.926 2.992 798 3HMD HEC 108 3HMD HEC 108 0.142 3.894 3.037 799 1HAD HEC 108 1HAD HEC 108 -0.526 6.804 5.509 800 2HAD HEC 108 2HAD HEC 108 0.882 6.003 4.773 801 1HBD HEC 108 1HBD HEC 108 -1.289 5.280 3.160 802 2HBD HEC 108 2HBD HEC 108 -1.531 7.002 3.540 803 HHA HEC 109 HHA HEC 109 11.715 -2.225 1.667 804 HHB HEC 109 HHB HEC 109 5.346 -1.591 1.290 805 HHC HEC 109 HHC HEC 109 5.597 3.320 5.404 806 HHD HEC 109 HHD HEC 109 12.065 3.307 4.889 807 1HMA HEC 109 1HMA HEC 109 5.936 -3.007 -0.093 808 2HMA HEC 109 2HMA HEC 109 7.290 -3.912 -0.810 809 3HMA HEC 109 3HMA HEC 109 6.601 -4.427 0.748 810 1HAA HEC 109 1HAA HEC 109 11.000 -3.854 0.730 811 2HAA HEC 109 2HAA HEC 109 9.554 -4.801 0.310 812 1HBA HEC 109 1HBA HEC 109 9.338 -3.462 -1.770 813 2HBA HEC 109 2HBA HEC 109 10.865 -2.644 -1.359 814 1HMB HEC 109 1HMB HEC 109 2.439 0.352 2.225 815 2HMB HEC 109 2HMB HEC 109 3.468 -0.952 1.585 816 3HMB HEC 109 3HMB HEC 109 2.814 -1.063 3.237 817 HAB HEC 109 HAB HEC 109 3.701 2.763 5.262 818 1HBB HEC 109 1HBB HEC 109 1.574 0.869 4.337 819 2HBB HEC 109 2HBB HEC 109 2.757 0.340 5.557 820 3HBB HEC 109 3HBB HEC 109 1.728 1.758 5.872 821 1HMC HEC 109 1HMC HEC 109 7.970 6.078 6.738 822 2HMC HEC 109 2HMC HEC 109 6.518 5.395 5.968 823 3HMC HEC 109 3HMC HEC 109 7.090 4.745 7.523 824 HAC HEC 109 HAC HEC 109 11.594 4.856 5.985 825 1HBC HEC 109 1HBC HEC 109 11.249 6.022 8.127 826 2HBC HEC 109 2HBC HEC 109 9.559 5.464 8.142 827 3HBC HEC 109 3HBC HEC 109 10.887 4.282 8.227 828 1HMD HEC 109 1HMD HEC 109 14.021 2.909 3.889 829 2HMD HEC 109 2HMD HEC 109 14.392 1.612 5.049 830 3HMD HEC 109 3HMD HEC 109 15.030 1.531 3.389 831 1HAD HEC 109 1HAD HEC 109 13.671 -1.892 2.139 832 2HAD HEC 109 2HAD HEC 109 14.363 -0.440 1.375 833 1HBD HEC 109 1HBD HEC 109 14.987 -0.463 4.188 834 2HBD HEC 109 2HBD HEC 109 15.462 -2.003 3.433 835 HHA HEC 110 HHA HEC 110 -10.208 -4.725 0.769 836 HHB HEC 110 HHB HEC 110 -6.373 0.144 -0.869 837 HHC HEC 110 HHC HEC 110 -1.450 -2.795 1.988 838 HHD HEC 110 HHD HEC 110 -5.167 -7.910 3.127 839 1HMA HEC 110 1HMA HEC 110 -8.614 0.774 -0.975 840 2HMA HEC 110 2HMA HEC 110 -8.626 -0.154 -2.493 841 3HMA HEC 110 3HMA HEC 110 -10.116 -0.001 -1.531 842 1HAA HEC 110 1HAA HEC 110 -11.166 -2.093 -1.648 843 2HAA HEC 110 2HAA HEC 110 -11.188 -3.593 -0.691 844 1HBA HEC 110 1HBA HEC 110 -12.853 -1.760 -0.077 845 2HBA HEC 110 2HBA HEC 110 -11.902 -2.482 1.244 846 1HMB HEC 110 1HMB HEC 110 -4.212 0.878 -1.862 847 2HMB HEC 110 2HMB HEC 110 -4.395 1.731 -0.310 848 3HMB HEC 110 3HMB HEC 110 -2.770 1.386 -0.950 849 HAB HEC 110 HAB HEC 110 -0.753 -1.110 1.179 850 1HBB HEC 110 1HBB HEC 110 -0.538 1.504 0.186 851 2HBB HEC 110 2HBB HEC 110 -2.102 1.435 1.033 852 3HBB HEC 110 3HBB HEC 110 -0.606 0.983 1.887 853 1HMC HEC 110 1HMC HEC 110 -0.075 -6.270 2.368 854 2HMC HEC 110 2HMC HEC 110 -0.175 -4.508 2.133 855 3HMC HEC 110 3HMC HEC 110 -0.323 -5.199 3.767 856 HAC HEC 110 HAC HEC 110 -3.239 -8.131 4.156 857 1HBC HEC 110 1HBC HEC 110 -1.130 -8.587 4.979 858 2HBC HEC 110 2HBC HEC 110 -0.306 -7.831 3.594 859 3HBC HEC 110 3HBC HEC 110 -1.101 -6.814 4.819 860 1HMD HEC 110 1HMD HEC 110 -8.708 -9.243 3.041 861 2HMD HEC 110 2HMD HEC 110 -6.942 -9.330 2.839 862 3HMD HEC 110 3HMD HEC 110 -7.635 -8.583 4.298 863 1HAD HEC 110 1HAD HEC 110 -10.386 -8.076 2.603 864 2HAD HEC 110 2HAD HEC 110 -10.885 -6.371 2.498 865 1HBD HEC 110 1HBD HEC 110 -11.572 -6.621 0.402 866 2HBD HEC 110 2HBD HEC 110 -10.048 -7.401 -0.087 867 HHA HEC 111 HHA HEC 111 0.438 5.569 -7.733 868 HHB HEC 111 HHB HEC 111 -0.543 2.054 -13.006 869 HHC HEC 111 HHC HEC 111 -3.216 -2.560 -9.450 870 HHD HEC 111 HHD HEC 111 -2.980 1.367 -4.307 871 1HMA HEC 111 1HMA HEC 111 -0.064 4.449 -13.536 872 2HMA HEC 111 2HMA HEC 111 1.294 5.412 -12.905 873 3HMA HEC 111 3HMA HEC 111 1.505 3.672 -13.215 874 1HAA HEC 111 1HAA HEC 111 0.612 6.986 -10.716 875 2HAA HEC 111 2HAA HEC 111 1.391 6.457 -9.205 876 1HBA HEC 111 1HBA HEC 111 3.374 6.425 -10.190 877 2HBA HEC 111 2HBA HEC 111 2.779 5.336 -11.466 878 1HMB HEC 111 1HMB HEC 111 -1.795 -0.050 -14.456 879 2HMB HEC 111 2HMB HEC 111 -0.091 0.006 -13.943 880 3HMB HEC 111 3HMB HEC 111 -0.919 -1.561 -14.111 881 HAB HEC 111 HAB HEC 111 -3.359 -3.091 -11.527 882 1HBB HEC 111 1HBB HEC 111 -1.646 -4.402 -10.924 883 2HBB HEC 111 2HBB HEC 111 -1.339 -4.511 -12.674 884 3HBB HEC 111 3HBB HEC 111 -0.431 -3.345 -11.681 885 1HMC HEC 111 1HMC HEC 111 -4.222 -3.598 -6.288 886 2HMC HEC 111 2HMC HEC 111 -5.676 -2.714 -6.809 887 3HMC HEC 111 3HMC HEC 111 -4.497 -3.277 -8.017 888 HAC HEC 111 HAC HEC 111 -3.920 -0.292 -3.739 889 1HBC HEC 111 1HBC HEC 111 -3.275 -2.822 -4.283 890 2HBC HEC 111 2HBC HEC 111 -4.131 -2.342 -2.798 891 3HBC HEC 111 3HBC HEC 111 -5.041 -3.011 -4.174 892 1HMD HEC 111 1HMD HEC 111 -1.071 4.338 -2.846 893 2HMD HEC 111 2HMD HEC 111 -2.671 3.607 -3.120 894 3HMD HEC 111 3HMD HEC 111 -1.248 2.567 -2.873 895 1HAD HEC 111 1HAD HEC 111 0.623 5.384 -4.109 896 2HAD HEC 111 2HAD HEC 111 0.766 5.968 -5.785 897 1HBD HEC 111 1HBD HEC 111 -1.513 6.979 -5.540 898 2HBD HEC 111 2HBD HEC 111 -1.456 6.541 -3.816 No H/Q in entry = 898 Start of MODEL 18 1 1H ALA 1 1H ALA 1 -0.886 1.687 22.907 2 2H ALA 1 2H ALA 1 0.580 0.922 22.817 3 HA ALA 1 HA ALA 1 1.131 3.031 21.415 4 1HB ALA 1 1HB ALA 1 -0.045 0.354 20.608 5 2HB ALA 1 2HB ALA 1 0.548 1.526 19.406 6 3HB ALA 1 3HB ALA 1 1.662 0.858 20.622 7 HA PRO 2 HA PRO 2 -2.463 5.098 20.188 8 1HB PRO 2 1HB PRO 2 -1.779 6.122 17.749 9 2HB PRO 2 2HB PRO 2 -1.264 6.833 19.265 10 1HG PRO 2 1HG PRO 2 0.306 5.226 17.344 11 2HG PRO 2 2HG PRO 2 0.880 6.285 18.617 12 1HD PRO 2 1HD PRO 2 0.807 3.418 18.672 13 2HD PRO 2 2HD PRO 2 1.271 4.480 19.986 14 H LYS 3 H LYS 3 -4.202 5.431 18.461 15 HA LYS 3 HA LYS 3 -4.675 2.747 17.400 16 1HB LYS 3 1HB LYS 3 -6.996 3.260 17.460 17 2HB LYS 3 2HB LYS 3 -6.319 3.759 18.997 18 1HG LYS 3 1HG LYS 3 -6.025 6.111 17.805 19 2HG LYS 3 2HG LYS 3 -7.213 5.491 16.676 20 1HD LYS 3 1HD LYS 3 -8.766 6.259 18.162 21 2HD LYS 3 2HD LYS 3 -8.382 4.826 19.095 22 1HE LYS 3 1HE LYS 3 -7.028 5.998 20.615 23 2HE LYS 3 2HE LYS 3 -6.620 7.248 19.457 24 1HZ LYS 3 1HZ LYS 3 -8.162 8.208 20.962 25 2HZ LYS 3 2HZ LYS 3 -9.045 7.932 19.622 26 H ALA 4 H ALA 4 -6.134 2.889 15.271 27 HA ALA 4 HA ALA 4 -4.438 3.991 13.309 28 1HB ALA 4 3HB ALA 4 -5.969 1.936 13.184 29 2HB ALA 4 1HB ALA 4 -7.309 3.081 12.934 30 3HB ALA 4 2HB ALA 4 -5.968 3.013 11.766 31 HA PRO 5 HA PRO 5 -6.129 7.945 12.860 32 1HB PRO 5 1HB PRO 5 -5.581 8.506 10.242 33 2HB PRO 5 2HB PRO 5 -4.386 8.628 11.519 34 1HG PRO 5 1HG PRO 5 -4.672 6.545 9.441 35 2HG PRO 5 2HG PRO 5 -3.278 6.919 10.436 36 1HD PRO 5 1HD PRO 5 -5.089 4.721 10.776 37 2HD PRO 5 2HD PRO 5 -3.766 5.163 11.837 38 H ALA 6 H ALA 6 -7.623 9.417 11.513 39 HA ALA 6 HA ALA 6 -10.093 8.133 11.468 40 1HB ALA 6 1HB ALA 6 -8.956 10.768 10.617 41 2HB ALA 6 2HB ALA 6 -10.551 10.319 9.969 42 3HB ALA 6 3HB ALA 6 -10.299 10.408 11.728 43 H ASP 7 H ASP 7 -11.430 7.394 9.752 44 HA ASP 7 HA ASP 7 -10.014 6.114 7.718 45 1HB ASP 7 1HB ASP 7 -12.483 5.844 6.797 46 2HB ASP 7 2HB ASP 7 -12.000 5.017 8.265 47 H GLY 8 H GLY 8 -10.099 6.553 5.377 48 1HA GLY 8 1HA GLY 8 -10.832 7.838 3.537 49 2HA GLY 8 2HA GLY 8 -11.182 9.181 4.607 50 H LEU 9 H LEU 9 -8.204 7.264 4.987 51 HA LEU 9 HA LEU 9 -6.636 9.622 4.654 52 1HB LEU 9 1HB LEU 9 -5.985 8.115 6.338 53 2HB LEU 9 2HB LEU 9 -6.044 6.736 5.257 54 HG LEU 9 HG LEU 9 -3.753 7.746 5.991 55 1HD1 LEU 9 2HD1 LEU 9 -4.636 6.252 3.756 56 2HD1 LEU 9 3HD1 LEU 9 -3.399 7.389 3.168 57 3HD1 LEU 9 1HD1 LEU 9 -3.021 6.275 4.504 58 1HD2 LEU 9 1HD2 LEU 9 -4.569 10.066 5.143 59 2HD2 LEU 9 2HD2 LEU 9 -2.887 9.563 4.851 60 3HD2 LEU 9 3HD2 LEU 9 -4.089 9.454 3.542 61 H LYS 10 H LYS 10 -6.576 10.460 2.605 62 HA LYS 10 HA LYS 10 -6.223 8.608 0.393 63 1HB LYS 10 1HB LYS 10 -7.903 10.210 -0.018 64 2HB LYS 10 2HB LYS 10 -6.940 11.530 0.617 65 1HG LYS 10 1HG LYS 10 -5.267 11.054 -1.296 66 2HG LYS 10 2HG LYS 10 -6.486 9.998 -1.979 67 1HD LYS 10 1HD LYS 10 -8.074 12.123 -1.651 68 2HD LYS 10 2HD LYS 10 -6.557 13.001 -1.636 69 1HE LYS 10 1HE LYS 10 -5.947 12.108 -3.843 70 2HE LYS 10 2HE LYS 10 -7.337 11.041 -3.845 71 1HZ LYS 10 1HZ LYS 10 -8.035 12.893 -5.073 72 2HZ LYS 10 2HZ LYS 10 -8.681 13.212 -3.612 73 H MET 11 H MET 11 -4.438 8.723 -1.074 74 HA MET 11 HA MET 11 -2.200 10.282 -0.060 75 1HB MET 11 1HB MET 11 -0.857 8.107 -0.914 76 2HB MET 11 2HB MET 11 -1.509 8.169 0.711 77 1HG MET 11 1HG MET 11 -3.173 6.622 0.259 78 2HG MET 11 2HG MET 11 -3.408 7.189 -1.382 79 1HE MET 11 2HE MET 11 -0.940 5.292 1.008 80 2HE MET 11 3HE MET 11 0.283 4.709 -0.147 81 3HE MET 11 1HE MET 11 0.100 6.454 0.151 82 H GLU 12 H GLU 12 -2.090 11.797 -1.710 83 HA GLU 12 HA GLU 12 -2.119 10.722 -4.414 84 1HB GLU 12 1HB GLU 12 -3.766 12.557 -3.742 85 2HB GLU 12 2HB GLU 12 -2.396 13.636 -3.567 86 1HG GLU 12 1HG GLU 12 -2.694 12.082 -6.144 87 2HG GLU 12 2HG GLU 12 -3.727 13.472 -5.879 88 H ALA 13 H ALA 13 0.173 9.944 -3.725 89 HA ALA 13 HA ALA 13 2.129 12.090 -3.713 90 1HB ALA 13 1HB ALA 13 2.068 9.901 -2.250 91 2HB ALA 13 2HB ALA 13 2.767 9.142 -3.700 92 3HB ALA 13 3HB ALA 13 3.617 10.486 -2.902 93 H THR 14 H THR 14 0.468 10.004 -5.926 94 HA THR 14 HA THR 14 2.449 10.695 -7.991 95 HB THR 14 HB THR 14 2.334 8.479 -8.856 96 HG1 THR 14 HG1 THR 14 -0.072 8.476 -7.188 97 1HG2 THR 14 2HG2 THR 14 2.941 8.710 -6.124 98 2HG2 THR 14 3HG2 THR 14 1.709 7.426 -6.163 99 3HG2 THR 14 1HG2 THR 14 3.202 7.256 -7.117 100 H LYS 15 H LYS 15 1.261 10.144 -10.271 101 HA LYS 15 HA LYS 15 -0.710 12.136 -10.451 102 1HB LYS 15 1HB LYS 15 0.920 11.467 -12.236 103 2HB LYS 15 2HB LYS 15 -0.002 9.998 -12.480 104 1HG LYS 15 1HG LYS 15 -2.042 11.787 -12.634 105 2HG LYS 15 2HG LYS 15 -0.734 12.835 -13.146 106 1HD LYS 15 1HD LYS 15 -0.200 11.460 -15.027 107 2HD LYS 15 2HD LYS 15 -1.058 10.077 -14.377 108 1HE LYS 15 1HE LYS 15 -2.534 10.899 -16.042 109 2HE LYS 15 2HE LYS 15 -3.208 11.539 -14.556 110 1HZ LYS 15 1HZ LYS 15 -2.667 13.087 -16.633 111 2HZ LYS 15 2HZ LYS 15 -2.578 13.657 -15.111 112 H GLN 16 H GLN 16 -0.849 8.919 -9.313 113 HA GLN 16 HA GLN 16 -3.728 8.935 -9.786 114 1HB GLN 16 1HB GLN 16 -1.998 6.440 -9.518 115 2HB GLN 16 2HB GLN 16 -3.701 6.498 -9.926 116 1HG GLN 16 1HG GLN 16 -2.024 8.165 -11.713 117 2HG GLN 16 2HG GLN 16 -1.593 6.467 -11.755 118 1HE2 GLN 16 2HE2 GLN 16 -4.897 5.362 -12.798 119 2HE2 GLN 16 1HE2 GLN 16 -3.676 5.005 -11.622 120 HA PRO 17 HA PRO 17 -3.324 9.033 -5.363 121 1HB PRO 17 1HB PRO 17 -5.709 10.268 -4.862 122 2HB PRO 17 2HB PRO 17 -4.218 11.143 -5.144 123 1HG PRO 17 1HG PRO 17 -6.519 10.768 -6.962 124 2HG PRO 17 2HG PRO 17 -5.237 11.959 -7.046 125 1HD PRO 17 1HD PRO 17 -5.491 9.594 -8.649 126 2HD PRO 17 2HD PRO 17 -4.151 10.724 -8.653 127 H VAL 18 H VAL 18 -4.323 8.000 -3.523 128 HA VAL 18 HA VAL 18 -6.461 6.187 -4.326 129 HB VAL 18 HB VAL 18 -3.759 5.402 -3.242 130 1HG1 VAL 18 2HG1 VAL 18 -5.464 4.334 -1.838 131 2HG1 VAL 18 3HG1 VAL 18 -6.282 3.711 -3.291 132 3HG1 VAL 18 1HG1 VAL 18 -4.648 3.140 -2.876 133 1HG2 VAL 18 1HG2 VAL 18 -3.969 5.490 -5.681 134 2HG2 VAL 18 2HG2 VAL 18 -3.788 3.811 -5.119 135 3HG2 VAL 18 3HG2 VAL 18 -5.388 4.418 -5.610 136 H VAL 19 H VAL 19 -7.638 5.300 -2.455 137 HA VAL 19 HA VAL 19 -7.189 6.924 -0.046 138 HB VAL 19 HB VAL 19 -9.731 6.219 -1.502 139 1HG1 VAL 19 2HG1 VAL 19 -10.066 5.662 0.865 140 2HG1 VAL 19 3HG1 VAL 19 -9.487 7.279 1.334 141 3HG1 VAL 19 1HG1 VAL 19 -10.997 7.108 0.407 142 1HG2 VAL 19 1HG2 VAL 19 -8.118 8.460 -1.589 143 2HG2 VAL 19 2HG2 VAL 19 -9.834 8.392 -2.056 144 3HG2 VAL 19 3HG2 VAL 19 -9.377 8.923 -0.419 145 H PHE 20 H PHE 20 -6.478 5.637 1.568 146 HA PHE 20 HA PHE 20 -7.279 2.823 1.503 147 1HB PHE 20 1HB PHE 20 -4.848 3.456 1.622 148 2HB PHE 20 2HB PHE 20 -5.169 4.509 2.986 149 HD1 PHE 20 HD2 PHE 20 -5.045 0.957 1.911 150 HD2 PHE 20 HD1 PHE 20 -5.242 3.661 5.220 151 HE1 PHE 20 HE2 PHE 20 -4.557 -0.956 3.512 152 HE2 PHE 20 HE1 PHE 20 -4.753 1.739 6.811 153 HZ PHE 20 HZ PHE 20 -4.397 -0.581 5.835 154 H ASN 21 H ASN 21 -8.119 1.769 3.390 155 HA ASN 21 HA ASN 21 -9.180 3.668 5.333 156 1HB ASN 21 1HB ASN 21 -10.472 1.080 4.319 157 2HB ASN 21 2HB ASN 21 -11.154 2.122 5.552 158 1HD2 ASN 21 2HD2 ASN 21 -12.181 4.728 3.387 159 2HD2 ASN 21 1HD2 ASN 21 -11.676 4.324 4.994 160 H HIS 22 H HIS 22 -8.680 3.139 7.490 161 HA HIS 22 HA HIS 22 -7.053 0.805 7.895 162 1HB HIS 22 1HB HIS 22 -7.751 3.261 9.458 163 2HB HIS 22 2HB HIS 22 -7.177 1.856 10.333 164 HD1 HIS 22 HD1 HIS 22 -6.053 4.565 8.007 165 HD2 HIS 22 HD2 HIS 22 -4.459 1.129 9.810 166 HE1 HIS 22 HE1 HIS 22 -3.524 4.704 7.700 167 H SER 23 H SER 23 -10.394 1.800 8.275 168 HA SER 23 HA SER 23 -10.984 -0.081 10.302 169 1HB SER 23 1HB SER 23 -13.370 0.488 9.732 170 2HB SER 23 2HB SER 23 -12.378 1.887 10.090 171 HG SER 23 HG SER 23 -13.651 2.263 8.197 172 H THR 24 H THR 24 -10.024 -0.491 7.141 173 HA THR 24 HA THR 24 -11.823 -2.768 6.674 174 HB THR 24 HB THR 24 -10.035 -1.083 4.847 175 HG1 THR 24 HG1 THR 24 -12.016 -0.053 5.140 176 1HG2 THR 24 1HG2 THR 24 -11.134 -3.783 4.480 177 2HG2 THR 24 2HG2 THR 24 -11.880 -2.630 3.348 178 3HG2 THR 24 3HG2 THR 24 -10.112 -2.833 3.374 179 H HIS 25 H HIS 25 -8.441 -1.783 7.195 180 HA HIS 25 HA HIS 25 -7.672 -4.582 6.890 181 1HB HIS 25 1HB HIS 25 -5.968 -2.081 7.082 182 2HB HIS 25 2HB HIS 25 -5.358 -3.711 6.875 183 HD1 HIS 25 HD1 HIS 25 -7.506 -1.143 5.037 184 HD2 HIS 25 HD2 HIS 25 -5.240 -4.586 4.260 185 HE1 HIS 25 HE1 HIS 25 -7.410 -1.377 2.498 186 H LYS 26 H LYS 26 -9.316 -3.811 9.126 187 HA LYS 26 HA LYS 26 -7.703 -3.285 11.386 188 1HB LYS 26 1HB LYS 26 -10.471 -4.515 11.272 189 2HB LYS 26 2HB LYS 26 -9.719 -3.747 12.655 190 1HG LYS 26 1HG LYS 26 -9.603 -1.588 11.408 191 2HG LYS 26 2HG LYS 26 -10.324 -2.351 10.005 192 1HD LYS 26 1HD LYS 26 -12.252 -1.485 10.951 193 2HD LYS 26 2HD LYS 26 -12.228 -3.029 11.780 194 1HE LYS 26 1HE LYS 26 -11.925 -2.033 13.802 195 2HE LYS 26 2HE LYS 26 -10.561 -1.105 13.214 196 1HZ LYS 26 1HZ LYS 26 -12.145 0.518 13.700 197 2HZ LYS 26 2HZ LYS 26 -12.388 0.335 12.100 198 H SER 27 H SER 27 -8.877 -6.248 9.737 199 HA SER 27 HA SER 27 -7.970 -7.946 11.792 200 1HB SER 27 1HB SER 27 -9.413 -8.172 9.308 201 2HB SER 27 2HB SER 27 -8.094 -9.326 9.265 202 HG SER 27 HG SER 27 -10.290 -9.912 10.329 203 H VAL 28 H VAL 28 -6.364 -6.057 9.453 204 HA VAL 28 HA VAL 28 -4.192 -7.944 9.063 205 HB VAL 28 HB VAL 28 -4.551 -5.104 8.089 206 1HG1 VAL 28 1HG1 VAL 28 -2.205 -6.035 8.143 207 2HG1 VAL 28 2HG1 VAL 28 -2.745 -7.277 6.988 208 3HG1 VAL 28 3HG1 VAL 28 -2.793 -5.556 6.532 209 1HG2 VAL 28 1HG2 VAL 28 -6.186 -7.155 7.407 210 2HG2 VAL 28 2HG2 VAL 28 -5.749 -5.827 6.305 211 3HG2 VAL 28 3HG2 VAL 28 -4.885 -7.380 6.214 212 H LYS 29 H LYS 29 -2.117 -7.716 9.941 213 HA LYS 29 HA LYS 29 -2.030 -6.323 12.419 214 1HB LYS 29 1HB LYS 29 -0.607 -8.432 11.116 215 2HB LYS 29 2HB LYS 29 0.560 -7.215 11.591 216 1HG LYS 29 1HG LYS 29 0.157 -7.499 13.858 217 2HG LYS 29 2HG LYS 29 -1.542 -7.861 13.625 218 1HD LYS 29 1HD LYS 29 -0.513 -10.059 12.422 219 2HD LYS 29 2HD LYS 29 0.831 -9.707 13.491 220 1HE LYS 29 1HE LYS 29 -2.033 -9.830 14.522 221 2HE LYS 29 2HE LYS 29 -1.041 -11.269 14.396 222 1HZ LYS 29 1HZ LYS 29 0.648 -9.716 15.701 223 2HZ LYS 29 2HZ LYS 29 -0.723 -8.998 16.207 224 H CYS 30 H CYS 30 -1.123 -4.363 12.934 225 HA CYS 30 HA CYS 30 -0.847 -2.470 10.957 226 1HB CYS 30 1HB CYS 30 0.567 -2.266 13.606 227 2HB CYS 30 2HB CYS 30 -0.131 -0.986 12.632 228 H GLY 31 H GLY 31 1.500 -4.700 12.504 229 1HA GLY 31 1HA GLY 31 3.835 -3.492 11.401 230 2HA GLY 31 2HA GLY 31 3.697 -5.074 12.143 231 H ASP 32 H ASP 32 1.242 -5.089 9.909 232 HA ASP 32 HA ASP 32 2.773 -6.705 8.154 233 1HB ASP 32 1HB ASP 32 0.343 -7.090 8.830 234 2HB ASP 32 2HB ASP 32 -0.096 -5.705 7.851 235 H CYS 33 H CYS 33 1.364 -3.416 8.250 236 HA CYS 33 HA CYS 33 2.231 -2.981 5.494 237 1HB CYS 33 1HB CYS 33 0.073 -1.815 7.187 238 2HB CYS 33 2HB CYS 33 0.877 -0.721 6.079 239 H HIS 34 H HIS 34 2.169 -1.436 8.793 240 HA HIS 34 HA HIS 34 4.248 0.373 8.063 241 1HB HIS 34 1HB HIS 34 2.997 -0.260 10.751 242 2HB HIS 34 2HB HIS 34 4.109 1.059 10.441 243 HD1 HIS 34 HD1 HIS 34 3.222 3.025 8.850 244 HD2 HIS 34 HD2 HIS 34 0.343 0.225 10.062 245 HE1 HIS 34 HE1 HIS 34 0.950 4.082 8.370 246 H HIS 35 H HIS 35 5.467 -1.781 7.300 247 HA HIS 35 HA HIS 35 6.575 -3.540 9.019 248 1HB HIS 35 1HB HIS 35 8.363 -3.807 7.408 249 2HB HIS 35 2HB HIS 35 6.828 -3.606 6.588 250 HD1 HIS 35 HD1 HIS 35 9.904 -1.525 7.518 251 HD2 HIS 35 HD2 HIS 35 6.805 -1.617 4.693 252 HE1 HIS 35 HE1 HIS 35 10.431 0.305 5.820 253 HA PRO 36 HA PRO 36 9.223 -1.298 11.602 254 1HB PRO 36 1HB PRO 36 10.935 -3.258 12.437 255 2HB PRO 36 2HB PRO 36 9.334 -3.031 13.114 256 1HG PRO 36 1HG PRO 36 10.274 -5.110 11.234 257 2HG PRO 36 2HG PRO 36 8.837 -5.106 12.238 258 1HD PRO 36 1HD PRO 36 8.961 -4.609 9.415 259 2HD PRO 36 2HD PRO 36 7.544 -4.490 10.439 260 H VAL 37 H VAL 37 10.638 0.258 11.155 261 HA VAL 37 HA VAL 37 12.653 -0.489 9.167 262 HB VAL 37 HB VAL 37 11.540 2.171 10.072 263 1HG1 VAL 37 2HG1 VAL 37 14.072 2.020 9.409 264 2HG1 VAL 37 3HG1 VAL 37 13.432 1.875 7.754 265 3HG1 VAL 37 1HG1 VAL 37 13.050 3.311 8.734 266 1HG2 VAL 37 1HG2 VAL 37 11.111 0.394 7.694 267 2HG2 VAL 37 2HG2 VAL 37 9.935 1.331 8.646 268 3HG2 VAL 37 3HG2 VAL 37 11.004 2.158 7.487 269 H ASN 38 H ASN 38 14.553 -1.150 10.026 270 HA ASN 38 HA ASN 38 16.341 -1.208 11.249 271 1HB ASN 38 1HB ASN 38 15.503 1.661 11.612 272 2HB ASN 38 2HB ASN 38 16.694 1.058 12.746 273 1HD2 ASN 38 2HD2 ASN 38 19.079 2.105 10.410 274 2HD2 ASN 38 1HD2 ASN 38 18.280 2.396 11.919 275 H GLY 39 H GLY 39 13.387 -1.574 12.356 276 1HA GLY 39 1HA GLY 39 12.908 -2.801 14.300 277 2HA GLY 39 2HA GLY 39 14.215 -1.995 15.145 278 H LYS 40 H LYS 40 12.737 0.399 13.313 279 HA LYS 40 HA LYS 40 11.251 1.297 15.649 280 1HB LYS 40 1HB LYS 40 11.724 3.413 14.997 281 2HB LYS 40 2HB LYS 40 13.044 2.616 14.165 282 1HG LYS 40 1HG LYS 40 11.677 2.496 12.082 283 2HG LYS 40 2HG LYS 40 10.330 3.250 12.910 284 1HD LYS 40 1HD LYS 40 11.173 5.266 12.301 285 2HD LYS 40 2HD LYS 40 12.501 4.987 13.411 286 1HE LYS 40 1HE LYS 40 12.607 3.762 10.641 287 2HE LYS 40 2HE LYS 40 12.984 5.462 10.839 288 1HZ LYS 40 1HZ LYS 40 14.642 4.773 12.555 289 2HZ LYS 40 2HZ LYS 40 14.352 3.208 12.207 290 H GLU 41 H GLU 41 9.047 2.072 15.474 291 HA GLU 41 HA GLU 41 7.594 1.826 13.125 292 1HB GLU 41 1HB GLU 41 8.095 -0.687 14.243 293 2HB GLU 41 2HB GLU 41 6.497 -0.301 14.851 294 1HG GLU 41 1HG GLU 41 7.362 -0.281 11.922 295 2HG GLU 41 2HG GLU 41 6.323 -1.468 12.684 296 H ASP 42 H ASP 42 6.429 3.658 13.595 297 HA ASP 42 HA ASP 42 4.734 3.489 15.925 298 1HB ASP 42 1HB ASP 42 6.801 5.622 15.369 299 2HB ASP 42 2HB ASP 42 5.296 6.106 16.126 300 H TYR 43 H TYR 43 3.898 3.016 13.332 301 HA TYR 43 HA TYR 43 2.603 3.689 11.655 302 1HB TYR 43 1HB TYR 43 1.755 5.825 13.703 303 2HB TYR 43 2HB TYR 43 0.745 5.166 12.432 304 HD1 TYR 43 HD1 TYR 43 1.889 2.226 13.035 305 HD2 TYR 43 HD2 TYR 43 0.021 5.284 15.372 306 HE1 TYR 43 HE1 TYR 43 1.010 0.467 14.648 307 HE2 TYR 43 HE2 TYR 43 -0.851 3.516 16.977 308 HH TYR 43 HH TYR 43 0.207 0.206 16.759 309 H ARG 44 H ARG 44 3.869 4.536 10.021 310 HA ARG 44 HA ARG 44 4.073 7.429 10.077 311 1HB ARG 44 1HB ARG 44 6.305 6.468 10.683 312 2HB ARG 44 2HB ARG 44 6.299 5.512 9.215 313 1HG ARG 44 1HG ARG 44 6.269 7.569 7.833 314 2HG ARG 44 2HG ARG 44 6.161 8.564 9.272 315 1HD ARG 44 1HD ARG 44 8.438 6.649 9.312 316 2HD ARG 44 2HD ARG 44 8.530 7.829 8.019 317 HE ARG 44 HE ARG 44 7.829 9.052 10.574 318 1HH1 ARG 44 2HH2 ARG 44 10.545 7.914 8.604 319 2HH1 ARG 44 1HH2 ARG 44 11.700 8.948 9.377 320 HH2 ARG 44 HH1 ARG 44 10.976 10.411 11.132 321 H LYS 45 H LYS 45 3.929 8.428 7.960 322 HA LYS 45 HA LYS 45 2.398 6.979 6.108 323 1HB LYS 45 1HB LYS 45 3.780 9.668 6.006 324 2HB LYS 45 2HB LYS 45 2.824 9.049 4.675 325 1HG LYS 45 1HG LYS 45 1.108 10.109 5.783 326 2HG LYS 45 2HG LYS 45 1.050 8.608 6.685 327 1HD LYS 45 1HD LYS 45 2.267 9.522 8.529 328 2HD LYS 45 2HD LYS 45 2.877 10.863 7.581 329 1HE LYS 45 1HE LYS 45 -0.012 10.954 7.495 330 2HE LYS 45 2HE LYS 45 0.471 10.751 9.167 331 1HZ LYS 45 1HZ LYS 45 1.770 12.787 7.456 332 2HZ LYS 45 2HZ LYS 45 0.394 13.122 8.260 333 H CYS 46 H CYS 46 2.914 5.886 4.235 334 HA CYS 46 HA CYS 46 5.476 4.828 4.040 335 1HB CYS 46 1HB CYS 46 3.612 4.919 1.692 336 2HB CYS 46 2HB CYS 46 4.716 3.651 2.186 337 H GLY 47 H GLY 47 3.721 7.314 2.042 338 1HA GLY 47 1HA GLY 47 6.056 7.955 0.504 339 2HA GLY 47 2HA GLY 47 4.503 8.766 0.487 340 H THR 48 H THR 48 6.990 8.158 3.076 341 HA THR 48 HA THR 48 6.720 10.962 3.856 342 HB THR 48 HB THR 48 7.675 8.383 5.138 343 HG1 THR 48 HG1 THR 48 6.095 9.245 6.671 344 1HG2 THR 48 3HG2 THR 48 8.480 11.224 5.839 345 2HG2 THR 48 1HG2 THR 48 8.135 10.069 7.147 346 3HG2 THR 48 2HG2 THR 48 9.433 9.728 5.979 347 H ALA 49 H ALA 49 8.266 12.489 3.606 348 HA ALA 49 HA ALA 49 10.224 12.144 1.694 349 1HB ALA 49 2HB ALA 49 9.229 14.299 2.523 350 2HB ALA 49 3HB ALA 49 10.215 14.135 3.996 351 3HB ALA 49 1HB ALA 49 11.006 14.326 2.413 352 H GLY 50 H GLY 50 11.748 10.542 1.832 353 1HA GLY 50 1HA GLY 50 14.018 10.297 2.728 354 2HA GLY 50 2HA GLY 50 13.330 10.449 4.332 355 H CYS 51 H CYS 51 10.901 8.859 2.836 356 HA CYS 51 HA CYS 51 12.063 6.263 3.520 357 1HB CYS 51 1HB CYS 51 9.185 7.220 3.569 358 2HB CYS 51 2HB CYS 51 9.653 5.544 3.776 359 H HIS 52 H HIS 52 9.001 6.530 1.794 360 HA HIS 52 HA HIS 52 10.309 5.381 -0.540 361 1HB HIS 52 1HB HIS 52 7.427 5.407 0.386 362 2HB HIS 52 2HB HIS 52 7.932 4.789 -1.174 363 HD1 HIS 52 HD1 HIS 52 9.830 2.762 -1.005 364 HD2 HIS 52 HD2 HIS 52 7.498 3.545 2.393 365 HE1 HIS 52 HE1 HIS 52 10.004 0.690 0.475 366 H ASP 53 H ASP 53 11.212 7.558 -1.090 367 HA ASP 53 HA ASP 53 9.190 9.020 -2.578 368 1HB ASP 53 1HB ASP 53 9.499 10.529 -0.804 369 2HB ASP 53 2HB ASP 53 11.166 10.053 -0.550 370 H SER 54 H SER 54 10.118 7.746 -4.415 371 HA SER 54 HA SER 54 12.819 8.616 -5.087 372 1HB SER 54 1HB SER 54 13.087 6.575 -6.353 373 2HB SER 54 2HB SER 54 12.472 6.136 -4.772 374 HG SER 54 HG SER 54 11.425 5.474 -7.122 375 H MET 55 H MET 55 9.419 8.294 -6.110 376 HA MET 55 HA MET 55 8.305 9.006 -7.842 377 1HB MET 55 1HB MET 55 10.279 11.136 -7.173 378 2HB MET 55 2HB MET 55 9.650 11.278 -8.803 379 1HG MET 55 1HG MET 55 7.968 12.439 -7.721 380 2HG MET 55 2HG MET 55 7.302 10.830 -7.523 381 1HE MET 55 3HE MET 55 6.826 9.756 -5.748 382 2HE MET 55 1HE MET 55 8.305 9.345 -4.848 383 3HE MET 55 2HE MET 55 6.993 10.238 -4.043 384 H ASP 56 H ASP 56 10.288 6.989 -8.453 385 HA ASP 56 HA ASP 56 11.168 7.863 -11.085 386 1HB ASP 56 1HB ASP 56 12.056 5.589 -9.259 387 2HB ASP 56 2HB ASP 56 12.559 5.682 -10.935 388 H LYS 57 H LYS 57 9.264 5.513 -9.180 389 HA LYS 57 HA LYS 57 7.701 4.056 -9.735 390 1HB LYS 57 1HB LYS 57 6.811 5.892 -11.126 391 2HB LYS 57 2HB LYS 57 7.779 5.344 -12.480 392 1HG LYS 57 1HG LYS 57 5.970 3.343 -11.124 393 2HG LYS 57 2HG LYS 57 5.235 4.546 -12.165 394 1HD LYS 57 1HD LYS 57 7.296 3.753 -13.779 395 2HD LYS 57 2HD LYS 57 7.052 2.272 -12.875 396 1HE LYS 57 1HE LYS 57 4.995 1.861 -13.830 397 2HE LYS 57 2HE LYS 57 4.534 3.552 -13.821 398 1HZ LYS 57 1HZ LYS 57 5.500 2.105 -15.990 399 2HZ LYS 57 2HZ LYS 57 5.162 3.698 -15.958 400 H LYS 58 H LYS 58 9.424 4.201 -12.921 401 HA LYS 58 HA LYS 58 9.693 1.357 -12.893 402 1HB LYS 58 1HB LYS 58 10.661 1.646 -15.089 403 2HB LYS 58 2HB LYS 58 9.220 2.631 -14.947 404 1HG LYS 58 1HG LYS 58 10.387 4.559 -15.268 405 2HG LYS 58 2HG LYS 58 11.583 4.124 -14.063 406 1HD LYS 58 1HD LYS 58 12.584 2.523 -15.834 407 2HD LYS 58 2HD LYS 58 11.537 3.309 -17.000 408 1HE LYS 58 1HE LYS 58 12.591 5.471 -16.621 409 2HE LYS 58 2HE LYS 58 13.463 4.872 -15.224 410 1HZ LYS 58 1HZ LYS 58 14.398 4.866 -17.794 411 2HZ LYS 58 2HZ LYS 58 15.056 4.032 -16.560 412 H ASP 59 H ASP 59 10.831 1.704 -10.621 413 HA ASP 59 HA ASP 59 13.669 1.619 -11.237 414 1HB ASP 59 1HB ASP 59 13.039 3.821 -10.153 415 2HB ASP 59 2HB ASP 59 12.438 2.931 -8.768 416 H LYS 60 H LYS 60 11.199 1.208 -8.578 417 HA LYS 60 HA LYS 60 10.720 -0.503 -7.261 418 1HB LYS 60 1HB LYS 60 12.550 -2.218 -8.963 419 2HB LYS 60 2HB LYS 60 11.306 -2.774 -7.861 420 1HG LYS 60 1HG LYS 60 9.693 -2.517 -9.437 421 2HG LYS 60 2HG LYS 60 10.154 -0.850 -9.717 422 1HD LYS 60 1HD LYS 60 11.968 -1.588 -11.254 423 2HD LYS 60 2HD LYS 60 11.571 -3.266 -10.941 424 1HE LYS 60 1HE LYS 60 9.833 -3.237 -12.417 425 2HE LYS 60 2HE LYS 60 9.186 -1.752 -11.748 426 1HZ LYS 60 1HZ LYS 60 11.619 -1.512 -13.354 427 2HZ LYS 60 2HZ LYS 60 10.243 -1.837 -14.162 428 H SER 61 H SER 61 12.900 -2.691 -6.742 429 HA SER 61 HA SER 61 14.713 -2.962 -5.536 430 1HB SER 61 1HB SER 61 15.219 -0.402 -6.538 431 2HB SER 61 2HB SER 61 15.337 -0.169 -4.805 432 HG SER 61 HG SER 61 16.663 -2.416 -5.203 433 H ALA 62 H ALA 62 13.181 0.114 -4.311 434 HA ALA 62 HA ALA 62 11.720 -1.015 -2.283 435 1HB ALA 62 1HB ALA 62 14.600 -0.444 -1.537 436 2HB ALA 62 2HB ALA 62 13.295 -0.363 -0.329 437 3HB ALA 62 3HB ALA 62 13.621 -1.889 -1.186 438 H LYS 63 H LYS 63 13.997 1.656 -3.135 439 HA LYS 63 HA LYS 63 12.597 3.630 -1.706 440 1HB LYS 63 1HB LYS 63 14.553 3.769 -4.015 441 2HB LYS 63 2HB LYS 63 13.920 5.185 -3.200 442 1HG LYS 63 1HG LYS 63 15.083 2.988 -1.492 443 2HG LYS 63 2HG LYS 63 16.198 3.987 -2.403 444 1HD LYS 63 1HD LYS 63 14.632 5.956 -1.368 445 2HD LYS 63 2HD LYS 63 14.390 4.745 -0.126 446 1HE LYS 63 1HE LYS 63 17.115 4.573 -0.435 447 2HE LYS 63 2HE LYS 63 16.868 6.259 -0.845 448 1HZ LYS 63 1HZ LYS 63 15.380 5.496 1.485 449 2HZ LYS 63 2HZ LYS 63 16.976 5.251 1.693 450 H GLY 64 H GLY 64 11.766 1.806 -4.481 451 1HA GLY 64 1HA GLY 64 10.316 3.831 -5.896 452 2HA GLY 64 2HA GLY 64 10.264 2.098 -6.150 453 H TYR 65 H TYR 65 8.761 4.861 -4.592 454 HA TYR 65 HA TYR 65 7.189 3.641 -2.682 455 1HB TYR 65 1HB TYR 65 7.395 6.089 -3.020 456 2HB TYR 65 2HB TYR 65 6.816 5.958 -4.669 457 HD1 TYR 65 HD1 TYR 65 5.735 5.483 -1.122 458 HD2 TYR 65 HD2 TYR 65 4.533 6.246 -5.157 459 HE1 TYR 65 HE1 TYR 65 3.364 5.954 -0.335 460 HE2 TYR 65 HE2 TYR 65 2.166 6.713 -4.355 461 HH TYR 65 HH TYR 65 0.845 5.786 -2.010 462 H TYR 66 H TYR 66 6.605 4.070 -6.226 463 HA TYR 66 HA TYR 66 4.017 2.885 -6.092 464 1HB TYR 66 1HB TYR 66 4.490 4.412 -7.903 465 2HB TYR 66 2HB TYR 66 6.098 3.760 -8.145 466 HD1 TYR 66 HD1 TYR 66 6.319 1.435 -9.206 467 HD2 TYR 66 HD2 TYR 66 2.664 3.659 -9.205 468 HE1 TYR 66 HE1 TYR 66 5.445 0.014 -11.124 469 HE2 TYR 66 HE2 TYR 66 1.803 2.230 -11.123 470 HH TYR 66 HH TYR 66 3.858 0.152 -12.885 471 H HIS 67 H HIS 67 7.022 1.541 -5.575 472 HA HIS 67 HA HIS 67 6.414 -0.890 -7.059 473 1HB HIS 67 1HB HIS 67 8.605 -0.619 -7.479 474 2HB HIS 67 2HB HIS 67 8.852 0.438 -6.104 475 HD1 HIS 67 HD1 HIS 67 9.301 -3.058 -7.239 476 HD2 HIS 67 HD2 HIS 67 9.352 -0.969 -3.603 477 HE1 HIS 67 HE1 HIS 67 10.418 -4.602 -5.543 478 H VAL 68 H VAL 68 6.173 0.571 -3.918 479 HA VAL 68 HA VAL 68 6.023 -2.045 -2.627 480 HB VAL 68 HB VAL 68 5.821 -0.549 -0.564 481 1HG1 VAL 68 2HG1 VAL 68 7.895 -1.785 -1.505 482 2HG1 VAL 68 3HG1 VAL 68 8.439 -0.169 -2.016 483 3HG1 VAL 68 1HG1 VAL 68 8.144 -0.505 -0.293 484 1HG2 VAL 68 2HG2 VAL 68 5.232 1.509 -1.903 485 2HG2 VAL 68 3HG2 VAL 68 6.536 1.729 -0.711 486 3HG2 VAL 68 1HG2 VAL 68 6.928 1.561 -2.439 487 H MET 69 H MET 69 4.050 -0.402 -4.555 488 HA MET 69 HA MET 69 1.751 -0.812 -2.801 489 1HB MET 69 1HB MET 69 2.059 1.083 -5.197 490 2HB MET 69 2HB MET 69 0.611 0.930 -4.222 491 1HG MET 69 1HG MET 69 3.322 1.736 -3.067 492 2HG MET 69 2HG MET 69 2.130 2.898 -3.612 493 1HE MET 69 2HE MET 69 3.571 1.848 -0.653 494 2HE MET 69 3HE MET 69 2.852 3.467 -0.828 495 3HE MET 69 1HE MET 69 2.302 2.385 0.474 496 H HIS 70 H HIS 70 3.468 -1.889 -5.558 497 HA HIS 70 HA HIS 70 1.129 -3.428 -6.371 498 1HB HIS 70 1HB HIS 70 3.034 -2.260 -8.402 499 2HB HIS 70 2HB HIS 70 1.498 -3.056 -8.685 500 HD1 HIS 70 HD1 HIS 70 2.891 0.184 -7.229 501 HD2 HIS 70 HD2 HIS 70 -0.700 -1.380 -8.731 502 HE1 HIS 70 HE1 HIS 70 1.272 2.149 -7.402 503 H ASP 71 H ASP 71 4.665 -2.991 -7.127 504 HA ASP 71 HA ASP 71 5.329 -5.397 -7.906 505 1HB ASP 71 1HB ASP 71 6.715 -3.236 -6.942 506 2HB ASP 71 2HB ASP 71 7.059 -4.395 -5.674 507 H LYS 72 H LYS 72 5.181 -7.505 -7.100 508 HA LYS 72 HA LYS 72 4.401 -7.786 -4.305 509 1HB LYS 72 1HB LYS 72 4.377 -9.894 -6.477 510 2HB LYS 72 2HB LYS 72 3.575 -9.952 -4.921 511 1HG LYS 72 1HG LYS 72 1.750 -9.008 -5.875 512 2HG LYS 72 2HG LYS 72 2.674 -7.538 -6.109 513 1HD LYS 72 1HD LYS 72 1.827 -8.188 -8.279 514 2HD LYS 72 2HD LYS 72 3.550 -8.505 -8.290 515 1HE LYS 72 1HE LYS 72 2.182 -10.853 -7.270 516 2HE LYS 72 2HE LYS 72 1.414 -10.363 -8.767 517 1HZ LYS 72 1HZ LYS 72 3.346 -10.727 -9.953 518 2HZ LYS 72 2HZ LYS 72 4.347 -10.426 -8.704 519 H ASN 73 H ASN 73 7.031 -8.405 -6.593 520 HA ASN 73 HA ASN 73 8.327 -10.317 -5.016 521 1HB ASN 73 1HB ASN 73 9.017 -8.574 -7.372 522 2HB ASN 73 2HB ASN 73 10.373 -9.210 -6.462 523 1HD2 ASN 73 2HD2 ASN 73 9.088 -11.486 -9.273 524 2HD2 ASN 73 1HD2 ASN 73 9.308 -9.771 -9.177 525 H THR 74 H THR 74 7.759 -8.722 -3.003 526 HA THR 74 HA THR 74 10.180 -7.115 -2.531 527 HB THR 74 HB THR 74 8.658 -5.544 -1.263 528 HG1 THR 74 HG1 THR 74 6.439 -6.072 -1.309 529 1HG2 THR 74 2HG2 THR 74 9.038 -5.511 -3.959 530 2HG2 THR 74 3HG2 THR 74 7.287 -5.826 -3.927 531 3HG2 THR 74 1HG2 THR 74 7.943 -4.368 -3.145 532 H LYS 75 H LYS 75 10.894 -6.990 -0.313 533 HA LYS 75 HA LYS 75 10.736 -9.497 0.946 534 1HB LYS 75 1HB LYS 75 12.738 -8.245 1.161 535 2HB LYS 75 2HB LYS 75 11.894 -6.820 1.732 536 1HG LYS 75 1HG LYS 75 11.515 -7.726 3.875 537 2HG LYS 75 2HG LYS 75 11.621 -9.382 3.313 538 1HD LYS 75 1HD LYS 75 14.021 -9.279 3.119 539 2HD LYS 75 2HD LYS 75 14.036 -7.530 3.241 540 1HE LYS 75 1HE LYS 75 13.918 -7.556 5.536 541 2HE LYS 75 2HE LYS 75 12.753 -8.865 5.564 542 1HZ LYS 75 1HZ LYS 75 14.960 -9.507 6.458 543 2HZ LYS 75 2HZ LYS 75 14.540 -10.439 5.190 544 H PHE 76 H PHE 76 8.849 -6.517 1.169 545 HA PHE 76 HA PHE 76 7.446 -7.646 3.493 546 1HB PHE 76 1HB PHE 76 7.732 -4.843 2.244 547 2HB PHE 76 2HB PHE 76 6.650 -5.167 3.584 548 HD1 PHE 76 HD2 PHE 76 7.819 -6.351 5.682 549 HD2 PHE 76 HD1 PHE 76 9.862 -4.043 2.715 550 HE1 PHE 76 HE2 PHE 76 9.723 -5.928 7.313 551 HE2 PHE 76 HE1 PHE 76 11.759 -3.628 4.356 552 HZ PHE 76 HZ PHE 76 11.603 -4.654 6.676 553 H LYS 77 H LYS 77 5.073 -7.421 3.537 554 HA LYS 77 HA LYS 77 3.941 -8.261 1.101 555 1HB LYS 77 1HB LYS 77 2.943 -7.637 3.855 556 2HB LYS 77 2HB LYS 77 1.775 -7.762 2.555 557 1HG LYS 77 1HG LYS 77 3.871 -9.918 2.743 558 2HG LYS 77 2HG LYS 77 2.603 -9.920 3.953 559 1HD LYS 77 1HD LYS 77 1.471 -11.147 2.372 560 2HD LYS 77 2HD LYS 77 1.063 -9.565 1.738 561 1HE LYS 77 1HE LYS 77 2.845 -9.659 0.092 562 2HE LYS 77 2HE LYS 77 3.567 -11.064 0.853 563 1HZ LYS 77 1HZ LYS 77 1.475 -12.287 0.298 564 2HZ LYS 77 2HZ LYS 77 0.943 -10.993 -0.535 565 H SER 78 H SER 78 3.257 -7.102 -0.615 566 HA SER 78 HA SER 78 3.121 -4.238 -0.248 567 1HB SER 78 1HB SER 78 4.199 -4.302 -2.234 568 2HB SER 78 2HB SER 78 3.918 -6.024 -2.392 569 HG SER 78 HG SER 78 2.854 -5.111 -4.129 570 H CYS 79 H CYS 79 1.286 -3.031 -1.366 571 HA CYS 79 HA CYS 79 -1.130 -3.727 -0.407 572 1HB CYS 79 1HB CYS 79 -0.679 -2.243 -3.004 573 2HB CYS 79 2HB CYS 79 -2.111 -2.174 -1.996 574 H VAL 80 H VAL 80 -0.209 -4.059 -3.921 575 HA VAL 80 HA VAL 80 -2.340 -5.790 -4.494 576 HB VAL 80 HB VAL 80 0.274 -5.225 -5.903 577 1HG1 VAL 80 1HG1 VAL 80 -2.026 -7.001 -6.620 578 2HG1 VAL 80 2HG1 VAL 80 -1.264 -6.044 -7.913 579 3HG1 VAL 80 3HG1 VAL 80 -0.288 -7.184 -6.957 580 1HG2 VAL 80 2HG2 VAL 80 -2.432 -3.955 -5.883 581 2HG2 VAL 80 3HG2 VAL 80 -0.818 -3.217 -6.027 582 3HG2 VAL 80 1HG2 VAL 80 -1.555 -4.027 -7.430 583 H GLY 81 H GLY 81 1.017 -6.285 -3.368 584 1HA GLY 81 1HA GLY 81 1.375 -8.961 -3.912 585 2HA GLY 81 2HA GLY 81 2.034 -8.107 -2.531 586 H CYS 82 H CYS 82 0.108 -7.552 -0.799 587 HA CYS 82 HA CYS 82 -0.607 -10.039 0.237 588 1HB CYS 82 1HB CYS 82 -0.226 -8.042 1.628 589 2HB CYS 82 2HB CYS 82 -1.658 -7.283 0.960 590 H HIS 83 H HIS 83 -2.412 -7.466 -1.558 591 HA HIS 83 HA HIS 83 -4.931 -8.525 -1.369 592 1HB HIS 83 1HB HIS 83 -3.527 -6.825 -3.410 593 2HB HIS 83 2HB HIS 83 -5.157 -7.385 -3.726 594 HD1 HIS 83 HD1 HIS 83 -6.123 -4.972 -3.567 595 HD2 HIS 83 HD2 HIS 83 -4.251 -6.311 -0.060 596 HE1 HIS 83 HE1 HIS 83 -6.765 -3.315 -1.736 597 H VAL 84 H VAL 84 -2.273 -9.299 -3.684 598 HA VAL 84 HA VAL 84 -3.709 -10.965 -5.356 599 HB VAL 84 HB VAL 84 -0.817 -10.948 -4.487 600 1HG1 VAL 84 1HG1 VAL 84 -2.236 -12.965 -5.993 601 2HG1 VAL 84 2HG1 VAL 84 -1.037 -12.156 -7.030 602 3HG1 VAL 84 3HG1 VAL 84 -0.525 -12.913 -5.503 603 1HG2 VAL 84 1HG2 VAL 84 -2.279 -9.175 -6.061 604 2HG2 VAL 84 2HG2 VAL 84 -0.507 -9.331 -6.003 605 3HG2 VAL 84 3HG2 VAL 84 -1.438 -10.208 -7.241 606 H GLU 85 H GLU 85 -2.229 -11.550 -2.142 607 HA GLU 85 HA GLU 85 -2.686 -14.336 -2.276 608 1HB GLU 85 1HB GLU 85 -1.579 -12.386 -0.342 609 