NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
554736 | 2rsc | 11468 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -9.767 -7.396 10.033 2 H2 GLY 1 2H GLY 1 -8.839 -8.615 10.625 3 H3 GLY 1 3H GLY 1 -8.351 -7.054 10.807 4 HA2 GLY 1 1HA GLY 1 -8.088 -6.788 8.444 5 HA3 GLY 1 2HA GLY 1 -7.077 -8.097 9.069 6 H LYS 2 H LYS 2 -8.201 -7.596 6.424 7 HA LYS 2 HA LYS 2 -9.317 -10.248 5.807 8 HB2 LYS 2 1HB LYS 2 -11.229 -9.367 4.592 9 HB3 LYS 2 2HB LYS 2 -11.306 -8.843 6.269 10 HG2 LYS 2 1HG LYS 2 -10.520 -6.618 5.697 11 HG3 LYS 2 2HG LYS 2 -10.223 -7.071 4.022 12 HD2 LYS 2 1HD LYS 2 -13.025 -7.348 5.132 13 HD3 LYS 2 2HD LYS 2 -12.382 -5.757 4.763 14 HE2 LYS 2 1HE LYS 2 -13.578 -6.405 2.851 15 HE3 LYS 2 2HE LYS 2 -11.867 -6.462 2.429 16 HZ1 LYS 2 3HZ LYS 2 -13.252 -8.372 1.648 17 HZ2 LYS 2 1HZ LYS 2 -11.927 -8.824 2.459 18 HZ3 LYS 2 2HZ LYS 2 -13.410 -8.880 3.190 19 H THR 3 H THR 3 -9.496 -10.651 3.504 20 HA THR 3 HA THR 3 -7.383 -9.354 1.856 21 HB THR 3 HB THR 3 -8.830 -11.964 1.300 22 HG1 THR 3 1HG THR 3 -7.042 -12.938 2.267 23 HG21 THR 3 3HG2 THR 3 -6.751 -12.440 -0.017 24 HG22 THR 3 1HG2 THR 3 -7.628 -11.048 -0.652 25 HG23 THR 3 2HG2 THR 3 -6.170 -10.799 0.336 26 H PHE 4 H PHE 4 -7.823 -8.627 -0.188 27 HA PHE 4 HA PHE 4 -10.680 -8.132 -0.935 28 HB2 PHE 4 1HB PHE 4 -8.164 -6.491 -1.404 29 HB3 PHE 4 2HB PHE 4 -9.672 -6.151 -2.201 30 HD1 PHE 4 1HD PHE 4 -8.172 -6.456 1.251 31 HD2 PHE 4 2HD PHE 4 -11.250 -4.677 -1.204 32 HE1 PHE 4 1HE PHE 4 -8.965 -5.128 3.186 33 HE2 PHE 4 2HE PHE 4 -12.034 -3.372 0.739 34 HZ PHE 4 HZ PHE 4 -10.907 -3.600 2.944 35 H THR 5 H THR 5 -11.154 -8.156 -3.145 36 HA THR 5 HA THR 5 -9.438 -9.873 -4.902 37 HB THR 5 HB THR 5 -11.752 -10.663 -4.557 38 HG1 THR 5 1HG THR 5 -11.984 -11.042 -6.758 39 HG21 THR 5 3HG2 THR 5 -13.625 -9.569 -5.626 40 HG22 THR 5 1HG2 THR 5 -12.923 -8.416 -4.483 41 HG23 THR 5 2HG2 THR 5 -12.602 -8.255 -6.229 42 H ARG 6 H ARG 6 -9.295 -9.095 -7.228 43 HA ARG 6 HA ARG 6 -8.097 -6.531 -7.214 44 HB2 ARG 6 1HB ARG 6 -7.605 -8.355 -8.828 45 HB3 ARG 6 2HB ARG 6 -9.121 -8.009 -9.669 46 HG2 ARG 6 1HG ARG 6 -8.352 -5.710 -10.159 47 HG3 ARG 6 2HG ARG 6 -6.874 -5.973 -9.221 48 HD2 ARG 6 1HD ARG 6 -7.668 -7.503 -11.730 49 HD3 ARG 6 2HD ARG 6 -6.546 -6.138 -11.679 50 HE ARG 6 HE ARG 6 -5.275 -7.651 -9.936 51 HH11 ARG 6 1HH1 ARG 6 -6.902 -9.007 -12.787 52 HH12 ARG 6 2HH1 ARG 6 -5.767 -10.319 -12.894 53 HH21 ARG 6 1HH2 ARG 6 -3.779 -9.182 -10.259 54 HH22 ARG 6 2HH2 ARG 6 -4.025 -10.448 -11.447 55 H CYS 7 H CYS 7 -11.345 -7.424 -8.506 56 HA CYS 7 HA CYS 7 -12.130 -4.798 -9.294 57 HB2 CYS 7 1HB CYS 7 -13.884 -7.061 -8.266 58 HB3 CYS 7 2HB CYS 7 -14.418 -5.669 -9.205 59 H GLY 8 H GLY 8 -12.340 -6.352 -6.101 60 HA2 GLY 8 1HA GLY 8 -13.836 -4.237 -4.800 61 HA3 GLY 8 2HA GLY 8 -12.880 -5.516 -4.007 62 H LEU 9 H LEU 9 -10.322 -5.037 -4.941 63 HA LEU 9 HA LEU 9 -9.393 -2.796 -3.460 64 HB2 LEU 9 1HB LEU 9 -8.128 -4.890 -3.938 65 HB3 LEU 9 2HB LEU 9 -8.058 -4.466 -5.650 66 HG LEU 9 HG LEU 9 -6.756 -2.440 -5.105 67 HD11 LEU 9 1HD1 LEU 9 -7.526 -1.896 -2.876 68 HD12 LEU 9 2HD1 LEU 9 -6.984 -3.465 -2.254 69 HD13 LEU 9 3HD1 LEU 9 -5.796 -2.235 -2.773 70 HD21 LEU 9 3HD2 LEU 9 -4.672 -3.546 -4.582 71 HD22 LEU 9 1HD2 LEU 9 -5.529 -4.918 -3.844 72 HD23 LEU 9 2HD2 LEU 9 -5.635 -4.628 -5.598 73 H VAL 10 H VAL 10 -9.690 -3.179 -7.039 74 HA VAL 10 HA VAL 10 -8.859 -0.602 -7.815 75 HB VAL 10 HB VAL 10 -10.997 -2.428 -8.973 76 HG11 VAL 10 1HG1 VAL 10 -11.728 -0.313 -9.777 77 HG12 VAL 10 2HG1 VAL 10 -10.079 0.266 -10.022 78 HG13 VAL 10 3HG1 VAL 10 -10.749 -0.980 -11.085 79 HG21 VAL 10 3HG2 VAL 10 -9.345 -2.847 -10.720 80 HG22 VAL 10 1HG2 VAL 10 -8.229 -1.672 -10.000 81 HG23 VAL 10 2HG2 VAL 10 -8.614 -3.171 -9.147 82 H HIS 11 H HIS 11 -12.115 -1.618 -6.725 83 HA HIS 11 HA HIS 11 -13.328 1.002 -6.916 84 HB2 HIS 11 1HB HIS 11 -14.080 -1.518 -5.393 85 HB3 HIS 11 2HB HIS 11 -15.055 -0.062 -5.397 86 HD2 HIS 11 2HD HIS 11 -13.694 -0.468 -8.857 87 HE1 HIS 11 1HE HIS 11 -17.491 -2.391 -8.910 88 HE2 HIS 11 2HE HIS 11 -15.614 -1.490 -10.359 89 H GLU 12 H GLU 12 -11.892 -0.743 -4.134 90 HA GLU 12 HA GLU 12 -12.536 1.173 -2.141 91 HB2 GLU 12 1HB GLU 12 -11.522 -1.311 -2.093 92 HB3 GLU 12 2HB GLU 12 -9.997 -0.459 -1.999 93 HG2 GLU 12 1HG GLU 12 -10.818 -1.084 0.199 94 HG3 GLU 12 2HG GLU 12 -10.807 0.683 0.047 95 H LEU 13 H LEU 13 -9.630 0.891 -4.218 96 HA LEU 13 HA LEU 13 -8.311 3.237 -3.148 97 HB2 LEU 13 1HB LEU 13 -8.026 1.773 -5.784 98 HB3 LEU 13 2HB LEU 13 -6.862 2.933 -5.154 99 HG LEU 13 HG LEU 13 -7.558 0.315 -3.816 100 HD11 LEU 13 1HD1 LEU 13 -6.435 -0.030 -5.950 101 HD12 LEU 13 2HD1 LEU 13 -5.174 1.149 -5.506 102 HD13 LEU 13 3HD1 LEU 13 -5.311 -0.390 -4.622 103 HD21 LEU 13 3HD2 LEU 13 -5.588 0.692 -2.438 104 HD22 LEU 13 1HD2 LEU 13 -5.341 2.291 -3.198 105 HD23 LEU 13 2HD2 LEU 13 -6.773 1.977 -2.190 106 H ARG 14 H ARG 14 -10.399 2.736 -6.011 107 HA ARG 14 HA ARG 14 -10.332 5.411 -7.014 108 HB2 ARG 14 1HB ARG 14 -12.474 3.273 -7.064 109 HB3 ARG 14 2HB ARG 14 -12.771 4.873 -7.740 110 HG2 ARG 14 1HG ARG 14 -11.046 4.656 -9.377 111 HG3 ARG 14 2HG ARG 14 -10.422 3.174 -8.631 112 HD2 ARG 14 1HD ARG 14 -12.477 1.980 -9.118 113 HD3 ARG 14 2HD ARG 14 -13.221 3.452 -9.789 114 HE ARG 14 HE ARG 14 -10.843 2.960 -11.220 115 HH11 ARG 14 1HH1 ARG 14 -14.036 1.468 -10.835 116 HH12 ARG 14 2HH1 ARG 14 -13.891 0.567 -12.330 117 HH21 ARG 14 1HH2 ARG 14 -10.803 1.792 -13.211 118 HH22 ARG 14 2HH2 ARG 14 -12.156 0.767 -13.611 119 H LYS 15 H LYS 15 -12.376 4.038 -4.395 120 HA LYS 15 HA LYS 15 -13.728 6.542 -3.787 121 HB2 LYS 15 1HB LYS 15 -13.362 3.925 -2.276 122 HB3 LYS 15 2HB LYS 15 -14.314 5.279 -1.659 123 HG2 LYS 15 1HG LYS 15 -15.836 5.181 -3.558 124 HG3 LYS 15 2HG LYS 15 -14.873 3.914 -4.331 125 HD2 LYS 15 1HD LYS 15 -15.315 2.397 -2.414 126 HD3 LYS 15 2HD LYS 15 -16.297 3.665 -1.646 127 HE2 LYS 15 1HE LYS 15 -17.808 3.674 -3.635 128 HE3 LYS 15 2HE LYS 15 -16.839 2.391 -4.371 129 HZ1 LYS 15 3HZ LYS 15 -18.786 1.493 -3.243 130 HZ2 LYS 15 1HZ LYS 15 -17.438 0.959 -2.488 131 HZ3 LYS 15 2HZ LYS 15 -18.338 2.151 -1.817 132 H HIS 16 H HIS 16 -10.701 5.100 -2.673 133 HA HIS 16 HA HIS 16 -10.311 7.124 -0.594 134 HB2 HIS 16 1HB HIS 16 -8.646 4.751 -1.520 135 HB3 HIS 16 2HB HIS 16 -8.222 5.814 -0.179 136 HD2 HIS 16 2HD HIS 16 -8.385 3.177 0.919 137 HE1 HIS 16 1HE HIS 16 -12.500 3.594 1.846 138 HE2 HIS 16 2HE HIS 16 -10.419 2.274 2.364 139 H GLY 17 H GLY 17 -9.936 7.469 -3.821 140 HA2 GLY 17 1HA GLY 17 -9.229 9.487 -4.780 141 HA3 GLY 17 2HA GLY 17 -8.181 9.814 -3.382 142 H PHE 18 H PHE 18 -8.090 6.791 -5.268 143 HA PHE 18 HA PHE 18 -5.356 7.451 -6.250 144 HB2 PHE 18 1HB PHE 18 -6.934 4.891 -6.072 145 HB3 PHE 18 2HB PHE 18 -5.381 5.017 -6.874 146 HD1 PHE 18 2HD PHE 18 -6.908 5.857 -3.488 147 HD2 PHE 18 1HD PHE 18 -3.501 4.386 -5.668 148 HE1 PHE 18 2HE PHE 18 -5.706 5.565 -1.389 149 HE2 PHE 18 1HE PHE 18 -2.306 4.002 -3.529 150 HZ PHE 18 HZ PHE 18 -3.397 4.588 -1.378 151 H GLU 19 H GLU 19 -4.929 7.689 -8.415 152 HA GLU 19 HA GLU 19 -7.114 8.467 -10.126 153 HB2 GLU 19 1HB GLU 19 -4.151 8.084 -10.691 154 HB3 GLU 19 2HB GLU 19 -5.291 8.811 -11.817 155 HG2 GLU 19 1HG GLU 19 -4.568 9.909 -9.065 156 HG3 GLU 19 2HG GLU 19 -3.950 10.487 -10.606 157 H GLU 20 H GLU 20 -8.171 7.380 -11.710 158 HA GLU 20 HA GLU 20 -8.028 4.583 -11.965 159 HB2 GLU 20 1HB GLU 20 -9.578 4.798 -13.798 160 HB3 GLU 20 2HB GLU 20 -10.014 5.884 -12.482 161 HG2 GLU 20 1HG GLU 20 -8.982 7.793 -13.744 162 HG3 GLU 20 2HG GLU 20 -8.609 6.690 -15.071 163 H ASN 21 H ASN 21 -6.099 6.994 -13.666 164 HA ASN 21 HA ASN 21 -5.151 5.208 -15.756 165 HB2 ASN 21 1HB ASN 21 -5.277 7.436 -16.384 166 HB3 ASN 21 2HB ASN 21 -4.773 8.042 -14.814 167 HD21 ASN 21 2HD2 ASN 21 -2.658 8.513 -14.414 168 HD22 ASN 21 1HD2 ASN 21 -1.379 8.205 -15.561 169 H LEU 22 H LEU 22 -4.286 5.810 -12.417 170 HA LEU 22 HA LEU 22 -1.640 4.435 -12.716 171 HB2 LEU 22 1HB LEU 22 -2.861 5.895 -10.339 172 HB3 LEU 22 2HB LEU 22 -1.249 5.197 -10.416 173 HG LEU 22 HG LEU 22 -2.269 7.575 -12.001 174 HD11 LEU 22 1HD1 LEU 22 -1.816 8.010 -9.614 175 HD12 LEU 22 2HD1 LEU 22 -0.182 7.335 -9.797 176 HD13 LEU 22 3HD1 LEU 22 -0.632 8.832 -10.646 177 HD21 LEU 22 3HD2 LEU 22 0.065 7.855 -12.805 178 HD22 LEU 22 1HD2 LEU 22 0.502 6.298 -12.076 179 HD23 LEU 22 2HD2 LEU 22 -0.660 6.366 -13.418 180 H MET 23 H MET 23 -4.885 3.831 -11.781 181 HA MET 23 HA MET 23 -4.784 2.126 -9.675 182 HB2 MET 23 1HB MET 23 -6.741 3.007 -11.087 183 HB3 MET 23 2HB MET 23 -6.534 1.602 -12.101 184 HG2 MET 23 1HG MET 23 -8.309 1.267 -10.425 185 HG3 MET 23 2HG MET 23 -6.994 0.123 -10.173 186 HE1 MET 23 3HE MET 23 -7.996 3.826 -7.643 187 HE2 MET 23 1HE MET 23 -6.734 4.019 -8.884 188 HE3 MET 23 2HE MET 23 -8.378 3.547 -9.347 189 H ARG 24 H ARG 24 -4.190 1.042 -13.059 190 HA ARG 24 HA ARG 24 -3.749 -1.686 -12.591 191 HB2 ARG 24 1HB ARG 24 -2.211 0.100 -14.538 192 HB3 ARG 24 2HB ARG 24 -2.344 -1.660 -14.598 193 HG2 ARG 24 1HG ARG 24 -4.832 -1.409 -14.905 194 HG3 ARG 24 2HG ARG 24 -4.591 0.348 -14.986 195 HD2 ARG 24 1HD ARG 24 -4.722 -0.411 -17.230 196 HD3 ARG 24 2HD ARG 24 -3.022 -0.013 -16.921 197 HE ARG 24 HE ARG 24 -3.631 -2.808 -16.396 198 HH11 ARG 24 1HH1 ARG 24 -2.956 -0.635 -19.110 199 HH12 ARG 24 2HH1 ARG 24 -2.429 -1.938 -20.131 200 HH21 ARG 24 1HH2 ARG 24 -2.921 -4.423 -17.746 201 HH22 ARG 24 2HH2 ARG 24 -2.415 -4.058 -19.366 202 H ASN 25 H ASN 25 -1.305 0.964 -12.402 203 HA ASN 25 HA ASN 25 0.914 -0.689 -11.650 204 HB2 ASN 25 1HB ASN 25 0.376 2.270 -11.100 205 HB3 ASN 25 2HB ASN 25 1.878 1.435 -10.749 206 HD21 ASN 25 2HD2 ASN 25 2.987 2.959 -12.102 207 HD22 ASN 25 1HD2 ASN 25 2.937 2.748 -13.847 208 H TRP 26 H TRP 26 -1.449 1.200 -9.681 209 HA TRP 26 HA TRP 26 -0.315 0.568 -7.155 210 HB2 TRP 26 1HB TRP 26 -3.049 1.511 -8.063 211 HB3 TRP 26 2HB TRP 26 -2.709 1.164 -6.378 212 HD1 TRP 26 HD TRP 26 -2.615 3.980 -8.692 213 HE1 TRP 26 1HE TRP 26 -1.412 5.976 -7.637 214 HE3 TRP 26 3HE TRP 26 -0.189 1.549 -4.890 215 HZ2 TRP 26 2HZ TRP 26 0.168 6.503 -5.259 216 HZ3 TRP 26 3HZ TRP 26 1.156 2.821 -3.247 217 HH2 TRP 26 HH TRP 26 1.321 5.298 -3.403 218 H VAL 27 H VAL 27 -3.111 -1.065 -8.818 219 HA VAL 27 HA VAL 27 -3.323 -2.976 -6.677 220 HB VAL 27 HB VAL 27 -4.790 -4.305 -7.925 221 HG11 VAL 27 1HG1 VAL 27 -5.554 -2.052 -7.095 222 HG12 VAL 27 2HG1 VAL 27 -5.410 -1.454 -8.758 223 HG13 VAL 27 3HG1 VAL 27 -6.532 -2.768 -8.384 224 HG21 VAL 27 3HG2 VAL 27 -5.339 -3.930 -10.318 225 HG22 VAL 27 1HG2 VAL 27 -3.950 -2.830 -10.443 226 HG23 VAL 27 2HG2 VAL 27 -3.704 -4.548 -10.061 227 H CYS 28 H CYS 28 -1.383 -3.076 -9.691 228 HA CYS 28 HA CYS 28 -0.558 -5.814 -9.339 229 HB2 CYS 28 1HB CYS 28 -0.597 -4.376 -11.418 230 HB3 CYS 28 2HB CYS 28 0.889 -3.622 -10.867 231 H LEU 29 H LEU 29 0.824 -2.749 -8.228 232 HA LEU 29 HA LEU 29 3.191 -3.755 -6.947 233 HB2 LEU 29 1HB LEU 29 2.787 -1.438 -7.555 234 HB3 LEU 29 2HB LEU 29 1.405 -1.316 -6.494 235 HG LEU 29 HG LEU 29 4.264 -1.699 -5.520 236 HD11 LEU 29 1HD1 LEU 29 3.936 0.443 -6.753 237 HD12 LEU 29 2HD1 LEU 29 2.531 0.814 -5.734 238 HD13 LEU 29 3HD1 LEU 29 4.154 0.730 -5.027 239 HD21 LEU 29 3HD2 LEU 29 3.293 -0.763 -3.371 240 HD22 LEU 29 1HD2 LEU 29 1.675 -0.967 -4.064 241 HD23 LEU 29 2HD2 LEU 29 2.720 -2.374 -3.758 242 H VAL 30 H VAL 30 -0.052 -2.967 -5.611 243 HA VAL 30 HA VAL 30 0.404 -3.964 -3.009 244 HB VAL 30 HB VAL 30 -2.115 -3.548 -4.635 245 HG11 VAL 30 1HG1 VAL 30 -2.772 -5.290 -3.080 246 HG12 VAL 30 2HG1 VAL 30 -1.963 -4.445 -1.745 247 HG13 VAL 30 3HG1 VAL 30 -3.411 -3.750 -2.512 248 HG21 VAL 30 3HG2 VAL 30 -2.404 -1.622 -3.139 249 HG22 VAL 30 1HG2 VAL 30 -0.981 -2.106 -2.189 250 HG23 VAL 30 2HG2 VAL 30 -0.789 -1.553 -3.859 251 H GLU 31 H GLU 31 -0.868 -5.733 -5.859 252 HA GLU 31 HA GLU 31 -1.364 -8.202 -4.547 253 HB2 GLU 31 1HB GLU 31 -0.756 -7.409 -7.415 254 HB3 GLU 31 2HB GLU 31 -0.954 -9.110 -6.979 255 HG2 GLU 31 1HG GLU 31 -3.162 -8.793 -6.172 256 HG3 GLU 31 2HG GLU 31 -3.052 -7.035 -6.268 257 H HIS 32 H HIS 32 1.779 -6.810 -5.376 258 HA HIS 32 HA HIS 32 3.111 -9.437 -4.929 259 HB2 HIS 32 1HB HIS 32 3.818 -8.073 -6.819 260 HB3 HIS 32 2HB HIS 32 4.186 -6.716 -5.751 261 HD2 HIS 32 2HD HIS 32 6.207 -7.188 -3.901 262 HE1 HIS 32 1HE HIS 32 8.073 -10.280 -6.158 263 HE2 HIS 32 2HE HIS 32 8.366 -8.676 -4.197 264 H GLU 33 H GLU 33 2.672 -6.232 -3.409 265 HA GLU 33 HA GLU 33 4.642 -6.705 -1.331 266 HB2 GLU 33 1HB GLU 33 2.437 -4.633 -1.621 267 HB3 GLU 33 2HB GLU 33 3.569 -4.660 -0.278 268 HG2 GLU 33 1HG GLU 33 4.301 -4.322 -3.213 269 HG3 GLU 33 2HG GLU 33 4.244 -3.052 -1.997 270 H SER 34 H SER 34 1.013 -6.551 -1.132 271 HA SER 34 HA SER 34 1.167 -8.150 1.415 272 HB2 SER 34 1HB SER 34 -0.932 -7.135 1.976 273 HB3 SER 34 2HB SER 34 0.244 -5.870 1.599 274 HG SER 34 HG SER 34 -0.986 -5.254 0.015 275 H SER 35 H SER 35 0.321 -8.468 -1.863 276 HA SER 35 HA SER 35 -0.982 -9.877 -3.085 277 HB2 SER 35 1HB SER 35 -1.561 -11.583 -0.679 278 HB3 SER 35 2HB SER 35 -1.549 -12.032 -2.383 279 HG SER 35 HG SER 35 0.745 -11.769 -2.375 280 H ARG 36 H ARG 36 -2.139 -7.590 -1.541 281 HA ARG 36 HA ARG 36 -4.116 -6.550 -1.332 282 HB2 ARG 36 1HB ARG 36 -5.703 -8.915 -2.342 283 HB3 ARG 36 2HB ARG 36 -6.107 -7.203 -2.370 284 HG2 ARG 36 1HG ARG 36 -4.154 -6.912 -4.014 285 HG3 ARG 36 2HG ARG 36 -4.099 -8.663 -4.118 286 HD2 ARG 36 1HD ARG 36 -6.608 -7.036 -4.696 287 HD3 ARG 36 2HD ARG 36 -5.477 -7.569 -5.930 288 HE ARG 36 HE ARG 36 -7.051 -9.366 -4.119 289 HH11 ARG 36 1HH1 ARG 36 -5.582 -8.953 -7.362 290 HH12 ARG 36 2HH1 ARG 36 -6.025 -10.575 -7.806 291 HH21 ARG 36 1HH2 ARG 36 -7.512 -11.408 -4.791 292 HH22 ARG 36 2HH2 ARG 36 -7.143 -11.915 -6.409 293 H ASP 37 H ASP 37 -2.979 -8.166 0.773 294 HA ASP 37 HA ASP 37 -5.414 -8.821 2.426 295 HB2 ASP 37 1HB ASP 37 -4.154 -10.841 1.878 296 HB3 ASP 37 2HB ASP 37 -2.688 -10.112 2.537 297 H THR 38 H THR 38 -5.788 -7.381 3.919 298 HA THR 38 HA THR 38 -3.859 -5.412 4.786 299 HB THR 38 HB THR 38 -5.537 -4.841 6.582 300 HG1 THR 38 1HG THR 38 -7.052 -6.817 5.230 301 HG21 THR 38 3HG2 THR 38 -7.269 -3.983 5.097 302 HG22 THR 38 1HG2 THR 38 -5.668 -3.748 4.376 303 HG23 THR 38 2HG2 THR 38 -6.728 -5.056 3.792 304 H SER 39 H SER 39 -4.613 -8.624 6.011 305 HA SER 39 HA SER 39 -3.455 -8.151 8.642 306 HB2 SER 39 1HB SER 39 -4.194 -10.710 7.179 307 HB3 SER 39 2HB SER 39 -3.727 -10.591 8.875 308 HG SER 39 HG SER 39 -6.009 -10.627 8.595 309 H LYS 40 H LYS 40 -1.901 -8.461 5.634 310 HA LYS 40 HA LYS 40 0.109 -10.370 6.402 311 HB2 LYS 40 1HB LYS 40 -0.729 -9.895 4.068 312 HB3 LYS 40 2HB LYS 40 0.219 -8.414 4.065 313 HG2 LYS 40 1HG LYS 40 2.291 -9.543 4.160 314 HG3 LYS 40 2HG LYS 40 1.585 -11.002 4.825 315 HD2 LYS 40 1HD LYS 40 1.421 -10.154 1.932 316 HD3 LYS 40 2HD LYS 40 2.396 -11.435 2.630 317 HE2 LYS 40 1HE LYS 40 0.273 -12.574 3.392 318 HE3 LYS 40 2HE LYS 40 -0.650 -11.340 2.519 319 HZ1 LYS 40 3HZ LYS 40 -0.324 -13.331 1.178 320 HZ2 LYS 40 1HZ LYS 40 0.423 -12.068 0.461 321 HZ3 LYS 40 2HZ LYS 40 1.300 -13.193 1.265 322 H THR 41 H THR 41 2.162 -10.168 7.083 323 HA THR 41 HA THR 41 3.462 -7.522 7.367 324 HB THR 41 HB THR 41 4.415 -8.272 9.580 325 HG1 THR 41 1HG THR 41 3.712 -10.493 9.318 326 HG21 THR 41 3HG2 THR 41 2.603 -7.607 10.991 327 HG22 THR 41 1HG2 THR 41 2.689 -6.567 9.580 328 HG23 THR 41 2HG2 THR 41 1.423 -7.820 9.663 329 H ASN 42 H ASN 42 5.679 -7.535 7.530 330 HA ASN 42 HA ASN 42 7.157 -10.052 7.062 331 HB2 ASN 42 1HB ASN 42 6.982 -7.716 5.113 332 HB3 ASN 42 2HB ASN 42 8.375 -8.781 5.148 333 HD21 ASN 42 2HD2 ASN 42 5.100 -8.459 4.037 334 HD22 ASN 42 1HD2 ASN 42 5.032 -10.037 3.257 335 H THR 43 H THR 43 9.086 -10.060 8.108 336 HA THR 43 HA THR 43 9.995 -7.644 9.559 337 HB THR 43 HB THR 43 11.243 -10.414 9.592 338 HG1 THR 43 1HG THR 43 9.869 -10.901 11.226 339 HG21 THR 43 3HG2 THR 43 11.848 -9.718 11.927 340 HG22 THR 43 1HG2 THR 43 12.592 -8.682 10.709 341 HG23 THR 43 2HG2 THR 43 11.168 -8.108 11.604 342 H ASN 44 H ASN 44 11.960 -6.658 9.273 343 HA ASN 44 HA ASN 44 13.387 -7.144 6.697 344 HB2 ASN 44 1HB ASN 44 13.317 -4.707 8.526 345 HB3 ASN 44 2HB ASN 44 14.199 -4.824 7.007 346 HD21 ASN 44 2HD2 ASN 44 10.984 -4.690 8.444 347 HD22 ASN 44 1HD2 ASN 44 10.154 -4.165 6.963 348 H ARG 45 H ARG 45 15.679 -6.979 6.636 349 HA ARG 45 HA ARG 45 17.132 -8.357 8.687 350 HB2 ARG 45 1HB ARG 45 18.226 -6.635 6.422 351 HB3 ARG 45 2HB ARG 45 19.131 -7.815 7.380 352 HG2 ARG 45 1HG ARG 45 17.543 -9.611 6.553 353 HG3 ARG 45 2HG ARG 45 16.797 -8.389 5.511 354 HD2 ARG 45 1HD ARG 45 18.333 -9.624 4.163 355 HD3 ARG 45 2HD ARG 45 19.017 -8.009 4.416 356 HE ARG 45 HE ARG 45 19.962 -9.870 6.412 357 HH11 ARG 45 1HH1 ARG 45 20.498 -9.066 3.009 358 HH12 ARG 45 2HH1 ARG 45 22.122 -9.687 3.024 359 HH21 ARG 45 1HH2 ARG 45 22.066 -10.643 6.367 360 HH22 ARG 45 2HH2 ARG 45 22.992 -10.570 4.899 361 H ASN 46 H ASN 46 16.448 -4.990 8.256 362 HA ASN 46 HA ASN 46 18.424 -4.002 10.152 363 HB2 ASN 46 1HB ASN 46 17.437 -2.820 8.083 364 HB3 ASN 46 2HB ASN 46 15.995 -2.538 9.055 365 HD21 ASN 46 2HD2 ASN 46 16.504 -0.212 8.611 366 HD22 ASN 46 1HD2 ASN 46 17.760 0.574 9.547 367 H GLY 47 H GLY 47 15.671 -5.777 10.751 368 HA2 GLY 47 1HA GLY 47 14.852 -6.403 12.813 369 HA3 GLY 47 2HA GLY 47 15.614 -4.991 13.577 370 H SER 48 H SER 48 13.850 -3.768 11.034 371 HA SER 48 HA SER 48 11.479 -3.085 12.677 372 HB2 SER 48 1HB SER 48 11.030 -1.559 10.755 373 HB3 SER 48 2HB SER 48 12.566 -1.264 11.571 374 HG SER 48 HG SER 48 13.022 -1.251 9.399 375 H LYS 49 H LYS 49 9.327 -3.171 11.561 376 HA LYS 49 HA LYS 49 9.049 -5.526 9.741 377 HB2 LYS 49 1HB LYS 49 8.480 -5.853 12.318 378 HB3 LYS 49 2HB LYS 49 7.000 -5.019 11.872 379 HG2 LYS 49 1HG LYS 49 6.631 -6.807 10.104 380 HG3 LYS 49 2HG LYS 49 8.043 -7.642 10.784 381 HD2 LYS 49 1HD LYS 49 6.804 -7.481 13.070 382 HD3 LYS 49 2HD LYS 49 5.399 -6.981 12.130 383 HE2 LYS 49 1HE LYS 49 5.083 -9.284 12.444 384 HE3 LYS 49 2HE LYS 49 5.675 -9.156 10.786 385 HZ1 LYS 49 3HZ LYS 49 6.796 -10.921 12.011 386 HZ2 LYS 49 1HZ LYS 49 7.889 -9.778 11.601 387 HZ3 LYS 49 2HZ LYS 49 7.335 -9.873 13.141 388 H ASP 50 H ASP 50 7.343 -5.536 8.399 389 HA ASP 50 HA ASP 50 6.211 -2.901 7.611 390 HB2 ASP 50 1HB ASP 50 6.500 -5.527 6.097 391 HB3 ASP 50 2HB ASP 50 5.879 -4.022 5.450 392 H TYR 51 H TYR 51 4.008 -2.639 7.391 393 HA TYR 51 HA TYR 51 2.153 -4.872 8.143 394 HB2 TYR 51 1HB TYR 51 2.263 -2.021 9.204 395 HB3 TYR 51 2HB TYR 51 1.011 -3.188 9.583 396 HD1 TYR 51 2HD TYR 51 4.593 -2.327 10.053 397 HD2 TYR 51 1HD TYR 51 1.318 -4.823 11.315 398 HE1 TYR 51 2HE TYR 51 5.875 -2.990 12.062 399 HE2 TYR 51 1HE TYR 51 2.594 -5.489 13.340 400 HH TYR 51 HH TYR 51 4.548 -5.234 14.538 401 H GLY 52 H GLY 52 0.022 -4.752 7.433 402 HA2 GLY 52 1HA GLY 52 -1.884 -3.924 6.400 403 HA3 GLY 52 2HA GLY 52 -1.085 -2.352 6.247 404 H LEU 53 H LEU 53 -2.540 -2.647 4.246 405 HA LEU 53 HA LEU 53 -1.826 -4.551 2.327 406 HB2 LEU 53 1HB LEU 53 -3.929 -2.789 2.653 407 HB3 LEU 53 2HB LEU 53 -3.037 -1.927 1.407 408 HG LEU 53 HG LEU 53 -2.994 -4.261 0.175 409 HD11 LEU 53 1HD1 LEU 53 -3.803 -5.623 1.986 410 HD12 LEU 53 2HD1 LEU 53 -5.264 -4.618 2.157 411 HD13 LEU 53 3HD1 LEU 53 -5.046 -5.596 0.716 412 HD21 LEU 53 3HD2 LEU 53 -5.140 -3.888 -0.852 413 HD22 LEU 53 1HD2 LEU 53 -5.580 -2.731 0.433 414 HD23 LEU 53 2HD2 LEU 53 -4.246 -2.356 -0.684 415 H PHE 54 H PHE 54 -0.302 -1.489 2.802 416 HA PHE 54 HA PHE 54 1.218 -1.778 0.247 417 HB2 PHE 54 1HB PHE 54 0.936 0.591 2.121 418 HB3 PHE 54 2HB PHE 54 1.844 0.577 0.622 419 HD1 PHE 54 2HD PHE 54 -1.573 0.410 2.065 420 HD2 PHE 54 1HD PHE 54 0.758 0.841 -1.529 421 HE1 PHE 54 2HE PHE 54 -3.601 1.112 0.853 422 HE2 PHE 54 1HE PHE 54 -1.280 1.572 -2.743 423 HZ PHE 54 HZ PHE 54 -3.461 1.708 -1.566 424 H GLN 55 H GLN 55 1.548 -3.079 3.167 425 HA GLN 55 HA GLN 55 3.216 -3.695 4.553 426 HB2 GLN 55 1HB GLN 55 4.663 -3.713 1.871 427 HB3 GLN 55 2HB GLN 55 5.350 -4.410 3.331 428 HG2 GLN 55 1HG GLN 55 2.767 -5.295 1.998 429 HG3 GLN 55 2HG GLN 55 4.331 -6.116 1.972 430 HE21 GLN 55 2HE2 GLN 55 1.399 -5.570 3.893 431 HE22 GLN 55 1HE2 GLN 55 1.903 -6.569 5.227 432 H ILE 56 H ILE 56 2.868 -1.382 5.310 433 HA ILE 56 HA ILE 56 5.043 0.525 4.791 434 HB ILE 56 HB ILE 56 2.646 0.800 6.650 435 HG12 ILE 56 1HG1 ILE 56 2.943 1.404 3.665 436 HG13 ILE 56 2HG1 ILE 56 1.780 0.289 4.407 437 HG21 ILE 56 1HG2 ILE 56 4.509 2.396 6.965 438 HG22 ILE 56 2HG2 ILE 56 4.339 2.908 5.267 439 HG23 ILE 56 3HG2 ILE 56 3.029 3.174 6.448 440 HD11 ILE 56 3HD1 ILE 56 0.528 2.180 3.789 441 HD12 ILE 56 1HD1 ILE 56 0.763 2.359 5.546 442 HD13 ILE 56 2HD1 ILE 56 1.761 3.291 4.396 443 H ASN 57 H ASN 57 6.653 1.081 6.199 444 HA ASN 57 HA ASN 57 7.202 -0.923 8.251 445 HB2 ASN 57 1HB ASN 57 8.752 -0.351 6.400 446 HB3 ASN 57 2HB ASN 57 8.932 1.265 7.104 447 HD21 ASN 57 2HD2 ASN 57 9.718 -2.144 7.433 448 HD22 ASN 57 1HD2 ASN 57 10.957 -1.910 8.674 449 H ASP 58 H ASP 58 7.503 -0.644 10.344 450 HA ASP 58 HA ASP 58 6.314 1.516 11.714 451 HB2 ASP 58 1HB ASP 58 6.711 0.382 13.663 452 HB3 ASP 58 2HB ASP 58 6.518 -0.887 12.463 453 H ARG 59 H ARG 59 9.504 1.435 10.555 454 HA ARG 59 HA ARG 59 10.500 3.397 12.558 455 HB2 ARG 59 1HB ARG 59 11.724 1.263 11.929 456 HB3 ARG 59 2HB ARG 59 12.040 1.988 10.351 457 HG2 ARG 59 1HG ARG 59 13.315 3.797 11.374 458 HG3 ARG 59 2HG ARG 59 12.865 3.263 13.003 459 HD2 ARG 59 1HD ARG 59 14.469 1.610 11.009 460 HD3 ARG 59 2HD ARG 59 15.183 2.604 12.293 461 HE ARG 59 HE ARG 59 13.417 1.006 13.665 462 HH11 ARG 59 1HH1 ARG 59 16.152 0.282 11.541 463 HH12 ARG 59 2HH1 ARG 59 16.418 -1.276 12.281 464 HH21 ARG 59 1HH2 ARG 59 13.864 -1.010 14.589 465 HH22 ARG 59 2HH2 ARG 59 15.192 -1.957 13.979 466 H TYR 60 H TYR 60 9.161 3.313 9.379 467 HA TYR 60 HA TYR 60 10.541 5.858 8.587 468 HB2 TYR 60 1HB TYR 60 9.289 3.684 6.899 469 HB3 TYR 60 2HB TYR 60 10.141 5.081 6.289 470 HD1 TYR 60 2HD TYR 60 12.510 4.852 8.460 471 HD2 TYR 60 1HD TYR 60 10.632 2.074 5.742 472 HE1 TYR 60 2HE TYR 60 14.513 3.401 8.557 473 HE2 TYR 60 1HE TYR 60 12.638 0.620 5.842 474 HH TYR 60 HH TYR 60 14.728 0.314 6.731 475 H TRP 61 H TRP 61 7.288 4.464 8.905 476 HA TRP 61 HA TRP 61 6.119 7.056 7.973 477 HB2 TRP 61 1HB TRP 61 5.377 4.365 6.838 478 HB3 TRP 61 2HB TRP 61 4.725 5.899 6.353 479 HD1 TRP 61 HD TRP 61 7.052 3.399 5.267 480 HE1 TRP 61 1HE TRP 61 8.612 4.242 3.417 481 HE3 TRP 61 3HE TRP 61 6.237 8.435 5.751 482 HZ2 TRP 61 2HZ TRP 61 9.356 6.769 2.242 483 HZ3 TRP 61 3HZ TRP 61 7.338 10.033 4.211 484 HH2 TRP 61 HH TRP 61 8.900 9.217 2.455 485 H CYS 62 H CYS 62 5.192 3.767 9.168 486 HA CYS 62 HA CYS 62 3.075 5.011 10.873 487 HB2 CYS 62 1HB CYS 62 2.368 2.624 11.211 488 HB3 CYS 62 2HB CYS 62 2.149 3.275 9.607 489 H SER 63 H SER 63 2.848 4.017 13.066 490 HA SER 63 HA SER 63 5.490 3.730 14.456 491 HB2 SER 63 1HB SER 63 4.073 5.788 14.933 492 HB3 SER 63 2HB SER 63 2.845 4.708 15.598 493 HG SER 63 HG SER 63 4.272 5.480 17.235 494 H LYS 64 H LYS 64 5.850 2.006 15.762 495 HA LYS 64 HA LYS 64 4.048 -0.274 15.712 496 HB2 LYS 64 1HB LYS 64 5.846 -1.359 17.053 497 HB3 LYS 64 2HB LYS 64 6.398 -0.711 15.527 498 HG2 LYS 64 1HG LYS 64 7.522 1.123 16.551 499 HG3 LYS 64 2HG LYS 64 6.649 0.930 18.081 500 HD2 LYS 64 1HD LYS 64 7.782 -1.139 18.574 501 HD3 LYS 64 2HD LYS 64 8.602 -1.126 16.987 502 HE2 LYS 64 1HE LYS 64 9.697 1.016 17.577 503 HE3 LYS 64 2HE LYS 64 8.879 1.015 19.145 504 HZ1 LYS 64 3HZ LYS 64 11.143 0.155 19.326 505 HZ2 LYS 64 1HZ LYS 64 10.083 -1.030 19.697 506 HZ3 LYS 64 2HZ LYS 64 10.837 -1.032 18.245 507 H GLY 65 H GLY 65 4.213 2.344 17.895 508 HA2 GLY 65 1HA GLY 65 3.847 0.884 20.386 509 HA3 GLY 65 2HA GLY 65 3.726 2.631 20.147 510 H ALA 66 H ALA 66 1.969 2.219 21.801 511 HA ALA 66 HA ALA 66 -0.524 0.992 20.887 512 HB1 ALA 66 1HB ALA 66 0.242 0.886 23.239 513 HB2 ALA 66 2HB ALA 66 0.102 2.659 23.363 514 HB3 ALA 66 3HB ALA 66 -1.345 1.665 23.095 515 H SER 67 H SER 67 0.827 4.004 20.254 516 HA SER 67 HA SER 67 -1.779 5.203 19.457 517 HB2 SER 67 1HB SER 67 0.431 6.575 21.037 518 HB3 SER 67 2HB SER 67 -0.930 7.410 20.275 519 HG SER 67 HG SER 67 -1.306 6.952 22.514 520 HA PRO 68 HA PRO 68 0.615 6.183 15.758 521 HB2 PRO 68 1HB PRO 68 -0.760 8.319 14.739 522 HB3 PRO 68 2HB PRO 68 -1.424 6.655 14.734 523 HG2 PRO 68 1HG PRO 68 -1.964 8.863 16.741 524 HG3 PRO 68 2HG PRO 68 -3.154 7.831 15.882 525 HD2 PRO 68 1HD PRO 68 -2.318 7.257 18.403 526 HD3 PRO 68 2HD PRO 68 -2.630 5.955 17.216 527 H GLY 69 H GLY 69 2.125 7.819 14.971 528 HA2 GLY 69 1HA GLY 69 2.745 10.316 15.943 529 HA3 GLY 69 2HA GLY 69 3.347 9.270 17.223 530 H LYS 70 H LYS 70 3.352 9.298 13.671 531 HA LYS 70 HA LYS 70 6.280 9.319 13.455 532 HB2 LYS 70 1HB LYS 70 4.583 6.902 12.972 533 HB3 LYS 70 2HB LYS 70 5.698 7.257 11.676 534 HG2 LYS 70 1HG LYS 70 6.678 7.167 14.550 535 HG3 LYS 70 2HG LYS 70 6.510 5.708 13.591 536 HD2 LYS 70 1HD LYS 70 8.019 6.558 11.877 537 HD3 LYS 70 2HD LYS 70 8.160 8.112 12.731 538 HE2 LYS 70 1HE LYS 70 9.067 6.863 14.726 539 HE3 LYS 70 2HE LYS 70 9.068 5.384 13.755 540 HZ1 LYS 70 3HZ LYS 70 11.238 6.521 13.759 541 HZ2 LYS 70 1HZ LYS 70 10.643 6.448 12.239 542 HZ3 LYS 70 2HZ LYS 70 10.584 7.854 13.079 543 H ASP 71 H ASP 71 6.684 9.078 10.841 544 HA ASP 71 HA ASP 71 6.146 11.597 9.922 545 HB2 ASP 71 1HB ASP 71 6.800 9.130 8.277 546 HB3 ASP 71 2HB ASP 71 7.033 10.795 7.760 547 H CYS 72 H CYS 72 3.997 8.845 9.391 548 HA CYS 72 HA CYS 72 2.175 10.604 7.775 549 HB2 CYS 72 1HB CYS 72 2.426 7.595 7.841 550 HB3 CYS 72 2HB CYS 72 1.207 8.496 6.945 551 H ASN 73 H ASN 73 2.487 10.059 10.895 552 HA ASN 73 HA ASN 73 1.145 10.099 12.690 553 HB2 ASN 73 1HB ASN 73 0.696 12.246 11.483 554 HB3 ASN 73 2HB ASN 73 -0.750 11.519 10.782 555 HD21 ASN 73 2HD2 ASN 73 -2.122 13.100 11.825 556 HD22 ASN 73 1HD2 ASN 73 -2.407 13.036 13.555 557 H VAL 74 H VAL 74 1.064 7.639 11.812 558 HA VAL 74 HA VAL 74 -1.637 6.616 12.356 559 HB VAL 74 HB VAL 74 -1.533 7.094 9.911 560 HG11 VAL 74 1HG1 VAL 74 0.887 6.624 9.529 561 HG12 VAL 74 2HG1 VAL 74 0.569 4.894 9.774 562 HG13 VAL 74 3HG1 VAL 74 -0.172 5.747 8.411 563 HG21 VAL 74 3HG2 VAL 74 -2.468 4.996 9.183 564 HG22 VAL 74 1HG2 VAL 74 -1.743 4.136 10.552 565 HG23 VAL 74 2HG2 VAL 74 -3.015 5.348 10.828 566 H LYS 75 H LYS 75 -1.686 4.462 12.957 567 HA LYS 75 HA LYS 75 0.847 3.481 14.162 568 HB2 LYS 75 1HB LYS 75 -1.218 4.223 15.423 569 HB3 LYS 75 2HB LYS 75 -2.045 2.791 14.787 570 HG2 LYS 75 1HG LYS 75 -0.349 1.356 15.962 571 HG3 LYS 75 2HG LYS 75 0.453 2.837 16.529 572 HD2 LYS 75 1HD LYS 75 -0.928 2.159 18.321 573 HD3 LYS 75 2HD LYS 75 -1.768 3.517 17.582 574 HE2 LYS 75 1HE LYS 75 -3.151 1.706 16.321 575 HE3 LYS 75 2HE LYS 75 -2.400 0.553 17.447 576 HZ1 LYS 75 3HZ LYS 75 -4.486 1.269 18.347 577 HZ2 LYS 75 1HZ LYS 75 -3.321 1.959 19.277 578 HZ3 LYS 75 2HZ LYS 75 -4.131 2.848 18.167 579 H CYS 76 H CYS 76 1.707 1.508 13.644 580 HA CYS 76 HA CYS 76 1.217 0.081 11.317 581 HB2 CYS 76 1HB CYS 76 2.262 -0.980 13.978 582 HB3 CYS 76 2HB CYS 76 2.487 -1.746 12.410 583 H SER 77 H SER 77 -0.317 -0.562 14.497 584 HA SER 77 HA SER 77 -1.614 -3.019 13.617 585 HB2 SER 77 1HB SER 77 -0.935 -2.421 15.977 586 HB3 SER 77 2HB SER 77 -2.313 -1.305 16.018 587 HG SER 77 HG SER 77 -2.806 -3.410 16.878 588 H ASP 78 H ASP 78 -2.528 0.396 13.455 589 HA ASP 78 HA ASP 78 -5.359 -0.072 12.946 590 HB2 ASP 78 1HB ASP 78 -3.535 2.245 13.127 591 HB3 ASP 78 2HB ASP 78 -4.663 2.383 11.800 592 H LEU 79 H LEU 79 -2.444 -0.280 11.047 593 HA LEU 79 HA LEU 79 -3.750 -0.116 8.448 594 HB2 LEU 79 1HB LEU 79 -1.109 -1.489 9.030 595 HB3 LEU 79 2HB LEU 79 -1.677 -0.763 7.532 596 HG LEU 79 HG LEU 79 -0.731 0.689 10.021 597 HD11 LEU 79 1HD1 LEU 79 1.026 -0.219 8.579 598 HD12 LEU 79 2HD1 LEU 79 0.286 0.542 7.156 599 HD13 LEU 79 3HD1 LEU 79 0.982 1.546 8.443 600 HD21 LEU 79 3HD2 LEU 79 -1.050 2.787 8.678 601 HD22 LEU 79 1HD2 LEU 79 -1.956 1.833 7.492 602 HD23 LEU 79 2HD2 LEU 79 -2.575 2.020 9.146 603 H LEU 80 H LEU 80 -3.700 -2.530 10.859 604 HA LEU 80 HA LEU 80 -4.110 -4.785 8.991 605 HB2 LEU 80 1HB LEU 80 -4.045 -4.815 12.018 606 HB3 LEU 80 2HB LEU 80 -3.937 -6.197 10.937 607 HG LEU 80 HG LEU 80 -1.842 -4.016 11.238 608 HD11 LEU 80 1HD1 LEU 80 -2.040 -5.511 13.201 609 HD12 LEU 80 2HD1 LEU 80 -1.849 -6.927 12.144 610 HD13 LEU 80 3HD1 LEU 80 -0.514 -5.776 12.347 611 HD21 LEU 80 3HD2 LEU 80 -0.377 -5.521 9.889 612 HD22 LEU 80 1HD2 LEU 80 -1.781 -6.554 9.558 613 HD23 LEU 80 2HD2 LEU 80 -1.735 -4.872 8.970 614 H THR 81 H THR 81 -6.093 -2.427 10.078 615 HA THR 81 HA THR 81 -8.396 -4.031 10.939 616 HB THR 81 HB THR 81 -9.613 -1.941 11.098 617 HG1 THR 81 1HG THR 81 -7.223 -0.696 10.195 618 HG21 THR 81 3HG2 THR 81 -8.295 -0.857 12.854 619 HG22 THR 81 1HG2 THR 81 -8.220 -2.620 13.002 620 HG23 THR 81 2HG2 THR 81 -6.837 -1.731 12.337 621 H ASP 82 H ASP 82 -10.562 -3.482 9.889 622 HA ASP 82 HA ASP 82 -10.374 -4.805 7.331 623 HB2 ASP 82 1HB ASP 82 -12.822 -3.914 8.887 624 HB3 ASP 82 2HB ASP 82 -12.793 -5.077 7.559 625 H ASP 83 H ASP 83 -9.985 -1.660 7.722 626 HA ASP 83 HA ASP 83 -11.017 -1.078 5.000 627 HB2 ASP 83 1HB ASP 83 -12.460 0.110 6.670 628 HB3 ASP 83 2HB ASP 83 -11.036 0.997 7.217 629 H ILE 84 H ILE 84 -9.429 -0.646 3.729 630 HA ILE 84 HA ILE 84 -6.688 -0.634 4.554 631 HB ILE 84 HB ILE 84 -6.163 -0.530 2.225 632 HG12 ILE 84 1HG1 ILE 84 -9.027 0.372 1.676 633 HG13 ILE 84 2HG1 ILE 84 -7.595 1.401 1.654 634 HG21 ILE 84 1HG2 ILE 84 -7.249 -2.634 3.014 635 HG22 ILE 84 2HG2 ILE 84 -8.817 -2.034 2.443 636 HG23 ILE 84 3HG2 ILE 84 -7.527 -2.360 1.297 637 HD11 ILE 84 3HD1 ILE 84 -8.188 0.880 -0.586 638 HD12 ILE 84 1HD1 ILE 84 -6.626 0.116 -0.183 639 HD13 ILE 84 2HD1 ILE 84 -8.119 -0.862 -0.276 640 H THR 85 H THR 85 -8.878 1.977 4.451 641 HA THR 85 HA THR 85 -7.482 4.059 3.285 642 HB THR 85 HB THR 85 -9.827 4.074 3.918 643 HG1 THR 85 1HG THR 85 -9.849 6.254 4.306 644 HG21 THR 85 3HG2 THR 85 -10.568 4.779 6.101 645 HG22 THR 85 1HG2 THR 85 -9.620 3.297 6.282 646 HG23 THR 85 2HG2 THR 85 -8.897 4.871 6.702 647 H LYS 86 H LYS 86 -6.924 2.896 6.583 648 HA LYS 86 HA LYS 86 -5.288 5.112 7.430 649 HB2 LYS 86 1HB LYS 86 -5.167 2.187 8.323 650 HB3 LYS 86 2HB LYS 86 -4.406 3.556 9.114 651 HG2 LYS 86 1HG LYS 86 -6.237 3.290 10.437 652 HG3 LYS 86 2HG LYS 86 -6.809 4.547 9.343 653 HD2 LYS 86 1HD LYS 86 -8.062 2.875 8.055 654 HD3 LYS 86 2HD LYS 86 -7.363 1.559 8.994 655 HE2 LYS 86 1HE LYS 86 -9.026 3.783 10.260 656 HE3 LYS 86 2HE LYS 86 -9.773 2.362 9.518 657 HZ1 LYS 86 3HZ LYS 86 -9.467 1.999 11.865 658 HZ2 LYS 86 1HZ LYS 86 -8.517 0.960 11.027 659 HZ3 LYS 86 2HZ LYS 86 -7.857 2.261 11.790 660 H ALA 87 H ALA 87 -4.584 2.228 5.520 661 HA ALA 87 HA ALA 87 -1.677 2.786 5.409 662 HB1 ALA 87 1HB ALA 87 -2.680 0.442 5.594 663 HB2 ALA 87 2HB ALA 87 -3.308 0.655 3.945 664 HB3 ALA 87 3HB ALA 87 -1.553 0.684 4.256 665 H ALA 88 H ALA 88 -4.557 2.900 3.287 666 HA ALA 88 HA ALA 88 -3.201 3.622 0.916 667 HB1 ALA 88 1HB ALA 88 -5.554 2.724 1.158 668 HB2 ALA 88 2HB ALA 88 -6.057 4.356 1.678 669 HB3 ALA 88 3HB ALA 88 -5.383 4.096 0.063 670 H LYS 89 H LYS 89 -4.673 5.836 3.381 671 HA LYS 89 HA LYS 89 -3.960 8.254 1.980 672 HB2 LYS 89 1HB LYS 89 -4.503 7.595 4.895 673 HB3 LYS 89 2HB LYS 89 -4.188 9.241 4.323 674 HG2 LYS 89 1HG LYS 89 -6.114 9.172 2.829 675 HG3 LYS 89 2HG LYS 89 -6.454 7.488 3.263 676 HD2 LYS 89 1HD LYS 89 -6.862 8.120 5.592 677 HD3 LYS 89 2HD LYS 89 -6.475 9.811 5.252 678 HE2 LYS 89 1HE LYS 89 -8.733 8.255 3.909 679 HE3 LYS 89 2HE LYS 89 -8.949 9.223 5.370 680 HZ1 LYS 89 3HZ LYS 89 -9.541 10.491 3.412 681 HZ2 LYS 89 1HZ LYS 89 -8.236 11.178 4.110 682 HZ3 LYS 89 2HZ LYS 89 -8.064 10.288 2.746 683 H CYS 90 H CYS 90 -2.131 6.232 4.241 684 HA CYS 90 HA CYS 90 0.184 8.001 4.438 685 HB2 CYS 90 1HB CYS 90 -0.265 6.389 6.149 686 HB3 CYS 90 2HB CYS 90 -0.281 5.051 4.996 687 H ALA 91 H ALA 91 -0.675 5.237 2.303 688 HA ALA 91 HA ALA 91 1.661 5.264 0.709 689 HB1 ALA 91 1HB ALA 91 -0.074 3.486 0.761 690 HB2 ALA 91 2HB ALA 91 -1.186 4.559 -0.100 691 HB3 ALA 91 3HB ALA 91 0.306 4.026 -0.890 692 H LYS 92 H LYS 92 -1.377 7.281 0.249 693 HA LYS 92 HA LYS 92 -0.356 8.681 -2.009 694 HB2 LYS 92 1HB LYS 92 -2.081 9.897 0.177 695 HB3 LYS 92 2HB LYS 92 -1.908 10.443 -1.482 696 HG2 LYS 92 1HG LYS 92 -3.368 8.003 -0.467 697 HG3 LYS 92 2HG LYS 92 -4.025 9.407 -1.220 698 HD2 LYS 92 1HD LYS 92 -2.428 7.178 -2.510 699 HD3 LYS 92 2HD LYS 92 -4.113 7.580 -2.767 700 HE2 LYS 92 1HE LYS 92 -1.738 9.301 -3.628 701 HE3 LYS 92 2HE LYS 92 -2.669 8.235 -4.679 702 HZ1 LYS 92 3HZ LYS 92 -3.407 10.541 -4.849 703 HZ2 LYS 92 1HZ LYS 92 -4.625 9.614 -4.289 704 HZ3 LYS 92 2HZ LYS 92 -3.800 10.592 -3.265 705 H LYS 93 H LYS 93 0.136 9.394 1.486 706 HA LYS 93 HA LYS 93 1.660 11.777 1.003 707 HB2 LYS 93 1HB LYS 93 0.495 11.115 3.158 708 HB3 LYS 93 2HB LYS 93 1.853 10.019 3.477 709 HG2 LYS 93 1HG LYS 93 3.423 11.957 3.365 710 HG3 LYS 93 2HG LYS 93 2.067 13.031 2.982 711 HD2 LYS 93 1HD LYS 93 1.073 12.501 5.222 712 HD3 LYS 93 2HD LYS 93 2.503 11.498 5.575 713 HE2 LYS 93 1HE LYS 93 3.962 13.502 5.147 714 HE3 LYS 93 2HE LYS 93 2.508 14.482 4.913 715 HZ1 LYS 93 3HZ LYS 93 3.328 14.710 7.159 716 HZ2 LYS 93 1HZ LYS 93 1.891 13.935 7.229 717 HZ3 LYS 93 2HZ LYS 93 3.299 13.099 7.419 718 H ILE 94 H ILE 94 2.669 8.396 1.031 719 HA ILE 94 HA ILE 94 5.530 9.018 0.738 720 HB ILE 94 HB ILE 94 3.937 6.506 0.077 721 HG12 ILE 94 1HG1 ILE 94 5.838 6.988 2.403 722 HG13 ILE 94 2HG1 ILE 94 4.120 7.269 2.559 723 HG21 ILE 94 1HG2 ILE 94 5.964 6.583 -1.276 724 HG22 ILE 94 2HG2 ILE 94 6.932 7.080 0.123 725 HG23 ILE 94 3HG2 ILE 94 6.235 5.442 0.038 726 HD11 ILE 94 3HD1 ILE 94 4.596 5.088 3.440 727 HD12 ILE 94 1HD1 ILE 94 3.660 4.890 1.952 728 HD13 ILE 94 2HD1 ILE 94 5.414 4.585 1.953 729 H TYR 95 H TYR 95 2.894 8.257 -1.573 730 HA TYR 95 HA TYR 95 4.393 8.353 -3.925 731 HB2 TYR 95 1HB TYR 95 2.380 7.413 -4.223 732 HB3 TYR 95 2HB TYR 95 1.535 8.524 -3.165 733 HD1 TYR 95 2HD TYR 95 0.986 10.884 -3.984 734 HD2 TYR 95 1HD TYR 95 2.113 7.629 -6.577 735 HE1 TYR 95 2HE TYR 95 -0.030 12.075 -5.915 736 HE2 TYR 95 1HE TYR 95 1.133 8.833 -8.517 737 HH TYR 95 HH TYR 95 -0.458 12.033 -8.179 738 H LYS 96 H LYS 96 3.310 11.074 -2.046 739 HA LYS 96 HA LYS 96 3.736 13.241 -3.845 740 HB2 LYS 96 1HB LYS 96 4.059 12.829 -0.855 741 HB3 LYS 96 2HB LYS 96 4.373 14.400 -1.596 742 HG2 LYS 96 1HG LYS 96 2.080 14.456 -2.533 743 HG3 LYS 96 2HG LYS 96 1.716 12.919 -1.735 744 HD2 LYS 96 1HD LYS 96 2.261 13.980 0.474 745 HD3 LYS 96 2HD LYS 96 2.499 15.525 -0.340 746 HE2 LYS 96 1HE LYS 96 -0.101 13.912 -0.384 747 HE3 LYS 96 2HE LYS 96 0.240 15.218 0.754 748 HZ1 LYS 96 3HZ LYS 96 -1.030 16.035 -1.119 749 HZ2 LYS 96 1HZ LYS 96 0.442 16.739 -1.134 750 HZ3 LYS 96 2HZ LYS 96 0.094 15.539 -2.193 751 H ARG 97 H ARG 97 6.135 11.101 -2.496 752 HA ARG 97 HA ARG 97 8.316 12.799 -3.664 753 HB2 ARG 97 1HB ARG 97 8.412 11.140 -1.110 754 HB3 ARG 97 2HB ARG 97 9.799 11.927 -1.857 755 HG2 ARG 97 1HG ARG 97 7.337 13.352 -0.742 756 HG3 ARG 97 2HG ARG 97 8.891 13.184 0.071 757 HD2 ARG 97 1HD ARG 97 10.010 14.494 -1.665 758 HD3 ARG 97 2HD ARG 97 8.520 14.631 -2.592 759 HE ARG 97 HE ARG 97 9.139 15.922 0.010 760 HH11 ARG 97 1HH1 ARG 97 6.782 15.625 -2.641 761 HH12 ARG 97 2HH1 ARG 97 5.977 17.098 -2.183 762 HH21 ARG 97 1HH2 ARG 97 8.024 17.784 0.534 763 HH22 ARG 97 2HH2 ARG 97 6.644 18.276 -0.399 764 H HIS 98 H HIS 98 7.114 9.540 -3.039 765 HA HIS 98 HA HIS 98 8.798 8.482 -5.276 766 HB2 HIS 98 1HB HIS 98 8.420 7.258 -2.517 767 HB3 HIS 98 2HB HIS 98 9.226 6.477 -3.880 768 HD2 HIS 98 2HD HIS 98 9.864 8.792 -0.995 769 HE1 HIS 98 1HE HIS 98 13.409 8.945 -3.347 770 HE2 HIS 98 2HE HIS 98 12.371 9.586 -1.110 771 H ARG 99 H ARG 99 6.887 8.640 -6.575 772 HA ARG 99 HA ARG 99 4.331 7.913 -5.983 773 HB2 ARG 99 1HB ARG 99 3.841 7.745 -8.268 774 HB3 ARG 99 2HB ARG 99 4.770 9.173 -7.813 775 HG2 ARG 99 1HG ARG 99 6.828 8.157 -8.778 776 HG3 ARG 99 2HG ARG 99 5.889 6.698 -9.219 777 HD2 ARG 99 1HD ARG 99 4.299 8.118 -10.441 778 HD3 ARG 99 2HD ARG 99 5.263 9.546 -10.040 779 HE ARG 99 HE ARG 99 7.013 7.725 -11.302 780 HH11 ARG 99 1HH1 ARG 99 4.163 9.574 -12.292 781 HH12 ARG 99 2HH1 ARG 99 4.655 9.612 -13.958 782 HH21 ARG 99 1HH2 ARG 99 7.589 7.813 -13.467 783 HH22 ARG 99 2HH2 ARG 99 6.569 8.632 -14.610 784 H PHE 100 H PHE 100 6.765 5.667 -7.243 785 HA PHE 100 HA PHE 100 5.208 3.374 -6.160 786 HB2 PHE 100 1HB PHE 100 6.460 3.375 -8.919 787 HB3 PHE 100 2HB PHE 100 5.583 2.068 -8.127 788 HD1 PHE 100 1HD PHE 100 3.108 2.630 -7.364 789 HD2 PHE 100 2HD PHE 100 5.268 4.686 -10.479 790 HE1 PHE 100 1HE PHE 100 0.974 3.406 -8.327 791 HE2 PHE 100 2HE PHE 100 3.119 5.486 -11.433 792 HZ PHE 100 HZ PHE 100 0.969 4.843 -10.357 793 H ASP 101 H ASP 101 8.293 4.895 -6.717 794 HA ASP 101 HA ASP 101 9.975 2.616 -6.704 795 HB2 ASP 101 1HB ASP 101 10.496 4.868 -7.625 796 HB3 ASP 101 2HB ASP 101 10.592 5.506 -5.983 797 H ALA 102 H ALA 102 8.367 4.078 -4.040 798 HA ALA 102 HA ALA 102 10.215 3.286 -1.935 799 HB1 ALA 102 1HB ALA 102 8.636 5.127 -1.625 800 HB2 ALA 102 2HB ALA 102 7.258 4.032 -1.891 801 HB3 ALA 102 3HB ALA 102 8.294 3.839 -0.464 802 H TRP 103 H TRP 103 8.267 1.423 -3.975 803 HA TRP 103 HA TRP 103 8.185 -0.864 -2.042 804 HB2 TRP 103 1HB TRP 103 6.204 -0.093 -4.220 805 HB3 TRP 103 2HB TRP 103 6.129 -1.560 -3.255 806 HD1 TRP 103 HD TRP 103 5.508 -1.317 -0.669 807 HE1 TRP 103 1HE TRP 103 4.093 0.372 0.584 808 HE3 TRP 103 3HE TRP 103 5.643 2.503 -4.070 809 HZ2 TRP 103 2HZ TRP 103 3.044 3.055 0.139 810 HZ3 TRP 103 3HZ TRP 103 4.422 4.614 -3.637 811 HH2 TRP 103 HH TRP 103 3.086 4.889 -1.559 812 H TYR 104 H TYR 104 9.146 -2.641 -2.596 813 HA TYR 104 HA TYR 104 10.871 -2.572 -4.878 814 HB2 TYR 104 1HB TYR 104 11.334 -3.552 -2.582 815 HB3 TYR 104 2HB TYR 104 10.341 -4.934 -3.045 816 HD1 TYR 104 2HD TYR 104 13.273 -2.873 -4.052 817 HD2 TYR 104 1HD TYR 104 11.317 -6.692 -4.374 818 HE1 TYR 104 2HE TYR 104 15.263 -3.785 -5.275 819 HE2 TYR 104 1HE TYR 104 13.288 -7.615 -5.592 820 HH TYR 104 HH TYR 104 15.384 -7.182 -6.439 821 H GLY 105 H GLY 105 7.822 -4.326 -4.275 822 HA2 GLY 105 1HA GLY 105 7.945 -6.228 -6.353 823 HA3 GLY 105 2HA GLY 105 6.458 -5.511 -5.687 824 H TRP 106 H TRP 106 6.871 -2.815 -6.526 825 HA TRP 106 HA TRP 106 5.859 -3.001 -9.179 826 HB2 TRP 106 1HB TRP 106 5.160 -1.248 -7.752 827 HB3 TRP 106 2HB TRP 106 6.806 -0.648 -7.550 828 HD1 TRP 106 HD TRP 106 3.910 -0.657 -10.040 829 HE1 TRP 106 1HE TRP 106 4.397 1.022 -11.934 830 HE3 TRP 106 3HE TRP 106 8.701 0.574 -8.787 831 HZ2 TRP 106 2HZ TRP 106 6.612 2.707 -12.774 832 HZ3 TRP 106 3HZ TRP 106 10.010 2.148 -10.152 833 HH2 TRP 106 HH TRP 106 8.974 3.246 -12.152 834 H LYS 107 H LYS 107 9.111 -2.133 -8.018 835 HA LYS 107 HA LYS 107 10.120 -1.850 -10.773 836 HB2 LYS 107 1HB LYS 107 12.266 -1.309 -9.681 837 HB3 LYS 107 2HB LYS 107 10.922 -0.249 -9.281 838 HG2 LYS 107 1HG LYS 107 10.620 -1.513 -7.124 839 HG3 LYS 107 2HG LYS 107 12.115 -2.398 -7.484 840 HD2 LYS 107 1HD LYS 107 11.757 0.605 -7.093 841 HD3 LYS 107 2HD LYS 107 12.465 -0.516 -5.927 842 HE2 LYS 107 1HE LYS 107 14.350 -0.973 -7.460 843 HE3 LYS 107 2HE LYS 107 13.621 0.073 -8.690 844 HZ1 LYS 107 3HZ LYS 107 15.293 1.286 -7.461 845 HZ2 LYS 107 1HZ LYS 107 13.818 1.935 -7.148 846 HZ3 LYS 107 2HZ LYS 107 14.553 0.988 -6.031 847 H ASN 108 H ASN 108 9.673 -4.496 -8.692 848 HA ASN 108 HA ASN 108 11.775 -6.142 -9.950 849 HB2 ASN 108 1HB ASN 108 11.367 -6.266 -7.537 850 HB3 ASN 108 2HB ASN 108 9.695 -6.756 -7.823 851 HD21 ASN 108 2HD2 ASN 108 9.309 -8.965 -7.907 852 HD22 ASN 108 1HD2 ASN 108 10.568 -10.165 -8.138 853 H HIS 109 H HIS 109 8.182 -5.921 -10.055 854 HA HIS 109 HA HIS 109 8.218 -7.889 -12.311 855 HB2 HIS 109 1HB HIS 109 7.018 -9.388 -11.244 856 HB3 HIS 109 2HB HIS 109 7.491 -8.582 -9.765 857 HD2 HIS 109 2HD HIS 109 5.563 -6.938 -8.619 858 HE1 HIS 109 1HE HIS 109 2.304 -8.533 -10.831 859 HE2 HIS 109 2HE HIS 109 2.949 -7.037 -8.869 860 H CYS 110 H CYS 110 6.435 -5.091 -10.965 861 HA CYS 110 HA CYS 110 4.424 -5.104 -13.029 862 HB2 CYS 110 1HB CYS 110 5.385 -2.730 -11.403 863 HB3 CYS 110 2HB CYS 110 3.883 -2.862 -12.283 864 H GLN 111 H GLN 111 7.719 -4.319 -13.323 865 HA GLN 111 HA GLN 111 7.527 -2.387 -15.499 866 HB2 GLN 111 1HB GLN 111 9.810 -4.291 -14.814 867 HB3 GLN 111 2HB GLN 111 9.904 -2.845 -15.814 868 HG2 GLN 111 1HG GLN 111 9.428 -2.963 -12.811 869 HG3 GLN 111 2HG GLN 111 10.877 -2.416 -13.630 870 HE21 GLN 111 2HE2 GLN 111 8.073 -1.299 -12.118 871 HE22 GLN 111 1HE2 GLN 111 8.098 0.318 -12.808 872 H GLY 112 H GLY 112 7.210 -5.886 -15.319 873 HA2 GLY 112 1HA GLY 112 7.755 -6.323 -18.190 874 HA3 GLY 112 2HA GLY 112 7.297 -7.533 -16.969 875 H SER 113 H SER 113 4.950 -6.647 -15.974 876 HA SER 113 HA SER 113 3.010 -6.203 -18.172 877 HB2 SER 113 1HB SER 113 3.160 -8.765 -16.527 878 HB3 SER 113 2HB SER 113 1.783 -8.286 -17.525 879 HG SER 113 HG SER 113 3.199 -9.748 -18.616 880 H LEU 114 H LEU 114 1.025 -5.437 -17.463 881 HA LEU 114 HA LEU 114 0.479 -5.307 -14.536 882 HB2 LEU 114 1HB LEU 114 -0.227 -3.389 -16.798 883 HB3 LEU 114 2HB LEU 114 -0.849 -3.260 -15.161 884 HG LEU 114 HG LEU 114 2.118 -3.086 -15.865 885 HD11 LEU 114 1HD1 LEU 114 0.809 -1.264 -16.871 886 HD12 LEU 114 2HD1 LEU 114 0.100 -0.887 -15.279 887 HD13 LEU 114 3HD1 LEU 114 1.845 -0.672 -15.557 888 HD21 LEU 114 3HD2 LEU 114 2.248 -2.031 -13.577 889 HD22 LEU 114 1HD2 LEU 114 0.567 -2.521 -13.295 890 HD23 LEU 114 2HD2 LEU 114 1.829 -3.750 -13.541 891 HA PRO 115 HA PRO 115 -3.292 -7.510 -15.609 892 HB2 PRO 115 1HB PRO 115 -4.883 -6.974 -13.489 893 HB3 PRO 115 2HB PRO 115 -3.391 -7.957 -13.321 894 HG2 PRO 115 1HG PRO 115 -3.749 -4.996 -12.741 895 HG3 PRO 115 2HG PRO 115 -2.997 -6.247 -11.696 896 HD2 PRO 115 1HD PRO 115 -1.529 -4.616 -13.339 897 HD3 PRO 115 2HD PRO 115 -1.058 -6.316 -13.013 898 H ASP 116 H ASP 116 -5.488 -7.118 -16.288 899 HA ASP 116 HA ASP 116 -6.078 -4.376 -17.167 900 HB2 ASP 116 1HB ASP 116 -6.502 -6.264 -18.668 901 HB3 ASP 116 2HB ASP 116 -7.609 -6.976 -17.489 902 H ILE 117 H ILE 117 -7.832 -3.229 -16.611 903 HA ILE 117 HA ILE 117 -9.339 -3.836 -14.089 904 HB ILE 117 HB ILE 117 -9.148 -1.450 -13.475 905 HG12 ILE 117 1HG1 ILE 117 -7.047 -1.221 -15.684 906 HG13 ILE 117 2HG1 ILE 117 -8.704 -0.636 -15.843 907 HG21 ILE 117 1HG2 ILE 117 -7.619 -3.164 -12.514 908 HG22 ILE 117 2HG2 ILE 117 -6.412 -2.767 -13.749 909 HG23 ILE 117 3HG2 ILE 117 -6.902 -1.550 -12.552 910 HD11 ILE 117 3HD1 ILE 117 -7.290 1.198 -15.280 911 HD12 ILE 117 1HD1 ILE 117 -8.351 0.859 -13.894 912 HD13 ILE 117 2HD1 ILE 117 -6.642 0.339 -13.870 913 H SER 118 H SER 118 -9.610 -3.244 -17.353 914 HA SER 118 HA SER 118 -11.679 -1.305 -17.516 915 HB2 SER 118 1HB SER 118 -11.197 -3.601 -19.447 916 HB3 SER 118 2HB SER 118 -11.976 -2.051 -19.787 917 HG SER 118 HG SER 118 -9.243 -2.635 -19.311 918 H SER 119 H SER 119 -11.953 -4.552 -16.396 919 HA SER 119 HA SER 119 -14.857 -4.799 -16.872 920 HB2 SER 119 1HB SER 119 -14.492 -6.941 -15.621 921 HB3 SER 119 2HB SER 119 -13.542 -6.782 -17.109 922 HG SER 119 HG SER 119 -12.282 -7.577 -15.335 923 H CYS 120 H CYS 120 -12.884 -3.269 -14.548 924 HA CYS 120 HA CYS 120 -14.606 -3.791 -12.220 925 HB2 CYS 120 1HB CYS 120 -12.143 -2.056 -12.510 926 HB3 CYS 120 2HB CYS 120 -12.889 -2.580 -11.004 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -9.318 -7.480 10.155 2 H2 GLY 1 2H GLY 1 -8.106 -8.573 10.380 3 H3 GLY 1 3H GLY 1 -7.827 -6.973 10.647 4 HA2 GLY 1 1HA GLY 1 -8.214 -6.468 8.338 5 HA3 GLY 1 2HA GLY 1 -6.843 -7.562 8.571 6 H LYS 2 H LYS 2 -7.949 -7.451 6.147 7 HA LYS 2 HA LYS 2 -9.191 -10.057 5.664 8 HB2 LYS 2 1HB LYS 2 -11.203 -9.185 4.642 9 HB3 LYS 2 2HB LYS 2 -11.108 -8.607 6.305 10 HG2 LYS 2 1HG LYS 2 -10.254 -6.406 5.498 11 HG3 LYS 2 2HG LYS 2 -10.376 -6.975 3.830 12 HD2 LYS 2 1HD LYS 2 -12.729 -6.740 5.744 13 HD3 LYS 2 2HD LYS 2 -12.256 -5.518 4.552 14 HE2 LYS 2 1HE LYS 2 -12.550 -7.177 2.721 15 HE3 LYS 2 2HE LYS 2 -13.084 -8.383 3.901 16 HZ1 LYS 2 3HZ LYS 2 -14.967 -7.275 2.859 17 HZ2 LYS 2 1HZ LYS 2 -14.949 -6.922 4.453 18 HZ3 LYS 2 2HZ LYS 2 -14.456 -5.807 3.362 19 H THR 3 H THR 3 -9.508 -10.505 3.370 20 HA THR 3 HA THR 3 -7.452 -9.188 1.669 21 HB THR 3 HB THR 3 -8.670 -11.910 1.165 22 HG1 THR 3 1HG THR 3 -6.889 -12.729 2.271 23 HG21 THR 3 3HG2 THR 3 -6.474 -12.209 -0.025 24 HG22 THR 3 1HG2 THR 3 -7.427 -10.888 -0.716 25 HG23 THR 3 2HG2 THR 3 -6.065 -10.522 0.362 26 H PHE 4 H PHE 4 -7.920 -8.293 -0.189 27 HA PHE 4 HA PHE 4 -10.761 -8.033 -1.057 28 HB2 PHE 4 1HB PHE 4 -8.277 -6.343 -1.537 29 HB3 PHE 4 2HB PHE 4 -9.805 -6.014 -2.297 30 HD1 PHE 4 1HD PHE 4 -8.167 -6.278 1.088 31 HD2 PHE 4 2HD PHE 4 -11.449 -4.660 -1.209 32 HE1 PHE 4 1HE PHE 4 -8.960 -5.043 3.077 33 HE2 PHE 4 2HE PHE 4 -12.232 -3.438 0.791 34 HZ PHE 4 HZ PHE 4 -11.008 -3.638 2.946 35 H THR 5 H THR 5 -11.227 -8.054 -3.300 36 HA THR 5 HA THR 5 -9.584 -9.817 -5.056 37 HB THR 5 HB THR 5 -11.475 -9.240 -6.710 38 HG1 THR 5 1HG THR 5 -13.427 -8.646 -5.435 39 HG21 THR 5 3HG2 THR 5 -13.031 -10.802 -5.828 40 HG22 THR 5 1HG2 THR 5 -11.380 -11.381 -5.567 41 HG23 THR 5 2HG2 THR 5 -12.302 -10.701 -4.195 42 H ARG 6 H ARG 6 -9.175 -8.919 -7.327 43 HA ARG 6 HA ARG 6 -8.044 -6.267 -7.287 44 HB2 ARG 6 1HB ARG 6 -7.511 -8.141 -8.907 45 HB3 ARG 6 2HB ARG 6 -9.019 -7.776 -9.747 46 HG2 ARG 6 1HG ARG 6 -8.246 -5.469 -10.189 47 HG3 ARG 6 2HG ARG 6 -6.773 -5.753 -9.248 48 HD2 ARG 6 1HD ARG 6 -7.556 -7.220 -11.797 49 HD3 ARG 6 2HD ARG 6 -6.400 -5.886 -11.703 50 HE ARG 6 HE ARG 6 -5.204 -7.478 -9.964 51 HH11 ARG 6 1HH1 ARG 6 -6.794 -8.685 -12.901 52 HH12 ARG 6 2HH1 ARG 6 -5.730 -10.058 -12.994 53 HH21 ARG 6 1HH2 ARG 6 -3.775 -9.079 -10.270 54 HH22 ARG 6 2HH2 ARG 6 -4.040 -10.299 -11.499 55 H CYS 7 H CYS 7 -11.275 -7.561 -8.088 56 HA CYS 7 HA CYS 7 -12.362 -5.113 -9.184 57 HB2 CYS 7 1HB CYS 7 -13.779 -7.454 -7.857 58 HB3 CYS 7 2HB CYS 7 -14.538 -6.202 -8.839 59 H GLY 8 H GLY 8 -12.379 -6.439 -5.861 60 HA2 GLY 8 1HA GLY 8 -13.825 -4.244 -4.669 61 HA3 GLY 8 2HA GLY 8 -12.811 -5.447 -3.830 62 H LEU 9 H LEU 9 -10.294 -4.977 -4.955 63 HA LEU 9 HA LEU 9 -9.412 -2.697 -3.524 64 HB2 LEU 9 1HB LEU 9 -8.111 -4.779 -3.985 65 HB3 LEU 9 2HB LEU 9 -8.016 -4.334 -5.691 66 HG LEU 9 HG LEU 9 -6.772 -2.282 -5.067 67 HD11 LEU 9 1HD1 LEU 9 -7.564 -1.842 -2.813 68 HD12 LEU 9 2HD1 LEU 9 -6.977 -3.419 -2.254 69 HD13 LEU 9 3HD1 LEU 9 -5.826 -2.138 -2.729 70 HD21 LEU 9 3HD2 LEU 9 -4.669 -3.370 -4.572 71 HD22 LEU 9 1HD2 LEU 9 -5.506 -4.784 -3.893 72 HD23 LEU 9 2HD2 LEU 9 -5.607 -4.430 -5.634 73 H VAL 10 H VAL 10 -9.764 -3.098 -7.109 74 HA VAL 10 HA VAL 10 -8.912 -0.513 -7.867 75 HB VAL 10 HB VAL 10 -11.064 -2.320 -9.031 76 HG11 VAL 10 1HG1 VAL 10 -11.758 -0.174 -9.828 77 HG12 VAL 10 2HG1 VAL 10 -10.104 0.345 -10.133 78 HG13 VAL 10 3HG1 VAL 10 -10.844 -0.907 -11.146 79 HG21 VAL 10 3HG2 VAL 10 -9.420 -2.823 -10.732 80 HG22 VAL 10 1HG2 VAL 10 -8.312 -1.586 -10.110 81 HG23 VAL 10 2HG2 VAL 10 -8.642 -3.036 -9.160 82 H HIS 11 H HIS 11 -12.099 -1.541 -6.663 83 HA HIS 11 HA HIS 11 -13.364 1.067 -6.896 84 HB2 HIS 11 1HB HIS 11 -14.082 -1.540 -5.521 85 HB3 HIS 11 2HB HIS 11 -15.053 -0.091 -5.344 86 HD2 HIS 11 2HD HIS 11 -13.540 -0.863 -8.829 87 HE1 HIS 11 1HE HIS 11 -17.737 -1.556 -9.050 88 HE2 HIS 11 2HE HIS 11 -15.605 -1.387 -10.405 89 H GLU 12 H GLU 12 -11.897 -0.696 -4.140 90 HA GLU 12 HA GLU 12 -12.551 1.227 -2.141 91 HB2 GLU 12 1HB GLU 12 -11.523 -1.282 -2.117 92 HB3 GLU 12 2HB GLU 12 -10.030 -0.397 -1.920 93 HG2 GLU 12 1HG GLU 12 -10.968 -1.078 0.221 94 HG3 GLU 12 2HG GLU 12 -10.987 0.690 0.100 95 H LEU 13 H LEU 13 -9.694 0.953 -4.274 96 HA LEU 13 HA LEU 13 -8.362 3.295 -3.165 97 HB2 LEU 13 1HB LEU 13 -8.068 1.820 -5.792 98 HB3 LEU 13 2HB LEU 13 -6.916 3.006 -5.182 99 HG LEU 13 HG LEU 13 -7.581 0.377 -3.845 100 HD11 LEU 13 1HD1 LEU 13 -6.405 0.038 -5.944 101 HD12 LEU 13 2HD1 LEU 13 -5.186 1.262 -5.499 102 HD13 LEU 13 3HD1 LEU 13 -5.289 -0.272 -4.600 103 HD21 LEU 13 3HD2 LEU 13 -5.641 0.776 -2.425 104 HD22 LEU 13 1HD2 LEU 13 -5.384 2.367 -3.188 105 HD23 LEU 13 2HD2 LEU 13 -6.830 2.061 -2.199 106 H ARG 14 H ARG 14 -10.498 2.783 -5.973 107 HA ARG 14 HA ARG 14 -10.524 5.470 -6.964 108 HB2 ARG 14 1HB ARG 14 -12.510 3.208 -7.000 109 HB3 ARG 14 2HB ARG 14 -13.057 4.811 -7.468 110 HG2 ARG 14 1HG ARG 14 -11.566 4.965 -9.295 111 HG3 ARG 14 2HG ARG 14 -10.620 3.560 -8.768 112 HD2 ARG 14 1HD ARG 14 -12.300 2.027 -9.309 113 HD3 ARG 14 2HD ARG 14 -13.568 3.268 -9.389 114 HE ARG 14 HE ARG 14 -11.872 4.004 -11.416 115 HH11 ARG 14 1HH1 ARG 14 -13.635 1.020 -10.703 116 HH12 ARG 14 2HH1 ARG 14 -13.760 0.579 -12.388 117 HH21 ARG 14 1HH2 ARG 14 -12.243 3.472 -13.573 118 HH22 ARG 14 2HH2 ARG 14 -12.978 1.930 -13.957 119 H LYS 15 H LYS 15 -12.497 4.029 -4.315 120 HA LYS 15 HA LYS 15 -13.885 6.459 -3.594 121 HB2 LYS 15 1HB LYS 15 -13.172 3.933 -2.053 122 HB3 LYS 15 2HB LYS 15 -14.160 5.229 -1.387 123 HG2 LYS 15 1HG LYS 15 -15.940 4.849 -2.926 124 HG3 LYS 15 2HG LYS 15 -14.938 3.850 -3.982 125 HD2 LYS 15 1HD LYS 15 -16.431 2.411 -2.713 126 HD3 LYS 15 2HD LYS 15 -14.756 2.120 -2.237 127 HE2 LYS 15 1HE LYS 15 -15.162 3.729 -0.274 128 HE3 LYS 15 2HE LYS 15 -16.879 3.690 -0.707 129 HZ1 LYS 15 3HZ LYS 15 -16.392 2.052 0.986 130 HZ2 LYS 15 1HZ LYS 15 -16.750 1.235 -0.388 131 HZ3 LYS 15 2HZ LYS 15 -15.185 1.389 0.106 132 H HIS 16 H HIS 16 -10.784 5.074 -2.517 133 HA HIS 16 HA HIS 16 -10.390 7.118 -0.506 134 HB2 HIS 16 1HB HIS 16 -8.665 4.807 -1.476 135 HB3 HIS 16 2HB HIS 16 -8.257 5.864 -0.123 136 HD2 HIS 16 2HD HIS 16 -8.389 3.184 0.930 137 HE1 HIS 16 1HE HIS 16 -12.508 3.538 1.863 138 HE2 HIS 16 2HE HIS 16 -10.414 2.232 2.355 139 H GLY 17 H GLY 17 -9.863 7.369 -3.795 140 HA2 GLY 17 1HA GLY 17 -9.353 9.523 -4.659 141 HA3 GLY 17 2HA GLY 17 -8.246 9.839 -3.308 142 H PHE 18 H PHE 18 -8.054 6.808 -5.111 143 HA PHE 18 HA PHE 18 -5.402 7.549 -6.197 144 HB2 PHE 18 1HB PHE 18 -6.976 4.977 -6.103 145 HB3 PHE 18 2HB PHE 18 -5.431 5.136 -6.906 146 HD1 PHE 18 2HD PHE 18 -6.943 5.819 -3.479 147 HD2 PHE 18 1HD PHE 18 -3.527 4.494 -5.741 148 HE1 PHE 18 2HE PHE 18 -5.742 5.392 -1.399 149 HE2 PHE 18 1HE PHE 18 -2.326 4.003 -3.627 150 HZ PHE 18 HZ PHE 18 -3.426 4.444 -1.446 151 H GLU 19 H GLU 19 -5.008 7.895 -8.350 152 HA GLU 19 HA GLU 19 -7.196 8.545 -10.123 153 HB2 GLU 19 1HB GLU 19 -4.219 8.202 -10.646 154 HB3 GLU 19 2HB GLU 19 -5.375 8.846 -11.807 155 HG2 GLU 19 1HG GLU 19 -4.672 10.101 -9.124 156 HG3 GLU 19 2HG GLU 19 -4.061 10.598 -10.699 157 H GLU 20 H GLU 20 -8.235 7.288 -11.622 158 HA GLU 20 HA GLU 20 -7.798 4.499 -11.582 159 HB2 GLU 20 1HB GLU 20 -9.547 4.237 -13.112 160 HB3 GLU 20 2HB GLU 20 -9.971 5.486 -11.942 161 HG2 GLU 20 1HG GLU 20 -9.388 7.231 -13.651 162 HG3 GLU 20 2HG GLU 20 -9.080 5.942 -14.824 163 H ASN 21 H ASN 21 -6.231 6.867 -13.601 164 HA ASN 21 HA ASN 21 -5.313 4.928 -15.577 165 HB2 ASN 21 1HB ASN 21 -4.156 6.642 -16.583 166 HB3 ASN 21 2HB ASN 21 -5.565 7.456 -15.927 167 HD21 ASN 21 2HD2 ASN 21 -5.203 9.110 -14.303 168 HD22 ASN 21 1HD2 ASN 21 -3.584 9.594 -13.851 169 H LEU 22 H LEU 22 -4.256 5.865 -12.371 170 HA LEU 22 HA LEU 22 -1.624 4.501 -12.651 171 HB2 LEU 22 1HB LEU 22 -2.932 5.886 -10.276 172 HB3 LEU 22 2HB LEU 22 -1.289 5.257 -10.334 173 HG LEU 22 HG LEU 22 -2.386 7.596 -11.924 174 HD11 LEU 22 1HD1 LEU 22 -1.995 8.039 -9.521 175 HD12 LEU 22 2HD1 LEU 22 -0.326 7.452 -9.682 176 HD13 LEU 22 3HD1 LEU 22 -0.843 8.925 -10.533 177 HD21 LEU 22 3HD2 LEU 22 -0.065 7.983 -12.686 178 HD22 LEU 22 1HD2 LEU 22 0.444 6.452 -11.935 179 HD23 LEU 22 2HD2 LEU 22 -0.698 6.457 -13.301 180 H MET 23 H MET 23 -4.847 3.794 -11.672 181 HA MET 23 HA MET 23 -4.676 2.035 -9.612 182 HB2 MET 23 1HB MET 23 -6.658 2.911 -10.975 183 HB3 MET 23 2HB MET 23 -6.458 1.528 -12.016 184 HG2 MET 23 1HG MET 23 -8.190 1.112 -10.328 185 HG3 MET 23 2HG MET 23 -6.824 0.036 -10.039 186 HE1 MET 23 3HE MET 23 -8.064 3.737 -7.594 187 HE2 MET 23 1HE MET 23 -6.898 4.002 -8.908 188 HE3 MET 23 2HE MET 23 -8.508 3.343 -9.262 189 H ARG 24 H ARG 24 -4.172 1.017 -13.038 190 HA ARG 24 HA ARG 24 -3.688 -1.707 -12.613 191 HB2 ARG 24 1HB ARG 24 -2.317 0.136 -14.625 192 HB3 ARG 24 2HB ARG 24 -2.373 -1.629 -14.694 193 HG2 ARG 24 1HG ARG 24 -4.872 -1.516 -14.821 194 HG3 ARG 24 2HG ARG 24 -4.754 0.251 -14.888 195 HD2 ARG 24 1HD ARG 24 -5.016 -0.508 -17.128 196 HD3 ARG 24 2HD ARG 24 -3.336 0.032 -16.949 197 HE ARG 24 HE ARG 24 -3.666 -2.807 -16.416 198 HH11 ARG 24 1HH1 ARG 24 -3.446 -0.571 -19.152 199 HH12 ARG 24 2HH1 ARG 24 -2.843 -1.798 -20.223 200 HH21 ARG 24 1HH2 ARG 24 -2.799 -4.325 -17.834 201 HH22 ARG 24 2HH2 ARG 24 -2.516 -3.894 -19.490 202 H ASN 25 H ASN 25 -1.340 0.984 -12.249 203 HA ASN 25 HA ASN 25 0.933 -0.743 -11.625 204 HB2 ASN 25 1HB ASN 25 0.429 2.236 -11.214 205 HB3 ASN 25 2HB ASN 25 1.895 1.417 -10.708 206 HD21 ASN 25 2HD2 ASN 25 0.168 2.700 -13.490 207 HD22 ASN 25 1HD2 ASN 25 1.446 2.346 -14.635 208 H TRP 26 H TRP 26 -1.393 1.201 -9.650 209 HA TRP 26 HA TRP 26 -0.264 0.541 -7.138 210 HB2 TRP 26 1HB TRP 26 -3.005 1.489 -8.019 211 HB3 TRP 26 2HB TRP 26 -2.644 1.143 -6.339 212 HD1 TRP 26 HD TRP 26 -2.577 3.952 -8.663 213 HE1 TRP 26 1HE TRP 26 -1.375 5.958 -7.620 214 HE3 TRP 26 3HE TRP 26 -0.111 1.544 -4.875 215 HZ2 TRP 26 2HZ TRP 26 0.207 6.501 -5.244 216 HZ3 TRP 26 3HZ TRP 26 1.231 2.826 -3.237 217 HH2 TRP 26 HH TRP 26 1.377 5.304 -3.394 218 H VAL 27 H VAL 27 -3.048 -1.086 -8.810 219 HA VAL 27 HA VAL 27 -3.322 -2.993 -6.678 220 HB VAL 27 HB VAL 27 -4.741 -4.335 -7.992 221 HG11 VAL 27 1HG1 VAL 27 -5.597 -2.153 -7.149 222 HG12 VAL 27 2HG1 VAL 27 -5.322 -1.457 -8.756 223 HG13 VAL 27 3HG1 VAL 27 -6.470 -2.787 -8.554 224 HG21 VAL 27 3HG2 VAL 27 -5.214 -3.897 -10.404 225 HG22 VAL 27 1HG2 VAL 27 -3.795 -2.829 -10.452 226 HG23 VAL 27 2HG2 VAL 27 -3.607 -4.558 -10.091 227 H CYS 28 H CYS 28 -1.298 -3.112 -9.640 228 HA CYS 28 HA CYS 28 -0.512 -5.861 -9.267 229 HB2 CYS 28 1HB CYS 28 -0.446 -4.404 -11.339 230 HB3 CYS 28 2HB CYS 28 1.038 -3.691 -10.720 231 H LEU 29 H LEU 29 0.954 -2.784 -8.239 232 HA LEU 29 HA LEU 29 3.230 -3.786 -6.835 233 HB2 LEU 29 1HB LEU 29 2.840 -1.481 -7.530 234 HB3 LEU 29 2HB LEU 29 1.456 -1.322 -6.471 235 HG LEU 29 HG LEU 29 4.324 -1.692 -5.513 236 HD11 LEU 29 1HD1 LEU 29 3.943 0.436 -6.776 237 HD12 LEU 29 2HD1 LEU 29 2.580 0.816 -5.705 238 HD13 LEU 29 3HD1 LEU 29 4.230 0.733 -5.061 239 HD21 LEU 29 3HD2 LEU 29 3.358 -0.734 -3.366 240 HD22 LEU 29 1HD2 LEU 29 1.740 -0.980 -4.042 241 HD23 LEU 29 2HD2 LEU 29 2.817 -2.362 -3.729 242 H VAL 30 H VAL 30 -0.042 -2.953 -5.569 243 HA VAL 30 HA VAL 30 0.383 -3.933 -2.951 244 HB VAL 30 HB VAL 30 -2.120 -3.517 -4.603 245 HG11 VAL 30 1HG1 VAL 30 -2.778 -5.240 -3.010 246 HG12 VAL 30 2HG1 VAL 30 -2.018 -4.338 -1.684 247 HG13 VAL 30 3HG1 VAL 30 -3.449 -3.690 -2.518 248 HG21 VAL 30 3HG2 VAL 30 -2.408 -1.566 -3.143 249 HG22 VAL 30 1HG2 VAL 30 -1.001 -2.047 -2.168 250 HG23 VAL 30 2HG2 VAL 30 -0.783 -1.519 -3.842 251 H GLU 31 H GLU 31 -0.884 -5.719 -5.802 252 HA GLU 31 HA GLU 31 -1.421 -8.170 -4.460 253 HB2 GLU 31 1HB GLU 31 -0.758 -7.431 -7.334 254 HB3 GLU 31 2HB GLU 31 -0.981 -9.121 -6.868 255 HG2 GLU 31 1HG GLU 31 -3.206 -8.779 -6.139 256 HG3 GLU 31 2HG GLU 31 -3.072 -7.023 -6.226 257 H HIS 32 H HIS 32 1.735 -6.856 -5.536 258 HA HIS 32 HA HIS 32 3.064 -9.445 -5.002 259 HB2 HIS 32 1HB HIS 32 3.838 -8.058 -6.856 260 HB3 HIS 32 2HB HIS 32 4.131 -6.701 -5.762 261 HD2 HIS 32 2HD HIS 32 6.148 -6.955 -3.982 262 HE1 HIS 32 1HE HIS 32 7.971 -10.386 -5.722 263 HE2 HIS 32 2HE HIS 32 8.267 -8.525 -4.003 264 H GLU 33 H GLU 33 2.652 -6.253 -3.436 265 HA GLU 33 HA GLU 33 4.647 -6.795 -1.399 266 HB2 GLU 33 1HB GLU 33 2.540 -4.622 -1.648 267 HB3 GLU 33 2HB GLU 33 3.709 -4.696 -0.340 268 HG2 GLU 33 1HG GLU 33 4.376 -4.416 -3.298 269 HG3 GLU 33 2HG GLU 33 4.398 -3.130 -2.100 270 H SER 34 H SER 34 1.012 -6.533 -1.142 271 HA SER 34 HA SER 34 1.209 -8.054 1.438 272 HB2 SER 34 1HB SER 34 -0.869 -6.994 2.034 273 HB3 SER 34 2HB SER 34 0.306 -5.754 1.578 274 HG SER 34 HG SER 34 -0.987 -5.168 0.039 275 H SER 35 H SER 35 0.210 -8.429 -1.783 276 HA SER 35 HA SER 35 -1.097 -9.894 -2.919 277 HB2 SER 35 1HB SER 35 -1.787 -11.448 -0.447 278 HB3 SER 35 2HB SER 35 -1.746 -11.981 -2.123 279 HG SER 35 HG SER 35 0.568 -11.807 -2.044 280 H ARG 36 H ARG 36 -2.177 -7.471 -1.500 281 HA ARG 36 HA ARG 36 -4.126 -6.369 -1.318 282 HB2 ARG 36 1HB ARG 36 -5.769 -8.707 -2.305 283 HB3 ARG 36 2HB ARG 36 -6.109 -6.983 -2.395 284 HG2 ARG 36 1HG ARG 36 -4.117 -6.810 -4.002 285 HG3 ARG 36 2HG ARG 36 -4.105 -8.562 -4.045 286 HD2 ARG 36 1HD ARG 36 -6.575 -6.916 -4.726 287 HD3 ARG 36 2HD ARG 36 -5.417 -7.473 -5.925 288 HE ARG 36 HE ARG 36 -7.025 -9.244 -4.119 289 HH11 ARG 36 1HH1 ARG 36 -5.576 -8.843 -7.373 290 HH12 ARG 36 2HH1 ARG 36 -6.036 -10.461 -7.813 291 HH21 ARG 36 1HH2 ARG 36 -7.489 -11.281 -4.775 292 HH22 ARG 36 2HH2 ARG 36 -7.137 -11.799 -6.396 293 H ASP 37 H ASP 37 -3.083 -7.980 0.845 294 HA ASP 37 HA ASP 37 -5.559 -8.570 2.456 295 HB2 ASP 37 1HB ASP 37 -4.390 -10.645 1.968 296 HB3 ASP 37 2HB ASP 37 -2.870 -9.956 2.520 297 H THR 38 H THR 38 -5.888 -7.157 4.040 298 HA THR 38 HA THR 38 -3.840 -5.245 4.796 299 HB THR 38 HB THR 38 -5.338 -4.449 6.550 300 HG1 THR 38 1HG THR 38 -7.307 -5.296 6.807 301 HG21 THR 38 3HG2 THR 38 -7.184 -3.666 5.142 302 HG22 THR 38 1HG2 THR 38 -5.634 -3.547 4.301 303 HG23 THR 38 2HG2 THR 38 -6.770 -4.866 3.902 304 H SER 39 H SER 39 -4.706 -8.419 6.089 305 HA SER 39 HA SER 39 -3.465 -7.984 8.687 306 HB2 SER 39 1HB SER 39 -4.344 -10.505 7.235 307 HB3 SER 39 2HB SER 39 -3.773 -10.437 8.900 308 HG SER 39 HG SER 39 -6.057 -10.394 8.778 309 H LYS 40 H LYS 40 -1.990 -8.300 5.666 310 HA LYS 40 HA LYS 40 0.004 -10.265 6.311 311 HB2 LYS 40 1HB LYS 40 -0.900 -9.592 4.005 312 HB3 LYS 40 2HB LYS 40 0.097 -8.156 4.122 313 HG2 LYS 40 1HG LYS 40 1.291 -9.771 2.816 314 HG3 LYS 40 2HG LYS 40 2.138 -9.611 4.326 315 HD2 LYS 40 1HD LYS 40 2.023 -11.950 3.565 316 HD3 LYS 40 2HD LYS 40 1.231 -11.748 5.114 317 HE2 LYS 40 1HE LYS 40 -0.082 -13.240 3.749 318 HE3 LYS 40 2HE LYS 40 -0.996 -11.757 4.008 319 HZ1 LYS 40 3HZ LYS 40 -1.064 -12.552 1.697 320 HZ2 LYS 40 1HZ LYS 40 -0.429 -11.054 1.767 321 HZ3 LYS 40 2HZ LYS 40 0.545 -12.353 1.532 322 H THR 41 H THR 41 2.149 -10.078 6.785 323 HA THR 41 HA THR 41 3.429 -7.501 7.402 324 HB THR 41 HB THR 41 4.259 -8.606 9.618 325 HG1 THR 41 1HG THR 41 2.712 -9.983 10.549 326 HG21 THR 41 3HG2 THR 41 2.390 -7.707 10.956 327 HG22 THR 41 1HG2 THR 41 2.966 -6.581 9.741 328 HG23 THR 41 2HG2 THR 41 1.445 -7.472 9.467 329 H ASN 42 H ASN 42 5.624 -7.550 7.576 330 HA ASN 42 HA ASN 42 7.133 -10.043 7.033 331 HB2 ASN 42 1HB ASN 42 6.917 -7.672 5.136 332 HB3 ASN 42 2HB ASN 42 8.334 -8.707 5.159 333 HD21 ASN 42 2HD2 ASN 42 5.066 -8.430 4.031 334 HD22 ASN 42 1HD2 ASN 42 5.029 -9.995 3.224 335 H THR 43 H THR 43 8.892 -10.059 8.296 336 HA THR 43 HA THR 43 9.762 -7.602 9.698 337 HB THR 43 HB THR 43 10.652 -10.473 10.138 338 HG1 THR 43 1HG THR 43 9.033 -10.478 11.703 339 HG21 THR 43 3HG2 THR 43 11.112 -9.612 12.450 340 HG22 THR 43 1HG2 THR 43 12.129 -8.833 11.237 341 HG23 THR 43 2HG2 THR 43 10.723 -7.967 11.898 342 H ASN 44 H ASN 44 11.793 -6.760 9.658 343 HA ASN 44 HA ASN 44 13.466 -7.440 7.284 344 HB2 ASN 44 1HB ASN 44 13.274 -4.874 8.917 345 HB3 ASN 44 2HB ASN 44 14.233 -5.107 7.460 346 HD21 ASN 44 2HD2 ASN 44 10.990 -4.726 8.730 347 HD22 ASN 44 1HD2 ASN 44 10.227 -4.343 7.172 348 H ARG 45 H ARG 45 15.767 -7.190 7.436 349 HA ARG 45 HA ARG 45 17.018 -8.501 9.650 350 HB2 ARG 45 1HB ARG 45 18.315 -6.814 7.466 351 HB3 ARG 45 2HB ARG 45 19.132 -7.974 8.524 352 HG2 ARG 45 1HG ARG 45 17.661 -9.792 7.597 353 HG3 ARG 45 2HG ARG 45 16.988 -8.609 6.457 354 HD2 ARG 45 1HD ARG 45 19.253 -8.206 5.533 355 HD3 ARG 45 2HD ARG 45 19.932 -9.400 6.639 356 HE ARG 45 HE ARG 45 18.375 -9.872 4.198 357 HH11 ARG 45 1HH1 ARG 45 19.514 -11.435 7.166 358 HH12 ARG 45 2HH1 ARG 45 19.338 -13.029 6.497 359 HH21 ARG 45 1HH2 ARG 45 18.168 -11.951 3.407 360 HH22 ARG 45 2HH2 ARG 45 18.584 -13.314 4.401 361 H ASN 46 H ASN 46 16.403 -5.135 9.066 362 HA ASN 46 HA ASN 46 18.166 -3.996 11.042 363 HB2 ASN 46 1HB ASN 46 17.214 -2.785 9.106 364 HB3 ASN 46 2HB ASN 46 15.590 -2.963 9.776 365 HD21 ASN 46 2HD2 ASN 46 18.831 -1.517 10.473 366 HD22 ASN 46 1HD2 ASN 46 18.179 -0.196 11.425 367 H GLY 47 H GLY 47 15.262 -5.824 11.443 368 HA2 GLY 47 1HA GLY 47 14.323 -6.527 13.467 369 HA3 GLY 47 2HA GLY 47 15.046 -5.146 14.326 370 H SER 48 H SER 48 13.694 -3.775 11.649 371 HA SER 48 HA SER 48 11.154 -3.016 12.936 372 HB2 SER 48 1HB SER 48 10.953 -1.557 10.946 373 HB3 SER 48 2HB SER 48 12.451 -1.297 11.842 374 HG SER 48 HG SER 48 13.076 -1.427 9.732 375 H LYS 49 H LYS 49 9.152 -3.122 11.670 376 HA LYS 49 HA LYS 49 8.951 -5.503 9.881 377 HB2 LYS 49 1HB LYS 49 8.317 -6.013 12.283 378 HB3 LYS 49 2HB LYS 49 6.970 -4.898 12.102 379 HG2 LYS 49 1HG LYS 49 5.904 -6.254 10.453 380 HG3 LYS 49 2HG LYS 49 7.357 -7.233 10.222 381 HD2 LYS 49 1HD LYS 49 5.681 -8.467 11.476 382 HD3 LYS 49 2HD LYS 49 7.151 -8.204 12.430 383 HE2 LYS 49 1HE LYS 49 6.025 -6.337 13.615 384 HE3 LYS 49 2HE LYS 49 4.557 -6.635 12.669 385 HZ1 LYS 49 3HZ LYS 49 4.461 -7.724 14.842 386 HZ2 LYS 49 1HZ LYS 49 4.458 -8.860 13.666 387 HZ3 LYS 49 2HZ LYS 49 5.817 -8.578 14.531 388 H ASP 50 H ASP 50 7.367 -5.503 8.391 389 HA ASP 50 HA ASP 50 6.275 -2.872 7.558 390 HB2 ASP 50 1HB ASP 50 6.561 -5.520 6.076 391 HB3 ASP 50 2HB ASP 50 5.991 -4.010 5.399 392 H TYR 51 H TYR 51 4.080 -2.573 7.370 393 HA TYR 51 HA TYR 51 2.220 -4.803 8.143 394 HB2 TYR 51 1HB TYR 51 2.341 -1.934 9.148 395 HB3 TYR 51 2HB TYR 51 1.095 -3.095 9.562 396 HD1 TYR 51 2HD TYR 51 4.701 -2.254 9.962 397 HD2 TYR 51 1HD TYR 51 1.412 -4.660 11.346 398 HE1 TYR 51 2HE TYR 51 5.968 -2.796 12.027 399 HE2 TYR 51 1HE TYR 51 2.660 -5.171 13.439 400 HH TYR 51 HH TYR 51 4.507 -4.646 14.731 401 H GLY 52 H GLY 52 0.103 -4.716 7.395 402 HA2 GLY 52 1HA GLY 52 -1.815 -3.876 6.392 403 HA3 GLY 52 2HA GLY 52 -1.018 -2.305 6.242 404 H LEU 53 H LEU 53 -2.483 -2.557 4.268 405 HA LEU 53 HA LEU 53 -1.828 -4.452 2.325 406 HB2 LEU 53 1HB LEU 53 -3.886 -2.621 2.707 407 HB3 LEU 53 2HB LEU 53 -2.999 -1.803 1.433 408 HG LEU 53 HG LEU 53 -3.072 -4.240 0.288 409 HD11 LEU 53 1HD1 LEU 53 -4.117 -5.287 2.245 410 HD12 LEU 53 2HD1 LEU 53 -5.522 -4.204 2.084 411 HD13 LEU 53 3HD1 LEU 53 -5.184 -5.379 0.823 412 HD21 LEU 53 3HD2 LEU 53 -5.133 -3.678 -0.825 413 HD22 LEU 53 1HD2 LEU 53 -5.477 -2.414 0.394 414 HD23 LEU 53 2HD2 LEU 53 -4.081 -2.244 -0.700 415 H PHE 54 H PHE 54 -0.214 -1.464 2.809 416 HA PHE 54 HA PHE 54 1.264 -1.780 0.227 417 HB2 PHE 54 1HB PHE 54 1.015 0.620 2.063 418 HB3 PHE 54 2HB PHE 54 1.908 0.575 0.556 419 HD1 PHE 54 2HD PHE 54 -1.506 0.429 2.025 420 HD2 PHE 54 1HD PHE 54 0.806 0.825 -1.585 421 HE1 PHE 54 2HE PHE 54 -3.553 1.057 0.800 422 HE2 PHE 54 1HE PHE 54 -1.248 1.504 -2.805 423 HZ PHE 54 HZ PHE 54 -3.429 1.614 -1.626 424 H GLN 55 H GLN 55 1.587 -3.051 3.145 425 HA GLN 55 HA GLN 55 3.238 -3.671 4.543 426 HB2 GLN 55 1HB GLN 55 4.690 -3.746 1.865 427 HB3 GLN 55 2HB GLN 55 5.361 -4.441 3.333 428 HG2 GLN 55 1HG GLN 55 2.761 -5.293 2.010 429 HG3 GLN 55 2HG GLN 55 4.310 -6.143 1.997 430 HE21 GLN 55 2HE2 GLN 55 1.383 -5.537 3.911 431 HE22 GLN 55 1HE2 GLN 55 1.886 -6.508 5.267 432 H ILE 56 H ILE 56 2.932 -1.347 5.274 433 HA ILE 56 HA ILE 56 5.121 0.527 4.719 434 HB ILE 56 HB ILE 56 2.754 0.865 6.613 435 HG12 ILE 56 1HG1 ILE 56 2.995 1.434 3.616 436 HG13 ILE 56 2HG1 ILE 56 1.874 0.277 4.368 437 HG21 ILE 56 1HG2 ILE 56 4.656 2.455 6.814 438 HG22 ILE 56 2HG2 ILE 56 4.421 2.919 5.116 439 HG23 ILE 56 3HG2 ILE 56 3.154 3.222 6.334 440 HD11 ILE 56 3HD1 ILE 56 0.518 2.081 3.802 441 HD12 ILE 56 1HD1 ILE 56 0.822 2.336 5.533 442 HD13 ILE 56 2HD1 ILE 56 1.721 3.267 4.300 443 H ASN 57 H ASN 57 6.798 1.009 6.065 444 HA ASN 57 HA ASN 57 7.256 -0.909 8.220 445 HB2 ASN 57 1HB ASN 57 8.852 -0.550 6.379 446 HB3 ASN 57 2HB ASN 57 9.104 1.110 6.943 447 HD21 ASN 57 2HD2 ASN 57 9.804 -2.279 7.525 448 HD22 ASN 57 1HD2 ASN 57 10.996 -1.987 8.800 449 H ASP 58 H ASP 58 7.524 -0.532 10.295 450 HA ASP 58 HA ASP 58 6.399 1.724 11.514 451 HB2 ASP 58 1HB ASP 58 6.786 0.732 13.556 452 HB3 ASP 58 2HB ASP 58 6.503 -0.590 12.433 453 H ARG 59 H ARG 59 9.605 1.561 10.390 454 HA ARG 59 HA ARG 59 10.827 3.242 12.446 455 HB2 ARG 59 1HB ARG 59 11.921 1.383 11.147 456 HB3 ARG 59 2HB ARG 59 11.933 2.451 9.734 457 HG2 ARG 59 1HG ARG 59 13.390 4.032 10.879 458 HG3 ARG 59 2HG ARG 59 13.165 3.182 12.419 459 HD2 ARG 59 1HD ARG 59 14.210 1.140 11.357 460 HD3 ARG 59 2HD ARG 59 14.598 2.124 9.947 461 HE ARG 59 HE ARG 59 15.598 2.484 12.742 462 HH11 ARG 59 1HH1 ARG 59 16.104 3.225 9.302 463 HH12 ARG 59 2HH1 ARG 59 17.669 3.920 9.602 464 HH21 ARG 59 1HH2 ARG 59 17.626 3.388 13.032 465 HH22 ARG 59 2HH2 ARG 59 18.510 4.016 11.675 466 H TYR 60 H TYR 60 8.995 3.862 9.565 467 HA TYR 60 HA TYR 60 10.114 6.649 9.336 468 HB2 TYR 60 1HB TYR 60 9.241 4.760 7.127 469 HB3 TYR 60 2HB TYR 60 9.933 6.349 6.903 470 HD1 TYR 60 1HD TYR 60 12.335 6.498 8.464 471 HD2 TYR 60 2HD TYR 60 10.639 3.012 6.573 472 HE1 TYR 60 1HE TYR 60 14.572 5.418 8.446 473 HE2 TYR 60 2HE TYR 60 12.871 1.932 6.549 474 HH TYR 60 HH TYR 60 15.100 2.143 7.064 475 H TRP 61 H TRP 61 7.285 4.770 8.159 476 HA TRP 61 HA TRP 61 5.829 7.330 7.819 477 HB2 TRP 61 1HB TRP 61 5.189 4.572 6.822 478 HB3 TRP 61 2HB TRP 61 4.545 6.065 6.198 479 HD1 TRP 61 HD TRP 61 6.986 3.509 5.481 480 HE1 TRP 61 1HE TRP 61 8.753 4.238 3.769 481 HE3 TRP 61 3HE TRP 61 6.020 8.543 5.399 482 HZ2 TRP 61 2HZ TRP 61 9.513 6.656 2.393 483 HZ3 TRP 61 3HZ TRP 61 7.181 10.006 3.781 484 HH2 TRP 61 HH TRP 61 8.943 9.086 2.284 485 H CYS 62 H CYS 62 5.100 4.042 9.079 486 HA CYS 62 HA CYS 62 2.951 5.163 10.811 487 HB2 CYS 62 1HB CYS 62 2.360 2.723 11.116 488 HB3 CYS 62 2HB CYS 62 2.077 3.393 9.529 489 H SER 63 H SER 63 2.850 4.316 13.022 490 HA SER 63 HA SER 63 5.522 3.872 14.300 491 HB2 SER 63 1HB SER 63 4.142 5.938 14.867 492 HB3 SER 63 2HB SER 63 2.942 4.855 15.576 493 HG SER 63 HG SER 63 4.432 5.567 17.163 494 H LYS 64 H LYS 64 5.891 2.098 15.539 495 HA LYS 64 HA LYS 64 3.979 -0.112 15.548 496 HB2 LYS 64 1HB LYS 64 5.812 -1.307 16.759 497 HB3 LYS 64 2HB LYS 64 6.265 -0.690 15.188 498 HG2 LYS 64 1HG LYS 64 7.566 1.085 16.111 499 HG3 LYS 64 2HG LYS 64 6.820 0.932 17.711 500 HD2 LYS 64 1HD LYS 64 7.902 -1.146 18.150 501 HD3 LYS 64 2HD LYS 64 8.510 -1.267 16.473 502 HE2 LYS 64 1HE LYS 64 9.817 0.812 16.805 503 HE3 LYS 64 2HE LYS 64 9.234 0.923 18.473 504 HZ1 LYS 64 3HZ LYS 64 11.433 -0.101 18.370 505 HZ2 LYS 64 1HZ LYS 64 10.356 -1.196 18.928 506 HZ3 LYS 64 2HZ LYS 64 10.895 -1.288 17.384 507 H GLY 65 H GLY 65 4.436 2.454 17.744 508 HA2 GLY 65 1HA GLY 65 4.084 0.983 20.239 509 HA3 GLY 65 2HA GLY 65 4.079 2.736 20.023 510 H ALA 66 H ALA 66 2.341 2.434 21.725 511 HA ALA 66 HA ALA 66 -0.227 1.317 20.915 512 HB1 ALA 66 1HB ALA 66 0.608 1.245 23.243 513 HB2 ALA 66 2HB ALA 66 0.543 3.025 23.322 514 HB3 ALA 66 3HB ALA 66 -0.951 2.082 23.129 515 H SER 67 H SER 67 1.207 4.244 20.117 516 HA SER 67 HA SER 67 -1.390 5.531 19.424 517 HB2 SER 67 1HB SER 67 0.957 6.851 20.841 518 HB3 SER 67 2HB SER 67 -0.410 7.722 20.132 519 HG SER 67 HG SER 67 -0.680 7.338 22.398 520 HA PRO 68 HA PRO 68 0.830 6.368 15.574 521 HB2 PRO 68 1HB PRO 68 -0.564 8.499 14.585 522 HB3 PRO 68 2HB PRO 68 -1.269 6.854 14.670 523 HG2 PRO 68 1HG PRO 68 -1.625 9.127 16.645 524 HG3 PRO 68 2HG PRO 68 -2.893 8.111 15.883 525 HD2 PRO 68 1HD PRO 68 -1.921 7.567 18.361 526 HD3 PRO 68 2HD PRO 68 -2.344 6.250 17.225 527 H GLY 69 H GLY 69 2.287 8.009 14.649 528 HA2 GLY 69 1HA GLY 69 2.904 10.535 15.577 529 HA3 GLY 69 2HA GLY 69 3.648 9.507 16.791 530 H LYS 70 H LYS 70 3.422 9.110 13.263 531 HA LYS 70 HA LYS 70 6.354 9.488 12.901 532 HB2 LYS 70 1HB LYS 70 4.667 7.069 12.213 533 HB3 LYS 70 2HB LYS 70 6.063 7.450 11.218 534 HG2 LYS 70 1HG LYS 70 6.373 7.287 14.237 535 HG3 LYS 70 2HG LYS 70 6.353 5.834 13.265 536 HD2 LYS 70 1HD LYS 70 8.218 6.606 11.910 537 HD3 LYS 70 2HD LYS 70 8.266 8.145 12.809 538 HE2 LYS 70 1HE LYS 70 8.653 6.806 14.921 539 HE3 LYS 70 2HE LYS 70 8.758 5.345 13.928 540 HZ1 LYS 70 3HZ LYS 70 10.954 6.261 14.392 541 HZ2 LYS 70 1HZ LYS 70 10.670 6.356 12.782 542 HZ3 LYS 70 2HZ LYS 70 10.565 7.696 13.719 543 H ASP 71 H ASP 71 6.552 9.242 10.165 544 HA ASP 71 HA ASP 71 5.885 11.856 9.475 545 HB2 ASP 71 1HB ASP 71 7.686 10.489 8.476 546 HB3 ASP 71 2HB ASP 71 6.479 9.555 7.586 547 H CYS 72 H CYS 72 3.855 9.028 8.949 548 HA CYS 72 HA CYS 72 1.881 10.654 7.392 549 HB2 CYS 72 1HB CYS 72 2.138 7.666 7.724 550 HB3 CYS 72 2HB CYS 72 0.977 8.516 6.703 551 H ASN 73 H ASN 73 2.374 10.235 10.554 552 HA ASN 73 HA ASN 73 1.131 10.313 12.417 553 HB2 ASN 73 1HB ASN 73 0.588 12.428 11.193 554 HB3 ASN 73 2HB ASN 73 -0.884 11.669 10.586 555 HD21 ASN 73 2HD2 ASN 73 -2.203 13.275 11.669 556 HD22 ASN 73 1HD2 ASN 73 -2.402 13.235 13.413 557 H VAL 74 H VAL 74 1.034 7.830 11.610 558 HA VAL 74 HA VAL 74 -1.633 6.808 12.323 559 HB VAL 74 HB VAL 74 -1.628 7.166 9.860 560 HG11 VAL 74 1HG1 VAL 74 0.776 6.715 9.405 561 HG12 VAL 74 2HG1 VAL 74 0.506 4.996 9.759 562 HG13 VAL 74 3HG1 VAL 74 -0.304 5.754 8.380 563 HG21 VAL 74 3HG2 VAL 74 -2.605 5.065 9.271 564 HG22 VAL 74 1HG2 VAL 74 -1.761 4.221 10.580 565 HG23 VAL 74 2HG2 VAL 74 -3.022 5.420 10.955 566 H LYS 75 H LYS 75 -1.655 4.623 12.895 567 HA LYS 75 HA LYS 75 0.891 3.649 14.085 568 HB2 LYS 75 1HB LYS 75 -1.166 4.412 15.366 569 HB3 LYS 75 2HB LYS 75 -1.993 2.963 14.770 570 HG2 LYS 75 1HG LYS 75 -0.276 1.563 15.948 571 HG3 LYS 75 2HG LYS 75 0.560 3.054 16.436 572 HD2 LYS 75 1HD LYS 75 -0.728 2.458 18.310 573 HD3 LYS 75 2HD LYS 75 -1.606 3.788 17.563 574 HE2 LYS 75 1HE LYS 75 -3.048 1.937 16.444 575 HE3 LYS 75 2HE LYS 75 -2.235 0.818 17.560 576 HZ1 LYS 75 3HZ LYS 75 -4.278 1.564 18.541 577 HZ2 LYS 75 1HZ LYS 75 -3.062 2.260 19.398 578 HZ3 LYS 75 2HZ LYS 75 -3.919 3.138 18.316 579 H CYS 76 H CYS 76 1.708 1.643 13.588 580 HA CYS 76 HA CYS 76 1.161 0.223 11.252 581 HB2 CYS 76 1HB CYS 76 2.282 -0.829 13.882 582 HB3 CYS 76 2HB CYS 76 2.462 -1.591 12.307 583 H SER 77 H SER 77 -0.298 -0.393 14.468 584 HA SER 77 HA SER 77 -1.654 -2.829 13.686 585 HB2 SER 77 1HB SER 77 -1.027 -2.110 16.024 586 HB3 SER 77 2HB SER 77 -2.378 -0.962 15.965 587 HG SER 77 HG SER 77 -2.942 -3.001 16.933 588 H ASP 78 H ASP 78 -2.597 0.603 13.413 589 HA ASP 78 HA ASP 78 -5.381 0.070 12.734 590 HB2 ASP 78 1HB ASP 78 -3.551 2.463 12.801 591 HB3 ASP 78 2HB ASP 78 -4.915 2.523 11.716 592 H LEU 79 H LEU 79 -2.385 -0.324 11.048 593 HA LEU 79 HA LEU 79 -3.615 -0.096 8.379 594 HB2 LEU 79 1HB LEU 79 -0.955 -1.396 9.014 595 HB3 LEU 79 2HB LEU 79 -1.530 -0.702 7.502 596 HG LEU 79 HG LEU 79 -0.668 0.820 9.980 597 HD11 LEU 79 1HD1 LEU 79 1.157 -0.053 8.625 598 HD12 LEU 79 2HD1 LEU 79 0.415 0.584 7.144 599 HD13 LEU 79 3HD1 LEU 79 1.039 1.697 8.375 600 HD21 LEU 79 3HD2 LEU 79 -1.025 2.880 8.610 601 HD22 LEU 79 1HD2 LEU 79 -1.843 1.882 7.395 602 HD23 LEU 79 2HD2 LEU 79 -2.541 2.068 9.017 603 H LEU 80 H LEU 80 -3.551 -2.466 10.842 604 HA LEU 80 HA LEU 80 -3.928 -4.753 9.005 605 HB2 LEU 80 1HB LEU 80 -3.818 -4.720 12.033 606 HB3 LEU 80 2HB LEU 80 -3.753 -6.133 10.988 607 HG LEU 80 HG LEU 80 -1.626 -3.976 11.209 608 HD11 LEU 80 1HD1 LEU 80 -1.793 -5.466 13.173 609 HD12 LEU 80 2HD1 LEU 80 -1.674 -6.889 12.116 610 HD13 LEU 80 3HD1 LEU 80 -0.300 -5.780 12.278 611 HD21 LEU 80 3HD2 LEU 80 -0.214 -5.493 9.820 612 HD22 LEU 80 1HD2 LEU 80 -1.637 -6.510 9.519 613 HD23 LEU 80 2HD2 LEU 80 -1.587 -4.829 8.934 614 H THR 81 H THR 81 -5.953 -2.438 9.889 615 HA THR 81 HA THR 81 -8.206 -3.964 10.964 616 HB THR 81 HB THR 81 -7.595 -1.649 11.636 617 HG1 THR 81 1HG THR 81 -9.761 -1.106 11.837 618 HG21 THR 81 3HG2 THR 81 -8.060 0.235 10.358 619 HG22 THR 81 1HG2 THR 81 -7.313 -0.834 9.169 620 HG23 THR 81 2HG2 THR 81 -9.077 -0.653 9.190 621 H ASP 82 H ASP 82 -10.390 -3.179 9.824 622 HA ASP 82 HA ASP 82 -10.360 -4.843 7.373 623 HB2 ASP 82 1HB ASP 82 -12.695 -3.923 9.087 624 HB3 ASP 82 2HB ASP 82 -12.748 -5.149 7.818 625 H ASP 83 H ASP 83 -9.932 -1.743 7.633 626 HA ASP 83 HA ASP 83 -11.088 -1.219 4.962 627 HB2 ASP 83 1HB ASP 83 -12.510 -0.014 6.652 628 HB3 ASP 83 2HB ASP 83 -11.085 0.902 7.143 629 H ILE 84 H ILE 84 -9.534 -0.663 3.634 630 HA ILE 84 HA ILE 84 -6.789 -0.706 4.472 631 HB ILE 84 HB ILE 84 -6.248 -0.613 2.160 632 HG12 ILE 84 1HG1 ILE 84 -9.085 0.360 1.583 633 HG13 ILE 84 2HG1 ILE 84 -7.636 1.361 1.586 634 HG21 ILE 84 1HG2 ILE 84 -7.513 -2.672 2.991 635 HG22 ILE 84 2HG2 ILE 84 -8.959 -2.016 2.228 636 HG23 ILE 84 3HG2 ILE 84 -7.558 -2.441 1.242 637 HD11 ILE 84 3HD1 ILE 84 -8.224 0.851 -0.665 638 HD12 ILE 84 1HD1 ILE 84 -6.669 0.079 -0.251 639 HD13 ILE 84 2HD1 ILE 84 -8.164 -0.893 -0.354 640 H THR 85 H THR 85 -8.959 1.918 4.408 641 HA THR 85 HA THR 85 -7.570 4.018 3.271 642 HB THR 85 HB THR 85 -9.893 4.072 3.941 643 HG1 THR 85 1HG THR 85 -9.834 6.257 4.508 644 HG21 THR 85 3HG2 THR 85 -10.607 4.641 6.162 645 HG22 THR 85 1HG2 THR 85 -9.631 3.170 6.280 646 HG23 THR 85 2HG2 THR 85 -8.933 4.737 6.751 647 H LYS 86 H LYS 86 -7.057 2.875 6.610 648 HA LYS 86 HA LYS 86 -5.343 5.029 7.405 649 HB2 LYS 86 1HB LYS 86 -5.276 2.116 8.288 650 HB3 LYS 86 2HB LYS 86 -4.583 3.478 9.162 651 HG2 LYS 86 1HG LYS 86 -7.547 2.937 8.696 652 HG3 LYS 86 2HG LYS 86 -6.660 2.765 10.203 653 HD2 LYS 86 1HD LYS 86 -6.190 5.267 10.144 654 HD3 LYS 86 2HD LYS 86 -7.235 5.357 8.720 655 HE2 LYS 86 1HE LYS 86 -8.715 5.919 10.408 656 HE3 LYS 86 2HE LYS 86 -9.047 4.203 10.167 657 HZ1 LYS 86 3HZ LYS 86 -8.862 4.726 12.513 658 HZ2 LYS 86 1HZ LYS 86 -7.593 3.770 12.145 659 HZ3 LYS 86 2HZ LYS 86 -7.380 5.378 12.332 660 H ALA 87 H ALA 87 -4.682 2.179 5.452 661 HA ALA 87 HA ALA 87 -1.762 2.729 5.347 662 HB1 ALA 87 1HB ALA 87 -2.750 0.379 5.557 663 HB2 ALA 87 2HB ALA 87 -3.381 0.578 3.906 664 HB3 ALA 87 3HB ALA 87 -1.628 0.623 4.215 665 H ALA 88 H ALA 88 -4.663 2.854 3.268 666 HA ALA 88 HA ALA 88 -3.302 3.520 0.870 667 HB1 ALA 88 1HB ALA 88 -5.616 2.528 1.174 668 HB2 ALA 88 2HB ALA 88 -6.187 4.162 1.602 669 HB3 ALA 88 3HB ALA 88 -5.509 3.831 -0.002 670 H LYS 89 H LYS 89 -4.776 5.736 3.312 671 HA LYS 89 HA LYS 89 -4.077 8.143 1.833 672 HB2 LYS 89 1HB LYS 89 -4.632 7.645 4.779 673 HB3 LYS 89 2HB LYS 89 -4.478 9.241 4.047 674 HG2 LYS 89 1HG LYS 89 -6.635 7.191 3.360 675 HG3 LYS 89 2HG LYS 89 -6.826 8.598 4.406 676 HD2 LYS 89 1HD LYS 89 -6.247 10.070 2.440 677 HD3 LYS 89 2HD LYS 89 -6.247 8.615 1.411 678 HE2 LYS 89 1HE LYS 89 -8.590 8.140 2.090 679 HE3 LYS 89 2HE LYS 89 -8.591 9.590 3.102 680 HZ1 LYS 89 3HZ LYS 89 -9.597 10.056 0.964 681 HZ2 LYS 89 1HZ LYS 89 -8.206 10.906 1.073 682 HZ3 LYS 89 2HZ LYS 89 -8.268 9.547 0.150 683 H CYS 90 H CYS 90 -2.340 6.144 4.154 684 HA CYS 90 HA CYS 90 -0.025 7.897 4.440 685 HB2 CYS 90 1HB CYS 90 -0.588 6.319 6.137 686 HB3 CYS 90 2HB CYS 90 -0.559 4.962 5.007 687 H ALA 91 H ALA 91 -0.865 5.209 2.222 688 HA ALA 91 HA ALA 91 1.543 5.187 0.734 689 HB1 ALA 91 1HB ALA 91 -0.272 3.487 0.640 690 HB2 ALA 91 2HB ALA 91 -1.284 4.640 -0.244 691 HB3 ALA 91 3HB ALA 91 0.223 4.060 -0.967 692 H LYS 92 H LYS 92 -1.387 7.331 0.217 693 HA LYS 92 HA LYS 92 -0.226 8.778 -1.928 694 HB2 LYS 92 1HB LYS 92 -1.934 10.102 0.183 695 HB3 LYS 92 2HB LYS 92 -1.764 10.525 -1.514 696 HG2 LYS 92 1HG LYS 92 -3.241 8.222 -0.274 697 HG3 LYS 92 2HG LYS 92 -3.930 9.559 -1.145 698 HD2 LYS 92 1HD LYS 92 -2.173 7.434 -2.485 699 HD3 LYS 92 2HD LYS 92 -3.898 7.306 -2.241 700 HE2 LYS 92 1HE LYS 92 -3.651 8.015 -4.445 701 HE3 LYS 92 2HE LYS 92 -4.301 9.374 -3.527 702 HZ1 LYS 92 3HZ LYS 92 -2.553 10.061 -5.061 703 HZ2 LYS 92 1HZ LYS 92 -2.071 10.353 -3.534 704 HZ3 LYS 92 2HZ LYS 92 -1.462 9.067 -4.364 705 H LYS 93 H LYS 93 0.171 9.339 1.594 706 HA LYS 93 HA LYS 93 1.811 11.679 1.330 707 HB2 LYS 93 1HB LYS 93 0.548 11.054 3.358 708 HB3 LYS 93 2HB LYS 93 1.583 9.651 3.584 709 HG2 LYS 93 1HG LYS 93 2.175 11.432 5.119 710 HG3 LYS 93 2HG LYS 93 3.520 11.088 4.036 711 HD2 LYS 93 1HD LYS 93 3.040 13.120 2.732 712 HD3 LYS 93 2HD LYS 93 1.546 13.378 3.648 713 HE2 LYS 93 1HE LYS 93 3.165 14.889 4.531 714 HE3 LYS 93 2HE LYS 93 2.907 13.631 5.743 715 HZ1 LYS 93 3HZ LYS 93 5.264 14.163 5.410 716 HZ2 LYS 93 1HZ LYS 93 4.991 12.602 5.066 717 HZ3 LYS 93 2HZ LYS 93 5.194 13.684 3.848 718 H ILE 94 H ILE 94 2.659 8.266 1.130 719 HA ILE 94 HA ILE 94 5.561 8.764 0.976 720 HB ILE 94 HB ILE 94 3.855 6.369 0.170 721 HG12 ILE 94 1HG1 ILE 94 5.772 6.645 2.506 722 HG13 ILE 94 2HG1 ILE 94 4.069 7.012 2.682 723 HG21 ILE 94 1HG2 ILE 94 5.896 6.398 -1.174 724 HG22 ILE 94 2HG2 ILE 94 6.880 6.757 0.259 725 HG23 ILE 94 3HG2 ILE 94 6.076 5.177 0.081 726 HD11 ILE 94 3HD1 ILE 94 4.442 4.782 3.475 727 HD12 ILE 94 1HD1 ILE 94 3.492 4.686 1.982 728 HD13 ILE 94 2HD1 ILE 94 5.229 4.295 1.967 729 H TYR 95 H TYR 95 2.970 8.180 -1.435 730 HA TYR 95 HA TYR 95 4.510 8.372 -3.752 731 HB2 TYR 95 1HB TYR 95 2.470 7.475 -4.076 732 HB3 TYR 95 2HB TYR 95 1.643 8.605 -3.027 733 HD1 TYR 95 2HD TYR 95 1.271 11.031 -3.851 734 HD2 TYR 95 1HD TYR 95 2.146 7.672 -6.409 735 HE1 TYR 95 2HE TYR 95 0.288 12.248 -5.782 736 HE2 TYR 95 1HE TYR 95 1.176 8.891 -8.345 737 HH TYR 95 HH TYR 95 -0.202 12.190 -8.033 738 H LYS 96 H LYS 96 3.410 11.024 -1.761 739 HA LYS 96 HA LYS 96 3.938 13.269 -3.415 740 HB2 LYS 96 1HB LYS 96 4.262 12.664 -0.455 741 HB3 LYS 96 2HB LYS 96 4.633 14.258 -1.073 742 HG2 LYS 96 1HG LYS 96 1.912 12.906 -1.307 743 HG3 LYS 96 2HG LYS 96 2.356 14.088 -0.087 744 HD2 LYS 96 1HD LYS 96 2.174 14.594 -3.090 745 HD3 LYS 96 2HD LYS 96 1.008 15.081 -1.861 746 HE2 LYS 96 1HE LYS 96 2.761 16.487 -0.762 747 HE3 LYS 96 2HE LYS 96 3.897 16.055 -2.047 748 HZ1 LYS 96 3HZ LYS 96 2.825 18.178 -2.493 749 HZ2 LYS 96 1HZ LYS 96 2.386 17.105 -3.642 750 HZ3 LYS 96 2HZ LYS 96 1.339 17.506 -2.451 751 H ARG 97 H ARG 97 6.262 11.067 -1.957 752 HA ARG 97 HA ARG 97 8.542 12.736 -2.982 753 HB2 ARG 97 1HB ARG 97 8.505 10.691 -0.725 754 HB3 ARG 97 2HB ARG 97 9.922 11.570 -1.293 755 HG2 ARG 97 1HG ARG 97 7.469 12.797 0.047 756 HG3 ARG 97 2HG ARG 97 9.050 12.522 0.780 757 HD2 ARG 97 1HD ARG 97 10.078 14.084 -0.876 758 HD3 ARG 97 2HD ARG 97 8.459 14.416 -1.531 759 HE ARG 97 HE ARG 97 8.479 14.840 1.301 760 HH11 ARG 97 1HH1 ARG 97 9.635 16.410 -1.653 761 HH12 ARG 97 2HH1 ARG 97 9.601 17.992 -0.934 762 HH21 ARG 97 1HH2 ARG 97 8.460 16.911 2.167 763 HH22 ARG 97 2HH2 ARG 97 8.945 18.268 1.196 764 H HIS 98 H HIS 98 7.180 9.469 -2.786 765 HA HIS 98 HA HIS 98 8.868 8.571 -5.086 766 HB2 HIS 98 1HB HIS 98 8.490 7.153 -2.420 767 HB3 HIS 98 2HB HIS 98 9.286 6.464 -3.834 768 HD2 HIS 98 2HD HIS 98 9.984 8.447 -0.757 769 HE1 HIS 98 1HE HIS 98 13.479 8.896 -3.146 770 HE2 HIS 98 2HE HIS 98 12.488 9.257 -0.827 771 H ARG 99 H ARG 99 6.982 8.750 -6.406 772 HA ARG 99 HA ARG 99 4.417 8.025 -5.854 773 HB2 ARG 99 1HB ARG 99 3.922 7.961 -8.130 774 HB3 ARG 99 2HB ARG 99 4.911 9.339 -7.646 775 HG2 ARG 99 1HG ARG 99 6.925 8.227 -8.641 776 HG3 ARG 99 2HG ARG 99 5.887 6.860 -9.149 777 HD2 ARG 99 1HD ARG 99 4.402 8.442 -10.299 778 HD3 ARG 99 2HD ARG 99 5.462 9.780 -9.831 779 HE ARG 99 HE ARG 99 7.074 7.891 -11.185 780 HH11 ARG 99 1HH1 ARG 99 4.394 10.025 -12.068 781 HH12 ARG 99 2HH1 ARG 99 4.901 10.125 -13.727 782 HH21 ARG 99 1HH2 ARG 99 7.674 8.065 -13.339 783 HH22 ARG 99 2HH2 ARG 99 6.734 9.033 -14.432 784 H PHE 100 H PHE 100 6.831 5.793 -7.184 785 HA PHE 100 HA PHE 100 5.275 3.492 -6.121 786 HB2 PHE 100 1HB PHE 100 6.502 3.557 -8.895 787 HB3 PHE 100 2HB PHE 100 5.687 2.205 -8.115 788 HD1 PHE 100 1HD PHE 100 3.204 2.696 -7.275 789 HD2 PHE 100 2HD PHE 100 5.225 4.796 -10.453 790 HE1 PHE 100 1HE PHE 100 1.023 3.340 -8.235 791 HE2 PHE 100 2HE PHE 100 3.032 5.454 -11.407 792 HZ PHE 100 HZ PHE 100 0.925 4.726 -10.301 793 H ASP 101 H ASP 101 8.305 5.075 -6.452 794 HA ASP 101 HA ASP 101 10.034 2.803 -6.580 795 HB2 ASP 101 1HB ASP 101 10.537 5.070 -7.446 796 HB3 ASP 101 2HB ASP 101 10.590 5.689 -5.794 797 H ALA 102 H ALA 102 8.360 4.083 -3.882 798 HA ALA 102 HA ALA 102 10.247 3.271 -1.811 799 HB1 ALA 102 1HB ALA 102 8.621 5.066 -1.431 800 HB2 ALA 102 2HB ALA 102 7.274 3.939 -1.721 801 HB3 ALA 102 3HB ALA 102 8.327 3.731 -0.309 802 H TRP 103 H TRP 103 8.415 1.444 -3.935 803 HA TRP 103 HA TRP 103 8.292 -0.916 -2.097 804 HB2 TRP 103 1HB TRP 103 6.379 -0.087 -4.313 805 HB3 TRP 103 2HB TRP 103 6.285 -1.584 -3.395 806 HD1 TRP 103 HD TRP 103 5.618 -1.413 -0.807 807 HE1 TRP 103 1HE TRP 103 4.163 0.231 0.464 808 HE3 TRP 103 3HE TRP 103 5.771 2.492 -4.106 809 HZ2 TRP 103 2HZ TRP 103 3.085 2.908 0.064 810 HZ3 TRP 103 3HZ TRP 103 4.521 4.580 -3.643 811 HH2 TRP 103 HH TRP 103 3.138 4.786 -1.584 812 H TYR 104 H TYR 104 8.793 -2.905 -2.892 813 HA TYR 104 HA TYR 104 10.867 -2.736 -4.952 814 HB2 TYR 104 1HB TYR 104 11.174 -3.743 -2.671 815 HB3 TYR 104 2HB TYR 104 10.095 -5.051 -3.144 816 HD1 TYR 104 2HD TYR 104 13.150 -3.217 -4.318 817 HD2 TYR 104 1HD TYR 104 11.097 -6.994 -4.070 818 HE1 TYR 104 2HE TYR 104 15.114 -4.350 -5.375 819 HE2 TYR 104 1HE TYR 104 13.061 -8.139 -5.087 820 HH TYR 104 HH TYR 104 15.170 -7.891 -5.977 821 H GLY 105 H GLY 105 7.776 -4.504 -4.539 822 HA2 GLY 105 1HA GLY 105 8.019 -6.275 -6.747 823 HA3 GLY 105 2HA GLY 105 6.491 -5.666 -6.063 824 H TRP 106 H TRP 106 6.958 -2.877 -6.685 825 HA TRP 106 HA TRP 106 5.840 -2.796 -9.275 826 HB2 TRP 106 1HB TRP 106 5.439 -1.089 -7.636 827 HB3 TRP 106 2HB TRP 106 7.127 -0.576 -7.692 828 HD1 TRP 106 HD TRP 106 3.950 -0.650 -9.867 829 HE1 TRP 106 1HE TRP 106 4.185 1.004 -11.815 830 HE3 TRP 106 3HE TRP 106 8.785 0.816 -9.078 831 HZ2 TRP 106 2HZ TRP 106 6.201 2.821 -12.838 832 HZ3 TRP 106 3HZ TRP 106 9.856 2.476 -10.563 833 HH2 TRP 106 HH TRP 106 8.575 3.496 -12.445 834 H LYS 107 H LYS 107 9.209 -2.269 -8.247 835 HA LYS 107 HA LYS 107 10.074 -1.863 -11.056 836 HB2 LYS 107 1HB LYS 107 12.280 -1.287 -9.970 837 HB3 LYS 107 2HB LYS 107 10.922 -0.193 -9.750 838 HG2 LYS 107 1HG LYS 107 10.531 -1.016 -7.487 839 HG3 LYS 107 2HG LYS 107 11.846 -2.207 -7.655 840 HD2 LYS 107 1HD LYS 107 13.485 -0.403 -7.869 841 HD3 LYS 107 2HD LYS 107 12.190 0.812 -7.936 842 HE2 LYS 107 1HE LYS 107 11.468 0.163 -5.644 843 HE3 LYS 107 2HE LYS 107 12.818 -0.981 -5.545 844 HZ1 LYS 107 3HZ LYS 107 13.281 1.224 -4.535 845 HZ2 LYS 107 1HZ LYS 107 14.343 0.881 -5.743 846 HZ3 LYS 107 2HZ LYS 107 13.113 1.938 -5.996 847 H ASN 108 H ASN 108 10.092 -4.451 -8.735 848 HA ASN 108 HA ASN 108 12.164 -5.929 -10.220 849 HB2 ASN 108 1HB ASN 108 12.010 -5.874 -7.712 850 HB3 ASN 108 2HB ASN 108 10.506 -6.789 -7.829 851 HD21 ASN 108 2HD2 ASN 108 11.124 -8.791 -6.981 852 HD22 ASN 108 1HD2 ASN 108 12.468 -9.734 -7.606 853 H HIS 109 H HIS 109 8.646 -5.834 -10.176 854 HA HIS 109 HA HIS 109 8.573 -8.078 -12.170 855 HB2 HIS 109 1HB HIS 109 6.855 -7.733 -9.685 856 HB3 HIS 109 2HB HIS 109 6.427 -8.787 -11.028 857 HD2 HIS 109 2HD HIS 109 8.528 -8.718 -7.918 858 HE1 HIS 109 1HE HIS 109 9.562 -12.328 -9.928 859 HE2 HIS 109 2HE HIS 109 9.782 -11.036 -7.749 860 H CYS 110 H CYS 110 6.649 -5.301 -10.860 861 HA CYS 110 HA CYS 110 4.661 -5.524 -12.887 862 HB2 CYS 110 1HB CYS 110 5.287 -3.023 -11.310 863 HB3 CYS 110 2HB CYS 110 3.764 -3.478 -12.033 864 H GLN 111 H GLN 111 7.788 -4.342 -13.390 865 HA GLN 111 HA GLN 111 7.206 -2.393 -15.483 866 HB2 GLN 111 1HB GLN 111 9.725 -4.046 -15.000 867 HB3 GLN 111 2HB GLN 111 9.594 -2.625 -16.029 868 HG2 GLN 111 1HG GLN 111 9.314 -2.694 -13.004 869 HG3 GLN 111 2HG GLN 111 10.681 -2.077 -13.911 870 HE21 GLN 111 2HE2 GLN 111 7.862 -1.111 -12.312 871 HE22 GLN 111 1HE2 GLN 111 7.748 0.483 -13.046 872 H GLY 112 H GLY 112 7.287 -5.919 -15.404 873 HA2 GLY 112 1HA GLY 112 7.866 -6.259 -18.243 874 HA3 GLY 112 2HA GLY 112 7.358 -7.510 -17.083 875 H SER 113 H SER 113 4.917 -6.233 -16.285 876 HA SER 113 HA SER 113 3.125 -5.588 -18.426 877 HB2 SER 113 1HB SER 113 3.288 -8.480 -17.516 878 HB3 SER 113 2HB SER 113 1.735 -7.770 -17.960 879 HG SER 113 HG SER 113 4.024 -7.734 -19.657 880 H LEU 114 H LEU 114 1.145 -4.884 -17.606 881 HA LEU 114 HA LEU 114 0.679 -5.122 -14.670 882 HB2 LEU 114 1HB LEU 114 -0.204 -3.010 -16.684 883 HB3 LEU 114 2HB LEU 114 -0.695 -3.061 -14.996 884 HG LEU 114 HG LEU 114 2.187 -2.716 -15.931 885 HD11 LEU 114 1HD1 LEU 114 0.715 -0.821 -16.535 886 HD12 LEU 114 2HD1 LEU 114 0.215 -0.671 -14.832 887 HD13 LEU 114 3HD1 LEU 114 1.906 -0.379 -15.303 888 HD21 LEU 114 3HD2 LEU 114 2.560 -2.013 -13.552 889 HD22 LEU 114 1HD2 LEU 114 0.905 -2.528 -13.164 890 HD23 LEU 114 2HD2 LEU 114 2.110 -3.717 -13.696 891 HA PRO 115 HA PRO 115 -3.016 -7.412 -15.671 892 HB2 PRO 115 1HB PRO 115 -4.581 -6.960 -13.493 893 HB3 PRO 115 2HB PRO 115 -3.078 -7.938 -13.403 894 HG2 PRO 115 1HG PRO 115 -3.448 -5.004 -12.705 895 HG3 PRO 115 2HG PRO 115 -2.648 -6.281 -11.730 896 HD2 PRO 115 1HD PRO 115 -1.234 -4.585 -13.330 897 HD3 PRO 115 2HD PRO 115 -0.761 -6.306 -13.143 898 H ASP 116 H ASP 116 -5.165 -7.121 -16.403 899 HA ASP 116 HA ASP 116 -5.967 -4.395 -17.128 900 HB2 ASP 116 1HB ASP 116 -6.241 -6.234 -18.721 901 HB3 ASP 116 2HB ASP 116 -7.296 -7.083 -17.585 902 H ILE 117 H ILE 117 -7.790 -3.407 -16.520 903 HA ILE 117 HA ILE 117 -9.257 -4.233 -14.038 904 HB ILE 117 HB ILE 117 -9.164 -1.890 -13.270 905 HG12 ILE 117 1HG1 ILE 117 -7.088 -1.412 -15.461 906 HG13 ILE 117 2HG1 ILE 117 -8.773 -0.907 -15.587 907 HG21 ILE 117 1HG2 ILE 117 -7.549 -3.585 -12.427 908 HG22 ILE 117 2HG2 ILE 117 -6.370 -3.052 -13.641 909 HG23 ILE 117 3HG2 ILE 117 -6.909 -1.940 -12.366 910 HD11 ILE 117 3HD1 ILE 117 -7.457 0.955 -14.898 911 HD12 ILE 117 1HD1 ILE 117 -8.501 0.469 -13.542 912 HD13 ILE 117 2HD1 ILE 117 -6.766 0.033 -13.548 913 H SER 118 H SER 118 -9.565 -3.478 -17.253 914 HA SER 118 HA SER 118 -11.618 -1.562 -17.369 915 HB2 SER 118 1HB SER 118 -11.193 -3.868 -19.303 916 HB3 SER 118 2HB SER 118 -12.011 -2.336 -19.633 917 HG SER 118 HG SER 118 -9.252 -2.851 -19.206 918 H SER 119 H SER 119 -11.996 -4.877 -16.366 919 HA SER 119 HA SER 119 -14.898 -4.979 -16.776 920 HB2 SER 119 1HB SER 119 -13.028 -6.767 -15.179 921 HB3 SER 119 2HB SER 119 -14.712 -7.112 -15.593 922 HG SER 119 HG SER 119 -13.246 -8.142 -17.041 923 H CYS 120 H CYS 120 -12.995 -3.331 -14.507 924 HA CYS 120 HA CYS 120 -14.770 -3.794 -12.183 925 HB2 CYS 120 1HB CYS 120 -12.185 -2.237 -12.422 926 HB3 CYS 120 2HB CYS 120 -13.017 -2.669 -10.933 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -9.444 -7.355 10.239 2 H2 GLY 1 2H GLY 1 -8.361 -8.557 10.543 3 H3 GLY 1 3H GLY 1 -7.941 -6.987 10.810 4 HA2 GLY 1 1HA GLY 1 -8.132 -6.482 8.478 5 HA3 GLY 1 2HA GLY 1 -6.907 -7.718 8.794 6 H LYS 2 H LYS 2 -7.955 -7.449 6.308 7 HA LYS 2 HA LYS 2 -9.427 -9.930 5.779 8 HB2 LYS 2 1HB LYS 2 -11.309 -8.846 4.702 9 HB3 LYS 2 2HB LYS 2 -11.207 -8.306 6.378 10 HG2 LYS 2 1HG LYS 2 -10.129 -6.190 5.652 11 HG3 LYS 2 2HG LYS 2 -10.200 -6.720 3.970 12 HD2 LYS 2 1HD LYS 2 -12.642 -6.297 5.734 13 HD3 LYS 2 2HD LYS 2 -11.972 -5.097 4.618 14 HE2 LYS 2 1HE LYS 2 -12.295 -6.657 2.714 15 HE3 LYS 2 2HE LYS 2 -13.016 -7.846 3.810 16 HZ1 LYS 2 3HZ LYS 2 -14.714 -6.531 2.689 17 HZ2 LYS 2 1HZ LYS 2 -14.773 -6.238 4.295 18 HZ3 LYS 2 2HZ LYS 2 -14.108 -5.135 3.286 19 H THR 3 H THR 3 -9.713 -10.359 3.492 20 HA THR 3 HA THR 3 -7.540 -9.203 1.802 21 HB THR 3 HB THR 3 -8.881 -11.876 1.338 22 HG1 THR 3 1HG THR 3 -6.783 -11.201 3.114 23 HG21 THR 3 3HG2 THR 3 -6.664 -12.348 0.257 24 HG22 THR 3 1HG2 THR 3 -7.551 -11.031 -0.525 25 HG23 THR 3 2HG2 THR 3 -6.195 -10.659 0.555 26 H PHE 4 H PHE 4 -7.957 -8.366 -0.106 27 HA PHE 4 HA PHE 4 -10.784 -8.071 -1.015 28 HB2 PHE 4 1HB PHE 4 -8.278 -6.420 -1.505 29 HB3 PHE 4 2HB PHE 4 -9.792 -6.113 -2.309 30 HD1 PHE 4 1HD PHE 4 -8.202 -6.230 1.099 31 HD2 PHE 4 2HD PHE 4 -11.469 -4.737 -1.299 32 HE1 PHE 4 1HE PHE 4 -8.987 -4.860 3.002 33 HE2 PHE 4 2HE PHE 4 -12.252 -3.390 0.615 34 HZ PHE 4 HZ PHE 4 -11.026 -3.454 2.779 35 H THR 5 H THR 5 -11.215 -8.155 -3.238 36 HA THR 5 HA THR 5 -9.440 -9.878 -4.927 37 HB THR 5 HB THR 5 -11.763 -10.668 -4.642 38 HG1 