2HB GLU 85 2HB GLU 85 -2.412 -13.725 0.422 610 1HG GLU 85 1HG GLU 85 -0.801 -14.773 -1.745 611 2HG GLU 85 2HG GLU 85 0.203 -13.715 -0.773 612 H VAL 86 H VAL 86 -4.473 -11.473 -1.120 613 HA VAL 86 HA VAL 86 -6.397 -12.965 0.348 614 HB VAL 86 HB VAL 86 -6.437 -10.152 -0.765 615 1HG1 VAL 86 3HG1 VAL 86 -8.218 -11.538 1.261 616 2HG1 VAL 86 1HG1 VAL 86 -8.137 -9.772 1.058 617 3HG1 VAL 86 2HG1 VAL 86 -8.693 -10.797 -0.287 618 1HG2 VAL 86 2HG2 VAL 86 -4.612 -10.962 0.956 619 2HG2 VAL 86 3HG2 VAL 86 -5.439 -9.401 1.177 620 3HG2 VAL 86 1HG2 VAL 86 -5.950 -10.821 2.121 621 H ALA 87 H ALA 87 -6.410 -11.296 -2.880 622 HA ALA 87 HA ALA 87 -8.973 -12.222 -3.567 623 1HB ALA 87 2HB ALA 87 -7.552 -10.274 -4.520 624 2HB ALA 87 3HB ALA 87 -6.774 -11.518 -5.528 625 3HB ALA 87 1HB ALA 87 -8.525 -11.230 -5.664 626 H GLY 88 H GLY 88 -5.705 -13.613 -3.746 627 1HA GLY 88 1HA GLY 88 -4.947 -15.599 -4.485 628 2HA GLY 88 2HA GLY 88 -6.482 -16.230 -3.923 629 H ALA 89 H ALA 89 -7.938 -17.040 -5.403 630 HA ALA 89 HA ALA 89 -7.560 -16.246 -8.199 631 1HB ALA 89 2HB ALA 89 -6.607 -18.620 -7.241 632 2HB ALA 89 3HB ALA 89 -8.264 -19.087 -7.694 633 3HB ALA 89 1HB ALA 89 -7.176 -18.375 -8.910 634 H ASP 90 H ASP 90 -9.406 -14.842 -7.126 635 HA ASP 90 HA ASP 90 -11.863 -16.400 -7.236 636 1HB ASP 90 1HB ASP 90 -11.464 -15.143 -5.126 637 2HB ASP 90 2HB ASP 90 -11.286 -13.653 -6.031 638 H ALA 91 H ALA 91 -9.879 -13.909 -8.711 639 HA ALA 91 HA ALA 91 -10.092 -12.940 -10.717 640 1HB ALA 91 3HB ALA 91 -11.799 -14.924 -11.104 641 2HB ALA 91 1HB ALA 91 -13.014 -13.633 -10.947 642 3HB ALA 91 2HB ALA 91 -11.769 -13.533 -12.215 643 H ALA 92 H ALA 92 -13.441 -12.614 -9.347 644 HA ALA 92 HA ALA 92 -13.818 -9.996 -9.848 645 1HB ALA 92 2HB ALA 92 -15.190 -11.926 -8.556 646 2HB ALA 92 3HB ALA 92 -14.674 -10.961 -7.153 647 3HB ALA 92 1HB ALA 92 -15.626 -10.203 -8.452 648 H LYS 93 H LYS 93 -12.429 -11.299 -6.745 649 HA LYS 93 HA LYS 93 -11.711 -8.738 -5.820 650 1HB LYS 93 1HB LYS 93 -11.050 -11.563 -5.006 651 2HB LYS 93 2HB LYS 93 -10.243 -10.206 -4.247 652 1HG LYS 93 1HG LYS 93 -12.574 -9.212 -3.799 653 2HG LYS 93 2HG LYS 93 -13.244 -10.741 -4.330 654 1HD LYS 93 1HD LYS 93 -11.069 -11.042 -2.333 655 2HD LYS 93 2HD LYS 93 -12.448 -10.146 -1.727 656 1HE LYS 93 1HE LYS 93 -13.083 -12.354 -1.244 657 2HE LYS 93 2HE LYS 93 -13.882 -12.096 -2.782 658 1HZ LYS 93 1HZ LYS 93 -12.271 -13.365 -3.892 659 2HZ LYS 93 2HZ LYS 93 -11.154 -13.225 -2.716 660 H LYS 94 H LYS 94 -10.144 -11.169 -7.891 661 HA LYS 94 HA LYS 94 -7.540 -10.143 -7.680 662 1HB LYS 94 1HB LYS 94 -8.300 -12.413 -8.556 663 2HB LYS 94 2HB LYS 94 -8.719 -11.604 -10.053 664 1HG LYS 94 1HG LYS 94 -6.359 -10.739 -10.220 665 2HG LYS 94 2HG LYS 94 -5.952 -11.608 -8.754 666 1HD LYS 94 1HD LYS 94 -6.397 -13.761 -9.803 667 2HD LYS 94 2HD LYS 94 -7.115 -12.997 -11.208 668 1HE LYS 94 1HE LYS 94 -4.930 -13.533 -11.948 669 2HE LYS 94 2HE LYS 94 -4.803 -11.833 -11.540 670 1HZ LYS 94 1HZ LYS 94 -3.719 -12.364 -9.516 671 2HZ LYS 94 2HZ LYS 94 -4.137 -13.937 -9.564 672 H LYS 95 H LYS 95 -10.401 -8.782 -8.949 673 HA LYS 95 HA LYS 95 -8.784 -6.944 -10.572 674 1HB LYS 95 1HB LYS 95 -10.696 -8.639 -11.566 675 2HB LYS 95 2HB LYS 95 -11.641 -7.194 -11.267 676 1HG LYS 95 1HG LYS 95 -10.365 -5.878 -12.754 677 2HG LYS 95 2HG LYS 95 -8.956 -6.912 -12.630 678 1HD LYS 95 1HD LYS 95 -11.510 -8.027 -13.819 679 2HD LYS 95 2HD LYS 95 -10.489 -6.994 -14.800 680 1HE LYS 95 1HE LYS 95 -8.597 -8.494 -14.585 681 2HE LYS 95 2HE LYS 95 -9.375 -9.408 -13.308 682 1HZ LYS 95 1HZ LYS 95 -11.146 -9.927 -15.056 683 2HZ LYS 95 2HZ LYS 95 -10.103 -9.370 -16.175 684 H ASP 96 H ASP 96 -10.513 -7.412 -7.731 685 HA ASP 96 HA ASP 96 -11.369 -4.627 -7.730 686 1HB ASP 96 1HB ASP 96 -12.552 -7.110 -6.727 687 2HB ASP 96 2HB ASP 96 -12.369 -5.957 -5.420 688 H LEU 97 H LEU 97 -8.987 -6.845 -6.693 689 HA LEU 97 HA LEU 97 -8.315 -5.144 -4.392 690 1HB LEU 97 1HB LEU 97 -8.000 -8.120 -4.764 691 2HB LEU 97 2HB LEU 97 -7.139 -7.217 -3.534 692 HG LEU 97 HG LEU 97 -10.103 -7.724 -3.763 693 1HD1 LEU 97 2HD1 LEU 97 -8.611 -9.379 -2.626 694 2HD1 LEU 97 3HD1 LEU 97 -8.210 -8.120 -1.433 695 3HD1 LEU 97 1HD1 LEU 97 -9.887 -8.698 -1.589 696 1HD2 LEU 97 2HD2 LEU 97 -8.723 -5.598 -2.111 697 2HD2 LEU 97 3HD2 LEU 97 -10.035 -5.396 -3.296 698 3HD2 LEU 97 1HD2 LEU 97 -10.351 -6.223 -1.752 699 H THR 98 H THR 98 -7.184 -7.055 -7.219 700 HA THR 98 HA THR 98 -4.698 -5.474 -7.114 701 HB THR 98 HB THR 98 -3.513 -7.438 -7.868 702 HG1 THR 98 HG1 THR 98 -4.898 -9.318 -8.497 703 1HG2 THR 98 2HG2 THR 98 -5.705 -8.330 -5.921 704 2HG2 THR 98 3HG2 THR 98 -4.261 -9.294 -6.317 705 3HG2 THR 98 1HG2 THR 98 -4.087 -7.732 -5.482 706 H GLY 99 H GLY 99 -7.477 -5.085 -8.414 707 1HA GLY 99 1HA GLY 99 -7.183 -5.449 -11.193 708 2HA GLY 99 2HA GLY 99 -8.289 -4.359 -10.382 709 H CYS 100 H CYS 100 -6.812 -3.816 -12.852 710 HA CYS 100 HA CYS 100 -4.776 -1.935 -11.995 711 1HB CYS 100 1HB CYS 100 -5.372 -3.423 -14.447 712 2HB CYS 100 2HB CYS 100 -4.969 -1.744 -14.743 713 H LYS 101 H LYS 101 -8.009 -2.186 -13.556 714 HA LYS 101 HA LYS 101 -8.420 0.632 -12.953 715 1HB LYS 101 1HB LYS 101 -7.643 0.677 -15.249 716 2HB LYS 101 2HB LYS 101 -8.776 -0.578 -15.709 717 1HG LYS 101 1HG LYS 101 -9.958 1.831 -14.370 718 2HG LYS 101 2HG LYS 101 -9.302 2.089 -15.974 719 1HD LYS 101 1HD LYS 101 -10.906 -0.382 -15.821 720 2HD LYS 101 2HD LYS 101 -11.835 1.032 -15.366 721 1HE LYS 101 1HE LYS 101 -10.107 1.123 -17.856 722 2HE LYS 101 2HE LYS 101 -11.665 0.324 -17.918 723 1HZ LYS 101 1HZ LYS 101 -12.017 2.788 -16.623 724 2HZ LYS 101 2HZ LYS 101 -11.166 3.083 -17.980 725 H LYS 102 H LYS 102 -10.506 1.079 -12.271 726 HA LYS 102 HA LYS 102 -12.615 0.725 -11.695 727 1HB LYS 102 1HB LYS 102 -12.842 -0.146 -14.061 728 2HB LYS 102 2HB LYS 102 -12.628 -1.763 -13.422 729 1HG LYS 102 1HG LYS 102 -14.585 -1.390 -11.881 730 2HG LYS 102 2HG LYS 102 -14.813 0.200 -12.581 731 1HD LYS 102 1HD LYS 102 -14.897 -1.102 -14.884 732 2HD LYS 102 2HD LYS 102 -15.208 -2.509 -13.886 733 1HE LYS 102 1HE LYS 102 -17.372 -1.643 -14.445 734 2HE LYS 102 2HE LYS 102 -17.105 -1.172 -12.778 735 1HZ LYS 102 1HZ LYS 102 -16.057 0.917 -14.151 736 2HZ LYS 102 2HZ LYS 102 -17.310 0.511 -15.109 737 H SER 103 H SER 103 -10.429 -0.066 -10.077 738 HA SER 103 HA SER 103 -11.515 -2.490 -8.872 739 1HB SER 103 1HB SER 103 -9.022 -2.145 -7.714 740 2HB SER 103 2HB SER 103 -9.374 -3.219 -9.054 741 HG SER 103 HG SER 103 -8.529 -0.457 -9.301 742 H LYS 104 H LYS 104 -10.371 -2.320 -6.322 743 HA LYS 104 HA LYS 104 -12.018 -0.309 -5.152 744 1HB LYS 104 1HB LYS 104 -10.141 -2.400 -4.031 745 2HB LYS 104 2HB LYS 104 -10.996 -1.258 -3.015 746 1HG LYS 104 1HG LYS 104 -12.680 -2.660 -5.050 747 2HG LYS 104 2HG LYS 104 -12.018 -3.687 -3.793 748 1HD LYS 104 1HD LYS 104 -12.942 -1.368 -2.436 749 2HD LYS 104 2HD LYS 104 -14.182 -1.722 -3.622 750 1HE LYS 104 1HE LYS 104 -13.035 -3.918 -1.855 751 2HE LYS 104 2HE LYS 104 -14.336 -2.891 -1.286 752 1HZ LYS 104 1HZ LYS 104 -15.624 -3.573 -3.274 753 2HZ LYS 104 2HZ LYS 104 -14.428 -4.581 -3.727 754 H CYS 105 H CYS 105 -8.633 -0.636 -6.102 755 HA CYS 105 HA CYS 105 -7.846 1.606 -4.475 756 1HB CYS 105 1HB CYS 105 -6.231 0.124 -6.573 757 2HB CYS 105 2HB CYS 105 -5.617 1.231 -5.360 758 H HIS 106 H HIS 106 -7.584 0.804 -8.023 759 HA HIS 106 HA HIS 106 -7.872 3.647 -8.571 760 1HB HIS 106 1HB HIS 106 -7.020 1.355 -10.362 761 2HB HIS 106 2HB HIS 106 -7.082 3.041 -10.836 762 HD1 HIS 106 HD1 HIS 106 -5.647 4.553 -8.719 763 HD2 HIS 106 HD2 HIS 106 -4.418 0.719 -9.896 764 HE1 HIS 106 HE1 HIS 106 -3.192 4.352 -8.051 765 H GLU 107 H GLU 107 -9.462 4.458 -10.048 766 HA GLU 107 HA GLU 107 -11.698 2.608 -10.326 767 1HB GLU 107 1HB GLU 107 -13.158 4.599 -10.318 768 2HB GLU 107 2HB GLU 107 -12.171 4.545 -8.871 769 1HG GLU 107 1HG GLU 107 -11.047 6.463 -9.415 770 2HG GLU 107 2HG GLU 107 -10.852 5.987 -11.090 771 HHA HEC 108 HHA HEC 108 -0.823 6.675 7.530 772 HHB HEC 108 HHB HEC 108 -1.831 4.017 13.277 773 HHC HEC 108 HHC HEC 108 -2.632 -1.701 10.497 774 HHD HEC 108 HHD HEC 108 -1.270 0.912 4.762 775 1HMA HEC 108 1HMA HEC 108 -1.176 5.879 13.583 776 2HMA HEC 108 2HMA HEC 108 -0.306 7.263 12.879 777 3HMA HEC 108 3HMA HEC 108 -2.086 7.256 12.916 778 1HAA HEC 108 1HAA HEC 108 -0.316 8.027 8.899 779 2HAA HEC 108 2HAA HEC 108 -1.507 8.581 10.100 780 1HBA HEC 108 1HBA HEC 108 0.941 7.709 11.384 781 2HBA HEC 108 2HBA HEC 108 1.253 8.958 10.155 782 1HMB HEC 108 1HMB HEC 108 -3.759 2.048 14.673 783 2HMB HEC 108 2HMB HEC 108 -2.486 0.895 15.139 784 3HMB HEC 108 3HMB HEC 108 -2.065 2.584 14.769 785 HAB HEC 108 HAB HEC 108 -3.346 -1.839 12.355 786 1HBB HEC 108 1HBB HEC 108 -4.225 -0.241 14.773 787 2HBB HEC 108 2HBB HEC 108 -5.225 -0.638 13.355 788 3HBB HEC 108 3HBB HEC 108 -4.637 -1.936 14.421 789 1HMC HEC 108 1HMC HEC 108 -2.116 -3.659 7.365 790 2HMC HEC 108 2HMC HEC 108 -2.393 -3.234 9.072 791 3HMC HEC 108 3HMC HEC 108 -3.735 -3.154 7.905 792 HAC HEC 108 HAC HEC 108 -2.068 -0.989 4.424 793 1HBC HEC 108 1HBC HEC 108 -3.813 -2.615 5.570 794 2HBC HEC 108 2HBC HEC 108 -3.123 -2.955 3.965 795 3HBC HEC 108 3HBC HEC 108 -2.474 -3.776 5.404 796 1HMD HEC 108 1HMD HEC 108 -1.389 3.048 3.029 797 2HMD HEC 108 2HMD HEC 108 0.105 4.013 3.059 798 3HMD HEC 108 3HMD HEC 108 0.150 2.291 3.505 799 1HAD HEC 108 1HAD HEC 108 -0.472 6.906 5.563 800 2HAD HEC 108 2HAD HEC 108 0.919 6.085 4.814 801 1HBD HEC 108 1HBD HEC 108 -1.299 5.424 3.221 802 2HBD HEC 108 2HBD HEC 108 -1.461 7.156 3.595 803 HHA HEC 109 HHA HEC 109 11.590 -2.243 1.678 804 HHB HEC 109 HHB HEC 109 5.226 -1.540 1.339 805 HHC HEC 109 HHC HEC 109 5.562 3.391 5.424 806 HHD HEC 109 HHD HEC 109 12.024 3.333 4.814 807 1HMA HEC 109 1HMA HEC 109 7.225 -4.341 -0.342 808 2HMA HEC 109 2HMA HEC 109 5.999 -3.961 0.891 809 3HMA HEC 109 3HMA HEC 109 6.144 -2.944 -0.562 810 1HAA HEC 109 1HAA HEC 109 10.844 -3.879 0.762 811 2HAA HEC 109 2HAA HEC 109 9.382 -4.795 0.326 812 1HBA HEC 109 1HBA HEC 109 9.210 -3.549 -1.766 813 2HBA HEC 109 2HBA HEC 109 10.650 -2.599 -1.328 814 1HMB HEC 109 1HMB HEC 109 2.626 0.330 1.771 815 2HMB HEC 109 2HMB HEC 109 3.383 -1.251 2.081 816 3HMB HEC 109 3HMB HEC 109 2.409 -0.466 3.348 817 HAB HEC 109 HAB HEC 109 3.654 2.853 5.295 818 1HBB HEC 109 1HBB HEC 109 1.463 1.052 4.361 819 2HBB HEC 109 2HBB HEC 109 2.655 0.423 5.524 820 3HBB HEC 109 3HBB HEC 109 1.695 1.867 5.927 821 1HMC HEC 109 1HMC HEC 109 6.389 5.251 6.122 822 2HMC HEC 109 2HMC HEC 109 7.352 4.980 7.595 823 3HMC HEC 109 3HMC HEC 109 7.841 6.234 6.430 824 HAC HEC 109 HAC HEC 109 11.582 4.881 5.924 825 1HBC HEC 109 1HBC HEC 109 11.167 6.143 8.057 826 2HBC HEC 109 2HBC HEC 109 9.550 5.400 8.101 827 3HBC HEC 109 3HBC HEC 109 11.003 4.374 8.171 828 1HMD HEC 109 1HMD HEC 109 13.944 2.872 3.953 829 2HMD HEC 109 2HMD HEC 109 14.375 1.502 5.004 830 3HMD HEC 109 3HMD HEC 109 14.942 1.542 3.318 831 1HAD HEC 109 1HAD HEC 109 13.545 -1.947 2.166 832 2HAD HEC 109 2HAD HEC 109 14.279 -0.519 1.398 833 1HBD HEC 109 1HBD HEC 109 14.848 -0.579 4.238 834 2HBD HEC 109 2HBD HEC 109 15.351 -2.088 3.439 835 HHA HEC 110 HHA HEC 110 -10.289 -4.743 0.876 836 HHB HEC 110 HHB HEC 110 -6.472 0.095 -0.895 837 HHC HEC 110 HHC HEC 110 -1.528 -2.773 1.996 838 HHD HEC 110 HHD HEC 110 -5.222 -7.883 3.233 839 1HMA HEC 110 1HMA HEC 110 -10.242 0.005 -1.383 840 2HMA HEC 110 2HMA HEC 110 -8.702 0.758 -0.903 841 3HMA HEC 110 3HMA HEC 110 -8.802 -0.177 -2.415 842 1HAA HEC 110 1HAA HEC 110 -11.414 -1.691 -1.113 843 2HAA HEC 110 2HAA HEC 110 -11.241 -3.461 -1.046 844 1HBA HEC 110 1HBA HEC 110 -12.886 -2.951 0.532 845 2HBA HEC 110 2HBA HEC 110 -11.411 -3.207 1.495 846 1HMB HEC 110 1HMB HEC 110 -4.871 1.419 -0.862 847 2HMB HEC 110 2HMB HEC 110 -3.134 1.627 -0.533 848 3HMB HEC 110 3HMB HEC 110 -3.665 0.762 -1.995 849 HAB HEC 110 HAB HEC 110 -0.827 -1.130 1.108 850 1HBB HEC 110 1HBB HEC 110 -0.929 1.545 -0.025 851 2HBB HEC 110 2HBB HEC 110 -2.125 1.317 1.273 852 3HBB HEC 110 3HBB HEC 110 -0.402 0.997 1.584 853 1HMC HEC 110 1HMC HEC 110 -0.120 -6.035 2.175 854 2HMC HEC 110 2HMC HEC 110 -0.301 -4.296 2.510 855 3HMC HEC 110 3HMC HEC 110 -0.368 -5.472 3.845 856 HAC HEC 110 HAC HEC 110 -3.296 -8.068 4.285 857 1HBC HEC 110 1HBC HEC 110 -1.275 -6.865 5.117 858 2HBC HEC 110 2HBC HEC 110 -1.060 -8.621 4.924 859 3HBC HEC 110 3HBC HEC 110 -0.379 -7.503 3.718 860 1HMD HEC 110 1HMD HEC 110 -7.107 -9.345 2.943 861 2HMD HEC 110 2HMD HEC 110 -7.534 -8.515 4.458 862 3HMD HEC 110 3HMD HEC 110 -8.817 -9.126 3.386 863 1HAD HEC 110 1HAD HEC 110 -10.451 -8.040 2.809 864 2HAD HEC 110 2HAD HEC 110 -10.945 -6.334 2.695 865 1HBD HEC 110 1HBD HEC 110 -11.687 -6.614 0.622 866 2HBD HEC 110 2HBD HEC 110 -10.168 -7.383 0.103 867 HHA HEC 111 HHA HEC 111 0.228 5.499 -7.643 868 HHB HEC 111 HHB HEC 111 -0.658 2.009 -12.948 869 HHC HEC 111 HHC HEC 111 -3.309 -2.670 -9.465 870 HHD HEC 111 HHD HEC 111 -3.035 1.157 -4.243 871 1HMA HEC 111 1HMA HEC 111 0.090 3.842 -13.498 872 2HMA HEC 111 2HMA HEC 111 0.622 5.454 -12.963 873 3HMA HEC 111 3HMA HEC 111 1.750 4.078 -12.901 874 1HAA HEC 111 1HAA HEC 111 0.504 6.908 -10.639 875 2HAA HEC 111 2HAA HEC 111 1.207 6.394 -9.086 876 1HBA HEC 111 1HBA HEC 111 3.244 6.159 -9.967 877 2HBA HEC 111 2HBA HEC 111 2.630 5.328 -11.416 878 1HMB HEC 111 1HMB HEC 111 -1.854 -0.217 -14.434 879 2HMB HEC 111 2HMB HEC 111 -0.176 0.044 -13.901 880 3HMB HEC 111 3HMB HEC 111 -0.820 -1.610 -14.036 881 HAB HEC 111 HAB HEC 111 -3.352 -3.220 -11.513 882 1HBB HEC 111 1HBB HEC 111 -0.567 -3.444 -11.251 883 2HBB HEC 111 2HBB HEC 111 -1.772 -4.754 -11.280 884 3HBB HEC 111 3HBB HEC 111 -0.977 -4.241 -12.788 885 1HMC HEC 111 1HMC HEC 111 -4.418 -3.711 -6.252 886 2HMC HEC 111 2HMC HEC 111 -5.801 -2.819 -6.930 887 3HMC HEC 111 3HMC HEC 111 -4.531 -3.445 -8.009 888 HAC HEC 111 HAC HEC 111 -4.032 -0.474 -3.718 889 1HBC HEC 111 1HBC HEC 111 -4.284 -2.539 -2.798 890 2HBC HEC 111 2HBC HEC 111 -5.124 -3.201 -4.220 891 3HBC HEC 111 3HBC HEC 111 -3.358 -2.982 -4.252 892 1HMD HEC 111 1HMD HEC 111 -1.822 2.249 -2.901 893 2HMD HEC 111 2HMD HEC 111 -0.767 3.670 -2.709 894 3HMD HEC 111 3HMD HEC 111 -2.515 3.887 -2.962 895 1HAD HEC 111 1HAD HEC 111 0.474 5.220 -3.979 896 2HAD HEC 111 2HAD HEC 111 0.697 5.781 -5.654 897 1HBD HEC 111 1HBD HEC 111 -1.812 6.601 -5.310 898 2HBD HEC 111 2HBD HEC 111 -1.300 6.602 -3.605 No H/Q in entry = 898 Start of MODEL 19 1 1H ALA 1 1H ALA 1 3.234 3.219 21.029 2 2H ALA 1 2H ALA 1 2.177 4.489 21.142 3 HA ALA 1 HA ALA 1 2.069 3.356 19.043 4 1HB ALA 1 3HB ALA 1 1.291 1.087 20.901 5 2HB ALA 1 1HB ALA 1 0.858 1.092 19.175 6 3HB ALA 1 2HB ALA 1 2.570 1.114 19.663 7 HA PRO 2 HA PRO 2 -1.793 5.342 19.896 8 1HB PRO 2 1HB PRO 2 -1.888 6.822 17.602 9 2HB PRO 2 2HB PRO 2 -1.124 7.386 19.074 10 1HG PRO 2 1HG PRO 2 0.140 6.399 16.591 11 2HG PRO 2 2HG PRO 2 0.850 7.346 17.883 12 1HD PRO 2 1HD PRO 2 1.210 4.539 17.416 13 2HD PRO 2 2HD PRO 2 1.825 5.463 18.772 14 H LYS 3 H LYS 3 -3.865 5.750 18.436 15 HA LYS 3 HA LYS 3 -4.384 3.089 17.406 16 1HB LYS 3 1HB LYS 3 -6.128 5.448 18.130 17 2HB LYS 3 2HB LYS 3 -6.759 4.058 17.271 18 1HG LYS 3 1HG LYS 3 -5.614 2.652 19.192 19 2HG LYS 3 2HG LYS 3 -5.586 4.170 20.068 20 1HD LYS 3 1HD LYS 3 -8.185 4.171 19.153 21 2HD LYS 3 2HD LYS 3 -7.911 2.449 19.328 22 1HE LYS 3 1HE LYS 3 -7.083 2.874 21.691 23 2HE LYS 3 2HE LYS 3 -7.512 4.562 21.499 24 1HZ LYS 3 1HZ LYS 3 -9.745 4.067 21.563 25 2HZ LYS 3 2HZ LYS 3 -9.590 2.588 20.898 26 H ALA 4 H ALA 4 -5.912 3.094 15.350 27 HA ALA 4 HA ALA 4 -4.331 4.068 13.241 28 1HB ALA 4 2HB ALA 4 -6.817 2.515 13.637 29 2HB ALA 4 3HB ALA 4 -6.770 3.448 12.123 30 3HB ALA 4 1HB ALA 4 -5.486 2.269 12.481 31 HA PRO 5 HA PRO 5 -5.987 8.026 12.695 32 1HB PRO 5 1HB PRO 5 -5.444 8.482 10.055 33 2HB PRO 5 2HB PRO 5 -4.245 8.647 11.323 34 1HG PRO 5 1HG PRO 5 -4.548 6.486 9.328 35 2HG PRO 5 2HG PRO 5 -3.149 6.892 10.303 36 1HD PRO 5 1HD PRO 5 -4.970 4.719 10.735 37 2HD PRO 5 2HD PRO 5 -3.641 5.195 11.774 38 H ALA 6 H ALA 6 -7.488 9.453 11.323 39 HA ALA 6 HA ALA 6 -9.968 8.247 11.364 40 1HB ALA 6 1HB ALA 6 -8.878 10.672 9.892 41 2HB ALA 6 2HB ALA 6 -10.607 10.249 9.923 42 3HB ALA 6 3HB ALA 6 -9.758 10.633 11.439 43 H ASP 7 H ASP 7 -11.450 8.156 9.288 44 HA ASP 7 HA ASP 7 -10.075 6.345 7.518 45 1HB ASP 7 1HB ASP 7 -13.033 7.075 7.505 46 2HB ASP 7 2HB ASP 7 -12.292 5.642 6.821 47 H GLY 8 H GLY 8 -10.499 6.559 5.095 48 1HA GLY 8 1HA GLY 8 -11.001 7.756 3.196 49 2HA GLY 8 2HA GLY 8 -11.421 9.156 4.163 50 H LEU 9 H LEU 9 -8.396 7.320 4.667 51 HA LEU 9 HA LEU 9 -6.880 9.706 4.286 52 1HB LEU 9 1HB LEU 9 -6.189 8.289 6.016 53 2HB LEU 9 2HB LEU 9 -6.250 6.859 5.006 54 HG LEU 9 HG LEU 9 -3.956 7.861 5.666 55 1HD1 LEU 9 1HD1 LEU 9 -4.828 6.281 3.552 56 2HD1 LEU 9 2HD1 LEU 9 -3.765 7.487 2.787 57 3HD1 LEU 9 3HD1 LEU 9 -3.152 6.478 4.120 58 1HD2 LEU 9 3HD2 LEU 9 -4.914 9.843 3.621 59 2HD2 LEU 9 1HD2 LEU 9 -4.067 10.117 5.163 60 3HD2 LEU 9 2HD2 LEU 9 -3.182 9.458 3.766 61 H LYS 10 H LYS 10 -7.050 10.425 2.156 62 HA LYS 10 HA LYS 10 -6.355 8.502 0.077 63 1HB LYS 10 1HB LYS 10 -8.353 9.692 -0.398 64 2HB LYS 10 2HB LYS 10 -7.649 11.232 0.051 65 1HG LYS 10 1HG LYS 10 -5.915 10.744 -1.871 66 2HG LYS 10 2HG LYS 10 -7.079 9.553 -2.415 67 1HD LYS 10 1HD LYS 10 -8.699 11.771 -1.962 68 2HD LYS 10 2HD LYS 10 -7.218 12.516 -2.529 69 1HE LYS 10 1HE LYS 10 -8.634 12.043 -4.463 70 2HE LYS 10 2HE LYS 10 -7.237 10.987 -4.530 71 1HZ LYS 10 1HZ LYS 10 -8.847 9.393 -3.212 72 2HZ LYS 10 2HZ LYS 10 -10.015 10.285 -3.911 73 H MET 11 H MET 11 -4.331 8.389 -0.733 74 HA MET 11 HA MET 11 -2.591 10.641 -0.100 75 1HB MET 11 1HB MET 11 -0.739 8.953 -0.297 76 2HB MET 11 2HB MET 11 -1.918 8.462 0.904 77 1HG MET 11 1HG MET 11 -2.892 7.390 -1.537 78 2HG MET 11 2HG MET 11 -1.160 7.127 -1.596 79 1HE MET 11 2HE MET 11 0.135 5.741 -0.356 80 2HE MET 11 3HE MET 11 -0.412 4.418 0.703 81 3HE MET 11 1HE MET 11 -0.854 4.418 -1.021 82 H GLU 12 H GLU 12 -2.358 11.993 -1.833 83 HA GLU 12 HA GLU 12 -2.273 10.717 -4.451 84 1HB GLU 12 1HB GLU 12 -4.095 12.436 -3.972 85 2HB GLU 12 2HB GLU 12 -2.837 13.648 -3.834 86 1HG GLU 12 1HG GLU 12 -2.911 11.896 -6.301 87 2HG GLU 12 2HG GLU 12 -4.058 13.214 -6.166 88 H ALA 13 H ALA 13 0.055 10.189 -3.727 89 HA ALA 13 HA ALA 13 1.822 12.491 -3.788 90 1HB ALA 13 1HB ALA 13 1.827 10.087 -2.417 91 2HB ALA 13 2HB ALA 13 3.000 9.790 -3.723 92 3HB ALA 13 3HB ALA 13 3.230 11.164 -2.615 93 H THR 14 H THR 14 0.386 10.166 -5.922 94 HA THR 14 HA THR 14 2.323 10.945 -7.996 95 HB THR 14 HB THR 14 2.404 8.686 -8.775 96 HG1 THR 14 HG1 THR 14 0.125 8.387 -6.945 97 1HG2 THR 14 2HG2 THR 14 3.378 9.018 -6.342 98 2HG2 THR 14 3HG2 THR 14 1.928 8.125 -5.823 99 3HG2 THR 14 1HG2 THR 14 3.099 7.359 -6.923 100 H LYS 15 H LYS 15 1.238 10.203 -10.262 101 HA LYS 15 HA LYS 15 -0.925 11.972 -10.544 102 1HB LYS 15 1HB LYS 15 0.804 11.408 -12.276 103 2HB LYS 15 2HB LYS 15 0.030 9.851 -12.487 104 1HG LYS 15 1HG LYS 15 -1.819 10.748 -13.555 105 2HG LYS 15 2HG LYS 15 -1.795 12.220 -12.604 106 1HD LYS 15 1HD LYS 15 -0.471 13.323 -14.113 107 2HD LYS 15 2HD LYS 15 0.588 11.944 -14.337 108 1HE LYS 15 1HE LYS 15 -0.643 11.100 -16.116 109 2HE LYS 15 2HE LYS 15 -2.173 11.663 -15.471 110 1HZ LYS 15 1HZ LYS 15 -1.218 12.882 -17.497 111 2HZ LYS 15 2HZ LYS 15 -1.779 13.818 -16.289 112 H GLN 16 H GLN 16 -0.753 8.805 -9.286 113 HA GLN 16 HA GLN 16 -3.612 8.515 -9.783 114 1HB GLN 16 1HB GLN 16 -1.645 6.208 -9.474 115 2HB GLN 16 2HB GLN 16 -3.345 6.090 -9.883 116 1HG GLN 16 1HG GLN 16 -1.734 7.856 -11.675 117 2HG GLN 16 2HG GLN 16 -1.313 6.156 -11.736 118 1HE2 GLN 16 2HE2 GLN 16 -4.592 5.060 -12.810 119 2HE2 GLN 16 1HE2 GLN 16 -3.342 4.674 -11.675 120 HA PRO 17 HA PRO 17 -3.200 8.726 -5.358 121 1HB PRO 17 1HB PRO 17 -5.662 9.806 -4.870 122 2HB PRO 17 2HB PRO 17 -4.232 10.775 -5.166 123 1HG PRO 17 1HG PRO 17 -6.505 10.223 -6.975 124 2HG PRO 17 2HG PRO 17 -5.305 11.496 -7.076 125 1HD PRO 17 1HD PRO 17 -5.401 9.099 -8.649 126 2HD PRO 17 2HD PRO 17 -4.140 10.315 -8.668 127 H VAL 18 H VAL 18 -4.320 7.779 -3.463 128 HA VAL 18 HA VAL 18 -6.219 5.734 -4.295 129 HB VAL 18 HB VAL 18 -3.568 5.215 -2.945 130 1HG1 VAL 18 2HG1 VAL 18 -5.464 4.036 -1.800 131 2HG1 VAL 18 3HG1 VAL 18 -5.823 3.224 -3.342 132 3HG1 VAL 18 1HG1 VAL 18 -4.261 2.948 -2.535 133 1HG2 VAL 18 2HG2 VAL 18 -4.716 4.699 -5.632 134 2HG2 VAL 18 3HG2 VAL 18 -3.026 4.944 -5.130 135 3HG2 VAL 18 1HG2 VAL 18 -3.801 3.357 -4.904 136 H VAL 19 H VAL 19 -7.510 4.924 -2.506 137 HA VAL 19 HA VAL 19 -7.319 6.666 -0.145 138 HB VAL 19 HB VAL 19 -9.704 5.686 -1.707 139 1HG1 VAL 19 2HG1 VAL 19 -9.486 6.242 1.173 140 2HG1 VAL 19 3HG1 VAL 19 -10.756 7.180 0.352 141 3HG1 VAL 19 1HG1 VAL 19 -10.760 5.402 0.257 142 1HG2 VAL 19 1HG2 VAL 19 -8.233 8.125 -1.632 143 2HG2 VAL 19 2HG2 VAL 19 -9.714 7.750 -2.546 144 3HG2 VAL 19 3HG2 VAL 19 -9.829 8.434 -0.907 145 H PHE 20 H PHE 20 -6.645 5.525 1.590 146 HA PHE 20 HA PHE 20 -7.344 2.672 1.662 147 1HB PHE 20 1HB PHE 20 -4.905 3.442 1.667 148 2HB PHE 20 2HB PHE 20 -5.234 4.410 3.091 149 HD1 PHE 20 HD2 PHE 20 -4.934 0.943 1.819 150 HD2 PHE 20 HD1 PHE 20 -5.304 3.427 5.283 151 HE1 PHE 20 HE2 PHE 20 -4.346 -1.033 3.307 152 HE2 PHE 20 HE1 PHE 20 -4.715 1.442 6.760 153 HZ PHE 20 HZ PHE 20 -4.221 -0.790 5.650 154 H ASN 21 H ASN 21 -8.440 1.800 3.415 155 HA ASN 21 HA ASN 21 -9.260 3.772 5.401 156 1HB ASN 21 1HB ASN 21 -10.759 1.459 4.100 157 2HB ASN 21 2HB ASN 21 -11.279 2.086 5.652 158 1HD2 ASN 21 2HD2 ASN 21 -13.149 3.788 2.911 159 2HD2 ASN 21 1HD2 ASN 21 -12.886 2.155 3.425 160 H HIS 22 H HIS 22 -8.268 3.288 7.366 161 HA HIS 22 HA HIS 22 -7.001 0.832 7.816 162 1HB HIS 22 1HB HIS 22 -7.609 3.272 9.450 163 2HB HIS 22 2HB HIS 22 -7.039 1.829 10.266 164 HD1 HIS 22 HD1 HIS 22 -5.935 4.531 7.890 165 HD2 HIS 22 HD2 HIS 22 -4.337 1.132 9.759 166 HE1 HIS 22 HE1 HIS 22 -3.408 4.650 7.553 167 H SER 23 H SER 23 -10.302 1.905 8.154 168 HA SER 23 HA SER 23 -10.979 0.078 10.200 169 1HB SER 23 1HB SER 23 -13.279 0.757 9.759 170 2HB SER 23 2HB SER 23 -12.252 2.177 9.731 171 HG SER 23 HG SER 23 -12.250 1.305 7.215 172 H THR 24 H THR 24 -9.982 -0.394 7.044 173 HA THR 24 HA THR 24 -11.796 -2.665 6.603 174 HB THR 24 HB THR 24 -10.003 -0.980 4.788 175 HG1 THR 24 HG1 THR 24 -12.165 -0.209 5.373 176 1HG2 THR 24 3HG2 THR 24 -10.980 -3.737 4.431 177 2HG2 THR 24 1HG2 THR 24 -11.682 -2.628 3.229 178 3HG2 THR 24 2HG2 THR 24 -9.915 -2.781 3.374 179 H HIS 25 H HIS 25 -8.410 -1.709 7.152 180 HA HIS 25 HA HIS 25 -7.670 -4.522 6.911 181 1HB HIS 25 1HB HIS 25 -5.931 -2.045 7.080 182 2HB HIS 25 2HB HIS 25 -5.349 -3.688 6.894 183 HD1 HIS 25 HD1 HIS 25 -7.479 -1.128 5.015 184 HD2 HIS 25 HD2 HIS 25 -5.188 -4.567 4.289 185 HE1 HIS 25 HE1 HIS 25 -7.358 -1.385 2.479 186 H LYS 26 H LYS 26 -9.331 -3.686 9.111 187 HA LYS 26 HA LYS 26 -7.745 -3.125 11.379 188 1HB LYS 26 1HB LYS 26 -10.516 -4.347 11.251 189 2HB LYS 26 2HB LYS 26 -9.779 -3.560 12.632 190 1HG LYS 26 1HG LYS 26 -9.652 -1.419 11.377 191 2HG LYS 26 2HG LYS 26 -10.314 -2.194 9.951 192 1HD LYS 26 1HD LYS 26 -12.271 -1.306 10.830 193 2HD LYS 26 2HD LYS 26 -12.293 -2.868 11.624 194 1HE LYS 26 1HE LYS 26 -10.699 -1.271 13.319 195 2HE LYS 26 2HE LYS 26 -11.973 -0.187 12.797 196 1HZ LYS 26 1HZ LYS 26 -13.580 -1.980 13.453 197 2HZ LYS 26 2HZ LYS 26 -12.348 -2.829 14.096 198 H SER 27 H SER 27 -8.882 -6.114 9.760 199 HA SER 27 HA SER 27 -8.026 -7.779 11.865 200 1HB SER 27 1HB SER 27 -8.503 -9.616 10.322 201 2HB SER 27 2HB SER 27 -9.783 -8.423 10.219 202 HG SER 27 HG SER 27 -7.707 -7.914 8.423 203 H VAL 28 H VAL 28 -6.409 -6.008 9.385 204 HA VAL 28 HA VAL 28 -4.216 -7.872 9.136 205 HB VAL 28 HB VAL 28 -4.531 -5.051 8.096 206 1HG1 VAL 28 1HG1 VAL 28 -2.220 -6.326 8.227 207 2HG1 VAL 28 2HG1 VAL 28 -2.852 -7.166 6.791 208 3HG1 VAL 28 3HG1 VAL 28 -2.672 -5.396 6.778 209 1HG2 VAL 28 1HG2 VAL 28 -5.718 -7.609 7.219 210 2HG2 VAL 28 2HG2 VAL 28 -6.215 -5.933 6.882 211 3HG2 VAL 28 3HG2 VAL 28 -4.908 -6.682 5.934 212 H LYS 29 H LYS 29 -2.149 -7.619 10.035 213 HA LYS 29 HA LYS 29 -2.104 -6.162 12.481 214 1HB LYS 29 1HB LYS 29 -0.645 -8.303 11.240 215 2HB LYS 29 2HB LYS 29 0.495 -7.084 11.775 216 1HG LYS 29 1HG LYS 29 -1.099 -7.124 13.970 217 2HG LYS 29 2HG LYS 29 -1.411 -8.751 13.399 218 1HD LYS 29 1HD LYS 29 1.103 -9.129 13.291 219 2HD LYS 29 2HD LYS 29 1.328 -7.550 14.018 220 1HE LYS 29 1HE LYS 29 0.101 -8.243 16.037 221 2HE LYS 29 2HE LYS 29 -0.326 -9.775 15.302 222 1HZ LYS 29 1HZ LYS 29 1.747 -10.599 15.688 223 2HZ LYS 29 2HZ LYS 29 2.522 -9.204 15.363 224 H CYS 30 H CYS 30 -0.906 -4.309 13.029 225 HA CYS 30 HA CYS 30 -0.671 -2.421 10.986 226 1HB CYS 30 1HB CYS 30 0.745 -2.168 13.623 227 2HB CYS 30 2HB CYS 30 0.024 -0.916 12.631 228 H GLY 31 H GLY 31 1.538 -4.785 12.480 229 1HA GLY 31 1HA GLY 31 3.946 -3.634 11.434 230 2HA GLY 31 2HA GLY 31 3.744 -5.206 12.182 231 H ASP 32 H ASP 32 1.307 -5.154 9.936 232 HA ASP 32 HA ASP 32 2.803 -6.818 8.192 233 1HB ASP 32 1HB ASP 32 0.345 -7.106 8.885 234 2HB ASP 32 2HB ASP 32 -0.036 -5.757 7.834 235 H CYS 33 H CYS 33 1.439 -3.505 8.261 236 HA CYS 33 HA CYS 33 2.347 -3.098 5.514 237 1HB CYS 33 1HB CYS 33 0.193 -1.864 7.179 238 2HB CYS 33 2HB CYS 33 1.003 -0.832 6.017 239 H HIS 34 H HIS 34 2.242 -1.521 8.796 240 HA HIS 34 HA HIS 34 4.338 0.271 8.090 241 1HB HIS 34 1HB HIS 34 3.048 -0.360 10.759 242 2HB HIS 34 2HB HIS 34 4.186 0.943 10.479 243 HD1 HIS 34 HD1 HIS 34 3.357 2.959 8.946 244 HD2 HIS 34 HD2 HIS 34 0.416 0.148 9.971 245 HE1 HIS 34 HE1 HIS 34 1.111 4.050 8.419 246 H HIS 35 H HIS 35 5.527 -1.926 7.344 247 HA HIS 35 HA HIS 35 6.623 -3.681 9.055 248 1HB HIS 35 1HB HIS 35 8.443 -3.929 7.472 249 2HB HIS 35 2HB HIS 35 6.918 -3.726 6.631 250 HD1 HIS 35 HD1 HIS 35 9.945 -1.609 7.652 251 HD2 HIS 35 HD2 HIS 35 6.942 -1.753 4.726 252 HE1 HIS 35 HE1 HIS 35 10.497 0.229 5.969 253 HA PRO 36 HA PRO 36 9.237 -1.480 11.707 254 1HB PRO 36 1HB PRO 36 10.938 -3.452 12.536 255 2HB PRO 36 2HB PRO 36 9.328 -3.237 13.193 256 1HG PRO 36 1HG PRO 36 10.295 -5.286 11.296 257 2HG PRO 36 2HG PRO 36 8.845 -5.298 12.279 258 1HD PRO 36 1HD PRO 36 9.008 -4.757 9.467 259 2HD PRO 36 2HD PRO 36 7.576 -4.655 10.472 260 H VAL 37 H VAL 37 10.534 0.129 11.115 261 HA VAL 37 HA VAL 37 12.535 -0.533 9.128 262 HB VAL 37 HB VAL 37 11.489 2.016 10.349 263 1HG1 VAL 37 2HG1 VAL 37 14.111 1.584 9.270 264 2HG1 VAL 37 3HG1 VAL 37 13.189 2.610 8.145 265 3HG1 VAL 37 1HG1 VAL 37 13.372 3.097 9.847 266 1HG2 VAL 37 2HG2 VAL 37 11.021 0.479 7.881 267 2HG2 VAL 37 3HG2 VAL 37 9.996 1.684 8.698 268 3HG2 VAL 37 1HG2 VAL 37 11.304 2.216 7.614 269 H ASN 38 H ASN 38 12.569 1.388 12.217 270 HA ASN 38 HA ASN 38 15.308 0.522 12.539 271 1HB ASN 38 1HB ASN 38 13.917 2.953 13.050 272 2HB ASN 38 2HB ASN 38 14.268 2.302 14.639 273 1HD2 ASN 38 2HD2 ASN 38 17.146 4.382 13.830 274 2HD2 ASN 38 1HD2 ASN 38 15.467 4.528 14.229 275 H GLY 39 H GLY 39 13.113 -1.394 12.940 276 1HA GLY 39 1HA GLY 39 12.782 -3.089 14.424 277 2HA GLY 39 2HA GLY 39 13.720 -2.235 15.633 278 H LYS 40 H LYS 40 11.584 0.046 14.412 279 HA LYS 40 HA LYS 40 9.570 -0.648 16.437 280 1HB LYS 40 1HB LYS 40 9.332 1.711 16.926 281 2HB LYS 40 2HB LYS 40 10.998 1.221 17.155 282 1HG LYS 40 1HG LYS 40 11.527 2.079 14.833 283 2HG LYS 40 2HG LYS 40 9.875 2.651 14.700 284 1HD LYS 40 1HD LYS 40 10.193 4.383 16.227 285 2HD LYS 40 2HD LYS 40 11.396 3.502 17.147 286 1HE LYS 40 1HE LYS 40 12.815 3.755 14.872 287 2HE LYS 40 2HE LYS 40 11.744 5.119 14.624 288 1HZ LYS 40 1HZ LYS 40 12.799 5.040 17.294 289 2HZ LYS 40 2HZ LYS 40 13.983 5.148 16.180 290 H GLU 41 H GLU 41 7.363 -0.147 15.931 291 HA GLU 41 HA GLU 41 6.964 -0.097 13.064 292 1HB GLU 41 1HB GLU 41 5.379 -1.077 15.426 293 2HB GLU 41 2HB GLU 41 4.489 -0.590 13.998 294 1HG GLU 41 1HG GLU 41 5.112 -2.457 12.855 295 2HG GLU 41 2HG GLU 41 6.802 -2.231 13.261 296 H ASP 42 H ASP 42 7.479 2.236 12.901 297 HA ASP 42 HA ASP 42 5.883 4.070 14.327 298 1HB ASP 42 1HB ASP 42 6.861 5.687 12.535 299 2HB ASP 42 2HB ASP 42 7.980 4.917 13.643 300 H TYR 43 H TYR 43 3.841 4.853 13.727 301 HA TYR 43 HA TYR 43 2.716 3.841 11.250 302 1HB TYR 43 1HB TYR 43 1.622 5.548 13.574 303 2HB TYR 43 2HB TYR 43 0.630 4.770 12.356 304 HD1 TYR 43 HD1 TYR 43 2.249 2.120 12.306 305 HD2 TYR 43 HD2 TYR 43 0.633 4.486 15.483 306 HE1 TYR 43 HE1 TYR 43 2.080 0.049 13.772 307 HE2 TYR 43 HE2 TYR 43 0.469 2.407 16.938 308 HH TYR 43 HH TYR 43 0.239 -0.294 16.197 309 H ARG 44 H ARG 44 4.160 5.241 9.882 310 HA ARG 44 HA ARG 44 3.056 7.935 9.810 311 1HB ARG 44 1HB ARG 44 5.787 7.090 10.025 312 2HB ARG 44 2HB ARG 44 5.602 7.723 8.401 313 1HG ARG 44 1HG ARG 44 4.976 9.877 9.161 314 2HG ARG 44 2HG ARG 44 4.456 9.287 10.727 315 1HD ARG 44 1HD ARG 44 6.676 9.095 11.545 316 2HD ARG 44 2HD ARG 44 7.370 9.011 9.939 317 HE ARG 44 HE ARG 44 6.001 11.547 10.594 318 1HH1 ARG 44 2HH2 ARG 44 9.080 9.802 10.426 319 2HH1 ARG 44 1HH2 ARG 44 10.038 11.245 10.406 320 HH2 ARG 44 HH1 ARG 44 8.950 13.378 10.491 321 H LYS 45 H LYS 45 3.575 8.902 7.403 322 HA LYS 45 HA LYS 45 2.125 7.197 5.642 323 1HB LYS 45 1HB LYS 45 3.434 9.900 5.216 324 2HB LYS 45 2HB LYS 45 2.393 9.098 4.057 325 1HG LYS 45 1HG LYS 45 0.772 10.342 5.133 326 2HG LYS 45 2HG LYS 45 0.747 8.946 6.192 327 1HD LYS 45 1HD LYS 45 1.495 10.171 7.951 328 2HD LYS 45 2HD LYS 45 2.865 10.763 7.031 329 1HE LYS 45 1HE LYS 45 0.910 12.265 5.876 330 2HE LYS 45 2HE LYS 45 0.166 12.018 7.443 331 1HZ LYS 45 1HZ LYS 45 2.983 12.865 7.340 332 2HZ LYS 45 2HZ LYS 45 1.823 13.982 7.105 333 H CYS 46 H CYS 46 2.874 5.777 4.145 334 HA CYS 46 HA CYS 46 5.473 4.921 4.185 335 1HB CYS 46 1HB CYS 46 3.805 4.668 1.703 336 2HB CYS 46 2HB CYS 46 4.935 3.525 2.399 337 H GLY 47 H GLY 47 3.799 7.264 1.987 338 1HA GLY 47 1HA GLY 47 6.165 7.779 0.438 339 2HA GLY 47 2HA GLY 47 4.622 8.606 0.352 340 H THR 48 H THR 48 7.040 8.110 3.027 341 HA THR 48 HA THR 48 6.821 10.969 3.611 342 HB THR 48 HB THR 48 7.477 8.440 5.106 343 HG1 THR 48 HG1 THR 48 5.476 9.446 5.512 344 1HG2 THR 48 1HG2 THR 48 9.508 10.008 5.409 345 2HG2 THR 48 2HG2 THR 48 8.368 11.196 6.086 346 3HG2 THR 48 3HG2 THR 48 8.607 9.629 6.896 347 H ALA 49 H ALA 49 8.469 12.416 3.424 348 HA ALA 49 HA ALA 49 10.469 11.905 1.585 349 1HB ALA 49 3HB ALA 49 9.502 14.130 2.390 350 2HB ALA 49 1HB ALA 49 10.581 13.983 3.798 351 3HB ALA 49 2HB ALA 49 11.267 14.085 2.158 352 H GLY 50 H GLY 50 12.058 10.403 1.770 353 1HA GLY 50 1HA GLY 50 14.236 10.088 2.810 354 2HA GLY 50 2HA GLY 50 13.458 10.247 4.372 355 H CYS 51 H CYS 51 11.034 8.708 2.991 356 HA CYS 51 HA CYS 51 12.172 6.085 3.587 357 1HB CYS 51 1HB CYS 51 9.306 7.077 3.667 358 2HB CYS 51 2HB CYS 51 9.765 5.399 3.880 359 H HIS 52 H HIS 52 9.096 6.433 1.895 360 HA HIS 52 HA HIS 52 10.367 5.304 -0.473 361 1HB HIS 52 1HB HIS 52 7.497 5.293 0.492 362 2HB HIS 52 2HB HIS 52 7.997 4.681 -1.071 363 HD1 HIS 52 HD1 HIS 52 9.941 2.685 -0.902 364 HD2 HIS 52 HD2 HIS 52 7.577 3.420 2.485 365 HE1 HIS 52 HE1 HIS 52 10.140 0.612 0.573 366 H ASP 53 H ASP 53 11.226 7.555 -0.917 367 HA ASP 53 HA ASP 53 9.164 9.000 -2.373 368 1HB ASP 53 1HB ASP 53 10.123 10.014 -0.083 369 2HB ASP 53 2HB ASP 53 11.475 10.474 -1.098 370 H SER 54 H SER 54 10.117 7.700 -4.212 371 HA SER 54 HA SER 54 12.805 8.577 -4.900 372 1HB SER 54 1HB SER 54 12.288 6.089 -4.735 373 2HB SER 54 2HB SER 54 11.207 6.275 -6.102 374 HG SER 54 HG SER 54 13.723 5.704 -6.302 375 H MET 55 H MET 55 9.392 8.394 -5.962 376 HA MET 55 HA MET 55 8.304 9.270 -7.633 377 1HB MET 55 1HB MET 55 10.324 11.303 -6.807 378 2HB MET 55 2HB MET 55 9.691 11.579 -8.417 379 1HG MET 55 1HG MET 55 8.100 12.728 -7.147 380 2HG MET 55 2HG MET 55 7.330 11.157 -7.255 381 1HE MET 55 3HE MET 55 7.598 9.324 -5.678 382 2HE MET 55 1HE MET 55 7.604 9.563 -3.914 383 3HE MET 55 2HE MET 55 6.271 10.217 -4.896 384 H ASP 56 H ASP 56 10.219 7.255 -8.392 385 HA ASP 56 HA ASP 56 11.137 8.304 -10.948 386 1HB ASP 56 1HB ASP 56 12.005 5.938 -9.241 387 2HB ASP 56 2HB ASP 56 12.460 6.047 -10.929 388 H LYS 57 H LYS 57 9.531 5.529 -9.248 389 HA LYS 57 HA LYS 57 7.961 4.112 -9.891 390 1HB LYS 57 1HB LYS 57 6.835 6.109 -10.832 391 2HB LYS 57 2HB LYS 57 7.651 5.846 -12.360 392 1HG LYS 57 1HG LYS 57 6.391 3.367 -11.478 393 2HG LYS 57 2HG LYS 57 5.213 4.663 -11.471 394 1HD LYS 57 1HD LYS 57 7.025 4.485 -13.865 395 2HD LYS 57 2HD LYS 57 5.802 3.241 -13.703 396 1HE LYS 57 1HE LYS 57 4.063 4.702 -14.105 397 2HE LYS 57 2HE LYS 57 4.810 6.008 -13.207 398 1HZ LYS 57 1HZ LYS 57 6.083 6.623 -15.057 399 2HZ LYS 57 2HZ LYS 57 5.950 5.181 -15.801 400 H LYS 58 H LYS 58 9.757 5.063 -12.910 401 HA LYS 58 HA LYS 58 9.891 2.333 -13.732 402 1HB LYS 58 1HB LYS 58 10.007 4.780 -14.998 403 2HB LYS 58 2HB LYS 58 11.680 4.261 -15.051 404 1HG LYS 58 1HG LYS 58 9.592 2.202 -15.728 405 2HG LYS 58 2HG LYS 58 9.854 3.482 -16.897 406 1HD LYS 58 1HD LYS 58 12.462 2.727 -16.195 407 2HD LYS 58 2HD LYS 58 11.597 1.204 -16.190 408 1HE LYS 58 1HE LYS 58 11.860 1.190 -18.451 409 2HE LYS 58 2HE