THR 5 1HG THR 5 -11.932 -11.065 -6.846 39 HG21 THR 5 3HG2 THR 5 -13.605 -9.585 -5.774 40 HG22 THR 5 1HG2 THR 5 -12.938 -8.423 -4.618 41 HG23 THR 5 2HG2 THR 5 -12.566 -8.273 -6.355 42 H ARG 6 H ARG 6 -9.252 -9.106 -7.268 43 HA ARG 6 HA ARG 6 -8.048 -6.544 -7.231 44 HB2 ARG 6 1HB ARG 6 -7.525 -8.360 -8.841 45 HB3 ARG 6 2HB ARG 6 -9.031 -8.019 -9.704 46 HG2 ARG 6 1HG ARG 6 -8.265 -5.712 -10.171 47 HG3 ARG 6 2HG ARG 6 -6.796 -5.978 -9.220 48 HD2 ARG 6 1HD ARG 6 -7.562 -7.508 -11.737 49 HD3 ARG 6 2HD ARG 6 -6.463 -6.124 -11.685 50 HE ARG 6 HE ARG 6 -5.206 -7.657 -9.909 51 HH11 ARG 6 1HH1 ARG 6 -6.676 -8.897 -12.895 52 HH12 ARG 6 2HH1 ARG 6 -5.485 -10.156 -13.039 53 HH21 ARG 6 1HH2 ARG 6 -3.644 -9.121 -10.260 54 HH22 ARG 6 2HH2 ARG 6 -3.795 -10.311 -11.536 55 H CYS 7 H CYS 7 -11.272 -7.424 -8.587 56 HA CYS 7 HA CYS 7 -12.044 -4.795 -9.372 57 HB2 CYS 7 1HB CYS 7 -13.817 -7.057 -8.376 58 HB3 CYS 7 2HB CYS 7 -14.335 -5.660 -9.314 59 H GLY 8 H GLY 8 -12.333 -6.372 -6.191 60 HA2 GLY 8 1HA GLY 8 -13.842 -4.264 -4.907 61 HA3 GLY 8 2HA GLY 8 -12.899 -5.545 -4.102 62 H LEU 9 H LEU 9 -10.322 -5.043 -4.991 63 HA LEU 9 HA LEU 9 -9.426 -2.798 -3.489 64 HB2 LEU 9 1HB LEU 9 -8.136 -4.877 -3.963 65 HB3 LEU 9 2HB LEU 9 -8.070 -4.452 -5.675 66 HG LEU 9 HG LEU 9 -6.792 -2.407 -5.124 67 HD11 LEU 9 1HD1 LEU 9 -7.564 -1.886 -2.892 68 HD12 LEU 9 2HD1 LEU 9 -7.007 -3.454 -2.281 69 HD13 LEU 9 3HD1 LEU 9 -5.829 -2.209 -2.790 70 HD21 LEU 9 3HD2 LEU 9 -4.698 -3.494 -4.627 71 HD22 LEU 9 1HD2 LEU 9 -5.531 -4.875 -3.877 72 HD23 LEU 9 2HD2 LEU 9 -5.657 -4.591 -5.629 73 H VAL 10 H VAL 10 -9.674 -3.178 -7.074 74 HA VAL 10 HA VAL 10 -8.848 -0.596 -7.827 75 HB VAL 10 HB VAL 10 -10.955 -2.430 -9.030 76 HG11 VAL 10 1HG1 VAL 10 -11.678 -0.303 -9.825 77 HG12 VAL 10 2HG1 VAL 10 -10.024 0.265 -10.071 78 HG13 VAL 10 3HG1 VAL 10 -10.702 -0.982 -11.128 79 HG21 VAL 10 3HG2 VAL 10 -9.266 -2.813 -10.757 80 HG22 VAL 10 1HG2 VAL 10 -8.169 -1.649 -9.991 81 HG23 VAL 10 2HG2 VAL 10 -8.574 -3.163 -9.175 82 H HIS 11 H HIS 11 -12.107 -1.627 -6.795 83 HA HIS 11 HA HIS 11 -13.343 0.979 -6.977 84 HB2 HIS 11 1HB HIS 11 -14.080 -1.538 -5.443 85 HB3 HIS 11 2HB HIS 11 -15.074 -0.098 -5.488 86 HD2 HIS 11 2HD HIS 11 -13.658 -0.536 -8.923 87 HE1 HIS 11 1HE HIS 11 -17.400 -2.566 -8.992 88 HE2 HIS 11 2HE HIS 11 -15.524 -1.652 -10.429 89 H GLU 12 H GLU 12 -11.919 -0.757 -4.188 90 HA GLU 12 HA GLU 12 -12.573 1.142 -2.177 91 HB2 GLU 12 1HB GLU 12 -11.563 -1.338 -2.153 92 HB3 GLU 12 2HB GLU 12 -10.036 -0.496 -2.064 93 HG2 GLU 12 1HG GLU 12 -10.853 -1.156 0.130 94 HG3 GLU 12 2HG GLU 12 -10.773 0.611 0.004 95 H LEU 13 H LEU 13 -9.723 0.914 -4.309 96 HA LEU 13 HA LEU 13 -8.410 3.267 -3.202 97 HB2 LEU 13 1HB LEU 13 -8.073 1.783 -5.817 98 HB3 LEU 13 2HB LEU 13 -6.928 2.960 -5.182 99 HG LEU 13 HG LEU 13 -7.622 0.345 -3.842 100 HD11 LEU 13 1HD1 LEU 13 -6.448 0.013 -5.953 101 HD12 LEU 13 2HD1 LEU 13 -5.208 1.202 -5.477 102 HD13 LEU 13 3HD1 LEU 13 -5.354 -0.340 -4.598 103 HD21 LEU 13 3HD2 LEU 13 -5.682 0.753 -2.426 104 HD22 LEU 13 1HD2 LEU 13 -5.448 2.358 -3.183 105 HD23 LEU 13 2HD2 LEU 13 -6.894 2.017 -2.202 106 H ARG 14 H ARG 14 -10.436 2.737 -6.109 107 HA ARG 14 HA ARG 14 -10.409 5.415 -7.108 108 HB2 ARG 14 1HB ARG 14 -12.522 3.246 -7.168 109 HB3 ARG 14 2HB ARG 14 -12.829 4.838 -7.858 110 HG2 ARG 14 1HG ARG 14 -11.075 4.626 -9.473 111 HG3 ARG 14 2HG ARG 14 -10.464 3.144 -8.716 112 HD2 ARG 14 1HD ARG 14 -12.521 1.957 -9.222 113 HD3 ARG 14 2HD ARG 14 -13.243 3.426 -9.921 114 HE ARG 14 HE ARG 14 -10.860 2.945 -11.317 115 HH11 ARG 14 1HH1 ARG 14 -13.999 1.352 -10.925 116 HH12 ARG 14 2HH1 ARG 14 -13.809 0.406 -12.386 117 HH21 ARG 14 1HH2 ARG 14 -10.752 1.719 -13.272 118 HH22 ARG 14 2HH2 ARG 14 -12.049 0.617 -13.651 119 H LYS 15 H LYS 15 -12.447 3.978 -4.536 120 HA LYS 15 HA LYS 15 -13.934 6.313 -3.798 121 HB2 LYS 15 1HB LYS 15 -14.684 4.081 -3.328 122 HB3 LYS 15 2HB LYS 15 -13.151 3.649 -2.584 123 HG2 LYS 15 1HG LYS 15 -13.644 5.232 -0.714 124 HG3 LYS 15 2HG LYS 15 -15.272 5.453 -1.399 125 HD2 LYS 15 1HD LYS 15 -15.729 3.051 -1.140 126 HD3 LYS 15 2HD LYS 15 -14.036 2.747 -0.711 127 HE2 LYS 15 1HE LYS 15 -14.351 4.243 1.302 128 HE3 LYS 15 2HE LYS 15 -16.086 4.256 0.957 129 HZ1 LYS 15 3HZ LYS 15 -15.394 2.494 2.553 130 HZ2 LYS 15 1HZ LYS 15 -16.099 1.853 1.221 131 HZ3 LYS 15 2HZ LYS 15 -14.473 1.788 1.388 132 H HIS 16 H HIS 16 -10.851 4.931 -2.545 133 HA HIS 16 HA HIS 16 -10.552 7.003 -0.556 134 HB2 HIS 16 1HB HIS 16 -8.746 4.741 -1.492 135 HB3 HIS 16 2HB HIS 16 -8.353 5.832 -0.164 136 HD2 HIS 16 2HD HIS 16 -8.402 3.131 0.875 137 HE1 HIS 16 1HE HIS 16 -12.462 3.491 2.017 138 HE2 HIS 16 2HE HIS 16 -10.357 2.180 2.392 139 H GLY 17 H GLY 17 -9.855 7.211 -3.848 140 HA2 GLY 17 1HA GLY 17 -9.329 9.357 -4.752 141 HA3 GLY 17 2HA GLY 17 -8.328 9.740 -3.336 142 H PHE 18 H PHE 18 -8.225 6.808 -5.391 143 HA PHE 18 HA PHE 18 -5.457 7.490 -6.287 144 HB2 PHE 18 1HB PHE 18 -6.985 4.903 -6.099 145 HB3 PHE 18 2HB PHE 18 -5.430 5.052 -6.893 146 HD1 PHE 18 2HD PHE 18 -6.998 5.848 -3.513 147 HD2 PHE 18 1HD PHE 18 -3.545 4.472 -5.682 148 HE1 PHE 18 2HE PHE 18 -5.808 5.532 -1.402 149 HE2 PHE 18 1HE PHE 18 -2.358 4.080 -3.541 150 HZ PHE 18 HZ PHE 18 -3.478 4.607 -1.393 151 H GLU 19 H GLU 19 -5.030 7.675 -8.484 152 HA GLU 19 HA GLU 19 -7.299 8.386 -10.145 153 HB2 GLU 19 1HB GLU 19 -4.375 8.197 -10.913 154 HB3 GLU 19 2HB GLU 19 -5.643 9.042 -11.794 155 HG2 GLU 19 1HG GLU 19 -4.558 9.798 -9.056 156 HG3 GLU 19 2HG GLU 19 -4.171 10.562 -10.591 157 H GLU 20 H GLU 20 -8.101 7.421 -11.952 158 HA GLU 20 HA GLU 20 -8.065 4.660 -12.326 159 HB2 GLU 20 1HB GLU 20 -9.294 4.984 -14.282 160 HB3 GLU 20 2HB GLU 20 -9.798 6.195 -13.118 161 HG2 GLU 20 1HG GLU 20 -8.045 6.622 -15.578 162 HG3 GLU 20 2HG GLU 20 -9.712 7.111 -15.338 163 H ASN 21 H ASN 21 -5.991 7.069 -13.987 164 HA ASN 21 HA ASN 21 -4.792 5.108 -15.733 165 HB2 ASN 21 1HB ASN 21 -3.448 6.868 -16.544 166 HB3 ASN 21 2HB ASN 21 -5.034 7.557 -16.224 167 HD21 ASN 21 2HD2 ASN 21 -5.269 8.957 -14.277 168 HD22 ASN 21 1HD2 ASN 21 -3.827 9.749 -13.644 169 H LEU 22 H LEU 22 -4.214 5.819 -12.436 170 HA LEU 22 HA LEU 22 -1.491 4.572 -12.456 171 HB2 LEU 22 1HB LEU 22 -2.994 5.973 -10.214 172 HB3 LEU 22 2HB LEU 22 -1.326 5.408 -10.174 173 HG LEU 22 HG LEU 22 -2.426 7.682 -11.862 174 HD11 LEU 22 1HD1 LEU 22 -2.200 8.180 -9.456 175 HD12 LEU 22 2HD1 LEU 22 -0.505 7.643 -9.499 176 HD13 LEU 22 3HD1 LEU 22 -1.012 9.087 -10.408 177 HD21 LEU 22 3HD2 LEU 22 -0.101 8.159 -12.510 178 HD22 LEU 22 1HD2 LEU 22 0.441 6.665 -11.711 179 HD23 LEU 22 2HD2 LEU 22 -0.634 6.598 -13.131 180 H MET 23 H MET 23 -4.814 3.957 -11.638 181 HA MET 23 HA MET 23 -4.780 2.176 -9.601 182 HB2 MET 23 1HB MET 23 -6.702 3.123 -11.041 183 HB3 MET 23 2HB MET 23 -6.476 1.744 -12.081 184 HG2 MET 23 1HG MET 23 -8.302 1.368 -10.466 185 HG3 MET 23 2HG MET 23 -7.001 0.212 -10.204 186 HE1 MET 23 3HE MET 23 -8.095 3.857 -7.643 187 HE2 MET 23 1HE MET 23 -6.799 4.085 -8.842 188 HE3 MET 23 2HE MET 23 -8.421 3.600 -9.361 189 H ARG 24 H ARG 24 -4.168 1.188 -13.010 190 HA ARG 24 HA ARG 24 -3.808 -1.558 -12.611 191 HB2 ARG 24 1HB ARG 24 -2.204 0.213 -14.522 192 HB3 ARG 24 2HB ARG 24 -2.418 -1.536 -14.626 193 HG2 ARG 24 1HG ARG 24 -4.885 -1.170 -14.929 194 HG3 ARG 24 2HG ARG 24 -4.567 0.577 -14.956 195 HD2 ARG 24 1HD ARG 24 -4.752 -0.128 -17.218 196 HD3 ARG 24 2HD ARG 24 -3.044 0.233 -16.911 197 HE ARG 24 HE ARG 24 -3.652 -2.563 -16.456 198 HH11 ARG 24 1HH1 ARG 24 -3.171 -0.323 -19.156 199 HH12 ARG 24 2HH1 ARG 24 -2.652 -1.588 -20.229 200 HH21 ARG 24 1HH2 ARG 24 -2.877 -4.134 -17.871 201 HH22 ARG 24 2HH2 ARG 24 -2.522 -3.712 -19.515 202 H ASN 25 H ASN 25 -1.314 1.018 -12.308 203 HA ASN 25 HA ASN 25 0.855 -0.762 -11.564 204 HB2 ASN 25 1HB ASN 25 0.428 2.240 -11.312 205 HB3 ASN 25 2HB ASN 25 1.845 1.426 -10.661 206 HD21 ASN 25 2HD2 ASN 25 0.384 2.641 -13.599 207 HD22 ASN 25 1HD2 ASN 25 1.703 2.147 -14.642 208 H TRP 26 H TRP 26 -1.467 1.248 -9.649 209 HA TRP 26 HA TRP 26 -0.356 0.613 -7.114 210 HB2 TRP 26 1HB TRP 26 -3.081 1.572 -8.028 211 HB3 TRP 26 2HB TRP 26 -2.753 1.213 -6.343 212 HD1 TRP 26 HD TRP 26 -2.664 4.041 -8.610 213 HE1 TRP 26 1HE TRP 26 -1.421 6.025 -7.564 214 HE3 TRP 26 3HE TRP 26 -0.212 1.570 -4.853 215 HZ2 TRP 26 2HZ TRP 26 0.210 6.519 -5.228 216 HZ3 TRP 26 3HZ TRP 26 1.164 2.824 -3.222 217 HH2 TRP 26 HH TRP 26 1.363 5.298 -3.381 218 H VAL 27 H VAL 27 -3.141 -1.019 -8.793 219 HA VAL 27 HA VAL 27 -3.368 -2.921 -6.643 220 HB VAL 27 HB VAL 27 -4.840 -4.241 -7.890 221 HG11 VAL 27 1HG1 VAL 27 -5.556 -1.941 -7.089 222 HG12 VAL 27 2HG1 VAL 27 -5.454 -1.409 -8.780 223 HG13 VAL 27 3HG1 VAL 27 -6.567 -2.704 -8.320 224 HG21 VAL 27 3HG2 VAL 27 -5.375 -3.874 -10.288 225 HG22 VAL 27 1HG2 VAL 27 -3.971 -2.790 -10.413 226 HG23 VAL 27 2HG2 VAL 27 -3.748 -4.510 -10.017 227 H CYS 28 H CYS 28 -1.417 -3.026 -9.641 228 HA CYS 28 HA CYS 28 -0.570 -5.757 -9.277 229 HB2 CYS 28 1HB CYS 28 -0.610 -4.323 -11.359 230 HB3 CYS 28 2HB CYS 28 0.864 -3.553 -10.798 231 H LEU 29 H LEU 29 0.756 -2.677 -8.132 232 HA LEU 29 HA LEU 29 3.111 -3.684 -6.815 233 HB2 LEU 29 1HB LEU 29 2.738 -1.366 -7.440 234 HB3 LEU 29 2HB LEU 29 1.334 -1.228 -6.410 235 HG LEU 29 HG LEU 29 4.153 -1.662 -5.341 236 HD11 LEU 29 1HD1 LEU 29 3.957 0.455 -6.639 237 HD12 LEU 29 2HD1 LEU 29 2.525 0.905 -5.690 238 HD13 LEU 29 3HD1 LEU 29 4.112 0.783 -4.912 239 HD21 LEU 29 3HD2 LEU 29 3.150 -0.638 -3.253 240 HD22 LEU 29 1HD2 LEU 29 1.547 -0.792 -3.995 241 HD23 LEU 29 2HD2 LEU 29 2.520 -2.234 -3.617 242 H VAL 30 H VAL 30 -0.157 -2.891 -5.540 243 HA VAL 30 HA VAL 30 0.276 -3.848 -2.920 244 HB VAL 30 HB VAL 30 -2.224 -3.483 -4.582 245 HG11 VAL 30 1HG1 VAL 30 -2.871 -5.227 -3.012 246 HG12 VAL 30 2HG1 VAL 30 -2.129 -4.332 -1.671 247 HG13 VAL 30 3HG1 VAL 30 -3.564 -3.692 -2.504 248 HG21 VAL 30 3HG2 VAL 30 -2.563 -1.547 -3.115 249 HG22 VAL 30 1HG2 VAL 30 -1.154 -2.005 -2.131 250 HG23 VAL 30 2HG2 VAL 30 -0.934 -1.466 -3.802 251 H GLU 31 H GLU 31 -0.984 -5.675 -5.755 252 HA GLU 31 HA GLU 31 -1.427 -8.139 -4.404 253 HB2 GLU 31 1HB GLU 31 -0.750 -7.397 -7.277 254 HB3 GLU 31 2HB GLU 31 -0.944 -9.090 -6.797 255 HG2 GLU 31 1HG GLU 31 -3.183 -8.771 -6.076 256 HG3 GLU 31 2HG GLU 31 -3.079 -7.014 -6.210 257 H HIS 32 H HIS 32 1.658 -6.767 -5.640 258 HA HIS 32 HA HIS 32 3.091 -9.267 -5.089 259 HB2 HIS 32 1HB HIS 32 3.504 -7.489 -6.940 260 HB3 HIS 32 2HB HIS 32 4.368 -6.595 -5.695 261 HD2 HIS 32 2HD HIS 32 4.442 -9.853 -7.734 262 HE1 HIS 32 1HE HIS 32 8.285 -9.504 -5.934 263 HE2 HIS 32 2HE HIS 32 6.888 -10.831 -7.601 264 H GLU 33 H GLU 33 2.533 -6.204 -3.426 265 HA GLU 33 HA GLU 33 4.596 -6.661 -1.402 266 HB2 GLU 33 1HB GLU 33 2.388 -4.597 -1.693 267 HB3 GLU 33 2HB GLU 33 3.456 -4.650 -0.302 268 HG2 GLU 33 1HG GLU 33 4.348 -4.274 -3.191 269 HG3 GLU 33 2HG GLU 33 4.181 -3.003 -1.984 270 H SER 34 H SER 34 0.945 -6.547 -1.164 271 HA SER 34 HA SER 34 1.201 -8.081 1.402 272 HB2 SER 34 1HB SER 34 -0.869 -7.030 2.045 273 HB3 SER 34 2HB SER 34 0.285 -5.781 1.561 274 HG SER 34 HG SER 34 -1.043 -5.208 0.047 275 H SER 35 H SER 35 0.185 -8.487 -1.798 276 HA SER 35 HA SER 35 -1.148 -9.939 -2.914 277 HB2 SER 35 1HB SER 35 -1.808 -11.496 -0.432 278 HB3 SER 35 2HB SER 35 -1.767 -12.032 -2.108 279 HG SER 35 HG SER 35 0.551 -11.818 -2.031 280 H ARG 36 H ARG 36 -2.230 -7.520 -1.449 281 HA ARG 36 HA ARG 36 -4.180 -6.427 -1.290 282 HB2 ARG 36 1HB ARG 36 -5.811 -8.776 -2.270 283 HB3 ARG 36 2HB ARG 36 -6.159 -7.054 -2.369 284 HG2 ARG 36 1HG ARG 36 -4.172 -6.879 -3.979 285 HG3 ARG 36 2HG ARG 36 -4.143 -8.632 -4.010 286 HD2 ARG 36 1HD ARG 36 -6.622 -7.008 -4.711 287 HD3 ARG 36 2HD ARG 36 -5.460 -7.580 -5.898 288 HE ARG 36 HE ARG 36 -7.068 -9.331 -4.072 289 HH11 ARG 36 1HH1 ARG 36 -5.565 -8.984 -7.309 290 HH12 ARG 36 2HH1 ARG 36 -6.005 -10.615 -7.723 291 HH21 ARG 36 1HH2 ARG 36 -7.514 -11.387 -4.702 292 HH22 ARG 36 2HH2 ARG 36 -7.130 -11.927 -6.307 293 H ASP 37 H ASP 37 -3.118 -7.998 0.888 294 HA ASP 37 HA ASP 37 -5.587 -8.622 2.487 295 HB2 ASP 37 1HB ASP 37 -4.357 -10.675 1.904 296 HB3 ASP 37 2HB ASP 37 -2.877 -9.988 2.563 297 H THR 38 H THR 38 -5.907 -7.194 4.097 298 HA THR 38 HA THR 38 -3.845 -5.294 4.809 299 HB THR 38 HB THR 38 -5.304 -4.487 6.585 300 HG1 THR 38 1HG THR 38 -7.262 -5.353 6.916 301 HG21 THR 38 3HG2 THR 38 -7.214 -3.759 5.229 302 HG22 THR 38 1HG2 THR 38 -5.691 -3.625 4.342 303 HG23 THR 38 2HG2 THR 38 -6.816 -4.966 3.991 304 H SER 39 H SER 39 -4.765 -8.406 6.153 305 HA SER 39 HA SER 39 -3.476 -8.075 8.710 306 HB2 SER 39 1HB SER 39 -4.299 -10.572 7.185 307 HB3 SER 39 2HB SER 39 -3.820 -10.513 8.883 308 HG SER 39 HG SER 39 -6.098 -10.482 8.626 309 H LYS 40 H LYS 40 -1.989 -8.343 5.684 310 HA LYS 40 HA LYS 40 0.018 -10.300 6.317 311 HB2 LYS 40 1HB LYS 40 -0.912 -9.624 4.017 312 HB3 LYS 40 2HB LYS 40 0.079 -8.185 4.131 313 HG2 LYS 40 1HG LYS 40 1.265 -9.789 2.804 314 HG3 LYS 40 2HG LYS 40 2.130 -9.631 4.306 315 HD2 LYS 40 1HD LYS 40 2.016 -11.969 3.539 316 HD3 LYS 40 2HD LYS 40 1.238 -11.775 5.098 317 HE2 LYS 40 1HE LYS 40 -0.084 -13.265 3.741 318 HE3 LYS 40 2HE LYS 40 -1.001 -11.785 4.012 319 HZ1 LYS 40 3HZ LYS 40 -1.085 -12.576 1.697 320 HZ2 LYS 40 1HZ LYS 40 -0.455 -11.074 1.768 321 HZ3 LYS 40 2HZ LYS 40 0.523 -12.370 1.521 322 H THR 41 H THR 41 2.175 -10.091 6.759 323 HA THR 41 HA THR 41 3.459 -7.487 7.220 324 HB THR 41 HB THR 41 4.401 -8.292 9.413 325 HG1 THR 41 1HG THR 41 3.673 -10.501 9.100 326 HG21 THR 41 3HG2 THR 41 2.628 -7.621 10.850 327 HG22 THR 41 1HG2 THR 41 2.660 -6.576 9.438 328 HG23 THR 41 2HG2 THR 41 1.412 -7.844 9.559 329 H ASN 42 H ASN 42 5.678 -7.543 7.390 330 HA ASN 42 HA ASN 42 7.108 -10.077 6.870 331 HB2 ASN 42 1HB ASN 42 6.990 -7.692 4.977 332 HB3 ASN 42 2HB ASN 42 8.366 -8.778 5.000 333 HD21 ASN 42 2HD2 ASN 42 5.068 -8.405 3.932 334 HD22 ASN 42 1HD2 ASN 42 4.996 -9.946 3.082 335 H THR 43 H THR 43 9.024 -10.152 7.930 336 HA THR 43 HA THR 43 9.946 -7.801 9.478 337 HB THR 43 HB THR 43 11.097 -10.615 9.473 338 HG1 THR 43 1HG THR 43 9.642 -11.118 11.011 339 HG21 THR 43 3HG2 THR 43 11.643 -10.013 11.847 340 HG22 THR 43 1HG2 THR 43 12.468 -8.973 10.685 341 HG23 THR 43 2HG2 THR 43 11.036 -8.369 11.550 342 H ASN 44 H ASN 44 11.952 -6.854 9.273 343 HA ASN 44 HA ASN 44 13.505 -7.423 6.782 344 HB2 ASN 44 1HB ASN 44 13.381 -4.912 8.504 345 HB3 ASN 44 2HB ASN 44 14.317 -5.109 7.027 346 HD21 ASN 44 2HD2 ASN 44 11.052 -4.871 8.336 347 HD22 ASN 44 1HD2 ASN 44 10.281 -4.398 6.806 348 H ARG 45 H ARG 45 15.817 -7.255 6.872 349 HA ARG 45 HA ARG 45 17.096 -8.675 8.988 350 HB2 ARG 45 1HB ARG 45 18.369 -6.882 6.876 351 HB3 ARG 45 2HB ARG 45 19.199 -8.098 7.858 352 HG2 ARG 45 1HG ARG 45 17.712 -9.861 6.866 353 HG3 ARG 45 2HG ARG 45 17.010 -8.622 5.806 354 HD2 ARG 45 1HD ARG 45 19.250 -8.167 4.848 355 HD3 ARG 45 2HD ARG 45 19.961 -9.408 5.879 356 HE ARG 45 HE ARG 45 18.345 -9.773 3.457 357 HH11 ARG 45 1HH1 ARG 45 19.578 -11.466 6.313 358 HH12 ARG 45 2HH1 ARG 45 19.402 -13.028 5.570 359 HH21 ARG 45 1HH2 ARG 45 18.139 -11.812 2.569 360 HH22 ARG 45 2HH2 ARG 45 18.595 -13.217 3.483 361 H ASN 46 H ASN 46 16.540 -5.273 8.591 362 HA ASN 46 HA ASN 46 18.342 -4.235 10.573 363 HB2 ASN 46 1HB ASN 46 17.347 -2.903 8.770 364 HB3 ASN 46 2HB ASN 46 15.727 -3.200 9.397 365 HD21 ASN 46 2HD2 ASN 46 14.892 -1.656 10.763 366 HD22 ASN 46 1HD2 ASN 46 15.874 -0.481 11.633 367 H GLY 47 H GLY 47 15.382 -6.031 10.975 368 HA2 GLY 47 1HA GLY 47 14.483 -6.800 13.000 369 HA3 GLY 47 2HA GLY 47 15.282 -5.484 13.896 370 H SER 48 H SER 48 13.872 -3.979 11.302 371 HA SER 48 HA SER 48 11.385 -3.229 12.716 372 HB2 SER 48 1HB SER 48 11.176 -1.669 10.752 373 HB3 SER 48 2HB SER 48 12.578 -1.390 11.789 374 HG SER 48 HG SER 48 12.985 -1.382 9.437 375 H LYS 49 H LYS 49 9.336 -3.274 11.523 376 HA LYS 49 HA LYS 49 9.096 -5.600 9.655 377 HB2 LYS 49 1HB LYS 49 8.468 -5.922 12.219 378 HB3 LYS 49 2HB LYS 49 7.011 -5.067 11.743 379 HG2 LYS 49 1HG LYS 49 6.645 -6.855 9.973 380 HG3 LYS 49 2HG LYS 49 8.020 -7.717 10.696 381 HD2 LYS 49 1HD LYS 49 6.729 -7.501 12.948 382 HD3 LYS 49 2HD LYS 49 5.361 -6.975 11.970 383 HE2 LYS 49 1HE LYS 49 4.982 -9.267 12.309 384 HE3 LYS 49 2HE LYS 49 5.606 -9.173 10.660 385 HZ1 LYS 49 3HZ LYS 49 6.656 -10.951 11.933 386 HZ2 LYS 49 1HZ LYS 49 7.783 -9.848 11.510 387 HZ3 LYS 49 2HZ LYS 49 7.213 -9.897 13.048 388 H ASP 50 H ASP 50 7.373 -5.598 8.296 389 HA ASP 50 HA ASP 50 6.303 -2.947 7.484 390 HB2 ASP 50 1HB ASP 50 6.424 -5.591 5.984 391 HB3 ASP 50 2HB ASP 50 5.961 -4.030 5.336 392 H TYR 51 H TYR 51 4.104 -2.625 7.289 393 HA TYR 51 HA TYR 51 2.212 -4.800 8.114 394 HB2 TYR 51 1HB TYR 51 2.417 -1.933 9.111 395 HB3 TYR 51 2HB TYR 51 1.144 -3.061 9.543 396 HD1 TYR 51 2HD TYR 51 4.727 -2.219 9.952 397 HD2 TYR 51 1HD TYR 51 1.491 -4.749 11.237 398 HE1 TYR 51 2HE TYR 51 6.035 -2.871 11.949 399 HE2 TYR 51 1HE TYR 51 2.788 -5.402 13.255 400 HH TYR 51 HH TYR 51 4.744 -5.119 14.443 401 H GLY 52 H GLY 52 0.113 -4.719 7.374 402 HA2 GLY 52 1HA GLY 52 -1.818 -3.875 6.399 403 HA3 GLY 52 2HA GLY 52 -1.018 -2.306 6.224 404 H LEU 53 H LEU 53 -2.520 -2.582 4.273 405 HA LEU 53 HA LEU 53 -1.877 -4.486 2.331 406 HB2 LEU 53 1HB LEU 53 -3.941 -2.664 2.729 407 HB3 LEU 53 2HB LEU 53 -3.074 -1.849 1.440 408 HG LEU 53 HG LEU 53 -3.150 -4.294 0.311 409 HD11 LEU 53 1HD1 LEU 53 -4.167 -5.334 2.287 410 HD12 LEU 53 2HD1 LEU 53 -5.579 -4.260 2.135 411 HD13 LEU 53 3HD1 LEU 53 -5.250 -5.440 0.877 412 HD21 LEU 53 3HD2 LEU 53 -5.222 -3.737 -0.789 413 HD22 LEU 53 1HD2 LEU 53 -5.562 -2.473 0.430 414 HD23 LEU 53 2HD2 LEU 53 -4.174 -2.301 -0.672 415 H PHE 54 H PHE 54 -0.275 -1.490 2.792 416 HA PHE 54 HA PHE 54 1.178 -1.793 0.196 417 HB2 PHE 54 1HB PHE 54 0.958 0.596 2.056 418 HB3 PHE 54 2HB PHE 54 1.828 0.558 0.534 419 HD1 PHE 54 2HD PHE 54 -1.561 0.407 2.058 420 HD2 PHE 54 1HD PHE 54 0.696 0.845 -1.583 421 HE1 PHE 54 2HE PHE 54 -3.620 1.080 0.878 422 HE2 PHE 54 1HE PHE 54 -1.368 1.568 -2.757 423 HZ PHE 54 HZ PHE 54 -3.529 1.680 -1.542 424 H GLN 55 H GLN 55 1.538 -3.069 3.121 425 HA GLN 55 HA GLN 55 3.202 -3.678 4.504 426 HB2 GLN 55 1HB GLN 55 4.630 -3.775 1.816 427 HB3 GLN 55 2HB GLN 55 5.310 -4.463 3.281 428 HG2 GLN 55 1HG GLN 55 2.693 -5.320 1.994 429 HG3 GLN 55 2HG GLN 55 4.239 -6.173 1.961 430 HE21 GLN 55 2HE2 GLN 55 1.343 -5.554 3.907 431 HE22 GLN 55 1HE2 GLN 55 1.858 -6.517 5.263 432 H ILE 56 H ILE 56 2.921 -1.353 5.238 433 HA ILE 56 HA ILE 56 5.121 0.504 4.654 434 HB ILE 56 HB ILE 56 2.793 0.882 6.588 435 HG12 ILE 56 1HG1 ILE 56 2.983 1.451 3.582 436 HG13 ILE 56 2HG1 ILE 56 1.869 0.297 4.343 437 HG21 ILE 56 1HG2 ILE 56 4.700 2.438 6.761 438 HG22 ILE 56 2HG2 ILE 56 4.480 2.884 5.052 439 HG23 ILE 56 3HG2 ILE 56 3.217 3.233 6.260 440 HD11 ILE 56 3HD1 ILE 56 0.528 2.123 3.786 441 HD12 ILE 56 1HD1 ILE 56 0.812 2.317 5.527 442 HD13 ILE 56 2HD1 ILE 56 1.720 3.296 4.342 443 H ASN 57 H ASN 57 6.810 0.985 6.006 444 HA ASN 57 HA ASN 57 7.269 -0.986 8.118 445 HB2 ASN 57 1HB ASN 57 8.852 -0.596 6.254 446 HB3 ASN 57 2HB ASN 57 9.147 1.035 6.881 447 HD21 ASN 57 2HD2 ASN 57 9.757 -2.393 7.332 448 HD22 ASN 57 1HD2 ASN 57 10.957 -2.187 8.611 449 H ASP 58 H ASP 58 7.612 -0.646 10.201 450 HA ASP 58 HA ASP 58 6.515 1.581 11.486 451 HB2 ASP 58 1HB ASP 58 6.965 0.557 13.499 452 HB3 ASP 58 2HB ASP 58 6.664 -0.745 12.360 453 H ARG 59 H ARG 59 9.647 1.490 10.222 454 HA ARG 59 HA ARG 59 10.941 3.175 12.234 455 HB2 ARG 59 1HB ARG 59 11.957 1.260 10.957 456 HB3 ARG 59 2HB ARG 59 11.915 2.264 9.501 457 HG2 ARG 59 1HG ARG 59 13.503 3.842 10.488 458 HG3 ARG 59 2HG ARG 59 13.391 3.010 12.050 459 HD2 ARG 59 1HD ARG 59 14.189 0.902 10.812 460 HD3 ARG 59 2HD ARG 59 14.538 1.952 9.437 461 HE ARG 59 HE ARG 59 15.697 2.543 12.122 462 HH11 ARG 59 1HH1 ARG 59 16.365 1.567 8.781 463 HH12 ARG 59 2HH1 ARG 59 18.085 1.662 9.008 464 HH21 ARG 59 1HH2 ARG 59 17.921 2.719 12.311 465 HH22 ARG 59 2HH2 ARG 59 18.947 2.326 10.966 466 H TYR 60 H TYR 60 9.040 3.807 9.419 467 HA TYR 60 HA TYR 60 10.229 6.561 9.119 468 HB2 TYR 60 1HB TYR 60 9.396 4.628 6.934 469 HB3 TYR 60 2HB TYR 60 10.043 6.236 6.689 470 HD1 TYR 60 2HD TYR 60 12.431 6.555 8.138 471 HD2 TYR 60 1HD TYR 60 10.865 2.869 6.539 472 HE1 TYR 60 2HE TYR 60 14.728 5.622 8.050 473 HE2 TYR 60 1HE TYR 60 13.162 1.923 6.468 474 HH TYR 60 HH TYR 60 16.039 3.829 7.464 475 H TRP 61 H TRP 61 7.307 4.637 8.246 476 HA TRP 61 HA TRP 61 5.865 7.234 7.818 477 HB2 TRP 61 1HB TRP 61 5.307 4.536 6.656 478 HB3 TRP 61 2HB TRP 61 4.633 6.059 6.125 479 HD1 TRP 61 HD TRP 61 7.058 3.576 5.213 480 HE1 TRP 61 1HE TRP 61 8.729 4.405 3.453 481 HE3 TRP 61 3HE TRP 61 6.072 8.600 5.462 482 HZ2 TRP 61 2HZ TRP 61 9.398 6.897 2.167 483 HZ3 TRP 61 3HZ TRP 61 7.109 10.153 3.838 484 HH2 TRP 61 HH TRP 61 8.794 9.323 2.204 485 H CYS 62 H CYS 62 5.317 3.900 9.115 486 HA CYS 62 HA CYS 62 3.137 5.042 10.815 487 HB2 CYS 62 1HB CYS 62 2.457 2.636 11.119 488 HB3 CYS 62 2HB CYS 62 2.165 3.318 9.534 489 H SER 63 H SER 63 2.973 4.082 12.995 490 HA SER 63 HA SER 63 5.662 3.581 14.223 491 HB2 SER 63 1HB SER 63 4.198 5.743 14.646 492 HB3 SER 63 2HB SER 63 3.299 4.678 15.725 493 HG SER 63 HG SER 63 4.971 5.555 16.934 494 H LYS 64 H LYS 64 5.940 1.921 15.604 495 HA LYS 64 HA LYS 64 3.911 -0.204 15.587 496 HB2 LYS 64 1HB LYS 64 5.694 -1.602 16.550 497 HB3 LYS 64 2HB LYS 64 6.094 -0.897 14.997 498 HG2 LYS 64 1HG LYS 64 7.671 0.578 15.895 499 HG3 LYS 64 2HG LYS 64 6.916 0.605 17.492 500 HD2 LYS 64 1HD LYS 64 7.672 -1.582 18.036 501 HD3 LYS 64 2HD LYS 64 8.323 -1.870 16.402 502 HE2 LYS 64 1HE LYS 64 9.170 0.573 17.943 503 HE3 LYS 64 2HE LYS 64 9.855 -0.985 18.441 504 HZ1 LYS 64 3HZ LYS 64 11.203 0.235 16.736 505 HZ2 LYS 64 1HZ LYS 64 10.787 -1.279 16.278 506 HZ3 LYS 64 2HZ LYS 64 10.001 -0.008 15.636 507 H GLY 65 H GLY 65 4.611 2.218 17.838 508 HA2 GLY 65 1HA GLY 65 4.085 0.705 20.295 509 HA3 GLY 65 2HA GLY 65 4.204 2.462 20.126 510 H ALA 66 H ALA 66 2.348 2.139 21.739 511 HA ALA 66 HA ALA 66 -0.223 1.250 20.690 512 HB1 ALA 66 1HB ALA 66 0.502 0.859 23.024 513 HB2 ALA 66 2HB ALA 66 0.506 2.617 23.317 514 HB3 ALA 66 3HB ALA 66 -1.014 1.774 22.950 515 H SER 67 H SER 67 1.309 4.006 19.894 516 HA SER 67 HA SER 67 -1.178 5.541 19.439 517 HB2 SER 67 1HB SER 67 -0.257 6.225 21.656 518 HB3 SER 67 2HB SER 67 1.257 6.686 20.860 519 HG SER 67 HG SER 67 -0.187 8.473 21.164 520 HA PRO 68 HA PRO 68 1.075 6.279 15.599 521 HB2 PRO 68 1HB PRO 68 -0.291 8.427 14.579 522 HB3 PRO 68 2HB PRO 68 -0.989 6.778 14.657 523 HG2 PRO 68 1HG PRO 68 -1.378 9.048 16.628 524 HG3 PRO 68 2HG PRO 68 -2.635 8.036 15.839 525 HD2 PRO 68 1HD PRO 68 -1.743 7.464 18.319 526 HD3 PRO 68 2HD PRO 68 -2.071 6.150 17.154 527 H GLY 69 H GLY 69 2.471 7.947 14.554 528 HA2 GLY 69 1HA GLY 69 3.201 10.440 15.526 529 HA3 GLY 69 2HA GLY 69 4.012 9.344 16.627 530 H LYS 70 H LYS 70 3.590 10.113 13.217 531 HA LYS 70 HA LYS 70 6.426 9.914 12.543 532 HB2 LYS 70 1HB LYS 70 4.339 8.024 11.362 533 HB3 LYS 70 2HB LYS 70 5.892 8.310 10.593 534 HG2 LYS 70 1HG LYS 70 5.471 6.976 13.259 535 HG3 LYS 70 2HG LYS 70 5.877 6.241 11.716 536 HD2 LYS 70 1HD LYS 70 8.027 7.287 11.632 537 HD3 LYS 70 2HD LYS 70 7.726 8.193 13.121 538 HE2 LYS 70 1HE LYS 70 7.704 5.145 12.974 539 HE3 LYS 70 2HE LYS 70 9.159 6.087 13.316 540 HZ1 LYS 70 3HZ LYS 70 8.164 5.434 15.377 541 HZ2 LYS 70 1HZ LYS 70 7.979 7.054 15.244 542 HZ3 LYS 70 2HZ LYS 70 6.708 6.058 14.998 543 H ASP 71 H ASP 71 6.508 10.152 9.986 544 HA ASP 71 HA ASP 71 5.562 12.704 9.225 545 HB2 ASP 71 1HB ASP 71 7.516 11.542 8.277 546 HB3 ASP 71 2HB ASP 71 6.460 10.337 7.535 547 H CYS 72 H CYS 72 3.967 9.563 8.850 548 HA CYS 72 HA CYS 72 1.697 10.831 7.367 549 HB2 CYS 72 1HB CYS 72 2.296 7.903 7.793 550 HB3 CYS 72 2HB CYS 72 1.056 8.597 6.763 551 H ASN 73 H ASN 73 2.434 10.360 10.555 552 HA ASN 73 HA ASN 73 1.263 10.260 12.470 553 HB2 ASN 73 1HB ASN 73 0.653 12.413 11.317 554 HB3 ASN 73 2HB ASN 73 -0.864 11.668 10.809 555 HD21 ASN 73 2HD2 ASN 73 1.117 12.331 13.779 556 HD22 ASN 73 1HD2 ASN 73 -0.276 12.598 14.810 557 H VAL 74 H VAL 74 1.188 7.799 11.610 558 HA VAL 74 HA VAL 74 -1.476 6.746 12.312 559 HB VAL 74 HB VAL 74 -1.461 7.150 9.862 560 HG11 VAL 74 1HG1 VAL 74 0.932 6.721 9.387 561 HG12 VAL 74 2HG1 VAL 74 0.687 4.995 9.734 562 HG13 VAL 74 3HG1 VAL 74 -0.137 5.750 8.361 563 HG21 VAL 74 3HG2 VAL 74 -2.418 5.050 9.224 564 HG22 VAL 74 1HG2 VAL 74 -1.600 4.199 10.546 565 HG23 VAL 74 2HG2 VAL 74 -2.870 5.394 10.900 566 H LYS 75 H LYS 75 -1.521 4.587 12.895 567 HA LYS 75 HA LYS 75 0.999 3.579 14.102 568 HB2 LYS 75 1HB LYS 75 -1.097 4.337 15.359 569 HB3 LYS 75 2HB LYS 75 -1.889 2.886 14.733 570 HG2 LYS 75 1HG LYS 75 -0.167 1.494 15.922 571 HG3 LYS 75 2HG LYS 75 0.606 2.992 16.483 572 HD2 LYS 75 1HD LYS 75 -0.772 2.248 18.287 573 HD3 LYS 75 2HD LYS 75 -1.593 3.635 17.572 574 HE2 LYS 75 1HE LYS 75 -2.957 1.860 16.227 575 HE3 LYS 75 2HE LYS 75 -2.250 0.675 17.343 576 HZ1 LYS 75 3HZ LYS 75 -4.401 1.439 18.117 577 HZ2 LYS 75 1HZ LYS 75 -3.260 1.941 19.178 578 HZ3 LYS 75 2HZ LYS 75 -3.930 2.995 18.116 579 H CYS 76 H CYS 76 1.810 1.565 13.593 580 HA CYS 76 HA CYS 76 1.271 0.160 11.237 581 HB2 CYS 76 1HB CYS 76 2.384 -0.908 13.864 582 HB3 CYS 76 2HB CYS 76 2.568 -1.661 12.287 583 H SER 77 H SER 77 -0.192 -0.481 14.452 584 HA SER 77 HA SER 77 -1.526 -2.920 13.613 585 HB2 SER 77 1HB SER 77 -0.865 -2.279 15.963 586 HB3 SER 77 2HB SER 77 -2.230 -1.146 15.969 587 HG SER 77 HG SER 77 -2.753 -3.228 16.869 588 H ASP 78 H ASP 78 -2.452 0.501 13.427 589 HA ASP 78 HA ASP 78 -5.260 0.001 12.789 590 HB2 ASP 78 1HB ASP 78 -3.442 2.363 13.006 591 HB3 ASP 78 2HB ASP 78 -4.695 2.495 11.808 592 H LEU 79 H LEU 79 -2.331 -0.449 11.062 593 HA LEU 79 HA LEU 79 -3.603 -0.132 8.410 594 HB2 LEU 79 1HB LEU 79 -0.933 -1.443 8.972 595 HB3 LEU 79 2HB LEU 79 -1.539 -0.724 7.485 596 HG LEU 79 HG LEU 79 -0.612 0.754 9.964 597 HD11 LEU 79 1HD1 LEU 79 1.173 -0.102 8.544 598 HD12 LEU 79 2HD1 LEU 79 0.397 0.571 7.098 599 HD13 LEU 79 3HD1 LEU 79 1.058 1.654 8.337 600 HD21 LEU 79 3HD2 LEU 79 -0.993 2.838 8.622 601 HD22 LEU 79 1HD2 LEU 79 -1.873 1.858 7.436 602 HD23 LEU 79 2HD2 LEU 79 -2.497 2.031 9.089 603 H LEU 80 H LEU 80 -3.483 -2.537 10.841 604 HA LEU 80 HA LEU 80 -3.871 -4.810 8.991 605 HB2 LEU 80 1HB LEU 80 -3.743 -4.789 12.020 606 HB3 LEU 80 2HB LEU 80 -3.675 -6.198 10.970 607 HG LEU 80 HG LEU 80 -1.557 -4.030 11.178 608 HD11 LEU 80 1HD1 LEU 80 -1.708 -5.518 13.148 609 HD12 LEU 80 2HD1 LEU 80 -1.580 -6.941 12.091 610 HD13 LEU 80 3HD1 LEU 80 -0.216 -5.819 12.248 611 HD21 LEU 80 3HD2 LEU 80 -0.150 -5.555 9.784 612 HD22 LEU 80 1HD2 LEU 80 -1.578 -6.566 9.493 613 HD23 LEU 80 2HD2 LEU 80 -1.525 -4.885 8.909 614 H THR 81 H THR 81 -5.900 -2.518 9.848 615 HA THR 81 HA THR 81 -8.118 -4.044 11.009 616 HB THR 81 HB THR 81 -7.438 -1.764 11.721 617 HG1 THR 81 1HG THR 81 -9.565 -1.219 12.082 618 HG21 THR 81 3HG2 THR 81 -7.955 0.166 10.527 619 HG22 THR 81 1HG2 THR 81 -7.247 -0.862 9.280 620 HG23 THR 81 2HG2 THR 81 -9.009 -0.681 9.364 621 H ASP 82 H ASP 82 -10.320 -3.076 9.955 622 HA ASP 82 HA ASP 82 -10.482 -4.733 7.504 623 HB2 ASP 82 1HB ASP 82 -12.681 -3.720 9.338 624 HB3 ASP 82 2HB ASP 82 -12.858 -4.921 8.057 625 H ASP 83 H ASP 83 -9.851 -1.687 7.712 626 HA ASP 83 HA ASP 83 -11.054 -1.124 5.091 627 HB2 ASP 83 1HB ASP 83 -12.479 0.086 6.794 628 HB3 ASP 83 2HB ASP 83 -11.058 1.036 7.232 629 H ILE 84 H ILE 84 -9.521 -0.520 3.752 630 HA ILE 84 HA ILE 84 -6.772 -0.585 4.608 631 HB ILE 84 HB ILE 84 -6.220 -0.577 2.297 632 HG12 ILE 84 1HG1 ILE 84 -9.037 0.424 1.685 633 HG13 ILE 84 2HG1 ILE 84 -7.563 1.391 1.643 634 HG21 ILE 84 1HG2 ILE 84 -7.510 -2.588 3.190 635 HG22 ILE 84 2HG2 ILE 84 -8.948 -1.943 2.400 636 HG23 ILE 84 3HG2 ILE 84 -7.549 -2.418 1.435 637 HD11 ILE 84 3HD1 ILE 84 -8.197 0.817 -0.584 638 HD12 ILE 84 1HD1 ILE 84 -6.652 0.033 -0.168 639 HD13 ILE 84 2HD1 ILE 84 -8.164 -0.916 -0.215 640 H THR 85 H THR 85 -8.918 2.060 4.494 641 HA THR 85 HA THR 85 -7.433 4.068 3.265 642 HB THR 85 HB THR 85 -9.807 4.178 3.847 643 HG1 THR 85 1HG THR 85 -9.727 6.405 4.187 644 HG21 THR 85 3HG2 THR 85 -10.569 4.981 5.963 645 HG22 THR 85 1HG2 THR 85 -9.618 3.519 6.261 646 HG23 THR 85 2HG2 THR 85 -8.910 5.125 6.586 647 H LYS 86 H LYS 86 -6.995 3.008 6.639 648 HA LYS 86 HA LYS 86 -5.264 5.189 7.389 649 HB2 LYS 86 1HB LYS 86 -5.451 2.315 8.397 650 HB3 LYS 86 2HB LYS 86 -4.357 3.517 9.061 651 HG2 LYS 86 1HG LYS 86 -6.093 3.643 10.540 652 HG3 LYS 86 2HG LYS 86 -6.418 5.004 9.479 653 HD2 LYS 86 1HD LYS 86 -8.137 3.690 8.309 654 HD3 LYS 86 2HD LYS 86 -7.756 2.259 9.269 655 HE2 LYS 86 1HE LYS 86 -8.655 4.907 10.496 656 HE3 LYS 86 2HE LYS 86 -9.811 3.702 9.929 657 HZ1 LYS 86 3HZ LYS 86 -9.356 3.473 12.299 658 HZ2 LYS 86 1HZ LYS 86 -8.907 2.123 11.505 659 HZ3 LYS 86 2HZ LYS 86 -7.775 3.171 12.044 660 H ALA 87 H ALA 87 -4.654 2.272 5.505 661 HA ALA 87 HA ALA 87 -1.730 2.783 5.392 662 HB1 ALA 87 1HB ALA 87 -2.732 0.448 5.624 663 HB2 ALA 87 2HB ALA 87 -3.378 0.634 3.979 664 HB3 ALA 87 3HB ALA 87 -1.620 0.667 4.268 665 H ALA 88 H ALA 88 -4.617 2.910 3.270 666 HA ALA 88 HA ALA 88 -3.203 3.582 0.906 667 HB1 ALA 88 1HB ALA 88 -5.551 2.650 1.123 668 HB2 ALA 88 2HB ALA 88 -6.087 4.297 1.560 669 HB3 ALA 88 3HB ALA 88 -5.362 3.977 -0.021 670 H LYS 89 H LYS 89 -4.713 5.827 3.318 671 HA LYS 89 HA LYS 89 -3.957 8.211 1.843 672 HB2 LYS 89 1HB LYS 89 -4.519 7.743 4.791 673 HB3 LYS 89 2HB LYS 89 -4.358 9.332 4.041 674 HG2 LYS 89 1HG LYS 89 -6.525 7.285 3.387 675 HG3 LYS 89 2HG LYS 89 -6.709 8.704 4.416 676 HD2 LYS 89 1HD LYS 89 -6.151 10.148 2.421 677 HD3 LYS 89 2HD LYS 89 -6.151 8.676 1.417 678 HE2 LYS 89 1HE LYS 89 -8.485 8.193 2.154 679 HE3 LYS 89 2HE LYS 89 -8.482 9.676 3.115 680 HZ1 LYS 89 3HZ LYS 89 -9.528 10.081 0.999 681 HZ2 LYS 89 1HZ LYS 89 -8.123 10.916 1.019 682 HZ3 LYS 89 2HZ LYS 89 -8.243 9.517 0.161 683 H CYS 90 H CYS 90 -2.240 6.208 4.187 684 HA CYS 90 HA CYS 90 0.093 7.948 4.438 685 HB2 CYS 90 1HB CYS 90 -0.477 6.345 6.139 686 HB3 CYS 90 2HB CYS 90 -0.397 5.000 4.996 687 H ALA 91 H ALA 91 -0.775 5.211 2.273 688 HA ALA 91 HA ALA 91 1.597 5.223 0.725 689 HB1 ALA 91 1HB ALA 91 -0.166 3.465 0.730 690 HB2 ALA 91 2HB ALA 91 -1.235 4.559 -0.161 691 HB3 ALA 91 3HB ALA 91 0.272 4.008 -0.906 692 H LYS 92 H LYS 92 -1.404 7.289 0.249 693 HA LYS 92 HA LYS 92 -0.328 8.698 -1.979 694 HB2 LYS 92 1HB LYS 92 -2.055 9.945 0.184 695 HB3 LYS 92 2HB LYS 92 -1.865 10.469 -1.479 696 HG2 LYS 92 1HG LYS 92 -3.370 8.072 -0.431 697 HG3 LYS 92 2HG LYS 92 -3.999 9.463 -1.234 698 HD2 LYS 92 1HD LYS 92 -2.407 7.183 -2.447 699 HD3 LYS 92 2HD LYS 92 -4.092 7.573 -2.716 700 HE2 LYS 92 1HE LYS 92 -1.719 9.273 -3.628 701 HE3 LYS 92 2HE LYS 92 -2.654 8.177 -4.645 702 HZ1 LYS 92 3HZ LYS 92 -3.405 10.462 -4.894 703 HZ2 LYS 92 1HZ LYS 92 -4.614 9.565 -4.265 704 HZ3 LYS 92 2HZ LYS 92 -3.764 10.585 -3.306 705 H LYS 93 H LYS 93 0.123 9.355 1.521 706 HA LYS 93 HA LYS 93 1.737 11.693 1.147 707 HB2 LYS 93 1HB LYS 93 0.514 11.103 3.220 708 HB3 LYS 93 2HB LYS 93 1.606 9.753 3.489 709 HG2 LYS 93 1HG LYS 93 2.136 11.667 4.918 710 HG3 LYS 93 2HG LYS 93 3.489 11.279 3.857 711 HD2 LYS 93 1HD LYS 93 2.984 13.184 2.413 712 HD3 LYS 93 2HD LYS 93 1.448 13.459 3.256 713 HE2 LYS 93 1HE LYS 93 2.906 15.113 4.088 714 HE3 LYS 93 2HE LYS 93 2.789 13.902 5.370 715 HZ1 LYS 93 3HZ LYS 93 5.081 14.600 4.985 716 HZ2 LYS 93 1HZ LYS 93 4.934 13.019 4.655 717 HZ3 LYS 93 2HZ LYS 93 5.028 14.106 3.425 718 H ILE 94 H ILE 94 2.616 8.305 0.945 719 HA ILE 94 HA ILE 94 5.513 8.866 0.742 720 HB ILE 94 HB ILE 94 3.869 6.392 0.074 721 HG12 ILE 94 1HG1 ILE 94 5.806 6.829 2.369 722 HG13 ILE 94 2HG1 ILE 94 4.096 7.142 2.554 723 HG21 ILE 94 1HG2 ILE 94 5.885 6.434 -1.302 724 HG22 ILE 94 2HG2 ILE 94 6.878 6.896 0.092 725 HG23 ILE 94 3HG2 ILE 94 6.139 5.277 -0.001 726 HD11 ILE 94 3HD1 ILE 94 4.544 4.954 3.424 727 HD12 ILE 94 1HD1 ILE 94 3.591 4.771 1.943 728 HD13 ILE 94 2HD1 ILE 94 5.341 4.439 1.929 729 H TYR 95 H TYR 95 2.879 8.135 -1.594 730 HA TYR 95 HA TYR 95 4.360 8.318 -3.961 731 HB2 TYR 95 1HB TYR 95 2.334 7.425 -4.294 732 HB3 TYR 95 2HB TYR 95 1.516 8.474 -3.156 733 HD1 TYR 95 2HD TYR 95 0.976 10.887 -3.817 734 HD2 TYR 95 1HD TYR 95 2.034 7.794 -6.627 735 HE1 TYR 95 2HE TYR 95 -0.046 12.211 -5.657 736 HE2 TYR 95 1HE TYR 95 1.052 9.131 -8.474 737 HH TYR 95 HH TYR 95 -0.041 11.075 -9.061 738 H LYS 96 H LYS 96 3.184 10.955 -1.990 739 HA LYS 96 HA LYS 96 3.705 13.199 -3.651 740 HB2 LYS 96 1HB LYS 96 3.822 12.605 -0.679 741 HB3 LYS 96 2HB LYS 96 4.217 14.216 -1.257 742 HG2 LYS 96 1HG LYS 96 1.558 12.868 -1.890 743 HG3 LYS 96 2HG LYS 96 1.833 13.882 -0.470 744 HD2 LYS 96 1HD LYS 96 2.452 15.784 -1.949 745 HD3 LYS 96 2HD LYS 96 2.124 14.775 -3.376 746 HE2 LYS 96 1HE LYS 96 -0.222 14.466 -2.621 747 HE3 LYS 96 2HE LYS 96 0.101 15.457 -1.192 748 HZ1 LYS 96 3HZ LYS 96 -0.941 16.757 -2.949 749 HZ2 LYS 96 1HZ LYS 96 0.562 17.331 -2.675 750 HZ3 LYS 96 2HZ LYS 96 0.263 16.418 -3.998 751 H ARG 97 H ARG 97 6.049 11.031 -2.241 752 HA ARG 97 HA ARG 97 8.292 12.818 -3.144 753 HB2 ARG 97 1HB ARG 97 8.296 10.661 -0.999 754 HB3 ARG 97 2HB ARG 97 9.707 11.561 -1.534 755 HG2 ARG 97 1HG ARG 97 7.281 12.811 -0.155 756 HG3 ARG 97 2HG ARG 97 8.761 12.300 0.638 757 HD2 ARG 97 1HD ARG 97 8.971 14.622 0.392 758 HD3 ARG 97 2HD ARG 97 10.052 13.914 -0.818 759 HE ARG 97 HE ARG 97 7.510 14.393 -2.020 760 HH11 ARG 97 1HH1 ARG 97 10.206 16.351 -0.826 761 HH12 ARG 97 2HH1 ARG 97 9.861 17.636 -1.947 762 HH21 ARG 97 1HH2 ARG 97 7.137 16.010 -3.405 763 HH22 ARG 97 2HH2 ARG 97 8.120 17.452 -3.399 764 H HIS 98 H HIS 98 7.062 9.482 -3.049 765 HA HIS 98 HA HIS 98 8.628 8.797 -5.501 766 HB2 HIS 98 1HB HIS 98 8.586 7.239 -2.891 767 HB3 HIS 98 2HB HIS 98 9.289 6.663 -4.402 768 HD2 HIS 98 2HD HIS 98 10.118 8.585 -1.309 769 HE1 HIS 98 1HE HIS 98 13.390 9.289 -3.940 770 HE2 HIS 98 2HE HIS 98 12.564 9.533 -1.543 771 H ARG 99 H ARG 99 6.759 8.714 -6.761 772 HA ARG 99 HA ARG 99 4.247 7.955 -6.086 773 HB2 ARG 99 1HB ARG 99 3.701 7.700 -8.351 774 HB3 ARG 99 2HB ARG 99 4.626 9.153 -7.972 775 HG2 ARG 99 1HG ARG 99 6.670 8.119 -8.957 776 HG3 ARG 99 2HG ARG 99 5.731 6.641 -9.327 777 HD2 ARG 99 1HD ARG 99 4.097 8.009 -10.548 778 HD3 ARG 99 2HD ARG 99 5.060 9.457 -10.219 779 HE ARG 99 HE ARG 99 6.791 7.611 -11.469 780 HH11 ARG 99 1HH1 ARG 99 3.894 9.396 -12.442 781 HH12 ARG 99 2HH1 ARG 99 4.339 9.380 -14.122 782 HH21 ARG 99 1HH2 ARG 99 7.306 7.632 -13.650 783 HH22 ARG 99 2HH2 ARG 99 6.246 8.399 -14.792 784 H PHE 100 H PHE 100 6.674 5.691 -7.338 785 HA PHE 100 HA PHE 100 5.151 3.408 -6.182 786 HB2 PHE 100 1HB PHE 100 6.361 3.363 -8.961 787 HB3 PHE 100 2HB PHE 100 5.503 2.068 -8.132 788 HD1 PHE 100 1HD PHE 100 3.035 2.701 -7.301 789 HD2 PHE 100 2HD PHE 100 5.134 4.546 -10.586 790 HE1 PHE 100 1HE PHE 100 0.884 3.413 -8.275 791 HE2 PHE 100 2HE PHE 100 2.968 5.267 -11.558 792 HZ PHE 100 HZ PHE 100 0.837 4.703 -10.404 793 H ASP 101 H ASP 101 8.225 4.923 -6.865 794 HA ASP 101 HA ASP 101 9.895 2.633 -6.811 795 HB2 ASP 101 1HB ASP 101 10.402 4.828 -7.856 796 HB3 ASP 101 2HB ASP 101 10.553 5.549 -6.253 797 H ALA 102 H ALA 102 8.384 4.209 -4.158 798 HA ALA 102 HA ALA 102 10.278 3.484 -2.072 799 HB1 ALA 102 1HB ALA 102 8.679 5.301 -1.758 800 HB2 ALA 102 2HB ALA 102 7.312 4.185 -2.001 801 HB3 ALA 102 3HB ALA 102 8.363 4.022 -0.581 802 H TRP 103 H TRP 103 8.254 1.566 -4.019 803 HA TRP 103 HA TRP 103 8.222 -0.672 -2.026 804 HB2 TRP 103 1HB TRP 103 6.264 0.043 -4.248 805 HB3 TRP 103 2HB TRP 103 6.204 -1.435 -3.302 806 HD1 TRP 103 HD TRP 103 5.533 -1.256 -0.736 807 HE1 TRP 103 1HE TRP 103 4.057 0.375 0.522 808 HE3 TRP 103 3HE TRP 103 5.666 2.641 -4.050 809 HZ2 TRP 103 2HZ TRP 103 2.947 3.038 0.102 810 HZ3 TRP 103 3HZ TRP 103 4.381 4.711 -3.605 811 HH2 TRP 103 HH TRP 103 2.983 4.905 -1.560 812 H TYR 104 H TYR 104 9.298 -2.368 -2.447 813 HA TYR 104 HA TYR 104 10.989 -2.453 -4.750 814 HB2 TYR 104 1HB TYR 104 11.522 -3.220 -2.399 815 HB3 TYR 104 2HB TYR 104 10.521 -4.643 -2.696 816 HD1 TYR 104 2HD TYR 104 13.391 -2.676 -4.005 817 HD2 TYR 104 1HD TYR 104 11.467 -6.519 -3.867 818 HE1 TYR 104 2HE TYR 104 15.337 -3.685 -5.227 819 HE2 TYR 104 1HE TYR 104 13.395 -7.544 -5.081 820 HH TYR 104 HH TYR 104 16.233 -5.608 -6.129 821 H GLY 105 H GLY 105 7.964 -4.165 -3.967 822 HA2 GLY 105 1HA GLY 105 8.161 -6.241 -5.902 823 HA3 GLY 105 2HA GLY 105 6.657 -5.594 -5.203 824 H TRP 106 H TRP 106 6.914 -2.906 -6.220 825 HA TRP 106 HA TRP 106 5.838 -3.248 -8.841 826 HB2 TRP 106 1HB TRP 106 5.125 -1.432 -7.491 827 HB3 TRP 106 2HB TRP 106 6.762 -0.811 -7.308 828 HD1 TRP 106 HD TRP 106 3.851 -0.876 -9.775 829 HE1 TRP 106 1HE TRP 106 4.306 0.743 -11.712 830 HE3 TRP 106 3HE TRP 106 8.637 0.438 -8.573 831 HZ2 TRP 106 2HZ TRP 106 6.508 2.418 -12.618 832 HZ3 TRP 106 3HZ TRP 106 9.917 1.995 -9.990 833 HH2 TRP 106 HH TRP 106 8.863 3.009 -12.020 834 H LYS 107 H LYS 107 9.080 -2.121 -7.802 835 HA LYS 107 HA LYS 107 10.025 -1.987 -10.575 836 HB2 LYS 107 1HB LYS 107 12.191 -1.390 -9.589 837 HB3 LYS 107 2HB LYS 107 10.854 -0.347 -9.125 838 HG2 LYS 107 1HG LYS 107 10.688 -1.628 -6.953 839 HG3 LYS 107 2HG LYS 107 12.195 -2.455 -7.386 840 HD2 LYS 107 1HD LYS 107 11.751 0.539 -6.998 841 HD3 LYS 107 2HD LYS 107 12.548 -0.544 -5.853 842 HE2 LYS 107 1HE LYS 107 14.381 -0.954 -7.445 843 HE3 LYS 107 2HE LYS 107 13.561 0.019 -8.677 844 HZ1 LYS 107 3HZ LYS 107 15.240 1.327 -7.551 845 HZ2 LYS 107 1HZ LYS 107 13.754 1.943 -7.231 846 HZ3 LYS 107 2HZ LYS 107 14.546 1.072 -6.089 847 H ASN 108 H ASN 108 9.652 -4.582 -8.414 848 HA ASN 108 HA ASN 108 11.681 -6.271 -9.712 849 HB2 ASN 108 1HB ASN 108 11.246 -6.432 -7.302 850 HB3 ASN 108 2HB ASN 108 9.567 -6.886 -7.618 851 HD21 ASN 108 2HD2 ASN 108 12.972 -7.949 -7.985 852 HD22 ASN 108 1HD2 ASN 108 12.574 -9.650 -8.138 853 H HIS 109 H HIS 109 8.093 -5.940 -9.836 854 HA HIS 109 HA HIS 109 8.098 -7.874 -12.124 855 HB2 HIS 109 1HB HIS 109 6.945 -9.367 -11.017 856 HB3 HIS 109 2HB HIS 109 7.320 -8.494 -9.547 857 HD2 HIS 109 2HD HIS 109 5.304 -6.458 -8.965 858 HE1 HIS 109 1HE HIS 109 2.195 -8.869 -10.566 859 HE2 HIS 109 2HE HIS 109 2.719 -6.852 -9.091 860 H CYS 110 H CYS 110 6.568 -4.892 -10.983 861 HA CYS 110 HA CYS 110 4.411 -5.021 -12.950 862 HB2 CYS 110 1HB CYS 110 5.474 -2.642 -11.390 863 HB3 CYS 110 2HB CYS 110 3.995 -2.689 -12.314 864 H GLN 111 H GLN 111 7.696 -4.461 -13.387 865 HA GLN 111 HA GLN 111 7.557 -2.385 -15.428 866 HB2 GLN 111 1HB GLN 111 9.818 -4.342 -14.844 867 HB3 GLN 111 2HB GLN 111 9.931 -2.810 -15.703 868 HG2 GLN 111 1HG GLN 111 9.396 -3.214 -12.731 869 HG3 GLN 111 2HG GLN 111 10.846 -2.562 -13.470 870 HE21 GLN 111 2HE2 GLN 111 8.042 -1.631 -11.859 871 HE22 GLN 111 1HE2 GLN 111 8.023 0.034 -12.423 872 H GLY 112 H GLY 112 7.168 -5.871 -15.501 873 HA2 GLY 112 1HA GLY 112 7.795 -6.130 -18.370 874 HA3 GLY 112 2HA GLY 112 7.241 -7.402 -17.257 875 H SER 113 H SER 113 4.865 -6.152 -16.322 876 HA SER 113 HA SER 113 3.086 -5.371 -18.446 877 HB2 SER 113 1HB SER 113 3.478 -7.813 -19.021 878 HB3 SER 113 2HB SER 113 2.765 -8.231 -17.457 879 HG SER 113 HG SER 113 1.238 -8.256 -19.214 880 H LEU 114 H LEU 114 0.927 -4.978 -17.672 881 HA LEU 114 HA LEU 114 0.524 -5.099 -14.721 882 HB2 LEU 114 1HB LEU 114 -0.270 -2.981 -16.766 883 HB3 LEU 114 2HB LEU 114 -0.828 -3.004 -15.100 884 HG LEU 114 HG LEU 114 2.113 -2.777 -15.885 885 HD11 LEU 114 1HD1 LEU 114 0.771 -0.874 -16.690 886 HD12 LEU 114 2HD1 LEU 114 0.144 -0.614 -15.041 887 HD13 LEU 114 3HD1 LEU 114 1.878 -0.401 -15.389 888 HD21 LEU 114 3HD2 LEU 114 2.314 -1.933 -13.518 889 HD22 LEU 114 1HD2 LEU 114 0.638 -2.438 -13.232 890 HD23 LEU 114 2HD2 LEU 114 1.885 -3.645 -13.620 891 HA PRO 115 HA PRO 115 -3.303 -7.209 -15.718 892 HB2 PRO 115 1HB PRO 115 -4.808 -6.736 -13.507 893 HB3 PRO 115 2HB PRO 115 -3.334 -7.758 -13.454 894 HG2 PRO 115 1HG PRO 115 -3.588 -4.818 -12.726 895 HG3 PRO 115 2HG PRO 115 -2.832 -6.135 -11.767 896 HD2 PRO 115 1HD PRO 115 -1.370 -4.484 -13.376 897 HD3 PRO 115 2HD PRO 115 -0.955 -6.218 -13.188 898 H ASP 116 H ASP 116 -5.506 -6.792 -16.309 899 HA ASP 116 HA ASP 116 -6.083 -4.048 -17.157 900 HB2 ASP 116 1HB ASP 116 -6.559 -5.948 -18.631 901 HB3 ASP 116 2HB ASP 116 -7.663 -6.627 -17.430 902 H ILE 117 H ILE 117 -7.897 -2.925 -16.654 903 HA ILE 117 HA ILE 117 -9.380 -3.466 -14.114 904 HB ILE 117 HB ILE 117 -9.173 -1.089 -13.498 905 HG12 ILE 117 1HG1 ILE 117 -7.085 -0.886 -15.725 906 HG13 ILE 117 2HG1 ILE 117 -8.727 -0.247 -15.839 907 HG21 ILE 117 1HG2 ILE 117 -7.658 -2.823 -12.539 908 HG22 ILE 117 2HG2 ILE 117 -6.441 -2.415 -13.756 909 HG23 ILE 117 3HG2 ILE 117 -6.940 -1.208 -12.552 910 HD11 ILE 117 3HD1 ILE 117 -7.241 1.533 -15.290 911 HD12 ILE 117 1HD1 ILE 117 -8.271 1.212 -13.876 912 HD13 ILE 117 2HD1 ILE 117 -6.582 0.633 -13.914 913 H SER 118 H SER 118 -9.629 -2.817 -17.409 914 HA SER 118 HA SER 118 -11.886 -1.026 -17.445 915 HB2 SER 118 1HB SER 118 -10.277 -1.606 -19.327 916 HB3 SER 118 2HB SER 118 -11.164 -3.130 -19.512 917 HG SER 118 HG SER 118 -11.927 -1.459 -20.928 918 H SER 119 H SER 119 -11.660 -4.407 -16.652 919 HA SER 119 HA SER 119 -14.505 -5.034 -16.959 920 HB2 SER 119 1HB SER 119 -13.778 -7.111 -15.751 921 HB3 SER 119 2HB SER 119 -12.911 -6.790 -17.264 922 HG SER 119 HG SER 119 -11.490 -7.399 -15.538 923 H CYS 120 H CYS 120 -12.727 -3.254 -14.649 924 HA CYS 120 HA CYS 120 -14.375 -4.045 -12.324 925 HB2 CYS 120 1HB CYS 120 -12.020 -2.157 -12.530 926 HB3 CYS 120 2HB CYS 120 -12.752 -2.762 -11.049 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -8.331 -8.663 10.412 2 H2 GLY 1 2H GLY 1 -6.888 -9.157 9.791 3 H3 GLY 1 3H GLY 1 -7.002 -7.696 10.530 4 HA2 GLY 1 1HA GLY 1 -8.406 -6.827 8.822 5 HA3 GLY 1 2HA GLY 1 -6.886 -7.455 8.157 6 H LYS 2 H LYS 2 -7.797 -7.752 6.129 7 HA LYS 2 HA LYS 2 -9.245 -10.238 5.636 8 HB2 LYS 2 1HB LYS 2 -11.139 -9.220 4.531 9 HB3 LYS 2 2HB LYS 2 -11.065 -8.629 6.190 10 HG2 LYS 2 1HG LYS 2 -10.099 -6.500 5.456 11 HG3 LYS 2 2HG LYS 2 -10.017 -7.063 3.785 12 HD2 LYS 2 1HD LYS 2 -12.615 -6.756 5.336 13 HD3 LYS 2 2HD LYS 2 -11.915 -5.522 4.277 14 HE2 LYS 2 1HE LYS 2 -11.973 -7.104 2.362 15 HE3 LYS 2 2HE LYS 2 -12.742 -8.320 3.393 16 HZ1 LYS 2 3HZ LYS 2 -14.381 -7.089 2.109 17 HZ2 LYS 2 1HZ LYS 2 -14.605 -6.785 3.697 18 HZ3 LYS 2 2HZ LYS 2 -13.894 -5.663 2.742 19 H THR 3 H THR 3 -9.540 -10.639 3.296 20 HA THR 3 HA THR 3 -7.409 -9.367 1.638 21 HB THR 3 HB THR 3 -8.610 -12.099 1.143 22 HG1 THR 3 1HG THR 3 -6.804 -12.888 2.230 23 HG21 THR 3 3HG2 THR 3 -6.451 -12.386 -0.092 24 HG22 THR 3 1HG2 THR 3 -7.402 -11.051 -0.757 25 HG23 THR 3 2HG2 THR 3 -6.018 -10.707 0.302 26 H PHE 4 H PHE 4 -7.911 -8.357 -0.138 27 HA PHE 4 HA PHE 4 -10.736 -8.157 -1.048 28 HB2 PHE 4 1HB PHE 4 -8.252 -6.467 -1.529 29 HB3 PHE 4 2HB PHE 4 -9.754 -6.181 -2.359 30 HD1 PHE 4 1HD PHE 4 -8.251 -6.317 1.091 31 HD2 PHE 4 2HD PHE 4 -11.436 -4.788 -1.395 32 HE1 PHE 4 1HE PHE 4 -9.070 -4.931 2.973 33 HE2 PHE 4 2HE PHE 4 -12.256 -3.430 0.496 34 HZ PHE 4 HZ PHE 4 -11.085 -3.503 2.692 35 H THR 5 H THR 5 -11.183 -8.176 -3.289 36 HA THR 5 HA THR 5 -9.414 -9.869 -5.018 37 HB THR 5 HB THR 5 -11.716 -10.704 -4.729 38 HG1 THR 5 1HG THR 5 -11.914 -11.041 -6.940 39 HG21 THR 5 3HG2 THR 5 -13.594 -9.621 -5.805 40 HG22 THR 5 1HG2 THR 5 -12.933 -8.486 -4.620 41 HG23 THR 5 2HG2 THR 5 -12.588 -8.272 -6.355 42 H ARG 6 H ARG 6 -9.207 -9.053 -7.325 43 HA ARG 6 HA ARG 6 -8.089 -6.453 -7.260 44 HB2 ARG 6 1HB ARG 6 -7.515 -8.253 -8.883 45 HB3 ARG 6 2HB ARG 6 -9.018 -7.925 -9.754 46 HG2 ARG 6 1HG ARG 6 -8.279 -5.589 -10.167 47 HG3 ARG 6 2HG ARG 6 -6.804 -5.871 -9.231 48 HD2 ARG 6 1HD ARG 6 -7.586 -7.323 -11.790 49 HD3 ARG 6 2HD ARG 6 -6.462 -5.962 -11.690 50 HE ARG 6 HE ARG 6 -5.229 -7.570 -9.972 51 HH11 ARG 6 1HH1 ARG 6 -6.740 -8.694 -12.984 52 HH12 ARG 6 2HH1 ARG 6 -5.601 -9.997 -13.150 53 HH21 ARG 6 1HH2 ARG 6 -3.715 -9.073 -10.359 54 HH22 ARG 6 2HH2 ARG 6 -3.912 -10.239 -11.653 55 H CYS 7 H CYS 7 -11.288 -7.441 -8.581 56 HA CYS 7 HA CYS 7 -12.143 -4.841 -9.388 57 HB2 CYS 7 1HB CYS 7 -13.839 -7.164 -8.398 58 HB3 CYS 7 2HB CYS 7 -14.398 -5.794 -9.355 59 H GLY 8 H GLY 8 -12.231 -6.343 -6.184 60 HA2 GLY 8 1HA GLY 8 -13.847 -4.263 -4.918 61 HA3 GLY 8 2HA GLY 8 -12.878 -5.523 -4.108 62 H LEU 9 H LEU 9 -10.325 -5.031 -5.027 63 HA LEU 9 HA LEU 9 -9.427 -2.792 -3.530 64 HB2 LEU 9 1HB LEU 9 -8.150 -4.882 -4.012 65 HB3 LEU 9 2HB LEU 9 -8.060 -4.434 -5.717 66 HG LEU 9 HG LEU 9 -6.782 -2.400 -5.111 67 HD11 LEU 9 1HD1 LEU 9 -7.570 -1.941 -2.863 68 HD12 LEU 9 2HD1 LEU 9 -6.983 -3.515 -2.289 69 HD13 LEU 9 3HD1 LEU 9 -5.831 -2.242 -2.780 70 HD21 LEU 9 3HD2 LEU 9 -4.695 -3.507 -4.634 71 HD22 LEU 9 1HD2 LEU 9 -5.540 -4.900 -3.919 72 HD23 LEU 9 2HD2 LEU 9 -5.656 -4.576 -5.666 73 H VAL 10 H VAL 10 -9.695 -3.142 -7.116 74 HA VAL 10 HA VAL 10 -8.837 -0.564 -7.861 75 HB VAL 10 HB VAL 10 -10.990 -2.354 -9.048 76 HG11 VAL 10 1HG1 VAL 10 -11.669 -0.199 -9.828 77 HG12 VAL 10 2HG1 VAL 10 -10.003 0.318 -10.101 78 HG13 VAL 10 3HG1 VAL 10 -10.736 -0.909 -11.145 79 HG21 VAL 10 3HG2 VAL 10 -9.332 -2.790 -10.783 80 HG22 VAL 10 1HG2 VAL 10 -8.207 -1.624 -10.060 81 HG23 VAL 10 2HG2 VAL 10 -8.607 -3.123 -9.211 82 H HIS 11 H HIS 11 -12.088 -1.566 -6.786 83 HA HIS 11 HA HIS 11 -13.298 1.066 -6.938 84 HB2 HIS 11 1HB HIS 11 -14.073 -1.502 -5.511 85 HB3 HIS 11 2HB HIS 11 -15.032 -0.039 -5.442 86 HD2 HIS 11 2HD HIS 11 -13.648 -0.420 -8.926 87 HE1 HIS 11 1HE HIS 11 -17.560 -2.096 -9.033 88 HE2 HIS 11 2HE HIS 11 -15.620 -1.299 -10.456 89 H GLU 12 H GLU 12 -11.840 -0.748 -4.218 90 HA GLU 12 HA GLU 12 -12.495 1.113 -2.172 91 HB2 GLU 12 1HB GLU 12 -11.483 -1.378 -2.187 92 HB3 GLU 12 2HB GLU 12 -9.967 -0.520 -2.034 93 HG2 GLU 12 1HG GLU 12 -10.899 -1.237 0.122 94 HG3 GLU 12 2HG GLU 12 -10.766 0.528 0.030 95 H LEU 13 H LEU 13 -9.618 0.897 -4.262 96 HA LEU 13 HA LEU 13 -8.308 3.230 -3.139 97 HB2 LEU 13 1HB LEU 13 -8.025 1.795 -5.791 98 HB3 LEU 13 2HB LEU 13 -6.861 2.958 -5.156 99 HG LEU 13 HG LEU 13 -7.560 0.314 -3.856 100 HD11 LEU 13 1HD1 LEU 13 -6.412 0.013 -5.985 101 HD12 LEU 13 2HD1 LEU 13 -5.155 1.179 -5.495 102 HD13 LEU 13 3HD1 LEU 13 -5.310 -0.378 -4.647 103 HD21 LEU 13 3HD2 LEU 13 -5.608 0.668 -2.450 104 HD22 LEU 13 1HD2 LEU 13 -5.351 2.277 -3.190 105 HD23 LEU 13 2HD2 LEU 13 -6.791 1.955 -2.196 106 H ARG 14 H ARG 14 -10.454 2.763 -5.953 107 HA ARG 14 HA ARG 14 -10.407 5.463 -6.911 108 HB2 ARG 14 1HB ARG 14 -12.520 3.301 -7.004 109 HB3 ARG 14 2HB ARG 14 -12.841 4.913 -7.639 110 HG2 ARG 14 1HG ARG 14 -11.142 4.758 -9.299 111 HG3 ARG 14 2HG ARG 14 -10.460 3.290 -8.578 112 HD2 ARG 14 1HD ARG 14 -12.463 2.024 -9.074 113 HD3 ARG 14 2HD ARG 14 -13.279 3.476 -9.703 114 HE ARG 14 HE ARG 14 -10.886 3.088 -11.161 115 HH11 ARG 14 1HH1 ARG 14 -14.065 1.550 -10.816 116 HH12 ARG 14 2HH1 ARG 14 -13.915 0.701 -12.341 117 HH21 ARG 14 1HH2 ARG 14 -10.836 1.977 -13.183 118 HH22 ARG 14 2HH2 ARG 14 -12.182 0.954 -13.613 119 H LYS 15 H LYS 15 -12.439 4.014 -4.309 120 HA LYS 15 HA LYS 15 -13.800 6.483 -3.612 121 HB2 LYS 15 1HB LYS 15 -13.228 3.922 -2.079 122 HB3 LYS 15 2HB LYS 15 -14.200 5.242 -1.432 123 HG2 LYS 15 1HG LYS 15 -15.828 5.032 -3.248 124 HG3 LYS 15 2HG LYS 15 -14.895 3.736 -3.994 125 HD2 LYS 15 1HD LYS 15 -16.186 3.634 -1.230 126 HD3 LYS 15 2HD LYS 15 -16.817 2.874 -2.701 127 HE2 LYS 15 1HE LYS 15 -14.756 1.484 -2.869 128 HE3 LYS 15 2HE LYS 15 -14.138 2.232 -1.389 129 HZ1 LYS 15 3HZ LYS 15 -15.113 0.130 -0.889 130 HZ2 LYS 15 1HZ LYS 15 -16.023 1.293 -0.193 131 HZ3 LYS 15 2HZ LYS 15 -16.564 0.543 -1.551 132 H HIS 16 H HIS 16 -10.732 5.041 -2.552 133 HA HIS 16 HA HIS 16 -10.296 7.070 -0.509 134 HB2 HIS 16 1HB HIS 16 -8.637 4.707 -1.464 135 HB3 HIS 16 2HB HIS 16 -8.217 5.752 -0.107 136 HD2 HIS 16 2HD HIS 16 -8.387 3.100 0.955 137 HE1 HIS 16 1HE HIS 16 -12.500 3.501 1.878 138 HE2 HIS 16 2HE HIS 16 -10.426 2.172 2.375 139 H GLY 17 H GLY 17 -9.956 7.468 -3.728 140 HA2 GLY 17 1HA GLY 17 -9.287 9.526 -4.626 141 HA3 GLY 17 2HA GLY 17 -8.195 9.802 -3.252 142 H PHE 18 H PHE 18 -8.009 6.774 -5.057 143 HA PHE 18 HA PHE 18 -5.355 7.522 -6.132 144 HB2 PHE 18 1HB PHE 18 -6.873 4.922 -6.108 145 HB3 PHE 18 2HB PHE 18 -5.296 5.170 -6.845 146 HD1 PHE 18 2HD PHE 18 -6.882 5.793 -3.436 147 HD2 PHE 18 1HD PHE 18 -3.501 4.345 -5.680 148 HE1 PHE 18 2HE PHE 18 -5.722 5.299 -1.353 149 HE2 PHE 18 1HE PHE 18 -2.335 3.806 -3.559 150 HZ PHE 18 HZ PHE 18 -3.435 4.275 -1.387 151 H GLU 19 H GLU 19 -4.924 7.712 -8.349 152 HA GLU 19 HA GLU 19 -7.165 8.538 -9.996 153 HB2 GLU 19 1HB GLU 19 -4.221 8.257 -10.691 154 HB3 GLU 19 2HB GLU 19 -5.446 9.074 -11.663 155 HG2 GLU 19 1HG GLU 19 -4.542 9.943 -8.891 156 HG3 GLU 19 2HG GLU 19 -4.005 10.627 -10.419 157 H GLU 20 H GLU 20 -8.098 7.548 -11.726 158 HA GLU 20 HA GLU 20 -8.019 4.751 -11.952 159 HB2 GLU 20 1HB GLU 20 -9.513 4.990 -13.829 160 HB3 GLU 20 2HB GLU 20 -9.953 6.101 -12.536 161 HG2 GLU 20 1HG GLU 20 -8.834 7.967 -13.788 162 HG3 GLU 20 2HG GLU 20 -8.457 6.840 -15.094 163 H ASN 21 H ASN 21 -5.986 7.079 -13.664 164 HA ASN 21 HA ASN 21 -5.070 5.098 -15.620 165 HB2 ASN 21 1HB ASN 21 -3.744 6.812 -16.528 166 HB3 ASN 21 2HB ASN 21 -5.307 7.529 -16.165 167 HD21 ASN 21 2HD2 ASN 21 -2.413 8.641 -16.408 168 HD22 ASN 21 1HD2 ASN 21 -2.241 9.583 -14.938 169 H LEU 22 H LEU 22 -4.187 5.972 -12.380 170 HA LEU 22 HA LEU 22 -1.534 4.603 -12.579 171 HB2 LEU 22 1HB LEU 22 -2.871 6.040 -10.256 172 HB3 LEU 22 2HB LEU 22 -1.236 5.380 -10.274 173 HG LEU 22 HG LEU 22 -2.254 7.724 -11.913 174 HD11 LEU 22 1HD1 LEU 22 -1.930 8.194 -9.516 175 HD12 LEU 22 2HD1 LEU 22 -0.275 7.551 -9.607 176 HD13 LEU 22 3HD1 LEU 22 -0.712 9.029 -10.494 177 HD21 LEU 22 3HD2 LEU 22 0.118 8.050 -12.597 178 HD22 LEU 22 1HD2 LEU 22 0.542 6.502 -11.840 179 HD23 LEU 22 2HD2 LEU 22 -0.552 6.550 -13.242 180 H MET 23 H MET 23 -4.799 4.047 -11.566 181 HA MET 23 HA MET 23 -4.755 2.251 -9.571 182 HB2 MET 23 1HB MET 23 -6.672 3.203 -10.976 183 HB3 MET 23 2HB MET 23 -6.451 1.862 -12.063 184 HG2 MET 23 1HG MET 23 -8.286 1.451 -10.449 185 HG3 MET 23 2HG MET 23 -6.996 0.275 -10.218 186 HE1 MET 23 3HE MET 23 -8.085 3.857 -7.565 187 HE2 MET 23 1HE MET 23 -6.793 4.129 -8.761 188 HE3 MET 23 2HE MET 23 -8.413 3.642 -9.289 189 H ARG 24 H ARG 24 -4.167 1.230 -12.982 190 HA ARG 24 HA ARG 24 -3.766 -1.512 -12.562 191 HB2 ARG 24 1HB ARG 24 -2.314 0.317 -14.530 192 HB3 ARG 24 2HB ARG 24 -2.403 -1.447 -14.614 193 HG2 ARG 24 1HG ARG 24 -4.885 -1.294 -14.801 194 HG3 ARG 24 2HG ARG 24 -4.750 0.475 -14.826 195 HD2 ARG 24 1HD ARG 24 -4.969 -0.203 -17.085 196 HD3 ARG 24 2HD ARG 24 -3.276 0.274 -16.859 197 HE ARG 24 HE ARG 24 -3.717 -2.566 -16.412 198 HH11 ARG 24 1HH1 ARG 24 -3.365 -0.259 -19.075 199 HH12 ARG 24 2HH1 ARG 24 -2.811 -1.481 -20.180 200 HH21 ARG 24 1HH2 ARG 24 -2.908 -4.079 -17.871 201 HH22 ARG 24 2HH2 ARG 24 -2.584 -3.611 -19.510 202 H ASN 25 H ASN 25 -1.281 1.090 -12.308 203 HA ASN 25 HA ASN 25 0.898 -0.696 -11.585 204 HB2 ASN 25 1HB ASN 25 0.472 2.307 -11.330 205 HB3 ASN 25 2HB ASN 25 1.872 1.494 -10.644 206 HD21 ASN 25 2HD2 ASN 25 0.473 2.679 -13.625 207 HD22 ASN 25 1HD2 ASN 25 1.828 2.201 -14.627 208 H TRP 26 H TRP 26 -1.443 1.275 -9.671 209 HA TRP 26 HA TRP 26 -0.322 0.637 -7.134 210 HB2 TRP 26 1HB TRP 26 -3.042 1.615 -8.039 211 HB3 TRP 26 2HB TRP 26 -2.708 1.254 -6.353 212 HD1 TRP 26 HD TRP 26 -2.523 4.063 -8.678 213 HE1 TRP 26 1HE TRP 26 -1.170 5.998 -7.699 214 HE3 TRP 26 3HE TRP 26 -0.236 1.575 -4.835 215 HZ2 TRP 26 2HZ TRP 26 0.452 6.483 -5.326 216 HZ3 TRP 26 3HZ TRP 26 1.180 2.798 -3.215 217 HH2 TRP 26 HH TRP 26 1.510 5.253 -3.434 218 H VAL 27 H VAL 27 -3.126 -0.966 -8.793 219 HA VAL 27 HA VAL 27 -3.359 -2.894 -6.670 220 HB VAL 27 HB VAL 27 -4.810 -4.215 -7.963 221 HG11 VAL 27 1HG1 VAL 27 -5.594 -1.995 -7.090 222 HG12 VAL 27 2HG1 VAL 27 -5.415 -1.339 -8.727 223 HG13 VAL 27 3HG1 VAL 27 -6.547 -2.664 -8.420 224 HG21 VAL 27 3HG2 VAL 27 -5.331 -3.790 -10.352 225 HG22 VAL 27 1HG2 VAL 27 -3.944 -2.682 -10.437 226 HG23 VAL 27 2HG2 VAL 27 -3.696 -4.409 -10.090 227 H CYS 28 H CYS 28 -1.368 -2.943 -9.640 228 HA CYS 28 HA CYS 28 -0.520 -5.681 -9.296 229 HB2 CYS 28 1HB CYS 28 -0.577 -4.258 -11.372 230 HB3 CYS 28 2HB CYS 28 0.885 -3.461 -10.820 231 H LEU 29 H LEU 29 0.830 -2.592 -8.158 232 HA LEU 29 HA LEU 29 3.173 -3.606 -6.837 233 HB2 LEU 29 1HB LEU 29 2.793 -1.279 -7.409 234 HB3 LEU 29 2HB LEU 29 1.376 -1.170 -6.394 235 HG LEU 29 HG LEU 29 4.167 -1.644 -5.275 236 HD11 LEU 29 1HD1 LEU 29 4.057 0.481 -6.566 237 HD12 LEU 29 2HD1 LEU 29 2.612 0.962 -5.651 238 HD13 LEU 29 3HD1 LEU 29 4.176 0.795 -4.836 239 HD21 LEU 29 3HD2 LEU 29 3.135 -0.604 -3.206 240 HD22 LEU 29 1HD2 LEU 29 1.550 -0.711 -3.991 241 HD23 LEU 29 2HD2 LEU 29 2.469 -2.180 -3.592 242 H VAL 30 H VAL 30 -0.101 -2.866 -5.567 243 HA VAL 30 HA VAL 30 0.314 -3.885 -2.963 244 HB VAL 30 HB VAL 30 -2.169 -3.491 -4.648 245 HG11 VAL 30 1HG1 VAL 30 -2.836 -5.281 -3.165 246 HG12 VAL 30 2HG1 VAL 30 -2.080 -4.469 -1.782 247 HG13 VAL 30 3HG1 VAL 30 -3.518 -3.773 -2.568 248 HG21 VAL 30 3HG2 VAL 30 -2.547 -1.604 -3.127 249 HG22 VAL 30 1HG2 VAL 30 -1.141 -2.072 -2.144 250 HG23 VAL 30 2HG2 VAL 30 -0.914 -1.484 -3.798 251 H GLU 31 H GLU 31 -0.906 -5.635 -5.867 252 HA GLU 31 HA GLU 31 -1.372 -8.106 -4.571 253 HB2 GLU 31 1HB GLU 31 -0.752 -7.319 -7.432 254 HB3 GLU 31 2HB GLU 31 -0.906 -9.025 -6.989 255 HG2 GLU 31 1HG GLU 31 -3.130 -8.759 -6.187 256 HG3 GLU 31 2HG GLU 31 -3.062 -7.001 -6.299 257 H HIS 32 H HIS 32 1.745 -6.729 -5.660 258 HA HIS 32 HA HIS 32 3.165 -9.238 -5.127 259 HB2 HIS 32 1HB HIS 32 3.681 -7.369 -6.862 260 HB3 HIS 32 2HB HIS 32 4.420 -6.515 -5.516 261 HD2 HIS 32 2HD HIS 32 4.871 -9.391 -7.908 262 HE1 HIS 32 1HE HIS 32 8.302 -9.531 -5.391 263 HE2 HIS 32 2HE HIS 32 7.276 -10.432 -7.539 264 H GLU 33 H GLU 33 2.589 -6.163 -3.415 265 HA GLU 33 HA GLU 33 4.604 -6.682 -1.380 266 HB2 GLU 33 1HB GLU 33 2.406 -4.603 -1.623 267 HB3 GLU 33 2HB GLU 33 3.511 -4.667 -0.259 268 HG2 GLU 33 1HG GLU 33 4.360 -4.307 -3.161 269 HG3 GLU 33 2HG GLU 33 4.172 -3.016 -1.982 270 H SER 34 H SER 34 0.984 -6.711 -1.259 271 HA SER 34 HA SER 34 1.166 -8.454 1.187 272 HB2 SER 34 1HB SER 34 -1.029 -7.584 1.775 273 HB3 SER 34 2HB SER 34 0.136 -6.286 1.678 274 HG SER 34 HG SER 34 -0.858 -5.481 -0.038 275 H SER 35 H SER 35 0.175 -8.491 -2.096 276 HA SER 35 HA SER 35 -1.268 -9.765 -3.333 277 HB2 SER 35 1HB SER 35 -1.360 -11.765 -1.076 278 HB3 SER 35 2HB SER 35 -1.810 -11.998 -2.768 279 HG SER 35 HG SER 35 0.467 -11.426 -3.261 280 H ARG 36 H ARG 36 -2.236 -7.610 -1.655 281 HA ARG 36 HA ARG 36 -4.168 -6.531 -1.406 282 HB2 ARG 36 1HB ARG 36 -5.787 -8.892 -2.382 283 HB3 ARG 36 2HB ARG 36 -6.194 -7.179 -2.413 284 HG2 ARG 36 1HG ARG 36 -4.274 -6.861 -4.068 285 HG3 ARG 36 2HG ARG 36 -4.149 -8.611 -4.151 286 HD2 ARG 36 1HD ARG 36 -6.703 -7.076 -4.775 287 HD3 ARG 36 2HD ARG 36 -5.535 -7.588 -5.986 288 HE ARG 36 HE ARG 36 -7.072 -9.420 -4.178 289 HH11 ARG 36 1HH1 ARG 36 -5.578 -8.976 -7.408 290 HH12 ARG 36 2HH1 ARG 36 -6.001 -10.600 -7.863 291 HH21 ARG 36 1HH2 ARG 36 -7.498 -11.466 -4.862 292 HH22 ARG 36 2HH2 ARG 36 -7.102 -11.964 -6.478 293 H ASP 37 H ASP 37 -3.054 -8.105 0.729 294 HA ASP 37 HA ASP 37 -5.461 -8.803 2.403 295 HB2 ASP 37 1HB ASP 37 -4.180 -10.801 1.827 296 HB3 ASP 37 2HB ASP 37 -2.700 -10.039 2.389 297 H THR 38 H THR 38 -5.816 -7.346 3.971 298 HA THR 38 HA THR 38 -3.785 -5.420 4.754 299 HB THR 38 HB THR 38 -5.324 -4.658 6.496 300 HG1 THR 38 1HG THR 38 -7.304 -5.538 6.687 301 HG21 THR 38 3HG2 THR 38 -7.149 -3.879 5.071 302 HG22 THR 38 1HG2 THR 38 -5.589 -3.747 4.246 303 HG23 THR 38 2HG2 THR 38 -6.718 -5.067 3.825 304 H SER 39 H SER 39 -4.607 -8.615 5.996 305 HA SER 39 HA SER 39 -3.471 -8.187 8.639 306 HB2 SER 39 1HB SER 39 -4.088 -10.737 7.106 307 HB3 SER 39 2HB SER 39 -3.700 -10.629 8.820 308 HG SER 39 HG SER 39 -5.989 -10.756 8.260 309 H LYS 40 H LYS 40 -1.891 -8.349 5.665 310 HA LYS 40 HA LYS 40 0.140 -10.275 6.340 311 HB2 LYS 40 1HB LYS 40 -0.843 -9.542 4.019 312 HB3 LYS 40 2HB LYS 40 0.334 -8.247 4.096 313 HG2 LYS 40 1HG LYS 40 1.439 -9.946 2.873 314 HG3 LYS 40 2HG LYS 40 2.108 -10.127 4.487 315 HD2 LYS 40 1HD LYS 40 1.592 -12.343 3.795 316 HD3 LYS 40 2HD LYS 40 0.258 -11.916 4.874 317 HE2 LYS 40 1HE LYS 40 -0.824 -11.038 2.573 318 HE3 LYS 40 2HE LYS 40 0.320 -12.170 1.861 319 HZ1 LYS 40 3HZ LYS 40 -1.723 -13.308 2.236 320 HZ2 LYS 40 1HZ LYS 40 -0.722 -13.875 3.401 321 HZ3 LYS 40 2HZ LYS 40 -1.880 -12.747 3.759 322 H THR 41 H THR 41 2.259 -10.064 6.803 323 HA THR 41 HA THR 41 3.550 -7.454 7.268 324 HB THR 41 HB THR 41 4.459 -8.338 9.479 325 HG1 THR 41 1HG THR 41 2.995 -9.842 10.514 326 HG21 THR 41 3HG2 THR 41 2.638 -7.584 10.860 327 HG22 THR 41 1HG2 THR 41 2.858 -6.520 9.481 328 HG23 THR 41 2HG2 THR 41 1.501 -7.678 9.487 329 H ASN 42 H ASN 42 5.796 -7.544 7.554 330 HA ASN 42 HA ASN 42 7.254 -10.035 6.984 331 HB2 ASN 42 1HB ASN 42 7.054 -7.698 5.041 332 HB3 ASN 42 2HB ASN 42 8.479 -8.717 5.081 333 HD21 ASN 42 2HD2 ASN 42 5.656 -8.340 3.405 334 HD22 ASN 42 1HD2 ASN 42 5.444 -9.998 2.881 335 H THR 43 H THR 43 9.215 -10.043 7.982 336 HA THR 43 HA THR 43 10.071 -7.669 9.526 337 HB THR 43 HB THR 43 11.325 -10.437 9.489 338 HG1 THR 43 1HG THR 43 9.897 -10.997 11.040 339 HG21 THR 43 3HG2 THR 43 11.846 -9.836 11.878 340 HG22 THR 43 1HG2 THR 43 12.656 -8.782 10.719 341 HG23 THR 43 2HG2 THR 43 11.209 -8.203 11.578 342 H ASN 44 H ASN 44 12.091 -6.722 9.408 343 HA ASN 44 HA ASN 44 13.633 -7.106 6.873 344 HB2 ASN 44 1HB ASN 44 13.388 -4.670 8.684 345 HB3 ASN 44 2HB ASN 44 14.324 -4.760 7.196 346 HD21 ASN 44 2HD2 ASN 44 11.081 -4.660 8.540 347 HD22 ASN 44 1HD2 ASN 44 10.281 -4.175 7.026 348 H ARG 45 H ARG 45 15.921 -6.793 6.949 349 HA ARG 45 HA ARG 45 17.294 -8.249 8.974 350 HB2 ARG 45 1HB ARG 45 18.464 -6.310 6.933 351 HB3 ARG 45 2HB ARG 45 19.347 -7.553 7.831 352 HG2 ARG 45 1HG ARG 45 17.879 -9.299 6.772 353 HG3 ARG 45 2HG ARG 45 17.138 -8.020 5.788 354 HD2 ARG 45 1HD ARG 45 19.353 -7.468 4.827 355 HD3 ARG 45 2HD ARG 45 20.105 -8.747 5.780 356 HE ARG 45 HE ARG 45 18.465 -9.017 3.363 357 HH11 ARG 45 1HH1 ARG 45 19.763 -10.833 6.112 358 HH12 ARG 45 2HH1 ARG 45 19.604 -12.357 5.292 359 HH21 ARG 45 1HH2 ARG 45 18.284 -11.011 2.372 360 HH22 ARG 45 2HH2 ARG 45 18.776 -12.453 3.207 361 H ASN 46 H ASN 46 16.577 -4.859 8.777 362 HA ASN 46 HA ASN 46 18.460 -3.992 10.836 363 HB2 ASN 46 1HB ASN 46 16.069 -2.603 9.562 364 HB3 ASN 46 2HB ASN 46 17.251 -1.821 10.608 365 HD21 ASN 46 2HD2 ASN 46 16.486 -1.638 7.560 366 HD22 ASN 46 1HD2 ASN 46 18.068 -1.633 6.803 367 H GLY 47 H GLY 47 15.628 -5.784 11.157 368 HA2 GLY 47 1HA GLY 47 14.643 -6.503 13.135 369 HA3 GLY 47 2HA GLY 47 15.362 -5.141 14.025 370 H SER 48 H SER 48 13.919 -3.769 11.363 371 HA SER 48 HA SER 48 11.411 -3.054 12.755 372 HB2 SER 48 1HB SER 48 11.137 -1.530 10.830 373 HB3 SER 48 2HB SER 48 12.659 -1.280 11.688 374 HG SER 48 HG SER 48 13.161 -1.314 9.518 375 H LYS 49 H LYS 49 9.380 -3.112 11.463 376 HA LYS 49 HA LYS 49 9.173 -5.482 9.661 377 HB2 LYS 49 1HB LYS 49 8.564 -5.841 12.205 378 HB3 LYS 49 2HB LYS 49 7.096 -4.978 11.775 379 HG2 LYS 49 1HG LYS 49 6.697 -6.740 9.984 380 HG3 LYS 49 2HG LYS 49 8.100 -7.603 10.651 381 HD2 LYS 49 1HD LYS 49 6.850 -7.422 12.945 382 HD3 LYS 49 2HD LYS 49 5.451 -6.952 11.981 383 HE2 LYS 49 1HE LYS 49 5.170 -9.258 12.314 384 HE3 LYS 49 2HE LYS 49 5.791 -9.142 10.662 385 HZ1 LYS 49 3HZ LYS 49 6.911 -10.872 11.944 386 HZ2 LYS 49 1HZ LYS 49 7.993 -9.727 11.518 387 HZ3 LYS 49 2HZ LYS 49 7.424 -9.791 13.055 388 H ASP 50 H ASP 50 7.502 -5.485 8.267 389 HA ASP 50 HA ASP 50 6.382 -2.843 7.472 390 HB2 ASP 50 1HB ASP 50 6.737 -5.474 5.964 391 HB3 ASP 50 2HB ASP 50 6.064 -4.007 5.290 392 H TYR 51 H TYR 51 4.184 -2.575 7.278 393 HA TYR 51 HA TYR 51 2.373 -4.832 8.070 394 HB2 TYR 51 1HB TYR 51 2.479 -1.954 9.046 395 HB3 TYR 51 2HB TYR 51 1.209 -3.098 9.454 396 HD1 TYR 51 2HD TYR 51 4.779 -2.227 9.928 397 HD2 TYR 51 1HD TYR 51 1.525 -4.749 11.183 398 HE1 TYR 51 2HE TYR 51 6.059 -2.867 11.944 399 HE2 TYR 51 1HE TYR 51 2.791 -5.385 13.225 400 HH TYR 51 HH TYR 51 4.733 -5.098 14.437 401 H GLY 52 H GLY 52 0.251 -4.803 7.409 402 HA2 GLY 52 1HA GLY 52 -1.715 -3.986 6.503 403 HA3 GLY 52 2HA GLY 52 -0.910 -2.461 6.103 404 H LEU 53 H LEU 53 -1.987 -2.407 4.148 405 HA LEU 53 HA LEU 53 -1.643 -4.598 2.261 406 HB2 LEU 53 1HB LEU 53 -3.705 -2.853 2.750 407 HB3 LEU 53 2HB LEU 53 -2.864 -1.927 1.518 408 HG LEU 53 HG LEU 53 -2.902 -4.286 0.223 409 HD11 LEU 53 1HD1 LEU 53 -3.883 -5.499 2.101 410 HD12 LEU 53 2HD1 LEU 53 -5.313 -4.437 2.063 411 HD13 LEU 53 3HD1 LEU 53 -4.983 -5.501 0.702 412 HD21 LEU 53 3HD2 LEU 53 -5.017 -3.717 -0.819 413 HD22 LEU 53 1HD2 LEU 53 -5.340 -2.507 0.455 414 HD23 LEU 53 2HD2 LEU 53 -3.970 -2.286 -0.662 415 H PHE 54 H PHE 54 -0.065 -1.614 2.795 416 HA PHE 54 HA PHE 54 1.407 -1.772 0.198 417 HB2 PHE 54 1HB PHE 54 0.995 0.590 2.072 418 HB3 PHE 54 2HB PHE 54 1.880 0.625 0.562 419 HD1 PHE 54 2HD PHE 54 -1.504 0.273 2.053 420 HD2 PHE 54 1HD PHE 54 0.763 0.893 -1.556 421 HE1 PHE 54 2HE PHE 54 -3.574 0.929 0.881 422 HE2 PHE 54 1HE PHE 54 -1.312 1.589 -2.722 423 HZ PHE 54 HZ PHE 54 -3.487 1.593 -1.523 424 H GLN 55 H GLN 55 1.800 -3.058 3.041 425 HA GLN 55 HA GLN 55 3.434 -3.619 4.453 426 HB2 GLN 55 1HB GLN 55 4.556 -3.675 1.661 427 HB3 GLN 55 2HB GLN 55 5.734 -3.910 2.941 428 HG2 GLN 55 1HG GLN 55 4.716 -6.029 2.018 429 HG3 GLN 55 2HG GLN 55 4.678 -5.845 3.774 430 HE21 GLN 55 2HE2 GLN 55 2.766 -6.679 4.563 431 HE22 GLN 55 1HE2 GLN 55 1.207 -6.207 3.900 432 H ILE 56 H ILE 56 2.990 -1.289 5.236 433 HA ILE 56 HA ILE 56 5.121 0.676 4.778 434 HB ILE 56 HB ILE 56 2.731 0.903 6.649 435 HG12 ILE 56 1HG1 ILE 56 2.971 1.526 3.661 436 HG13 ILE 56 2HG1 ILE 56 1.873 0.338 4.394 437 HG21 ILE 56 1HG2 ILE 56 4.579 2.532 6.905 438 HG22 ILE 56 2HG2 ILE 56 4.357 3.028 5.211 439 HG23 ILE 56 3HG2 ILE 56 3.067 3.277 6.416 440 HD11 ILE 56 3HD1 ILE 56 0.513 2.152 3.813 441 HD12 ILE 56 1HD1 ILE 56 0.752 2.332 5.566 442 HD13 ILE 56 2HD1 ILE 56 1.678 3.333 4.412 443 H ASN 57 H ASN 57 6.765 1.171 6.152 444 HA ASN 57 HA ASN 57 7.260 -0.822 8.231 445 HB2 ASN 57 1HB ASN 57 8.838 -0.370 6.391 446 HB3 ASN 57 2HB ASN 57 9.081 1.265 7.028 447 HD21 ASN 57 2HD2 ASN 57 9.848 -2.128 7.412 448 HD22 ASN 57 1HD2 ASN 57 11.037 -1.890 8.701 449 H ASP 58 H ASP 58 7.512 -0.529 10.300 450 HA ASP 58 HA ASP 58 6.372 1.630 11.675 451 HB2 ASP 58 1HB ASP 58 6.872 0.482 13.636 452 HB3 ASP 58 2HB ASP 58 6.618 -0.765 12.426 453 H ARG 59 H ARG 59 9.548 1.628 10.451 454 HA ARG 59 HA ARG 59 10.733 3.312 12.546 455 HB2 ARG 59 1HB ARG 59 11.847 1.427 11.287 456 HB3 ARG 59 2HB ARG 59 11.890 2.484 9.866 457 HG2 ARG 59 1HG ARG 59 13.319 4.079 11.041 458 HG3 ARG 59 2HG ARG 59 13.088 3.209 12.570 459 HD2 ARG 59 1HD ARG 59 14.174 1.196 11.508 460 HD3 ARG 59 2HD ARG 59 14.523 2.180 10.087 461 HE ARG 59 HE ARG 59 15.523 2.647 12.870 462 HH11 ARG 59 1HH1 ARG 59 16.063 3.178 9.395 463 HH12 ARG 59 2HH1 ARG 59 17.627 3.886 9.670 464 HH21 ARG 59 1HH2 ARG 59 17.555 3.549 13.121 465 HH22 ARG 59 2HH2 ARG 59 18.450 4.101 11.739 466 H TYR 60 H TYR 60 8.928 3.904 9.646 467 HA TYR 60 HA TYR 60 10.107 6.664 9.356 468 HB2 TYR 60 1HB TYR 60 9.203 4.748 7.188 469 HB3 TYR 60 2HB TYR 60 9.905 6.326 6.931 470 HD1 TYR 60 1HD TYR 60 12.303 6.438 8.579 471 HD2 TYR 60 2HD TYR 60 10.610 3.034 6.542 472 HE1 TYR 60 1HE TYR 60 14.524 5.328 8.587 473 HE2 TYR 60 2HE TYR 60 12.826 1.920 6.551 474 HH TYR 60 HH TYR 60 15.042 2.080 7.141 475 H TRP 61 H TRP 61 7.196 4.788 8.386 476 HA TRP 61 HA TRP 61 5.771 7.381 7.971 477 HB2 TRP 61 1HB TRP 61 5.146 4.632 6.925 478 HB3 TRP 61 2HB TRP 61 4.486 6.130 6.340 479 HD1 TRP 61 HD TRP 61 6.929 3.617 5.519 480 HE1 TRP 61 1HE TRP 61 8.607 4.392 3.743 481 HE3 TRP 61 3HE TRP 61 5.993 8.654 5.661 482 HZ2 TRP 61 2HZ TRP 61 9.346 6.856 2.442 483 HZ3 TRP 61 3HZ TRP 61 7.158 10.183 4.105 484 HH2 TRP 61 HH TRP 61 8.836 9.304 2.491 485 H CYS 62 H CYS 62 5.061 4.058 9.147 486 HA CYS 62 HA CYS 62 2.936 5.106 10.959 487 HB2 CYS 62 1HB CYS 62 2.412 2.683 11.267 488 HB3 CYS 62 2HB CYS 62 2.093 3.324 9.662 489 H SER 63 H SER 63 2.874 3.944 13.125 490 HA SER 63 HA SER 63 5.615 3.423 14.224 491 HB2 SER 63 1HB SER 63 4.214 5.644 14.801 492 HB3 SER 63 2HB SER 63 3.440 4.550 15.936 493 HG SER 63 HG SER 63 5.284 5.449 16.932 494 H LYS 64 H LYS 64 5.854 1.766 15.648 495 HA LYS 64 HA LYS 64 3.691 -0.245 15.742 496 HB2 LYS 64 1HB LYS 64 5.412 -1.763 16.548 497 HB3 LYS 64 2HB LYS 64 5.829 -1.036 15.007 498 HG2 LYS 64 1HG LYS 64 7.541 0.278 15.919 499 HG3 LYS 64 2HG LYS 64 6.819 0.324 17.525 500 HD2 LYS 64 1HD LYS 64 7.377 -1.951 17.982 501 HD3 LYS 64 2HD LYS 64 8.029 -2.210 16.344 502 HE2 LYS 64 1HE LYS 64 9.024 0.068 18.053 503 HE3 LYS 64 2HE LYS 64 9.602 -1.567 18.420 504 HZ1 LYS 64 3HZ LYS 64 11.054 -0.333 16.840 505 HZ2 LYS 64 1HZ LYS 64 10.506 -1.743 16.222 506 HZ3 LYS 64 2HZ LYS 64 9.849 -0.338 15.721 507 H GLY 65 H GLY 65 4.726 2.170 17.860 508 HA2 GLY 65 1HA GLY 65 4.351 0.778 20.402 509 HA3 GLY 65 2HA GLY 65 4.519 2.522 20.155 510 H ALA 66 H ALA 66 2.814 2.194 21.979 511 HA ALA 66 HA ALA 66 0.244 1.136 21.404 512 HB1 ALA 66 1HB ALA 66 1.261 1.305 23.652 513 HB2 ALA 66 2HB ALA 66 1.128 3.080 23.585 514 HB3 ALA 66 3HB ALA 66 -0.334 2.073 23.610 515 H SER 67 H SER 67 1.347 3.897 19.981 516 HA SER 67 HA SER 67 -1.284 5.149 19.594 517 HB2 SER 67 1HB SER 67 -0.427 6.037 21.765 518 HB3 SER 67 2HB SER 67 1.026 6.615 20.934 519 HG SER 67 HG SER 67 -0.589 8.256 21.183 520 HA PRO 68 HA PRO 68 0.814 5.986 15.685 521 HB2 PRO 68 1HB PRO 68 -0.666 8.120 14.728 522 HB3 PRO 68 2HB PRO 68 -1.275 6.438 14.755 523 HG2 PRO 68 1HG PRO 68 -1.782 8.615 16.793 524 HG3 PRO 68 2HG PRO 68 -2.976 7.545 15.986 525 HD2 PRO 68 1HD PRO 68 -2.048 6.957 18.438 526 HD3 PRO 68 2HD PRO 68 -2.261 5.656 17.234 527 H GLY 69 H GLY 69 2.389 7.570 14.804 528 HA2 GLY 69 1HA GLY 69 2.897 10.128 15.932 529 HA3 GLY 69 2HA GLY 69 3.680 8.962 16.971 530 H LYS 70 H LYS 70 3.532 8.715 13.405 531 HA LYS 70 HA LYS 70 6.321 9.738 13.198 532 HB2 LYS 70 1HB LYS 70 5.384 7.122 11.959 533 HB3 LYS 70 2HB LYS 70 6.849 7.995 11.498 534 HG2 LYS 70 1HG LYS 70 7.297 7.960 14.139 535 HG3 LYS 70 2HG LYS 70 6.243 6.543 14.031 536 HD2 LYS 70 1HD LYS 70 7.837 5.517 12.415 537 HD3 LYS 70 2HD LYS 70 8.777 7.012 12.403 538 HE2 LYS 70 1HE LYS 70 9.931 5.501 13.850 539 HE3 LYS 70 2HE LYS 70 9.211 6.765 14.852 540 HZ1 LYS 70 3HZ LYS 70 8.858 4.580 15.817 541 HZ2 LYS 70 1HZ LYS 70 7.397 5.172 15.377 542 HZ3 LYS 70 2HZ LYS 70 8.141 4.032 14.449 543 H ASP 71 H ASP 71 6.552 9.476 10.397 544 HA ASP 71 HA ASP 71 5.717 12.059 9.797 545 HB2 ASP 71 1HB ASP 71 7.561 10.763 8.715 546 HB3 ASP 71 2HB ASP 71 6.353 9.885 7.773 547 H CYS 72 H CYS 72 3.897 9.091 9.084 548 HA CYS 72 HA CYS 72 1.779 10.691 7.711 549 HB2 CYS 72 1HB CYS 72 2.227 7.710 7.854 550 HB3 CYS 72 2HB CYS 72 0.932 8.525 6.977 551 H ASN 73 H ASN 73 2.409 10.051 10.843 552 HA ASN 73 HA ASN 73 1.207 10.054 12.730 553 HB2 ASN 73 1HB ASN 73 0.704 12.234 11.573 554 HB3 ASN 73 2HB ASN 73 -0.836 11.556 11.039 555 HD21 ASN 73 2HD2 ASN 73 1.118 12.052 14.065 556 HD22 ASN 73 1HD2 ASN 73 -0.277 12.412 15.063 557 H VAL 74 H VAL 74 1.047 7.644 11.766 558 HA VAL 74 HA VAL 74 -1.637 6.617 12.442 559 HB VAL 74 HB VAL 74 -1.604 7.039 10.002 560 HG11 VAL 74 1HG1 VAL 74 0.807 6.627 9.540 561 HG12 VAL 74 2HG1 VAL 74 0.552 4.897 9.847 562 HG13 VAL 74 3HG1 VAL 74 -0.257 5.684 8.484 563 HG21 VAL 74 3HG2 VAL 74 -2.530 4.934 9.324 564 HG22 VAL 74 1HG2 VAL 74 -1.711 4.071 10.637 565 HG23 VAL 74 2HG2 VAL 74 -2.999 5.245 11.004 566 H LYS 75 H LYS 75 -1.662 4.401 12.985 567 HA LYS 75 HA LYS 75 0.894 3.458 14.193 568 HB2 LYS 75 1HB LYS 75 -1.095 4.159 15.538 569 HB3 LYS 75 2HB LYS 75 -2.002 2.813 14.835 570 HG2 LYS 75 1HG LYS 75 -0.378 1.236 15.892 571 HG3 LYS 75 2HG LYS 75 0.490 2.637 16.585 572 HD2 LYS 75 1HD LYS 75 -1.309 3.201 18.013 573 HD3 LYS 75 2HD LYS 75 -2.496 2.333 17.045 574 HE2 LYS 75 1HE LYS 75 -1.520 0.165 17.752 575 HE3 LYS 75 2HE LYS 75 -0.372 1.023 18.779 576 HZ1 LYS 75 3HZ LYS 75 -2.334 0.285 20.023 577 HZ2 LYS 75 1HZ LYS 75 -2.261 1.920 20.039 578 HZ3 LYS 75 2HZ LYS 75 -3.328 1.151 19.063 579 H CYS 76 H CYS 76 1.727 1.473 13.652 580 HA CYS 76 HA CYS 76 1.209 0.118 11.279 581 HB2 CYS 76 1HB CYS 76 2.285 -1.021 13.894 582 HB3 CYS 76 2HB CYS 76 2.477 -1.747 12.305 583 H SER 77 H SER 77 -0.323 -0.549 14.434 584 HA SER 77 HA SER 77 -1.677 -2.969 13.613 585 HB2 SER 77 1HB SER 77 -1.106 -2.256 15.967 586 HB3 SER 77 2HB SER 77 -2.450 -1.102 15.875 587 HG SER 77 HG SER 77 -3.051 -3.140 16.823 588 H ASP 78 H ASP 78 -2.641 0.484 13.384 589 HA ASP 78 HA ASP 78 -5.396 -0.073 12.627 590 HB2 ASP 78 1HB ASP 78 -3.589 2.351 12.643 591 HB3 ASP 78 2HB ASP 78 -5.037 2.376 11.665 592 H LEU 79 H LEU 79 -2.411 -0.503 10.987 593 HA LEU 79 HA LEU 79 -3.594 -0.239 8.294 594 HB2 LEU 79 1HB LEU 79 -0.942 -1.530 8.976 595 HB3 LEU 79 2HB LEU 79 -1.477 -0.831 7.455 596 HG LEU 79 HG LEU 79 -0.707 0.673 9.984 597 HD11 LEU 79 1HD1 LEU 79 1.167 -0.167 8.674 598 HD12 LEU 79 2HD1 LEU 79 0.474 0.510 7.185 599 HD13 LEU 79 3HD1 LEU 79 1.051 1.588 8.471 600 HD21 LEU 79 3HD2 LEU 79 -1.032 2.756 8.656 601 HD22 LEU 79 1HD2 LEU 79 -1.780 1.788 7.376 602 HD23 LEU 79 2HD2 LEU 79 -2.561 1.921 8.963 603 H LEU 80 H LEU 80 -3.592 -2.608 10.754 604 HA LEU 80 HA LEU 80 -3.848 -4.904 8.909 605 HB2 LEU 80 1HB LEU 80 -3.768 -4.860 11.940 606 HB3 LEU 80 2HB LEU 80 -3.645 -6.276 10.905 607 HG LEU 80 HG LEU 80 -1.590 -4.047 11.112 608 HD11 LEU 80 1HD1 LEU 80 -1.730 -5.509 13.103 609 HD12 LEU 80 2HD1 LEU 80 -1.539 -6.943 12.070 610 HD13 LEU 80 3HD1 LEU 80 -0.215 -5.772 12.227 611 HD21 LEU 80 3HD2 LEU 80 -0.127 -5.555 9.760 612 HD22 LEU 80 1HD2 LEU 80 -1.521 -6.615 9.473 613 HD23 LEU 80 2HD2 LEU 80 -1.512 -4.945 8.856 614 H THR 81 H THR 81 -5.990 -2.705 9.649 615 HA THR 81 HA THR 81 -8.167 -4.344 10.770 616 HB THR 81 HB THR 81 -7.561 -2.076 11.588 617 HG1 THR 81 1HG THR 81 -9.722 -1.578 11.904 618 HG21 THR 81 3HG2 THR 81 -8.165 -0.107 10.474 619 HG22 THR 81 1HG2 THR 81 -7.340 -1.044 9.225 620 HG23 THR 81 2HG2 THR 81 -9.112 -0.960 9.230 621 H ASP 82 H ASP 82 -10.411 -3.421 9.709 622 HA ASP 82 HA ASP 82 -10.485 -4.997 7.229 623 HB2 ASP 82 1HB ASP 82 -12.794 -5.218 7.613 624 HB3 ASP 82 2HB ASP 82 -12.003 -5.386 9.176 625 H ASP 83 H ASP 83 -10.143 -1.791 7.749 626 HA ASP 83 HA ASP 83 -11.046 -1.163 4.969 627 HB2 ASP 83 1HB ASP 83 -12.466 0.012 6.673 628 HB3 ASP 83 2HB ASP 83 -11.026 0.873 7.218 629 H ILE 84 H ILE 84 -9.452 -0.712 3.702 630 HA ILE 84 HA ILE 84 -6.705 -0.725 4.549 631 HB ILE 84 HB ILE 84 -6.165 -0.611 2.231 632 HG12 ILE 84 1HG1 ILE 84 -9.022 0.306 1.671 633 HG13 ILE 84 2HG1 ILE 84 -7.583 1.323 1.647 634 HG21 ILE 84 1HG2 ILE 84 -7.352 -2.701 3.047 635 HG22 ILE 84 2HG2 ILE 84 -8.836 -2.089 2.317 636 HG23 ILE 84 3HG2 ILE 84 -7.437 -2.462 1.305 637 HD11 ILE 84 3HD1 ILE 84 -8.190 0.798 -0.592 638 HD12 ILE 84 1HD1 ILE 84 -6.629 0.031 -0.194 639 HD13 ILE 84 2HD1 ILE 84 -8.124 -0.943 -0.275 640 H THR 85 H THR 85 -8.915 1.868 4.435 641 HA THR 85 HA THR 85 -7.591 3.985 3.285 642 HB THR 85 HB THR 85 -9.896 3.963 3.977 643 HG1 THR 85 1HG THR 85 -9.954 6.120 4.473 644 HG21 THR 85 3HG2 THR 85 -10.622 4.508 6.194 645 HG22 THR 85 1HG2 THR 85 -9.571 3.091 6.327 646 HG23 THR 85 2HG2 THR 85 -8.952 4.697 6.774 647 H LYS 86 H LYS 86 -7.003 2.911 6.634 648 HA LYS 86 HA LYS 86 -5.320 5.136 7.337 649 HB2 LYS 86 1HB LYS 86 -5.523 2.294 8.390 650 HB3 LYS 86 2HB LYS 86 -4.489 3.520 9.114 651 HG2 LYS 86 1HG LYS 86 -6.173 4.414 10.262 652 HG3 LYS 86 2HG LYS 86 -7.116 4.697 8.797 653 HD2 LYS 86 1HD LYS 86 -7.940 2.354 8.877 654 HD3 LYS 86 2HD LYS 86 -7.057 2.097 10.385 655 HE2 LYS 86 1HE LYS 86 -9.280 4.147 9.972 656 HE3 LYS 86 2HE LYS 86 -9.484 2.557 10.712 657 HZ1 LYS 86 3HZ LYS 86 -9.217 4.191 12.427 658 HZ2 LYS 86 1HZ LYS 86 -7.874 3.253 12.447 659 HZ3 LYS 86 2HZ LYS 86 -7.821 4.755 11.799 660 H ALA 87 H ALA 87 -4.643 2.225 5.490 661 HA ALA 87 HA ALA 87 -1.722 2.783 5.386 662 HB1 ALA 87 1HB ALA 87 -2.688 0.420 5.605 663 HB2 ALA 87 2HB ALA 87 -3.341 0.612 3.962 664 HB3 ALA 87 3HB ALA 87 -1.583 0.670 4.247 665 H ALA 88 H ALA 88 -4.612 2.823 3.303 666 HA ALA 88 HA ALA 88 -3.284 3.458 0.892 667 HB1 ALA 88 1HB ALA 88 -5.599 2.487 1.251 668 HB2 ALA 88 2HB ALA 88 -6.158 4.130 1.655 669 HB3 ALA 88 3HB ALA 88 -5.507 3.762 0.048 670 H LYS 89 H LYS 89 -4.778 5.720 3.278 671 HA LYS 89 HA LYS 89 -4.091 8.099 1.763 672 HB2 LYS 89 1HB LYS 89 -4.792 7.599 4.672 673 HB3 LYS 89 2HB LYS 89 -4.516 9.212 3.992 674 HG2 LYS 89 1HG LYS 89 -6.338 8.905 2.375 675 HG3 LYS 89 2HG LYS 89 -6.636 7.261 2.970 676 HD2 LYS 89 1HD LYS 89 -7.248 8.120 5.178 677 HD3 LYS 89 2HD LYS 89 -6.873 9.785 4.669 678 HE2 LYS 89 1HE LYS 89 -8.621 9.667 2.926 679 HE3 LYS 89 2HE LYS 89 -8.967 7.990 3.365 680 HZ1 LYS 89 3HZ LYS 89 -10.542 9.512 4.400 681 HZ2 LYS 89 1HZ LYS 89 -9.658 8.777 5.562 682 HZ3 LYS 89 2HZ LYS 89 -9.345 10.331 5.153 683 H CYS 90 H CYS 90 -2.345 6.195 4.176 684 HA CYS 90 HA CYS 90 -0.080 8.011 4.466 685 HB2 CYS 90 1HB CYS 90 -0.577 6.401 6.164 686 HB3 CYS 90 2HB CYS 90 -0.528 5.057 5.020 687 H ALA 91 H ALA 91 -0.802 5.250 2.288 688 HA ALA 91 HA ALA 91 1.620 5.294 0.822 689 HB1 ALA 91 1HB ALA 91 -0.073 3.484 0.790 690 HB2 ALA 91 2HB ALA 91 -1.179 4.538 -0.104 691 HB3 ALA 91 3HB ALA 91 0.350 4.037 -0.846 692 H LYS 92 H LYS 92 -1.390 7.306 0.261 693 HA LYS 92 HA LYS 92 -0.322 8.636 -2.019 694 HB2 LYS 92 1HB LYS 92 -2.057 10.010 0.042 695 HB3 LYS 92 2HB LYS 92 -1.892 10.365 -1.676 696 HG2 LYS 92 1HG LYS 92 -3.338 8.090 -0.351 697 HG3 LYS 92 2HG LYS 92 -4.007 9.363 -1.321 698 HD2 LYS 92 1HD LYS 92 -2.292 7.043 -2.292 699 HD3 LYS 92 2HD LYS 92 -4.029 7.243 -2.484 700 HE2 LYS 92 1HE LYS 92 -3.867 8.923 -4.091 701 HE3 LYS 92 2HE LYS 92 -2.190 9.324 -3.662 702 HZ1 LYS 92 3HZ LYS 92 -2.293 8.062 -5.713 703 HZ2 LYS 92 1HZ LYS 92 -1.527 7.169 -4.568 704 HZ3 LYS 92 2HZ LYS 92 -3.070 6.814 -4.968 705 H LYS 93 H LYS 93 0.111 9.438 1.459 706 HA LYS 93 HA LYS 93 1.672 11.793 0.936 707 HB2 LYS 93 1HB LYS 93 0.476 11.288 3.078 708 HB3 LYS 93 2HB LYS 93 1.734 10.096 3.460 709 HG2 LYS 93 1HG LYS 93 3.457 11.860 3.409 710 HG3 LYS 93 2HG LYS 93 2.265 13.041 2.842 711 HD2 LYS 93 1HD LYS 93 1.047 12.792 5.015 712 HD3 LYS 93 2HD LYS 93 2.338 11.692 5.569 713 HE2 LYS 93 1HE LYS 93 4.026 13.461 5.195 714 HE3 LYS 93 2HE LYS 93 2.771 14.558 4.599 715 HZ1 LYS 93 3HZ LYS 93 3.282 15.014 6.904 716 HZ2 LYS 93 1HZ LYS 93 1.750 14.449 6.822 717 HZ3 LYS 93 2HZ LYS 93 2.966 13.476 7.352 718 H ILE 94 H ILE 94 2.622 8.404 1.014 719 HA ILE 94 HA ILE 94 5.496 8.999 0.771 720 HB ILE 94 HB ILE 94 3.921 6.483 0.086 721 HG12 ILE 94 1HG1 ILE 94 5.727 7.026 2.478 722 HG13 ILE 94 2HG1 ILE 94 3.989 7.223 2.559 723 HG21 ILE 94 1HG2 ILE 94 5.992 6.590 -1.205 724 HG22 ILE 94 2HG2 ILE 94 6.909 7.082 0.230 725 HG23 ILE 94 3HG2 ILE 94 6.227 5.438 0.107 726 HD11 ILE 94 3HD1 ILE 94 4.511 5.080 3.476 727 HD12 ILE 94 1HD1 ILE 94 3.687 4.818 1.930 728 HD13 ILE 94 2HD1 ILE 94 5.452 4.610 2.051 729 H TYR 95 H TYR 95 2.897 8.202 -1.579 730 HA TYR 95 HA TYR 95 4.431 8.316 -3.910 731 HB2 TYR 95 1HB TYR 95 2.448 7.386 -4.293 732 HB3 TYR 95 2HB TYR 95 1.571 8.421 -3.186 733 HD1 TYR 95 2HD TYR 95 0.955 10.802 -3.896 734 HD2 TYR 95 1HD TYR 95 2.206 7.722 -6.641 735 HE1 TYR 95 2HE TYR 95 -0.073 12.061 -5.773 736 HE2 TYR 95 1HE TYR 95 1.222 9.003 -8.528 737 HH TYR 95 HH TYR 95 -0.469 12.131 -8.043 738 H LYS 96 H LYS 96 3.214 11.044 -2.080 739 HA LYS 96 HA LYS 96 3.689 13.202 -3.863 740 HB2 LYS 96 1HB LYS 96 3.948 12.798 -0.865 741 HB3 LYS 96 2HB LYS 96 4.299 14.364 -1.603 742 HG2 LYS 96 1HG LYS 96 2.026 14.431 -2.605 743 HG3 LYS 96 2HG LYS 96 1.628 12.911 -1.792 744 HD2 LYS 96 1HD LYS 96 2.136 14.007 0.413 745 HD3 LYS 96 2HD LYS 96 2.402 15.535 -0.426 746 HE2 LYS 96 1HE LYS 96 -0.208 13.938 -0.494 747 HE3 LYS 96 2HE LYS 96 0.118 15.265 0.624 748 HZ1 LYS 96 3HZ LYS 96 -1.106 16.051 -1.293 749 HZ2 LYS 96 1HZ LYS 96 0.371 16.743 -1.291 750 HZ3 LYS 96 2HZ LYS 96 0.037 15.525 -2.332 751 H ARG 97 H ARG 97 6.056 11.203 -2.180 752 HA ARG 97 HA ARG 97 8.314 12.925 -3.159 753 HB2 ARG 97 1HB ARG 97 8.262 10.820 -0.957 754 HB3 ARG 97 2HB ARG 97 9.658 11.775 -1.437 755 HG2 ARG 97 1HG ARG 97 7.096 12.816 -0.149 756 HG3 ARG 97 2HG ARG 97 8.666 12.640 0.619 757 HD2 ARG 97 1HD ARG 97 7.975 14.570 -1.640 758 HD3 ARG 97 2HD ARG 97 8.193 14.992 0.049 759 HE ARG 97 HE ARG 97 10.262 14.494 -1.944 760 HH11 ARG 97 1HH1 ARG 97 9.713 14.593 1.553 761 HH12 ARG 97 2HH1 ARG 97 11.397 14.858 1.896 762 HH21 ARG 97 1HH2 ARG 97 12.411 14.821 -1.427 763 HH22 ARG 97 2HH2 ARG 97 12.897 14.982 0.232 764 H HIS 98 H HIS 98 7.066 9.611 -3.025 765 HA HIS 98 HA HIS 98 8.805 8.775 -5.308 766 HB2 HIS 98 1HB HIS 98 8.514 7.389 -2.615 767 HB3 HIS 98 2HB HIS 98 9.324 6.701 -4.021 768 HD2 HIS 98 2HD HIS 98 9.981 8.750 -0.988 769 HE1 HIS 98 1HE HIS 98 13.412 9.336 -3.439 770 HE2 HIS 98 2HE HIS 98 12.444 9.673 -1.106 771 H ARG 99 H ARG 99 6.908 8.834 -6.616 772 HA ARG 99 HA ARG 99 4.391 8.034 -6.049 773 HB2 ARG 99 1HB ARG 99 3.888 7.891 -8.326 774 HB3 ARG 99 2HB ARG 99 4.840 9.305 -7.879 775 HG2 ARG 99 1HG ARG 99 6.883 8.224 -8.852 776 HG3 ARG 99 2HG ARG 99 5.878 6.822 -9.332 777 HD2 ARG 99 1HD ARG 99 4.348 8.352 -10.503 778 HD3 ARG 99 2HD ARG 99 5.384 9.720 -10.068 779 HE ARG 99 HE ARG 99 7.024 7.833 -11.395 780 HH11 ARG 99 1HH1 ARG 99 4.309 9.916 -12.296 781 HH12 ARG 99 2HH1 ARG 99 4.808 10.000 -13.959 782 HH21 ARG 99 1HH2 ARG 99 7.611 7.986 -13.554 783 HH22 ARG 99 2HH2 ARG 99 6.652 8.925 -14.657 784 H PHE 100 H PHE 100 6.831 5.816 -7.378 785 HA PHE 100 HA PHE 100 5.368 3.527 -6.165 786 HB2 PHE 100 1HB PHE 100 6.565 3.455 -8.951 787 HB3 PHE 100 2HB PHE 100 5.752 2.149 -8.098 788 HD1 PHE 100 1HD PHE 100 3.273 2.685 -7.276 789 HD2 PHE 100 2HD PHE 100 5.287 4.656 -10.539 790 HE1 PHE 100 1HE PHE 100 1.090 3.354 -8.217 791 HE2 PHE 100 2HE PHE 100 3.092 5.336 -11.475 792 HZ PHE 100 HZ PHE 100 0.988 4.691 -10.313 793 H ASP 101 H ASP 101 8.323 5.197 -6.594 794 HA ASP 101 HA ASP 101 10.154 3.020 -6.682 795 HB2 ASP 101 1HB ASP 101 10.533 5.308 -7.564 796 HB3 ASP 101 2HB ASP 101 10.567 5.937 -5.918 797 H ALA 102 H ALA 102 8.486 4.358 -3.979 798 HA ALA 102 HA ALA 102 10.380 3.607 -1.896 799 HB1 ALA 102 1HB ALA 102 8.744 5.386 -1.547 800 HB2 ALA 102 2HB ALA 102 7.401 4.250 -1.832 801 HB3 ALA 102 3HB ALA 102 8.446 4.066 -0.410 802 H TRP 103 H TRP 103 8.455 1.723 -3.947 803 HA TRP 103 HA TRP 103 8.312 -0.560 -2.015 804 HB2 TRP 103 1HB TRP 103 6.521 0.216 -4.348 805 HB3 TRP 103 2HB TRP 103 6.413 -1.309 -3.482 806 HD1 TRP 103 HD TRP 103 5.617 -1.258 -0.942 807 HE1 TRP 103 1HE TRP 103 4.097 0.320 0.343 808 HE3 TRP 103 3HE TRP 103 5.863 2.791 -4.059 809 HZ2 TRP 103 2HZ TRP 103 2.966 2.979 -0.013 810 HZ3 TRP 103 3HZ TRP 103 4.546 4.832 -3.571 811 HH2 TRP 103 HH TRP 103 3.057 4.920 -1.578 812 H TYR 104 H TYR 104 8.939 -2.526 -2.572 813 HA TYR 104 HA TYR 104 10.972 -2.617 -4.700 814 HB2 TYR 104 1HB TYR 104 11.357 -3.271 -2.279 815 HB3 TYR 104 2HB TYR 104 10.342 -4.682 -2.568 816 HD1 TYR 104 2HD TYR 104 13.410 -2.885 -3.643 817 HD2 TYR 104 1HD TYR 104 11.256 -6.611 -3.720 818 HE1 TYR 104 2HE TYR 104 15.411 -4.017 -4.638 819 HE2 TYR 104 1HE TYR 104 13.241 -7.753 -4.704 820 HH TYR 104 HH TYR 104 15.411 -7.518 -5.443 821 H GLY 105 H GLY 105 7.850 -4.141 -3.942 822 HA2 GLY 105 1HA GLY 105 8.027 -6.292 -5.824 823 HA3 GLY 105 2HA GLY 105 6.535 -5.611 -5.124 824 H TRP 106 H TRP 106 6.881 -2.941 -6.189 825 HA TRP 106 HA TRP 106 5.774 -3.259 -8.797 826 HB2 TRP 106 1HB TRP 106 5.178 -1.396 -7.447 827 HB3 TRP 106 2HB TRP 106 6.848 -0.869 -7.283 828 HD1 TRP 106 HD TRP 106 3.907 -0.744 -9.708 829 HE1 TRP 106 1HE TRP 106 4.435 0.858 -11.639 830 HE3 TRP 106 3HE TRP 106 8.790 0.238 -8.580 831 HZ2 TRP 106 2HZ TRP 106 6.727 2.404 -12.563 832 HZ3 TRP 106 3HZ TRP 106 10.146 1.719 -10.005 833 HH2 TRP 106 HH TRP 106 9.126 2.828 -12.003 834 H LYS 107 H LYS 107 9.095 -2.350 -7.800 835 HA LYS 107 HA LYS 107 10.029 -2.315 -10.581 836 HB2 LYS 107 1HB LYS 107 12.256 -1.932 -9.597 837 HB3 LYS 107 2HB LYS 107 11.026 -0.762 -9.131 838 HG2 LYS 107 1HG LYS 107 10.753 -1.882 -6.952 839 HG3 LYS 107 2HG LYS 107 11.969 -3.092 -7.411 840 HD2 LYS 107 1HD LYS 107 12.977 -1.474 -5.941 841 HD3 LYS 107 2HD LYS 107 13.665 -1.262 -7.559 842 HE2 LYS 107 1HE LYS 107 12.163 0.657 -7.968 843 HE3 LYS 107 2HE LYS 107 11.372 0.407 -6.404 844 HZ1 LYS 107 3HZ LYS 107 13.093 2.169 -6.430 845 HZ2 LYS 107 1HZ LYS 107 13.394 1.016 -5.300 846 HZ3 LYS 107 2HZ LYS 107 14.250 1.054 -6.703 847 H ASN 108 H ASN 108 9.405 -4.863 -8.410 848 HA ASN 108 HA ASN 108 11.321 -6.718 -9.623 849 HB2 ASN 108 1HB ASN 108 10.664 -6.859 -7.239 850 HB3 ASN 108 2HB ASN 108 9.010 -7.249 -7.725 851 HD21 ASN 108 2HD2 ASN 108 12.393 -8.421 -7.751 852 HD22 ASN 108 1HD2 ASN 108 11.961 -10.101 -8.016 853 H HIS 109 H HIS 109 7.778 -6.087 -9.979 854 HA HIS 109 HA HIS 109 7.876 -7.780 -12.437 855 HB2 HIS 109 1HB HIS 109 6.430 -9.323 -11.757 856 HB3 HIS 109 2HB HIS 109 7.109 -8.944 -10.188 857 HD2 HIS 109 2HD HIS 109 5.342 -6.401 -9.373 858 HE1 HIS 109 1HE HIS 109 1.966 -8.876 -10.093 859 HE2 HIS 109 2HE HIS 109 2.778 -6.747 -8.954 860 H CYS 110 H CYS 110 6.530 -4.826 -11.212 861 HA CYS 110 HA CYS 110 4.320 -4.771 -13.146 862 HB2 CYS 110 1HB CYS 110 5.535 -2.509 -11.524 863 HB3 CYS 110 2HB CYS 110 4.046 -2.448 -12.428 864 H GLN 111 H GLN 111 7.622 -4.469 -13.601 865 HA GLN 111 HA GLN 111 7.639 -2.255 -15.503 866 HB2 GLN 111 1HB GLN 111 9.787 -4.353 -14.991 867 HB3 GLN 111 2HB GLN 111 9.994 -2.774 -15.744 868 HG2 GLN 111 1HG GLN 111 9.366 -3.349 -12.817 869 HG3 GLN 111 2HG GLN 111 10.860 -2.714 -13.478 870 HE21 GLN 111 2HE2 GLN 111 8.092 -1.758 -11.836 871 HE22 GLN 111 1HE2 GLN 111 8.149 -0.064 -12.306 872 H GLY 112 H GLY 112 7.172 -5.734 -15.782 873 HA2 GLY 112 1HA GLY 112 7.772 -5.799 -18.674 874 HA3 GLY 112 2HA GLY 112 7.258 -7.150 -17.638 875 H SER 113 H SER 113 4.888 -5.948 -16.576 876 HA SER 113 HA SER 113 3.062 -5.090 -18.630 877 HB2 SER 113 1HB SER 113 3.454 -7.512 -19.297 878 HB3 SER 113 2HB SER 113 2.759 -7.984 -17.740 879 HG SER 113 HG SER 113 1.210 -7.944 -19.478 880 H LEU 114 H LEU 114 0.893 -4.795 -17.796 881 HA LEU 114 HA LEU 114 0.586 -4.981 -14.836 882 HB2 LEU 114 1HB LEU 114 -0.295 -2.839 -16.818 883 HB3 LEU 114 2HB LEU 114 -0.843 -2.909 -15.152 884 HG LEU 114 HG LEU 114 2.089 -2.616 -15.941 885 HD11 LEU 114 1HD1 LEU 114 0.710 -0.720 -16.700 886 HD12 LEU 114 2HD1 LEU 114 0.092 -0.505 -15.041 887 HD13 LEU 114 3HD1 LEU 114 1.818 -0.258 -15.395 888 HD21 LEU 114 3HD2 LEU 114 2.280 -1.814 -13.555 889 HD22 LEU 114 1HD2 LEU 114 0.618 -2.365 -13.277 890 HD23 LEU 114 2HD2 LEU 114 1.890 -3.535 -13.694 891 HA PRO 115 HA PRO 115 -3.154 -7.240 -15.681 892 HB2 PRO 115 1HB PRO 115 -4.682 -6.705 -13.487 893 HB3 PRO 115 2HB PRO 115 -3.190 -7.697 -13.408 894 HG2 PRO 115 1HG PRO 115 -3.500 -4.739 -12.785 895 HG3 PRO 115 2HG PRO 115 -2.707 -6.004 -11.787 896 HD2 PRO 115 1HD PRO 115 -1.278 -4.391 -13.441 897 HD3 PRO 115 2HD PRO 115 -0.854 -6.123 -13.246 898 H ASP 116 H ASP 116 -5.311 -6.990 -16.373 899 HA ASP 116 HA ASP 116 -6.151 -4.319 -17.240 900 HB2 ASP 116 1HB ASP 116 -6.457 -6.217 -18.727 901 HB3 ASP 116 2HB ASP 116 -7.401 -7.071 -17.504 902 H ILE 117 H ILE 117 -7.804 -3.189 -16.524 903 HA ILE 117 HA ILE 117 -9.400 -4.012 -14.126 904 HB ILE 117 HB ILE 117 -9.144 -1.763 -13.199 905 HG12 ILE 117 1HG1 ILE 117 -7.065 -1.232 -15.376 906 HG13 ILE 117 2HG1 ILE 117 -8.717 -0.629 -15.440 907 HG21 ILE 117 1HG2 ILE 117 -7.591 -3.600 -12.509 908 HG22 ILE 117 2HG2 ILE 117 -6.392 -2.993 -13.670 909 HG23 ILE 117 3HG2 ILE 117 -6.903 -1.987 -12.303 910 HD11 ILE 117 3HD1 ILE 117 -7.295 1.096 -14.629 911 HD12 ILE 117 1HD1 ILE 117 -8.388 0.577 -13.326 912 HD13 ILE 117 2HD1 ILE 117 -6.680 0.050 -13.329 913 H SER 118 H SER 118 -9.575 -3.080 -17.306 914 HA SER 118 HA SER 118 -11.587 -1.033 -17.222 915 HB2 SER 118 1HB SER 118 -11.845 -1.430 -19.604 916 HB3 SER 118 2HB SER 118 -10.141 -1.353 -19.152 917 HG SER 118 HG SER 118 -9.999 -3.598 -19.322 918 H SER 119 H SER 119 -11.963 -4.336 -16.497 919 HA SER 119 HA SER 119 -14.854 -4.474 -17.056 920 HB2 SER 119 1HB SER 119 -14.596 -6.667 -15.874 921 HB3 SER 119 2HB SER 119 -13.575 -6.486 -17.311 922 HG SER 119 HG SER 119 -12.420 -7.375 -15.513 923 H CYS 120 H CYS 120 -12.906 -3.108 -14.589 924 HA CYS 120 HA CYS 120 -14.744 -3.631 -12.357 925 HB2 CYS 120 1HB CYS 120 -12.241 -1.933 -12.485 926 HB3 CYS 120 2HB CYS 120 -13.053 -2.504 -11.034 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -9.682 -7.194 10.154 2 H2 GLY 1 2H GLY 1 -8.552 -8.274 10.662 3 H3 GLY 1 3H GLY 1 -8.228 -6.660 10.722 4 HA2 GLY 1 1HA GLY 1 -8.309 -6.482 8.344 5 HA3 GLY 1 2HA GLY 1 -7.073 -7.628 8.870 6 H LYS 2 H LYS 2 -8.222 -7.547 6.372 7 HA LYS 2 HA LYS 2 -9.306 -10.219 5.919 8 HB2 LYS 2 1HB LYS 2 -11.326 -9.443 4.802 9 HB3 LYS 2 2HB LYS 2 -11.318 -8.883 6.474 10 HG2 LYS 2 1HG LYS 2 -10.604 -6.631 5.762 11 HG3 LYS 2 2HG LYS 2 -10.528 -7.156 4.078 12 HD2 LYS 2 1HD LYS 2 -13.068 -7.172 5.753 13 HD3 LYS 2 2HD LYS 2 -12.570 -5.851 4.684 14 HE2 LYS 2 1HE LYS 2 -12.537 -7.411 2.748 15 HE3 LYS 2 2HE LYS 2 -13.095 -8.723 3.796 16 HZ1 LYS 2 3HZ LYS 2 -14.940 -7.696 2.613 17 HZ2 LYS 2 1HZ LYS 2 -15.119 -7.440 4.215 18 HZ3 LYS 2 2HZ LYS 2 -14.604 -6.228 3.244 19 H THR 3 H THR 3 -9.550 -10.695 3.605 20 HA THR 3 HA THR 3 -7.505 -9.338 1.924 21 HB THR 3 HB THR 3 -8.792 -12.037 1.425 22 HG1 THR 3 1HG THR 3 -6.967 -12.876 2.445 23 HG21 THR 3 3HG2 THR 3 -6.673 -12.398 0.133 24 HG22 THR 3 1HG2 THR 3 -7.628 -11.066 -0.526 25 HG23 THR 3 2HG2 THR 3 -6.201 -10.719 0.472 26 H PHE 4 H PHE 4 -7.945 -8.459 0.031 27 HA PHE 4 HA PHE 4 -10.780 -8.102 -0.818 28 HB2 PHE 4 1HB PHE 4 -8.253 -6.481 -1.293 29 HB3 PHE 4 2HB PHE 4 -9.752 -6.138 -2.104 30 HD1 PHE 4 1HD PHE 4 -8.317 -6.478 1.383 31 HD2 PHE 4 2HD PHE 4 -11.288 -4.603 -1.136 32 HE1 PHE 4 1HE PHE 4 -9.150 -5.178 3.316 33 HE2 PHE 4 2HE PHE 4 -12.105 -3.317 0.806 34 HZ PHE 4 HZ PHE 4 -11.059 -3.613 3.041 35 H THR 5 H THR 5 -11.251 -8.135 -3.029 36 HA THR 5 HA THR 5 -9.568 -9.898 -4.774 37 HB THR 5 HB THR 5 -11.842 -10.713 -4.422 38 HG1 THR 5 1HG THR 5 -12.190 -10.998 -6.623 39 HG21 THR 5 3HG2 THR 5 -13.767 -9.575 -5.435 40 HG22 THR 5 1HG2 THR 5 -13.083 -8.566 -4.154 41 HG23 THR 5 2HG2 THR 5 -12.758 -8.181 -5.859 42 H ARG 6 H ARG 6 -9.390 -9.155 -7.089 43 HA ARG 6 HA ARG 6 -8.141 -6.629 -7.068 44 HB2 ARG 6 1HB ARG 6 -7.658 -8.472 -8.663 45 HB3 ARG 6 2HB ARG 6 -9.139 -8.087 -9.546 46 HG2 ARG 6 1HG ARG 6 -8.296 -5.811 -10.019 47 HG3 ARG 6 2HG ARG 6 -6.853 -6.108 -9.039 48 HD2 ARG 6 1HD ARG 6 -7.610 -7.640 -11.558 49 HD3 ARG 6 2HD ARG 6 -6.481 -6.281 -11.497 50 HE ARG 6 HE ARG 6 -5.251 -7.783 -9.718 51 HH11 ARG 6 1HH1 ARG 6 -6.819 -9.139 -12.604 52 HH12 ARG 6 2HH1 ARG 6 -5.681 -10.449 -12.690 53 HH21 ARG 6 1HH2 ARG 6 -3.749 -9.323 -10.009 54 HH22 ARG 6 2HH2 ARG 6 -3.971 -10.582 -11.208 55 H CYS 7 H CYS 7 -11.382 -7.407 -8.477 56 HA CYS 7 HA CYS 7 -11.949 -4.690 -9.231 57 HB2 CYS 7 1HB CYS 7 -14.251 -5.422 -9.487 58 HB3 CYS 7 2HB CYS 7 -13.131 -6.570 -10.209 59 H GLY 8 H GLY 8 -12.355 -6.324 -6.130 60 HA2 GLY 8 1HA GLY 8 -13.900 -4.227 -4.840 61 HA3 GLY 8 2HA GLY 8 -12.965 -5.519 -4.041 62 H LEU 9 H LEU 9 -10.388 -5.041 -4.905 63 HA LEU 9 HA LEU 9 -9.479 -2.788 -3.427 64 HB2 LEU 9 1HB LEU 9 -8.202 -4.882 -3.846 65 HB3 LEU 9 2HB LEU 9 -8.102 -4.501 -5.564 66 HG LEU 9 HG LEU 9 -6.835 -2.446 -5.040 67 HD11 LEU 9 1HD1 LEU 9 -7.628 -1.882 -2.826 68 HD12 LEU 9 2HD1 LEU 9 -7.077 -3.437 -2.180 69 HD13 LEU 9 3HD1 LEU 9 -5.895 -2.203 -2.704 70 HD21 LEU 9 3HD2 LEU 9 -4.749 -3.523 -4.513 71 HD22 LEU 9 1HD2 LEU 9 -5.587 -4.889 -3.740 72 HD23 LEU 9 2HD2 LEU 9 -5.703 -4.639 -5.498 73 H VAL 10 H VAL 10 -9.703 -3.208 -7.004 74 HA VAL 10 HA VAL 10 -8.891 -0.642 -7.815 75 HB VAL 10 HB VAL 10 -11.037 -2.477 -8.943 76 HG11 VAL 10 1HG1 VAL 10 -11.746 -0.340 -9.752 77 HG12 VAL 10 2HG1 VAL 10 -10.089 0.178 -10.070 78 HG13 VAL 10 3HG1 VAL 10 -10.836 -1.079 -11.069 79 HG21 VAL 10 3HG2 VAL 10 -9.406 -2.930 -10.696 80 HG22 VAL 10 1HG2 VAL 10 -8.276 -1.747 -10.006 81 HG23 VAL 10 2HG2 VAL 10 -8.657 -3.232 -9.127 82 H HIS 11 H HIS 11 -12.164 -1.639 -6.739 83 HA HIS 11 HA HIS 11 -13.366 0.979 -6.957 84 HB2 HIS 11 1HB HIS 11 -14.138 -1.527 -5.423 85 HB3 HIS 11 2HB HIS 11 -15.106 -0.067 -5.434 86 HD2 HIS 11 2HD HIS 11 -13.728 -0.519 -8.887 87 HE1 HIS 11 1HE HIS 11 -17.547 -2.397 -8.941 88 HE2 HIS 11 2HE HIS 11 -15.647 -1.544 -10.389 89 H GLU 12 H GLU 12 -11.942 -0.731 -4.144 90 HA GLU 12 HA GLU 12 -12.612 1.237 -2.196 91 HB2 GLU 12 1HB GLU 12 -11.651 -1.261 -2.075 92 HB3 GLU 12 2HB GLU 12 -10.112 -0.436 -1.965 93 HG2 GLU 12 1HG GLU 12 -10.982 -0.987 0.230 94 HG3 GLU 12 2HG GLU 12 -10.952 0.777 0.036 95 H LEU 13 H LEU 13 -9.698 0.887 -4.230 96 HA LEU 13 HA LEU 13 -8.373 3.246 -3.179 97 HB2 LEU 13 1HB LEU 13 -8.071 1.745 -5.791 98 HB3 LEU 13 2HB LEU 13 -6.909 2.912 -5.166 99 HG LEU 13 HG LEU 13 -7.629 0.315 -3.800 100 HD11 LEU 13 1HD1 LEU 13 -6.489 -0.062 -5.918 101 HD12 LEU 13 2HD1 LEU 13 -5.223 1.113 -5.474 102 HD13 LEU 13 3HD1 LEU 13 -5.381 -0.415 -4.574 103 HD21 LEU 13 3HD2 LEU 13 -5.674 0.694 -2.406 104 HD22 LEU 13 1HD2 LEU 13 -5.396 2.277 -3.187 105 HD23 LEU 13 2HD2 LEU 13 -6.843 2.000 -2.190 106 H ARG 14 H ARG 14 -10.477 2.711 -6.019 107 HA ARG 14 HA ARG 14 -10.417 5.384 -7.045 108 HB2 ARG 14 1HB ARG 14 -12.551 3.239 -7.085 109 HB3 ARG 14 2HB ARG 14 -12.851 4.835 -7.769 110 HG2 ARG 14 1HG ARG 14 -11.132 4.610 -9.408 111 HG3 ARG 14 2HG ARG 14 -10.495 3.142 -8.648 112 HD2 ARG 14 1HD ARG 14 -12.530 1.921 -9.124 113 HD3 ARG 14 2HD ARG 14 -13.297 3.378 -9.803 114 HE ARG 14 HE ARG 14 -10.920 2.915 -11.240 115 HH11 ARG 14 1HH1 ARG 14 -14.081 1.355 -10.828 116 HH12 ARG 14 2HH1 ARG 14 -13.910 0.431 -12.308 117 HH21 ARG 14 1HH2 ARG 14 -10.857 1.713 -13.212 118 HH22 ARG 14 2HH2 ARG 14 -12.189 0.652 -13.592 119 H LYS 15 H LYS 15 -12.460 4.008 -4.423 120 HA LYS 15 HA LYS 15 -13.843 6.474 -3.783 121 HB2 LYS 15 1HB LYS 15 -13.255 3.934 -2.210 122 HB3 LYS 15 2HB LYS 15 -14.238 5.266 -1.588 123 HG2 LYS 15 1HG LYS 15 -15.942 4.941 -3.217 124 HG3 LYS 15 2HG LYS 15 -14.924 3.906 -4.211 125 HD2 LYS 15 1HD LYS 15 -16.548 2.550 -3.109 126 HD3 LYS 15 2HD LYS 15 -14.964 2.135 -2.477 127 HE2 LYS 15 1HE LYS 15 -16.858 4.066 -1.056 128 HE3 LYS 15 2HE LYS 15 -16.964 2.318 -0.847 129 HZ1 LYS 15 3HZ LYS 15 -15.624 3.266 0.891 130 HZ2 LYS 15 1HZ LYS 15 -14.673 2.306 -0.031 131 HZ3 LYS 15 2HZ LYS 15 -14.577 3.933 -0.174 132 H HIS 16 H HIS 16 -10.800 5.047 -2.620 133 HA HIS 16 HA HIS 16 -10.377 7.134 -0.640 134 HB2 HIS 16 1HB HIS 16 -8.716 4.740 -1.520 135 HB3 HIS 16 2HB HIS 16 -8.304 5.817 -0.187 136 HD2 HIS 16 2HD HIS 16 -8.485 3.198 0.949 137 HE1 HIS 16 1HE HIS 16 -12.599 3.635 1.840 138 HE2 HIS 16 2HE HIS 16 -10.530 2.325 2.391 139 H GLY 17 H GLY 17 -9.990 7.438 -3.868 140 HA2 GLY 17 1HA GLY 17 -9.288 9.447 -4.842 141 HA3 GLY 17 2HA GLY 17 -8.250 9.794 -3.441 142 H PHE 18 H PHE 18 -8.123 6.764 -5.313 143 HA PHE 18 HA PHE 18 -5.375 7.429 -6.255 144 HB2 PHE 18 1HB PHE 18 -6.947 4.864 -6.081 145 HB3 PHE 18 2HB PHE 18 -5.379 4.988 -6.851 146 HD1 PHE 18 2HD PHE 18 -6.980 5.851 -3.505 147 HD2 PHE 18 1HD PHE 18 -3.524 4.376 -5.600 148 HE1 PHE 18 2HE PHE 18 -5.827 5.570 -1.378 149 HE2 PHE 18 1HE PHE 18 -2.376 4.002 -3.433 150 HZ PHE 18 HZ PHE 18 -3.517 4.596 -1.309 151 H GLU 19 H GLU 19 -4.995 7.880 -8.378 152 HA GLU 19 HA GLU 19 -7.112 8.447 -10.136 153 HB2 GLU 19 1HB GLU 19 -4.282 8.868 -10.006 154 HB3 GLU 19 2HB GLU 19 -4.585 8.094 -11.555 155 HG2 GLU 19 1HG GLU 19 -5.953 10.570 -10.456 156 HG3 GLU 19 2HG GLU 19 -4.695 10.551 -11.700 157 H GLU 20 H GLU 20 -8.002 7.464 -11.904 158 HA GLU 20 HA GLU 20 -7.945 4.611 -12.074 159 HB2 GLU 20 1HB GLU 20 -9.408 4.847 -13.986 160 HB3 GLU 20 2HB GLU 20 -9.930 5.853 -12.638 161 HG2 GLU 20 1HG GLU 20 -8.988 7.859 -13.751 162 HG3 GLU 20 2HG GLU 20 -8.422 6.860 -15.094 163 H ASN 21 H ASN 21 -6.069 7.094 -13.826 164 HA ASN 21 HA ASN 21 -5.043 5.170 -15.748 165 HB2 ASN 21 1HB ASN 21 -3.899 6.864 -16.716 166 HB3 ASN 21 2HB ASN 21 -5.216 7.759 -15.973 167 HD21 ASN 21 2HD2 ASN 21 -4.697 8.996 -13.955 168 HD22 ASN 21 1HD2 ASN 21 -3.026 9.510 -13.710 169 H LEU 22 H LEU 22 -4.302 5.722 -12.461 170 HA LEU 22 HA LEU 22 -1.621 4.392 -12.643 171 HB2 LEU 22 1HB LEU 22 -2.949 5.876 -10.340 172 HB3 LEU 22 2HB LEU 22 -1.328 5.194 -10.340 173 HG LEU 22 HG LEU 22 -2.311 7.542 -11.988 174 HD11 LEU 22 1HD1 LEU 22 -1.948 8.001 -9.591 175 HD12 LEU 22 2HD1 LEU 22 -0.298 7.353 -9.711 176 HD13 LEU 22 3HD1 LEU 22 -0.745 8.832 -10.592 177 HD21 LEU 22 3HD2 LEU 22 0.044 7.840 -12.716 178 HD22 LEU 22 1HD2 LEU 22 0.479 6.303 -11.943 179 HD23 LEU 22 2HD2 LEU 22 -0.632 6.329 -13.329 180 H MET 23 H MET 23 -4.896 3.771 -11.817 181 HA MET 23 HA MET 23 -4.821 2.111 -9.656 182 HB2 MET 23 1HB MET 23 -6.762 3.000 -11.046 183 HB3 MET 23 2HB MET 23 -6.557 1.628 -12.100 184 HG2 MET 23 1HG MET 23 -8.351 1.259 -10.437 185 HG3 MET 23 2HG MET 23 -7.050 0.094 -10.210 186 HE1 MET 23 3HE MET 23 -8.060 3.739 -7.599 187 HE2 MET 23 1HE MET 23 -6.812 3.971 -8.844 188 HE3 MET 23 2HE MET 23 -8.450 3.484 -9.306 189 H ARG 24 H ARG 24 -4.200 0.980 -13.018 190 HA ARG 24 HA ARG 24 -3.780 -1.752 -12.496 191 HB2 ARG 24 1HB ARG 24 -2.290 -0.005 -14.510 192 HB3 ARG 24 2HB ARG 24 -2.398 -1.768 -14.522 193 HG2 ARG 24 1HG ARG 24 -4.889 -1.573 -14.756 194 HG3 ARG 24 2HG ARG 24 -4.701 0.187 -14.879 195 HD2 ARG 24 1HD ARG 24 -4.891 -0.602 -17.101 196 HD3 ARG 24 2HD ARG 24 -3.182 -0.186 -16.864 197 HE ARG 24 HE ARG 24 -3.746 -2.970 -16.257 198 HH11 ARG 24 1HH1 ARG 24 -3.251 -0.854 -19.053 199 HH12 ARG 24 2HH1 ARG 24 -2.751 -2.170 -20.072 200 HH21 ARG 24 1HH2 ARG 24 -3.037 -4.607 -17.605 201 HH22 ARG 24 2HH2 ARG 24 -2.645 -4.266 -19.263 202 H ASN 25 H ASN 25 -1.341 0.902 -12.358 203 HA ASN 25 HA ASN 25 0.882 -0.727 -11.561 204 HB2 ASN 25 1HB ASN 25 0.313 2.234 -11.045 205 HB3 ASN 25 2HB ASN 25 1.811 1.413 -10.661 206 HD21 ASN 25 2HD2 ASN 25 3.028 2.807 -12.006 207 HD22 ASN 25 1HD2 ASN 25 2.959 2.639 -13.754 208 H TRP 26 H TRP 26 -1.507 1.175 -9.640 209 HA TRP 26 HA TRP 26 -0.392 0.577 -7.103 210 HB2 TRP 26 1HB TRP 26 -3.118 1.511 -8.040 211 HB3 TRP 26 2HB TRP 26 -2.801 1.171 -6.348 212 HD1 TRP 26 HD TRP 26 -2.686 3.978 -8.656 213 HE1 TRP 26 1HE TRP 26 -1.469 5.970 -7.606 214 HE3 TRP 26 3HE TRP 26 -0.278 1.542 -4.849 215 HZ2 TRP 26 2HZ TRP 26 0.124 6.489 -5.239 216 HZ3 TRP 26 3HZ TRP 26 1.070 2.809 -3.203 217 HH2 TRP 26 HH TRP 26 1.258 5.281 -3.368 218 H VAL 27 H VAL 27 -3.189 -1.085 -8.737 219 HA VAL 27 HA VAL 27 -3.414 -2.944 -6.556 220 HB VAL 27 HB VAL 27 -4.864 -4.312 -7.791 221 HG11 VAL 27 1HG1 VAL 27 -5.649 -2.057 -7.023 222 HG12 VAL 27 2HG1 VAL 27 -5.460 -1.479 -8.688 223 HG13 VAL 27 3HG1 VAL 27 -6.598 -2.784 -8.327 224 HG21 VAL 27 3HG2 VAL 27 -5.380 -3.989 -10.200 225 HG22 VAL 27 1HG2 VAL 27 -3.980 -2.900 -10.329 226 HG23 VAL 27 2HG2 VAL 27 -3.753 -4.611 -9.898 227 H CYS 28 H CYS 28 -1.449 -3.119 -9.551 228 HA CYS 28 HA CYS 28 -0.628 -5.848 -9.134 229 HB2 CYS 28 1HB CYS 28 -0.590 -4.437 -11.234 230 HB3 CYS 28 2HB CYS 28 0.884 -3.685 -10.638 231 H LEU 29 H LEU 29 0.784 -2.742 -8.121 232 HA LEU 29 HA LEU 29 3.086 -3.756 -6.776 233 HB2 LEU 29 1HB LEU 29 2.695 -1.458 -7.534 234 HB3 LEU 29 2HB LEU 29 1.419 -1.236 -6.348 235 HG LEU 29 HG LEU 29 4.352 -1.724 -5.686 236 HD11 LEU 29 1HD1 LEU 29 3.955 0.393 -6.917 237 HD12 LEU 29 2HD1 LEU 29 2.733 0.858 -5.709 238 HD13 LEU 29 3HD1 LEU 29 4.439 0.685 -5.248 239 HD21 LEU 29 3HD2 LEU 29 3.621 -0.695 -3.459 240 HD22 LEU 29 1HD2 LEU 29 1.954 -1.034 -3.954 241 HD23 LEU 29 2HD2 LEU 29 3.141 -2.354 -3.758 242 H VAL 30 H VAL 30 -0.155 -2.876 -5.485 243 HA VAL 30 HA VAL 30 0.243 -3.807 -2.841 244 HB VAL 30 HB VAL 30 -2.233 -3.529 -4.562 245 HG11 VAL 30 1HG1 VAL 30 -2.868 -5.278 -3.014 246 HG12 VAL 30 2HG1 VAL 30 -2.122 -4.403 -1.663 247 HG13 VAL 30 3HG1 VAL 30 -3.578 -3.764 -2.464 248 HG21 VAL 30 3HG2 VAL 30 -2.660 -1.599 -3.119 249 HG22 VAL 30 1HG2 VAL 30 -1.264 -2.011 -2.096 250 HG23 VAL 30 2HG2 VAL 30 -1.015 -1.473 -3.764 251 H GLU 31 H GLU 31 -0.797 -5.665 -5.732 252 HA GLU 31 HA GLU 31 -1.283 -8.112 -4.318 253 HB2 GLU 31 1HB GLU 31 -0.756 -7.403 -7.220 254 HB3 GLU 31 2HB GLU 31 -0.893 -9.090 -6.710 255 HG2 GLU 31 1HG GLU 31 -3.114 -8.804 -5.901 256 HG3 GLU 31 2HG GLU 31 -3.057 -7.051 -6.066 257 H HIS 32 H HIS 32 1.801 -6.673 -5.477 258 HA HIS 32 HA HIS 32 3.231 -9.187 -5.041 259 HB2 HIS 32 1HB HIS 32 4.998 -8.221 -6.005 260 HB3 HIS 32 2HB HIS 32 3.759 -7.181 -6.695 261 HD2 HIS 32 2HD HIS 32 6.048 -7.046 -3.529 262 HE1 HIS 32 1HE HIS 32 5.971 -3.176 -5.267 263 HE2 HIS 32 2HE HIS 32 6.817 -4.556 -3.297 264 H GLU 33 H GLU 33 2.528 -6.253 -3.229 265 HA GLU 33 HA GLU 33 4.482 -6.785 -1.146 266 HB2 GLU 33 1HB GLU 33 2.322 -4.746 -1.647 267 HB3 GLU 33 2HB GLU 33 3.043 -4.844 -0.042 268 HG2 GLU 33 1HG GLU 33 4.388 -4.125 -2.632 269 HG3 GLU 33 2HG GLU 33 4.085 -3.088 -1.257 270 H SER 34 H SER 34 0.857 -6.632 -1.002 271 HA SER 34 HA SER 34 0.975 -8.237 1.539 272 HB2 SER 34 1HB SER 34 -1.102 -7.172 2.092 273 HB3 SER 34 2HB SER 34 0.103 -5.936 1.713 274 HG SER 34 HG SER 34 -1.094 -5.303 0.106 275 H SER 35 H SER 35 0.189 -8.594 -1.732 276 HA SER 35 HA SER 35 -1.170 -9.933 -2.968 277 HB2 SER 35 1HB SER 35 -1.841 -11.616 -0.567 278 HB3 SER 35 2HB SER 35 -1.790 -12.075 -2.267 279 HG SER 35 HG SER 35 0.517 -11.850 -2.184 280 H ARG 36 H ARG 36 -2.275 -7.616 -1.385 281 HA ARG 36 HA ARG 36 -4.211 -6.509 -1.219 282 HB2 ARG 36 1HB ARG 36 -5.873 -8.831 -2.205 283 HB3 ARG 36 2HB ARG 36 -6.219 -7.106 -2.259 284 HG2 ARG 36 1HG ARG 36 -4.273 -6.884 -3.902 285 HG3 ARG 36 2HG ARG 36 -4.228 -8.636 -3.969 286 HD2 ARG 36 1HD ARG 36 -6.723 -7.017 -4.605 287 HD3 ARG 36 2HD ARG 36 -5.575 -7.575 -5.814 288 HE ARG 36 HE ARG 36 -7.171 -9.336 -3.987 289 HH11 ARG 36 1HH1 ARG 36 -5.593 -9.019 -7.186 290 HH12 ARG 36 2HH1 ARG 36 -6.026 -10.653 -7.601 291 HH21 ARG 36 1HH2 ARG 36 -7.620 -11.390 -4.613 292 HH22 ARG 36 2HH2 ARG 36 -7.192 -11.951 -6.200 293 H ASP 37 H ASP 37 -3.130 -8.124 0.919 294 HA ASP 37 HA ASP 37 -5.592 -8.708 2.557 295 HB2 ASP 37 1HB ASP 37 -4.350 -10.754 2.067 296 HB3 ASP 37 2HB ASP 37 -2.882 -10.025 2.724 297 H THR 38 H THR 38 -5.965 -7.263 4.037 298 HA THR 38 HA THR 38 -4.021 -5.282 4.873 299 HB THR 38 HB THR 38 -5.738 -4.684 6.655 300 HG1 THR 38 1HG THR 38 -7.341 -6.482 5.179 301 HG21 THR 38 3HG2 THR 38 -7.372 -3.753 5.120 302 HG22 THR 38 1HG2 THR 38 -5.747 -3.577 4.433 303 HG23 THR 38 2HG2 THR 38 -6.845 -4.849 3.830 304 H SER 39 H SER 39 -4.836 -8.449 6.149 305 HA SER 39 HA SER 39 -3.679 -7.945 8.785 306 HB2 SER 39 1HB SER 39 -4.493 -10.503 7.357 307 HB3 SER 39 2HB SER 39 -3.957 -10.400 9.032 308 HG SER 39 HG SER 39 -6.239 -10.388 8.870 309 H LYS 40 H LYS 40 -2.146 -8.372 5.765 310 HA LYS 40 HA LYS 40 -0.187 -10.305 6.577 311 HB2 LYS 40 1HB LYS 40 -1.002 -9.851 4.233 312 HB3 LYS 40 2HB LYS 40 -0.005 -8.401 4.203 313 HG2 LYS 40 1HG LYS 40 2.027 -9.602 4.333 314 HG3 LYS 40 2HG LYS 40 1.265 -11.022 5.020 315 HD2 LYS 40 1HD LYS 40 1.156 -10.223 2.111 316 HD3 LYS 40 2HD LYS 40 2.071 -11.529 2.841 317 HE2 LYS 40 1HE LYS 40 -0.099 -12.575 3.593 318 HE3 LYS 40 2HE LYS 40 -0.968 -11.312 2.704 319 HZ1 LYS 40 3HZ LYS 40 -0.717 -13.324 1.381 320 HZ2 LYS 40 1HZ LYS 40 0.087 -12.099 0.659 321 HZ3 LYS 40 2HZ LYS 40 0.911 -13.253 1.477 322 H THR 41 H THR 41 1.870 -10.153 7.262 323 HA THR 41 HA THR 41 3.252 -7.545 7.479 324 HB THR 41 HB THR 41 4.174 -8.234 9.701 325 HG1 THR 41 1HG THR 41 2.746 -9.785 10.835 326 HG21 THR 41 3HG2 THR 41 2.422 -7.490 11.084 327 HG22 THR 41 1HG2 THR 41 2.328 -6.586 9.580 328 HG23 THR 41 2HG2 THR 41 1.170 -7.906 9.869 329 H ASN 42 H ASN 42 5.482 -7.662 7.709 330 HA ASN 42 HA ASN 42 6.839 -10.228 7.213 331 HB2 ASN 42 1HB ASN 42 6.772 -7.886 5.261 332 HB3 ASN 42 2HB ASN 42 8.117 -9.010 5.294 333 HD21 ASN 42 2HD2 ASN 42 4.865 -8.541 4.175 334 HD22 ASN 42 1HD2 ASN 42 4.735 -10.109 3.383 335 H THR 43 H THR 43 8.776 -10.318 8.247 336 HA THR 43 HA THR 43 9.781 -7.953 9.713 337 HB THR 43 HB THR 43 10.922 -10.771 9.709 338 HG1 THR 43 1HG THR 43 9.528 -11.224 11.339 339 HG21 THR 43 3HG2 THR 43 11.536 -10.133 12.063 340 HG22 THR 43 1HG2 THR 43 12.340 -9.124 10.860 341 HG23 THR 43 2HG2 THR 43 10.938 -8.489 11.750 342 H ASN 44 H ASN 44 11.834 -7.100 9.485 343 HA ASN 44 HA ASN 44 13.247 -7.610 6.898 344 HB2 ASN 44 1HB ASN 44 13.148 -5.131 8.664 345 HB3 ASN 44 2HB ASN 44 14.051 -5.282 7.160 346 HD21 ASN 44 2HD2 ASN 44 10.805 -5.152 8.549 347 HD22 ASN 44 1HD2 ASN 44 10.002 -4.649 7.046 348 H ARG 45 H ARG 45 15.544 -7.433 6.860 349 HA ARG 45 HA ARG 45 16.954 -8.832 8.909 350 HB2 ARG 45 1HB ARG 45 18.094 -7.075 6.692 351 HB3 ARG 45 2HB ARG 45 18.978 -8.288 7.633 352 HG2 ARG 45 1HG ARG 45 17.405 -10.047 6.762 353 HG3 ARG 45 2HG ARG 45 16.659 -8.811 5.730 354 HD2 ARG 45 1HD ARG 45 18.843 -8.402 4.634 355 HD3 ARG 45 2HD ARG 45 19.595 -9.644 5.633 356 HE ARG 45 HE ARG 45 17.834 -10.007 3.317 357 HH11 ARG 45 1HH1 ARG 45 19.195 -11.691 6.119 358 HH12 ARG 45 2HH1 ARG 45 18.942 -13.257 5.410 359 HH21 ARG 45 1HH2 ARG 45 17.534 -12.052 2.470 360 HH22 ARG 45 2HH2 ARG 45 18.012 -13.456 3.376 361 H ASN 46 H ASN 46 16.359 -5.434 8.507 362 HA ASN 46 HA ASN 46 18.318 -4.487 10.431 363 HB2 ASN 46 1HB ASN 46 17.403 -3.216 8.462 364 HB3 ASN 46 2HB ASN 46 15.850 -3.104 9.294 365 HD21 ASN 46 2HD2 ASN 46 19.375 -2.377 9.844 366 HD22 ASN 46 1HD2 ASN 46 19.057 -0.877 10.694 367 H GLY 47 H GLY 47 15.428 -6.192 10.948 368 HA2 GLY 47 1HA GLY 47 14.581 -6.861 13.005 369 HA3 GLY 47 2HA GLY 47 15.384 -5.498 13.816 370 H SER 48 H SER 48 13.723 -4.254 11.195 371 HA SER 48 HA SER 48 11.358 -3.411 12.774 372 HB2 SER 48 1HB SER 48 11.000 -1.928 10.812 373 HB3 SER 48 2HB SER 48 12.557 -1.681 11.605 374 HG SER 48 HG SER 48 12.982 -1.770 9.425 375 H LYS 49 H LYS 49 9.232 -3.429 11.618 376 HA LYS 49 HA LYS 49 8.871 -5.791 9.831 377 HB2 LYS 49 1HB LYS 49 8.277 -6.074 12.414 378 HB3 LYS 49 2HB LYS 49 6.828 -5.202 11.944 379 HG2 LYS 49 1HG LYS 49 6.407 -6.997 10.206 380 HG3 LYS 49 2HG LYS 49 7.804 -7.863 10.881 381 HD2 LYS 49 1HD LYS 49 6.597 -7.678 13.171 382 HD3 LYS 49 2HD LYS 49 5.195 -7.123 12.257 383 HE2 LYS 49 1HE LYS 49 4.807 -9.415 12.562 384 HE3 LYS 49 2HE LYS 49 5.376 -9.298 10.893 385 HZ1 LYS 49 3HZ LYS 49 6.452 -11.108 12.089 386 HZ2 LYS 49 1HZ LYS 49 7.580 -10.001 11.678 387 HZ3 LYS 49 2HZ LYS 49 7.039 -10.091 13.222 388 H ASP 50 H ASP 50 7.153 -5.744 8.493 389 HA ASP 50 HA ASP 50 6.146 -3.069 7.682 390 HB2 ASP 50 1HB ASP 50 6.167 -5.720 6.193 391 HB3 ASP 50 2HB ASP 50 5.743 -4.146 5.544 392 H TYR 51 H TYR 51 3.959 -2.685 7.449 393 HA TYR 51 HA TYR 51 1.978 -4.779 8.268 394 HB2 TYR 51 1HB TYR 51 2.303 -1.924 9.273 395 HB3 TYR 51 2HB TYR 51 0.950 -2.977 9.667 396 HD1 TYR 51 2HD TYR 51 4.563 -2.348 10.140 397 HD2 TYR 51 1HD TYR 51 1.153 -4.666 11.393 398 HE1 TYR 51 2HE TYR 51 5.810 -3.078 12.138 399 HE2 TYR 51 1HE TYR 51 2.406 -5.418 13.411 400 HH TYR 51 HH TYR 51 5.753 -4.317 14.099 401 H GLY 52 H GLY 52 -0.118 -4.591 7.529 402 HA2 GLY 52 1HA GLY 52 -1.981 -3.732 6.458 403 HA3 GLY 52 2HA GLY 52 -1.137 -2.186 6.273 404 H LEU 53 H LEU 53 -2.601 -2.521 4.273 405 HA LEU 53 HA LEU 53 -1.928 -4.486 2.410 406 HB2 LEU 53 1HB LEU 53 -3.972 -2.642 2.675 407 HB3 LEU 53 2HB LEU 53 -3.050 -1.862 1.397 408 HG LEU 53 HG LEU 53 -3.087 -4.247 0.264 409 HD11 LEU 53 1HD1 LEU 53 -3.950 -5.482 2.156 410 HD12 LEU 53 2HD1 LEU 53 -5.391 -4.438 2.224 411 HD13 LEU 53 3HD1 LEU 53 -5.157 -5.506 0.852 412 HD21 LEU 53 3HD2 LEU 53 -5.226 -3.844 -0.774 413 HD22 LEU 53 1HD2 LEU 53 -5.622 -2.615 0.460 414 HD23 LEU 53 2HD2 LEU 53 -4.279 -2.337 -0.674 415 H PHE 54 H PHE 54 -0.312 -1.451 2.794 416 HA PHE 54 HA PHE 54 1.190 -1.851 0.247 417 HB2 PHE 54 1HB PHE 54 1.029 0.568 2.074 418 HB3 PHE 54 2HB PHE 54 1.887 0.481 0.545 419 HD1 PHE 54 2HD PHE 54 -1.480 0.513 2.113 420 HD2 PHE 54 1HD PHE 54 0.718 0.666 -1.587 421 HE1 PHE 54 2HE PHE 54 -3.546 1.167 0.926 422 HE2 PHE 54 1HE PHE 54 -1.351 1.366 -2.768 423 HZ PHE 54 HZ PHE 54 -3.483 1.617 -1.525 424 H GLN 55 H GLN 55 1.489 -3.063 3.221 425 HA GLN 55 HA GLN 55 3.121 -3.702 4.626 426 HB2 GLN 55 1HB GLN 55 4.573 -3.862 1.963 427 HB3 GLN 55 2HB GLN 55 5.228 -4.546 3.441 428 HG2 GLN 55 1HG GLN 55 2.597 -5.362 2.151 429 HG3 GLN 55 2HG GLN 55 4.119 -6.254 2.113 430 HE21 GLN 55 2HE2 GLN 55 1.251 -5.526 4.045 431 HE22 GLN 55 1HE2 GLN 55 1.714 -6.512 5.402 432 H ILE 56 H ILE 56 2.859 -1.387 5.331 433 HA ILE 56 HA ILE 56 5.088 0.452 4.798 434 HB ILE 56 HB ILE 56 2.746 0.822 6.714 435 HG12 ILE 56 1HG1 ILE 56 2.949 1.400 3.709 436 HG13 ILE 56 2HG1 ILE 56 1.810 0.275 4.472 437 HG21 ILE 56 1HG2 ILE 56 4.642 2.367 6.933 438 HG22 ILE 56 2HG2 ILE 56 4.457 2.826 5.220 439 HG23 ILE 56 3HG2 ILE 56 3.178 3.181 6.411 440 HD11 ILE 56 3HD1 ILE 56 0.538 2.159 3.883 441 HD12 ILE 56 1HD1 ILE 56 0.772 2.295 5.639 442 HD13 ILE 56 2HD1 ILE 56 1.743 3.283 4.517 443 H ASN 57 H ASN 57 6.754 0.911 6.200 444 HA ASN 57 HA ASN 57 7.143 -1.105 8.297 445 HB2 ASN 57 1HB ASN 57 8.728 -0.794 6.428 446 HB3 ASN 57 2HB ASN 57 9.095 0.826 7.031 447 HD21 ASN 57 2HD2 ASN 57 9.654 -2.590 7.442 448 HD22 ASN 57 1HD2 ASN 57 10.866 -2.411 8.719 449 H ASP 58 H ASP 58 7.541 -0.785 10.371 450 HA ASP 58 HA ASP 58 6.510 1.460 11.698 451 HB2 ASP 58 1HB ASP 58 6.931 0.375 13.676 452 HB3 ASP 58 2HB ASP 58 6.618 -0.909 12.515 453 H ARG 59 H ARG 59 9.581 1.268 10.375 454 HA ARG 59 HA ARG 59 10.799 3.249 12.236 455 HB2 ARG 59 1HB ARG 59 11.693 0.883 11.771 456 HB3 ARG 59 2HB ARG 59 12.223 1.485 10.211 457 HG2 ARG 59 1HG ARG 59 13.765 3.024 11.200 458 HG3 ARG 59 2HG ARG 59 13.039 2.850 12.805 459 HD2 ARG 59 1HD ARG 59 14.425 0.593 11.297 460 HD3 ARG 59 2HD ARG 59 15.225 1.627 12.495 461 HE ARG 59 HE ARG 59 12.987 0.693 13.823 462 HH11 ARG 59 1HH1 ARG 59 15.714 -0.936 12.268 463 HH12 ARG 59 2HH1 ARG 59 15.664 -2.281 13.358 464 HH21 ARG 59 1HH2 ARG 59 12.911 -1.102 15.158 465 HH22 ARG 59 2HH2 ARG 59 14.084 -2.373 14.982 466 H TYR 60 H TYR 60 9.156 3.278 9.417 467 HA TYR 60 HA TYR 60 10.744 5.521 8.179 468 HB2 TYR 60 1HB TYR 60 9.362 3.146 6.894 469 HB3 TYR 60 2HB TYR 60 9.767 4.602 6.011 470 HD1 TYR 60 2HD TYR 60 11.395 1.957 8.114 471 HD2 TYR 60 1HD TYR 60 11.807 4.851 4.964 472 HE1 TYR 60 2HE TYR 60 13.704 1.140 7.698 473 HE2 TYR 60 1HE TYR 60 14.124 4.037 4.518 474 HH TYR 60 HH TYR 60 15.611 1.376 6.420 475 H TRP 61 H TRP 61 7.405 4.201 8.530 476 HA TRP 61 HA TRP 61 6.337 6.932 7.885 477 HB2 TRP 61 1HB TRP 61 5.504 4.356 6.592 478 HB3 TRP 61 2HB TRP 61 4.817 5.920 6.242 479 HD1 TRP 61 HD TRP 61 7.173 3.466 4.985 480 HE1 TRP 61 1HE TRP 61 8.633 4.386 3.097 481 HE3 TRP 61 3HE TRP 61 6.266 8.474 5.621 482 HZ2 TRP 61 2HZ TRP 61 9.257 6.947 1.937 483 HZ3 TRP 61 3HZ TRP 61 7.264 10.126 4.069 484 HH2 TRP 61 HH TRP 61 8.758 9.382 2.223 485 H CYS 62 H CYS 62 5.507 3.659 9.190 486 HA CYS 62 HA CYS 62 3.379 4.988 10.835 487 HB2 CYS 62 1HB CYS 62 2.579 2.654 11.245 488 HB3 CYS 62 2HB CYS 62 2.355 3.262 9.619 489 H SER 63 H SER 63 3.134 4.079 13.040 490 HA SER 63 HA SER 63 5.789 3.581 14.344 491 HB2 SER 63 1HB SER 63 4.337 5.800 14.635 492 HB3 SER 63 2HB SER 63 3.463 4.800 15.793 493 HG SER 63 HG SER 63 5.169 5.742 16.906 494 H LYS 64 H LYS 64 5.986 2.027 15.873 495 HA LYS 64 HA LYS 64 4.000 -0.124 15.778 496 HB2 LYS 64 1HB LYS 64 5.738 -1.430 16.965 497 HB3 LYS 64 2HB LYS 64 6.287 -0.749 15.450 498 HG2 LYS 64 1HG LYS 64 7.638 0.893 16.516 499 HG3 LYS 64 2HG LYS 64 6.795 0.724 18.066 500 HD2 LYS 64 1HD LYS 64 7.707 -1.492 18.410 501 HD3 LYS 64 2HD LYS 64 8.514 -1.453 16.815 502 HE2 LYS 64 1HE LYS 64 9.835 0.505 17.523 503 HE3 LYS 64 2HE LYS 64 9.000 0.532 19.084 504 HZ1 LYS 64 3HZ LYS 64 11.156 -0.577 19.246 505 HZ2 LYS 64 1HZ LYS 64 9.966 -1.645 19.572 506 HZ3 LYS 64 2HZ LYS 64 10.729 -1.687 18.125 507 H GLY 65 H GLY 65 4.535 2.363 18.053 508 HA2 GLY 65 1HA GLY 65 4.005 0.835 20.485 509 HA3 GLY 65 2HA GLY 65 4.142 2.592 20.335 510 H ALA 66 H ALA 66 2.362 2.396 21.965 511 HA ALA 66 HA ALA 66 -0.272 1.511 21.093 512 HB1 ALA 66 1HB ALA 66 0.559 1.255 23.409 513 HB2 ALA 66 2HB ALA 66 0.612 3.027 23.586 514 HB3 ALA 66 3HB ALA 66 -0.940 2.197 23.347 515 H SER 67 H SER 67 1.257 4.113 19.966 516 HA SER 67 HA SER 67 -1.161 5.712 19.500 517 HB2 SER 67 1HB SER 67 -0.269 6.466 21.712 518 HB3 SER 67 2HB SER 67 1.269 6.863 20.931 519 HG SER 67 HG SER 67 -0.136 8.692 21.144 520 HA PRO 68 HA PRO 68 1.210 6.336 15.694 521 HB2 PRO 68 1HB PRO 68 -0.066 8.503 14.618 522 HB3 PRO 68 2HB PRO 68 -0.809 6.872 14.694 523 HG2 PRO 68 1HG PRO 68 -1.197 9.175 16.627 524 HG3 PRO 68 2HG PRO 68 -2.456 8.190 15.810 525 HD2 PRO 68 1HD PRO 68 -1.657 7.617 18.320 526 HD3 PRO 68 2HD PRO 68 -1.977 6.299 17.157 527 H GLY 69 H GLY 69 2.664 7.961 14.656 528 HA2 GLY 69 1HA GLY 69 3.451 10.419 15.665 529 HA3 GLY 69 2HA GLY 69 4.250 9.276 16.735 530 H LYS 70 H LYS 70 3.758 10.096 13.356 531 HA LYS 70 HA LYS 70 6.577 9.914 12.617 532 HB2 LYS 70 1HB LYS 70 4.453 8.090 11.382 533 HB3 LYS 70 2HB LYS 70 5.996 8.414 10.601 534 HG2 LYS 70 1HG LYS 70 5.629 7.002 13.234 535 HG3 LYS 70 2HG LYS 70 5.955 6.275 11.668 536 HD2 LYS 70 1HD LYS 70 8.132 7.268 11.524 537 HD3 LYS 70 2HD LYS 70 7.902 8.173 13.026 538 HE2 LYS 70 1HE LYS 70 7.817 5.125 12.870 539 HE3 LYS 70 2HE LYS 70 9.294 6.043 13.174 540 HZ1 LYS 70 3HZ LYS 70 8.337 5.389 15.257 541 HZ2 LYS 70 1HZ LYS 70 8.195 7.015 15.140 542 HZ3 LYS 70 2HZ LYS 70 6.890 6.059 14.923 543 H ASP 71 H ASP 71 6.618 10.351 10.083 544 HA ASP 71 HA ASP 71 5.481 12.925 9.575 545 HB2 ASP 71 1HB ASP 71 7.521 12.083 8.494 546 HB3 ASP 71 2HB ASP 71 6.583 10.849 7.645 547 H CYS 72 H CYS 72 4.242 9.677 8.793 548 HA CYS 72 HA CYS 72 1.844 10.839 7.466 549 HB2 CYS 72 1HB CYS 72 2.688 7.960 7.860 550 HB3 CYS 72 2HB CYS 72 1.297 8.516 6.939 551 H ASN 73 H ASN 73 2.663 10.365 10.645 552 HA ASN 73 HA ASN 73 1.530 10.196 12.584 553 HB2 ASN 73 1HB ASN 73 0.943 12.405 11.576 554 HB3 ASN 73 2HB ASN 73 -0.554 11.701 10.961 555 HD21 ASN 73 2HD2 ASN 73 -1.825 13.205 12.236 556 HD22 ASN 73 1HD2 ASN 73 -1.955 13.011 13.975 557 H VAL 74 H VAL 74 1.401 7.776 11.700 558 HA VAL 74 HA VAL 74 -1.293 6.760 12.339 559 HB VAL 74 HB VAL 74 -1.229 7.165 9.893 560 HG11 VAL 74 1HG1 VAL 74 1.173 6.711 9.451 561 HG12 VAL 74 2HG1 VAL 74 0.899 4.988 9.788 562 HG13 VAL 74 3HG1 VAL 74 0.105 5.758 8.408 563 HG21 VAL 74 3HG2 VAL 74 -2.179 5.053 9.243 564 HG22 VAL 74 1HG2 VAL 74 -1.400 4.220 10.602 565 HG23 VAL 74 2HG2 VAL 74 -2.670 5.429 10.903 566 H LYS 75 H LYS 75 -1.384 4.678 13.035 567 HA LYS 75 HA LYS 75 1.121 3.628 14.233 568 HB2 LYS 75 1HB LYS 75 -0.950 4.450 15.485 569 HB3 LYS 75 2HB LYS 75 -1.784 3.016 14.874 570 HG2 LYS 75 1HG LYS 75 -0.005 1.614 16.068 571 HG3 LYS 75 2HG LYS 75 0.642 3.130 16.719 572 HD2 LYS 75 1HD LYS 75 -0.841 2.462 18.431 573 HD3 LYS 75 2HD LYS 75 -1.827 3.587 17.508 574 HE2 LYS 75 1HE LYS 75 -2.379 1.217 16.205 575 HE3 LYS 75 2HE LYS 75 -1.996 0.610 17.825 576 HZ1 LYS 75 3HZ LYS 75 -4.308 1.043 17.760 577 HZ2 LYS 75 1HZ LYS 75 -3.708 2.310 18.609 578 HZ3 LYS 75 2HZ LYS 75 -4.140 2.476 17.016 579 H CYS 76 H CYS 76 1.901 1.611 13.705 580 HA CYS 76 HA CYS 76 1.335 0.166 11.408 581 HB2 CYS 76 1HB CYS 76 2.329 -0.906 14.084 582 HB3 CYS 76 2HB CYS 76 2.527 -1.692 12.525 583 H SER 77 H SER 77 -0.216 -0.411 14.608 584 HA SER 77 HA SER 77 -1.634 -2.784 13.671 585 HB2 SER 77 1HB SER 77 -0.897 -2.297 16.040 586 HB3 SER 77 2HB SER 77 -2.239 -1.143 16.142 587 HG SER 77 HG SER 77 -2.784 -3.265 16.924 588 H ASP 78 H ASP 78 -2.368 0.658 13.539 589 HA ASP 78 HA ASP 78 -5.227 0.297 12.965 590 HB2 ASP 78 1HB ASP 78 -3.321 2.622 13.091 591 HB3 ASP 78 2HB ASP 78 -4.695 2.764 12.019 592 H LEU 79 H LEU 79 -2.338 -0.294 11.209 593 HA LEU 79 HA LEU 79 -3.585 0.171 8.571 594 HB2 LEU 79 1HB LEU 79 -1.006 -1.315 9.168 595 HB3 LEU 79 2HB LEU 79 -1.553 -0.627 7.644 596 HG LEU 79 HG LEU 79 -0.614 0.918 10.086 597 HD11 LEU 79 1HD1 LEU 79 1.168 -0.066 8.755 598 HD12 LEU 79 2HD1 LEU 79 0.452 0.561 7.258 599 HD13 LEU 79 3HD1 LEU 79 1.125 1.679 8.461 600 HD21 LEU 79 3HD2 LEU 79 -0.878 2.941 8.595 601 HD22 LEU 79 1HD2 LEU 79 -1.802 1.922 7.480 602 HD23 LEU 79 2HD2 LEU 79 -2.417 2.235 9.115 603 H LEU 80 H LEU 80 -3.825 -2.224 10.926 604 HA LEU 80 HA LEU 80 -4.242 -4.459 9.032 605 HB2 LEU 80 1HB LEU 80 -4.223 -4.498 12.061 606 HB3 LEU 80 2HB LEU 80 -4.146 -5.883 10.981 607 HG LEU 80 HG LEU 80 -1.987 -3.768 11.309 608 HD11 LEU 80 1HD1 LEU 80 -2.253 -5.255 13.266 609 HD12 LEU 80 2HD1 LEU 80 -2.096 -6.678 12.213 610 HD13 LEU 80 3HD1 LEU 80 -0.727 -5.567 12.427 611 HD21 LEU 80 3HD2 LEU 80 -0.556 -5.309 9.971 612 HD22 LEU 80 1HD2 LEU 80 -1.979 -6.313 9.635 613 HD23 LEU 80 2HD2 LEU 80 -1.891 -4.636 9.036 614 H THR 81 H THR 81 -6.167 -2.044 9.832 615 HA THR 81 HA THR 81 -8.569 -3.258 10.875 616 HB THR 81 HB THR 81 -9.612 -1.079 10.066 617 HG1 THR 81 1HG THR 81 -8.201 -0.534 8.400 618 HG21 THR 81 3HG2 THR 81 -8.453 0.302 11.733 619 HG22 THR 81 1HG2 THR 81 -8.733 -1.332 12.357 620 HG23 THR 81 2HG2 THR 81 -7.113 -0.860 11.802 621 H ASP 82 H ASP 82 -10.639 -3.260 9.752 622 HA ASP 82 HA ASP 82 -10.450 -4.848 7.322 623 HB2 ASP 82 1HB ASP 82 -12.902 -3.863 8.825 624 HB3 ASP 82 2HB ASP 82 -12.867 -5.139 7.607 625 H ASP 83 H ASP 83 -10.360 -1.607 7.640 626 HA ASP 83 HA ASP 83 -11.259 -1.178 4.835 627 HB2 ASP 83 1HB ASP 83 -12.756 0.036 6.453 628 HB3 ASP 83 2HB ASP 83 -11.351 0.943 7.015 629 H ILE 84 H ILE 84 -9.640 -0.602 3.592 630 HA ILE 84 HA ILE 84 -6.928 -0.686 4.537 631 HB ILE 84 HB ILE 84 -6.319 -0.572 2.229 632 HG12 ILE 84 1HG1 ILE 84 -9.131 0.455 1.628 633 HG13 ILE 84 2HG1 ILE 84 -7.650 1.411 1.626 634 HG21 ILE 84 1HG2 ILE 84 -7.566 -2.643 2.984 635 HG22 ILE 84 2HG2 ILE 84 -9.033 -1.974 2.258 636 HG23 ILE 84 3HG2 ILE 84 -7.649 -2.368 1.245 637 HD11 ILE 84 3HD1 ILE 84 -8.275 0.922 -0.617 638 HD12 ILE 84 1HD1 ILE 84 -6.736 0.107 -0.215 639 HD13 ILE 84 2HD1 ILE 84 -8.260 -0.821 -0.313 640 H THR 85 H THR 85 -9.061 1.944 4.439 641 HA THR 85 HA THR 85 -7.698 4.051 3.320 642 HB THR 85 HB THR 85 -9.994 4.105 3.976 643 HG1 THR 85 1HG THR 85 -9.971 6.261 4.580 644 HG21 THR 85 3HG2 THR 85 -10.748 4.598 6.203 645 HG22 THR 85 1HG2 THR 85 -9.787 3.115 6.273 646 HG23 THR 85 2HG2 THR 85 -9.083 4.654 6.825 647 H LYS 86 H LYS 86 -7.158 2.964 6.686 648 HA LYS 86 HA LYS 86 -5.435 5.155 7.380 649 HB2 LYS 86 1HB LYS 86 -5.764 2.337 8.436 650 HB3 LYS 86 2HB LYS 86 -4.618 3.477 9.144 651 HG2 LYS 86 1HG LYS 86 -6.196 4.581 10.270 652 HG3 LYS 86 2HG LYS 86 -7.214 4.791 8.844 653 HD2 LYS 86 1HD LYS 86 -8.136 2.539 9.114 654 HD3 LYS 86 2HD LYS 86 -7.139 2.268 10.548 655 HE2 LYS 86 1HE LYS 86 -9.271 4.430 10.280 656 HE3 LYS 86 2HE LYS 86 -9.502 2.864 11.066 657 HZ1 LYS 86 3HZ LYS 86 -8.994 4.506 12.721 658 HZ2 LYS 86 1HZ LYS 86 -7.711 3.492 12.648 659 HZ3 LYS 86 2HZ LYS 86 -7.626 4.974 11.965 660 H ALA 87 H ALA 87 -4.787 2.228 5.540 661 HA ALA 87 HA ALA 87 -1.856 2.728 5.476 662 HB1 ALA 87 1HB ALA 87 -2.875 0.390 5.649 663 HB2 ALA 87 2HB ALA 87 -3.501 0.616 3.997 664 HB3 ALA 87 3HB ALA 87 -1.747 0.629 4.310 665 H ALA 88 H ALA 88 -4.702 2.855 3.319 666 HA ALA 88 HA ALA 88 -3.338 3.598 0.960 667 HB1 ALA 88 1HB ALA 88 -5.680 2.728 1.145 668 HB2 ALA 88 2HB ALA 88 -6.184 4.310 1.800 669 HB3 ALA 88 3HB ALA 88 -5.544 4.185 0.156 670 H LYS 89 H LYS 89 -4.777 5.780 3.453 671 HA LYS 89 HA LYS 89 -4.096 8.222 2.103 672 HB2 LYS 89 1HB LYS 89 -4.584 7.501 5.013 673 HB3 LYS 89 2HB LYS 89 -4.331 9.164 4.458 674 HG2 LYS 89 1HG LYS 89 -6.311 9.091 3.048 675 HG3 LYS 89 2HG LYS 89 -6.526 7.368 3.331 676 HD2 LYS 89 1HD LYS 89 -8.130 8.593 4.670 677 HD3 LYS 89 2HD LYS 89 -6.988 7.744 5.699 678 HE2 LYS 89 1HE LYS 89 -7.373 9.898 6.670 679 HE3 LYS 89 2HE LYS 89 -5.724 9.883 6.047 680 HZ1 LYS 89 3HZ LYS 89 -6.899 11.935 5.476 681 HZ2 LYS 89 1HZ LYS 89 -6.532 11.129 4.104 682 HZ3 LYS 89 2HZ LYS 89 -8.064 11.112 4.683 683 H CYS 90 H CYS 90 -2.206 6.197 4.329 684 HA CYS 90 HA CYS 90 0.091 8.003 4.470 685 HB2 CYS 90 1HB CYS 90 -0.335 6.379 6.203 686 HB3 CYS 90 2HB CYS 90 -0.275 5.043 5.054 687 H ALA 91 H ALA 91 -0.779 5.201 2.390 688 HA ALA 91 HA ALA 91 1.548 5.176 0.795 689 HB1 ALA 91 1HB ALA 91 -0.208 3.422 0.877 690 HB2 ALA 91 2HB ALA 91 -1.303 4.490 -0.015 691 HB3 ALA 91 3HB ALA 91 0.187 3.920 -0.783 692 H LYS 92 H LYS 92 -1.414 7.281 0.346 693 HA LYS 92 HA LYS 92 -0.416 8.575 -1.988 694 HB2 LYS 92 1HB LYS 92 -2.029 9.891 0.234 695 HB3 LYS 92 2HB LYS 92 -1.883 10.423 -1.433 696 HG2 LYS 92 1HG LYS 92 -3.387 8.029 -0.366 697 HG3 LYS 92 2HG LYS 92 -4.030 9.453 -1.100 698 HD2 LYS 92 1HD LYS 92 -2.523 7.190 -2.443 699 HD3 LYS 92 2HD LYS 92 -4.211 7.618 -2.642 700 HE2 LYS 92 1HE LYS 92 -1.845 9.326 -3.560 701 HE3 LYS 92 2HE LYS 92 -2.789 8.255 -4.593 702 HZ1 LYS 92 3HZ LYS 92 -3.531 10.566 -4.746 703 HZ2 LYS 92 1HZ LYS 92 -4.739 9.624 -4.195 704 HZ3 LYS 92 2HZ LYS 92 -3.920 10.598 -3.160 705 H LYS 93 H LYS 93 0.209 9.397 1.474 706 HA LYS 93 HA LYS 93 1.837 11.676 0.786 707 HB2 LYS 93 1HB LYS 93 0.664 11.353 2.968 708 HB3 LYS 93 2HB LYS 93 1.888 10.149 3.413 709 HG2 LYS 93 1HG LYS 93 3.666 11.827 3.234 710 HG3 LYS 93 2HG LYS 93 2.544 12.998 2.524 711 HD2 LYS 93 1HD LYS 93 1.289 13.055 4.690 712 HD3 LYS 93 2HD LYS 93 2.527 11.977 5.389 713 HE2 LYS 93 1HE LYS 93 4.290 13.619 4.804 714 HE3 LYS 93 2HE LYS 93 3.084 14.685 4.075 715 HZ1 LYS 93 3HZ LYS 93 3.678 15.350 6.336 716 HZ2 LYS 93 1HZ LYS 93 2.087 14.961 6.266 717 HZ3 LYS 93 2HZ LYS 93 3.167 13.924 6.940 718 H ILE 94 H ILE 94 2.628 8.254 1.045 719 HA ILE 94 HA ILE 94 5.514 8.655 0.711 720 HB ILE 94 HB ILE 94 3.761 6.242 0.081 721 HG12 ILE 94 1HG1 ILE 94 5.672 6.716 2.403 722 HG13 ILE 94 2HG1 ILE 94 3.951 6.981 2.536 723 HG21 ILE 94 1HG2 ILE 94 5.783 6.209 -1.287 724 HG22 ILE 94 2HG2 ILE 94 6.785 6.645 0.107 725 HG23 ILE 94 3HG2 ILE 94 5.995 5.048 0.018 726 HD11 ILE 94 3HD1 ILE 94 4.424 4.830 3.466 727 HD12 ILE 94 1HD1 ILE 94 3.536 4.579 1.953 728 HD13 ILE 94 2HD1 ILE 94 5.294 4.306 2.017 729 H TYR 95 H TYR 95 2.854 7.959 -1.628 730 HA TYR 95 HA TYR 95 4.394 8.063 -3.962 731 HB2 TYR 95 1HB TYR 95 2.381 7.206 -4.357 732 HB3 TYR 95 2HB TYR 95 1.532 8.263 -3.244 733 HD1 TYR 95 2HD TYR 95 1.017 10.669 -3.941 734 HD2 TYR 95 1HD TYR 95 2.142 7.552 -6.694 735 HE1 TYR 95 2HE TYR 95 0.051 11.983 -5.821 736 HE2 TYR 95 1HE TYR 95 1.215 8.875 -8.579 737 HH TYR 95 HH TYR 95 0.148 10.818 -9.214 738 H LYS 96 H LYS 96 3.120 10.778 -2.123 739 HA LYS 96 HA LYS 96 3.772 12.965 -3.768 740 HB2 LYS 96 1HB LYS 96 3.129 12.309 -0.973 741 HB3 LYS 96 2HB LYS 96 4.325 13.573 -1.025 742 HG2 LYS 96 1HG LYS 96 2.133 14.548 -0.946 743 HG3 LYS 96 2HG LYS 96 2.882 14.920 -2.507 744 HD2 LYS 96 1HD LYS 96 1.477 13.164 -3.592 745 HD3 LYS 96 2HD LYS 96 0.814 12.736 -2.011 746 HE2 LYS 96 1HE LYS 96 -0.809 14.091 -3.129 747 HE3 LYS 96 2HE LYS 96 -0.145 15.018 -1.782 748 HZ1 LYS 96 3HZ LYS 96 -0.323 16.348 -3.806 749 HZ2 LYS 96 1HZ LYS 96 1.246 16.220 -3.380 750 HZ3 LYS 96 2HZ LYS 96 0.657 15.335 -4.629 751 H ARG 97 H ARG 97 6.037 10.823 -2.218 752 HA ARG 97 HA ARG 97 8.316 12.639 -2.966 753 HB2 ARG 97 1HB ARG 97 8.210 10.447 -0.858 754 HB3 ARG 97 2HB ARG 97 9.640 11.375 -1.288 755 HG2 ARG 97 1HG ARG 97 7.116 12.569 -0.041 756 HG3 ARG 97 2HG ARG 97 8.549 12.060 0.835 757 HD2 ARG 97 1HD ARG 97 8.739 14.392 0.641 758 HD3 ARG 97 2HD ARG 97 9.912 13.714 -0.500 759 HE ARG 97 HE ARG 97 7.437 14.192 -1.852 760 HH11 ARG 97 1HH1 ARG 97 10.079 16.126 -0.511 761 HH12 ARG 97 2HH1 ARG 97 9.816 17.409 -1.655 762 HH21 ARG 97 1HH2 ARG 97 7.165 15.804 -3.265 763 HH22 ARG 97 2HH2 ARG 97 8.160 17.238 -3.206 764 H HIS 98 H HIS 98 7.094 9.313 -2.980 765 HA HIS 98 HA HIS 98 8.773 8.633 -5.352 766 HB2 HIS 98 1HB HIS 98 8.588 7.064 -2.749 767 HB3 HIS 98 2HB HIS 98 9.357 6.487 -4.224 768 HD2 HIS 98 2HD HIS 98 10.060 8.377 -1.086 769 HE1 HIS 98 1HE HIS 98 13.448 9.094 -3.564 770 HE2 HIS 98 2HE HIS 98 12.518 9.316 -1.203 771 H ARG 99 H ARG 99 6.876 8.684 -6.634 772 HA ARG 99 HA ARG 99 4.362 7.909 -6.081 773 HB2 ARG 99 1HB ARG 99 3.875 7.720 -8.366 774 HB3 ARG 99 2HB ARG 99 4.812 9.145 -7.923 775 HG2 ARG 99 1HG ARG 99 6.872 8.087 -8.867 776 HG3 ARG 99 2HG ARG 99 5.900 6.657 -9.329 777 HD2 ARG 99 1HD ARG 99 4.350 8.135 -10.538 778 HD3 ARG 99 2HD ARG 99 5.358 9.530 -10.126 779 HE ARG 99 HE ARG 99 7.057 7.669 -11.396 780 HH11 ARG 99 1HH2 ARG 99 4.254 9.591 -12.384 781 HH12 ARG 99 2HH2 ARG 99 4.749 9.621 -14.050 782 HH21 ARG 99 1HH1 ARG 99 7.637 7.749 -13.560 783 HH22 ARG 99 2HH1 ARG 99 6.639 8.596 -14.702 784 H PHE 100 H PHE 100 6.766 5.653 -7.408 785 HA PHE 100 HA PHE 100 5.288 3.373 -6.197 786 HB2 PHE 100 1HB PHE 100 6.417 3.326 -9.005 787 HB3 PHE 100 2HB PHE 100 5.570 2.031 -8.157 788 HD1 PHE 100 1HD PHE 100 3.129 2.626 -7.304 789 HD2 PHE 100 2HD PHE 100 5.171 4.622 -10.533 790 HE1 PHE 100 1HE PHE 100 0.963 3.396 -8.191 791 HE2 PHE 100 2HE PHE 100 2.991 5.416 -11.414 792 HZ PHE 100 HZ PHE 100 0.881 4.800 -10.243 793 H ASP 101 H ASP 101 8.289 4.972 -6.750 794 HA ASP 101 HA ASP 101 10.063 2.750 -6.858 795 HB2 ASP 101 1HB ASP 101 10.471 5.040 -7.740 796 HB3 ASP 101 2HB ASP 101 10.577 5.649 -6.090 797 H ALA 102 H ALA 102 8.416 4.051 -4.145 798 HA ALA 102 HA ALA 102 10.304 3.299 -2.066 799 HB1 ALA 102 1HB ALA 102 8.598 5.011 -1.696 800 HB2 ALA 102 2HB ALA 102 7.303 3.832 -2.001 801 HB3 ALA 102 3HB ALA 102 8.352 3.659 -0.583 802 H TRP 103 H TRP 103 8.501 1.378 -4.195 803 HA TRP 103 HA TRP 103 8.616 -0.988 -2.367 804 HB2 TRP 103 1HB TRP 103 6.477 -0.281 -4.407 805 HB3 TRP 103 2HB TRP 103 6.541 -1.753 -3.451 806 HD1 TRP 103 HD TRP 103 5.986 -1.579 -0.856 807 HE1 TRP 103 1HE TRP 103 4.448 -0.024 0.442 808 HE3 TRP 103 3HE TRP 103 5.834 2.309 -4.171 809 HZ2 TRP 103 2HZ TRP 103 3.266 2.613 0.080 810 HZ3 TRP 103 3HZ TRP 103 4.488 4.329 -3.682 811 HH2 TRP 103 HH TRP 103 3.169 4.480 -1.577 812 H TYR 104 H TYR 104 9.825 -2.544 -3.018 813 HA TYR 104 HA TYR 104 11.397 -2.227 -5.358 814 HB2 TYR 104 1HB TYR 104 12.053 -3.069 -3.073 815 HB3 TYR 104 2HB TYR 104 11.269 -4.596 -3.461 816 HD1 TYR 104 2HD TYR 104 13.767 -2.163 -4.836 817 HD2 TYR 104 1HD TYR 104 12.635 -6.292 -4.384 818 HE1 TYR 104 2HE TYR 104 15.894 -2.860 -5.951 819 HE2 TYR 104 1HE TYR 104 14.767 -7.003 -5.463 820 HH TYR 104 HH TYR 104 17.182 -4.634 -6.667 821 H GLY 105 H GLY 105 8.778 -4.562 -4.722 822 HA2 GLY 105 1HA GLY 105 9.232 -6.252 -7.008 823 HA3 GLY 105 2HA GLY 105 7.724 -6.106 -6.114 824 H TRP 106 H TRP 106 7.623 -3.105 -6.750 825 HA TRP 106 HA TRP 106 6.133 -3.329 -9.184 826 HB2 TRP 106 1HB TRP 106 5.453 -1.713 -7.626 827 HB3 TRP 106 2HB TRP 106 7.035 -0.932 -7.601 828 HD1 TRP 106 HD TRP 106 3.891 -1.246 -9.773 829 HE1 TRP 106 1HE TRP 106 3.956 0.503 -11.655 830 HE3 TRP 106 3HE TRP 106 8.570 0.624 -8.957 831 HZ2 TRP 106 2HZ TRP 106 5.828 2.468 -12.683 832 HZ3 TRP 106 3HZ TRP 106 9.515 2.365 -10.429 833 HH2 TRP 106 HH TRP 106 8.148 3.311 -12.296 834 H LYS 107 H LYS 107 9.360 -1.994 -8.445 835 HA LYS 107 HA LYS 107 9.938 -1.362 -11.241 836 HB2 LYS 107 1HB LYS 107 12.128 -0.622 -10.363 837 HB3 LYS 107 2HB LYS 107 10.732 0.182 -9.662 838 HG2 LYS 107 1HG LYS 107 10.896 -1.282 -7.652 839 HG3 LYS 107 2HG LYS 107 12.372 -2.006 -8.318 840 HD2 LYS 107 1HD LYS 107 11.924 0.918 -7.583 841 HD3 LYS 107 2HD LYS 107 12.813 -0.264 -6.617 842 HE2 LYS 107 1HE LYS 107 14.495 -0.514 -8.421 843 HE3 LYS 107 2HE LYS 107 13.594 0.631 -9.428 844 HZ1 LYS 107 3HZ LYS 107 15.379 1.770 -8.300 845 HZ2 LYS 107 1HZ LYS 107 13.945 2.321 -7.717 846 HZ3 LYS 107 2HZ LYS 107 14.852 1.286 -6.828 847 H ASN 108 H ASN 108 10.397 -4.217 -9.329 848 HA ASN 108 HA ASN 108 12.388 -5.295 -11.249 849 HB2 ASN 108 1HB ASN 108 11.306 -6.237 -8.581 850 HB3 ASN 108 2HB ASN 108 12.194 -7.303 -9.658 851 HD21 ASN 108 2HD2 ASN 108 14.078 -7.571 -8.475 852 HD22 ASN 108 1HD2 ASN 108 15.149 -6.235 -8.080 853 H HIS 109 H HIS 109 8.946 -5.840 -10.426 854 HA HIS 109 HA HIS 109 8.845 -7.978 -12.536 855 HB2 HIS 109 1HB HIS 109 7.237 -7.783 -9.970 856 HB3 HIS 109 2HB HIS 109 7.246 -9.111 -11.126 857 HD2 HIS 109 2HD HIS 109 8.613 -8.311 -7.879 858 HE1 HIS 109 1HE HIS 109 11.595 -10.854 -9.538 859 HE2 HIS 109 2HE HIS 109 10.744 -9.777 -7.390 860 H CYS 110 H CYS 110 7.012 -5.215 -11.190 861 HA CYS 110 HA CYS 110 4.737 -5.703 -12.968 862 HB2 CYS 110 1HB CYS 110 5.277 -3.282 -11.235 863 HB3 CYS 110 2HB CYS 110 3.743 -3.791 -11.914 864 H GLN 111 H GLN 111 7.692 -4.456 -13.762 865 HA GLN 111 HA GLN 111 6.877 -2.196 -15.426 866 HB2 GLN 111 1HB GLN 111 9.436 -3.863 -15.459 867 HB3 GLN 111 2HB GLN 111 9.195 -2.324 -16.281 868 HG2 GLN 111 1HG GLN 111 9.220 -2.762 -13.267 869 HG3 GLN 111 2HG GLN 111 10.496 -2.039 -14.231 870 HE21 GLN 111 2HE2 GLN 111 7.729 -1.322 -12.351 871 HE22 GLN 111 1HE2 GLN 111 7.598 0.361 -12.850 872 H GLY 112 H GLY 112 7.306 -5.688 -15.999 873 HA2 GLY 112 1HA GLY 112 7.228 -5.399 -18.920 874 HA3 GLY 112 2HA GLY 112 7.331 -6.904 -17.979 875 H SER 113 H SER 113 4.924 -6.268 -16.390 876 HA SER 113 HA SER 113 2.673 -6.407 -18.312 877 HB2 SER 113 1HB SER 113 3.505 -8.716 -16.506 878 HB3 SER 113 2HB SER 113 1.938 -8.582 -17.314 879 HG SER 113 HG SER 113 3.431 -9.892 -18.492 880 H LEU 114 H LEU 114 0.891 -5.500 -17.444 881 HA LEU 114 HA LEU 114 0.500 -5.456 -14.489 882 HB2 LEU 114 1HB LEU 114 -0.240 -3.433 -16.647 883 HB3 LEU 114 2HB LEU 114 -0.836 -3.357 -14.997 884 HG LEU 114 HG LEU 114 2.129 -3.237 -15.713 885 HD11 LEU 114 1HD1 LEU 114 0.894 -1.357 -16.683 886 HD12 LEU 114 2HD1 LEU 114 0.163 -0.999 -15.098 887 HD13 LEU 114 3HD1 LEU 114 1.918 -0.819 -15.339 888 HD21 LEU 114 3HD2 LEU 114 2.320 -2.275 -13.401 889 HD22 LEU 114 1HD2 LEU 114 0.604 -2.646 -13.130 890 HD23 LEU 114 2HD2 LEU 114 1.777 -3.956 -13.399 891 HA PRO 115 HA PRO 115 -3.267 -7.655 -15.389 892 HB2 PRO 115 1HB PRO 115 -4.841 -7.057 -13.255 893 HB3 PRO 115 2HB PRO 115 -3.351 -8.044 -13.100 894 HG2 PRO 115 1HG PRO 115 -3.678 -5.068 -12.577 895 HG3 PRO 115 2HG PRO 115 -2.914 -6.302 -11.519 896 HD2 PRO 115 1HD PRO 115 -1.451 -4.728 -13.201 897 HD3 PRO 115 2HD PRO 115 -1.010 -6.440 -12.897 898 H ASP 116 H ASP 116 -5.406 -7.370 -16.141 899 HA ASP 116 HA ASP 116 -6.149 -4.702 -17.107 900 HB2 ASP 116 1HB ASP 116 -6.473 -6.629 -18.546 901 HB3 ASP 116 2HB ASP 116 -7.462 -7.429 -17.320 902 H ILE 117 H ILE 117 -7.795 -3.510 -16.461 903 HA ILE 117 HA ILE 117 -9.421 -4.213 -14.044 904 HB ILE 117 HB ILE 117 -9.156 -1.921 -13.227 905 HG12 ILE 117 1HG1 ILE 117 -7.058 -1.520 -15.414 906 HG13 ILE 117 2HG1 ILE 117 -8.704 -0.902 -15.516 907 HG21 ILE 117 1HG2 ILE 117 -7.633 -3.735 -12.431 908 HG22 ILE 117 2HG2 ILE 117 -6.418 -3.205 -13.612 909 HG23 ILE 117 3HG2 ILE 117 -6.926 -2.121 -12.302 910 HD11 ILE 117 3HD1 ILE 117 -7.263 0.846 -14.786 911 HD12 ILE 117 1HD1 ILE 117 -8.367 0.405 -13.463 912 HD13 ILE 117 2HD1 ILE 117 -6.665 -0.141 -13.433 913 H SER 118 H SER 118 -9.579 -3.415 -17.269 914 HA SER 118 HA SER 118 -11.610 -1.377 -17.257 915 HB2 SER 118 1HB SER 118 -11.851 -1.848 -19.626 916 HB3 SER 118 2HB SER 118 -10.150 -1.739 -19.170 917 HG SER 118 HG SER 118 -9.987 -3.990 -19.270 918 H SER 119 H SER 119 -11.938 -4.670 -16.452 919 HA SER 119 HA SER 119 -14.834 -4.846 -16.986 920 HB2 SER 119 1HB SER 119 -14.541 -7.030 -15.801 921 HB3 SER 119 2HB SER 119 -13.530 -6.843 -17.245 922 HG SER 119 HG SER 119 -12.353 -7.712 -15.451 923 H CYS 120 H CYS 120 -12.885 -3.426 -14.565 924 HA CYS 120 HA CYS 120 -14.685 -3.972 -12.300 925 HB2 CYS 120 1HB CYS 120 -12.159 -2.309 -12.453 926 HB3 CYS 120 2HB CYS 120 -12.963 -2.869 -10.993 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -9.334 -7.493 10.213 2 H2 GLY 1 2H GLY 1 -8.096 -8.554 10.438 3 H3 GLY 1 3H GLY 1 -7.856 -6.945 10.703 4 HA2 GLY 1 1HA GLY 1 -8.253 -6.452 8.394 5 HA3 GLY 1 2HA GLY 1 -6.860 -7.520 8.624 6 H LYS 2 H LYS 2 -7.967 -7.434 6.202 7 HA LYS 2 HA LYS 2 -9.187 -10.059 5.737 8 HB2 LYS 2 1HB LYS 2 -11.183 -9.215 4.674 9 HB3 LYS 2 2HB LYS 2 -11.117 -8.592 6.321 10 HG2 LYS 2 1HG LYS 2 -10.267 -6.411 5.477 11 HG3 LYS 2 2HG LYS 2 -10.329 -7.019 3.820 12 HD2 LYS 2 1HD LYS 2 -12.747 -6.754 5.650 13 HD3 LYS 2 2HD LYS 2 -12.243 -5.563 4.440 14 HE2 LYS 2 1HE LYS 2 -12.468 -7.274 2.647 15 HE3 LYS 2 2HE LYS 2 -13.032 -8.449 3.844 16 HZ1 LYS 2 3HZ LYS 2 -14.887 -7.383 2.711 17 HZ2 LYS 2 1HZ LYS 2 -14.922 -6.986 4.294 18 HZ3 LYS 2 2HZ LYS 2 -14.401 -5.899 3.187 19 H THR 3 H THR 3 -9.478 -10.534 3.439 20 HA THR 3 HA THR 3 -7.406 -9.225 1.749 21 HB THR 3 HB THR 3 -8.581 -11.971 1.275 22 HG1 THR 3 1HG THR 3 -6.795 -12.743 2.403 23 HG21 THR 3 3HG2 THR 3 -6.373 -12.247 0.099 24 HG22 THR 3 1HG2 THR 3 -7.352 -10.959 -0.616 25 HG23 THR 3 2HG2 THR 3 -6.001 -10.546 0.459 26 H PHE 4 H PHE 4 -7.886 -8.282 -0.066 27 HA PHE 4 HA PHE 4 -10.704 -8.103 -0.998 28 HB2 PHE 4 1HB PHE 4 -8.223 -6.404 -1.459 29 HB3 PHE 4 2HB PHE 4 -9.715 -6.137 -2.319 30 HD1 PHE 4 1HD PHE 4 -8.293 -6.254 1.176 31 HD2 PHE 4 2HD PHE 4 -11.412 -4.745 -1.405 32 HE1 PHE 4 1HE PHE 4 -9.204 -4.917 3.046 33 HE2 PHE 4 2HE PHE 4 -12.313 -3.415 0.473 34 HZ PHE 4 HZ PHE 4 -11.228 -3.512 2.712 35 H THR 5 H THR 5 -11.120 -8.136 -3.252 36 HA THR 5 HA THR 5 -9.335 -9.861 -4.933 37 HB THR 5 HB THR 5 -11.633 -10.706 -4.639 38 HG1 THR 5 1HG THR 5 -11.816 -11.089 -6.846 39 HG21 THR 5 3HG2 THR 5 -13.513 -9.657 -5.752 40 HG22 THR 5 1HG2 THR 5 -12.868 -8.498 -4.583 41 HG23 THR 5 2HG2 THR 5 -12.512 -8.312 -6.318 42 H ARG 6 H ARG 6 -9.095 -9.091 -7.241 43 HA ARG 6 HA ARG 6 -7.993 -6.491 -7.210 44 HB2 ARG 6 1HB ARG 6 -7.395 -8.325 -8.786 45 HB3 ARG 6 2HB ARG 6 -8.878 -8.006 -9.695 46 HG2 ARG 6 1HG ARG 6 -8.116 -5.680 -10.132 47 HG3 ARG 6 2HG ARG 6 -6.662 -5.957 -9.164 48 HD2 ARG 6 1HD ARG 6 -7.408 -7.446 -11.712 49 HD3 ARG 6 2HD ARG 6 -6.274 -6.093 -11.614 50 HE ARG 6 HE ARG 6 -5.091 -7.685 -9.844 51 HH11 ARG 6 1HH1 ARG 6 -6.539 -8.833 -12.876 52 HH12 ARG 6 2HH1 ARG 6 -5.407 -10.145 -13.002 53 HH21 ARG 6 1HH2 ARG 6 -3.586 -9.214 -10.171 54 HH22 ARG 6 2HH2 ARG 6 -3.759 -10.388 -11.461 55 H CYS 7 H CYS 7 -11.169 -7.497 -8.574 56 HA CYS 7 HA CYS 7 -11.997 -4.913 -9.456 57 HB2 CYS 7 1HB CYS 7 -13.720 -7.210 -8.454 58 HB3 CYS 7 2HB CYS 7 -14.258 -5.856 -9.445 59 H GLY 8 H GLY 8 -12.203 -6.367 -6.229 60 HA2 GLY 8 1HA GLY 8 -13.808 -4.238 -5.040 61 HA3 GLY 8 2HA GLY 8 -12.881 -5.499 -4.184 62 H LEU 9 H LEU 9 -10.295 -5.038 -5.092 63 HA LEU 9 HA LEU 9 -9.403 -2.808 -3.589 64 HB2 LEU 9 1HB LEU 9 -8.127 -4.899 -4.046 65 HB3 LEU 9 2HB LEU 9 -8.014 -4.462 -5.752 66 HG LEU 9 HG LEU 9 -6.727 -2.436 -5.152 67 HD11 LEU 9 1HD1 LEU 9 -7.543 -1.939 -2.921 68 HD12 LEU 9 2HD1 LEU 9 -6.992 -3.513 -2.319 69 HD13 LEU 9 3HD1 LEU 9 -5.812 -2.263 -2.804 70 HD21 LEU 9 3HD2 LEU 9 -4.659 -3.550 -4.639 71 HD22 LEU 9 1HD2 LEU 9 -5.514 -4.925 -3.905 72 HD23 LEU 9 2HD2 LEU 9 -5.616 -4.634 -5.658 73 H VAL 10 H VAL 10 -9.617 -3.161 -7.178 74 HA VAL 10 HA VAL 10 -8.755 -0.580 -7.928 75 HB VAL 10 HB VAL 10 -10.912 -2.369 -9.116 76 HG11 VAL 10 1HG1 VAL 10 -11.587 -0.224 -9.904 77 HG12 VAL 10 2HG1 VAL 10 -9.924 0.309 -10.148 78 HG13 VAL 10 3HG1 VAL 10 -10.631 -0.914 -11.214 79 HG21 VAL 10 3HG2 VAL 10 -9.239 -2.783 -10.864 80 HG22 VAL 10 1HG2 VAL 10 -8.106 -1.666 -10.082 81 HG23 VAL 10 2HG2 VAL 10 -8.565 -3.177 -9.287 82 H HIS 11 H HIS 11 -12.027 -1.584 -6.876 83 HA HIS 11 HA HIS 11 -13.225 1.047 -7.039 84 HB2 HIS 11 1HB HIS 11 -14.017 -1.499 -5.580 85 HB3 HIS 11 2HB HIS 11 -14.979 -0.035 -5.566 86 HD2 HIS 11 2HD HIS 11 -13.575 -0.433 -9.020 87 HE1 HIS 11 1HE HIS 11 -17.418 -2.256 -9.137 88 HE2 HIS 11 2HE HIS 11 -15.495 -1.400 -10.555 89 H GLU 12 H GLU 12 -11.777 -0.750 -4.300 90 HA GLU 12 HA GLU 12 -12.447 1.128 -2.275 91 HB2 GLU 12 1HB GLU 12 -11.431 -1.365 -2.258 92 HB3 GLU 12 2HB GLU 12 -9.921 -0.499 -2.089 93 HG2 GLU 12 1HG GLU 12 -10.873 -1.183 0.068 94 HG3 GLU 12 2HG GLU 12 -10.770 0.580 -0.056 95 H LEU 13 H LEU 13 -9.534 0.891 -4.326 96 HA LEU 13 HA LEU 13 -8.245 3.227 -3.192 97 HB2 LEU 13 1HB LEU 13 -7.897 1.830 -5.857 98 HB3 LEU 13 2HB LEU 13 -6.747 2.963 -5.153 99 HG LEU 13 HG LEU 13 -7.505 0.304 -3.915 100 HD11 LEU 13 1HD1 LEU 13 -6.350 -0.002 -6.027 101 HD12 LEU 13 2HD1 LEU 13 -5.079 1.147 -5.527 102 HD13 LEU 13 3HD1 LEU 13 -5.258 -0.414 -4.687 103 HD21 LEU 13 3HD2 LEU 13 -5.588 0.587 -2.466 104 HD22 LEU 13 1HD2 LEU 13 -5.245 2.185 -3.179 105 HD23 LEU 13 2HD2 LEU 13 -6.723 1.920 -2.224 106 H ARG 14 H ARG 14 -10.364 2.760 -6.029 107 HA ARG 14 HA ARG 14 -10.313 5.462 -6.983 108 HB2 ARG 14 1HB ARG 14 -12.419 3.293 -7.100 109 HB3 ARG 14 2HB ARG 14 -12.735 4.905 -7.739 110 HG2 ARG 14 1HG ARG 14 -11.004 4.752 -9.371 111 HG3 ARG 14 2HG ARG 14 -10.346 3.274 -8.651 112 HD2 ARG 14 1HD ARG 14 -12.367 2.036 -9.182 113 HD3 ARG 14 2HD ARG 14 -13.147 3.502 -9.822 114 HE ARG 14 HE ARG 14 -10.756 3.125 -11.257 115 HH11 ARG 14 1HH1 ARG 14 -13.885 1.487 -10.916 116 HH12 ARG 14 2HH1 ARG 14 -13.693 0.623 -12.428 117 HH21 ARG 14 1HH2 ARG 14 -10.662 2.010 -13.269 118 HH22 ARG 14 2HH2 ARG 14 -11.968 0.937 -13.699 119 H LYS 15 H LYS 15 -12.371 4.001 -4.405 120 HA LYS 15 HA LYS 15 -13.741 6.471 -3.722 121 HB2 LYS 15 1HB LYS 15 -13.198 3.902 -2.190 122 HB3 LYS 15 2HB LYS 15 -14.176 5.222 -1.552 123 HG2 LYS 15 1HG LYS 15 -15.780 5.023 -3.389 124 HG3 LYS 15 2HG LYS 15 -14.840 3.730 -4.129 125 HD2 LYS 15 1HD LYS 15 -16.169 3.617 -1.384 126 HD3 LYS 15 2HD LYS 15 -16.779 2.862 -2.866 127 HE2 LYS 15 1HE LYS 15 -14.716 1.472 -3.008 128 HE3 LYS 15 2HE LYS 15 -14.119 2.215 -1.519 129 HZ1 LYS 15 3HZ LYS 15 -15.097 0.116 -1.032 130 HZ2 LYS 15 1HZ LYS 15 -16.021 1.275 -0.351 131 HZ3 LYS 15 2HZ LYS 15 -16.540 0.525 -1.717 132 H HIS 16 H HIS 16 -10.712 4.991 -2.580 133 HA HIS 16 HA HIS 16 -10.301 7.005 -0.531 134 HB2 HIS 16 1HB HIS 16 -8.618 4.665 -1.509 135 HB3 HIS 16 2HB HIS 16 -8.202 5.699 -0.142 136 HD2 HIS 16 2HD HIS 16 -8.361 3.057 0.918 137 HE1 HIS 16 1HE HIS 16 -12.484 3.426 1.819 138 HE2 HIS 16 2HE HIS 16 -10.401 2.118 2.333 139 H GLY 17 H GLY 17 -9.864 7.396 -3.765 140 HA2 GLY 17 1HA GLY 17 -9.184 9.436 -4.690 141 HA3 GLY 17 2HA GLY 17 -8.223 9.802 -3.239 142 H PHE 18 H PHE 18 -7.956 6.829 -5.205 143 HA PHE 18 HA PHE 18 -5.152 7.516 -5.897 144 HB2 PHE 18 1HB PHE 18 -6.800 4.998 -6.048 145 HB3 PHE 18 2HB PHE 18 -5.229 5.134 -6.809 146 HD1 PHE 18 2HD PHE 18 -6.821 5.737 -3.419 147 HD2 PHE 18 1HD PHE 18 -3.329 4.539 -5.627 148 HE1 PHE 18 2HE PHE 18 -5.654 5.309 -1.320 149 HE2 PHE 18 1HE PHE 18 -2.177 3.979 -3.499 150 HZ PHE 18 HZ PHE 18 -3.335 4.351 -1.335 151 H GLU 19 H GLU 19 -4.342 7.306 -7.975 152 HA GLU 19 HA GLU 19 -5.866 8.836 -9.869 153 HB2 GLU 19 1HB GLU 19 -3.160 7.482 -10.142 154 HB3 GLU 19 2HB GLU 19 -3.808 8.732 -11.183 155 HG2 GLU 19 1HG GLU 19 -2.177 9.708 -9.772 156 HG3 GLU 19 2HG GLU 19 -3.759 10.332 -9.304 157 H GLU 20 H GLU 20 -7.240 8.038 -11.392 158 HA GLU 20 HA GLU 20 -7.651 5.283 -11.815 159 HB2 GLU 20 1HB GLU 20 -9.199 5.910 -13.559 160 HB3 GLU 20 2HB GLU 20 -9.373 6.968 -12.161 161 HG2 GLU 20 1HG GLU 20 -8.038 8.727 -13.359 162 HG3 GLU 20 2HG GLU 20 -7.941 7.666 -14.766 163 H ASN 21 H ASN 21 -5.436 7.435 -13.521 164 HA ASN 21 HA ASN 21 -4.884 5.514 -15.656 165 HB2 ASN 21 1HB ASN 21 -3.309 7.124 -16.452 166 HB3 ASN 21 2HB ASN 21 -4.794 7.963 -16.025 167 HD21 ASN 21 2HD2 ASN 21 -1.432 8.115 -15.746 168 HD22 ASN 21 1HD2 ASN 21 -1.356 9.193 -14.365 169 H LEU 22 H LEU 22 -3.821 5.816 -12.387 170 HA LEU 22 HA LEU 22 -1.396 4.125 -12.924 171 HB2 LEU 22 1HB LEU 22 -2.167 5.580 -10.385 172 HB3 LEU 22 2HB LEU 22 -0.671 4.735 -10.696 173 HG LEU 22 HG LEU 22 -1.568 7.343 -11.979 174 HD11 LEU 22 1HD1 LEU 22 -0.817 7.399 -9.581 175 HD12 LEU 22 2HD1 LEU 22 0.733 6.714 -10.076 176 HD13 LEU 22 3HD1 LEU 22 0.243 8.316 -10.674 177 HD21 LEU 22 3HD2 LEU 22 0.689 7.432 -13.005 178 HD22 LEU 22 1HD2 LEU 22 1.012 5.778 -12.457 179 HD23 LEU 22 2HD2 LEU 22 -0.266 6.091 -13.648 180 H MET 23 H MET 23 -4.644 3.762 -12.032 181 HA MET 23 HA MET 23 -4.653 2.120 -9.823 182 HB2 MET 23 1HB MET 23 -6.576 3.075 -11.195 183 HB3 MET 23 2HB MET 23 -6.439 1.668 -12.225 184 HG2 MET 23 1HG MET 23 -8.200 1.392 -10.524 185 HG3 MET 23 2HG MET 23 -6.935 0.185 -10.324 186 HE1 MET 23 3HE MET 23 -7.764 3.835 -7.656 187 HE2 MET 23 1HE MET 23 -6.593 4.045 -8.982 188 HE3 MET 23 2HE MET 23 -8.272 3.584 -9.334 189 H ARG 24 H ARG 24 -4.010 0.983 -13.165 190 HA ARG 24 HA ARG 24 -3.666 -1.773 -12.659 191 HB2 ARG 24 1HB ARG 24 -2.077 -0.027 -14.602 192 HB3 ARG 24 2HB ARG 24 -2.235 -1.786 -14.647 193 HG2 ARG 24 1HG ARG 24 -4.699 -1.522 -15.012 194 HG3 ARG 24 2HG ARG 24 -4.459 0.235 -15.070 195 HD2 ARG 24 1HD ARG 24 -4.579 -0.520 -17.315 196 HD3 ARG 24 2HD ARG 24 -2.893 -0.075 -16.993 197 HE ARG 24 HE ARG 24 -3.340 -2.878 -16.477 198 HH11 ARG 24 1HH1 ARG 24 -3.083 -0.692 -19.251 199 HH12 ARG 24 2HH1 ARG 24 -2.523 -1.950 -20.310 200 HH21 ARG 24 1HH2 ARG 24 -2.491 -4.442 -17.889 201 HH22 ARG 24 2HH2 ARG 24 -2.232 -4.036 -19.555 202 H ASN 25 H ASN 25 -1.195 0.842 -12.489 203 HA ASN 25 HA ASN 25 1.009 -0.761 -11.641 204 HB2 ASN 25 1HB ASN 25 0.478 2.177 -10.988 205 HB3 ASN 25 2HB ASN 25 1.997 1.327 -10.856 206 HD21 ASN 25 2HD2 ASN 25 3.239 2.493 -12.301 207 HD22 ASN 25 1HD2 ASN 25 2.850 2.609 -14.010 208 H TRP 26 H TRP 26 -1.419 1.125 -9.773 209 HA TRP 26 HA TRP 26 -0.346 0.584 -7.205 210 HB2 TRP 26 1HB TRP 26 -3.050 1.504 -8.221 211 HB3 TRP 26 2HB TRP 26 -2.771 1.203 -6.517 212 HD1 TRP 26 HD TRP 26 -2.804 4.006 -8.723 213 HE1 TRP 26 1HE TRP 26 -1.673 6.042 -7.625 214 HE3 TRP 26 3HE TRP 26 -0.165 1.567 -5.083 215 HZ2 TRP 26 2HZ TRP 26 0.183 6.520 -5.458 216 HZ3 TRP 26 3HZ TRP 26 1.229 2.828 -3.482 217 HH2 TRP 26 HH TRP 26 1.402 5.303 -3.640 218 H VAL 27 H VAL 27 -3.116 -1.092 -8.866 219 HA VAL 27 HA VAL 27 -3.401 -2.919 -6.667 220 HB VAL 27 HB VAL 27 -4.798 -4.319 -7.939 221 HG11 VAL 27 1HG1 VAL 27 -5.601 -2.045 -7.201 222 HG12 VAL 27 2HG1 VAL 27 -5.408 -1.503 -8.879 223 HG13 VAL 27 3HG1 VAL 27 -6.526 -2.819 -8.493 224 HG21 VAL 27 3HG2 VAL 27 -5.253 -3.995 -10.361 225 HG22 VAL 27 1HG2 VAL 27 -3.860 -2.897 -10.452 226 HG23 VAL 27 2HG2 VAL 27 -3.629 -4.607 -10.020 227 H CYS 28 H CYS 28 -1.324 -3.108 -9.569 228 HA CYS 28 HA CYS 28 -0.485 -5.825 -9.090 229 HB2 CYS 28 1HB CYS 28 -0.393 -4.451 -11.202 230 HB3 CYS 28 2HB CYS 28 1.038 -3.649 -10.564 231 H LEU 29 H LEU 29 0.995 -2.681 -8.212 232 HA LEU 29 HA LEU 29 3.206 -3.560 -6.687 233 HB2 LEU 29 1HB LEU 29 2.740 -1.279 -7.405 234 HB3 LEU 29 2HB LEU 29 1.321 -1.169 -6.400 235 HG LEU 29 HG LEU 29 4.140 -1.467 -5.290 236 HD11 LEU 29 1HD1 LEU 29 3.903 0.601 -6.614 237 HD12 LEU 29 2HD1 LEU 29 2.410 1.014 -5.745 238 HD13 LEU 29 3HD1 LEU 29 3.965 0.988 -4.898 239 HD21 LEU 29 3HD2 LEU 29 3.040 -0.412 -3.235 240 HD22 LEU 29 1HD2 LEU 29 1.471 -0.717 -3.994 241 HD23 LEU 29 2HD2 LEU 29 2.547 -2.065 -3.549 242 H VAL 30 H VAL 30 -0.126 -2.865 -5.529 243 HA VAL 30 HA VAL 30 0.280 -3.776 -2.876 244 HB VAL 30 HB VAL 30 -2.194 -3.485 -4.594 245 HG11 VAL 30 1HG1 VAL 30 -2.817 -5.222 -3.006 246 HG12 VAL 30 2HG1 VAL 30 -2.117 -4.287 -1.668 247 HG13 VAL 30 3HG1 VAL 30 -3.559 -3.700 -2.532 248 HG21 VAL 30 3HG2 VAL 30 -2.599 -1.534 -3.160 249 HG22 VAL 30 1HG2 VAL 30 -1.192 -1.941 -2.154 250 HG23 VAL 30 2HG2 VAL 30 -0.967 -1.422 -3.830 251 H GLU 31 H GLU 31 -0.874 -5.656 -5.731 252 HA GLU 31 HA GLU 31 -1.316 -8.097 -4.329 253 HB2 GLU 31 1HB GLU 31 -0.683 -7.414 -7.221 254 HB3 GLU 31 2HB GLU 31 -0.835 -9.097 -6.700 255 HG2 GLU 31 1HG GLU 31 -3.079 -8.813 -5.979 256 HG3 GLU 31 2HG GLU 31 -3.014 -7.057 -6.143 257 H HIS 32 H HIS 32 1.713 -6.801 -5.720 258 HA HIS 32 HA HIS 32 3.178 -9.238 -4.989 259 HB2 HIS 32 1HB HIS 32 3.855 -6.610 -6.260 260 HB3 HIS 32 2HB HIS 32 5.111 -7.789 -5.827 261 HD2 HIS 32 2HD HIS 32 3.255 -6.838 -8.746 262 HE1 HIS 32 1HE HIS 32 3.657 -11.039 -9.280 263 HE2 HIS 32 2HE HIS 32 3.038 -8.849 -10.431 264 H GLU 33 H GLU 33 2.529 -6.183 -3.393 265 HA GLU 33 HA GLU 33 4.643 -6.588 -1.382 266 HB2 GLU 33 1HB GLU 33 2.408 -4.557 -1.667 267 HB3 GLU 33 2HB GLU 33 3.426 -4.637 -0.241 268 HG2 GLU 33 1HG GLU 33 4.417 -4.150 -3.074 269 HG3 GLU 33 2HG GLU 33 4.174 -2.925 -1.841 270 H SER 34 H SER 34 0.988 -6.527 -1.144 271 HA SER 34 HA SER 34 1.274 -8.059 1.419 272 HB2 SER 34 1HB SER 34 -0.809 -7.019 2.064 273 HB3 SER 34 2HB SER 34 0.341 -5.768 1.585 274 HG SER 34 HG SER 34 -0.973 -5.197 0.056 275 H SER 35 H SER 35 0.247 -8.510 -1.768 276 HA SER 35 HA SER 35 -1.109 -9.948 -2.859 277 HB2 SER 35 1HB SER 35 -1.758 -11.498 -0.370 278 HB3 SER 35 2HB SER 35 -1.713 -12.042 -2.043 279 HG SER 35 HG SER 35 0.608 -11.805 -1.961 280 H ARG 36 H ARG 36 -2.179 -7.534 -1.367 281 HA ARG 36 HA ARG 36 -4.117 -6.422 -1.263 282 HB2 ARG 36 1HB ARG 36 -5.760 -8.782 -2.202 283 HB3 ARG 36 2HB ARG 36 -6.105 -7.061 -2.325 284 HG2 ARG 36 1HG ARG 36 -4.123 -6.900 -3.933 285 HG3 ARG 36 2HG ARG 36 -4.078 -8.653 -3.940 286 HD2 ARG 36 1HD ARG 36 -6.568 -7.064 -4.677 287 HD3 ARG 36 2HD ARG 36 -5.386 -7.632 -5.848 288 HE ARG 36 HE ARG 36 -6.980 -9.392 -4.019 289 HH11 ARG 36 1HH1 ARG 36 -5.490 -9.030 -7.261 290 HH12 ARG 36 2HH1 ARG 36 -5.938 -10.657 -7.682 291 HH21 ARG 36 1HH2 ARG 36 -7.435 -11.441 -4.658 292 HH22 ARG 36 2HH2 ARG 36 -7.055 -11.977 -6.266 293 H ASP 37 H ASP 37 -3.067 -8.000 0.932 294 HA ASP 37 HA ASP 37 -5.536 -8.587 2.552 295 HB2 ASP 37 1HB ASP 37 -4.346 -10.653 2.075 296 HB3 ASP 37 2HB ASP 37 -2.831 -9.940 2.612 297 H THR 38 H THR 38 -5.870 -7.166 4.124 298 HA THR 38 HA THR 38 -3.847 -5.216 4.839 299 HB THR 38 HB THR 38 -5.346 -4.426 6.599 300 HG1 THR 38 1HG THR 38 -7.294 -5.302 6.882 301 HG21 THR 38 3HG2 THR 38 -7.213 -3.685 5.198 302 HG22 THR 38 1HG2 THR 38 -5.672 -3.554 4.342 303 HG23 THR 38 2HG2 THR 38 -6.797 -4.894 3.967 304 H SER 39 H SER 39 -4.669 -8.378 6.185 305 HA SER 39 HA SER 39 -3.393 -7.901 8.762 306 HB2 SER 39 1HB SER 39 -4.310 -10.442 7.369 307 HB3 SER 39 2HB SER 39 -3.719 -10.346 9.026 308 HG SER 39 HG SER 39 -6.001 -10.294 8.937 309 H LYS 40 H LYS 40 -1.990 -8.328 5.707 310 HA LYS 40 HA LYS 40 0.008 -10.279 6.347 311 HB2 LYS 40 1HB LYS 40 -0.907 -9.613 4.045 312 HB3 LYS 40 2HB LYS 40 0.073 -8.167 4.155 313 HG2 LYS 40 1HG LYS 40 1.272 -9.765 2.834 314 HG3 LYS 40 2HG LYS 40 2.136 -9.590 4.333 315 HD2 LYS 40 1HD LYS 40 2.046 -11.931 3.576 316 HD3 LYS 40 2HD LYS 40 1.270 -11.742 5.134 317 HE2 LYS 40 1HE LYS 40 -0.038 -13.252 3.782 318 HE3 LYS 40 2HE LYS 40 -0.970 -11.783 4.057 319 HZ1 LYS 40 3HZ LYS 40 -1.061 -12.566 1.746 320 HZ2 LYS 40 1HZ LYS 40 -0.431 -11.063 1.810 321 HZ3 LYS 40 2HZ LYS 40 0.545 -12.357 1.559 322 H THR 41 H THR 41 2.181 -10.080 6.791 323 HA THR 41 HA THR 41 3.456 -7.470 7.173 324 HB THR 41 HB THR 41 4.440 -8.105 9.333 325 HG1 THR 41 1HG THR 41 2.441 -10.115 9.438 326 HG21 THR 41 3HG2 THR 41 2.684 -7.569 10.820 327 HG22 THR 41 1HG2 THR 41 2.486 -6.612 9.355 328 HG23 THR 41 2HG2 THR 41 1.430 -8.018 9.627 329 H ASN 42 H ASN 42 5.688 -7.534 7.398 330 HA ASN 42 HA ASN 42 7.126 -10.034 6.829 331 HB2 ASN 42 1HB ASN 42 6.978 -7.640 4.946 332 HB3 ASN 42 2HB ASN 42 8.381 -8.691 4.966 333 HD21 ASN 42 2HD2 ASN 42 5.077 -8.392 3.889 334 HD22 ASN 42 1HD2 ASN 42 5.052 -9.922 3.017 335 H THR 43 H THR 43 9.189 -10.043 7.696 336 HA THR 43 HA THR 43 9.937 -7.742 9.419 337 HB THR 43 HB THR 43 11.214 -10.497 9.290 338 HG1 THR 43 1HG THR 43 9.766 -11.107 10.812 339 HG21 THR 43 3HG2 THR 43 11.725 -9.983 11.690 340 HG22 THR 43 1HG2 THR 43 12.510 -8.853 10.586 341 HG23 THR 43 2HG2 THR 43 11.050 -8.354 11.469 342 H ASN 44 H ASN 44 11.856 -6.665 9.297 343 HA ASN 44 HA ASN 44 13.417 -6.842 6.771 344 HB2 ASN 44 1HB ASN 44 13.316 -4.715 8.951 345 HB3 ASN 44 2HB ASN 44 14.295 -4.626 7.494 346 HD21 ASN 44 2HD2 ASN 44 10.969 -4.627 8.698 347 HD22 ASN 44 1HD2 ASN 44 10.257 -3.886 7.247 348 H ARG 45 H ARG 45 15.719 -6.737 6.831 349 HA ARG 45 HA ARG 45 17.033 -8.514 8.631 350 HB2 ARG 45 1HB ARG 45 18.280 -6.392 6.835 351 HB3 ARG 45 2HB ARG 45 19.111 -7.779 7.555 352 HG2 ARG 45 1HG ARG 45 17.533 -9.302 6.314 353 HG3 ARG 45 2HG ARG 45 16.873 -7.881 5.489 354 HD2 ARG 45 1HD ARG 45 19.770 -8.828 5.367 355 HD3 ARG 45 2HD ARG 45 18.552 -9.091 4.129 356 HE ARG 45 HE ARG 45 18.480 -6.753 3.631 357 HH11 ARG 45 1HH1 ARG 45 21.195 -7.550 5.770 358 HH12 ARG 45 2HH1 ARG 45 22.032 -6.075 5.390 359 HH21 ARG 45 1HH2 ARG 45 19.619 -4.889 3.191 360 HH22 ARG 45 2HH2 ARG 45 21.156 -4.598 3.947 361 H ASN 46 H ASN 46 16.517 -5.083 8.845 362 HA ASN 46 HA ASN 46 18.463 -4.604 10.972 363 HB2 ASN 46 1HB ASN 46 16.244 -2.832 9.877 364 HB3 ASN 46 2HB ASN 46 17.580 -2.312 10.905 365 HD21 ASN 46 2HD2 ASN 46 19.839 -2.513 9.993 366 HD22 ASN 46 1HD2 ASN 46 20.014 -2.379 8.253 367 H GLY 47 H GLY 47 15.471 -6.125 11.124 368 HA2 GLY 47 1HA GLY 47 14.474 -6.942 13.063 369 HA3 GLY 47 2HA GLY 47 15.249 -5.672 14.037 370 H SER 48 H SER 48 13.833 -4.057 11.490 371 HA SER 48 HA SER 48 11.355 -3.385 12.963 372 HB2 SER 48 1HB SER 48 11.079 -1.700 11.221 373 HB3 SER 48 2HB SER 48 12.655 -1.590 11.997 374 HG SER 48 HG SER 48 13.211 -1.529 9.906 375 H LYS 49 H LYS 49 9.302 -3.274 11.580 376 HA LYS 49 HA LYS 49 9.065 -5.598 9.719 377 HB2 LYS 49 1HB LYS 49 8.416 -5.980 12.278 378 HB3 LYS 49 2HB LYS 49 6.955 -5.137 11.793 379 HG2 LYS 49 1HG LYS 49 6.613 -6.883 10.000 380 HG3 LYS 49 2HG LYS 49 8.029 -7.731 10.659 381 HD2 LYS 49 1HD LYS 49 6.792 -7.712 12.925 382 HD3 LYS 49 2HD LYS 49 5.389 -7.112 12.040 383 HE2 LYS 49 1HE LYS 49 5.027 -9.430 12.204 384 HE3 LYS 49 2HE LYS 49 5.576 -9.188 10.546 385 HZ1 LYS 49 3HZ LYS 49 6.683 -11.065 11.594 386 HZ2 LYS 49 1HZ LYS 49 7.797 -9.921 11.248 387 HZ3 LYS 49 2HZ LYS 49 7.280 -10.125 12.790 388 H ASP 50 H ASP 50 7.230 -5.612 8.426 389 HA ASP 50 HA ASP 50 6.264 -2.926 7.584 390 HB2 ASP 50 1HB ASP 50 6.452 -5.563 6.079 391 HB3 ASP 50 2HB ASP 50 5.978 -4.008 5.419 392 H TYR 51 H TYR 51 4.076 -2.564 7.377 393 HA TYR 51 HA TYR 51 2.153 -4.740 8.135 394 HB2 TYR 51 1HB TYR 51 2.368 -1.905 9.206 395 HB3 TYR 51 2HB TYR 51 1.107 -3.051 9.623 396 HD1 TYR 51 2HD TYR 51 4.684 -2.177 10.042 397 HD2 TYR 51 1HD TYR 51 1.488 -4.793 11.263 398 HE1 TYR 51 2HE TYR 51 5.999 -2.851 12.036 399 HE2 TYR 51 1HE TYR 51 2.795 -5.474 13.262 400 HH TYR 51 HH TYR 51 4.740 -5.185 14.462 401 H GLY 52 H GLY 52 0.032 -4.579 7.436 402 HA2 GLY 52 1HA GLY 52 -1.859 -3.713 6.405 403 HA3 GLY 52 2HA GLY 52 -1.024 -2.162 6.218 404 H LEU 53 H LEU 53 -2.491 -2.483 4.235 405 HA LEU 53 HA LEU 53 -1.827 -4.428 2.339 406 HB2 LEU 53 1HB LEU 53 -3.868 -2.554 2.673 407 HB3 LEU 53 2HB LEU 53 -2.975 -1.811 1.359 408 HG LEU 53 HG LEU 53 -3.088 -4.283 0.319 409 HD11 LEU 53 1HD1 LEU 53 -4.100 -5.255 2.335 410 HD12 LEU 53 2HD1 LEU 53 -5.506 -4.179 2.154 411 HD13 LEU 53 3HD1 LEU 53 -5.189 -5.401 0.935 412 HD21 LEU 53 3HD2 LEU 53 -5.177 -3.750 -0.779 413 HD22 LEU 53 1HD2 LEU 53 -5.488 -2.444 0.403 414 HD23 LEU 53 2HD2 LEU 53 -4.116 -2.317 -0.720 415 H PHE 54 H PHE 54 -0.185 -1.450 2.792 416 HA PHE 54 HA PHE 54 1.285 -1.778 0.210 417 HB2 PHE 54 1HB PHE 54 1.073 0.610 2.074 418 HB3 PHE 54 2HB PHE 54 1.970 0.566 0.569 419 HD1 PHE 54 2HD PHE 54 -1.446 0.423 2.024 420 HD2 PHE 54 1HD PHE 54 0.887 0.881 -1.567 421 HE1 PHE 54 2HE PHE 54 -3.481 1.077 0.804 422 HE2 PHE 54 1HE PHE 54 -1.154 1.591 -2.785 423 HZ PHE 54 HZ PHE 54 -3.349 1.670 -1.614 424 H GLN 55 H GLN 55 1.593 -3.032 3.156 425 HA GLN 55 HA GLN 55 3.236 -3.674 4.553 426 HB2 GLN 55 1HB GLN 55 4.692 -3.790 1.881 427 HB3 GLN 55 2HB GLN 55 5.342 -4.490 3.357 428 HG2 GLN 55 1HG GLN 55 2.726 -5.296 2.032 429 HG3 GLN 55 2HG GLN 55 4.254 -6.178 2.005 430 HE21 GLN 55 2HE2 GLN 55 1.366 -5.486 3.953 431 HE22 GLN 55 1HE2 GLN 55 1.848 -6.483 5.296 432 H ILE 56 H ILE 56 2.954 -1.365 5.289 433 HA ILE 56 HA ILE 56 5.121 0.517 4.707 434 HB ILE 56 HB ILE 56 2.817 0.834 6.684 435 HG12 ILE 56 1HG1 ILE 56 2.966 1.424 3.680 436 HG13 ILE 56 2HG1 ILE 56 1.863 0.265 4.454 437 HG21 ILE 56 1HG2 ILE 56 4.723 2.412 6.839 438 HG22 ILE 56 2HG2 ILE 56 4.441 2.894 5.151 439 HG23 ILE 56 3HG2 ILE 56 3.211 3.195 6.407 440 HD11 ILE 56 3HD1 ILE 56 0.530 2.104 3.896 441 HD12 ILE 56 1HD1 ILE 56 0.827 2.299 5.641 442 HD13 ILE 56 2HD1 ILE 56 1.746 3.259 4.448 443 H ASN 57 H ASN 57 6.863 0.914 5.954 444 HA ASN 57 HA ASN 57 7.377 -1.003 8.089 445 HB2 ASN 57 1HB ASN 57 8.866 -0.633 6.161 446 HB3 ASN 57 2HB ASN 57 9.165 1.016 6.732 447 HD21 ASN 57 2HD2 ASN 57 9.062 -1.887 8.894 448 HD22 ASN 57 1HD2 ASN 57 10.791 -1.829 9.209 449 H ASP 58 H ASP 58 7.592 -0.623 10.147 450 HA ASP 58 HA ASP 58 6.618 1.706 11.404 451 HB2 ASP 58 1HB ASP 58 7.015 0.676 13.447 452 HB3 ASP 58 2HB ASP 58 6.631 -0.625 12.329 453 H ARG 59 H ARG 59 9.657 1.346 10.130 454 HA ARG 59 HA ARG 59 11.247 2.911 12.003 455 HB2 ARG 59 1HB ARG 59 12.002 0.947 10.726 456 HB3 ARG 59 2HB ARG 59 11.684 1.815 9.218 457 HG2 ARG 59 1HG ARG 59 13.518 3.289 9.539 458 HG3 ARG 59 2HG ARG 59 13.735 2.787 11.224 459 HD2 ARG 59 1HD ARG 59 15.388 1.836 9.542 460 HD3 ARG 59 2HD ARG 59 14.591 0.667 10.616 461 HE ARG 59 HE ARG 59 12.972 0.647 8.392 462 HH11 ARG 59 1HH1 ARG 59 16.458 0.157 8.673 463 HH12 ARG 59 2HH1 ARG 59 16.458 -1.114 7.482 464 HH21 ARG 59 1HH2 ARG 59 13.016 -0.913 6.901 465 HH22 ARG 59 2HH2 ARG 59 14.521 -1.642 6.394 466 H TYR 60 H TYR 60 9.176 3.698 9.337 467 HA TYR 60 HA TYR 60 10.464 6.401 9.001 468 HB2 TYR 60 1HB TYR 60 9.458 4.521 6.840 469 HB3 TYR 60 2HB TYR 60 10.083 6.135 6.574 470 HD1 TYR 60 2HD TYR 60 12.563 6.509 7.689 471 HD2 TYR 60 1HD TYR 60 10.904 2.740 6.400 472 HE1 TYR 60 2HE TYR 60 14.858 5.591 7.405 473 HE2 TYR 60 1HE TYR 60 13.189 1.839 6.077 474 HH TYR 60 HH TYR 60 15.451 2.254 6.223 475 H TRP 61 H TRP 61 7.437 4.591 8.241 476 HA TRP 61 HA TRP 61 6.075 7.228 7.865 477 HB2 TRP 61 1HB TRP 61 5.326 4.498 6.852 478 HB3 TRP 61 2HB TRP 61 4.660 6.009 6.308 479 HD1 TRP 61 HD TRP 61 7.029 3.473 5.339 480 HE1 TRP 61 1HE TRP 61 8.649 4.254 3.511 481 HE3 TRP 61 3HE TRP 61 6.174 8.517 5.603 482 HZ2 TRP 61 2HZ TRP 61 9.424 6.743 2.272 483 HZ3 TRP 61 3HZ TRP 61 7.311 10.060 4.042 484 HH2 TRP 61 HH TRP 61 8.943 9.193 2.375 485 H CYS 62 H CYS 62 5.304 3.942 9.145 486 HA CYS 62 HA CYS 62 3.217 5.121 10.905 487 HB2 CYS 62 1HB CYS 62 2.611 2.679 11.224 488 HB3 CYS 62 2HB CYS 62 2.325 3.375 9.649 489 H SER 63 H SER 63 3.025 4.211 13.105 490 HA SER 63 HA SER 63 5.669 3.843 14.475 491 HB2 SER 63 1HB SER 63 4.309 5.853 15.073 492 HB3 SER 63 2HB SER 63 3.004 4.780 15.595 493 HG SER 63 HG SER 63 4.193 5.243 17.397 494 H LYS 64 H LYS 64 6.070 1.972 15.530 495 HA LYS 64 HA LYS 64 4.069 -0.182 15.588 496 HB2 LYS 64 1HB LYS 64 5.932 -1.518 16.549 497 HB3 LYS 64 2HB LYS 64 6.284 -0.832 14.977 498 HG2 LYS 64 1HG LYS 64 7.759 0.811 15.876 499 HG3 LYS 64 2HG LYS 64 7.142 0.611 17.524 500 HD2 LYS 64 1HD LYS 64 8.130 -1.542 17.765 501 HD3 LYS 64 2HD LYS 64 8.592 -1.607 16.040 502 HE2 LYS 64 1HE LYS 64 10.041 0.376 16.360 503 HE3 LYS 64 2HE LYS 64 9.604 0.431 18.075 504 HZ1 LYS 64 3HZ LYS 64 11.722 -0.704 17.737 505 HZ2 LYS 64 1HZ LYS 64 10.633 -1.768 18.329 506 HZ3 LYS 64 2HZ LYS 64 11.038 -1.805 16.743 507 H GLY 65 H GLY 65 4.869 2.285 17.789 508 HA2 GLY 65 1HA GLY 65 4.569 0.751 20.272 509 HA3 GLY 65 2HA GLY 65 4.754 2.502 20.105 510 H ALA 66 H ALA 66 3.099 2.352 21.889 511 HA ALA 66 HA ALA 66 0.402 1.463 21.271 512 HB1 ALA 66 1HB ALA 66 1.462 1.263 23.509 513 HB2 ALA 66 2HB ALA 66 1.514 3.038 23.641 514 HB3 ALA 66 3HB ALA 66 -0.045 2.191 23.580 515 H SER 67 H SER 67 1.767 4.057 19.937 516 HA SER 67 HA SER 67 -0.721 5.605 19.727 517 HB2 SER 67 1HB SER 67 0.399 6.415 21.811 518 HB3 SER 67 2HB SER 67 1.819 6.852 20.846 519 HG SER 67 HG SER 67 0.377 8.633 21.193 520 HA PRO 68 HA PRO 68 1.178 6.240 15.656 521 HB2 PRO 68 1HB PRO 68 -0.293 8.376 14.746 522 HB3 PRO 68 2HB PRO 68 -0.952 6.713 14.854 523 HG2 PRO 68 1HG PRO 68 -1.268 8.964 16.855 524 HG3 PRO 68 2HG PRO 68 -2.540 7.906 16.161 525 HD2 PRO 68 1HD PRO 68 -1.450 7.388 18.574 526 HD3 PRO 68 2HD PRO 68 -1.828 6.053 17.448 527 H GLY 69 H GLY 69 2.769 7.693 14.721 528 HA2 GLY 69 1HA GLY 69 3.453 10.257 15.644 529 HA3 GLY 69 2HA GLY 69 4.172 9.153 16.802 530 H LYS 70 H LYS 70 3.876 8.972 13.246 531 HA LYS 70 HA LYS 70 6.729 9.608 12.883 532 HB2 LYS 70 1HB LYS 70 5.486 6.997 11.940 533 HB3 LYS 70 2HB LYS 70 6.844 7.727 11.096 534 HG2 LYS 70 1HG LYS 70 7.761 7.849 13.685 535 HG3 LYS 70 2HG LYS 70 6.770 6.384 13.727 536 HD2 LYS 70 1HD LYS 70 8.126 5.404 11.920 537 HD3 LYS 70 2HD LYS 70 8.924 6.951 11.636 538 HE2 LYS 70 1HE LYS 70 10.463 5.574 12.842 539 HE3 LYS 70 2HE LYS 70 9.944 6.899 13.884 540 HZ1 LYS 70 3HZ LYS 70 9.959 4.762 15.046 541 HZ2 LYS 70 1HZ LYS 70 8.432 5.345 14.991 542 HZ3 LYS 70 2HZ LYS 70 8.890 4.128 13.978 543 H ASP 71 H ASP 71 6.881 9.390 10.141 544 HA ASP 71 HA ASP 71 5.991 11.963 9.548 545 HB2 ASP 71 1HB ASP 71 7.879 10.681 8.493 546 HB3 ASP 71 2HB ASP 71 6.689 9.836 7.501 547 H CYS 72 H CYS 72 4.156 9.000 8.998 548 HA CYS 72 HA CYS 72 2.042 10.550 7.550 549 HB2 CYS 72 1HB CYS 72 2.488 7.576 7.793 550 HB3 CYS 72 2HB CYS 72 1.163 8.354 6.931 551 H ASN 73 H ASN 73 2.686 10.051 10.691 552 HA ASN 73 HA ASN 73 1.484 10.198 12.584 553 HB2 ASN 73 1HB ASN 73 -0.581 11.518 10.764 554 HB3 ASN 73 2HB ASN 73 -0.357 11.799 12.489 555 HD21 ASN 73 2HD2 ASN 73 1.687 12.888 13.193 556 HD22 ASN 73 1HD2 ASN 73 2.503 13.932 12.045 557 H VAL 74 H VAL 74 1.275 7.680 11.686 558 HA VAL 74 HA VAL 74 -1.421 6.750 12.481 559 HB VAL 74 HB VAL 74 -1.451 7.112 10.035 560 HG11 VAL 74 1HG1 VAL 74 0.945 6.654 9.531 561 HG12 VAL 74 2HG1 VAL 74 0.667 4.930 9.856 562 HG13 VAL 74 3HG1 VAL 74 -0.159 5.723 8.505 563 HG21 VAL 74 3HG2 VAL 74 -2.422 5.004 9.407 564 HG22 VAL 74 1HG2 VAL 74 -1.597 4.162 10.731 565 HG23 VAL 74 2HG2 VAL 74 -2.858 5.364 11.086 566 H LYS 75 H LYS 75 -1.503 4.638 13.232 567 HA LYS 75 HA LYS 75 1.067 3.592 14.285 568 HB2 LYS 75 1HB LYS 75 -0.985 4.317 15.640 569 HB3 LYS 75 2HB LYS 75 -1.768 2.848 15.032 570 HG2 LYS 75 1HG LYS 75 -0.018 1.482 16.134 571 HG3 LYS 75 2HG LYS 75 0.800 2.969 16.648 572 HD2 LYS 75 1HD LYS 75 -0.449 2.074 18.499 573 HD3 LYS 75 2HD LYS 75 -1.162 3.602 18.032 574 HE2 LYS 75 1HE LYS 75 -2.304 1.007 16.945 575 HE3 LYS 75 2HE LYS 75 -2.575 1.419 18.636 576 HZ1 LYS 75 3HZ LYS 75 -4.382 2.216 17.271 577 HZ2 LYS 75 1HZ LYS 75 -3.615 3.497 17.929 578 HZ3 LYS 75 2HZ LYS 75 -3.418 3.118 16.338 579 H CYS 76 H CYS 76 1.880 1.614 13.678 580 HA CYS 76 HA CYS 76 1.262 0.244 11.337 581 HB2 CYS 76 1HB CYS 76 2.424 -0.900 13.911 582 HB3 CYS 76 2HB CYS 76 2.575 -1.605 12.308 583 H SER 77 H SER 77 -0.105 -0.447 14.573 584 HA SER 77 HA SER 77 -1.515 -2.838 13.793 585 HB2 SER 77 1HB SER 77 -0.848 -2.160 16.129 586 HB3 SER 77 2HB SER 77 -2.132 -0.945 16.084 587 HG SER 77 HG SER 77 -2.358 -3.787 16.062 588 H ASP 78 H ASP 78 -2.427 0.613 13.488 589 HA ASP 78 HA ASP 78 -5.256 0.045 13.004 590 HB2 ASP 78 1HB ASP 78 -3.576 2.504 12.382 591 HB3 ASP 78 2HB ASP 78 -5.317 2.383 12.179 592 H LEU 79 H LEU 79 -2.359 -0.199 11.126 593 HA LEU 79 HA LEU 79 -3.632 0.006 8.506 594 HB2 LEU 79 1HB LEU 79 -0.995 -1.356 9.133 595 HB3 LEU 79 2HB LEU 79 -1.539 -0.652 7.619 596 HG LEU 79 HG LEU 79 -0.706 0.873 10.112 597 HD11 LEU 79 1HD1 LEU 79 1.153 -0.065 8.840 598 HD12 LEU 79 2HD1 LEU 79 0.495 0.587 7.327 599 HD13 LEU 79 3HD1 LEU 79 1.094 1.685 8.587 600 HD21 LEU 79 3HD2 LEU 79 -0.961 2.912 8.685 601 HD22 LEU 79 1HD2 LEU 79 -1.750 1.906 7.457 602 HD23 LEU 79 2HD2 LEU 79 -2.510 2.134 9.048 603 H LEU 80 H LEU 80 -3.592 -2.407 10.917 604 HA LEU 80 HA LEU 80 -3.976 -4.667 9.051 605 HB2 LEU 80 1HB LEU 80 -3.865 -4.674 12.079 606 HB3 LEU 80 2HB LEU 80 -3.781 -6.071 11.014 607 HG LEU 80 HG LEU 80 -1.686 -3.886 11.267 608 HD11 LEU 80 1HD1 LEU 80 -1.842 -5.408 13.213 609 HD12 LEU 80 2HD1 LEU 80 -1.664 -6.809 12.133 610 HD13 LEU 80 3HD1 LEU 80 -0.331 -5.654 12.326 611 HD21 LEU 80 3HD2 LEU 80 -0.247 -5.375 9.868 612 HD22 LEU 80 1HD2 LEU 80 -1.657 -6.401 9.552 613 HD23 LEU 80 2HD2 LEU 80 -1.622 -4.711 8.987 614 H THR 81 H THR 81 -6.006 -2.365 9.893 615 HA THR 81 HA THR 81 -8.280 -3.831 10.998 616 HB THR 81 HB THR 81 -9.498 -1.693 10.660 617 HG1 THR 81 1HG THR 81 -7.088 -0.437 10.018 618 HG21 THR 81 3HG2 THR 81 -8.201 -0.358 12.287 619 HG22 THR 81 1HG2 THR 81 -8.354 -2.057 12.767 620 HG23 THR 81 2HG2 THR 81 -6.823 -1.466 12.098 621 H ASP 82 H ASP 82 -10.470 -3.299 9.811 622 HA ASP 82 HA ASP 82 -10.327 -4.928 7.363 623 HB2 ASP 82 1HB ASP 82 -12.735 -4.013 8.974 624 HB3 ASP 82 2HB ASP 82 -12.716 -5.260 7.729 625 H ASP 83 H ASP 83 -9.927 -1.815 7.625 626 HA ASP 83 HA ASP 83 -11.041 -1.298 4.932 627 HB2 ASP 83 1HB ASP 83 -12.495 -0.106 6.588 628 HB3 ASP 83 2HB ASP 83 -11.083 0.800 7.134 629 H ILE 84 H ILE 84 -9.472 -0.762 3.623 630 HA ILE 84 HA ILE 84 -6.735 -0.805 4.473 631 HB ILE 84 HB ILE 84 -6.195 -0.726 2.162 632 HG12 ILE 84 1HG1 ILE 84 -9.014 0.290 1.576 633 HG13 ILE 84 2HG1 ILE 84 -7.555 1.276 1.597 634 HG21 ILE 84 1HG2 ILE 84 -7.505 -2.768 2.973 635 HG22 ILE 84 2HG2 ILE 84 -8.937 -2.076 2.216 636 HG23 ILE 84 3HG2 ILE 84 -7.548 -2.524 1.228 637 HD11 ILE 84 3HD1 ILE 84 -8.136 0.786 -0.662 638 HD12 ILE 84 1HD1 ILE 84 -6.585 0.008 -0.240 639 HD13 ILE 84 2HD1 ILE 84 -8.082 -0.961 -0.363 640 H THR 85 H THR 85 -8.900 1.810 4.396 641 HA THR 85 HA THR 85 -7.536 3.935 3.282 642 HB THR 85 HB THR 85 -9.861 3.924 3.930 643 HG1 THR 85 1HG THR 85 -9.885 6.086 4.547 644 HG21 THR 85 3HG2 THR 85 -10.619 4.434 6.148 645 HG22 THR 85 1HG2 THR 85 -9.593 2.998 6.265 646 HG23 THR 85 2HG2 THR 85 -8.956 4.583 6.759 647 H LYS 86 H LYS 86 -7.011 2.765 6.608 648 HA LYS 86 HA LYS 86 -5.349 4.952 7.438 649 HB2 LYS 86 1HB LYS 86 -5.250 2.029 8.305 650 HB3 LYS 86 2HB LYS 86 -4.557 3.383 9.184 651 HG2 LYS 86 1HG LYS 86 -7.516 2.862 8.686 652 HG3 LYS 86 2HG LYS 86 -6.658 2.631 10.195 653 HD2 LYS 86 1HD LYS 86 -7.169 5.312 8.834 654 HD3 LYS 86 2HD LYS 86 -8.023 4.655 10.232 655 HE2 LYS 86 1HE LYS 86 -5.872 4.615 11.517 656 HE3 LYS 86 2HE LYS 86 -5.054 5.366 10.139 657 HZ1 LYS 86 3HZ LYS 86 -5.728 7.019 11.784 658 HZ2 LYS 86 1HZ LYS 86 -6.543 7.283 10.392 659 HZ3 LYS 86 2HZ LYS 86 -7.295 6.583 11.664 660 H ALA 87 H ALA 87 -4.628 2.119 5.483 661 HA ALA 87 HA ALA 87 -1.719 2.724 5.392 662 HB1 ALA 87 1HB ALA 87 -2.664 0.347 5.566 663 HB2 ALA 87 2HB ALA 87 -3.302 0.563 3.916 664 HB3 ALA 87 3HB ALA 87 -1.550 0.630 4.223 665 H ALA 88 H ALA 88 -4.609 2.792 3.294 666 HA ALA 88 HA ALA 88 -3.243 3.490 0.918 667 HB1 ALA 88 1HB ALA 88 -5.570 2.490 1.239 668 HB2 ALA 88 2HB ALA 88 -6.139 4.144 1.594 669 HB3 ALA 88 3HB ALA 88 -5.425 3.743 0.019 670 H LYS 89 H LYS 89 -4.770 5.693 3.336 671 HA LYS 89 HA LYS 89 -4.088 8.099 1.853 672 HB2 LYS 89 1HB LYS 89 -4.794 7.552 4.756 673 HB3 LYS 89 2HB LYS 89 -4.512 9.176 4.104 674 HG2 LYS 89 1HG LYS 89 -6.326 8.890 2.471 675 HG3 LYS 89 2HG LYS 89 -6.643 7.249 3.062 676 HD2 LYS 89 1HD LYS 89 -7.220 8.109 5.279 677 HD3 LYS 89 2HD LYS 89 -6.864 9.768 4.781 678 HE2 LYS 89 1HE LYS 89 -8.981 7.989 3.483 679 HE3 LYS 89 2HE LYS 89 -9.321 9.111 4.805 680 HZ1 LYS 89 3HZ LYS 89 -9.817 10.127 2.681 681 HZ2 LYS 89 1HZ LYS 89 -8.578 10.932 3.374 682 HZ3 LYS 89 2HZ LYS 89 -8.296 9.900 2.134 683 H CYS 90 H CYS 90 -2.346 6.161 4.242 684 HA CYS 90 HA CYS 90 -0.067 7.957 4.540 685 HB2 CYS 90 1HB CYS 90 -0.557 6.328 6.218 686 HB3 CYS 90 2HB CYS 90 -0.541 5.000 5.056 687 H ALA 91 H ALA 91 -0.802 5.213 2.345 688 HA ALA 91 HA ALA 91 1.611 5.224 0.889 689 HB1 ALA 91 1HB ALA 91 -0.115 3.451 0.844 690 HB2 ALA 91 2HB ALA 91 -1.196 4.527 -0.055 691 HB3 ALA 91 3HB ALA 91 0.325 3.994 -0.790 692 H LYS 92 H LYS 92 -1.347 7.305 0.288 693 HA LYS 92 HA LYS 92 -0.238 8.578 -2.001 694 HB2 LYS 92 1HB LYS 92 -1.940 9.980 0.082 695 HB3 LYS 92 2HB LYS 92 -1.756 10.390 -1.617 696 HG2 LYS 92 1HG LYS 92 -3.289 8.129 -0.362 697 HG3 LYS 92 2HG LYS 92 -3.890 9.429 -1.338 698 HD2 LYS 92 1HD LYS 92 -2.384 6.956 -2.219 699 HD3 LYS 92 2HD LYS 92 -4.032 7.410 -2.589 700 HE2 LYS 92 1HE LYS 92 -1.524 8.769 -3.683 701 HE3 LYS 92 2HE LYS 92 -2.558 7.631 -4.540 702 HZ1 LYS 92 3HZ LYS 92 -3.152 9.794 -5.206 703 HZ2 LYS 92 1HZ LYS 92 -4.393 9.271 -4.289 704 HZ3 LYS 92 2HZ LYS 92 -3.327 10.353 -3.669 705 H LYS 93 H LYS 93 0.203 9.401 1.464 706 HA LYS 93 HA LYS 93 1.852 11.705 0.950 707 HB2 LYS 93 1HB LYS 93 0.530 11.095 3.074 708 HB3 LYS 93 2HB LYS 93 1.897 10.051 3.496 709 HG2 LYS 93 1HG LYS 93 3.414 12.061 3.348 710 HG3 LYS 93 2HG LYS 93 2.009 13.054 2.924 711 HD2 LYS 93 1HD LYS 93 0.987 12.401 5.152 712 HD3 LYS 93 2HD LYS 93 2.530 11.598 5.543 713 HE2 LYS 93 1HE LYS 93 3.734 13.738 5.222 714 HE3 LYS 93 2HE LYS 93 2.217 14.544 4.799 715 HZ1 LYS 93 3HZ LYS 93 2.782 14.933 7.110 716 HZ2 LYS 93 1HZ LYS 93 1.420 14.028 7.063 717 HZ3 LYS 93 2HZ LYS 93 2.863 13.333 7.429 718 H ILE 94 H ILE 94 2.639 8.290 1.025 719 HA ILE 94 HA ILE 94 5.552 8.746 0.895 720 HB ILE 94 HB ILE 94 3.882 6.289 0.226 721 HG12 ILE 94 1HG1 ILE 94 5.667 6.823 2.627 722 HG13 ILE 94 2HG1 ILE 94 3.938 7.077 2.676 723 HG21 ILE 94 1HG2 ILE 94 5.978 6.275 -1.036 724 HG22 ILE 94 2HG2 ILE 94 6.893 6.749 0.405 725 HG23 ILE 94 3HG2 ILE 94 6.135 5.137 0.298 726 HD11 ILE 94 3HD1 ILE 94 4.380 4.945 3.657 727 HD12 ILE 94 1HD1 ILE 94 3.568 4.666 2.109 728 HD13 ILE 94 2HD1 ILE 94 5.323 4.406 2.261 729 H TYR 95 H TYR 95 2.994 7.998 -1.533 730 HA TYR 95 HA TYR 95 4.633 8.050 -3.804 731 HB2 TYR 95 1HB TYR 95 2.651 7.167 -4.274 732 HB3 TYR 95 2HB TYR 95 1.742 8.230 -3.211 733 HD1 TYR 95 2HD TYR 95 1.269 10.648 -3.983 734 HD2 TYR 95 1HD TYR 95 2.469 7.448 -6.612 735 HE1 TYR 95 2HE TYR 95 0.373 11.910 -5.930 736 HE2 TYR 95 1HE TYR 95 1.604 8.716 -8.559 737 HH TYR 95 HH TYR 95 0.585 10.651 -9.287 738 H LYS 96 H LYS 96 3.356 10.790 -2.045 739 HA LYS 96 HA LYS 96 4.006 12.946 -3.775 740 HB2 LYS 96 1HB LYS 96 3.935 12.481 -0.783 741 HB3 LYS 96 2HB LYS 96 4.415 14.051 -1.389 742 HG2 LYS 96 1HG LYS 96 1.751 12.712 -2.038 743 HG3 LYS 96 2HG LYS 96 1.992 13.886 -0.751 744 HD2 LYS 96 1HD LYS 96 2.330 14.414 -3.738 745 HD3 LYS 96 2HD LYS 96 0.964 14.889 -2.729 746 HE2 LYS 96 1HE LYS 96 2.494 16.285 -1.325 747 HE3 LYS 96 2HE LYS 96 3.839 15.865 -2.394 748 HZ1 LYS 96 3HZ LYS 96 2.861 17.992 -3.003 749 HZ2 LYS 96 1HZ LYS 96 2.633 16.928 -4.221 750 HZ3 LYS 96 2HZ LYS 96 1.391 17.319 -3.229 751 H ARG 97 H ARG 97 6.209 10.851 -2.051 752 HA ARG 97 HA ARG 97 8.551 12.582 -2.784 753 HB2 ARG 97 1HB ARG 97 8.322 10.422 -0.647 754 HB3 ARG 97 2HB ARG 97 9.761 11.366 -1.008 755 HG2 ARG 97 1HG ARG 97 7.137 12.418 0.136 756 HG3 ARG 97 2HG ARG 97 8.644 12.184 1.005 757 HD2 ARG 97 1HD ARG 97 8.158 14.196 -1.234 758 HD3 ARG 97 2HD ARG 97 8.263 14.563 0.478 759 HE ARG 97 HE ARG 97 10.457 14.082 -1.377 760 HH11 ARG 97 1HH1 ARG 97 9.662 14.070 2.074 761 HH12 ARG 97 2HH1 ARG 97 11.322 14.284 2.545 762 HH21 ARG 97 1HH2 ARG 97 12.569 14.341 -0.698 763 HH22 ARG 97 2HH2 ARG 97 12.940 14.431 0.996 764 H HIS 98 H HIS 98 7.266 9.276 -2.779 765 HA HIS 98 HA HIS 98 9.088 8.468 -5.004 766 HB2 HIS 98 1HB HIS 98 8.664 6.992 -2.373 767 HB3 HIS 98 2HB HIS 98 9.541 6.360 -3.764 768 HD2 HIS 98 2HD HIS 98 10.029 8.330 -0.633 769 HE1 HIS 98 1HE HIS 98 13.606 8.934 -2.862 770 HE2 HIS 98 2HE HIS 98 12.501 9.233 -0.585 771 H ARG 99 H ARG 99 7.232 8.600 -6.382 772 HA ARG 99 HA ARG 99 4.686 7.805 -5.937 773 HB2 ARG 99 1HB ARG 99 4.277 7.725 -8.228 774 HB3 ARG 99 2HB ARG 99 5.227 9.121 -7.719 775 HG2 ARG 99 1HG ARG 99 7.290 8.030 -8.639 776 HG3 ARG 99 2HG ARG 99 6.284 6.650 -9.180 777 HD2 ARG 99 1HD ARG 99 4.819 8.212 -10.378 778 HD3 ARG 99 2HD ARG 99 5.850 9.563 -9.883 779 HE ARG 99 HE ARG 99 7.545 7.717 -11.169 780 HH11 ARG 99 1HH1 ARG 99 4.798 9.707 -12.179 781 HH12 ARG 99 2HH1 ARG 99 5.337 9.773 -13.830 782 HH21 ARG 99 1HH2 ARG 99 8.183 7.846 -13.314 783 HH22 ARG 99 2HH2 ARG 99 7.229 8.738 -14.459 784 H PHE 100 H PHE 100 7.186 5.619 -7.192 785 HA PHE 100 HA PHE 100 5.621 3.287 -6.211 786 HB2 PHE 100 1HB PHE 100 7.007 3.371 -8.908 787 HB3 PHE 100 2HB PHE 100 6.154 2.012 -8.187 788 HD1 PHE 100 1HD PHE 100 3.604 2.711 -7.390 789 HD2 PHE 100 2HD PHE 100 5.842 4.418 -10.658 790 HE1 PHE 100 1HE PHE 100 1.489 3.376 -8.485 791 HE2 PHE 100 2HE PHE 100 3.721 5.095 -11.747 792 HZ PHE 100 HZ PHE 100 1.547 4.560 -10.667 793 H ASP 101 H ASP 101 8.684 4.890 -6.509 794 HA ASP 101 HA ASP 101 10.411 2.638 -6.420 795 HB2 ASP 101 1HB ASP 101 11.012 4.888 -7.236 796 HB3 ASP 101 2HB ASP 101 10.896 5.523 -5.595 797 H ALA 102 H ALA 102 8.535 3.968 -3.856 798 HA ALA 102 HA ALA 102 10.204 2.993 -1.665 799 HB1 ALA 102 1HB ALA 102 8.650 4.856 -1.335 800 HB2 ALA 102 2HB ALA 102 7.273 3.824 -1.782 801 HB3 ALA 102 3HB ALA 102 8.194 3.491 -0.304 802 H TRP 103 H TRP 103 8.309 1.377 -3.992 803 HA TRP 103 HA TRP 103 8.042 -1.058 -2.260 804 HB2 TRP 103 1HB TRP 103 6.131 0.028 -4.343 805 HB3 TRP 103 2HB TRP 103 5.945 -1.483 -3.468 806 HD1 TRP 103 HD TRP 103 5.499 -1.290 -0.791 807 HE1 TRP 103 1HE TRP 103 4.157 0.413 0.524 808 HE3 TRP 103 3HE TRP 103 5.717 2.584 -4.105 809 HZ2 TRP 103 2HZ TRP 103 3.105 3.112 0.101 810 HZ3 TRP 103 3HZ TRP 103 4.545 4.706 -3.643 811 HH2 TRP 103 HH TRP 103 3.169 4.961 -1.582 812 H TYR 104 H TYR 104 9.430 -2.489 -2.904 813 HA TYR 104 HA TYR 104 10.546 -2.963 -5.480 814 HB2 TYR 104 1HB TYR 104 10.022 -5.242 -3.609 815 HB3 TYR 104 2HB TYR 104 11.457 -4.869 -4.538 816 HD1 TYR 104 1HD TYR 104 12.992 -3.005 -3.715 817 HD2 TYR 104 2HD TYR 104 9.592 -4.409 -1.484 818 HE1 TYR 104 1HE TYR 104 13.936 -1.950 -1.637 819 HE2 TYR 104 2HE TYR 104 10.520 -3.361 0.611 820 HH TYR 104 HH TYR 104 12.245 -2.141 1.526 821 H GLY 105 H GLY 105 7.549 -4.003 -3.970 822 HA2 GLY 105 1HA GLY 105 6.720 -6.062 -5.636 823 HA3 GLY 105 2HA GLY 105 5.657 -4.938 -4.767 824 H TRP 106 H TRP 106 6.927 -2.647 -6.406 825 HA TRP 106 HA TRP 106 5.510 -3.045 -8.993 826 HB2 TRP 106 1HB TRP 106 4.951 -1.044 -7.753 827 HB3 TRP 106 2HB TRP 106 6.634 -0.545 -7.702 828 HD1 TRP 106 HD TRP 106 3.676 -0.893 -10.108 829 HE1 TRP 106 1HE TRP 106 4.156 0.392 -12.286 830 HE3 TRP 106 3HE TRP 106 8.457 0.588 -9.118 831 HZ2 TRP 106 2HZ TRP 106 6.350 1.906 -13.431 832 HZ3 TRP 106 3HZ TRP 106 9.743 1.915 -10.757 833 HH2 TRP 106 HH TRP 106 8.698 2.591 -12.923 834 H LYS 107 H LYS 107 8.699 -1.659 -7.926 835 HA LYS 107 HA LYS 107 9.678 -1.679 -10.580 836 HB2 LYS 107 1HB LYS 107 11.943 -1.219 -9.504 837 HB3 LYS 107 2HB LYS 107 10.639 -0.077 -9.216 838 HG2 LYS 107 1HG LYS 107 10.294 -0.936 -6.986 839 HG3 LYS 107 2HG LYS 107 11.514 -2.215 -7.259 840 HD2 LYS 107 1HD LYS 107 13.262 -0.521 -7.519 841 HD3 LYS 107 2HD LYS 107 12.057 0.780 -7.406 842 HE2 LYS 107 1HE LYS 107 11.493 0.069 -5.101 843 HE3 LYS 107 2HE LYS 107 12.710 -1.217 -5.189 844 HZ1 LYS 107 3HZ LYS 107 13.501 0.859 -4.104 845 HZ2 LYS 107 1HZ LYS 107 14.414 0.472 -5.415 846 HZ3 LYS 107 2HZ LYS 107 13.303 1.673 -5.509 847 H ASN 108 H ASN 108 9.761 -4.413 -8.430 848 HA ASN 108 HA ASN 108 11.755 -5.772 -10.173 849 HB2 ASN 108 1HB ASN 108 10.540 -6.555 -7.503 850 HB3 ASN 108 2HB ASN 108 11.637 -7.561 -8.430 851 HD21 ASN 108 2HD2 ASN 108 13.849 -7.250 -8.210 852 HD22 ASN 108 1HD2 ASN 108 14.542 -5.899 -7.331 853 H HIS 109 H HIS 109 8.408 -5.415 -10.245 854 HA HIS 109 HA HIS 109 8.025 -8.092 -11.573 855 HB2 HIS 109 1HB HIS 109 6.163 -6.731 -9.596 856 HB3 HIS 109 2HB HIS 109 5.863 -8.246 -10.442 857 HD2 HIS 109 2HD HIS 109 7.803 -6.798 -7.496 858 HE1 HIS 109 1HE HIS 109 8.443 -11.003 -7.393 859 HE2 HIS 109 2HE HIS 109 8.771 -8.823 -6.117 860 H CYS 110 H CYS 110 7.041 -4.689 -11.530 861 HA CYS 110 HA CYS 110 5.007 -5.059 -13.618 862 HB2 CYS 110 1HB CYS 110 6.052 -2.609 -12.150 863 HB3 CYS 110 2HB CYS 110 4.689 -2.619 -13.254 864 H GLN 111 H GLN 111 8.222 -5.095 -13.990 865 HA GLN 111 HA GLN 111 8.664 -3.089 -16.044 866 HB2 GLN 111 1HB GLN 111 10.250 -5.606 -15.370 867 HB3 GLN 111 2HB GLN 111 10.820 -4.264 -16.352 868 HG2 GLN 111 1HG GLN 111 10.144 -4.103 -13.377 869 HG3 GLN 111 2HG GLN 111 11.749 -4.278 -14.055 870 HE21 GLN 111 2HE2 GLN 111 11.595 -2.245 -12.415 871 HE22 GLN 111 1HE2 GLN 111 11.479 -0.707 -13.280 872 H GLY 112 H GLY 112 7.456 -6.403 -16.125 873 HA2 GLY 112 1HA GLY 112 7.874 -6.730 -19.028 874 HA3 GLY 112 2HA GLY 112 7.082 -7.864 -17.909 875 H SER 113 H SER 113 5.023 -6.566 -16.846 876 HA SER 113 HA SER 113 3.409 -4.982 -18.612 877 HB2 SER 113 1HB SER 113 3.384 -7.270 -19.776 878 HB3 SER 113 2HB SER 113 2.498 -7.869 -18.367 879 HG SER 113 HG SER 113 1.125 -7.142 -20.107 880 H LEU 114 H LEU 114 1.075 -4.943 -17.782 881 HA LEU 114 HA LEU 114 0.925 -5.271 -14.818 882 HB2 LEU 114 1HB LEU 114 -0.053 -3.054 -16.666 883 HB3 LEU 114 2HB LEU 114 -0.593 -3.210 -15.006 884 HG LEU 114 HG LEU 114 2.341 -2.872 -15.756 885 HD11 LEU 114 1HD1 LEU 114 1.014 -0.941 -16.502 886 HD12 LEU 114 2HD1 LEU 114 0.297 -0.794 -14.879 887 HD13 LEU 114 3HD1 LEU 114 2.038 -0.513 -15.117 888 HD21 LEU 114 3HD2 LEU 114 2.475 -2.125 -13.340 889 HD22 LEU 114 1HD2 LEU 114 0.802 -2.662 -13.121 890 HD23 LEU 114 2HD2 LEU 114 2.069 -3.839 -13.528 891 HA PRO 115 HA PRO 115 -2.921 -7.452 -15.519 892 HB2 PRO 115 1HB PRO 115 -4.345 -6.869 -13.262 893 HB3 PRO 115 2HB PRO 115 -2.897 -7.929 -13.247 894 HG2 PRO 115 1HG PRO 115 -3.050 -4.967 -12.591 895 HG3 PRO 115 2HG PRO 115 -2.279 -6.273 -11.631 896 HD2 PRO 115 1HD PRO 115 -0.843 -4.708 -13.324 897 HD3 PRO 115 2HD PRO 115 -0.481 -6.453 -13.163 898 H ASP 116 H ASP 116 -5.139 -7.107 -16.033 899 HA ASP 116 HA ASP 116 -5.781 -4.431 -17.037 900 HB2 ASP 116 1HB ASP 116 -6.167 -6.435 -18.402 901 HB3 ASP 116 2HB ASP 116 -7.270 -7.074 -17.178 902 H ILE 117 H ILE 117 -7.646 -3.331 -16.621 903 HA ILE 117 HA ILE 117 -9.158 -3.800 -14.086 904 HB ILE 117 HB ILE 117 -8.997 -1.404 -13.545 905 HG12 ILE 117 1HG1 ILE 117 -6.908 -1.224 -15.771 906 HG13 ILE 117 2HG1 ILE 117 -8.559 -0.622 -15.902 907 HG21 ILE 117 1HG2 ILE 117 -7.453 -3.067 -12.514 908 HG22 ILE 117 2HG2 ILE 117 -6.231 -2.670 -13.730 909 HG23 ILE 117 3HG2 ILE 117 -6.776 -1.438 -12.574 910 HD11 ILE 117 3HD1 ILE 117 -7.099 1.203 -15.402 911 HD12 ILE 117 1HD1 ILE 117 -8.156 0.912 -14.001 912 HD13 ILE 117 2HD1 ILE 117 -6.456 0.366 -13.978 913 H SER 118 H SER 118 -9.377 -3.229 -17.434 914 HA SER 118 HA SER 118 -11.528 -1.344 -17.481 915 HB2 SER 118 1HB SER 118 -10.659 -3.416 -19.521 916 HB3 SER 118 2HB SER 118 -11.817 -2.110 -19.826 917 HG SER 118 HG SER 118 -9.637 -1.573 -20.454 918 H SER 119 H SER 119 -11.676 -4.577 -16.435 919 HA SER 119 HA SER 119 -14.554 -4.967 -16.980 920 HB2 SER 119 1HB SER 119 -14.137 -7.033 -15.618 921 HB3 SER 119 2HB SER 119 -13.155 -6.904 -17.087 922 HG SER 119 HG SER 119 -11.913 -7.564 -15.250 923 H CYS 120 H CYS 120 -12.730 -3.231 -14.703 924 HA CYS 120 HA CYS 120 -14.493 -3.745 -12.388 925 HB2 CYS 120 1HB CYS 120 -11.975 -2.081 -12.607 926 HB3 CYS 120 2HB CYS 120 -12.767 -2.608 -11.126 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -9.318 -7.823 10.080 2 H2 GLY 1 2H GLY 1 -8.111 -8.912 10.336 3 H3 GLY 1 3H GLY 1 -7.846 -7.313 10.624 4 HA2 GLY 1 1HA GLY 1 -8.149 -6.790 8.308 5 HA3 GLY 1 2HA GLY 1 -6.796 -7.899 8.570 6 H LYS 2 H LYS 2 -7.781 -7.786 6.122 7 HA LYS 2 HA LYS 2 -9.163 -10.320 5.571 8 HB2 LYS 2 1HB LYS 2 -11.023 -9.260 4.403 9 HB3 LYS 2 2HB LYS 2 -11.007 -8.742 6.088 10 HG2 LYS 2 1HG LYS 2 -9.970 -6.594 5.461 11 HG3 LYS 2 2HG LYS 2 -9.888 -7.090 3.772 12 HD2 LYS 2 1HD LYS 2 -12.492 -6.818 5.320 13 HD3 LYS 2 2HD LYS 2 -11.764 -5.528 4.350 14 HE2 LYS 2 1HE LYS 2 -11.830 -6.978 2.335 15 HE3 LYS 2 2HE LYS 2 -12.606 -8.258 3.279 16 HZ1 LYS 2 3HZ LYS 2 -14.238 -6.940 2.069 17 HZ2 LYS 2 1HZ LYS 2 -14.469 -6.745 3.674 18 HZ3 LYS 2 2HZ LYS 2 -13.752 -5.561 2.801 19 H THR 3 H THR 3 -9.398 -10.718 3.232 20 HA THR 3 HA THR 3 -7.250 -9.417 1.620 21 HB THR 3 HB THR 3 -8.374 -12.181 1.127 22 HG1 THR 3 1HG THR 3 -6.538 -12.901 2.224 23 HG21 THR 3 3HG2 THR 3 -6.221 -12.418 -0.115 24 HG22 THR 3 1HG2 THR 3 -7.189 -11.091 -0.775 25 HG23 THR 3 2HG2 THR 3 -5.811 -10.734 0.287 26 H PHE 4 H PHE 4 -7.807 -8.301 -0.068 27 HA PHE 4 HA PHE 4 -10.618 -8.184 -0.998 28 HB2 PHE 4 1HB PHE 4 -8.156 -6.472 -1.508 29 HB3 PHE 4 2HB PHE 4 -9.664 -6.212 -2.337 30 HD1 PHE 4 1HD PHE 4 -8.167 -6.312 1.118 31 HD2 PHE 4 2HD PHE 4 -11.355 -4.829 -1.390 32 HE1 PHE 4 1HE PHE 4 -9.008 -4.923 2.988 33 HE2 PHE 4 2HE PHE 4 -12.195 -3.465 0.489 34 HZ PHE 4 HZ PHE 4 -11.034 -3.515 2.690 35 H THR 5 H THR 5 -11.090 -8.203 -3.236 36 HA THR 5 HA THR 5 -9.351 -9.914 -4.977 37 HB THR 5 HB THR 5 -11.665 -10.717 -4.646 38 HG1 THR 5 1HG THR 5 -11.882 -11.094 -6.850 39 HG21 THR 5 3HG2 THR 5 -13.536 -9.631 -5.727 40 HG22 THR 5 1HG2 THR 5 -12.848 -8.477 -4.577 41 HG23 THR 5 2HG2 THR 5 -12.516 -8.310 -6.319 42 H ARG 6 H ARG 6 -9.210 -9.124 -7.305 43 HA ARG 6 HA ARG 6 -7.989 -6.576 -7.260 44 HB2 ARG 6 1HB ARG 6 -7.497 -8.374 -8.889 45 HB3 ARG 6 2HB ARG 6 -9.015 -8.032 -9.728 46 HG2 ARG 6 1HG ARG 6 -8.260 -5.727 -10.211 47 HG3 ARG 6 2HG ARG 6 -6.783 -5.983 -9.273 48 HD2 ARG 6 1HD ARG 6 -7.567 -7.499 -11.792 49 HD3 ARG 6 2HD ARG 6 -6.441 -6.137 -11.721 50 HE ARG 6 HE ARG 6 -5.185 -7.661 -9.985 51 HH11 ARG 6 1HH1 ARG 6 -6.831 -9.040 -12.816 52 HH12 ARG 6 2HH1 ARG 6 -5.700 -10.355 -12.915 53 HH21 ARG 6 1HH2 ARG 6 -3.703 -9.203 -10.295 54 HH22 ARG 6 2HH2 ARG 6 -3.954 -10.480 -11.471 55 H CYS 7 H CYS 7 -11.222 -7.397 -8.639 56 HA CYS 7 HA CYS 7 -11.925 -4.724 -9.376 57 HB2 CYS 7 1HB CYS 7 -13.057 -6.795 -10.148 58 HB3 CYS 7 2HB CYS 7 -13.745 -7.014 -8.538 59 H GLY 8 H GLY 8 -12.318 -6.409 -6.261 60 HA2 GLY 8 1HA GLY 8 -13.791 -4.340 -4.903 61 HA3 GLY 8 2HA GLY 8 -12.816 -5.622 -4.142 62 H LEU 9 H LEU 9 -10.257 -5.074 -5.026 63 HA LEU 9 HA LEU 9 -9.396 -2.830 -3.507 64 HB2 LEU 9 1HB LEU 9 -8.083 -4.896 -3.985 65 HB3 LEU 9 2HB LEU 9 -7.993 -4.447 -5.689 66 HG LEU 9 HG LEU 9 -6.742 -2.400 -5.091 67 HD11 LEU 9 1HD1 LEU 9 -7.564 -1.925 -2.859 68 HD12 LEU 9 2HD1 LEU 9 -6.972 -3.487 -2.260 69 HD13 LEU 9 3HD1 LEU 9 -5.822 -2.209 -2.745 70 HD21 LEU 9 3HD2 LEU 9 -4.646 -3.473 -4.560 71 HD22 LEU 9 1HD2 LEU 9 -5.486 -4.874 -3.856 72 HD23 LEU 9 2HD2 LEU 9 -5.573 -4.558 -5.606 73 H VAL 10 H VAL 10 -9.636 -3.178 -7.092 74 HA VAL 10 HA VAL 10 -8.855 -0.580 -7.851 75 HB VAL 10 HB VAL 10 -10.982 -2.422 -9.012 76 HG11 VAL 10 1HG1 VAL 10 -11.713 -0.268 -9.753 77 HG12 VAL 10 2HG1 VAL 10 -10.062 0.265 -10.087 78 HG13 VAL 10 3HG1 VAL 10 -10.822 -0.975 -11.098 79 HG21 VAL 10 3HG2 VAL 10 -9.355 -2.799 -10.788 80 HG22 VAL 10 1HG2 VAL 10 -8.230 -1.639 -10.055 81 HG23 VAL 10 2HG2 VAL 10 -8.611 -3.159 -9.234 82 H HIS 11 H HIS 11 -12.104 -1.660 -6.772 83 HA HIS 11 HA HIS 11 -13.357 0.944 -6.930 84 HB2 HIS 11 1HB HIS 11 -14.078 -1.596 -5.421 85 HB3 HIS 11 2HB HIS 11 -15.083 -0.162 -5.455 86 HD2 HIS 11 2HD HIS 11 -13.673 -0.552 -8.886 87 HE1 HIS 11 1HE HIS 11 -17.377 -2.639 -8.986 88 HE2 HIS 11 2HE HIS 11 -15.498 -1.683 -10.411 89 H GLU 12 H GLU 12 -11.833 -0.806 -4.218 90 HA GLU 12 HA GLU 12 -12.550 1.027 -2.176 91 HB2 GLU 12 1HB GLU 12 -11.518 -1.422 -2.154 92 HB3 GLU 12 2HB GLU 12 -9.989 -0.579 -2.085 93 HG2 GLU 12 1HG GLU 12 -10.823 -1.266 0.114 94 HG3 GLU 12 2HG GLU 12 -10.670 0.497 -0.005 95 H LEU 13 H LEU 13 -9.643 0.859 -4.229 96 HA LEU 13 HA LEU 13 -8.368 3.214 -3.121 97 HB2 LEU 13 1HB LEU 13 -8.058 1.791 -5.778 98 HB3 LEU 13 2HB LEU 13 -6.911 2.965 -5.130 99 HG LEU 13 HG LEU 13 -7.582 0.310 -3.835 100 HD11 LEU 13 1HD1 LEU 13 -6.453 0.016 -5.974 101 HD12 LEU 13 2HD1 LEU 13 -5.198 1.189 -5.500 102 HD13 LEU 13 3HD1 LEU 13 -5.334 -0.369 -4.648 103 HD21 LEU 13 3HD2 LEU 13 -5.629 0.674 -2.441 104 HD22 LEU 13 1HD2 LEU 13 -5.374 2.279 -3.185 105 HD23 LEU 13 2HD2 LEU 13 -6.810 1.963 -2.184 106 H ARG 14 H ARG 14 -10.503 2.719 -5.934 107 HA ARG 14 HA ARG 14 -10.485 5.397 -6.931 108 HB2 ARG 14 1HB ARG 14 -12.586 3.228 -6.956 109 HB3 ARG 14 2HB ARG 14 -12.931 4.830 -7.604 110 HG2 ARG 14 1HG ARG 14 -11.267 4.667 -9.297 111 HG3 ARG 14 2HG ARG 14 -10.553 3.216 -8.568 112 HD2 ARG 14 1HD ARG 14 -12.542 1.923 -8.986 113 HD3 ARG 14 2HD ARG 14 -13.407 3.352 -9.610 114 HE ARG 14 HE ARG 14 -11.074 2.976 -11.161 115 HH11 ARG 14 1HH1 ARG 14 -14.198 1.360 -10.614 116 HH12 ARG 14 2HH1 ARG 14 -14.021 0.401 -12.080 117 HH21 ARG 14 1HH2 ARG 14 -11.071 1.678 -13.130 118 HH22 ARG 14 2HH2 ARG 14 -12.407 0.561 -13.367 119 H LYS 15 H LYS 15 -12.493 3.983 -4.285 120 HA LYS 15 HA LYS 15 -13.857 6.457 -3.618 121 HB2 LYS 15 1HB LYS 15 -13.267 3.932 -2.035 122 HB3 LYS 15 2HB LYS 15 -14.253 5.257 -1.421 123 HG2 LYS 15 1HG LYS 15 -15.879 4.984 -3.227 124 HG3 LYS 15 2HG LYS 15 -14.930 3.684 -3.945 125 HD2 LYS 15 1HD LYS 15 -16.210 3.627 -1.175 126 HD3 LYS 15 2HD LYS 15 -16.840 2.827 -2.625 127 HE2 LYS 15 1HE LYS 15 -14.767 1.458 -2.775 128 HE3 LYS 15 2HE LYS 15 -14.142 2.246 -1.321 129 HZ1 LYS 15 3HZ LYS 15 -15.088 0.146 -0.761 130 HZ2 LYS 15 1HZ LYS 15 -16.005 1.314 -0.082 131 HZ3 LYS 15 2HZ LYS 15 -16.550 0.528 -1.417 132 H HIS 16 H HIS 16 -10.782 5.042 -2.549 133 HA HIS 16 HA HIS 16 -10.346 7.080 -0.520 134 HB2 HIS 16 1HB HIS 16 -8.654 4.755 -1.509 135 HB3 HIS 16 2HB HIS 16 -8.239 5.789 -0.142 136 HD2 HIS 16 2HD HIS 16 -8.383 3.055 0.796 137 HE1 HIS 16 1HE HIS 16 -12.480 3.459 1.833 138 HE2 HIS 16 2HE HIS 16 -10.416 2.037 2.148 139 H GLY 17 H GLY 17 -10.042 7.461 -3.750 140 HA2 GLY 17 1HA GLY 17 -9.415 9.515 -4.683 141 HA3 GLY 17 2HA GLY 17 -8.331 9.838 -3.312 142 H PHE 18 H PHE 18 -8.048 6.766 -5.010 143 HA PHE 18 HA PHE 18 -5.419 7.536 -6.106 144 HB2 PHE 18 1HB PHE 18 -6.933 4.930 -6.089 145 HB3 PHE 18 2HB PHE 18 -5.362 5.184 -6.836 146 HD1 PHE 18 2HD PHE 18 -6.938 5.766 -3.415 147 HD2 PHE 18 1HD PHE 18 -3.538 4.410 -5.687 148 HE1 PHE 18 2HE PHE 18 -5.760 5.263 -1.336 149 HE2 PHE 18 1HE PHE 18 -2.352 3.872 -3.576 150 HZ PHE 18 HZ PHE 18 -3.450 4.298 -1.395 151 H GLU 19 H GLU 19 -4.987 7.769 -8.310 152 HA GLU 19 HA GLU 19 -7.214 8.613 -9.954 153 HB2 GLU 19 1HB GLU 19 -4.279 8.276 -10.660 154 HB3 GLU 19 2HB GLU 19 -5.492 9.109 -11.632 155 HG2 GLU 19 1HG GLU 19 -4.577 9.977 -8.864 156 HG3 GLU 19 2HG GLU 19 -4.010 10.633 -10.393 157 H GLU 20 H GLU 20 -8.198 7.627 -11.655 158 HA GLU 20 HA GLU 20 -8.122 4.831 -11.914 159 HB2 GLU 20 1HB GLU 20 -9.641 5.089 -13.769 160 HB3 GLU 20 2HB GLU 20 -10.069 6.179 -12.454 161 HG2 GLU 20 1HG GLU 20 -8.972 8.067 -13.696 162 HG3 GLU 20 2HG GLU 20 -8.617 6.960 -15.025 163 H ASN 21 H ASN 21 -6.150 7.207 -13.661 164 HA ASN 21 HA ASN 21 -5.257 5.252 -15.644 165 HB2 ASN 21 1HB ASN 21 -3.950 6.966 -16.558 166 HB3 ASN 21 2HB ASN 21 -5.489 7.702 -16.130 167 HD21 ASN 21 2HD2 ASN 21 -2.583 8.766 -16.447 168 HD22 ASN 21 1HD2 ASN 21 -2.347 9.679 -14.966 169 H LEU 22 H LEU 22 -4.334 6.011 -12.399 170 HA LEU 22 HA LEU 22 -1.692 4.627 -12.682 171 HB2 LEU 22 1HB LEU 22 -2.949 6.061 -10.312 172 HB3 LEU 22 2HB LEU 22 -1.327 5.376 -10.378 173 HG LEU 22 HG LEU 22 -2.356 7.766 -11.937 174 HD11 LEU 22 1HD1 LEU 22 -1.914 8.165 -9.544 175 HD12 LEU 22 2HD1 LEU 22 -0.272 7.512 -9.733 176 HD13 LEU 22 3HD1 LEU 22 -0.738 9.015 -10.561 177 HD21 LEU 22 3HD2 LEU 22 -0.021 8.071 -12.730 178 HD22 LEU 22 1HD2 LEU 22 0.421 6.503 -12.030 179 HD23 LEU 22 2HD2 LEU 22 -0.742 6.594 -13.372 180 H MET 23 H MET 23 -4.947 3.994 -11.774 181 HA MET 23 HA MET 23 -4.832 2.267 -9.679 182 HB2 MET 23 1HB MET 23 -6.804 3.158 -11.076 183 HB3 MET 23 2HB MET 23 -6.602 1.751 -12.091 184 HG2 MET 23 1HG MET 23 -8.363 1.417 -10.406 185 HG3 MET 23 2HG MET 23 -7.047 0.269 -10.167 186 HE1 MET 23 3HE MET 23 -8.136 3.925 -7.620 187 HE2 MET 23 1HE MET 23 -6.913 4.180 -8.887 188 HE3 MET 23 2HE MET 23 -8.539 3.616 -9.315 189 H ARG 24 H ARG 24 -4.171 1.253 -13.073 190 HA ARG 24 HA ARG 24 -3.806 -1.500 -12.638 191 HB2 ARG 24 1HB ARG 24 -2.160 0.252 -14.533 192 HB3 ARG 24 2HB ARG 24 -2.365 -1.499 -14.613 193 HG2 ARG 24 1HG ARG 24 -4.838 -1.118 -14.984 194 HG3 ARG 24 2HG ARG 24 -4.485 0.621 -15.071 195 HD2 ARG 24 1HD ARG 24 -4.600 -0.156 -17.308 196 HD3 ARG 24 2HD ARG 24 -2.890 0.149 -16.953 197 HE ARG 24 HE ARG 24 -3.651 -2.603 -16.417 198 HH11 ARG 24 1HH1 ARG 24 -2.854 -0.491 -19.149 199 HH12 ARG 24 2HH1 ARG 24 -2.376 -1.828 -20.151 200 HH21 ARG 24 1HH2 ARG 24 -2.985 -4.260 -17.737 201 HH22 ARG 24 2HH2 ARG 24 -2.458 -3.938 -19.361 202 H ASN 25 H ASN 25 -1.341 1.113 -12.412 203 HA ASN 25 HA ASN 25 0.863 -0.548 -11.637 204 HB2 ASN 25 1HB ASN 25 0.323 2.417 -11.120 205 HB3 ASN 25 2HB ASN 25 1.816 1.583 -10.729 206 HD21 ASN 25 2HD2 ASN 25 2.954 3.092 -12.084 207 HD22 ASN 25 1HD2 ASN 25 2.940 2.850 -13.825 208 H TRP 26 H TRP 26 -1.529 1.331 -9.696 209 HA TRP 26 HA TRP 26 -0.407 0.679 -7.166 210 HB2 TRP 26 1HB TRP 26 -3.136 1.645 -8.062 211 HB3 TRP 26 2HB TRP 26 -2.787 1.290 -6.377 212 HD1 TRP 26 HD TRP 26 -2.624 4.089 -8.720 213 HE1 TRP 26 1HE TRP 26 -1.266 6.029 -7.768 214 HE3 TRP 26 3HE TRP 26 -0.318 1.633 -4.866 215 HZ2 TRP 26 2HZ TRP 26 0.391 6.531 -5.418 216 HZ3 TRP 26 3HZ TRP 26 1.122 2.866 -3.273 217 HH2 TRP 26 HH TRP 26 1.462 5.315 -3.522 218 H VAL 27 H VAL 27 -3.210 -0.932 -8.839 219 HA VAL 27 HA VAL 27 -3.445 -2.832 -6.693 220 HB VAL 27 HB VAL 27 -4.897 -4.170 -7.953 221 HG11 VAL 27 1HG1 VAL 27 -5.639 -1.900 -7.142 222 HG12 VAL 27 2HG1 VAL 27 -5.503 -1.333 -8.821 223 HG13 VAL 27 3HG1 VAL 27 -6.625 -2.638 -8.407 224 HG21 VAL 27 3HG2 VAL 27 -5.423 -3.797 -10.353 225 HG22 VAL 27 1HG2 VAL 27 -4.025 -2.705 -10.467 226 HG23 VAL 27 2HG2 VAL 27 -3.794 -4.425 -10.077 227 H CYS 28 H CYS 28 -1.480 -2.951 -9.692 228 HA CYS 28 HA CYS 28 -0.649 -5.681 -9.279 229 HB2 CYS 28 1HB CYS 28 -0.629 -4.264 -11.387 230 HB3 CYS 28 2HB CYS 28 0.871 -3.549 -10.813 231 H LEU 29 H LEU 29 0.849 -2.556 -8.355 232 HA LEU 29 HA LEU 29 3.125 -3.526 -6.964 233 HB2 LEU 29 1HB LEU 29 2.740 -1.220 -7.589 234 HB3 LEU 29 2HB LEU 29 1.338 -1.083 -6.546 235 HG LEU 29 HG LEU 29 4.163 -1.541 -5.500 236 HD11 LEU 29 1HD1 LEU 29 3.957 0.587 -6.809 237 HD12 LEU 29 2HD1 LEU 29 2.583 1.061 -5.787 238 HD13 LEU 29 3HD1 LEU 29 4.204 0.882 -5.089 239 HD21 LEU 29 3HD2 LEU 29 3.168 -0.486 -3.411 240 HD22 LEU 29 1HD2 LEU 29 1.566 -0.641 -4.153 241 HD23 LEU 29 2HD2 LEU 29 2.535 -2.082 -3.765 242 H VAL 30 H VAL 30 -0.147 -2.794 -5.636 243 HA VAL 30 HA VAL 30 0.365 -3.814 -3.042 244 HB VAL 30 HB VAL 30 -2.197 -3.488 -4.621 245 HG11 VAL 30 1HG1 VAL 30 -2.723 -5.266 -3.043 246 HG12 VAL 30 2HG1 VAL 30 -1.932 -4.376 -1.725 247 HG13 VAL 30 3HG1 VAL 30 -3.429 -3.761 -2.468 248 HG21 VAL 30 3HG2 VAL 30 -2.538 -1.582 -3.111 249 HG22 VAL 30 1HG2 VAL 30 -1.072 -2.003 -2.198 250 HG23 VAL 30 2HG2 VAL 30 -0.946 -1.436 -3.871 251 H GLU 31 H GLU 31 -0.867 -5.582 -5.929 252 HA GLU 31 HA GLU 31 -1.270 -8.054 -4.595 253 HB2 GLU 31 1HB GLU 31 -0.768 -7.284 -7.488 254 HB3 GLU 31 2HB GLU 31 -0.905 -8.984 -7.023 255 HG2 GLU 31 1HG GLU 31 -3.108 -8.717 -6.181 256 HG3 GLU 31 2HG GLU 31 -3.047 -6.956 -6.300 257 H HIS 32 H HIS 32 1.715 -6.696 -5.972 258 HA HIS 32 HA HIS 32 3.208 -9.181 -5.366 259 HB2 HIS 32 1HB HIS 32 3.805 -6.582 -6.771 260 HB3 HIS 32 2HB HIS 32 5.096 -7.709 -6.320 261 HD2 HIS 32 2HD HIS 32 2.829 -7.049 -9.150 262 HE1 HIS 32 1HE HIS 32 3.858 -11.151 -9.590 263 HE2 HIS 32 2HE HIS 32 2.793 -9.139 -10.738 264 H GLU 33 H GLU 33 2.539 -6.205 -3.730 265 HA GLU 33 HA GLU 33 4.765 -6.513 -1.821 266 HB2 GLU 33 1HB GLU 33 2.463 -4.558 -2.069 267 HB3 GLU 33 2HB GLU 33 3.501 -4.595 -0.658 268 HG2 GLU 33 1HG GLU 33 4.461 -4.128 -3.505 269 HG3 GLU 33 2HG GLU 33 4.215 -2.893 -2.277 270 H SER 34 H SER 34 1.149 -6.408 -1.262 271 HA SER 34 HA SER 34 1.580 -8.234 1.083 272 HB2 SER 34 1HB SER 34 -0.500 -7.338 1.927 273 HB3 SER 34 2HB SER 34 0.586 -6.000 1.531 274 HG SER 34 HG SER 34 -0.809 -5.322 0.124 275 H SER 35 H SER 35 0.327 -8.266 -2.080 276 HA SER 35 HA SER 35 -1.077 -9.575 -3.262 277 HB2 SER 35 1HB SER 35 -1.025 -11.611 -1.034 278 HB3 SER 35 2HB SER 35 -1.548 -11.841 -2.706 279 HG SER 35 HG SER 35 0.681 -11.164 -3.296 280 H ARG 36 H ARG 36 -2.120 -7.472 -1.614 281 HA ARG 36 HA ARG 36 -4.100 -6.476 -1.368 282 HB2 ARG 36 1HB ARG 36 -5.612 -8.915 -2.334 283 HB3 ARG 36 2HB ARG 36 -6.100 -7.224 -2.358 284 HG2 ARG 36 1HG ARG 36 -4.188 -6.818 -4.015 285 HG3 ARG 36 2HG ARG 36 -4.021 -8.566 -4.116 286 HD2 ARG 36 1HD ARG 36 -6.608 -7.066 -4.706 287 HD3 ARG 36 2HD ARG 36 -5.453 -7.564 -5.931 288 HE ARG 36 HE ARG 36 -6.956 -9.412 -4.108 289 HH11 ARG 36 1HH1 ARG 36 -5.540 -8.947 -7.368 290 HH12 ARG 36 2HH1 ARG 36 -5.950 -10.578 -7.814 291 HH21 ARG 36 1HH2 ARG 36 -7.378 -11.456 -4.782 292 HH22 ARG 36 2HH2 ARG 36 -7.013 -11.951 -6.406 293 H ASP 37 H ASP 37 -2.910 -8.016 0.749 294 HA ASP 37 HA ASP 37 -5.272 -8.852 2.421 295 HB2 ASP 37 1HB ASP 37 -3.846 -10.731 1.731 296 HB3 ASP 37 2HB ASP 37 -2.439 -9.927 2.415 297 H THR 38 H THR 38 -5.707 -7.413 3.990 298 HA THR 38 HA THR 38 -3.745 -5.442 4.839 299 HB THR 38 HB THR 38 -5.328 -4.682 6.503 300 HG1 THR 38 1HG THR 38 -7.242 -5.603 6.782 301 HG21 THR 38 3HG2 THR 38 -7.186 -4.009 5.064 302 HG22 THR 38 1HG2 THR 38 -5.626 -3.831 4.245 303 HG23 THR 38 2HG2 THR 38 -6.701 -5.200 3.841 304 H SER 39 H SER 39 -4.506 -8.675 6.008 305 HA SER 39 HA SER 39 -3.544 -8.202 8.731 306 HB2 SER 39 1HB SER 39 -4.162 -10.751 7.188 307 HB3 SER 39 2HB SER 39 -3.740 -10.672 8.895 308 HG SER 39 HG SER 39 -6.008 -10.754 8.566 309 H LYS 40 H LYS 40 -1.854 -8.300 5.880 310 HA LYS 40 HA LYS 40 0.199 -10.211 6.550 311 HB2 LYS 40 1HB LYS 40 -0.791 -9.377 4.247 312 HB3 LYS 40 2HB LYS 40 0.385 -8.096 4.392 313 HG2 LYS 40 1HG LYS 40 1.655 -9.562 3.200 314 HG3 LYS 40 2HG LYS 40 2.036 -10.252 4.777 315 HD2 LYS 40 1HD LYS 40 -0.186 -11.170 2.886 316 HD3 LYS 40 2HD LYS 40 1.387 -11.949 3.042 317 HE2 LYS 40 1HE LYS 40 0.930 -12.702 5.271 318 HE3 LYS 40 2HE LYS 40 -0.493 -11.652 5.417 319 HZ1 LYS 40 3HZ LYS 40 -1.031 -14.003 4.958 320 HZ2 LYS 40 1HZ LYS 40 -1.687 -12.940 3.912 321 HZ3 LYS 40 2HZ LYS 40 -0.385 -13.854 3.459 322 H THR 41 H THR 41 2.249 -9.970 7.119 323 HA THR 41 HA THR 41 3.485 -7.369 7.744 324 HB THR 41 HB THR 41 4.299 -8.404 9.956 325 HG1 THR 41 1HG THR 41 3.465 -10.493 9.576 326 HG21 THR 41 3HG2 THR 41 2.444 -7.655 11.300 327 HG22 THR 41 1HG2 THR 41 2.777 -6.511 10.009 328 HG23 THR 41 2HG2 THR 41 1.375 -7.606 9.869 329 H ASN 42 H ASN 42 5.764 -7.428 7.874 330 HA ASN 42 HA ASN 42 7.140 -10.045 7.528 331 HB2 ASN 42 1HB ASN 42 6.740 -7.930 5.489 332 HB3 ASN 42 2HB ASN 42 8.385 -8.494 5.600 333 HD21 ASN 42 2HD2 ASN 42 5.563 -8.913 3.917 334 HD22 ASN 42 1HD2 ASN 42 5.751 -10.600 3.470 335 H THR 43 H THR 43 8.856 -10.127 8.826 336 HA THR 43 HA THR 43 9.962 -7.705 10.092 337 HB THR 43 HB THR 43 10.760 -10.604 10.510 338 HG1 THR 43 1HG THR 43 9.259 -10.555 12.163 339 HG21 THR 43 3HG2 THR 43 11.416 -9.729 12.777 340 HG22 THR 43 1HG2 THR 43 12.386 -9.026 11.481 341 HG23 THR 43 2HG2 THR 43 11.074 -8.078 12.215 342 H ASN 44 H ASN 44 12.044 -6.998 9.943 343 HA ASN 44 HA ASN 44 13.516 -7.779 7.457 344 HB2 ASN 44 1HB ASN 44 13.266 -5.057 8.807 345 HB3 ASN 44 2HB ASN 44 14.096 -5.401 7.290 346 HD21 ASN 44 2HD2 ASN 44 10.962 -5.148 8.861 347 HD22 ASN 44 1HD2 ASN 44 9.989 -5.176 7.386 348 H ARG 45 H ARG 45 15.816 -7.351 7.422 349 HA ARG 45 HA ARG 45 17.208 -8.554 9.584 350 HB2 ARG 45 1HB ARG 45 18.371 -6.876 7.320 351 HB3 ARG 45 2HB ARG 45 19.253 -8.010 8.352 352 HG2 ARG 45 1HG ARG 45 17.725 -9.855 7.506 353 HG3 ARG 45 2HG ARG 45 17.024 -8.675 6.389 354 HD2 ARG 45 1HD ARG 45 18.645 -9.931 5.163 355 HD3 ARG 45 2HD ARG 45 19.297 -8.301 5.403 356 HE ARG 45 HE ARG 45 20.148 -10.095 7.504 357 HH11 ARG 45 1HH1 ARG 45 20.870 -9.371 4.117 358 HH12 ARG 45 2HH1 ARG 45 22.500 -9.966 4.244 359 HH21 ARG 45 1HH2 ARG 45 22.260 -10.834 7.603 360 HH22 ARG 45 2HH2 ARG 45 23.270 -10.786 6.190 361 H ASN 46 H ASN 46 16.514 -5.201 9.017 362 HA ASN 46 HA ASN 46 18.400 -4.111 10.938 363 HB2 ASN 46 1HB ASN 46 17.479 -2.947 8.906 364 HB3 ASN 46 2HB ASN 46 15.910 -2.855 9.711 365 HD21 ASN 46 2HD2 ASN 46 19.401 -1.984 10.255 366 HD22 ASN 46 1HD2 ASN 46 19.024 -0.471 11.060 367 H GLY 47 H GLY 47 15.556 -5.889 11.454 368 HA2 GLY 47 1HA GLY 47 14.660 -6.516 13.501 369 HA3 GLY 47 2HA GLY 47 15.408 -5.113 14.297 370 H SER 48 H SER 48 13.808 -3.999 11.577 371 HA SER 48 HA SER 48 11.374 -3.164 13.056 372 HB2 SER 48 1HB SER 48 11.032 -1.742 11.062 373 HB3 SER 48 2HB SER 48 12.565 -1.434 11.878 374 HG SER 48 HG SER 48 13.044 -1.565 9.711 375 H LYS 49 H LYS 49 9.299 -3.298 11.918 376 HA LYS 49 HA LYS 49 9.029 -5.658 10.117 377 HB2 LYS 49 1HB LYS 49 8.371 -6.020 12.583 378 HB3 LYS 49 2HB LYS 49 6.983 -4.986 12.239 379 HG2 LYS 49 1HG LYS 49 6.357 -6.563 10.371 380 HG3 LYS 49 2HG LYS 49 7.677 -7.611 10.880 381 HD2 LYS 49 1HD LYS 49 5.222 -6.852 12.511 382 HD3 LYS 49 2HD LYS 49 5.551 -8.413 11.742 383 HE2 LYS 49 1HE LYS 49 7.589 -8.659 13.168 384 HE3 LYS 49 2HE LYS 49 7.139 -7.169 14.016 385 HZ1 LYS 49 3HZ LYS 49 6.360 -9.129 15.204 386 HZ2 LYS 49 1HZ LYS 49 5.072 -8.263 14.694 387 HZ3 LYS 49 2HZ LYS 49 5.497 -9.640 13.916 388 H ASP 50 H ASP 50 7.498 -5.575 8.603 389 HA ASP 50 HA ASP 50 6.293 -2.953 7.945 390 HB2 ASP 50 1HB ASP 50 6.694 -3.303 5.830 391 HB3 ASP 50 2HB ASP 50 7.841 -4.512 6.380 392 H TYR 51 H TYR 51 4.147 -2.731 7.531 393 HA TYR 51 HA TYR 51 2.270 -4.889 8.405 394 HB2 TYR 51 1HB TYR 51 2.438 -1.983 9.309 395 HB3 TYR 51 2HB TYR 51 1.139 -3.090 9.727 396 HD1 TYR 51 2HD TYR 51 4.734 -2.298 10.209 397 HD2 TYR 51 1HD TYR 51 1.382 -4.641 11.541 398 HE1 TYR 51 2HE TYR 51 5.969 -2.882 12.271 399 HE2 TYR 51 1HE TYR 51 2.602 -5.222 13.629 400 HH TYR 51 HH TYR 51 4.534 -4.929 14.857 401 H GLY 52 H GLY 52 0.261 -4.909 7.499 402 HA2 GLY 52 1HA GLY 52 -1.668 -4.136 6.473 403 HA3 GLY 52 2HA GLY 52 -0.940 -2.530 6.347 404 H LEU 53 H LEU 53 -2.365 -2.855 4.382 405 HA LEU 53 HA LEU 53 -1.712 -4.671 2.375 406 HB2 LEU 53 1HB LEU 53 -3.782 -2.926 2.836 407 HB3 LEU 53 2HB LEU 53 -2.902 -1.967 1.659 408 HG LEU 53 HG LEU 53 -2.915 -4.277 0.276 409 HD11 LEU 53 1HD1 LEU 53 -3.950 -5.560 2.074 410 HD12 LEU 53 2HD1 LEU 53 -5.364 -4.478 2.067 411 HD13 LEU 53 3HD1 LEU 53 -5.035 -5.479 0.664 412 HD21 LEU 53 3HD2 LEU 53 -5.014 -3.657 -0.774 413 HD22 LEU 53 1HD2 LEU 53 -5.355 -2.512 0.555 414 HD23 LEU 53 2HD2 LEU 53 -3.971 -2.231 -0.537 415 H PHE 54 H PHE 54 -0.238 -1.551 2.861 416 HA PHE 54 HA PHE 54 1.247 -1.797 0.283 417 HB2 PHE 54 1HB PHE 54 0.944 0.533 2.195 418 HB3 PHE 54 2HB PHE 54 1.856 0.569 0.698 419 HD1 PHE 54 2HD PHE 54 -1.564 0.304 2.117 420 HD2 PHE 54 1HD PHE 54 0.780 0.843 -1.455 421 HE1 PHE 54 2HE PHE 54 -3.601 0.961 0.899 422 HE2 PHE 54 1HE PHE 54 -1.267 1.529 -2.677 423 HZ PHE 54 HZ PHE 54 -3.464 1.582 -1.517 424 H GLN 55 H GLN 55 1.663 -3.156 3.151 425 HA GLN 55 HA GLN 55 3.417 -3.895 4.395 426 HB2 GLN 55 1HB GLN 55 4.812 -3.532 1.714 427 HB3 GLN 55 2HB GLN 55 5.455 -4.465 3.048 428 HG2 GLN 55 1HG GLN 55 2.865 -5.049 1.536 429 HG3 GLN 55 2HG GLN 55 4.418 -5.831 1.272 430 HE21 GLN 55 2HE2 GLN 55 1.697 -5.529 3.654 431 HE22 GLN 55 1HE2 GLN 55 2.175 -6.964 4.513 432 H ILE 56 H ILE 56 2.982 -1.532 5.281 433 HA ILE 56 HA ILE 56 5.156 0.388 4.795 434 HB ILE 56 HB ILE 56 2.785 0.717 6.682 435 HG12 ILE 56 1HG1 ILE 56 2.972 1.260 3.674 436 HG13 ILE 56 2HG1 ILE 56 1.864 0.116 4.458 437 HG21 ILE 56 1HG2 ILE 56 4.672 2.304 6.857 438 HG22 ILE 56 2HG2 ILE 56 4.444 2.739 5.145 439 HG23 ILE 56 3HG2 ILE 56 3.179 3.077 6.353 440 HD11 ILE 56 3HD1 ILE 56 0.530 1.972 3.873 441 HD12 ILE 56 1HD1 ILE 56 0.795 2.131 5.619 442 HD13 ILE 56 2HD1 ILE 56 1.721 3.127 4.466 443 H ASN 57 H ASN 57 6.835 0.821 6.179 444 HA ASN 57 HA ASN 57 7.164 -1.104 8.374 445 HB2 ASN 57 1HB ASN 57 8.774 -0.936 6.524 446 HB3 ASN 57 2HB ASN 57 9.164 0.714 7.022 447 HD21 ASN 57 2HD2 ASN 57 10.038 -2.577 7.403 448 HD22 ASN 57 1HD2 ASN 57 11.066 -2.344 8.809 449 H ASP 58 H ASP 58 7.549 -0.709 10.433 450 HA ASP 58 HA ASP 58 6.474 1.555 11.671 451 HB2 ASP 58 1HB ASP 58 6.974 0.591 13.705 452 HB3 ASP 58 2HB ASP 58 6.635 -0.738 12.609 453 H ARG 59 H ARG 59 9.571 1.372 10.384 454 HA ARG 59 HA ARG 59 10.740 3.428 12.182 455 HB2 ARG 59 1HB ARG 59 11.673 1.086 11.744 456 HB3 ARG 59 2HB ARG 59 12.169 1.659 10.163 457 HG2 ARG 59 1HG ARG 59 13.741 3.188 11.062 458 HG3 ARG 59 2HG ARG 59 12.992 3.169 12.666 459 HD2 ARG 59 1HD ARG 59 14.357 0.762 11.395 460 HD3 ARG 59 2HD ARG 59 15.163 1.891 12.500 461 HE ARG 59 HE ARG 59 12.857 1.101 13.848 462 HH11 ARG 59 1HH1 ARG 59 15.671 -0.629 12.597 463 HH12 ARG 59 2HH1 ARG 59 15.593 -1.854 13.819 464 HH21 ARG 59 1HH2 ARG 59 12.760 -0.524 15.379 465 HH22 ARG 59 2HH2 ARG 59 13.953 -1.789 15.391 466 H TYR 60 H TYR 60 9.072 3.403 9.376 467 HA TYR 60 HA TYR 60 10.619 5.647 8.095 468 HB2 TYR 60 1HB TYR 60 9.223 3.254 6.847 469 HB3 TYR 60 2HB TYR 60 9.717 4.678 5.948 470 HD1 TYR 60 2HD TYR 60 11.118 1.966 8.116 471 HD2 TYR 60 1HD TYR 60 11.840 4.865 5.028 472 HE1 TYR 60 2HE TYR 60 13.413 1.046 7.815 473 HE2 TYR 60 1HE TYR 60 14.136 3.951 4.698 474 HH TYR 60 HH TYR 60 15.689 2.391 5.379 475 H TRP 61 H TRP 61 7.302 4.273 8.461 476 HA TRP 61 HA TRP 61 6.183 6.972 7.755 477 HB2 TRP 61 1HB TRP 61 5.446 4.335 6.521 478 HB3 TRP 61 2HB TRP 61 4.703 5.869 6.129 479 HD1 TRP 61 HD TRP 61 7.134 3.491 4.901 480 HE1 TRP 61 1HE TRP 61 8.646 4.475 3.079 481 HE3 TRP 61 3HE TRP 61 6.147 8.465 5.634 482 HZ2 TRP 61 2HZ TRP 61 9.335 7.089 2.057 483 HZ3 TRP 61 3HZ TRP 61 7.242 10.174 4.234 484 HH2 TRP 61 HH TRP 61 8.837 9.509 2.434 485 H CYS 62 H CYS 62 5.404 3.719 9.112 486 HA CYS 62 HA CYS 62 3.246 5.031 10.730 487 HB2 CYS 62 1HB CYS 62 2.488 2.682 11.160 488 HB3 CYS 62 2HB CYS 62 2.240 3.280 9.532 489 H SER 63 H SER 63 3.037 4.145 12.949 490 HA SER 63 HA SER 63 5.712 3.652 14.221 491 HB2 SER 63 1HB SER 63 4.191 5.837 14.551 492 HB3 SER 63 2HB SER 63 3.393 4.801 15.727 493 HG SER 63 HG SER 63 5.101 5.797 16.791 494 H LYS 64 H LYS 64 5.935 2.061 15.715 495 HA LYS 64 HA LYS 64 3.784 0.019 15.816 496 HB2 LYS 64 1HB LYS 64 5.528 -1.440 16.744 497 HB3 LYS 64 2HB LYS 64 5.968 -0.781 15.184 498 HG2 LYS 64 1HG LYS 64 7.671 0.566 16.065 499 HG3 LYS 64 2HG LYS 64 6.914 0.716 17.643 500 HD2 LYS 64 1HD LYS 64 9.004 -0.641 17.648 501 HD3 LYS 64 2HD LYS 64 7.588 -1.458 18.332 502 HE2 LYS 64 1HE LYS 64 7.231 -2.690 16.259 503 HE3 LYS 64 2HE LYS 64 8.577 -1.839 15.480 504 HZ1 LYS 64 3HZ LYS 64 9.264 -4.024 16.282 505 HZ2 LYS 64 1HZ LYS 64 10.074 -2.869 17.106 506 HZ3 LYS 64 2HZ LYS 64 8.829 -3.660 17.815 507 H GLY 65 H GLY 65 4.708 2.507 17.893 508 HA2 GLY 65 1HA GLY 65 4.676 1.051 20.395 509 HA3 GLY 65 2HA GLY 65 4.746 2.813 20.194 510 H ALA 66 H ALA 66 3.327 2.965 22.028 511 HA ALA 66 HA ALA 66 0.621 1.891 21.934 512 HB1 ALA 66 1HB ALA 66 1.916 2.149 24.028 513 HB2 ALA 66 2HB ALA 66 1.916 3.918 23.811 514 HB3 ALA 66 3HB ALA 66 0.391 3.048 24.083 515 H SER 67 H SER 67 1.836 4.348 20.127 516 HA SER 67 HA SER 67 -0.745 5.634 19.631 517 HB2 SER 67 1HB SER 67 1.545 7.069 21.015 518 HB3 SER 67 2HB SER 67 0.418 7.949 19.983 519 HG SER 67 HG SER 67 -0.458 6.286 22.124 520 HA PRO 68 HA PRO 68 1.305 6.296 15.636 521 HB2 PRO 68 1HB PRO 68 -0.078 8.425 14.637 522 HB3 PRO 68 2HB PRO 68 -0.818 6.802 14.805 523 HG2 PRO 68 1HG PRO 68 -1.033 9.147 16.715 524 HG3 PRO 68 2HG PRO 68 -2.359 8.143 16.040 525 HD2 PRO 68 1HD PRO 68 -1.306 7.652 18.492 526 HD3 PRO 68 2HD PRO 68 -1.800 6.311 17.418 527 H GLY 69 H GLY 69 2.646 7.981 14.522 528 HA2 GLY 69 1HA GLY 69 3.404 10.470 15.446 529 HA3 GLY 69 2HA GLY 69 4.278 9.395 16.523 530 H LYS 70 H LYS 70 3.702 10.178 13.150 531 HA LYS 70 HA LYS 70 6.498 9.976 12.336 532 HB2 LYS 70 1HB LYS 70 4.346 8.122 11.198 533 HB3 LYS 70 2HB LYS 70 5.875 8.420 10.382 534 HG2 LYS 70 1HG LYS 70 5.531 7.054 13.040 535 HG3 LYS 70 2HG LYS 70 5.861 6.314 11.484 536 HD2 LYS 70 1HD LYS 70 8.030 7.308 11.323 537 HD3 LYS 70 2HD LYS 70 7.802 8.236 12.812 538 HE2 LYS 70 1HE LYS 70 7.727 5.187 12.695 539 HE3 LYS 70 2HE LYS 70 9.200 6.113 12.994 540 HZ1 LYS 70 3HZ LYS 70 8.240 5.477 15.079 541 HZ2 LYS 70 1HZ LYS 70 8.088 7.101 14.945 542 HZ3 LYS 70 2HZ LYS 70 6.791 6.135 14.733 543 H ASP 71 H ASP 71 6.464 10.326 9.789 544 HA ASP 71 HA ASP 71 5.384 12.874 9.139 545 HB2 ASP 71 1HB ASP 71 7.260 11.849 7.946 546 HB3 ASP 71 2HB ASP 71 6.214 10.562 7.342 547 H CYS 72 H CYS 72 3.977 9.634 8.640 548 HA CYS 72 HA CYS 72 1.561 10.801 7.368 549 HB2 CYS 72 1HB CYS 72 2.401 7.921 7.757 550 HB3 CYS 72 2HB CYS 72 1.018 8.491 6.829 551 H ASN 73 H ASN 73 2.430 10.374 10.527 552 HA ASN 73 HA ASN 73 1.307 10.228 12.495 553 HB2 ASN 73 1HB ASN 73 -0.677 11.737 10.746 554 HB3 ASN 73 2HB ASN 73 -0.760 11.667 12.505 555 HD21 ASN 73 2HD2 ASN 73 0.820 13.231 9.816 556 HD22 ASN 73 1HD2 ASN 73 1.887 14.217 10.796 557 H VAL 74 H VAL 74 1.203 7.769 11.596 558 HA VAL 74 HA VAL 74 -1.470 6.733 12.324 559 HB VAL 74 HB VAL 74 -1.471 7.120 9.881 560 HG11 VAL 74 1HG1 VAL 74 0.937 6.717 9.392 561 HG12 VAL 74 2HG1 VAL 74 0.697 4.986 9.711 562 HG13 VAL 74 3HG1 VAL 74 -0.138 5.765 8.358 563 HG21 VAL 74 3HG2 VAL 74 -2.360 4.975 9.236 564 HG22 VAL 74 1HG2 VAL 74 -1.560 4.171 10.598 565 HG23 VAL 74 2HG2 VAL 74 -2.859 5.350 10.892 566 H LYS 75 H LYS 75 -1.524 4.712 13.139 567 HA LYS 75 HA LYS 75 1.036 3.636 14.148 568 HB2 LYS 75 1HB LYS 75 -1.069 4.365 15.495 569 HB3 LYS 75 2HB LYS 75 -1.747 2.815 15.001 570 HG2 LYS 75 1HG LYS 75 0.126 1.640 16.127 571 HG3 LYS 75 2HG LYS 75 0.895 3.197 16.461 572 HD2 LYS 75 1HD LYS 75 -0.066 2.616 18.475 573 HD3 LYS 75 2HD LYS 75 -1.150 3.834 17.847 574 HE2 LYS 75 1HE LYS 75 -1.720 0.873 17.420 575 HE3 LYS 75 2HE LYS 75 -2.000 1.607 18.995 576 HZ1 LYS 75 3HZ LYS 75 -4.011 1.683 17.728 577 HZ2 LYS 75 1HZ LYS 75 -3.495 3.214 17.926 578 HZ3 LYS 75 2HZ LYS 75 -3.336 2.462 16.475 579 H CYS 76 H CYS 76 1.819 1.656 13.626 580 HA CYS 76 HA CYS 76 1.264 0.183 11.349 581 HB2 CYS 76 1HB CYS 76 2.316 -0.818 14.030 582 HB3 CYS 76 2HB CYS 76 2.499 -1.641 12.491 583 H SER 77 H SER 77 -0.239 -0.368 14.560 584 HA SER 77 HA SER 77 -1.537 -2.837 13.842 585 HB2 SER 77 1HB SER 77 -0.990 -2.010 16.161 586 HB3 SER 77 2HB SER 77 -2.360 -0.891 16.019 587 HG SER 77 HG SER 77 -2.912 -2.898 17.060 588 H ASP 78 H ASP 78 -2.613 0.583 13.491 589 HA ASP 78 HA ASP 78 -5.362 -0.111 12.859 590 HB2 ASP 78 1HB ASP 78 -3.701 2.390 12.400 591 HB3 ASP 78 2HB ASP 78 -5.382 2.235 11.913 592 H LEU 79 H LEU 79 -2.439 -0.386 11.067 593 HA LEU 79 HA LEU 79 -3.662 -0.251 8.409 594 HB2 LEU 79 1HB LEU 79 -0.998 -1.528 9.095 595 HB3 LEU 79 2HB LEU 79 -1.541 -0.847 7.570 596 HG LEU 79 HG LEU 79 -0.762 0.694 10.072 597 HD11 LEU 79 1HD1 LEU 79 1.113 -0.192 8.793 598 HD12 LEU 79 2HD1 LEU 79 0.437 0.451 7.284 599 HD13 LEU 79 3HD1 LEU 79 1.012 1.559 8.544 600 HD21 LEU 79 3HD2 LEU 79 -1.069 2.746 8.693 601 HD22 LEU 79 1HD2 LEU 79 -1.816 1.756 7.431 602 HD23 LEU 79 2HD2 LEU 79 -2.603 1.925 9.014 603 H LEU 80 H LEU 80 -3.630 -2.605 10.887 604 HA LEU 80 HA LEU 80 -3.886 -4.914 9.056 605 HB2 LEU 80 1HB LEU 80 -3.817 -4.846 12.085 606 HB3 LEU 80 2HB LEU 80 -3.706 -6.272 11.061 607 HG LEU 80 HG LEU 80 -1.630 -4.060 11.270 608 HD11 LEU 80 1HD1 LEU 80 -1.778 -5.529 13.248 609 HD12 LEU 80 2HD1 LEU 80 -1.642 -6.966 12.210 610 HD13 LEU 80 3HD1 LEU 80 -0.280 -5.844 12.363 611 HD21 LEU 80 3HD2 LEU 80 -0.179 -5.551 9.902 612 HD22 LEU 80 1HD2 LEU 80 -1.571 -6.618 9.613 613 HD23 LEU 80 2HD2 LEU 80 -1.569 -4.947 9.000 614 H THR 81 H THR 81 -6.020 -2.685 9.905 615 HA THR 81 HA THR 81 -8.219 -4.290 10.980 616 HB THR 81 HB THR 81 -9.530 -2.223 10.821 617 HG1 THR 81 1HG THR 81 -7.191 -0.916 9.941 618 HG21 THR 81 3HG2 THR 81 -8.242 -0.846 12.391 619 HG22 THR 81 1HG2 THR 81 -8.172 -2.562 12.825 620 HG23 THR 81 2HG2 THR 81 -6.776 -1.790 12.051 621 H ASP 82 H ASP 82 -10.440 -3.758 9.826 622 HA ASP 82 HA ASP 82 -10.307 -5.241 7.292 623 HB2 ASP 82 1HB ASP 82 -12.708 -4.358 8.929 624 HB3 ASP 82 2HB ASP 82 -12.700 -5.531 7.611 625 H ASP 83 H ASP 83 -9.665 -2.280 7.605 626 HA ASP 83 HA ASP 83 -10.961 -1.324 5.124 627 HB2 ASP 83 1HB ASP 83 -12.440 -0.246 6.562 628 HB3 ASP 83 2HB ASP 83 -11.235 -0.052 7.835 629 H ILE 84 H ILE 84 -9.464 -0.650 3.822 630 HA ILE 84 HA ILE 84 -6.698 -0.679 4.643 631 HB ILE 84 HB ILE 84 -6.168 -0.610 2.329 632 HG12 ILE 84 1HG1 ILE 84 -9.018 0.290 1.721 633 HG13 ILE 84 2HG1 ILE 84 -7.595 1.325 1.704 634 HG21 ILE 84 1HG2 ILE 84 -7.361 -2.673 3.185 635 HG22 ILE 84 2HG2 ILE 84 -8.842 -2.072 2.437 636 HG23 ILE 84 3HG2 ILE 84 -7.440 -2.470 1.437 637 HD11 ILE 84 3HD1 ILE 84 -8.141 0.759 -0.543 638 HD12 ILE 84 1HD1 ILE 84 -6.594 -0.008 -0.108 639 HD13 ILE 84 2HD1 ILE 84 -8.091 -0.978 -0.194 640 H THR 85 H THR 85 -8.865 1.976 4.575 641 HA THR 85 HA THR 85 -7.268 3.855 3.240 642 HB THR 85 HB THR 85 -9.774 3.881 3.899 643 HG1 THR 85 1HG THR 85 -9.728 5.822 3.021 644 HG21 THR 85 3HG2 THR 85 -10.376 5.513 5.548 645 HG22 THR 85 1HG2 THR 85 -9.393 4.275 6.346 646 HG23 THR 85 2HG2 THR 85 -8.675 5.851 5.941 647 H LYS 86 H LYS 86 -6.886 2.942 6.612 648 HA LYS 86 HA LYS 86 -5.225 5.227 7.294 649 HB2 LYS 86 1HB LYS 86 -5.330 2.406 8.458 650 HB3 LYS 86 2HB LYS 86 -4.294 3.683 9.050 651 HG2 LYS 86 1HG LYS 86 -6.056 3.847 10.502 652 HG3 LYS 86 2HG LYS 86 -6.355 5.148 9.372 653 HD2 LYS 86 1HD LYS 86 -8.407 3.977 10.012 654 HD3 LYS 86 2HD LYS 86 -8.125 3.824 8.279 655 HE2 LYS 86 1HE LYS 86 -7.226 1.539 8.599 656 HE3 LYS 86 2HE LYS 86 -7.360 1.707 10.350 657 HZ1 LYS 86 3HZ LYS 86 -9.178 0.463 9.337 658 HZ2 LYS 86 1HZ LYS 86 -9.747 1.791 10.121 659 HZ3 LYS 86 2HZ LYS 86 -9.669 1.783 8.481 660 H ALA 87 H ALA 87 -4.577 2.244 5.538 661 HA ALA 87 HA ALA 87 -1.664 2.783 5.394 662 HB1 ALA 87 1HB ALA 87 -2.664 0.444 5.661 663 HB2 ALA 87 2HB ALA 87 -3.305 0.607 4.013 664 HB3 ALA 87 3HB ALA 87 -1.548 0.646 4.306 665 H ALA 88 H ALA 88 -4.570 2.861 3.319 666 HA ALA 88 HA ALA 88 -3.199 3.498 0.918 667 HB1 ALA 88 1HB ALA 88 -5.569 2.524 1.331 668 HB2 ALA 88 2HB ALA 88 -6.088 4.227 1.478 669 HB3 ALA 88 3HB ALA 88 -5.346 3.627 -0.014 670 H LYS 89 H LYS 89 -4.726 5.743 3.306 671 HA LYS 89 HA LYS 89 -4.069 8.149 1.841 672 HB2 LYS 89 1HB LYS 89 -4.565 7.580 4.785 673 HB3 LYS 89 2HB LYS 89 -4.336 9.205 4.125 674 HG2 LYS 89 1HG LYS 89 -6.299 8.985 2.694 675 HG3 LYS 89 2HG LYS 89 -6.550 7.310 3.214 676 HD2 LYS 89 1HD LYS 89 -6.834 8.085 5.562 677 HD3 LYS 89 2HD LYS 89 -6.662 9.763 5.036 678 HE2 LYS 89 1HE LYS 89 -8.828 7.817 4.113 679 HE3 LYS 89 2HE LYS 89 -9.033 9.018 5.389 680 HZ1 LYS 89 3HZ LYS 89 -9.890 9.847 3.301 681 HZ2 LYS 89 1HZ LYS 89 -8.606 10.756 3.736 682 HZ3 LYS 89 2HZ LYS 89 -8.457 9.640 2.546 683 H CYS 90 H CYS 90 -2.235 6.188 4.156 684 HA CYS 90 HA CYS 90 0.055 7.969 4.390 685 HB2 CYS 90 1HB CYS 90 -0.421 6.270 6.045 686 HB3 CYS 90 2HB CYS 90 -0.332 4.985 4.844 687 H ALA 91 H ALA 91 -0.750 5.234 2.210 688 HA ALA 91 HA ALA 91 1.614 5.267 0.665 689 HB1 ALA 91 1HB ALA 91 -0.114 3.482 0.690 690 HB2 ALA 91 2HB ALA 91 -1.213 4.548 -0.197 691 HB3 ALA 91 3HB ALA 91 0.296 4.015 -0.955 692 H LYS 92 H LYS 92 -1.355 7.357 0.243 693 HA LYS 92 HA LYS 92 -0.339 8.653 -2.092 694 HB2 LYS 92 1HB LYS 92 -2.030 10.017 0.014 695 HB3 LYS 92 2HB LYS 92 -1.897 10.392 -1.705 696 HG2 LYS 92 1HG LYS 92 -3.325 8.107 -0.372 697 HG3 LYS 92 2HG LYS 92 -4.005 9.383 -1.330 698 HD2 LYS 92 1HD LYS 92 -2.296 7.074 -2.339 699 HD3 LYS 92 2HD LYS 92 -4.037 7.258 -2.503 700 HE2 LYS 92 1HE LYS 92 -3.916 8.944 -4.104 701 HE3 LYS 92 2HE LYS 92 -2.242 9.371 -3.690 702 HZ1 LYS 92 3HZ LYS 92 -2.345 8.119 -5.749 703 HZ2 LYS 92 1HZ LYS 92 -1.551 7.235 -4.618 704 HZ3 LYS 92 2HZ LYS 92 -3.092 6.854 -5.004 705 H LYS 93 H LYS 93 0.156 9.505 1.379 706 HA LYS 93 HA LYS 93 1.776 11.808 0.731 707 HB2 LYS 93 1HB LYS 93 0.537 11.430 2.899 708 HB3 LYS 93 2HB LYS 93 1.815 10.293 3.364 709 HG2 LYS 93 1HG LYS 93 3.507 12.092 3.150 710 HG3 LYS 93 2HG LYS 93 2.275 13.196 2.521 711 HD2 LYS 93 1HD LYS 93 1.095 13.038 4.740 712 HD3 LYS 93 2HD LYS 93 2.470 12.065 5.336 713 HE2 LYS 93 1HE LYS 93 4.030 13.891 4.787 714 HE3 LYS 93 2HE LYS 93 2.715 14.858 4.105 715 HZ1 LYS 93 3HZ LYS 93 3.277 15.519 6.379 716 HZ2 LYS 93 1HZ LYS 93 1.732 14.979 6.314 717 HZ3 LYS 93 2HZ LYS 93 2.911 14.027 6.942 718 H ILE 94 H ILE 94 2.591 8.408 0.954 719 HA ILE 94 HA ILE 94 5.483 8.877 0.696 720 HB ILE 94 HB ILE 94 3.797 6.426 0.040 721 HG12 ILE 94 1HG1 ILE 94 5.683 6.901 2.378 722 HG13 ILE 94 2HG1 ILE 94 3.966 7.188 2.510 723 HG21 ILE 94 1HG2 ILE 94 5.832 6.440 -1.299 724 HG22 ILE 94 2HG2 ILE 94 6.803 6.937 0.097 725 HG23 ILE 94 3HG2 ILE 94 6.079 5.306 0.029 726 HD11 ILE 94 3HD1 ILE 94 4.412 5.018 3.423 727 HD12 ILE 94 1HD1 ILE 94 3.518 4.795 1.912 728 HD13 ILE 94 2HD1 ILE 94 5.272 4.497 1.967 729 H TYR 95 H TYR 95 2.859 8.148 -1.670 730 HA TYR 95 HA TYR 95 4.432 8.215 -3.967 731 HB2 TYR 95 1HB TYR 95 2.446 7.352 -4.428 732 HB3 TYR 95 2HB TYR 95 1.566 8.374 -3.309 733 HD1 TYR 95 2HD TYR 95 1.012 10.791 -3.979 734 HD2 TYR 95 1HD TYR 95 2.213 7.730 -6.765 735 HE1 TYR 95 2HE TYR 95 0.009 12.094 -5.837 736 HE2 TYR 95 1HE TYR 95 1.243 9.046 -8.634 737 HH TYR 95 HH TYR 95 -0.390 12.199 -8.106 738 H LYS 96 H LYS 96 3.198 10.976 -2.202 739 HA LYS 96 HA LYS 96 3.803 13.114 -3.972 740 HB2 LYS 96 1HB LYS 96 3.832 12.696 -0.968 741 HB3 LYS 96 2HB LYS 96 4.307 14.255 -1.656 742 HG2 LYS 96 1HG LYS 96 2.124 14.372 -2.889 743 HG3 LYS 96 2HG LYS 96 1.604 12.901 -2.056 744 HD2 LYS 96 1HD LYS 96 1.884 14.075 0.138 745 HD3 LYS 96 2HD LYS 96 2.387 15.539 -0.732 746 HE2 LYS 96 1HE LYS 96 0.196 15.545 -1.943 747 HE3 LYS 96 2HE LYS 96 -0.312 14.130 -1.016 748 HZ1 LYS 96 3HZ LYS 96 -1.149 16.188 -0.043 749 HZ2 LYS 96 1HZ LYS 96 -0.121 15.479 1.008 750 HZ3 LYS 96 2HZ LYS 96 0.359 16.784 0.142 751 H ARG 97 H ARG 97 6.028 11.050 -2.229 752 HA ARG 97 HA ARG 97 8.394 12.747 -2.951 753 HB2 ARG 97 1HB ARG 97 8.065 10.700 -0.784 754 HB3 ARG 97 2HB ARG 97 9.557 11.552 -1.223 755 HG2 ARG 97 1HG ARG 97 8.287 13.763 -0.854 756 HG3 ARG 97 2HG ARG 97 6.976 12.781 -0.147 757 HD2 ARG 97 1HD ARG 97 8.747 11.720 1.298 758 HD3 ARG 97 2HD ARG 97 9.877 12.943 0.741 759 HE ARG 97 HE ARG 97 8.863 14.566 2.039 760 HH11 ARG 97 1HH1 ARG 97 6.637 11.797 2.117 761 HH12 ARG 97 2HH1 ARG 97 6.058 12.228 3.712 762 HH21 ARG 97 1HH2 ARG 97 7.932 15.110 4.000 763 HH22 ARG 97 2HH2 ARG 97 6.730 14.074 4.721 764 H HIS 98 H HIS 98 7.015 9.504 -3.080 765 HA HIS 98 HA HIS 98 8.931 8.543 -5.159 766 HB2 HIS 98 1HB HIS 98 8.294 7.282 -2.454 767 HB3 HIS 98 2HB HIS 98 9.120 6.444 -3.757 768 HD2 HIS 98 2HD HIS 98 9.784 8.590 -0.794 769 HE1 HIS 98 1HE HIS 98 13.424 8.640 -3.000 770 HE2 HIS 98 2HE HIS 98 12.338 9.227 -0.772 771 H ARG 99 H ARG 99 7.003 8.870 -6.529 772 HA ARG 99 HA ARG 99 4.476 8.083 -6.047 773 HB2 ARG 99 1HB ARG 99 3.957 8.089 -8.365 774 HB3 ARG 99 2HB ARG 99 4.966 9.444 -7.923 775 HG2 ARG 99 1HG ARG 99 6.094 6.948 -9.277 776 HG3 ARG 99 2HG ARG 99 5.326 8.259 -10.162 777 HD2 ARG 99 1HD ARG 99 6.995 9.848 -9.041 778 HD3 ARG 99 2HD ARG 99 7.899 8.412 -8.559 779 HE ARG 99 HE ARG 99 7.507 9.516 -11.269 780 HH11 ARG 99 1HH1 ARG 99 8.915 6.816 -9.429 781 HH12 ARG 99 2HH1 ARG 99 9.704 6.184 -10.833 782 HH21 ARG 99 1HH2 ARG 99 8.615 8.664 -13.005 783 HH22 ARG 99 2HH2 ARG 99 9.561 7.219 -12.815 784 H PHE 100 H PHE 100 6.840 5.802 -7.393 785 HA PHE 100 HA PHE 100 5.194 3.608 -6.229 786 HB2 PHE 100 1HB PHE 100 6.431 3.490 -8.997 787 HB3 PHE 100 2HB PHE 100 5.548 2.213 -8.163 788 HD1 PHE 100 1HD PHE 100 3.090 2.727 -7.446 789 HD2 PHE 100 2HD PHE 100 5.227 4.898 -10.496 790 HE1 PHE 100 1HE PHE 100 0.947 3.501 -8.389 791 HE2 PHE 100 2HE PHE 100 3.071 5.693 -11.432 792 HZ PHE 100 HZ PHE 100 0.926 4.990 -10.381 793 H ASP 101 H ASP 101 8.147 5.145 -6.389 794 HA ASP 101 HA ASP 101 9.996 3.029 -6.636 795 HB2 ASP 101 1HB ASP 101 10.450 5.780 -5.427 796 HB3 ASP 101 2HB ASP 101 11.629 4.753 -6.228 797 H ALA 102 H ALA 102 8.275 4.106 -3.834 798 HA ALA 102 HA ALA 102 10.217 3.284 -1.828 799 HB1 ALA 102 1HB ALA 102 8.581 5.081 -1.437 800 HB2 ALA 102 2HB ALA 102 7.243 3.925 -1.645 801 HB3 ALA 102 3HB ALA 102 8.356 3.766 -0.274 802 H TRP 103 H TRP 103 8.378 1.439 -3.898 803 HA TRP 103 HA TRP 103 8.192 -0.902 -2.036 804 HB2 TRP 103 1HB TRP 103 6.366 -0.045 -4.319 805 HB3 TRP 103 2HB TRP 103 6.217 -1.546 -3.417 806 HD1 TRP 103 HD TRP 103 5.496 -1.372 -0.835 807 HE1 TRP 103 1HE TRP 103 4.036 0.286 0.408 808 HE3 TRP 103 3HE TRP 103 5.780 2.541 -4.122 809 HZ2 TRP 103 2HZ TRP 103 2.992 2.975 -0.018 810 HZ3 TRP 103 3HZ TRP 103 4.540 4.641 -3.683 811 HH2 TRP 103 HH TRP 103 3.115 4.858 -1.657 812 H TYR 104 H TYR 104 8.535 -2.964 -2.886 813 HA TYR 104 HA TYR 104 10.745 -2.876 -4.852 814 HB2 TYR 104 1HB TYR 104 10.981 -3.861 -2.547 815 HB3 TYR 104 2HB TYR 104 9.864 -5.137 -3.027 816 HD1 TYR 104 2HD TYR 104 13.037 -3.435 -4.024 817 HD2 TYR 104 1HD TYR 104 10.738 -7.073 -4.131 818 HE1 TYR 104 2HE TYR 104 14.974 -4.619 -5.073 819 HE2 TYR 104 1HE TYR 104 12.668 -8.272 -5.166 820 HH TYR 104 HH TYR 104 15.771 -6.616 -5.895 821 H GLY 105 H GLY 105 7.615 -4.542 -4.394 822 HA2 GLY 105 1HA GLY 105 7.814 -6.331 -6.597 823 HA3 GLY 105 2HA GLY 105 6.301 -5.754 -5.852 824 H TRP 106 H TRP 106 6.859 -2.910 -6.541 825 HA TRP 106 HA TRP 106 5.744 -2.833 -9.163 826 HB2 TRP 106 1HB TRP 106 5.336 -1.093 -7.574 827 HB3 TRP 106 2HB TRP 106 7.040 -0.639 -7.554 828 HD1 TRP 106 HD TRP 106 3.953 -0.573 -9.848 829 HE1 TRP 106 1HE TRP 106 4.333 1.093 -11.766 830 HE3 TRP 106 3HE TRP 106 8.820 0.657 -8.881 831 HZ2 TRP 106 2HZ TRP 106 6.486 2.765 -12.745 832 HZ3 TRP 106 3HZ TRP 106 10.030 2.250 -10.331 833 HH2 TRP 106 HH TRP 106 8.875 3.320 -12.267 834 H LYS 107 H LYS 107 9.121 -2.322 -8.069 835 HA LYS 107 HA LYS 107 10.011 -2.016 -10.876 836 HB2 LYS 107 1HB LYS 107 12.230 -1.541 -9.867 837 HB3 LYS 107 2HB LYS 107 10.941 -0.402 -9.509 838 HG2 LYS 107 1HG LYS 107 10.688 -1.260 -7.261 839 HG3 LYS 107 2HG LYS 107 11.862 -2.563 -7.572 840 HD2 LYS 107 1HD LYS 107 13.624 -0.883 -7.976 841 HD3 LYS 107 2HD LYS 107 12.483 0.435 -7.695 842 HE2 LYS 107 1HE LYS 107 13.144 -1.704 -5.621 843 HE3 LYS 107 2HE LYS 107 14.055 -0.200 -5.770 844 HZ1 LYS 107 3HZ LYS 107 12.298 -0.040 -4.094 845 HZ2 LYS 107 1HZ LYS 107 12.059 1.052 -5.272 846 HZ3 LYS 107 2HZ LYS 107 11.135 -0.295 -5.222 847 H ASN 108 H ASN 108 9.838 -4.611 -8.594 848 HA ASN 108 HA ASN 108 11.826 -6.212 -10.078 849 HB2 ASN 108 1HB ASN 108 11.756 -6.075 -7.581 850 HB3 ASN 108 2HB ASN 108 10.207 -6.927 -7.611 851 HD21 ASN 108 2HD2 ASN 108 13.634 -7.235 -8.769 852 HD22 ASN 108 1HD2 ASN 108 13.684 -8.975 -8.564 853 H HIS 109 H HIS 109 8.303 -5.994 -9.908 854 HA HIS 109 HA HIS 109 8.104 -8.307 -11.820 855 HB2 HIS 109 1HB HIS 109 6.235 -7.642 -9.513 856 HB3 HIS 109 2HB HIS 109 5.974 -8.888 -10.727 857 HD2 HIS 109 2HD HIS 109 7.412 -8.441 -7.356 858 HE1 HIS 109 1HE HIS 109 9.122 -12.076 -8.758 859 HE2 HIS 109 2HE HIS 109 8.768 -10.601 -6.713 860 H CYS 110 H CYS 110 6.353 -5.341 -10.698 861 HA CYS 110 HA CYS 110 4.410 -5.496 -12.771 862 HB2 CYS 110 1HB CYS 110 5.195 -2.989 -11.270 863 HB3 CYS 110 2HB CYS 110 3.658 -3.349 -12.028 864 H GLN 111 H GLN 111 7.630 -4.541 -13.210 865 HA GLN 111 HA GLN 111 7.222 -2.665 -15.414 866 HB2 GLN 111 1HB GLN 111 9.648 -4.395 -14.759 867 HB3 GLN 111 2HB GLN 111 9.613 -3.007 -15.840 868 HG2 GLN 111 1HG GLN 111 9.235 -2.968 -12.825 869 HG3 GLN 111 2HG GLN 111 10.640 -2.411 -13.711 870 HE21 GLN 111 2HE2 GLN 111 7.857 -1.306 -12.176 871 HE22 GLN 111 1HE2 GLN 111 7.780 0.258 -12.977 872 H GLY 112 H GLY 112 7.123 -6.175 -15.142 873 HA2 GLY 112 1HA GLY 112 7.712 -6.683 -17.968 874 HA3 GLY 112 2HA GLY 112 7.192 -7.857 -16.736 875 H SER 113 H SER 113 4.779 -6.483 -15.970 876 HA SER 113 HA SER 113 3.021 -5.990 -18.187 877 HB2 SER 113 1HB SER 113 3.378 -8.485 -18.446 878 HB3 SER 113 2HB SER 113 2.669 -8.694 -16.838 879 HG SER 113 HG SER 113 1.134 -8.927 -18.574 880 H LEU 114 H LEU 114 0.929 -5.358 -17.491 881 HA LEU 114 HA LEU 114 0.413 -5.247 -14.561 882 HB2 LEU 114 1HB LEU 114 -0.226 -3.257 -16.779 883 HB3 LEU 114 2HB LEU 114 -0.855 -3.139 -15.146 884 HG LEU 114 HG LEU 114 2.126 -3.074 -15.808 885 HD11 LEU 114 1HD1 LEU 114 0.937 -1.193 -16.827 886 HD12 LEU 114 2HD1 LEU 114 0.180 -0.803 -15.264 887 HD13 LEU 114 3HD1 LEU 114 1.940 -0.647 -15.470 888 HD21 LEU 114 3HD2 LEU 114 2.294 -2.079 -13.514 889 HD22 LEU 114 1HD2 LEU 114 0.570 -2.422 -13.259 890 HD23 LEU 114 2HD2 LEU 114 1.727 -3.753 -13.491 891 HA PRO 115 HA PRO 115 -3.380 -7.369 -15.631 892 HB2 PRO 115 1HB PRO 115 -4.929 -6.890 -13.471 893 HB3 PRO 115 2HB PRO 115 -3.420 -7.850 -13.345 894 HG2 PRO 115 1HG PRO 115 -3.801 -4.895 -12.735 895 HG3 PRO 115 2HG PRO 115 -3.035 -6.148 -11.700 896 HD2 PRO 115 1HD PRO 115 -1.576 -4.512 -13.338 897 HD3 PRO 115 2HD PRO 115 -1.110 -6.220 -13.047 898 H ASP 116 H ASP 116 -5.723 -6.991 -15.972 899 HA ASP 116 HA ASP 116 -6.285 -4.384 -17.168 900 HB2 ASP 116 1HB ASP 116 -7.065 -6.399 -18.285 901 HB3 ASP 116 2HB ASP 116 -7.959 -6.902 -16.842 902 H ILE 117 H ILE 117 -7.785 -2.942 -16.582 903 HA ILE 117 HA ILE 117 -9.364 -3.288 -14.067 904 HB ILE 117 HB ILE 117 -9.128 -0.907 -13.586 905 HG12 ILE 117 1HG1 ILE 117 -7.023 -0.848 -15.808 906 HG13 ILE 117 2HG1 ILE 117 -8.643 -0.170 -15.939 907 HG21 ILE 117 1HG2 ILE 117 -7.643 -2.605 -12.511 908 HG22 ILE 117 2HG2 ILE 117 -6.400 -2.269 -13.723 909 HG23 ILE 117 3HG2 ILE 117 -6.911 -1.000 -12.588 910 HD11 ILE 117 3HD1 ILE 117 -7.092 1.589 -15.476 911 HD12 ILE 117 1HD1 ILE 117 -8.162 1.376 -14.073 912 HD13 ILE 117 2HD1 ILE 117 -6.490 0.751 -14.036 913 H SER 118 H SER 118 -9.550 -2.789 -17.438 914 HA SER 118 HA SER 118 -11.795 -0.957 -17.476 915 HB2 SER 118 1HB SER 118 -10.854 -2.975 -19.543 916 HB3 SER 118 2HB SER 118 -12.053 -1.699 -19.807 917 HG SER 118 HG SER 118 -9.920 -1.083 -20.490 918 H SER 119 H SER 119 -11.547 -4.429 -16.923 919 HA SER 119 HA SER 119 -14.441 -4.880 -17.094 920 HB2 SER 119 1HB SER 119 -12.535 -6.553 -17.487 921 HB3 SER 119 2HB SER 119 -12.383 -6.630 -15.724 922 HG SER 119 HG SER 119 -13.776 -8.269 -16.604 923 H CYS 120 H CYS 120 -12.646 -3.131 -14.826 924 HA CYS 120 HA CYS 120 -14.281 -3.980 -12.481 925 HB2 CYS 120 1HB CYS 120 -11.684 -2.431 -12.614 926 HB3 CYS 120 2HB CYS 120 -12.519 -2.948 -11.154 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -9.395 -7.501 10.223 2 H2 GLY 1 2H GLY 1 -8.184 -8.592 10.451 3 H3 GLY 1 3H GLY 1 -7.911 -6.993 10.735 4 HA2 GLY 1 1HA GLY 1 -8.269 -6.466 8.431 5 HA3 GLY 1 2HA GLY 1 -6.907 -7.572 8.657 6 H LYS 2 H LYS 2 -7.949 -7.443 6.230 7 HA LYS 2 HA LYS 2 -9.297 -10.000 5.706 8 HB2 LYS 2 1HB LYS 2 -11.194 -9.013 4.569 9 HB3 LYS 2 2HB LYS 2 -11.158 -8.430 6.232 10 HG2 LYS 2 1HG LYS 2 -10.155 -6.286 5.486 11 HG3 LYS 2 2HG LYS 2 -10.144 -6.853 3.815 12 HD2 LYS 2 1HD LYS 2 -12.658 -6.493 5.490 13 HD3 LYS 2 2HD LYS 2 -12.006 -5.301 4.354 14 HE2 LYS 2 1HE LYS 2 -12.208 -6.935 2.495 15 HE3 LYS 2 2HE LYS 2 -12.911 -8.117 3.609 16 HZ1 LYS 2 3HZ LYS 2 -14.628 -6.912 2.400 17 HZ2 LYS 2 1HZ LYS 2 -14.746 -6.567 3.992 18 HZ3 LYS 2 2HZ LYS 2 -14.096 -5.474 2.962 19 H THR 3 H THR 3 -9.532 -10.435 3.380 20 HA THR 3 HA THR 3 -7.349 -9.190 1.775 21 HB THR 3 HB THR 3 -8.458 -11.976 1.368 22 HG1 THR 3 1HG THR 3 -6.690 -12.657 2.576 23 HG21 THR 3 3HG2 THR 3 -6.213 -12.257 0.260 24 HG22 THR 3 1HG2 THR 3 -7.207 -11.032 -0.542 25 HG23 THR 3 2HG2 THR 3 -5.890 -10.530 0.539 26 H PHE 4 H PHE 4 -7.778 -8.273 -0.072 27 HA PHE 4 HA PHE 4 -10.558 -8.175 -1.106 28 HB2 PHE 4 1HB PHE 4 -8.074 -6.486 -1.660 29 HB3 PHE 4 2HB PHE 4 -9.586 -6.257 -2.476 30 HD1 PHE 4 1HD PHE 4 -8.143 -6.229 1.036 31 HD2 PHE 4 2HD PHE 4 -11.268 -4.847 -1.617 32 HE1 PHE 4 1HE PHE 4 -9.091 -4.856 2.848 33 HE2 PHE 4 2HE PHE 4 -12.204 -3.482 0.212 34 HZ PHE 4 HZ PHE 4 -11.135 -3.494 2.459 35 H THR 5 H THR 5 -10.926 -8.229 -3.380 36 HA THR 5 HA THR 5 -9.048 -9.876 -5.039 37 HB THR 5 HB THR 5 -11.284 -10.890 -4.750 38 HG1 THR 5 1HG THR 5 -11.462 -11.257 -6.959 39 HG21 THR 5 3HG2 THR 5 -13.239 -9.954 -5.853 40 HG22 THR 5 1HG2 THR 5 -12.681 -8.793 -4.643 41 HG23 THR 5 2HG2 THR 5 -12.336 -8.520 -6.367 42 H ARG 6 H ARG 6 -8.928 -9.086 -7.357 43 HA ARG 6 HA ARG 6 -7.962 -6.427 -7.287 44 HB2 ARG 6 1HB ARG 6 -7.292 -8.253 -8.866 45 HB3 ARG 6 2HB ARG 6 -8.763 -7.948 -9.797 46 HG2 ARG 6 1HG ARG 6 -8.034 -5.610 -10.204 47 HG3 ARG 6 2HG ARG 6 -6.599 -5.864 -9.200 48 HD2 ARG 6 1HD ARG 6 -7.253 -7.322 -11.790 49 HD3 ARG 6 2HD ARG 6 -6.097 -5.996 -11.619 50 HE ARG 6 HE ARG 6 -4.984 -7.599 -9.855 51 HH11 ARG 6 1HH1 ARG 6 -6.487 -8.816 -12.834 52 HH12 ARG 6 2HH1 ARG 6 -5.456 -10.216 -12.864 53 HH21 ARG 6 1HH2 ARG 6 -3.588 -9.246 -10.075 54 HH22 ARG 6 2HH2 ARG 6 -3.834 -10.477 -11.298 55 H CYS 7 H CYS 7 -11.075 -7.614 -8.616 56 HA CYS 7 HA CYS 7 -12.094 -5.081 -9.463 57 HB2 CYS 7 1HB CYS 7 -13.624 -7.520 -8.488 58 HB3 CYS 7 2HB CYS 7 -14.274 -6.194 -9.450 59 H GLY 8 H GLY 8 -11.922 -6.439 -6.232 60 HA2 GLY 8 1HA GLY 8 -13.725 -4.455 -5.005 61 HA3 GLY 8 2HA GLY 8 -12.679 -5.638 -4.173 62 H LEU 9 H LEU 9 -10.169 -5.090 -5.066 63 HA LEU 9 HA LEU 9 -9.400 -2.773 -3.632 64 HB2 LEU 9 1HB LEU 9 -8.017 -4.819 -4.028 65 HB3 LEU 9 2HB LEU 9 -7.876 -4.379 -5.734 66 HG LEU 9 HG LEU 9 -6.763 -2.252 -5.064 67 HD11 LEU 9 1HD1 LEU 9 -7.622 -1.890 -2.825 68 HD12 LEU 9 2HD1 LEU 9 -6.954 -3.436 -2.269 69 HD13 LEU 9 3HD1 LEU 9 -5.872 -2.086 -2.705 70 HD21 LEU 9 3HD2 LEU 9 -4.620 -3.183 -4.586 71 HD22 LEU 9 1HD2 LEU 9 -5.336 -4.647 -3.879 72 HD23 LEU 9 2HD2 LEU 9 -5.469 -4.333 -5.628 73 H VAL 10 H VAL 10 -9.626 -3.202 -7.213 74 HA VAL 10 HA VAL 10 -8.765 -0.626 -7.985 75 HB VAL 10 HB VAL 10 -10.890 -2.445 -9.180 76 HG11 VAL 10 1HG1 VAL 10 -11.574 -0.325 -10.020 77 HG12 VAL 10 2HG1 VAL 10 -9.912 0.229 -10.235 78 HG13 VAL 10 3HG1 VAL 10 -10.577 -1.021 -11.299 79 HG21 VAL 10 3HG2 VAL 10 -9.185 -2.899 -10.873 80 HG22 VAL 10 1HG2 VAL 10 -8.084 -1.721 -10.134 81 HG23 VAL 10 2HG2 VAL 10 -8.507 -3.210 -9.276 82 H HIS 11 H HIS 11 -12.002 -1.630 -6.897 83 HA HIS 11 HA HIS 11 -13.249 0.989 -7.149 84 HB2 HIS 11 1HB HIS 11 -14.025 -1.553 -5.674 85 HB3 HIS 11 2HB HIS 11 -14.999 -0.100 -5.670 86 HD2 HIS 11 2HD HIS 11 -13.552 -0.534 -9.112 87 HE1 HIS 11 1HE HIS 11 -17.420 -2.302 -9.259 88 HE2 HIS 11 2HE HIS 11 -15.468 -1.485 -10.661 89 H GLU 12 H GLU 12 -11.860 -0.797 -4.391 90 HA GLU 12 HA GLU 12 -12.500 1.049 -2.335 91 HB2 GLU 12 1HB GLU 12 -11.480 -1.430 -2.383 92 HB3 GLU 12 2HB GLU 12 -9.957 -0.578 -2.283 93 HG2 GLU 12 1HG GLU 12 -10.749 -1.283 -0.100 94 HG3 GLU 12 2HG GLU 12 -10.693 0.488 -0.196 95 H LEU 13 H LEU 13 -9.613 0.870 -4.438 96 HA LEU 13 HA LEU 13 -8.338 3.213 -3.282 97 HB2 LEU 13 1HB LEU 13 -7.948 1.778 -5.920 98 HB3 LEU 13 2HB LEU 13 -6.822 2.945 -5.238 99 HG LEU 13 HG LEU 13 -7.527 0.305 -3.950 100 HD11 LEU 13 1HD1 LEU 13 -6.334 -0.004 -6.049 101 HD12 LEU 13 2HD1 LEU 13 -5.106 1.192 -5.558 102 HD13 LEU 13 3HD1 LEU 13 -5.241 -0.356 -4.691 103 HD21 LEU 13 3HD2 LEU 13 -5.594 0.706 -2.508 104 HD22 LEU 13 1HD2 LEU 13 -5.360 2.316 -3.247 105 HD23 LEU 13 2HD2 LEU 13 -6.813 1.964 -2.283 106 H ARG 14 H ARG 14 -10.321 2.713 -6.224 107 HA ARG 14 HA ARG 14 -10.269 5.392 -7.206 108 HB2 ARG 14 1HB ARG 14 -12.396 3.239 -7.293 109 HB3 ARG 14 2HB ARG 14 -12.702 4.840 -7.961 110 HG2 ARG 14 1HG ARG 14 -10.957 4.649 -9.582 111 HG3 ARG 14 2HG ARG 14 -10.333 3.165 -8.841 112 HD2 ARG 14 1HD ARG 14 -12.385 1.968 -9.355 113 HD3 ARG 14 2HD ARG 14 -13.116 3.441 -10.038 114 HE ARG 14 HE ARG 14 -10.715 2.961 -11.429 115 HH11 ARG 14 1HH1 ARG 14 -13.895 1.424 -11.094 116 HH12 ARG 14 2HH1 ARG 14 -13.709 0.526 -12.589 117 HH21 ARG 14 1HH2 ARG 14 -10.628 1.794 -13.418 118 HH22 ARG 14 2HH2 ARG 14 -11.967 0.757 -13.841 119 H LYS 15 H LYS 15 -12.395 3.978 -4.664 120 HA LYS 15 HA LYS 15 -13.810 6.373 -4.005 121 HB2 LYS 15 1HB LYS 15 -14.527 4.031 -3.624 122 HB3 LYS 15 2HB LYS 15 -13.175 3.798 -2.512 123 HG2 LYS 15 1HG LYS 15 -14.135 5.528 -1.013 124 HG3 LYS 15 2HG LYS 15 -15.472 5.748 -2.157 125 HD2 LYS 15 1HD LYS 15 -16.195 4.325 -0.304 126 HD3 LYS 15 2HD LYS 15 -16.146 3.369 -1.797 127 HE2 LYS 15 1HE LYS 15 -13.905 2.484 -1.143 128 HE3 LYS 15 2HE LYS 15 -13.950 3.461 0.324 129 HZ1 LYS 15 3HZ LYS 15 -14.568 1.159 0.698 130 HZ2 LYS 15 1HZ LYS 15 -15.836 2.141 1.075 131 HZ3 LYS 15 2HZ LYS 15 -15.844 1.270 -0.320 132 H HIS 16 H HIS 16 -10.815 4.904 -2.682 133 HA HIS 16 HA HIS 16 -10.498 6.937 -0.642 134 HB2 HIS 16 1HB HIS 16 -8.742 4.637 -1.579 135 HB3 HIS 16 2HB HIS 16 -8.353 5.694 -0.225 136 HD2 HIS 16 2HD HIS 16 -8.429 3.060 0.850 137 HE1 HIS 16 1HE HIS 16 -12.531 3.361 1.838 138 HE2 HIS 16 2HE HIS 16 -10.417 2.106 2.323 139 H GLY 17 H GLY 17 -9.885 7.265 -3.895 140 HA2 GLY 17 1HA GLY 17 -9.228 9.353 -4.781 141 HA3 GLY 17 2HA GLY 17 -8.250 9.694 -3.338 142 H PHE 18 H PHE 18 -8.149 6.800 -5.457 143 HA PHE 18 HA PHE 18 -5.358 7.483 -6.291 144 HB2 PHE 18 1HB PHE 18 -6.882 4.888 -6.162 145 HB3 PHE 18 2HB PHE 18 -5.316 5.055 -6.927 146 HD1 PHE 18 2HD PHE 18 -6.930 5.816 -3.560 147 HD2 PHE 18 1HD PHE 18 -3.447 4.464 -5.698 148 HE1 PHE 18 2HE PHE 18 -5.772 5.475 -1.440 149 HE2 PHE 18 1HE PHE 18 -2.293 4.041 -3.545 150 HZ PHE 18 HZ PHE 18 -3.446 4.539 -1.405 151 H GLU 19 H GLU 19 -4.871 7.629 -8.477 152 HA GLU 19 HA GLU 19 -7.072 8.444 -10.167 153 HB2 GLU 19 1HB GLU 19 -4.134 8.139 -10.872 154 HB3 GLU 19 2HB GLU 19 -5.356 9.023 -11.788 155 HG2 GLU 19 1HG GLU 19 -4.312 9.742 -9.024 156 HG3 GLU 19 2HG GLU 19 -3.903 10.527 -10.542 157 H GLU 20 H GLU 20 -7.996 7.462 -11.909 158 HA GLU 20 HA GLU 20 -7.915 4.665 -12.147 159 HB2 GLU 20 1HB GLU 20 -9.385 4.913 -14.044 160 HB3 GLU 20 2HB GLU 20 -9.844 6.016 -12.750 161 HG2 GLU 20 1HG GLU 20 -8.710 7.891 -13.977 162 HG3 GLU 20 2HG GLU 20 -8.317 6.772 -15.284 163 H ASN 21 H ASN 21 -5.880 7.014 -13.833 164 HA ASN 21 HA ASN 21 -4.921 5.049 -15.783 165 HB2 ASN 21 1HB ASN 21 -3.600 6.776 -16.666 166 HB3 ASN 21 2HB ASN 21 -5.166 7.489 -16.307 167 HD21 ASN 21 2HD2 ASN 21 -2.227 8.562 -16.488 168 HD22 ASN 21 1HD2 ASN 21 -2.086 9.506 -15.016 169 H LEU 22 H LEU 22 -4.125 5.836 -12.517 170 HA LEU 22 HA LEU 22 -1.457 4.481 -12.692 171 HB2 LEU 22 1HB LEU 22 -2.789 5.964 -10.391 172 HB3 LEU 22 2HB LEU 22 -1.164 5.288 -10.395 173 HG LEU 22 HG LEU 22 -2.162 7.638 -12.034 174 HD11 LEU 22 1HD1 LEU 22 -1.767 8.091 -9.640 175 HD12 LEU 22 2HD1 LEU 22 -0.114 7.450 -9.786 176 HD13 LEU 22 3HD1 LEU 22 -0.583 8.927 -10.657 177 HD21 LEU 22 3HD2 LEU 22 0.189 7.935 -12.783 178 HD22 LEU 22 1HD2 LEU 22 0.615 6.376 -12.048 179 HD23 LEU 22 2HD2 LEU 22 -0.521 6.448 -13.414 180 H MET 23 H MET 23 -4.732 3.853 -11.888 181 HA MET 23 HA MET 23 -4.690 2.177 -9.751 182 HB2 MET 23 1HB MET 23 -6.610 3.046 -11.200 183 HB3 MET 23 2HB MET 23 -6.369 1.659 -12.230 184 HG2 MET 23 1HG MET 23 -8.185 1.302 -10.593 185 HG3 MET 23 2HG MET 23 -6.884 0.146 -10.335 186 HE1 MET 23 3HE MET 23 -7.929 3.809 -7.761 187 HE2 MET 23 1HE MET 23 -6.655 4.023 -8.986 188 HE3 MET 23 2HE MET 23 -8.292 3.547 -9.474 189 H ARG 24 H ARG 24 -3.997 1.036 -13.105 190 HA ARG 24 HA ARG 24 -3.548 -1.688 -12.563 191 HB2 ARG 24 1HB ARG 24 -2.049 0.089 -14.539 192 HB3 ARG 24 2HB ARG 24 -2.087 -1.680 -14.537 193 HG2 ARG 24 1HG ARG 24 -4.583 -1.577 -14.835 194 HG3 ARG 24 2HG ARG 24 -4.448 0.186 -14.989 195 HD2 ARG 24 1HD ARG 24 -4.542 -0.649 -17.199 196 HD3 ARG 24 2HD ARG 24 -2.852 -0.187 -16.922 197 HE ARG 24 HE ARG 24 -3.324 -2.964 -16.255 198 HH11 ARG 24 1HH1 ARG 24 -2.889 -0.925 -19.120 199 HH12 ARG 24 2HH1 ARG 24 -2.385 -2.268 -20.101 200 HH21 ARG 24 1HH2 ARG 24 -2.671 -4.628 -17.558 201 HH22 ARG 24 2HH2 ARG 24 -2.255 -4.343 -19.221 202 H ASN 25 H ASN 25 -1.141 0.990 -12.401 203 HA ASN 25 HA ASN 25 1.080 -0.596 -11.545 204 HB2 ASN 25 1HB ASN 25 0.472 2.361 -11.047 205 HB3 ASN 25 2HB ASN 25 1.985 1.561 -10.679 206 HD21 ASN 25 2HD2 ASN 25 3.087 3.073 -12.049 207 HD22 ASN 25 1HD2 ASN 25 3.034 2.855 -13.793 208 H TRP 26 H TRP 26 -1.390 1.250 -9.684 209 HA TRP 26 HA TRP 26 -0.307 0.671 -7.115 210 HB2 TRP 26 1HB TRP 26 -3.016 1.605 -8.099 211 HB3 TRP 26 2HB TRP 26 -2.713 1.282 -6.400 212 HD1 TRP 26 HD TRP 26 -2.593 4.067 -8.723 213 HE1 TRP 26 1HE TRP 26 -1.369 6.066 -7.694 214 HE3 TRP 26 3HE TRP 26 -0.179 1.655 -4.908 215 HZ2 TRP 26 2HZ TRP 26 0.257 6.597 -5.345 216 HZ3 TRP 26 3HZ TRP 26 1.190 2.927 -3.284 217 HH2 TRP 26 HH TRP 26 1.395 5.396 -3.472 218 H VAL 27 H VAL 27 -3.054 -1.002 -8.822 219 HA VAL 27 HA VAL 27 -3.333 -2.875 -6.655 220 HB VAL 27 HB VAL 27 -4.693 -4.277 -7.968 221 HG11 VAL 27 1HG1 VAL 27 -5.587 -2.089 -7.170 222 HG12 VAL 27 2HG1 VAL 27 -5.320 -1.429 -8.794 223 HG13 VAL 27 3HG1 VAL 27 -6.441 -2.777 -8.558 224 HG21 VAL 27 3HG2 VAL 27 -5.141 -3.914 -10.384 225 HG22 VAL 27 1HG2 VAL 27 -3.773 -2.783 -10.443 226 HG23 VAL 27 2HG2 VAL 27 -3.508 -4.496 -10.049 227 H CYS 28 H CYS 28 -1.254 -2.977 -9.564 228 HA CYS 28 HA CYS 28 -0.364 -5.679 -9.123 229 HB2 CYS 28 1HB CYS 28 -0.315 -4.355 -11.221 230 HB3 CYS 28 2HB CYS 28 1.036 -3.418 -10.615 231 H LEU 29 H LEU 29 1.046 -2.527 -8.152 232 HA LEU 29 HA LEU 29 3.244 -3.430 -6.616 233 HB2 LEU 29 1HB LEU 29 2.799 -1.137 -7.278 234 HB3 LEU 29 2HB LEU 29 1.355 -1.050 -6.295 235 HG LEU 29 HG LEU 29 4.158 -1.375 -5.150 236 HD11 LEU 29 1HD1 LEU 29 3.901 0.734 -6.442 237 HD12 LEU 29 2HD1 LEU 29 2.429 1.120 -5.527 238 HD13 LEU 29 3HD1 LEU 29 4.002 1.056 -4.715 239 HD21 LEU 29 3HD2 LEU 29 3.055 -0.387 -3.079 240 HD22 LEU 29 1HD2 LEU 29 1.483 -0.622 -3.861 241 HD23 LEU 29 2HD2 LEU 29 2.513 -2.013 -3.448 242 H VAL 30 H VAL 30 -0.106 -2.756 -5.479 243 HA VAL 30 HA VAL 30 0.291 -3.673 -2.833 244 HB VAL 30 HB VAL 30 -2.184 -3.392 -4.550 245 HG11 VAL 30 1HG1 VAL 30 -2.816 -5.131 -2.976 246 HG12 VAL 30 2HG1 VAL 30 -2.105 -4.219 -1.628 247 HG13 VAL 30 3HG1 VAL 30 -3.546 -3.614 -2.482 248 HG21 VAL 30 3HG2 VAL 30 -2.606 -1.449 -3.117 249 HG22 VAL 30 1HG2 VAL 30 -1.202 -1.851 -2.103 250 HG23 VAL 30 2HG2 VAL 30 -0.969 -1.328 -3.778 251 H GLU 31 H GLU 31 -0.868 -5.562 -5.681 252 HA GLU 31 HA GLU 31 -1.334 -7.984 -4.239 253 HB2 GLU 31 1HB GLU 31 -0.698 -7.378 -7.149 254 HB3 GLU 31 2HB GLU 31 -0.913 -9.039 -6.568 255 HG2 GLU 31 1HG GLU 31 -3.146 -8.631 -5.842 256 HG3 GLU 31 2HG GLU 31 -3.024 -6.897 -6.121 257 H HIS 32 H HIS 32 1.666 -6.809 -5.837 258 HA HIS 32 HA HIS 32 3.106 -9.219 -5.054 259 HB2 HIS 32 1HB HIS 32 3.811 -6.630 -6.393 260 HB3 HIS 32 2HB HIS 32 5.043 -7.841 -5.978 261 HD2 HIS 32 2HD HIS 32 3.196 -6.877 -8.864 262 HE1 HIS 32 1HE HIS 32 3.375 -11.104 -9.320 263 HE2 HIS 32 2HE HIS 32 2.873 -8.908 -10.514 264 H GLU 33 H GLU 33 2.561 -6.146 -3.466 265 HA GLU 33 HA GLU 33 4.734 -6.556 -1.516 266 HB2 GLU 33 1HB GLU 33 2.502 -4.516 -1.759 267 HB3 GLU 33 2HB GLU 33 3.540 -4.599 -0.347 268 HG2 GLU 33 1HG GLU 33 4.509 -4.151 -3.198 269 HG3 GLU 33 2HG GLU 33 4.282 -2.905 -1.979 270 H SER 34 H SER 34 1.086 -6.530 -1.234 271 HA SER 34 HA SER 34 1.431 -8.103 1.297 272 HB2 SER 34 1HB SER 34 -0.734 -6.072 0.717 273 HB3 SER 34 2HB SER 34 -0.343 -6.852 2.260 274 HG SER 34 HG SER 34 0.999 -4.817 0.873 275 H SER 35 H SER 35 0.269 -8.557 -1.788 276 HA SER 35 HA SER 35 -1.204 -9.922 -2.774 277 HB2 SER 35 1HB SER 35 -1.867 -11.325 -0.204 278 HB3 SER 35 2HB SER 35 -1.799 -11.969 -1.842 279 HG SER 35 HG SER 35 0.515 -11.758 -1.739 280 H ARG 36 H ARG 36 -2.158 -7.448 -1.421 281 HA ARG 36 HA ARG 36 -4.013 -6.261 -1.004 282 HB2 ARG 36 1HB ARG 36 -5.941 -8.350 -1.932 283 HB3 ARG 36 2HB ARG 36 -5.962 -6.590 -2.098 284 HG2 ARG 36 1HG ARG 36 -4.156 -6.854 -3.873 285 HG3 ARG 36 2HG ARG 36 -4.392 -8.596 -3.736 286 HD2 ARG 36 1HD ARG 36 -6.998 -7.904 -3.980 287 HD3 ARG 36 2HD ARG 36 -6.318 -6.490 -4.745 288 HE ARG 36 HE ARG 36 -5.648 -7.751 -6.548 289 HH11 ARG 36 1HH1 ARG 36 -6.759 -10.060 -4.071 290 HH12 ARG 36 2HH1 ARG 36 -6.542 -11.407 -5.154 291 HH21 ARG 36 1HH2 ARG 36 -5.405 -9.438 -7.801 292 HH22 ARG 36 2HH2 ARG 36 -5.860 -11.064 -7.308 293 H ASP 37 H ASP 37 -3.014 -8.061 1.041 294 HA ASP 37 HA ASP 37 -5.471 -8.619 2.675 295 HB2 ASP 37 1HB ASP 37 -4.240 -10.658 2.221 296 HB3 ASP 37 2HB ASP 37 -2.739 -9.915 2.755 297 H THR 38 H THR 38 -5.836 -7.178 4.214 298 HA THR 38 HA THR 38 -3.866 -5.174 4.930 299 HB THR 38 HB THR 38 -5.414 -4.382 6.630 300 HG1 THR 38 1HG THR 38 -7.309 -5.318 6.964 301 HG21 THR 38 3HG2 THR 38 -7.348 -3.811 5.195 302 HG22 THR 38 1HG2 THR 38 -5.794 -3.553 4.401 303 HG23 THR 38 2HG2 THR 38 -6.795 -4.978 3.977 304 H SER 39 H SER 39 -4.639 -8.337 6.300 305 HA SER 39 HA SER 39 -3.382 -7.807 8.876 306 HB2 SER 39 1HB SER 39 -4.218 -10.388 7.507 307 HB3 SER 39 2HB SER 39 -3.653 -10.248 9.170 308 HG SER 39 HG SER 39 -5.935 -10.266 9.048 309 H LYS 40 H LYS 40 -1.954 -8.146 5.848 310 HA LYS 40 HA LYS 40 0.057 -10.102 6.445 311 HB2 LYS 40 1HB LYS 40 -0.888 -9.424 4.167 312 HB3 LYS 40 2HB LYS 40 0.081 -7.971 4.278 313 HG2 LYS 40 1HG LYS 40 1.294 -9.527 2.940 314 HG3 LYS 40 2HG LYS 40 2.157 -9.401 4.442 315 HD2 LYS 40 1HD LYS 40 2.041 -11.720 3.588 316 HD3 LYS 40 2HD LYS 40 1.309 -11.573 5.174 317 HE2 LYS 40 1HE LYS 40 -0.027 -13.039 3.772 318 HE3 LYS 40 2HE LYS 40 -0.952 -11.599 4.190 319 HZ1 LYS 40 3HZ LYS 40 -1.158 -12.225 1.843 320 HZ2 LYS 40 1HZ LYS 40 -0.529 -10.727 1.966 321 HZ3 LYS 40 2HZ LYS 40 0.432 -12.000 1.583 322 H THR 41 H THR 41 2.190 -9.933 6.905 323 HA THR 41 HA THR 41 3.525 -7.364 7.419 324 HB THR 41 HB THR 41 4.380 -8.202 9.631 325 HG1 THR 41 1HG THR 41 3.637 -10.397 9.270 326 HG21 THR 41 3HG2 THR 41 2.573 -7.535 11.028 327 HG22 THR 41 1HG2 THR 41 2.658 -6.468 9.637 328 HG23 THR 41 2HG2 THR 41 1.392 -7.721 9.698 329 H ASN 42 H ASN 42 5.725 -7.455 7.616 330 HA ASN 42 HA ASN 42 7.132 -10.013 7.160 331 HB2 ASN 42 1HB ASN 42 7.117 -7.642 5.243 332 HB3 ASN 42 2HB ASN 42 8.445 -8.786 5.298 333 HD21 ASN 42 2HD2 ASN 42 5.137 -8.309 4.259 334 HD22 ASN 42 1HD2 ASN 42 5.027 -9.828 3.371 335 H THR 43 H THR 43 9.011 -10.096 8.288 336 HA THR 43 HA THR 43 9.953 -7.730 9.794 337 HB THR 43 HB THR 43 11.085 -10.552 9.827 338 HG1 THR 43 1HG THR 43 9.630 -11.011 11.388 339 HG21 THR 43 3HG2 THR 43 11.635 -9.922 12.193 340 HG22 THR 43 1HG2 THR 43 12.471 -8.905 11.016 341 HG23 THR 43 2HG2 THR 43 11.044 -8.276 11.872 342 H ASN 44 H ASN 44 11.962 -6.797 9.586 343 HA ASN 44 HA ASN 44 13.536 -7.422 7.118 344 HB2 ASN 44 1HB ASN 44 13.373 -4.850 8.746 345 HB3 ASN 44 2HB ASN 44 14.312 -5.092 7.277 346 HD21 ASN 44 2HD2 ASN 44 11.048 -4.833 8.579 347 HD22 ASN 44 1HD2 ASN 44 10.272 -4.411 7.037 348 H ARG 45 H ARG 45 15.841 -7.229 7.227 349 HA ARG 45 HA ARG 45 17.104 -8.567 9.405 350 HB2 ARG 45 1HB ARG 45 18.392 -6.851 7.238 351 HB3 ARG 45 2HB ARG 45 19.218 -8.025 8.275 352 HG2 ARG 45 1HG ARG 45 17.744 -9.832 7.343 353 HG3 ARG 45 2HG ARG 45 17.052 -8.637 6.224 354 HD2 ARG 45 1HD ARG 45 19.295 -8.227 5.264 355 HD3 ARG 45 2HD ARG 45 19.993 -9.418 6.382 356 HE ARG 45 HE ARG 45 17.874 -10.661 4.957 357 HH11 ARG 45 1HH1 ARG 45 21.127 -9.450 4.268 358 HH12 ARG 45 2HH1 ARG 45 21.363 -10.565 2.955 359 HH21 ARG 45 1HH2 ARG 45 18.242 -12.070 3.252 360 HH22 ARG 45 2HH2 ARG 45 19.750 -12.026 2.390 361 H ASN 46 H ASN 46 16.541 -5.186 8.880 362 HA ASN 46 HA ASN 46 18.323 -4.063 10.831 363 HB2 ASN 46 1HB ASN 46 17.312 -2.805 8.982 364 HB3 ASN 46 2HB ASN 46 15.696 -3.094 9.626 365 HD21 ASN 46 2HD2 ASN 46 14.854 -1.520 10.954 366 HD22 ASN 46 1HD2 ASN 46 15.828 -0.302 11.772 367 H GLY 47 H GLY 47 15.388 -5.884 11.297 368 HA2 GLY 47 1HA GLY 47 14.485 -6.586 13.341 369 HA3 GLY 47 2HA GLY 47 15.281 -5.243 14.196 370 H SER 48 H SER 48 13.838 -3.886 11.517 371 HA SER 48 HA SER 48 11.356 -3.080 12.926 372 HB2 SER 48 1HB SER 48 11.142 -1.561 10.935 373 HB3 SER 48 2HB SER 48 12.546 -1.257 11.961 374 HG SER 48 HG SER 48 12.964 -1.283 9.623 375 H LYS 49 H LYS 49 9.314 -3.168 11.739 376 HA LYS 49 HA LYS 49 9.093 -5.519 9.900 377 HB2 LYS 49 1HB LYS 49 8.421 -5.804 12.461 378 HB3 LYS 49 2HB LYS 49 6.974 -4.956 11.945 379 HG2 LYS 49 1HG LYS 49 6.645 -6.771 10.193 380 HG3 LYS 49 2HG LYS 49 8.004 -7.621 10.958 381 HD2 LYS 49 1HD LYS 49 6.669 -7.376 13.179 382 HD3 LYS 49 2HD LYS 49 5.321 -6.859 12.167 383 HE2 LYS 49 1HE LYS 49 4.927 -9.143 12.523 384 HE3 LYS 49 2HE LYS 49 5.588 -9.072 10.888 385 HZ1 LYS 49 3HZ LYS 49 6.602 -10.838 12.204 386 HZ2 LYS 49 1HZ LYS 49 7.743 -9.743 11.797 387 HZ3 LYS 49 2HZ LYS 49 7.137 -9.774 13.321 388 H ASP 50 H ASP 50 7.408 -5.526 8.510 389 HA ASP 50 HA ASP 50 6.327 -2.896 7.654 390 HB2 ASP 50 1HB ASP 50 6.478 -5.586 6.240 391 HB3 ASP 50 2HB ASP 50 5.937 -4.075 5.538 392 H TYR 51 H TYR 51 4.106 -2.587 7.431 393 HA TYR 51 HA TYR 51 2.208 -4.763 8.226 394 HB2 TYR 51 1HB TYR 51 2.350 -1.909 9.269 395 HB3 TYR 51 2HB TYR 51 1.107 -3.076 9.676 396 HD1 TYR 51 2HD TYR 51 4.685 -2.182 10.099 397 HD2 TYR 51 1HD TYR 51 1.450 -4.697 11.421 398 HE1 TYR 51 2HE TYR 51 5.985 -2.790 12.110 399 HE2 TYR 51 1HE TYR 51 2.741 -5.307 13.454 400 HH TYR 51 HH TYR 51 4.693 -4.996 14.643 401 H GLY 52 H GLY 52 0.076 -4.581 7.514 402 HA2 GLY 52 1HA GLY 52 -1.789 -3.718 6.438 403 HA3 GLY 52 2HA GLY 52 -0.946 -2.170 6.261 404 H LEU 53 H LEU 53 -2.387 -2.521 4.266 405 HA LEU 53 HA LEU 53 -1.698 -4.431 2.325 406 HB2 LEU 53 1HB LEU 53 -3.740 -2.524 2.746 407 HB3 LEU 53 2HB LEU 53 -2.890 -1.826 1.387 408 HG LEU 53 HG LEU 53 -3.066 -4.355 0.432 409 HD11 LEU 53 1HD1 LEU 53 -4.114 -5.173 2.508 410 HD12 LEU 53 2HD1 LEU 53 -5.461 -4.034 2.272 411 HD13 LEU 53 3HD1 LEU 53 -5.225 -5.333 1.123 412 HD21 LEU 53 3HD2 LEU 53 -5.132 -3.760 -0.681 413 HD22 LEU 53 1HD2 LEU 53 -5.402 -2.419 0.469 414 HD23 LEU 53 2HD2 LEU 53 -4.026 -2.354 -0.650 415 H PHE 54 H PHE 54 0.006 -1.581 2.883 416 HA PHE 54 HA PHE 54 1.405 -1.822 0.243 417 HB2 PHE 54 1HB PHE 54 1.139 0.572 2.089 418 HB3 PHE 54 2HB PHE 54 2.039 0.542 0.587 419 HD1 PHE 54 2HD PHE 54 -1.388 0.346 2.028 420 HD2 PHE 54 1HD PHE 54 0.957 0.823 -1.552 421 HE1 PHE 54 2HE PHE 54 -3.432 0.982 0.789 422 HE2 PHE 54 1HE PHE 54 -1.089 1.507 -2.780 423 HZ PHE 54 HZ PHE 54 -3.284 1.582 -1.624 424 H GLN 55 H GLN 55 1.770 -3.225 3.020 425 HA GLN 55 HA GLN 55 3.374 -3.754 4.522 426 HB2 GLN 55 1HB GLN 55 4.807 -3.869 1.851 427 HB3 GLN 55 2HB GLN 55 5.627 -4.367 3.330 428 HG2 GLN 55 1HG GLN 55 3.320 -5.659 1.937 429 HG3 GLN 55 2HG GLN 55 4.873 -6.333 2.348 430 HE21 GLN 55 2HE2 GLN 55 1.602 -5.743 3.525 431 HE22 GLN 55 1HE2 GLN 55 1.856 -6.447 5.118 432 H ILE 56 H ILE 56 3.020 -1.450 5.283 433 HA ILE 56 HA ILE 56 5.169 0.469 4.754 434 HB ILE 56 HB ILE 56 2.825 0.762 6.685 435 HG12 ILE 56 1HG1 ILE 56 3.018 1.310 3.680 436 HG13 ILE 56 2HG1 ILE 56 1.908 0.164 4.460 437 HG21 ILE 56 1HG2 ILE 56 4.725 2.369 6.843 438 HG22 ILE 56 2HG2 ILE 56 4.430 2.840 5.154 439 HG23 ILE 56 3HG2 ILE 56 3.197 3.117 6.413 440 HD11 ILE 56 3HD1 ILE 56 0.551 1.970 3.890 441 HD12 ILE 56 1HD1 ILE 56 0.870 2.229 5.618 442 HD13 ILE 56 2HD1 ILE 56 1.759 3.157 4.377 443 H ASN 57 H ASN 57 6.890 0.891 6.038 444 HA ASN 57 HA ASN 57 7.353 -0.978 8.224 445 HB2 ASN 57 1HB ASN 57 8.946 -0.593 6.363 446 HB3 ASN 57 2HB ASN 57 9.212 1.050 6.973 447 HD21 ASN 57 2HD2 ASN 57 9.824 -2.370 7.495 448 HD22 ASN 57 1HD2 ASN 57 11.020 -2.135 8.776 449 H ASP 58 H ASP 58 7.636 -0.582 10.300 450 HA ASP 58 HA ASP 58 6.496 1.677 11.508 451 HB2 ASP 58 1HB ASP 58 6.878 0.679 13.543 452 HB3 ASP 58 2HB ASP 58 6.641 -0.653 12.423 453 H ARG 59 H ARG 59 9.674 1.534 10.348 454 HA ARG 59 HA ARG 59 10.930 3.208 12.379 455 HB2 ARG 59 1HB ARG 59 12.003 1.365 11.085 456 HB3 ARG 59 2HB ARG 59 11.902 2.357 9.626 457 HG2 ARG 59 1HG ARG 59 13.441 4.005 10.586 458 HG3 ARG 59 2HG ARG 59 13.389 3.164 12.146 459 HD2 ARG 59 1HD ARG 59 14.224 1.083 10.828 460 HD3 ARG 59 2HD ARG 59 14.584 2.210 9.520 461 HE ARG 59 HE ARG 59 15.662 2.678 12.264 462 HH11 ARG 59 1HH1 ARG 59 16.434 1.920 8.889 463 HH12 ARG 59 2HH1 ARG 59 18.147 2.003 9.175 464 HH21 ARG 59 1HH2 ARG 59 17.878 2.857 12.530 465 HH22 ARG 59 2HH2 ARG 59 18.945 2.555 11.194 466 H TYR 60 H TYR 60 9.061 3.863 9.532 467 HA TYR 60 HA TYR 60 10.171 6.656 9.334 468 HB2 TYR 60 1HB TYR 60 9.413 4.717 7.120 469 HB3 TYR 60 2HB TYR 60 9.968 6.357 6.875 470 HD1 TYR 60 1HD TYR 60 12.339 6.887 8.129 471 HD2 TYR 60 2HD TYR 60 10.967 2.969 6.957 472 HE1 TYR 60 1HE TYR 60 14.689 6.090 8.052 473 HE2 TYR 60 2HE TYR 60 13.317 2.171 6.872 474 HH TYR 60 HH TYR 60 16.094 4.327 7.601 475 H TRP 61 H TRP 61 7.380 4.747 8.109 476 HA TRP 61 HA TRP 61 5.891 7.277 7.753 477 HB2 TRP 61 1HB TRP 61 5.263 4.490 6.823 478 HB3 TRP 61 2HB TRP 61 4.601 5.967 6.173 479 HD1 TRP 61 HD TRP 61 7.038 3.415 5.466 480 HE1 TRP 61 1HE TRP 61 8.842 4.139 3.787 481 HE3 TRP 61 3HE TRP 61 6.092 8.452 5.366 482 HZ2 TRP 61 2HZ TRP 61 9.622 6.553 2.412 483 HZ3 TRP 61 3HZ TRP 61 7.273 9.910 3.760 484 HH2 TRP 61 HH TRP 61 9.058 8.984 2.291 485 H CYS 62 H CYS 62 5.177 4.003 9.060 486 HA CYS 62 HA CYS 62 3.081 5.155 10.834 487 HB2 CYS 62 1HB CYS 62 2.482 2.725 11.184 488 HB3 CYS 62 2HB CYS 62 2.173 3.366 9.590 489 H SER 63 H SER 63 3.030 4.336 13.056 490 HA SER 63 HA SER 63 5.739 3.973 14.275 491 HB2 SER 63 1HB SER 63 4.344 6.020 14.836 492 HB3 SER 63 2HB SER 63 3.157 4.934 15.565 493 HG SER 63 HG SER 63 4.665 5.712 17.123 494 H LYS 64 H LYS 64 6.199 2.263 15.574 495 HA LYS 64 HA LYS 64 4.373 -0.002 15.771 496 HB2 LYS 64 1HB LYS 64 6.227 -1.056 17.008 497 HB3 LYS 64 2HB LYS 64 6.739 -0.441 15.456 498 HG2 LYS 64 1HG LYS 64 8.153 1.141 16.371 499 HG3 LYS 64 2HG LYS 64 7.100 1.472 17.735 500 HD2 LYS 64 1HD LYS 64 9.169 0.463 18.520 501 HD3 LYS 64 2HD LYS 64 7.772 -0.541 18.884 502 HE2 LYS 64 1HE LYS 64 9.493 -2.017 18.201 503 HE3 LYS 64 2HE LYS 64 8.315 -1.974 16.887 504 HZ1 LYS 64 3HZ LYS 64 10.624 -1.815 16.102 505 HZ2 LYS 64 1HZ LYS 64 9.788 -0.479 15.676 506 HZ3 LYS 64 2HZ LYS 64 10.851 -0.422 16.928 507 H GLY 65 H GLY 65 4.642 2.766 17.706 508 HA2 GLY 65 1HA GLY 65 4.526 1.566 20.339 509 HA3 GLY 65 2HA GLY 65 4.259 3.274 19.940 510 H ALA 66 H ALA 66 2.693 2.909 21.780 511 HA ALA 66 HA ALA 66 0.165 1.571 21.150 512 HB1 ALA 66 1HB ALA 66 1.078 1.657 23.441 513 HB2 ALA 66 2HB ALA 66 0.931 3.435 23.437 514 HB3 ALA 66 3HB ALA 66 -0.522 2.416 23.341 515 H SER 67 H SER 67 1.443 4.544 20.205 516 HA SER 67 HA SER 67 -1.214 5.667 19.473 517 HB2 SER 67 1HB SER 67 1.051 7.148 20.867 518 HB3 SER 67 2HB SER 67 -0.345 7.932 20.115 519 HG SER 67 HG SER 67 -0.625 7.607 22.390 520 HA PRO 68 HA PRO 68 0.972 6.486 15.606 521 HB2 PRO 68 1HB PRO 68 -0.470 8.555 14.564 522 HB3 PRO 68 2HB PRO 68 -1.133 6.893 14.701 523 HG2 PRO 68 1HG PRO 68 -1.542 9.213 16.610 524 HG3 PRO 68 2HG PRO 68 -2.787 8.149 15.877 525 HD2 PRO 68 1HD PRO 68 -1.807 7.688 18.365 526 HD3 PRO 68 2HD PRO 68 -2.184 6.333 17.260 527 H GLY 69 H GLY 69 2.445 8.060 14.664 528 HA2 GLY 69 1HA GLY 69 3.059 10.626 15.525 529 HA3 GLY 69 2HA GLY 69 3.793 9.612 16.757 530 H LYS 70 H LYS 70 3.550 9.159 13.239 531 HA LYS 70 HA LYS 70 6.478 9.523 12.848 532 HB2 LYS 70 1HB LYS 70 4.789 7.092 12.209 533 HB3 LYS 70 2HB LYS 70 6.168 7.463 11.189 534 HG2 LYS 70 1HG LYS 70 6.506 7.308 14.207 535 HG3 LYS 70 2HG LYS 70 6.511 5.865 13.217 536 HD2 LYS 70 1HD LYS 70 8.356 6.693 11.865 537 HD3 LYS 70 2HD LYS 70 8.390 8.208 12.800 538 HE2 LYS 70 1HE LYS 70 8.811 6.841 14.876 539 HE3 LYS 70 2HE LYS 70 8.895 5.389 13.867 540 HZ1 LYS 70 3HZ LYS 70 11.101 6.294 14.318 541 HZ2 LYS 70 1HZ LYS 70 10.802 6.387 12.712 542 HZ3 LYS 70 2HZ LYS 70 10.714 7.731 13.648 543 H ASP 71 H ASP 71 6.650 9.241 10.111 544 HA ASP 71 HA ASP 71 5.969 11.846 9.395 545 HB2 ASP 71 1HB ASP 71 7.769 10.473 8.403 546 HB3 ASP 71 2HB ASP 71 6.561 9.518 7.538 547 H CYS 72 H CYS 72 3.945 9.003 8.931 548 HA CYS 72 HA CYS 72 1.954 10.598 7.363 549 HB2 CYS 72 1HB CYS 72 2.223 7.616 7.744 550 HB3 CYS 72 2HB CYS 72 1.052 8.444 6.717 551 H ASN 73 H ASN 73 2.467 10.225 10.532 552 HA ASN 73 HA ASN 73 1.231 10.314 12.401 553 HB2 ASN 73 1HB ASN 73 0.671 12.416 11.163 554 HB3 ASN 73 2HB ASN 73 -0.799 11.643 10.565 555 HD21 ASN 73 2HD2 ASN 73 -2.115 13.260 11.640 556 HD22 ASN 73 1HD2 ASN 73 -2.314 13.229 13.383 557 H VAL 74 H VAL 74 1.149 7.827 11.632 558 HA VAL 74 HA VAL 74 -1.501 6.790 12.375 559 HB VAL 74 HB VAL 74 -1.526 7.106 9.910 560 HG11 VAL 74 1HG1 VAL 74 0.876 6.682 9.432 561 HG12 VAL 74 2HG1 VAL 74 0.636 4.966 9.822 562 HG13 VAL 74 3HG1 VAL 74 -0.201 5.684 8.438 563 HG21 VAL 74 3HG2 VAL 74 -2.480 4.979 9.362 564 HG22 VAL 74 1HG2 VAL 74 -1.610 4.173 10.680 565 HG23 VAL 74 2HG2 VAL 74 -2.884 5.360 11.046 566 H LYS 75 H LYS 75 -1.485 4.620 13.016 567 HA LYS 75 HA LYS 75 1.106 3.691 14.151 568 HB2 LYS 75 1HB LYS 75 -0.932 4.475 15.481 569 HB3 LYS 75 2HB LYS 75 -1.736 2.994 14.958 570 HG2 LYS 75 1HG LYS 75 0.075 1.669 16.111 571 HG3 LYS 75 2HG LYS 75 0.862 3.195 16.547 572 HD2 LYS 75 1HD LYS 75 -0.355 2.624 18.463 573 HD3 LYS 75 2HD LYS 75 -1.338 3.862 17.689 574 HE2 LYS 75 1HE LYS 75 -2.659 1.868 16.661 575 HE3 LYS 75 2HE LYS 75 -1.770 0.858 17.818 576 HZ1 LYS 75 3HZ LYS 75 -3.843 1.516 18.794 577 HZ2 LYS 75 1HZ LYS 75 -2.676 2.353 19.591 578 HZ3 LYS 75 2HZ LYS 75 -3.605 3.093 18.465 579 H CYS 76 H CYS 76 1.902 1.672 13.679 580 HA CYS 76 HA CYS 76 1.307 0.228 11.374 581 HB2 CYS 76 1HB CYS 76 2.459 -0.797 14.003 582 HB3 CYS 76 2HB CYS 76 2.617 -1.580 12.436 583 H SER 77 H SER 77 -0.103 -0.366 14.619 584 HA SER 77 HA SER 77 -1.463 -2.806 13.879 585 HB2 SER 77 1HB SER 77 -0.820 -2.057 16.201 586 HB3 SER 77 2HB SER 77 -2.168 -0.905 16.137 587 HG SER 77 HG SER 77 -2.728 -2.930 17.140 588 H ASP 78 H ASP 78 -2.459 0.637 13.631 589 HA ASP 78 HA ASP 78 -5.244 0.004 13.037 590 HB2 ASP 78 1HB ASP 78 -3.563 2.515 12.801 591 HB3 ASP 78 2HB ASP 78 -5.198 2.425 12.165 592 H LEU 79 H LEU 79 -2.333 -0.215 11.202 593 HA LEU 79 HA LEU 79 -3.606 0.019 8.574 594 HB2 LEU 79 1HB LEU 79 -0.967 -1.355 9.200 595 HB3 LEU 79 2HB LEU 79 -1.539 -0.701 7.674 596 HG LEU 79 HG LEU 79 -0.639 0.893 10.096 597 HD11 LEU 79 1HD1 LEU 79 1.173 -0.057 8.777 598 HD12 LEU 79 2HD1 LEU 79 0.443 0.530 7.271 599 HD13 LEU 79 3HD1 LEU 79 1.082 1.682 8.457 600 HD21 LEU 79 3HD2 LEU 79 -0.961 2.900 8.623 601 HD22 LEU 79 1HD2 LEU 79 -1.815 1.859 7.469 602 HD23 LEU 79 2HD2 LEU 79 -2.485 2.134 9.092 603 H LEU 80 H LEU 80 -3.610 -2.395 10.987 604 HA LEU 80 HA LEU 80 -3.992 -4.640 9.107 605 HB2 LEU 80 1HB LEU 80 -3.915 -4.684 12.132 606 HB3 LEU 80 2HB LEU 80 -3.803 -6.062 11.045 607 HG LEU 80 HG LEU 80 -1.730 -3.858 11.355 608 HD11 LEU 80 1HD1 LEU 80 -1.891 -5.406 13.279 609 HD12 LEU 80 2HD1 LEU 80 -1.692 -6.792 12.183 610 HD13 LEU 80 3HD1 LEU 80 -0.370 -5.629 12.404 611 HD21 LEU 80 3HD2 LEU 80 -0.253 -5.309 9.963 612 HD22 LEU 80 1HD2 LEU 80 -1.644 -6.349 9.611 613 HD23 LEU 80 2HD2 LEU 80 -1.620 -4.651 9.068 614 H THR 81 H THR 81 -6.004 -2.337 9.932 615 HA THR 81 HA THR 81 -8.308 -3.753 11.026 616 HB THR 81 HB THR 81 -9.483 -1.590 10.631 617 HG1 THR 81 1HG THR 81 -7.049 -0.375 10.032 618 HG21 THR 81 3HG2 THR 81 -8.175 -0.264 12.257 619 HG22 THR 81 1HG2 THR 81 -8.386 -1.948 12.762 620 HG23 THR 81 2HG2 THR 81 -6.827 -1.414 12.110 621 H ASP 82 H ASP 82 -10.481 -3.192 9.820 622 HA ASP 82 HA ASP 82 -10.356 -4.843 7.378 623 HB2 ASP 82 1HB ASP 82 -12.750 -3.937 9.018 624 HB3 ASP 82 2HB ASP 82 -12.737 -5.183 7.770 625 H ASP 83 H ASP 83 -9.898 -1.773 7.593 626 HA ASP 83 HA ASP 83 -11.055 -1.250 4.926 627 HB2 ASP 83 1HB ASP 83 -12.494 -0.047 6.594 628 HB3 ASP 83 2HB ASP 83 -11.078 0.870 7.109 629 H ILE 84 H ILE 84 -9.492 -0.703 3.597 630 HA ILE 84 HA ILE 84 -6.753 -0.751 4.456 631 HB ILE 84 HB ILE 84 -6.196 -0.680 2.147 632 HG12 ILE 84 1HG1 ILE 84 -9.022 0.313 1.553 633 HG13 ILE 84 2HG1 ILE 84 -7.560 1.298 1.546 634 HG21 ILE 84 1HG2 ILE 84 -7.484 -2.722 2.990 635 HG22 ILE 84 2HG2 ILE 84 -8.920 -2.061 2.213 636 HG23 ILE 84 3HG2 ILE 84 -7.516 -2.508 1.239 637 HD11 ILE 84 3HD1 ILE 84 -8.169 0.770 -0.699 638 HD12 ILE 84 1HD1 ILE 84 -6.613 -0.003 -0.283 639 HD13 ILE 84 2HD1 ILE 84 -8.113 -0.970 -0.370 640 H THR 85 H THR 85 -8.909 1.870 4.368 641 HA THR 85 HA THR 85 -7.521 3.979 3.236 642 HB THR 85 HB THR 85 -9.847 3.985 3.871 643 HG1 THR 85 1HG THR 85 -9.883 6.135 4.362 644 HG21 THR 85 3HG2 THR 85 -10.605 4.533 6.090 645 HG22 THR 85 1HG2 THR 85 -9.600 3.083 6.217 646 HG23 THR 85 2HG2 THR 85 -8.940 4.662 6.698 647 H LYS 86 H LYS 86 -7.024 2.795 6.553 648 HA LYS 86 HA LYS 86 -5.324 4.936 7.417 649 HB2 LYS 86 1HB LYS 86 -5.261 1.995 8.225 650 HB3 LYS 86 2HB LYS 86 -4.562 3.325 9.133 651 HG2 LYS 86 1HG LYS 86 -7.524 2.818 8.630 652 HG3 LYS 86 2HG LYS 86 -6.659 2.574 10.135 653 HD2 LYS 86 1HD LYS 86 -7.197 5.261 8.807 654 HD3 LYS 86 2HD LYS 86 -8.016 4.584 10.219 655 HE2 LYS 86 1HE LYS 86 -5.846 4.558 11.459 656 HE3 LYS 86 2HE LYS 86 -5.058 5.323 10.072 657 HZ1 LYS 86 3HZ LYS 86 -5.716 6.965 11.736 658 HZ2 LYS 86 1HZ LYS 86 -6.562 7.225 10.362 659 HZ3 LYS 86 2HZ LYS 86 -7.282 6.512 11.646 660 H ALA 87 H ALA 87 -4.651 2.103 5.437 661 HA ALA 87 HA ALA 87 -1.728 2.626 5.376 662 HB1 ALA 87 1HB ALA 87 -2.730 0.287 5.561 663 HB2 ALA 87 2HB ALA 87 -3.360 0.499 3.909 664 HB3 ALA 87 3HB ALA 87 -1.606 0.525 4.218 665 H ALA 88 H ALA 88 -4.589 2.767 3.231 666 HA ALA 88 HA ALA 88 -3.202 3.476 0.867 667 HB1 ALA 88 1HB ALA 88 -5.537 2.566 1.055 668 HB2 ALA 88 2HB ALA 88 -6.073 4.163 1.641 669 HB3 ALA 88 3HB ALA 88 -5.401 3.983 0.014 670 H LYS 89 H LYS 89 -4.692 5.690 3.317 671 HA LYS 89 HA LYS 89 -3.930 8.098 1.896 672 HB2 LYS 89 1HB LYS 89 -4.613 7.497 4.794 673 HB3 LYS 89 2HB LYS 89 -4.294 9.131 4.185 674 HG2 LYS 89 1HG LYS 89 -6.143 8.973 2.591 675 HG3 LYS 89 2HG LYS 89 -6.477 7.302 3.078 676 HD2 LYS 89 1HD LYS 89 -7.056 8.021 5.341 677 HD3 LYS 89 2HD LYS 89 -6.638 9.707 4.947 678 HE2 LYS 89 1HE LYS 89 -8.399 9.765 3.219 679 HE3 LYS 89 2HE LYS 89 -8.781 8.067 3.524 680 HZ1 LYS 89 3HZ LYS 89 -10.318 9.541 4.681 681 HZ2 LYS 89 1HZ LYS 89 -9.455 8.687 5.776 682 HZ3 LYS 89 2HZ LYS 89 -9.101 10.261 5.499 683 H CYS 90 H CYS 90 -2.223 6.066 4.215 684 HA CYS 90 HA CYS 90 0.104 7.802 4.526 685 HB2 CYS 90 1HB CYS 90 -0.486 6.219 6.211 686 HB3 CYS 90 2HB CYS 90 -0.455 4.868 5.073 687 H ALA 91 H ALA 91 -0.735 5.107 2.304 688 HA ALA 91 HA ALA 91 1.676 5.121 0.811 689 HB1 ALA 91 1HB ALA 91 -0.105 3.382 0.749 690 HB2 ALA 91 2HB ALA 91 -1.143 4.499 -0.151 691 HB3 ALA 91 3HB ALA 91 0.378 3.944 -0.868 692 H LYS 92 H LYS 92 -1.283 7.234 0.334 693 HA LYS 92 HA LYS 92 -0.163 8.642 -1.879 694 HB2 LYS 92 1HB LYS 92 -1.905 9.921 0.249 695 HB3 LYS 92 2HB LYS 92 -1.704 10.408 -1.425 696 HG2 LYS 92 1HG LYS 92 -3.216 8.036 -0.333 697 HG3 LYS 92 2HG LYS 92 -3.851 9.417 -1.156 698 HD2 LYS 92 1HD LYS 92 -2.263 7.122 -2.347 699 HD3 LYS 92 2HD LYS 92 -3.953 7.500 -2.602 700 HE2 LYS 92 1HE LYS 92 -1.602 9.202 -3.562 701 HE3 LYS 92 2HE LYS 92 -2.539 8.084 -4.554 702 HZ1 LYS 92 3HZ LYS 92 -3.309 10.363 -4.823 703 HZ2 LYS 92 1HZ LYS 92 -4.506 9.463 -4.176 704 HZ3 LYS 92 2HZ LYS 92 -3.658 10.498 -3.233 705 H LYS 93 H LYS 93 0.238 9.269 1.633 706 HA LYS 93 HA LYS 93 1.881 11.599 1.324 707 HB2 LYS 93 1HB LYS 93 0.643 11.006 3.373 708 HB3 LYS 93 2HB LYS 93 1.671 9.600 3.604 709 HG2 LYS 93 1HG LYS 93 2.286 11.403 5.111 710 HG3 LYS 93 2HG LYS 93 3.621 11.025 4.026 711 HD2 LYS 93 1HD LYS 93 3.144 13.038 2.683 712 HD3 LYS 93 2HD LYS 93 1.668 13.331 3.616 713 HE2 LYS 93 1HE LYS 93 3.309 14.841 4.450 714 HE3 LYS 93 2HE LYS 93 3.076 13.599 5.685 715 HZ1 LYS 93 3HZ LYS 93 5.426 14.113 5.289 716 HZ2 LYS 93 1HZ LYS 93 5.134 12.551 4.966 717 HZ3 LYS 93 2HZ LYS 93 5.316 13.621 3.733 718 H ILE 94 H ILE 94 2.723 8.194 1.096 719 HA ILE 94 HA ILE 94 5.627 8.715 0.930 720 HB ILE 94 HB ILE 94 3.946 6.288 0.176 721 HG12 ILE 94 1HG1 ILE 94 5.888 6.613 2.479 722 HG13 ILE 94 2HG1 ILE 94 4.186 6.968 2.677 723 HG21 ILE 94 1HG2 ILE 94 5.969 6.333 -1.192 724 HG22 ILE 94 2HG2 ILE 94 6.963 6.738 0.220 725 HG23 ILE 94 3HG2 ILE 94 6.196 5.136 0.079 726 HD11 ILE 94 3HD1 ILE 94 4.591 4.746 3.487 727 HD12 ILE 94 1HD1 ILE 94 3.617 4.630 2.014 728 HD13 ILE 94 2HD1 ILE 94 5.356 4.252 1.970 729 H TYR 95 H TYR 95 3.026 8.050 -1.471 730 HA TYR 95 HA TYR 95 4.586 8.258 -3.780 731 HB2 TYR 95 1HB TYR 95 2.602 7.352 -4.231 732 HB3 TYR 95 2HB TYR 95 1.719 8.336 -3.082 733 HD1 TYR 95 2HD TYR 95 1.141 10.762 -3.683 734 HD2 TYR 95 1HD TYR 95 2.345 7.781 -6.556 735 HE1 TYR 95 2HE TYR 95 0.093 12.093 -5.504 736 HE2 TYR 95 1HE TYR 95 1.317 9.113 -8.379 737 HH TYR 95 HH TYR 95 0.157 11.027 -8.932 738 H LYS 96 H LYS 96 3.375 10.869 -1.822 739 HA LYS 96 HA LYS 96 3.899 13.133 -3.458 740 HB2 LYS 96 1HB LYS 96 3.967 12.502 -0.494 741 HB3 LYS 96 2HB LYS 96 4.374 14.120 -1.039 742 HG2 LYS 96 1HG LYS 96 1.731 12.785 -1.753 743 HG3 LYS 96 2HG LYS 96 1.972 13.774 -0.308 744 HD2 LYS 96 1HD LYS 96 2.616 15.704 -1.734 745 HD3 LYS 96 2HD LYS 96 2.333 14.722 -3.188 746 HE2 LYS 96 1HE LYS 96 -0.031 14.382 -2.501 747 HE3 LYS 96 2HE LYS 96 0.246 15.353 -1.050 748 HZ1 LYS 96 3HZ LYS 96 -0.757 16.673 -2.815 749 HZ2 LYS 96 1HZ LYS 96 0.734 17.253 -2.490 750 HZ3 LYS 96 2HZ LYS 96 0.478 16.357 -3.835 751 H ARG 97 H ARG 97 6.241 10.931 -2.162 752 HA ARG 97 HA ARG 97 8.450 12.723 -3.107 753 HB2 ARG 97 1HB ARG 97 8.463 10.890 -0.672 754 HB3 ARG 97 2HB ARG 97 9.876 11.717 -1.317 755 HG2 ARG 97 1HG ARG 97 7.387 13.079 -0.190 756 HG3 ARG 97 2HG ARG 97 8.910 12.840 0.662 757 HD2 ARG 97 1HD ARG 97 10.098 14.249 -0.954 758 HD3 ARG 97 2HD ARG 97 8.630 14.480 -1.899 759 HE ARG 97 HE ARG 97 9.227 15.573 0.793 760 HH11 ARG 97 1HH1 ARG 97 6.876 15.466 -1.875 761 HH12 ARG 97 2HH1 ARG 97 6.077 16.910 -1.321 762 HH21 ARG 97 1HH2 ARG 97 8.123 17.406 1.436 763 HH22 ARG 97 2HH2 ARG 97 6.747 17.964 0.537 764 H HIS 98 H HIS 98 7.243 9.425 -2.764 765 HA HIS 98 HA HIS 98 9.052 8.503 -4.964 766 HB2 HIS 98 1HB HIS 98 8.477 7.095 -2.328 767 HB3 HIS 98 2HB HIS 98 9.409 6.427 -3.670 768 HD2 HIS 98 2HD HIS 98 9.757 8.506 -0.570 769 HE1 HIS 98 1HE HIS 98 13.487 8.895 -2.586 770 HE2 HIS 98 2HE HIS 98 12.251 9.334 -0.401 771 H ARG 99 H ARG 99 7.173 8.807 -6.317 772 HA ARG 99 HA ARG 99 4.635 8.068 -5.894 773 HB2 ARG 99 1HB ARG 99 4.168 8.149 -8.178 774 HB3 ARG 99 2HB ARG 99 5.364 9.372 -7.806 775 HG2 ARG 99 1HG ARG 99 5.884 6.719 -9.227 776 HG3 ARG 99 2HG ARG 99 5.631 8.272 -9.999 777 HD2 ARG 99 1HD ARG 99 7.680 9.137 -8.785 778 HD3 ARG 99 2HD ARG 99 8.029 7.477 -8.301 779 HE ARG 99 HE ARG 99 8.375 8.705 -10.907 780 HH11 ARG 99 1HH1 ARG 99 7.922 5.501 -9.451 781 HH12 ARG 99 2HH1 ARG 99 8.608 4.698 -10.826 782 HH21 ARG 99 1HH2 ARG 99 9.253 7.601 -12.611 783 HH22 ARG 99 2HH2 ARG 99 9.364 5.870 -12.579 784 H PHE 100 H PHE 100 6.980 5.758 -7.157 785 HA PHE 100 HA PHE 100 5.335 3.540 -6.082 786 HB2 PHE 100 1HB PHE 100 6.560 3.442 -8.857 787 HB3 PHE 100 2HB PHE 100 5.671 2.175 -8.026 788 HD1 PHE 100 1HD PHE 100 3.215 2.829 -7.230 789 HD2 PHE 100 2HD PHE 100 5.365 4.685 -10.474 790 HE1 PHE 100 1HE PHE 100 1.083 3.580 -8.211 791 HE2 PHE 100 2HE PHE 100 3.220 5.480 -11.433 792 HZ PHE 100 HZ PHE 100 1.072 4.920 -10.305 793 H ASP 101 H ASP 101 8.364 5.055 -6.293 794 HA ASP 101 HA ASP 101 10.050 2.725 -6.559 795 HB2 ASP 101 1HB ASP 101 10.576 4.978 -7.449 796 HB3 ASP 101 2HB ASP 101 10.715 5.591 -5.799 797 H ALA 102 H ALA 102 8.495 4.059 -3.816 798 HA ALA 102 HA ALA 102 10.405 3.156 -1.800 799 HB1 ALA 102 1HB ALA 102 8.844 4.992 -1.347 800 HB2 ALA 102 2HB ALA 102 7.456 3.916 -1.637 801 HB3 ALA 102 3HB ALA 102 8.527 3.642 -0.249 802 H TRP 103 H TRP 103 8.473 1.438 -3.926 803 HA TRP 103 HA TRP 103 8.316 -0.969 -2.151 804 HB2 TRP 103 1HB TRP 103 6.361 0.008 -4.274 805 HB3 TRP 103 2HB TRP 103 6.223 -1.498 -3.382 806 HD1 TRP 103 HD TRP 103 5.639 -1.329 -0.761 807 HE1 TRP 103 1HE TRP 103 4.230 0.340 0.528 808 HE3 TRP 103 3HE TRP 103 5.919 2.602 -4.013 809 HZ2 TRP 103 2HZ TRP 103 3.135 3.014 0.092 810 HZ3 TRP 103 3HZ TRP 103 4.667 4.690 -3.577 811 HH2 TRP 103 HH TRP 103 3.217 4.886 -1.564 812 H TYR 104 H TYR 104 8.639 -2.926 -2.987 813 HA TYR 104 HA TYR 104 10.429 -2.993 -5.352 814 HB2 TYR 104 1HB TYR 104 11.069 -3.879 -3.058 815 HB3 TYR 104 2HB TYR 104 9.856 -5.138 -3.273 816 HD1 TYR 104 1HD TYR 104 12.842 -3.574 -4.848 817 HD2 TYR 104 2HD TYR 104 10.458 -7.128 -4.452 818 HE1 TYR 104 1HE TYR 104 14.553 -4.853 -6.161 819 HE2 TYR 104 2HE TYR 104 12.165 -8.430 -5.736 820 HH TYR 104 HH TYR 104 15.147 -6.903 -7.030 821 H GLY 105 H GLY 105 7.349 -4.261 -4.185 822 HA2 GLY 105 1HA GLY 105 6.801 -6.187 -6.201 823 HA3 GLY 105 2HA GLY 105 5.590 -5.303 -5.238 824 H TRP 106 H TRP 106 6.803 -2.709 -6.458 825 HA TRP 106 HA TRP 106 5.301 -2.712 -8.990 826 HB2 TRP 106 1HB TRP 106 5.152 -0.776 -7.531 827 HB3 TRP 106 2HB TRP 106 6.887 -0.518 -7.616 828 HD1 TRP 106 HD TRP 106 3.739 -0.404 -9.812 829 HE1 TRP 106 1HE TRP 106 4.162 1.056 -11.888 830 HE3 TRP 106 3HE TRP 106 8.648 0.768 -8.995 831 HZ2 TRP 106 2HZ TRP 106 6.364 2.495 -13.069 832 HZ3 TRP 106 3HZ TRP 106 9.899 2.162 -10.619 833 HH2 TRP 106 HH TRP 106 8.775 3.012 -12.675 834 H LYS 107 H LYS 107 8.684 -1.662 -8.250 835 HA LYS 107 HA LYS 107 9.387 -1.755 -10.977 836 HB2 LYS 107 1HB LYS 107 11.766 -1.476 -10.137 837 HB3 LYS 107 2HB LYS 107 10.579 -0.268 -9.698 838 HG2 LYS 107 1HG LYS 107 10.349 -1.318 -7.442 839 HG3 LYS 107 2HG LYS 107 11.636 -2.462 -7.863 840 HD2 LYS 107 1HD LYS 107 13.240 -0.644 -8.082 841 HD3 LYS 107 2HD LYS 107 11.948 0.572 -8.001 842 HE2 LYS 107 1HE LYS 107 11.407 -0.156 -5.686 843 HE3 LYS 107 2HE LYS 107 12.771 -1.286 -5.728 844 HZ1 LYS 107 3HZ LYS 107 13.294 0.896 -4.694 845 HZ2 LYS 107 1HZ LYS 107 14.255 0.599 -5.992 846 HZ3 LYS 107 2HZ LYS 107 13.006 1.652 -6.115 847 H ASN 108 H ASN 108 9.499 -4.471 -8.766 848 HA ASN 108 HA ASN 108 11.275 -6.010 -10.494 849 HB2 ASN 108 1HB ASN 108 11.104 -6.214 -7.988 850 HB3 ASN 108 2HB ASN 108 9.522 -6.963 -8.208 851 HD21 ASN 108 2HD2 ASN 108 9.901 -9.110 -7.634 852 HD22 ASN 108 1HD2 ASN 108 11.167 -10.098 -8.342 853 H HIS 109 H HIS 109 7.973 -5.242 -10.826 854 HA HIS 109 HA HIS 109 7.496 -7.595 -12.640 855 HB2 HIS 109 1HB HIS 109 5.620 -6.505 -10.505 856 HB3 HIS 109 2HB HIS 109 5.198 -7.719 -11.709 857 HD2 HIS 109 2HD HIS 109 6.753 -7.357 -8.311 858 HE1 HIS 109 1HE HIS 109 7.263 -11.444 -9.382 859 HE2 HIS 109 2HE HIS 109 7.376 -9.773 -7.465 860 H CYS 110 H CYS 110 6.329 -4.329 -11.737 861 HA CYS 110 HA CYS 110 4.464 -4.057 -13.876 862 HB2 CYS 110 1HB CYS 110 5.851 -1.982 -12.132 863 HB3 CYS 110 2HB CYS 110 4.441 -1.676 -13.130 864 H GLN 111 H GLN 111 7.902 -3.559 -13.898 865 HA GLN 111 HA GLN 111 7.920 -1.927 -16.349 866 HB2 GLN 111 1HB GLN 111 10.143 -3.386 -14.863 867 HB3 GLN 111 2HB GLN 111 10.366 -2.316 -16.252 868 HG2 GLN 111 1HG GLN 111 9.329 -0.437 -14.954 869 HG3 GLN 111 2HG GLN 111 9.240 -1.490 -13.537 870 HE21 GLN 111 2HE2 GLN 111 11.413 -2.476 -12.791 871 HE22 GLN 111 1HE2 GLN 111 12.822 -1.437 -12.985 872 H GLY 112 H GLY 112 7.538 -5.289 -15.643 873 HA2 GLY 112 1HA GLY 112 8.314 -6.186 -18.378 874 HA3 GLY 112 2HA GLY 112 7.824 -7.201 -16.998 875 H SER 113 H SER 113 5.448 -6.246 -16.170 876 HA SER 113 HA SER 113 3.575 -5.661 -18.317 877 HB2 SER 113 1HB SER 113 4.140 -8.100 -18.724 878 HB3 SER 113 2HB SER 113 3.451 -8.459 -17.134 879 HG SER 113 HG SER 113 1.934 -8.702 -18.885 880 H LEU 114 H LEU 114 1.416 -5.318 -17.569 881 HA LEU 114 HA LEU 114 1.010 -5.301 -14.616 882 HB2 LEU 114 1HB LEU 114 0.104 -3.392 -16.810 883 HB3 LEU 114 2HB LEU 114 -0.610 -3.386 -15.204 884 HG LEU 114 HG LEU 114 2.374 -2.966 -15.693 885 HD11 LEU 114 1HD1 LEU 114 0.996 -1.206 -16.766 886 HD12 LEU 114 2HD1 LEU 114 0.197 -0.903 -15.198 887 HD13 LEU 114 3HD1 LEU 114 1.936 -0.595 -15.388 888 HD21 LEU 114 3HD2 LEU 114 2.191 -1.930 -13.380 889 HD22 LEU 114 1HD2 LEU 114 0.549 -2.575 -13.271 890 HD23 LEU 114 2HD2 LEU 114 1.932 -3.683 -13.408 891 HA PRO 115 HA PRO 115 -2.717 -7.707 -15.375 892 HB2 PRO 115 1HB PRO 115 -4.228 -7.042 -13.223 893 HB3 PRO 115 2HB PRO 115 -2.744 -8.039 -13.067 894 HG2 PRO 115 1HG PRO 115 -3.058 -5.056 -12.601 895 HG3 PRO 115 2HG PRO 115 -2.253 -6.263 -11.545 896 HD2 PRO 115 1HD PRO 115 -0.876 -4.699 -13.317 897 HD3 PRO 115 2HD PRO 115 -0.375 -6.380 -12.964 898 H ASP 116 H ASP 116 -4.882 -7.388 -16.094 899 HA ASP 116 HA ASP 116 -5.566 -4.666 -16.993 900 HB2 ASP 116 1HB ASP 116 -5.812 -6.551 -18.537 901 HB3 ASP 116 2HB ASP 116 -6.941 -7.335 -17.425 902 H ILE 117 H ILE 117 -7.417 -3.640 -16.523 903 HA ILE 117 HA ILE 117 -9.029 -4.356 -14.104 904 HB ILE 117 HB ILE 117 -8.899 -2.025 -13.343 905 HG12 ILE 117 1HG1 ILE 117 -6.758 -1.594 -15.483 906 HG13 ILE 117 2HG1 ILE 117 -8.424 -1.043 -15.638 907 HG21 ILE 117 1HG2 ILE 117 -7.319 -3.749 -12.454 908 HG22 ILE 117 2HG2 ILE 117 -6.094 -3.192 -13.612 909 HG23 ILE 117 3HG2 ILE 117 -6.692 -2.101 -12.348 910 HD11 ILE 117 3HD1 ILE 117 -7.070 0.779 -14.923 911 HD12 ILE 117 1HD1 ILE 117 -8.173 0.325 -13.603 912 HD13 ILE 117 2HD1 ILE 117 -6.452 -0.151 -13.541 913 H SER 118 H SER 118 -9.125 -3.653 -17.337 914 HA SER 118 HA SER 118 -11.085 -1.650 -17.600 915 HB2 SER 118 1HB SER 118 -10.609 -3.972 -19.502 916 HB3 SER 118 2HB SER 118 -11.325 -2.403 -19.889 917 HG SER 118 HG SER 118 -8.636 -3.052 -19.262 918 H SER 119 H SER 119 -11.672 -4.831 -16.447 919 HA SER 119 HA SER 119 -14.547 -4.883 -17.131 920 HB2 SER 119 1HB SER 119 -14.427 -7.014 -15.812 921 HB3 SER 119 2HB SER 119 -13.376 -6.963 -17.238 922 HG SER 119 HG SER 119 -12.295 -7.806 -15.370 923 H CYS 120 H CYS 120 -12.640 -3.430 -14.723 924 HA CYS 120 HA CYS 120 -14.501 -3.801 -12.479 925 HB2 CYS 120 1HB CYS 120 -11.947 -2.189 -12.679 926 HB3 CYS 120 2HB CYS 120 -12.789 -2.645 -11.202 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -9.428 -7.642 10.196 2 H2 GLY 1 2H GLY 1 -8.336 -8.840 10.470 3 H3 GLY 1 3H GLY 1 -7.932 -7.277 10.788 4 HA2 GLY 1 1HA GLY 1 -8.110 -6.703 8.470 5 HA3 GLY 1 2HA GLY 1 -6.883 -7.943 8.752 6 H LYS 2 H LYS 2 -7.898 -7.627 6.270 7 HA LYS 2 HA LYS 2 -9.457 -10.051 5.681 8 HB2 LYS 2 1HB LYS 2 -11.270 -8.862 4.592 9 HB3 LYS 2 2HB LYS 2 -11.170 -8.349 6.275 10 HG2 LYS 2 1HG LYS 2 -9.953 -6.285 5.580 11 HG3 LYS 2 2HG LYS 2 -10.061 -6.789 3.893 12 HD2 LYS 2 1HD LYS 2 -12.476 -6.268 5.669 13 HD3 LYS 2 2HD LYS 2 -11.737 -5.071 4.594 14 HE2 LYS 2 1HE LYS 2 -12.144 -6.547 2.639 15 HE3 LYS 2 2HE LYS 2 -12.920 -7.736 3.695 16 HZ1 LYS 2 3HZ LYS 2 -14.553 -6.302 2.624 17 HZ2 LYS 2 1HZ LYS 2 -14.598 -6.063 4.239 18 HZ3 LYS 2 2HZ LYS 2 -13.880 -4.960 3.269 19 H THR 3 H THR 3 -9.714 -10.444 3.388 20 HA THR 3 HA THR 3 -7.500 -9.311 1.731 21 HB THR 3 HB THR 3 -8.808 -11.999 1.270 22 HG1 THR 3 1HG THR 3 -6.700 -11.301 3.033 23 HG21 THR 3 3HG2 THR 3 -6.607 -12.461 0.187 24 HG22 THR 3 1HG2 THR 3 -7.460 -11.114 -0.580 25 HG23 THR 3 2HG2 THR 3 -6.108 -10.787 0.520 26 H PHE 4 H PHE 4 -7.941 -8.381 -0.119 27 HA PHE 4 HA PHE 4 -10.764 -8.134 -1.039 28 HB2 PHE 4 1HB PHE 4 -8.261 -6.483 -1.550 29 HB3 PHE 4 2HB PHE 4 -9.774 -6.188 -2.360 30 HD1 PHE 4 1HD PHE 4 -8.183 -6.257 1.042 31 HD2 PHE 4 2HD PHE 4 -11.467 -4.819 -1.365 32 HE1 PHE 4 1HE PHE 4 -8.958 -4.844 2.922 33 HE2 PHE 4 2HE PHE 4 -12.244 -3.436 0.524 34 HZ PHE 4 HZ PHE 4 -10.998 -3.445 2.679 35 H THR 5 H THR 5 -11.212 -8.195 -3.267 36 HA THR 5 HA THR 5 -9.458 -9.918 -4.978 37 HB THR 5 HB THR 5 -11.778 -10.709 -4.674 38 HG1 THR 5 1HG THR 5 -11.973 -11.089 -6.879 39 HG21 THR 5 3HG2 THR 5 -13.632 -9.614 -5.780 40 HG22 THR 5 1HG2 THR 5 -12.952 -8.462 -4.623 41 HG23 THR 5 2HG2 THR 5 -12.597 -8.299 -6.361 42 H ARG 6 H ARG 6 -9.286 -9.134 -7.312 43 HA ARG 6 HA ARG 6 -8.060 -6.588 -7.262 44 HB2 ARG 6 1HB ARG 6 -7.565 -8.400 -8.882 45 HB3 ARG 6 2HB ARG 6 -9.066 -8.035 -9.742 46 HG2 ARG 6 1HG ARG 6 -8.270 -5.741 -10.209 47 HG3 ARG 6 2HG ARG 6 -6.809 -6.021 -9.250 48 HD2 ARG 6 1HD ARG 6 -7.575 -7.537 -11.777 49 HD3 ARG 6 2HD ARG 6 -6.450 -6.175 -11.707 50 HE ARG 6 HE ARG 6 -5.223 -7.710 -9.937 51 HH11 ARG 6 1HH1 ARG 6 -6.754 -8.996 -12.873 52 HH12 ARG 6 2HH1 ARG 6 -5.617 -10.307 -12.974 53 HH21 ARG 6 1HH2 ARG 6 -3.718 -9.236 -10.246 54 HH22 ARG 6 2HH2 ARG 6 -3.922 -10.471 -11.473 55 H CYS 7 H CYS 7 -11.299 -7.410 -8.619 56 HA CYS 7 HA CYS 7 -12.002 -4.737 -9.368 57 HB2 CYS 7 1HB CYS 7 -13.149 -6.804 -10.125 58 HB3 CYS 7 2HB CYS 7 -13.816 -7.022 -8.506 59 H GLY 8 H GLY 8 -12.398 -6.403 -6.242 60 HA2 GLY 8 1HA GLY 8 -13.859 -4.308 -4.904 61 HA3 GLY 8 2HA GLY 8 -12.902 -5.596 -4.129 62 H LEU 9 H LEU 9 -10.335 -5.071 -5.043 63 HA LEU 9 HA LEU 9 -9.449 -2.831 -3.527 64 HB2 LEU 9 1HB LEU 9 -8.157 -4.911 -4.011 65 HB3 LEU 9 2HB LEU 9 -8.068 -4.461 -5.715 66 HG LEU 9 HG LEU 9 -6.800 -2.424 -5.117 67 HD11 LEU 9 1HD1 LEU 9 -7.601 -1.939 -2.882 68 HD12 LEU 9 2HD1 LEU 9 -7.041 -3.513 -2.289 69 HD13 LEU 9 3HD1 LEU 9 -5.867 -2.256 -2.771 70 HD21 LEU 9 3HD2 LEU 9 -4.711 -3.517 -4.607 71 HD22 LEU 9 1HD2 LEU 9 -5.554 -4.911 -3.894 72 HD23 LEU 9 2HD2 LEU 9 -5.656 -4.595 -5.643 73 H VAL 10 H VAL 10 -9.710 -3.190 -7.113 74 HA VAL 10 HA VAL 10 -8.904 -0.606 -7.873 75 HB VAL 10 HB VAL 10 -11.044 -2.426 -9.037 76 HG11 VAL 10 1HG1 VAL 10 -11.771 -0.277 -9.799 77 HG12 VAL 10 2HG1 VAL 10 -10.118 0.257 -10.117 78 HG13 VAL 10 3HG1 VAL 10 -10.864 -0.987 -11.133 79 HG21 VAL 10 3HG2 VAL 10 -9.421 -2.837 -10.800 80 HG22 VAL 10 1HG2 VAL 10 -8.296 -1.656 -10.099 81 HG23 VAL 10 2HG2 VAL 10 -8.658 -3.157 -9.242 82 H HIS 11 H HIS 11 -12.144 -1.640 -6.780 83 HA HIS 11 HA HIS 11 -13.376 0.973 -6.929 84 HB2 HIS 11 1HB HIS 11 -14.110 -1.564 -5.424 85 HB3 HIS 11 2HB HIS 11 -15.107 -0.123 -5.458 86 HD2 HIS 11 2HD HIS 11 -13.743 -0.426 -8.895 87 HE1 HIS 11 1HE HIS 11 -17.408 -2.587 -8.992 88 HE2 HIS 11 2HE HIS 11 -15.595 -1.529 -10.420 89 H GLU 12 H GLU 12 -11.894 -0.791 -4.195 90 HA GLU 12 HA GLU 12 -12.577 1.084 -2.167 91 HB2 GLU 12 1HB GLU 12 -11.585 -1.397 -2.144 92 HB3 GLU 12 2HB GLU 12 -10.046 -0.577 -2.052 93 HG2 GLU 12 1HG GLU 12 -10.906 -1.255 0.139 94 HG3 GLU 12 2HG GLU 12 -10.740 0.506 0.031 95 H LEU 13 H LEU 13 -9.729 0.867 -4.289 96 HA LEU 13 HA LEU 13 -8.396 3.198 -3.151 97 HB2 LEU 13 1HB LEU 13 -8.074 1.757 -5.796 98 HB3 LEU 13 2HB LEU 13 -6.923 2.918 -5.139 99 HG LEU 13 HG LEU 13 -7.631 0.286 -3.836 100 HD11 LEU 13 1HD1 LEU 13 -6.470 -0.032 -5.950 101 HD12 LEU 13 2HD1 LEU 13 -5.223 1.150 -5.469 102 HD13 LEU 13 3HD1 LEU 13 -5.367 -0.400 -4.605 103 HD21 LEU 13 3HD2 LEU 13 -5.670 0.674 -2.424 104 HD22 LEU 13 1HD2 LEU 13 -5.453 2.291 -3.159 105 HD23 LEU 13 2HD2 LEU 13 -6.889 1.925 -2.172 106 H ARG 14 H ARG 14 -10.486 2.713 -6.011 107 HA ARG 14 HA ARG 14 -10.465 5.414 -6.964 108 HB2 ARG 14 1HB ARG 14 -12.574 3.243 -7.038 109 HB3 ARG 14 2HB ARG 14 -12.900 4.850 -7.683 110 HG2 ARG 14 1HG ARG 14 -11.193 4.688 -9.340 111 HG3 ARG 14 2HG ARG 14 -10.522 3.215 -8.615 112 HD2 ARG 14 1HD ARG 14 -12.535 1.964 -9.104 113 HD3 ARG 14 2HD ARG 14 -13.340 3.422 -9.739 114 HE ARG 14 HE ARG 14 -10.959 3.022 -11.204 115 HH11 ARG 14 1HH1 ARG 14 -14.126 1.459 -10.830 116 HH12 ARG 14 2HH1 ARG 14 -13.955 0.579 -12.335 117 HH21 ARG 14 1HH2 ARG 14 -10.906 1.877 -13.212 118 HH22 ARG 14 2HH2 ARG 14 -12.247 0.835 -13.615 119 H LYS 15 H LYS 15 -12.502 3.936 -4.379 120 HA LYS 15 HA LYS 15 -13.931 6.261 -3.601 121 HB2 LYS 15 1HB LYS 15 -14.341 3.798 -3.116 122 HB3 LYS 15 2HB LYS 15 -13.012 3.869 -1.953 123 HG2 LYS 15 1HG LYS 15 -14.340 5.773 -0.832 124 HG3 LYS 15 2HG LYS 15 -15.690 5.254 -1.856 125 HD2 LYS 15 1HD LYS 15 -14.162 3.575 0.185 126 HD3 LYS 15 2HD LYS 15 -15.791 4.223 0.402 127 HE2 LYS 15 1HE LYS 15 -16.664 2.778 -1.368 128 HE3 LYS 15 2HE LYS 15 -15.031 2.240 -1.791 129 HZ1 LYS 15 3HZ LYS 15 -16.130 0.612 -0.392 130 HZ2 LYS 15 1HZ LYS 15 -14.826 1.221 0.379 131 HZ3 LYS 15 2HZ LYS 15 -16.337 1.704 0.813 132 H HIS 16 H HIS 16 -10.739 5.028 -2.600 133 HA HIS 16 HA HIS 16 -10.384 7.097 -0.569 134 HB2 HIS 16 1HB HIS 16 -8.673 4.749 -1.480 135 HB3 HIS 16 2HB HIS 16 -8.265 5.826 -0.143 136 HD2 HIS 16 2HD HIS 16 -8.423 3.103 0.845 137 HE1 HIS 16 1HE HIS 16 -12.500 3.579 1.920 138 HE2 HIS 16 2HE HIS 16 -10.452 2.136 2.238 139 H GLY 17 H GLY 17 -9.998 7.418 -3.804 140 HA2 GLY 17 1HA GLY 17 -9.288 9.419 -4.797 141 HA3 GLY 17 2HA GLY 17 -8.274 9.790 -3.385 142 H PHE 18 H PHE 18 -8.178 6.777 -5.306 143 HA PHE 18 HA PHE 18 -5.423 7.426 -6.250 144 HB2 PHE 18 1HB PHE 18 -6.989 4.864 -6.060 145 HB3 PHE 18 2HB PHE 18 -5.437 4.993 -6.864 146 HD1 PHE 18 2HD PHE 18 -6.985 5.792 -3.479 147 HD2 PHE 18 1HD PHE 18 -3.534 4.432 -5.662 148 HE1 PHE 18 2HE PHE 18 -5.790 5.477 -1.373 149 HE2 PHE 18 1HE PHE 18 -2.338 4.049 -3.523 150 HZ PHE 18 HZ PHE 