LYS 58 10.633 2.440 -18.507 410 1HZ LYS 58 1HZ LYS 58 13.433 3.211 -18.013 411 2HZ LYS 58 2HZ LYS 58 12.954 2.903 -19.538 412 H ASP 59 H ASP 59 10.823 1.987 -11.328 413 HA ASP 59 HA ASP 59 13.465 1.191 -11.759 414 1HB ASP 59 1HB ASP 59 13.553 3.778 -11.179 415 2HB ASP 59 2HB ASP 59 13.224 3.248 -9.542 416 H LYS 60 H LYS 60 11.419 -0.394 -11.095 417 HA LYS 60 HA LYS 60 10.359 -0.574 -8.642 418 1HB LYS 60 1HB LYS 60 10.417 -3.067 -8.981 419 2HB LYS 60 2HB LYS 60 9.749 -2.141 -10.311 420 1HG LYS 60 1HG LYS 60 11.640 -2.483 -11.685 421 2HG LYS 60 2HG LYS 60 12.705 -2.783 -10.327 422 1HD LYS 60 1HD LYS 60 11.497 -4.950 -9.887 423 2HD LYS 60 2HD LYS 60 10.487 -4.653 -11.288 424 1HE LYS 60 1HE LYS 60 12.257 -4.979 -12.814 425 2HE LYS 60 2HE LYS 60 13.490 -4.573 -11.637 426 1HZ LYS 60 1HZ LYS 60 12.863 -6.686 -10.460 427 2HZ LYS 60 2HZ LYS 60 11.902 -7.078 -11.715 428 H SER 61 H SER 61 11.288 -0.169 -6.703 429 HA SER 61 HA SER 61 13.348 -1.903 -5.844 430 1HB SER 61 1HB SER 61 14.328 0.299 -7.148 431 2HB SER 61 2HB SER 61 14.211 0.938 -5.521 432 HG SER 61 HG SER 61 16.040 -0.839 -6.567 433 H ALA 62 H ALA 62 14.043 -1.162 -3.467 434 HA ALA 62 HA ALA 62 11.772 -1.070 -1.920 435 1HB ALA 62 1HB ALA 62 14.255 -1.673 -1.383 436 2HB ALA 62 2HB ALA 62 14.422 0.057 -0.997 437 3HB ALA 62 3HB ALA 62 13.255 -0.946 -0.102 438 H LYS 63 H LYS 63 13.994 1.626 -2.892 439 HA LYS 63 HA LYS 63 12.545 3.599 -1.514 440 1HB LYS 63 1HB LYS 63 14.537 3.708 -3.791 441 2HB LYS 63 2HB LYS 63 13.847 5.144 -3.061 442 1HG LYS 63 1HG LYS 63 14.900 3.158 -1.105 443 2HG LYS 63 2HG LYS 63 16.119 3.855 -2.152 444 1HD LYS 63 1HD LYS 63 14.733 6.123 -1.490 445 2HD LYS 63 2HD LYS 63 14.442 5.171 -0.048 446 1HE LYS 63 1HE LYS 63 16.552 5.553 0.694 447 2HE LYS 63 2HE LYS 63 17.236 4.901 -0.782 448 1HZ LYS 63 1HZ LYS 63 16.111 7.552 -1.078 449 2HZ LYS 63 2HZ LYS 63 17.392 7.494 -0.075 450 H GLY 64 H GLY 64 11.941 1.814 -4.440 451 1HA GLY 64 1HA GLY 64 10.415 3.752 -5.835 452 2HA GLY 64 2HA GLY 64 10.400 2.016 -6.071 453 H TYR 65 H TYR 65 8.912 4.759 -4.384 454 HA TYR 65 HA TYR 65 7.284 3.476 -2.585 455 1HB TYR 65 1HB TYR 65 7.489 5.926 -2.781 456 2HB TYR 65 2HB TYR 65 7.002 5.890 -4.464 457 HD1 TYR 65 HD1 TYR 65 5.659 5.006 -1.072 458 HD2 TYR 65 HD2 TYR 65 4.814 6.467 -5.003 459 HE1 TYR 65 HE1 TYR 65 3.253 5.463 -0.392 460 HE2 TYR 65 HE2 TYR 65 2.410 6.919 -4.310 461 HH TYR 65 HH TYR 65 1.424 7.221 -1.322 462 H TYR 66 H TYR 66 6.869 3.914 -6.134 463 HA TYR 66 HA TYR 66 4.222 2.818 -6.097 464 1HB TYR 66 1HB TYR 66 4.751 4.363 -7.868 465 2HB TYR 66 2HB TYR 66 6.373 3.727 -8.055 466 HD1 TYR 66 HD1 TYR 66 6.653 1.420 -9.146 467 HD2 TYR 66 HD2 TYR 66 2.992 3.630 -9.268 468 HE1 TYR 66 HE1 TYR 66 5.872 0.032 -11.128 469 HE2 TYR 66 HE2 TYR 66 2.223 2.235 -11.249 470 HH TYR 66 HH TYR 66 2.913 -0.320 -12.026 471 H HIS 67 H HIS 67 7.186 1.411 -5.520 472 HA HIS 67 HA HIS 67 6.534 -0.993 -7.041 473 1HB HIS 67 1HB HIS 67 8.716 -0.739 -7.523 474 2HB HIS 67 2HB HIS 67 9.018 0.294 -6.140 475 HD1 HIS 67 HD1 HIS 67 9.383 -3.190 -7.341 476 HD2 HIS 67 HD2 HIS 67 9.562 -1.160 -3.674 477 HE1 HIS 67 HE1 HIS 67 10.523 -4.777 -5.700 478 H VAL 68 H VAL 68 6.241 0.461 -3.942 479 HA VAL 68 HA VAL 68 6.160 -2.154 -2.629 480 HB VAL 68 HB VAL 68 5.961 -0.618 -0.571 481 1HG1 VAL 68 1HG1 VAL 68 7.984 -1.961 -1.422 482 2HG1 VAL 68 2HG1 VAL 68 8.595 -0.406 -2.037 483 3HG1 VAL 68 3HG1 VAL 68 8.297 -0.619 -0.295 484 1HG2 VAL 68 2HG2 VAL 68 5.455 1.437 -1.917 485 2HG2 VAL 68 3HG2 VAL 68 6.806 1.626 -0.773 486 3HG2 VAL 68 1HG2 VAL 68 7.133 1.402 -2.508 487 H MET 69 H MET 69 4.164 -0.480 -4.521 488 HA MET 69 HA MET 69 1.889 -0.891 -2.736 489 1HB MET 69 1HB MET 69 2.191 1.007 -5.132 490 2HB MET 69 2HB MET 69 0.736 0.847 -4.168 491 1HG MET 69 1HG MET 69 3.428 1.626 -2.957 492 2HG MET 69 2HG MET 69 2.286 2.812 -3.558 493 1HE MET 69 1HE MET 69 3.646 2.456 -1.007 494 2HE MET 69 2HE MET 69 2.416 3.009 0.155 495 3HE MET 69 3HE MET 69 2.979 1.321 0.190 496 H HIS 70 H HIS 70 3.552 -1.934 -5.557 497 HA HIS 70 HA HIS 70 1.193 -3.473 -6.325 498 1HB HIS 70 1HB HIS 70 3.096 -2.350 -8.381 499 2HB HIS 70 2HB HIS 70 1.534 -3.102 -8.638 500 HD1 HIS 70 HD1 HIS 70 3.028 0.094 -7.175 501 HD2 HIS 70 HD2 HIS 70 -0.603 -1.357 -8.694 502 HE1 HIS 70 HE1 HIS 70 1.468 2.106 -7.342 503 H ASP 71 H ASP 71 4.731 -3.081 -7.095 504 HA ASP 71 HA ASP 71 5.354 -5.501 -7.876 505 1HB ASP 71 1HB ASP 71 6.774 -3.347 -6.921 506 2HB ASP 71 2HB ASP 71 7.129 -4.525 -5.673 507 H LYS 72 H LYS 72 5.189 -7.602 -7.053 508 HA LYS 72 HA LYS 72 4.430 -7.856 -4.251 509 1HB LYS 72 1HB LYS 72 4.383 -9.996 -6.389 510 2HB LYS 72 2HB LYS 72 3.565 -10.005 -4.840 511 1HG LYS 72 1HG LYS 72 1.764 -9.069 -5.849 512 2HG LYS 72 2HG LYS 72 2.704 -7.608 -6.076 513 1HD LYS 72 1HD LYS 72 3.678 -9.003 -8.174 514 2HD LYS 72 2HD LYS 72 2.139 -9.828 -8.032 515 1HE LYS 72 1HE LYS 72 0.894 -7.773 -8.336 516 2HE LYS 72 2HE LYS 72 2.326 -6.787 -8.113 517 1HZ LYS 72 1HZ LYS 72 3.176 -8.101 -10.177 518 2HZ LYS 72 2HZ LYS 72 1.604 -8.426 -10.450 519 H ASN 73 H ASN 73 7.033 -8.539 -6.559 520 HA ASN 73 HA ASN 73 8.324 -10.430 -4.950 521 1HB ASN 73 1HB ASN 73 10.303 -9.930 -6.449 522 2HB ASN 73 2HB ASN 73 8.835 -10.266 -7.345 523 1HD2 ASN 73 2HD2 ASN 73 8.403 -7.062 -8.706 524 2HD2 ASN 73 1HD2 ASN 73 7.688 -8.595 -8.337 525 H THR 74 H THR 74 7.900 -8.906 -2.916 526 HA THR 74 HA THR 74 10.310 -7.260 -2.555 527 HB THR 74 HB THR 74 8.826 -5.670 -1.257 528 HG1 THR 74 HG1 THR 74 7.108 -7.195 -0.826 529 1HG2 THR 74 2HG2 THR 74 9.136 -5.697 -3.980 530 2HG2 THR 74 3HG2 THR 74 7.375 -5.929 -3.871 531 3HG2 THR 74 1HG2 THR 74 8.131 -4.495 -3.136 532 H LYS 75 H LYS 75 11.029 -7.057 -0.320 533 HA LYS 75 HA LYS 75 10.950 -9.558 0.962 534 1HB LYS 75 1HB LYS 75 12.897 -8.106 1.055 535 2HB LYS 75 2HB LYS 75 11.981 -6.857 1.873 536 1HG LYS 75 1HG LYS 75 12.015 -7.956 3.905 537 2HG LYS 75 2HG LYS 75 11.881 -9.543 3.174 538 1HD LYS 75 1HD LYS 75 14.085 -9.680 3.863 539 2HD LYS 75 2HD LYS 75 14.358 -8.957 2.291 540 1HE LYS 75 1HE LYS 75 15.380 -7.219 3.332 541 2HE LYS 75 2HE LYS 75 13.826 -6.758 3.997 542 1HZ LYS 75 1HZ LYS 75 15.930 -8.376 5.272 543 2HZ LYS 75 2HZ LYS 75 15.114 -7.108 5.886 544 H PHE 76 H PHE 76 8.967 -6.647 1.145 545 HA PHE 76 HA PHE 76 7.596 -7.810 3.475 546 1HB PHE 76 1HB PHE 76 7.864 -4.969 2.310 547 2HB PHE 76 2HB PHE 76 6.814 -5.342 3.663 548 HD1 PHE 76 HD2 PHE 76 8.062 -6.633 5.674 549 HD2 PHE 76 HD1 PHE 76 9.974 -4.126 2.782 550 HE1 PHE 76 HE2 PHE 76 9.999 -6.251 7.275 551 HE2 PHE 76 HE1 PHE 76 11.905 -3.753 4.393 552 HZ PHE 76 HZ PHE 76 11.833 -4.902 6.659 553 H LYS 77 H LYS 77 5.224 -7.583 3.524 554 HA LYS 77 HA LYS 77 4.086 -8.367 1.082 555 1HB LYS 77 1HB LYS 77 3.029 -7.675 3.812 556 2HB LYS 77 2HB LYS 77 1.916 -7.919 2.481 557 1HG LYS 77 1HG LYS 77 2.884 -10.167 2.049 558 2HG LYS 77 2HG LYS 77 4.064 -9.923 3.322 559 1HD LYS 77 1HD LYS 77 2.124 -9.624 4.956 560 2HD LYS 77 2HD LYS 77 1.035 -10.082 3.662 561 1HE LYS 77 1HE LYS 77 2.946 -12.114 3.571 562 2HE LYS 77 2HE LYS 77 2.843 -11.778 5.288 563 1HZ LYS 77 1HZ LYS 77 0.622 -12.567 3.494 564 2HZ LYS 77 2HZ LYS 77 1.151 -13.350 4.820 565 H SER 78 H SER 78 3.297 -7.214 -0.604 566 HA SER 78 HA SER 78 3.249 -4.340 -0.236 567 1HB SER 78 1HB SER 78 3.593 -4.139 -2.565 568 2HB SER 78 2HB SER 78 4.558 -5.535 -2.127 569 HG SER 78 HG SER 78 3.214 -5.855 -4.055 570 H CYS 79 H CYS 79 1.413 -3.085 -1.207 571 HA CYS 79 HA CYS 79 -0.998 -3.777 -0.287 572 1HB CYS 79 1HB CYS 79 -0.541 -2.250 -2.857 573 2HB CYS 79 2HB CYS 79 -1.976 -2.191 -1.853 574 H VAL 80 H VAL 80 -0.093 -4.074 -3.808 575 HA VAL 80 HA VAL 80 -2.256 -5.753 -4.406 576 HB VAL 80 HB VAL 80 0.378 -5.273 -5.812 577 1HG1 VAL 80 3HG1 VAL 80 -2.096 -6.787 -6.630 578 2HG1 VAL 80 1HG1 VAL 80 -1.082 -5.977 -7.849 579 3HG1 VAL 80 2HG1 VAL 80 -0.383 -7.238 -6.806 580 1HG2 VAL 80 3HG2 VAL 80 -1.205 -3.305 -5.360 581 2HG2 VAL 80 1HG2 VAL 80 -0.698 -3.576 -7.045 582 3HG2 VAL 80 2HG2 VAL 80 -2.316 -4.089 -6.509 583 H GLY 81 H GLY 81 1.113 -6.344 -3.338 584 1HA GLY 81 1HA GLY 81 1.401 -9.016 -3.892 585 2HA GLY 81 2HA GLY 81 2.079 -8.194 -2.500 586 H CYS 82 H CYS 82 0.137 -7.605 -0.778 587 HA CYS 82 HA CYS 82 -0.612 -10.085 0.249 588 1HB CYS 82 1HB CYS 82 -0.224 -8.075 1.633 589 2HB CYS 82 2HB CYS 82 -1.662 -7.327 0.967 590 H HIS 83 H HIS 83 -2.384 -7.486 -1.546 591 HA HIS 83 HA HIS 83 -4.911 -8.533 -1.386 592 1HB HIS 83 1HB HIS 83 -3.482 -6.827 -3.405 593 2HB HIS 83 2HB HIS 83 -5.115 -7.371 -3.732 594 HD1 HIS 83 HD1 HIS 83 -6.082 -4.965 -3.552 595 HD2 HIS 83 HD2 HIS 83 -4.194 -6.318 -0.059 596 HE1 HIS 83 HE1 HIS 83 -6.712 -3.313 -1.713 597 H VAL 84 H VAL 84 -2.239 -9.303 -3.686 598 HA VAL 84 HA VAL 84 -3.689 -10.962 -5.367 599 HB VAL 84 HB VAL 84 -0.783 -10.994 -4.535 600 1HG1 VAL 84 2HG1 VAL 84 -1.707 -13.153 -5.581 601 2HG1 VAL 84 3HG1 VAL 84 -1.891 -12.202 -7.074 602 3HG1 VAL 84 1HG1 VAL 84 -0.281 -12.412 -6.345 603 1HG2 VAL 84 3HG2 VAL 84 -2.251 -9.103 -5.992 604 2HG2 VAL 84 1HG2 VAL 84 -0.480 -9.254 -5.904 605 3HG2 VAL 84 2HG2 VAL 84 -1.377 -10.051 -7.219 606 H GLU 85 H GLU 85 -2.173 -11.543 -2.171 607 HA GLU 85 HA GLU 85 -2.588 -14.335 -2.316 608 1HB GLU 85 1HB GLU 85 -1.500 -12.377 -0.377 609 2HB GLU 85 2HB GLU 85 -2.305 -13.735 0.383 610 1HG GLU 85 1HG GLU 85 -0.682 -14.726 -1.809 611 2HG GLU 85 2HG GLU 85 0.304 -13.674 -0.812 612 H VAL 86 H VAL 86 -4.416 -11.505 -1.147 613 HA VAL 86 HA VAL 86 -6.317 -13.061 0.305 614 HB VAL 86 HB VAL 86 -6.361 -10.205 -0.690 615 1HG1 VAL 86 1HG1 VAL 86 -8.211 -11.769 1.104 616 2HG1 VAL 86 2HG1 VAL 86 -8.015 -10.012 1.309 617 3HG1 VAL 86 3HG1 VAL 86 -8.602 -10.667 -0.239 618 1HG2 VAL 86 3HG2 VAL 86 -4.524 -11.040 0.972 619 2HG2 VAL 86 1HG2 VAL 86 -5.407 -9.534 1.319 620 3HG2 VAL 86 2HG2 VAL 86 -5.853 -11.040 2.156 621 H ALA 87 H ALA 87 -6.350 -11.259 -2.851 622 HA ALA 87 HA ALA 87 -8.910 -12.210 -3.557 623 1HB ALA 87 3HB ALA 87 -6.656 -10.714 -4.833 624 2HB ALA 87 1HB ALA 87 -7.835 -11.489 -5.919 625 3HB ALA 87 2HB ALA 87 -8.383 -10.297 -4.715 626 H GLY 88 H GLY 88 -5.549 -13.349 -4.095 627 1HA GLY 88 1HA GLY 88 -4.758 -15.174 -5.186 628 2HA GLY 88 2HA GLY 88 -5.972 -15.990 -4.222 629 H ALA 89 H ALA 89 -6.987 -17.469 -5.517 630 HA ALA 89 HA ALA 89 -7.660 -16.615 -8.240 631 1HB ALA 89 2HB ALA 89 -6.393 -18.899 -7.267 632 2HB ALA 89 3HB ALA 89 -8.063 -19.441 -7.558 633 3HB ALA 89 1HB ALA 89 -7.121 -18.711 -8.880 634 H ASP 90 H ASP 90 -9.306 -15.287 -6.720 635 HA ASP 90 HA ASP 90 -11.614 -17.014 -6.311 636 1HB ASP 90 1HB ASP 90 -10.491 -15.312 -4.519 637 2HB ASP 90 2HB ASP 90 -11.548 -14.171 -5.325 638 H ALA 91 H ALA 91 -10.162 -14.496 -8.226 639 HA ALA 91 HA ALA 91 -10.864 -13.236 -9.903 640 1HB ALA 91 2HB ALA 91 -12.436 -15.663 -10.003 641 2HB ALA 91 3HB ALA 91 -13.407 -14.292 -10.590 642 3HB ALA 91 1HB ALA 91 -11.837 -14.657 -11.344 643 H ALA 92 H ALA 92 -12.263 -11.419 -10.433 644 HA ALA 92 HA ALA 92 -13.820 -9.863 -10.036 645 1HB ALA 92 2HB ALA 92 -15.135 -11.992 -9.095 646 2HB ALA 92 3HB ALA 92 -14.850 -11.172 -7.541 647 3HB ALA 92 1HB ALA 92 -15.736 -10.336 -8.839 648 H LYS 93 H LYS 93 -12.442 -11.278 -6.989 649 HA LYS 93 HA LYS 93 -12.248 -8.753 -5.729 650 1HB LYS 93 1HB LYS 93 -11.048 -11.468 -5.134 651 2HB LYS 93 2HB LYS 93 -10.791 -10.066 -4.115 652 1HG LYS 93 1HG LYS 93 -13.383 -9.828 -4.072 653 2HG LYS 93 2HG LYS 93 -13.431 -11.441 -4.753 654 1HD LYS 93 1HD LYS 93 -11.583 -11.332 -2.479 655 2HD LYS 93 2HD LYS 93 -13.172 -10.756 -2.015 656 1HE LYS 93 1HE LYS 93 -14.205 -12.833 -2.954 657 2HE LYS 93 2HE LYS 93 -12.620 -13.408 -3.431 658 1HZ LYS 93 1HZ LYS 93 -12.235 -12.871 -0.821 659 2HZ LYS 93 2HZ LYS 93 -13.793 -13.340 -0.787 660 H LYS 94 H LYS 94 -10.016 -10.817 -7.654 661 HA LYS 94 HA LYS 94 -7.743 -9.231 -7.196 662 1HB LYS 94 1HB LYS 94 -6.690 -10.585 -8.793 663 2HB LYS 94 2HB LYS 94 -7.876 -11.633 -8.040 664 1HG LYS 94 1HG LYS 94 -9.442 -10.732 -10.027 665 2HG LYS 94 2HG LYS 94 -7.903 -10.410 -10.801 666 1HD LYS 94 1HD LYS 94 -7.228 -12.807 -10.388 667 2HD LYS 94 2HD LYS 94 -8.808 -13.111 -9.693 668 1HE LYS 94 1HE LYS 94 -9.426 -13.675 -11.820 669 2HE LYS 94 2HE LYS 94 -9.515 -11.948 -12.099 670 1HZ LYS 94 1HZ LYS 94 -7.207 -13.712 -12.696 671 2HZ LYS 94 2HZ LYS 94 -8.094 -12.860 -13.764 672 H LYS 95 H LYS 95 -10.659 -8.550 -8.812 673 HA LYS 95 HA LYS 95 -9.345 -6.719 -10.672 674 1HB LYS 95 1HB LYS 95 -11.486 -8.441 -10.991 675 2HB LYS 95 2HB LYS 95 -12.275 -6.896 -10.747 676 1HG LYS 95 1HG LYS 95 -11.246 -5.913 -12.637 677 2HG LYS 95 2HG LYS 95 -9.914 -7.052 -12.635 678 1HD LYS 95 1HD LYS 95 -12.558 -8.347 -12.993 679 2HD LYS 95 2HD LYS 95 -12.171 -7.206 -14.265 680 1HE LYS 95 1HE LYS 95 -9.879 -8.370 -14.452 681 2HE LYS 95 2HE LYS 95 -10.508 -9.608 -13.383 682 1HZ LYS 95 1HZ LYS 95 -11.531 -8.902 -16.073 683 2HZ LYS 95 2HZ LYS 95 -10.937 -10.338 -15.587 684 H ASP 96 H ASP 96 -10.771 -6.884 -7.541 685 HA ASP 96 HA ASP 96 -11.164 -3.995 -7.635 686 1HB ASP 96 1HB ASP 96 -12.831 -6.165 -6.602 687 2HB ASP 96 2HB ASP 96 -12.421 -5.056 -5.308 688 H LEU 97 H LEU 97 -8.997 -6.322 -6.810 689 HA LEU 97 HA LEU 97 -8.212 -4.939 -4.340 690 1HB LEU 97 1HB LEU 97 -8.151 -7.879 -4.997 691 2HB LEU 97 2HB LEU 97 -7.158 -7.179 -3.734 692 HG LEU 97 HG LEU 97 -10.153 -7.451 -3.850 693 1HD1 LEU 97 3HD1 LEU 97 -8.320 -9.076 -2.770 694 2HD1 LEU 97 1HD1 LEU 97 -8.549 -7.964 -1.399 695 3HD1 LEU 97 2HD1 LEU 97 -9.942 -8.843 -2.074 696 1HD2 LEU 97 2HD2 LEU 97 -8.580 -5.348 -2.425 697 2HD2 LEU 97 3HD2 LEU 97 -10.202 -5.276 -3.155 698 3HD2 LEU 97 1HD2 LEU 97 -9.966 -6.089 -1.590 699 H THR 98 H THR 98 -7.163 -6.819 -7.245 700 HA THR 98 HA THR 98 -4.632 -5.313 -7.115 701 HB THR 98 HB THR 98 -3.520 -7.300 -7.923 702 HG1 THR 98 HG1 THR 98 -6.264 -8.318 -8.165 703 1HG2 THR 98 2HG2 THR 98 -5.744 -8.259 -6.044 704 2HG2 THR 98 3HG2 THR 98 -4.224 -9.122 -6.378 705 3HG2 THR 98 1HG2 THR 98 -4.193 -7.565 -5.516 706 H GLY 99 H GLY 99 -7.520 -5.129 -8.511 707 1HA GLY 99 1HA GLY 99 -7.097 -5.302 -11.267 708 2HA GLY 99 2HA GLY 99 -8.288 -4.306 -10.454 709 H CYS 100 H CYS 100 -6.591 -3.706 -12.856 710 HA CYS 100 HA CYS 100 -4.734 -1.732 -11.878 711 1HB CYS 100 1HB CYS 100 -5.377 -2.950 -14.520 712 2HB CYS 100 2HB CYS 100 -4.691 -1.338 -14.519 713 H LYS 101 H LYS 101 -7.639 -1.849 -14.080 714 HA LYS 101 HA LYS 101 -8.221 0.897 -13.210 715 1HB LYS 101 1HB LYS 101 -7.503 0.977 -15.495 716 2HB LYS 101 2HB LYS 101 -8.524 -0.376 -15.939 717 1HG LYS 101 1HG LYS 101 -9.810 2.067 -14.701 718 2HG LYS 101 2HG LYS 101 -9.313 2.138 -16.380 719 1HD LYS 101 1HD LYS 101 -10.760 -0.358 -15.731 720 2HD LYS 101 2HD LYS 101 -11.722 1.074 -15.425 721 1HE LYS 101 1HE LYS 101 -12.209 0.884 -17.668 722 2HE LYS 101 2HE LYS 101 -10.710 1.772 -17.851 723 1HZ LYS 101 1HZ LYS 101 -9.836 -0.004 -18.882 724 2HZ LYS 101 2HZ LYS 101 -10.116 -0.976 -17.606 725 H LYS 102 H LYS 102 -10.273 1.316 -12.447 726 HA LYS 102 HA LYS 102 -12.373 0.959 -11.838 727 1HB LYS 102 1HB LYS 102 -12.141 -0.714 -14.183 728 2HB LYS 102 2HB LYS 102 -13.174 -1.491 -13.000 729 1HG LYS 102 1HG LYS 102 -14.145 1.044 -12.799 730 2HG LYS 102 2HG LYS 102 -13.563 1.111 -14.450 731 1HD LYS 102 1HD LYS 102 -14.833 -1.290 -14.562 732 2HD LYS 102 2HD LYS 102 -15.772 -0.555 -13.278 733 1HE LYS 102 1HE LYS 102 -15.731 1.538 -15.026 734 2HE LYS 102 2HE LYS 102 -15.574 0.221 -16.172 735 1HZ LYS 102 1HZ LYS 102 -17.915 1.051 -15.029 736 2HZ LYS 102 2HZ LYS 102 -17.713 -0.354 -15.828 737 H SER 103 H SER 103 -10.388 0.361 -10.093 738 HA SER 103 HA SER 103 -11.358 -2.129 -8.922 739 1HB SER 103 1HB SER 103 -8.882 -1.831 -7.778 740 2HB SER 103 2HB SER 103 -9.207 -2.833 -9.179 741 HG SER 103 HG SER 103 -8.475 -0.037 -9.359 742 H LYS 104 H LYS 104 -10.299 -1.969 -6.377 743 HA LYS 104 HA LYS 104 -11.878 0.126 -5.252 744 1HB LYS 104 1HB LYS 104 -10.147 -2.058 -4.072 745 2HB LYS 104 2HB LYS 104 -10.988 -0.878 -3.088 746 1HG LYS 104 1HG LYS 104 -12.553 -2.358 -5.208 747 2HG LYS 104 2HG LYS 104 -12.136 -3.208 -3.734 748 1HD LYS 104 1HD LYS 104 -13.085 -0.646 -2.909 749 2HD LYS 104 2HD LYS 104 -14.189 -1.183 -4.160 750 1HE LYS 104 1HE LYS 104 -13.881 -3.510 -2.693 751 2HE LYS 104 2HE LYS 104 -13.729 -2.299 -1.436 752 1HZ LYS 104 1HZ LYS 104 -16.077 -3.112 -2.776 753 2HZ LYS 104 2HZ LYS 104 -15.949 -2.089 -1.516 754 H CYS 105 H CYS 105 -8.456 -0.445 -6.005 755 HA CYS 105 HA CYS 105 -7.581 1.731 -4.367 756 1HB CYS 105 1HB CYS 105 -6.094 