18 -3.453 4.572 -1.371 151 H GLU 19 H GLU 19 -5.001 7.637 -8.437 152 HA GLU 19 HA GLU 19 -7.245 8.425 -10.079 153 HB2 GLU 19 1HB GLU 19 -4.313 8.162 -10.824 154 HB3 GLU 19 2HB GLU 19 -5.556 9.016 -11.739 155 HG2 GLU 19 1HG GLU 19 -4.527 9.780 -8.980 156 HG3 GLU 19 2HG GLU 19 -4.108 10.546 -10.504 157 H GLU 20 H GLU 20 -8.170 7.455 -11.835 158 HA GLU 20 HA GLU 20 -8.094 4.658 -12.074 159 HB2 GLU 20 1HB GLU 20 -9.568 4.907 -13.966 160 HB3 GLU 20 2HB GLU 20 -10.021 6.013 -12.672 161 HG2 GLU 20 1HG GLU 20 -8.885 7.883 -13.906 162 HG3 GLU 20 2HG GLU 20 -8.500 6.761 -15.213 163 H ASN 21 H ASN 21 -6.060 7.000 -13.770 164 HA ASN 21 HA ASN 21 -5.107 5.027 -15.714 165 HB2 ASN 21 1HB ASN 21 -3.779 6.751 -16.602 166 HB3 ASN 21 2HB ASN 21 -5.348 7.461 -16.251 167 HD21 ASN 21 2HD2 ASN 21 -2.424 8.552 -16.438 168 HD22 ASN 21 1HD2 ASN 21 -2.283 9.500 -14.967 169 H LEU 22 H LEU 22 -4.294 5.849 -12.454 170 HA LEU 22 HA LEU 22 -1.628 4.489 -12.626 171 HB2 LEU 22 1HB LEU 22 -2.962 5.966 -10.324 172 HB3 LEU 22 2HB LEU 22 -1.334 5.299 -10.334 173 HG LEU 22 HG LEU 22 -2.356 7.641 -11.963 174 HD11 LEU 22 1HD1 LEU 22 -1.946 8.098 -9.577 175 HD12 LEU 22 2HD1 LEU 22 -0.296 7.456 -9.731 176 HD13 LEU 22 3HD1 LEU 22 -0.766 8.935 -10.599 177 HD21 LEU 22 3HD2 LEU 22 -0.012 7.957 -12.732 178 HD22 LEU 22 1HD2 LEU 22 0.430 6.401 -12.002 179 HD23 LEU 22 2HD2 LEU 22 -0.716 6.465 -13.360 180 H MET 23 H MET 23 -4.906 3.903 -11.737 181 HA MET 23 HA MET 23 -4.837 2.176 -9.650 182 HB2 MET 23 1HB MET 23 -6.778 3.088 -11.049 183 HB3 MET 23 2HB MET 23 -6.563 1.724 -12.111 184 HG2 MET 23 1HG MET 23 -8.366 1.336 -10.461 185 HG3 MET 23 2HG MET 23 -7.062 0.172 -10.239 186 HE1 MET 23 3HE MET 23 -8.096 3.786 -7.600 187 HE2 MET 23 1HE MET 23 -6.839 4.033 -8.837 188 HE3 MET 23 2HE MET 23 -8.475 3.548 -9.312 189 H ARG 24 H ARG 24 -4.229 1.106 -13.039 190 HA ARG 24 HA ARG 24 -3.780 -1.626 -12.570 191 HB2 ARG 24 1HB ARG 24 -2.314 0.181 -14.546 192 HB3 ARG 24 2HB ARG 24 -2.386 -1.585 -14.591 193 HG2 ARG 24 1HG ARG 24 -4.885 -1.431 -14.823 194 HG3 ARG 24 2HG ARG 24 -4.725 0.333 -14.922 195 HD2 ARG 24 1HD ARG 24 -4.892 -0.433 -17.156 196 HD3 ARG 24 2HD ARG 24 -3.194 0.010 -16.908 197 HE ARG 24 HE ARG 24 -3.698 -2.789 -16.332 198 HH11 ARG 24 1HH1 ARG 24 -3.228 -0.639 -19.107 199 HH12 ARG 24 2HH1 ARG 24 -2.721 -1.941 -20.140 200 HH21 ARG 24 1HH2 ARG 24 -3.023 -4.406 -17.701 201 HH22 ARG 24 2HH2 ARG 24 -2.607 -4.049 -19.349 202 H ASN 25 H ASN 25 -1.343 1.035 -12.376 203 HA ASN 25 HA ASN 25 0.874 -0.621 -11.610 204 HB2 ASN 25 1HB ASN 25 0.327 2.334 -11.047 205 HB3 ASN 25 2HB ASN 25 1.821 1.495 -10.677 206 HD21 ASN 25 2HD2 ASN 25 3.005 2.962 -11.997 207 HD22 ASN 25 1HD2 ASN 25 2.959 2.797 -13.746 208 H TRP 26 H TRP 26 -1.524 1.239 -9.663 209 HA TRP 26 HA TRP 26 -0.402 0.602 -7.132 210 HB2 TRP 26 1HB TRP 26 -3.128 1.560 -8.044 211 HB3 TRP 26 2HB TRP 26 -2.791 1.210 -6.358 212 HD1 TRP 26 HD TRP 26 -2.672 4.027 -8.670 213 HE1 TRP 26 1HE TRP 26 -1.432 6.006 -7.629 214 HE3 TRP 26 3HE TRP 26 -0.277 1.571 -4.862 215 HZ2 TRP 26 2HZ TRP 26 0.189 6.512 -5.281 216 HZ3 TRP 26 3HZ TRP 26 1.103 2.829 -3.236 217 HH2 TRP 26 HH TRP 26 1.323 5.299 -3.418 218 H VAL 27 H VAL 27 -3.185 -1.031 -8.813 219 HA VAL 27 HA VAL 27 -3.407 -2.954 -6.681 220 HB VAL 27 HB VAL 27 -4.842 -4.293 -7.963 221 HG11 VAL 27 1HG1 VAL 27 -5.651 -2.073 -7.117 222 HG12 VAL 27 2HG1 VAL 27 -5.472 -1.432 -8.758 223 HG13 VAL 27 3HG1 VAL 27 -6.593 -2.765 -8.444 224 HG21 VAL 27 3HG2 VAL 27 -5.362 -3.902 -10.360 225 HG22 VAL 27 1HG2 VAL 27 -3.979 -2.788 -10.454 226 HG23 VAL 27 2HG2 VAL 27 -3.725 -4.508 -10.084 227 H CYS 28 H CYS 28 -1.428 -3.008 -9.665 228 HA CYS 28 HA CYS 28 -0.561 -5.735 -9.322 229 HB2 CYS 28 1HB CYS 28 -0.601 -4.294 -11.391 230 HB3 CYS 28 2HB CYS 28 0.851 -3.495 -10.816 231 H LEU 29 H LEU 29 0.750 -2.651 -8.165 232 HA LEU 29 HA LEU 29 3.103 -3.654 -6.844 233 HB2 LEU 29 1HB LEU 29 2.720 -1.337 -7.463 234 HB3 LEU 29 2HB LEU 29 1.315 -1.207 -6.430 235 HG LEU 29 HG LEU 29 4.136 -1.643 -5.366 236 HD11 LEU 29 1HD1 LEU 29 3.950 0.475 -6.658 237 HD12 LEU 29 2HD1 LEU 29 2.514 0.926 -5.713 238 HD13 LEU 29 3HD1 LEU 29 4.099 0.800 -4.930 239 HD21 LEU 29 3HD2 LEU 29 3.129 -0.623 -3.277 240 HD22 LEU 29 1HD2 LEU 29 1.529 -0.782 -4.021 241 HD23 LEU 29 2HD2 LEU 29 2.508 -2.221 -3.646 242 H VAL 30 H VAL 30 -0.173 -2.886 -5.562 243 HA VAL 30 HA VAL 30 0.278 -3.867 -2.950 244 HB VAL 30 HB VAL 30 -2.237 -3.502 -4.592 245 HG11 VAL 30 1HG1 VAL 30 -2.858 -5.258 -3.025 246 HG12 VAL 30 2HG1 VAL 30 -2.105 -4.368 -1.685 247 HG13 VAL 30 3HG1 VAL 30 -3.554 -3.732 -2.500 248 HG21 VAL 30 3HG2 VAL 30 -2.574 -1.578 -3.105 249 HG22 VAL 30 1HG2 VAL 30 -1.148 -2.030 -2.145 250 HG23 VAL 30 2HG2 VAL 30 -0.958 -1.479 -3.817 251 H GLU 31 H GLU 31 -0.976 -5.665 -5.807 252 HA GLU 31 HA GLU 31 -1.400 -8.140 -4.471 253 HB2 GLU 31 1HB GLU 31 -0.776 -7.373 -7.350 254 HB3 GLU 31 2HB GLU 31 -0.941 -9.070 -6.880 255 HG2 GLU 31 1HG GLU 31 -3.170 -8.784 -6.110 256 HG3 GLU 31 2HG GLU 31 -3.093 -7.025 -6.254 257 H HIS 32 H HIS 32 1.678 -6.715 -5.646 258 HA HIS 32 HA HIS 32 3.114 -9.232 -5.136 259 HB2 HIS 32 1HB HIS 32 3.559 -7.424 -6.959 260 HB3 HIS 32 2HB HIS 32 4.419 -6.564 -5.684 261 HD2 HIS 32 2HD HIS 32 4.453 -9.811 -7.745 262 HE1 HIS 32 1HE HIS 32 8.207 -9.680 -5.739 263 HE2 HIS 32 2HE HIS 32 6.820 -10.938 -7.475 264 H GLU 33 H GLU 33 2.542 -6.177 -3.452 265 HA GLU 33 HA GLU 33 4.596 -6.644 -1.430 266 HB2 GLU 33 1HB GLU 33 2.354 -4.611 -1.668 267 HB3 GLU 33 2HB GLU 33 3.448 -4.669 -0.296 268 HG2 GLU 33 1HG GLU 33 4.271 -4.224 -3.194 269 HG3 GLU 33 2HG GLU 33 4.131 -2.986 -1.952 270 H SER 34 H SER 34 0.943 -6.621 -1.198 271 HA SER 34 HA SER 34 1.229 -8.280 1.290 272 HB2 SER 34 1HB SER 34 -0.837 -7.274 2.007 273 HB3 SER 34 2HB SER 34 0.306 -5.993 1.586 274 HG SER 34 HG SER 34 -1.014 -5.351 0.084 275 H SER 35 H SER 35 0.206 -8.537 -1.929 276 HA SER 35 HA SER 35 -1.183 -9.897 -3.100 277 HB2 SER 35 1HB SER 35 -1.492 -11.655 -0.659 278 HB3 SER 35 2HB SER 35 -1.853 -12.047 -2.341 279 HG SER 35 HG SER 35 0.742 -11.396 -1.330 280 H ARG 36 H ARG 36 -2.219 -7.592 -1.528 281 HA ARG 36 HA ARG 36 -4.164 -6.511 -1.311 282 HB2 ARG 36 1HB ARG 36 -5.793 -8.856 -2.307 283 HB3 ARG 36 2HB ARG 36 -6.157 -7.136 -2.370 284 HG2 ARG 36 1HG ARG 36 -4.197 -6.904 -4.001 285 HG3 ARG 36 2HG ARG 36 -4.138 -8.657 -4.057 286 HD2 ARG 36 1HD ARG 36 -6.640 -7.052 -4.723 287 HD3 ARG 36 2HD ARG 36 -5.480 -7.609 -5.920 288 HE ARG 36 HE ARG 36 -7.072 -9.383 -4.101 289 HH11 ARG 36 1HH1 ARG 36 -5.588 -9.001 -7.343 290 HH12 ARG 36 2HH1 ARG 36 -6.029 -10.627 -7.770 291 HH21 ARG 36 1HH2 ARG 36 -7.521 -11.430 -4.748 292 HH22 ARG 36 2HH2 ARG 36 -7.144 -11.956 -6.360 293 H ASP 37 H ASP 37 -3.074 -8.082 0.840 294 HA ASP 37 HA ASP 37 -5.514 -8.764 2.459 295 HB2 ASP 37 1HB ASP 37 -4.199 -10.770 1.857 296 HB3 ASP 37 2HB ASP 37 -2.756 -10.032 2.540 297 H THR 38 H THR 38 -5.867 -7.328 4.065 298 HA THR 38 HA THR 38 -3.841 -5.397 4.806 299 HB THR 38 HB THR 38 -5.329 -4.613 6.555 300 HG1 THR 38 1HG THR 38 -7.251 -5.523 6.915 301 HG21 THR 38 3HG2 THR 38 -7.261 -3.946 5.196 302 HG22 THR 38 1HG2 THR 38 -5.739 -3.773 4.311 303 HG23 THR 38 2HG2 THR 38 -6.828 -5.144 3.962 304 H SER 39 H SER 39 -4.722 -8.536 6.108 305 HA SER 39 HA SER 39 -3.504 -8.204 8.697 306 HB2 SER 39 1HB SER 39 -4.203 -10.705 7.117 307 HB3 SER 39 2HB SER 39 -3.778 -10.653 8.829 308 HG SER 39 HG SER 39 -6.049 -10.695 8.491 309 H LYS 40 H LYS 40 -1.931 -8.375 5.714 310 HA LYS 40 HA LYS 40 0.073 -10.330 6.350 311 HB2 LYS 40 1HB LYS 40 -0.844 -9.553 4.045 312 HB3 LYS 40 2HB LYS 40 0.245 -8.194 4.200 313 HG2 LYS 40 1HG LYS 40 1.417 -9.794 2.903 314 HG3 LYS 40 2HG LYS 40 2.163 -9.874 4.477 315 HD2 LYS 40 1HD LYS 40 1.877 -12.106 3.574 316 HD3 LYS 40 2HD LYS 40 0.826 -11.940 4.983 317 HE2 LYS 40 1HE LYS 40 -1.115 -11.498 3.473 318 HE3 LYS 40 2HE LYS 40 -0.055 -11.636 2.068 319 HZ1 LYS 40 3HZ LYS 40 -1.240 -13.701 2.498 320 HZ2 LYS 40 1HZ LYS 40 0.361 -13.954 2.709 321 HZ3 LYS 40 2HZ LYS 40 -0.630 -13.812 4.007 322 H THR 41 H THR 41 2.188 -10.152 6.875 323 HA THR 41 HA THR 41 3.488 -7.569 7.427 324 HB THR 41 HB THR 41 4.401 -8.607 9.617 325 HG1 THR 41 1HG THR 41 2.944 -10.050 10.612 326 HG21 THR 41 3HG2 THR 41 2.601 -7.754 11.015 327 HG22 THR 41 1HG2 THR 41 2.967 -6.649 9.702 328 HG23 THR 41 2HG2 THR 41 1.510 -7.673 9.606 329 H ASN 42 H ASN 42 5.686 -7.622 7.556 330 HA ASN 42 HA ASN 42 7.168 -10.116 6.964 331 HB2 ASN 42 1HB ASN 42 6.945 -7.720 5.100 332 HB3 ASN 42 2HB ASN 42 8.353 -8.767 5.089 333 HD21 ASN 42 2HD2 ASN 42 5.067 -8.449 4.017 334 HD22 ASN 42 1HD2 ASN 42 5.005 -10.004 3.190 335 H THR 43 H THR 43 9.002 -10.154 8.120 336 HA THR 43 HA THR 43 9.901 -7.721 9.567 337 HB THR 43 HB THR 43 10.751 -10.612 9.952 338 HG1 THR 43 1HG THR 43 9.174 -10.652 11.520 339 HG21 THR 43 3HG2 THR 43 11.311 -9.784 12.252 340 HG22 THR 43 1HG2 THR 43 12.294 -9.004 11.008 341 HG23 THR 43 2HG2 THR 43 10.927 -8.128 11.732 342 H ASN 44 H ASN 44 11.870 -6.829 9.388 343 HA ASN 44 HA ASN 44 13.516 -7.580 7.023 344 HB2 ASN 44 1HB ASN 44 13.392 -4.999 8.638 345 HB3 ASN 44 2HB ASN 44 14.333 -5.260 7.175 346 HD21 ASN 44 2HD2 ASN 44 11.118 -4.793 8.466 347 HD22 ASN 44 1HD2 ASN 44 10.334 -4.432 6.912 348 H ARG 45 H ARG 45 15.829 -7.387 7.155 349 HA ARG 45 HA ARG 45 17.061 -8.723 9.367 350 HB2 ARG 45 1HB ARG 45 18.380 -7.066 7.173 351 HB3 ARG 45 2HB ARG 45 19.189 -8.214 8.249 352 HG2 ARG 45 1HG ARG 45 17.699 -10.042 7.333 353 HG3 ARG 45 2HG ARG 45 17.037 -8.860 6.194 354 HD2 ARG 45 1HD ARG 45 18.698 -10.120 5.026 355 HD3 ARG 45 2HD ARG 45 19.336 -8.487 5.282 356 HE ARG 45 HE ARG 45 20.122 -10.285 7.410 357 HH11 ARG 45 1HH1 ARG 45 20.966 -9.520 4.060 358 HH12 ARG 45 2HH1 ARG 45 22.596 -10.095 4.244 359 HH21 ARG 45 1HH2 ARG 45 22.239 -11.000 7.582 360 HH22 ARG 45 2HH2 ARG 45 23.301 -10.925 6.209 361 H ASN 46 H ASN 46 16.550 -5.343 8.756 362 HA ASN 46 HA ASN 46 18.272 -4.137 10.685 363 HB2 ASN 46 1HB ASN 46 17.215 -2.860 8.936 364 HB3 ASN 46 2HB ASN 46 15.603 -3.379 9.428 365 HD21 ASN 46 2HD2 ASN 46 18.235 -1.123 10.144 366 HD22 ASN 46 1HD2 ASN 46 17.323 -0.195 11.319 367 H GLY 47 H GLY 47 15.251 -5.901 11.135 368 HA2 GLY 47 1HA GLY 47 14.370 -6.606 13.232 369 HA3 GLY 47 2HA GLY 47 15.114 -5.206 14.043 370 H SER 48 H SER 48 13.925 -3.727 11.409 371 HA SER 48 HA SER 48 11.376 -2.907 12.545 372 HB2 SER 48 1HB SER 48 11.147 -1.627 10.495 373 HB3 SER 48 2HB SER 48 12.681 -1.342 11.307 374 HG SER 48 HG SER 48 13.205 -1.628 9.171 375 H LYS 49 H LYS 49 9.338 -3.119 11.375 376 HA LYS 49 HA LYS 49 9.066 -5.541 9.655 377 HB2 LYS 49 1HB LYS 49 8.520 -5.969 12.134 378 HB3 LYS 49 2HB LYS 49 7.109 -4.945 11.887 379 HG2 LYS 49 1HG LYS 49 6.354 -6.473 10.043 380 HG3 LYS 49 2HG LYS 49 7.723 -7.525 10.412 381 HD2 LYS 49 1HD LYS 49 5.401 -6.841 12.257 382 HD3 LYS 49 2HD LYS 49 5.661 -8.368 11.400 383 HE2 LYS 49 1HE LYS 49 7.783 -8.710 12.650 384 HE3 LYS 49 2HE LYS 49 7.471 -7.216 13.549 385 HZ1 LYS 49 3HZ LYS 49 6.736 -9.157 14.792 386 HZ2 LYS 49 1HZ LYS 49 5.443 -8.234 14.417 387 HZ3 LYS 49 2HZ LYS 49 5.732 -9.619 13.592 388 H ASP 50 H ASP 50 7.415 -5.549 8.239 389 HA ASP 50 HA ASP 50 6.290 -2.924 7.441 390 HB2 ASP 50 1HB ASP 50 6.411 -5.558 5.924 391 HB3 ASP 50 2HB ASP 50 5.994 -3.979 5.287 392 H TYR 51 H TYR 51 4.086 -2.630 7.276 393 HA TYR 51 HA TYR 51 2.230 -4.829 8.133 394 HB2 TYR 51 1HB TYR 51 2.423 -1.942 9.079 395 HB3 TYR 51 2HB TYR 51 1.146 -3.059 9.528 396 HD1 TYR 51 2HD TYR 51 4.736 -2.230 9.925 397 HD2 TYR 51 1HD TYR 51 1.482 -4.714 11.247 398 HE1 TYR 51 2HE TYR 51 6.046 -2.872 11.918 399 HE2 TYR 51 1HE TYR 51 2.775 -5.343 13.281 400 HH TYR 51 HH TYR 51 6.057 -4.037 13.924 401 H GLY 52 H GLY 52 0.124 -4.786 7.387 402 HA2 GLY 52 1HA GLY 52 -1.822 -3.980 6.411 403 HA3 GLY 52 2HA GLY 52 -1.053 -2.397 6.238 404 H LEU 53 H LEU 53 -2.555 -2.713 4.277 405 HA LEU 53 HA LEU 53 -1.882 -4.606 2.335 406 HB2 LEU 53 1HB LEU 53 -3.959 -2.797 2.726 407 HB3 LEU 53 2HB LEU 53 -3.087 -1.965 1.451 408 HG LEU 53 HG LEU 53 -3.154 -4.393 0.290 409 HD11 LEU 53 1HD1 LEU 53 -4.177 -5.469 2.241 410 HD12 LEU 53 2HD1 LEU 53 -5.588 -4.388 2.114 411 HD13 LEU 53 3HD1 LEU 53 -5.264 -5.544 0.831 412 HD21 LEU 53 3HD2 LEU 53 -5.218 -3.829 -0.813 413 HD22 LEU 53 1HD2 LEU 53 -5.592 -2.604 0.435 414 HD23 LEU 53 2HD2 LEU 53 -4.199 -2.376 -0.653 415 H PHE 54 H PHE 54 -0.361 -1.536 2.759 416 HA PHE 54 HA PHE 54 1.105 -1.832 0.175 417 HB2 PHE 54 1HB PHE 54 0.887 0.528 2.071 418 HB3 PHE 54 2HB PHE 54 1.760 0.516 0.553 419 HD1 PHE 54 2HD PHE 54 -1.635 0.336 2.067 420 HD2 PHE 54 1HD PHE 54 0.637 0.846 -1.559 421 HE1 PHE 54 2HE PHE 54 -3.683 1.064 0.900 422 HE2 PHE 54 1HE PHE 54 -1.417 1.614 -2.719 423 HZ PHE 54 HZ PHE 54 -3.581 1.720 -1.503 424 H GLN 55 H GLN 55 1.503 -3.114 3.117 425 HA GLN 55 HA GLN 55 3.184 -3.694 4.490 426 HB2 GLN 55 1HB GLN 55 4.596 -3.804 1.795 427 HB3 GLN 55 2HB GLN 55 5.296 -4.461 3.263 428 HG2 GLN 55 1HG GLN 55 2.683 -5.376 2.010 429 HG3 GLN 55 2HG GLN 55 4.241 -6.205 1.975 430 HE21 GLN 55 2HE2 GLN 55 1.357 -5.595 3.941 431 HE22 GLN 55 1HE2 GLN 55 1.900 -6.530 5.309 432 H ILE 56 H ILE 56 2.883 -1.400 5.240 433 HA ILE 56 HA ILE 56 5.050 0.501 4.643 434 HB ILE 56 HB ILE 56 2.707 0.823 6.568 435 HG12 ILE 56 1HG1 ILE 56 2.932 1.389 3.567 436 HG13 ILE 56 2HG1 ILE 56 1.784 0.279 4.342 437 HG21 ILE 56 1HG2 ILE 56 4.585 2.393 6.812 438 HG22 ILE 56 2HG2 ILE 56 4.393 2.876 5.107 439 HG23 ILE 56 3HG2 ILE 56 3.108 3.185 6.305 440 HD11 ILE 56 3HD1 ILE 56 0.523 2.165 3.726 441 HD12 ILE 56 1HD1 ILE 56 0.760 2.326 5.481 442 HD13 ILE 56 2HD1 ILE 56 1.738 3.290 4.339 443 H ASN 57 H ASN 57 6.719 1.018 6.001 444 HA ASN 57 HA ASN 57 7.210 -0.957 8.108 445 HB2 ASN 57 1HB ASN 57 8.742 -0.621 6.216 446 HB3 ASN 57 2HB ASN 57 9.044 1.031 6.777 447 HD21 ASN 57 2HD2 ASN 57 9.786 -2.352 7.242 448 HD22 ASN 57 1HD2 ASN 57 11.017 -2.088 8.482 449 H ASP 58 H ASP 58 7.543 -0.615 10.168 450 HA ASP 58 HA ASP 58 6.505 1.628 11.474 451 HB2 ASP 58 1HB ASP 58 6.950 0.581 13.471 452 HB3 ASP 58 2HB ASP 58 6.655 -0.724 12.331 453 H ARG 59 H ARG 59 9.688 1.393 10.251 454 HA ARG 59 HA ARG 59 10.915 3.217 12.210 455 HB2 ARG 59 1HB ARG 59 12.013 1.197 11.245 456 HB3 ARG 59 2HB ARG 59 12.069 2.015 9.678 457 HG2 ARG 59 1HG ARG 59 13.536 3.722 10.518 458 HG3 ARG 59 2HG ARG 59 13.325 3.188 12.193 459 HD2 ARG 59 1HD ARG 59 14.450 1.370 10.029 460 HD3 ARG 59 2HD ARG 59 15.490 2.487 10.922 461 HE ARG 59 HE ARG 59 14.465 -0.043 11.792 462 HH11 ARG 59 1HH1 ARG 59 15.399 3.084 13.168 463 HH12 ARG 59 2HH1 ARG 59 15.906 2.358 14.664 464 HH21 ARG 59 1HH2 ARG 59 15.162 -0.896 13.672 465 HH22 ARG 59 2HH2 ARG 59 15.735 0.122 14.965 466 H TYR 60 H TYR 60 9.201 3.529 9.220 467 HA TYR 60 HA TYR 60 10.452 6.210 8.659 468 HB2 TYR 60 1HB TYR 60 9.464 4.114 6.709 469 HB3 TYR 60 2HB TYR 60 10.197 5.646 6.282 470 HD1 TYR 60 2HD TYR 60 12.605 5.906 7.864 471 HD2 TYR 60 1HD TYR 60 10.858 2.324 6.219 472 HE1 TYR 60 2HE TYR 60 14.808 4.765 8.007 473 HE2 TYR 60 1HE TYR 60 13.053 1.175 6.373 474 HH TYR 60 HH TYR 60 15.268 1.354 6.984 475 H TRP 61 H TRP 61 7.323 4.467 8.526 476 HA TRP 61 HA TRP 61 6.025 7.079 7.775 477 HB2 TRP 61 1HB TRP 61 5.411 4.388 6.602 478 HB3 TRP 61 2HB TRP 61 4.750 5.926 6.097 479 HD1 TRP 61 HD TRP 61 7.097 3.436 5.062 480 HE1 TRP 61 1HE TRP 61 8.777 4.298 3.326 481 HE3 TRP 61 3HE TRP 61 6.244 8.461 5.548 482 HZ2 TRP 61 2HZ TRP 61 9.504 6.839 2.150 483 HZ3 TRP 61 3HZ TRP 61 7.321 10.066 4.008 484 HH2 TRP 61 HH TRP 61 8.970 9.275 2.315 485 H CYS 62 H CYS 62 5.334 3.766 9.073 486 HA CYS 62 HA CYS 62 3.170 5.014 10.727 487 HB2 CYS 62 1HB CYS 62 2.464 2.640 11.124 488 HB3 CYS 62 2HB CYS 62 2.202 3.254 9.505 489 H SER 63 H SER 63 2.978 4.117 12.940 490 HA SER 63 HA SER 63 5.658 3.644 14.206 491 HB2 SER 63 1HB SER 63 4.151 5.813 14.551 492 HB3 SER 63 2HB SER 63 3.313 4.769 15.695 493 HG SER 63 HG SER 63 5.001 5.733 16.817 494 H LYS 64 H LYS 64 5.921 2.040 15.659 495 HA LYS 64 HA LYS 64 3.849 -0.067 15.708 496 HB2 LYS 64 1HB LYS 64 5.636 -1.503 16.559 497 HB3 LYS 64 2HB LYS 64 6.011 -0.774 15.010 498 HG2 LYS 64 1HG LYS 64 7.663 0.623 15.892 499 HG3 LYS 64 2HG LYS 64 6.936 0.672 17.499 500 HD2 LYS 64 1HD LYS 64 7.613 -1.558 18.015 501 HD3 LYS 64 2HD LYS 64 8.258 -1.836 16.378 502 HE2 LYS 64 1HE LYS 64 9.170 0.552 17.970 503 HE3 LYS 64 2HE LYS 64 9.812 -1.035 18.433 504 HZ1 LYS 64 3HZ LYS 64 11.186 0.196 16.750 505 HZ2 LYS 64 1HZ LYS 64 10.745 -1.304 16.273 506 HZ3 LYS 64 2HZ LYS 64 9.980 -0.013 15.647 507 H GLY 65 H GLY 65 4.657 2.366 17.877 508 HA2 GLY 65 1HA GLY 65 4.335 0.897 20.391 509 HA3 GLY 65 2HA GLY 65 4.405 2.652 20.182 510 H ALA 66 H ALA 66 2.688 2.468 21.901 511 HA ALA 66 HA ALA 66 0.067 1.428 21.206 512 HB1 ALA 66 1HB ALA 66 0.979 1.466 23.513 513 HB2 ALA 66 2HB ALA 66 0.967 3.247 23.488 514 HB3 ALA 66 3HB ALA 66 -0.558 2.341 23.405 515 H SER 67 H SER 67 1.526 4.177 20.050 516 HA SER 67 HA SER 67 -1.034 5.556 19.454 517 HB2 SER 67 1HB SER 67 1.414 6.842 20.731 518 HB3 SER 67 2HB SER 67 0.066 7.741 20.023 519 HG SER 67 HG SER 67 -0.143 7.485 22.312 520 HA PRO 68 HA PRO 68 1.128 6.266 15.524 521 HB2 PRO 68 1HB PRO 68 -0.241 8.402 14.535 522 HB3 PRO 68 2HB PRO 68 -0.990 6.777 14.679 523 HG2 PRO 68 1HG PRO 68 -1.223 9.098 16.617 524 HG3 PRO 68 2HG PRO 68 -2.543 8.118 15.898 525 HD2 PRO 68 1HD PRO 68 -1.528 7.571 18.359 526 HD3 PRO 68 2HD PRO 68 -2.027 6.257 17.252 527 H GLY 69 H GLY 69 2.517 7.984 14.501 528 HA2 GLY 69 1HA GLY 69 3.235 10.447 15.523 529 HA3 GLY 69 2HA GLY 69 4.081 9.337 16.587 530 H LYS 70 H LYS 70 3.575 10.186 13.212 531 HA LYS 70 HA LYS 70 6.393 9.991 12.456 532 HB2 LYS 70 1HB LYS 70 4.252 8.149 11.280 533 HB3 LYS 70 2HB LYS 70 5.782 8.458 10.468 534 HG2 LYS 70 1HG LYS 70 5.447 7.077 13.122 535 HG3 LYS 70 2HG LYS 70 5.767 6.342 11.561 536 HD2 LYS 70 1HD LYS 70 7.937 7.343 11.392 537 HD3 LYS 70 2HD LYS 70 7.715 8.260 12.888 538 HE2 LYS 70 1HE LYS 70 7.648 5.212 12.751 539 HE3 LYS 70 2HE LYS 70 9.117 6.142 13.051 540 HZ1 LYS 70 3HZ LYS 70 8.168 5.493 15.138 541 HZ2 LYS 70 1HZ LYS 70 8.004 7.116 15.012 542 HZ3 LYS 70 2HZ LYS 70 6.712 6.140 14.798 543 H ASP 71 H ASP 71 6.440 10.378 9.928 544 HA ASP 71 HA ASP 71 5.329 12.947 9.354 545 HB2 ASP 71 1HB ASP 71 7.396 11.953 8.360 546 HB3 ASP 71 2HB ASP 71 6.389 10.857 7.413 547 H CYS 72 H CYS 72 4.025 9.724 8.773 548 HA CYS 72 HA CYS 72 1.678 10.817 7.297 549 HB2 CYS 72 1HB CYS 72 2.385 7.939 7.890 550 HB3 CYS 72 2HB CYS 72 1.174 8.532 6.768 551 H ASN 73 H ASN 73 2.453 10.411 10.515 552 HA ASN 73 HA ASN 73 1.320 10.213 12.448 553 HB2 ASN 73 1HB ASN 73 0.700 12.418 11.466 554 HB3 ASN 73 2HB ASN 73 -0.785 11.700 10.839 555 HD21 ASN 73 2HD2 ASN 73 -2.065 13.190 12.131 556 HD22 ASN 73 1HD2 ASN 73 -2.204 12.965 13.866 557 H VAL 74 H VAL 74 1.222 7.781 11.630 558 HA VAL 74 HA VAL 74 -1.462 6.748 12.272 559 HB VAL 74 HB VAL 74 -1.395 7.127 9.815 560 HG11 VAL 74 1HG1 VAL 74 1.010 6.663 9.389 561 HG12 VAL 74 2HG1 VAL 74 0.726 4.944 9.739 562 HG13 VAL 74 3HG1 VAL 74 -0.060 5.707 8.350 563 HG21 VAL 74 3HG2 VAL 74 -2.331 5.006 9.188 564 HG22 VAL 74 1HG2 VAL 74 -1.563 4.193 10.564 565 HG23 VAL 74 2HG2 VAL 74 -2.837 5.404 10.839 566 H LYS 75 H LYS 75 -1.530 4.648 12.987 567 HA LYS 75 HA LYS 75 1.000 3.607 14.133 568 HB2 LYS 75 1HB LYS 75 -1.108 4.334 15.421 569 HB3 LYS 75 2HB LYS 75 -1.856 2.858 14.795 570 HG2 LYS 75 1HG LYS 75 -0.098 1.509 15.921 571 HG3 LYS 75 2HG LYS 75 0.665 3.005 16.487 572 HD2 LYS 75 1HD LYS 75 -0.598 2.083 18.289 573 HD3 LYS 75 2HD LYS 75 -1.398 3.559 17.790 574 HE2 LYS 75 1HE LYS 75 -2.335 0.946 16.597 575 HE3 LYS 75 2HE LYS 75 -2.629 1.204 18.317 576 HZ1 LYS 75 3HZ LYS 75 -4.499 1.971 17.018 577 HZ2 LYS 75 1HZ LYS 75 -3.818 3.251 17.768 578 HZ3 LYS 75 2HZ LYS 75 -3.601 3.003 16.154 579 H CYS 76 H CYS 76 1.804 1.602 13.591 580 HA CYS 76 HA CYS 76 1.261 0.196 11.242 581 HB2 CYS 76 1HB CYS 76 2.290 -0.922 13.884 582 HB3 CYS 76 2HB CYS 76 2.509 -1.648 12.297 583 H SER 77 H SER 77 -0.224 -0.496 14.501 584 HA SER 77 HA SER 77 -1.627 -2.784 13.744 585 HB2 SER 77 1HB SER 77 -2.820 -1.380 15.930 586 HB3 SER 77 2HB SER 77 -1.733 -2.790 15.942 587 HG SER 77 HG SER 77 -0.828 -1.219 17.214 588 H ASP 78 H ASP 78 -2.487 0.630 13.210 589 HA ASP 78 HA ASP 78 -5.332 0.014 12.748 590 HB2 ASP 78 1HB ASP 78 -3.697 2.519 12.197 591 HB3 ASP 78 2HB ASP 78 -5.434 2.358 11.961 592 H LEU 79 H LEU 79 -2.465 -0.496 11.013 593 HA LEU 79 HA LEU 79 -3.706 -0.220 8.342 594 HB2 LEU 79 1HB LEU 79 -1.030 -1.500 8.943 595 HB3 LEU 79 2HB LEU 79 -1.610 -0.761 7.456 596 HG LEU 79 HG LEU 79 -0.735 0.679 9.982 597 HD11 LEU 79 1HD1 LEU 79 1.074 -0.173 8.574 598 HD12 LEU 79 2HD1 LEU 79 0.344 0.569 7.137 599 HD13 LEU 79 3HD1 LEU 79 0.988 1.590 8.437 600 HD21 LEU 79 3HD2 LEU 79 -1.074 2.783 8.678 601 HD22 LEU 79 1HD2 LEU 79 -1.916 1.837 7.441 602 HD23 LEU 79 2HD2 LEU 79 -2.596 1.970 9.075 603 H LEU 80 H LEU 80 -3.521 -2.599 10.799 604 HA LEU 80 HA LEU 80 -3.814 -4.915 8.990 605 HB2 LEU 80 1HB LEU 80 -3.689 -4.776 12.022 606 HB3 LEU 80 2HB LEU 80 -3.616 -6.237 11.042 607 HG LEU 80 HG LEU 80 -1.513 -4.045 11.143 608 HD11 LEU 80 1HD1 LEU 80 -1.638 -5.477 13.154 609 HD12 LEU 80 2HD1 LEU 80 -1.528 -6.932 12.138 610 HD13 LEU 80 3HD1 LEU 80 -0.159 -5.814 12.245 611 HD21 LEU 80 3HD2 LEU 80 -0.119 -5.604 9.770 612 HD22 LEU 80 1HD2 LEU 80 -1.548 -6.630 9.526 613 HD23 LEU 80 2HD2 LEU 80 -1.511 -4.967 8.893 614 H THR 81 H THR 81 -5.965 -2.711 9.900 615 HA THR 81 HA THR 81 -8.095 -4.397 11.006 616 HB THR 81 HB THR 81 -7.537 -2.112 11.807 617 HG1 THR 81 1HG THR 81 -9.690 -1.677 12.170 618 HG21 THR 81 3HG2 THR 81 -8.221 -0.168 10.677 619 HG22 THR 81 1HG2 THR 81 -7.347 -1.087 9.445 620 HG23 THR 81 2HG2 THR 81 -9.119 -1.072 9.430 621 H ASP 82 H ASP 82 -10.345 -3.512 9.998 622 HA ASP 82 HA ASP 82 -10.475 -5.032 7.464 623 HB2 ASP 82 1HB ASP 82 -12.695 -4.065 9.299 624 HB3 ASP 82 2HB ASP 82 -12.858 -5.212 7.969 625 H ASP 83 H ASP 83 -9.622 -2.181 7.632 626 HA ASP 83 HA ASP 83 -11.014 -1.145 5.262 627 HB2 ASP 83 1HB ASP 83 -12.425 -0.082 6.823 628 HB3 ASP 83 2HB ASP 83 -11.108 0.200 7.965 629 H ILE 84 H ILE 84 -9.532 -0.463 3.926 630 HA ILE 84 HA ILE 84 -6.741 -0.554 4.713 631 HB ILE 84 HB ILE 84 -6.237 -0.559 2.399 632 HG12 ILE 84 1HG1 ILE 84 -9.070 0.399 1.796 633 HG13 ILE 84 2HG1 ILE 84 -7.614 1.390 1.738 634 HG21 ILE 84 1HG2 ILE 84 -7.483 -2.569 3.329 635 HG22 ILE 84 2HG2 ILE 84 -8.943 -1.957 2.551 636 HG23 ILE 84 3HG2 ILE 84 -7.543 -2.417 1.572 637 HD11 ILE 84 3HD1 ILE 84 -8.226 0.793 -0.487 638 HD12 ILE 84 1HD1 ILE 84 -6.684 0.016 -0.069 639 HD13 ILE 84 2HD1 ILE 84 -8.194 -0.938 -0.104 640 H THR 85 H THR 85 -8.891 2.113 4.621 641 HA THR 85 HA THR 85 -7.289 3.967 3.249 642 HB THR 85 HB THR 85 -9.783 4.034 3.909 643 HG1 THR 85 1HG THR 85 -9.718 6.019 3.105 644 HG21 THR 85 3HG2 THR 85 -10.379 5.601 5.609 645 HG22 THR 85 1HG2 THR 85 -9.370 4.359 6.369 646 HG23 THR 85 2HG2 THR 85 -8.679 5.954 5.993 647 H LYS 86 H LYS 86 -6.925 3.074 6.629 648 HA LYS 86 HA LYS 86 -5.204 5.312 7.312 649 HB2 LYS 86 1HB LYS 86 -5.537 2.510 8.456 650 HB3 LYS 86 2HB LYS 86 -4.279 3.600 9.003 651 HG2 LYS 86 1HG LYS 86 -5.946 3.979 10.547 652 HG3 LYS 86 2HG LYS 86 -6.025 5.358 9.477 653 HD2 LYS 86 1HD LYS 86 -8.233 4.625 10.113 654 HD3 LYS 86 2HD LYS 86 -8.032 4.395 8.374 655 HE2 LYS 86 1HE LYS 86 -7.650 1.968 8.726 656 HE3 LYS 86 2HE LYS 86 -7.677 2.205 10.476 657 HZ1 LYS 86 3HZ LYS 86 -9.816 1.414 9.712 658 HZ2 LYS 86 1HZ LYS 86 -10.008 2.944 10.250 659 HZ3 LYS 86 2HZ LYS 86 -9.983 2.632 8.640 660 H ALA 87 H ALA 87 -4.621 2.305 5.552 661 HA ALA 87 HA ALA 87 -1.702 2.807 5.395 662 HB1 ALA 87 1HB ALA 87 -2.705 0.480 5.652 663 HB2 ALA 87 2HB ALA 87 -3.366 0.655 4.015 664 HB3 ALA 87 3HB ALA 87 -1.606 0.687 4.283 665 H ALA 88 H ALA 88 -4.608 2.937 3.300 666 HA ALA 88 HA ALA 88 -3.217 3.598 0.923 667 HB1 ALA 88 1HB ALA 88 -5.619 2.718 1.257 668 HB2 ALA 88 2HB ALA 88 -6.075 4.425 1.527 669 HB3 ALA 88 3HB ALA 88 -5.350 3.916 -0.004 670 H LYS 89 H LYS 89 -4.693 5.861 3.338 671 HA LYS 89 HA LYS 89 -3.945 8.263 1.925 672 HB2 LYS 89 1HB LYS 89 -4.446 7.648 4.859 673 HB3 LYS 89 2HB LYS 89 -4.176 9.282 4.233 674 HG2 LYS 89 1HG LYS 89 -6.152 9.152 2.816 675 HG3 LYS 89 2HG LYS 89 -6.441 7.469 3.280 676 HD2 LYS 89 1HD LYS 89 -6.693 8.176 5.657 677 HD3 LYS 89 2HD LYS 89 -6.504 9.866 5.175 678 HE2 LYS 89 1HE LYS 89 -8.694 7.970 4.206 679 HE3 LYS 89 2HE LYS 89 -8.883 9.133 5.518 680 HZ1 LYS 89 3HZ LYS 89 -9.738 10.034 3.459 681 HZ2 LYS 89 1HZ LYS 89 -8.444 10.917 3.916 682 HZ3 LYS 89 2HZ LYS 89 -8.312 9.833 2.693 683 H CYS 90 H CYS 90 -2.171 6.207 4.193 684 HA CYS 90 HA CYS 90 0.178 7.923 4.417 685 HB2 CYS 90 1HB CYS 90 -0.419 6.295 6.112 686 HB3 CYS 90 2HB CYS 90 -0.295 4.970 4.956 687 H ALA 91 H ALA 91 -0.742 5.202 2.256 688 HA ALA 91 HA ALA 91 1.618 5.194 0.686 689 HB1 ALA 91 1HB ALA 91 -0.154 3.449 0.703 690 HB2 ALA 91 2HB ALA 91 -1.229 4.551 -0.168 691 HB3 ALA 91 3HB ALA 91 0.265 3.997 -0.937 692 H LYS 92 H LYS 92 -1.360 7.306 0.270 693 HA LYS 92 HA LYS 92 -0.276 8.702 -1.972 694 HB2 LYS 92 1HB LYS 92 -2.007 9.974 0.169 695 HB3 LYS 92 2HB LYS 92 -1.819 10.462 -1.505 696 HG2 LYS 92 1HG LYS 92 -3.318 8.088 -0.403 697 HG3 LYS 92 2HG LYS 92 -3.955 9.463 -1.229 698 HD2 LYS 92 1HD LYS 92 -2.368 7.164 -2.413 699 HD3 LYS 92 2HD LYS 92 -4.057 7.540 -2.670 700 HE2 LYS 92 1HE LYS 92 -1.702 9.230 -3.640 701 HE3 LYS 92 2HE LYS 92 -2.646 8.114 -4.625 702 HZ1 LYS 92 3HZ LYS 92 -3.397 10.402 -4.900 703 HZ2 LYS 92 1HZ LYS 92 -4.602 9.508 -4.261 704 HZ3 LYS 92 2HZ LYS 92 -3.753 10.538 -3.312 705 H LYS 93 H LYS 93 0.160 9.360 1.532 706 HA LYS 93 HA LYS 93 1.775 11.700 1.213 707 HB2 LYS 93 1HB LYS 93 0.613 10.973 3.314 708 HB3 LYS 93 2HB LYS 93 1.758 9.649 3.460 709 HG2 LYS 93 1HG LYS 93 2.386 11.386 4.981 710 HG3 LYS 93 2HG LYS 93 3.624 11.217 3.753 711 HD2 LYS 93 1HD LYS 93 3.303 13.538 4.273 712 HD3 LYS 93 2HD LYS 93 2.743 13.277 2.619 713 HE2 LYS 93 1HE LYS 93 0.396 13.251 3.383 714 HE3 LYS 93 2HE LYS 93 0.917 13.296 5.072 715 HZ1 LYS 93 3HZ LYS 93 0.250 15.490 4.296 716 HZ2 LYS 93 1HZ LYS 93 1.832 15.501 4.692 717 HZ3 LYS 93 2HZ LYS 93 1.384 15.483 3.118 718 H ILE 94 H ILE 94 2.677 8.281 1.059 719 HA ILE 94 HA ILE 94 5.547 8.846 0.743 720 HB ILE 94 HB ILE 94 3.905 6.365 0.100 721 HG12 ILE 94 1HG1 ILE 94 5.864 6.795 2.382 722 HG13 ILE 94 2HG1 ILE 94 4.159 7.127 2.585 723 HG21 ILE 94 1HG2 ILE 94 5.900 6.411 -1.290 724 HG22 ILE 94 2HG2 ILE 94 6.903 6.933 0.074 725 HG23 ILE 94 3HG2 ILE 94 6.214 5.286 0.032 726 HD11 ILE 94 3HD1 ILE 94 4.588 4.925 3.436 727 HD12 ILE 94 1HD1 ILE 94 3.617 4.767 1.966 728 HD13 ILE 94 2HD1 ILE 94 5.360 4.412 1.928 729 H TYR 95 H TYR 95 2.888 8.115 -1.582 730 HA TYR 95 HA TYR 95 4.413 8.216 -3.927 731 HB2 TYR 95 1HB TYR 95 2.394 7.345 -4.303 732 HB3 TYR 95 2HB TYR 95 1.559 8.400 -3.181 733 HD1 TYR 95 2HD TYR 95 1.042 10.815 -3.860 734 HD2 TYR 95 1HD TYR 95 2.103 7.692 -6.637 735 HE1 TYR 95 2HE TYR 95 0.027 12.122 -5.717 736 HE2 TYR 95 1HE TYR 95 1.119 9.007 -8.499 737 HH TYR 95 HH TYR 95 0.028 10.944 -9.108 738 H LYS 96 H LYS 96 3.216 10.914 -2.056 739 HA LYS 96 HA LYS 96 3.819 13.102 -3.784 740 HB2 LYS 96 1HB LYS 96 3.720 12.603 -0.796 741 HB3 LYS 96 2HB LYS 96 4.214 14.188 -1.410 742 HG2 LYS 96 1HG LYS 96 2.114 14.375 -2.710 743 HG3 LYS 96 2HG LYS 96 1.562 12.827 -2.068 744 HD2 LYS 96 1HD LYS 96 1.685 13.768 0.241 745 HD3 LYS 96 2HD LYS 96 2.172 15.330 -0.421 746 HE2 LYS 96 1HE LYS 96 -0.445 13.887 -1.085 747 HE3 LYS 96 2HE LYS 96 -0.284 15.120 0.167 748 HZ1 LYS 96 3HZ LYS 96 -1.090 16.095 -1.878 749 HZ2 LYS 96 1HZ LYS 96 0.389 16.704 -1.554 750 HZ3 LYS 96 2HZ LYS 96 0.203 15.575 -2.724 751 H ARG 97 H ARG 97 6.034 10.985 -2.106 752 HA ARG 97 HA ARG 97 8.376 12.742 -2.749 753 HB2 ARG 97 1HB ARG 97 8.257 10.321 -0.905 754 HB3 ARG 97 2HB ARG 97 9.609 11.426 -1.125 755 HG2 ARG 97 1HG ARG 97 6.924 12.070 0.171 756 HG3 ARG 97 2HG ARG 97 8.471 11.844 0.985 757 HD2 ARG 97 1HD ARG 97 9.383 13.839 -0.188 758 HD3 ARG 97 2HD ARG 97 7.804 14.088 -0.965 759 HE ARG 97 HE ARG 97 7.466 13.904 1.867 760 HH11 ARG 97 1HH1 ARG 97 8.690 16.204 -0.530 761 HH12 ARG 97 2HH1 ARG 97 8.350 17.576 0.481 762 HH21 ARG 97 1HH2 ARG 97 7.064 15.715 3.122 763 HH22 ARG 97 2HH2 ARG 97 7.440 17.300 2.520 764 H HIS 98 H HIS 98 7.126 9.419 -2.980 765 HA HIS 98 HA HIS 98 8.710 8.872 -5.442 766 HB2 HIS 98 1HB HIS 98 8.724 7.177 -2.915 767 HB3 HIS 98 2HB HIS 98 9.423 6.696 -4.460 768 HD2 HIS 98 2HD HIS 98 10.231 8.476 -1.275 769 HE1 HIS 98 1HE HIS 98 13.498 9.334 -3.869 770 HE2 HIS 98 2HE HIS 98 12.667 9.461 -1.463 771 H ARG 99 H ARG 99 6.836 8.785 -6.686 772 HA ARG 99 HA ARG 99 4.340 7.996 -6.056 773 HB2 ARG 99 1HB ARG 99 3.823 7.742 -8.335 774 HB3 ARG 99 2HB ARG 99 4.716 9.207 -7.922 775 HG2 ARG 99 1HG ARG 99 6.791 8.239 -8.889 776 HG3 ARG 99 2HG ARG 99 5.904 6.736 -9.279 777 HD2 ARG 99 1HD ARG 99 4.247 8.065 -10.518 778 HD3 ARG 99 2HD ARG 99 5.167 9.536 -10.170 779 HE ARG 99 HE ARG 99 6.962 7.739 -11.401 780 HH11 ARG 99 1HH1 ARG 99 4.040 9.464 -12.408 781 HH12 ARG 99 2HH1 ARG 99 4.511 9.470 -14.080 782 HH21 ARG 99 1HH2 ARG 99 7.509 7.785 -13.576 783 HH22 ARG 99 2HH2 ARG 99 6.449 8.536 -14.729 784 H PHE 100 H PHE 100 6.775 5.725 -7.289 785 HA PHE 100 HA PHE 100 5.214 3.449 -6.175 786 HB2 PHE 100 1HB PHE 100 6.407 3.425 -8.960 787 HB3 PHE 100 2HB PHE 100 5.535 2.130 -8.143 788 HD1 PHE 100 1HD PHE 100 3.088 2.683 -7.345 789 HD2 PHE 100 2HD PHE 100 5.187 4.762 -10.484 790 HE1 PHE 100 1HE PHE 100 0.936 3.466 -8.263 791 HE2 PHE 100 2HE PHE 100 3.022 5.569 -11.392 792 HZ PHE 100 HZ PHE 100 0.891 4.919 -10.280 793 H ASP 101 H ASP 101 8.318 4.903 -6.886 794 HA ASP 101 HA ASP 101 9.950 2.592 -6.825 795 HB2 ASP 101 1HB ASP 101 10.508 4.784 -7.842 796 HB3 ASP 101 2HB ASP 101 10.638 5.495 -6.233 797 H ALA 102 H ALA 102 8.446 4.181 -4.167 798 HA ALA 102 HA ALA 102 10.309 3.403 -2.077 799 HB1 ALA 102 1HB ALA 102 8.741 5.251 -1.765 800 HB2 ALA 102 2HB ALA 102 7.355 4.161 -2.015 801 HB3 ALA 102 3HB ALA 102 8.398 3.974 -0.592 802 H TRP 103 H TRP 103 8.246 1.531 -4.033 803 HA TRP 103 HA TRP 103 8.176 -0.709 -2.045 804 HB2 TRP 103 1HB TRP 103 6.245 0.032 -4.277 805 HB3 TRP 103 2HB TRP 103 6.167 -1.455 -3.344 806 HD1 TRP 103 HD TRP 103 5.482 -1.293 -0.780 807 HE1 TRP 103 1HE TRP 103 4.005 0.335 0.480 808 HE3 TRP 103 3HE TRP 103 5.676 2.635 -4.052 809 HZ2 TRP 103 2HZ TRP 103 2.920 3.011 0.077 810 HZ3 TRP 103 3HZ TRP 103 4.402 4.711 -3.599 811 HH2 TRP 103 HH TRP 103 2.984 4.894 -1.567 812 H TYR 104 H TYR 104 9.301 -2.392 -2.464 813 HA TYR 104 HA TYR 104 10.990 -2.446 -4.765 814 HB2 TYR 104 1HB TYR 104 11.492 -3.216 -2.391 815 HB3 TYR 104 2HB TYR 104 10.584 -4.682 -2.757 816 HD1 TYR 104 1HD TYR 104 13.448 -2.556 -3.771 817 HD2 TYR 104 2HD TYR 104 11.597 -6.424 -4.109 818 HE1 TYR 104 1HE TYR 104 15.494 -3.427 -4.933 819 HE2 TYR 104 2HE TYR 104 13.624 -7.309 -5.269 820 HH TYR 104 HH TYR 104 15.732 -6.829 -6.062 821 H GLY 105 H GLY 105 7.998 -4.216 -4.006 822 HA2 GLY 105 1HA GLY 105 8.207 -6.262 -5.980 823 HA3 GLY 105 2HA GLY 105 6.703 -5.634 -5.264 824 H TRP 106 H TRP 106 6.959 -2.916 -6.229 825 HA TRP 106 HA TRP 106 5.872 -3.212 -8.850 826 HB2 TRP 106 1HB TRP 106 5.148 -1.418 -7.489 827 HB3 TRP 106 2HB TRP 106 6.783 -0.801 -7.276 828 HD1 TRP 106 HD TRP 106 3.902 -0.812 -9.774 829 HE1 TRP 106 1HE TRP 106 4.387 0.851 -11.672 830 HE3 TRP 106 3HE TRP 106 8.675 0.477 -8.494 831 HZ2 TRP 106 2HZ TRP 106 6.598 2.523 -12.532 832 HZ3 TRP 106 3HZ TRP 106 9.971 2.062 -9.870 833 HH2 TRP 106 HH TRP 106 8.944 3.104 -11.896 834 H LYS 107 H LYS 107 9.109 -2.079 -7.803 835 HA LYS 107 HA LYS 107 10.046 -1.866 -10.568 836 HB2 LYS 107 1HB LYS 107 12.213 -1.299 -9.573 837 HB3 LYS 107 2HB LYS 107 10.879 -0.280 -9.052 838 HG2 LYS 107 1HG LYS 107 10.733 -1.642 -6.935 839 HG3 LYS 107 2HG LYS 107 12.226 -2.467 -7.417 840 HD2 LYS 107 1HD LYS 107 11.827 0.517 -6.916 841 HD3 LYS 107 2HD LYS 107 12.607 -0.617 -5.809 842 HE2 LYS 107 1HE LYS 107 14.437 -1.002 -7.400 843 HE3 LYS 107 2HE LYS 107 13.629 0.000 -8.617 844 HZ1 LYS 107 3HZ LYS 107 15.323 1.267 -7.462 845 HZ2 LYS 107 1HZ LYS 107 13.842 1.898 -7.150 846 HZ3 LYS 107 2HZ LYS 107 14.613 1.004 -6.010 847 H ASN 108 H ASN 108 9.698 -4.531 -8.488 848 HA ASN 108 HA ASN 108 11.732 -6.165 -9.858 849 HB2 ASN 108 1HB ASN 108 11.367 -6.394 -7.447 850 HB3 ASN 108 2HB ASN 108 9.677 -6.826 -7.720 851 HD21 ASN 108 2HD2 ASN 108 9.219 -9.009 -7.940 852 HD22 ASN 108 1HD2 ASN 108 10.439 -10.235 -8.237 853 H HIS 109 H HIS 109 8.140 -5.885 -9.872 854 HA HIS 109 HA HIS 109 8.085 -7.846 -12.138 855 HB2 HIS 109 1HB HIS 109 6.990 -9.306 -10.937 856 HB3 HIS 109 2HB HIS 109 7.321 -8.351 -9.508 857 HD2 HIS 109 2HD HIS 109 5.275 -6.410 -8.945 858 HE1 HIS 109 1HE HIS 109 2.220 -8.841 -10.621 859 HE2 HIS 109 2HE HIS 109 2.698 -6.836 -9.113 860 H CYS 110 H CYS 110 6.532 -4.868 -10.960 861 HA CYS 110 HA CYS 110 4.399 -4.970 -12.944 862 HB2 CYS 110 1HB CYS 110 5.481 -2.589 -11.399 863 HB3 CYS 110 2HB CYS 110 3.993 -2.638 -12.315 864 H GLN 111 H GLN 111 7.698 -4.396 -13.348 865 HA GLN 111 HA GLN 111 7.559 -2.393 -15.467 866 HB2 GLN 111 1HB GLN 111 9.835 -4.307 -14.804 867 HB3 GLN 111 2HB GLN 111 9.935 -2.794 -15.700 868 HG2 GLN 111 1HG GLN 111 9.399 -3.142 -12.721 869 HG3 GLN 111 2HG GLN 111 10.839 -2.482 -13.472 870 HE21 GLN 111 2HE2 GLN 111 8.049 -1.555 -11.858 871 HE22 GLN 111 1HE2 GLN 111 7.997 0.096 -12.460 872 H GLY 112 H GLY 112 7.229 -5.891 -15.386 873 HA2 GLY 112 1HA GLY 112 7.877 -6.252 -18.243 874 HA3 GLY 112 2HA GLY 112 7.393 -7.496 -17.069 875 H SER 113 H SER 113 4.963 -6.219 -16.201 876 HA SER 113 HA SER 113 3.118 -5.706 -18.357 877 HB2 SER 113 1HB SER 113 3.371 -8.526 -17.262 878 HB3 SER 113 2HB SER 113 1.799 -7.894 -17.748 879 HG SER 113 HG SER 113 4.077 -7.881 -19.457 880 H LEU 114 H LEU 114 1.002 -5.242 -17.585 881 HA LEU 114 HA LEU 114 0.583 -5.232 -14.634 882 HB2 LEU 114 1HB LEU 114 -0.275 -3.255 -16.791 883 HB3 LEU 114 2HB LEU 114 -0.848 -3.208 -15.132 884 HG LEU 114 HG LEU 114 2.091 -2.916 -15.909 885 HD11 LEU 114 1HD1 LEU 114 0.702 -1.109 -16.835 886 HD12 LEU 114 2HD1 LEU 114 0.030 -0.791 -15.215 887 HD13 LEU 114 3HD1 LEU 114 1.761 -0.524 -15.539 888 HD21 LEU 114 3HD2 LEU 114 2.259 -1.933 -13.598 889 HD22 LEU 114 1HD2 LEU 114 0.593 -2.456 -13.287 890 HD23 LEU 114 2HD2 LEU 114 1.866 -3.658 -13.595 891 HA PRO 115 HA PRO 115 -3.182 -7.503 -15.597 892 HB2 PRO 115 1HB PRO 115 -4.744 -6.949 -13.453 893 HB3 PRO 115 2HB PRO 115 -3.256 -7.942 -13.311 894 HG2 PRO 115 1HG PRO 115 -3.585 -4.979 -12.724 895 HG3 PRO 115 2HG PRO 115 -2.818 -6.235 -11.695 896 HD2 PRO 115 1HD PRO 115 -1.369 -4.615 -13.356 897 HD3 PRO 115 2HD PRO 115 -0.911 -6.326 -13.067 898 H ASP 116 H ASP 116 -5.295 -7.134 -16.408 899 HA ASP 116 HA ASP 116 -5.977 -4.373 -17.157 900 HB2 ASP 116 1HB ASP 116 -6.262 -6.181 -18.779 901 HB3 ASP 116 2HB ASP 116 -7.378 -7.010 -17.688 902 H ILE 117 H ILE 117 -7.784 -3.331 -16.594 903 HA ILE 117 HA ILE 117 -9.367 -4.146 -14.182 904 HB ILE 117 HB ILE 117 -9.197 -1.846 -13.330 905 HG12 ILE 117 1HG1 ILE 117 -7.079 -1.363 -15.482 906 HG13 ILE 117 2HG1 ILE 117 -8.741 -0.784 -15.594 907 HG21 ILE 117 1HG2 ILE 117 -7.636 -3.629 -12.534 908 HG22 ILE 117 2HG2 ILE 117 -6.420 -3.053 -13.692 909 HG23 ILE 117 3HG2 ILE 117 -6.974 -1.999 -12.376 910 HD11 ILE 117 3HD1 ILE 117 -7.350 0.990 -14.825 911 HD12 ILE 117 1HD1 ILE 117 -8.441 0.501 -13.508 912 HD13 ILE 117 2HD1 ILE 117 -6.726 -0.004 -13.492 913 H SER 118 H SER 118 -9.523 -3.305 -17.379 914 HA SER 118 HA SER 118 -11.507 -1.305 -17.514 915 HB2 SER 118 1HB SER 118 -11.063 -3.545 -19.521 916 HB3 SER 118 2HB SER 118 -11.792 -1.963 -19.825 917 HG SER 118 HG SER 118 -9.088 -2.634 -19.296 918 H SER 119 H SER 119 -12.011 -4.557 -16.507 919 HA SER 119 HA SER 119 -14.908 -4.609 -17.089 920 HB2 SER 119 1HB SER 119 -14.718 -6.811 -15.907 921 HB3 SER 119 2HB SER 119 -13.713 -6.663 -17.359 922 HG SER 119 HG SER 119 -12.565 -7.598 -15.578 923 H CYS 120 H CYS 120 -12.919 -3.285 -14.658 924 HA CYS 120 HA CYS 120 -14.738 -3.782 -12.397 925 HB2 CYS 120 1HB CYS 120 -12.149 -2.218 -12.546 926 HB3 CYS 120 2HB CYS 120 -12.973 -2.753 -11.085 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -8.474 -8.555 10.593 2 H2 GLY 1 2H GLY 1 -7.053 -9.109 9.976 3 H3 GLY 1 3H GLY 1 -7.099 -7.663 10.748 4 HA2 GLY 1 1HA GLY 1 -8.424 -6.673 9.050 5 HA3 GLY 1 2HA GLY 1 -6.945 -7.380 8.378 6 H LYS 2 H LYS 2 -7.781 -7.646 6.345 7 HA LYS 2 HA LYS 2 -9.532 -9.919 5.772 8 HB2 LYS 2 1HB LYS 2 -11.240 -8.621 4.647 9 HB3 LYS 2 2HB LYS 2 -11.125 -8.085 6.322 10 HG2 LYS 2 1HG LYS 2 -9.768 -6.121 5.616 11 HG3 LYS 2 2HG LYS 2 -9.877 -6.644 3.933 12 HD2 LYS 2 1HD LYS 2 -12.259 -5.896 5.672 13 HD3 LYS 2 2HD LYS 2 -11.439 -4.823 4.525 14 HE2 LYS 2 1HE LYS 2 -11.986 -6.355 2.658 15 HE3 LYS 2 2HE LYS 2 -12.831 -7.432 3.782 16 HZ1 LYS 2 3HZ LYS 2 -14.370 -5.933 2.659 17 HZ2 LYS 2 1HZ LYS 2 -14.376 -5.623 4.263 18 HZ3 LYS 2 2HZ LYS 2 -13.596 -4.616 3.240 19 H THR 3 H THR 3 -9.800 -10.248 3.413 20 HA THR 3 HA THR 3 -7.462 -9.250 1.838 21 HB THR 3 HB THR 3 -8.758 -11.958 1.464 22 HG1 THR 3 1HG THR 3 -6.633 -11.192 3.190 23 HG21 THR 3 3HG2 THR 3 -6.525 -12.480 0.467 24 HG22 THR 3 1HG2 THR 3 -7.371 -11.193 -0.404 25 HG23 THR 3 2HG2 THR 3 -6.044 -10.784 0.700 26 H PHE 4 H PHE 4 -7.797 -8.448 -0.109 27 HA PHE 4 HA PHE 4 -10.586 -8.209 -1.138 28 HB2 PHE 4 1HB PHE 4 -8.060 -6.588 -1.680 29 HB3 PHE 4 2HB PHE 4 -9.568 -6.317 -2.491 30 HD1 PHE 4 1HD PHE 4 -8.020 -6.255 0.948 31 HD2 PHE 4 2HD PHE 4 -11.271 -4.931 -1.577 32 HE1 PHE 4 1HE PHE 4 -8.857 -4.804 2.761 33 HE2 PHE 4 2HE PHE 4 -12.111 -3.513 0.254 34 HZ PHE 4 HZ PHE 4 -10.912 -3.442 2.433 35 H THR 5 H THR 5 -10.931 -8.238 -3.404 36 HA THR 5 HA THR 5 -9.097 -9.919 -5.074 37 HB THR 5 HB THR 5 -11.310 -10.938 -4.770 38 HG1 THR 5 1HG THR 5 -11.580 -11.246 -6.977 39 HG21 THR 5 3HG2 THR 5 -13.296 -9.956 -5.844 40 HG22 THR 5 1HG2 THR 5 -12.741 -8.919 -4.524 41 HG23 THR 5 2HG2 THR 5 -12.397 -8.473 -6.210 42 H ARG 6 H ARG 6 -9.024 -9.144 -7.406 43 HA ARG 6 HA ARG 6 -7.909 -6.560 -7.318 44 HB2 ARG 6 1HB ARG 6 -7.341 -8.358 -8.937 45 HB3 ARG 6 2HB ARG 6 -8.821 -8.004 -9.836 46 HG2 ARG 6 1HG ARG 6 -8.044 -5.692 -10.253 47 HG3 ARG 6 2HG ARG 6 -6.605 -5.966 -9.260 48 HD2 ARG 6 1HD ARG 6 -7.294 -7.435 -11.836 49 HD3 ARG 6 2HD ARG 6 -6.151 -6.093 -11.695 50 HE ARG 6 HE ARG 6 -5.022 -7.691 -9.913 51 HH11 ARG 6 1HH1 ARG 6 -6.442 -8.856 -12.952 52 HH12 ARG 6 2HH1 ARG 6 -5.364 -10.219 -13.015 53 HH21 ARG 6 1HH2 ARG 6 -3.570 -9.281 -10.168 54 HH22 ARG 6 2HH2 ARG 6 -3.757 -10.482 -11.431 55 H CYS 7 H CYS 7 -11.101 -7.456 -8.761 56 HA CYS 7 HA CYS 7 -11.802 -4.755 -9.455 57 HB2 CYS 7 1HB CYS 7 -14.057 -5.605 -9.749 58 HB3 CYS 7 2HB CYS 7 -12.876 -6.688 -10.473 59 H GLY 8 H GLY 8 -12.046 -6.438 -6.381 60 HA2 GLY 8 1HA GLY 8 -13.720 -4.457 -5.045 61 HA3 GLY 8 2HA GLY 8 -12.701 -5.704 -4.276 62 H LEU 9 H LEU 9 -10.167 -5.114 -5.102 63 HA LEU 9 HA LEU 9 -9.394 -2.828 -3.601 64 HB2 LEU 9 1HB LEU 9 -8.011 -4.863 -4.029 65 HB3 LEU 9 2HB LEU 9 -7.880 -4.410 -5.732 66 HG LEU 9 HG LEU 9 -6.754 -2.295 -5.064 67 HD11 LEU 9 1HD1 LEU 9 -7.613 -1.913 -2.833 68 HD12 LEU 9 2HD1 LEU 9 -6.978 -3.469 -2.270 69 HD13 LEU 9 3HD1 LEU 9 -5.867 -2.138 -2.698 70 HD21 LEU 9 3HD2 LEU 9 -4.617 -3.244 -4.569 71 HD22 LEU 9 1HD2 LEU 9 -5.351 -4.707 -3.877 72 HD23 LEU 9 2HD2 LEU 9 -5.469 -4.379 -5.624 73 H VAL 10 H VAL 10 -9.574 -3.206 -7.188 74 HA VAL 10 HA VAL 10 -8.776 -0.622 -7.954 75 HB VAL 10 HB VAL 10 -10.907 -2.450 -9.123 76 HG11 VAL 10 1HG1 VAL 10 -11.618 -0.303 -9.910 77 HG12 VAL 10 2HG1 VAL 10 -9.960 0.225 -10.209 78 HG13 VAL 10 3HG1 VAL 10 -10.696 -1.021 -11.229 79 HG21 VAL 10 3HG2 VAL 10 -9.250 -2.863 -10.871 80 HG22 VAL 10 1HG2 VAL 10 -8.138 -1.685 -10.145 81 HG23 VAL 10 2HG2 VAL 10 -8.523 -3.190 -9.301 82 H HIS 11 H HIS 11 -12.020 -1.653 -6.879 83 HA HIS 11 HA HIS 11 -13.247 0.973 -7.034 84 HB2 HIS 11 1HB HIS 11 -14.024 -1.586 -5.587 85 HB3 HIS 11 2HB HIS 11 -15.001 -0.131 -5.587 86 HD2 HIS 11 2HD HIS 11 -13.588 -0.452 -9.024 87 HE1 HIS 11 1HE HIS 11 -17.345 -2.440 -9.187 88 HE2 HIS 11 2HE HIS 11 -15.451 -1.482 -10.583 89 H GLU 12 H GLU 12 -11.800 -0.849 -4.316 90 HA GLU 12 HA GLU 12 -12.460 0.991 -2.250 91 HB2 GLU 12 1HB GLU 12 -11.427 -1.490 -2.301 92 HB3 GLU 12 2HB GLU 12 -9.918 -0.620 -2.142 93 HG2 GLU 12 1HG GLU 12 -10.835 -1.373 0.005 94 HG3 GLU 12 2HG GLU 12 -10.711 0.395 -0.064 95 H LEU 13 H LEU 13 -9.602 0.839 -4.361 96 HA LEU 13 HA LEU 13 -8.319 3.180 -3.211 97 HB2 LEU 13 1HB LEU 13 -7.989 1.777 -5.876 98 HB3 LEU 13 2HB LEU 13 -6.848 2.936 -5.202 99 HG LEU 13 HG LEU 13 -7.523 0.273 -3.943 100 HD11 LEU 13 1HD1 LEU 13 -6.359 0.001 -6.058 101 HD12 LEU 13 2HD1 LEU 13 -5.130 1.198 -5.568 102 HD13 LEU 13 3HD1 LEU 13 -5.246 -0.364 -4.722 103 HD21 LEU 13 3HD2 LEU 13 -5.575 0.659 -2.521 104 HD22 LEU 13 1HD2 LEU 13 -5.371 2.288 -3.228 105 HD23 LEU 13 2HD2 LEU 13 -6.806 1.893 -2.251 106 H ARG 14 H ARG 14 -10.433 2.693 -6.051 107 HA ARG 14 HA ARG 14 -10.412 5.397 -6.994 108 HB2 ARG 14 1HB ARG 14 -12.499 3.211 -7.118 109 HB3 ARG 14 2HB ARG 14 -12.829 4.821 -7.754 110 HG2 ARG 14 1HG ARG 14 -11.108 4.691 -9.391 111 HG3 ARG 14 2HG ARG 14 -10.413 3.232 -8.663 112 HD2 ARG 14 1HD ARG 14 -12.386 1.934 -9.192 113 HD3 ARG 14 2HD ARG 14 -13.221 3.375 -9.824 114 HE ARG 14 HE ARG 14 -10.814 3.050 -11.263 115 HH11 ARG 14 1HH1 ARG 14 -13.945 1.402 -10.948 116 HH12 ARG 14 2HH1 ARG 14 -13.723 0.533 -12.455 117 HH21 ARG 14 1HH2 ARG 14 -10.700 1.921 -13.275 118 HH22 ARG 14 2HH2 ARG 14 -12.009 0.851 -13.708 119 H LYS 15 H LYS 15 -12.427 3.925 -4.398 120 HA LYS 15 HA LYS 15 -13.835 6.371 -3.713 121 HB2 LYS 15 1HB LYS 15 -13.221 3.822 -2.177 122 HB3 LYS 15 2HB LYS 15 -14.217 5.125 -1.530 123 HG2 LYS 15 1HG LYS 15 -15.837 4.889 -3.351 124 HG3 LYS 15 2HG LYS 15 -14.882 3.606 -4.090 125 HD2 LYS 15 1HD LYS 15 -16.180 3.493 -1.330 126 HD3 LYS 15 2HD LYS 15 -16.795 2.718 -2.800 127 HE2 LYS 15 1HE LYS 15 -14.712 1.361 -2.956 128 HE3 LYS 15 2HE LYS 15 -14.111 2.120 -1.477 129 HZ1 LYS 15 3HZ LYS 15 -15.061 0.002 -0.979 130 HZ2 LYS 15 1HZ LYS 15 -15.986 1.155 -0.285 131 HZ3 LYS 15 2HZ LYS 15 -16.515 0.399 -1.644 132 H HIS 16 H HIS 16 -10.692 5.077 -2.770 133 HA HIS 16 HA HIS 16 -10.324 7.080 -0.657 134 HB2 HIS 16 1HB HIS 16 -8.674 4.701 -1.594 135 HB3 HIS 16 2HB HIS 16 -8.220 5.762 -0.264 136 HD2 HIS 16 2HD HIS 16 -8.392 3.134 0.847 137 HE1 HIS 16 1HE HIS 16 -12.483 3.594 1.841 138 HE2 HIS 16 2HE HIS 16 -10.403 2.274 2.347 139 H GLY 17 H GLY 17 -9.941 7.434 -3.889 140 HA2 GLY 17 1HA GLY 17 -9.210 9.450 -4.843 141 HA3 GLY 17 2HA GLY 17 -8.188 9.779 -3.427 142 H PHE 18 H PHE 18 -8.127 6.795 -5.386 143 HA PHE 18 HA PHE 18 -5.363 7.423 -6.317 144 HB2 PHE 18 1HB PHE 18 -6.962 4.881 -6.135 145 HB3 PHE 18 2HB PHE 18 -5.413 4.989 -6.947 146 HD1 PHE 18 2HD PHE 18 -6.924 5.810 -3.549 147 HD2 PHE 18 1HD PHE 18 -3.514 4.405 -5.764 148 HE1 PHE 18 2HE PHE 18 -5.720 5.449 -1.451 149 HE2 PHE 18 1HE PHE 18 -2.310 3.981 -3.637 150 HZ PHE 18 HZ PHE 18 -3.404 4.492 -1.476 151 H GLU 19 H GLU 19 -4.921 7.628 -8.500 152 HA GLU 19 HA GLU 19 -7.147 8.425 -10.171 153 HB2 GLU 19 1HB GLU 19 -4.202 8.176 -10.869 154 HB3 GLU 19 2HB GLU 19 -5.434 9.024 -11.803 155 HG2 GLU 19 1HG GLU 19 -4.453 9.791 -9.028 156 HG3 GLU 19 2HG GLU 19 -4.014 10.560 -10.545 157 H GLU 20 H GLU 20 -8.037 7.450 -11.943 158 HA GLU 20 HA GLU 20 -7.944 4.654 -12.179 159 HB2 GLU 20 1HB GLU 20 -9.387 4.897 -14.096 160 HB3 GLU 20 2HB GLU 20 -9.868 5.999 -12.809 161 HG2 GLU 20 1HG GLU 20 -8.721 7.876 -14.023 162 HG3 GLU 20 2HG GLU 20 -8.308 6.757 -15.324 163 H ASN 21 H ASN 21 -5.894 7.006 -13.842 164 HA ASN 21 HA ASN 21 -4.899 5.038 -15.771 165 HB2 ASN 21 1HB ASN 21 -3.570 6.769 -16.639 166 HB3 ASN 21 2HB ASN 21 -5.145 7.475 -16.308 167 HD21 ASN 21 2HD2 ASN 21 -2.201 8.553 -16.438 168 HD22 ASN 21 1HD2 ASN 21 -2.093 9.507 -14.970 169 H LEU 22 H LEU 22 -4.144 5.862 -12.497 170 HA LEU 22 HA LEU 22 -1.469 4.516 -12.630 171 HB2 LEU 22 1HB LEU 22 -2.837 5.997 -10.350 172 HB3 LEU 22 2HB LEU 22 -1.206 5.336 -10.337 173 HG LEU 22 HG LEU 22 -2.215 7.671 -11.984 174 HD11 LEU 22 1HD1 LEU 22 -1.827 8.132 -9.593 175 HD12 LEU 22 2HD1 LEU 22 -0.169 7.505 -9.735 176 HD13 LEU 22 3HD1 LEU 22 -0.648 8.976 -10.609 177 HD21 LEU 22 3HD2 LEU 22 0.138 7.988 -12.728 178 HD22 LEU 22 1HD2 LEU 22 0.570 6.430 -11.995 179 HD23 LEU 22 2HD2 LEU 22 -0.563 6.497 -13.364 180 H MET 23 H MET 23 -4.754 3.898 -11.816 181 HA MET 23 HA MET 23 -4.715 2.207 -9.700 182 HB2 MET 23 1HB MET 23 -6.636 3.076 -11.149 183 HB3 MET 23 2HB MET 23 -6.387 1.699 -12.189 184 HG2 MET 23 1HG MET 23 -8.218 1.321 -10.561 185 HG3 MET 23 2HG MET 23 -6.912 0.169 -10.304 186 HE1 MET 23 3HE MET 23 -8.007 3.804 -7.717 187 HE2 MET 23 1HE MET 23 -6.739 4.045 -8.943 188 HE3 MET 23 2HE MET 23 -8.368 3.545 -9.429 189 H ARG 24 H ARG 24 -4.002 1.085 -13.057 190 HA ARG 24 HA ARG 24 -3.538 -1.635 -12.535 191 HB2 ARG 24 1HB ARG 24 -2.032 0.173 -14.479 192 HB3 ARG 24 2HB ARG 24 -2.056 -1.596 -14.497 193 HG2 ARG 24 1HG ARG 24 -4.548 -1.513 -14.821 194 HG3 ARG 24 2HG ARG 24 -4.431 0.253 -14.947 195 HD2 ARG 24 1HD ARG 24 -4.491 -0.553 -17.172 196 HD3 ARG 24 2HD ARG 24 -2.811 -0.071 -16.868 197 HE ARG 24 HE ARG 24 -3.272 -2.866 -16.253 198 HH11 ARG 24 1HH1 ARG 24 -2.754 -0.770 -19.061 199 HH12 ARG 24 2HH1 ARG 24 -2.208 -2.090 -20.049 200 HH21 ARG 24 1HH2 ARG 24 -2.570 -4.501 -17.564 201 HH22 ARG 24 2HH2 ARG 24 -2.096 -4.182 -19.206 202 H ASN 25 H ASN 25 -1.124 1.044 -12.337 203 HA ASN 25 HA ASN 25 1.087 -0.555 -11.473 204 HB2 ASN 25 1HB ASN 25 0.487 2.393 -10.924 205 HB3 ASN 25 2HB ASN 25 1.999 1.577 -10.579 206 HD21 ASN 25 2HD2 ASN 25 3.069 3.165 -11.904 207 HD22 ASN 25 1HD2 ASN 25 3.042 2.966 -13.649 208 H TRP 26 H TRP 26 -1.407 1.261 -9.622 209 HA TRP 26 HA TRP 26 -0.338 0.659 -7.052 210 HB2 TRP 26 1HB TRP 26 -3.036 1.617 -8.044 211 HB3 TRP 26 2HB TRP 26 -2.733 1.298 -6.344 212 HD1 TRP 26 HD TRP 26 -2.580 4.081 -8.678 213 HE1 TRP 26 1HE TRP 26 -1.323 6.058 -7.658 214 HE3 TRP 26 3HE TRP 26 -0.206 1.635 -4.862 215 HZ2 TRP 26 2HZ TRP 26 0.346 6.564 -5.325 216 HZ3 TRP 26 3HZ TRP 26 1.196 2.875 -3.252 217 HH2 TRP 26 HH TRP 26 1.470 5.345 -3.459 218 H VAL 27 H VAL 27 -3.080 -0.987 -8.787 219 HA VAL 27 HA VAL 27 -3.380 -2.882 -6.643 220 HB VAL 27 HB VAL 27 -4.730 -4.271 -7.983 221 HG11 VAL 27 1HG1 VAL 27 -5.633 -2.098 -7.164 222 HG12 VAL 27 2HG1 VAL 27 -5.348 -1.409 -8.772 223 HG13 VAL 27 3HG1 VAL 27 -6.472 -2.760 -8.574 224 HG21 VAL 27 3HG2 VAL 27 -5.158 -3.886 -10.397 225 HG22 VAL 27 1HG2 VAL 27 -3.801 -2.742 -10.435 226 HG23 VAL 27 2HG2 VAL 27 -3.522 -4.458 -10.059 227 H CYS 28 H CYS 28 -1.271 -2.945 -9.526 228 HA CYS 28 HA CYS 28 -0.385 -5.654 -9.117 229 HB2 CYS 28 1HB CYS 28 -0.327 -4.310 -11.195 230 HB3 CYS 28 2HB CYS 28 1.008 -3.366 -10.570 231 H LEU 29 H LEU 29 1.033 -2.518 -8.109 232 HA LEU 29 HA LEU 29 3.225 -3.422 -6.571 233 HB2 LEU 29 1HB LEU 29 2.746 -1.121 -7.200 234 HB3 LEU 29 2HB LEU 29 1.296 -1.075 -6.228 235 HG LEU 29 HG LEU 29 4.092 -1.358 -5.057 236 HD11 LEU 29 1HD1 LEU 29 3.833 0.754 -6.325 237 HD12 LEU 29 2HD1 LEU 29 2.317 1.099 -5.470 238 HD13 LEU 29 3HD1 LEU 29 3.855 1.077 -4.595 239 HD21 LEU 29 3HD2 LEU 29 2.950 -0.412 -2.992 240 HD22 LEU 29 1HD2 LEU 29 1.391 -0.672 -3.790 241 HD23 LEU 29 2HD2 LEU 29 2.447 -2.046 -3.381 242 H VAL 30 H VAL 30 -0.129 -2.792 -5.438 243 HA VAL 30 HA VAL 30 0.270 -3.759 -2.808 244 HB VAL 30 HB VAL 30 -2.198 -3.427 -4.523 245 HG11 VAL 30 1HG1 VAL 30 -2.844 -5.200 -2.991 246 HG12 VAL 30 2HG1 VAL 30 -2.128 -4.321 -1.622 247 HG13 VAL 30 3HG1 VAL 30 -3.563 -3.687 -2.462 248 HG21 VAL 30 3HG2 VAL 30 -2.608 -1.514 -3.033 249 HG22 VAL 30 1HG2 VAL 30 -1.196 -1.946 -2.043 250 HG23 VAL 30 2HG2 VAL 30 -0.978 -1.384 -3.707 251 H GLU 31 H GLU 31 -0.919 -5.582 -5.693 252 HA GLU 31 HA GLU 31 -1.383 -8.030 -4.300 253 HB2 GLU 31 1HB GLU 31 -0.774 -7.347 -7.204 254 HB3 GLU 31 2HB GLU 31 -0.964 -9.025 -6.678 255 HG2 GLU 31 1HG GLU 31 -3.196 -8.656 -5.903 256 HG3 GLU 31 2HG GLU 31 -3.096 -6.917 -6.171 257 H HIS 32 H HIS 32 1.629 -6.793 -5.813 258 HA HIS 32 HA HIS 32 3.058 -9.253 -5.120 259 HB2 HIS 32 1HB HIS 32 3.772 -6.629 -6.381 260 HB3 HIS 32 2HB HIS 32 5.005 -7.843 -5.977 261 HD2 HIS 32 2HD HIS 32 3.178 -6.825 -8.866 262 HE1 HIS 32 1HE HIS 32 3.419 -11.036 -9.419 263 HE2 HIS 32 2HE HIS 32 2.896 -8.820 -10.565 264 H GLU 33 H GLU 33 2.453 -6.263 -3.423 265 HA GLU 33 HA GLU 33 4.629 -6.721 -1.485 266 HB2 GLU 33 1HB GLU 33 2.419 -4.659 -1.692 267 HB3 GLU 33 2HB GLU 33 3.444 -4.780 -0.275 268 HG2 GLU 33 1HG GLU 33 4.454 -4.294 -3.107 269 HG3 GLU 33 2HG GLU 33 4.208 -3.057 -1.881 270 H SER 34 H SER 34 0.969 -6.712 -1.182 271 HA SER 34 HA SER 34 1.336 -8.351 1.306 272 HB2 SER 34 1HB SER 34 -0.682 -7.310 2.106 273 HB3 SER 34 2HB SER 34 0.446 -6.043 1.602 274 HG SER 34 HG SER 34 -0.940 -5.428 0.147 275 H SER 35 H SER 35 0.183 -8.676 -1.858 276 HA SER 35 HA SER 35 -1.254 -10.020 -2.946 277 HB2 SER 35 1HB SER 35 -1.687 -11.658 -0.438 278 HB3 SER 35 2HB SER 35 -2.010 -12.111 -2.112 279 HG SER 35 HG SER 35 -0.046 -13.033 -1.441 280 H ARG 36 H ARG 36 -2.159 -7.629 -1.374 281 HA ARG 36 HA ARG 36 -3.991 -6.438 -1.028 282 HB2 ARG 36 1HB ARG 36 -5.948 -8.493 -1.985 283 HB3 ARG 36 2HB ARG 36 -5.962 -6.729 -2.097 284 HG2 ARG 36 1HG ARG 36 -4.183 -6.950 -3.905 285 HG3 ARG 36 2HG ARG 36 -4.438 -8.697 -3.815 286 HD2 ARG 36 1HD ARG 36 -7.034 -7.969 -4.008 287 HD3 ARG 36 2HD ARG 36 -6.339 -6.554 -4.763 288 HE ARG 36 HE ARG 36 -5.693 -7.812 -6.588 289 HH11 ARG 36 1HH1 ARG 36 -6.810 -10.128 -4.117 290 HH12 ARG 36 2HH1 ARG 36 -6.605 -11.467 -5.210 291 HH21 ARG 36 1HH2 ARG 36 -5.467 -9.488 -7.847 292 HH22 ARG 36 2HH2 ARG 36 -5.926 -11.116 -7.363 293 H ASP 37 H ASP 37 -2.970 -8.056 1.028 294 HA ASP 37 HA ASP 37 -5.412 -8.762 2.641 295 HB2 ASP 37 1HB ASP 37 -4.119 -10.762 2.084 296 HB3 ASP 37 2HB ASP 37 -2.653 -10.014 2.715 297 H THR 38 H THR 38 -5.805 -7.289 4.195 298 HA THR 38 HA THR 38 -3.823 -5.310 4.904 299 HB THR 38 HB THR 38 -5.362 -4.509 6.611 300 HG1 THR 38 1HG THR 38 -7.293 -5.458 6.923 301 HG21 THR 38 3HG2 THR 38 -7.292 -3.932 5.189 302 HG22 THR 38 1HG2 THR 38 -5.751 -3.719 4.353 303 HG23 THR 38 2HG2 THR 38 -6.783 -5.133 3.988 304 H SER 39 H SER 39 -4.708 -8.423 6.270 305 HA SER 39 HA SER 39 -3.498 -8.060 8.859 306 HB2 SER 39 1HB SER 39 -4.126 -10.594 7.304 307 HB3 SER 39 2HB SER 39 -3.786 -10.493 9.032 308 HG SER 39 HG SER 39 -6.062 -10.589 8.385 309 H LYS 40 H LYS 40 -1.917 -8.275 5.869 310 HA LYS 40 HA LYS 40 0.075 -10.230 6.539 311 HB2 LYS 40 1HB LYS 40 -0.813 -9.584 4.229 312 HB3 LYS 40 2HB LYS 40 0.155 -8.130 4.339 313 HG2 LYS 40 1HG LYS 40 1.363 -9.751 3.044 314 HG3 LYS 40 2HG LYS 40 2.225 -9.528 4.538 315 HD2 LYS 40 1HD LYS 40 2.145 -11.897 3.815 316 HD3 LYS 40 2HD LYS 40 1.423 -11.665 5.394 317 HE2 LYS 40 1HE LYS 40 0.069 -13.218 4.155 318 HE3 LYS 40 2HE LYS 40 -0.855 -11.737 4.388 319 HZ1 LYS 40 3HZ LYS 40 -1.022 -12.621 2.124 320 HZ2 LYS 40 1HZ LYS 40 -0.376 -11.126 2.086 321 HZ3 LYS 40 2HZ LYS 40 0.584 -12.444 1.885 322 H THR 41 H THR 41 2.204 -10.053 7.027 323 HA THR 41 HA THR 41 3.521 -7.490 7.576 324 HB THR 41 HB THR 41 4.324 -8.496 9.840 325 HG1 THR 41 1HG THR 41 2.762 -9.821 10.825 326 HG21 THR 41 3HG2 THR 41 2.494 -7.501 11.122 327 HG22 THR 41 1HG2 THR 41 3.020 -6.464 9.806 328 HG23 THR 41 2HG2 THR 41 1.502 -7.387 9.648 329 H ASN 42 H ASN 42 5.720 -7.582 7.773 330 HA ASN 42 HA ASN 42 7.170 -10.126 7.315 331 HB2 ASN 42 1HB ASN 42 7.011 -7.812 5.340 332 HB3 ASN 42 2HB ASN 42 8.385 -8.906 5.380 333 HD21 ASN 42 2HD2 ASN 42 5.128 -8.519 4.250 334 HD22 ASN 42 1HD2 ASN 42 5.019 -10.113 3.507 335 H THR 43 H THR 43 8.953 -10.132 8.562 336 HA THR 43 HA THR 43 10.012 -7.652 9.781 337 HB THR 43 HB THR 43 10.948 -10.516 10.163 338 HG1 THR 43 1HG THR 43 9.463 -10.677 11.703 339 HG21 THR 43 3HG2 THR 43 11.693 -9.618 12.385 340 HG22 THR 43 1HG2 THR 43 12.544 -8.848 11.043 341 HG23 THR 43 2HG2 THR 43 11.229 -7.984 11.865 342 H ASN 44 H ASN 44 11.970 -6.777 9.404 343 HA ASN 44 HA ASN 44 13.394 -7.646 6.931 344 HB2 ASN 44 1HB ASN 44 13.403 -4.986 8.397 345 HB3 ASN 44 2HB ASN 44 14.165 -5.315 6.841 346 HD21 ASN 44 2HD2 ASN 44 11.670 -3.749 8.052 347 HD22 ASN 44 1HD2 ASN 44 10.459 -3.966 6.774 348 H ARG 45 H ARG 45 15.701 -7.333 6.815 349 HA ARG 45 HA ARG 45 17.162 -8.622 8.917 350 HB2 ARG 45 1HB ARG 45 18.238 -7.021 6.556 351 HB3 ARG 45 2HB ARG 45 19.153 -8.151 7.562 352 HG2 ARG 45 1HG ARG 45 17.568 -9.989 6.846 353 HG3 ARG 45 2HG ARG 45 16.790 -8.825 5.764 354 HD2 ARG 45 1HD ARG 45 18.310 -10.116 4.447 355 HD3 ARG 45 2HD ARG 45 18.976 -8.480 4.599 356 HE ARG 45 HE ARG 45 19.988 -10.235 6.664 357 HH11 ARG 45 1HH1 ARG 45 20.454 -9.551 3.224 358 HH12 ARG 45 2HH1 ARG 45 22.094 -10.131 3.237 359 HH21 ARG 45 1HH2 ARG 45 22.110 -10.957 6.615 360 HH22 ARG 45 2HH2 ARG 45 23.012 -10.920 5.131 361 H ASN 46 H ASN 46 16.519 -5.272 8.314 362 HA ASN 46 HA ASN 46 18.524 -4.246 10.179 363 HB2 ASN 46 1HB ASN 46 17.695 -3.179 7.987 364 HB3 ASN 46 2HB ASN 46 16.235 -2.736 8.868 365 HD21 ASN 46 2HD2 ASN 46 16.972 -0.510 8.189 366 HD22 ASN 46 1HD2 ASN 46 18.188 0.293 9.165 367 H GLY 47 H GLY 47 15.811 -5.916 10.880 368 HA2 GLY 47 1HA GLY 47 14.883 -6.336 12.933 369 HA3 GLY 47 2HA GLY 47 15.678 -4.899 13.606 370 H SER 48 H SER 48 13.979 -3.813 10.956 371 HA SER 48 HA SER 48 11.631 -2.905 12.506 372 HB2 SER 48 1HB SER 48 11.194 -1.588 10.484 373 HB3 SER 48 2HB SER 48 12.832 -1.330 11.082 374 HG SER 48 HG SER 48 13.243 -1.719 8.998 375 H LYS 49 H LYS 49 9.487 -3.024 11.302 376 HA LYS 49 HA LYS 49 9.143 -5.496 9.698 377 HB2 LYS 49 1HB LYS 49 8.599 -5.829 12.211 378 HB3 LYS 49 2HB LYS 49 7.186 -4.814 11.906 379 HG2 LYS 49 1HG LYS 49 6.556 -6.474 10.054 380 HG3 LYS 49 2HG LYS 49 7.832 -7.514 10.688 381 HD2 LYS 49 1HD LYS 49 5.327 -6.548 12.107 382 HD3 LYS 49 2HD LYS 49 5.662 -8.189 11.578 383 HE2 LYS 49 1HE LYS 49 7.282 -6.720 13.695 384 HE3 LYS 49 2HE LYS 49 5.907 -7.757 14.063 385 HZ1 LYS 49 3HZ LYS 49 8.044 -8.935 14.230 386 HZ2 LYS 49 1HZ LYS 49 7.067 -9.626 13.119 387 HZ3 LYS 49 2HZ LYS 49 8.327 -8.718 12.629 388 H ASP 50 H ASP 50 7.514 -5.485 8.282 389 HA ASP 50 HA ASP 50 6.354 -2.861 7.489 390 HB2 ASP 50 1HB ASP 50 6.696 -5.491 5.990 391 HB3 ASP 50 2HB ASP 50 5.987 -4.025 5.341 392 H TYR 51 H TYR 51 4.144 -2.614 7.304 393 HA TYR 51 HA TYR 51 2.319 -4.839 8.156 394 HB2 TYR 51 1HB TYR 51 2.450 -1.945 9.097 395 HB3 TYR 51 2HB TYR 51 1.193 -3.085 9.537 396 HD1 TYR 51 2HD TYR 51 4.802 -2.267 9.904 397 HD2 TYR 51 1HD TYR 51 1.483 -4.581 11.377 398 HE1 TYR 51 2HE TYR 51 6.085 -2.799 11.948 399 HE2 TYR 51 1HE TYR 51 2.755 -5.105 13.447 400 HH TYR 51 HH TYR 51 4.717 -4.783 14.618 401 H GLY 52 H GLY 52 0.171 -4.761 7.439 402 HA2 GLY 52 1HA GLY 52 -1.754 -3.930 6.435 403 HA3 GLY 52 2HA GLY 52 -0.944 -2.369 6.237 404 H LEU 53 H LEU 53 -2.461 -2.708 4.282 405 HA LEU 53 HA LEU 53 -1.817 -4.634 2.363 406 HB2 LEU 53 1HB LEU 53 -3.854 -2.759 2.744 407 HB3 LEU 53 2HB LEU 53 -2.980 -1.993 1.433 408 HG LEU 53 HG LEU 53 -3.125 -4.455 0.353 409 HD11 LEU 53 1HD1 LEU 53 -4.152 -5.450 2.338 410 HD12 LEU 53 2HD1 LEU 53 -5.518 -4.311 2.217 411 HD13 LEU 53 3HD1 LEU 53 -5.282 -5.505 0.960 412 HD21 LEU 53 3HD2 LEU 53 -5.181 -3.859 -0.749 413 HD22 LEU 53 1HD2 LEU 53 -5.520 -2.602 0.477 414 HD23 LEU 53 2HD2 LEU 53 -4.134 -2.421 -0.624 415 H PHE 54 H PHE 54 -0.246 -1.581 2.738 416 HA PHE 54 HA PHE 54 1.193 -1.935 0.145 417 HB2 PHE 54 1HB PHE 54 0.997 0.455 2.003 418 HB3 PHE 54 2HB PHE 54 1.878 0.415 0.489 419 HD1 PHE 54 2HD PHE 54 -1.550 0.188 1.958 420 HD2 PHE 54 1HD PHE 54 0.786 0.850 -1.598 421 HE1 PHE 54 2HE PHE 54 -3.587 0.908 0.771 422 HE2 PHE 54 1HE PHE 54 -1.259 1.619 -2.776 423 HZ PHE 54 HZ PHE 54 -3.447 1.641 -1.610 424 H GLN 55 H GLN 55 1.584 -3.155 3.116 425 HA GLN 55 HA GLN 55 3.256 -3.731 4.496 426 HB2 GLN 55 1HB GLN 55 4.657 -3.905 1.800 427 HB3 GLN 55 2HB GLN 55 5.366 -4.532 3.281 428 HG2 GLN 55 1HG GLN 55 2.739 -5.452 2.058 429 HG3 GLN 55 2HG GLN 55 4.283 -6.302 2.027 430 HE21 GLN 55 2HE2 GLN 55 1.408 -5.644 3.979 431 HE22 GLN 55 1HE2 GLN 55 1.951 -6.532 5.375 432 H ILE 56 H ILE 56 2.963 -1.438 5.222 433 HA ILE 56 HA ILE 56 5.128 0.455 4.602 434 HB ILE 56 HB ILE 56 2.737 0.801 6.467 435 HG12 ILE 56 1HG1 ILE 56 3.080 1.335 3.472 436 HG13 ILE 56 2HG1 ILE 56 1.895 0.241 4.220 437 HG21 ILE 56 1HG2 ILE 56 4.605 2.391 6.763 438 HG22 ILE 56 2HG2 ILE 56 4.482 2.847 5.048 439 HG23 ILE 56 3HG2 ILE 56 3.152 3.170 6.189 440 HD11 ILE 56 3HD1 ILE 56 0.655 2.121 3.549 441 HD12 ILE 56 1HD1 ILE 56 0.874 2.339 5.300 442 HD13 ILE 56 2HD1 ILE 56 1.883 3.245 4.136 443 H ASN 57 H ASN 57 6.724 1.089 5.965 444 HA ASN 57 HA ASN 57 7.333 -0.823 8.079 445 HB2 ASN 57 1HB ASN 57 8.851 -0.245 6.191 446 HB3 ASN 57 2HB ASN 57 9.011 1.384 6.874 447 HD21 ASN 57 2HD2 ASN 57 9.741 -2.041 7.318 448 HD22 ASN 57 1HD2 ASN 57 10.976 -1.786 8.556 449 H ASP 58 H ASP 58 7.642 -0.485 10.151 450 HA ASP 58 HA ASP 58 6.436 1.671 11.515 451 HB2 ASP 58 1HB ASP 58 6.983 0.565 13.483 452 HB3 ASP 58 2HB ASP 58 6.719 -0.710 12.302 453 H ARG 59 H ARG 59 9.606 1.674 10.267 454 HA ARG 59 HA ARG 59 10.675 3.517 12.324 455 HB2 ARG 59 1HB ARG 59 11.852 1.456 11.458 456 HB3 ARG 59 2HB ARG 59 12.055 2.279 9.913 457 HG2 ARG 59 1HG ARG 59 13.471 3.959 10.865 458 HG3 ARG 59 2HG ARG 59 13.078 3.475 12.517 459 HD2 ARG 59 1HD ARG 59 14.517 1.720 10.484 460 HD3 ARG 59 2HD ARG 59 15.334 2.713 11.704 461 HE ARG 59 HE ARG 59 13.572 1.203 13.190 462 HH11 ARG 59 1HH1 ARG 59 16.216 0.354 10.991 463 HH12 ARG 59 2HH1 ARG 59 16.485 -1.176 11.791 464 HH21 ARG 59 1HH2 ARG 59 14.022 -0.790 14.164 465 HH22 ARG 59 2HH2 ARG 59 15.302 -1.784 13.524 466 H TYR 60 H TYR 60 9.126 3.757 9.285 467 HA TYR 60 HA TYR 60 10.404 6.418 8.692 468 HB2 TYR 60 1HB TYR 60 9.548 4.202 6.811 469 HB3 TYR 60 2HB TYR 60 10.231 5.732 6.315 470 HD1 TYR 60 1HD TYR 60 12.570 6.139 8.060 471 HD2 TYR 60 2HD TYR 60 11.031 2.444 6.455 472 HE1 TYR 60 1HE TYR 60 14.791 5.088 8.359 473 HE2 TYR 60 2HE TYR 60 13.249 1.379 6.777 474 HH TYR 60 HH TYR 60 16.050 3.173 8.137 475 H TRP 61 H TRP 61 7.290 4.716 8.667 476 HA TRP 61 HA TRP 61 5.996 7.223 7.622 477 HB2 TRP 61 1HB TRP 61 5.365 4.418 6.719 478 HB3 TRP 61 2HB TRP 61 4.749 5.909 6.055 479 HD1 TRP 61 HD TRP 61 7.130 3.314 5.330 480 HE1 TRP 61 1HE TRP 61 8.767 4.004 3.476 481 HE3 TRP 61 3HE TRP 61 6.125 8.323 5.209 482 HZ2 TRP 61 2HZ TRP 61 9.416 6.406 2.000 483 HZ3 TRP 61 3HZ TRP 61 7.068 9.731 3.431 484 HH2 TRP 61 HH TRP 61 8.761 8.811 1.839 485 H CYS 62 H CYS 62 5.155 3.957 8.901 486 HA CYS 62 HA CYS 62 3.101 5.189 10.681 487 HB2 CYS 62 1HB CYS 62 2.453 2.806 11.085 488 HB3 CYS 62 2HB CYS 62 2.148 3.416 9.466 489 H SER 63 H SER 63 3.000 4.050 12.896 490 HA SER 63 HA SER 63 5.739 3.580 14.013 491 HB2 SER 63 1HB SER 63 4.312 5.824 14.465 492 HB3 SER 63 2HB SER 63 3.586 4.791 15.683 493 HG SER 63 HG SER 63 5.430 5.771 16.585 494 H LYS 64 H LYS 64 5.990 2.016 15.535 495 HA LYS 64 HA LYS 64 3.973 -0.104 15.507 496 HB2 LYS 64 1HB LYS 64 5.767 -1.435 16.613 497 HB3 LYS 64 2HB LYS 64 6.215 -0.773 15.059 498 HG2 LYS 64 1HG LYS 64 7.652 0.862 16.011 499 HG3 LYS 64 2HG LYS 64 6.904 0.740 17.613 500 HD2 LYS 64 1HD LYS 64 7.834 -1.420 18.012 501 HD3 LYS 64 2HD LYS 64 8.448 -1.544 16.337 502 HE2 LYS 64 1HE LYS 64 9.893 0.425 16.720 503 HE3 LYS 64 2HE LYS 64 9.289 0.564 18.378 504 HZ1 LYS 64 3HZ LYS 64 11.414 -0.607 18.306 505 HZ2 LYS 64 1HZ LYS 64 10.254 -1.627 18.839 506 HZ3 LYS 64 2HZ LYS 64 10.813 -1.749 17.304 507 H GLY 65 H GLY 65 4.590 2.352 17.774 508 HA2 GLY 65 1HA GLY 65 4.139 0.823 20.225 509 HA3 GLY 65 2HA GLY 65 4.237 2.579 20.064 510 H ALA 66 H ALA 66 2.447 2.411 21.698 511 HA ALA 66 HA ALA 66 -0.158 1.412 20.855 512 HB1 ALA 66 1HB ALA 66 0.627 1.352 23.203 513 HB2 ALA 66 2HB ALA 66 0.649 3.135 23.241 514 HB3 ALA 66 3HB ALA 66 -0.884 2.264 23.038 515 H SER 67 H SER 67 1.432 4.226 19.981 516 HA SER 67 HA SER 67 -1.096 5.650 19.291 517 HB2 SER 67 1HB SER 67 1.365 6.858 20.609 518 HB3 SER 67 2HB SER 67 0.032 7.791 19.916 519 HG SER 67 HG SER 67 -0.195 7.477 22.200 520 HA PRO 68 HA PRO 68 1.078 6.299 15.363 521 HB2 PRO 68 1HB PRO 68 -0.282 8.441 14.363 522 HB3 PRO 68 2HB PRO 68 -1.041 6.825 14.513 523 HG2 PRO 68 1HG PRO 68 -1.259 9.159 16.433 524 HG3 PRO 68 2HG PRO 68 -2.584 8.173 15.731 525 HD2 PRO 68 1HD PRO 68 -1.559 7.656 18.194 526 HD3 PRO 68 2HD PRO 68 -2.070 6.331 17.107 527 H GLY 69 H GLY 69 2.563 7.918 14.365 528 HA2 GLY 69 1HA GLY 69 3.137 10.470 15.341 529 HA3 GLY 69 2HA GLY 69 3.972 9.413 16.455 530 H LYS 70 H LYS 70 3.711 9.030 12.888 531 HA LYS 70 HA LYS 70 6.528 9.942 12.577 532 HB2 LYS 70 1HB LYS 70 5.485 7.290 11.506 533 HB3 LYS 70 2HB LYS 70 6.972 8.077 10.967 534 HG2 LYS 70 1HG LYS 70 7.439 8.157 13.621 535 HG3 LYS 70 2HG LYS 70 6.352 6.759 13.569 536 HD2 LYS 70 1HD LYS 70 7.924 5.632 12.002 537 HD3 LYS 70 2HD LYS 70 8.890 7.108 11.911 538 HE2 LYS 70 1HE LYS 70 10.030 5.653 13.423 539 HE3 LYS 70 2HE LYS 70 9.339 6.978 14.363 540 HZ1 LYS 70 3HZ LYS 70 8.958 4.854 15.444 541 HZ2 LYS 70 1HZ LYS 70 7.503 5.445 14.984 542 HZ3 LYS 70 2HZ LYS 70 8.221 4.245 14.114 543 H ASP 71 H ASP 71 6.743 9.554 9.833 544 HA ASP 71 HA ASP 71 5.889 12.075 9.018 545 HB2 ASP 71 1HB ASP 71 7.792 10.761 8.104 546 HB3 ASP 71 2HB ASP 71 6.647 9.732 7.239 547 H CYS 72 H CYS 72 4.017 9.130 8.744 548 HA CYS 72 HA CYS 72 1.928 10.556 7.133 549 HB2 CYS 72 1HB CYS 72 2.342 7.598 7.588 550 HB3 CYS 72 2HB CYS 72 1.116 8.343 6.568 551 H ASN 73 H ASN 73 2.555 10.179 10.300 552 HA ASN 73 HA ASN 73 1.350 10.297 12.196 553 HB2 ASN 73 1HB ASN 73 -0.661 11.633 10.332 554 HB3 ASN 73 2HB ASN 73 -0.564 11.848 12.078 555 HD21 ASN 73 2HD2 ASN 73 1.385 12.929 12.986 556 HD22 ASN 73 1HD2 ASN 73 2.286 14.019 11.950 557 H VAL 74 H VAL 74 1.180 7.780 11.363 558 HA VAL 74 HA VAL 74 -1.489 6.829 12.195 559 HB VAL 74 HB VAL 74 -1.536 7.170 9.735 560 HG11 VAL 74 1HG1 VAL 74 0.844 6.673 9.225 561 HG12 VAL 74 2HG1 VAL 74 0.556 4.961 9.605 562 HG13 VAL 74 3HG1 VAL 74 -0.273 5.716 8.236 563 HG21 VAL 74 3HG2 VAL 74 -2.558 5.085 9.161 564 HG22 VAL 74 1HG2 VAL 74 -1.726 4.232 10.472 565 HG23 VAL 74 2HG2 VAL 74 -2.959 5.461 10.841 566 H LYS 75 H LYS 75 -1.539 4.636 12.800 567 HA LYS 75 HA LYS 75 1.016 3.678 13.974 568 HB2 LYS 75 1HB LYS 75 -1.009 4.433 15.265 569 HB3 LYS 75 2HB LYS 75 -1.861 2.993 14.676 570 HG2 LYS 75 1HG LYS 75 -0.189 1.563 15.852 571 HG3 LYS 75 2HG LYS 75 0.705 3.026 16.319 572 HD2 LYS 75 1HD LYS 75 -0.579 2.478 18.212 573 HD3 LYS 75 2HD LYS 75 -1.406 3.845 17.476 574 HE2 LYS 75 1HE LYS 75 -2.947 2.057 16.379 575 HE3 LYS 75 2HE LYS 75 -2.170 0.910 17.493 576 HZ1 LYS 75 3HZ LYS 75 -4.165 1.754 18.497 577 HZ2 LYS 75 1HZ LYS 75 -2.907 2.400 19.331 578 HZ3 LYS 75 2HZ LYS 75 -3.737 3.309 18.257 579 H CYS 76 H CYS 76 1.852 1.680 13.510 580 HA CYS 76 HA CYS 76 1.339 0.236 11.176 581 HB2 CYS 76 1HB CYS 76 2.445 -0.791 13.826 582 HB3 CYS 76 2HB CYS 76 2.637 -1.569 12.262 583 H SER 77 H SER 77 -0.120 -0.353 14.397 584 HA SER 77 HA SER 77 -1.407 -2.844 13.635 585 HB2 SER 77 1HB SER 77 -0.734 -2.129 15.961 586 HB3 SER 77 2HB SER 77 -2.114 -1.014 15.950 587 HG SER 77 HG SER 77 -2.604 -3.073 16.915 588 H ASP 78 H ASP 78 -2.389 0.565 13.377 589 HA ASP 78 HA ASP 78 -5.203 0.015 12.881 590 HB2 ASP 78 1HB ASP 78 -3.431 2.370 13.013 591 HB3 ASP 78 2HB ASP 78 -4.550 2.461 11.672 592 H LEU 79 H LEU 79 -2.343 -0.326 10.985 593 HA LEU 79 HA LEU 79 -3.662 -0.133 8.377 594 HB2 LEU 79 1HB LEU 79 -0.999 -1.479 8.928 595 HB3 LEU 79 2HB LEU 79 -1.596 -0.749 7.444 596 HG LEU 79 HG LEU 79 -0.621 0.694 9.926 597 HD11 LEU 79 1HD1 LEU 79 1.121 -0.200 8.450 598 HD12 LEU 79 2HD1 LEU 79 0.359 0.572 7.043 599 HD13 LEU 79 3HD1 LEU 79 1.068 1.567 8.329 600 HD21 LEU 79 3HD2 LEU 79 -0.968 2.801 8.628 601 HD22 LEU 79 1HD2 LEU 79 -1.857 1.861 7.416 602 HD23 LEU 79 2HD2 LEU 79 -2.489 2.013 9.069 603 H LEU 80 H LEU 80 -3.576 -2.497 10.827 604 HA LEU 80 HA LEU 80 -3.899 -4.804 9.018 605 HB2 LEU 80 1HB LEU 80 -3.837 -4.738 12.045 606 HB3 LEU 80 2HB LEU 80 -3.691 -6.154 11.015 607 HG LEU 80 HG LEU 80 -1.660 -3.905 11.241 608 HD11 LEU 80 1HD1 LEU 80 -1.810 -5.362 13.237 609 HD12 LEU 80 2HD1 LEU 80 -1.586 -6.796 12.211 610 HD13 LEU 80 3HD1 LEU 80 -0.280 -5.608 12.384 611 HD21 LEU 80 3HD2 LEU 80 -0.159 -5.401 9.921 612 HD22 LEU 80 1HD2 LEU 80 -1.539 -6.472 9.609 613 HD23 LEU 80 2HD2 LEU 80 -1.532 -4.800 8.994 614 H THR 81 H THR 81 -5.992 -2.543 9.769 615 HA THR 81 HA THR 81 -8.190 -4.148 10.909 616 HB THR 81 HB THR 81 -9.392 -2.053 11.129 617 HG1 THR 81 1HG THR 81 -7.082 -0.781 10.075 618 HG21 THR 81 3HG2 THR 81 -7.945 -0.945 12.745 619 HG22 THR 81 1HG2 THR 81 -7.837 -2.704 12.913 620 HG23 THR 81 2HG2 THR 81 -6.525 -1.811 12.123 621 H ASP 82 H ASP 82 -10.421 -2.993 9.863 622 HA ASP 82 HA ASP 82 -10.692 -4.629 7.446 623 HB2 ASP 82 1HB ASP 82 -13.035 -4.582 8.002 624 HB3 ASP 82 2HB ASP 82 -12.094 -4.972 9.439 625 H ASP 83 H ASP 83 -10.010 -1.508 7.819 626 HA ASP 83 HA ASP 83 -11.073 -0.873 5.111 627 HB2 ASP 83 1HB ASP 83 -12.408 0.389 6.833 628 HB3 ASP 83 2HB ASP 83 -10.930 1.240 7.285 629 H ILE 84 H ILE 84 -9.503 -0.486 3.777 630 HA ILE 84 HA ILE 84 -6.746 -0.570 4.596 631 HB ILE 84 HB ILE 84 -6.209 -0.564 2.277 632 HG12 ILE 84 1HG1 ILE 84 -9.041 0.405 1.683 633 HG13 ILE 84 2HG1 ILE 84 -7.575 1.383 1.618 634 HG21 ILE 84 1HG2 ILE 84 -7.429 -2.579 3.206 635 HG22 ILE 84 2HG2 ILE 84 -8.913 -1.966 2.469 636 HG23 ILE 84 3HG2 ILE 84 -7.541 -2.421 1.451 637 HD11 ILE 84 3HD1 ILE 84 -8.215 0.780 -0.598 638 HD12 ILE 84 1HD1 ILE 84 -6.663 0.007 -0.183 639 HD13 ILE 84 2HD1 ILE 84 -8.172 -0.948 -0.209 640 H THR 85 H THR 85 -8.860 2.112 4.435 641 HA THR 85 HA THR 85 -7.337 4.109 3.240 642 HB THR 85 HB THR 85 -9.687 4.317 3.817 643 HG1 THR 85 1HG THR 85 -7.997 6.329 4.875 644 HG21 THR 85 3HG2 THR 85 -10.424 5.033 5.994 645 HG22 THR 85 1HG2 THR 85 -9.585 3.486 6.182 646 HG23 THR 85 2HG2 THR 85 -8.768 4.997 6.641 647 H LYS 86 H LYS 86 -6.840 2.889 6.524 648 HA LYS 86 HA LYS 86 -5.143 5.055 7.394 649 HB2 LYS 86 1HB LYS 86 -5.082 2.129 8.272 650 HB3 LYS 86 2HB LYS 86 -4.331 3.490 9.083 651 HG2 LYS 86 1HG LYS 86 -6.190 3.250 10.369 652 HG3 LYS 86 2HG LYS 86 -6.747 4.490 9.250 653 HD2 LYS 86 1HD LYS 86 -7.983 2.815 7.967 654 HD3 LYS 86 2HD LYS 86 -7.262 1.499 8.896 655 HE2 LYS 86 1HE LYS 86 -8.962 3.671 10.189 656 HE3 LYS 86 2HE LYS 86 -9.687 2.252 9.419 657 HZ1 LYS 86 3HZ LYS 86 -9.374 1.845 11.759 658 HZ2 LYS 86 1HZ LYS 86 -8.401 0.843 10.903 659 HZ3 LYS 86 2HZ LYS 86 -7.771 2.146 11.689 660 H ALA 87 H ALA 87 -4.550 2.205 5.414 661 HA ALA 87 HA ALA 87 -1.627 2.705 5.267 662 HB1 ALA 87 1HB ALA 87 -2.618 0.377 5.544 663 HB2 ALA 87 2HB ALA 87 -3.309 0.544 3.914 664 HB3 ALA 87 3HB ALA 87 -1.543 0.577 4.155 665 H ALA 88 H ALA 88 -4.551 2.833 3.196 666 HA ALA 88 HA ALA 88 -3.141 3.463 0.799 667 HB1 ALA 88 1HB ALA 88 -5.467 2.488 1.014 668 HB2 ALA 88 2HB ALA 88 -6.042 4.119 1.457 669 HB3 ALA 88 3HB ALA 88 -5.315 3.823 -0.130 670 H LYS 89 H LYS 89 -4.675 5.694 3.199 671 HA LYS 89 HA LYS 89 -3.957 8.072 1.675 672 HB2 LYS 89 1HB LYS 89 -4.595 7.684 4.610 673 HB3 LYS 89 2HB LYS 89 -4.528 9.243 3.784 674 HG2 LYS 89 1HG LYS 89 -6.469 7.018 3.007 675 HG3 LYS 89 2HG LYS 89 -6.842 8.275 4.185 676 HD2 LYS 89 1HD LYS 89 -6.766 9.999 2.521 677 HD3 LYS 89 2HD LYS 89 -6.018 8.929 1.332 678 HE2 LYS 89 1HE LYS 89 -8.396 9.290 0.840 679 HE3 LYS 89 2HE LYS 89 -8.010 7.591 1.113 680 HZ1 LYS 89 3HZ LYS 89 -10.072 8.322 2.233 681 HZ2 LYS 89 1HZ LYS 89 -8.989 7.713 3.286 682 HZ3 LYS 89 2HZ LYS 89 -9.218 9.340 3.184 683 H CYS 90 H CYS 90 -2.296 6.104 4.056 684 HA CYS 90 HA CYS 90 0.029 7.832 4.400 685 HB2 CYS 90 1HB CYS 90 -0.582 6.210 6.053 686 HB3 CYS 90 2HB CYS 90 -0.520 4.884 4.892 687 H ALA 91 H ALA 91 -0.777 5.131 2.157 688 HA ALA 91 HA ALA 91 1.627 5.186 0.665 689 HB1 ALA 91 1HB ALA 91 -0.129 3.424 0.600 690 HB2 ALA 91 2HB ALA 91 -1.182 4.532 -0.292 691 HB3 ALA 91 3HB ALA 91 0.343 3.998 -1.016 692 H LYS 92 H LYS 92 -1.357 7.258 0.191 693 HA LYS 92 HA LYS 92 -0.239 8.710 -1.996 694 HB2 LYS 92 1HB LYS 92 -2.019 9.948 0.118 695 HB3 LYS 92 2HB LYS 92 -1.813 10.433 -1.556 696 HG2 LYS 92 1HG LYS 92 -3.296 8.047 -0.463 697 HG3 LYS 92 2HG LYS 92 -3.946 9.412 -1.299 698 HD2 LYS 92 1HD LYS 92 -2.342 7.108 -2.447 699 HD3 LYS 92 2HD LYS 92 -4.024 7.494 -2.734 700 HE2 LYS 92 1HE LYS 92 -1.639 9.156 -3.680 701 HE3 LYS 92 2HE LYS 92 -2.586 8.048 -4.674 702 HZ1 LYS 92 3HZ LYS 92 -3.303 10.346 -4.966 703 HZ2 LYS 92 1HZ LYS 92 -4.527 9.473 -4.333 704 HZ3 LYS 92 2HZ LYS 92 -3.671 10.495 -3.382 705 H LYS 93 H LYS 93 0.128 9.258 1.523 706 HA LYS 93 HA LYS 93 1.762 11.611 1.272 707 HB2 LYS 93 1HB LYS 93 0.448 11.013 3.269 708 HB3 LYS 93 2HB LYS 93 1.475 9.615 3.548 709 HG2 LYS 93 1HG LYS 93 2.012 11.444 5.056 710 HG3 LYS 93 2HG LYS 93 3.397 11.058 4.037 711 HD2 LYS 93 1HD LYS 93 3.027 13.049 2.675 712 HD3 LYS 93 2HD LYS 93 1.457 13.330 3.451 713 HE2 LYS 93 1HE LYS 93 2.951 14.880 4.447 714 HE3 LYS 93 2HE LYS 93 2.660 13.621 5.653 715 HZ1 LYS 93 3HZ LYS 93 5.001 14.176 5.513 716 HZ2 LYS 93 1HZ LYS 93 4.812 12.633 5.032 717 HZ3 LYS 93 2HZ LYS 93 5.061 13.812 3.917 718 H ILE 94 H ILE 94 2.628 8.194 1.119 719 HA ILE 94 HA ILE 94 5.526 8.693 1.021 720 HB ILE 94 HB ILE 94 3.826 6.333 0.111 721 HG12 ILE 94 1HG1 ILE 94 5.746 6.507 2.439 722 HG13 ILE 94 2HG1 ILE 94 4.057 6.904 2.645 723 HG21 ILE 94 1HG2 ILE 94 5.867 6.379 -1.230 724 HG22 ILE 94 2HG2 ILE 94 6.853 6.707 0.206 725 HG23 ILE 94 3HG2 ILE 94 6.053 5.131 -0.005 726 HD11 ILE 94 3HD1 ILE 94 4.428 4.640 3.374 727 HD12 ILE 94 1HD1 ILE 94 3.427 4.606 1.915 728 HD13 ILE 94 2HD1 ILE 94 5.155 4.186 1.825 729 H TYR 95 H TYR 95 2.978 8.236 -1.452 730 HA TYR 95 HA TYR 95 4.570 8.455 -3.732 731 HB2 TYR 95 1HB TYR 95 2.533 7.593 -4.131 732 HB3 TYR 95 2HB TYR 95 1.692 8.694 -3.064 733 HD1 TYR 95 2HD TYR 95 1.347 11.143 -3.814 734 HD2 TYR 95 1HD TYR 95 2.267 7.872 -6.469 735 HE1 TYR 95 2HE TYR 95 0.423 12.435 -5.728 736 HE2 TYR 95 1HE TYR 95 1.355 9.161 -8.383 737 HH TYR 95 HH TYR 95 0.377 11.130 -9.072 738 H LYS 96 H LYS 96 3.506 11.058 -1.682 739 HA LYS 96 HA LYS 96 4.069 13.347 -3.268 740 HB2 LYS 96 1HB LYS 96 4.396 12.663 -0.324 741 HB3 LYS 96 2HB LYS 96 4.713 14.286 -0.920 742 HG2 LYS 96 1HG LYS 96 2.023 12.884 -1.211 743 HG3 LYS 96 2HG LYS 96 2.450 13.989 0.095 744 HD2 LYS 96 1HD LYS 96 2.847 15.798 -1.578 745 HD3 LYS 96 2HD LYS 96 2.332 14.694 -2.873 746 HE2 LYS 96 1HE LYS 96 0.124 14.423 -1.775 747 HE3 LYS 96 2HE LYS 96 0.630 15.512 -0.476 748 HZ1 LYS 96 3HZ LYS 96 -0.669 16.683 -2.149 749 HZ2 LYS 96 1HZ LYS 96 0.849 17.283 -2.130 750 HZ3 LYS 96 2HZ LYS 96 0.380 16.278 -3.334 751 H ARG 97 H ARG 97 6.346 11.089 -1.796 752 HA ARG 97 HA ARG 97 8.677 12.733 -2.755 753 HB2 ARG 97 1HB ARG 97 8.572 10.732 -0.507 754 HB3 ARG 97 2HB ARG 97 10.013 11.534 -1.149 755 HG2 ARG 97 1HG ARG 97 8.764 13.783 -0.646 756 HG3 ARG 97 2HG ARG 97 7.677 12.778 0.343 757 HD2 ARG 97 1HD ARG 97 9.888 11.817 1.327 758 HD3 ARG 97 2HD ARG 97 10.675 13.214 0.618 759 HE ARG 97 HE ARG 97 9.777 14.598 2.240 760 HH11 ARG 97 1HH1 ARG 97 8.030 11.541 2.445 761 HH12 ARG 97 2HH1 ARG 97 7.435 11.872 4.054 762 HH21 ARG 97 1HH2 ARG 97 9.004 14.941 4.349 763 HH22 ARG 97 2HH2 ARG 97 8.060 13.698 5.135 764 H HIS 98 H HIS 98 7.212 9.516 -2.679 765 HA HIS 98 HA HIS 98 9.000 8.515 -4.862 766 HB2 HIS 98 1HB HIS 98 8.360 7.192 -2.191 767 HB3 HIS 98 2HB HIS 98 9.178 6.403 -3.530 768 HD2 HIS 98 2HD HIS 98 9.860 8.387 -0.468 769 HE1 HIS 98 1HE HIS 98 13.493 8.566 -2.679 770 HE2 HIS 98 2HE HIS 98 12.414 9.024 -0.417 771 H ARG 99 H ARG 99 7.151 8.844 -6.266 772 HA ARG 99 HA ARG 99 4.529 8.227 -5.845 773 HB2 ARG 99 1HB ARG 99 4.134 8.215 -8.139 774 HB3 ARG 99 2HB ARG 99 5.161 9.538 -7.592 775 HG2 ARG 99 1HG ARG 99 7.168 8.336 -8.505 776 HG3 ARG 99 2HG ARG 99 6.084 7.046 -9.104 777 HD2 ARG 99 1HD ARG 99 4.746 8.756 -10.272 778 HD3 ARG 99 2HD ARG 99 5.851 10.009 -9.730 779 HE ARG 99 HE ARG 99 6.254 8.062 -11.902 780 HH11 ARG 99 1HH2 ARG 99 8.005 10.293 -9.777 781 HH12 ARG 99 2HH2 ARG 99 9.374 10.368 -10.844 782 HH21 ARG 99 1HH1 ARG 99 8.053 8.205 -13.218 783 HH22 ARG 99 2HH1 ARG 99 9.398 9.203 -12.760 784 H PHE 100 H PHE 100 6.898 5.936 -7.160 785 HA PHE 100 HA PHE 100 5.310 3.681 -6.035 786 HB2 PHE 100 1HB PHE 100 6.546 3.628 -8.808 787 HB3 PHE 100 2HB PHE 100 5.677 2.337 -7.984 788 HD1 PHE 100 1HD PHE 100 3.219 2.804 -7.262 789 HD2 PHE 100 2HD PHE 100 5.326 5.017 -10.304 790 HE1 PHE 100 1HE PHE 100 1.067 3.536 -8.214 791 HE2 PHE 100 2HE PHE 100 3.156 5.773 -11.248 792 HZ PHE 100 HZ PHE 100 1.022 5.029 -10.203 793 H ASP 101 H ASP 101 8.254 5.284 -6.227 794 HA ASP 101 HA ASP 101 10.133 3.232 -6.607 795 HB2 ASP 101 1HB ASP 101 10.665 5.844 -5.169 796 HB3 ASP 101 2HB ASP 101 11.738 4.938 -6.219 797 H ALA 102 H ALA 102 8.418 4.039 -3.732 798 HA ALA 102 HA ALA 102 10.436 3.124 -1.826 799 HB1 ALA 102 1HB ALA 102 8.847 4.931 -1.282 800 HB2 ALA 102 2HB ALA 102 7.481 3.811 -1.504 801 HB3 ALA 102 3HB ALA 102 8.638 3.560 -0.183 802 H TRP 103 H TRP 103 8.447 1.420 -3.918 803 HA TRP 103 HA TRP 103 8.248 -0.966 -2.112 804 HB2 TRP 103 1HB TRP 103 6.378 0.031 -4.298 805 HB3 TRP 103 2HB TRP 103 6.201 -1.489 -3.436 806 HD1 TRP 103 HD TRP 103 5.551 -1.380 -0.841 807 HE1 TRP 103 1HE TRP 103 4.099 0.255 0.439 808 HE3 TRP 103 3HE TRP 103 5.943 2.628 -3.985 809 HZ2 TRP 103 2HZ TRP 103 3.022 2.942 0.034 810 HZ3 TRP 103 3HZ TRP 103 4.672 4.704 -3.541 811 HH2 TRP 103 HH TRP 103 3.154 4.851 -1.574 812 H TYR 104 H TYR 104 8.664 -2.929 -2.810 813 HA TYR 104 HA TYR 104 10.456 -3.115 -5.153 814 HB2 TYR 104 1HB TYR 104 11.042 -3.941 -2.818 815 HB3 TYR 104 2HB TYR 104 9.861 -5.227 -3.062 816 HD1 TYR 104 2HD TYR 104 12.893 -3.615 -4.480 817 HD2 TYR 104 1HD TYR 104 10.481 -7.173 -4.356 818 HE1 TYR 104 2HE TYR 104 14.637 -4.836 -5.808 819 HE2 TYR 104 1HE TYR 104 12.209 -8.408 -5.663 820 HH TYR 104 HH TYR 104 14.258 -8.292 -6.710 821 H GLY 105 H GLY 105 7.353 -4.352 -3.985 822 HA2 GLY 105 1HA GLY 105 6.830 -6.290 -6.021 823 HA3 GLY 105 2HA GLY 105 5.611 -5.427 -5.048 824 H TRP 106 H TRP 106 6.782 -2.800 -6.177 825 HA TRP 106 HA TRP 106 5.341 -2.764 -8.744 826 HB2 TRP 106 1HB TRP 106 5.055 -0.884 -7.278 827 HB3 TRP 106 2HB TRP 106 6.786 -0.591 -7.205 828 HD1 TRP 106 HD TRP 106 3.793 -0.258 -9.586 829 HE1 TRP 106 1HE TRP 106 4.428 1.234 -11.582 830 HE3 TRP 106 3HE TRP 106 8.680 0.572 -8.424 831 HZ2 TRP 106 2HZ TRP 106 6.817 2.511 -12.610 832 HZ3 TRP 106 3HZ TRP 106 10.158 1.831 -9.947 833 HH2 TRP 106 HH TRP 106 9.238 2.826 -12.053 834 H LYS 107 H LYS 107 8.723 -1.764 -7.840 835 HA LYS 107 HA LYS 107 9.479 -1.602 -10.551 836 HB2 LYS 107 1HB LYS 107 11.792 -1.353 -9.752 837 HB3 LYS 107 2HB LYS 107 10.654 -0.352 -8.871 838 HG2 LYS 107 1HG LYS 107 10.627 -2.046 -7.037 839 HG3 LYS 107 2HG LYS 107 11.865 -2.966 -7.905 840 HD2 LYS 107 1HD LYS 107 12.996 -1.715 -6.238 841 HD3 LYS 107 2HD LYS 107 13.344 -0.892 -7.766 842 HE2 LYS 107 1HE LYS 107 11.588 0.795 -7.262 843 HE3 LYS 107 2HE LYS 107 11.141 -0.087 -5.798 844 HZ1 LYS 107 3HZ LYS 107 12.559 1.731 -5.221 845 HZ2 LYS 107 1HZ LYS 107 13.397 0.359 -4.947 846 HZ3 LYS 107 2HZ LYS 107 13.737 1.267 -6.269 847 H ASN 108 H ASN 108 9.539 -4.494 -8.554 848 HA ASN 108 HA ASN 108 11.288 -5.955 -10.361 849 HB2 ASN 108 1HB ASN 108 11.127 -6.273 -7.882 850 HB3 ASN 108 2HB ASN 108 9.521 -6.971 -8.105 851 HD21 ASN 108 2HD2 ASN 108 12.952 -7.366 -9.231 852 HD22 ASN 108 1HD2 ASN 108 12.855 -9.115 -9.320 853 H HIS 109 H HIS 109 7.970 -5.167 -10.617 854 HA HIS 109 HA HIS 109 7.483 -7.413 -12.560 855 HB2 HIS 109 1HB HIS 109 5.612 -6.425 -10.373 856 HB3 HIS 109 2HB HIS 109 5.196 -7.588 -11.628 857 HD2 HIS 109 2HD HIS 109 6.912 -7.326 -8.263 858 HE1 HIS 109 1HE HIS 109 7.370 -11.377 -9.482 859 HE2 HIS 109 2HE HIS 109 7.655 -9.748 -7.547 860 H CYS 110 H CYS 110 6.306 -4.191 -11.494 861 HA CYS 110 HA CYS 110 4.436 -3.844 -13.623 862 HB2 CYS 110 1HB CYS 110 5.800 -1.835 -11.785 863 HB3 CYS 110 2HB CYS 110 4.408 -1.485 -12.792 864 H GLN 111 H GLN 111 7.869 -3.304 -13.605 865 HA GLN 111 HA GLN 111 7.872 -1.570 -15.987 866 HB2 GLN 111 1HB GLN 111 10.120 -3.033 -14.542 867 HB3 GLN 111 2HB GLN 111 10.321 -1.878 -15.865 868 HG2 GLN 111 1HG GLN 111 9.212 -0.112 -14.469 869 HG3 GLN 111 2HG GLN 111 9.150 -1.249 -13.116 870 HE21 GLN 111 2HE2 GLN 111 11.374 -2.235 -12.460 871 HE22 GLN 111 1HE2 GLN 111 12.738 -1.126 -12.563 872 H GLY 112 H GLY 112 7.536 -4.956 -15.434 873 HA2 GLY 112 1HA GLY 112 8.423 -5.722 -18.179 874 HA3 GLY 112 2HA GLY 112 7.991 -6.808 -16.838 875 H SER 113 H SER 113 5.535 -5.955 -16.023 876 HA SER 113 HA SER 113 3.635 -5.555 -18.206 877 HB2 SER 113 1HB SER 113 4.118 -8.317 -17.042 878 HB3 SER 113 2HB SER 113 2.514 -7.838 -17.598 879 HG SER 113 HG SER 113 4.830 -7.630 -19.242 880 H LEU 114 H LEU 114 1.502 -5.202 -17.481 881 HA LEU 114 HA LEU 114 1.037 -5.194 -14.535 882 HB2 LEU 114 1HB LEU 114 0.171 -3.276 -16.740 883 HB3 LEU 114 2HB LEU 114 -0.560 -3.272 -15.144 884 HG LEU 114 HG LEU 114 2.429 -2.847 -15.599 885 HD11 LEU 114 1HD1 LEU 114 1.063 -1.091 -16.684 886 HD12 LEU 114 2HD1 LEU 114 0.241 -0.793 -15.128 887 HD13 LEU 114 3HD1 LEU 114 1.983 -0.479 -15.296 888 HD21 LEU 114 3HD2 LEU 114 2.233 -1.825 -13.288 889 HD22 LEU 114 1HD2 LEU 114 0.588 -2.467 -13.190 890 HD23 LEU 114 2HD2 LEU 114 1.970 -3.576 -13.323 891 HA PRO 115 HA PRO 115 -2.656 -7.614 -15.405 892 HB2 PRO 115 1HB PRO 115 -4.223 -6.994 -13.279 893 HB3 PRO 115 2HB PRO 115 -2.724 -7.966 -13.099 894 HG2 PRO 115 1HG PRO 115 -3.097 -4.989 -12.626 895 HG3 PRO 115 2HG PRO 115 -2.303 -6.190 -11.554 896 HD2 PRO 115 1HD PRO 115 -0.897 -4.604 -13.281 897 HD3 PRO 115 2HD PRO 115 -0.391 -6.284 -12.924 898 H ASP 116 H ASP 116 -4.833 -7.314 -16.131 899 HA ASP 116 HA ASP 116 -5.530 -4.591 -17.023 900 HB2 ASP 116 1HB ASP 116 -5.751 -6.462 -18.586 901 HB3 ASP 116 2HB ASP 116 -6.879 -7.267 -17.489 902 H ILE 117 H ILE 117 -7.383 -3.578 -16.547 903 HA ILE 117 HA ILE 117 -9.012 -4.335 -14.152 904 HB ILE 117 HB ILE 117 -8.893 -2.013 -13.356 905 HG12 ILE 117 1HG1 ILE 117 -6.726 -1.555 -15.462 906 HG13 ILE 117 2HG1 ILE 117 -8.390 -1.002 -15.632 907 HG21 ILE 117 1HG2 ILE 117 -7.326 -3.749 -12.471 908 HG22 ILE 117 2HG2 ILE 117 -6.087 -3.179 -13.608 909 HG23 ILE 117 3HG2 ILE 117 -6.699 -2.104 -12.335 910 HD11 ILE 117 3HD1 ILE 117 -7.047 0.811 -14.875 911 HD12 ILE 117 1HD1 ILE 117 -8.169 0.341 -13.579 912 HD13 ILE 117 2HD1 ILE 117 -6.448 -0.134 -13.495 913 H SER 118 H SER 118 -9.087 -3.585 -17.373 914 HA SER 118 HA SER 118 -11.027 -1.567 -17.624 915 HB2 SER 118 1HB SER 118 -10.562 -3.872 -19.550 916 HB3 SER 118 2HB SER 118 -11.264 -2.292 -19.923 917 HG SER 118 HG SER 118 -8.584 -2.970 -19.287 918 H SER 119 H SER 119 -11.660 -4.760 -16.522 919 HA SER 119 HA SER 119 -14.535 -4.754 -17.220 920 HB2 SER 119 1HB SER 119 -14.448 -6.928 -15.977 921 HB3 SER 119 2HB SER 119 -13.386 -6.845 -17.394 922 HG SER 119 HG SER 119 -12.330 -7.765 -15.548 923 H CYS 120 H CYS 120 -12.618 -3.391 -14.781 924 HA CYS 120 HA CYS 120 -14.469 -3.839 -12.537 925 HB2 CYS 120 1HB CYS 120 -11.864 -2.304 -12.673 926 HB3 CYS 120 2HB CYS 120 -12.706 -2.817 -11.215 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -9.318 -7.544 10.161 2 H2 GLY 1 2H GLY 1 -8.135 -8.654 10.443 3 H3 GLY 1 3H GLY 1 -7.834 -7.054 10.690 4 HA2 GLY 1 1HA GLY 1 -8.137 -6.581 8.364 5 HA3 GLY 1 2HA GLY 1 -6.798 -7.699 8.654 6 H LYS 2 H LYS 2 -7.901 -7.559 6.196 7 HA LYS 2 HA LYS 2 -9.151 -10.163 5.708 8 HB2 LYS 2 1HB LYS 2 -11.154 -9.280 4.680 9 HB3 LYS 2 2HB LYS 2 -11.061 -8.697 6.341 10 HG2 LYS 2 1HG LYS 2 -10.179 -6.506 5.520 11 HG3 LYS 2 2HG LYS 2 -10.318 -7.083 3.856 12 HD2 LYS 2 1HD LYS 2 -12.651 -6.804 5.790 13 HD3 LYS 2 2HD LYS 2 -12.176 -5.603 4.578 14 HE2 LYS 2 1HE LYS 2 -12.513 -7.279 2.770 15 HE3 LYS 2 2HE LYS 2 -13.049 -8.463 3.972 16 HZ1 LYS 2 3HZ LYS 2 -14.929 -7.343 2.938 17 HZ2 LYS 2 1HZ LYS 2 -14.887 -6.971 4.528 18 HZ3 LYS 2 2HZ LYS 2 -14.393 -5.875 3.417 19 H THR 3 H THR 3 -9.458 -10.604 3.402 20 HA THR 3 HA THR 3 -7.399 -9.262 1.716 21 HB THR 3 HB THR 3 -8.537 -12.026 1.246 22 HG1 THR 3 1HG THR 3 -6.725 -12.767 2.349 23 HG21 THR 3 3HG2 THR 3 -6.347 -12.264 0.030 24 HG22 THR 3 1HG2 THR 3 -7.355 -10.985 -0.664 25 HG23 THR 3 2HG2 THR 3 -5.992 -10.559 0.391 26 H PHE 4 H PHE 4 -7.905 -8.296 -0.068 27 HA PHE 4 HA PHE 4 -10.730 -8.114 -0.960 28 HB2 PHE 4 1HB PHE 4 -8.255 -6.424 -1.483 29 HB3 PHE 4 2HB PHE 4 -9.785 -6.127 -2.261 30 HD1 PHE 4 1HD PHE 4 -8.190 -6.340 1.153 31 HD2 PHE 4 2HD PHE 4 -11.419 -4.730 -1.222 32 HE1 PHE 4 1HE PHE 4 -9.005 -5.070 3.110 33 HE2 PHE 4 2HE PHE 4 -12.229 -3.478 0.747 34 HZ PHE 4 HZ PHE 4 -11.041 -3.654 2.925 35 H THR 5 H THR 5 -11.210 -8.163 -3.180 36 HA THR 5 HA THR 5 -9.486 -9.890 -4.920 37 HB THR 5 HB THR 5 -11.754 -10.737 -4.590 38 HG1 THR 5 1HG THR 5 -12.082 -11.013 -6.795 39 HG21 THR 5 3HG2 THR 5 -13.684 -9.617 -5.612 40 HG22 THR 5 1HG2 THR 5 -13.025 -8.610 -4.318 41 HG23 THR 5 2HG2 THR 5 -12.691 -8.206 -6.017 42 H ARG 6 H ARG 6 -9.306 -9.124 -7.235 43 HA ARG 6 HA ARG 6 -8.084 -6.587 -7.182 44 HB2 ARG 6 1HB ARG 6 -7.584 -8.413 -8.791 45 HB3 ARG 6 2HB ARG 6 -9.060 -8.023 -9.681 46 HG2 ARG 6 1HG ARG 6 -8.219 -5.739 -10.121 47 HG3 ARG 6 2HG ARG 6 -6.781 -6.046 -9.137 48 HD2 ARG 6 1HD ARG 6 -7.523 -7.546 -11.680 49 HD3 ARG 6 2HD ARG 6 -6.389 -6.192 -11.593 50 HE ARG 6 HE ARG 6 -5.178 -7.720 -9.822 51 HH11 ARG 6 1HH1 ARG 6 -6.736 -9.048 -12.725 52 HH12 ARG 6 2HH1 ARG 6 -5.596 -10.357 -12.821 53 HH21 ARG 6 1HH2 ARG 6 -3.682 -9.265 -10.113 54 HH22 ARG 6 2HH2 ARG 6 -3.894 -10.506 -11.331 55 H CYS 7 H CYS 7 -11.314 -7.373 -8.610 56 HA CYS 7 HA CYS 7 -11.903 -4.650 -9.328 57 HB2 CYS 7 1HB CYS 7 -14.196 -5.401 -9.606 58 HB3 CYS 7 2HB CYS 7 -13.064 -6.529 -10.337 59 H GLY 8 H GLY 8 -12.280 -6.323 -6.248 60 HA2 GLY 8 1HA GLY 8 -13.861 -4.263 -4.934 61 HA3 GLY 8 2HA GLY 8 -12.914 -5.557 -4.151 62 H LEU 9 H LEU 9 -10.343 -5.044 -5.008 63 HA LEU 9 HA LEU 9 -9.443 -2.807 -3.498 64 HB2 LEU 9 1HB LEU 9 -8.163 -4.892 -3.966 65 HB3 LEU 9 2HB LEU 9 -8.075 -4.470 -5.675 66 HG LEU 9 HG LEU 9 -6.803 -2.425 -5.106 67 HD11 LEU 9 1HD1 LEU 9 -7.584 -1.925 -2.871 68 HD12 LEU 9 2HD1 LEU 9 -7.018 -3.495 -2.270 69 HD13 LEU 9 3HD1 LEU 9 -5.848 -2.240 -2.774 70 HD21 LEU 9 3HD2 LEU 9 -4.716 -3.521 -4.631 71 HD22 LEU 9 1HD2 LEU 9 -5.547 -4.903 -3.878 72 HD23 LEU 9 2HD2 LEU 9 -5.682 -4.614 -5.629 73 H VAL 10 H VAL 10 -9.680 -3.169 -7.083 74 HA VAL 10 HA VAL 10 -8.896 -0.581 -7.856 75 HB VAL 10 HB VAL 10 -11.044 -2.409 -8.995 76 HG11 VAL 10 1HG1 VAL 10 -11.761 -0.253 -9.758 77 HG12 VAL 10 2HG1 VAL 10 -10.108 0.262 -10.101 78 HG13 VAL 10 3HG1 VAL 10 -10.881 -0.983 -11.098 79 HG21 VAL 10 3HG2 VAL 10 -9.430 -2.821 -10.773 80 HG22 VAL 10 1HG2 VAL 10 -8.295 -1.652 -10.067 81 HG23 VAL 10 2HG2 VAL 10 -8.669 -3.157 -9.219 82 H HIS 11 H HIS 11 -12.146 -1.624 -6.752 83 HA HIS 11 HA HIS 11 -13.365 0.994 -6.915 84 HB2 HIS 11 1HB HIS 11 -14.127 -1.550 -5.440 85 HB3 HIS 11 2HB HIS 11 -15.092 -0.089 -5.403 86 HD2 HIS 11 2HD HIS 11 -13.707 -0.554 -8.875 87 HE1 HIS 11 1HE HIS 11 -17.581 -2.309 -8.945 88 HE2 HIS 11 2HE HIS 11 -15.633 -1.543 -10.384 89 H GLU 12 H GLU 12 -11.907 -0.772 -4.154 90 HA GLU 12 HA GLU 12 -12.556 1.146 -2.157 91 HB2 GLU 12 1HB GLU 12 -11.533 -1.355 -2.129 92 HB3 GLU 12 2HB GLU 12 -10.030 -0.478 -1.954 93 HG2 GLU 12 1HG GLU 12 -10.947 -1.147 0.204 94 HG3 GLU 12 2HG GLU 12 -10.948 0.619 0.076 95 H LEU 13 H LEU 13 -9.677 0.884 -4.258 96 HA LEU 13 HA LEU 13 -8.363 3.231 -3.162 97 HB2 LEU 13 1HB LEU 13 -8.068 1.790 -5.809 98 HB3 LEU 13 2HB LEU 13 -6.911 2.951 -5.165 99 HG LEU 13 HG LEU 13 -7.600 0.316 -3.852 100 HD11 LEU 13 1HD1 LEU 13 -6.473 -0.002 -5.987 101 HD12 LEU 13 2HD1 LEU 13 -5.210 1.167 -5.521 102 HD13 LEU 13 3HD1 LEU 13 -5.358 -0.384 -4.657 103 HD21 LEU 13 3HD2 LEU 13 -5.637 0.683 -2.467 104 HD22 LEU 13 1HD2 LEU 13 -5.385 2.288 -3.212 105 HD23 LEU 13 2HD2 LEU 13 -6.821 1.968 -2.210 106 H ARG 14 H ARG 14 -10.508 2.729 -5.973 107 HA ARG 14 HA ARG 14 -10.481 5.423 -6.952 108 HB2 ARG 14 1HB ARG 14 -12.593 3.257 -7.009 109 HB3 ARG 14 2HB ARG 14 -12.916 4.864 -7.656 110 HG2 ARG 14 1HG ARG 14 -11.225 4.690 -9.325 111 HG3 ARG 14 2HG ARG 14 -10.547 3.222 -8.599 112 HD2 ARG 14 1HD ARG 14 -12.560 1.965 -9.071 113 HD3 ARG 14 2HD ARG 14 -13.374 3.417 -9.708 114 HE ARG 14 HE ARG 14 -11.021 3.054 -11.202 115 HH11 ARG 14 1HH1 ARG 14 -14.111 1.357 -10.757 116 HH12 ARG 14 2HH1 ARG 14 -13.905 0.438 -12.235 117 HH21 ARG 14 1HH2 ARG 14 -10.937 1.865 -13.181 118 HH22 ARG 14 2HH2 ARG 14 -12.225 0.743 -13.540 119 H LYS 15 H LYS 15 -12.459 3.980 -4.312 120 HA LYS 15 HA LYS 15 -13.857 6.417 -3.600 121 HB2 LYS 15 1HB LYS 15 -13.158 3.893 -2.049 122 HB3 LYS 15 2HB LYS 15 -14.150 5.193 -1.399 123 HG2 LYS 15 1HG LYS 15 -15.922 4.794 -2.940 124 HG3 LYS 15 2HG LYS 15 -14.911 3.798 -3.990 125 HD2 LYS 15 1HD LYS 15 -16.406 2.359 -2.717 126 HD3 LYS 15 2HD LYS 15 -14.728 2.071 -2.246 127 HE2 LYS 15 1HE LYS 15 -15.137 3.683 -0.283 128 HE3 LYS 15 2HE LYS 15 -16.853 3.634 -0.711 129 HZ1 LYS 15 3HZ LYS 15 -16.353 2.001 0.983 130 HZ2 LYS 15 1HZ LYS 15 -16.706 1.179 -0.389 131 HZ3 LYS 15 2HZ LYS 15 -15.142 1.345 0.103 132 H HIS 16 H HIS 16 -10.771 5.005 -2.518 133 HA HIS 16 HA HIS 16 -10.328 7.073 -0.531 134 HB2 HIS 16 1HB HIS 16 -8.646 4.718 -1.467 135 HB3 HIS 16 2HB HIS 16 -8.245 5.772 -0.111 136 HD2 HIS 16 2HD HIS 16 -8.398 3.094 0.925 137 HE1 HIS 16 1HE HIS 16 -12.521 3.455 1.826 138 HE2 HIS 16 2HE HIS 16 -10.438 2.137 2.325 139 H GLY 17 H GLY 17 -9.966 7.404 -3.768 140 HA2 GLY 17 1HA GLY 17 -9.292 9.431 -4.732 141 HA3 GLY 17 2HA GLY 17 -8.261 9.786 -3.327 142 H PHE 18 H PHE 18 -8.153 6.806 -5.298 143 HA PHE 18 HA PHE 18 -5.396 7.479 -6.211 144 HB2 PHE 18 1HB PHE 18 -6.977 4.919 -6.085 145 HB3 PHE 18 2HB PHE 18 -5.426 5.051 -6.889 146 HD1 PHE 18 2HD PHE 18 -6.954 5.832 -3.491 147 HD2 PHE 18 1HD PHE 18 -3.532 4.443 -5.696 148 HE1 PHE 18 2HE PHE 18 -5.751 5.502 -1.394 149 HE2 PHE 18 1HE PHE 18 -2.335 4.019 -3.564 150 HZ PHE 18 HZ PHE 18 -3.436 4.541 -1.403 151 H GLU 19 H GLU 19 -4.915 7.700 -8.373 152 HA GLU 19 HA GLU 19 -7.052 8.578 -10.094 153 HB2 GLU 19 1HB GLU 19 -4.109 8.088 -10.673 154 HB3 GLU 19 2HB GLU 19 -5.227 8.912 -11.752 155 HG2 GLU 19 1HG GLU 19 -4.395 9.865 -8.983 156 HG3 GLU 19 2HG GLU 19 -3.791 10.471 -10.520 157 H GLU 20 H GLU 20 -8.111 7.565 -11.730 158 HA GLU 20 HA GLU 20 -8.059 4.771 -12.016 159 HB2 GLU 20 1HB GLU 20 -9.567 5.054 -13.877 160 HB3 GLU 20 2HB GLU 20 -9.991 6.140 -12.555 161 HG2 GLU 20 1HG GLU 20 -8.877 8.027 -13.782 162 HG3 GLU 20 2HG GLU 20 -8.525 6.926 -15.116 163 H ASN 21 H ASN 21 -6.108 7.157 -13.767 164 HA ASN 21 HA ASN 21 -5.200 5.235 -15.757 165 HB2 ASN 21 1HB ASN 21 -3.937 6.938 -16.679 166 HB3 ASN 21 2HB ASN 21 -5.369 7.757 -16.078 167 HD21 ASN 21 2HD2 ASN 21 -5.087 9.314 -14.322 168 HD22 ASN 21 1HD2 ASN 21 -3.486 9.791 -13.804 169 H LEU 22 H LEU 22 -4.299 5.862 -12.487 170 HA LEU 22 HA LEU 22 -1.674 4.446 -12.760 171 HB2 LEU 22 1HB LEU 22 -2.897 5.934 -10.401 172 HB3 LEU 22 2HB LEU 22 -1.288 5.234 -10.469 173 HG LEU 22 HG LEU 22 -2.298 7.619 -12.057 174 HD11 LEU 22 1HD1 LEU 22 -1.833 8.029 -9.658 175 HD12 LEU 22 2HD1 LEU 22 -0.198 7.368 -9.861 176 HD13 LEU 22 3HD1 LEU 22 -0.667 8.866 -10.696 177 HD21 LEU 22 3HD2 LEU 22 0.012 7.890 -12.878 178 HD22 LEU 22 1HD2 LEU 22 0.471 6.341 -12.134 179 HD23 LEU 22 2HD2 LEU 22 -0.703 6.390 -13.469 180 H MET 23 H MET 23 -4.935 3.862 -11.898 181 HA MET 23 HA MET 23 -4.852 2.208 -9.724 182 HB2 MET 23 1HB MET 23 -6.811 3.103 -11.099 183 HB3 MET 23 2HB MET 23 -6.630 1.708 -12.134 184 HG2 MET 23 1HG MET 23 -8.389 1.368 -10.444 185 HG3 MET 23 2HG MET 23 -7.085 0.205 -10.221 186 HE1 MET 23 3HE MET 23 -8.090 3.859 -7.631 187 HE2 MET 23 1HE MET 23 -6.865 4.097 -8.901 188 HE3 MET 23 2HE MET 23 -8.506 3.581 -9.327 189 H ARG 24 H ARG 24 -4.240 1.094 -13.089 190 HA ARG 24 HA ARG 24 -3.858 -1.653 -12.594 191 HB2 ARG 24 1HB ARG 24 -2.291 0.096 -14.555 192 HB3 ARG 24 2HB ARG 24 -2.461 -1.661 -14.602 193 HG2 ARG 24 1HG ARG 24 -4.929 -1.373 -14.932 194 HG3 ARG 24 2HG ARG 24 -4.666 0.382 -15.006 195 HD2 ARG 24 1HD ARG 24 -4.812 -0.392 -17.248 196 HD3 ARG 24 2HD ARG 24 -3.118 0.030 -16.938 197 HE ARG 24 HE ARG 24 -3.680 -2.774 -16.416 198 HH11 ARG 24 1HH1 ARG 24 -3.135 -0.584 -19.145 199 HH12 ARG 24 2HH1 ARG 24 -2.547 -1.860 -20.166 200 HH21 ARG 24 1HH2 ARG 24 -2.814 -4.355 -17.760 201 HH22 ARG 24 2HH2 ARG 24 -2.400 -3.964 -19.400 202 H ASN 25 H ASN 25 -1.425 0.983 -12.478 203 HA ASN 25 HA ASN 25 0.825 -0.598 -11.720 204 HB2 ASN 25 1HB ASN 25 0.352 2.334 -11.055 205 HB3 ASN 25 2HB ASN 25 1.892 1.505 -11.202 206 HD21 ASN 25 2HD2 ASN 25 2.921 1.650 -13.218 207 HD22 ASN 25 1HD2 ASN 25 2.107 2.197 -14.669 208 H TRP 26 H TRP 26 -1.567 1.244 -9.764 209 HA TRP 26 HA TRP 26 -0.394 0.673 -7.228 210 HB2 TRP 26 1HB TRP 26 -3.125 1.614 -8.142 211 HB3 TRP 26 2HB TRP 26 -2.800 1.259 -6.455 212 HD1 TRP 26 HD TRP 26 -2.715 4.079 -8.726 213 HE1 TRP 26 1HE TRP 26 -1.490 6.067 -7.674 214 HE3 TRP 26 3HE TRP 26 -0.248 1.613 -4.977 215 HZ2 TRP 26 2HZ TRP 26 0.121 6.567 -5.315 216 HZ3 TRP 26 3HZ TRP 26 1.114 2.871 -3.334 217 HH2 TRP 26 HH TRP 26 1.281 5.343 -3.470 218 H VAL 27 H VAL 27 -3.220 -0.980 -8.837 219 HA VAL 27 HA VAL 27 -3.446 -2.826 -6.647 220 HB VAL 27 HB VAL 27 -4.873 -4.224 -7.893 221 HG11 VAL 27 1HG1 VAL 27 -5.680 -1.988 -7.099 222 HG12 VAL 27 2HG1 VAL 27 -5.512 -1.395 -8.762 223 HG13 VAL 27 3HG1 VAL 27 -6.627 -2.721 -8.401 224 HG21 VAL 27 3HG2 VAL 27 -5.401 -3.891 -10.293 225 HG22 VAL 27 1HG2 VAL 27 -4.027 -2.770 -10.420 226 HG23 VAL 27 2HG2 VAL 27 -3.759 -4.479 -10.008 227 H CYS 28 H CYS 28 -1.460 -2.992 -9.614 228 HA CYS 28 HA CYS 28 -0.588 -5.701 -9.167 229 HB2 CYS 28 1HB CYS 28 -0.545 -4.248 -11.266 230 HB3 CYS 28 2HB CYS 28 0.946 -3.550 -10.648 231 H LEU 29 H LEU 29 0.887 -2.536 -8.270 232 HA LEU 29 HA LEU 29 3.103 -3.498 -6.787 233 HB2 LEU 29 1HB LEU 29 2.742 -1.196 -7.471 234 HB3 LEU 29 2HB LEU 29 1.344 -1.023 -6.429 235 HG LEU 29 HG LEU 29 4.145 -1.560 -5.354 236 HD11 LEU 29 1HD1 LEU 29 4.054 0.539 -6.727 237 HD12 LEU 29 2HD1 LEU 29 2.708 1.109 -5.714 238 HD13 LEU 29 3HD1 LEU 29 4.319 0.859 -5.013 239 HD21 LEU 29 3HD2 LEU 29 3.203 -0.414 -3.304 240 HD22 LEU 29 1HD2 LEU 29 1.595 -0.496 -4.048 241 HD23 LEU 29 2HD2 LEU 29 2.483 -1.978 -3.625 242 H VAL 30 H VAL 30 -0.205 -2.751 -5.576 243 HA VAL 30 HA VAL 30 0.224 -3.669 -2.932 244 HB VAL 30 HB VAL 30 -2.270 -3.425 -4.625 245 HG11 VAL 30 1HG1 VAL 30 -2.854 -5.192 -3.070 246 HG12 VAL 30 2HG1 VAL 30 -2.141 -4.290 -1.716 247 HG13 VAL 30 3HG1 VAL 30 -3.606 -3.697 -2.539 248 HG21 VAL 30 3HG2 VAL 30 -2.717 -1.506 -3.168 249 HG22 VAL 30 1HG2 VAL 30 -1.294 -1.887 -2.174 250 HG23 VAL 30 2HG2 VAL 30 -1.091 -1.348 -3.849 251 H GLU 31 H GLU 31 -0.907 -5.563 -5.787 252 HA GLU 31 HA GLU 31 -1.254 -8.020 -4.372 253 HB2 GLU 31 1HB GLU 31 -0.699 -7.354 -7.282 254 HB3 GLU 31 2HB GLU 31 -0.839 -9.028 -6.719 255 HG2 GLU 31 1HG GLU 31 -3.070 -8.729 -5.973 256 HG3 GLU 31 2HG GLU 31 -3.021 -6.979 -6.183 257 H HIS 32 H HIS 32 1.683 -6.678 -5.933 258 HA HIS 32 HA HIS 32 3.248 -9.036 -5.203 259 HB2 HIS 32 1HB HIS 32 3.810 -6.380 -6.517 260 HB3 HIS 32 2HB HIS 32 5.102 -7.535 -6.137 261 HD2 HIS 32 2HD HIS 32 4.387 -10.224 -7.090 262 HE1 HIS 32 1HE HIS 32 2.836 -8.606 -10.707 263 HE2 HIS 32 2HE HIS 32 3.655 -10.733 -9.561 264 H GLU 33 H GLU 33 2.514 -6.078 -3.528 265 HA GLU 33 HA GLU 33 4.738 -6.426 -1.602 266 HB2 GLU 33 1HB GLU 33 2.465 -4.426 -1.815 267 HB3 GLU 33 2HB GLU 33 3.549 -4.491 -0.434 268 HG2 GLU 33 1HG GLU 33 4.409 -4.002 -3.312 269 HG3 GLU 33 2HG GLU 33 4.227 -2.779 -2.060 270 H SER 34 H SER 34 1.101 -6.444 -1.329 271 HA SER 34 HA SER 34 1.417 -8.059 1.184 272 HB2 SER 34 1HB SER 34 -0.741 -6.009 0.653 273 HB3 SER 34 2HB SER 34 -0.303 -6.781 2.185 274 HG SER 34 HG SER 34 0.977 -4.732 0.758 275 H SER 35 H SER 35 0.383 -8.514 -1.880 276 HA SER 35 HA SER 35 -1.099 -9.841 -2.939 277 HB2 SER 35 1HB SER 35 -1.392 -11.319 -0.319 278 HB3 SER 35 2HB SER 35 -1.704 -11.920 -1.958 279 HG SER 35 HG SER 35 0.345 -12.630 -1.232 280 H ARG 36 H ARG 36 -2.226 -7.478 -1.588 281 HA ARG 36 HA ARG 36 -4.179 -6.419 -1.339 282 HB2 ARG 36 1HB ARG 36 -5.776 -8.827 -2.247 283 HB3 ARG 36 2HB ARG 36 -6.175 -7.115 -2.367 284 HG2 ARG 36 1HG ARG 36 -4.171 -6.920 -3.976 285 HG3 ARG 36 2HG ARG 36 -4.151 -8.676 -4.004 286 HD2 ARG 36 1HD ARG 36 -6.622 -7.038 -4.704 287 HD3 ARG 36 2HD ARG 36 -5.458 -7.603 -5.892 288 HE ARG 36 HE ARG 36 -7.086 -9.359 -4.088 289 HH11 ARG 36 1HH1 ARG 36 -5.526 -9.007 -7.295 290 HH12 ARG 36 2HH1 ARG 36 -5.981 -10.628 -7.732 291 HH21 ARG 36 1HH2 ARG 36 -7.552 -11.403 -4.744 292 HH22 ARG 36 2HH2 ARG 36 -7.146 -11.938 -6.344 293 H ASP 37 H ASP 37 -3.095 -8.080 0.851 294 HA ASP 37 HA ASP 37 -5.536 -8.631 2.506 295 HB2 ASP 37 1HB ASP 37 -4.299 -10.667 1.998 296 HB3 ASP 37 2HB ASP 37 -2.796 -9.913 2.506 297 H THR 38 H THR 38 -5.857 -7.230 4.098 298 HA THR 38 HA THR 38 -3.848 -5.248 4.811 299 HB THR 38 HB THR 38 -5.353 -4.502 6.594 300 HG1 THR 38 1HG THR 38 -7.302 -5.392 6.841 301 HG21 THR 38 3HG2 THR 38 -7.223 -3.744 5.194 302 HG22 THR 38 1HG2 THR 38 -5.672 -3.571 4.366 303 HG23 THR 38 2HG2 THR 38 -6.771 -4.912 3.939 304 H SER 39 H SER 39 -4.624 -8.427 6.134 305 HA SER 39 HA SER 39 -3.363 -7.945 8.711 306 HB2 SER 39 1HB SER 39 -4.141 -10.510 7.277 307 HB3 SER 39 2HB SER 39 -3.587 -10.397 8.947 308 HG SER 39 HG SER 39 -5.872 -10.455 8.805 309 H LYS 40 H LYS 40 -1.917 -8.173 5.681 310 HA LYS 40 HA LYS 40 0.110 -10.117 6.270 311 HB2 LYS 40 1HB LYS 40 -0.883 -9.316 3.985 312 HB3 LYS 40 2HB LYS 40 0.295 -8.023 4.086 313 HG2 LYS 40 1HG LYS 40 1.405 -9.680 2.819 314 HG3 LYS 40 2HG LYS 40 2.071 -9.912 4.422 315 HD2 LYS 40 1HD LYS 40 1.553 -12.103 3.624 316 HD3 LYS 40 2HD LYS 40 0.261 -11.723 4.768 317 HE2 LYS 40 1HE LYS 40 -0.860 -10.735 2.491 318 HE3 LYS 40 2HE LYS 40 0.210 -11.930 1.762 319 HZ1 LYS 40 3HZ LYS 40 -1.897 -12.954 2.215 320 HZ2 LYS 40 1HZ LYS 40 -0.864 -13.580 3.318 321 HZ3 LYS 40 2HZ LYS 40 -1.944 -12.409 3.752 322 H THR 41 H THR 41 2.196 -9.966 6.774 323 HA THR 41 HA THR 41 3.550 -7.396 7.277 324 HB THR 41 HB THR 41 4.414 -8.276 9.483 325 HG1 THR 41 1HG THR 41 2.970 -9.832 10.491 326 HG21 THR 41 3HG2 THR 41 2.618 -7.571 10.874 327 HG22 THR 41 1HG2 THR 41 2.719 -6.512 9.483 328 HG23 THR 41 2HG2 THR 41 1.433 -7.743 9.543 329 H ASN 42 H ASN 42 5.751 -7.493 7.494 330 HA ASN 42 HA ASN 42 7.182 -10.019 6.968 331 HB2 ASN 42 1HB ASN 42 7.117 -7.626 5.072 332 HB3 ASN 42 2HB ASN 42 8.441 -8.776 5.084 333 HD21 ASN 42 2HD2 ASN 42 5.143 -8.250 4.070 334 HD22 ASN 42 1HD2 ASN 42 5.002 -9.765 3.179 335 H THR 43 H THR 43 9.082 -10.069 8.079 336 HA THR 43 HA THR 43 10.053 -7.664 9.503 337 HB THR 43 HB THR 43 11.249 -10.458 9.524 338 HG1 THR 43 1HG THR 43 9.907 -10.892 11.208 339 HG21 THR 43 3HG2 THR 43 11.926 -9.761 11.842 340 HG22 THR 43 1HG2 THR 43 12.663 -8.748 10.599 341 HG23 THR 43 2HG2 THR 43 11.274 -8.138 11.523 342 H ASN 44 H ASN 44 12.000 -6.679 9.158 343 HA ASN 44 HA ASN 44 13.404 -7.227 6.583 344 HB2 ASN 44 1HB ASN 44 13.388 -4.764 8.377 345 HB3 ASN 44 2HB ASN 44 14.254 -4.918 6.852 346 HD21 ASN 44 2HD2 ASN 44 11.053 -4.712 8.314 347 HD22 ASN 44 1HD2 ASN 44 10.216 -4.202 6.830 348 H ARG 45 H ARG 45 15.696 -7.105 6.500 349 HA ARG 45 HA ARG 45 17.134 -8.510 8.542 350 HB2 ARG 45 1HB ARG 45 18.245 -6.815 6.263 351 HB3 ARG 45 2HB ARG 45 19.136 -8.009 7.218 352 HG2 ARG 45 1HG ARG 45 17.514 -9.779 6.410 353 HG3 ARG 45 2HG ARG 45 16.771 -8.550 5.377 354 HD2 ARG 45 1HD ARG 45 18.273 -9.810 4.012 355 HD3 ARG 45 2HD ARG 45 18.978 -8.202 4.247 356 HE ARG 45 HE ARG 45 19.931 -10.067 6.238 357 HH11 ARG 45 1HH1 ARG 45 20.430 -9.275 2.826 358 HH12 ARG 45 2HH1 ARG 45 22.048 -9.908 2.821 359 HH21 ARG 45 1HH2 ARG 45 22.027 -10.856 6.167 360 HH22 ARG 45 2HH2 ARG 45 22.936 -10.795 4.687 361 H ASN 46 H ASN 46 16.532 -5.129 8.106 362 HA ASN 46 HA ASN 46 18.544 -4.208 10.011 363 HB2 ASN 46 1HB ASN 46 17.689 -3.029 7.884 364 HB3 ASN 46 2HB ASN 46 16.243 -2.629 8.807 365 HD21 ASN 46 2HD2 ASN 46 16.977 -0.377 8.227 366 HD22 ASN 46 1HD2 ASN 46 18.209 0.376 9.226 367 H GLY 47 H GLY 47 15.752 -5.857 10.612 368 HA2 GLY 47 1HA GLY 47 14.921 -6.415 12.680 369 HA3 GLY 47 2HA GLY 47 15.712 -5.002 13.410 370 H SER 48 H SER 48 13.936 -3.769 10.883 371 HA SER 48 HA SER 48 11.586 -3.067 12.548 372 HB2 SER 48 1HB SER 48 11.096 -1.567 10.628 373 HB3 SER 48 2HB SER 48 12.646 -1.257 11.412 374 HG SER 48 HG SER 48 13.064 -1.262 9.230 375 H LYS 49 H LYS 49 9.416 -3.186 11.488 376 HA LYS 49 HA LYS 49 9.120 -5.527 9.654 377 HB2 LYS 49 1HB LYS 49 8.504 -5.824 12.238 378 HB3 LYS 49 2HB LYS 49 7.041 -4.991 11.740 379 HG2 LYS 49 1HG LYS 49 6.714 -6.797 9.986 380 HG3 LYS 49 2HG LYS 49 8.106 -7.629 10.711 381 HD2 LYS 49 1HD LYS 49 6.809 -7.445 12.960 382 HD3 LYS 49 2HD LYS 49 5.430 -6.948 11.980 383 HE2 LYS 49 1HE LYS 49 5.103 -9.249 12.306 384 HE3 LYS 49 2HE LYS 49 5.736 -9.135 10.658 385 HZ1 LYS 49 3HZ LYS 49 6.820 -10.892 11.928 386 HZ2 LYS 49 1HZ LYS 49 7.926 -9.755 11.535 387 HZ3 LYS 49 2HZ LYS 49 7.334 -9.836 13.061 388 H ASP 50 H ASP 50 7.429 -5.509 8.300 389 HA ASP 50 HA ASP 50 6.305 -2.869 7.519 390 HB2 ASP 50 1HB ASP 50 6.514 -5.519 6.039 391 HB3 ASP 50 2HB ASP 50 5.891 -4.017 5.385 392 H TYR 51 H TYR 51 4.095 -2.592 7.314 393 HA TYR 51 HA TYR 51 2.218 -4.787 8.108 394 HB2 TYR 51 1HB TYR 51 2.372 -1.942 9.178 395 HB3 TYR 51 2HB TYR 51 1.132 -3.112 9.588 396 HD1 TYR 51 2HD TYR 51 4.701 -2.196 9.995 397 HD2 TYR 51 1HD TYR 51 1.516 -4.793 11.276 398 HE1 TYR 51 2HE TYR 51 6.028 -2.840 11.978 399 HE2 TYR 51 1HE TYR 51 2.831 -5.433 13.286 400 HH TYR 51 HH TYR 51 4.787 -5.123 14.467 401 H GLY 52 H GLY 52 0.108 -4.660 7.363 402 HA2 GLY 52 1HA GLY 52 -1.794 -3.798 6.344 403 HA3 GLY 52 2HA GLY 52 -0.986 -2.227 6.202 404 H LEU 53 H LEU 53 -2.435 -2.561 4.205 405 HA LEU 53 HA LEU 53 -1.720 -4.420 2.231 406 HB2 LEU 53 1HB LEU 53 -3.801 -2.575 2.686 407 HB3 LEU 53 2HB LEU 53 -2.971 -1.821 1.345 408 HG LEU 53 HG LEU 53 -3.086 -4.323 0.324 409 HD11 LEU 53 1HD1 LEU 53 -4.102 -5.196 2.402 410 HD12 LEU 53 2HD1 LEU 53 -5.509 -4.140 2.146 411 HD13 LEU 53 3HD1 LEU 53 -5.167 -5.421 0.991 412 HD21 LEU 53 3HD2 LEU 53 -5.194 -3.753 -0.753 413 HD22 LEU 53 1HD2 LEU 53 -5.453 -2.425 0.414 414 HD23 LEU 53 2HD2 LEU 53 -4.095 -2.344 -0.727 415 H PHE 54 H PHE 54 -0.080 -1.529 2.815 416 HA PHE 54 HA PHE 54 1.333 -1.725 0.180 417 HB2 PHE 54 1HB PHE 54 1.029 0.658 2.037 418 HB3 PHE 54 2HB PHE 54 1.921 0.645 0.528 419 HD1 PHE 54 2HD PHE 54 -1.485 0.418 2.005 420 HD2 PHE 54 1HD PHE 54 0.808 0.883 -1.610 421 HE1 PHE 54 2HE PHE 54 -3.548 1.029 0.788 422 HE2 PHE 54 1HE PHE 54 -1.259 1.539 -2.818 423 HZ PHE 54 HZ PHE 54 -3.437 1.610 -1.631 424 H GLN 55 H GLN 55 1.726 -3.160 2.928 425 HA GLN 55 HA GLN 55 3.348 -3.675 4.419 426 HB2 GLN 55 1HB GLN 55 4.769 -3.696 1.740 427 HB3 GLN 55 2HB GLN 55 5.614 -4.200 3.198 428 HG2 GLN 55 1HG GLN 55 3.336 -5.531 1.798 429 HG3 GLN 55 2HG GLN 55 4.908 -6.168 2.193 430 HE21 GLN 55 2HE2 GLN 55 1.625 -5.667 3.402 431 HE22 GLN 55 1HE2 GLN 55 1.903 -6.412 4.972 432 H ILE 56 H ILE 56 2.927 -1.372 5.209 433 HA ILE 56 HA ILE 56 5.060 0.584 4.728 434 HB ILE 56 HB ILE 56 2.706 0.835 6.645 435 HG12 ILE 56 1HG1 ILE 56 2.889 1.444 3.650 436 HG13 ILE 56 2HG1 ILE 56 1.796 0.262 4.403 437 HG21 ILE 56 1HG2 ILE 56 4.577 2.448 6.834 438 HG22 ILE 56 2HG2 ILE 56 4.308 2.933 5.145 439 HG23 ILE 56 3HG2 ILE 56 3.057 3.198 6.387 440 HD11 ILE 56 3HD1 ILE 56 0.436 2.086 3.858 441 HD12 ILE 56 1HD1 ILE 56 0.720 2.273 5.602 442 HD13 ILE 56 2HD1 ILE 56 1.624 3.259 4.420 443 H ASN 57 H ASN 57 6.706 1.097 6.091 444 HA ASN 57 HA ASN 57 7.233 -0.874 8.184 445 HB2 ASN 57 1HB ASN 57 8.765 -0.411 6.299 446 HB3 ASN 57 2HB ASN 57 9.018 1.219 6.943 447 HD21 ASN 57 2HD2 ASN 57 9.753 -2.183 7.303 448 HD22 ASN 57 1HD2 ASN 57 10.995 -1.960 8.543 449 H ASP 58 H ASP 58 7.517 -0.559 10.253 450 HA ASP 58 HA ASP 58 6.409 1.624 11.611 451 HB2 ASP 58 1HB ASP 58 6.928 0.535 13.588 452 HB3 ASP 58 2HB ASP 58 6.609 -0.733 12.418 453 H ARG 59 H ARG 59 9.621 1.519 10.418 454 HA ARG 59 HA ARG 59 10.763 3.241 12.505 455 HB2 ARG 59 1HB ARG 59 11.904 1.317 11.399 456 HB3 ARG 59 2HB ARG 59 11.976 2.243 9.902 457 HG2 ARG 59 1HG ARG 59 13.489 3.828 10.795 458 HG3 ARG 59 2HG ARG 59 13.147 3.375 12.466 459 HD2 ARG 59 1HD ARG 59 14.462 1.522 10.438 460 HD3 ARG 59 2HD ARG 59 15.365 2.561 11.559 461 HE ARG 59 HE ARG 59 13.630 1.151 13.193 462 HH11 ARG 59 1HH1 ARG 59 16.230 0.211 10.984 463 HH12 ARG 59 2HH1 ARG 59 16.520 -1.284 11.838 464 HH21 ARG 59 1HH2 ARG 59 14.110 -0.791 14.254 465 HH22 ARG 59 2HH2 ARG 59 15.381 -1.811 13.639 466 H TYR 60 H TYR 60 9.019 3.780 9.627 467 HA TYR 60 HA TYR 60 10.183 6.533 9.272 468 HB2 TYR 60 1HB TYR 60 9.304 4.551 7.149 469 HB3 TYR 60 2HB TYR 60 9.946 6.151 6.847 470 HD1 TYR 60 2HD TYR 60 12.352 6.522 8.252 471 HD2 TYR 60 1HD TYR 60 10.763 2.764 6.861 472 HE1 TYR 60 2HE TYR 60 14.621 5.525 8.361 473 HE2 TYR 60 1HE TYR 60 13.030 1.757 6.979 474 HH TYR 60 HH TYR 60 15.898 3.631 8.059 475 H TRP 61 H TRP 61 7.315 4.686 8.139 476 HA TRP 61 HA TRP 61 5.873 7.259 7.878 477 HB2 TRP 61 1HB TRP 61 5.147 4.525 6.874 478 HB3 TRP 61 2HB TRP 61 4.529 6.035 6.278 479 HD1 TRP 61 HD TRP 61 6.911 3.428 5.504 480 HE1 TRP 61 1HE TRP 61 8.623 4.117 3.725 481 HE3 TRP 61 3HE TRP 61 6.067 8.486 5.473 482 HZ2 TRP 61 2HZ TRP 61 9.422 6.523 2.354 483 HZ3 TRP 61 3HZ TRP 61 7.288 9.943 3.887 484 HH2 TRP 61 HH TRP 61 8.962 8.980 2.321 485 H CYS 62 H CYS 62 5.136 3.952 9.121 486 HA CYS 62 HA CYS 62 3.033 5.086 10.899 487 HB2 CYS 62 1HB CYS 62 2.400 2.647 11.169 488 HB3 CYS 62 2HB CYS 62 2.129 3.347 9.597 489 H SER 63 H SER 63 2.848 3.966 13.051 490 HA SER 63 HA SER 63 5.517 3.713 14.411 491 HB2 SER 63 1HB SER 63 4.148 5.729 14.980 492 HB3 SER 63 2HB SER 63 2.834 4.665 15.488 493 HG SER 63 HG SER 63 3.954 5.132 17.316 494 H LYS 64 H LYS 64 5.929 1.877 15.544 495 HA LYS 64 HA LYS 64 3.911 -0.266 15.714 496 HB2 LYS 64 1HB LYS 64 5.779 -1.591 16.650 497 HB3 LYS 64 2HB LYS 64 6.127 -0.933 15.067 498 HG2 LYS 64 1HG LYS 64 7.624 0.714 15.942 499 HG3 LYS 64 2HG LYS 64 7.006 0.543 17.591 500 HD2 LYS 64 1HD LYS 64 7.961 -1.630 17.851 501 HD3 LYS 64 2HD LYS 64 8.459 -1.690 16.135 502 HE2 LYS 64 1HE LYS 64 9.909 0.283 16.493 503 HE3 LYS 64 2HE LYS 64 9.422 0.349 18.193 504 HZ1 LYS 64 3HZ LYS 64 11.546 -0.795 17.927 505 HZ2 LYS 64 1HZ LYS 64 10.435 -1.849 18.494 506 HZ3 LYS 64 2HZ LYS 64 10.886 -1.901 16.921 507 H GLY 65 H GLY 65 4.696 2.303 17.758 508 HA2 GLY 65 1HA GLY 65 4.742 0.897 20.316 509 HA3 GLY 65 2HA GLY 65 4.764 2.641 20.050 510 H ALA 66 H ALA 66 3.340 2.677 21.943 511 HA ALA 66 HA ALA 66 0.680 1.519 21.833 512 HB1 ALA 66 1HB ALA 66 1.947 1.871 23.935 513 HB2 ALA 66 2HB ALA 66 1.879 3.633 23.680 514 HB3 ALA 66 3HB ALA 66 0.388 2.713 23.965 515 H SER 67 H SER 67 1.898 4.205 20.218 516 HA SER 67 HA SER 67 -0.765 5.445 19.807 517 HB2 SER 67 1HB SER 67 1.678 6.906 20.894 518 HB3 SER 67 2HB SER 67 0.237 7.707 20.256 519 HG SER 67 HG SER 67 0.192 7.503 22.556 520 HA PRO 68 HA PRO 68 1.075 6.256 15.725 521 HB2 PRO 68 1HB PRO 68 -0.488 8.314 14.852 522 HB3 PRO 68 2HB PRO 68 -1.096 6.633 14.981 523 HG2 PRO 68 1HG PRO 68 -1.441 8.893 16.972 524 HG3 PRO 68 2HG PRO 68 -2.697 7.796 16.313 525 HD2 PRO 68 1HD PRO 68 -1.502 7.345 18.716 526 HD3 PRO 68 2HD PRO 68 -1.950 5.993 17.634 527 H GLY 69 H GLY 69 2.605 7.761 14.880 528 HA2 GLY 69 1HA GLY 69 3.188 10.352 15.880 529 HA3 GLY 69 2HA GLY 69 3.968 9.221 16.967 530 H LYS 70 H LYS 70 3.694 8.698 13.478 531 HA LYS 70 HA LYS 70 6.589 9.347 13.069 532 HB2 LYS 70 1HB LYS 70 5.026 6.899 12.221 533 HB3 LYS 70 2HB LYS 70 6.481 7.371 11.365 534 HG2 LYS 70 1HG LYS 70 6.781 7.276 14.343 535 HG3 LYS 70 2HG LYS 70 6.409 5.757 13.578 536 HD2 LYS 70 1HD LYS 70 8.789 5.996 13.827 537 HD3 LYS 70 2HD LYS 70 8.359 5.928 12.115 538 HE2 LYS 70 1HE LYS 70 8.687 8.318 11.856 539 HE3 LYS 70 2HE LYS 70 8.823 8.548 13.608 540 HZ1 LYS 70 3HZ LYS 70 10.995 8.534 12.482 541 HZ2 LYS 70 1HZ LYS 70 10.891 7.335 13.583 542 HZ3 LYS 70 2HZ LYS 70 10.770 6.985 11.992 543 H ASP 71 H ASP 71 6.665 9.066 10.281 544 HA ASP 71 HA ASP 71 6.004 11.726 9.704 545 HB2 ASP 71 1HB ASP 71 7.756 10.329 8.599 546 HB3 ASP 71 2HB ASP 71 6.488 9.536 7.660 547 H CYS 72 H CYS 72 3.964 8.899 9.109 548 HA CYS 72 HA CYS 72 1.931 10.617 7.733 549 HB2 CYS 72 1HB CYS 72 2.228 7.614 7.862 550 HB3 CYS 72 2HB CYS 72 0.964 8.493 7.003 551 H ASN 73 H ASN 73 2.553 10.050 10.833 552 HA ASN 73 HA ASN 73 1.384 10.023 12.754 553 HB2 ASN 73 1HB ASN 73 0.903 12.224 11.679 554 HB3 ASN 73 2HB ASN 73 -0.618 11.572 11.069 555 HD21 ASN 73 2HD2 ASN 73 -1.834 13.166 12.289 556 HD22 ASN 73 1HD2 ASN 73 -1.984 13.030 14.033 557 H VAL 74 H VAL 74 1.144 7.594 11.848 558 HA VAL 74 HA VAL 74 -1.562 6.660 12.560 559 HB VAL 74 HB VAL 74 -1.586 7.072 10.117 560 HG11 VAL 74 1HG1 VAL 74 0.812 6.606 9.592 561 HG12 VAL 74 2HG1 VAL 74 0.515 4.878 9.887 562 HG13 VAL 74 3HG1 VAL 74 -0.309 5.706 8.557 563 HG21 VAL 74 3HG2 VAL 74 -2.542 4.961 9.453 564 HG22 VAL 74 1HG2 VAL 74 -1.724 4.111 10.778 565 HG23 VAL 74 2HG2 VAL 74 -2.992 5.308 11.132 566 H LYS 75 H LYS 75 -1.624 4.609 13.380 567 HA LYS 75 HA LYS 75 0.952 3.489 14.296 568 HB2 LYS 75 1HB LYS 75 -1.130 4.179 15.685 569 HB3 LYS 75 2HB LYS 75 -1.819 2.641 15.152 570 HG2 LYS 75 1HG LYS 75 0.086 1.446 16.225 571 HG3 LYS 75 2HG LYS 75 0.825 3.000 16.620 572 HD2 LYS 75 1HD LYS 75 -0.161 2.288 18.603 573 HD3 LYS 75 2HD LYS 75 -1.217 3.555 18.029 574 HE2 LYS 75 1HE LYS 75 -1.840 0.654 17.369 575 HE3 LYS 75 2HE LYS 75 -2.075 1.224 19.018 576 HZ1 LYS 75 3HZ LYS 75 -4.110 1.468 17.818 577 HZ2 LYS 75 1HZ LYS 75 -3.555 2.964 18.148 578 HZ3 LYS 75 2HZ LYS 75 -3.444 2.349 16.627 579 H CYS 76 H CYS 76 1.753 1.538 13.636 580 HA CYS 76 HA CYS 76 1.137 0.190 11.293 581 HB2 CYS 76 1HB CYS 76 2.294 -0.968 13.863 582 HB3 CYS 76 2HB CYS 76 2.448 -1.666 12.257 583 H SER 77 H SER 77 -0.262 -0.539 14.515 584 HA SER 77 HA SER 77 -1.638 -2.934 13.705 585 HB2 SER 77 1HB SER 77 -1.024 -2.226 16.049 586 HB3 SER 77 2HB SER 77 -2.379 -1.081 15.989 587 HG SER 77 HG SER 77 -2.942 -3.127 16.944 588 H ASP 78 H ASP 78 -2.642 0.517 13.476 589 HA ASP 78 HA ASP 78 -5.406 -0.124 12.790 590 HB2 ASP 78 1HB ASP 78 -3.739 2.415 12.602 591 HB3 ASP 78 2HB ASP 78 -5.411 2.306 12.075 592 H LEU 79 H LEU 79 -2.434 -0.411 11.107 593 HA LEU 79 HA LEU 79 -3.653 -0.117 8.433 594 HB2 LEU 79 1HB LEU 79 -0.984 -1.404 9.063 595 HB3 LEU 79 2HB LEU 79 -1.555 -0.703 7.556 596 HG LEU 79 HG LEU 79 -0.757 0.827 10.060 597 HD11 LEU 79 1HD1 LEU 79 1.119 -0.047 8.772 598 HD12 LEU 79 2HD1 LEU 79 0.420 0.569 7.263 599 HD13 LEU 79 3HD1 LEU 79 0.998 1.700 8.499 600 HD21 LEU 79 3HD2 LEU 79 -1.085 2.872 8.661 601 HD22 LEU 79 1HD2 LEU 79 -1.851 1.858 7.424 602 HD23 LEU 79 2HD2 LEU 79 -2.608 2.045 9.019 603 H LEU 80 H LEU 80 -3.565 -2.524 10.865 604 HA LEU 80 HA LEU 80 -3.917 -4.786 8.995 605 HB2 LEU 80 1HB LEU 80 -3.802 -4.814 12.021 606 HB3 LEU 80 2HB LEU 80 -3.698 -6.199 10.942 607 HG LEU 80 HG LEU 80 -1.631 -3.992 11.215 608 HD11 LEU 80 1HD1 LEU 80 -1.768 -5.531 13.148 609 HD12 LEU 80 2HD1 LEU 80 -1.586 -6.923 12.056 610 HD13 LEU 80 3HD1 LEU 80 -0.258 -5.764 12.257 611 HD21 LEU 80 3HD2 LEU 80 -0.172 -5.445 9.803 612 HD22 LEU 80 1HD2 LEU 80 -1.568 -6.489 9.475 613 HD23 LEU 80 2HD2 LEU 80 -1.556 -4.794 8.926 614 H THR 81 H THR 81 -5.967 -2.518 9.891 615 HA THR 81 HA THR 81 -8.203 -4.073 10.967 616 HB THR 81 HB THR 81 -7.617 -1.756 11.652 617 HG1 THR 81 1HG THR 81 -9.786 -1.230 11.850 618 HG21 THR 81 3HG2 THR 81 -8.129 0.133 10.379 619 HG22 THR 81 1HG2 THR 81 -7.315 -0.910 9.212 620 HG23 THR 81 2HG2 THR 81 -9.084 -0.782 9.182 621 H ASP 82 H ASP 82 -10.393 -3.266 9.812 622 HA ASP 82 HA ASP 82 -10.351 -4.930 7.357 623 HB2 ASP 82 1HB ASP 82 -12.688 -4.026 9.079 624 HB3 ASP 82 2HB ASP 82 -12.742 -5.239 7.799 625 H ASP 83 H ASP 83 -9.891 -1.857 7.597 626 HA ASP 83 HA ASP 83 -11.041 -1.332 4.931 627 HB2 ASP 83 1HB ASP 83 -12.496 -0.141 6.606 628 HB3 ASP 83 2HB ASP 83 -11.088 0.798 7.101 629 H ILE 84 H ILE 84 -9.498 -0.725 3.616 630 HA ILE 84 HA ILE 84 -6.749 -0.756 4.463 631 HB ILE 84 HB ILE 84 -6.215 -0.683 2.151 632 HG12 ILE 84 1HG1 ILE 84 -9.048 0.305 1.580 633 HG13 ILE 84 2HG1 ILE 84 -7.587 1.292 1.566 634 HG21 ILE 84 1HG2 ILE 84 -7.494 -2.735 2.994 635 HG22 ILE 84 2HG2 ILE 84 -8.932 -2.076 2.218 636 HG23 ILE 84 3HG2 ILE 84 -7.528 -2.514 1.242 637 HD11 ILE 84 3HD1 ILE 84 -8.210 0.776 -0.674 638 HD12 ILE 84 1HD1 ILE 84 -6.650 0.005 -0.273 639 HD13 ILE 84 2HD1 ILE 84 -8.148 -0.967 -0.357 640 H THR 85 H THR 85 -8.954 1.823 4.384 641 HA THR 85 HA THR 85 -7.646 3.970 3.256 642 HB THR 85 HB THR 85 -9.944 3.934 3.942 643 HG1 THR 85 1HG THR 85 -10.012 6.072 4.509 644 HG21 THR 85 3HG2 THR 85 -10.680 4.411 6.182 645 HG22 THR 85 1HG2 THR 85 -9.645 2.979 6.260 646 HG23 THR 85 2HG2 THR 85 -9.009 4.558 6.770 647 H LYS 86 H LYS 86 -7.062 2.812 6.565 648 HA LYS 86 HA LYS 86 -5.403 5.008 7.379 649 HB2 LYS 86 1HB LYS 86 -5.306 2.095 8.265 650 HB3 LYS 86 2HB LYS 86 -4.655 3.470 9.152 651 HG2 LYS 86 1HG LYS 86 -7.606 2.914 8.608 652 HG3 LYS 86 2HG LYS 86 -6.752 2.693 10.129 653 HD2 LYS 86 1HD LYS 86 -6.285 5.152 10.214 654 HD3 LYS 86 2HD LYS 86 -7.256 5.358 8.734 655 HE2 LYS 86 1HE LYS 86 -9.220 4.359 9.878 656 HE3 LYS 86 2HE LYS 86 -8.261 4.138 11.347 657 HZ1 LYS 86 3HZ LYS 86 -9.596 6.155 11.458 658 HZ2 LYS 86 1HZ LYS 86 -8.014 6.557 11.472 659 HZ3 LYS 86 2HZ LYS 86 -8.901 6.763 10.111 660 H ALA 87 H ALA 87 -4.695 2.166 5.440 661 HA ALA 87 HA ALA 87 -1.776 2.722 5.375 662 HB1 ALA 87 1HB ALA 87 -2.748 0.366 5.551 663 HB2 ALA 87 2HB ALA 87 -3.386 0.578 3.903 664 HB3 ALA 87 3HB ALA 87 -1.632 0.624 4.206 665 H ALA 88 H ALA 88 -4.637 2.790 3.237 666 HA ALA 88 HA ALA 88 -3.306 3.522 0.859 667 HB1 ALA 88 1HB ALA 88 -5.633 2.599 1.110 668 HB2 ALA 88 2HB ALA 88 -6.163 4.196 1.698 669 HB3 ALA 88 3HB ALA 88 -5.531 4.007 0.055 670 H LYS 89 H LYS 89 -4.786 5.720 3.321 671 HA LYS 89 HA LYS 89 -4.073 8.133 1.887 672 HB2 LYS 89 1HB LYS 89 -4.788 7.542 4.776 673 HB3 LYS 89 2HB LYS 89 -4.504 9.177 4.153 674 HG2 LYS 89 1HG LYS 89 -6.315 8.932 2.516 675 HG3 LYS 89 2HG LYS 89 -6.618 7.268 3.043 676 HD2 LYS 89 1HD LYS 89 -7.252 8.044 5.278 677 HD3 LYS 89 2HD LYS 89 -6.878 9.727 4.830 678 HE2 LYS 89 1HE LYS 89 -8.606 9.654 3.059 679 HE3 LYS 89 2HE LYS 89 -8.952 7.965 3.449 680 HZ1 LYS 89 3HZ LYS 89 -10.543 9.458 4.504 681 HZ2 LYS 89 1HZ LYS 89 -9.674 8.690 5.657 682 HZ3 LYS 89 2HZ LYS 89 -9.356 10.255 5.296 683 H CYS 90 H CYS 90 -2.333 6.172 4.257 684 HA CYS 90 HA CYS 90 -0.054 7.971 4.568 685 HB2 CYS 90 1HB CYS 90 -0.547 6.362 6.253 686 HB3 CYS 90 2HB CYS 90 -0.552 5.023 5.101 687 H ALA 91 H ALA 91 -0.792 5.233 2.364 688 HA ALA 91 HA ALA 91 1.628 5.271 0.905 689 HB1 ALA 91 1HB ALA 91 -0.077 3.476 0.863 690 HB2 ALA 91 2HB ALA 91 -1.172 4.538 -0.034 691 HB3 ALA 91 3HB ALA 91 0.355 4.027 -0.771 692 H LYS 92 H LYS 92 -1.318 7.366 0.387 693 HA LYS 92 HA LYS 92 -0.288 8.648 -1.940 694 HB2 LYS 92 1HB LYS 92 -1.899 10.035 0.231 695 HB3 LYS 92 2HB LYS 92 -1.770 10.479 -1.461 696 HG2 LYS 92 1HG LYS 92 -3.263 8.155 -0.245 697 HG3 LYS 92 2HG LYS 92 -3.915 9.536 -1.055 698 HD2 LYS 92 1HD LYS 92 -2.436 7.187 -2.283 699 HD3 LYS 92 2HD LYS 92 -4.124 7.610 -2.482 700 HE2 LYS 92 1HE LYS 92 -1.760 9.234 -3.541 701 HE3 LYS 92 2HE LYS 92 -2.749 8.128 -4.490 702 HZ1 LYS 92 3HZ LYS 92 -3.453 10.438 -4.756 703 HZ2 LYS 92 1HZ LYS 92 -4.664 9.559 -4.111 704 HZ3 LYS 92 2HZ LYS 92 -3.790 10.573 -3.164 705 H LYS 93 H LYS 93 0.343 9.404 1.509 706 HA LYS 93 HA LYS 93 2.010 11.693 0.908 707 HB2 LYS 93 1HB LYS 93 0.806 11.312 3.062 708 HB3 LYS 93 2HB LYS 93 1.967 10.035 3.460 709 HG2 LYS 93 1HG LYS 93 3.816 11.643 3.428 710 HG3 LYS 93 2HG LYS 93 2.753 12.907 2.784 711 HD2 LYS 93 1HD LYS 93 1.453 12.861 4.914 712 HD3 LYS 93 2HD LYS 93 2.590 11.647 5.552 713 HE2 LYS 93 1HE LYS 93 4.477 13.221 5.179 714 HE3 LYS 93 2HE LYS 93 3.353 14.430 4.541 715 HZ1 LYS 93 3HZ LYS 93 3.857 14.863 6.853 716 HZ2 LYS 93 1HZ LYS 93 2.276 14.453 6.742 717 HZ3 LYS 93 2HZ LYS 93 3.378 13.368 7.308 718 H ILE 94 H ILE 94 2.701 8.271 0.882 719 HA ILE 94 HA ILE 94 5.623 8.667 0.639 720 HB ILE 94 HB ILE 94 3.878 6.251 0.015 721 HG12 ILE 94 1HG1 ILE 94 5.742 6.763 2.370 722 HG13 ILE 94 2HG1 ILE 94 4.004 6.973 2.459 723 HG21 ILE 94 1HG2 ILE 94 5.948 6.239 -1.321 724 HG22 ILE 94 2HG2 ILE 94 6.911 6.583 0.129 725 HG23 ILE 94 3HG2 ILE 94 6.058 5.031 -0.049 726 HD11 ILE 94 3HD1 ILE 94 4.510 4.852 3.414 727 HD12 ILE 94 1HD1 ILE 94 3.690 4.556 1.873 728 HD13 ILE 94 2HD1 ILE 94 5.455 4.346 2.007 729 H TYR 95 H TYR 95 2.936 7.963 -1.660 730 HA TYR 95 HA TYR 95 4.423 8.102 -4.022 731 HB2 TYR 95 1HB TYR 95 2.424 7.221 -4.415 732 HB3 TYR 95 2HB TYR 95 1.579 8.223 -3.249 733 HD1 TYR 95 2HD TYR 95 0.971 10.633 -3.872 734 HD2 TYR 95 1HD TYR 95 2.160 7.645 -6.742 735 HE1 TYR 95 2HE TYR 95 -0.088 11.958 -5.685 736 HE2 TYR 95 1HE TYR 95 1.128 8.980 -8.562 737 HH TYR 95 HH TYR 95 -0.539 12.098 -7.941 738 H LYS 96 H LYS 96 3.254 10.853 -2.103 739 HA LYS 96 HA LYS 96 3.638 12.988 -3.845 740 HB2 LYS 96 1HB LYS 96 2.468 12.873 -1.671 741 HB3 LYS 96 2HB LYS 96 3.970 12.441 -0.867 742 HG2 LYS 96 1HG LYS 96 3.373 14.675 -0.374 743 HG3 LYS 96 2HG LYS 96 4.903 14.603 -1.243 744 HD2 LYS 96 1HD LYS 96 3.624 16.504 -2.055 745 HD3 LYS 96 2HD LYS 96 3.718 15.296 -3.344 746 HE2 LYS 96 1HE LYS 96 1.429 14.506 -2.780 747 HE3 LYS 96 2HE LYS 96 1.351 15.661 -1.443 748 HZ1 LYS 96 3HZ LYS 96 0.235 16.513 -3.416 749 HZ2 LYS 96 1HZ LYS 96 1.518 17.459 -3.070 750 HZ3 LYS 96 2HZ LYS 96 1.597 16.396 -4.311 751 H ARG 97 H ARG 97 6.055 10.961 -2.293 752 HA ARG 97 HA ARG 97 8.278 12.765 -3.206 753 HB2 ARG 97 1HB ARG 97 8.302 10.682 -0.985 754 HB3 ARG 97 2HB ARG 97 9.635 11.733 -1.448 755 HG2 ARG 97 1HG ARG 97 6.989 12.589 -0.191 756 HG3 ARG 97 2HG ARG 97 8.566 12.533 0.595 757 HD2 ARG 97 1HD ARG 97 9.409 14.313 -0.885 758 HD3 ARG 97 2HD ARG 97 7.866 14.341 -1.751 759 HE ARG 97 HE ARG 97 7.858 14.836 1.174 760 HH11 ARG 97 1HH1 ARG 97 7.470 16.256 -2.051 761 HH12 ARG 97 2HH1 ARG 97 6.757 17.709 -1.417 762 HH21 ARG 97 1HH2 ARG 97 6.920 16.725 1.910 763 HH22 ARG 97 2HH2 ARG 97 6.442 17.963 0.790 764 H HIS 98 H HIS 98 7.091 9.452 -3.082 765 HA HIS 98 HA HIS 98 8.861 8.607 -5.333 766 HB2 HIS 98 1HB HIS 98 8.503 7.230 -2.639 767 HB3 HIS 98 2HB HIS 98 9.277 6.501 -4.041 768 HD2 HIS 98 2HD HIS 98 10.007 8.636 -1.061 769 HE1 HIS 98 1HE HIS 98 13.496 8.904 -3.487 770 HE2 HIS 98 2HE HIS 98 12.518 9.414 -1.189 771 H ARG 99 H ARG 99 6.902 8.870 -6.540 772 HA ARG 99 HA ARG 99 4.412 8.145 -6.185 773 HB2 ARG 99 1HB ARG 99 3.982 7.819 -8.499 774 HB3 ARG 99 2HB ARG 99 4.939 9.245 -8.147 775 HG2 ARG 99 1HG ARG 99 6.251 6.655 -9.059 776 HG3 ARG 99 2HG ARG 99 5.522 7.767 -10.207 777 HD2 ARG 99 1HD ARG 99 6.982 9.524 -9.667 778 HD3 ARG 99 2HD ARG 99 7.535 8.803 -8.198 779 HE ARG 99 HE ARG 99 8.922 7.322 -9.166 780 HH11 ARG 99 1HH1 ARG 99 7.359 9.052 -11.843 781 HH12 ARG 99 2HH1 ARG 99 8.484 8.404 -13.001 782 HH21 ARG 99 1HH2 ARG 99 10.250 6.559 -10.597 783 HH22 ARG 99 2HH2 ARG 99 10.155 6.981 -12.299 784 H PHE 100 H PHE 100 6.752 5.752 -7.328 785 HA PHE 100 HA PHE 100 5.182 3.528 -6.112 786 HB2 PHE 100 1HB PHE 100 6.400 3.446 -8.884 787 HB3 PHE 100 2HB PHE 100 5.516 2.163 -8.061 788 HD1 PHE 100 1HD PHE 100 3.057 2.772 -7.291 789 HD2 PHE 100 2HD PHE 100 5.212 4.737 -10.466 790 HE1 PHE 100 1HE PHE 100 0.925 3.509 -8.275 791 HE2 PHE 100 2HE PHE 100 3.062 5.491 -11.449 792 HZ PHE 100 HZ PHE 100 0.913 4.877 -10.357 793 H ASP 101 H ASP 101 8.131 5.135 -6.420 794 HA ASP 101 HA ASP 101 9.974 3.010 -6.780 795 HB2 ASP 101 1HB ASP 101 10.744 5.694 -5.653 796 HB3 ASP 101 2HB ASP 101 11.583 4.698 -6.828 797 H ALA 102 H ALA 102 8.381 4.037 -3.947 798 HA ALA 102 HA ALA 102 10.462 3.331 -2.013 799 HB1 ALA 102 1HB ALA 102 8.805 5.100 -1.566 800 HB2 ALA 102 2HB ALA 102 7.485 3.914 -1.706 801 HB3 ALA 102 3HB ALA 102 8.661 3.791 -0.383 802 H TRP 103 H TRP 103 8.483 1.441 -3.967 803 HA TRP 103 HA TRP 103 8.380 -0.842 -2.028 804 HB2 TRP 103 1HB TRP 103 6.498 -0.042 -4.284 805 HB3 TRP 103 2HB TRP 103 6.366 -1.519 -3.345 806 HD1 TRP 103 HD TRP 103 5.695 -1.290 -0.756 807 HE1 TRP 103 1HE TRP 103 4.196 0.368 0.441 808 HE3 TRP 103 3HE TRP 103 5.931 2.555 -4.115 809 HZ2 TRP 103 2HZ TRP 103 3.064 3.005 -0.074 810 HZ3 TRP 103 3HZ TRP 103 4.621 4.627 -3.753 811 HH2 TRP 103 HH TRP 103 3.140 4.843 -1.767 812 H TYR 104 H TYR 104 9.016 -2.802 -2.588 813 HA TYR 104 HA TYR 104 10.978 -2.838 -4.741 814 HB2 TYR 104 1HB TYR 104 11.395 -3.640 -2.402 815 HB3 TYR 104 2HB TYR 104 10.316 -5.001 -2.717 816 HD1 TYR 104 2HD TYR 104 13.372 -3.249 -3.911 817 HD2 TYR 104 1HD TYR 104 11.142 -6.928 -3.915 818 HE1 TYR 104 2HE TYR 104 15.251 -4.378 -5.123 819 HE2 TYR 104 1HE TYR 104 13.008 -8.072 -5.116 820 HH TYR 104 HH TYR 104 16.006 -6.339 -6.069 821 H GLY 105 H GLY 105 7.911 -4.565 -4.074 822 HA2 GLY 105 1HA GLY 105 8.130 -6.494 -6.189 823 HA3 GLY 105 2HA GLY 105 6.628 -5.945 -5.398 824 H TRP 106 H TRP 106 7.087 -3.112 -6.182 825 HA TRP 106 HA TRP 106 5.923 -3.117 -8.798 826 HB2 TRP 106 1HB TRP 106 5.383 -1.388 -7.281 827 HB3 TRP 106 2HB TRP 106 7.070 -0.912 -7.091 828 HD1 TRP 106 HD TRP 106 4.161 -0.689 -9.580 829 HE1 TRP 106 1HE TRP 106 4.704 1.069 -11.370 830 HE3 TRP 106 3HE TRP 106 8.979 0.341 -8.242 831 HZ2 TRP 106 2HZ TRP 106 6.987 2.667 -12.171 832 HZ3 TRP 106 3HZ TRP 106 10.356 1.901 -9.561 833 HH2 TRP 106 HH TRP 106 9.369 3.100 -11.526 834 H LYS 107 H LYS 107 9.273 -2.374 -7.715 835 HA LYS 107 HA LYS 107 10.164 -2.011 -10.491 836 HB2 LYS 107 1HB LYS 107 12.366 -1.576 -9.523 837 HB3 LYS 107 2HB LYS 107 11.092 -0.559 -8.861 838 HG2 LYS 107 1HG LYS 107 10.979 -2.009 -6.853 839 HG3 LYS 107 2HG LYS 107 12.284 -3.014 -7.510 840 HD2 LYS 107 1HD LYS 107 13.289 -1.576 -5.924 841 HD3 LYS 107 2HD LYS 107 13.731 -0.900 -7.501 842 HE2 LYS 107 1HE LYS 107 11.908 0.780 -7.292 843 HE3 LYS 107 2HE LYS 107 11.383 0.040 -5.776 844 HZ1 LYS 107 3HZ LYS 107 12.720 1.936 -5.289 845 HZ2 LYS 107 1HZ LYS 107 13.583 0.627 -4.846 846 HZ3 LYS 107 2HZ LYS 107 13.970 1.421 -6.226 847 H ASN 108 H ASN 108 9.902 -4.752 -8.403 848 HA ASN 108 HA ASN 108 11.834 -6.336 -9.964 849 HB2 ASN 108 1HB ASN 108 11.626 -6.401 -7.459 850 HB3 ASN 108 2HB ASN 108 10.064 -7.201 -7.655 851 HD21 ASN 108 2HD2 ASN 108 13.591 -7.520 -8.040 852 HD22 ASN 108 1HD2 ASN 108 13.573 -9.257 -8.278 853 H HIS 109 H HIS 109 8.278 -6.069 -9.732 854 HA HIS 109 HA HIS 109 8.014 -8.190 -11.851 855 HB2 HIS 109 1HB HIS 109 6.089 -7.496 -9.608 856 HB3 HIS 109 2HB HIS 109 5.863 -8.729 -10.841 857 HD2 HIS 109 2HD HIS 109 7.246 -8.253 -7.422 858 HE1 HIS 109 1HE HIS 109 8.677 -12.061 -8.668 859 HE2 HIS 109 2HE HIS 109 8.412 -10.494 -6.679 860 H CYS 110 H CYS 110 6.408 -5.180 -10.643 861 HA CYS 110 HA CYS 110 4.490 -5.128 -12.751 862 HB2 CYS 110 1HB CYS 110 5.408 -2.778 -11.068 863 HB3 CYS 110 2HB CYS 110 3.897 -2.930 -11.938 864 H GLN 111 H GLN 111 7.765 -4.382 -13.077 865 HA GLN 111 HA GLN 111 7.559 -2.354 -15.171 866 HB2 GLN 111 1HB GLN 111 9.842 -4.294 -14.603 867 HB3 GLN 111 2HB GLN 111 9.925 -2.799 -15.528 868 HG2 GLN 111 1HG GLN 111 9.492 -3.075 -12.530 869 HG3 GLN 111 2HG GLN 111 10.931 -2.484 -13.340 870 HE21 GLN 111 2HE2 GLN 111 8.125 -1.463 -11.744 871 HE22 GLN 111 1HE2 GLN 111 8.153 0.192 -12.338 872 H GLY 112 H GLY 112 7.233 -5.863 -15.109 873 HA2 GLY 112 1HA GLY 112 7.863 -6.224 -17.956 874 HA3 GLY 112 2HA GLY 112 7.319 -7.457 -16.795 875 H SER 113 H SER 113 4.909 -6.230 -15.944 876 HA SER 113 HA SER 113 3.149 -5.571 -18.130 877 HB2 SER 113 1HB SER 113 3.596 -8.024 -18.591 878 HB3 SER 113 2HB SER 113 2.869 -8.390 -17.019 879 HG SER 113 HG SER 113 1.369 -8.522 -18.797 880 H LEU 114 H LEU 114 0.996 -5.136 -17.417 881 HA LEU 114 HA LEU 114 0.503 -5.171 -14.478 882 HB2 LEU 114 1HB LEU 114 -0.256 -3.122 -16.605 883 HB3 LEU 114 2HB LEU 114 -0.816 -3.086 -14.941 884 HG LEU 114 HG LEU 114 2.119 -2.873 -15.748 885 HD11 LEU 114 1HD1 LEU 114 0.770 -0.996 -16.581 886 HD12 LEU 114 2HD1 LEU 114 0.144 -0.704 -14.939 887 HD13 LEU 114 3HD1 LEU 114 1.875 -0.488 -15.293 888 HD21 LEU 114 3HD2 LEU 114 2.360 -1.988 -13.404 889 HD22 LEU 114 1HD2 LEU 114 0.683 -2.478 -13.083 890 HD23 LEU 114 2HD2 LEU 114 1.917 -3.699 -13.463 891 HA PRO 115 HA PRO 115 -3.192 -7.429 -15.538 892 HB2 PRO 115 1HB PRO 115 -4.777 -7.013 -13.373 893 HB3 PRO 115 2HB PRO 115 -3.238 -7.926 -13.262 894 HG2 PRO 115 1HG PRO 115 -3.711 -4.989 -12.632 895 HG3 PRO 115 2HG PRO 115 -2.907 -6.224 -11.604 896 HD2 PRO 115 1HD PRO 115 -1.486 -4.541 -13.208 897 HD3 PRO 115 2HD PRO 115 -0.991 -6.250 -12.973 898 H ASP 116 H ASP 116 -5.546 -7.201 -15.895 899 HA ASP 116 HA ASP 116 -6.287 -4.644 -17.099 900 HB2 ASP 116 1HB ASP 116 -6.932 -6.688 -18.221 901 HB3 ASP 116 2HB ASP 116 -7.752 -7.286 -16.773 902 H ILE 117 H ILE 117 -7.797 -3.262 -16.481 903 HA ILE 117 HA ILE 117 -9.386 -3.671 -13.977 904 HB ILE 117 HB ILE 117 -9.186 -1.296 -13.462 905 HG12 ILE 117 1HG1 ILE 117 -7.107 -1.139 -15.701 906 HG13 ILE 117 2HG1 ILE 117 -8.755 -0.536 -15.833 907 HG21 ILE 117 1HG2 ILE 117 -7.638 -2.960 -12.432 908 HG22 ILE 117 2HG2 ILE 117 -6.429 -2.586 -13.666 909 HG23 ILE 117 3HG2 ILE 117 -6.945 -1.337 -12.513 910 HD11 ILE 117 3HD1 ILE 117 -7.303 1.292 -15.357 911 HD12 ILE 117 1HD1 ILE 117 -8.359 1.012 -13.954 912 HD13 ILE 117 2HD1 ILE 117 -6.658 0.474 -13.920 913 H SER 118 H SER 118 -9.576 -3.219 -17.307 914 HA SER 118 HA SER 118 -11.751 -1.302 -17.410 915 HB2 SER 118 1HB SER 118 -11.947 -1.885 -19.731 916 HB3 SER 118 2HB SER 118 -10.243 -1.692 -19.312 917 HG SER 118 HG SER 118 -10.050 -3.980 -19.250 918 H SER 119 H SER 119 -11.686 -4.665 -16.618 919 HA SER 119 HA SER 119 -14.576 -5.083 -16.951 920 HB2 SER 119 1HB SER 119 -12.482 -6.735 -15.486 921 HB3 SER 119 2HB SER 119 -14.121 -7.233 -15.916 922 HG SER 119 HG SER 119 -11.896 -6.774 -17.624 923 H CYS 120 H CYS 120 -12.847 -3.250 -14.702 924 HA CYS 120 HA CYS 120 -14.487 -4.044 -12.350 925 HB2 CYS 120 1HB CYS 120 -11.970 -2.372 -12.524 926 HB3 CYS 120 2HB CYS 120 -12.748 -2.949 -11.057 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -8.362 -8.649 10.478 2 H2 GLY 1 2H GLY 1 -6.905 -9.108 9.863 3 H3 GLY 1 3H GLY 1 -7.056 -7.651 10.601 4 HA2 GLY 1 1HA GLY 1 -8.468 -6.811 8.887 5 HA3 GLY 1 2HA GLY 1 -6.934 -7.412 8.228 6 H LYS 2 H LYS 2 -7.892 -7.673 6.195 7 HA LYS 2 HA LYS 2 -9.184 -10.238 5.706 8 HB2 LYS 2 1HB LYS 2 -11.165 -9.391 4.655 9 HB3 LYS 2 2HB LYS 2 -11.094 -8.722 6.285 10 HG2 LYS 2 1HG LYS 2 -10.230 -6.574 5.382 11 HG3 LYS 2 2HG LYS 2 -10.290 -7.228 3.743 12 HD2 LYS 2 1HD LYS 2 -12.719 -6.909 5.546 13 HD3 LYS 2 2HD LYS 2 -12.202 -5.747 4.314 14 HE2 LYS 2 1HE LYS 2 -12.404 -7.500 2.560 15 HE3 LYS 2 2HE LYS 2 -12.994 -8.643 3.776 16 HZ1 LYS 2 3HZ LYS 2 -14.825 -7.594 2.590 17 HZ2 LYS 2 1HZ LYS 2 -14.881 -7.156 4.163 18 HZ3 LYS 2 2HZ LYS 2 -14.337 -6.100 3.038 19 H THR 3 H THR 3 -9.440 -10.695 3.398 20 HA THR 3 HA THR 3 -7.369 -9.356 1.721 21 HB THR 3 HB THR 3 -8.567 -12.070 1.146 22 HG1 THR 3 1HG THR 3 -6.552 -11.358 2.993 23 HG21 THR 3 3HG2 THR 3 -6.329 -12.374 0.056 24 HG22 THR 3 1HG2 THR 3 -7.266 -11.054 -0.659 25 HG23 THR 3 2HG2 THR 3 -5.935 -10.686 0.454 26 H PHE 4 H PHE 4 -7.856 -8.411 -0.097 27 HA PHE 4 HA PHE 4 -10.690 -8.190 -0.976 28 HB2 PHE 4 1HB PHE 4 -8.207 -6.503 -1.466 29 HB3 PHE 4 2HB PHE 4 -9.718 -6.205 -2.275 30 HD1 PHE 4 1HD PHE 4 -8.212 -6.431 1.180 31 HD2 PHE 4 2HD PHE 4 -11.344 -4.769 -1.290 32 HE1 PHE 4 1HE PHE 4 -9.040 -5.115 3.102 33 HE2 PHE 4 2HE PHE 4 -12.169 -3.477 0.645 34 HZ PHE 4 HZ PHE 4 -11.035 -3.654 2.850 35 H THR 5 H THR 5 -11.151 -8.209 -3.211 36 HA THR 5 HA THR 5 -9.402 -9.915 -4.947 37 HB THR 5 HB THR 5 -11.705 -10.740 -4.635 38 HG1 THR 5 1HG THR 5 -11.920 -11.092 -6.842 39 HG21 THR 5 3HG2 THR 5 -13.588 -9.659 -5.702 40 HG22 THR 5 1HG2 THR 5 -12.912 -8.515 -4.536 41 HG23 THR 5 2HG2 THR 5 -12.582 -8.320 -6.276 42 H ARG 6 H ARG 6 -9.179 -9.120 -7.243 43 HA ARG 6 HA ARG 6 -8.057 -6.526 -7.192 44 HB2 ARG 6 1HB ARG 6 -7.478 -8.351 -8.787 45 HB3 ARG 6 2HB ARG 6 -8.965 -8.018 -9.684 46 HG2 ARG 6 1HG ARG 6 -8.197 -5.698 -10.116 47 HG3 ARG 6 2HG ARG 6 -6.741 -5.977 -9.151 48 HD2 ARG 6 1HD ARG 6 -7.485 -7.468 -11.698 49 HD3 ARG 6 2HD ARG 6 -6.359 -6.108 -11.603 50 HE ARG 6 HE ARG 6 -5.142 -7.668 -9.849 51 HH11 ARG 6 1HH1 ARG 6 -6.667 -8.919 -12.805 52 HH12 ARG 6 2HH1 ARG 6 -5.530 -10.228 -12.916 53 HH21 ARG 6 1HH2 ARG 6 -3.641 -9.199 -10.165 54 HH22 ARG 6 2HH2 ARG 6 -3.842 -10.413 -11.413 55 H CYS 7 H CYS 7 -11.248 -7.507 -8.537 56 HA CYS 7 HA CYS 7 -12.076 -4.912 -9.387 57 HB2 CYS 7 1HB CYS 7 -13.800 -7.206 -8.378 58 HB3 CYS 7 2HB CYS 7 -14.339 -5.846 -9.360 59 H GLY 8 H GLY 8 -12.273 -6.405 -6.173 60 HA2 GLY 8 1HA GLY 8 -13.860 -4.291 -4.946 61 HA3 GLY 8 2HA GLY 8 -12.920 -5.557 -4.112 62 H LEU 9 H LEU 9 -10.340 -5.070 -5.040 63 HA LEU 9 HA LEU 9 -9.450 -2.829 -3.537 64 HB2 LEU 9 1HB LEU 9 -8.165 -4.917 -4.002 65 HB3 LEU 9 2HB LEU 9 -8.061 -4.480 -5.708 66 HG LEU 9 HG LEU 9 -6.805 -2.433 -5.105 67 HD11 LEU 9 1HD1 LEU 9 -7.605 -1.965 -2.867 68 HD12 LEU 9 2HD1 LEU 9 -7.026 -3.534 -2.280 69 HD13 LEU 9 3HD1 LEU 9 -5.867 -2.265 -2.767 70 HD21 LEU 9 3HD2 LEU 9 -4.715 -3.521 -4.625 71 HD22 LEU 9 1HD2 LEU 9 -5.543 -4.915 -3.894 72 HD23 LEU 9 2HD2 LEU 9 -5.666 -4.610 -5.643 73 H VAL 10 H VAL 10 -9.711 -3.192 -7.124 74 HA VAL 10 HA VAL 10 -8.886 -0.608 -7.880 75 HB VAL 10 HB VAL 10 -11.048 -2.403 -9.045 76 HG11 VAL 10 1HG1 VAL 10 -11.745 -0.249 -9.808 77 HG12 VAL 10 2HG1 VAL 10 -10.085 0.284 -10.085 78 HG13 VAL 10 3HG1 VAL 10 -10.816 -0.938 -11.138 79 HG21 VAL 10 3HG2 VAL 10 -9.418 -2.817 -10.815 80 HG22 VAL 10 1HG2 VAL 10 -8.278 -1.668 -10.086 81 HG23 VAL 10 2HG2 VAL 10 -8.678 -3.177 -9.256 82 H HIS 11 H HIS 11 -12.132 -1.627 -6.784 83 HA HIS 11 HA HIS 11 -13.355 0.991 -6.952 84 HB2 HIS 11 1HB HIS 11 -14.105 -1.548 -5.460 85 HB3 HIS 11 2HB HIS 11 -15.086 -0.096 -5.458 86 HD2 HIS 11 2HD HIS 11 -13.729 -0.426 -8.916 87 HE1 HIS 11 1HE HIS 11 -17.487 -2.423 -8.999 88 HE2 HIS 11 2HE HIS 11 -15.636 -1.448 -10.434 89 H GLU 12 H GLU 12 -11.949 -0.797 -4.180 90 HA GLU 12 HA GLU 12 -12.583 1.093 -2.167 91 HB2 GLU 12 1HB GLU 12 -11.574 -1.391 -2.150 92 HB3 GLU 12 2HB GLU 12 -10.046 -0.545 -2.052 93 HG2 GLU 12 1HG GLU 12 -10.863 -1.188 0.143 94 HG3 GLU 12 2HG GLU 12 -10.839 0.579 0.009 95 H LEU 13 H LEU 13 -9.676 0.841 -4.245 96 HA LEU 13 HA LEU 13 -8.356 3.171 -3.138 97 HB2 LEU 13 1HB LEU 13 -8.068 1.741 -5.794 98 HB3 LEU 13 2HB LEU 13 -6.910 2.902 -5.153 99 HG LEU 13 HG LEU 13 -7.593 0.263 -3.848 100 HD11 LEU 13 1HD1 LEU 13 -6.458 -0.036 -5.989 101 HD12 LEU 13 2HD1 LEU 13 -5.200 1.134 -5.510 102 HD13 LEU 13 3HD1 LEU 13 -5.344 -0.424 -4.659 103 HD21 LEU 13 3HD2 LEU 13 -5.621 0.634 -2.462 104 HD22 LEU 13 1HD2 LEU 13 -5.392 2.248 -3.197 105 HD23 LEU 13 2HD2 LEU 13 -6.820 1.903 -2.195 106 H ARG 14 H ARG 14 -10.449 2.713 -6.001 107 HA ARG 14 HA ARG 14 -10.377 5.398 -6.973 108 HB2 ARG 14 1HB ARG 14 -12.527 3.269 -7.046 109 HB3 ARG 14 2HB ARG 14 -12.824 4.879 -7.694 110 HG2 ARG 14 1HG ARG 14 -11.112 4.684 -9.345 111 HG3 ARG 14 2HG ARG 14 -10.482 3.193 -8.623 112 HD2 ARG 14 1HD ARG 14 -12.535 2.001 -9.115 113 HD3 ARG 14 2HD ARG 14 -13.290 3.480 -9.758 114 HE ARG 14 HE ARG 14 -10.920 3.015 -11.214 115 HH11 ARG 14 1HH1 ARG 14 -14.112 1.512 -10.835 116 HH12 ARG 14 2HH1 ARG 14 -13.965 0.630 -12.343 117 HH21 ARG 14 1HH2 ARG 14 -10.890 1.876 -13.221 118 HH22 ARG 14 2HH2 ARG 14 -12.249 0.858 -13.628 119 H LYS 15 H LYS 15 -12.434 4.012 -4.365 120 HA LYS 15 HA LYS 15 -13.737 6.544 -3.742 121 HB2 LYS 15 1HB LYS 15 -13.440 3.922 -2.220 122 HB3 LYS 15 2HB LYS 15 -14.402 5.274 -1.643 123 HG2 LYS 15 1HG LYS 15 -14.915 3.825 -4.280 124 HG3 LYS 15 2HG LYS 15 -15.718 3.469 -2.750 125 HD2 LYS 15 1HD LYS 15 -16.604 5.806 -2.685 126 HD3 LYS 15 2HD LYS 15 -15.867 6.108 -4.275 127 HE2 LYS 15 1HE LYS 15 -17.190 4.249 -5.249 128 HE3 LYS 15 2HE LYS 15 -17.922 3.935 -3.669 129 HZ1 LYS 15 3HZ LYS 15 -19.364 5.302 -5.053 130 HZ2 LYS 15 1HZ LYS 15 -18.895 6.164 -3.748 131 HZ3 LYS 15 2HZ LYS 15 -18.221 6.457 -5.210 132 H HIS 16 H HIS 16 -10.727 5.068 -2.679 133 HA HIS 16 HA HIS 16 -10.325 7.057 -0.557 134 HB2 HIS 16 1HB HIS 16 -8.677 4.683 -1.507 135 HB3 HIS 16 2HB HIS 16 -8.248 5.730 -0.157 136 HD2 HIS 16 2HD HIS 16 -8.427 3.067 0.908 137 HE1 HIS 16 1HE HIS 16 -12.532 3.511 1.856 138 HE2 HIS 16 2HE HIS 16 -10.462 2.165 2.346 139 H GLY 17 H GLY 17 -9.998 7.460 -3.768 140 HA2 GLY 17 1HA GLY 17 -9.314 9.514 -4.667 141 HA3 GLY 17 2HA GLY 17 -8.196 9.769 -3.309 142 H PHE 18 H PHE 18 -8.075 6.737 -5.108 143 HA PHE 18 HA PHE 18 -5.416 7.436 -6.204 144 HB2 PHE 18 1HB PHE 18 -7.002 4.880 -6.051 145 HB3 PHE 18 2HB PHE 18 -5.461 5.013 -6.870 146 HD1 PHE 18 2HD PHE 18 -6.947 5.784 -3.448 147 HD2 PHE 18 1HD PHE 18 -3.556 4.390 -5.702 148 HE1 PHE 18 2HE PHE 18 -5.726 5.418 -1.367 149 HE2 PHE 18 1HE PHE 18 -2.334 3.957 -3.588 150 HZ PHE 18 HZ PHE 18 -3.412 4.469 -1.410 151 H GLU 19 H GLU 19 -5.000 7.683 -8.375 152 HA GLU 19 HA GLU 19 -7.202 8.499 -10.058 153 HB2 GLU 19 1HB GLU 19 -4.239 8.158 -10.633 154 HB3 GLU 19 2HB GLU 19 -5.390 8.893 -11.742 155 HG2 GLU 19 1HG GLU 19 -4.692 9.955 -8.974 156 HG3 GLU 19 2HG GLU 19 -4.042 10.544 -10.501 157 H GLU 20 H GLU 20 -8.199 7.477 -11.728 158 HA GLU 20 HA GLU 20 -8.086 4.687 -12.012 159 HB2 GLU 20 1HB GLU 20 -9.580 4.938 -13.886 160 HB3 GLU 20 2HB GLU 20 -10.038 6.019 -12.571 161 HG2 GLU 20 1HG GLU 20 -8.946 7.924 -13.791 162 HG3 GLU 20 2HG GLU 20 -8.556 6.826 -15.117 163 H ASN 21 H ASN 21 -6.141 7.094 -13.732 164 HA ASN 21 HA ASN 21 -5.179 5.175 -15.706 165 HB2 ASN 21 1HB ASN 21 -3.936 6.899 -16.623 166 HB3 ASN 21 2HB ASN 21 -5.406 7.682 -16.066 167 HD21 ASN 21 2HD2 ASN 21 -5.212 9.278 -14.338 168 HD22 ASN 21 1HD2 ASN 21 -3.639 9.806 -13.783 169 H LEU 22 H LEU 22 -4.305 5.911 -12.437 170 HA LEU 22 HA LEU 22 -1.645 4.565 -12.664 171 HB2 LEU 22 1HB LEU 22 -2.967 5.986 -10.320 172 HB3 LEU 22 2HB LEU 22 -1.327 5.350 -10.364 173 HG LEU 22 HG LEU 22 -2.410 7.695 -11.966 174 HD11 LEU 22 1HD1 LEU 22 -1.998 8.133 -9.564 175 HD12 LEU 22 2HD1 LEU 22 -0.333 7.537 -9.740 176 HD13 LEU 22 3HD1 LEU 22 -0.851 9.012 -10.589 177 HD21 LEU 22 3HD2 LEU 22 -0.111 8.069 -12.758 178 HD22 LEU 22 1HD2 LEU 22 0.420 6.555 -11.994 179 HD23 LEU 22 2HD2 LEU 22 -0.735 6.529 -13.348 180 H MET 23 H MET 23 -4.904 3.953 -11.709 181 HA MET 23 HA MET 23 -4.829 2.195 -9.665 182 HB2 MET 23 1HB MET 23 -6.762 3.126 -11.059 183 HB3 MET 23 2HB MET 23 -6.557 1.765 -12.125 184 HG2 MET 23 1HG MET 23 -8.360 1.379 -10.475 185 HG3 MET 23 2HG MET 23 -7.063 0.212 -10.242 186 HE1 MET 23 3HE MET 23 -8.096 3.848 -7.629 187 HE2 MET 23 1HE MET 23 -6.823 4.083 -8.853 188 HE3 MET 23 2HE MET 23 -8.457 3.604 -9.344 189 H ARG 24 H ARG 24 -4.242 1.130 -13.068 190 HA ARG 24 HA ARG 24 -3.840 -1.610 -12.583 191 HB2 ARG 24 1HB ARG 24 -2.428 0.173 -14.620 192 HB3 ARG 24 2HB ARG 24 -2.486 -1.595 -14.645 193 HG2 ARG 24 1HG ARG 24 -4.984 -1.480 -14.799 194 HG3 ARG 24 2HG ARG 24 -4.863 0.286 -14.906 195 HD2 ARG 24 1HD ARG 24 -5.106 -0.520 -17.130 196 HD3 ARG 24 2HD ARG 24 -3.422 0.009 -16.951 197 HE ARG 24 HE ARG 24 -3.743 -2.800 -16.334 198 HH11 ARG 24 1HH1 ARG 24 -3.594 -0.666 -19.156 199 HH12 ARG 24 2HH1 ARG 24 -3.034 -1.936 -20.200 200 HH21 ARG 24 1HH2 ARG 24 -2.948 -4.382 -17.735 201 HH22 ARG 24 2HH2 ARG 24 -2.704 -4.007 -19.409 202 H ASN 25 H ASN 25 -1.392 1.022 -12.392 203 HA ASN 25 HA ASN 25 0.821 -0.707 -11.640 204 HB2 ASN 25 1HB ASN 25 0.338 2.289 -11.406 205 HB3 ASN 25 2HB ASN 25 1.752 1.506 -10.719 206 HD21 ASN 25 2HD2 ASN 25 0.327 2.654 -13.702 207 HD22 ASN 25 1HD2 ASN 25 1.685 2.191 -14.707 208 H TRP 26 H TRP 26 -1.551 1.256 -9.748 209 HA TRP 26 HA TRP 26 -0.407 0.662 -7.213 210 HB2 TRP 26 1HB TRP 26 -3.131 1.626 -8.116 211 HB3 TRP 26 2HB TRP 26 -2.801 1.274 -6.430 212 HD1 TRP 26 HD TRP 26 -2.729 4.094 -8.687 213 HE1 TRP 26 1HE TRP 26 -1.481 6.074 -7.646 214 HE3 TRP 26 3HE TRP 26 -0.203 1.605 -4.993 215 HZ2 TRP 26 2HZ TRP 26 0.187 6.560 -5.320 216 HZ3 TRP 26 3HZ TRP 26 1.197 2.849 -3.373 217 HH2 TRP 26 HH TRP 26 1.380 5.324 -3.508 218 H VAL 27 H VAL 27 -3.217 -0.987 -8.830 219 HA VAL 27 HA VAL 27 -3.472 -2.842 -6.653 220 HB VAL 27 HB VAL 27 -4.875 -4.239 -7.936 221 HG11 VAL 27 1HG1 VAL 27 -5.717 -2.044 -7.118 222 HG12 VAL 27 2HG1 VAL 27 -5.488 -1.381 -8.748 223 HG13 VAL 27 3HG1 VAL 27 -6.619 -2.720 -8.480 224 HG21 VAL 27 3HG2 VAL 27 -5.363 -3.868 -10.347 225 HG22 VAL 27 1HG2 VAL 27 -3.976 -2.760 -10.431 226 HG23 VAL 27 2HG2 VAL 27 -3.733 -4.477 -10.036 227 H CYS 28 H CYS 28 -1.459 -3.019 -9.608 228 HA CYS 28 HA CYS 28 -0.629 -5.743 -9.134 229 HB2 CYS 28 1HB CYS 28 -0.615 -4.399 -11.268 230 HB3 CYS 28 2HB CYS 28 0.846 -3.606 -10.705 231 H LEU 29 H LEU 29 0.852 -2.592 -8.277 232 HA LEU 29 HA LEU 29 3.108 -3.533 -6.827 233 HB2 LEU 29 1HB LEU 29 2.703 -1.242 -7.552 234 HB3 LEU 29 2HB LEU 29 1.327 -1.072 -6.481 235 HG LEU 29 HG LEU 29 4.178 -1.509 -5.494 236 HD11 LEU 29 1HD1 LEU 29 3.938 0.580 -6.855 237 HD12 LEU 29 2HD1 LEU 29 2.591 1.083 -5.809 238 HD13 LEU 29 3HD1 LEU 29 4.231 0.924 -5.152 239 HD21 LEU 29 3HD2 LEU 29 3.237 -0.405 -3.410 240 HD22 LEU 29 1HD2 LEU 29 1.615 -0.606 -4.099 241 HD23 LEU 29 2HD2 LEU 29 2.624 -2.020 -3.710 242 H VAL 30 H VAL 30 -0.190 -2.761 -5.589 243 HA VAL 30 HA VAL 30 0.248 -3.684 -2.948 244 HB VAL 30 HB VAL 30 -2.252 -3.415 -4.629 245 HG11 VAL 30 1HG1 VAL 30 -2.853 -5.177 -3.078 246 HG12 VAL 30 2HG1 VAL 30 -2.123 -4.290 -1.724 247 HG13 VAL 30 3HG1 VAL 30 -3.584 -3.673 -2.537 248 HG21 VAL 30 3HG2 VAL 30 -2.672 -1.492 -3.176 249 HG22 VAL 30 1HG2 VAL 30 -1.259 -1.896 -2.174 250 HG23 VAL 30 2HG2 VAL 30 -1.037 -1.355 -3.845 251 H GLU 31 H GLU 31 -0.898 -5.572 -5.799 252 HA GLU 31 HA GLU 31 -1.254 -8.030 -4.389 253 HB2 GLU 31 1HB GLU 31 -0.674 -7.370 -7.293 254 HB3 GLU 31 2HB GLU 31 -0.827 -9.042 -6.726 255 HG2 GLU 31 1HG GLU 31 -3.061 -8.739 -6.005 256 HG3 GLU 31 2HG GLU 31 -3.004 -6.987 -6.200 257 H HIS 32 H HIS 32 1.690 -6.711 -5.959 258 HA HIS 32 HA HIS 32 3.243 -9.067 -5.233 259 HB2 HIS 32 1HB HIS 32 3.829 -6.407 -6.504 260 HB3 HIS 32 2HB HIS 32 5.116 -7.564 -6.108 261 HD2 HIS 32 2HD HIS 32 3.161 -6.657 -8.984 262 HE1 HIS 32 1HE HIS 32 3.650 -10.848 -9.517 263 HE2 HIS 32 2HE HIS 32 2.945 -8.677 -10.654 264 H GLU 33 H GLU 33 2.540 -6.088 -3.553 265 HA GLU 33 HA GLU 33 4.741 -6.467 -1.610 266 HB2 GLU 33 1HB GLU 33 2.489 -4.440 -1.821 267 HB3 GLU 33 2HB GLU 33 3.593 -4.511 -0.454 268 HG2 GLU 33 1HG GLU 33 4.407 -4.039 -3.350 269 HG3 GLU 33 2HG GLU 33 4.266 -2.815 -2.094 270 H SER 34 H SER 34 1.100 -6.435 -1.352 271 HA SER 34 HA SER 34 1.394 -8.038 1.163 272 HB2 SER 34 1HB SER 34 -0.724 -5.950 0.622 273 HB3 SER 34 2HB SER 34 -0.348 -6.761 2.151 274 HG SER 34 HG SER 34 1.081 -4.763 0.775 275 H SER 35 H SER 35 0.394 -8.521 -1.892 276 HA SER 35 HA SER 35 -1.067 -9.882 -2.939 277 HB2 SER 35 1HB SER 35 -1.587 -11.276 -0.318 278 HB3 SER 35 2HB SER 35 -1.661 -11.935 -1.956 279 HG SER 35 HG SER 35 0.651 -11.668 -2.071 280 H ARG 36 H ARG 36 -2.203 -7.467 -1.598 281 HA ARG 36 HA ARG 36 -4.158 -6.406 -1.341 282 HB2 ARG 36 1HB ARG 36 -5.774 -8.787 -2.276 283 HB3 ARG 36 2HB ARG 36 -6.144 -7.068 -2.394 284 HG2 ARG 36 1HG ARG 36 -4.159 -6.894 -4.012 285 HG3 ARG 36 2HG ARG 36 -4.126 -8.648 -4.026 286 HD2 ARG 36 1HD ARG 36 -6.613 -7.047 -4.740 287 HD3 ARG 36 2HD ARG 36 -5.440 -7.610 -5.922 288 HE ARG 36 HE ARG 36 -7.036 -9.375 -4.098 289 HH11 ARG 36 1HH1 ARG 36 -5.494 -9.024 -7.313 290 HH12 ARG 36 2HH1 ARG 36 -5.925 -10.655 -7.736 291 HH21 ARG 36 1HH2 ARG 36 -7.472 -11.429 -4.734 292 HH22 ARG 36 2HH2 ARG 36 -7.062 -11.972 -6.332 293 H ASP 37 H ASP 37 -3.054 -8.073 0.835 294 HA ASP 37 HA ASP 37 -5.492 -8.692 2.455 295 HB2 ASP 37 1HB ASP 37 -4.102 -10.676 1.851 296 HB3 ASP 37 2HB ASP 37 -2.708 -9.911 2.593 297 H THR 38 H THR 38 -5.855 -7.272 4.058 298 HA THR 38 HA THR 38 -3.853 -5.309 4.813 299 HB THR 38 HB THR 38 -5.384 -4.603 6.606 300 HG1 THR 38 1HG THR 38 -7.351 -5.515 6.772 301 HG21 THR 38 3HG2 THR 38 -7.230 -3.819 5.195 302 HG22 THR 38 1HG2 THR 38 -5.671 -3.635 4.383 303 HG23 THR 38 2HG2 THR 38 -6.769 -4.968 3.925 304 H SER 39 H SER 39 -4.692 -8.461 6.098 305 HA SER 39 HA SER 39 -3.418 -8.134 8.664 306 HB2 SER 39 1HB SER 39 -4.116 -10.639 7.094 307 HB3 SER 39 2HB SER 39 -3.696 -10.570 8.807 308 HG SER 39 HG SER 39 -5.990 -10.650 8.302 309 H LYS 40 H LYS 40 -1.914 -8.298 5.621 310 HA LYS 40 HA LYS 40 0.170 -10.187 6.190 311 HB2 LYS 40 1HB LYS 40 -0.655 -9.448 3.904 312 HB3 LYS 40 2HB LYS 40 0.168 -7.919 4.174 313 HG2 LYS 40 1HG LYS 40 1.849 -9.002 3.034 314 HG3 LYS 40 2HG LYS 40 2.301 -9.488 4.632 315 HD2 LYS 40 1HD LYS 40 2.421 -11.452 3.353 316 HD3 LYS 40 2HD LYS 40 0.896 -11.632 4.241 317 HE2 LYS 40 1HE LYS 40 -0.360 -10.824 2.264 318 HE3 LYS 40 2HE LYS 40 1.154 -10.497 1.418 319 HZ1 LYS 40 3HZ LYS 40 0.326 -12.539 0.632 320 HZ2 LYS 40 1HZ LYS 40 1.628 -12.910 1.538 321 HZ3 LYS 40 2HZ LYS 40 0.124 -13.175 2.140 322 H THR 41 H THR 41 2.156 -9.995 6.952 323 HA THR 41 HA THR 41 3.455 -7.430 7.577 324 HB THR 41 HB THR 41 4.172 -8.448 9.856 325 HG1 THR 41 1HG THR 41 3.202 -10.484 9.518 326 HG21 THR 41 3HG2 THR 41 2.228 -7.556 11.072 327 HG22 THR 41 1HG2 THR 41 2.856 -6.458 9.851 328 HG23 THR 41 2HG2 THR 41 1.356 -7.372 9.530 329 H ASN 42 H ASN 42 5.638 -7.493 7.735 330 HA ASN 42 HA ASN 42 7.096 -10.046 7.356 331 HB2 ASN 42 1HB ASN 42 6.991 -7.756 5.344 332 HB3 ASN 42 2HB ASN 42 8.320 -8.902 5.398 333 HD21 ASN 42 2HD2 ASN 42 5.041 -8.414 4.344 334 HD22 ASN 42 1HD2 ASN 42 4.879 -9.992 3.573 335 H THR 43 H THR 43 8.962 -10.037 8.496 336 HA THR 43 HA THR 43 9.961 -7.552 9.755 337 HB THR 43 HB THR 43 10.987 -10.396 10.052 338 HG1 THR 43 1HG THR 43 9.546 -10.621 11.629 339 HG21 THR 43 3HG2 THR 43 11.739 -9.521 12.286 340 HG22 THR 43 1HG2 THR 43 12.561 -8.727 10.941 341 HG23 THR 43 2HG2 THR 43 11.243 -7.888 11.790 342 H ASN 44 H ASN 44 11.908 -6.622 9.382 343 HA ASN 44 HA ASN 44 13.337 -7.357 6.872 344 HB2 ASN 44 1HB ASN 44 13.312 -4.775 8.494 345 HB3 ASN 44 2HB ASN 44 14.173 -5.030 6.980 346 HD21 ASN 44 2HD2 ASN 44 11.003 -4.669 8.445 347 HD22 ASN 44 1HD2 ASN 44 10.159 -4.252 6.937 348 H ARG 45 H ARG 45 15.616 -7.233 6.780 349 HA ARG 45 HA ARG 45 17.159 -8.404 8.850 350 HB2 ARG 45 1HB ARG 45 19.096 -7.784 7.518 351 HB3 ARG 45 2HB ARG 45 17.804 -8.467 6.522 352 HG2 ARG 45 1HG ARG 45 17.202 -6.145 5.777 353 HG3 ARG 45 2HG ARG 45 18.558 -5.516 6.733 354 HD2 ARG 45 1HD ARG 45 20.131 -6.910 5.385 355 HD3 ARG 45 2HD ARG 45 18.769 -7.505 4.437 356 HE ARG 45 HE ARG 45 18.607 -5.489 3.310 357 HH11 ARG 45 1HH1 ARG 45 20.972 -5.047 5.911 358 HH12 ARG 45 2HH1 ARG 45 21.518 -3.526 5.271 359 HH21 ARG 45 1HH2 ARG 45 19.360 -3.529 2.548 360 HH22 ARG 45 2HH2 ARG 45 20.616 -2.682 3.397 361 H ASN 46 H ASN 46 16.526 -5.062 8.178 362 HA ASN 46 HA ASN 46 18.349 -3.882 10.059 363 HB2 ASN 46 1HB ASN 46 17.391 -2.856 7.968 364 HB3 ASN 46 2HB ASN 46 15.836 -2.710 8.790 365 HD21 ASN 46 2HD2 ASN 46 19.338 -1.859 9.373 366 HD22 ASN 46 1HD2 ASN 46 18.966 -0.260 9.988 367 H GLY 47 H GLY 47 15.587 -5.675 10.783 368 HA2 GLY 47 1HA GLY 47 14.867 -6.232 12.905 369 HA3 GLY 47 2HA GLY 47 15.632 -4.778 13.583 370 H SER 48 H SER 48 13.795 -3.661 11.065 371 HA SER 48 HA SER 48 11.430 -2.994 12.729 372 HB2 SER 48 1HB SER 48 10.963 -1.469 10.798 373 HB3 SER 48 2HB SER 48 12.485 -1.149 11.634 374 HG SER 48 HG SER 48 12.953 -1.128 9.457 375 H LYS 49 H LYS 49 9.284 -3.122 11.657 376 HA LYS 49 HA LYS 49 9.024 -5.471 9.825 377 HB2 LYS 49 1HB LYS 49 8.426 -5.835 12.334 378 HB3 LYS 49 2HB LYS 49 6.994 -4.866 11.973 379 HG2 LYS 49 1HG LYS 49 6.465 -6.515 10.107 380 HG3 LYS 49 2HG LYS 49 7.771 -7.521 10.734 381 HD2 LYS 49 1HD LYS 49 5.232 -6.663 12.172 382 HD3 LYS 49 2HD LYS 49 5.587 -8.276 11.569 383 HE2 LYS 49 1HE LYS 49 7.184 -6.878 13.754 384 HE3 LYS 49 2HE LYS 49 5.833 -7.966 14.065 385 HZ1 LYS 49 3HZ LYS 49 7.992 -9.104 14.176 386 HZ2 LYS 49 1HZ LYS 49 7.040 -9.754 13.021 387 HZ3 LYS 49 2HZ LYS 49 8.282 -8.789 12.594 388 H ASP 50 H ASP 50 7.392 -5.460 8.403 389 HA ASP 50 HA ASP 50 6.258 -2.843 7.581 390 HB2 ASP 50 1HB ASP 50 6.510 -5.519 6.148 391 HB3 ASP 50 2HB ASP 50 5.861 -4.044 5.461 392 H TYR 51 H TYR 51 4.051 -2.569 7.375 393 HA TYR 51 HA TYR 51 2.177 -4.758 8.199 394 HB2 TYR 51 1HB TYR 51 2.347 -1.883 9.189 395 HB3 TYR 51 2HB TYR 51 1.078 -3.019 9.610 396 HD1 TYR 51 2HD TYR 51 4.670 -2.181 10.016 397 HD2 TYR 51 1HD TYR 51 1.389 -4.603 11.393 398 HE1 TYR 51 2HE TYR 51 5.957 -2.761 12.043 399 HE2 TYR 51 1HE TYR 51 2.665 -5.180 13.446 400 HH TYR 51 HH TYR 51 4.615 -4.869 14.635 401 H GLY 52 H GLY 52 0.065 -4.642 7.425 402 HA2 GLY 52 1HA GLY 52 -1.818 -3.812 6.349 403 HA3 GLY 52 2HA GLY 52 -1.015 -2.239 6.207 404 H LEU 53 H LEU 53 -2.431 -2.568 4.201 405 HA LEU 53 HA LEU 53 -1.713 -4.438 2.235 406 HB2 LEU 53 1HB LEU 53 -3.791 -2.590 2.685 407 HB3 LEU 53 2HB LEU 53 -2.959 -1.839 1.342 408 HG LEU 53 HG LEU 53 -3.075 -4.332 0.313 409 HD11 LEU 53 1HD1 LEU 53 -4.068 -5.242 2.385 410 HD12 LEU 53 2HD1 LEU 53 -5.479 -4.184 2.165 411 HD13 LEU 53 3HD1 LEU 53 -5.152 -5.446 0.986 412 HD21 LEU 53 3HD2 LEU 53 -5.192 -3.759 -0.747 413 HD22 LEU 53 1HD2 LEU 53 -5.453 -2.451 0.442 414 HD23 LEU 53 2HD2 LEU 53 -4.101 -2.344 -0.706 415 H PHE 54 H PHE 54 -0.052 -1.571 2.815 416 HA PHE 54 HA PHE 54 1.359 -1.789 0.180 417 HB2 PHE 54 1HB PHE 54 1.068 0.604 2.021 418 HB3 PHE 54 2HB PHE 54 1.966 0.579 0.518 419 HD1 PHE 54 2HD PHE 54 -1.450 0.375 1.976 420 HD2 PHE 54 1HD PHE 54 0.868 0.831 -1.624 421 HE1 PHE 54 2HE PHE 54 -3.502 1.005 0.749 422 HE2 PHE 54 1HE PHE 54 -1.188 1.503 -2.842 423 HZ PHE 54 HZ PHE 54 -3.373 1.588 -1.666 424 H GLN 55 H GLN 55 1.742 -3.222 2.921 425 HA GLN 55 HA GLN 55 3.342 -3.724 4.443 426 HB2 GLN 55 1HB GLN 55 4.804 -3.801 1.782 427 HB3 GLN 55 2HB GLN 55 5.614 -4.292 3.265 428 HG2 GLN 55 1HG GLN 55 3.342 -5.624 1.853 429 HG3 GLN 55 2HG GLN 55 4.903 -6.269 2.275 430 HE21 GLN 55 2HE2 GLN 55 1.614 -5.680 3.465 431 HE22 GLN 55 1HE2 GLN 55 1.872 -6.434 5.034 432 H ILE 56 H ILE 56 2.938 -1.427 5.213 433 HA ILE 56 HA ILE 56 5.079 0.514 4.710 434 HB ILE 56 HB ILE 56 2.692 0.779 6.586 435 HG12 ILE 56 1HG1 ILE 56 2.963 1.345 3.593 436 HG13 ILE 56 2HG1 ILE 56 1.811 0.230 4.359 437 HG21 ILE 56 1HG2 ILE 56 4.580 2.388 6.829 438 HG22 ILE 56 2HG2 ILE 56 4.346 2.882 5.138 439 HG23 ILE 56 3HG2 ILE 56 3.074 3.145 6.360 440 HD11 ILE 56 3HD1 ILE 56 0.538 2.110 3.741 441 HD12 ILE 56 1HD1 ILE 56 0.794 2.306 5.490 442 HD13 ILE 56 2HD1 ILE 56 1.766 3.238 4.317 443 H ASN 57 H ASN 57 6.729 1.025 6.046 444 HA ASN 57 HA ASN 57 7.244 -0.875 8.199 445 HB2 ASN 57 1HB ASN 57 8.797 -0.433 6.317 446 HB3 ASN 57 2HB ASN 57 9.027 1.210 6.936 447 HD21 ASN 57 2HD2 ASN 57 9.742 -2.195 7.411 448 HD22 ASN 57 1HD2 ASN 57 10.969 -1.935 8.661 449 H ASP 58 H ASP 58 7.551 -0.497 10.272 450 HA ASP 58 HA ASP 58 6.392 1.722 11.541 451 HB2 ASP 58 1HB ASP 58 6.868 0.701 13.561 452 HB3 ASP 58 2HB ASP 58 6.579 -0.606 12.424 453 H ARG 59 H ARG 59 9.592 1.624 10.363 454 HA ARG 59 HA ARG 59 10.666 3.511 12.366 455 HB2 ARG 59 1HB ARG 59 11.858 1.487 11.544 456 HB3 ARG 59 2HB ARG 59 11.994 2.228 9.950 457 HG2 ARG 59 1HG ARG 59 13.502 3.871 10.676 458 HG3 ARG 59 2HG ARG 59 13.048 3.707 12.376 459 HD2 ARG 59 1HD ARG 59 14.425 1.499 10.796 460 HD3 ARG 59 2HD ARG 59 15.303 2.719 11.734 461 HE ARG 59 HE ARG 59 13.604 1.830 13.615 462 HH11 ARG 59 1HH1 ARG 59 15.672 -0.085 11.458 463 HH12 ARG 59 2HH1 ARG 59 15.835 -1.366 12.610 464 HH21 ARG 59 1HH2 ARG 59 13.847 0.129 15.046 465 HH22 ARG 59 2HH2 ARG 59 14.817 -1.246 14.610 466 H TYR 60 H TYR 60 9.127 3.719 9.298 467 HA TYR 60 HA TYR 60 10.352 6.415 8.753 468 HB2 TYR 60 1HB TYR 60 9.498 4.223 6.845 469 HB3 TYR 60 2HB TYR 60 10.143 5.780 6.368 470 HD1 TYR 60 2HD TYR 60 12.507 6.321 7.814 471 HD2 TYR 60 1HD TYR 60 10.988 2.439 6.715 472 HE1 TYR 60 2HE TYR 60 14.777 5.359 8.088 473 HE2 TYR 60 1HE TYR 60 13.257 1.466 7.003 474 HH TYR 60 HH TYR 60 16.075 3.459 7.998 475 H TRP 61 H TRP 61 7.241 4.694 8.741 476 HA TRP 61 HA TRP 61 5.932 7.218 7.752 477 HB2 TRP 61 1HB TRP 61 5.286 4.426 6.833 478 HB3 TRP 61 2HB TRP 61 4.675 5.913 6.170 479 HD1 TRP 61 HD TRP 61 7.012 3.297 5.454 480 HE1 TRP 61 1HE TRP 61 8.737 3.947 3.669 481 HE3 TRP 61 3HE TRP 61 6.217 8.356 5.373 482 HZ2 TRP 61 2HZ TRP 61 9.560 6.343 2.279 483 HZ3 TRP 61 3HZ TRP 61 7.399 9.780 3.736 484 HH2 TRP 61 HH TRP 61 9.084 8.795 2.190 485 H CYS 62 H CYS 62 5.075 3.946 9.008 486 HA CYS 62 HA CYS 62 2.982 5.163 10.742 487 HB2 CYS 62 1HB CYS 62 2.330 2.742 11.092 488 HB3 CYS 62 2HB CYS 62 2.073 3.380 9.491 489 H SER 63 H SER 63 2.807 4.137 12.954 490 HA SER 63 HA SER 63 5.503 3.854 14.252 491 HB2 SER 63 1HB SER 63 4.153 5.945 14.745 492 HB3 SER 63 2HB SER 63 2.927 4.905 15.477 493 HG SER 63 HG SER 63 4.381 5.621 17.072 494 H LYS 64 H LYS 64 5.880 2.111 15.505 495 HA LYS 64 HA LYS 64 3.872 -0.029 15.718 496 HB2 LYS 64 1HB LYS 64 5.736 -1.307 16.735 497 HB3 LYS 64 2HB LYS 64 6.097 -0.708 15.130 498 HG2 LYS 64 1HG LYS 64 7.592 0.957 15.937 499 HG3 LYS 64 2HG LYS 64 6.934 0.905 17.577 500 HD2 LYS 64 1HD LYS 64 7.864 -1.248 18.013 501 HD3 LYS 64 2HD LYS 64 8.410 -1.429 16.320 502 HE2 LYS 64 1HE LYS 64 9.871 0.545 16.577 503 HE3 LYS 64 2HE LYS 64 9.324 0.753 18.247 504 HZ1 LYS 64 3HZ LYS 64 11.442 -0.424 18.159 505 HZ2 LYS 64 1HZ LYS 64 10.300 -1.422 18.765 506 HZ3 LYS 64 2HZ LYS 64 10.811 -1.605 17.221 507 H GLY 65 H GLY 65 4.672 2.596 17.717 508 HA2 GLY 65 1HA GLY 65 4.486 1.280 20.317 509 HA3 GLY 65 2HA GLY 65 4.536 3.018 20.000 510 H ALA 66 H ALA 66 2.913 2.832 21.866 511 HA ALA 66 HA ALA 66 0.375 1.565 21.481 512 HB1 ALA 66 1HB ALA 66 1.440 1.963 23.679 513 HB2 ALA 66 2HB ALA 66 1.238 3.719 23.464 514 HB3 ALA 66 3HB ALA 66 -0.184 2.666 23.615 515 H SER 67 H SER 67 1.398 4.310 19.915 516 HA SER 67 HA SER 67 -1.267 5.384 19.347 517 HB2 SER 67 1HB SER 67 -0.637 7.647 20.111 518 HB3 SER 67 2HB SER 67 -0.683 6.480 21.440 519 HG SER 67 HG SER 67 1.174 7.837 21.544 520 HA PRO 68 HA PRO 68 0.861 6.271 15.514 521 HB2 PRO 68 1HB PRO 68 -0.536 8.414 14.503 522 HB3 PRO 68 2HB PRO 68 -1.234 6.767 14.610 523 HG2 PRO 68 1HG PRO 68 -1.589 9.058 16.560 524 HG3 PRO 68 2HG PRO 68 -2.854 8.021 15.822 525 HD2 PRO 68 1HD PRO 68 -1.869 7.512 18.294 526 HD3 PRO 68 2HD PRO 68 -2.263 6.175 17.174 527 H GLY 69 H GLY 69 2.467 7.804 14.625 528 HA2 GLY 69 1HA GLY 69 3.048 10.374 15.633 529 HA3 GLY 69 2HA GLY 69 3.800 9.259 16.753 530 H LYS 70 H LYS 70 3.612 8.827 13.227 531 HA LYS 70 HA LYS 70 6.520 9.478 12.915 532 HB2 LYS 70 1HB LYS 70 5.034 7.018 11.983 533 HB3 LYS 70 2HB LYS 70 6.499 7.543 11.169 534 HG2 LYS 70 1HG LYS 70 6.769 7.414 14.141 535 HG3 LYS 70 2HG LYS 70 6.384 5.896 13.380 536 HD2 LYS 70 1HD LYS 70 8.750 6.071 13.602 537 HD3 LYS 70 2HD LYS 70 8.332 6.097 11.884 538 HE2 LYS 70 1HE LYS 70 8.693 8.511 11.774 539 HE3 LYS 70 2HE LYS 70 8.876 8.609 13.532 540 HZ1 LYS 70 3HZ LYS 70 11.021 8.608 12.350 541 HZ2 LYS 70 1HZ LYS 70 10.906 7.337 13.367 542 HZ3 LYS 70 2HZ LYS 70 10.736 7.105 11.759 543 H ASP 71 H ASP 71 6.688 9.264 10.162 544 HA ASP 71 HA ASP 71 5.964 11.883 9.522 545 HB2 ASP 71 1HB ASP 71 7.807 10.482 8.537 546 HB3 ASP 71 2HB ASP 71 6.595 9.681 7.533 547 H CYS 72 H CYS 72 4.002 9.025 8.987 548 HA CYS 72 HA CYS 72 2.001 10.596 7.405 549 HB2 CYS 72 1HB CYS 72 2.269 7.617 7.809 550 HB3 CYS 72 2HB CYS 72 1.122 8.442 6.758 551 H ASN 73 H ASN 73 2.526 10.135 10.591 552 HA ASN 73 HA ASN 73 1.298 10.137 12.465 553 HB2 ASN 73 1HB ASN 73 0.858 12.337 11.363 554 HB3 ASN 73 2HB ASN 73 -0.647 11.686 10.711 555 HD21 ASN 73 2HD2 ASN 73 -1.870 13.316 11.882 556 HD22 ASN 73 1HD2 ASN 73 -2.089 13.183 13.618 557 H VAL 74 H VAL 74 1.084 7.714 11.604 558 HA VAL 74 HA VAL 74 -1.622 6.783 12.288 559 HB VAL 74 HB VAL 74 -1.598 7.157 9.827 560 HG11 VAL 74 1HG1 VAL 74 0.795 6.629 9.374 561 HG12 VAL 74 2HG1 VAL 74 0.459 4.916 9.705 562 HG13 VAL 74 3HG1 VAL 74 -0.319 5.724 8.335 563 HG21 VAL 74 3HG2 VAL 74 -2.596 5.058 9.209 564 HG22 VAL 74 1HG2 VAL 74 -1.829 4.224 10.573 565 HG23 VAL 74 2HG2 VAL 74 -3.069 5.464 10.865 566 H LYS 75 H LYS 75 -1.680 4.637 12.998 567 HA LYS 75 HA LYS 75 0.890 3.658 14.122 568 HB2 LYS 75 1HB LYS 75 -1.119 4.377 15.467 569 HB3 LYS 75 2HB LYS 75 -1.981 2.973 14.819 570 HG2 LYS 75 1HG LYS 75 -0.272 1.496 15.898 571 HG3 LYS 75 2HG LYS 75 0.530 2.955 16.544 572 HD2 LYS 75 1HD LYS 75 -1.232 3.432 18.012 573 HD3 LYS 75 2HD LYS 75 -2.435 2.594 17.045 574 HE2 LYS 75 1HE LYS 75 -1.492 0.406 17.712 575 HE3 LYS 75 2HE LYS 75 -0.300 1.225 18.718 576 HZ1 LYS 75 3HZ LYS 75 -2.229 0.522 20.015 577 HZ2 LYS 75 1HZ LYS 75 -2.142 2.156 20.031 578 HZ3 LYS 75 2HZ LYS 75 -3.244 1.397 19.086 579 H CYS 76 H CYS 76 1.741 1.685 13.583 580 HA CYS 76 HA CYS 76 1.212 0.232 11.270 581 HB2 CYS 76 1HB CYS 76 2.333 -0.775 13.920 582 HB3 CYS 76 2HB CYS 76 2.526 -1.559 12.360 583 H SER 77 H SER 77 -0.248 -0.375 14.491 584 HA SER 77 HA SER 77 -1.538 -2.858 13.697 585 HB2 SER 77 1HB SER 77 -0.888 -2.160 16.039 586 HB3 SER 77 2HB SER 77 -2.272 -1.049 16.020 587 HG SER 77 HG SER 77 -2.767 -3.119 16.960 588 H ASP 78 H ASP 78 -2.517 0.559 13.488 589 HA ASP 78 HA ASP 78 -5.318 0.007 12.917 590 HB2 ASP 78 1HB ASP 78 -3.560 2.383 13.131 591 HB3 ASP 78 2HB ASP 78 -4.699 2.490 11.804 592 H LEU 79 H LEU 79 -2.470 -0.453 11.092 593 HA LEU 79 HA LEU 79 -3.748 -0.087 8.462 594 HB2 LEU 79 1HB LEU 79 -1.096 -1.460 9.012 595 HB3 LEU 79 2HB LEU 79 -1.681 -0.723 7.527 596 HG LEU 79 HG LEU 79 -0.736 0.721 10.022 597 HD11 LEU 79 1HD1 LEU 79 1.032 -0.166 8.582 598 HD12 LEU 79 2HD1 LEU 79 0.284 0.574 7.153 599 HD13 LEU 79 3HD1 LEU 79 0.969 1.596 8.430 600 HD21 LEU 79 3HD2 LEU 79 -1.069 2.820 8.702 601 HD22 LEU 79 1HD2 LEU 79 -1.945 1.868 7.489 602 HD23 LEU 79 2HD2 LEU 79 -2.592 2.033 9.137 603 H LEU 80 H LEU 80 -3.780 -2.488 10.845 604 HA LEU 80 HA LEU 80 -4.014 -4.764 8.972 605 HB2 LEU 80 1HB LEU 80 -3.976 -4.757 12.002 606 HB3 LEU 80 2HB LEU 80 -3.801 -6.152 10.947 607 HG LEU 80 HG LEU 80 -1.806 -3.875 11.223 608 HD11 LEU 80 1HD1 LEU 80 -1.947 -5.369 13.193 609 HD12 LEU 80 2HD1 LEU 80 -1.695 -6.781 12.144 610 HD13 LEU 80 3HD1 LEU 80 -0.409 -5.575 12.345 611 HD21 LEU 80 3HD2 LEU 80 -0.277 -5.317 9.881 612 HD22 LEU 80 1HD2 LEU 80 -1.632 -6.418 9.556 613 HD23 LEU 80 2HD2 LEU 80 -1.665 -4.741 8.956 614 H THR 81 H THR 81 -6.190 -2.550 9.856 615 HA THR 81 HA THR 81 -8.377 -4.244 10.822 616 HB THR 81 HB THR 81 -9.702 -2.131 10.700 617 HG1 THR 81 1HG THR 81 -8.330 -1.234 8.961 618 HG21 THR 81 3HG2 THR 81 -8.568 -1.033 12.530 619 HG22 THR 81 1HG2 THR 81 -8.378 -2.781 12.724 620 HG23 THR 81 2HG2 THR 81 -7.022 -1.805 12.115 621 H ASP 82 H ASP 82 -10.619 -3.565 9.650 622 HA ASP 82 HA ASP 82 -10.531 -5.098 7.175 623 HB2 ASP 82 1HB ASP 82 -12.933 -5.163 7.433 624 HB3 ASP 82 2HB ASP 82 -12.153 -5.545 8.964 625 H ASP 83 H ASP 83 -10.346 -1.807 7.766 626 HA ASP 83 HA ASP 83 -11.115 -1.192 4.937 627 HB2 ASP 83 1HB ASP 83 -12.501 0.005 6.663 628 HB3 ASP 83 2HB ASP 83 -11.036 0.834 7.193 629 H ILE 84 H ILE 84 -9.518 -0.715 3.677 630 HA ILE 84 HA ILE 84 -6.762 -0.805 4.524 631 HB ILE 84 HB ILE 84 -6.226 -0.691 2.205 632 HG12 ILE 84 1HG1 ILE 84 -9.061 0.303 1.656 633 HG13 ILE 84 2HG1 ILE 84 -7.597 1.284 1.630 634 HG21 ILE 84 1HG2 ILE 84 -7.466 -2.764 3.005 635 HG22 ILE 84 2HG2 ILE 84 -8.932 -2.103 2.275 636 HG23 ILE 84 3HG2 ILE 84 -7.542 -2.505 1.264 637 HD11 ILE 84 3HD1 ILE 84 -8.242 0.780 -0.606 638 HD12 ILE 84 1HD1 ILE 84 -6.687 -0.010 -0.226 639 HD13 ILE 84 2HD1 ILE 84 -8.197 -0.963 -0.299 640 H THR 85 H THR 85 -8.938 1.823 4.435 641 HA THR 85 HA THR 85 -7.539 3.891 3.270 642 HB THR 85 HB THR 85 -9.870 3.976 3.923 643 HG1 THR 85 1HG THR 85 -9.807 6.171 4.374 644 HG21 THR 85 3HG2 THR 85 -10.577 4.657 6.122 645 HG22 THR 85 1HG2 THR 85 -9.661 3.153 6.274 646 HG23 THR 85 2HG2 THR 85 -8.901 4.703 6.714 647 H LYS 86 H LYS 86 -6.908 2.735 6.565 648 HA LYS 86 HA LYS 86 -5.299 5.000 7.323 649 HB2 LYS 86 1HB LYS 86 -5.078 2.135 8.345 650 HB3 LYS 86 2HB LYS 86 -4.418 3.577 9.091 651 HG2 LYS 86 1HG LYS 86 -6.265 3.246 10.381 652 HG3 LYS 86 2HG LYS 86 -6.877 4.435 9.233 653 HD2 LYS 86 1HD LYS 86 -8.057 2.711 8.000 654 HD3 LYS 86 2HD LYS 86 -7.219 1.421 8.866 655 HE2 LYS 86 1HE LYS 86 -8.981 3.444 10.288 656 HE3 LYS 86 2HE LYS 86 -9.663 2.014 9.493 657 HZ1 LYS 86 3HZ LYS 86 -9.241 1.464 11.760 658 HZ2 LYS 86 1HZ LYS 86 -8.145 0.647 10.846 659 HZ3 LYS 86 2HZ LYS 86 -7.691 1.972 11.712 660 H ALA 87 H ALA 87 -4.606 2.107 5.449 661 HA ALA 87 HA ALA 87 -1.688 2.641 5.327 662 HB1 ALA 87 1HB ALA 87 -2.693 0.300 5.514 663 HB2 ALA 87 2HB ALA 87 -3.334 0.520 3.868 664 HB3 ALA 87 3HB ALA 87 -1.578 0.547 4.166 665 H ALA 88 H ALA 88 -4.606 2.767 3.259 666 HA ALA 88 HA ALA 88 -3.269 3.524 0.875 667 HB1 ALA 88 1HB ALA 88 -5.584 2.512 1.179 668 HB2 ALA 88 2HB ALA 88 -6.148 4.145 1.631 669 HB3 ALA 88 3HB ALA 88 -5.474 3.834 0.024 670 H LYS 89 H LYS 89 -4.642 5.637 3.457 671 HA LYS 89 HA LYS 89 -4.094 8.099 2.074 672 HB2 LYS 89 1HB LYS 89 -4.528 9.147 4.127 673 HB3 LYS 89 2HB LYS 89 -5.605 7.734 4.030 674 HG2 LYS 89 1HG LYS 89 -3.928 6.538 5.539 675 HG3 LYS 89 2HG LYS 89 -3.148 8.100 5.789 676 HD2 LYS 89 1HD LYS 89 -6.048 7.423 6.440 677 HD3 LYS 89 2HD LYS 89 -4.717 7.531 7.605 678 HE2 LYS 89 1HE LYS 89 -4.395 9.931 7.016 679 HE3 LYS 89 2HE LYS 89 -5.738 9.829 5.870 680 HZ1 LYS 89 3HZ LYS 89 -6.464 10.732 7.991 681 HZ2 LYS 89 1HZ LYS 89 -7.209 9.303 7.734 682 HZ3 LYS 89 2HZ LYS 89 -5.968 9.402 8.799 683 H CYS 90 H CYS 90 -2.145 6.069 4.124 684 HA CYS 90 HA CYS 90 0.160 7.837 4.351 685 HB2 CYS 90 1HB CYS 90 -0.527 6.318 6.054 686 HB3 CYS 90 2HB CYS 90 -0.424 4.921 4.976 687 H ALA 91 H ALA 91 -0.790 5.167 2.184 688 HA ALA 91 HA ALA 91 1.547 5.038 0.597 689 HB1 ALA 91 1HB ALA 91 -0.400 3.470 0.540 690 HB2 ALA 91 2HB ALA 91 -1.359 4.727 -0.257 691 HB3 ALA 91 3HB ALA 91 0.062 4.058 -1.074 692 H LYS 92 H LYS 92 -1.314 7.305 0.203 693 HA LYS 92 HA LYS 92 -0.174 8.746 -1.951 694 HB2 LYS 92 1HB LYS 92 -1.792 10.101 0.210 695 HB3 LYS 92 2HB LYS 92 -1.662 10.525 -1.489 696 HG2 LYS 92 1HG LYS 92 -3.151 8.254 -0.206 697 HG3 LYS 92 2HG LYS 92 -3.839 9.605 -1.056 698 HD2 LYS 92 1HD LYS 92 -2.145 7.495 -2.490 699 HD3 LYS 92 2HD LYS 92 -3.845 7.310 -2.136 700 HE2 LYS 92 1HE LYS 92 -3.749 8.037 -4.353 701 HE3 LYS 92 2HE LYS 92 -4.405 9.357 -3.384 702 HZ1 LYS 92 3HZ LYS 92 -2.777 10.134 -5.004 703 HZ2 LYS 92 1HZ LYS 92 -2.227 10.436 -3.501 704 HZ3 LYS 92 2HZ LYS 92 -1.605 9.186 -4.378 705 H LYS 93 H LYS 93 0.352 9.276 1.555 706 HA LYS 93 HA LYS 93 2.036 11.590 1.251 707 HB2 LYS 93 1HB LYS 93 0.816 10.998 3.313 708 HB3 LYS 93 2HB LYS 93 1.787 9.540 3.488 709 HG2 LYS 93 1HG LYS 93 2.509 11.231 5.044 710 HG3 LYS 93 2HG LYS 93 3.802 10.867 3.908 711 HD2 LYS 93 1HD LYS 93 3.317 12.973 2.677 712 HD3 LYS 93 2HD LYS 93 1.964 13.302 3.791 713 HE2 LYS 93 1HE LYS 93 3.571 13.261 5.708 714 HE3 LYS 93 2HE LYS 93 4.898 12.961 4.585 715 HZ1 LYS 93 3HZ LYS 93 4.738 15.303 5.156 716 HZ2 LYS 93 1HZ LYS 93 4.436 15.122 3.561 717 HZ3 LYS 93 2HZ LYS 93 3.203 15.400 4.605 718 H ILE 94 H ILE 94 2.785 8.156 0.993 719 HA ILE 94 HA ILE 94 5.698 8.604 0.766 720 HB ILE 94 HB ILE 94 3.927 6.226 0.071 721 HG12 ILE 94 1HG1 ILE 94 5.945 6.502 2.323 722 HG13 ILE 94 2HG1 ILE 94 4.262 6.923 2.559 723 HG21 ILE 94 1HG2 ILE 94 5.921 6.200 -1.354 724 HG22 ILE 94 2HG2 ILE 94 6.963 6.547 0.041 725 HG23 ILE 94 3HG2 ILE 94 6.114 4.987 -0.092 726 HD11 ILE 94 3HD1 ILE 94 4.613 4.692 3.378 727 HD12 ILE 94 1HD1 ILE 94 3.580 4.611 1.941 728 HD13 ILE 94 2HD1 ILE 94 5.300 4.158 1.837 729 H TYR 95 H TYR 95 3.029 8.003 -1.569 730 HA TYR 95 HA TYR 95 4.493 8.271 -3.938 731 HB2 TYR 95 1HB TYR 95 2.459 7.379 -4.260 732 HB3 TYR 95 2HB TYR 95 1.653 8.424 -3.112 733 HD1 TYR 95 2HD TYR 95 1.153 10.853 -3.747 734 HD2 TYR 95 1HD TYR 95 2.122 7.760 -6.588 735 HE1 TYR 95 2HE TYR 95 0.100 12.192 -5.563 736 HE2 TYR 95 1HE TYR 95 1.090 9.097 -8.405 737 HH TYR 95 HH TYR 95 -0.005 11.048 -8.963 738 H LYS 96 H LYS 96 3.350 10.854 -1.854 739 HA LYS 96 HA LYS 96 3.851 13.148 -3.381 740 HB2 LYS 96 1HB LYS 96 3.563 12.316 -0.560 741 HB3 LYS 96 2HB LYS 96 4.725 13.613 -0.712 742 HG2 LYS 96 1HG LYS 96 2.608 14.593 -0.310 743 HG3 LYS 96 2HG LYS 96 3.061 14.950 -1.980 744 HD2 LYS 96 1HD LYS 96 1.557 13.009 -2.686 745 HD3 LYS 96 2HD LYS 96 0.992 12.934 -1.013 746 HE2 LYS 96 1HE LYS 96 0.811 15.372 -2.846 747 HE3 LYS 96 2HE LYS 96 -0.501 14.228 -2.559 748 HZ1 LYS 96 3HZ LYS 96 -0.736 16.165 -1.154 749 HZ2 LYS 96 1HZ LYS 96 -0.464 14.865 -0.207 750 HZ3 LYS 96 2HZ LYS 96 0.733 15.951 -0.482 751 H ARG 97 H ARG 97 6.256 10.879 -2.315 752 HA ARG 97 HA ARG 97 8.397 12.658 -3.422 753 HB2 ARG 97 1HB ARG 97 8.578 10.845 -0.978 754 HB3 ARG 97 2HB ARG 97 9.953 11.625 -1.747 755 HG2 ARG 97 1HG ARG 97 7.601 13.065 -0.436 756 HG3 ARG 97 2HG ARG 97 9.184 12.795 0.289 757 HD2 ARG 97 1HD ARG 97 10.264 14.151 -1.451 758 HD3 ARG 97 2HD ARG 97 8.722 14.424 -2.253 759 HE ARG 97 HE ARG 97 9.618 15.519 0.351 760 HH11 ARG 97 1HH1 ARG 97 6.973 15.423 -2.025 761 HH12 ARG 97 2HH1 ARG 97 6.263 16.884 -1.401 762 HH21 ARG 97 1HH2 ARG 97 8.627 17.382 1.090 763 HH22 ARG 97 2HH2 ARG 97 7.165 17.954 0.349 764 H HIS 98 H HIS 98 7.163 9.395 -3.009 765 HA HIS 98 HA HIS 98 8.870 8.384 -5.254 766 HB2 HIS 98 1HB HIS 98 8.345 7.128 -2.526 767 HB3 HIS 98 2HB HIS 98 9.136 6.315 -3.869 768 HD2 HIS 98 2HD HIS 98 9.852 8.502 -0.928 769 HE1 HIS 98 1HE HIS 98 13.435 8.567 -3.229 770 HE2 HIS 98 2HE HIS 98 12.397 9.175 -0.982 771 H ARG 99 H ARG 99 6.961 8.673 -6.589 772 HA ARG 99 HA ARG 99 4.369 8.051 -6.058 773 HB2 ARG 99 1HB ARG 99 3.889 7.992 -8.337 774 HB3 ARG 99 2HB ARG 99 4.937 9.326 -7.858 775 HG2 ARG 99 1HG ARG 99 6.908 8.122 -8.825 776 HG3 ARG 99 2HG ARG 99 5.818 6.795 -9.336 777 HD2 ARG 99 1HD ARG 99 4.414 8.431 -10.509 778 HD3 ARG 99 2HD ARG 99 5.525 9.727 -10.039 779 HE ARG 99 HE ARG 99 7.085 7.777 -11.350 780 HH11 ARG 99 1HH1 ARG 99 4.471 9.963 -12.305 781 HH12 ARG 99 2HH1 ARG 99 5.000 10.018 -13.961 782 HH21 ARG 99 1HH2 ARG 99 7.712 7.891 -13.499 783 HH22 ARG 99 2HH2 ARG 99 6.812 8.863 -14.623 784 H PHE 100 H PHE 100 6.683 5.734 -7.425 785 HA PHE 100 HA PHE 100 5.117 3.492 -6.236 786 HB2 PHE 100 1HB PHE 100 6.342 3.414 -9.007 787 HB3 PHE 100 2HB PHE 100 5.455 2.135 -8.185 788 HD1 PHE 100 1HD PHE 100 2.994 2.834 -7.365 789 HD2 PHE 100 2HD PHE 100 5.150 4.602 -10.653 790 HE1 PHE 100 1HE PHE 100 0.864 3.549 -8.373 791 HE2 PHE 100 2HE PHE 100 3.003 5.330 -11.663 792 HZ PHE 100 HZ PHE 100 0.854 4.798 -10.527 793 H ASP 101 H ASP 101 8.070 5.093 -6.534 794 HA ASP 101 HA ASP 101 9.934 3.023 -6.892 795 HB2 ASP 101 1HB ASP 101 10.513 5.680 -5.562 796 HB3 ASP 101 2HB ASP 101 11.549 4.736 -6.615 797 H ALA 102 H ALA 102 8.308 3.955 -3.996 798 HA ALA 102 HA ALA 102 10.379 3.134 -2.111 799 HB1 ALA 102 1HB ALA 102 8.776 4.929 -1.592 800 HB2 ALA 102 2HB ALA 102 7.422 3.783 -1.751 801 HB3 ALA 102 3HB ALA 102 8.605 3.594 -0.443 802 H TRP 103 H TRP 103 8.349 1.321 -4.074 803 HA TRP 103 HA TRP 103 8.259 -0.998 -2.174 804 HB2 TRP 103 1HB TRP 103 6.287 -0.122 -4.324 805 HB3 TRP 103 2HB TRP 103 6.157 -1.590 -3.372 806 HD1 TRP 103 HD TRP 103 5.631 -1.309 -0.741 807 HE1 TRP 103 1HE TRP 103 4.225 0.399 0.494 808 HE3 TRP 103 3HE TRP 103 5.794 2.473 -4.179 809 HZ2 TRP 103 2HZ TRP 103 3.127 3.053 -0.017 810 HZ3 TRP 103 3HZ TRP 103 4.545 4.575 -3.795 811 HH2 TRP 103 HH TRP 103 3.164 4.859 -1.746 812 H TYR 104 H TYR 104 9.288 -2.708 -2.691 813 HA TYR 104 HA TYR 104 10.890 -2.734 -5.050 814 HB2 TYR 104 1HB TYR 104 11.493 -3.609 -2.759 815 HB3 TYR 104 2HB TYR 104 10.461 -5.004 -3.079 816 HD1 TYR 104 1HD TYR 104 13.291 -3.014 -4.443 817 HD2 TYR 104 2HD TYR 104 11.353 -6.850 -4.329 818 HE1 TYR 104 1HE TYR 104 15.157 -3.990 -5.814 819 HE2 TYR 104 2HE TYR 104 13.201 -7.841 -5.687 820 HH TYR 104 HH TYR 104 15.975 -5.879 -6.849 821 H GLY 105 H GLY 105 7.872 -4.460 -4.260 822 HA2 GLY 105 1HA GLY 105 7.950 -6.389 -6.362 823 HA3 GLY 105 2HA GLY 105 6.489 -5.759 -5.557 824 H TRP 106 H TRP 106 7.020 -2.952 -6.414 825 HA TRP 106 HA TRP 106 5.834 -3.077 -9.038 826 HB2 TRP 106 1HB TRP 106 5.197 -1.336 -7.560 827 HB3 TRP 106 2HB TRP 106 6.854 -0.752 -7.410 828 HD1 TRP 106 HD TRP 106 3.880 -0.744 -9.815 829 HE1 TRP 106 1HE TRP 106 4.303 0.905 -11.733 830 HE3 TRP 106 3HE TRP 106 8.700 0.522 -8.694 831 HZ2 TRP 106 2HZ TRP 106 6.489 2.597 -12.647 832 HZ3 TRP 106 3HZ TRP 106 9.954 2.103 -10.106 833 HH2 TRP 106 HH TRP 106 8.859 3.166 -12.089 834 H LYS 107 H LYS 107 9.126 -2.124 -7.913 835 HA LYS 107 HA LYS 107 10.046 -1.784 -10.671 836 HB2 LYS 107 1HB LYS 107 12.262 -1.382 -9.658 837 HB3 LYS 107 2HB LYS 107 10.983 -0.291 -9.148 838 HG2 LYS 107 1HG LYS 107 10.735 -1.427 -7.031 839 HG3 LYS 107 2HG LYS 107 11.930 -2.660 -7.483 840 HD2 LYS 107 1HD LYS 107 12.480 0.329 -7.180 841 HD3 LYS 107 2HD LYS 107 12.785 -0.889 -5.935 842 HE2 LYS 107 1HE LYS 107 14.358 -2.071 -7.466 843 HE3 LYS 107 2HE LYS 107 14.082 -0.835 -8.699 844 HZ1 LYS 107 3HZ LYS 107 16.087 -0.372 -7.428 845 HZ2 LYS 107 1HZ LYS 107 14.997 0.815 -7.166 846 HZ3 LYS 107 2HZ LYS 107 15.258 -0.325 -6.021 847 H ASN 108 H ASN 108 9.748 -4.570 -8.691 848 HA ASN 108 HA ASN 108 11.715 -6.084 -10.297 849 HB2 ASN 108 1HB ASN 108 11.537 -6.248 -7.798 850 HB3 ASN 108 2HB ASN 108 9.974 -7.043 -8.006 851 HD21 ASN 108 2HD2 ASN 108 13.498 -7.328 -8.511 852 HD22 ASN 108 1HD2 ASN 108 13.480 -9.056 -8.800 853 H HIS 109 H HIS 109 8.150 -5.866 -10.014 854 HA HIS 109 HA HIS 109 7.903 -7.944 -12.178 855 HB2 HIS 109 1HB HIS 109 5.971 -7.266 -9.938 856 HB3 HIS 109 2HB HIS 109 5.740 -8.484 -11.187 857 HD2 HIS 109 2HD HIS 109 7.145 -8.052 -7.766 858 HE1 HIS 109 1HE HIS 109 8.571 -11.843 -9.074 859 HE2 HIS 109 2HE HIS 109 8.317 -10.303 -7.061 860 H CYS 110 H CYS 110 6.365 -4.883 -11.020 861 HA CYS 110 HA CYS 110 4.437 -4.802 -13.139 862 HB2 CYS 110 1HB CYS 110 5.477 -2.511 -11.439 863 HB3 CYS 110 2HB CYS 110 4.022 -2.502 -12.396 864 H GLN 111 H GLN 111 7.756 -4.185 -13.402 865 HA GLN 111 HA GLN 111 7.659 -2.184 -15.528 866 HB2 GLN 111 1HB GLN 111 9.910 -4.126 -14.859 867 HB3 GLN 111 2HB GLN 111 10.029 -2.616 -15.758 868 HG2 GLN 111 1HG GLN 111 9.494 -2.957 -12.783 869 HG3 GLN 111 2HG GLN 111 10.934 -2.300 -13.537 870 HE21 GLN 111 2HE2 GLN 111 8.065 -1.407 -11.984 871 HE22 GLN 111 1HE2 GLN 111 8.046 0.259 -12.546 872 H GLY 112 H GLY 112 7.248 -5.672 -15.435 873 HA2 GLY 112 1HA GLY 112 7.914 -6.081 -18.278 874 HA3 GLY 112 2HA GLY 112 7.319 -7.286 -17.113 875 H SER 113 H SER 113 4.960 -6.131 -16.250 876 HA SER 113 HA SER 113 3.206 -5.252 -18.357 877 HB2 SER 113 1HB SER 113 3.607 -7.675 -19.025 878 HB3 SER 113 2HB SER 113 2.849 -8.148 -17.497 879 HG SER 113 HG SER 113 1.370 -8.085 -19.296 880 H LEU 114 H LEU 114 0.988 -4.990 -17.597 881 HA LEU 114 HA LEU 114 0.611 -5.149 -14.644 882 HB2 LEU 114 1HB LEU 114 -0.311 -3.066 -16.671 883 HB3 LEU 114 2HB LEU 114 -0.852 -3.127 -14.999 884 HG LEU 114 HG LEU 114 2.066 -2.744 -15.811 885 HD11 LEU 114 1HD1 LEU 114 0.613 -0.907 -16.586 886 HD12 LEU 114 2HD1 LEU 114 0.006 -0.687 -14.924 887 HD13 LEU 114 3HD1 LEU 114 1.721 -0.390 -15.304 888 HD21 LEU 114 3HD2 LEU 114 2.226 -1.895 -13.432 889 HD22 LEU 114 1HD2 LEU 114 0.596 -2.527 -13.144 890 HD23 LEU 114 2HD2 LEU 114 1.921 -3.636 -13.553 891 HA PRO 115 HA PRO 115 -3.193 -7.363 -15.628 892 HB2 PRO 115 1HB PRO 115 -4.685 -6.890 -13.412 893 HB3 PRO 115 2HB PRO 115 -3.223 -7.929 -13.368 894 HG2 PRO 115 1HG PRO 115 -3.457 -5.003 -12.596 895 HG3 PRO 115 2HG PRO 115 -2.685 -6.334 -11.673 896 HD2 PRO 115 1HD PRO 115 -1.264 -4.637 -13.285 897 HD3 PRO 115 2HD PRO 115 -0.815 -6.361 -13.106 898 H ASP 116 H ASP 116 -5.184 -6.897 -16.519 899 HA ASP 116 HA ASP 116 -5.873 -4.077 -17.023 900 HB2 ASP 116 1HB ASP 116 -5.895 -5.948 -18.751 901 HB3 ASP 116 2HB ASP 116 -7.344 -6.551 -17.949 902 H ILE 117 H ILE 117 -7.875 -3.251 -16.645 903 HA ILE 117 HA ILE 117 -9.422 -4.187 -14.257 904 HB ILE 117 HB ILE 117 -9.278 -1.929 -13.291 905 HG12 ILE 117 1HG1 ILE 117 -7.176 -1.320 -15.427 906 HG13 ILE 117 2HG1 ILE 117 -8.842 -0.750 -15.494 907 HG21 ILE 117 1HG2 ILE 117 -7.698 -3.728 -12.577 908 HG22 ILE 117 2HG2 ILE 117 -6.487 -3.085 -13.705 909 HG23 ILE 117 3HG2 ILE 117 -7.054 -2.101 -12.343 910 HD11 ILE 117 3HD1 ILE 117 -7.459 0.992 -14.648 911 HD12 ILE 117 1HD1 ILE 117 -8.537 0.427 -13.350 912 HD13 ILE 117 2HD1 ILE 117 -6.818 -0.063 -13.368 913 H SER 118 H SER 118 -9.594 -3.191 -17.419 914 HA SER 118 HA SER 118 -11.677 -1.306 -17.495 915 HB2 SER 118 1HB SER 118 -12.074 -2.059 -19.772 916 HB3 SER 118 2HB SER 118 -10.338 -1.989 -19.432 917 HG SER 118 HG SER 118 -10.802 -3.929 -20.498 918 H SER 119 H SER 119 -12.035 -4.685 -16.637 919 HA SER 119 HA SER 119 -14.933 -4.775 -16.939 920 HB2 SER 119 1HB SER 119 -13.039 -6.560 -15.367 921 HB3 SER 119 2HB SER 119 -14.721 -6.917 -15.782 922 HG SER 119 HG SER 119 -13.249 -7.925 -17.239 923 H CYS 120 H CYS 120 -12.986 -3.191 -14.623 924 HA CYS 120 HA CYS 120 -14.734 -3.713 -12.304 925 HB2 CYS 120 1HB CYS 120 -12.213 -2.056 -12.544 926 HB3 CYS 120 2HB CYS 120 -12.990 -2.583 -11.056 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -8.192 -8.433 10.528 2 H2 GLY 1 2H GLY 1 -6.753 -8.896 9.877 3 H3 GLY 1 3H GLY 1 -6.880 -7.439 10.622 4 HA2 GLY 1 1HA GLY 1 -8.346 -6.600 8.942 5 HA3 GLY 1 2HA GLY 1 -6.817 -7.183 8.253 6 H LYS 2 H LYS 2 -7.711 -7.546 6.231 7 HA LYS 2 HA LYS 2 -9.008 -10.115 5.813 8 HB2 LYS 2 1HB LYS 2 -10.975 -9.313 4.708 9 HB3 LYS 2 2HB LYS 2 -10.925 -8.580 6.311 10 HG2 LYS 2 1HG LYS 2 -10.057 -6.467 5.336 11 HG3 LYS 2 2HG LYS 2 -10.095 -7.186 3.723 12 HD2 LYS 2 1HD LYS 2 -12.543 -6.794 5.487 13 HD3 LYS 2 2HD LYS 2 -12.017 -5.691 4.204 14 HE2 LYS 2 1HE LYS 2 -12.209 -7.527 2.534 15 HE3 LYS 2 2HE LYS 2 -12.807 -8.609 3.801 16 HZ1 LYS 2 3HZ LYS 2 -14.630 -7.619 2.556 17 HZ2 LYS 2 1HZ LYS 2 -14.694 -7.104 4.105 18 HZ3 LYS 2 2HZ LYS 2 -14.142 -6.106 2.931 19 H THR 3 H THR 3 -9.282 -10.605 3.487 20 HA THR 3 HA THR 3 -7.185 -9.318 1.795 21 HB THR 3 HB THR 3 -8.377 -12.052 1.303 22 HG1 THR 3 1HG THR 3 -6.270 -11.282 3.038 23 HG21 THR 3 3HG2 THR 3 -6.199 -12.392 0.152 24 HG22 THR 3 1HG2 THR 3 -7.100 -11.039 -0.548 25 HG23 THR 3 2HG2 THR 3 -5.735 -10.721 0.539 26 H PHE 4 H PHE 4 -7.727 -8.319 0.017 27 HA PHE 4 HA PHE 4 -10.570 -8.141 -0.823 28 HB2 PHE 4 1HB PHE 4 -8.099 -6.451 -1.368 29 HB3 PHE 4 2HB PHE 4 -9.604 -6.189 -2.203 30 HD1 PHE 4 1HD PHE 4 -8.165 -6.345 1.286 31 HD2 PHE 4 2HD PHE 4 -11.222 -4.706 -1.294 32 HE1 PHE 4 1HE PHE 4 -9.026 -4.975 3.158 33 HE2 PHE 4 2HE PHE 4 -12.083 -3.365 0.592 34 HZ PHE 4 HZ PHE 4 -11.004 -3.506 2.828 35 H THR 5 H THR 5 -11.070 -8.129 -3.073 36 HA THR 5 HA THR 5 -9.378 -9.874 -4.829 37 HB THR 5 HB THR 5 -11.658 -10.721 -4.430 38 HG1 THR 5 1HG THR 5 -11.947 -11.098 -6.626 39 HG21 THR 5 3HG2 THR 5 -13.590 -9.673 -5.446 40 HG22 THR 5 1HG2 THR 5 -12.890 -8.514 -4.308 41 HG23 THR 5 2HG2 THR 5 -12.619 -8.324 -6.058 42 H ARG 6 H ARG 6 -9.217 -9.108 -7.129 43 HA ARG 6 HA ARG 6 -8.129 -6.501 -7.150 44 HB2 ARG 6 1HB ARG 6 -7.576 -8.349 -8.729 45 HB3 ARG 6 2HB ARG 6 -9.087 -8.040 -9.594 46 HG2 ARG 6 1HG ARG 6 -8.343 -5.715 -10.072 47 HG3 ARG 6 2HG ARG 6 -6.856 -5.986 -9.151 48 HD2 ARG 6 1HD ARG 6 -7.692 -7.480 -11.669 49 HD3 ARG 6 2HD ARG 6 -6.535 -6.144 -11.603 50 HE ARG 6 HE ARG 6 -5.310 -7.732 -9.879 51 HH11 ARG 6 1HH1 ARG 6 -6.929 -8.936 -12.802 52 HH12 ARG 6 2HH1 ARG 6 -5.841 -10.286 -12.931 53 HH21 ARG 6 1HH2 ARG 6 -3.862 -9.304 -10.227 54 HH22 ARG 6 2HH2 ARG 6 -4.129 -10.521 -11.460 55 H CYS 7 H CYS 7 -11.340 -7.538 -8.402 56 HA CYS 7 HA CYS 7 -12.205 -4.962 -9.282 57 HB2 CYS 7 1HB CYS 7 -13.882 -7.270 -8.231 58 HB3 CYS 7 2HB CYS 7 -14.459 -5.921 -9.206 59 H GLY 8 H GLY 8 -12.272 -6.380 -6.040 60 HA2 GLY 8 1HA GLY 8 -13.869 -4.258 -4.816 61 HA3 GLY 8 2HA GLY 8 -12.898 -5.501 -3.981 62 H LEU 9 H LEU 9 -10.352 -5.039 -4.964 63 HA LEU 9 HA LEU 9 -9.426 -2.781 -3.519 64 HB2 LEU 9 1HB LEU 9 -8.164 -4.880 -3.984 65 HB3 LEU 9 2HB LEU 9 -8.086 -4.459 -5.696 66 HG LEU 9 HG LEU 9 -6.796 -2.422 -5.135 67 HD11 LEU 9 1HD1 LEU 9 -7.562 -1.916 -2.892 68 HD12 LEU 9 2HD1 LEU 9 -6.981 -3.481 -2.291 69 HD13 LEU 9 3HD1 LEU 9 -5.826 -2.226 -2.816 70 HD21 LEU 9 3HD2 LEU 9 -4.711 -3.530 -4.655 71 HD22 LEU 9 1HD2 LEU 9 -5.555 -4.908 -3.913 72 HD23 LEU 9 2HD2 LEU 9 -5.683 -4.609 -5.663 73 H VAL 10 H VAL 10 -9.749 -3.185 -7.097 74 HA VAL 10 HA VAL 10 -8.907 -0.615 -7.895 75 HB VAL 10 HB VAL 10 -11.091 -2.410 -9.019 76 HG11 VAL 10 1HG1 VAL 10 -11.776 -0.270 -9.820 77 HG12 VAL 10 2HG1 VAL 10 -10.113 0.252 -10.103 78 HG13 VAL 10 3HG1 VAL 10 -10.847 -0.981 -11.139 79 HG21 VAL 10 3HG2 VAL 10 -9.467 -2.867 -10.789 80 HG22 VAL 10 1HG2 VAL 10 -8.314 -1.720 -10.075 81 HG23 VAL 10 2HG2 VAL 10 -8.733 -3.214 -9.223 82 H HIS 11 H HIS 11 -12.142 -1.600 -6.747 83 HA HIS 11 HA HIS 11 -13.356 1.023 -6.941 84 HB2 HIS 11 1HB HIS 11 -14.109 -1.500 -5.425 85 HB3 HIS 11 2HB HIS 11 -15.075 -0.041 -5.412 86 HD2 HIS 11 2HD HIS 11 -13.751 -0.428 -8.887 87 HE1 HIS 11 1HE HIS 11 -17.562 -2.325 -8.917 88 HE2 HIS 11 2HE HIS 11 -15.695 -1.420 -10.377 89 H GLU 12 H GLU 12 -11.916 -0.739 -4.173 90 HA GLU 12 HA GLU 12 -12.513 1.174 -2.164 91 HB2 GLU 12 1HB GLU 12 -11.517 -1.321 -2.157 92 HB3 GLU 12 2HB GLU 12 -9.990 -0.479 -2.065 93 HG2 GLU 12 1HG GLU 12 -10.791 -1.117 0.135 94 HG3 GLU 12 2HG GLU 12 -10.756 0.649 -0.007 95 H LEU 13 H LEU 13 -9.684 0.909 -4.333 96 HA LEU 13 HA LEU 13 -8.330 3.242 -3.235 97 HB2 LEU 13 1HB LEU 13 -8.039 1.775 -5.867 98 HB3 LEU 13 2HB LEU 13 -6.876 2.935 -5.234 99 HG LEU 13 HG LEU 13 -7.585 0.324 -3.890 100 HD11 LEU 13 1HD1 LEU 13 -6.453 -0.028 -6.024 101 HD12 LEU 13 2HD1 LEU 13 -5.185 1.138 -5.565 102 HD13 LEU 13 3HD1 LEU 13 -5.344 -0.401 -4.686 103 HD21 LEU 13 3HD2 LEU 13 -5.614 0.698 -2.510 104 HD22 LEU 13 1HD2 LEU 13 -5.354 2.289 -3.281 105 HD23 LEU 13 2HD2 LEU 13 -6.788 1.995 -2.272 106 H ARG 14 H ARG 14 -10.416 2.753 -6.102 107 HA ARG 14 HA ARG 14 -10.368 5.435 -7.092 108 HB2 ARG 14 1HB ARG 14 -12.517 3.299 -7.114 109 HB3 ARG 14 2HB ARG 14 -12.814 4.899 -7.791 110 HG2 ARG 14 1HG ARG 14 -11.100 4.665 -9.443 111 HG3 ARG 14 2HG ARG 14 -10.490 3.175 -8.702 112 HD2 ARG 14 1HD ARG 14 -12.567 2.011 -9.167 113 HD3 ARG 14 2HD ARG 14 -13.293 3.492 -9.840 114 HE ARG 14 HE ARG 14 -10.933 2.967 -11.284 115 HH11 ARG 14 1HH1 ARG 14 -14.135 1.498 -10.870 116 HH12 ARG 14 2HH1 ARG 14 -14.004 0.592 -12.364 117 HH21 ARG 14 1HH2 ARG 14 -10.918 1.791 -13.271 118 HH22 ARG 14 2HH2 ARG 14 -12.285 0.776 -13.655 119 H LYS 15 H LYS 15 -12.389 4.022 -4.490 120 HA LYS 15 HA LYS 15 -13.817 6.384 -3.727 121 HB2 LYS 15 1HB LYS 15 -14.605 4.161 -3.267 122 HB3 LYS 15 2HB LYS 15 -13.078 3.702 -2.527 123 HG2 LYS 15 1HG LYS 15 -13.539 5.285 -0.654 124 HG3 LYS 15 2HG LYS 15 -15.162 5.547 -1.336 125 HD2 LYS 15 1HD LYS 15 -15.689 3.166 -1.075 126 HD3 LYS 15 2HD LYS 15 -13.999 2.803 -0.678 127 HE2 LYS 15 1HE LYS 15 -14.234 4.294 1.355 128 HE3 LYS 15 2HE LYS 15 -15.975 4.347 1.045 129 HZ1 LYS 15 3HZ LYS 15 -15.273 2.552 2.611 130 HZ2 LYS 15 1HZ LYS 15 -16.040 1.948 1.294 131 HZ3 LYS 15 2HZ LYS 15 -14.412 1.836 1.406 132 H HIS 16 H HIS 16 -10.721 4.968 -2.574 133 HA HIS 16 HA HIS 16 -10.351 7.023 -0.563 134 HB2 HIS 16 1HB HIS 16 -8.609 4.724 -1.530 135 HB3 HIS 16 2HB HIS 16 -8.195 5.787 -0.187 136 HD2 HIS 16 2HD HIS 16 -8.280 3.092 0.831 137 HE1 HIS 16 1HE HIS 16 -12.354 3.448 1.918 138 HE2 HIS 16 2HE HIS 16 -10.263 2.124 2.306 139 H GLY 17 H GLY 17 -9.812 7.295 -3.840 140 HA2 GLY 17 1HA GLY 17 -9.196 9.382 -4.771 141 HA3 GLY 17 2HA GLY 17 -8.169 9.741 -3.366 142 H PHE 18 H PHE 18 -8.136 6.803 -5.422 143 HA PHE 18 HA PHE 18 -5.367 7.449 -6.341 144 HB2 PHE 18 1HB PHE 18 -6.935 4.882 -6.168 145 HB3 PHE 18 2HB PHE 18 -5.388 5.016 -6.977 146 HD1 PHE 18 2HD PHE 18 -6.900 5.825 -3.574 147 HD2 PHE 18 1HD PHE 18 -3.500 4.388 -5.789 148 HE1 PHE 18 2HE PHE 18 -5.692 5.488 -1.482 149 HE2 PHE 18 1HE PHE 18 -2.301 3.960 -3.661 150 HZ PHE 18 HZ PHE 18 -3.389 4.499 -1.497 151 H GLU 19 H GLU 19 -4.931 7.614 -8.531 152 HA GLU 19 HA GLU 19 -7.158 8.456 -10.173 153 HB2 GLU 19 1HB GLU 19 -4.237 8.120 -10.933 154 HB3 GLU 19 2HB GLU 19 -5.465 9.016 -11.829 155 HG2 GLU 19 1HG GLU 19 -4.373 9.728 -9.081 156 HG3 GLU 19 2HG GLU 19 -3.973 10.504 -10.607 157 H GLU 20 H GLU 20 -8.122 7.490 -11.907 158 HA GLU 20 HA GLU 20 -8.085 4.692 -12.146 159 HB2 GLU 20 1HB GLU 20 -9.576 4.959 -14.022 160 HB3 GLU 20 2HB GLU 20 -10.001 6.070 -12.722 161 HG2 GLU 20 1HG GLU 20 -8.858 7.927 -13.968 162 HG3 GLU 20 2HG GLU 20 -8.499 6.801 -15.280 163 H ASN 21 H ASN 21 -6.041 7.011 -13.862 164 HA ASN 21 HA ASN 21 -5.135 5.031 -15.820 165 HB2 ASN 21 1HB ASN 21 -3.794 6.738 -16.718 166 HB3 ASN 21 2HB ASN 21 -5.345 7.474 -16.343 167 HD21 ASN 21 2HD2 ASN 21 -2.400 8.509 -16.561 168 HD22 ASN 21 1HD2 ASN 21 -2.226 9.449 -15.090 169 H LEU 22 H LEU 22 -4.283 5.811 -12.564 170 HA LEU 22 HA LEU 22 -1.646 4.401 -12.778 171 HB2 LEU 22 1HB LEU 22 -2.892 5.914 -10.454 172 HB3 LEU 22 2HB LEU 22 -1.278 5.211 -10.501 173 HG LEU 22 HG LEU 22 -2.278 7.575 -12.118 174 HD11 LEU 22 1HD1 LEU 22 -1.833 8.026 -9.732 175 HD12 LEU 22 2HD1 LEU 22 -0.195 7.358 -9.906 176 HD13 LEU 22 3HD1 LEU 22 -0.652 8.841 -10.771 177 HD21 LEU 22 3HD2 LEU 22 0.063 7.832 -12.911 178 HD22 LEU 22 1HD2 LEU 22 0.478 6.272 -12.176 179 HD23 LEU 22 2HD2 LEU 22 -0.680 6.352 -13.523 180 H MET 23 H MET 23 -4.924 3.862 -11.877 181 HA MET 23 HA MET 23 -4.860 2.160 -9.763 182 HB2 MET 23 1HB MET 23 -6.803 3.074 -11.160 183 HB3 MET 23 2HB MET 23 -6.611 1.691 -12.202 184 HG2 MET 23 1HG MET 23 -8.400 1.344 -10.531 185 HG3 MET 23 2HG MET 23 -7.109 0.172 -10.297 186 HE1 MET 23 3HE MET 23 -8.078 3.846 -7.717 187 HE2 MET 23 1HE MET 23 -6.825 4.053 -8.962 188 HE3 MET 23 2HE MET 23 -8.470 3.581 -9.422 189 H ARG 24 H ARG 24 -4.295 1.041 -13.146 190 HA ARG 24 HA ARG 24 -3.869 -1.691 -12.636 191 HB2 ARG 24 1HB ARG 24 -2.405 0.057 -14.668 192 HB3 ARG 24 2HB ARG 24 -2.513 -1.707 -14.681 193 HG2 ARG 24 1HG ARG 24 -5.015 -1.500 -14.873 194 HG3 ARG 24 2HG ARG 24 -4.811 0.256 -15.020 195 HD2 ARG 24 1HD ARG 24 -5.041 -0.558 -17.227 196 HD3 ARG 24 2HD ARG 24 -3.326 -0.156 -17.023 197 HE ARG 24 HE ARG 24 -3.861 -2.923 -16.365 198 HH11 ARG 24 1HH1 ARG 24 -3.530 -0.862 -19.226 199 HH12 ARG 24 2HH1 ARG 24 -3.082 -2.198 -20.243 200 HH21 ARG 24 1HH2 ARG 24 -3.228 -4.584 -17.715 201 HH22 ARG 24 2HH2 ARG 24 -2.922 -4.277 -19.396 202 H ASN 25 H ASN 25 -1.422 0.955 -12.525 203 HA ASN 25 HA ASN 25 0.811 -0.680 -11.774 204 HB2 ASN 25 1HB ASN 25 0.271 2.278 -11.203 205 HB3 ASN 25 2HB ASN 25 1.775 1.442 -10.894 206 HD21 ASN 25 2HD2 ASN 25 2.953 2.851 -12.258 207 HD22 ASN 25 1HD2 ASN 25 2.810 2.728 -14.005 208 H TRP 26 H TRP 26 -1.558 1.193 -9.806 209 HA TRP 26 HA TRP 26 -0.396 0.573 -7.286 210 HB2 TRP 26 1HB TRP 26 -3.124 1.551 -8.170 211 HB3 TRP 26 2HB TRP 26 -2.773 1.207 -6.485 212 HD1 TRP 26 HD TRP 26 -2.669 4.004 -8.802 213 HE1 TRP 26 1HE TRP 26 -1.414 5.985 -7.781 214 HE3 TRP 26 3HE TRP 26 -0.228 1.548 -5.031 215 HZ2 TRP 26 2HZ TRP 26 0.224 6.493 -5.432 216 HZ3 TRP 26 3HZ TRP 26 1.158 2.801 -3.409 217 HH2 TRP 26 HH TRP 26 1.370 5.272 -3.580 218 H VAL 27 H VAL 27 -3.236 -1.037 -8.896 219 HA VAL 27 HA VAL 27 -3.483 -2.907 -6.727 220 HB VAL 27 HB VAL 27 -4.921 -4.275 -7.998 221 HG11 VAL 27 1HG1 VAL 27 -5.716 -2.056 -7.163 222 HG12 VAL 27 2HG1 VAL 27 -5.518 -1.415 -8.805 223 HG13 VAL 27 3HG1 VAL 27 -6.656 -2.737 -8.498 224 HG21 VAL 27 3HG2 VAL 27 -5.441 -3.890 -10.397 225 HG22 VAL 27 1HG2 VAL 27 -4.050 -2.790 -10.498 226 HG23 VAL 27 2HG2 VAL 27 -3.810 -4.511 -10.119 227 H CYS 28 H CYS 28 -1.489 -3.054 -9.693 228 HA CYS 28 HA CYS 28 -0.668 -5.789 -9.259 229 HB2 CYS 28 1HB CYS 28 -0.678 -4.448 -11.380 230 HB3 CYS 28 2HB CYS 28 0.774 -3.629 -10.832 231 H LEU 29 H LEU 29 0.855 -2.655 -8.404 232 HA LEU 29 HA LEU 29 3.125 -3.573 -6.985 233 HB2 LEU 29 1HB LEU 29 2.690 -1.286 -7.650 234 HB3 LEU 29 2HB LEU 29 1.275 -1.168 -6.631 235 HG LEU 29 HG LEU 29 4.110 -1.461 -5.564 236 HD11 LEU 29 1HD1 LEU 29 3.768 0.624 -6.889 237 HD12 LEU 29 2HD1 LEU 29 2.336 1.008 -5.914 238 HD13 LEU 29 3HD1 LEU 29 3.945 0.978 -5.172 239 HD21 LEU 29 3HD2 LEU 29 3.025 -0.426 -3.486 240 HD22 LEU 29 1HD2 LEU 29 1.451 -0.773 -4.215 241 HD23 LEU 29 2HD2 LEU 29 2.573 -2.091 -3.793 242 H VAL 30 H VAL 30 -0.157 -2.868 -5.694 243 HA VAL 30 HA VAL 30 0.322 -3.833 -3.070 244 HB VAL 30 HB VAL 30 -2.199 -3.521 -4.717 245 HG11 VAL 30 1HG1 VAL 30 -2.763 -5.306 -3.165 246 HG12 VAL 30 2HG1 VAL 30 -2.034 -4.404 -1.821 247 HG13 VAL 30 3HG1 VAL 30 -3.505 -3.808 -2.624 248 HG21 VAL 30 3HG2 VAL 30 -2.592 -1.616 -3.221 249 HG22 VAL 30 1HG2 VAL 30 -1.155 -2.030 -2.262 250 HG23 VAL 30 2HG2 VAL 30 -0.978 -1.465 -3.930 251 H GLU 31 H GLU 31 -0.922 -5.646 -5.939 252 HA GLU 31 HA GLU 31 -1.267 -8.110 -4.559 253 HB2 GLU 31 1HB GLU 31 -0.835 -7.379 -7.475 254 HB3 GLU 31 2HB GLU 31 -0.942 -9.069 -6.974 255 HG2 GLU 31 1HG GLU 31 -3.136 -8.805 -6.092 256 HG3 GLU 31 2HG GLU 31 -3.099 -7.049 -6.265 257 H HIS 32 H HIS 32 1.683 -6.705 -5.976 258 HA HIS 32 HA HIS 32 3.226 -9.146 -5.476 259 HB2 HIS 32 1HB HIS 32 3.839 -6.389 -6.483 260 HB3 HIS 32 2HB HIS 32 5.119 -7.564 -6.138 261 HD2 HIS 32 2HD HIS 32 3.449 -6.380 -9.003 262 HE1 HIS 32 1HE HIS 32 3.766 -10.526 -9.896 263 HE2 HIS 32 2HE HIS 32 3.328 -8.217 -10.889 264 H GLU 33 H GLU 33 2.512 -6.246 -3.629 265 HA GLU 33 HA GLU 33 4.701 -6.736 -1.714 266 HB2 GLU 33 1HB GLU 33 2.562 -4.602 -1.918 267 HB3 GLU 33 2HB GLU 33 3.691 -4.695 -0.576 268 HG2 GLU 33 1HG GLU 33 4.560 -4.426 -3.474 269 HG3 GLU 33 2HG GLU 33 4.323 -3.081 -2.370 270 H SER 34 H SER 34 1.068 -6.569 -1.354 271 HA SER 34 HA SER 34 1.341 -8.246 1.122 272 HB2 SER 34 1HB SER 34 -0.923 -7.460 1.655 273 HB3 SER 34 2HB SER 34 0.185 -6.123 1.545 274 HG SER 34 HG SER 34 -0.815 -5.392 -0.184 275 H SER 35 H SER 35 0.212 -8.420 -2.111 276 HA SER 35 HA SER 35 -1.133 -9.814 -3.279 277 HB2 SER 35 1HB SER 35 -1.359 -11.672 -0.902 278 HB3 SER 35 2HB SER 35 -1.756 -12.000 -2.588 279 HG SER 35 HG SER 35 0.854 -11.366 -1.612 280 H ARG 36 H ARG 36 -2.126 -7.568 -1.608 281 HA ARG 36 HA ARG 36 -4.043 -6.473 -1.388 282 HB2 ARG 36 1HB ARG 36 -5.717 -8.839 -2.252 283 HB3 ARG 36 2HB ARG 36 -6.098 -7.123 -2.320 284 HG2 ARG 36 1HG ARG 36 -4.233 -6.874 -4.039 285 HG3 ARG 36 2HG ARG 36 -4.123 -8.625 -4.076 286 HD2 ARG 36 1HD ARG 36 -6.692 -7.105 -4.665 287 HD3 ARG 36 2HD ARG 36 -5.557 -7.639 -5.896 288 HE ARG 36 HE ARG 36 -7.025 -9.443 -4.005 289 HH11 ARG 36 1HH1 ARG 36 -5.636 -9.056 -7.286 290 HH12 ARG 36 2HH1 ARG 36 -6.066 -10.692 -7.696 291 HH21 ARG 36 1HH2 ARG 36 -7.469 -11.498 -4.632 292 HH22 ARG 36 2HH2 ARG 36 -7.119 -12.030 -6.247 293 H ASP 37 H ASP 37 -2.855 -7.939 0.774 294 HA ASP 37 HA ASP 37 -5.212 -8.690 2.481 295 HB2 ASP 37 1HB ASP 37 -3.746 -10.606 1.888 296 HB3 ASP 37 2HB ASP 37 -2.368 -9.750 2.564 297 H THR 38 H THR 38 -5.639 -7.183 4.013 298 HA THR 38 HA THR 38 -3.656 -5.197 4.766 299 HB THR 38 HB THR 38 -5.206 -4.455 6.505 300 HG1 THR 38 1HG THR 38 -7.143 -5.379 6.740 301 HG21 THR 38 3HG2 THR 38 -7.055 -3.728 5.082 302 HG22 THR 38 1HG2 THR 38 -5.505 -3.570 4.245 303 HG23 THR 38 2HG2 THR 38 -6.606 -4.919 3.847 304 H SER 39 H SER 39 -4.522 -8.347 6.044 305 HA SER 39 HA SER 39 -3.428 -7.977 8.689 306 HB2 SER 39 1HB SER 39 -4.044 -10.495 7.102 307 HB3 SER 39 2HB SER 39 -3.711 -10.426 8.835 308 HG SER 39 HG SER 39 -5.980 -10.482 8.201 309 H LYS 40 H LYS 40 -1.708 -8.087 5.825 310 HA LYS 40 HA LYS 40 0.233 -10.090 6.418 311 HB2 LYS 40 1HB LYS 40 -0.506 -9.185 4.146 312 HB3 LYS 40 2HB LYS 40 0.448 -7.758 4.477 313 HG2 LYS 40 1HG LYS 40 1.784 -9.190 3.107 314 HG3 LYS 40 2HG LYS 40 2.503 -9.233 4.695 315 HD2 LYS 40 1HD LYS 40 2.481 -11.452 3.683 316 HD3 LYS 40 2HD LYS 40 1.447 -11.457 5.113 317 HE2 LYS 40 1HE LYS 40 -0.565 -11.202 3.655 318 HE3 LYS 40 2HE LYS 40 0.474 -11.158 2.227 319 HZ1 LYS 40 3HZ LYS 40 -0.444 -13.362 2.589 320 HZ2 LYS 40 1HZ LYS 40 1.180 -13.429 2.762 321 HZ3 LYS 40 2HZ LYS 40 0.210 -13.462 4.082 322 H THR 41 H THR 41 2.318 -10.018 7.055 323 HA THR 41 HA THR 41 3.722 -7.652 8.030 324 HB THR 41 HB THR 41 4.149 -8.825 10.274 325 HG1 THR 41 1HG THR 41 2.496 -10.231 10.950 326 HG21 THR 41 3HG2 THR 41 2.203 -7.955 11.437 327 HG22 THR 41 1HG2 THR 41 2.809 -6.797 10.265 328 HG23 THR 41 2HG2 THR 41 1.339 -7.737 9.900 329 H ASN 42 H ASN 42 5.847 -7.946 8.382 330 HA ASN 42 HA ASN 42 7.179 -10.550 8.106 331 HB2 ASN 42 1HB ASN 42 7.401 -8.318 6.030 332 HB3 ASN 42 2HB ASN 42 8.642 -9.487 6.243 333 HD21 ASN 42 2HD2 ASN 42 5.570 -8.894 4.832 334 HD22 ASN 42 1HD2 ASN 42 5.392 -10.471 4.047 335 H THR 43 H THR 43 8.831 -10.503 9.561 336 HA THR 43 HA THR 43 9.817 -7.942 10.663 337 HB THR 43 HB THR 43 10.509 -10.781 11.492 338 HG1 THR 43 1HG THR 43 8.864 -10.510 12.981 339 HG21 THR 43 3HG2 THR 43 11.008 -9.663 13.678 340 HG22 THR 43 1HG2 THR 43 12.078 -9.095 12.392 341 HG23 THR 43 2HG2 THR 43 10.718 -8.080 12.922 342 H ASN 44 H ASN 44 11.804 -7.138 10.456 343 HA ASN 44 HA ASN 44 13.525 -8.283 8.307 344 HB2 ASN 44 1HB ASN 44 13.382 -5.460 9.421 345 HB3 ASN 44 2HB ASN 44 14.269 -5.975 7.987 346 HD21 ASN 44 2HD2 ASN 44 11.652 -4.313 8.827 347 HD22 ASN 44 1HD2 ASN 44 10.556 -4.714 7.496 348 H ARG 45 H ARG 45 15.839 -7.904 8.435 349 HA ARG 45 HA ARG 45 17.055 -8.888 10.833 350 HB2 ARG 45 1HB ARG 45 18.372 -7.507 8.455 351 HB3 ARG 45 2HB ARG 45 19.189 -8.478 9.687 352 HG2 ARG 45 1HG ARG 45 17.781 -10.456 9.001 353 HG3 ARG 45 2HG ARG 45 17.085 -9.458 7.715 354 HD2 ARG 45 1HD ARG 45 18.797 -10.800 6.727 355 HD3 ARG 45 2HD ARG 45 19.373 -9.125 6.765 356 HE ARG 45 HE ARG 45 20.221 -10.579 9.113 357 HH11 ARG 45 1HH2 ARG 45 21.028 -10.291 5.681 358 HH12 ARG 45 2HH2 ARG 45 22.674 -10.792 5.933 359 HH21 ARG 45 1HH1 ARG 45 22.358 -11.204 9.371 360 HH22 ARG 45 2HH1 ARG 45 23.411 -11.306 7.993 361 H ASN 46 H ASN 46 16.443 -5.642 9.756 362 HA ASN 46 HA ASN 46 18.155 -4.231 11.606 363 HB2 ASN 46 1HB ASN 46 17.319 -3.319 9.469 364 HB3 ASN 46 2HB ASN 46 15.660 -3.389 10.066 365 HD21 ASN 46 2HD2 ASN 46 18.869 -1.853 10.709 366 HD22 ASN 46 1HD2 ASN 46 18.179 -0.402 11.410 367 H GLY 47 H GLY 47 15.224 -5.965 12.168 368 HA2 GLY 47 1HA GLY 47 14.148 -6.304 14.212 369 HA3 GLY 47 2HA GLY 47 14.865 -4.819 14.880 370 H SER 48 H SER 48 13.650 -3.966 11.904 371 HA SER 48 HA SER 48 11.093 -2.901 12.928 372 HB2 SER 48 1HB SER 48 11.005 -1.788 10.770 373 HB3 SER 48 2HB SER 48 12.576 -1.514 11.530 374 HG SER 48 HG SER 48 13.226 -2.144 9.583 375 H LYS 49 H LYS 49 9.194 -3.134 11.348 376 HA LYS 49 HA LYS 49 9.023 -5.769 10.014 377 HB2 LYS 49 1HB LYS 49 8.296 -5.870 12.484 378 HB3 LYS 49 2HB LYS 49 6.918 -4.874 12.007 379 HG2 LYS 49 1HG LYS 49 6.304 -6.710 10.348 380 HG3 LYS 49 2HG LYS 49 7.564 -7.684 11.106 381 HD2 LYS 49 1HD LYS 49 5.081 -6.571 12.455 382 HD3 LYS 49 2HD LYS 49 5.384 -8.257 12.003 383 HE2 LYS 49 1HE LYS 49 7.331 -8.328 13.550 384 HE3 LYS 49 2HE LYS 49 6.984 -6.662 14.034 385 HZ1 LYS 49 3HZ LYS 49 6.034 -8.246 15.596 386 HZ2 LYS 49 1HZ LYS 49 4.834 -7.406 14.872 387 HZ3 LYS 49 2HZ LYS 49 5.144 -8.953 14.424 388 H ASP 50 H ASP 50 7.341 -5.934 8.494 389 HA ASP 50 HA ASP 50 6.276 -3.373 7.452 390 HB2 ASP 50 1HB ASP 50 6.288 -4.351 5.445 391 HB3 ASP 50 2HB ASP 50 7.132 -5.714 6.155 392 H TYR 51 H TYR 51 4.146 -2.859 7.278 393 HA TYR 51 HA TYR 51 2.079 -4.665 8.424 394 HB2 TYR 51 1HB TYR 51 2.439 -1.732 9.143 395 HB3 TYR 51 2HB TYR 51 1.130 -2.777 9.684 396 HD1 TYR 51 2HD TYR 51 4.749 -2.030 9.957 397 HD2 TYR 51 1HD TYR 51 1.454 -4.288 11.559 398 HE1 TYR 51 2HE TYR 51 6.122 -2.605 11.905 399 HE2 TYR 51 1HE TYR 51 2.804 -4.822 13.586 400 HH TYR 51 HH TYR 51 6.163 -3.625 14.004 401 H GLY 52 H GLY 52 0.183 -4.640 7.376 402 HA2 GLY 52 1HA GLY 52 -1.648 -3.812 6.283 403 HA3 GLY 52 2HA GLY 52 -0.851 -2.243 6.089 404 H LEU 53 H LEU 53 -2.176 -2.462 4.113 405 HA LEU 53 HA LEU 53 -1.627 -4.474 2.204 406 HB2 LEU 53 1HB LEU 53 -3.644 -2.620 2.619 407 HB3 LEU 53 2HB LEU 53 -2.778 -1.830 1.315 408 HG LEU 53 HG LEU 53 -2.910 -4.283 0.209 409 HD11 LEU 53 1HD1 LEU 53 -3.943 -5.264 2.216 410 HD12 LEU 53 2HD1 LEU 53 -5.341 -4.181 2.027 411 HD13 LEU 53 3HD1 LEU 53 -5.010 -5.396 0.797 412 HD21 LEU 53 3HD2 LEU 53 -5.004 -3.690 -0.863 413 HD22 LEU 53 1HD2 LEU 53 -5.274 -2.397 0.343 414 HD23 LEU 53 2HD2 LEU 53 -3.906 -2.289 -0.795 415 H PHE 54 H PHE 54 0.057 -1.566 2.720 416 HA PHE 54 HA PHE 54 1.488 -1.746 0.100 417 HB2 PHE 54 1HB PHE 54 1.105 0.626 1.965 418 HB3 PHE 54 2HB PHE 54 1.985 0.654 0.450 419 HD1 PHE 54 2HD PHE 54 -1.391 0.369 1.954 420 HD2 PHE 54 1HD PHE 54 0.859 0.832 -1.688 421 HE1 PHE 54 2HE PHE 54 -3.467 0.980 0.764 422 HE2 PHE 54 1HE PHE 54 -1.219 1.492 -2.872 423 HZ PHE 54 HZ PHE 54 -3.387 1.558 -1.662 424 H GLN 55 H GLN 55 1.915 -3.104 2.844 425 HA GLN 55 HA GLN 55 3.535 -3.743 4.198 426 HB2 GLN 55 1HB GLN 55 4.772 -3.515 1.437 427 HB3 GLN 55 2HB GLN 55 5.862 -3.962 2.753 428 HG2 GLN 55 1HG GLN 55 4.803 -5.839 1.377 429 HG3 GLN 55 2HG GLN 55 4.836 -6.003 3.120 430 HE21 GLN 55 2HE2 GLN 55 2.916 -6.314 4.161 431 HE22 GLN 55 1HE2 GLN 55 1.351 -5.977 3.464 432 H ILE 56 H ILE 56 3.067 -1.422 5.100 433 HA ILE 56 HA ILE 56 5.200 0.537 4.731 434 HB ILE 56 HB ILE 56 2.850 0.767 6.655 435 HG12 ILE 56 1HG1 ILE 56 2.999 1.295 3.640 436 HG13 ILE 56 2HG1 ILE 56 1.893 0.159 4.445 437 HG21 ILE 56 1HG2 ILE 56 4.722 2.394 6.775 438 HG22 ILE 56 2HG2 ILE 56 4.408 2.854 5.087 439 HG23 ILE 56 3HG2 ILE 56 3.183 3.127 6.354 440 HD11 ILE 56 3HD1 ILE 56 0.545 1.965 3.841 441 HD12 ILE 56 1HD1 ILE 56 0.864 2.251 5.566 442 HD13 ILE 56 2HD1 ILE 56 1.762 3.150 4.312 443 H ASN 57 H ASN 57 6.810 1.069 6.128 444 HA ASN 57 HA ASN 57 7.299 -0.891 8.279 445 HB2 ASN 57 1HB ASN 57 8.838 -0.606 6.345 446 HB3 ASN 57 2HB ASN 57 9.200 1.028 6.923 447 HD21 ASN 57 2HD2 ASN 57 10.098 -2.270 7.137 448 HD22 ASN 57 1HD2 ASN 57 11.139 -2.112 8.548 449 H ASP 58 H ASP 58 7.582 -0.444 10.310 450 HA ASP 58 HA ASP 58 6.542 1.874 11.516 451 HB2 ASP 58 1HB ASP 58 7.059 0.858 13.579 452 HB3 ASP 58 2HB ASP 58 6.555 -0.408 12.468 453 H ARG 59 H ARG 59 9.720 1.503 10.329 454 HA ARG 59 HA ARG 59 11.078 3.229 12.250 455 HB2 ARG 59 1HB ARG 59 12.040 1.279 10.976 456 HB3 ARG 59 2HB ARG 59 12.027 2.290 9.521 457 HG2 ARG 59 1HG ARG 59 13.592 3.863 10.555 458 HG3 ARG 59 2HG ARG 59 13.412 3.054 12.124 459 HD2 ARG 59 1HD ARG 59 14.316 0.946 11.030 460 HD3 ARG 59 2HD ARG 59 14.704 1.915 9.611 461 HE ARG 59 HE ARG 59 15.807 2.204 12.373 462 HH11 ARG 59 1HH1 ARG 59 16.228 2.983 8.931 463 HH12 ARG 59 2HH1 ARG 59 17.819 3.631 9.193 464 HH21 ARG 59 1HH2 ARG 59 17.867 3.050 12.614 465 HH22 ARG 59 2HH2 ARG 59 18.728 3.669 11.240 466 H TYR 60 H TYR 60 9.152 3.798 9.416 467 HA TYR 60 HA TYR 60 10.327 6.549 9.051 468 HB2 TYR 60 1HB TYR 60 9.351 4.614 6.930 469 HB3 TYR 60 2HB TYR 60 10.060 6.186 6.641 470 HD1 TYR 60 2HD TYR 60 12.510 6.317 8.157 471 HD2 TYR 60 1HD TYR 60 10.709 2.858 6.314 472 HE1 TYR 60 2HE TYR 60 14.725 5.195 8.094 473 HE2 TYR 60 1HE TYR 60 12.920 1.735 6.247 474 HH TYR 60 HH TYR 60 15.162 1.906 6.716 475 H TRP 61 H TRP 61 7.432 4.682 8.031 476 HA TRP 61 HA TRP 61 6.003 7.252 7.664 477 HB2 TRP 61 1HB TRP 61 5.289 4.477 6.763 478 HB3 TRP 61 2HB TRP 61 4.648 5.958 6.121 479 HD1 TRP 61 HD TRP 61 7.038 3.361 5.389 480 HE1 TRP 61 1HE TRP 61 8.751 4.027 3.599 481 HE3 TRP 61 3HE TRP 61 6.131 8.402 5.227 482 HZ2 TRP 61 2HZ TRP 61 9.522 6.412 2.173 483 HZ3 TRP 61 3HZ TRP 61 7.271 9.821 3.554 484 HH2 TRP 61 HH TRP 61 8.985 8.848 2.035 485 H CYS 62 H CYS 62 5.236 4.004 9.030 486 HA CYS 62 HA CYS 62 3.120 5.219 10.733 487 HB2 CYS 62 1HB CYS 62 2.514 2.775 11.108 488 HB3 CYS 62 2HB CYS 62 2.233 3.429 9.517 489 H SER 63 H SER 63 2.893 4.248 12.929 490 HA SER 63 HA SER 63 5.532 4.077 14.353 491 HB2 SER 63 1HB SER 63 4.119 6.093 14.801 492 HB3 SER 63 2HB SER 63 2.820 5.027 15.346 493 HG SER 63 HG SER 63 3.891 5.568 17.166 494 H LYS 64 H LYS 64 5.959 2.298 15.537 495 HA LYS 64 HA LYS 64 3.973 0.134 15.794 496 HB2 LYS 64 1HB LYS 64 5.881 -1.127 16.757 497 HB3 LYS 64 2HB LYS 64 6.176 -0.532 15.135 498 HG2 LYS 64 1HG LYS 64 7.670 1.167 15.888 499 HG3 LYS 64 2HG LYS 64 7.102 1.070 17.562 500 HD2 LYS 64 1HD LYS 64 8.121 -1.043 17.924 501 HD3 LYS 64 2HD LYS 64 8.507 -1.243 16.190 502 HE2 LYS 64 1HE LYS 64 9.946 0.784 16.302 503 HE3 LYS 64 2HE LYS 64 9.611 0.925 18.035 504 HZ1 LYS 64 3HZ LYS 64 11.715 -0.215 17.628 505 HZ2 LYS 64 1HZ LYS 64 10.671 -1.257 18.332 506 HZ3 LYS 64 2HZ LYS 64 10.982 -1.364 16.727 507 H GLY 65 H GLY 65 4.735 2.785 17.728 508 HA2 GLY 65 1HA GLY 65 4.790 1.479 20.343 509 HA3 GLY 65 2HA GLY 65 4.820 3.210 20.005 510 H ALA 66 H ALA 66 3.392 3.344 21.879 511 HA ALA 66 HA ALA 66 0.730 2.172 21.820 512 HB1 ALA 66 1HB ALA 66 2.017 2.566 23.904 513 HB2 ALA 66 2HB ALA 66 1.949 4.322 23.615 514 HB3 ALA 66 3HB ALA 66 0.459 3.410 23.931 515 H SER 67 H SER 67 1.903 4.741 20.041 516 HA SER 67 HA SER 67 -0.755 5.882 19.536 517 HB2 SER 67 1HB SER 67 -0.001 8.174 20.078 518 HB3 SER 67 2HB SER 67 -0.032 7.112 21.491 519 HG SER 67 HG SER 67 1.882 8.388 21.415 520 HA PRO 68 HA PRO 68 1.139 6.631 15.507 521 HB2 PRO 68 1HB PRO 68 -0.430 8.617 14.502 522 HB3 PRO 68 2HB PRO 68 -1.032 6.943 14.739 523 HG2 PRO 68 1HG PRO 68 -1.392 9.320 16.586 524 HG3 PRO 68 2HG PRO 68 -2.643 8.185 15.982 525 HD2 PRO 68 1HD PRO 68 -1.468 7.869 18.413 526 HD3 PRO 68 2HD PRO 68 -1.901 6.459 17.402 527 H GLY 69 H GLY 69 2.666 8.084 14.586 528 HA2 GLY 69 1HA GLY 69 3.246 10.727 15.444 529 HA3 GLY 69 2HA GLY 69 4.022 9.657 16.592 530 H LYS 70 H LYS 70 3.764 8.975 13.125 531 HA LYS 70 HA LYS 70 6.671 9.583 12.702 532 HB2 LYS 70 1HB LYS 70 5.093 7.113 11.967 533 HB3 LYS 70 2HB LYS 70 6.546 7.541 11.085 534 HG2 LYS 70 1HG LYS 70 6.893 7.616 14.048 535 HG3 LYS 70 2HG LYS 70 6.453 6.058 13.408 536 HD2 LYS 70 1HD LYS 70 8.842 6.230 13.581 537 HD3 LYS 70 2HD LYS 70 8.374 6.067 11.884 538 HE2 LYS 70 1HE LYS 70 8.787 8.413 11.456 539 HE3 LYS 70 2HE LYS 70 8.943 8.764 13.186 540 HZ1 LYS 70 3HZ LYS 70 11.107 8.600 12.060 541 HZ2 LYS 70 1HZ LYS 70 10.971 7.485 13.243 542 HZ3 LYS 70 2HZ LYS 70 10.834 7.028 11.681 543 H ASP 71 H ASP 71 6.759 9.184 9.941 544 HA ASP 71 HA ASP 71 6.112 11.807 9.199 545 HB2 ASP 71 1HB ASP 71 7.886 10.401 8.201 546 HB3 ASP 71 2HB ASP 71 6.654 9.453 7.362 547 H CYS 72 H CYS 72 4.053 8.980 8.828 548 HA CYS 72 HA CYS 72 2.040 10.574 7.282 549 HB2 CYS 72 1HB CYS 72 2.310 7.592 7.671 550 HB3 CYS 72 2HB CYS 72 1.108 8.415 6.679 551 H ASN 73 H ASN 73 2.630 10.187 10.438 552 HA ASN 73 HA ASN 73 1.439 10.240 12.345 553 HB2 ASN 73 1HB ASN 73 0.975 12.399 11.176 554 HB3 ASN 73 2HB ASN 73 -0.541 11.724 10.577 555 HD21 ASN 73 2HD2 ASN 73 -1.760 13.373 11.713 556 HD22 ASN 73 1HD2 ASN 73 -1.936 13.307 13.459 557 H VAL 74 H VAL 74 1.201 7.775 11.557 558 HA VAL 74 HA VAL 74 -1.513 6.891 12.293 559 HB VAL 74 HB VAL 74 -1.528 7.180 9.831 560 HG11 VAL 74 1HG1 VAL 74 0.868 6.675 9.344 561 HG12 VAL 74 2HG1 VAL 74 0.563 4.966 9.722 562 HG13 VAL 74 3HG1 VAL 74 -0.252 5.729 8.351 563 HG21 VAL 74 3HG2 VAL 74 -2.500 5.047 9.277 564 HG22 VAL 74 1HG2 VAL 74 -1.683 4.257 10.638 565 HG23 VAL 74 2HG2 VAL 74 -2.944 5.475 10.939 566 H LYS 75 H LYS 75 -1.590 4.896 13.227 567 HA LYS 75 HA LYS 75 0.967 3.793 14.191 568 HB2 LYS 75 1HB LYS 75 -1.145 4.511 15.527 569 HB3 LYS 75 2HB LYS 75 -1.803 2.944 15.045 570 HG2 LYS 75 1HG LYS 75 0.102 1.812 16.173 571 HG3 LYS 75 2HG LYS 75 0.834 3.385 16.503 572 HD2 LYS 75 1HD LYS 75 -0.123 2.771 18.517 573 HD3 LYS 75 2HD LYS 75 -1.217 3.980 17.891 574 HE2 LYS 75 1HE LYS 75 -1.754 1.019 17.432 575 HE3 LYS 75 2HE LYS 75 -2.035 1.725 19.020 576 HZ1 LYS 75 3HZ LYS 75 -4.054 1.802 17.772 577 HZ2 LYS 75 1HZ LYS 75 -3.550 3.337 17.973 578 HZ3 LYS 75 2HZ LYS 75 -3.395 2.591 16.517 579 H CYS 76 H CYS 76 1.781 1.833 13.634 580 HA CYS 76 HA CYS 76 1.228 0.379 11.329 581 HB2 CYS 76 1HB CYS 76 2.361 -0.603 13.983 582 HB3 CYS 76 2HB CYS 76 2.546 -1.404 12.431 583 H SER 77 H SER 77 -0.229 -0.218 14.560 584 HA SER 77 HA SER 77 -1.527 -2.687 13.844 585 HB2 SER 77 1HB SER 77 -1.009 -1.845 16.163 586 HB3 SER 77 2HB SER 77 -2.371 -0.719 15.994 587 HG SER 77 HG SER 77 -2.947 -2.715 17.045 588 H ASP 78 H ASP 78 -2.613 0.731 13.463 589 HA ASP 78 HA ASP 78 -5.326 0.001 12.704 590 HB2 ASP 78 1HB ASP 78 -3.710 2.569 12.468 591 HB3 ASP 78 2HB ASP 78 -5.377 2.408 11.936 592 H LEU 79 H LEU 79 -2.323 -0.302 11.094 593 HA LEU 79 HA LEU 79 -3.475 -0.066 8.383 594 HB2 LEU 79 1HB LEU 79 -0.799 -1.289 9.136 595 HB3 LEU 79 2HB LEU 79 -1.338 -0.693 7.576 596 HG LEU 79 HG LEU 79 -0.647 0.987 10.020 597 HD11 LEU 79 1HD1 LEU 79 1.283 0.158 8.812 598 HD12 LEU 79 2HD1 LEU 79 0.573 0.625 7.254 599 HD13 LEU 79 3HD1 LEU 79 1.079 1.870 8.409 600 HD21 LEU 79 3HD2 LEU 79 -1.025 2.960 8.526 601 HD22 LEU 79 1HD2 LEU 79 -1.751 1.865 7.334 602 HD23 LEU 79 2HD2 LEU 79 -2.522 2.103 8.917 603 H LEU 80 H LEU 80 -3.433 -2.438 10.851 604 HA LEU 80 HA LEU 80 -3.714 -4.717 8.986 605 HB2 LEU 80 1HB LEU 80 -3.607 -4.707 12.013 606 HB3 LEU 80 2HB LEU 80 -3.519 -6.113 10.959 607 HG LEU 80 HG LEU 80 -1.429 -3.924 11.203 608 HD11 LEU 80 1HD1 LEU 80 -1.541 -5.463 13.124 609 HD12 LEU 80 2HD1 LEU 80 -1.452 -6.862 12.030 610 HD13 LEU 80 3HD1 LEU 80 -0.069 -5.769 12.190 611 HD21 LEU 80 3HD2 LEU 80 0.002 -5.371 9.769 612 HD22 LEU 80 1HD2 LEU 80 -1.400 -6.414 9.449 613 HD23 LEU 80 2HD2 LEU 80 -1.392 -4.721 8.902 614 H THR 81 H THR 81 -5.833 -2.505 9.717 615 HA THR 81 HA THR 81 -8.042 -4.092 10.834 616 HB THR 81 HB THR 81 -7.470 -1.782 11.546 617 HG1 THR 81 1HG THR 81 -9.645 -1.270 11.754 618 HG21 THR 81 3HG2 THR 81 -8.017 0.123 10.304 619 HG22 THR 81 1HG2 THR 81 -7.178 -0.891 9.127 620 HG23 THR 81 2HG2 THR 81 -8.948 -0.793 9.089 621 H ASP 82 H ASP 82 -10.268 -3.314 9.678 622 HA ASP 82 HA ASP 82 -10.205 -4.986 7.257 623 HB2 ASP 82 1HB ASP 82 -12.516 -5.300 7.596 624 HB3 ASP 82 2HB ASP 82 -11.749 -5.394 9.176 625 H ASP 83 H ASP 83 -10.102 -1.721 7.690 626 HA ASP 83 HA ASP 83 -10.981 -1.250 4.865 627 HB2 ASP 83 1HB ASP 83 -12.416 -0.042 6.555 628 HB3 ASP 83 2HB ASP 83 -10.991 0.893 7.013 629 H ILE 84 H ILE 84 -9.410 -0.716 3.559 630 HA ILE 84 HA ILE 84 -6.668 -0.733 4.423 631 HB ILE 84 HB ILE 84 -6.111 -0.647 2.112 632 HG12 ILE 84 1HG1 ILE 84 -8.952 0.311 1.538 633 HG13 ILE 84 2HG1 ILE 84 -7.495 1.302 1.508 634 HG21 ILE 84 1HG2 ILE 84 -7.365 -2.718 2.943 635 HG22 ILE 84 2HG2 ILE 84 -8.804 -2.079 2.147 636 HG23 ILE 84 3HG2 ILE 84 -7.377 -2.496 1.193 637 HD11 ILE 84 3HD1 ILE 84 -8.122 0.775 -0.725 638 HD12 ILE 84 1HD1 ILE 84 -6.567 -0.008 -0.329 639 HD13 ILE 84 2HD1 ILE 84 -8.074 -0.966 -0.400 640 H THR 85 H THR 85 -8.866 1.868 4.318 641 HA THR 85 HA THR 85 -7.533 3.985 3.161 642 HB THR 85 HB THR 85 -9.828 4.016 3.855 643 HG1 THR 85 1HG THR 85 -9.819 6.170 4.502 644 HG21 THR 85 3HG2 THR 85 -10.546 4.509 6.094 645 HG22 THR 85 1HG2 THR 85 -9.540 3.055 6.172 646 HG23 THR 85 2HG2 THR 85 -8.871 4.623 6.679 647 H LYS 86 H LYS 86 -6.959 2.871 6.485 648 HA LYS 86 HA LYS 86 -5.267 5.053 7.265 649 HB2 LYS 86 1HB LYS 86 -5.207 2.149 8.184 650 HB3 LYS 86 2HB LYS 86 -4.544 3.526 9.060 651 HG2 LYS 86 1HG LYS 86 -7.501 3.002 8.503 652 HG3 LYS 86 2HG LYS 86 -6.663 2.770 10.028 653 HD2 LYS 86 1HD LYS 86 -6.162 5.220 10.121 654 HD3 LYS 86 2HD LYS 86 -7.105 5.443 8.628 655 HE2 LYS 86 1HE LYS 86 -9.102 4.470 9.741 656 HE3 LYS 86 2HE LYS 86 -8.170 4.249 11.227 657 HZ1 LYS 86 3HZ LYS 86 -9.481 6.283 11.301 658 HZ2 LYS 86 1HZ LYS 86 -7.894 6.666 11.337 659 HZ3 LYS 86 2HZ LYS 86 -8.756 6.872 9.962 660 H ALA 87 H ALA 87 -4.604 2.162 5.379 661 HA ALA 87 HA ALA 87 -1.681 2.681 5.278 662 HB1 ALA 87 1HB ALA 87 -2.674 0.344 5.518 663 HB2 ALA 87 2HB ALA 87 -3.330 0.525 3.874 664 HB3 ALA 87 3HB ALA 87 -1.572 0.558 4.156 665 H ALA 88 H ALA 88 -4.570 2.813 3.174 666 HA ALA 88 HA ALA 88 -3.207 3.480 0.780 667 HB1 ALA 88 1HB ALA 88 -5.538 2.574 1.009 668 HB2 ALA 88 2HB ALA 88 -6.068 4.179 1.578 669 HB3 ALA 88 3HB ALA 88 -5.412 3.975 -0.055 670 H LYS 89 H LYS 89 -4.677 5.726 3.210 671 HA LYS 89 HA LYS 89 -3.906 8.107 1.742 672 HB2 LYS 89 1HB LYS 89 -4.643 7.580 4.638 673 HB3 LYS 89 2HB LYS 89 -4.326 9.197 3.984 674 HG2 LYS 89 1HG LYS 89 -6.134 8.937 2.338 675 HG3 LYS 89 2HG LYS 89 -6.483 7.304 2.931 676 HD2 LYS 89 1HD LYS 89 -7.050 8.192 5.149 677 HD3 LYS 89 2HD LYS 89 -6.697 9.842 4.619 678 HE2 LYS 89 1HE LYS 89 -8.812 8.026 3.369 679 HE3 LYS 89 2HE LYS 89 -9.149 9.196 4.647 680 HZ1 LYS 89 3HZ LYS 89 -9.644 10.136 2.490 681 HZ2 LYS 89 1HZ LYS 89 -8.398 10.961 3.147 682 HZ3 LYS 89 2HZ LYS 89 -8.126 9.878 1.947 683 H CYS 90 H CYS 90 -2.233 6.108 4.108 684 HA CYS 90 HA CYS 90 0.107 7.831 4.411 685 HB2 CYS 90 1HB CYS 90 -0.484 6.252 6.101 686 HB3 CYS 90 2HB CYS 90 -0.472 4.900 4.964 687 H ALA 91 H ALA 91 -0.748 5.122 2.204 688 HA ALA 91 HA ALA 91 1.655 5.135 0.702 689 HB1 ALA 91 1HB ALA 91 -0.100 3.379 0.666 690 HB2 ALA 91 2HB ALA 91 -1.163 4.474 -0.228 691 HB3 ALA 91 3HB ALA 91 0.355 3.934 -0.960 692 H LYS 92 H LYS 92 -1.304 7.254 0.237 693 HA LYS 92 HA LYS 92 -0.172 8.634 -1.995 694 HB2 LYS 92 1HB LYS 92 -1.931 9.939 0.100 695 HB3 LYS 92 2HB LYS 92 -1.718 10.394 -1.583 696 HG2 LYS 92 1HG LYS 92 -3.235 8.042 -0.457 697 HG3 LYS 92 2HG LYS 92 -3.868 9.409 -1.304 698 HD2 LYS 92 1HD LYS 92 -2.287 7.085 -2.442 699 HD3 LYS 92 2HD LYS 92 -3.966 7.484 -2.728 700 HE2 LYS 92 1HE LYS 92 -1.572 9.126 -3.687 701 HE3 LYS 92 2HE LYS 92 -2.525 8.015 -4.671 702 HZ1 LYS 92 3HZ LYS 92 -3.243 10.305 -4.984 703 HZ2 LYS 92 1HZ LYS 92 -4.465 9.447 -4.325 704 HZ3 LYS 92 2HZ LYS 92 -3.594 10.477 -3.399 705 H LYS 93 H LYS 93 0.204 9.284 1.516 706 HA LYS 93 HA LYS 93 1.858 11.605 1.218 707 HB2 LYS 93 1HB LYS 93 0.650 11.000 3.280 708 HB3 LYS 93 2HB LYS 93 1.667 9.581 3.478 709 HG2 LYS 93 1HG LYS 93 2.330 11.348 4.998 710 HG3 LYS 93 2HG LYS 93 3.641 10.982 3.879 711 HD2 LYS 93 1HD LYS 93 3.173 13.025 2.595 712 HD3 LYS 93 2HD LYS 93 1.698 13.304 3.537 713 HE2 LYS 93 1HE LYS 93 3.339 14.793 4.404 714 HE3 LYS 93 2HE LYS 93 3.109 13.523 5.610 715 HZ1 LYS 93 3HZ LYS 93 5.457 14.044 5.227 716 HZ2 LYS 93 1HZ LYS 93 5.169 12.492 4.857 717 HZ3 LYS 93 2HZ LYS 93 5.348 13.599 3.658 718 H ILE 94 H ILE 94 2.693 8.180 1.063 719 HA ILE 94 HA ILE 94 5.580 8.671 0.807 720 HB ILE 94 HB ILE 94 3.861 6.265 0.072 721 HG12 ILE 94 1HG1 ILE 94 5.846 6.573 2.340 722 HG13 ILE 94 2HG1 ILE 94 4.148 6.928 2.570 723 HG21 ILE 94 1HG2 ILE 94 5.847 6.298 -1.337 724 HG22 ILE 94 2HG2 ILE 94 6.874 6.718 0.045 725 HG23 ILE 94 3HG2 ILE 94 6.113 5.107 -0.066 726 HD11 ILE 94 3HD1 ILE 94 4.566 4.702 3.365 727 HD12 ILE 94 1HD1 ILE 94 3.571 4.588 1.904 728 HD13 ILE 94 2HD1 ILE 94 5.310 4.216 1.835 729 H TYR 95 H TYR 95 2.969 8.000 -1.592 730 HA TYR 95 HA TYR 95 4.555 8.144 -3.884 731 HB2 TYR 95 1HB TYR 95 2.577 7.246 -4.363 732 HB3 TYR 95 2HB TYR 95 1.683 8.235 -3.226 733 HD1 TYR 95 2HD TYR 95 1.121 10.667 -3.849 734 HD2 TYR 95 1HD TYR 95 2.303 7.642 -6.685 735 HE1 TYR 95 2HE TYR 95 0.069 11.976 -5.680 736 HE2 TYR 95 1HE TYR 95 1.263 8.953 -8.522 737 HH TYR 95 HH TYR 95 -0.387 12.087 -7.936 738 H LYS 96 H LYS 96 3.280 10.816 -2.035 739 HA LYS 96 HA LYS 96 3.854 13.029 -3.726 740 HB2 LYS 96 1HB LYS 96 3.746 12.474 -0.750 741 HB3 LYS 96 2HB LYS 96 4.291 14.061 -1.312 742 HG2 LYS 96 1HG LYS 96 2.208 14.332 -2.647 743 HG3 LYS 96 2HG LYS 96 1.605 12.796 -2.016 744 HD2 LYS 96 1HD LYS 96 1.693 13.726 0.296 745 HD3 LYS 96 2HD LYS 96 2.313 15.258 -0.355 746 HE2 LYS 96 1HE LYS 96 0.247 15.471 -1.753 747 HE3 LYS 96 2HE LYS 96 -0.378 13.979 -1.040 748 HZ1 LYS 96 3HZ LYS 96 -1.258 15.946 0.076 749 HZ2 LYS 96 1HZ LYS 96 -0.353 15.090 1.132 750 HZ3 LYS 96 2HZ LYS 96 0.237 16.465 0.468 751 H ARG 97 H ARG 97 6.138 10.923 -2.115 752 HA ARG 97 HA ARG 97 8.408 12.701 -2.954 753 HB2 ARG 97 1HB ARG 97 8.435 10.557 -0.803 754 HB3 ARG 97 2HB ARG 97 9.747 11.638 -1.240 755 HG2 ARG 97 1HG ARG 97 7.167 12.303 0.209 756 HG3 ARG 97 2HG ARG 97 8.813 12.407 0.813 757 HD2 ARG 97 1HD ARG 97 7.441 14.250 -1.168 758 HD3 ARG 97 2HD ARG 97 7.994 14.627 0.447 759 HE ARG 97 HE ARG 97 10.324 14.337 -0.338 760 HH11 ARG 97 1HH1 ARG 97 7.917 14.984 -2.890 761 HH12 ARG 97 2HH1 ARG 97 9.092 15.795 -3.878 762 HH21 ARG 97 1HH2 ARG 97 11.764 15.326 -1.718 763 HH22 ARG 97 2HH2 ARG 97 11.231 15.945 -3.250 764 H HIS 98 H HIS 98 7.178 9.393 -2.865 765 HA HIS 98 HA HIS 98 9.032 8.555 -5.061 766 HB2 HIS 98 1HB HIS 98 8.440 7.088 -2.460 767 HB3 HIS 98 2HB HIS 98 9.412 6.464 -3.792 768 HD2 HIS 98 2HD HIS 98 9.725 8.284 -0.588 769 HE1 HIS 98 1HE HIS 98 13.366 9.133 -2.622 770 HE2 HIS 98 2HE HIS 98 12.162 9.254 -0.379 771 H ARG 99 H ARG 99 7.107 8.905 -6.386 772 HA ARG 99 HA ARG 99 4.608 8.066 -6.022 773 HB2 ARG 99 1HB ARG 99 4.129 8.225 -8.295 774 HB3 ARG 99 2HB ARG 99 5.300 9.459 -7.881 775 HG2 ARG 99 1HG ARG 99 5.899 6.858 -9.370 776 HG3 ARG 99 2HG ARG 99 5.600 8.421 -10.112 777 HD2 ARG 99 1HD ARG 99 7.593 9.361 -8.975 778 HD3 ARG 99 2HD ARG 99 7.957 7.754 -8.310 779 HE ARG 99 HE ARG 99 7.638 7.499 -11.113 780 HH11 ARG 99 1HH1 ARG 99 9.985 8.960 -8.893 781 HH12 ARG 99 2HH1 ARG 99 11.303 8.725 -10.001 782 HH21 ARG 99 1HH2 ARG 99 9.384 7.242 -12.486 783 HH22 ARG 99 2HH2 ARG 99 10.963 7.779 -12.005 784 H PHE 100 H PHE 100 6.992 5.852 -7.465 785 HA PHE 100 HA PHE 100 5.429 3.586 -6.354 786 HB2 PHE 100 1HB PHE 100 6.625 3.588 -9.141 787 HB3 PHE 100 2HB PHE 100 5.823 2.250 -8.326 788 HD1 PHE 100 1HD PHE 100 3.342 2.850 -7.417 789 HD2 PHE 100 2HD PHE 100 5.331 4.714 -10.755 790 HE1 PHE 100 1HE PHE 100 1.148 3.479 -8.367 791 HE2 PHE 100 2HE PHE 100 3.129 5.376 -11.690 792 HZ PHE 100 HZ PHE 100 1.033 4.751 -10.498 793 H ASP 101 H ASP 101 8.419 5.175 -6.615 794 HA ASP 101 HA ASP 101 10.215 2.958 -6.743 795 HB2 ASP 101 1HB ASP 101 10.743 5.244 -7.480 796 HB3 ASP 101 2HB ASP 101 10.622 5.826 -5.820 797 H ALA 102 H ALA 102 8.382 4.105 -4.060 798 HA ALA 102 HA ALA 102 10.181 3.137 -1.971 799 HB1 ALA 102 1HB ALA 102 8.565 4.923 -1.530 800 HB2 ALA 102 2HB ALA 102 7.215 3.839 -1.945 801 HB3 ALA 102 3HB ALA 102 8.214 3.517 -0.515 802 H TRP 103 H TRP 103 8.306 1.498 -4.270 803 HA TRP 103 HA TRP 103 8.084 -0.968 -2.568 804 HB2 TRP 103 1HB TRP 103 6.220 0.102 -4.706 805 HB3 TRP 103 2HB TRP 103 6.058 -1.445 -3.888 806 HD1 TRP 103 HD TRP 103 5.536 -1.369 -1.224 807 HE1 TRP 103 1HE TRP 103 4.175 0.274 0.166 808 HE3 TRP 103 3HE TRP 103 5.693 2.640 -4.379 809 HZ2 TRP 103 2HZ TRP 103 3.080 2.959 -0.155 810 HZ3 TRP 103 3HZ TRP 103 4.485 4.728 -3.830 811 HH2 TRP 103 HH TRP 103 3.119 4.879 -1.753 812 H TYR 104 H TYR 104 9.595 -2.245 -3.091 813 HA TYR 104 HA TYR 104 10.890 -2.806 -5.549 814 HB2 TYR 104 1HB TYR 104 11.751 -3.567 -3.467 815 HB3 TYR 104 2HB TYR 104 10.238 -4.323 -3.008 816 HD1 TYR 104 2HD TYR 104 13.123 -4.636 -5.357 817 HD2 TYR 104 1HD TYR 104 9.699 -6.529 -3.566 818 HE1 TYR 104 2HE TYR 104 13.912 -6.848 -6.209 819 HE2 TYR 104 1HE TYR 104 10.457 -8.746 -4.438 820 HH TYR 104 HH TYR 104 13.473 -9.108 -6.356 821 H GLY 105 H GLY 105 7.797 -3.996 -4.244 822 HA2 GLY 105 1HA GLY 105 7.218 -6.001 -6.188 823 HA3 GLY 105 2HA GLY 105 6.032 -5.121 -5.200 824 H TRP 106 H TRP 106 7.280 -2.556 -6.643 825 HA TRP 106 HA TRP 106 5.740 -2.843 -9.168 826 HB2 TRP 106 1HB TRP 106 5.075 -0.992 -7.790 827 HB3 TRP 106 2HB TRP 106 6.715 -0.351 -7.771 828 HD1 TRP 106 HD TRP 106 3.668 -0.747 -10.051 829 HE1 TRP 106 1HE TRP 106 3.962 0.675 -12.173 830 HE3 TRP 106 3HE TRP 106 8.448 0.882 -9.269 831 HZ2 TRP 106 2HZ TRP 106 6.031 2.298 -13.385 832 HZ3 TRP 106 3HZ TRP 106 9.582 2.318 -10.926 833 HH2 TRP 106 HH TRP 106 8.384 3.040 -12.995 834 H LYS 107 H LYS 107 8.925 -1.485 -8.103 835 HA LYS 107 HA LYS 107 9.785 -1.233 -10.830 836 HB2 LYS 107 1HB LYS 107 12.059 -0.768 -9.797 837 HB3 LYS 107 2HB LYS 107 10.729 0.331 -9.466 838 HG2 LYS 107 1HG LYS 107 10.442 -0.539 -7.245 839 HG3 LYS 107 2HG LYS 107 11.637 -1.832 -7.530 840 HD2 LYS 107 1HD LYS 107 13.408 -0.152 -7.806 841 HD3 LYS 107 2HD LYS 107 12.213 1.156 -7.705 842 HE2 LYS 107 1HE LYS 107 11.641 0.414 -5.384 843 HE3 LYS 107 2HE LYS 107 12.940 -0.789 -5.467 844 HZ1 LYS 107 3HZ LYS 107 13.609 1.341 -4.413 845 HZ2 LYS 107 1HZ LYS 107 14.520 1.021 -5.743 846 HZ3 LYS 107 2HZ LYS 107 13.317 2.135 -5.816 847 H ASN 108 H ASN 108 9.975 -4.054 -8.823 848 HA ASN 108 HA ASN 108 11.739 -5.325 -10.884 849 HB2 ASN 108 1HB ASN 108 11.236 -6.025 -7.977 850 HB3 ASN 108 2HB ASN 108 12.109 -7.055 -9.103 851 HD21 ASN 108 2HD2 ASN 108 14.289 -6.652 -9.471 852 HD22 ASN 108 1HD2 ASN 108 15.119 -5.229 -8.865 853 H HIS 109 H HIS 109 8.431 -5.240 -10.017 854 HA HIS 109 HA HIS 109 7.963 -7.847 -11.420 855 HB2 HIS 109 1HB HIS 109 6.797 -7.023 -8.745 856 HB3 HIS 109 2HB HIS 109 6.344 -8.449 -9.668 857 HD2 HIS 109 2HD HIS 109 9.047 -7.162 -7.321 858 HE1 HIS 109 1HE HIS 109 10.178 -11.127 -8.375 859 HE2 HIS 109 2HE HIS 109 10.697 -9.157 -6.849 860 H CYS 110 H CYS 110 6.912 -4.576 -11.285 861 HA CYS 110 HA CYS 110 4.412 -5.258 -12.805 862 HB2 CYS 110 1HB CYS 110 5.377 -2.649 -11.583 863 HB3 CYS 110 2HB CYS 110 3.920 -2.833 -12.535 864 H GLN 111 H GLN 111 7.574 -4.864 -13.630 865 HA GLN 111 HA GLN 111 7.264 -2.795 -15.691 866 HB2 GLN 111 1HB GLN 111 9.653 -4.574 -15.060 867 HB3 GLN 111 2HB GLN 111 9.656 -3.111 -16.042 868 HG2 GLN 111 1HG GLN 111 9.185 -3.296 -13.038 869 HG3 GLN 111 2HG GLN 111 10.587 -2.630 -13.856 870 HE21 GLN 111 2HE2 GLN 111 7.853 -1.673 -12.209 871 HE22 GLN 111 1HE2 GLN 111 7.688 -0.085 -12.952 872 H GLY 112 H GLY 112 7.093 -6.300 -15.689 873 HA2 GLY 112 1HA GLY 112 7.651 -6.576 -18.561 874 HA3 GLY 112 2HA GLY 112 7.124 -7.846 -17.432 875 H SER 113 H SER 113 4.760 -6.504 -16.496 876 HA SER 113 HA SER 113 2.947 -5.773 -18.591 877 HB2 SER 113 1HB SER 113 3.280 -8.232 -19.133 878 HB3 SER 113 2HB SER 113 2.602 -8.611 -17.543 879 HG SER 113 HG SER 113 1.030 -8.636 -19.260 880 H LEU 114 H LEU 114 0.806 -5.352 -17.759 881 HA LEU 114 HA LEU 114 0.509 -5.399 -14.790 882 HB2 LEU 114 1HB LEU 114 -0.384 -3.363 -16.874 883 HB3 LEU 114 2HB LEU 114 -0.957 -3.359 -15.214 884 HG LEU 114 HG LEU 114 1.991 -3.090 -15.961 885 HD11 LEU 114 1HD1 LEU 114 0.648 -1.242 -16.873 886 HD12 LEU 114 2HD1 LEU 114 -0.050 -0.946 -15.260 887 HD13 LEU 114 3HD1 LEU 114 1.690 -0.697 -15.544 888 HD21 LEU 114 3HD2 LEU 114 2.127 -2.138 -13.629 889 HD22 LEU 114 1HD2 LEU 114 0.456 -2.656 -13.355 890 HD23 LEU 114 2HD2 LEU 114 1.726 -3.862 -13.660 891 HA PRO 115 HA PRO 115 -3.317 -7.617 -15.550 892 HB2 PRO 115 1HB PRO 115 -4.770 -7.003 -13.338 893 HB3 PRO 115 2HB PRO 115 -3.308 -8.040 -13.260 894 HG2 PRO 115 1HG PRO 115 -3.524 -5.068 -12.677 895 HG3 PRO 115 2HG PRO 115 -2.740 -6.337 -11.679 896 HD2 PRO 115 1HD PRO 115 -1.332 -4.766 -13.412 897 HD3 PRO 115 2HD PRO 115 -0.904 -6.485 -13.152 898 H ASP 116 H ASP 116 -5.445 -7.230 -16.277 899 HA ASP 116 HA ASP 116 -6.103 -4.482 -17.077 900 HB2 ASP 116 1HB ASP 116 -6.434 -6.344 -18.633 901 HB3 ASP 116 2HB ASP 116 -7.549 -7.115 -17.500 902 H ILE 117 H ILE 117 -7.909 -3.409 -16.535 903 HA ILE 117 HA ILE 117 -9.422 -4.105 -14.041 904 HB ILE 117 HB ILE 117 -9.266 -1.751 -13.342 905 HG12 ILE 117 1HG1 ILE 117 -7.206 -1.382 -15.571 906 HG13 ILE 117 2HG1 ILE 117 -8.877 -0.830 -15.679 907 HG21 ILE 117 1HG2 ILE 117 -7.673 -3.461 -12.468 908 HG22 ILE 117 2HG2 ILE 117 -6.493 -2.968 -13.695 909 HG23 ILE 117 3HG2 ILE 117 -7.013 -1.824 -12.442 910 HD11 ILE 117 3HD1 ILE 117 -7.494 1.007 -15.060 911 HD12 ILE 117 1HD1 ILE 117 -8.535 0.589 -13.680 912 HD13 ILE 117 2HD1 ILE 117 -6.816 0.105 -13.690 913 H SER 118 H SER 118 -9.681 -3.449 -17.283 914 HA SER 118 HA SER 118 -11.724 -1.516 -17.470 915 HB2 SER 118 1HB SER 118 -11.293 -3.876 -19.338 916 HB3 SER 118 2HB SER 118 -12.095 -2.346 -19.716 917 HG SER 118 HG SER 118 -9.344 -2.870 -19.250 918 H SER 119 H SER 119 -12.100 -4.816 -16.403 919 HA SER 119 HA SER 119 -15.005 -4.919 -16.799 920 HB2 SER 119 1HB SER 119 -13.161 -6.679 -15.140 921 HB3 SER 119 2HB SER 119 -14.815 -7.052 -15.631 922 HG SER 119 HG SER 119 -14.112 -7.138 -17.806 923 H CYS 120 H CYS 120 -13.078 -3.258 -14.548 924 HA CYS 120 HA CYS 120 -14.821 -3.724 -12.205 925 HB2 CYS 120 1HB CYS 120 -12.284 -2.098 -12.486 926 HB3 CYS 120 2HB CYS 120 -13.067 -2.582 -10.985 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -8.214 -8.526 10.419 2 H2 GLY 1 2H GLY 1 -6.745 -8.988 9.838 3 H3 GLY 1 3H GLY 1 -6.913 -7.523 10.556 4 HA2 GLY 1 1HA GLY 1 -8.306 -6.715 8.803 5 HA3 GLY 1 2HA GLY 1 -6.747 -7.300 8.189 6 H LYS 2 H LYS 2 -7.555 -7.682 6.137 7 HA LYS 2 HA LYS 2 -8.929 -10.204 5.629 8 HB2 LYS 2 1HB LYS 2 -10.813 -9.246 4.451 9 HB3 LYS 2 2HB LYS 2 -10.807 -8.642 6.106 10 HG2 LYS 2 1HG LYS 2 -9.891 -6.491 5.394 11 HG3 LYS 2 2HG LYS 2 -9.712 -7.061 3.734 12 HD2 LYS 2 1HD LYS 2 -12.391 -6.841 5.159 13 HD3 LYS 2 2HD LYS 2 -11.686 -5.581 4.134 14 HE2 LYS 2 1HE LYS 2 -11.594 -7.161 2.218 15 HE3 LYS 2 2HE LYS 2 -12.365 -8.407 3.212 16 HZ1 LYS 2 3HZ LYS 2 -13.989 -7.236 1.851 17 HZ2 LYS 2 1HZ LYS 2 -14.297 -6.941 3.428 18 HZ3 LYS 2 2HZ LYS 2 -13.584 -5.793 2.504 19 H THR 3 H THR 3 -9.212 -10.570 3.245 20 HA THR 3 HA THR 3 -7.042 -9.286 1.648 21 HB THR 3 HB THR 3 -8.102 -12.085 1.208 22 HG1 THR 3 1HG THR 3 -6.275 -12.747 2.345 23 HG21 THR 3 3HG2 THR 3 -5.920 -12.320 0.011 24 HG22 THR 3 1HG2 THR 3 -6.912 -11.048 -0.713 25 HG23 THR 3 2HG2 THR 3 -5.558 -10.613 0.352 26 H PHE 4 H PHE 4 -7.538 -8.364 -0.210 27 HA PHE 4 HA PHE 4 -10.371 -8.279 -1.110 28 HB2 PHE 4 1HB PHE 4 -7.954 -6.527 -1.743 29 HB3 PHE 4 2HB PHE 4 -9.507 -6.315 -2.483 30 HD1 PHE 4 1HD PHE 4 -7.900 -6.359 0.950 31 HD2 PHE 4 2HD PHE 4 -11.131 -4.890 -1.526 32 HE1 PHE 4 1HE PHE 4 -8.753 -5.016 2.835 33 HE2 PHE 4 2HE PHE 4 -11.981 -3.584 0.381 34 HZ PHE 4 HZ PHE 4 -10.811 -3.647 2.573 35 H THR 5 H THR 5 -10.820 -8.237 -3.387 36 HA THR 5 HA THR 5 -9.012 -9.844 -5.159 37 HB THR 5 HB THR 5 -11.219 -10.889 -4.795 38 HG1 THR 5 1HG THR 5 -11.494 -11.205 -7.001 39 HG21 THR 5 3HG2 THR 5 -13.233 -9.954 -5.784 40 HG22 THR 5 1HG2 THR 5 -12.633 -8.812 -4.575 41 HG23 THR 5 2HG2 THR 5 -12.372 -8.497 -6.308 42 H ARG 6 H ARG 6 -8.966 -8.996 -7.453 43 HA ARG 6 HA ARG 6 -8.052 -6.322 -7.361 44 HB2 ARG 6 1HB ARG 6 -7.389 -8.090 -9.004 45 HB3 ARG 6 2HB ARG 6 -8.902 -7.811 -9.875 46 HG2 ARG 6 1HG ARG 6 -8.257 -5.437 -10.244 47 HG3 ARG 6 2HG ARG 6 -6.770 -5.683 -9.314 48 HD2 ARG 6 1HD ARG 6 -7.512 -7.089 -11.911 49 HD3 ARG 6 2HD ARG 6 -6.396 -5.726 -11.762 50 HE ARG 6 HE ARG 6 -5.159 -7.361 -10.088 51 HH11 ARG 6 1HH1 ARG 6 -6.687 -8.450 -13.105 52 HH12 ARG 6 2HH1 ARG 6 -5.583 -9.783 -13.264 53 HH21 ARG 6 1HH2 ARG 6 -3.683 -8.904 -10.470 54 HH22 ARG 6 2HH2 ARG 6 -3.900 -10.062 -11.769 55 H CYS 7 H CYS 7 -11.182 -7.542 -8.611 56 HA CYS 7 HA CYS 7 -12.260 -5.009 -9.390 57 HB2 CYS 7 1HB CYS 7 -13.724 -7.501 -8.446 58 HB3 CYS 7 2HB CYS 7 -14.421 -6.165 -9.358 59 H GLY 8 H GLY 8 -11.970 -6.414 -6.195 60 HA2 GLY 8 1HA GLY 8 -13.772 -4.476 -4.886 61 HA3 GLY 8 2HA GLY 8 -12.690 -5.661 -4.104 62 H LEU 9 H LEU 9 -10.210 -5.067 -5.087 63 HA LEU 9 HA LEU 9 -9.450 -2.778 -3.609 64 HB2 LEU 9 1HB LEU 9 -8.048 -4.799 -4.067 65 HB3 LEU 9 2HB LEU 9 -7.920 -4.310 -5.761 66 HG LEU 9 HG LEU 9 -6.827 -2.190 -5.038 67 HD11 LEU 9 1HD1 LEU 9 -7.683 -1.904 -2.783 68 HD12 LEU 9 2HD1 LEU 9 -6.979 -3.451 -2.272 69 HD13 LEU 9 3HD1 LEU 9 -5.929 -2.070 -2.684 70 HD21 LEU 9 3HD2 LEU 9 -4.669 -3.111 -4.585 71 HD22 LEU 9 1HD2 LEU 9 -5.371 -4.602 -3.923 72 HD23 LEU 9 2HD2 LEU 9 -5.509 -4.237 -5.660 73 H VAL 10 H VAL 10 -9.732 -3.124 -7.195 74 HA VAL 10 HA VAL 10 -8.917 -0.519 -7.933 75 HB VAL 10 HB VAL 10 -11.077 -2.316 -9.105 76 HG11 VAL 10 1HG1 VAL 10 -11.773 -0.160 -9.858 77 HG12 VAL 10 2HG1 VAL 10 -10.114 0.376 -10.132 78 HG13 VAL 10 3HG1 VAL 10 -10.844 -0.842 -11.193 79 HG21 VAL 10 3HG2 VAL 10 -9.442 -2.730 -10.871 80 HG22 VAL 10 1HG2 VAL 10 -8.305 -1.577 -10.144 81 HG23 VAL 10 2HG2 VAL 10 -8.704 -3.088 -9.311 82 H HIS 11 H HIS 11 -12.115 -1.593 -6.790 83 HA HIS 11 HA HIS 11 -13.405 1.008 -6.939 84 HB2 HIS 11 1HB HIS 11 -14.097 -1.597 -5.532 85 HB3 HIS 11 2HB HIS 11 -15.087 -0.160 -5.419 86 HD2 HIS 11 2HD HIS 11 -13.735 -0.498 -8.932 87 HE1 HIS 11 1HE HIS 11 -17.654 -2.156 -9.008 88 HE2 HIS 11 2HE HIS 11 -15.727 -1.351 -10.446 89 H GLU 12 H GLU 12 -11.912 -0.818 -4.245 90 HA GLU 12 HA GLU 12 -12.560 0.987 -2.165 91 HB2 GLU 12 1HB GLU 12 -11.483 -1.470 -2.257 92 HB3 GLU 12 2HB GLU 12 -9.977 -0.584 -2.147 93 HG2 GLU 12 1HG GLU 12 -10.748 -1.336 0.030 94 HG3 GLU 12 2HG GLU 12 -10.752 0.435 -0.038 95 H LEU 13 H LEU 13 -9.680 0.883 -4.297 96 HA LEU 13 HA LEU 13 -8.419 3.218 -3.119 97 HB2 LEU 13 1HB LEU 13 -8.064 1.876 -5.810 98 HB3 LEU 13 2HB LEU 13 -6.942 3.032 -5.108 99 HG LEU 13 HG LEU 13 -7.594 0.331 -3.907 100 HD11 LEU 13 1HD1 LEU 13 -6.457 0.118 -6.043 101 HD12 LEU 13 2HD1 LEU 13 -5.221 1.299 -5.535 102 HD13 LEU 13 3HD1 LEU 13 -5.326 -0.285 -4.730 103 HD21 LEU 13 3HD2 LEU 13 -5.671 0.653 -2.474 104 HD22 LEU 13 1HD2 LEU 13 -5.375 2.263 -3.169 105 HD23 LEU 13 2HD2 LEU 13 -6.833 1.955 -2.199 106 H ARG 14 H ARG 14 -10.498 2.761 -5.995 107 HA ARG 14 HA ARG 14 -10.510 5.465 -6.921 108 HB2 ARG 14 1HB ARG 14 -12.592 3.267 -7.006 109 HB3 ARG 14 2HB ARG 14 -12.955 4.879 -7.619 110 HG2 ARG 14 1HG ARG 14 -11.251 4.776 -9.293 111 HG3 ARG 14 2HG ARG 14 -10.579 3.281 -8.617 112 HD2 ARG 14 1HD ARG 14 -12.626 2.064 -9.106 113 HD3 ARG 14 2HD ARG 14 -13.403 3.544 -9.720 114 HE ARG 14 HE ARG 14 -11.041 3.152 -11.201 115 HH11 ARG 14 1HH1 ARG 14 -14.183 1.550 -10.811 116 HH12 ARG 14 2HH1 ARG 14 -14.038 0.712 -12.344 117 HH21 ARG 14 1HH2 ARG 14 -11.005 2.058 -13.229 118 HH22 ARG 14 2HH2 ARG 14 -12.338 1.010 -13.643 119 H LYS 15 H LYS 15 -12.521 3.955 -4.319 120 HA LYS 15 HA LYS 15 -13.957 6.343 -3.633 121 HB2 LYS 15 1HB LYS 15 -14.750 4.070 -3.245 122 HB3 LYS 15 2HB LYS 15 -13.350 3.711 -2.240 123 HG2 LYS 15 1HG LYS 15 -15.260 4.027 -0.887 124 HG3 LYS 15 2HG LYS 15 -14.082 5.296 -0.552 125 HD2 LYS 15 1HD LYS 15 -15.421 6.890 -1.929 126 HD3 LYS 15 2HD LYS 15 -16.596 5.619 -2.278 127 HE2 LYS 15 1HE LYS 15 -15.890 6.636 0.516 128 HE3 LYS 15 2HE LYS 15 -17.234 7.255 -0.448 129 HZ1 LYS 15 3HZ LYS 15 -17.999 5.570 1.091 130 HZ2 LYS 15 1HZ LYS 15 -18.201 5.022 -0.433 131 HZ3 LYS 15 2HZ LYS 15 -16.974 4.451 0.490 132 H HIS 16 H HIS 16 -10.856 4.984 -2.542 133 HA HIS 16 HA HIS 16 -10.546 6.945 -0.411 134 HB2 HIS 16 1HB HIS 16 -8.772 4.713 -1.477 135 HB3 HIS 16 2HB HIS 16 -8.356 5.738 -0.105 136 HD2 HIS 16 2HD HIS 16 -8.393 3.022 0.833 137 HE1 HIS 16 1HE HIS 16 -12.469 3.297 1.971 138 HE2 HIS 16 2HE HIS 16 -10.341 2.010 2.333 139 H GLY 17 H GLY 17 -10.067 7.371 -3.668 140 HA2 GLY 17 1HA GLY 17 -9.463 9.465 -4.559 141 HA3 GLY 17 2HA GLY 17 -8.485 9.829 -3.120 142 H PHE 18 H PHE 18 -8.233 6.870 -5.123 143 HA PHE 18 HA PHE 18 -5.454 7.602 -5.874 144 HB2 PHE 18 1HB PHE 18 -7.071 5.063 -6.019 145 HB3 PHE 18 2HB PHE 18 -5.534 5.240 -6.842 146 HD1 PHE 18 2HD PHE 18 -6.987 5.770 -3.379 147 HD2 PHE 18 1HD PHE 18 -3.583 4.627 -5.755 148 HE1 PHE 18 2HE PHE 18 -5.727 5.310 -1.336 149 HE2 PHE 18 1HE PHE 18 -2.341 4.038 -3.684 150 HZ PHE 18 HZ PHE 18 -3.404 4.367 -1.472 151 H GLU 19 H GLU 19 -4.709 7.647 -7.922 152 HA GLU 19 HA GLU 19 -6.347 9.056 -9.791 153 HB2 GLU 19 1HB GLU 19 -3.567 7.852 -10.061 154 HB3 GLU 19 2HB GLU 19 -4.290 9.015 -11.153 155 HG2 GLU 19 1HG GLU 19 -2.726 10.144 -9.787 156 HG3 GLU 19 2HG GLU 19 -4.346 10.695 -9.359 157 H GLU 20 H GLU 20 -7.687 8.211 -11.319 158 HA GLU 20 HA GLU 20 -8.012 5.447 -11.707 159 HB2 GLU 20 1HB GLU 20 -9.604 6.003 -13.436 160 HB3 GLU 20 2HB GLU 20 -9.787 7.076 -12.052 161 HG2 GLU 20 1HG GLU 20 -8.520 8.854 -13.295 162 HG3 GLU 20 2HG GLU 20 -8.414 7.775 -14.688 163 H ASN 21 H ASN 21 -5.881 7.630 -13.482 164 HA ASN 21 HA ASN 21 -5.316 5.689 -15.594 165 HB2 ASN 21 1HB ASN 21 -3.807 7.314 -16.451 166 HB3 ASN 21 2HB ASN 21 -5.283 8.145 -15.987 167 HD21 ASN 21 2HD2 ASN 21 -1.956 8.431 -15.896 168 HD22 ASN 21 1HD2 ASN 21 -1.825 9.481 -14.496 169 H LEU 22 H LEU 22 -4.183 6.119 -12.349 170 HA LEU 22 HA LEU 22 -1.724 4.485 -12.877 171 HB2 LEU 22 1HB LEU 22 -2.580 5.939 -10.358 172 HB3 LEU 22 2HB LEU 22 -1.059 5.128 -10.627 173 HG LEU 22 HG LEU 22 -2.003 7.692 -11.963 174 HD11 LEU 22 1HD1 LEU 22 -1.243 7.820 -9.577 175 HD12 LEU 22 2HD1 LEU 22 0.314 7.133 -10.056 176 HD13 LEU 22 3HD1 LEU 22 -0.189 8.716 -10.690 177 HD21 LEU 22 3HD2 LEU 22 0.254 7.812 -12.995 178 HD22 LEU 22 1HD2 LEU 22 0.602 6.166 -12.432 179 HD23 LEU 22 2HD2 LEU 22 -0.683 6.452 -13.622 180 H MET 23 H MET 23 -4.953 4.037 -11.935 181 HA MET 23 HA MET 23 -4.918 2.363 -9.760 182 HB2 MET 23 1HB MET 23 -6.862 3.289 -11.127 183 HB3 MET 23 2HB MET 23 -6.681 1.912 -12.187 184 HG2 MET 23 1HG MET 23 -8.451 1.550 -10.506 185 HG3 MET 23 2HG MET 23 -7.162 0.371 -10.305 186 HE1 MET 23 3HE MET 23 -8.130 3.977 -7.630 187 HE2 MET 23 1HE MET 23 -6.920 4.231 -8.911 188 HE3 MET 23 2HE MET 23 -8.570 3.729 -9.328 189 H ARG 24 H ARG 24 -4.353 1.253 -13.128 190 HA ARG 24 HA ARG 24 -3.938 -1.496 -12.672 191 HB2 ARG 24 1HB ARG 24 -2.468 0.329 -14.633 192 HB3 ARG 24 2HB ARG 24 -2.566 -1.435 -14.707 193 HG2 ARG 24 1HG ARG 24 -5.018 -1.297 -15.000 194 HG3 ARG 24 2HG ARG 24 -4.917 0.475 -14.960 195 HD2 ARG 24 1HD ARG 24 -5.050 -0.154 -17.249 196 HD3 ARG 24 2HD ARG 24 -3.393 0.399 -16.943 197 HE ARG 24 HE ARG 24 -3.691 -2.469 -16.606 198 HH11 ARG 24 1HH1 ARG 24 -3.423 -0.063 -19.189 199 HH12 ARG 24 2HH1 ARG 24 -2.755 -1.208 -20.313 200 HH21 ARG 24 1HH2 ARG 24 -2.712 -3.878 -18.087 201 HH22 ARG 24 2HH2 ARG 24 -2.402 -3.335 -19.704 202 H ASN 25 H ASN 25 -1.516 1.157 -12.533 203 HA ASN 25 HA ASN 25 0.750 -0.414 -11.829 204 HB2 ASN 25 1HB ASN 25 0.278 2.480 -11.020 205 HB3 ASN 25 2HB ASN 25 1.800 1.652 -11.222 206 HD21 ASN 25 2HD2 ASN 25 2.842 2.582 -12.959 207 HD22 ASN 25 1HD2 ASN 25 2.059 2.962 -14.482 208 H TRP 26 H TRP 26 -1.601 1.392 -9.805 209 HA TRP 26 HA TRP 26 -0.418 0.782 -7.292 210 HB2 TRP 26 1HB TRP 26 -3.165 1.717 -8.175 211 HB3 TRP 26 2HB TRP 26 -2.814 1.370 -6.492 212 HD1 TRP 26 HD TRP 26 -2.839 4.196 -8.722 213 HE1 TRP 26 1HE TRP 26 -1.652 6.210 -7.650 214 HE3 TRP 26 3HE TRP 26 -0.236 1.727 -5.080 215 HZ2 TRP 26 2HZ TRP 26 0.162 6.677 -5.438 216 HZ3 TRP 26 3HZ TRP 26 1.179 2.968 -3.479 217 HH2 TRP 26 HH TRP 26 1.378 5.445 -3.633 218 H VAL 27 H VAL 27 -3.255 -0.836 -8.896 219 HA VAL 27 HA VAL 27 -3.486 -2.725 -6.751 220 HB VAL 27 HB VAL 27 -4.904 -4.098 -8.036 221 HG11 VAL 27 1HG1 VAL 27 -5.746 -1.906 -7.187 222 HG12 VAL 27 2HG1 VAL 27 -5.546 -1.237 -8.817 223 HG13 VAL 27 3HG1 VAL 27 -6.659 -2.581 -8.541 224 HG21 VAL 27 3HG2 VAL 27 -5.419 -3.704 -10.437 225 HG22 VAL 27 1HG2 VAL 27 -4.036 -2.594 -10.522 226 HG23 VAL 27 2HG2 VAL 27 -3.784 -4.314 -10.150 227 H CYS 28 H CYS 28 -1.493 -2.851 -9.726 228 HA CYS 28 HA CYS 28 -0.650 -5.574 -9.301 229 HB2 CYS 28 1HB CYS 28 -0.623 -4.129 -11.399 230 HB3 CYS 28 2HB CYS 28 0.891 -3.448 -10.810 231 H LEU 29 H LEU 29 0.852 -2.439 -8.398 232 HA LEU 29 HA LEU 29 3.124 -3.398 -6.997 233 HB2 LEU 29 1HB LEU 29 2.718 -1.095 -7.618 234 HB3 LEU 29 2HB LEU 29 1.316 -0.969 -6.578 235 HG LEU 29 HG LEU 29 4.122 -1.449 -5.495 236 HD11 LEU 29 1HD1 LEU 29 4.015 0.646 -6.848 237 HD12 LEU 29 2HD1 LEU 29 2.618 1.181 -5.888 238 HD13 LEU 29 3HD1 LEU 29 4.209 0.985 -5.131 239 HD21 LEU 29 3HD2 LEU 29 3.129 -0.335 -3.441 240 HD22 LEU 29 1HD2 LEU 29 1.533 -0.455 -4.201 241 HD23 LEU 29 2HD2 LEU 29 2.453 -1.917 -3.775 242 H VAL 30 H VAL 30 -0.154 -2.696 -5.682 243 HA VAL 30 HA VAL 30 0.355 -3.711 -3.082 244 HB VAL 30 HB VAL 30 -2.185 -3.346 -4.686 245 HG11 VAL 30 1HG1 VAL 30 -2.753 -5.150 -3.157 246 HG12 VAL 30 2HG1 VAL 30 -1.994 -4.283 -1.805 247 HG13 VAL 30 3HG1 VAL 30 -3.465 -3.650 -2.580 248 HG21 VAL 30 3HG2 VAL 30 -2.527 -1.463 -3.143 249 HG22 VAL 30 1HG2 VAL 30 -1.071 -1.912 -2.226 250 HG23 VAL 30 2HG2 VAL 30 -0.928 -1.322 -3.891 251 H GLU 31 H GLU 31 -0.900 -5.469 -5.965 252 HA GLU 31 HA GLU 31 -1.297 -7.954 -4.630 253 HB2 GLU 31 1HB GLU 31 -0.828 -7.169 -7.526 254 HB3 GLU 31 2HB GLU 31 -0.982 -8.865 -7.067 255 HG2 GLU 31 1HG GLU 31 -3.181 -8.575 -6.211 256 HG3 GLU 31 2HG GLU 31 -3.106 -6.821 -6.335 257 H HIS 32 H HIS 32 1.702 -6.495 -5.755 258 HA HIS 32 HA HIS 32 3.177 -9.040 -5.261 259 HB2 HIS 32 1HB HIS 32 3.800 -6.464 -6.697 260 HB3 HIS 32 2HB HIS 32 5.076 -7.603 -6.240 261 HD2 HIS 32 2HD HIS 32 2.877 -6.915 -9.079 262 HE1 HIS 32 1HE HIS 32 3.688 -11.073 -9.448 263 HE2 HIS 32 2HE HIS 32 2.736 -9.028 -10.637 264 H GLU 33 H GLU 33 2.517 -6.070 -3.615 265 HA GLU 33 HA GLU 33 4.756 -6.442 -1.716 266 HB2 GLU 33 1HB GLU 33 2.499 -4.424 -1.878 267 HB3 GLU 33 2HB GLU 33 3.652 -4.489 -0.550 268 HG2 GLU 33 1HG GLU 33 4.412 -4.050 -3.456 269 HG3 GLU 33 2HG GLU 33 4.252 -2.799 -2.234 270 H SER 34 H SER 34 1.117 -6.456 -1.372 271 HA SER 34 HA SER 34 1.452 -8.209 1.046 272 HB2 SER 34 1HB SER 34 -0.818 -7.464 1.633 273 HB3 SER 34 2HB SER 34 0.278 -6.115 1.566 274 HG SER 34 HG SER 34 -0.732 -5.325 -0.128 275 H SER 35 H SER 35 0.270 -8.292 -2.178 276 HA SER 35 HA SER 35 -1.066 -9.682 -3.364 277 HB2 SER 35 1HB SER 35 -1.320 -11.564 -1.004 278 HB3 SER 35 2HB SER 35 -1.713 -11.879 -2.692 279 HG SER 35 HG SER 35 0.893 -11.281 -1.684 280 H ARG 36 H ARG 36 -2.000 -7.455 -1.645 281 HA ARG 36 HA ARG 36 -3.843 -6.315 -1.263 282 HB2 ARG 36 1HB ARG 36 -5.759 -8.455 -2.127 283 HB3 ARG 36 2HB ARG 36 -5.878 -6.693 -2.193 284 HG2 ARG 36 1HG ARG 36 -4.169 -6.760 -4.083 285 HG3 ARG 36 2HG ARG 36 -4.340 -8.520 -4.047 286 HD2 ARG 36 1HD ARG 36 -6.970 -7.887 -4.113 287 HD3 ARG 36 2HD ARG 36 -6.355 -6.431 -4.856 288 HE ARG 36 HE ARG 36 -5.715 -7.623 -6.733 289 HH11 ARG 36 1HH1 ARG 36 -6.695 -10.028 -4.289 290 HH12 ARG 36 2HH1 ARG 36 -6.496 -11.334 -5.423 291 HH21 ARG 36 1HH2 ARG 36 -5.501 -9.262 -8.047 292 HH22 ARG 36 2HH2 ARG 36 -5.902 -10.912 -7.587 293 H ASP 37 H ASP 37 -2.684 -7.893 0.770 294 HA ASP 37 HA ASP 37 -5.024 -8.723 2.478 295 HB2 ASP 37 1HB ASP 37 -3.589 -10.609 1.889 296 HB3 ASP 37 2HB ASP 37 -2.174 -9.741 2.483 297 H THR 38 H THR 38 -5.490 -7.258 4.010 298 HA THR 38 HA THR 38 -3.575 -5.225 4.814 299 HB THR 38 HB THR 38 -5.171 -4.517 6.511 300 HG1 THR 38 1HG THR 38 -7.090 -5.482 6.725 301 HG21 THR 38 3HG2 THR 38 -7.038 -3.867 5.058 302 HG22 THR 38 1HG2 THR 38 -5.477 -3.636 4.265 303 HG23 THR 38 2HG2 THR 38 -6.511 -5.028 3.826 304 H SER 39 H SER 39 -4.303 -8.455 6.026 305 HA SER 39 HA SER 39 -3.288 -7.984 8.721 306 HB2 SER 39 1HB SER 39 -3.868 -10.558 7.211 307 HB3 SER 39 2HB SER 39 -3.551 -10.416 8.936 308 HG SER 39 HG SER 39 -5.815 -10.548 8.276 309 H LYS 40 H LYS 40 -1.607 -8.138 5.839 310 HA LYS 40 HA LYS 40 0.345 -10.126 6.397 311 HB2 LYS 40 1HB LYS 40 -0.387 -9.157 4.148 312 HB3 LYS 40 2HB LYS 40 0.572 -7.745 4.520 313 HG2 LYS 40 1HG LYS 40 1.923 -9.128 3.122 314 HG3 LYS 40 2HG LYS 40 2.614 -9.262 4.717 315 HD2 LYS 40 1HD LYS 40 2.579 -11.438 3.642 316 HD3 LYS 40 2HD LYS 40 1.463 -11.478 5.008 317 HE2 LYS 40 1HE LYS 40 -0.445 -11.064 3.419 318 HE3 LYS 40 2HE LYS 40 0.699 -11.070 2.073 319 HZ1 LYS 40 3HZ LYS 40 -0.364 -13.218 2.343 320 HZ2 LYS 40 1HZ LYS 40 1.234 -13.382 2.648 321 HZ3 LYS 40 2HZ LYS 40 0.156 -13.359 3.882 322 H THR 41 H THR 41 2.422 -10.071 7.050 323 HA THR 41 HA THR 41 3.794 -7.727 8.128 324 HB THR 41 HB THR 41 4.173 -8.946 10.345 325 HG1 THR 41 1HG THR 41 3.222 -10.925 9.671 326 HG21 THR 41 3HG2 THR 41 2.210 -8.122 11.476 327 HG22 THR 41 1HG2 THR 41 2.809 -6.936 10.320 328 HG23 THR 41 2HG2 THR 41 1.360 -7.900 9.932 329 H ASN 42 H ASN 42 5.911 -7.960 8.326 330 HA ASN 42 HA ASN 42 7.279 -10.557 8.111 331 HB2 ASN 42 1HB ASN 42 7.411 -8.353 5.993 332 HB3 ASN 42 2HB ASN 42 8.663 -9.520 6.174 333 HD21 ASN 42 2HD2 ASN 42 5.515 -8.946 4.906 334 HD22 ASN 42 1HD2 ASN 42 5.312 -10.528 4.134 335 H THR 43 H THR 43 9.078 -10.474 9.413 336 HA THR 43 HA THR 43 9.964 -7.933 10.589 337 HB THR 43 HB THR 43 11.050 -10.740 10.981 338 HG1 THR 43 1HG THR 43 9.604 -10.847 12.621 339 HG21 THR 43 3HG2 THR 43 11.784 -9.806 13.187 340 HG22 THR 43 1HG2 THR 43 12.608 -9.028 11.832 341 HG23 THR 43 2HG2 THR 43 11.276 -8.187 12.656 342 H ASN 44 H ASN 44 11.781 -6.853 10.235 343 HA ASN 44 HA ASN 44 13.358 -7.485 7.791 344 HB2 ASN 44 1HB ASN 44 13.122 -4.939 9.432 345 HB3 ASN 44 2HB ASN 44 13.963 -5.091 7.895 346 HD21 ASN 44 2HD2 ASN 44 11.600 -3.455 8.841 347 HD22 ASN 44 1HD2 ASN 44 10.405 -3.701 7.566 348 H ARG 45 H ARG 45 15.657 -7.037 7.783 349 HA ARG 45 HA ARG 45 17.143 -8.236 9.909 350 HB2 ARG 45 1HB ARG 45 18.158 -6.447 7.657 351 HB3 ARG 45 2HB ARG 45 19.134 -7.533 8.659 352 HG2 ARG 45 1HG ARG 45 17.760 -9.467 7.819 353 HG3 ARG 45 2HG ARG 45 16.927 -8.345 6.724 354 HD2 ARG 45 1HD ARG 45 19.088 -7.766 5.661 355 HD3 ARG 45 2HD ARG 45 19.933 -8.888 6.728 356 HE ARG 45 HE ARG 45 18.280 -9.516 4.389 357 HH11 ARG 45 1HH1 ARG 45 19.722 -10.944 7.292 358 HH12 ARG 45 2HH1 ARG 45 19.644 -12.555 6.643 359 HH21 ARG 45 1HH2 ARG 45 18.206 -11.613 3.622 360 HH22 ARG 45 2HH2 ARG 45 18.794 -12.925 4.598 361 H ASN 46 H ASN 46 16.235 -4.923 9.377 362 HA ASN 46 HA ASN 46 18.087 -3.733 11.280 363 HB2 ASN 46 1HB ASN 46 15.566 -2.634 9.964 364 HB3 ASN 46 2HB ASN 46 16.740 -1.683 10.872 365 HD21 ASN 46 2HD2 ASN 46 18.887 -1.322 9.955 366 HD22 ASN 46 1HD2 ASN 46 19.150 -1.583 8.240 367 H GLY 47 H GLY 47 15.398 -5.664 11.899 368 HA2 GLY 47 1HA GLY 47 14.459 -6.186 13.967 369 HA3 GLY 47 2HA GLY 47 15.095 -4.679 14.671 370 H SER 48 H SER 48 13.625 -3.714 11.879 371 HA SER 48 HA SER 48 11.051 -2.952 13.094 372 HB2 SER 48 1HB SER 48 10.794 -1.826 10.844 373 HB3 SER 48 2HB SER 48 12.177 -1.296 11.815 374 HG SER 48 HG SER 48 12.850 -1.633 9.679 375 H LYS 49 H LYS 49 9.145 -3.180 11.430 376 HA LYS 49 HA LYS 49 9.103 -5.810 10.064 377 HB2 LYS 49 1HB LYS 49 8.303 -5.899 12.538 378 HB3 LYS 49 2HB LYS 49 6.909 -4.978 11.978 379 HG2 LYS 49 1HG LYS 49 6.426 -6.874 10.356 380 HG3 LYS 49 2HG LYS 49 7.700 -7.787 11.169 381 HD2 LYS 49 1HD LYS 49 5.162 -6.683 12.427 382 HD3 LYS 49 2HD LYS 49 5.452 -8.368 12.016 383 HE2 LYS 49 1HE LYS 49 7.093 -6.802 14.042 384 HE3 LYS 49 2HE LYS 49 5.700 -7.793 14.459 385 HZ1 LYS 49 3HZ LYS 49 7.789 -9.008 14.729 386 HZ2 LYS 49 1HZ LYS 49 6.847 -9.733 13.613 387 HZ3 LYS 49 2HZ LYS 49 8.144 -8.864 13.138 388 H ASP 50 H ASP 50 7.278 -6.015 8.584 389 HA ASP 50 HA ASP 50 6.263 -3.431 7.531 390 HB2 ASP 50 1HB ASP 50 6.254 -4.393 5.522 391 HB3 ASP 50 2HB ASP 50 7.109 -5.759 6.212 392 H TYR 51 H TYR 51 4.163 -2.885 7.379 393 HA TYR 51 HA TYR 51 2.073 -4.628 8.575 394 HB2 TYR 51 1HB TYR 51 2.552 -1.700 9.255 395 HB3 TYR 51 2HB TYR 51 1.225 -2.698 9.846 396 HD1 TYR 51 2HD TYR 51 4.823 -1.937 10.054 397 HD2 TYR 51 1HD TYR 51 1.635 -4.353 11.641 398 HE1 TYR 51 2HE TYR 51 6.252 -2.529 11.960 399 HE2 TYR 51 1HE TYR 51 3.034 -4.888 13.635 400 HH TYR 51 HH TYR 51 6.357 -3.588 14.033 401 H GLY 52 H GLY 52 0.243 -4.657 7.431 402 HA2 GLY 52 1HA GLY 52 -1.595 -3.834 6.338 403 HA3 GLY 52 2HA GLY 52 -0.821 -2.253 6.169 404 H LEU 53 H LEU 53 -2.133 -2.485 4.186 405 HA LEU 53 HA LEU 53 -1.558 -4.455 2.255 406 HB2 LEU 53 1HB LEU 53 -3.575 -2.601 2.681 407 HB3 LEU 53 2HB LEU 53 -2.703 -1.805 1.383 408 HG LEU 53 HG LEU 53 -2.839 -4.241 0.251 409 HD11 LEU 53 1HD1 LEU 53 -3.869 -5.262 2.244 410 HD12 LEU 53 2HD1 LEU 53 -5.258 -4.160 2.086 411 HD13 LEU 53 3HD1 LEU 53 -4.954 -5.350 0.835 412 HD21 LEU 53 3HD2 LEU 53 -4.941 -3.650 -0.800 413 HD22 LEU 53 1HD2 LEU 53 -5.225 -2.385 0.432 414 HD23 LEU 53 2HD2 LEU 53 -3.864 -2.231 -0.711 415 H PHE 54 H PHE 54 0.102 -1.525 2.787 416 HA PHE 54 HA PHE 54 1.590 -1.731 0.204 417 HB2 PHE 54 1HB PHE 54 1.172 0.670 2.024 418 HB3 PHE 54 2HB PHE 54 2.068 0.672 0.519 419 HD1 PHE 54 2HD PHE 54 -1.315 0.405 1.990 420 HD2 PHE 54 1HD PHE 54 0.963 0.829 -1.637 421 HE1 PHE 54 2HE PHE 54 -3.378 0.993 0.785 422 HE2 PHE 54 1HE PHE 54 -1.110 1.456 -2.850 423 HZ PHE 54 HZ PHE 54 -3.290 1.528 -1.656 424 H GLN 55 H GLN 55 1.973 -3.111 2.913 425 HA GLN 55 HA GLN 55 3.589 -3.756 4.287 426 HB2 GLN 55 1HB GLN 55 4.804 -3.466 1.530 427 HB3 GLN 55 2HB GLN 55 5.918 -3.915 2.827 428 HG2 GLN 55 1HG GLN 55 4.893 -5.790 1.448 429 HG3 GLN 55 2HG GLN 55 4.898 -5.970 3.192 430 HE21 GLN 55 2HE2 GLN 55 2.957 -6.320 4.194 431 HE22 GLN 55 1HE2 GLN 55 1.406 -5.980 3.475 432 H ILE 56 H ILE 56 3.082 -1.404 5.174 433 HA ILE 56 HA ILE 56 5.214 0.558 4.861 434 HB ILE 56 HB ILE 56 2.872 0.729 6.800 435 HG12 ILE 56 1HG1 ILE 56 2.990 1.266 3.782 436 HG13 ILE 56 2HG1 ILE 56 1.883 0.148 4.603 437 HG21 ILE 56 1HG2 ILE 56 4.680 2.374 6.979 438 HG22 ILE 56 2HG2 ILE 56 4.407 2.851 5.281 439 HG23 ILE 56 3HG2 ILE 56 3.150 3.106 6.519 440 HD11 ILE 56 3HD1 ILE 56 0.582 1.996 3.941 441 HD12 ILE 56 1HD1 ILE 56 0.827 2.205 5.691 442 HD13 ILE 56 2HD1 ILE 56 1.788 3.150 4.521 443 H ASN 57 H ASN 57 6.869 1.017 6.274 444 HA ASN 57 HA ASN 57 7.200 -0.936 8.479 445 HB2 ASN 57 1HB ASN 57 9.239 0.826 7.098 446 HB3 ASN 57 2HB ASN 57 9.586 -0.370 8.349 447 HD21 ASN 57 2HD2 ASN 57 8.329 -2.626 7.733 448 HD22 ASN 57 1HD2 ASN 57 8.719 -3.162 6.097 449 H ASP 58 H ASP 58 7.501 -0.482 10.527 450 HA ASP 58 HA ASP 58 6.784 2.010 11.671 451 HB2 ASP 58 1HB ASP 58 7.223 0.974 13.743 452 HB3 ASP 58 2HB ASP 58 6.552 -0.258 12.680 453 H ARG 59 H ARG 59 9.731 1.167 10.251 454 HA ARG 59 HA ARG 59 11.454 2.937 11.845 455 HB2 ARG 59 1HB ARG 59 12.099 0.729 10.754 456 HB3 ARG 59 2HB ARG 59 12.072 1.572 9.200 457 HG2 ARG 59 1HG ARG 59 13.842 3.109 10.006 458 HG3 ARG 59 2HG ARG 59 13.752 2.377 11.621 459 HD2 ARG 59 1HD ARG 59 14.442 0.187 10.614 460 HD3 ARG 59 2HD ARG 59 14.630 0.994 9.054 461 HE ARG 59 HE ARG 59 16.124 1.727 11.551 462 HH11 ARG 59 1HH1 ARG 59 16.239 1.357 8.012 463 HH12 ARG 59 2HH1 ARG 59 17.930 1.747 7.958 464 HH21 ARG 59 1HH2 ARG 59 18.292 2.218 11.375 465 HH22 ARG 59 2HH2 ARG 59 19.064 2.247 9.820 466 H TYR 60 H TYR 60 9.318 3.313 9.106 467 HA TYR 60 HA TYR 60 10.743 5.826 8.248 468 HB2 TYR 60 1HB TYR 60 9.368 3.756 6.522 469 HB3 TYR 60 2HB TYR 60 10.206 5.185 5.948 470 HD1 TYR 60 2HD TYR 60 12.781 5.088 7.501 471 HD2 TYR 60 1HD TYR 60 10.512 1.938 5.619 472 HE1 TYR 60 2HE TYR 60 14.825 3.687 7.377 473 HE2 TYR 60 1HE TYR 60 12.548 0.532 5.504 474 HH TYR 60 HH TYR 60 14.793 0.383 5.962 475 H TRP 61 H TRP 61 7.480 4.320 8.468 476 HA TRP 61 HA TRP 61 6.318 7.013 7.775 477 HB2 TRP 61 1HB TRP 61 5.524 4.341 6.647 478 HB3 TRP 61 2HB TRP 61 4.806 5.870 6.222 479 HD1 TRP 61 HD TRP 61 7.166 3.434 5.008 480 HE1 TRP 61 1HE TRP 61 8.653 4.346 3.128 481 HE3 TRP 61 3HE TRP 61 6.111 8.417 5.497 482 HZ2 TRP 61 2HZ TRP 61 9.215 6.905 1.908 483 HZ3 TRP 61 3HZ TRP 61 6.962 10.036 3.844 484 HH2 TRP 61 HH TRP 61 8.559 9.308 2.066 485 H CYS 62 H CYS 62 5.497 3.780 9.201 486 HA CYS 62 HA CYS 62 3.310 5.118 10.737 487 HB2 CYS 62 1HB CYS 62 2.660 2.738 11.256 488 HB3 CYS 62 2HB CYS 62 2.464 3.297 9.614 489 H SER 63 H SER 63 2.953 4.310 12.953 490 HA SER 63 HA SER 63 5.490 4.282 14.557 491 HB2 SER 63 1HB SER 63 4.072 6.308 14.796 492 HB3 SER 63 2HB SER 63 2.720 5.278 15.301 493 HG SER 63 HG SER 63 3.684 5.919 17.167 494 H LYS 64 H LYS 64 5.873 2.559 15.809 495 HA LYS 64 HA LYS 64 3.879 0.382 16.024 496 HB2 LYS 64 1HB LYS 64 5.784 -0.890 16.964 497 HB3 LYS 64 2HB LYS 64 6.076 -0.281 15.344 498 HG2 LYS 64 1HG LYS 64 7.598 1.373 16.084 499 HG3 LYS 64 2HG LYS 64 7.022 1.320 17.757 500 HD2 LYS 64 1HD LYS 64 8.016 -0.782 18.179 501 HD3 LYS 64 2HD LYS 64 8.373 -1.058 16.450 502 HE2 LYS 64 1HE LYS 64 9.852 0.952 16.468 503 HE3 LYS 64 2HE LYS 64 9.562 1.139 18.205 504 HZ1 LYS 64 3HZ LYS 64 11.629 -0.058 17.776 505 HZ2 LYS 64 1HZ LYS 64 10.579 -1.066 18.521 506 HZ3 LYS 64 2HZ LYS 64 10.850 -1.205 16.911 507 H GLY 65 H GLY 65 4.651 3.037 17.927 508 HA2 GLY 65 1HA GLY 65 4.612 1.769 20.573 509 HA3 GLY 65 2HA GLY 65 4.707 3.492 20.205 510 H ALA 66 H ALA 66 3.205 3.721 22.002 511 HA ALA 66 HA ALA 66 0.525 2.587 21.853 512 HB1 ALA 66 1HB ALA 66 1.758 2.924 23.976 513 HB2 ALA 66 2HB ALA 66 1.729 4.686 23.714 514 HB3 ALA 66 3HB ALA 66 0.215 3.793 23.971 515 H SER 67 H SER 67 1.732 5.015 19.993 516 HA SER 67 HA SER 67 -0.862 6.354 19.604 517 HB2 SER 67 1HB SER 67 0.190 7.466 21.588 518 HB3 SER 67 2HB SER 67 1.569 7.908 20.569 519 HG SER 67 HG SER 67 -0.008 9.596 20.744 520 HA PRO 68 HA PRO 68 1.029 6.814 15.496 521 HB2 PRO 68 1HB PRO 68 -0.640 8.671 14.375 522 HB3 PRO 68 2HB PRO 68 -1.125 6.969 14.645 523 HG2 PRO 68 1HG PRO 68 -1.697 9.367 16.409 524 HG3 PRO 68 2HG PRO 68 -2.848 8.120 15.824 525 HD2 PRO 68 1HD PRO 68 -1.733 7.971 18.283 526 HD3 PRO 68 2HD PRO 68 -1.986 6.497 17.307 527 H GLY 69 H GLY 69 2.383 8.328 14.393 528 HA2 GLY 69 1HA GLY 69 2.762 11.029 14.755 529 HA3 GLY 69 2HA GLY 69 3.581 10.349 16.148 530 H LYS 70 H LYS 70 3.581 10.801 12.773 531 HA LYS 70 HA LYS 70 6.385 10.589 12.304 532 HB2 LYS 70 1HB LYS 70 4.645 8.215 11.523 533 HB3 LYS 70 2HB LYS 70 5.922 8.707 10.440 534 HG2 LYS 70 1HG LYS 70 7.240 8.638 12.906 535 HG3 LYS 70 2HG LYS 70 6.106 7.289 12.984 536 HD2 LYS 70 1HD LYS 70 7.030 6.352 10.910 537 HD3 LYS 70 2HD LYS 70 8.038 7.783 10.670 538 HE2 LYS 70 1HE LYS 70 9.368 5.926 11.529 539 HE3 LYS 70 2HE LYS 70 9.354 7.281 12.663 540 HZ1 LYS 70 3HZ LYS 70 8.992 5.029 13.669 541 HZ2 LYS 70 1HZ LYS 70 7.803 6.103 14.038 542 HZ3 LYS 70 2HZ LYS 70 7.562 4.933 12.898 543 H ASP 71 H ASP 71 6.595 10.530 9.666 544 HA ASP 71 HA ASP 71 5.503 12.929 8.676 545 HB2 ASP 71 1HB ASP 71 7.531 11.726 7.858 546 HB3 ASP 71 2HB ASP 71 6.488 10.523 7.094 547 H CYS 72 H CYS 72 4.036 9.739 8.653 548 HA CYS 72 HA CYS 72 1.710 10.737 7.051 549 HB2 CYS 72 1HB CYS 72 2.566 7.904 7.701 550 HB3 CYS 72 2HB CYS 72 1.205 8.376 6.692 551 H ASN 73 H ASN 73 2.478 10.503 10.278 552 HA ASN 73 HA ASN 73 1.307 10.299 12.227 553 HB2 ASN 73 1HB ASN 73 -0.579 11.868 10.433 554 HB3 ASN 73 2HB ASN 73 -0.756 11.757 12.183 555 HD21 ASN 73 2HD2 ASN 73 0.595 13.680 9.777 556 HD22 ASN 73 1HD2 ASN 73 1.791 14.488 10.774 557 H VAL 74 H VAL 74 1.215 7.855 11.466 558 HA VAL 74 HA VAL 74 -1.493 6.868 12.102 559 HB VAL 74 HB VAL 74 -1.387 7.121 9.636 560 HG11 VAL 74 1HG1 VAL 74 1.032 6.665 9.264 561 HG12 VAL 74 2HG1 VAL 74 0.763 4.959 9.684 562 HG13 VAL 74 3HG1 VAL 74 -0.014 5.654 8.255 563 HG21 VAL 74 3HG2 VAL 74 -2.298 4.968 9.094 564 HG22 VAL 74 1HG2 VAL 74 -1.525 4.217 10.503 565 HG23 VAL 74 2HG2 VAL 74 -2.818 5.420 10.726 566 H LYS 75 H LYS 75 -1.581 4.853 13.009 567 HA LYS 75 HA LYS 75 0.964 3.863 14.156 568 HB2 LYS 75 1HB LYS 75 -1.179 4.639 15.421 569 HB3 LYS 75 2HB LYS 75 -1.827 3.056 14.991 570 HG2 LYS 75 1HG LYS 75 0.041 1.969 16.210 571 HG3 LYS 75 2HG LYS 75 0.780 3.552 16.483 572 HD2 LYS 75 1HD LYS 75 -0.216 3.013 18.504 573 HD3 LYS 75 2HD LYS 75 -1.263 4.229 17.821 574 HE2 LYS 75 1HE LYS 75 -1.876 1.269 17.451 575 HE3 LYS 75 2HE LYS 75 -2.164 2.035 19.010 576 HZ1 LYS 75 3HZ LYS 75 -4.160 2.127 17.733 577 HZ2 LYS 75 1HZ LYS 75 -3.613 3.654 17.879 578 HZ3 LYS 75 2HZ LYS 75 -3.461 2.842 16.457 579 H CYS 76 H CYS 76 1.772 1.860 13.731 580 HA CYS 76 HA CYS 76 1.273 0.322 11.479 581 HB2 CYS 76 1HB CYS 76 2.243 -0.643 14.204 582 HB3 CYS 76 2HB CYS 76 2.503 -1.456 12.667 583 H SER 77 H SER 77 -0.312 -0.161 14.671 584 HA SER 77 HA SER 77 -1.614 -2.632 13.972 585 HB2 SER 77 1HB SER 77 -1.150 -1.750 16.285 586 HB3 SER 77 2HB SER 77 -2.491 -0.611 16.059 587 HG SER 77 HG SER 77 -3.121 -2.576 17.134 588 H ASP 78 H ASP 78 -2.654 0.785 13.502 589 HA ASP 78 HA ASP 78 -5.362 0.087 12.710 590 HB2 ASP 78 1HB ASP 78 -3.681 2.607 12.420 591 HB3 ASP 78 2HB ASP 78 -5.337 2.471 11.856 592 H LEU 79 H LEU 79 -2.338 -0.292 11.145 593 HA LEU 79 HA LEU 79 -3.433 -0.095 8.411 594 HB2 LEU 79 1HB LEU 79 -0.778 -1.311 9.261 595 HB3 LEU 79 2HB LEU 79 -1.270 -0.753 7.671 596 HG LEU 79 HG LEU 79 -0.694 1.009 10.088 597 HD11 LEU 79 1HD1 LEU 79 1.303 0.128 9.040 598 HD12 LEU 79 2HD1 LEU 79 0.694 0.546 7.424 599 HD13 LEU 79 3HD1 LEU 79 1.133 1.826 8.572 600 HD21 LEU 79 3HD2 LEU 79 -0.971 2.908 8.469 601 HD22 LEU 79 1HD2 LEU 79 -1.629 1.754 7.297 602 HD23 LEU 79 2HD2 LEU 79 -2.493 2.074 8.818 603 H LEU 80 H LEU 80 -3.469 -2.446 10.898 604 HA LEU 80 HA LEU 80 -3.679 -4.740 9.039 605 HB2 LEU 80 1HB LEU 80 -3.600 -4.701 12.069 606 HB3 LEU 80 2HB LEU 80 -3.480 -6.119 11.032 607 HG LEU 80 HG LEU 80 -1.431 -3.887 11.260 608 HD11 LEU 80 1HD1 LEU 80 -1.532 -5.406 13.201 609 HD12 LEU 80 2HD1 LEU 80 -1.390 -6.814 12.124 610 HD13 LEU 80 3HD1 LEU 80 -0.042 -5.676 12.285 611 HD21 LEU 80 3HD2 LEU 80 0.032 -5.333 9.852 612 HD22 LEU 80 1HD2 LEU 80 -1.353 -6.402 9.540 613 HD23 LEU 80 2HD2 LEU 80 -1.369 -4.716 8.970 614 H THR 81 H THR 81 -5.841 -2.564 9.796 615 HA THR 81 HA THR 81 -8.031 -4.200 10.869 616 HB THR 81 HB THR 81 -7.488 -1.891 11.614 617 HG1 THR 81 1HG THR 81 -9.668 -1.403 11.823 618 HG21 THR 81 3HG2 THR 81 -8.049 0.025 10.394 619 HG22 THR 81 1HG2 THR 81 -7.197 -0.966 9.207 620 HG23 THR 81 2HG2 THR 81 -8.967 -0.883 9.166 621 H ASP 82 H ASP 82 -10.259 -3.413 9.722 622 HA ASP 82 HA ASP 82 -10.205 -5.033 7.266 623 HB2 ASP 82 1HB ASP 82 -12.522 -5.314 7.576 624 HB3 ASP 82 2HB ASP 82 -11.769 -5.461 9.159 625 H ASP 83 H ASP 83 -10.056 -1.778 7.784 626 HA ASP 83 HA ASP 83 -10.953 -1.192 4.984 627 HB2 ASP 83 1HB ASP 83 -12.315 -0.011 6.733 628 HB3 ASP 83 2HB ASP 83 -10.854 0.846 7.228 629 H ILE 84 H ILE 84 -9.382 -0.734 3.666 630 HA ILE 84 HA ILE 84 -6.619 -0.745 4.476 631 HB ILE 84 HB ILE 84 -6.099 -0.637 2.156 632 HG12 ILE 84 1HG1 ILE 84 -8.967 0.256 1.612 633 HG13 ILE 84 2HG1 ILE 84 -7.535 1.286 1.571 634 HG21 ILE 84 1HG2 ILE 84 -7.268 -2.730 2.994 635 HG22 ILE 84 2HG2 ILE 84 -8.756 -2.127 2.263 636 HG23 ILE 84 3HG2 ILE 84 -7.356 -2.502 1.250 637 HD11 ILE 84 3HD1 ILE 84 -8.157 0.736 -0.658 638 HD12 ILE 84 1HD1 ILE 84 -6.582 -0.009 -0.262 639 HD13 ILE 84 2HD1 ILE 84 -8.067 -1.001 -0.328 640 H THR 85 H THR 85 -8.831 1.874 4.368 641 HA THR 85 HA THR 85 -7.427 3.931 3.165 642 HB THR 85 HB THR 85 -9.753 4.054 3.821 643 HG1 THR 85 1HG THR 85 -8.022 6.083 4.763 644 HG21 THR 85 3HG2 THR 85 -10.458 4.709 6.024 645 HG22 THR 85 1HG2 THR 85 -9.522 3.215 6.196 646 HG23 THR 85 2HG2 THR 85 -8.787 4.776 6.620 647 H LYS 86 H LYS 86 -6.850 2.806 6.466 648 HA LYS 86 HA LYS 86 -5.213 5.040 7.270 649 HB2 LYS 86 1HB LYS 86 -5.126 2.139 8.194 650 HB3 LYS 86 2HB LYS 86 -4.492 3.528 9.075 651 HG2 LYS 86 1HG LYS 86 -7.439 2.978 8.473 652 HG3 LYS 86 2HG LYS 86 -6.625 2.736 10.007 653 HD2 LYS 86 1HD LYS 86 -6.135 5.188 10.132 654 HD3 LYS 86 2HD LYS 86 -7.059 5.420 8.628 655 HE2 LYS 86 1HE LYS 86 -9.065 4.426 9.706 656 HE3 LYS 86 2HE LYS 86 -8.152 4.193 11.202 657 HZ1 LYS 86 3HZ LYS 86 -9.474 6.220 11.282 658 HZ2 LYS 86 1HZ LYS 86 -7.889 6.609 11.342 659 HZ3 LYS 86 2HZ LYS 86 -8.735 6.827 9.958 660 H ALA 87 H ALA 87 -4.526 2.130 5.419 661 HA ALA 87 HA ALA 87 -1.616 2.691 5.271 662 HB1 ALA 87 1HB ALA 87 -2.614 0.341 5.519 663 HB2 ALA 87 2HB ALA 87 -3.257 0.523 3.869 664 HB3 ALA 87 3HB ALA 87 -1.501 0.559 4.167 665 H ALA 88 H ALA 88 -4.531 2.794 3.207 666 HA ALA 88 HA ALA 88 -3.156 3.439 0.811 667 HB1 ALA 88 1HB ALA 88 -5.489 2.444 1.139 668 HB2 ALA 88 2HB ALA 88 -6.055 4.109 1.444 669 HB3 ALA 88 3HB ALA 88 -5.317 3.668 -0.109 670 H LYS 89 H LYS 89 -4.675 5.689 3.206 671 HA LYS 89 HA LYS 89 -3.931 8.044 1.650 672 HB2 LYS 89 1HB LYS 89 -4.783 7.609 4.524 673 HB3 LYS 89 2HB LYS 89 -4.393 9.204 3.853 674 HG2 LYS 89 1HG LYS 89 -6.106 8.951 2.111 675 HG3 LYS 89 2HG LYS 89 -6.519 7.335 2.717 676 HD2 LYS 89 1HD LYS 89 -7.338 8.260 4.814 677 HD3 LYS 89 2HD LYS 89 -6.718 9.860 4.409 678 HE2 LYS 89 1HE LYS 89 -9.142 9.769 4.106 679 HE3 LYS 89 2HE LYS 89 -8.310 10.120 2.590 680 HZ1 LYS 89 3HZ LYS 89 -10.107 8.459 2.368 681 HZ2 LYS 89 1HZ LYS 89 -8.660 7.848 1.902 682 HZ3 LYS 89 2HZ LYS 89 -9.297 7.420 3.345 683 H CYS 90 H CYS 90 -2.253 6.097 4.050 684 HA CYS 90 HA CYS 90 0.056 7.871 4.326 685 HB2 CYS 90 1HB CYS 90 -0.477 6.221 6.006 686 HB3 CYS 90 2HB CYS 90 -0.351 4.904 4.842 687 H ALA 91 H ALA 91 -0.760 5.138 2.127 688 HA ALA 91 HA ALA 91 1.614 5.189 0.596 689 HB1 ALA 91 1HB ALA 91 -0.149 3.428 0.573 690 HB2 ALA 91 2HB ALA 91 -1.205 4.525 -0.328 691 HB3 ALA 91 3HB ALA 91 0.313 3.978 -1.054 692 H LYS 92 H LYS 92 -1.395 7.232 0.093 693 HA LYS 92 HA LYS 92 -0.311 8.646 -2.127 694 HB2 LYS 92 1HB LYS 92 -2.061 9.915 -0.004 695 HB3 LYS 92 2HB LYS 92 -1.881 10.386 -1.685 696 HG2 LYS 92 1HG LYS 92 -3.352 8.030 -0.531 697 HG3 LYS 92 2HG LYS 92 -3.996 9.363 -1.426 698 HD2 LYS 92 1HD LYS 92 -2.409 7.000 -2.464 699 HD3 LYS 92 2HD LYS 92 -4.086 7.382 -2.760 700 HE2 LYS 92 1HE LYS 92 -1.697 8.947 -3.847 701 HE3 LYS 92 2HE LYS 92 -2.685 7.795 -4.741 702 HZ1 LYS 92 3HZ LYS 92 -3.442 9.953 -5.270 703 HZ2 LYS 92 1HZ LYS 92 -4.611 9.303 -4.340 704 HZ3 LYS 92 2HZ LYS 92 -3.589 10.412 -3.699 705 H LYS 93 H LYS 93 0.102 9.268 1.371 706 HA LYS 93 HA LYS 93 1.692 11.635 1.056 707 HB2 LYS 93 1HB LYS 93 0.383 10.983 3.074 708 HB3 LYS 93 2HB LYS 93 1.524 9.689 3.392 709 HG2 LYS 93 1HG LYS 93 1.877 11.644 4.823 710 HG3 LYS 93 2HG LYS 93 3.310 11.299 3.852 711 HD2 LYS 93 1HD LYS 93 2.921 13.170 2.413 712 HD3 LYS 93 2HD LYS 93 1.240 13.337 2.965 713 HE2 LYS 93 1HE LYS 93 2.352 15.110 4.022 714 HE3 LYS 93 2HE LYS 93 2.157 13.883 5.280 715 HZ1 LYS 93 3HZ LYS 93 4.385 14.759 5.319 716 HZ2 LYS 93 1HZ LYS 93 4.482 13.204 4.831 717 HZ3 LYS 93 2HZ LYS 93 4.635 14.417 3.739 718 H ILE 94 H ILE 94 2.600 8.259 0.870 719 HA ILE 94 HA ILE 94 5.500 8.821 0.770 720 HB ILE 94 HB ILE 94 3.868 6.368 -0.007 721 HG12 ILE 94 1HG1 ILE 94 5.726 6.777 2.354 722 HG13 ILE 94 2HG1 ILE 94 4.012 7.055 2.487 723 HG21 ILE 94 1HG2 ILE 94 5.929 6.427 -1.325 724 HG22 ILE 94 2HG2 ILE 94 6.882 6.832 0.113 725 HG23 ILE 94 3HG2 ILE 94 6.123 5.229 -0.051 726 HD11 ILE 94 3HD1 ILE 94 4.482 4.866 3.346 727 HD12 ILE 94 1HD1 ILE 94 3.567 4.685 1.840 728 HD13 ILE 94 2HD1 ILE 94 5.323 4.383 1.866 729 H TYR 95 H TYR 95 2.930 8.174 -1.648 730 HA TYR 95 HA TYR 95 4.472 8.400 -3.969 731 HB2 TYR 95 1HB TYR 95 2.452 7.493 -4.325 732 HB3 TYR 95 2HB TYR 95 1.600 8.578 -3.247 733 HD1 TYR 95 2HD TYR 95 1.155 11.002 -4.009 734 HD2 TYR 95 1HD TYR 95 2.189 7.763 -6.660 735 HE1 TYR 95 2HE TYR 95 0.202 12.267 -5.929 736 HE2 TYR 95 1HE TYR 95 1.272 9.034 -8.581 737 HH TYR 95 HH TYR 95 0.252 10.979 -9.281 738 H LYS 96 H LYS 96 3.332 11.013 -1.948 739 HA LYS 96 HA LYS 96 3.843 13.283 -3.573 740 HB2 LYS 96 1HB LYS 96 4.163 12.663 -0.614 741 HB3 LYS 96 2HB LYS 96 4.477 14.277 -1.233 742 HG2 LYS 96 1HG LYS 96 1.798 12.868 -1.575 743 HG3 LYS 96 2HG LYS 96 2.193 13.954 -0.241 744 HD2 LYS 96 1HD LYS 96 2.625 15.788 -1.872 745 HD3 LYS 96 2HD LYS 96 2.156 14.704 -3.200 746 HE2 LYS 96 1HE LYS 96 -0.085 14.408 -2.174 747 HE3 LYS 96 2HE LYS 96 0.377 15.476 -0.842 748 HZ1 LYS 96 3HZ LYS 96 -0.875 16.670 -2.537 749 HZ2 LYS 96 1HZ LYS 96 0.640 17.274 -2.461 750 HZ3 LYS 96 2HZ LYS 96 0.211 16.288 -3.695 751 H ARG 97 H ARG 97 6.180 11.085 -2.137 752 HA ARG 97 HA ARG 97 8.468 12.810 -3.044 753 HB2 ARG 97 1HB ARG 97 8.376 10.753 -0.857 754 HB3 ARG 97 2HB ARG 97 9.830 11.542 -1.496 755 HG2 ARG 97 1HG ARG 97 8.691 13.805 -0.975 756 HG3 ARG 97 2HG ARG 97 7.488 12.860 -0.062 757 HD2 ARG 97 1HD ARG 97 9.492 11.761 1.077 758 HD3 ARG 97 2HD ARG 97 10.499 13.008 0.360 759 HE ARG 97 HE ARG 97 9.724 14.568 1.870 760 HH11 ARG 97 1HH1 ARG 97 7.496 11.829 2.085 761 HH12 ARG 97 2HH1 ARG 97 6.921 12.307 3.664 762 HH21 ARG 97 1HH2 ARG 97 8.902 15.143 3.879 763 HH22 ARG 97 2HH2 ARG 97 7.721 14.127 4.667 764 H HIS 98 H HIS 98 7.177 9.485 -2.980 765 HA HIS 98 HA HIS 98 8.795 8.743 -5.383 766 HB2 HIS 98 1HB HIS 98 8.631 7.201 -2.764 767 HB3 HIS 98 2HB HIS 98 9.358 6.598 -4.253 768 HD2 HIS 98 2HD HIS 98 10.154 8.552 -1.163 769 HE1 HIS 98 1HE HIS 98 13.520 9.100 -3.712 770 HE2 HIS 98 2HE HIS 98 12.634 9.420 -1.345 771 H ARG 99 H ARG 99 6.950 8.743 -6.689 772 HA ARG 99 HA ARG 99 4.403 8.011 -6.085 773 HB2 ARG 99 1HB ARG 99 3.907 7.811 -8.364 774 HB3 ARG 99 2HB ARG 99 4.840 9.245 -7.937 775 HG2 ARG 99 1HG ARG 99 6.893 8.197 -8.894 776 HG3 ARG 99 2HG ARG 99 5.936 6.745 -9.320 777 HD2 ARG 99 1HD ARG 99 4.357 8.173 -10.546 778 HD3 ARG 99 2HD ARG 99 5.339 9.594 -10.160 779 HE ARG 99 HE ARG 99 7.060 7.738 -11.415 780 HH11 ARG 99 1HH1 ARG 99 4.237 9.628 -12.405 781 HH12 ARG 99 2HH1 ARG 99 4.725 9.653 -14.072 782 HH21 ARG 99 1HH2 ARG 99 7.632 7.812 -13.582 783 HH22 ARG 99 2HH2 ARG 99 6.623 8.642 -14.726 784 H PHE 100 H PHE 100 6.835 5.750 -7.337 785 HA PHE 100 HA PHE 100 5.261 3.453 -6.280 786 HB2 PHE 100 1HB PHE 100 6.542 3.473 -9.025 787 HB3 PHE 100 2HB PHE 100 5.631 2.175 -8.260 788 HD1 PHE 100 1HD PHE 100 3.160 2.913 -7.439 789 HD2 PHE 100 2HD PHE 100 5.388 4.649 -10.701 790 HE1 PHE 100 1HE PHE 100 1.054 3.687 -8.461 791 HE2 PHE 100 2HE PHE 100 3.268 5.425 -11.727 792 HZ PHE 100 HZ PHE 100 1.104 4.940 -10.611 793 H ASP 101 H ASP 101 8.363 4.954 -6.829 794 HA ASP 101 HA ASP 101 9.982 2.617 -6.844 795 HB2 ASP 101 1HB ASP 101 10.512 4.858 -7.829 796 HB3 ASP 101 2HB ASP 101 10.750 5.486 -6.198 797 H ALA 102 H ALA 102 8.445 4.087 -4.179 798 HA ALA 102 HA ALA 102 10.326 3.295 -2.097 799 HB1 ALA 102 1HB ALA 102 8.733 5.126 -1.754 800 HB2 ALA 102 2HB ALA 102 7.364 4.020 -2.009 801 HB3 ALA 102 3HB ALA 102 8.422 3.825 -0.599 802 H TRP 103 H TRP 103 8.369 1.452 -4.148 803 HA TRP 103 HA TRP 103 8.255 -0.849 -2.232 804 HB2 TRP 103 1HB TRP 103 6.317 -0.019 -4.423 805 HB3 TRP 103 2HB TRP 103 6.210 -1.504 -3.492 806 HD1 TRP 103 HD TRP 103 5.634 -1.284 -0.872 807 HE1 TRP 103 1HE TRP 103 4.245 0.405 0.414 808 HE3 TRP 103 3HE TRP 103 5.788 2.583 -4.215 809 HZ2 TRP 103 2HZ TRP 103 3.124 3.055 -0.041 810 HZ3 TRP 103 3HZ TRP 103 4.548 4.677 -3.773 811 HH2 TRP 103 HH TRP 103 3.163 4.907 -1.721 812 H TYR 104 H TYR 104 9.221 -2.652 -2.791 813 HA TYR 104 HA TYR 104 10.913 -2.584 -5.135 814 HB2 TYR 104 1HB TYR 104 11.451 -3.418 -2.760 815 HB3 TYR 104 2HB TYR 104 10.627 -4.906 -3.216 816 HD1 TYR 104 2HD TYR 104 13.509 -2.696 -3.801 817 HD2 TYR 104 1HD TYR 104 11.631 -6.399 -4.936 818 HE1 TYR 104 2HE TYR 104 15.614 -3.405 -4.949 819 HE2 TYR 104 1HE TYR 104 13.713 -7.109 -6.108 820 HH TYR 104 HH TYR 104 15.877 -6.544 -6.674 821 H GLY 105 H GLY 105 7.976 -4.416 -4.289 822 HA2 GLY 105 1HA GLY 105 8.103 -6.373 -6.376 823 HA3 GLY 105 2HA GLY 105 6.635 -5.820 -5.531 824 H TRP 106 H TRP 106 7.035 -2.988 -6.410 825 HA TRP 106 HA TRP 106 5.763 -3.075 -8.981 826 HB2 TRP 106 1HB TRP 106 5.306 -1.261 -7.523 827 HB3 TRP 106 2HB TRP 106 7.007 -0.812 -7.418 828 HD1 TRP 106 HD TRP 106 4.050 -0.732 -9.869 829 HE1 TRP 106 1HE TRP 106 4.539 0.947 -11.746 830 HE3 TRP 106 3HE TRP 106 8.837 0.520 -8.587 831 HZ2 TRP 106 2HZ TRP 106 6.776 2.578 -12.627 832 HZ3 TRP 106 3HZ TRP 106 10.142 2.101 -9.962 833 HH2 TRP 106 HH TRP 106 9.123 3.147 -11.987 834 H LYS 107 H LYS 107 9.106 -1.996 -8.105 835 HA LYS 107 HA LYS 107 9.886 -1.833 -10.882 836 HB2 LYS 107 1HB LYS 107 12.161 -1.477 -10.024 837 HB3 LYS 107 2HB LYS 107 10.964 -0.400 -9.319 838 HG2 LYS 107 1HG LYS 107 10.886 -1.740 -7.272 839 HG3 LYS 107 2HG LYS 107 12.064 -2.885 -7.932 840 HD2 LYS 107 1HD LYS 107 12.504 0.068 -7.320 841 HD3 LYS 107 2HD LYS 107 13.076 -1.275 -6.341 842 HE2 LYS 107 1HE LYS 107 13.971 -0.652 -9.197 843 HE3 LYS 107 2HE LYS 107 14.853 -0.231 -7.732 844 HZ1 LYS 107 3HZ LYS 107 15.722 -2.260 -8.678 845 HZ2 LYS 107 1HZ LYS 107 15.049 -2.609 -7.232 846 HZ3 LYS 107 2HZ LYS 107 14.270 -3.004 -8.618 847 H ASN 108 H ASN 108 9.779 -4.571 -8.739 848 HA ASN 108 HA ASN 108 11.595 -6.138 -10.437 849 HB2 ASN 108 1HB ASN 108 11.567 -6.196 -7.920 850 HB3 ASN 108 2HB ASN 108 10.022 -7.049 -8.011 851 HD21 ASN 108 2HD2 ASN 108 13.459 -7.195 -9.160 852 HD22 ASN 108 1HD2 ASN 108 13.523 -8.947 -9.171 853 H HIS 109 H HIS 109 8.045 -5.937 -9.995 854 HA HIS 109 HA HIS 109 7.735 -8.088 -12.077 855 HB2 HIS 109 1HB HIS 109 5.953 -7.469 -9.701 856 HB3 HIS 109 2HB HIS 109 5.711 -8.742 -10.888 857 HD2 HIS 109 2HD HIS 109 7.212 -8.174 -7.564 858 HE1 HIS 109 1HE HIS 109 8.905 -11.842 -8.903 859 HE2 HIS 109 2HE HIS 109 8.582 -10.319 -6.888 860 H CYS 110 H CYS 110 6.864 -4.789 -11.418 861 HA CYS 110 HA CYS 110 4.455 -4.949 -13.200 862 HB2 CYS 110 1HB CYS 110 5.212 -2.792 -11.218 863 HB3 CYS 110 2HB CYS 110 3.660 -3.035 -11.998 864 H GLN 111 H GLN 111 7.597 -4.112 -13.613 865 HA GLN 111 HA GLN 111 7.345 -1.444 -14.684 866 HB2 GLN 111 1HB GLN 111 9.659 -1.517 -15.060 867 HB3 GLN 111 2HB GLN 111 9.373 -2.354 -13.545 868 HG2 GLN 111 1HG GLN 111 10.021 -3.637 -16.245 869 HG3 GLN 111 2HG GLN 111 11.111 -3.449 -14.884 870 HE21 GLN 111 2HE2 GLN 111 10.770 -4.808 -12.940 871 HE22 GLN 111 1HE2 GLN 111 9.874 -6.315 -13.148 872 H GLY 112 H GLY 112 7.389 -4.638 -16.253 873 HA2 GLY 112 1HA GLY 112 7.399 -3.420 -18.963 874 HA3 GLY 112 2HA GLY 112 7.564 -5.136 -18.531 875 H SER 113 H SER 113 5.099 -4.962 -16.794 876 HA SER 113 HA SER 113 2.898 -4.798 -18.775 877 HB2 SER 113 1HB SER 113 3.819 -7.391 -17.464 878 HB3 SER 113 2HB SER 113 2.275 -7.172 -18.296 879 HG SER 113 HG SER 113 3.883 -8.118 -19.656 880 H LEU 114 H LEU 114 0.949 -4.402 -17.824 881 HA LEU 114 HA LEU 114 0.632 -4.745 -14.880 882 HB2 LEU 114 1HB LEU 114 -0.236 -2.500 -16.754 883 HB3 LEU 114 2HB LEU 114 -0.802 -2.655 -15.101 884 HG LEU 114 HG LEU 114 2.138 -2.312 -15.837 885 HD11 LEU 114 1HD1 LEU 114 0.794 -0.385 -16.515 886 HD12 LEU 114 2HD1 LEU 114 0.082 -0.281 -14.886 887 HD13 LEU 114 3HD1 LEU 114 1.823 0.017 -15.126 888 HD21 LEU 114 3HD2 LEU 114 2.307 -1.671 -13.403 889 HD22 LEU 114 1HD2 LEU 114 0.633 -2.225 -13.182 890 HD23 LEU 114 2HD2 LEU 114 1.900 -3.374 -13.652 891 HA PRO 115 HA PRO 115 -3.036 -7.030 -15.795 892 HB2 PRO 115 1HB PRO 115 -4.617 -6.572 -13.618 893 HB3 PRO 115 2HB PRO 115 -3.092 -7.514 -13.531 894 HG2 PRO 115 1HG PRO 115 -3.510 -4.572 -12.887 895 HG3 PRO 115 2HG PRO 115 -2.695 -5.822 -11.885 896 HD2 PRO 115 1HD PRO 115 -1.270 -4.167 -13.486 897 HD3 PRO 115 2HD PRO 115 -0.831 -5.901 -13.338 898 H ASP 116 H ASP 116 -5.225 -6.894 -16.435 899 HA ASP 116 HA ASP 116 -6.209 -4.279 -17.319 900 HB2 ASP 116 1HB ASP 116 -6.450 -6.205 -18.777 901 HB3 ASP 116 2HB ASP 116 -7.317 -7.096 -17.523 902 H ILE 117 H ILE 117 -7.918 -3.239 -16.597 903 HA ILE 117 HA ILE 117 -9.411 -4.083 -14.141 904 HB ILE 117 HB ILE 117 -9.237 -1.796 -13.272 905 HG12 ILE 117 1HG1 ILE 117 -7.222 -1.244 -15.504 906 HG13 ILE 117 2HG1 ILE 117 -8.896 -0.702 -15.544 907 HG21 ILE 117 1HG2 ILE 117 -7.608 -3.550 -12.557 908 HG22 ILE 117 2HG2 ILE 117 -6.451 -2.937 -13.757 909 HG23 ILE 117 3HG2 ILE 117 -6.974 -1.908 -12.411 910 HD11 ILE 117 3HD1 ILE 117 -7.516 1.093 -14.811 911 HD12 ILE 117 1HD1 ILE 117 -8.565 0.572 -13.473 912 HD13 ILE 117 2HD1 ILE 117 -6.840 0.106 -13.496 913 H SER 118 H SER 118 -9.704 -3.226 -17.334 914 HA SER 118 HA SER 118 -11.717 -1.204 -17.255 915 HB2 SER 118 1HB SER 118 -12.071 -1.700 -19.616 916 HB3 SER 118 2HB SER 118 -10.355 -1.578 -19.219 917 HG SER 118 HG SER 118 -10.167 -3.812 -19.324 918 H SER 119 H SER 119 -12.127 -4.561 -16.560 919 HA SER 119 HA SER 119 -15.030 -4.593 -16.970 920 HB2 SER 119 1HB SER 119 -13.178 -6.466 -15.450 921 HB3 SER 119 2HB SER 119 -14.882 -6.760 -15.818 922 HG SER 119 HG SER 119 -13.482 -7.787 -17.337 923 H CYS 120 H CYS 120 -13.076 -3.098 -14.608 924 HA CYS 120 HA CYS 120 -14.872 -3.600 -12.319 925 HB2 CYS 120 1HB CYS 120 -12.328 -1.971 -12.506 926 HB3 CYS 120 2HB CYS 120 -13.143 -2.486 -11.035 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -9.246 -7.463 10.242 2 H2 GLY 1 2H GLY 1 -8.048 -8.574 10.455 3 H3 GLY 1 3H GLY 1 -7.744 -6.977 10.722 4 HA2 GLY 1 1HA GLY 1 -8.143 -6.463 8.418 5 HA3 GLY 1 2HA GLY 1 -6.787 -7.577 8.635 6 H LYS 2 H LYS 2 -7.874 -7.469 6.224 7 HA LYS 2 HA LYS 2 -9.229 -10.024 5.747 8 HB2 LYS 2 1HB LYS 2 -11.178 -9.046 4.686 9 HB3 LYS 2 2HB LYS 2 -11.080 -8.482 6.354 10 HG2 LYS 2 1HG LYS 2 -10.112 -6.324 5.584 11 HG3 LYS 2 2HG LYS 2 -10.201 -6.876 3.909 12 HD2 LYS 2 1HD LYS 2 -12.610 -6.542 5.738 13 HD3 LYS 2 2HD LYS 2 -12.031 -5.332 4.583 14 HE2 LYS 2 1HE LYS 2 -12.339 -6.943 2.716 15 HE3 LYS 2 2HE LYS 2 -12.970 -8.141 3.854 16 HZ1 LYS 2 3HZ LYS 2 -14.760 -6.928 2.766 17 HZ2 LYS 2 1HZ LYS 2 -14.785 -6.605 4.366 18 HZ3 LYS 2 2HZ LYS 2 -14.201 -5.494 3.315 19 H THR 3 H THR 3 -9.522 -10.486 3.456 20 HA THR 3 HA THR 3 -7.427 -9.225 1.752 21 HB THR 3 HB THR 3 -8.646 -11.961 1.314 22 HG1 THR 3 1HG THR 3 -6.853 -12.744 2.424 23 HG21 THR 3 3HG2 THR 3 -6.465 -12.284 0.104 24 HG22 THR 3 1HG2 THR 3 -7.430 -10.981 -0.606 25 HG23 THR 3 2HG2 THR 3 -6.054 -10.587 0.444 26 H PHE 4 H PHE 4 -7.909 -8.294 -0.076 27 HA PHE 4 HA PHE 4 -10.738 -8.100 -0.980 28 HB2 PHE 4 1HB PHE 4 -8.265 -6.406 -1.492 29 HB3 PHE 4 2HB PHE 4 -9.778 -6.135 -2.308 30 HD1 PHE 4 1HD PHE 4 -8.237 -6.228 1.128 31 HD2 PHE 4 2HD PHE 4 -11.471 -4.766 -1.332 32 HE1 PHE 4 1HE PHE 4 -9.082 -4.881 3.024 33 HE2 PHE 4 2HE PHE 4 -12.310 -3.431 0.570 34 HZ PHE 4 HZ PHE 4 -11.132 -3.498 2.762 35 H THR 5 H THR 5 -11.195 -8.179 -3.203 36 HA THR 5 HA THR 5 -9.430 -9.897 -4.908 37 HB THR 5 HB THR 5 -11.744 -10.702 -4.601 38 HG1 THR 5 1HG THR 5 -11.936 -11.092 -6.805 39 HG21 THR 5 3HG2 THR 5 -13.607 -9.626 -5.709 40 HG22 THR 5 1HG2 THR 5 -12.934 -8.465 -4.557 41 HG23 THR 5 2HG2 THR 5 -12.583 -8.306 -6.296 42 H ARG 6 H ARG 6 -9.235 -9.126 -7.235 43 HA ARG 6 HA ARG 6 -8.061 -6.553 -7.198 44 HB2 ARG 6 1HB ARG 6 -7.520 -8.384 -8.791 45 HB3 ARG 6 2HB ARG 6 -9.010 -8.039 -9.677 46 HG2 ARG 6 1HG ARG 6 -8.225 -5.738 -10.142 47 HG3 ARG 6 2HG ARG 6 -6.773 -6.008 -9.166 48 HD2 ARG 6 1HD ARG 6 -7.509 -7.528 -11.699 49 HD3 ARG 6 2HD ARG 6 -6.377 -6.172 -11.613 50 HE ARG 6 HE ARG 6 -5.162 -7.696 -9.844 51 HH11 ARG 6 1HH1 ARG 6 -6.735 -9.046 -12.728 52 HH12 ARG 6 2HH1 ARG 6 -5.610 -10.368 -12.804 53 HH21 ARG 6 1HH2 ARG 6 -3.678 -9.251 -10.119 54 HH22 ARG 6 2HH2 ARG 6 -3.906 -10.511 -11.315 55 H CYS 7 H CYS 7 -11.273 -7.474 -8.549 56 HA CYS 7 HA CYS 7 -12.066 -4.860 -9.369 57 HB2 CYS 7 1HB CYS 7 -13.820 -7.128 -8.350 58 HB3 CYS 7 2HB CYS 7 -14.347 -5.749 -9.313 59 H GLY 8 H GLY 8 -12.314 -6.397 -6.171 60 HA2 GLY 8 1HA GLY 8 -13.845 -4.286 -4.904 61 HA3 GLY 8 2HA GLY 8 -12.892 -5.555 -4.091 62 H LEU 9 H LEU 9 -10.324 -5.058 -5.003 63 HA LEU 9 HA LEU 9 -9.427 -2.804 -3.514 64 HB2 LEU 9 1HB LEU 9 -8.141 -4.890 -3.974 65 HB3 LEU 9 2HB LEU 9 -8.062 -4.471 -5.686 66 HG LEU 9 HG LEU 9 -6.791 -2.423 -5.131 67 HD11 LEU 9 1HD1 LEU 9 -7.573 -1.897 -2.903 68 HD12 LEU 9 2HD1 LEU 9 -7.021 -3.463 -2.284 69 HD13 LEU 9 3HD1 LEU 9 -5.841 -2.220 -2.793 70 HD21 LEU 9 3HD2 LEU 9 -4.701 -3.506 -4.639 71 HD22 LEU 9 1HD2 LEU 9 -5.529 -4.884 -3.876 72 HD23 LEU 9 2HD2 LEU 9 -5.660 -4.611 -5.631 73 H VAL 10 H VAL 10 -9.687 -3.195 -7.097 74 HA VAL 10 HA VAL 10 -8.868 -0.609 -7.865 75 HB VAL 10 HB VAL 10 -10.983 -2.452 -9.042 76 HG11 VAL 10 1HG1 VAL 10 -11.725 -0.340 -9.845 77 HG12 VAL 10 2HG1 VAL 10 -10.078 0.250 -10.085 78 HG13 VAL 10 3HG1 VAL 10 -10.737 -1.001 -11.149 79 HG21 VAL 10 3HG2 VAL 10 -9.307 -2.845 -10.779 80 HG22 VAL 10 1HG2 VAL 10 -8.207 -1.672 -10.031 81 HG23 VAL 10 2HG2 VAL 10 -8.601 -3.182 -9.199 82 H HIS 11 H HIS 11 -12.124 -1.653 -6.801 83 HA HIS 11 HA HIS 11 -13.353 0.962 -6.974 84 HB2 HIS 11 1HB HIS 11 -14.102 -1.566 -5.462 85 HB3 HIS 11 2HB HIS 11 -15.090 -0.118 -5.491 86 HD2 HIS 11 2HD HIS 11 -13.710 -0.492 -8.934 87 HE1 HIS 11 1HE HIS 11 -17.440 -2.540 -9.008 88 HE2 HIS 11 2HE HIS 11 -15.587 -1.575 -10.447 89 H GLU 12 H GLU 12 -11.864 -0.780 -4.227 90 HA GLU 12 HA GLU 12 -12.545 1.103 -2.207 91 HB2 GLU 12 1HB GLU 12 -11.512 -1.374 -2.178 92 HB3 GLU 12 2HB GLU 12 -10.001 -0.504 -2.048 93 HG2 GLU 12 1HG GLU 12 -10.917 -1.193 0.126 94 HG3 GLU 12 2HG GLU 12 -10.800 0.572 0.003 95 H LEU 13 H LEU 13 -9.658 0.883 -4.282 96 HA LEU 13 HA LEU 13 -8.377 3.250 -3.202 97 HB2 LEU 13 1HB LEU 13 -8.069 1.781 -5.834 98 HB3 LEU 13 2HB LEU 13 -6.917 2.953 -5.200 99 HG LEU 13 HG LEU 13 -7.601 0.327 -3.867 100 HD11 LEU 13 1HD1 LEU 13 -6.465 0.003 -5.997 101 HD12 LEU 13 2HD1 LEU 13 -5.208 1.179 -5.531 102 HD13 LEU 13 3HD1 LEU 13 -5.354 -0.367 -4.660 103 HD21 LEU 13 3HD2 LEU 13 -5.643 0.718 -2.477 104 HD22 LEU 13 1HD2 LEU 13 -5.409 2.325 -3.231 105 HD23 LEU 13 2HD2 LEU 13 -6.844 1.989 -2.232 106 H ARG 14 H ARG 14 -10.500 2.710 -6.026 107 HA ARG 14 HA ARG 14 -10.483 5.392 -7.025 108 HB2 ARG 14 1HB ARG 14 -12.574 3.209 -7.088 109 HB3 ARG 14 2HB ARG 14 -12.906 4.807 -7.752 110 HG2 ARG 14 1HG ARG 14 -11.189 4.639 -9.398 111 HG3 ARG 14 2HG ARG 14 -10.517 3.176 -8.659 112 HD2 ARG 14 1HD ARG 14 -12.533 1.918 -9.148 113 HD3 ARG 14 2HD ARG 14 -13.328 3.368 -9.809 114 HE ARG 14 HE ARG 14 -10.935 2.957 -11.245 115 HH11 ARG 14 1HH1 ARG 14 -14.092 1.378 -10.882 116 HH12 ARG 14 2HH1 ARG 14 -13.909 0.482 -12.377 117 HH21 ARG 14 1HH2 ARG 14 -10.853 1.793 -13.236 118 HH22 ARG 14 2HH2 ARG 14 -12.177 0.735 -13.646 119 H LYS 15 H LYS 15 -12.487 3.970 -4.389 120 HA LYS 15 HA LYS 15 -13.879 6.443 -3.749 121 HB2 LYS 15 1HB LYS 15 -13.298 3.915 -2.167 122 HB3 LYS 15 2HB LYS 15 -14.278 5.241 -1.547 123 HG2 LYS 15 1HG LYS 15 -15.903 4.985 -3.358 124 HG3 LYS 15 2HG LYS 15 -14.962 3.684 -4.081 125 HD2 LYS 15 1HD LYS 15 -16.253 3.622 -1.316 126 HD3 LYS 15 2HD LYS 15 -16.877 2.829 -2.772 127 HE2 LYS 15 1HE LYS 15 -14.804 1.453 -2.912 128 HE3 LYS 15 2HE LYS 15 -14.193 2.234 -1.447 129 HZ1 LYS 15 3HZ LYS 15 -15.151 0.134 -0.906 130 HZ2 LYS 15 1HZ LYS 15 -16.070 1.303 -0.232 131 HZ3 LYS 15 2HZ LYS 15 -16.606 0.524 -1.576 132 H HIS 16 H HIS 16 -10.837 4.993 -2.575 133 HA HIS 16 HA HIS 16 -10.450 7.034 -0.562 134 HB2 HIS 16 1HB HIS 16 -8.718 4.731 -1.533 135 HB3 HIS 16 2HB HIS 16 -8.308 5.790 -0.183 136 HD2 HIS 16 2HD HIS 16 -8.411 3.118 0.874 137 HE1 HIS 16 1HE HIS 16 -12.519 3.460 1.858 138 HE2 HIS 16 2HE HIS 16 -10.414 2.166 2.327 139 H GLY 17 H GLY 17 -9.836 7.254 -3.863 140 HA2 GLY 17 1HA GLY 17 -9.286 9.394 -4.754 141 HA3 GLY 17 2HA GLY 17 -8.250 9.744 -3.356 142 H PHE 18 H PHE 18 -8.172 6.798 -5.370 143 HA PHE 18 HA PHE 18 -5.422 7.468 -6.320 144 HB2 PHE 18 1HB PHE 18 -6.978 4.895 -6.131 145 HB3 PHE 18 2HB PHE 18 -5.421 5.033 -6.922 146 HD1 PHE 18 2HD PHE 18 -6.986 5.843 -3.542 147 HD2 PHE 18 1HD PHE 18 -3.545 4.435 -5.706 148 HE1 PHE 18 2HE PHE 18 -5.803 5.520 -1.431 149 HE2 PHE 18 1HE PHE 18 -2.364 4.034 -3.564 150 HZ PHE 18 HZ PHE 18 -3.482 4.573 -1.417 151 H GLU 19 H GLU 19 -5.019 7.662 -8.535 152 HA GLU 19 HA GLU 19 -7.305 8.393 -10.155 153 HB2 GLU 19 1HB GLU 19 -4.412 8.161 -11.050 154 HB3 GLU 19 2HB GLU 19 -5.737 9.035 -11.840 155 HG2 GLU 19 1HG GLU 19 -5.902 10.420 -9.688 156 HG3 GLU 19 2HG GLU 19 -4.346 9.699 -9.242 157 H GLU 20 H GLU 20 -8.184 7.431 -11.949 158 HA GLU 20 HA GLU 20 -8.095 4.588 -12.120 159 HB2 GLU 20 1HB GLU 20 -9.552 4.811 -14.033 160 HB3 GLU 20 2HB GLU 20 -10.110 5.718 -12.642 161 HG2 GLU 20 1HG GLU 20 -8.513 7.156 -14.784 162 HG3 GLU 20 2HG GLU 20 -10.178 6.694 -15.085 163 H ASN 21 H ASN 21 -6.110 6.987 -13.757 164 HA ASN 21 HA ASN 21 -5.140 5.057 -15.746 165 HB2 ASN 21 1HB ASN 21 -3.853 6.804 -16.625 166 HB3 ASN 21 2HB ASN 21 -5.431 7.487 -16.268 167 HD21 ASN 21 2HD2 ASN 21 -2.638 8.735 -16.528 168 HD22 ASN 21 1HD2 ASN 21 -2.457 9.635 -15.033 169 H LEU 22 H LEU 22 -4.297 5.921 -12.471 170 HA LEU 22 HA LEU 22 -1.653 4.526 -12.686 171 HB2 LEU 22 1HB LEU 22 -2.959 6.014 -10.373 172 HB3 LEU 22 2HB LEU 22 -1.350 5.299 -10.373 173 HG LEU 22 HG LEU 22 -2.285 7.687 -11.989 174 HD11 LEU 22 1HD1 LEU 22 -1.844 8.096 -9.595 175 HD12 LEU 22 2HD1 LEU 22 -0.221 7.391 -9.765 176 HD13 LEU 22 3HD1 LEU 22 -0.634 8.896 -10.613 177 HD21 LEU 22 3HD2 LEU 22 0.080 7.908 -12.751 178 HD22 LEU 22 1HD2 LEU 22 0.441 6.317 -12.052 179 HD23 LEU 22 2HD2 LEU 22 -0.702 6.468 -13.406 180 H MET 23 H MET 23 -4.914 3.906 -11.807 181 HA MET 23 HA MET 23 -4.836 2.211 -9.699 182 HB2 MET 23 1HB MET 23 -6.783 3.075 -11.126 183 HB3 MET 23 2HB MET 23 -6.558 1.677 -12.145 184 HG2 MET 23 1HG MET 23 -8.350 1.329 -10.490 185 HG3 MET 23 2HG MET 23 -7.037 0.186 -10.227 186 HE1 MET 23 3HE MET 23 -8.104 3.866 -7.688 187 HE2 MET 23 1HE MET 23 -6.845 4.087 -8.926 188 HE3 MET 23 2HE MET 23 -8.480 3.585 -9.394 189 H ARG 24 H ARG 24 -4.193 1.093 -13.067 190 HA ARG 24 HA ARG 24 -3.754 -1.638 -12.561 191 HB2 ARG 24 1HB ARG 24 -2.206 0.135 -14.514 192 HB3 ARG 24 2HB ARG 24 -2.332 -1.626 -14.555 193 HG2 ARG 24 1HG ARG 24 -4.815 -1.386 -14.890 194 HG3 ARG 24 2HG ARG 24 -4.577 0.371 -14.993 195 HD2 ARG 24 1HD ARG 24 -4.687 -0.433 -17.227 196 HD3 ARG 24 2HD ARG 24 -2.996 -0.006 -16.908 197 HE ARG 24 HE ARG 24 -3.581 -2.801 -16.344 198 HH11 ARG 24 1HH1 ARG 24 -2.889 -0.663 -19.080 199 HH12 ARG 24 2HH1 ARG 24 -2.304 -1.971 -20.063 200 HH21 ARG 24 1HH2 ARG 24 -2.779 -4.422 -17.639 201 HH22 ARG 24 2HH2 ARG 24 -2.256 -4.074 -19.258 202 H ASN 25 H ASN 25 -1.346 1.026 -12.418 203 HA ASN 25 HA ASN 25 0.913 -0.557 -11.648 204 HB2 ASN 25 1HB ASN 25 0.406 2.376 -11.022 205 HB3 ASN 25 2HB ASN 25 1.959 1.556 -11.101 206 HD21 ASN 25 2HD2 ASN 25 2.953 1.274 -13.181 207 HD22 ASN 25 1HD2 ASN 25 2.229 1.942 -14.629 208 H TRP 26 H TRP 26 -1.509 1.275 -9.719 209 HA TRP 26 HA TRP 26 -0.365 0.701 -7.169 210 HB2 TRP 26 1HB TRP 26 -3.094 1.622 -8.110 211 HB3 TRP 26 2HB TRP 26 -2.776 1.274 -6.419 212 HD1 TRP 26 HD TRP 26 -2.693 4.092 -8.703 213 HE1 TRP 26 1HE TRP 26 -1.480 6.084 -7.654 214 HE3 TRP 26 3HE TRP 26 -0.243 1.645 -4.932 215 HZ2 TRP 26 2HZ TRP 26 0.155 6.595 -5.307 216 HZ3 TRP 26 3HZ TRP 26 1.122 2.904 -3.296 217 HH2 TRP 26 HH TRP 26 1.311 5.379 -3.455 218 H VAL 27 H VAL 27 -3.168 -0.955 -8.807 219 HA VAL 27 HA VAL 27 -3.404 -2.813 -6.631 220 HB VAL 27 HB VAL 27 -4.827 -4.202 -7.894 221 HG11 VAL 27 1HG1 VAL 27 -5.621 -1.957 -7.090 222 HG12 VAL 27 2HG1 VAL 27 -5.462 -1.371 -8.757 223 HG13 VAL 27 3HG1 VAL 27 -6.576 -2.695 -8.382 224 HG21 VAL 27 3HG2 VAL 27 -5.347 -3.849 -10.293 225 HG22 VAL 27 1HG2 VAL 27 -3.973 -2.728 -10.407 226 HG23 VAL 27 2HG2 VAL 27 -3.705 -4.440 -10.010 227 H CYS 28 H CYS 28 -1.394 -2.960 -9.581 228 HA CYS 28 HA CYS 28 -0.543 -5.680 -9.130 229 HB2 CYS 28 1HB CYS 28 -0.504 -4.267 -11.240 230 HB3 CYS 28 2HB CYS 28 0.977 -3.535 -10.642 231 H LEU 29 H LEU 29 0.927 -2.521 -8.214 232 HA LEU 29 HA LEU 29 3.156 -3.488 -6.745 233 HB2 LEU 29 1HB LEU 29 2.794 -1.183 -7.397 234 HB3 LEU 29 2HB LEU 29 1.373 -1.032 -6.384 235 HG LEU 29 HG LEU 29 4.167 -1.518 -5.268 236 HD11 LEU 29 1HD1 LEU 29 4.024 0.599 -6.603 237 HD12 LEU 29 2HD1 LEU 29 2.637 1.104 -5.614 238 HD13 LEU 29 3HD1 LEU 29 4.241 0.907 -4.882 239 HD21 LEU 29 3HD2 LEU 29 3.148 -0.421 -3.213 240 HD22 LEU 29 1HD2 LEU 29 1.558 -0.583 -3.979 241 HD23 LEU 29 2HD2 LEU 29 2.518 -2.020 -3.554 242 H VAL 30 H VAL 30 -0.153 -2.758 -5.547 243 HA VAL 30 HA VAL 30 0.250 -3.698 -2.908 244 HB VAL 30 HB VAL 30 -2.226 -3.426 -4.626 245 HG11 VAL 30 1HG1 VAL 30 -2.832 -5.186 -3.059 246 HG12 VAL 30 2HG1 VAL 30 -2.133 -4.267 -1.712 247 HG13 VAL 30 3HG1 VAL 30 -3.583 -3.678 -2.554 248 HG21 VAL 30 3HG2 VAL 30 -2.663 -1.497 -3.176 249 HG22 VAL 30 1HG2 VAL 30 -1.255 -1.896 -2.166 250 HG23 VAL 30 2HG2 VAL 30 -1.027 -1.356 -3.836 251 H GLU 31 H GLU 31 -0.901 -5.569 -5.778 252 HA GLU 31 HA GLU 31 -1.280 -8.027 -4.381 253 HB2 GLU 31 1HB GLU 31 -0.702 -7.321 -7.282 254 HB3 GLU 31 2HB GLU 31 -0.832 -9.008 -6.762 255 HG2 GLU 31 1HG GLU 31 -3.067 -8.736 -5.999 256 HG3 GLU 31 2HG GLU 31 -3.020 -6.981 -6.185 257 H HIS 32 H HIS 32 1.681 -6.719 -5.922 258 HA HIS 32 HA HIS 32 3.208 -9.107 -5.206 259 HB2 HIS 32 1HB HIS 32 3.810 -6.467 -6.516 260 HB3 HIS 32 2HB HIS 32 5.090 -7.629 -6.115 261 HD2 HIS 