0.134 -6.479 757 2HB CYS 105 2HB CYS 105 -5.369 1.290 -5.381 758 H HIS 106 H HIS 106 -7.547 1.018 -7.945 759 HA HIS 106 HA HIS 106 -7.606 3.903 -8.388 760 1HB HIS 106 1HB HIS 106 -6.863 1.629 -10.250 761 2HB HIS 106 2HB HIS 106 -6.869 3.326 -10.688 762 HD1 HIS 106 HD1 HIS 106 -5.371 4.731 -8.529 763 HD2 HIS 106 HD2 HIS 106 -4.275 0.901 -9.842 764 HE1 HIS 106 HE1 HIS 106 -2.919 4.432 -7.892 765 H GLU 107 H GLU 107 -9.178 4.857 -9.780 766 HA GLU 107 HA GLU 107 -11.435 3.078 -10.287 767 1HB GLU 107 1HB GLU 107 -12.929 4.995 -9.885 768 2HB GLU 107 2HB GLU 107 -11.919 4.701 -8.483 769 1HG GLU 107 1HG GLU 107 -10.424 6.539 -9.077 770 2HG GLU 107 2HG GLU 107 -11.198 6.739 -10.637 771 HHA HEC 108 HHA HEC 108 -0.804 6.610 7.326 772 HHB HEC 108 HHB HEC 108 -1.590 4.078 13.163 773 HHC HEC 108 HHC HEC 108 -2.731 -1.648 10.514 774 HHD HEC 108 HHD HEC 108 -1.095 0.757 4.729 775 1HMA HEC 108 1HMA HEC 108 0.024 6.614 13.009 776 2HMA HEC 108 2HMA HEC 108 -1.248 7.741 12.479 777 3HMA HEC 108 3HMA HEC 108 -1.689 6.224 13.299 778 1HAA HEC 108 1HAA HEC 108 -0.620 8.566 10.584 779 2HAA HEC 108 2HAA HEC 108 0.516 7.985 9.344 780 1HBA HEC 108 1HBA HEC 108 -0.775 8.855 7.774 781 2HBA HEC 108 2HBA HEC 108 -2.108 7.783 8.267 782 1HMB HEC 108 1HMB HEC 108 -1.476 2.261 14.821 783 2HMB HEC 108 2HMB HEC 108 -3.212 2.587 14.598 784 3HMB HEC 108 3HMB HEC 108 -2.666 0.962 15.079 785 HAB HEC 108 HAB HEC 108 -3.185 -1.784 12.424 786 1HBB HEC 108 1HBB HEC 108 -4.382 0.183 14.224 787 2HBB HEC 108 2HBB HEC 108 -5.036 -1.342 13.581 788 3HBB HEC 108 3HBB HEC 108 -3.992 -1.359 15.022 789 1HMC HEC 108 1HMC HEC 108 -3.538 -3.300 7.648 790 2HMC HEC 108 2HMC HEC 108 -1.812 -3.732 7.689 791 3HMC HEC 108 3HMC HEC 108 -2.627 -3.177 9.171 792 HAC HEC 108 HAC HEC 108 -1.967 -1.134 4.426 793 1HBC HEC 108 1HBC HEC 108 -3.716 -2.724 5.620 794 2HBC HEC 108 2HBC HEC 108 -3.040 -3.101 4.017 795 3HBC HEC 108 3HBC HEC 108 -2.386 -3.896 5.470 796 1HMD HEC 108 1HMD HEC 108 -1.373 2.842 2.938 797 2HMD HEC 108 2HMD HEC 108 0.085 3.863 2.900 798 3HMD HEC 108 3HMD HEC 108 0.206 2.156 3.391 799 1HAD HEC 108 1HAD HEC 108 -0.556 6.799 5.319 800 2HAD HEC 108 2HAD HEC 108 0.891 6.025 4.631 801 1HBD HEC 108 1HBD HEC 108 -1.360 5.230 3.073 802 2HBD HEC 108 2HBD HEC 108 -1.419 6.996 3.293 803 HHA HEC 109 HHA HEC 109 11.694 -2.358 1.732 804 HHB HEC 109 HHB HEC 109 5.333 -1.624 1.396 805 HHC HEC 109 HHC HEC 109 5.683 3.271 5.521 806 HHD HEC 109 HHD HEC 109 12.147 3.187 4.920 807 1HMA HEC 109 1HMA HEC 109 7.324 -4.375 -0.364 808 2HMA HEC 109 2HMA HEC 109 6.153 -4.125 0.953 809 3HMA HEC 109 3HMA HEC 109 6.181 -3.013 -0.436 810 1HAA HEC 109 1HAA HEC 109 10.936 -3.998 0.823 811 2HAA HEC 109 2HAA HEC 109 9.469 -4.897 0.366 812 1HBA HEC 109 1HBA HEC 109 9.327 -3.658 -1.718 813 2HBA HEC 109 2HBA HEC 109 10.741 -2.680 -1.258 814 1HMB HEC 109 1HMB HEC 109 3.351 -0.642 1.559 815 2HMB HEC 109 2HMB HEC 109 3.043 -1.317 3.177 816 3HMB HEC 109 3HMB HEC 109 2.356 0.262 2.725 817 HAB HEC 109 HAB HEC 109 3.777 2.724 5.410 818 1HBB HEC 109 1HBB HEC 109 2.763 0.230 5.507 819 2HBB HEC 109 2HBB HEC 109 1.927 1.669 6.140 820 3HBB HEC 109 3HBB HEC 109 1.512 1.036 4.528 821 1HMC HEC 109 1HMC HEC 109 7.090 4.656 7.523 822 2HMC HEC 109 2HMC HEC 109 8.150 5.958 6.933 823 3HMC HEC 109 3HMC HEC 109 6.726 5.470 5.983 824 HAC HEC 109 HAC HEC 109 11.709 4.738 6.028 825 1HBC HEC 109 1HBC HEC 109 9.676 5.318 8.191 826 2HBC HEC 109 2HBC HEC 109 11.081 4.229 8.276 827 3HBC HEC 109 3HBC HEC 109 11.325 5.988 8.155 828 1HMD HEC 109 1HMD HEC 109 14.002 2.676 4.328 829 2HMD HEC 109 2HMD HEC 109 14.628 1.151 5.001 830 3HMD HEC 109 3HMD HEC 109 14.987 1.594 3.314 831 1HAD HEC 109 1HAD HEC 109 13.643 -2.086 2.239 832 2HAD HEC 109 2HAD HEC 109 14.406 -0.654 1.506 833 1HBD HEC 109 1HBD HEC 109 14.953 -0.718 4.333 834 2HBD HEC 109 2HBD HEC 109 15.392 -2.270 3.581 835 HHA HEC 110 HHA HEC 110 -10.231 -4.699 0.866 836 HHB HEC 110 HHB HEC 110 -6.344 0.084 -0.904 837 HHC HEC 110 HHC HEC 110 -1.461 -2.819 2.060 838 HHD HEC 110 HHD HEC 110 -5.211 -7.895 3.254 839 1HMA HEC 110 1HMA HEC 110 -8.661 0.793 -0.840 840 2HMA HEC 110 2HMA HEC 110 -8.585 -0.099 -2.379 841 3HMA HEC 110 3HMA HEC 110 -10.118 -0.004 -1.479 842 1HAA HEC 110 1HAA HEC 110 -11.209 -2.053 -1.501 843 2HAA HEC 110 2HAA HEC 110 -11.242 -3.528 -0.506 844 1HBA HEC 110 1HBA HEC 110 -11.217 -1.455 1.351 845 2HBA HEC 110 2HBA HEC 110 -12.287 -0.879 0.050 846 1HMB HEC 110 1HMB HEC 110 -4.658 1.029 -1.481 847 2HMB HEC 110 2HMB HEC 110 -3.759 1.784 -0.143 848 3HMB HEC 110 3HMB HEC 110 -2.878 1.019 -1.487 849 HAB HEC 110 HAB HEC 110 -0.753 -1.147 1.240 850 1HBB HEC 110 1HBB HEC 110 -0.920 1.546 0.094 851 2HBB HEC 110 2HBB HEC 110 -2.025 1.270 1.461 852 3HBB HEC 110 3HBB HEC 110 -0.278 0.994 1.659 853 1HMC HEC 110 1HMC HEC 110 -0.187 -4.579 2.181 854 2HMC HEC 110 2HMC HEC 110 -0.359 -5.125 3.867 855 3HMC HEC 110 3HMC HEC 110 -0.115 -6.315 2.566 856 HAC HEC 110 HAC HEC 110 -3.292 -8.113 4.292 857 1HBC HEC 110 1HBC HEC 110 -1.225 -8.517 5.189 858 2HBC HEC 110 2HBC HEC 110 -0.356 -7.906 3.761 859 3HBC HEC 110 3HBC HEC 110 -1.117 -6.765 4.896 860 1HMD HEC 110 1HMD HEC 110 -6.937 -9.285 3.003 861 2HMD HEC 110 2HMD HEC 110 -7.769 -8.566 4.402 862 3HMD HEC 110 3HMD HEC 110 -8.716 -9.261 3.064 863 1HAD HEC 110 1HAD HEC 110 -10.422 -8.066 2.669 864 2HAD HEC 110 2HAD HEC 110 -10.918 -6.358 2.591 865 1HBD HEC 110 1HBD HEC 110 -11.621 -6.589 0.500 866 2HBD HEC 110 2HBD HEC 110 -10.081 -7.320 -0.012 867 HHA HEC 111 HHA HEC 111 0.582 5.471 -7.562 868 HHB HEC 111 HHB HEC 111 -0.541 2.069 -12.879 869 HHC HEC 111 HHC HEC 111 -3.238 -2.568 -9.375 870 HHD HEC 111 HHD HEC 111 -2.852 1.262 -4.159 871 1HMA HEC 111 1HMA HEC 111 0.189 3.969 -13.430 872 2HMA HEC 111 2HMA HEC 111 0.935 5.482 -12.862 873 3HMA HEC 111 3HMA HEC 111 1.887 3.978 -12.898 874 1HAA HEC 111 1HAA HEC 111 0.798 6.918 -10.543 875 2HAA HEC 111 2HAA HEC 111 1.540 6.361 -9.024 876 1HBA HEC 111 1HBA HEC 111 3.535 5.996 -9.987 877 2HBA HEC 111 2HBA HEC 111 2.820 5.349 -11.483 878 1HMB HEC 111 1HMB HEC 111 -1.895 -0.551 -14.362 879 2HMB HEC 111 2HMB HEC 111 -0.434 0.382 -13.959 880 3HMB HEC 111 3HMB HEC 111 -0.407 -1.395 -13.869 881 HAB HEC 111 HAB HEC 111 -3.346 -3.095 -11.442 882 1HBB HEC 111 1HBB HEC 111 -1.324 -4.496 -12.619 883 2HBB HEC 111 2HBB HEC 111 -0.421 -3.350 -11.599 884 3HBB HEC 111 3HBB HEC 111 -1.640 -4.423 -10.869 885 1HMC HEC 111 1HMC HEC 111 -4.229 -3.629 -6.180 886 2HMC HEC 111 2HMC HEC 111 -5.653 -2.721 -6.742 887 3HMC HEC 111 3HMC HEC 111 -4.454 -3.313 -7.917 888 HAC HEC 111 HAC HEC 111 -3.797 -0.407 -3.604 889 1HBC HEC 111 1HBC HEC 111 -4.075 -2.474 -2.716 890 2HBC HEC 111 2HBC HEC 111 -5.027 -3.069 -4.098 891 3HBC HEC 111 3HBC HEC 111 -3.256 -2.942 -4.226 892 1HMD HEC 111 1HMD HEC 111 -2.321 2.733 -2.928 893 2HMD HEC 111 2HMD HEC 111 -0.598 3.062 -2.626 894 3HMD HEC 111 3HMD HEC 111 -1.741 4.412 -2.824 895 1HAD HEC 111 1HAD HEC 111 0.789 5.267 -3.977 896 2HAD HEC 111 2HAD HEC 111 0.845 5.907 -5.637 897 1HBD HEC 111 1HBD HEC 111 -1.557 6.737 -5.159 898 2HBD HEC 111 2HBD HEC 111 -1.138 6.468 -3.450 No H/Q in entry = 898 Start of MODEL 20 1 1H ALA 1 1H ALA 1 2.259 2.732 21.606 2 2H ALA 1 2H ALA 1 2.389 4.164 20.783 3 HA ALA 1 HA ALA 1 1.501 3.220 19.088 4 1HB ALA 1 2HB ALA 1 1.523 1.060 21.037 5 2HB ALA 1 3HB ALA 1 0.106 0.932 19.967 6 3HB ALA 1 1HB ALA 1 1.744 0.992 19.272 7 HA PRO 2 HA PRO 2 -2.410 5.098 20.058 8 1HB PRO 2 1HB PRO 2 -2.554 6.674 17.829 9 2HB PRO 2 2HB PRO 2 -1.820 7.202 19.331 10 1HG PRO 2 1HG PRO 2 -0.506 6.376 16.815 11 2HG PRO 2 2HG PRO 2 0.160 7.293 18.152 12 1HD PRO 2 1HD PRO 2 0.634 4.525 17.565 13 2HD PRO 2 2HD PRO 2 1.205 5.412 18.964 14 H LYS 3 H LYS 3 -4.430 5.582 18.438 15 HA LYS 3 HA LYS 3 -4.881 2.914 17.371 16 1HB LYS 3 1HB LYS 3 -6.558 5.103 18.454 17 2HB LYS 3 2HB LYS 3 -7.253 4.228 17.105 18 1HG LYS 3 1HG LYS 3 -7.954 2.889 18.887 19 2HG LYS 3 2HG LYS 3 -6.469 2.073 18.440 20 1HD LYS 3 1HD LYS 3 -5.640 2.433 20.516 21 2HD LYS 3 2HD LYS 3 -5.732 4.164 20.258 22 1HE LYS 3 1HE LYS 3 -8.402 3.448 20.761 23 2HE LYS 3 2HE LYS 3 -7.500 2.412 21.848 24 1HZ LYS 3 1HZ LYS 3 -8.094 4.821 22.583 25 2HZ LYS 3 2HZ LYS 3 -6.620 4.240 22.959 26 H ALA 4 H ALA 4 -6.349 2.946 15.270 27 HA ALA 4 HA ALA 4 -4.723 3.997 13.234 28 1HB ALA 4 2HB ALA 4 -6.654 2.048 13.470 29 2HB ALA 4 3HB ALA 4 -7.513 3.300 12.542 30 3HB ALA 4 1HB ALA 4 -5.981 2.632 11.929 31 HA PRO 5 HA PRO 5 -6.414 7.950 12.758 32 1HB PRO 5 1HB PRO 5 -5.760 8.501 10.162 33 2HB PRO 5 2HB PRO 5 -4.622 8.643 11.488 34 1HG PRO 5 1HG PRO 5 -4.797 6.544 9.413 35 2HG PRO 5 2HG PRO 5 -3.452 6.940 10.464 36 1HD PRO 5 1HD PRO 5 -5.253 4.725 10.741 37 2HD PRO 5 2HD PRO 5 -3.981 5.187 11.855 38 H ALA 6 H ALA 6 -7.902 9.393 11.427 39 HA ALA 6 HA ALA 6 -10.344 8.119 11.279 40 1HB ALA 6 2HB ALA 6 -9.173 10.727 10.636 41 2HB ALA 6 3HB ALA 6 -10.505 10.296 9.538 42 3HB ALA 6 1HB ALA 6 -10.778 10.333 11.296 43 H ASP 7 H ASP 7 -11.680 7.478 9.466 44 HA ASP 7 HA ASP 7 -10.165 6.077 7.543 45 1HB ASP 7 1HB ASP 7 -13.104 6.504 7.133 46 2HB ASP 7 2HB ASP 7 -12.174 5.024 7.018 47 H GLY 8 H GLY 8 -10.290 6.421 5.169 48 1HA GLY 8 1HA GLY 8 -11.009 7.646 3.293 49 2HA GLY 8 2HA GLY 8 -11.386 9.015 4.320 50 H LEU 9 H LEU 9 -8.385 7.183 4.826 51 HA LEU 9 HA LEU 9 -6.857 9.551 4.386 52 1HB LEU 9 1HB LEU 9 -6.229 8.134 6.169 53 2HB LEU 9 2HB LEU 9 -6.199 6.713 5.144 54 HG LEU 9 HG LEU 9 -3.971 7.812 5.903 55 1HD1 LEU 9 1HD1 LEU 9 -4.741 6.282 3.639 56 2HD1 LEU 9 2HD1 LEU 9 -3.497 7.439 3.108 57 3HD1 LEU 9 3HD1 LEU 9 -3.164 6.335 4.463 58 1HD2 LEU 9 3HD2 LEU 9 -4.921 10.078 4.901 59 2HD2 LEU 9 1HD2 LEU 9 -3.184 9.692 4.880 60 3HD2 LEU 9 2HD2 LEU 9 -4.166 9.450 3.416 61 H LYS 10 H LYS 10 -6.647 10.289 2.324 62 HA LYS 10 HA LYS 10 -6.131 8.285 0.253 63 1HB LYS 10 1HB LYS 10 -8.028 9.607 -0.286 64 2HB LYS 10 2HB LYS 10 -7.231 11.098 0.172 65 1HG LYS 10 1HG LYS 10 -5.527 10.644 -1.694 66 2HG LYS 10 2HG LYS 10 -6.549 9.319 -2.212 67 1HD LYS 10 1HD LYS 10 -7.980 10.733 -3.267 68 2HD LYS 10 2HD LYS 10 -8.172 11.710 -1.825 69 1HE LYS 10 1HE LYS 10 -5.653 12.487 -2.573 70 2HE LYS 10 2HE LYS 10 -6.317 12.092 -4.146 71 1HZ LYS 10 1HZ LYS 10 -6.703 14.452 -3.088 72 2HZ LYS 10 2HZ LYS 10 -7.881 13.764 -3.977 73 H MET 11 H MET 11 -4.321 8.492 -1.153 74 HA MET 11 HA MET 11 -2.328 10.376 -0.153 75 1HB MET 11 1HB MET 11 -0.699 8.458 -1.015 76 2HB MET 11 2HB MET 11 -1.463 8.281 0.552 77 1HG MET 11 1HG MET 11 -2.911 6.606 -0.176 78 2HG MET 11 2HG MET 11 -3.011 7.243 -1.805 79 1HE MET 11 1HE MET 11 -1.053 5.607 0.850 80 2HE MET 11 2HE MET 11 0.052 4.469 0.041 81 3HE MET 11 3HE MET 11 0.515 6.177 0.230 82 H GLU 12 H GLU 12 -2.219 11.948 -1.720 83 HA GLU 12 HA GLU 12 -2.287 11.020 -4.476 84 1HB GLU 12 1HB GLU 12 -3.954 12.774 -3.684 85 2HB GLU 12 2HB GLU 12 -2.609 13.870 -3.443 86 1HG GLU 12 1HG GLU 12 -2.877 12.495 -6.120 87 2HG GLU 12 2HG GLU 12 -3.960 13.823 -5.755 88 H ALA 13 H ALA 13 0.030 10.247 -3.939 89 HA ALA 13 HA ALA 13 1.931 12.463 -3.942 90 1HB ALA 13 3HB ALA 13 1.884 10.190 -2.472 91 2HB ALA 13 1HB ALA 13 2.823 9.616 -3.871 92 3HB ALA 13 2HB ALA 13 3.392 11.017 -2.932 93 H THR 14 H THR 14 0.203 10.460 -6.088 94 HA THR 14 HA THR 14 2.144 11.070 -8.199 95 HB THR 14 HB THR 14 1.771 8.757 -9.104 96 HG1 THR 14 HG1 THR 14 -0.356 8.823 -7.698 97 1HG2 THR 14 3HG2 THR 14 2.728 8.987 -6.212 98 2HG2 THR 14 1HG2 THR 14 2.756 7.440 -7.093 99 3HG2 THR 14 2HG2 THR 14 3.721 8.815 -7.679 100 H LYS 15 H LYS 15 0.980 10.450 -10.434 101 HA LYS 15 HA LYS 15 -1.156 12.261 -10.599 102 1HB LYS 15 1HB LYS 15 0.518 11.699 -12.395 103 2HB LYS 15 2HB LYS 15 -0.319 10.179 -12.636 104 1HG LYS 15 1HG LYS 15 -2.477 11.598 -12.939 105 2HG LYS 15 2HG LYS 15 -1.417 12.990 -13.048 106 1HD LYS 15 1HD LYS 15 -0.141 11.697 -14.894 107 2HD LYS 15 2HD LYS 15 -1.475 10.561 -14.889 108 1HE LYS 15 1HE LYS 15 -3.061 12.485 -15.333 109 2HE LYS 15 2HE LYS 15 -1.682 13.560 -15.440 110 1HZ LYS 15 1HZ LYS 15 -0.846 11.964 -17.231 111 2HZ LYS 15 2HZ LYS 15 -2.340 11.317 -17.254 112 H GLN 16 H GLN 16 -0.992 8.997 -9.532 113 HA GLN 16 HA GLN 16 -3.871 8.777 -9.957 114 1HB GLN 16 1HB GLN 16 -1.912 6.459 -9.674 115 2HB GLN 16 2HB GLN 16 -3.619 6.345 -10.055 116 1HG GLN 16 1HG GLN 16 -2.003 8.102 -11.864 117 2HG GLN 16 2HG GLN 16 -1.640 6.390 -11.949 118 1HE2 GLN 16 2HE2 GLN 16 -5.004 5.430 -12.928 119 2HE2 GLN 16 1HE2 GLN 16 -3.763 5.001 -11.799 120 HA PRO 17 HA PRO 17 -3.453 8.962 -5.532 121 1HB PRO 17 1HB PRO 17 -5.910 10.049 -5.035 122 2HB PRO 17 2HB PRO 17 -4.477 11.014 -5.328 123 1HG PRO 17 1HG PRO 17 -6.754 10.480 -7.136 124 2HG PRO 17 2HG PRO 17 -5.549 11.748 -7.234 125 1HD PRO 17 1HD PRO 17 -5.658 9.359 -8.817 126 2HD PRO 17 2HD PRO 17 -4.392 10.571 -8.833 127 H VAL 18 H VAL 18 -4.455 7.933 -3.662 128 HA VAL 18 HA VAL 18 -6.445 5.962 -4.457 129 HB VAL 18 HB VAL 18 -3.734 5.342 -3.282 130 1HG1 VAL 18 2HG1 VAL 18 -5.468 4.135 -2.021 131 2HG1 VAL 18 3HG1 VAL 18 -6.128 3.491 -3.543 132 3HG1 VAL 18 1HG1 VAL 18 -4.493 3.027 -3.015 133 1HG2 VAL 18 3HG2 VAL 18 -5.148 4.642 -5.856 134 2HG2 VAL 18 1HG2 VAL 18 -3.532 5.350 -5.616 135 3HG2 VAL 18 2HG2 VAL 18 -3.820 3.638 -5.224 136 H VAL 19 H VAL 19 -7.639 5.097 -2.620 137 HA VAL 19 HA VAL 19 -7.288 6.758 -0.219 138 HB VAL 19 HB VAL 19 -9.774 5.863 -1.671 139 1HG1 VAL 19 3HG1 VAL 19 -10.098 5.373 0.707 140 2HG1 VAL 19 1HG1 VAL 19 -9.591 7.026 1.130 141 3HG1 VAL 19 2HG1 VAL 19 -11.090 6.764 0.206 142 1HG2 VAL 19 3HG2 VAL 19 -8.269 8.234 -1.720 143 2HG2 VAL 19 1HG2 VAL 19 -9.902 7.976 -2.381 144 3HG2 VAL 19 2HG2 VAL 19 -9.700 8.605 -0.729 145 H PHE 20 H PHE 20 -6.628 5.580 1.495 146 HA PHE 20 HA PHE 20 -7.252 2.712 1.461 147 1HB PHE 20 1HB PHE 20 -4.844 3.498 1.533 148 2HB PHE 20 2HB PHE 20 -5.207 4.491 2.930 149 HD1 PHE 20 HD2 PHE 20 -4.986 0.966 1.754 150 HD2 PHE 20 HD1 PHE 20 -5.132 3.592 5.129 151 HE1 PHE 20 HE2 PHE 20 -4.381 -0.966 3.293 152 HE2 PHE 20 HE1 PHE 20 -4.527 1.651 6.656 153 HZ PHE 20 HZ PHE 20 -4.142 -0.636 5.616 154 H ASN 21 H ASN 21 -8.164 1.691 3.288 155 HA ASN 21 HA ASN 21 -9.201 3.585 5.250 156 1HB ASN 21 1HB ASN 21 -10.487 0.959 4.332 157 2HB ASN 21 2HB ASN 21 -11.187 2.102 5.461 158 1HD2 ASN 21 2HD2 ASN 21 -12.087 4.559 3.062 159 2HD2 ASN 21 1HD2 ASN 21 -11.602 4.292 4.703 160 H HIS 22 H HIS 22 -8.705 3.063 7.411 161 HA HIS 22 HA HIS 22 -7.037 0.763 7.823 162 1HB HIS 22 1HB HIS 22 -7.801 3.198 9.382 163 2HB HIS 22 2HB HIS 22 -7.219 1.803 10.268 164 HD1 HIS 22 HD1 HIS 22 -6.098 4.541 7.980 165 HD2 HIS 22 HD2 HIS 22 -4.484 1.106 9.768 166 HE1 HIS 22 HE1 HIS 22 -3.567 4.716 7.709 167 H SER 23 H SER 23 -10.400 1.717 8.252 168 HA SER 23 HA SER 23 -10.953 -0.216 10.232 169 1HB SER 23 1HB SER 23 -13.364 0.310 9.620 170 2HB SER 23 2HB SER 23 -12.402 1.694 10.100 171 HG SER 23 HG SER 23 -12.233 2.371 7.954 172 H THR 24 H THR 24 -10.019 -0.543 7.044 173 HA THR 24 HA THR 24 -11.783 -2.839 6.544 174 HB THR 24 HB THR 24 -10.003 -1.102 4.759 175 HG1 THR 24 HG1 THR 24 -12.029 -0.143 5.162 176 1HG2 THR 24 2HG2 THR 24 -11.819 -3.463 4.037 177 2HG2 THR 24 3HG2 THR 24 -11.020 -2.379 2.873 178 3HG2 THR 24 1HG2 THR 24 -10.045 -3.459 3.899 179 H HIS 25 H HIS 25 -8.428 -1.844 7.157 180 HA HIS 25 HA HIS 25 -7.632 -4.631 6.797 181 1HB HIS 25 1HB HIS 25 -5.940 -2.127 7.031 182 2HB HIS 25 2HB HIS 25 -5.325 -3.751 6.800 183 HD1 HIS 25 HD1 HIS 25 -7.426 -1.129 4.996 184 HD2 HIS 25 HD2 HIS 25 -5.243 -4.615 4.172 185 HE1 HIS 25 HE1 HIS 25 -7.333 -1.331 2.454 186 H LYS 26 H LYS 26 -9.293 -3.929 9.027 187 HA LYS 26 HA LYS 26 -7.703 -3.402 11.306 188 1HB LYS 26 1HB LYS 26 -10.453 -4.669 11.158 189 2HB LYS 26 2HB LYS 26 -9.721 -3.908 12.556 190 1HG LYS 26 1HG LYS 26 -9.632 -1.731 11.345 191 2HG LYS 26 2HG LYS 26 -10.318 -2.484 9.919 192 1HD LYS 26 1HD LYS 26 -12.290 -1.707 10.827 193 2HD LYS 26 2HD LYS 26 -12.220 -3.226 11.697 194 1HE LYS 26 1HE LYS 26 -10.939 -1.987 13.550 195 2HE LYS 26 2HE LYS 26 -11.307 -0.495 12.708 196 1HZ LYS 26 1HZ LYS 26 -13.278 -2.400 13.843 197 2HZ LYS 26 2HZ LYS 26 -13.020 -0.863 14.315 198 H SER 27 H SER 27 -8.855 -6.366 9.634 199 HA SER 27 HA SER 27 -7.931 -8.076 11.665 200 1HB SER 27 1HB SER 27 -8.627 -9.835 10.258 201 2HB SER 27 2HB SER 27 -9.691 -8.519 9.802 202 HG SER 27 HG SER 27 -7.287 -9.349 8.414 203 H VAL 28 H VAL 28 -6.312 -6.117 9.413 204 HA VAL 28 HA VAL 28 -4.114 -7.978 9.011 205 HB VAL 28 HB VAL 28 -4.443 -5.127 8.065 206 1HG1 VAL 28 2HG1 VAL 28 -2.153 -6.452 8.097 207 2HG1 VAL 28 3HG1 VAL 28 -2.835 -7.222 6.643 208 3HG1 VAL 28 1HG1 VAL 28 -2.619 -5.456 6.697 209 1HG2 VAL 28 2HG2 VAL 28 -5.996 -7.370 7.328 210 2HG2 VAL 28 3HG2 VAL 28 -5.921 -5.781 6.529 211 3HG2 VAL 28 1HG2 VAL 28 -4.848 -7.098 5.996 212 H LYS 29 H LYS 29 -2.036 -7.697 9.889 213 HA LYS 29 HA LYS 29 -2.005 -6.338 12.389 214 1HB LYS 29 1HB LYS 29 -0.521 -8.398 11.071 215 2HB LYS 29 2HB LYS 29 0.611 -7.161 11.580 216 1HG LYS 29 1HG LYS 29 -0.557 -7.208 13.879 217 2HG LYS 29 2HG LYS 29 -1.408 -8.636 13.325 218 1HD LYS 29 1HD LYS 29 0.376 -9.842 14.051 219 2HD LYS 29 2HD LYS 29 1.252 -9.212 12.670 220 1HE LYS 29 1HE LYS 29 2.627 -8.031 14.032 221 2HE LYS 29 2HE LYS 29 1.260 -7.178 14.721 222 1HZ LYS 29 1HZ LYS 29 2.715 -9.413 15.811 223 2HZ LYS 29 2HZ LYS 29 1.811 -8.304 16.588 224 H CYS 30 H CYS 30 -1.105 -4.379 12.947 225 HA CYS 30 HA CYS 30 -0.860 -2.455 10.981 226 1HB CYS 30 1HB CYS 30 0.491 -2.250 13.663 227 2HB CYS 30 2HB CYS 30 -0.195 -0.970 12.682 228 H GLY 31 H GLY 31 1.417 -4.809 12.344 229 1HA GLY 31 1HA GLY 31 3.786 -3.492 11.370 230 2HA GLY 31 2HA GLY 31 3.658 -5.088 12.083 231 H ASP 32 H ASP 32 1.225 -5.079 9.822 232 HA ASP 32 HA ASP 32 2.782 -6.659 8.059 233 1HB ASP 32 1HB ASP 32 0.330 -7.034 8.707 234 2HB ASP 32 2HB ASP 32 -0.079 -5.657 7.702 235 H CYS 33 H CYS 33 1.356 -3.377 8.187 236 HA CYS 33 HA CYS 33 2.265 -2.893 5.453 237 1HB CYS 33 1HB CYS 33 0.090 -1.740 7.142 238 2HB CYS 33 2HB CYS 33 0.896 -0.652 6.030 239 H HIS 34 H HIS 34 2.156 -1.415 8.780 240 HA HIS 34 HA HIS 34 4.232 0.421 8.112 241 1HB HIS 34 1HB HIS 34 2.951 -0.278 10.769 242 2HB HIS 34 2HB HIS 34 4.066 1.049 10.508 243 HD1 HIS 34 HD1 HIS 34 3.200 3.066 8.985 244 HD2 HIS 34 HD2 HIS 34 0.307 0.211 10.025 245 HE1 HIS 34 HE1 HIS 34 0.934 4.131 8.491 246 H HIS 35 H HIS 35 5.412 -1.788 7.331 247 HA HIS 35 HA HIS 35 6.526 -3.557 9.000 248 1HB HIS 35 1HB HIS 35 8.372 -3.734 7.424 249 2HB HIS 35 2HB HIS 35 6.840 -3.567 6.589 250 HD1 HIS 35 HD1 HIS 35 9.724 -1.287 7.698 251 HD2 HIS 35 HD2 HIS 35 6.881 -1.658 4.636 252 HE1 HIS 35 HE1 HIS 35 10.238 0.563 6.017 253 HA PRO 36 HA PRO 36 9.105 -1.397 11.720 254 1HB PRO 36 1HB PRO 36 10.797 -3.384 12.531 255 2HB PRO 36 2HB PRO 36 9.181 -3.179 13.176 256 1HG PRO 36 1HG PRO 36 10.167 -5.196 11.253 257 2HG PRO 36 2HG PRO 36 8.707 -5.224 12.222 258 1HD PRO 36 1HD PRO 36 8.897 -4.635 9.421 259 2HD PRO 36 2HD PRO 36 7.456 -4.550 10.414 260 H VAL 37 H VAL 37 10.706 0.064 11.606 261 HA VAL 37 HA VAL 37 12.798 -0.650 9.668 262 HB VAL 37 HB VAL 37 11.445 1.993 10.222 263 1HG1 VAL 37 2HG1 VAL 37 13.979 2.126 9.945 264 2HG1 VAL 37 3HG1 VAL 37 13.723 1.561 8.277 265 3HG1 VAL 37 1HG1 VAL 37 13.001 3.095 8.817 266 1HG2 VAL 37 3HG2 VAL 37 10.304 0.351 8.696 267 2HG2 VAL 37 1HG2 VAL 37 10.725 1.904 7.935 268 3HG2 VAL 37 2HG2 VAL 37 11.716 0.460 7.619 269 H ASN 38 H ASN 38 14.667 -1.080 10.715 270 HA ASN 38 HA ASN 38 16.447 -0.605 11.923 271 1HB ASN 38 1HB ASN 38 15.310 1.870 12.049 272 2HB ASN 38 2HB ASN 38 15.108 1.408 13.727 273 1HD2 ASN 38 2HD2 ASN 38 18.291 2.527 14.477 274 2HD2 ASN 38 1HD2 ASN 38 16.587 2.515 14.787 275 H GLY 39 H GLY 39 13.417 -1.678 12.793 276 1HA GLY 39 1HA GLY 39 13.140 -3.450 14.316 277 2HA GLY 39 2HA GLY 39 14.396 -2.780 15.338 278 H LYS 40 H LYS 40 12.645 -0.126 14.283 279 HA LYS 40 HA LYS 40 11.012 -0.199 16.715 280 1HB LYS 40 1HB LYS 40 11.253 2.112 16.879 281 2HB LYS 40 2HB LYS 40 12.837 1.571 16.361 282 1HG LYS 40 1HG LYS 40 11.522 1.957 13.930 283 2HG LYS 40 2HG LYS 40 10.850 3.236 14.921 284 1HD LYS 40 1HD LYS 40 13.490 3.485 15.595 285 2HD LYS 40 2HD LYS 40 13.666 2.845 13.973 286 1HE LYS 40 1HE LYS 40 11.636 4.805 13.739 287 2HE LYS 40 2HE LYS 40 12.808 5.521 14.828 288 1HZ LYS 40 1HZ LYS 40 14.345 4.405 12.860 289 2HZ LYS 40 2HZ LYS 40 13.076 4.988 12.024 290 H GLU 41 H GLU 41 8.789 0.238 16.637 291 HA GLU 41 HA GLU 41 7.731 0.239 13.918 292 1HB GLU 41 1HB GLU 41 7.243 -1.534 16.103 293 2HB GLU 41 2HB GLU 41 5.778 -0.593 15.901 294 1HG GLU 41 1HG GLU 41 6.496 -1.195 13.261 295 2HG GLU 41 2HG GLU 41 6.946 -2.651 14.127 296 H ASP 42 H ASP 42 6.545 2.005 13.304 297 HA ASP 42 HA ASP 42 5.182 3.479 15.372 298 1HB ASP 42 1HB ASP 42 6.183 5.573 14.891 299 2HB ASP 42 2HB ASP 42 7.540 4.466 14.939 300 H TYR 43 H TYR 43 3.549 5.023 14.355 301 HA TYR 43 HA TYR 43 2.666 3.955 11.785 302 1HB TYR 43 1HB TYR 43 1.433 5.807 13.920 303 2HB TYR 43 2HB TYR 43 0.555 5.190 12.535 304 HD1 TYR 43 HD1 TYR 43 1.679 2.338 12.593 305 HD2 TYR 43 HD2 TYR 43 0.120 4.871 15.668 306 HE1 TYR 43 HE1 TYR 43 0.997 0.294 13.941 307 HE2 TYR 43 HE2 TYR 43 -0.557 2.818 17.006 308 HH TYR 43 HH TYR 43 -0.981 -0.034 15.836 309 H ARG 44 H ARG 44 3.828 5.025 10.181 310 HA ARG 44 HA ARG 44 3.403 7.901 10.179 311 1HB ARG 44 1HB ARG 44 5.925 6.514 10.288 312 2HB ARG 44 2HB ARG 44 5.802 7.221 8.689 313 1HG ARG 44 1HG ARG 44 5.371 9.448 9.645 314 2HG ARG 44 2HG ARG 44 5.293 8.782 11.265 315 1HD ARG 44 1HD ARG 44 7.740 7.889 10.720 316 2HD ARG 44 2HD ARG 44 7.718 9.125 9.478 317 HE ARG 44 HE ARG 44 6.890 10.048 12.155 318 1HH1 ARG 44 2HH2 ARG 44 9.566 9.697 9.859 319 2HH1 ARG 44 1HH2 ARG 44 10.541 10.910 10.620 320 HH2 ARG 44 HH1 ARG 44 9.704 12.043 12.558 321 H LYS 45 H LYS 45 3.875 8.774 7.783 322 HA LYS 45 HA LYS 45 2.209 7.185 6.065 323 1HB LYS 45 1HB LYS 45 3.518 9.898 5.730 324 2HB LYS 45 2HB LYS 45 2.480 9.155 4.530 325 1HG LYS 45 1HG LYS 45 0.879 10.369 5.691 326 2HG LYS 45 2HG LYS 45 0.813 8.880 6.613 327 1HD LYS 45 1HD LYS 45 2.124 9.776 8.396 328 2HD LYS 45 2HD LYS 45 2.751 11.079 7.406 329 1HE LYS 45 1HE LYS 45 -0.123 11.305 7.409 330 2HE LYS 45 2HE LYS 45 0.385 11.067 9.069 331 1HZ LYS 45 1HZ LYS 45 2.184 12.878 8.019 332 2HZ LYS 45 2HZ LYS 45 0.746 13.369 7.434 333 H CYS 46 H CYS 46 2.818 5.988 4.289 334 HA CYS 46 HA CYS 46 5.406 5.012 4.210 335 1HB CYS 46 1HB CYS 46 3.625 4.957 1.797 336 2HB CYS 46 2HB CYS 46 4.746 3.742 2.378 337 H GLY 47 H GLY 47 3.675 7.446 2.142 338 1HA GLY 47 1HA GLY 47 6.008 8.042 0.582 339 2HA GLY 47 2HA GLY 47 4.464 8.870 0.565 340 H THR 48 H THR 48 6.955 8.266 3.150 341 HA THR 48 HA THR 48 6.736 11.092 3.875 342 HB THR 48 HB THR 48 7.559 8.510 5.222 343 HG1 THR 48 HG1 THR 48 6.073 10.972 5.821 344 1HG2 THR 48 3HG2 THR 48 8.509 11.323 5.914 345 2HG2 THR 48 1HG2 THR 48 8.226 10.112 7.188 346 3HG2 THR 48 2HG2 THR 48 9.446 9.809 5.927 347 H ALA 49 H ALA 49 8.323 12.573 3.610 348 HA ALA 49 HA ALA 49 10.288 12.137 1.723 349 1HB ALA 49 3HB ALA 49 9.305 14.254 3.347 350 2HB ALA 49 1HB ALA 49 11.068 14.203 3.586 351 3HB ALA 49 2HB ALA 49 10.397 14.369 1.945 352 H GLY 50 H GLY 50 11.850 10.591 1.867 353 1HA GLY 50 1HA GLY 50 14.081 10.306 2.818 354 2HA GLY 50 2HA GLY 50 13.361 10.462 4.408 355 H CYS 51 H CYS 51 10.921 8.900 2.983 356 HA CYS 51 HA CYS 51 12.069 6.291 3.626 357 1HB CYS 51 1HB CYS 51 9.203 7.280 3.691 358 2HB CYS 51 2HB CYS 51 9.649 5.596 3.884 359 H HIS 52 H HIS 52 9.009 6.664 1.888 360 HA HIS 52 HA HIS 52 10.298 5.484 -0.447 361 1HB HIS 52 1HB HIS 52 7.421 5.523 0.494 362 2HB HIS 52 2HB HIS 52 7.911 4.917 -1.075 363 HD1 HIS 52 HD1 HIS 52 9.812 2.882 -0.928 364 HD2 HIS 52 HD2 HIS 52 7.476 3.634 2.474 365 HE1 HIS 52 HE1 HIS 52 9.977 0.794 0.528 366 H ASP 53 H ASP 53 11.215 7.528 -1.181 367 HA ASP 53 HA ASP 53 9.194 9.057 -2.580 368 1HB ASP 53 1HB ASP 53 9.534 10.583 -0.831 369 2HB ASP 53 2HB ASP 53 11.191 10.075 -0.568 370 H SER 54 H SER 54 10.074 7.789 -4.433 371 HA SER 54 HA SER 54 12.792 8.589 -5.123 372 1HB SER 54 1HB SER 54 12.219 6.089 -4.825 373 2HB SER 54 2HB SER 54 11.260 6.230 -6.285 374 HG SER 54 HG SER 54 13.327 5.523 -6.894 375 H MET 55 H MET 55 9.373 8.532 -6.036 376 HA MET 55 HA MET 55 8.276 9.227 -7.800 377 1HB MET 55 1HB MET 55 10.252 11.315 -7.029 378 2HB MET 55 2HB MET 55 9.661 11.521 -8.666 379 1HG MET 55 1HG MET 55 8.034 12.708 -7.471 380 2HG MET 55 2HG MET 55 7.272 11.133 -7.568 381 1HE MET 55 2HE MET 55 6.938 9.640 -6.135 382 2HE MET 55 3HE MET 55 7.786 9.340 -4.599 383 3HE MET 55 1HE MET 55 6.267 10.267 -4.610 384 H ASP 56 H ASP 56 10.268 7.226 -8.468 385 HA ASP 56 HA ASP 56 11.162 8.188 -11.064 386 1HB ASP 56 1HB ASP 56 12.721 7.046 -9.262 387 2HB ASP 56 2HB ASP 56 11.969 5.553 -9.789 388 H LYS 57 H LYS 57 9.368 5.641 -9.257 389 HA LYS 57 HA LYS 57 7.795 4.215 -9.871 390 1HB LYS 57 1HB LYS 57 6.821 6.136 -11.084 391 2HB LYS 57 2HB LYS 57 7.746 5.710 -12.510 392 1HG LYS 57 1HG LYS 57 6.127 3.494 -11.312 393 2HG LYS 57 2HG LYS 57 5.205 4.807 -12.017 394 1HD LYS 57 1HD LYS 57 7.511 3.562 -13.553 395 2HD LYS 57 2HD LYS 57 5.938 2.789 -13.545 396 1HE LYS 57 1HE LYS 57 5.056 4.328 -14.979 397 2HE LYS 57 2HE LYS 57 5.704 5.675 -14.063 398 1HZ LYS 57 1HZ LYS 57 7.923 5.063 -15.126 399 2HZ LYS 57 2HZ LYS 57 7.096 4.106 -16.151 400 H LYS 58 H LYS 58 9.694 4.741 -12.930 401 HA LYS 58 HA LYS 58 9.834 1.924 -13.355 402 1HB LYS 58 1HB LYS 58 9.909 4.097 -14.983 403 2HB LYS 58 2HB LYS 58 11.622 3.744 -14.869 404 1HG LYS 58 1HG LYS 58 10.706 1.213 -15.256 405 2HG LYS 58 2HG LYS 58 9.412 2.087 -16.052 406 1HD LYS 58 1HD LYS 58 10.967 3.180 -17.573 407 2HD LYS 58 2HD LYS 58 12.353 2.614 -16.663 408 1HE LYS 58 1HE LYS 58 10.839 0.280 -17.326 409 2HE LYS 58 2HE LYS 58 10.884 1.257 -18.780 410 1HZ LYS 58 1HZ LYS 58 13.370 0.813 -17.254 411 2HZ LYS 58 2HZ LYS 58 12.851 -0.325 -18.297 412 H ASP 59 H ASP 59 10.722 1.909 -10.912 413 HA ASP 59 HA ASP 59 13.440 1.187 -11.230 414 1HB ASP 59 1HB ASP 59 13.012 3.836 -10.483 415 2HB ASP 59 2HB ASP 59 13.172 3.046 -8.928 416 H LYS 60 H LYS 60 12.773 -0.880 -10.426 417 HA LYS 60 HA LYS 60 11.277 -0.951 -7.940 418 1HB LYS 60 1HB LYS 60 12.125 -3.114 -9.887 419 2HB LYS 60 2HB LYS 60 11.239 -3.417 -8.407 420 1HG LYS 60 1HG LYS 60 9.271 -2.685 -9.302 421 2HG LYS 60 2HG LYS 60 10.013 -1.248 -9.977 422 1HD LYS 60 1HD LYS 60 10.440 -2.248 -12.024 423 2HD LYS 60 2HD LYS 60 10.733 -3.826 -11.320 424 1HE LYS 60 1HE LYS 60 7.953 -3.054 -10.878 425 2HE LYS 60 2HE LYS 60 8.344 -2.907 -12.580 426 1HZ LYS 60 1HZ LYS 60 7.661 -5.218 -11.520 427 2HZ LYS 60 2HZ LYS 60 8.722 -5.154 -12.753 428 H SER 61 H SER 61 12.116 -1.499 -5.961 429 HA SER 61 HA SER 61 14.425 -2.961 -5.625 430 1HB SER 61 1HB SER 61 15.149 -0.477 -6.524 431 2HB SER 61 2HB SER 61 15.118 -0.175 -4.798 432 HG SER 61 HG SER 61 16.977 -1.556 -6.289 433 H ALA 62 H ALA 62 13.232 0.133 -4.112 434 HA ALA 62 HA ALA 62 11.722 -1.135 -2.132 435 1HB ALA 62 3HB ALA 62 14.345 -1.598 -1.625 436 2HB ALA 62 1HB ALA 62 14.157 -0.022 -0.820 437 3HB ALA 62 2HB ALA 62 13.126 -1.392 -0.345 438 H LYS 63 H LYS 63 13.887 1.620 -2.997 439 HA LYS 63 HA LYS 63 12.397 3.494 -1.473 440 1HB LYS 63 1HB LYS 63 13.808 5.152 -2.568 441 2HB LYS 63 2HB LYS 63 14.765 3.809 -1.976 442 1HG LYS 63 1HG LYS 63 14.232 2.895 -4.495 443 2HG LYS 63 2HG LYS 63 14.166 4.619 -4.800 444 1HD LYS 63 1HD LYS 63 16.440 4.369 -5.062 445 2HD LYS 63 2HD LYS 63 16.441 4.562 -3.320 446 1HE LYS 63 1HE LYS 63 16.169 1.820 -4.622 447 2HE LYS 63 2HE LYS 63 17.737 2.531 -4.298 448 1HZ LYS 63 1HZ LYS 63 16.947 2.778 -1.924 449 2HZ LYS 63 2HZ LYS 63 15.655 1.860 -2.297 450 H GLY 64 H GLY 64 11.635 1.719 -4.236 451 1HA GLY 64 1HA GLY 64 10.314 3.760 -5.754 452 2HA GLY 64 2HA GLY 64 10.214 2.025 -5.974 453 H TYR 65 H TYR 65 8.850 4.855 -4.318 454 HA TYR 65 HA TYR 65 7.134 3.697 -2.534 455 1HB TYR 65 1HB TYR 65 7.466 6.135 -2.828 456 2HB TYR 65 2HB TYR 65 6.940 6.055 -4.498 457 HD1 TYR 65 HD1 TYR 65 5.730 5.652 -0.991 458 HD2 TYR 65 HD2 TYR 65 4.675 6.399 -5.070 459 HE1 TYR 65 HE1 TYR 65 3.358 6.229 -0.280 460 HE2 TYR 65 HE2 TYR 65 2.307 6.973 -4.345 461 HH TYR 65 HH TYR 65 1.452 7.856 -1.525 462 H TYR 66 H TYR 66 6.817 3.994 -6.101 463 HA TYR 66 HA TYR 66 4.123 2.969 -6.042 464 1HB TYR 66 1HB TYR 66 4.664 4.543 -7.795 465 2HB TYR 66 2HB TYR 66 6.260 3.859 -8.031 466 HD1 TYR 66 HD1 TYR 66 6.460 1.588 -9.182 467 HD2 TYR 66 HD2 TYR 66 2.827 3.847 -9.124 468 HE1 TYR 66 HE1 TYR 66 5.585 0.246 -11.156 469 HE2 TYR 66 HE2 TYR 66 1.965 2.497 -11.099 470 HH TYR 66 HH TYR 66 2.980 -0.301 -11.948 471 H HIS 67 H HIS 67 7.076 1.545 -5.486 472 HA HIS 67 HA HIS 67 6.382 -0.854 -7.004 473 1HB HIS 67 1HB HIS 67 8.541 -0.649 -7.570 474 2HB HIS 67 2HB HIS 67 8.893 0.450 -6.251 475 HD1 HIS 67 HD1 HIS 67 9.458 -2.982 -7.368 476 HD2 HIS 67 HD2 HIS 67 9.333 -0.985 -3.681 477 HE1 HIS 67 HE1 HIS 67 10.621 -4.510 -5.688 478 H VAL 68 H VAL 68 6.004 0.594 -3.971 479 HA VAL 68 HA VAL 68 6.086 -1.999 -2.602 480 HB VAL 68 HB VAL 68 5.831 -0.418 -0.569 481 1HG1 VAL 68 2HG1 VAL 68 7.877 -1.751 -1.359 482 2HG1 VAL 68 3HG1 VAL 68 8.465 -0.216 -2.043 483 3HG1 VAL 68 1HG1 VAL 68 8.172 -0.357 -0.292 484 1HG2 VAL 68 3HG2 VAL 68 5.291 1.596 -1.941 485 2HG2 VAL 68 1HG2 VAL 68 6.669 1.832 -0.840 486 3HG2 VAL 68 2HG2 VAL 68 6.954 1.564 -2.576 487 H MET 69 H MET 69 4.009 -0.387 -4.484 488 HA MET 69 HA MET 69 1.769 -0.974 -2.705 489 1HB MET 69 1HB MET 69 2.349 1.327 -4.576 490 2HB MET 69 2HB MET 69 0.684 0.786 -4.499 491 1HG MET 69 1HG MET 69 0.394 1.879 -2.531 492 2HG MET 69 2HG MET 69 1.669 0.931 -1.791 493 1HE MET 69 3HE MET 69 3.105 1.919 -0.594 494 2HE MET 69 1HE MET 69 4.056 3.400 -0.862 495 3HE MET 69 2HE MET 69 2.373 3.513 -0.290 496 H HIS 70 H HIS 70 3.484 -1.932 -5.437 497 HA HIS 70 HA HIS 70 1.120 -3.315 -6.443 498 1HB HIS 70 1HB HIS 70 3.214 -2.124 -8.272 499 2HB HIS 70 2HB HIS 70 1.714 -2.905 -8.727 500 HD1 HIS 70 HD1 HIS 70 3.053 0.322 -7.273 501 HD2 HIS 70 HD2 HIS 70 -0.572 -1.278 -8.649 502 HE1 HIS 70 HE1 HIS 70 1.427 2.280 -7.444 503 H ASP 71 H ASP 71 4.719 -3.053 -6.936 504 HA ASP 71 HA ASP 71 5.291 -5.467 -7.780 505 1HB ASP 71 1HB ASP 71 6.779 -3.458 -6.797 506 2HB ASP 71 2HB ASP 71 6.878 -4.505 -5.395 507 H LYS 72 H LYS 72 5.255 -7.619 -6.998 508 HA LYS 72 HA LYS 72 4.225 -7.940 -4.273 509 1HB LYS 72 1HB LYS 72 4.141 -9.958 -6.528 510 2HB LYS 72 2HB LYS 72 3.288 -10.026 -4.999 511 1HG LYS 72 1HG LYS 72 1.554 -8.944 -5.980 512 2HG LYS 72 2HG LYS 72 2.567 -7.518 -6.101 513 1HD LYS 72 1HD LYS 72 1.928 -7.879 -8.343 514 2HD LYS 72 2HD LYS 72 3.516 -8.618 -8.281 515 1HE LYS 72 1HE LYS 72 2.246 -10.833 -7.686 516 2HE LYS 72 2HE LYS 72 0.808 -10.001 -8.244 517 1HZ LYS 72 1HZ LYS 72 1.666 -11.053 -10.146 518 2HZ LYS 72 2HZ LYS 72 2.187 -9.522 -10.339 519 H ASN 73 H ASN 73 6.980 -8.368 -6.361 520 HA ASN 73 HA ASN 73 8.079 -10.460 -4.752 521 1HB ASN 73 1HB ASN 73 9.017 -8.847 -7.155 522 2HB ASN 73 2HB ASN 73 10.175 -9.811 -6.260 523 1HD2 ASN 73 2HD2 ASN 73 9.416 -12.693 -7.990 524 2HD2 ASN 73 1HD2 ASN 73 10.559 -11.646 -7.217 525 H THR 74 H THR 74 7.598 -8.594 -2.907 526 HA THR 74 HA THR 74 10.113 -7.084 -2.603 527 HB THR 74 HB THR 74 8.670 -5.466 -1.292 528 HG1 THR 74 HG1 THR 74 6.665 -6.282 -0.842 529 1HG2 THR 74 3HG2 THR 74 8.514 -5.950 -4.175 530 2HG2 THR 74 1HG2 THR 74 6.957 -5.341 -3.564 531 3HG2 THR 74 2HG2 THR 74 8.446 -4.400 -3.302 532 H LYS 75 H LYS 75 10.863 -6.780 -0.369 533 HA LYS 75 HA LYS 75 10.901 -9.254 0.962 534 1HB LYS 75 1HB LYS 75 12.796 -7.756 1.019 535 2HB LYS 75 2HB LYS 75 11.845 -6.491 1.771 536 1HG LYS 75 1HG LYS 75 11.835 -7.529 3.855 537 2HG LYS 75 2HG LYS 75 11.885 -9.144 3.177 538 1HD LYS 75 1HD LYS 75 14.223 -9.096 2.864 539 2HD LYS 75 2HD LYS 75 14.286 -7.346 2.798 540 1HE LYS 75 1HE LYS 75 13.541 -7.387 5.292 541 2HE LYS 75 2HE LYS 75 13.908 -9.100 5.260 542 1HZ LYS 75 1HZ LYS 75 15.729 -7.132 5.709 543 2HZ LYS 75 2HZ LYS 75 16.111 -8.657 5.285 544 H PHE 76 H PHE 76 8.778 -6.452 1.097 545 HA PHE 76 HA PHE 76 7.476 -7.647 3.451 546 1HB PHE 76 1HB PHE 76 7.693 -4.784 2.332 547 2HB PHE 76 2HB PHE 76 6.640 -5.194 3.672 548 HD1 PHE 76 HD2 PHE 76 7.928 -6.548 5.644 549 HD2 PHE 76 HD1 PHE 76 9.752 -3.863 2.857 550 HE1 PHE 76 HE2 PHE 76 9.849 -6.160 7.264 551 HE2 PHE 76 HE1 PHE 76 11.667 -3.484 4.486 552 HZ PHE 76 HZ PHE 76 11.634 -4.723 6.705 553 H LYS 77 H LYS 77 5.098 -7.458 3.520 554 HA LYS 77 HA LYS 77 3.953 -8.250 1.091 555 1HB LYS 77 1HB LYS 77 3.034 -7.716 3.866 556 2HB LYS 77 2HB LYS 77 1.807 -7.624 2.619 557 1HG LYS 77 1HG LYS 77 2.872 -9.906 1.778 558 2HG LYS 77 2HG LYS 77 3.536 -9.988 3.397 559 1HD LYS 77 1HD LYS 77 1.053 -9.460 4.162 560 2HD LYS 77 2HD LYS 77 0.625 -9.992 2.548 561 1HE LYS 77 1HE LYS 77 2.090 -12.102 3.066 562 2HE LYS 77 2HE LYS 77 2.003 -11.589 4.740 563 1HZ LYS 77 1HZ LYS 77 0.144 -13.121 3.620 564 2HZ LYS 77 2HZ LYS 77 -0.207 -12.107 4.846 565 H SER 78 H SER 78 3.290 -7.088 -0.631 566 HA SER 78 HA SER 78 3.163 -4.223 -0.267 567 1HB SER 78 1HB SER 78 3.669 -4.024 -2.526 568 2HB SER 78 2HB SER 78 4.452 -5.550 -2.165 569 HG SER 78 HG SER 78 3.233 -5.879 -4.034 570 H CYS 79 H CYS 79 1.336 -2.998 -1.335 571 HA CYS 79 HA CYS 79 -1.087 -3.707 -0.421 572 1HB CYS 79 1HB CYS 79 -0.622 -2.187 -2.994 573 2HB CYS 79 2HB CYS 79 -2.053 -2.125 -1.985 574 H VAL 80 H VAL 80 -0.135 -3.991 -3.931 575 HA VAL 80 HA VAL 80 -2.267 -5.702 -4.552 576 HB VAL 80 HB VAL 80 0.370 -5.160 -5.928 577 1HG1 VAL 80 1HG1 VAL 80 -1.899 -6.938 -6.629 578 2HG1 VAL 80 2HG1 VAL 80 -1.309 -5.879 -7.932 579 3HG1 VAL 80 3HG1 VAL 80 -0.191 -7.003 -7.123 580 1HG2 VAL 80 2HG2 VAL 80 -1.298 -3.248 -5.498 581 2HG2 VAL 80 3HG2 VAL 80 -0.731 -3.492 -7.168 582 3HG2 VAL 80 1HG2 VAL 80 -2.344 -4.067 -6.683 583 H GLY 81 H GLY 81 1.089 -6.237 -3.427 584 1HA GLY 81 1HA GLY 81 1.421 -8.910 -3.991 585 2HA GLY 81 2HA GLY 81 2.087 -8.076 -2.602 586 H CYS 82 H CYS 82 0.143 -7.509 -0.879 587 HA CYS 82 HA CYS 82 -0.584 -9.998 0.145 588 1HB CYS 82 1HB CYS 82 -0.204 -7.996 1.538 589 2HB CYS 82 2HB CYS 82 -1.642 -7.247 0.873 590 H HIS 83 H HIS 83 -2.374 -7.409 -1.644 591 HA HIS 83 HA HIS 83 -4.895 -8.467 -1.476 592 1HB HIS 83 1HB HIS 83 -3.480 -6.756 -3.501 593 2HB HIS 83 2HB HIS 83 -5.112 -7.307 -3.822 594 HD1 HIS 83 HD1 HIS 83 -6.038 -4.872 -3.655 595 HD2 HIS 83 HD2 HIS 83 -4.233 -6.281 -0.140 596 HE1 HIS 83 HE1 HIS 83 -6.682 -3.229 -1.811 597 H VAL 84 H VAL 84 -2.231 -9.219 -3.794 598 HA VAL 84 HA VAL 84 -3.687 -10.895 -5.456 599 HB VAL 84 HB VAL 84 -0.775 -10.778 -4.674 600 1HG1 VAL 84 1HG1 VAL 84 -2.149 -12.891 -6.077 601 2HG1 VAL 84 2HG1 VAL 84 -1.030 -12.058 -7.182 602 3HG1 VAL 84 3HG1 VAL 84 -0.425 -12.749 -5.657 603 1HG2 VAL 84 1HG2 VAL 84 -2.216 -8.996 -6.111 604 2HG2 VAL 84 2HG2 VAL 84 -0.488 -9.321 -6.390 605 3HG2 VAL 84 3HG2 VAL 84 -1.718 -10.107 -7.410 606 H GLU 85 H GLU 85 -2.117 -11.451 -2.282 607 HA GLU 85 HA GLU 85 -2.494 -14.248 -2.416 608 1HB GLU 85 1HB GLU 85 -1.407 -12.271 -0.498 609 2HB GLU 85 2HB GLU 85 -2.187 -13.634 0.279 610 1HG GLU 85 1HG GLU 85 -0.587 -14.632 -1.921 611 2HG GLU 85 2HG GLU 85 0.404 -13.549 -0.965 612 H VAL 86 H VAL 86 -4.351 -11.444 -1.235 613 HA VAL 86 HA VAL 86 -6.208 -13.023 0.248 614 HB VAL 86 HB VAL 86 -6.304 -10.172 -0.759 615 1HG1 VAL 86 2HG1 VAL 86 -8.024 -11.592 1.302 616 2HG1 VAL 86 3HG1 VAL 86 -8.034 -9.840 0.984 617 3HG1 VAL 86 1HG1 VAL 86 -8.550 -10.978 -0.283 618 1HG2 VAL 86 1HG2 VAL 86 -4.497 -11.113 0.983 619 2HG2 VAL 86 2HG2 VAL 86 -5.221 -9.494 1.131 620 3HG2 VAL 86 3HG2 VAL 86 -5.847 -10.841 2.111 621 H ALA 87 H ALA 87 -6.310 -11.239 -2.916 622 HA ALA 87 HA ALA 87 -8.863 -12.238 -3.585 623 1HB ALA 87 3HB ALA 87 -7.939 -10.160 -4.508 624 2HB ALA 87 1HB ALA 87 -6.624 -11.071 -5.289 625 3HB ALA 87 2HB ALA 87 -8.306 -11.306 -5.820 626 H GLY 88 H GLY 88 -5.485 -13.302 -4.199 627 1HA GLY 88 1HA GLY 88 -4.683 -15.112 -5.310 628 2HA GLY 88 2HA GLY 88 -5.832 -15.952 -4.287 629 H ALA 89 H ALA 89 -6.955 -17.435 -5.470 630 HA ALA 89 HA ALA 89 -7.706 -16.670 -8.201 631 1HB ALA 89 3HB ALA 89 -6.253 -18.733 -7.718 632 2HB ALA 89 1HB ALA 89 -7.711 -19.454 -6.994 633 3HB ALA 89 2HB ALA 89 -7.705 -18.994 -8.714 634 H ASP 90 H ASP 90 -9.308 -15.293 -6.699 635 HA ASP 90 HA ASP 90 -11.600 -17.010 -6.164 636 1HB ASP 90 1HB ASP 90 -10.414 -15.283 -4.435 637 2HB ASP 90 2HB ASP 90 -11.500 -14.155 -5.220 638 H ALA 91 H ALA 91 -10.198 -14.650 -8.250 639 HA ALA 91 HA ALA 91 -10.946 -13.423 -9.931 640 1HB ALA 91 1HB ALA 91 -13.262 -15.373 -9.670 641 2HB ALA 91 2HB ALA 91 -13.138 -14.184 -10.989 642 3HB ALA 91 3HB ALA 91 -11.893 -15.443 -10.805 643 H ALA 92 H ALA 92 -12.346 -11.590 -10.488 644 HA ALA 92 HA ALA 92 -13.769 -9.928 -10.057 645 1HB ALA 92 2HB ALA 92 -15.211 -11.865 -9.061 646 2HB ALA 92 3HB ALA 92 -14.679 -11.231 -7.485 647 3HB ALA 92 1HB ALA 92 -15.593 -10.188 -8.602 648 H LYS 93 H LYS 93 -12.347 -11.274 -6.995 649 HA LYS 93 HA LYS 93 -11.921 -8.693 -5.907 650 1HB LYS 93 1HB LYS 93 -10.935 -11.456 -5.162 651 2HB LYS 93 2HB LYS 93 -10.517 -10.019 -4.251 652 1HG LYS 93 1HG LYS 93 -13.073 -9.543 -4.140 653 2HG LYS 93 2HG LYS 93 -13.292 -11.186 -4.712 654 1HD LYS 93 1HD LYS 93 -12.204 -12.120 -2.768 655 2HD LYS 93 2HD LYS 93 -11.561 -10.563 -2.284 656 1HE LYS 93 1HE LYS 93 -13.483 -9.987 -1.194 657 2HE LYS 93 2HE LYS 93 -14.493 -10.485 -2.536 658 1HZ LYS 93 1HZ LYS 93 -14.134 -11.856 -0.160 659 2HZ LYS 93 2HZ LYS 93 -14.941 -12.395 -1.467 660 H LYS 94 H LYS 94 -9.992 -11.000 -7.853 661 HA LYS 94 HA LYS 94 -7.538 -9.682 -7.523 662 1HB LYS 94 1HB LYS 94 -8.649 -11.863 -9.129 663 2HB LYS 94 2HB LYS 94 -7.444 -10.936 -10.001 664 1HG LYS 94 1HG LYS 94 -6.880 -11.755 -7.141 665 2HG LYS 94 2HG LYS 94 -6.714 -12.947 -8.415 666 1HD LYS 94 1HD LYS 94 -5.449 -10.367 -9.111 667 2HD LYS 94 2HD LYS 94 -4.776 -11.071 -7.655 668 1HE LYS 94 1HE LYS 94 -4.566 -13.284 -8.967 669 2HE LYS 94 2HE LYS 94 -4.966 -12.371 -10.408 670 1HZ LYS 94 1HZ LYS 94 -2.823 -11.757 -10.495 671 2HZ LYS 94 2HZ LYS 94 -2.960 -10.954 -9.085 672 H LYS 95 H LYS 95 -10.440 -8.680 -9.009 673 HA LYS 95 HA LYS 95 -8.946 -6.833 -10.738 674 1HB LYS 95 1HB LYS 95 -10.941 -8.598 -11.455 675 2HB LYS 95 2HB LYS 95 -11.836 -7.111 -11.215 676 1HG LYS 95 1HG LYS 95 -10.618 -5.944 -12.878 677 2HG LYS 95 2HG LYS 95 -9.245 -7.029 -12.781 678 1HD LYS 95 1HD LYS 95 -11.799 -8.340 -13.588 679 2HD LYS 95 2HD LYS 95 -11.203 -7.148 -14.727 680 1HE LYS 95 1HE LYS 95 -9.604 -8.580 -15.461 681 2HE LYS 95 2HE LYS 95 -8.960 -8.750 -13.841 682 1HZ LYS 95 1HZ LYS 95 -11.369 -10.247 -14.696 683 2HZ LYS 95 2HZ LYS 95 -9.871 -10.846 -14.921 684 H ASP 96 H ASP 96 -10.546 -7.170 -7.773 685 HA ASP 96 HA ASP 96 -11.257 -4.342 -7.838 686 1HB ASP 96 1HB ASP 96 -12.684 -6.700 -6.893 687 2HB ASP 96 2HB ASP 96 -12.404 -5.616 -5.545 688 H LEU 97 H LEU 97 -8.886 -6.477 -6.941 689 HA LEU 97 HA LEU 97 -8.247 -4.942 -4.522 690 1HB LEU 97 1HB LEU 97 -8.001 -7.911 -4.990 691 2HB LEU 97 2HB LEU 97 -7.120 -7.071 -3.729 692 HG LEU 97 HG LEU 97 -10.099 -7.476 -3.981 693 1HD1 LEU 97 1HD1 LEU 97 -8.245 -9.028 -2.787 694 2HD1 LEU 97 2HD1 LEU 97 -8.643 -7.932 -1.442 695 3HD1 LEU 97 3HD1 LEU 97 -9.928 -8.882 -2.226 696 1HD2 LEU 97 2HD2 LEU 97 -8.642 -5.296 -2.580 697 2HD2 LEU 97 3HD2 LEU 97 -10.282 -5.331 -3.270 698 3HD2 LEU 97 1HD2 LEU 97 -9.963 -6.093 -1.693 699 H THR 98 H THR 98 -7.063 -6.913 -7.308 700 HA THR 98 HA THR 98 -4.580 -5.329 -7.181 701 HB THR 98 HB THR 98 -3.405 -7.301 -7.908 702 HG1 THR 98 HG1 THR 98 -6.115 -8.377 -8.255 703 1HG2 THR 98 1HG2 THR 98 -5.679 -8.248 -6.083 704 2HG2 THR 98 2HG2 THR 98 -4.179 -9.153 -6.399 705 3HG2 THR 98 3HG2 THR 98 -4.115 -7.597 -5.537 706 H GLY 99 H GLY 99 -7.406 -5.086 -8.578 707 1HA GLY 99 1HA GLY 99 -6.974 -5.354 -11.342 708 2HA GLY 99 2HA GLY 99 -8.171 -4.344 -10.557 709 H CYS 100 H CYS 100 -6.566 -3.713 -12.957 710 HA CYS 100 HA CYS 100 -4.669 -1.752 -12.003 711 1HB CYS 100 1HB CYS 100 -5.275 -3.061 -14.592 712 2HB CYS 100 2HB CYS 100 -4.708 -1.406 -14.683 713 H LYS 101 H LYS 101 -7.605 -1.913 -14.159 714 HA LYS 101 HA LYS 101 -8.206 0.830 -13.295 715 1HB LYS 101 1HB LYS 101 -7.482 1.055 -15.531 716 2HB LYS 101 2HB LYS 101 -8.318 -0.394 -16.051 717 1HG LYS 101 1HG LYS 101 -9.953 1.846 -14.853 718 2HG LYS 101 2HG LYS 101 -9.351 2.042 -16.487 719 1HD LYS 101 1HD LYS 101 -10.612 -0.606 -15.901 720 2HD LYS 101 2HD LYS 101 -11.702 0.766 -15.860 721 1HE LYS 101 1HE LYS 101 -9.801 0.207 -18.185 722 2HE LYS 101 2HE LYS 101 -11.459 -0.358 -18.143 723 1HZ LYS 101 1HZ LYS 101 -11.933 2.166 -17.660 724 2HZ LYS 101 2HZ LYS 101 -10.489 2.402 -18.375 725 H LYS 102 H LYS 102 -10.258 1.194 -12.530 726 HA LYS 102 HA LYS 102 -12.385 0.813 -12.014 727 1HB LYS 102 1HB LYS 102 -12.086 -0.743 -14.388 728 2HB LYS 102 2HB LYS 102 -13.012 -1.696 -13.245 729 1HG LYS 102 1HG LYS 102 -14.601 -0.346 -14.461 730 2HG LYS 102 2HG LYS 102 -14.494 0.339 -12.852 731 1HD LYS 102 1HD LYS 102 -12.466 1.683 -14.256 732 2HD LYS 102 2HD LYS 102 -13.742 1.528 -15.447 733 1HE LYS 102 1HE LYS 102 -14.967 2.277 -12.941 734 2HE LYS 102 2HE LYS 102 -13.601 3.342 -13.206 735 1HZ LYS 102 1HZ LYS 102 -14.667 4.329 -14.920 736 2HZ LYS 102 2HZ LYS 102 -15.163 2.929 -15.588 737 H SER 103 H SER 103 -10.341 0.186 -10.276 738 HA SER 103 HA SER 103 -11.337 -2.296 -9.108 739 1HB SER 103 1HB SER 103 -8.882 -1.967 -7.922 740 2HB SER 103 2HB SER 103 -9.176 -2.978 -9.323 741 HG SER 103 HG SER 103 -8.451 -0.178 -9.484 742 H LYS 104 H LYS 104 -10.289 -2.119 -6.547 743 HA LYS 104 HA LYS 104 -11.935 -0.075 -5.429 744 1HB LYS 104 1HB LYS 104 -10.116 -2.172 -4.220 745 2HB LYS 104 2HB LYS 104 -11.051 -1.042 -3.262 746 1HG LYS 104 1HG LYS 104 -12.381 -2.741 -5.404 747 2HG LYS 104 2HG LYS 104 -12.095 -3.384 -3.799 748 1HD LYS 104 1HD LYS 104 -13.228 -0.979 -3.136 749 2HD LYS 104 2HD LYS 104 -14.008 -1.255 -4.681 750 1HE LYS 104 1HE LYS 104 -13.907 -3.603 -2.813 751 2HE LYS 104 2HE LYS 104 -14.948 -2.277 -2.333 752 1HZ LYS 104 1HZ LYS 104 -16.365 -3.431 -3.702 753 2HZ LYS 104 2HZ LYS 104 -15.698 -2.490 -4.851 754 H CYS 105 H CYS 105 -8.499 -0.518 -6.190 755 HA CYS 105 HA CYS 105 -7.719 1.708 -4.558 756 1HB CYS 105 1HB CYS 105 -6.124 0.145 -6.616 757 2HB CYS 105 2HB CYS 105 -5.474 1.313 -5.483 758 H HIS 106 H HIS 106 -7.539 0.924 -8.118 759 HA HIS 106 HA HIS 106 -7.694 3.790 -8.630 760 1HB HIS 106 1HB HIS 106 -6.853 1.492 -10.417 761 2HB HIS 106 2HB HIS 106 -6.906 3.174 -10.905 762 HD1 HIS 106 HD1 HIS 106 -5.464 4.722 -8.850 763 HD2 HIS 106 HD2 HIS 106 -4.276 0.829 -9.862 764 HE1 HIS 106 HE1 HIS 106 -3.021 4.514 -8.143 765 H GLU 107 H GLU 107 -9.443 4.715 -9.646 766 HA GLU 107 HA GLU 107 -11.585 2.851 -10.281 767 1HB GLU 107 1HB GLU 107 -11.551 5.740 -9.365 768 2HB GLU 107 2HB GLU 107 -12.968 5.083 -10.158 769 1HG GLU 107 1HG GLU 107 -12.622 3.095 -8.384 770 2HG GLU 107 2HG GLU 107 -11.766 4.337 -7.492 771 HHA HEC 108 HHA HEC 108 -0.957 6.715 7.540 772 HHB HEC 108 HHB HEC 108 -1.823 4.002 13.284 773 HHC HEC 108 HHC HEC 108 -2.724 -1.685 10.473 774 HHD HEC 108 HHD HEC 108 -1.222 0.945 4.761 775 1HMA HEC 108 1HMA HEC 108 -0.970 5.982 13.555 776 2HMA HEC 108 2HMA HEC 108 -0.767 7.565 12.768 777 3HMA HEC 108 3HMA HEC 108 -2.400 6.925 13.070 778 1HAA HEC 108 1HAA HEC 108 -0.618 8.102 8.889 779 2HAA HEC 108 2HAA HEC 108 -1.743 8.599 10.176 780 1HBA HEC 108 1HBA HEC 108 0.687 7.836 11.428 781 2HBA HEC 108 2HBA HEC 108 1.093 8.888 10.050 782 1HMB HEC 108 1HMB HEC 108 -2.620 0.861 15.124 783 2HMB HEC 108 2HMB HEC 108 -2.046 2.513 14.790 784 3HMB HEC 108 3HMB HEC 108 -3.778 2.128 14.651 785 HAB HEC 108 HAB HEC 108 -3.400 -1.836 12.333 786 1HBB HEC 108 1HBB HEC 108 -5.097 -1.843 13.790 787 2HBB HEC 108 2HBB HEC 108 -4.200 -0.895 15.001 788 3HBB HEC 108 3HBB HEC 108 -5.010 -0.071 13.647 789 1HMC HEC 108 1HMC HEC 108 -2.431 -3.216 9.040 790 2HMC HEC 108 2HMC HEC 108 -3.726 -3.145 7.821 791 3HMC HEC 108 3HMC HEC 108 -2.084 -3.641 7.347 792 HAC HEC 108 HAC HEC 108 -2.072 -0.950 4.400 793 1HBC HEC 108 1HBC HEC 108 -3.786 -2.610 5.543 794 2HBC HEC 108 2HBC HEC 108 -3.096 -2.932 3.934 795 3HBC HEC 108 3HBC HEC 108 -2.430 -3.749 5.368 796 1HMD HEC 108 1HMD HEC 108 0.112 4.064 3.083 797 2HMD HEC 108 2HMD HEC 108 0.106 2.336 3.509 798 3HMD HEC 108 3HMD HEC 108 -1.405 3.136 3.015 799 1HAD HEC 108 1HAD HEC 108 -0.602 6.959 5.573 800 2HAD HEC 108 2HAD HEC 108 0.818 6.177 4.837 801 1HBD HEC 108 1HBD HEC 108 -1.367 5.457 3.222 802 2HBD HEC 108 2HBD HEC 108 -1.577 7.185 3.595 803 HHA HEC 109 HHA HEC 109 11.527 -2.171 1.679 804 HHB HEC 109 HHB HEC 109 5.168 -1.411 1.369 805 HHC HEC 109 HHC HEC 109 5.548 3.489 5.484 806 HHD HEC 109 HHD HEC 109 12.014 3.355 4.895 807 1HMA HEC 109 1HMA HEC 109 6.648 -3.240 -0.856 808 2HMA HEC 109 2HMA HEC 109 6.849 -4.485 0.400 809 3HMA HEC 109 3HMA HEC 109 5.612 -3.221 0.591 810 1HAA HEC 109 1HAA HEC 109 10.764 -3.807 0.782 811 2HAA HEC 109 2HAA HEC 109 9.293 -4.719 0.368 812 1HBA HEC 109 1HBA HEC 109 9.102 -3.409 -1.718 813 2HBA HEC 109 2HBA HEC 109 10.623 -2.579 -1.309 814 1HMB HEC 109 1HMB HEC 109 2.612 0.368 1.836 815 2HMB HEC 109 2HMB HEC 109 3.324 -1.206 2.263 816 3HMB HEC 109 3HMB HEC 109 2.345 -0.319 3.456 817 HAB HEC 109 HAB HEC 109 3.644 2.896 5.439 818 1HBB HEC 109 1HBB HEC 109 1.381 1.205 4.545 819 2HBB HEC 109 2HBB HEC 109 2.634 0.408 5.527 820 3HBB HEC 109 3HBB HEC 109 1.785 1.840 6.158 821 1HMC HEC 109 1HMC HEC 109 7.690 5.283 7.697 822 2HMC HEC 109 2HMC HEC 109 7.575 6.279 6.226 823 3HMC HEC 109 3HMC HEC 109 6.351 5.029 6.554 824 HAC HEC 109 HAC HEC 109 11.587 4.896 6.021 825 1HBC HEC 109 1HBC HEC 109 10.645 4.286 8.267 826 2HBC HEC 109 2HBC HEC 109 11.439 5.876 8.180 827 3HBC HEC 109 3HBC HEC 109 9.663 5.767 8.182 828 1HMD HEC 109 1HMD HEC 109 14.618 2.211 3.122 829 2HMD HEC 109 2HMD HEC 109 13.831 2.672 4.650 830 3HMD HEC 109 3HMD HEC 109 14.743 1.147 4.543 831 1HAD HEC 109 1HAD HEC 109 13.491 -1.883 2.145 832 2HAD HEC 109 2HAD HEC 109 14.208 -0.447 1.375 833 1HBD HEC 109 1HBD HEC 109 14.752 -0.833 4.272 834 2HBD HEC 109 2HBD HEC 109 15.517 -1.967 3.134 835 HHA HEC 110 HHA HEC 110 -10.250 -4.707 0.792 836 HHB HEC 110 HHB HEC 110 -6.424 0.130 -0.963 837 HHC HEC 110 HHC HEC 110 -1.508 -2.718 1.994 838 HHD HEC 110 HHD HEC 110 -5.182 -7.875 3.115 839 1HMA HEC 110 1HMA HEC 110 -10.088 0.252 -1.173 840 2HMA HEC 110 2HMA HEC 110 -8.368 0.695 -1.290 841 3HMA HEC 110 3HMA HEC 110 -9.119 -0.300 -2.561 842 1HAA HEC 110 1HAA HEC 110 -11.226 -2.192 -1.656 843 2HAA HEC 110 2HAA HEC 110 -11.280 -3.559 -0.517 844 1HBA HEC 110 1HBA HEC 110 -12.766 -1.346 -0.248 845 2HBA HEC 110 2HBA HEC 110 -12.208 -2.322 1.132 846 1HMB HEC 110 1HMB HEC 110 -2.945 1.066 -1.598 847 2HMB HEC 110 2HMB HEC 110 -4.725 1.042 -1.622 848 3HMB HEC 110 3HMB HEC 110 -3.863 1.835 -0.281 849 HAB HEC 110 HAB HEC 110 -0.798 -1.079 1.100 850 1HBB HEC 110 1HBB HEC 110 -1.500 1.658 0.042 851 2HBB HEC 110 2HBB HEC 110 -1.768 1.177 1.735 852 3HBB HEC 110 3HBB HEC 110 -0.122 1.176 1.060 853 1HMC HEC 110 1HMC HEC 110 -0.359 -5.379 3.827 854 2HMC HEC 110 2HMC HEC 110 -0.083 -6.025 2.191 855 3HMC HEC 110 3HMC HEC 110 -0.265 -4.271 2.437 856 HAC HEC 110 HAC HEC 110 -3.262 -8.051 4.204 857 1HBC HEC 110 1HBC HEC 110 -1.021 -8.613 4.830 858 2HBC HEC 110 2HBC HEC 110 -0.346 -7.474 3.639 859 3HBC HEC 110 3HBC HEC 110 -1.243 -6.860 5.049 860 1HMD HEC 110 1HMD HEC 110 -6.879 -9.251 2.932 861 2HMD HEC 110 2HMD HEC 110 -7.773 -8.557 4.306 862 3HMD HEC 110 3HMD HEC 110 -8.659 -9.276 2.940 863 1HAD HEC 110 1HAD HEC 110 -10.401 -8.073 2.601 864 2HAD HEC 110 2HAD HEC 110 -10.911 -6.370 2.515 865 1HBD HEC 110 1HBD HEC 110 -11.637 -6.629 0.437 866 2HBD HEC 110 2HBD HEC 110 -10.085 -7.324 -0.088 867 HHA HEC 111 HHA HEC 111 0.403 5.587 -7.610 868 HHB HEC 111 HHB HEC 111 -0.498 2.133 -12.936 869 HHC HEC 111 HHC HEC 111 -3.203 -2.537 -9.481 870 HHD HEC 111 HHD HEC 111 -2.943 1.281 -4.248 871 1HMA HEC 111 1HMA HEC 111 1.608 3.879 -13.071 872 2HMA HEC 111 2HMA HEC 111 -0.045 4.416 -13.452 873 3HMA HEC 111 3HMA HEC 111 1.142 5.576 -12.809 874 1HAA HEC 111 1HAA HEC 111 0.604 7.037 -10.646 875 2HAA HEC 111 2HAA HEC 111 1.266 6.553 -9.066 876 1HBA HEC 111 1HBA HEC 111 3.333 6.304 -9.883 877 2HBA HEC 111 2HBA HEC 111 2.763 5.494 -11.362 878 1HMB HEC 111 1HMB HEC 111 -1.814 -0.450 -14.444 879 2HMB HEC 111 2HMB HEC 111 -0.334 0.438 -14.008 880 3HMB HEC 111 3HMB HEC 111 -0.356 -1.341 -13.945 881 HAB HEC 111 HAB HEC 111 -3.266 -3.063 -11.556 882 1HBB HEC 111 1HBB HEC 111 -1.011 -3.759 -10.760 883 2HBB HEC 111 2HBB HEC 111 -1.669 -4.773 -12.066 884 3HBB HEC 111 3HBB HEC 111 -0.412 -3.566 -12.425 885 1HMC HEC 111 1HMC HEC 111 -4.488 -3.280 -8.047 886 2HMC HEC 111 2HMC HEC 111 -4.256 -3.617 -6.315 887 3HMC HEC 111 3HMC HEC 111 -5.688 -2.711 -6.862 888 HAC HEC 111 HAC HEC 111 -3.895 -0.387 -3.714 889 1HBC HEC 111 1HBC HEC 111 -3.344 -2.935 -4.367 890 2HBC HEC 111 2HBC HEC 111 -4.106 -2.453 -2.833 891 3HBC HEC 111 3HBC HEC 111 -5.110 -3.049 -4.176 892 1HMD HEC 111 1HMD HEC 111 -0.562 3.621 -2.690 893 2HMD HEC 111 2HMD HEC 111 -2.275 4.047 -2.919 894 3HMD HEC 111 3HMD HEC 111 -1.777 2.338 -2.907 895 1HAD HEC 111 1HAD HEC 111 0.592 5.284 -3.904 896 2HAD HEC 111 2HAD HEC 111 0.956 5.776 -5.576 897 1HBD HEC 111 1HBD HEC 111 -1.201 6.989 -5.648 898 2HBD HEC 111 2HBD HEC 111 -1.467 6.561 -3.941 No H/Q in entry = 898
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