32 2HD HIS 32 3.057 -6.758 -8.977 262 HE1 HIS 32 1HE HIS 32 3.611 -10.943 -9.476 263 HE2 HIS 32 2HE HIS 32 2.848 -8.797 -10.621 264 H GLU 33 H GLU 33 2.424 -6.232 -3.470 265 HA GLU 33 HA GLU 33 4.646 -6.610 -1.534 266 HB2 GLU 33 1HB GLU 33 2.445 -4.541 -1.792 267 HB3 GLU 33 2HB GLU 33 3.483 -4.639 -0.381 268 HG2 GLU 33 1HG GLU 33 4.455 -4.199 -3.236 269 HG3 GLU 33 2HG GLU 33 4.255 -2.951 -2.012 270 H SER 34 H SER 34 0.987 -6.515 -1.245 271 HA SER 34 HA SER 34 1.301 -8.059 1.308 272 HB2 SER 34 1HB SER 34 -0.779 -7.030 1.979 273 HB3 SER 34 2HB SER 34 0.355 -5.769 1.488 274 HG SER 34 HG SER 34 -0.985 -5.204 -0.020 275 H SER 35 H SER 35 0.257 -8.506 -1.872 276 HA SER 35 HA SER 35 -1.107 -9.932 -2.962 277 HB2 SER 35 1HB SER 35 -1.729 -11.497 -0.473 278 HB3 SER 35 2HB SER 35 -1.701 -12.035 -2.148 279 HG SER 35 HG SER 35 0.622 -11.786 -2.088 280 H ARG 36 H ARG 36 -2.186 -7.536 -1.415 281 HA ARG 36 HA ARG 36 -4.130 -6.438 -1.291 282 HB2 ARG 36 1HB ARG 36 -5.767 -8.792 -2.251 283 HB3 ARG 36 2HB ARG 36 -6.123 -7.071 -2.345 284 HG2 ARG 36 1HG ARG 36 -4.146 -6.878 -3.963 285 HG3 ARG 36 2HG ARG 36 -4.107 -8.631 -3.999 286 HD2 ARG 36 1HD ARG 36 -6.591 -7.016 -4.696 287 HD3 ARG 36 2HD ARG 36 -5.426 -7.587 -5.881 288 HE ARG 36 HE ARG 36 -7.040 -9.338 -4.061 289 HH11 ARG 36 1HH1 ARG 36 -5.511 -8.990 -7.283 290 HH12 ARG 36 2HH1 ARG 36 -5.953 -10.619 -7.705 291 HH21 ARG 36 1HH2 ARG 36 -7.488 -11.391 -4.698 292 HH22 ARG 36 2HH2 ARG 36 -7.093 -11.932 -6.300 293 H ASP 37 H ASP 37 -3.059 -8.014 0.881 294 HA ASP 37 HA ASP 37 -5.518 -8.617 2.514 295 HB2 ASP 37 1HB ASP 37 -4.348 -10.684 2.026 296 HB3 ASP 37 2HB ASP 37 -2.817 -9.984 2.536 297 H THR 38 H THR 38 -5.842 -7.198 4.095 298 HA THR 38 HA THR 38 -3.804 -5.261 4.808 299 HB THR 38 HB THR 38 -5.285 -4.453 6.566 300 HG1 THR 38 1HG THR 38 -7.236 -5.314 6.878 301 HG21 THR 38 3HG2 THR 38 -7.162 -3.703 5.188 302 HG22 THR 38 1HG2 THR 38 -5.633 -3.587 4.311 303 HG23 THR 38 2HG2 THR 38 -6.773 -4.916 3.956 304 H SER 39 H SER 39 -4.648 -8.427 6.140 305 HA SER 39 HA SER 39 -3.379 -7.970 8.722 306 HB2 SER 39 1HB SER 39 -4.274 -10.505 7.304 307 HB3 SER 39 2HB SER 39 -3.690 -10.417 8.964 308 HG SER 39 HG SER 39 -5.975 -10.382 8.861 309 H LYS 40 H LYS 40 -1.971 -8.352 5.667 310 HA LYS 40 HA LYS 40 0.046 -10.291 6.292 311 HB2 LYS 40 1HB LYS 40 -0.875 -9.626 3.995 312 HB3 LYS 40 2HB LYS 40 0.084 -8.166 4.112 313 HG2 LYS 40 1HG LYS 40 1.318 -9.731 2.792 314 HG3 LYS 40 2HG LYS 40 2.165 -9.571 4.300 315 HD2 LYS 40 1HD LYS 40 2.107 -11.902 3.514 316 HD3 LYS 40 2HD LYS 40 1.309 -11.739 5.066 317 HE2 LYS 40 1HE LYS 40 0.034 -13.246 3.681 318 HE3 LYS 40 2HE LYS 40 -0.917 -11.788 3.955 319 HZ1 LYS 40 3HZ LYS 40 -0.962 -12.558 1.635 320 HZ2 LYS 40 1HZ LYS 40 -0.360 -11.047 1.722 321 HZ3 LYS 40 2HZ LYS 40 0.643 -12.322 1.476 322 H THR 41 H THR 41 2.200 -10.080 6.762 323 HA THR 41 HA THR 41 3.485 -7.482 7.164 324 HB THR 41 HB THR 41 4.404 -8.105 9.353 325 HG1 THR 41 1HG THR 41 2.385 -10.094 9.434 326 HG21 THR 41 3HG2 THR 41 2.634 -7.539 10.806 327 HG22 THR 41 1HG2 THR 41 2.468 -6.590 9.334 328 HG23 THR 41 2HG2 THR 41 1.392 -7.983 9.596 329 H ASN 42 H ASN 42 5.717 -7.584 7.469 330 HA ASN 42 HA ASN 42 7.118 -10.119 6.960 331 HB2 ASN 42 1HB ASN 42 7.082 -7.743 5.047 332 HB3 ASN 42 2HB ASN 42 8.442 -8.846 5.110 333 HD21 ASN 42 2HD2 ASN 42 5.184 -8.428 3.934 334 HD22 ASN 42 1HD2 ASN 42 5.121 -9.972 3.091 335 H THR 43 H THR 43 9.023 -10.194 8.066 336 HA THR 43 HA THR 43 9.904 -7.834 9.622 337 HB THR 43 HB THR 43 11.057 -10.643 9.679 338 HG1 THR 43 1HG THR 43 9.550 -11.128 11.184 339 HG21 THR 43 3HG2 THR 43 11.496 -10.020 12.078 340 HG22 THR 43 1HG2 THR 43 12.387 -9.008 10.942 341 HG23 THR 43 2HG2 THR 43 10.925 -8.374 11.729 342 H ASN 44 H ASN 44 11.975 -6.982 9.569 343 HA ASN 44 HA ASN 44 13.598 -7.498 7.104 344 HB2 ASN 44 1HB ASN 44 13.288 -4.950 8.739 345 HB3 ASN 44 2HB ASN 44 14.260 -5.135 7.283 346 HD21 ASN 44 2HD2 ASN 44 10.973 -4.995 8.539 347 HD22 ASN 44 1HD2 ASN 44 10.206 -4.601 6.985 348 H ARG 45 H ARG 45 15.889 -7.175 7.273 349 HA ARG 45 HA ARG 45 17.113 -8.575 9.422 350 HB2 ARG 45 1HB ARG 45 18.444 -6.765 7.361 351 HB3 ARG 45 2HB ARG 45 19.245 -7.988 8.361 352 HG2 ARG 45 1HG ARG 45 17.776 -9.740 7.315 353 HG3 ARG 45 2HG ARG 45 17.128 -8.489 6.232 354 HD2 ARG 45 1HD ARG 45 19.398 -8.066 5.348 355 HD3 ARG 45 2HD ARG 45 20.056 -9.308 6.436 356 HE ARG 45 HE ARG 45 17.964 -10.466 4.901 357 HH11 ARG 45 1HH1 ARG 45 21.258 -9.288 4.372 358 HH12 ARG 45 2HH1 ARG 45 21.523 -10.360 3.028 359 HH21 ARG 45 1HH2 ARG 45 18.371 -11.821 3.162 360 HH22 ARG 45 2HH2 ARG 45 19.909 -11.773 2.355 361 H ASN 46 H ASN 46 16.559 -5.162 9.041 362 HA ASN 46 HA ASN 46 18.342 -4.231 11.123 363 HB2 ASN 46 1HB ASN 46 17.529 -2.860 9.226 364 HB3 ASN 46 2HB ASN 46 15.881 -2.950 9.855 365 HD21 ASN 46 2HD2 ASN 46 19.215 -1.851 10.762 366 HD22 ASN 46 1HD2 ASN 46 18.645 -0.525 11.758 367 H GLY 47 H GLY 47 15.366 -5.939 11.353 368 HA2 GLY 47 1HA GLY 47 14.309 -6.652 13.320 369 HA3 GLY 47 2HA GLY 47 15.028 -5.307 14.237 370 H SER 48 H SER 48 13.809 -3.954 11.442 371 HA SER 48 HA SER 48 11.288 -3.042 12.658 372 HB2 SER 48 1HB SER 48 11.094 -1.724 10.595 373 HB3 SER 48 2HB SER 48 12.598 -1.433 11.471 374 HG SER 48 HG SER 48 13.215 -1.683 9.370 375 H LYS 49 H LYS 49 9.268 -3.211 11.430 376 HA LYS 49 HA LYS 49 9.028 -5.631 9.702 377 HB2 LYS 49 1HB LYS 49 8.366 -5.907 12.264 378 HB3 LYS 49 2HB LYS 49 6.915 -5.056 11.750 379 HG2 LYS 49 1HG LYS 49 6.566 -6.867 10.008 380 HG3 LYS 49 2HG LYS 49 7.933 -7.723 10.753 381 HD2 LYS 49 1HD LYS 49 6.641 -7.524 12.985 382 HD3 LYS 49 2HD LYS 49 5.281 -6.945 12.024 383 HE2 LYS 49 1HE LYS 49 4.839 -9.230 12.321 384 HE3 LYS 49 2HE LYS 49 5.456 -9.122 10.673 385 HZ1 LYS 49 3HZ LYS 49 6.462 -10.954 11.888 386 HZ2 LYS 49 1HZ LYS 49 7.624 -9.869 11.508 387 HZ3 LYS 49 2HZ LYS 49 7.044 -9.951 13.040 388 H ASP 50 H ASP 50 7.318 -5.647 8.324 389 HA ASP 50 HA ASP 50 6.290 -3.003 7.447 390 HB2 ASP 50 1HB ASP 50 6.359 -5.697 6.031 391 HB3 ASP 50 2HB ASP 50 5.907 -4.155 5.331 392 H TYR 51 H TYR 51 4.092 -2.641 7.241 393 HA TYR 51 HA TYR 51 2.158 -4.757 8.123 394 HB2 TYR 51 1HB TYR 51 2.419 -1.874 9.049 395 HB3 TYR 51 2HB TYR 51 1.130 -2.970 9.518 396 HD1 TYR 51 2HD TYR 51 4.703 -2.123 9.922 397 HD2 TYR 51 1HD TYR 51 1.489 -4.677 11.211 398 HE1 TYR 51 2HE TYR 51 6.017 -2.756 11.912 399 HE2 TYR 51 1HE TYR 51 2.794 -5.310 13.235 400 HH TYR 51 HH TYR 51 6.051 -3.955 13.897 401 H GLY 52 H GLY 52 0.079 -4.678 7.355 402 HA2 GLY 52 1HA GLY 52 -1.834 -3.851 6.338 403 HA3 GLY 52 2HA GLY 52 -1.041 -2.279 6.169 404 H LEU 53 H LEU 53 -2.493 -2.561 4.200 405 HA LEU 53 HA LEU 53 -1.836 -4.473 2.267 406 HB2 LEU 53 1HB LEU 53 -3.889 -2.621 2.655 407 HB3 LEU 53 2HB LEU 53 -3.017 -1.849 1.343 408 HG LEU 53 HG LEU 53 -3.124 -4.310 0.268 409 HD11 LEU 53 1HD1 LEU 53 -4.115 -5.311 2.280 410 HD12 LEU 53 2HD1 LEU 53 -5.528 -4.239 2.122 411 HD13 LEU 53 3HD1 LEU 53 -5.215 -5.445 0.886 412 HD21 LEU 53 3HD2 LEU 53 -5.214 -3.775 -0.808 413 HD22 LEU 53 1HD2 LEU 53 -5.541 -2.499 0.401 414 HD23 LEU 53 2HD2 LEU 53 -4.174 -2.328 -0.726 415 H PHE 54 H PHE 54 -0.216 -1.488 2.750 416 HA PHE 54 HA PHE 54 1.246 -1.794 0.160 417 HB2 PHE 54 1HB PHE 54 1.021 0.601 2.013 418 HB3 PHE 54 2HB PHE 54 1.903 0.554 0.498 419 HD1 PHE 54 2HD PHE 54 -1.496 0.419 1.997 420 HD2 PHE 54 1HD PHE 54 0.783 0.830 -1.632 421 HE1 PHE 54 2HE PHE 54 -3.549 1.077 0.803 422 HE2 PHE 54 1HE PHE 54 -1.279 1.532 -2.824 423 HZ PHE 54 HZ PHE 54 -3.445 1.654 -1.624 424 H GLN 55 H GLN 55 1.575 -3.080 3.075 425 HA GLN 55 HA GLN 55 3.233 -3.721 4.462 426 HB2 GLN 55 1HB GLN 55 4.666 -3.793 1.777 427 HB3 GLN 55 2HB GLN 55 5.342 -4.499 3.235 428 HG2 GLN 55 1HG GLN 55 2.722 -5.329 1.934 429 HG3 GLN 55 2HG GLN 55 4.260 -6.196 1.894 430 HE21 GLN 55 2HE2 GLN 55 1.373 -5.552 3.855 431 HE22 GLN 55 1HE2 GLN 55 1.878 -6.534 5.202 432 H ILE 56 H ILE 56 2.927 -1.402 5.192 433 HA ILE 56 HA ILE 56 5.084 0.496 4.639 434 HB ILE 56 HB ILE 56 2.803 0.765 6.652 435 HG12 ILE 56 1HG1 ILE 56 2.903 1.340 3.638 436 HG13 ILE 56 2HG1 ILE 56 1.800 0.204 4.443 437 HG21 ILE 56 1HG2 ILE 56 4.653 2.362 6.814 438 HG22 ILE 56 2HG2 ILE 56 4.394 2.839 5.117 439 HG23 ILE 56 3HG2 ILE 56 3.147 3.134 6.356 440 HD11 ILE 56 3HD1 ILE 56 0.482 2.053 3.862 441 HD12 ILE 56 1HD1 ILE 56 0.772 2.243 5.607 442 HD13 ILE 56 2HD1 ILE 56 1.694 3.207 4.421 443 H ASN 57 H ASN 57 6.815 0.934 5.934 444 HA ASN 57 HA ASN 57 7.287 -1.012 8.079 445 HB2 ASN 57 1HB ASN 57 8.814 -0.747 6.161 446 HB3 ASN 57 2HB ASN 57 9.180 0.899 6.708 447 HD21 ASN 57 2HD2 ASN 57 9.824 -2.502 7.191 448 HD22 ASN 57 1HD2 ASN 57 11.046 -2.260 8.447 449 H ASP 58 H ASP 58 7.611 -0.614 10.130 450 HA ASP 58 HA ASP 58 6.633 1.721 11.334 451 HB2 ASP 58 1HB ASP 58 6.995 0.720 13.383 452 HB3 ASP 58 2HB ASP 58 6.646 -0.597 12.271 453 H ARG 59 H ARG 59 9.798 1.300 10.158 454 HA ARG 59 HA ARG 59 11.165 3.112 11.999 455 HB2 ARG 59 1HB ARG 59 12.196 1.174 10.836 456 HB3 ARG 59 2HB ARG 59 11.941 2.003 9.286 457 HG2 ARG 59 1HG ARG 59 13.540 3.686 9.793 458 HG3 ARG 59 2HG ARG 59 13.638 3.194 11.490 459 HD2 ARG 59 1HD ARG 59 15.566 2.461 10.059 460 HD3 ARG 59 2HD ARG 59 14.750 1.153 10.953 461 HE ARG 59 HE ARG 59 13.498 1.107 8.515 462 HH11 ARG 59 1HH1 ARG 59 16.926 0.955 9.352 463 HH12 ARG 59 2HH1 ARG 59 17.310 -0.041 7.979 464 HH21 ARG 59 1HH2 ARG 59 14.036 -0.286 6.843 465 HH22 ARG 59 2HH2 ARG 59 15.689 -0.753 6.599 466 H TYR 60 H TYR 60 9.358 3.464 8.981 467 HA TYR 60 HA TYR 60 10.456 6.239 8.617 468 HB2 TYR 60 1HB TYR 60 9.522 4.199 6.582 469 HB3 TYR 60 2HB TYR 60 10.115 5.805 6.209 470 HD1 TYR 60 1HD TYR 60 12.551 6.148 7.786 471 HD2 TYR 60 2HD TYR 60 11.055 2.601 5.829 472 HE1 TYR 60 1HE TYR 60 14.868 5.298 7.556 473 HE2 TYR 60 2HE TYR 60 13.384 1.785 5.542 474 HH TYR 60 HH TYR 60 16.224 3.664 6.688 475 H TRP 61 H TRP 61 7.364 4.415 8.398 476 HA TRP 61 HA TRP 61 6.013 7.047 7.808 477 HB2 TRP 61 1HB TRP 61 5.401 4.383 6.586 478 HB3 TRP 61 2HB TRP 61 4.681 5.916 6.147 479 HD1 TRP 61 HD TRP 61 7.057 3.512 4.969 480 HE1 TRP 61 1HE TRP 61 8.650 4.462 3.194 481 HE3 TRP 61 3HE TRP 61 6.098 8.500 5.614 482 HZ2 TRP 61 2HZ TRP 61 9.322 7.051 2.104 483 HZ3 TRP 61 3HZ TRP 61 7.104 10.168 4.100 484 HH2 TRP 61 HH TRP 61 8.742 9.468 2.355 485 H CYS 62 H CYS 62 5.426 3.738 9.165 486 HA CYS 62 HA CYS 62 3.219 4.961 10.775 487 HB2 CYS 62 1HB CYS 62 2.612 2.539 11.210 488 HB3 CYS 62 2HB CYS 62 2.321 3.168 9.607 489 H SER 63 H SER 63 3.016 4.275 13.005 490 HA SER 63 HA SER 63 5.643 4.074 14.421 491 HB2 SER 63 1HB SER 63 4.219 6.035 14.909 492 HB3 SER 63 2HB SER 63 2.897 4.954 15.378 493 HG SER 63 HG SER 63 3.913 5.486 17.245 494 H LYS 64 H LYS 64 6.166 2.306 15.588 495 HA LYS 64 HA LYS 64 4.284 0.068 15.919 496 HB2 LYS 64 1HB LYS 64 6.205 -1.090 16.875 497 HB3 LYS 64 2HB LYS 64 6.590 -0.418 15.305 498 HG2 LYS 64 1HG LYS 64 8.218 0.965 16.139 499 HG3 LYS 64 2HG LYS 64 7.270 1.422 17.541 500 HD2 LYS 64 1HD LYS 64 9.256 0.269 18.292 501 HD3 LYS 64 2HD LYS 64 7.814 -0.652 18.692 502 HE2 LYS 64 1HE LYS 64 9.408 -2.238 17.969 503 HE3 LYS 64 2HE LYS 64 8.232 -2.103 16.659 504 HZ1 LYS 64 3HZ LYS 64 10.540 -2.090 15.866 505 HZ2 LYS 64 1HZ LYS 64 9.801 -0.690 15.465 506 HZ3 LYS 64 2HZ LYS 64 10.869 -0.730 16.713 507 H GLY 65 H GLY 65 4.807 2.834 17.720 508 HA2 GLY 65 1HA GLY 65 4.983 1.727 20.406 509 HA3 GLY 65 2HA GLY 65 4.766 3.430 19.962 510 H ALA 66 H ALA 66 3.394 3.425 21.878 511 HA ALA 66 HA ALA 66 0.796 2.087 21.805 512 HB1 ALA 66 1HB ALA 66 2.039 2.522 23.906 513 HB2 ALA 66 2HB ALA 66 1.898 4.276 23.627 514 HB3 ALA 66 3HB ALA 66 0.445 3.298 23.919 515 H SER 67 H SER 67 1.899 4.739 20.086 516 HA SER 67 HA SER 67 -0.785 5.780 19.515 517 HB2 SER 67 1HB SER 67 -0.095 8.097 20.079 518 HB3 SER 67 2HB SER 67 -0.155 7.032 21.489 519 HG SER 67 HG SER 67 1.736 8.346 21.479 520 HA PRO 68 HA PRO 68 1.175 6.522 15.533 521 HB2 PRO 68 1HB PRO 68 -0.361 8.504 14.475 522 HB3 PRO 68 2HB PRO 68 -0.980 6.837 14.732 523 HG2 PRO 68 1HG PRO 68 -1.333 9.247 16.542 524 HG3 PRO 68 2HG PRO 68 -2.595 8.126 15.929 525 HD2 PRO 68 1HD PRO 68 -1.474 7.806 18.379 526 HD3 PRO 68 2HD PRO 68 -1.886 6.392 17.365 527 H GLY 69 H GLY 69 2.591 8.073 14.459 528 HA2 GLY 69 1HA GLY 69 3.274 10.652 15.356 529 HA3 GLY 69 2HA GLY 69 4.116 9.552 16.431 530 H LYS 70 H LYS 70 3.553 10.219 13.013 531 HA LYS 70 HA LYS 70 6.391 10.075 12.273 532 HB2 LYS 70 1HB LYS 70 4.269 8.195 11.140 533 HB3 LYS 70 2HB LYS 70 5.782 8.506 10.308 534 HG2 LYS 70 1HG LYS 70 5.531 7.171 13.005 535 HG3 LYS 70 2HG LYS 70 5.796 6.401 11.446 536 HD2 LYS 70 1HD LYS 70 7.955 7.569 11.191 537 HD3 LYS 70 2HD LYS 70 7.743 8.283 12.811 538 HE2 LYS 70 1HE LYS 70 7.599 6.006 13.788 539 HE3 LYS 70 2HE LYS 70 7.817 5.294 12.187 540 HZ1 LYS 70 3HZ LYS 70 9.888 5.366 13.435 541 HZ2 LYS 70 1HZ LYS 70 10.033 6.302 12.105 542 HZ3 LYS 70 2HZ LYS 70 9.819 6.994 13.577 543 H ASP 71 H ASP 71 6.433 10.419 9.743 544 HA ASP 71 HA ASP 71 5.286 12.928 9.027 545 HB2 ASP 71 1HB ASP 71 7.311 11.999 8.019 546 HB3 ASP 71 2HB ASP 71 6.390 10.661 7.326 547 H CYS 72 H CYS 72 3.948 9.671 8.694 548 HA CYS 72 HA CYS 72 1.573 10.728 7.219 549 HB2 CYS 72 1HB CYS 72 2.394 7.875 7.788 550 HB3 CYS 72 2HB CYS 72 1.071 8.408 6.765 551 H ASN 73 H ASN 73 2.389 10.405 10.422 552 HA ASN 73 HA ASN 73 1.264 10.231 12.369 553 HB2 ASN 73 1HB ASN 73 0.605 12.397 11.325 554 HB3 ASN 73 2HB ASN 73 -0.867 11.637 10.722 555 HD21 ASN 73 2HD2 ASN 73 -2.174 13.138 11.970 556 HD22 ASN 73 1HD2 ASN 73 -2.306 12.964 13.712 557 H VAL 74 H VAL 74 1.204 7.776 11.601 558 HA VAL 74 HA VAL 74 -1.457 6.709 12.289 559 HB VAL 74 HB VAL 74 -1.422 7.019 9.825 560 HG11 VAL 74 1HG1 VAL 74 0.991 6.619 9.381 561 HG12 VAL 74 2HG1 VAL 74 0.769 4.901 9.778 562 HG13 VAL 74 3HG1 VAL 74 -0.058 5.603 8.381 563 HG21 VAL 74 3HG2 VAL 74 -2.313 4.868 9.257 564 HG22 VAL 74 1HG2 VAL 74 -1.488 4.095 10.624 565 HG23 VAL 74 2HG2 VAL 74 -2.795 5.268 10.914 566 H LYS 75 H LYS 75 -1.463 4.658 13.120 567 HA LYS 75 HA LYS 75 1.129 3.667 14.177 568 HB2 LYS 75 1HB LYS 75 -1.015 4.395 15.510 569 HB3 LYS 75 2HB LYS 75 -1.631 2.805 15.053 570 HG2 LYS 75 1HG LYS 75 0.314 1.736 16.182 571 HG3 LYS 75 2HG LYS 75 0.982 3.337 16.522 572 HD2 LYS 75 1HD LYS 75 0.012 2.645 18.523 573 HD3 LYS 75 2HD LYS 75 -1.088 3.852 17.898 574 HE2 LYS 75 1HE LYS 75 -1.608 0.924 17.300 575 HE3 LYS 75 2HE LYS 75 -1.854 1.500 18.945 576 HZ1 LYS 75 3HZ LYS 75 -3.901 1.663 17.751 577 HZ2 LYS 75 1HZ LYS 75 -3.398 3.179 18.071 578 HZ3 LYS 75 2HZ LYS 75 -3.270 2.560 16.554 579 H CYS 76 H CYS 76 1.901 1.611 13.727 580 HA CYS 76 HA CYS 76 1.331 0.240 11.363 581 HB2 CYS 76 1HB CYS 76 2.389 -0.935 13.970 582 HB3 CYS 76 2HB CYS 76 2.612 -1.600 12.356 583 H SER 77 H SER 77 -0.135 -0.426 14.560 584 HA SER 77 HA SER 77 -1.521 -2.818 13.762 585 HB2 SER 77 1HB SER 77 -0.937 -2.087 16.104 586 HB3 SER 77 2HB SER 77 -2.278 -0.929 16.011 587 HG SER 77 HG SER 77 -2.875 -2.957 16.986 588 H ASP 78 H ASP 78 -2.494 0.631 13.469 589 HA ASP 78 HA ASP 78 -5.260 0.025 12.789 590 HB2 ASP 78 1HB ASP 78 -3.536 2.518 12.531 591 HB3 ASP 78 2HB ASP 78 -5.205 2.435 11.991 592 H LEU 79 H LEU 79 -2.296 -0.346 11.103 593 HA LEU 79 HA LEU 79 -3.506 -0.085 8.424 594 HB2 LEU 79 1HB LEU 79 -0.851 -1.372 9.124 595 HB3 LEU 79 2HB LEU 79 -1.397 -0.744 7.578 596 HG LEU 79 HG LEU 79 -0.641 0.905 10.020 597 HD11 LEU 79 1HD1 LEU 79 1.263 0.017 8.820 598 HD12 LEU 79 2HD1 LEU 79 0.570 0.499 7.258 599 HD13 LEU 79 3HD1 LEU 79 1.110 1.732 8.412 600 HD21 LEU 79 3HD2 LEU 79 -0.963 2.875 8.495 601 HD22 LEU 79 1HD2 LEU 79 -1.732 1.786 7.328 602 HD23 LEU 79 2HD2 LEU 79 -2.483 2.069 8.912 603 H LEU 80 H LEU 80 -3.447 -2.471 10.882 604 HA LEU 80 HA LEU 80 -3.835 -4.743 9.026 605 HB2 LEU 80 1HB LEU 80 -3.686 -4.729 12.054 606 HB3 LEU 80 2HB LEU 80 -3.637 -6.137 11.001 607 HG LEU 80 HG LEU 80 -1.502 -3.982 11.200 608 HD11 LEU 80 1HD1 LEU 80 -1.641 -5.488 13.155 609 HD12 LEU 80 2HD1 LEU 80 -1.541 -6.903 12.083 610 HD13 LEU 80 3HD1 LEU 80 -0.164 -5.797 12.232 611 HD21 LEU 80 3HD2 LEU 80 -0.120 -5.505 9.776 612 HD22 LEU 80 1HD2 LEU 80 -1.557 -6.505 9.492 613 HD23 LEU 80 2HD2 LEU 80 -1.501 -4.819 8.920 614 H THR 81 H THR 81 -5.854 -2.445 9.919 615 HA THR 81 HA THR 81 -8.094 -3.966 11.029 616 HB THR 81 HB THR 81 -7.466 -1.651 11.690 617 HG1 THR 81 1HG THR 81 -9.626 -1.104 11.928 618 HG21 THR 81 3HG2 THR 81 -7.982 0.235 10.415 619 HG22 THR 81 1HG2 THR 81 -7.207 -0.826 9.235 620 HG23 THR 81 2HG2 THR 81 -8.976 -0.677 9.247 621 H ASP 82 H ASP 82 -10.286 -3.142 9.912 622 HA ASP 82 HA ASP 82 -10.320 -4.812 7.464 623 HB2 ASP 82 1HB ASP 82 -12.610 -3.872 9.226 624 HB3 ASP 82 2HB ASP 82 -12.699 -5.093 7.957 625 H ASP 83 H ASP 83 -9.807 -1.750 7.682 626 HA ASP 83 HA ASP 83 -11.033 -1.189 5.053 627 HB2 ASP 83 1HB ASP 83 -12.404 0.023 6.777 628 HB3 ASP 83 2HB ASP 83 -10.958 0.914 7.252 629 H ILE 84 H ILE 84 -9.504 -0.627 3.686 630 HA ILE 84 HA ILE 84 -6.736 -0.695 4.486 631 HB ILE 84 HB ILE 84 -6.226 -0.655 2.171 632 HG12 ILE 84 1HG1 ILE 84 -9.053 0.345 1.602 633 HG13 ILE 84 2HG1 ILE 84 -7.591 1.329 1.575 634 HG21 ILE 84 1HG2 ILE 84 -7.499 -2.684 3.042 635 HG22 ILE 84 2HG2 ILE 84 -8.956 -2.019 2.302 636 HG23 ILE 84 3HG2 ILE 84 -7.582 -2.476 1.293 637 HD11 ILE 84 3HD1 ILE 84 -8.210 0.789 -0.662 638 HD12 ILE 84 1HD1 ILE 84 -6.657 0.016 -0.251 639 HD13 ILE 84 2HD1 ILE 84 -8.158 -0.949 -0.325 640 H THR 85 H THR 85 -8.907 1.933 4.409 641 HA THR 85 HA THR 85 -7.497 4.001 3.219 642 HB THR 85 HB THR 85 -9.834 4.067 3.881 643 HG1 THR 85 1HG THR 85 -9.771 6.272 4.357 644 HG21 THR 85 3HG2 THR 85 -10.547 4.720 6.075 645 HG22 THR 85 1HG2 THR 85 -9.561 3.263 6.257 646 HG23 THR 85 2HG2 THR 85 -8.872 4.853 6.658 647 H LYS 86 H LYS 86 -7.006 2.884 6.561 648 HA LYS 86 HA LYS 86 -5.286 5.032 7.366 649 HB2 LYS 86 1HB LYS 86 -5.225 2.115 8.241 650 HB3 LYS 86 2HB LYS 86 -4.551 3.479 9.128 651 HG2 LYS 86 1HG LYS 86 -7.509 2.948 8.604 652 HG3 LYS 86 2HG LYS 86 -6.649 2.737 10.122 653 HD2 LYS 86 1HD LYS 86 -6.174 5.195 10.181 654 HD3 LYS 86 2HD LYS 86 -7.148 5.390 8.704 655 HE2 LYS 86 1HE LYS 86 -9.109 4.401 9.865 656 HE3 LYS 86 2HE LYS 86 -8.147 4.211 11.336 657 HZ1 LYS 86 3HZ LYS 86 -9.484 6.227 11.410 658 HZ2 LYS 86 1HZ LYS 86 -7.903 6.632 11.413 659 HZ3 LYS 86 2HZ LYS 86 -8.793 6.810 10.051 660 H ALA 87 H ALA 87 -4.642 2.174 5.421 661 HA ALA 87 HA ALA 87 -1.721 2.704 5.319 662 HB1 ALA 87 1HB ALA 87 -2.716 0.360 5.538 663 HB2 ALA 87 2HB ALA 87 -3.355 0.555 3.889 664 HB3 ALA 87 3HB ALA 87 -1.598 0.592 4.190 665 H ALA 88 H ALA 88 -4.616 2.842 3.216 666 HA ALA 88 HA ALA 88 -3.237 3.548 0.841 667 HB1 ALA 88 1HB ALA 88 -5.579 2.616 1.074 668 HB2 ALA 88 2HB ALA 88 -6.110 4.243 1.577 669 HB3 ALA 88 3HB ALA 88 -5.423 3.980 -0.031 670 H LYS 89 H LYS 89 -4.732 5.755 3.293 671 HA LYS 89 HA LYS 89 -3.985 8.161 1.851 672 HB2 LYS 89 1HB LYS 89 -4.571 7.650 4.787 673 HB3 LYS 89 2HB LYS 89 -4.415 9.249 4.062 674 HG2 LYS 89 1HG LYS 89 -6.564 7.196 3.363 675 HG3 LYS 89 2HG LYS 89 -6.764 8.608 4.400 676 HD2 LYS 89 1HD LYS 89 -6.184 10.069 2.424 677 HD3 LYS 89 2HD LYS 89 -6.170 8.605 1.407 678 HE2 LYS 89 1HE LYS 89 -8.513 8.116 2.100 679 HE3 LYS 89 2HE LYS 89 -8.526 9.585 3.082 680 HZ1 LYS 89 3HZ LYS 89 -9.537 10.011 0.946 681 HZ2 LYS 89 1HZ LYS 89 -8.141 10.858 1.017 682 HZ3 LYS 89 2HZ LYS 89 -8.223 9.475 0.130 683 H CYS 90 H CYS 90 -2.271 6.145 4.185 684 HA CYS 90 HA CYS 90 0.050 7.886 4.486 685 HB2 CYS 90 1HB CYS 90 -0.526 6.184 6.117 686 HB3 CYS 90 2HB CYS 90 -0.384 4.903 4.912 687 H ALA 91 H ALA 91 -0.764 5.170 2.270 688 HA ALA 91 HA ALA 91 1.598 5.240 0.722 689 HB1 ALA 91 1HB ALA 91 -0.127 3.454 0.709 690 HB2 ALA 91 2HB ALA 91 -1.227 4.535 -0.156 691 HB3 ALA 91 3HB ALA 91 0.283 4.024 -0.924 692 H LYS 92 H LYS 92 -1.408 7.306 0.282 693 HA LYS 92 HA LYS 92 -0.340 8.706 -1.963 694 HB2 LYS 92 1HB LYS 92 -2.085 9.946 0.191 695 HB3 LYS 92 2HB LYS 92 -1.896 10.465 -1.475 696 HG2 LYS 92 1HG LYS 92 -3.380 8.058 -0.419 697 HG3 LYS 92 2HG LYS 92 -4.020 9.443 -1.224 698 HD2 LYS 92 1HD LYS 92 -2.421 7.166 -2.430 699 HD3 LYS 92 2HD LYS 92 -4.104 7.558 -2.707 700 HE2 LYS 92 1HE LYS 92 -1.725 9.245 -3.620 701 HE3 LYS 92 2HE LYS 92 -2.661 8.146 -4.633 702 HZ1 LYS 92 3HZ LYS 92 -3.395 10.441 -4.891 703 HZ2 LYS 92 1HZ LYS 92 -4.613 9.546 -4.281 704 HZ3 LYS 92 2HZ LYS 92 -3.773 10.562 -3.308 705 H LYS 93 H LYS 93 0.100 9.393 1.543 706 HA LYS 93 HA LYS 93 1.712 11.728 1.108 707 HB2 LYS 93 1HB LYS 93 0.535 11.277 3.209 708 HB3 LYS 93 2HB LYS 93 1.544 9.869 3.504 709 HG2 LYS 93 1HG LYS 93 2.217 11.788 4.872 710 HG3 LYS 93 2HG LYS 93 3.521 11.273 3.806 711 HD2 LYS 93 1HD LYS 93 3.052 13.125 2.267 712 HD3 LYS 93 2HD LYS 93 1.671 13.642 3.247 713 HE2 LYS 93 1HE LYS 93 4.602 13.593 4.097 714 HE3 LYS 93 2HE LYS 93 3.742 15.018 3.518 715 HZ1 LYS 93 3HZ LYS 93 3.831 14.974 5.917 716 HZ2 LYS 93 1HZ LYS 93 2.266 14.829 5.453 717 HZ3 LYS 93 2HZ LYS 93 3.106 13.525 6.003 718 H ILE 94 H ILE 94 2.580 8.325 1.031 719 HA ILE 94 HA ILE 94 5.462 8.871 0.759 720 HB ILE 94 HB ILE 94 3.820 6.407 0.052 721 HG12 ILE 94 1HG1 ILE 94 5.727 6.846 2.379 722 HG13 ILE 94 2HG1 ILE 94 4.005 7.093 2.540 723 HG21 ILE 94 1HG2 ILE 94 5.841 6.504 -1.313 724 HG22 ILE 94 2HG2 ILE 94 6.820 6.956 0.092 725 HG23 ILE 94 3HG2 ILE 94 6.111 5.323 -0.033 726 HD11 ILE 94 3HD1 ILE 94 4.506 4.909 3.380 727 HD12 ILE 94 1HD1 ILE 94 3.598 4.715 1.871 728 HD13 ILE 94 2HD1 ILE 94 5.359 4.449 1.899 729 H TYR 95 H TYR 95 2.834 8.122 -1.598 730 HA TYR 95 HA TYR 95 4.354 8.295 -3.926 731 HB2 TYR 95 1HB TYR 95 2.370 7.402 -4.379 732 HB3 TYR 95 2HB TYR 95 1.504 8.362 -3.202 733 HD1 TYR 95 2HD TYR 95 0.870 10.775 -3.752 734 HD2 TYR 95 1HD TYR 95 2.112 7.886 -6.703 735 HE1 TYR 95 2HE TYR 95 -0.207 12.133 -5.534 736 HE2 TYR 95 1HE TYR 95 1.055 9.248 -8.487 737 HH TYR 95 HH TYR 95 -0.155 11.151 -8.984 738 H LYS 96 H LYS 96 3.098 10.971 -2.051 739 HA LYS 96 HA LYS 96 3.610 13.174 -3.764 740 HB2 LYS 96 1HB LYS 96 3.625 12.648 -0.782 741 HB3 LYS 96 2HB LYS 96 4.129 14.234 -1.384 742 HG2 LYS 96 1HG LYS 96 1.994 14.468 -2.636 743 HG3 LYS 96 2HG LYS 96 1.431 12.932 -1.966 744 HD2 LYS 96 1HD LYS 96 1.656 13.875 0.332 745 HD3 LYS 96 2HD LYS 96 2.164 15.421 -0.346 746 HE2 LYS 96 1HE LYS 96 -0.517 14.060 -0.911 747 HE3 LYS 96 2HE LYS 96 -0.267 15.281 0.338 748 HZ1 LYS 96 3HZ LYS 96 -1.124 16.289 -1.670 749 HZ2 LYS 96 1HZ LYS 96 0.384 16.852 -1.400 750 HZ3 LYS 96 2HZ LYS 96 0.120 15.735 -2.568 751 H ARG 97 H ARG 97 5.957 11.139 -2.140 752 HA ARG 97 HA ARG 97 8.220 12.925 -2.995 753 HB2 ARG 97 1HB ARG 97 8.114 10.937 -0.745 754 HB3 ARG 97 2HB ARG 97 9.539 11.828 -1.309 755 HG2 ARG 97 1HG ARG 97 8.173 13.998 -0.920 756 HG3 ARG 97 2HG ARG 97 7.008 12.968 -0.051 757 HD2 ARG 97 1HD ARG 97 9.046 12.075 1.215 758 HD3 ARG 97 2HD ARG 97 9.957 13.415 0.541 759 HE ARG 97 HE ARG 97 8.919 14.905 1.968 760 HH11 ARG 97 1HH1 ARG 97 7.001 11.930 2.133 761 HH12 ARG 97 2HH1 ARG 97 6.405 12.312 3.733 762 HH21 ARG 97 1HH2 ARG 97 8.007 15.367 3.969 763 HH22 ARG 97 2HH2 ARG 97 6.938 14.220 4.733 764 H HIS 98 H HIS 98 6.970 9.621 -2.952 765 HA HIS 98 HA HIS 98 8.810 8.735 -5.129 766 HB2 HIS 98 1HB HIS 98 8.335 7.376 -2.442 767 HB3 HIS 98 2HB HIS 98 9.161 6.637 -3.808 768 HD2 HIS 98 2HD HIS 98 9.778 8.784 -0.808 769 HE1 HIS 98 1HE HIS 98 13.373 9.001 -3.079 770 HE2 HIS 98 2HE HIS 98 12.302 9.535 -0.829 771 H ARG 99 H ARG 99 6.889 9.014 -6.405 772 HA ARG 99 HA ARG 99 4.376 8.306 -6.106 773 HB2 ARG 99 1HB ARG 99 4.004 7.970 -8.435 774 HB3 ARG 99 2HB ARG 99 4.940 9.403 -8.061 775 HG2 ARG 99 1HG ARG 99 6.306 6.824 -8.925 776 HG3 ARG 99 2HG ARG 99 5.589 7.917 -10.099 777 HD2 ARG 99 1HD ARG 99 7.008 9.699 -9.536 778 HD3 ARG 99 2HD ARG 99 7.538 8.996 -8.049 779 HE ARG 99 HE ARG 99 8.967 7.525 -8.976 780 HH11 ARG 99 1HH1 ARG 99 7.449 9.230 -11.697 781 HH12 ARG 99 2HH1 ARG 99 8.612 8.595 -12.824 782 HH21 ARG 99 1HH2 ARG 99 10.342 6.779 -10.372 783 HH22 ARG 99 2HH2 ARG 99 10.283 7.197 -12.078 784 H PHE 100 H PHE 100 6.741 5.915 -7.190 785 HA PHE 100 HA PHE 100 5.168 3.684 -5.997 786 HB2 PHE 100 1HB PHE 100 6.400 3.621 -8.767 787 HB3 PHE 100 2HB PHE 100 5.552 2.315 -7.944 788 HD1 PHE 100 1HD PHE 100 3.083 2.786 -7.211 789 HD2 PHE 100 2HD PHE 100 5.173 4.949 -10.299 790 HE1 PHE 100 1HE PHE 100 0.928 3.453 -8.196 791 HE2 PHE 100 2HE PHE 100 2.999 5.637 -11.280 792 HZ PHE 100 HZ PHE 100 0.869 4.887 -10.231 793 H ASP 101 H ASP 101 8.109 5.310 -6.259 794 HA ASP 101 HA ASP 101 9.973 3.223 -6.656 795 HB2 ASP 101 1HB ASP 101 10.668 5.878 -5.406 796 HB3 ASP 101 2HB ASP 101 11.579 4.925 -6.565 797 H ALA 102 H ALA 102 8.365 4.198 -3.783 798 HA ALA 102 HA ALA 102 10.425 3.413 -1.872 799 HB1 ALA 102 1HB ALA 102 8.765 5.179 -1.396 800 HB2 ALA 102 2HB ALA 102 7.448 3.991 -1.550 801 HB3 ALA 102 3HB ALA 102 8.626 3.852 -0.231 802 H TRP 103 H TRP 103 8.454 1.561 -3.861 803 HA TRP 103 HA TRP 103 8.323 -0.753 -1.961 804 HB2 TRP 103 1HB TRP 103 6.522 0.080 -4.270 805 HB3 TRP 103 2HB TRP 103 6.378 -1.436 -3.393 806 HD1 TRP 103 HD TRP 103 5.640 -1.329 -0.826 807 HE1 TRP 103 1HE TRP 103 4.116 0.266 0.423 808 HE3 TRP 103 3HE TRP 103 5.902 2.666 -4.006 809 HZ2 TRP 103 2HZ TRP 103 2.992 2.926 0.021 810 HZ3 TRP 103 3HZ TRP 103 4.579 4.716 -3.566 811 HH2 TRP 103 HH TRP 103 3.083 4.839 -1.585 812 H TYR 104 H TYR 104 8.697 -2.817 -2.666 813 HA TYR 104 HA TYR 104 10.880 -2.879 -4.659 814 HB2 TYR 104 1HB TYR 104 11.168 -3.698 -2.300 815 HB3 TYR 104 2HB TYR 104 10.046 -5.010 -2.668 816 HD1 TYR 104 2HD TYR 104 13.236 -3.395 -3.689 817 HD2 TYR 104 1HD TYR 104 10.826 -6.955 -3.884 818 HE1 TYR 104 2HE TYR 104 15.121 -4.600 -4.809 819 HE2 TYR 104 1HE TYR 104 12.699 -8.172 -4.998 820 HH TYR 104 HH TYR 104 15.834 -6.584 -5.737 821 H GLY 105 H GLY 105 7.748 -4.506 -4.040 822 HA2 GLY 105 1HA GLY 105 7.914 -6.416 -6.172 823 HA3 GLY 105 2HA GLY 105 6.418 -5.810 -5.412 824 H TRP 106 H TRP 106 6.998 -3.006 -6.163 825 HA TRP 106 HA TRP 106 5.894 -2.933 -8.801 826 HB2 TRP 106 1HB TRP 106 5.392 -1.227 -7.226 827 HB3 TRP 106 2HB TRP 106 7.092 -0.788 -7.049 828 HD1 TRP 106 HD TRP 106 4.152 -0.461 -9.488 829 HE1 TRP 106 1HE TRP 106 4.699 1.327 -11.245 830 HE3 TRP 106 3HE TRP 106 9.020 0.419 -8.225 831 HZ2 TRP 106 2HZ TRP 106 7.013 2.882 -12.063 832 HZ3 TRP 106 3HZ TRP 106 10.408 1.979 -9.531 833 HH2 TRP 106 HH TRP 106 9.414 3.246 -11.451 834 H LYS 107 H LYS 107 9.263 -2.352 -7.657 835 HA LYS 107 HA LYS 107 10.169 -1.969 -10.435 836 HB2 LYS 107 1HB LYS 107 12.385 -1.637 -9.484 837 HB3 LYS 107 2HB LYS 107 11.166 -0.560 -8.811 838 HG2 LYS 107 1HG LYS 107 11.051 -1.851 -6.764 839 HG3 LYS 107 2HG LYS 107 12.115 -3.102 -7.431 840 HD2 LYS 107 1HD LYS 107 13.477 -1.791 -5.980 841 HD3 LYS 107 2HD LYS 107 13.931 -1.375 -7.626 842 HE2 LYS 107 1HE LYS 107 13.856 0.682 -6.456 843 HE3 LYS 107 2HE LYS 107 12.398 0.663 -7.451 844 HZ1 LYS 107 3HZ LYS 107 11.937 1.383 -5.167 845 HZ2 LYS 107 1HZ LYS 107 11.148 -0.022 -5.452 846 HZ3 LYS 107 2HZ LYS 107 12.524 -0.010 -4.556 847 H ASN 108 H ASN 108 9.851 -4.702 -8.326 848 HA ASN 108 HA ASN 108 11.747 -6.330 -9.869 849 HB2 ASN 108 1HB ASN 108 11.513 -6.361 -7.363 850 HB3 ASN 108 2HB ASN 108 9.945 -7.148 -7.569 851 HD21 ASN 108 2HD2 ASN 108 13.475 -7.478 -8.173 852 HD22 ASN 108 1HD2 ASN 108 13.446 -9.228 -8.269 853 H HIS 109 H HIS 109 8.225 -5.921 -9.787 854 HA HIS 109 HA HIS 109 7.961 -8.052 -11.899 855 HB2 HIS 109 1HB HIS 109 6.013 -7.382 -9.665 856 HB3 HIS 109 2HB HIS 109 5.774 -8.575 -10.935 857 HD2 HIS 109 2HD HIS 109 7.211 -8.185 -7.507 858 HE1 HIS 109 1HE HIS 109 8.474 -12.031 -8.820 859 HE2 HIS 109 2HE HIS 109 8.305 -10.476 -6.811 860 H CYS 110 H CYS 110 6.386 -5.043 -10.657 861 HA CYS 110 HA CYS 110 4.495 -4.926 -12.785 862 HB2 CYS 110 1HB CYS 110 5.414 -2.618 -11.046 863 HB3 CYS 110 2HB CYS 110 3.906 -2.751 -11.921 864 H GLN 111 H GLN 111 7.783 -4.203 -13.057 865 HA GLN 111 HA GLN 111 7.604 -2.148 -15.135 866 HB2 GLN 111 1HB GLN 111 9.883 -4.088 -14.552 867 HB3 GLN 111 2HB GLN 111 9.974 -2.586 -15.466 868 HG2 GLN 111 1HG GLN 111 9.504 -2.885 -12.477 869 HG3 GLN 111 2HG GLN 111 10.953 -2.286 -13.262 870 HE21 GLN 111 2HE2 GLN 111 8.137 -1.278 -11.687 871 HE22 GLN 111 1HE2 GLN 111 8.168 0.381 -12.268 872 H GLY 112 H GLY 112 7.336 -5.666 -15.084 873 HA2 GLY 112 1HA GLY 112 7.874 -5.969 -17.975 874 HA3 GLY 112 2HA GLY 112 7.484 -7.243 -16.797 875 H SER 113 H SER 113 5.100 -6.428 -15.745 876 HA SER 113 HA SER 113 3.137 -6.080 -17.944 877 HB2 SER 113 1HB SER 113 3.387 -8.609 -16.261 878 HB3 SER 113 2HB SER 113 1.996 -8.200 -17.272 879 HG SER 113 HG SER 113 3.475 -9.621 -18.335 880 H LEU 114 H LEU 114 1.175 -5.297 -17.251 881 HA LEU 114 HA LEU 114 0.576 -5.203 -14.333 882 HB2 LEU 114 1HB LEU 114 -0.134 -3.281 -16.591 883 HB3 LEU 114 2HB LEU 114 -0.757 -3.165 -14.953 884 HG LEU 114 HG LEU 114 2.202 -2.948 -15.671 885 HD11 LEU 114 1HD1 LEU 114 0.832 -1.130 -16.624 886 HD12 LEU 114 2HD1 LEU 114 0.185 -0.770 -15.003 887 HD13 LEU 114 3HD1 LEU 114 1.917 -0.554 -15.348 888 HD21 LEU 114 3HD2 LEU 114 2.351 -1.945 -13.364 889 HD22 LEU 114 1HD2 LEU 114 0.674 -2.455 -13.074 890 HD23 LEU 114 2HD2 LEU 114 1.943 -3.667 -13.357 891 HA PRO 115 HA PRO 115 -3.119 -7.474 -15.478 892 HB2 PRO 115 1HB PRO 115 -4.755 -7.005 -13.374 893 HB3 PRO 115 2HB PRO 115 -3.234 -7.939 -13.192 894 HG2 PRO 115 1HG PRO 115 -3.694 -4.992 -12.608 895 HG3 PRO 115 2HG PRO 115 -2.924 -6.223 -11.551 896 HD2 PRO 115 1HD PRO 115 -1.473 -4.547 -13.160 897 HD3 PRO 115 2HD PRO 115 -0.960 -6.236 -12.838 898 H ASP 116 H ASP 116 -5.377 -7.159 -16.071 899 HA ASP 116 HA ASP 116 -6.008 -4.487 -17.102 900 HB2 ASP 116 1HB ASP 116 -6.443 -6.491 -18.450 901 HB3 ASP 116 2HB ASP 116 -7.523 -7.117 -17.202 902 H ILE 117 H ILE 117 -7.796 -3.314 -16.607 903 HA ILE 117 HA ILE 117 -9.299 -3.818 -14.071 904 HB ILE 117 HB ILE 117 -9.104 -1.436 -13.492 905 HG12 ILE 117 1HG1 ILE 117 -6.996 -1.229 -15.696 906 HG13 ILE 117 2HG1 ILE 117 -8.652 -0.645 -15.863 907 HG21 ILE 117 1HG2 ILE 117 -7.571 -3.137 -12.504 908 HG22 ILE 117 2HG2 ILE 117 -6.357 -2.735 -13.729 909 HG23 ILE 117 3HG2 ILE 117 -6.870 -1.516 -12.545 910 HD11 ILE 117 3HD1 ILE 117 -7.222 1.190 -15.314 911 HD12 ILE 117 1HD1 ILE 117 -8.312 0.879 -13.943 912 HD13 ILE 117 2HD1 ILE 117 -6.608 0.349 -13.879 913 H SER 118 H SER 118 -9.554 -3.201 -17.401 914 HA SER 118 HA SER 118 -11.728 -1.326 -17.390 915 HB2 SER 118 1HB SER 118 -10.857 -3.350 -19.479 916 HB3 SER 118 2HB SER 118 -12.030 -2.048 -19.744 917 HG SER 118 HG SER 118 -9.867 -1.480 -20.393 918 H SER 119 H SER 119 -11.784 -4.594 -16.423 919 HA SER 119 HA SER 119 -14.660 -5.036 -16.920 920 HB2 SER 119 1HB SER 119 -14.176 -7.118 -15.610 921 HB3 SER 119 2HB SER 119 -13.212 -6.935 -17.086 922 HG SER 119 HG SER 119 -11.935 -7.600 -15.273 923 H CYS 120 H CYS 120 -12.818 -3.323 -14.615 924 HA CYS 120 HA CYS 120 -14.553 -3.900 -12.301 925 HB2 CYS 120 1HB CYS 120 -12.110 -2.130 -12.538 926 HB3 CYS 120 2HB CYS 120 -12.868 -2.688 -11.051 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -8.579 -8.147 10.591 2 H2 GLY 1 2H GLY 1 -7.138 -8.674 9.995 3 H3 GLY 1 3H GLY 1 -7.235 -7.200 10.710 4 HA2 GLY 1 1HA GLY 1 -8.612 -6.338 8.970 5 HA3 GLY 1 2HA GLY 1 -7.086 -6.994 8.341 6 H LYS 2 H LYS 2 -7.970 -7.316 6.293 7 HA LYS 2 HA LYS 2 -9.327 -9.852 5.859 8 HB2 LYS 2 1HB LYS 2 -11.252 -9.015 4.722 9 HB3 LYS 2 2HB LYS 2 -11.210 -8.254 6.311 10 HG2 LYS 2 1HG LYS 2 -10.285 -6.179 5.321 11 HG3 LYS 2 2HG LYS 2 -10.290 -6.924 3.719 12 HD2 LYS 2 1HD LYS 2 -12.785 -6.467 5.398 13 HD3 LYS 2 2HD LYS 2 -12.200 -5.389 4.122 14 HE2 LYS 2 1HE LYS 2 -12.364 -7.238 2.466 15 HE3 LYS 2 2HE LYS 2 -13.016 -8.299 3.722 16 HZ1 LYS 2 3HZ LYS 2 -14.785 -7.299 2.409 17 HZ2 LYS 2 1HZ LYS 2 -14.893 -6.769 3.950 18 HZ3 LYS 2 2HZ LYS 2 -14.291 -5.788 2.786 19 H THR 3 H THR 3 -9.598 -10.325 3.522 20 HA THR 3 HA THR 3 -7.399 -9.155 1.877 21 HB THR 3 HB THR 3 -8.659 -11.864 1.412 22 HG1 THR 3 1HG THR 3 -6.614 -11.123 3.228 23 HG21 THR 3 3HG2 THR 3 -6.407 -12.299 0.397 24 HG22 THR 3 1HG2 THR 3 -7.292 -11.005 -0.421 25 HG23 THR 3 2HG2 THR 3 -5.973 -10.601 0.695 26 H PHE 4 H PHE 4 -7.801 -8.355 -0.075 27 HA PHE 4 HA PHE 4 -10.627 -8.126 -1.004 28 HB2 PHE 4 1HB PHE 4 -8.142 -6.461 -1.615 29 HB3 PHE 4 2HB PHE 4 -9.686 -6.199 -2.356 30 HD1 PHE 4 1HD PHE 4 -8.079 -6.247 1.078 31 HD2 PHE 4 2HD PHE 4 -11.310 -4.771 -1.390 32 HE1 PHE 4 1HE PHE 4 -8.929 -4.908 2.966 33 HE2 PHE 4 2HE PHE 4 -12.144 -3.442 0.510 34 HZ PHE 4 HZ PHE 4 -10.974 -3.521 2.705 35 H THR 5 H THR 5 -11.044 -8.172 -3.268 36 HA THR 5 HA THR 5 -9.217 -9.842 -4.961 37 HB THR 5 HB THR 5 -11.489 -10.784 -4.629 38 HG1 THR 5 1HG THR 5 -11.686 -11.185 -6.831 39 HG21 THR 5 3HG2 THR 5 -13.415 -9.803 -5.739 40 HG22 THR 5 1HG2 THR 5 -12.808 -8.633 -4.560 41 HG23 THR 5 2HG2 THR 5 -12.465 -8.415 -6.294 42 H ARG 6 H ARG 6 -9.185 -9.078 -7.307 43 HA ARG 6 HA ARG 6 -8.025 -6.502 -7.243 44 HB2 ARG 6 1HB ARG 6 -7.495 -8.318 -8.859 45 HB3 ARG 6 2HB ARG 6 -8.987 -7.957 -9.737 46 HG2 ARG 6 1HG ARG 6 -8.198 -5.654 -10.180 47 HG3 ARG 6 2HG ARG 6 -6.747 -5.935 -9.205 48 HD2 ARG 6 1HD ARG 6 -7.483 -7.422 -11.756 49 HD3 ARG 6 2HD ARG 6 -6.337 -6.080 -11.649 50 HE ARG 6 HE ARG 6 -5.162 -7.648 -9.881 51 HH11 ARG 6 1HH1 ARG 6 -6.710 -8.917 -12.819 52 HH12 ARG 6 2HH1 ARG 6 -5.613 -10.262 -12.896 53 HH21 ARG 6 1HH2 ARG 6 -3.709 -9.231 -10.159 54 HH22 ARG 6 2HH2 ARG 6 -3.938 -10.467 -11.382 55 H CYS 7 H CYS 7 -11.244 -7.396 -8.608 56 HA CYS 7 HA CYS 7 -12.012 -4.738 -9.342 57 HB2 CYS 7 1HB CYS 7 -13.121 -6.831 -10.093 58 HB3 CYS 7 2HB CYS 7 -13.770 -7.064 -8.469 59 H GLY 8 H GLY 8 -12.324 -6.415 -6.216 60 HA2 GLY 8 1HA GLY 8 -13.826 -4.370 -4.850 61 HA3 GLY 8 2HA GLY 8 -12.809 -5.623 -4.094 62 H LEU 9 H LEU 9 -10.273 -5.028 -5.014 63 HA LEU 9 HA LEU 9 -9.496 -2.728 -3.522 64 HB2 LEU 9 1HB LEU 9 -8.113 -4.772 -3.936 65 HB3 LEU 9 2HB LEU 9 -7.976 -4.321 -5.640 66 HG LEU 9 HG LEU 9 -6.865 -2.202 -4.967 67 HD11 LEU 9 1HD1 LEU 9 -7.741 -1.830 -2.739 68 HD12 LEU 9 2HD1 LEU 9 -7.079 -3.374 -2.169 69 HD13 LEU 9 3HD1 LEU 9 -5.991 -2.025 -2.601 70 HD21 LEU 9 3HD2 LEU 9 -4.721 -3.135 -4.447 71 HD22 LEU 9 1HD2 LEU 9 -5.456 -4.605 -3.771 72 HD23 LEU 9 2HD2 LEU 9 -5.557 -4.270 -5.516 73 H VAL 10 H VAL 10 -9.731 -3.149 -7.105 74 HA VAL 10 HA VAL 10 -8.955 -0.568 -7.900 75 HB VAL 10 HB VAL 10 -11.110 -2.395 -9.030 76 HG11 VAL 10 1HG1 VAL 10 -11.821 -0.229 -9.790 77 HG12 VAL 10 2HG1 VAL 10 -10.165 0.267 -10.151 78 HG13 VAL 10 3HG1 VAL 10 -10.961 -0.973 -11.134 79 HG21 VAL 10 3HG2 VAL 10 -9.523 -2.827 -10.813 80 HG22 VAL 10 1HG2 VAL 10 -8.380 -1.640 -10.147 81 HG23 VAL 10 2HG2 VAL 10 -8.724 -3.136 -9.271 82 H HIS 11 H HIS 11 -12.170 -1.619 -6.768 83 HA HIS 11 HA HIS 11 -13.426 0.984 -6.939 84 HB2 HIS 11 1HB HIS 11 -14.146 -1.554 -5.429 85 HB3 HIS 11 2HB HIS 11 -15.151 -0.117 -5.464 86 HD2 HIS 11 2HD HIS 11 -13.792 -0.417 -8.901 87 HE1 HIS 11 1HE HIS 11 -17.451 -2.589 -8.981 88 HE2 HIS 11 2HE HIS 11 -15.654 -1.519 -10.417 89 H GLU 12 H GLU 12 -11.933 -0.766 -4.196 90 HA GLU 12 HA GLU 12 -12.604 1.142 -2.188 91 HB2 GLU 12 1HB GLU 12 -11.640 -1.351 -2.147 92 HB3 GLU 12 2HB GLU 12 -10.100 -0.538 -2.036 93 HG2 GLU 12 1HG GLU 12 -11.008 -1.193 0.143 94 HG3 GLU 12 2HG GLU 12 -10.810 0.567 0.021 95 H LEU 13 H LEU 13 -9.744 0.899 -4.284 96 HA LEU 13 HA LEU 13 -8.427 3.245 -3.163 97 HB2 LEU 13 1HB LEU 13 -8.134 1.824 -5.819 98 HB3 LEU 13 2HB LEU 13 -6.986 2.996 -5.181 99 HG LEU 13 HG LEU 13 -7.632 0.347 -3.883 100 HD11 LEU 13 1HD1 LEU 13 -6.507 0.053 -6.014 101 HD12 LEU 13 2HD1 LEU 13 -5.275 1.261 -5.563 102 HD13 LEU 13 3HD1 LEU 13 -5.364 -0.292 -4.697 103 HD21 LEU 13 3HD2 LEU 13 -5.664 0.740 -2.496 104 HD22 LEU 13 1HD2 LEU 13 -5.441 2.349 -3.239 105 HD23 LEU 13 2HD2 LEU 13 -6.865 2.007 -2.230 106 H ARG 14 H ARG 14 -10.580 2.750 -5.969 107 HA ARG 14 HA ARG 14 -10.600 5.472 -6.890 108 HB2 ARG 14 1HB ARG 14 -12.671 3.268 -7.008 109 HB3 ARG 14 2HB ARG 14 -13.011 4.880 -7.632 110 HG2 ARG 14 1HG ARG 14 -11.302 4.760 -9.284 111 HG3 ARG 14 2HG ARG 14 -10.602 3.296 -8.567 112 HD2 ARG 14 1HD ARG 14 -12.581 2.004 -9.080 113 HD3 ARG 14 2HD ARG 14 -13.419 3.447 -9.703 114 HE ARG 14 HE ARG 14 -11.022 3.117 -11.161 115 HH11 ARG 14 1HH1 ARG 14 -14.156 1.490 -10.813 116 HH12 ARG 14 2HH1 ARG 14 -13.971 0.624 -12.324 117 HH21 ARG 14 1HH2 ARG 14 -10.942 1.998 -13.182 118 HH22 ARG 14 2HH2 ARG 14 -12.259 0.936 -13.606 119 H LYS 15 H LYS 15 -12.534 3.919 -4.294 120 HA LYS 15 HA LYS 15 -14.009 6.271 -3.495 121 HB2 LYS 15 1HB LYS 15 -13.197 3.701 -2.084 122 HB3 LYS 15 2HB LYS 15 -14.183 4.936 -1.310 123 HG2 LYS 15 1HG LYS 15 -16.011 4.597 -2.750 124 HG3 LYS 15 2HG LYS 15 -15.047 3.768 -3.971 125 HD2 LYS 15 1HD LYS 15 -16.498 2.202 -2.734 126 HD3 LYS 15 2HD LYS 15 -14.786 1.811 -2.571 127 HE2 LYS 15 1HE LYS 15 -14.763 2.954 -0.336 128 HE3 LYS 15 2HE LYS 15 -16.504 3.237 -0.491 129 HZ1 LYS 15 3HZ LYS 15 -16.019 1.240 0.797 130 HZ2 LYS 15 1HZ LYS 15 -16.789 0.804 -0.583 131 HZ3 LYS 15 2HZ LYS 15 -15.166 0.576 -0.420 132 H HIS 16 H HIS 16 -10.787 5.096 -2.657 133 HA HIS 16 HA HIS 16 -10.424 7.119 -0.562 134 HB2 HIS 16 1HB HIS 16 -8.736 4.765 -1.496 135 HB3 HIS 16 2HB HIS 16 -8.325 5.831 -0.153 136 HD2 HIS 16 2HD HIS 16 -8.460 3.153 0.883 137 HE1 HIS 16 1HE HIS 16 -12.553 3.551 1.898 138 HE2 HIS 16 2HE HIS 16 -10.467 2.228 2.355 139 H GLY 17 H GLY 17 -10.086 7.472 -3.789 140 HA2 GLY 17 1HA GLY 17 -9.369 9.470 -4.776 141 HA3 GLY 17 2HA GLY 17 -8.346 9.828 -3.367 142 H PHE 18 H PHE 18 -8.270 6.844 -5.336 143 HA PHE 18 HA PHE 18 -5.518 7.509 -6.292 144 HB2 PHE 18 1HB PHE 18 -7.072 4.937 -6.104 145 HB3 PHE 18 2HB PHE 18 -5.527 5.077 -6.917 146 HD1 PHE 18 2HD PHE 18 -7.039 5.861 -3.512 147 HD2 PHE 18 1HD PHE 18 -3.628 4.471 -5.737 148 HE1 PHE 18 2HE PHE 18 -5.832 5.504 -1.419 149 HE2 PHE 18 1HE PHE 18 -2.423 4.038 -3.614 150 HZ PHE 18 HZ PHE 18 -3.515 4.547 -1.446 151 H GLU 19 H GLU 19 -5.115 7.723 -8.476 152 HA GLU 19 HA GLU 19 -7.376 8.456 -10.136 153 HB2 GLU 19 1HB GLU 19 -4.449 8.240 -10.901 154 HB3 GLU 19 2HB GLU 19 -5.712 9.111 -11.772 155 HG2 GLU 19 1HG GLU 19 -4.644 9.825 -9.009 156 HG3 GLU 19 2HG GLU 19 -4.205 10.594 -10.523 157 H GLU 20 H GLU 20 -8.186 7.491 -11.986 158 HA GLU 20 HA GLU 20 -8.071 4.647 -12.101 159 HB2 GLU 20 1HB GLU 20 -9.514 4.811 -14.026 160 HB3 GLU 20 2HB GLU 20 -10.091 5.752 -12.663 161 HG2 GLU 20 1HG GLU 20 -8.486 7.146 -14.830 162 HG3 GLU 20 2HG GLU 20 -10.142 6.656 -15.139 163 H ASN 21 H ASN 21 -6.105 7.025 -13.796 164 HA ASN 21 HA ASN 21 -5.097 5.072 -15.737 165 HB2 ASN 21 1HB ASN 21 -3.772 6.818 -16.589 166 HB3 ASN 21 2HB ASN 21 -5.358 7.506 -16.271 167 HD21 ASN 21 2HD2 ASN 21 -2.453 8.645 -16.394 168 HD22 ASN 21 1HD2 ASN 21 -2.354 9.585 -14.916 169 H LEU 22 H LEU 22 -4.358 5.893 -12.459 170 HA LEU 22 HA LEU 22 -1.665 4.589 -12.581 171 HB2 LEU 22 1HB LEU 22 -3.091 6.012 -10.300 172 HB3 LEU 22 2HB LEU 22 -1.450 5.375 -10.268 173 HG LEU 22 HG LEU 22 -2.451 7.702 -11.935 174 HD11 LEU 22 1HD1 LEU 22 -2.186 8.170 -9.527 175 HD12 LEU 22 2HD1 LEU 22 -0.513 7.572 -9.588 176 HD13 LEU 22 3HD1 LEU 22 -0.975 9.036 -10.485 177 HD21 LEU 22 3HD2 LEU 22 -0.081 8.070 -12.574 178 HD22 LEU 22 1HD2 LEU 22 0.362 6.535 -11.803 179 HD23 LEU 22 2HD2 LEU 22 -0.705 6.554 -13.226 180 H MET 23 H MET 23 -4.953 3.975 -11.665 181 HA MET 23 HA MET 23 -4.876 2.202 -9.643 182 HB2 MET 23 1HB MET 23 -6.814 3.143 -11.027 183 HB3 MET 23 2HB MET 23 -6.607 1.798 -12.110 184 HG2 MET 23 1HG MET 23 -8.420 1.388 -10.472 185 HG3 MET 23 2HG MET 23 -7.121 0.222 -10.242 186 HE1 MET 23 3HE MET 23 -8.203 3.826 -7.612 187 HE2 MET 23 1HE MET 23 -6.944 4.095 -8.841 188 HE3 MET 23 2HE MET 23 -8.568 3.580 -9.325 189 H ARG 24 H ARG 24 -4.327 1.155 -13.054 190 HA ARG 24 HA ARG 24 -3.920 -1.586 -12.599 191 HB2 ARG 24 1HB ARG 24 -2.523 0.209 -14.637 192 HB3 ARG 24 2HB ARG 24 -2.594 -1.557 -14.678 193 HG2 ARG 24 1HG ARG 24 -5.096 -1.419 -14.791 194 HG3 ARG 24 2HG ARG 24 -4.958 0.345 -14.900 195 HD2 ARG 24 1HD ARG 24 -5.231 -0.445 -17.122 196 HD3 ARG 24 2HD ARG 24 -3.536 0.047 -16.962 197 HE ARG 24 HE ARG 24 -3.914 -2.759 -16.347 198 HH11 ARG 24 1HH1 ARG 24 -3.744 -0.621 -19.163 199 HH12 ARG 24 2HH1 ARG 24 -3.211 -1.899 -20.213 200 HH21 ARG 24 1HH2 ARG 24 -3.148 -4.347 -17.747 201 HH22 ARG 24 2HH2 ARG 24 -2.912 -3.977 -19.426 202 H ASN 25 H ASN 25 -1.498 1.055 -12.324 203 HA ASN 25 HA ASN 25 0.733 -0.697 -11.655 204 HB2 ASN 25 1HB ASN 25 0.262 2.293 -11.306 205 HB3 ASN 25 2HB ASN 25 1.697 1.474 -10.713 206 HD21 ASN 25 2HD2 ASN 25 0.137 2.740 -13.589 207 HD22 ASN 25 1HD2 ASN 25 1.451 2.320 -14.669 208 H TRP 26 H TRP 26 -1.577 1.279 -9.704 209 HA TRP 26 HA TRP 26 -0.450 0.636 -7.190 210 HB2 TRP 26 1HB TRP 26 -3.180 1.604 -8.073 211 HB3 TRP 26 2HB TRP 26 -2.840 1.242 -6.390 212 HD1 TRP 26 HD TRP 26 -2.736 4.070 -8.669 213 HE1 TRP 26 1HE TRP 26 -1.473 6.039 -7.626 214 HE3 TRP 26 3HE TRP 26 -0.291 1.573 -4.926 215 HZ2 TRP 26 2HZ TRP 26 0.208 6.513 -5.313 216 HZ3 TRP 26 3HZ TRP 26 1.127 2.808 -3.311 217 HH2 TRP 26 HH TRP 26 1.367 5.274 -3.477 218 H VAL 27 H VAL 27 -3.261 -1.002 -8.809 219 HA VAL 27 HA VAL 27 -3.505 -2.867 -6.633 220 HB VAL 27 HB VAL 27 -4.949 -4.231 -7.894 221 HG11 VAL 27 1HG1 VAL 27 -5.771 -2.013 -7.110 222 HG12 VAL 27 2HG1 VAL 27 -5.512 -1.369 -8.741 223 HG13 VAL 27 3HG1 VAL 27 -6.670 -2.681 -8.479 224 HG21 VAL 27 3HG2 VAL 27 -5.430 -3.877 -10.315 225 HG22 VAL 27 1HG2 VAL 27 -4.008 -2.812 -10.406 226 HG23 VAL 27 2HG2 VAL 27 -3.822 -4.532 -9.983 227 H CYS 28 H CYS 28 -1.548 -3.054 -9.631 228 HA CYS 28 HA CYS 28 -0.708 -5.776 -9.238 229 HB2 CYS 28 1HB CYS 28 -0.642 -4.305 -11.311 230 HB3 CYS 28 2HB CYS 28 0.823 -3.577 -10.666 231 H LEU 29 H LEU 29 0.696 -2.668 -8.228 232 HA LEU 29 HA LEU 29 2.999 -3.637 -6.890 233 HB2 LEU 29 1HB LEU 29 2.564 -1.353 -7.645 234 HB3 LEU 29 2HB LEU 29 1.300 -1.145 -6.443 235 HG LEU 29 HG LEU 29 4.246 -1.604 -5.813 236 HD11 LEU 29 1HD1 LEU 29 3.829 0.506 -7.056 237 HD12 LEU 29 2HD1 LEU 29 2.614 0.972 -5.840 238 HD13 LEU 29 3HD1 LEU 29 4.326 0.809 -5.391 239 HD21 LEU 29 3HD2 LEU 29 3.528 -0.566 -3.588 240 HD22 LEU 29 1HD2 LEU 29 1.856 -0.892 -4.071 241 HD23 LEU 29 2HD2 LEU 29 3.029 -2.223 -3.871 242 H VAL 30 H VAL 30 -0.236 -2.814 -5.545 243 HA VAL 30 HA VAL 30 0.238 -3.763 -2.914 244 HB VAL 30 HB VAL 30 -2.296 -3.503 -4.555 245 HG11 VAL 30 1HG1 VAL 30 -2.843 -5.240 -2.944 246 HG12 VAL 30 2HG1 VAL 30 -2.079 -4.315 -1.632 247 HG13 VAL 30 3HG1 VAL 30 -3.565 -3.727 -2.419 248 HG21 VAL 30 3HG2 VAL 30 -2.685 -1.561 -3.116 249 HG22 VAL 30 1HG2 VAL 30 -1.244 -1.949 -2.148 250 HG23 VAL 30 2HG2 VAL 30 -1.071 -1.426 -3.831 251 H GLU 31 H GLU 31 -0.865 -5.603 -5.803 252 HA GLU 31 HA GLU 31 -1.362 -8.031 -4.353 253 HB2 GLU 31 1HB GLU 31 -0.872 -7.364 -7.281 254 HB3 GLU 31 2HB GLU 31 -1.055 -9.039 -6.748 255 HG2 GLU 31 1HG GLU 31 -3.258 -8.671 -5.919 256 HG3 GLU 31 2HG GLU 31 -3.151 -6.928 -6.133 257 H HIS 32 H HIS 32 1.691 -6.706 -5.782 258 HA HIS 32 HA HIS 32 3.105 -9.206 -5.311 259 HB2 HIS 32 1HB HIS 32 4.865 -8.253 -6.321 260 HB3 HIS 32 2HB HIS 32 3.610 -7.215 -6.989 261 HD2 HIS 32 2HD HIS 32 5.962 -7.054 -3.870 262 HE1 HIS 32 1HE HIS 32 5.779 -3.180 -5.589 263 HE2 HIS 32 2HE HIS 32 6.682 -4.549 -3.638 264 H GLU 33 H GLU 33 2.517 -6.233 -3.522 265 HA GLU 33 HA GLU 33 4.508 -6.715 -1.497 266 HB2 GLU 33 1HB GLU 33 2.270 -4.756 -1.934 267 HB3 GLU 33 2HB GLU 33 3.002 -4.841 -0.340 268 HG2 GLU 33 1HG GLU 33 4.313 -4.055 -2.926 269 HG3 GLU 33 2HG GLU 33 4.002 -3.053 -1.529 270 H SER 34 H SER 34 0.902 -6.564 -1.015 271 HA SER 34 HA SER 34 1.270 -8.381 1.348 272 HB2 SER 34 1HB SER 34 -0.780 -7.421 2.181 273 HB3 SER 34 2HB SER 34 0.345 -6.117 1.786 274 HG SER 34 HG SER 34 -0.990 -5.419 0.319 275 H SER 35 H SER 35 0.101 -8.455 -1.821 276 HA SER 35 HA SER 35 -1.292 -9.752 -3.025 277 HB2 SER 35 1HB SER 35 -1.701 -11.599 -0.663 278 HB3 SER 35 2HB SER 35 -2.000 -11.928 -2.368 279 HG SER 35 HG SER 35 0.306 -11.681 -2.716 280 H ARG 36 H ARG 36 -2.209 -7.465 -1.428 281 HA ARG 36 HA ARG 36 -4.044 -6.288 -1.067 282 HB2 ARG 36 1HB ARG 36 -5.976 -8.394 -1.974 283 HB3 ARG 36 2HB ARG 36 -6.052 -6.631 -2.072 284 HG2 ARG 36 1HG ARG 36 -4.306 -6.774 -3.918 285 HG3 ARG 36 2HG ARG 36 -4.496 -8.530 -3.837 286 HD2 ARG 36 1HD ARG 36 -7.129 -7.846 -3.956 287 HD3 ARG 36 2HD ARG 36 -6.464 -6.442 -4.757 288 HE ARG 36 HE ARG 36 -5.841 -7.731 -6.561 289 HH11 ARG 36 1HH1 ARG 36 -6.909 -10.010 -4.039 290 HH12 ARG 36 2HH1 ARG 36 -6.694 -11.369 -5.106 291 HH21 ARG 36 1HH2 ARG 36 -5.593 -9.428 -7.788 292 HH22 ARG 36 2HH2 ARG 36 -6.036 -11.051 -7.273 293 H ASP 37 H ASP 37 -2.980 -7.850 1.005 294 HA ASP 37 HA ASP 37 -5.418 -8.555 2.637 295 HB2 ASP 37 1HB ASP 37 -4.101 -10.555 2.054 296 HB3 ASP 37 2HB ASP 37 -2.671 -9.824 2.778 297 H THR 38 H THR 38 -5.825 -7.056 4.155 298 HA THR 38 HA THR 38 -3.798 -5.141 4.949 299 HB THR 38 HB THR 38 -5.374 -4.309 6.610 300 HG1 THR 38 1HG THR 38 -7.316 -5.189 6.862 301 HG21 THR 38 3HG2 THR 38 -7.196 -3.611 5.134 302 HG22 THR 38 1HG2 THR 38 -5.630 -3.494 4.324 303 HG23 THR 38 2HG2 THR 38 -6.739 -4.848 3.945 304 H SER 39 H SER 39 -4.822 -8.234 6.228 305 HA SER 39 HA SER 39 -3.739 -7.915 8.891 306 HB2 SER 39 1HB SER 39 -4.439 -10.393 7.277 307 HB3 SER 39 2HB SER 39 -4.088 -10.363 9.007 308 HG SER 39 HG SER 39 -6.360 -10.341 8.422 309 H LYS 40 H LYS 40 -2.072 -8.177 5.961 310 HA LYS 40 HA LYS 40 -0.118 -10.145 6.717 311 HB2 LYS 40 1HB LYS 40 -0.956 -9.498 4.369 312 HB3 LYS 40 2HB LYS 40 0.057 -8.084 4.492 313 HG2 LYS 40 1HG LYS 40 1.271 -9.732 3.255 314 HG3 LYS 40 2HG LYS 40 2.065 -9.577 4.800 315 HD2 LYS 40 1HD LYS 40 1.930 -11.922 4.057 316 HD3 LYS 40 2HD LYS 40 1.102 -11.675 5.580 317 HE2 LYS 40 1HE LYS 40 -0.225 -13.157 4.252 318 HE3 LYS 40 2HE LYS 40 -1.096 -11.635 4.392 319 HZ1 LYS 40 3HZ LYS 40 -1.101 -12.561 2.128 320 HZ2 LYS 40 1HZ LYS 40 -0.419 -11.085 2.129 321 HZ3 LYS 40 2HZ LYS 40 0.522 -12.428 2.026 322 H THR 41 H THR 41 1.992 -9.960 7.265 323 HA THR 41 HA THR 41 3.327 -7.413 7.854 324 HB THR 41 HB THR 41 3.973 -8.232 10.143 325 HG1 THR 41 1HG THR 41 2.464 -9.755 11.079 326 HG21 THR 41 3HG2 THR 41 2.082 -7.465 11.366 327 HG22 THR 41 1HG2 THR 41 2.269 -6.461 9.941 328 HG23 THR 41 2HG2 THR 41 0.993 -7.703 9.969 329 H ASN 42 H ASN 42 5.588 -7.694 8.319 330 HA ASN 42 HA ASN 42 6.803 -10.360 8.132 331 HB2 ASN 42 1HB ASN 42 6.638 -8.477 5.852 332 HB3 ASN 42 2HB ASN 42 8.268 -8.997 6.167 333 HD21 ASN 42 2HD2 ASN 42 5.710 -9.662 4.254 334 HD22 ASN 42 1HD2 ASN 42 5.937 -11.391 4.033 335 H THR 43 H THR 43 8.647 -10.453 9.317 336 HA THR 43 HA THR 43 9.670 -8.029 10.634 337 HB THR 43 HB THR 43 10.705 -10.876 10.859 338 HG1 THR 43 1HG THR 43 9.257 -11.097 12.514 339 HG21 THR 43 3HG2 THR 43 11.352 -10.094 13.147 340 HG22 THR 43 1HG2 THR 43 12.181 -9.179 11.886 341 HG23 THR 43 2HG2 THR 43 10.799 -8.457 12.735 342 H ASN 44 H ASN 44 11.528 -7.007 10.259 343 HA ASN 44 HA ASN 44 13.070 -7.668 7.813 344 HB2 ASN 44 1HB ASN 44 13.147 -5.252 9.656 345 HB3 ASN 44 2HB ASN 44 14.005 -5.399 8.128 346 HD21 ASN 44 2HD2 ASN 44 11.904 -3.502 9.103 347 HD22 ASN 44 1HD2 ASN 44 10.695 -3.512 7.815 348 H ARG 45 H ARG 45 15.393 -7.597 7.832 349 HA ARG 45 HA ARG 45 16.649 -9.175 9.860 350 HB2 ARG 45 1HB ARG 45 17.961 -7.431 7.731 351 HB3 ARG 45 2HB ARG 45 18.734 -8.733 8.649 352 HG2 ARG 45 1HG ARG 45 17.058 -10.344 7.688 353 HG3 ARG 45 2HG ARG 45 16.433 -9.026 6.677 354 HD2 ARG 45 1HD ARG 45 18.665 -8.750 5.642 355 HD3 ARG 45 2HD ARG 45 19.305 -10.065 6.627 356 HE ARG 45 HE ARG 45 17.582 -10.251 4.260 357 HH11 ARG 45 1HH1 ARG 45 18.752 -12.090 7.053 358 HH12 ARG 45 2HH1 ARG 45 18.410 -13.618 6.298 359 HH21 ARG 45 1HH2 ARG 45 17.165 -12.250 3.357 360 HH22 ARG 45 2HH2 ARG 45 17.521 -13.705 4.238 361 H ASN 46 H ASN 46 16.241 -5.758 9.603 362 HA ASN 46 HA ASN 46 18.260 -5.096 11.653 363 HB2 ASN 46 1HB ASN 46 16.366 -3.324 10.066 364 HB3 ASN 46 2HB ASN 46 17.696 -2.768 11.084 365 HD21 ASN 46 2HD2 ASN 46 17.068 -2.764 7.990 366 HD22 ASN 46 1HD2 ASN 46 18.617 -3.254 7.329 367 H GLY 47 H GLY 47 15.331 -6.421 12.078 368 HA2 GLY 47 1HA GLY 47 14.304 -6.775 14.115 369 HA3 GLY 47 2HA GLY 47 15.102 -5.344 14.799 370 H SER 48 H SER 48 13.713 -4.118 12.094 371 HA SER 48 HA SER 48 11.228 -3.198 13.382 372 HB2 SER 48 1HB SER 48 11.022 -2.027 11.112 373 HB3 SER 48 2HB SER 48 12.356 -1.550 12.165 374 HG SER 48 HG SER 48 13.225 -1.824 10.140 375 H LYS 49 H LYS 49 9.220 -3.254 11.884 376 HA LYS 49 HA LYS 49 8.957 -5.837 10.421 377 HB2 LYS 49 1HB LYS 49 7.900 -5.588 12.944 378 HB3 LYS 49 2HB LYS 49 6.602 -4.904 11.987 379 HG2 LYS 49 1HG LYS 49 6.512 -7.017 10.650 380 HG3 LYS 49 2HG LYS 49 7.769 -7.680 11.719 381 HD2 LYS 49 1HD LYS 49 6.189 -7.176 13.677 382 HD3 LYS 49 2HD LYS 49 4.969 -6.755 12.473 383 HE2 LYS 49 1HE LYS 49 4.494 -8.987 13.081 384 HE3 LYS 49 2HE LYS 49 5.254 -9.092 11.489 385 HZ1 LYS 49 3HZ LYS 49 6.142 -10.735 13.046 386 HZ2 LYS 49 1HZ LYS 49 7.335 -9.715 12.601 387 HZ3 LYS 49 2HZ LYS 49 6.637 -9.570 14.076 388 H ASP 50 H ASP 50 7.101 -5.861 8.982 389 HA ASP 50 HA ASP 50 6.250 -3.189 7.995 390 HB2 ASP 50 1HB ASP 50 6.562 -3.779 5.912 391 HB3 ASP 50 2HB ASP 50 7.639 -4.989 6.572 392 H TYR 51 H TYR 51 4.111 -2.809 7.557 393 HA TYR 51 HA TYR 51 2.056 -4.713 8.591 394 HB2 TYR 51 1HB TYR 51 2.465 -1.781 9.302 395 HB3 TYR 51 2HB TYR 51 1.114 -2.774 9.833 396 HD1 TYR 51 2HD TYR 51 4.688 -2.001 10.238 397 HD2 TYR 51 1HD TYR 51 1.406 -4.413 11.633 398 HE1 TYR 51 2HE TYR 51 5.961 -2.528 12.286 399 HE2 TYR 51 1HE TYR 51 2.671 -4.936 13.716 400 HH TYR 51 HH TYR 51 5.950 -3.607 14.335 401 H GLY 52 H GLY 52 0.057 -4.633 7.667 402 HA2 GLY 52 1HA GLY 52 -1.805 -3.769 6.592 403 HA3 GLY 52 2HA GLY 52 -0.955 -2.229 6.393 404 H LEU 53 H LEU 53 -2.445 -2.618 4.433 405 HA LEU 53 HA LEU 53 -1.865 -4.557 2.540 406 HB2 LEU 53 1HB LEU 53 -3.826 -2.669 2.854 407 HB3 LEU 53 2HB LEU 53 -2.870 -1.840 1.638 408 HG LEU 53 HG LEU 53 -2.996 -4.226 0.398 409 HD11 LEU 53 1HD1 LEU 53 -4.130 -5.349 2.245 410 HD12 LEU 53 2HD1 LEU 53 -5.475 -4.182 2.155 411 HD13 LEU 53 3HD1 LEU 53 -5.197 -5.279 0.819 412 HD21 LEU 53 3HD2 LEU 53 -5.045 -3.543 -0.719 413 HD22 LEU 53 1HD2 LEU 53 -5.326 -2.299 0.534 414 HD23 LEU 53 2HD2 LEU 53 -3.914 -2.179 -0.550 415 H PHE 54 H PHE 54 -0.217 -1.491 2.844 416 HA PHE 54 HA PHE 54 1.274 -1.966 0.307 417 HB2 PHE 54 1HB PHE 54 1.126 0.474 2.097 418 HB3 PHE 54 2HB PHE 54 2.006 0.372 0.582 419 HD1 PHE 54 2HD PHE 54 -1.394 0.404 2.074 420 HD2 PHE 54 1HD PHE 54 0.888 0.562 -1.571 421 HE1 PHE 54 2HE PHE 54 -3.437 1.035 0.841 422 HE2 PHE 54 1HE PHE 54 -1.160 1.237 -2.803 423 HZ PHE 54 HZ PHE 54 -3.323 1.474 -1.612 424 H GLN 55 H GLN 55 1.592 -3.131 3.282 425 HA GLN 55 HA GLN 55 3.258 -3.932 4.581 426 HB2 GLN 55 1HB GLN 55 4.720 -3.852 1.920 427 HB3 GLN 55 2HB GLN 55 5.237 -4.780 3.314 428 HG2 GLN 55 1HG GLN 55 2.598 -5.175 1.826 429 HG3 GLN 55 2HG GLN 55 4.071 -6.100 1.559 430 HE21 GLN 55 2HE2 GLN 55 1.469 -5.455 3.989 431 HE22 GLN 55 1HE2 GLN 55 1.851 -6.865 4.926 432 H ILE 56 H ILE 56 2.996 -1.546 5.330 433 HA ILE 56 HA ILE 56 5.233 0.264 4.803 434 HB ILE 56 HB ILE 56 2.883 0.677 6.715 435 HG12 ILE 56 1HG1 ILE 56 3.089 1.154 3.694 436 HG13 ILE 56 2HG1 ILE 56 1.948 0.051 4.493 437 HG21 ILE 56 1HG2 ILE 56 4.766 2.245 6.878 438 HG22 ILE 56 2HG2 ILE 56 4.589 2.637 5.149 439 HG23 ILE 56 3HG2 ILE 56 3.301 3.027 6.316 440 HD11 ILE 56 3HD1 ILE 56 0.639 1.885 3.874 441 HD12 ILE 56 1HD1 ILE 56 0.940 2.147 5.603 442 HD13 ILE 56 2HD1 ILE 56 1.865 3.049 4.371 443 H ASN 57 H ASN 57 6.869 0.849 6.223 444 HA ASN 57 HA ASN 57 7.239 -1.011 8.482 445 HB2 ASN 57 1HB ASN 57 9.167 0.798 6.994 446 HB3 ASN 57 2HB ASN 57 9.612 -0.253 8.348 447 HD21 ASN 57 2HD2 ASN 57 8.628 -2.643 7.996 448 HD22 ASN 57 1HD2 ASN 57 9.003 -3.299 6.404 449 H ASP 58 H ASP 58 7.582 -0.535 10.538 450 HA ASP 58 HA ASP 58 6.561 1.834 11.659 451 HB2 ASP 58 1HB ASP 58 7.042 0.888 13.743 452 HB3 ASP 58 2HB ASP 58 6.552 -0.418 12.675 453 H ARG 59 H ARG 59 9.639 1.388 10.411 454 HA ARG 59 HA ARG 59 10.989 3.381 12.146 455 HB2 ARG 59 1HB ARG 59 11.846 1.070 11.695 456 HB3 ARG 59 2HB ARG 59 12.149 1.523 10.030 457 HG2 ARG 59 1HG ARG 59 13.805 3.158 10.679 458 HG3 ARG 59 2HG ARG 59 13.347 3.040 12.382 459 HD2 ARG 59 1HD ARG 59 14.552 0.773 10.742 460 HD3 ARG 59 2HD ARG 59 15.484 1.868 11.780 461 HE ARG 59 HE ARG 59 13.474 0.822 13.416 462 HH11 ARG 59 1HH1 ARG 59 16.284 -0.470 11.696 463 HH12 ARG 59 2HH1 ARG 59 16.407 -1.840 12.779 464 HH21 ARG 59 1HH2 ARG 59 13.756 -0.969 14.787 465 HH22 ARG 59 2HH2 ARG 59 15.048 -2.092 14.468 466 H TYR 60 H TYR 60 9.214 3.425 9.370 467 HA TYR 60 HA TYR 60 10.755 5.683 8.101 468 HB2 TYR 60 1HB TYR 60 9.382 3.310 6.796 469 HB3 TYR 60 2HB TYR 60 9.963 4.723 5.932 470 HD1 TYR 60 2HD TYR 60 11.083 1.819 7.973 471 HD2 TYR 60 1HD TYR 60 12.211 4.984 5.290 472 HE1 TYR 60 2HE TYR 60 13.335 0.781 7.720 473 HE2 TYR 60 1HE TYR 60 14.478 3.969 5.038 474 HH TYR 60 HH TYR 60 15.410 0.940 6.731 475 H TRP 61 H TRP 61 7.443 4.305 8.491 476 HA TRP 61 HA TRP 61 6.326 6.965 7.639 477 HB2 TRP 61 1HB TRP 61 5.532 4.271 6.579 478 HB3 TRP 61 2HB TRP 61 4.849 5.795 6.071 479 HD1 TRP 61 HD TRP 61 7.267 3.251 5.116 480 HE1 TRP 61 1HE TRP 61 8.805 4.020 3.216 481 HE3 TRP 61 3HE TRP 61 6.241 8.276 5.217 482 HZ2 TRP 61 2HZ TRP 61 9.439 6.479 1.849 483 HZ3 TRP 61 3HZ TRP 61 7.236 9.788 3.530 484 HH2 TRP 61 HH TRP 61 8.864 8.900 1.856 485 H CYS 62 H CYS 62 5.469 3.754 9.093 486 HA CYS 62 HA CYS 62 3.308 5.154 10.628 487 HB2 CYS 62 1HB CYS 62 2.572 2.813 11.171 488 HB3 CYS 62 2HB CYS 62 2.346 3.350 9.520 489 H SER 63 H SER 63 3.006 4.388 12.864 490 HA SER 63 HA SER 63 5.620 4.111 14.306 491 HB2 SER 63 1HB SER 63 4.047 6.276 14.366 492 HB3 SER 63 2HB SER 63 3.194 5.321 15.576 493 HG SER 63 HG SER 63 4.788 6.381 16.697 494 H LYS 64 H LYS 64 5.797 2.699 15.976 495 HA LYS 64 HA LYS 64 3.741 0.555 16.087 496 HB2 LYS 64 1HB LYS 64 5.571 -0.832 16.928 497 HB3 LYS 64 2HB LYS 64 5.850 -0.176 15.323 498 HG2 LYS 64 1HG LYS 64 7.470 1.358 16.064 499 HG3 LYS 64 2HG LYS 64 6.883 1.350 17.737 500 HD2 LYS 64 1HD LYS 64 7.652 -0.907 18.090 501 HD3 LYS 64 2HD LYS 64 8.261 -1.023 16.417 502 HE2 LYS 64 1HE LYS 64 9.080 1.051 18.479 503 HE3 LYS 64 2HE LYS 64 9.986 -0.450 18.175 504 HZ1 LYS 64 3HZ LYS 64 11.052 1.185 16.868 505 HZ2 LYS 64 1HZ LYS 64 10.097 0.399 15.771 506 HZ3 LYS 64 2HZ LYS 64 9.654 1.850 16.345 507 H GLY 65 H GLY 65 4.605 3.079 18.111 508 HA2 GLY 65 1HA GLY 65 4.504 1.678 20.685 509 HA3 GLY 65 2HA GLY 65 4.627 3.416 20.413 510 H ALA 66 H ALA 66 3.079 3.704 22.129 511 HA ALA 66 HA ALA 66 0.403 2.573 21.980 512 HB1 ALA 66 1HB ALA 66 1.573 3.063 24.109 513 HB2 ALA 66 2HB ALA 66 1.551 4.802 23.722 514 HB3 ALA 66 3HB ALA 66 0.031 3.927 23.997 515 H SER 67 H SER 67 1.710 4.989 20.104 516 HA SER 67 HA SER 67 -0.881 6.207 19.435 517 HB2 SER 67 1HB SER 67 -0.032 8.493 19.897 518 HB3 SER 67 2HB SER 67 -0.184 7.503 21.355 519 HG SER 67 HG SER 67 1.798 8.675 21.309 520 HA PRO 68 HA PRO 68 1.227 6.777 15.463 521 HB2 PRO 68 1HB PRO 68 -0.223 8.776 14.331 522 HB3 PRO 68 2HB PRO 68 -0.911 7.141 14.601 523 HG2 PRO 68 1HG PRO 68 -1.218 9.594 16.360 524 HG3 PRO 68 2HG PRO 68 -2.505 8.511 15.736 525 HD2 PRO 68 1HD PRO 68 -1.448 8.201 18.221 526 HD3 PRO 68 2HD PRO 68 -1.914 6.788 17.230 527 H GLY 69 H GLY 69 2.574 8.415 14.331 528 HA2 GLY 69 1HA GLY 69 3.229 10.981 15.152 529 HA3 GLY 69 2HA GLY 69 4.091 9.973 16.301 530 H LYS 70 H LYS 70 3.580 10.510 12.857 531 HA LYS 70 HA LYS 70 6.415 10.312 12.143 532 HB2 LYS 70 1HB LYS 70 4.309 8.363 11.076 533 HB3 LYS 70 2HB LYS 70 5.868 8.607 10.296 534 HG2 LYS 70 1HG LYS 70 5.452 7.482 13.057 535 HG3 LYS 70 2HG LYS 70 5.782 6.586 11.587 536 HD2 LYS 70 1HD LYS 70 7.975 7.520 11.356 537 HD3 LYS 70 2HD LYS 70 7.739 8.612 12.726 538 HE2 LYS 70 1HE LYS 70 7.659 5.565 12.942 539 HE3 LYS 70 2HE LYS 70 9.110 6.539 13.195 540 HZ1 LYS 70 3HZ LYS 70 8.115 6.152 15.309 541 HZ2 LYS 70 1HZ LYS 70 7.870 7.734 14.971 542 HZ3 LYS 70 2HZ LYS 70 6.642 6.666 14.844 543 H ASP 71 H ASP 71 6.469 10.484 9.581 544 HA ASP 71 HA ASP 71 5.307 12.989 8.822 545 HB2 ASP 71 1HB ASP 71 7.421 11.959 7.924 546 HB3 ASP 71 2HB ASP 71 6.431 10.827 7.000 547 H CYS 72 H CYS 72 4.078 9.710 8.489 548 HA CYS 72 HA CYS 72 1.714 10.639 6.923 549 HB2 CYS 72 1HB CYS 72 2.519 7.839 7.736 550 HB3 CYS 72 2HB CYS 72 1.239 8.291 6.624 551 H ASN 73 H ASN 73 2.492 10.497 10.162 552 HA ASN 73 HA ASN 73 1.353 10.406 12.103 553 HB2 ASN 73 1HB ASN 73 0.771 12.554 10.972 554 HB3 ASN 73 2HB ASN 73 -0.725 11.818 10.393 555 HD21 ASN 73 2HD2 ASN 73 -1.989 13.402 11.580 556 HD22 ASN 73 1HD2 ASN 73 -2.127 13.303 13.326 557 H VAL 74 H VAL 74 1.216 7.927 11.392 558 HA VAL 74 HA VAL 74 -1.476 6.973 12.121 559 HB VAL 74 HB VAL 74 -1.452 7.218 9.648 560 HG11 VAL 74 1HG1 VAL 74 0.947 6.722 9.210 561 HG12 VAL 74 2HG1 VAL 74 0.662 5.021 9.641 562 HG13 VAL 74 3HG1 VAL 74 -0.145 5.724 8.236 563 HG21 VAL 74 3HG2 VAL 74 -2.414 5.069 9.148 564 HG22 VAL 74 1HG2 VAL 74 -1.616 4.325 10.548 565 HG23 VAL 74 2HG2 VAL 74 -2.882 5.553 10.785 566 H LYS 75 H LYS 75 -1.547 5.032 13.085 567 HA LYS 75 HA LYS 75 0.990 3.971 14.134 568 HB2 LYS 75 1HB LYS 75 -1.150 4.734 15.421 569 HB3 LYS 75 2HB LYS 75 -1.795 3.151 14.975 570 HG2 LYS 75 1HG LYS 75 0.097 2.056 16.159 571 HG3 LYS 75 2HG LYS 75 0.813 3.643 16.463 572 HD2 LYS 75 1HD LYS 75 -0.167 3.064 18.473 573 HD3 LYS 75 2HD LYS 75 -1.257 4.258 17.806 574 HE2 LYS 75 1HE LYS 75 -1.789 1.291 17.385 575 HE3 LYS 75 2HE LYS 75 -2.077 2.009 18.967 576 HZ1 LYS 75 3HZ LYS 75 -4.089 2.076 17.701 577 HZ2 LYS 75 1HZ LYS 75 -3.588 3.610 17.909 578 HZ3 LYS 75 2HZ LYS 75 -3.420 2.868 16.453 579 H CYS 76 H CYS 76 1.792 1.962 13.680 580 HA CYS 76 HA CYS 76 1.291 0.438 11.415 581 HB2 CYS 76 1HB CYS 76 2.257 -0.538 14.138 582 HB3 CYS 76 2HB CYS 76 2.518 -1.342 12.599 583 H SER 77 H SER 77 -0.277 -0.054 14.611 584 HA SER 77 HA SER 77 -1.590 -2.519 13.873 585 HB2 SER 77 1HB SER 77 -1.025 -1.717 16.200 586 HB3 SER 77 2HB SER 77 -2.392 -0.591 16.073 587 HG SER 77 HG SER 77 -2.948 -2.606 17.096 588 H ASP 78 H ASP 78 -2.590 0.903 13.490 589 HA ASP 78 HA ASP 78 -5.363 0.289 12.865 590 HB2 ASP 78 1HB ASP 78 -3.600 2.720 12.409 591 HB3 ASP 78 2HB ASP 78 -5.245 2.622 11.814 592 H LEU 79 H LEU 79 -2.391 0.005 11.089 593 HA LEU 79 HA LEU 79 -3.581 0.078 8.430 594 HB2 LEU 79 1HB LEU 79 -0.958 -1.276 9.157 595 HB3 LEU 79 2HB LEU 79 -1.482 -0.603 7.621 596 HG LEU 79 HG LEU 79 -0.674 0.979 10.085 597 HD11 LEU 79 1HD1 LEU 79 1.198 0.011 8.882 598 HD12 LEU 79 2HD1 LEU 79 0.547 0.562 7.325 599 HD13 LEU 79 3HD1 LEU 79 1.132 1.742 8.512 600 HD21 LEU 79 3HD2 LEU 79 -0.899 2.978 8.592 601 HD22 LEU 79 1HD2 LEU 79 -1.689 1.939 7.392 602 HD23 LEU 79 2HD2 LEU 79 -2.456 2.225 8.968 603 H LEU 80 H LEU 80 -3.628 -2.237 10.936 604 HA LEU 80 HA LEU 80 -3.957 -4.560 9.139 605 HB2 LEU 80 1HB LEU 80 -3.918 -4.464 12.168 606 HB3 LEU 80 2HB LEU 80 -3.810 -5.897 11.154 607 HG LEU 80 HG LEU 80 -1.711 -3.709 11.367 608 HD11 LEU 80 1HD1 LEU 80 -1.901 -5.145 13.368 609 HD12 LEU 80 2HD1 LEU 80 -1.743 -6.595 12.354 610 HD13 LEU 80 3HD1 LEU 80 -0.388 -5.463 12.509 611 HD21 LEU 80 3HD2 LEU 80 -0.259 -5.238 10.043 612 HD22 LEU 80 1HD2 LEU 80 -1.658 -6.297 9.757 613 HD23 LEU 80 2HD2 LEU 80 -1.634 -4.638 9.114 614 H THR 81 H THR 81 -6.024 -2.236 9.899 615 HA THR 81 HA THR 81 -8.306 -3.744 10.942 616 HB THR 81 HB THR 81 -9.555 -1.640 10.632 617 HG1 THR 81 1HG THR 81 -7.151 -0.362 9.951 618 HG21 THR 81 3HG2 THR 81 -8.309 -0.284 12.270 619 HG22 THR 81 1HG2 THR 81 -8.380 -1.993 12.732 620 HG23 THR 81 2HG2 THR 81 -6.883 -1.323 12.061 621 H ASP 82 H ASP 82 -10.490 -3.248 9.726 622 HA ASP 82 HA ASP 82 -10.347 -4.854 7.289 623 HB2 ASP 82 1HB ASP 82 -12.736 -5.034 7.581 624 HB3 ASP 82 2HB ASP 82 -11.922 -5.339 9.114 625 H ASP 83 H ASP 83 -10.169 -1.608 7.757 626 HA ASP 83 HA ASP 83 -11.105 -1.042 4.967 627 HB2 ASP 83 1HB ASP 83 -12.459 0.168 6.688 628 HB3 ASP 83 2HB ASP 83 -10.992 1.001 7.206 629 H ILE 84 H ILE 84 -9.523 -0.620 3.641 630 HA ILE 84 HA ILE 84 -6.767 -0.681 4.460 631 HB ILE 84 HB ILE 84 -6.228 -0.557 2.144 632 HG12 ILE 84 1HG1 ILE 84 -9.077 0.399 1.610 633 HG13 ILE 84 2HG1 ILE 84 -7.621 1.393 1.577 634 HG21 ILE 84 1HG2 ILE 84 -7.432 -2.644 2.954 635 HG22 ILE 84 2HG2 ILE 84 -8.910 -2.006 2.231 636 HG23 ILE 84 3HG2 ILE 84 -7.517 -2.393 1.212 637 HD11 ILE 84 3HD1 ILE 84 -8.264 0.882 -0.659 638 HD12 ILE 84 1HD1 ILE 84 -6.705 0.096 -0.277 639 HD13 ILE 84 2HD1 ILE 84 -8.213 -0.860 -0.344 640 H THR 85 H THR 85 -8.924 1.973 4.378 641 HA THR 85 HA THR 85 -7.500 4.043 3.229 642 HB THR 85 HB THR 85 -9.824 4.121 3.898 643 HG1 THR 85 1HG THR 85 -9.757 6.305 4.360 644 HG21 THR 85 3HG2 THR 85 -10.530 4.737 6.108 645 HG22 THR 85 1HG2 THR 85 -9.546 3.274 6.269 646 HG23 THR 85 2HG2 THR 85 -8.854 4.857 6.690 647 H LYS 86 H LYS 86 -6.996 2.873 6.541 648 HA LYS 86 HA LYS 86 -5.262 4.991 7.392 649 HB2 LYS 86 1HB LYS 86 -5.207 2.051 8.202 650 HB3 LYS 86 2HB LYS 86 -4.558 3.404 9.126 651 HG2 LYS 86 1HG LYS 86 -7.506 2.888 8.532 652 HG3 LYS 86 2HG LYS 86 -6.681 2.587 10.048 653 HD2 LYS 86 1HD LYS 86 -6.177 5.043 10.236 654 HD3 LYS 86 2HD LYS 86 -7.154 5.312 8.769 655 HE2 LYS 86 1HE LYS 86 -9.113 4.267 9.883 656 HE3 LYS 86 2HE LYS 86 -8.146 3.984 11.335 657 HZ1 LYS 86 3HZ LYS 86 -9.480 5.992 11.543 658 HZ2 LYS 86 1HZ LYS 86 -7.899 6.393 11.565 659 HZ3 LYS 86 2HZ LYS 86 -8.794 6.660 10.220 660 H ALA 87 H ALA 87 -4.647 2.120 5.445 661 HA ALA 87 HA ALA 87 -1.721 2.596 5.322 662 HB1 ALA 87 1HB ALA 87 -2.802 0.283 5.559 663 HB2 ALA 87 2HB ALA 87 -3.400 0.483 3.894 664 HB3 ALA 87 3HB ALA 87 -1.650 0.467 4.235 665 H ALA 88 H ALA 88 -4.615 2.813 3.237 666 HA ALA 88 HA ALA 88 -3.224 3.469 0.845 667 HB1 ALA 88 1HB ALA 88 -5.561 2.565 1.044 668 HB2 ALA 88 2HB ALA 88 -6.091 4.173 1.606 669 HB3 ALA 88 3HB ALA 88 -5.414 3.968 -0.015 670 H LYS 89 H LYS 89 -4.682 5.696 3.300 671 HA LYS 89 HA LYS 89 -3.925 8.097 1.869 672 HB2 LYS 89 1HB LYS 89 -4.537 7.519 4.786 673 HB3 LYS 89 2HB LYS 89 -4.245 9.144 4.138 674 HG2 LYS 89 1HG LYS 89 -6.166 8.953 2.622 675 HG3 LYS 89 2HG LYS 89 -6.440 7.281 3.113 676 HD2 LYS 89 1HD LYS 89 -8.048 8.689 4.211 677 HD3 LYS 89 2HD LYS 89 -6.946 8.016 5.421 678 HE2 LYS 89 1HE LYS 89 -5.687 10.155 5.478 679 HE3 LYS 89 2HE LYS 89 -6.722 10.813 4.202 680 HZ1 LYS 89 3HZ LYS 89 -7.444 11.547 6.394 681 HZ2 LYS 89 1HZ LYS 89 -8.609 10.620 5.723 682 HZ3 LYS 89 2HZ LYS 89 -7.654 10.010 6.904 683 H CYS 90 H CYS 90 -2.195 6.031 4.147 684 HA CYS 90 HA CYS 90 0.169 7.728 4.389 685 HB2 CYS 90 1HB CYS 90 -0.436 6.067 6.050 686 HB3 CYS 90 2HB CYS 90 -0.303 4.763 4.872 687 H ALA 91 H ALA 91 -0.772 5.031 2.197 688 HA ALA 91 HA ALA 91 1.572 5.030 0.615 689 HB1 ALA 91 1HB ALA 91 -0.223 3.306 0.633 690 HB2 ALA 91 2HB ALA 91 -1.278 4.419 -0.247 691 HB3 ALA 91 3HB ALA 91 0.216 3.845 -1.004 692 H LYS 92 H LYS 92 -1.393 7.156 0.214 693 HA LYS 92 HA LYS 92 -0.330 8.578 -2.019 694 HB2 LYS 92 1HB LYS 92 -2.001 9.814 0.199 695 HB3 LYS 92 2HB LYS 92 -1.832 10.369 -1.456 696 HG2 LYS 92 1HG LYS 92 -3.356 7.971 -0.432 697 HG3 LYS 92 2HG LYS 92 -3.982 9.392 -1.186 698 HD2 LYS 92 1HD LYS 92 -2.445 7.128 -2.493 699 HD3 LYS 92 2HD LYS 92 -4.134 7.537 -2.707 700 HE2 LYS 92 1HE LYS 92 -1.780 9.253 -3.632 701 HE3 LYS 92 2HE LYS 92 -2.734 8.179 -4.656 702 HZ1 LYS 92 3HZ LYS 92 -3.484 10.480 -4.821 703 HZ2 LYS 92 1HZ LYS 92 -4.684 9.555 -4.219 704 HZ3 LYS 92 2HZ LYS 92 -3.832 10.542 -3.227 705 H LYS 93 H LYS 93 0.177 9.163 1.490 706 HA LYS 93 HA LYS 93 1.850 11.469 1.109 707 HB2 LYS 93 1HB LYS 93 0.584 10.939 3.171 708 HB3 LYS 93 2HB LYS 93 1.641 9.563 3.468 709 HG2 LYS 93 1HG LYS 93 2.196 11.486 4.866 710 HG3 LYS 93 2HG LYS 93 3.555 11.038 3.838 711 HD2 LYS 93 1HD LYS 93 3.156 12.936 2.369 712 HD3 LYS 93 2HD LYS 93 1.617 13.307 3.194 713 HE2 LYS 93 1HE LYS 93 2.878 13.710 5.306 714 HE3 LYS 93 2HE LYS 93 4.391 13.365 4.466 715 HZ1 LYS 93 3HZ LYS 93 3.975 15.741 4.612 716 HZ2 LYS 93 1HZ LYS 93 3.956 15.294 3.039 717 HZ3 LYS 93 2HZ LYS 93 2.552 15.606 3.823 718 H ILE 94 H ILE 94 2.618 8.038 0.974 719 HA ILE 94 HA ILE 94 5.522 8.509 0.770 720 HB ILE 94 HB ILE 94 3.821 6.100 0.009 721 HG12 ILE 94 1HG1 ILE 94 5.772 6.413 2.309 722 HG13 ILE 94 2HG1 ILE 94 4.074 6.766 2.517 723 HG21 ILE 94 1HG2 ILE 94 5.833 6.141 -1.365 724 HG22 ILE 94 2HG2 ILE 94 6.837 6.584 0.025 725 HG23 ILE 94 3HG2 ILE 94 6.106 4.960 -0.087 726 HD11 ILE 94 3HD1 ILE 94 4.497 4.536 3.316 727 HD12 ILE 94 1HD1 ILE 94 3.497 4.431 1.857 728 HD13 ILE 94 2HD1 ILE 94 5.236 4.052 1.782 729 H TYR 95 H TYR 95 2.879 7.956 -1.619 730 HA TYR 95 HA TYR 95 4.422 8.166 -3.943 731 HB2 TYR 95 1HB TYR 95 2.385 7.350 -4.342 732 HB3 TYR 95 2HB TYR 95 1.563 8.407 -3.211 733 HD1 TYR 95 2HD TYR 95 1.184 10.878 -3.870 734 HD2 TYR 95 1HD TYR 95 2.094 7.718 -6.658 735 HE1 TYR 95 2HE TYR 95 0.242 12.243 -5.723 736 HE2 TYR 95 1HE TYR 95 1.171 9.084 -8.515 737 HH TYR 95 HH TYR 95 0.183 11.077 -9.118 738 H LYS 96 H LYS 96 3.229 10.781 -1.936 739 HA LYS 96 HA LYS 96 3.928 13.053 -3.502 740 HB2 LYS 96 1HB LYS 96 3.865 12.369 -0.547 741 HB3 LYS 96 2HB LYS 96 4.339 13.982 -1.057 742 HG2 LYS 96 1HG LYS 96 1.670 12.727 -1.835 743 HG3 LYS 96 2HG LYS 96 1.913 13.725 -0.397 744 HD2 LYS 96 1HD LYS 96 2.653 15.616 -1.836 745 HD3 LYS 96 2HD LYS 96 2.353 14.626 -3.282 746 HE2 LYS 96 1HE LYS 96 -0.029 14.382 -2.627 747 HE3 LYS 96 2HE LYS 96 0.262 15.360 -1.183 748 HZ1 LYS 96 3HZ LYS 96 -0.664 16.694 -2.979 749 HZ2 LYS 96 1HZ LYS 96 0.841 17.223 -2.640 750 HZ3 LYS 96 2HZ LYS 96 0.572 16.319 -3.977 751 H ARG 97 H ARG 97 6.039 10.825 -1.783 752 HA ARG 97 HA ARG 97 8.447 12.530 -2.232 753 HB2 ARG 97 1HB ARG 97 8.302 9.862 -0.787 754 HB3 ARG 97 2HB ARG 97 9.591 11.054 -0.739 755 HG2 ARG 97 1HG ARG 97 6.825 11.281 0.518 756 HG3 ARG 97 2HG ARG 97 8.360 11.032 1.341 757 HD2 ARG 97 1HD ARG 97 9.125 13.275 0.549 758 HD3 ARG 97 2HD ARG 97 7.501 13.549 -0.123 759 HE ARG 97 HE ARG 97 7.228 12.738 2.591 760 HH11 ARG 97 1HH1 ARG 97 8.419 15.583 0.849 761 HH12 ARG 97 2HH1 ARG 97 8.141 16.629 2.208 762 HH21 ARG 97 1HH2 ARG 97 6.947 14.091 4.290 763 HH22 ARG 97 2HH2 ARG 97 7.323 15.792 4.150 764 H HIS 98 H HIS 98 7.119 9.303 -2.891 765 HA HIS 98 HA HIS 98 8.736 8.923 -5.358 766 HB2 HIS 98 1HB HIS 98 8.707 7.045 -2.956 767 HB3 HIS 98 2HB HIS 98 9.428 6.680 -4.517 768 HD2 HIS 98 2HD HIS 98 10.217 8.123 -1.186 769 HE1 HIS 98 1HE HIS 98 13.498 9.260 -3.652 770 HE2 HIS 98 2HE HIS 98 12.655 9.121 -1.251 771 H ARG 99 H ARG 99 6.864 8.888 -6.640 772 HA ARG 99 HA ARG 99 4.366 8.097 -6.074 773 HB2 ARG 99 1HB ARG 99 3.844 7.967 -8.340 774 HB3 ARG 99 2HB ARG 99 4.832 9.359 -7.902 775 HG2 ARG 99 1HG ARG 99 6.840 8.236 -8.902 776 HG3 ARG 99 2HG ARG 99 5.802 6.855 -9.371 777 HD2 ARG 99 1HD ARG 99 4.291 8.415 -10.523 778 HD3 ARG 99 2HD ARG 99 5.359 9.762 -10.101 779 HE ARG 99 HE ARG 99 6.958 7.858 -11.440 780 HH11 ARG 99 1HH1 ARG 99 4.230 9.931 -12.331 781 HH12 ARG 99 2HH1 ARG 99 4.702 9.985 -14.003 782 HH21 ARG 99 1HH2 ARG 99 7.509 7.972 -13.611 783 HH22 ARG 99 2HH2 ARG 99 6.534 8.895 -14.713 784 H PHE 100 H PHE 100 6.762 5.842 -7.419 785 HA PHE 100 HA PHE 100 5.249 3.548 -6.273 786 HB2 PHE 100 1HB PHE 100 6.342 3.591 -9.099 787 HB3 PHE 100 2HB PHE 100 5.540 2.255 -8.275 788 HD1 PHE 100 1HD PHE 100 3.111 2.830 -7.307 789 HD2 PHE 100 2HD PHE 100 5.019 4.777 -10.646 790 HE1 PHE 100 1HE PHE 100 0.903 3.449 -8.204 791 HE2 PHE 100 2HE PHE 100 2.793 5.417 -11.538 792 HZ PHE 100 HZ PHE 100 0.727 4.745 -10.320 793 H ASP 101 H ASP 101 8.298 5.077 -6.902 794 HA ASP 101 HA ASP 101 9.993 2.816 -7.097 795 HB2 ASP 101 1HB ASP 101 10.457 5.114 -7.910 796 HB3 ASP 101 2HB ASP 101 10.605 5.673 -6.247 797 H ALA 102 H ALA 102 8.462 4.072 -4.298 798 HA ALA 102 HA ALA 102 10.396 3.228 -2.305 799 HB1 ALA 102 1HB ALA 102 8.746 4.994 -1.866 800 HB2 ALA 102 2HB ALA 102 7.413 3.842 -2.118 801 HB3 ALA 102 3HB ALA 102 8.517 3.646 -0.743 802 H TRP 103 H TRP 103 8.445 1.379 -4.366 803 HA TRP 103 HA TRP 103 8.545 -0.992 -2.537 804 HB2 TRP 103 1HB TRP 103 6.420 -0.228 -4.568 805 HB3 TRP 103 2HB TRP 103 6.468 -1.730 -3.660 806 HD1 TRP 103 HD TRP 103 5.952 -1.615 -1.037 807 HE1 TRP 103 1HE TRP 103 4.446 -0.076 0.319 808 HE3 TRP 103 3HE TRP 103 5.804 2.349 -4.260 809 HZ2 TRP 103 2HZ TRP 103 3.260 2.571 0.012 810 HZ3 TRP 103 3HZ TRP 103 4.481 4.368 -3.711 811 HH2 TRP 103 HH TRP 103 3.178 4.480 -1.599 812 H TYR 104 H TYR 104 9.695 -2.609 -3.192 813 HA TYR 104 HA TYR 104 11.350 -2.309 -5.469 814 HB2 TYR 104 1HB TYR 104 11.853 -3.302 -3.191 815 HB3 TYR 104 2HB TYR 104 11.035 -4.768 -3.712 816 HD1 TYR 104 2HD TYR 104 13.715 -2.363 -4.767 817 HD2 TYR 104 1HD TYR 104 12.377 -6.458 -4.705 818 HE1 TYR 104 2HE TYR 104 15.903 -3.090 -5.735 819 HE2 TYR 104 1HE TYR 104 14.555 -7.194 -5.660 820 HH TYR 104 HH TYR 104 16.630 -6.540 -6.418 821 H GLY 105 H GLY 105 8.642 -4.595 -4.985 822 HA2 GLY 105 1HA GLY 105 9.066 -6.148 -7.378 823 HA3 GLY 105 2HA GLY 105 7.573 -6.046 -6.460 824 H TRP 106 H TRP 106 7.588 -2.969 -6.940 825 HA TRP 106 HA TRP 106 6.036 -3.019 -9.347 826 HB2 TRP 106 1HB TRP 106 5.489 -1.411 -7.714 827 HB3 TRP 106 2HB TRP 106 7.115 -0.721 -7.730 828 HD1 TRP 106 HD TRP 106 3.931 -0.894 -9.881 829 HE1 TRP 106 1HE TRP 106 4.042 0.877 -11.740 830 HE3 TRP 106 3HE TRP 106 8.659 0.836 -9.031 831 HZ2 TRP 106 2HZ TRP 106 5.963 2.818 -12.723 832 HZ3 TRP 106 3HZ TRP 106 9.646 2.580 -10.469 833 HH2 TRP 106 HH TRP 106 8.307 3.595 -12.320 834 H LYS 107 H LYS 107 9.358 -1.954 -8.622 835 HA LYS 107 HA LYS 107 9.921 -1.307 -11.433 836 HB2 LYS 107 1HB LYS 107 12.127 -0.596 -10.561 837 HB3 LYS 107 2HB LYS 107 10.746 0.238 -9.870 838 HG2 LYS 107 1HG LYS 107 10.888 -1.219 -7.843 839 HG3 LYS 107 2HG LYS 107 12.362 -1.952 -8.505 840 HD2 LYS 107 1HD LYS 107 11.917 0.974 -7.782 841 HD3 LYS 107 2HD LYS 107 12.812 -0.203 -6.816 842 HE2 LYS 107 1HE LYS 107 14.491 -0.451 -8.621 843 HE3 LYS 107 2HE LYS 107 13.582 0.683 -9.633 844 HZ1 LYS 107 3HZ LYS 107 15.367 1.833 -8.513 845 HZ2 LYS 107 1HZ LYS 107 13.931 2.385 -7.940 846 HZ3 LYS 107 2HZ LYS 107 14.838 1.362 -7.037 847 H ASN 108 H ASN 108 10.279 -4.156 -9.515 848 HA ASN 108 HA ASN 108 12.272 -5.299 -11.417 849 HB2 ASN 108 1HB ASN 108 11.213 -6.183 -8.722 850 HB3 ASN 108 2HB ASN 108 12.089 -7.279 -9.786 851 HD21 ASN 108 2HD2 ASN 108 12.403 -4.289 -7.889 852 HD22 ASN 108 1HD2 ASN 108 14.162 -4.302 -7.891 853 H HIS 109 H HIS 109 8.822 -5.710 -10.591 854 HA HIS 109 HA HIS 109 8.642 -7.883 -12.661 855 HB2 HIS 109 1HB HIS 109 7.027 -7.599 -10.106 856 HB3 HIS 109 2HB HIS 109 6.986 -8.933 -11.255 857 HD2 HIS 109 2HD HIS 109 8.291 -8.263 -7.984 858 HE1 HIS 109 1HE HIS 109 11.266 -10.823 -9.627 859 HE2 HIS 109 2HE HIS 109 10.373 -9.790 -7.475 860 H CYS 110 H CYS 110 6.741 -5.201 -11.161 861 HA CYS 110 HA CYS 110 4.545 -5.509 -13.001 862 HB2 CYS 110 1HB CYS 110 5.230 -3.043 -11.385 863 HB3 CYS 110 2HB CYS 110 3.671 -3.487 -12.047 864 H GLN 111 H GLN 111 7.603 -4.204 -13.660 865 HA GLN 111 HA GLN 111 6.821 -2.282 -15.715 866 HB2 GLN 111 1HB GLN 111 9.442 -3.808 -15.375 867 HB3 GLN 111 2HB GLN 111 9.181 -2.386 -16.382 868 HG2 GLN 111 1HG GLN 111 9.108 -2.501 -13.347 869 HG3 GLN 111 2HG GLN 111 10.355 -1.775 -14.342 870 HE21 GLN 111 2HE2 GLN 111 7.592 -1.047 -12.527 871 HE22 GLN 111 1HE2 GLN 111 7.305 0.543 -13.221 872 H GLY 112 H GLY 112 7.078 -5.798 -15.644 873 HA2 GLY 112 1HA GLY 112 7.526 -6.116 -18.508 874 HA3 GLY 112 2HA GLY 112 7.141 -7.388 -17.324 875 H SER 113 H SER 113 4.685 -6.160 -16.409 876 HA SER 113 HA SER 113 2.778 -5.641 -18.488 877 HB2 SER 113 1HB SER 113 3.056 -8.486 -17.467 878 HB3 SER 113 2HB SER 113 1.469 -7.833 -17.871 879 HG SER 113 HG SER 113 3.680 -7.812 -19.668 880 H LEU 114 H LEU 114 0.874 -4.873 -17.598 881 HA LEU 114 HA LEU 114 0.473 -5.103 -14.650 882 HB2 LEU 114 1HB LEU 114 -0.427 -2.984 -16.649 883 HB3 LEU 114 2HB LEU 114 -0.910 -3.034 -14.960 884 HG LEU 114 HG LEU 114 1.973 -2.709 -15.901 885 HD11 LEU 114 1HD1 LEU 114 0.523 -0.810 -16.530 886 HD12 LEU 114 2HD1 LEU 114 0.011 -0.638 -14.835 887 HD13 LEU 114 3HD1 LEU 114 1.707 -0.360 -15.296 888 HD21 LEU 114 3HD2 LEU 114 2.344 -1.984 -13.526 889 HD22 LEU 114 1HD2 LEU 114 0.686 -2.489 -13.140 890 HD23 LEU 114 2HD2 LEU 114 1.889 -3.687 -13.658 891 HA PRO 115 HA PRO 115 -3.266 -7.351 -15.619 892 HB2 PRO 115 1HB PRO 115 -4.806 -6.889 -13.430 893 HB3 PRO 115 2HB PRO 115 -3.316 -7.885 -13.356 894 HG2 PRO 115 1HG PRO 115 -3.637 -4.951 -12.632 895 HG3 PRO 115 2HG PRO 115 -2.847 -6.249 -11.675 896 HD2 PRO 115 1HD PRO 115 -1.431 -4.556 -13.282 897 HD3 PRO 115 2HD PRO 115 -0.967 -6.278 -13.098 898 H ASP 116 H ASP 116 -5.324 -6.982 -16.487 899 HA ASP 116 HA ASP 116 -6.071 -4.214 -17.114 900 HB2 ASP 116 1HB ASP 116 -6.272 -5.955 -18.818 901 HB3 ASP 116 2HB ASP 116 -7.383 -6.865 -17.787 902 H ILE 117 H ILE 117 -7.895 -3.226 -16.539 903 HA ILE 117 HA ILE 117 -9.487 -4.160 -14.175 904 HB ILE 117 HB ILE 117 -9.351 -1.903 -13.231 905 HG12 ILE 117 1HG1 ILE 117 -7.287 -1.281 -15.400 906 HG13 ILE 117 2HG1 ILE 117 -8.958 -0.723 -15.437 907 HG21 ILE 117 1HG2 ILE 117 -7.741 -3.676 -12.521 908 HG22 ILE 117 2HG2 ILE 117 -6.551 -3.032 -13.671 909 HG23 ILE 117 3HG2 ILE 117 -7.108 -2.041 -12.310 910 HD11 ILE 117 3HD1 ILE 117 -7.574 1.032 -14.623 911 HD12 ILE 117 1HD1 ILE 117 -8.621 0.463 -13.302 912 HD13 ILE 117 2HD1 ILE 117 -6.899 -0.014 -13.354 913 H SER 118 H SER 118 -9.645 -3.221 -17.338 914 HA SER 118 HA SER 118 -11.644 -1.255 -17.458 915 HB2 SER 118 1HB SER 118 -11.222 -3.513 -19.449 916 HB3 SER 118 2HB SER 118 -11.992 -1.951 -19.756 917 HG SER 118 HG SER 118 -9.259 -2.548 -19.263 918 H SER 119 H SER 119 -12.145 -4.601 -16.603 919 HA SER 119 HA SER 119 -15.051 -4.558 -17.056 920 HB2 SER 119 1HB SER 119 -13.263 -6.543 -15.603 921 HB3 SER 119 2HB SER 119 -14.960 -6.781 -16.037 922 HG SER 119 HG SER 119 -13.538 -7.759 -17.566 923 H CYS 120 H CYS 120 -13.079 -3.191 -14.643 924 HA CYS 120 HA CYS 120 -14.888 -3.752 -12.375 925 HB2 CYS 120 1HB CYS 120 -12.280 -2.219 -12.493 926 HB3 CYS 120 2HB CYS 120 -13.115 -2.771 -11.045 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -9.263 -7.355 10.256 2 H2 GLY 1 2H GLY 1 -8.012 -8.407 10.458 3 H3 GLY 1 3H GLY 1 -7.773 -6.794 10.695 4 HA2 GLY 1 1HA GLY 1 -8.237 -6.330 8.394 5 HA3 GLY 1 2HA GLY 1 -6.837 -7.393 8.595 6 H LYS 2 H LYS 2 -7.978 -7.359 6.206 7 HA LYS 2 HA LYS 2 -9.211 -9.987 5.809 8 HB2 LYS 2 1HB LYS 2 -11.223 -9.164 4.763 9 HB3 LYS 2 2HB LYS 2 -11.130 -8.507 6.396 10 HG2 LYS 2 1HG LYS 2 -10.304 -6.343 5.499 11 HG3 LYS 2 2HG LYS 2 -10.373 -6.985 3.855 12 HD2 LYS 2 1HD LYS 2 -12.782 -6.694 5.690 13 HD3 LYS 2 2HD LYS 2 -12.289 -5.524 4.455 14 HE2 LYS 2 1HE LYS 2 -12.509 -7.269 2.696 15 HE3 LYS 2 2HE LYS 2 -13.067 -8.423 3.916 16 HZ1 LYS 2 3HZ LYS 2 -14.928 -7.387 2.768 17 HZ2 LYS 2 1HZ LYS 2 -14.961 -6.958 4.343 18 HZ3 LYS 2 2HZ LYS 2 -14.447 -5.891 3.214 19 H THR 3 H THR 3 -9.593 -10.452 3.493 20 HA THR 3 HA THR 3 -7.495 -9.218 1.779 21 HB THR 3 HB THR 3 -8.715 -11.954 1.369 22 HG1 THR 3 1HG THR 3 -6.927 -12.725 2.496 23 HG21 THR 3 3HG2 THR 3 -6.532 -12.297 0.173 24 HG22 THR 3 1HG2 THR 3 -7.487 -10.998 -0.558 25 HG23 THR 3 2HG2 THR 3 -6.115 -10.598 0.497 26 H PHE 4 H PHE 4 -7.951 -8.353 -0.087 27 HA PHE 4 HA PHE 4 -10.777 -8.113 -0.998 28 HB2 PHE 4 1HB PHE 4 -8.283 -6.437 -1.477 29 HB3 PHE 4 2HB PHE 4 -9.790 -6.139 -2.294 30 HD1 PHE 4 1HD PHE 4 -8.266 -6.312 1.151 31 HD2 PHE 4 2HD PHE 4 -11.443 -4.725 -1.308 32 HE1 PHE 4 1HE PHE 4 -9.093 -4.982 3.065 33 HE2 PHE 4 2HE PHE 4 -12.264 -3.410 0.615 34 HZ PHE 4 HZ PHE 4 -11.109 -3.548 2.815 35 H THR 5 H THR 5 -11.195 -8.166 -3.246 36 HA THR 5 HA THR 5 -9.404 -9.886 -4.925 37 HB THR 5 HB THR 5 -11.708 -10.720 -4.643 38 HG1 THR 5 1HG THR 5 -11.877 -11.108 -6.849 39 HG21 THR 5 3HG2 THR 5 -13.574 -9.664 -5.768 40 HG22 THR 5 1HG2 THR 5 -12.929 -8.501 -4.603 41 HG23 THR 5 2HG2 THR 5 -12.561 -8.328 -6.338 42 H ARG 6 H ARG 6 -9.182 -9.116 -7.250 43 HA ARG 6 HA ARG 6 -8.058 -6.519 -7.212 44 HB2 ARG 6 1HB ARG 6 -7.471 -8.344 -8.803 45 HB3 ARG 6 2HB ARG 6 -8.959 -8.019 -9.701 46 HG2 ARG 6 1HG ARG 6 -8.203 -5.694 -10.132 47 HG3 ARG 6 2HG ARG 6 -6.744 -5.967 -9.168 48 HD2 ARG 6 1HD ARG 6 -7.486 -7.451 -11.721 49 HD3 ARG 6 2HD ARG 6 -6.361 -6.090 -11.621 50 HE ARG 6 HE ARG 6 -5.168 -7.685 -9.856 51 HH11 ARG 6 1HH1 ARG 6 -6.584 -8.790 -12.921 52 HH12 ARG 6 2HH1 ARG 6 -5.450 -10.102 -13.052 53 HH21 ARG 6 1HH2 ARG 6 -3.651 -9.199 -10.199 54 HH22 ARG 6 2HH2 ARG 6 -3.813 -10.360 -11.501 55 H CYS 7 H CYS 7 -11.245 -7.512 -8.561 56 HA CYS 7 HA CYS 7 -12.087 -4.927 -9.418 57 HB2 CYS 7 1HB CYS 7 -13.803 -7.207 -8.360 58 HB3 CYS 7 2HB CYS 7 -14.350 -5.858 -9.353 59 H GLY 8 H GLY 8 -12.315 -6.414 -6.194 60 HA2 GLY 8 1HA GLY 8 -13.877 -4.288 -4.977 61 HA3 GLY 8 2HA GLY 8 -12.938 -5.548 -4.134 62 H LEU 9 H LEU 9 -10.358 -5.061 -5.044 63 HA LEU 9 HA LEU 9 -9.471 -2.807 -3.557 64 HB2 LEU 9 1HB LEU 9 -8.184 -4.896 -4.006 65 HB3 LEU 9 2HB LEU 9 -8.090 -4.475 -5.718 66 HG LEU 9 HG LEU 9 -6.822 -2.428 -5.148 67 HD11 LEU 9 1HD1 LEU 9 -7.619 -1.915 -2.921 68 HD12 LEU 9 2HD1 LEU 9 -7.056 -3.480 -2.306 69 HD13 LEU 9 3HD1 LEU 9 -5.884 -2.227 -2.809 70 HD21 LEU 9 3HD2 LEU 9 -4.734 -3.519 -4.633 71 HD22 LEU 9 1HD2 LEU 9 -5.580 -4.903 -3.900 72 HD23 LEU 9 2HD2 LEU 9 -5.685 -4.608 -5.652 73 H VAL 10 H VAL 10 -9.697 -3.202 -7.143 74 HA VAL 10 HA VAL 10 -8.859 -0.626 -7.910 75 HB VAL 10 HB VAL 10 -10.977 -2.457 -9.096 76 HG11 VAL 10 1HG1 VAL 10 -11.679 -0.320 -9.911 77 HG12 VAL 10 2HG1 VAL 10 -10.016 0.212 -10.182 78 HG13 VAL 10 3HG1 VAL 10 -10.729 -1.041 -11.209 79 HG21 VAL 10 3HG2 VAL 10 -9.292 -2.888 -10.810 80 HG22 VAL 10 1HG2 VAL 10 -8.194 -1.699 -10.083 81 HG23 VAL 10 2HG2 VAL 10 -8.587 -3.195 -9.224 82 H HIS 11 H HIS 11 -12.116 -1.642 -6.873 83 HA HIS 11 HA HIS 11 -13.349 0.965 -7.050 84 HB2 HIS 11 1HB HIS 11 -14.095 -1.568 -5.550 85 HB3 HIS 11 2HB HIS 11 -15.087 -0.125 -5.573 86 HD2 HIS 11 2HD HIS 11 -13.657 -0.507 -9.010 87 HE1 HIS 11 1HE HIS 11 -17.424 -2.486 -9.137 88 HE2 HIS 11 2HE HIS 11 -15.534 -1.555 -10.549 89 H GLU 12 H GLU 12 -11.941 -0.783 -4.254 90 HA GLU 12 HA GLU 12 -12.597 1.130 -2.248 91 HB2 GLU 12 1HB GLU 12 -11.603 -1.360 -2.212 92 HB3 GLU 12 2HB GLU 12 -10.075 -0.521 -2.112 93 HG2 GLU 12 1HG GLU 12 -10.895 -1.135 0.083 94 HG3 GLU 12 2HG GLU 12 -10.862 0.633 -0.075 95 H LEU 13 H LEU 13 -9.734 0.871 -4.362 96 HA LEU 13 HA LEU 13 -8.407 3.216 -3.271 97 HB2 LEU 13 1HB LEU 13 -8.115 1.727 -5.895 98 HB3 LEU 13 2HB LEU 13 -6.964 2.916 -5.291 99 HG LEU 13 HG LEU 13 -7.628 0.300 -3.929 100 HD11 LEU 13 1HD1 LEU 13 -6.459 -0.021 -6.050 101 HD12 LEU 13 2HD1 LEU 13 -5.222 1.169 -5.567 102 HD13 LEU 13 3HD1 LEU 13 -5.365 -0.377 -4.695 103 HD21 LEU 13 3HD2 LEU 13 -5.680 0.715 -2.528 104 HD22 LEU 13 1HD2 LEU 13 -5.457 2.318 -3.286 105 HD23 LEU 13 2HD2 LEU 13 -6.893 1.976 -2.294 106 H ARG 14 H ARG 14 -10.464 2.706 -6.161 107 HA ARG 14 HA ARG 14 -10.450 5.394 -7.129 108 HB2 ARG 14 1HB ARG 14 -12.555 3.217 -7.208 109 HB3 ARG 14 2HB ARG 14 -12.873 4.814 -7.881 110 HG2 ARG 14 1HG ARG 14 -11.142 4.632 -9.510 111 HG3 ARG 14 2HG ARG 14 -10.481 3.170 -8.755 112 HD2 ARG 14 1HD ARG 14 -12.483 1.909 -9.257 113 HD3 ARG 14 2HD ARG 14 -13.282 3.355 -9.923 114 HE ARG 14 HE ARG 14 -10.882 2.950 -11.350 115 HH11 ARG 14 1HH1 ARG 14 -14.035 1.359 -10.993 116 HH12 ARG 14 2HH1 ARG 14 -13.848 0.469 -12.491 117 HH21 ARG 14 1HH2 ARG 14 -10.796 1.792 -13.344 118 HH22 ARG 14 2HH2 ARG 14 -12.121 0.736 -13.759 119 H LYS 15 H LYS 15 -12.537 3.935 -4.593 120 HA LYS 15 HA LYS 15 -14.000 6.263 -3.823 121 HB2 LYS 15 1HB LYS 15 -14.729 4.017 -3.357 122 HB3 LYS 15 2HB LYS 15 -13.195 3.608 -2.601 123 HG2 LYS 15 1HG LYS 15 -13.712 5.200 -0.751 124 HG3 LYS 15 2HG LYS 15 -15.334 5.415 -1.450 125 HD2 LYS 15 1HD LYS 15 -15.810 3.028 -1.155 126 HD3 LYS 15 2HD LYS 15 -14.115 2.710 -0.740 127 HE2 LYS 15 1HE LYS 15 -14.400 4.234 1.264 128 HE3 LYS 15 2HE LYS 15 -16.139 4.238 0.941 129 HZ1 LYS 15 3HZ LYS 15 -15.400 2.494 2.548 130 HZ2 LYS 15 1HZ LYS 15 -16.150 1.845 1.243 131 HZ3 LYS 15 2HZ LYS 15 -14.520 1.774 1.360 132 H HIS 16 H HIS 16 -10.881 4.917 -2.657 133 HA HIS 16 HA HIS 16 -10.492 7.062 -0.731 134 HB2 HIS 16 1HB HIS 16 -8.743 4.728 -1.604 135 HB3 HIS 16 2HB HIS 16 -8.351 5.848 -0.300 136 HD2 HIS 16 2HD HIS 16 -8.422 3.149 0.806 137 HE1 HIS 16 1HE HIS 16 -12.491 3.538 1.879 138 HE2 HIS 16 2HE HIS 16 -10.399 2.225 2.301 139 H GLY 17 H GLY 17 -10.296 7.423 -3.924 140 HA2 GLY 17 1HA GLY 17 -9.678 9.411 -4.958 141 HA3 GLY 17 2HA GLY 17 -8.611 9.810 -3.593 142 H PHE 18 H PHE 18 -8.291 6.727 -5.305 143 HA PHE 18 HA PHE 18 -5.616 7.503 -6.308 144 HB2 PHE 18 1HB PHE 18 -7.132 4.903 -6.193 145 HB3 PHE 18 2HB PHE 18 -5.585 5.075 -6.991 146 HD1 PHE 18 2HD PHE 18 -7.083 5.908 -3.583 147 HD2 PHE 18 1HD PHE 18 -3.740 4.356 -5.805 148 HE1 PHE 18 2HE PHE 18 -5.867 5.568 -1.496 149 HE2 PHE 18 1HE PHE 18 -2.533 3.930 -3.682 150 HZ PHE 18 HZ PHE 18 -3.587 4.526 -1.517 151 H GLU 19 H GLU 19 -5.101 7.693 -8.473 152 HA GLU 19 HA GLU 19 -7.248 8.458 -10.259 153 HB2 GLU 19 1HB GLU 19 -4.259 8.161 -10.707 154 HB3 GLU 19 2HB GLU 19 -5.378 8.865 -11.867 155 HG2 GLU 19 1HG GLU 19 -4.792 9.968 -9.089 156 HG3 GLU 19 2HG GLU 19 -4.109 10.554 -10.600 157 H GLU 20 H GLU 20 -8.148 7.390 -11.956 158 HA GLU 20 HA GLU 20 -7.973 4.597 -12.183 159 HB2 GLU 20 1HB GLU 20 -9.385 4.790 -14.127 160 HB3 GLU 20 2HB GLU 20 -9.921 5.884 -12.854 161 HG2 GLU 20 1HG GLU 20 -8.809 7.788 -14.056 162 HG3 GLU 20 2HG GLU 20 -8.340 6.675 -15.345 163 H ASN 21 H ASN 21 -5.994 7.011 -13.854 164 HA ASN 21 HA ASN 21 -4.915 5.082 -15.755 165 HB2 ASN 21 1HB ASN 21 -3.651 6.812 -16.634 166 HB3 ASN 21 2HB ASN 21 -5.153 7.584 -16.152 167 HD21 ASN 21 2HD2 ASN 21 -5.054 9.204 -14.440 168 HD22 ASN 21 1HD2 ASN 21 -3.513 9.755 -13.821 169 H LEU 22 H LEU 22 -4.195 5.880 -12.459 170 HA LEU 22 HA LEU 22 -1.511 4.567 -12.550 171 HB2 LEU 22 1HB LEU 22 -2.958 5.983 -10.279 172 HB3 LEU 22 2HB LEU 22 -1.306 5.376 -10.249 173 HG LEU 22 HG LEU 22 -2.355 7.685 -11.921 174 HD11 LEU 22 1HD1 LEU 22 -2.082 8.159 -9.507 175 HD12 LEU 22 2HD1 LEU 22 -0.401 7.593 -9.584 176 HD13 LEU 22 3HD1 LEU 22 -0.897 9.047 -10.478 177 HD21 LEU 22 3HD2 LEU 22 -0.023 8.094 -12.592 178 HD22 LEU 22 1HD2 LEU 22 0.490 6.596 -11.784 179 HD23 LEU 22 2HD2 LEU 22 -0.588 6.538 -13.198 180 H MET 23 H MET 23 -4.805 3.945 -11.678 181 HA MET 23 HA MET 23 -4.782 2.168 -9.653 182 HB2 MET 23 1HB MET 23 -6.679 3.088 -11.116 183 HB3 MET 23 2HB MET 23 -6.428 1.727 -12.168 184 HG2 MET 23 1HG MET 23 -8.289 1.325 -10.572 185 HG3 MET 23 2HG MET 23 -6.990 0.175 -10.288 186 HE1 MET 23 3HE MET 23 -8.149 3.818 -7.754 187 HE2 MET 23 1HE MET 23 -6.826 4.059 -8.922 188 HE3 MET 23 2HE MET 23 -8.433 3.563 -9.480 189 H ARG 24 H ARG 24 -4.108 1.121 -13.045 190 HA ARG 24 HA ARG 24 -3.668 -1.608 -12.556 191 HB2 ARG 24 1HB ARG 24 -2.256 0.192 -14.576 192 HB3 ARG 24 2HB ARG 24 -2.293 -1.578 -14.600 193 HG2 ARG 24 1HG ARG 24 -4.795 -1.484 -14.754 194 HG3 ARG 24 2HG ARG 24 -4.684 0.281 -14.885 195 HD2 ARG 24 1HD ARG 24 -4.915 -0.528 -17.097 196 HD3 ARG 24 2HD ARG 24 -3.219 -0.037 -16.922 197 HE ARG 24 HE ARG 24 -3.581 -2.828 -16.273 198 HH11 ARG 24 1HH1 ARG 24 -3.479 -0.747 -19.135 199 HH12 ARG 24 2HH1 ARG 24 -2.982 -2.050 -20.172 200 HH21 ARG 24 1HH2 ARG 24 -2.877 -4.444 -17.652 201 HH22 ARG 24 2HH2 ARG 24 -2.660 -4.114 -19.343 202 H ASN 25 H ASN 25 -1.239 1.048 -12.308 203 HA ASN 25 HA ASN 25 0.964 -0.684 -11.528 204 HB2 ASN 25 1HB ASN 25 0.479 2.311 -11.281 205 HB3 ASN 25 2HB ASN 25 1.888 1.525 -10.583 206 HD21 ASN 25 2HD2 ASN 25 0.488 2.669 -13.585 207 HD22 ASN 25 1HD2 ASN 25 1.869 2.226 -14.567 208 H TRP 26 H TRP 26 -1.441 1.264 -9.675 209 HA TRP 26 HA TRP 26 -0.371 0.670 -7.111 210 HB2 TRP 26 1HB TRP 26 -3.077 1.603 -8.100 211 HB3 TRP 26 2HB TRP 26 -2.798 1.255 -6.404 212 HD1 TRP 26 HD TRP 26 -2.708 4.086 -8.641 213 HE1 TRP 26 1HE TRP 26 -1.522 6.078 -7.551 214 HE3 TRP 26 3HE TRP 26 -0.235 1.605 -4.912 215 HZ2 TRP 26 2HZ TRP 26 0.079 6.570 -5.179 216 HZ3 TRP 26 3HZ TRP 26 1.098 2.847 -3.245 217 HH2 TRP 26 HH TRP 26 1.251 5.334 -3.354 218 H VAL 27 H VAL 27 -3.123 -0.997 -8.801 219 HA VAL 27 HA VAL 27 -3.416 -2.864 -6.635 220 HB VAL 27 HB VAL 27 -4.805 -4.244 -7.949 221 HG11 VAL 27 1HG1 VAL 27 -5.648 -2.042 -7.133 222 HG12 VAL 27 2HG1 VAL 27 -5.388 -1.378 -8.756 223 HG13 VAL 27 3HG1 VAL 27 -6.530 -2.709 -8.513 224 HG21 VAL 27 3HG2 VAL 27 -5.254 -3.856 -10.363 225 HG22 VAL 27 1HG2 VAL 27 -3.869 -2.744 -10.419 226 HG23 VAL 27 2HG2 VAL 27 -3.626 -4.464 -10.039 227 H CYS 28 H CYS 28 -1.329 -2.982 -9.525 228 HA CYS 28 HA CYS 28 -0.479 -5.708 -9.109 229 HB2 CYS 28 1HB CYS 28 -0.418 -4.328 -11.194 230 HB3 CYS 28 2HB CYS 28 0.970 -3.462 -10.555 231 H LEU 29 H LEU 29 0.971 -2.571 -8.159 232 HA LEU 29 HA LEU 29 3.188 -3.459 -6.647 233 HB2 LEU 29 1HB LEU 29 2.706 -1.171 -7.317 234 HB3 LEU 29 2HB LEU 29 1.273 -1.096 -6.326 235 HG LEU 29 HG LEU 29 4.063 -1.405 -5.154 236 HD11 LEU 29 1HD1 LEU 29 3.874 0.660 -6.521 237 HD12 LEU 29 2HD1 LEU 29 2.385 1.101 -5.657 238 HD13 LEU 29 3HD1 LEU 29 3.937 1.048 -4.805 239 HD21 LEU 29 3HD2 LEU 29 2.923 -0.336 -3.142 240 HD22 LEU 29 1HD2 LEU 29 1.370 -0.604 -3.946 241 HD23 LEU 29 2HD2 LEU 29 2.399 -1.978 -3.472 242 H VAL 30 H VAL 30 -0.155 -2.815 -5.489 243 HA VAL 30 HA VAL 30 0.239 -3.783 -2.856 244 HB VAL 30 HB VAL 30 -2.218 -3.472 -4.591 245 HG11 VAL 30 1HG1 VAL 30 -2.847 -5.276 -3.092 246 HG12 VAL 30 2HG1 VAL 30 -2.165 -4.407 -1.705 247 HG13 VAL 30 3HG1 VAL 30 -3.605 -3.786 -2.551 248 HG21 VAL 30 3HG2 VAL 30 -2.669 -1.583 -3.088 249 HG22 VAL 30 1HG2 VAL 30 -1.268 -2.010 -2.081 250 HG23 VAL 30 2HG2 VAL 30 -1.029 -1.425 -3.733 251 H GLU 31 H GLU 31 -0.898 -5.608 -5.758 252 HA GLU 31 HA GLU 31 -1.325 -8.061 -4.390 253 HB2 GLU 31 1HB GLU 31 -0.748 -7.340 -7.283 254 HB3 GLU 31 2HB GLU 31 -0.881 -9.032 -6.788 255 HG2 GLU 31 1HG GLU 31 -3.110 -8.764 -6.003 256 HG3 GLU 31 2HG GLU 31 -3.059 -7.007 -6.170 257 H HIS 32 H HIS 32 1.688 -6.763 -5.810 258 HA HIS 32 HA HIS 32 3.167 -9.211 -5.146 259 HB2 HIS 32 1HB HIS 32 3.823 -6.537 -6.353 260 HB3 HIS 32 2HB HIS 32 5.095 -7.694 -5.925 261 HD2 HIS 32 2HD HIS 32 3.200 -6.754 -8.849 262 HE1 HIS 32 1HE HIS 32 3.814 -10.921 -9.448 263 HE2 HIS 32 2HE HIS 32 3.084 -8.748 -10.563 264 H GLU 33 H GLU 33 2.461 -6.251 -3.434 265 HA GLU 33 HA GLU 33 4.601 -6.702 -1.454 266 HB2 GLU 33 1HB GLU 33 2.393 -4.642 -1.694 267 HB3 GLU 33 2HB GLU 33 3.420 -4.750 -0.279 268 HG2 GLU 33 1HG GLU 33 4.443 -4.299 -3.111 269 HG3 GLU 33 2HG GLU 33 4.142 -3.035 -1.927 270 H SER 34 H SER 34 0.949 -6.593 -1.165 271 HA SER 34 HA SER 34 1.232 -8.328 1.272 272 HB2 SER 34 1HB SER 34 -0.802 -7.304 2.040 273 HB3 SER 34 2HB SER 34 0.334 -6.020 1.607 274 HG SER 34 HG SER 34 -1.008 -5.368 0.123 275 H SER 35 H SER 35 0.206 -8.529 -1.941 276 HA SER 35 HA SER 35 -1.278 -9.774 -3.119 277 HB2 SER 35 1HB SER 35 -1.431 -11.676 -0.776 278 HB3 SER 35 2HB SER 35 -1.845 -11.987 -2.465 279 HG SER 35 HG SER 35 0.448 -11.479 -2.935 280 H ARG 36 H ARG 36 -2.271 -7.573 -1.473 281 HA ARG 36 HA ARG 36 -4.208 -6.482 -1.302 282 HB2 ARG 36 1HB ARG 36 -5.816 -8.861 -2.254 283 HB3 ARG 36 2HB ARG 36 -6.217 -7.148 -2.328 284 HG2 ARG 36 1HG ARG 36 -4.274 -6.870 -3.960 285 HG3 ARG 36 2HG ARG 36 -4.154 -8.623 -4.004 286 HD2 ARG 36 1HD ARG 36 -6.697 -7.097 -4.692 287 HD3 ARG 36 2HD ARG 36 -5.514 -7.631 -5.878 288 HE ARG 36 HE ARG 36 -7.070 -9.432 -4.056 289 HH11 ARG 36 1HH1 ARG 36 -5.555 -9.037 -7.281 290 HH12 ARG 36 2HH1 ARG 36 -5.976 -10.668 -7.716 291 HH21 ARG 36 1HH2 ARG 36 -7.495 -11.487 -4.712 292 HH22 ARG 36 2HH2 ARG 36 -7.090 -12.009 -6.317 293 H ASP 37 H ASP 37 -3.127 -8.014 0.877 294 HA ASP 37 HA ASP 37 -5.566 -8.615 2.544 295 HB2 ASP 37 1HB ASP 37 -4.371 -10.669 2.041 296 HB3 ASP 37 2HB ASP 37 -2.852 -9.948 2.550 297 H THR 38 H THR 38 -5.887 -7.154 4.096 298 HA THR 38 HA THR 38 -3.837 -5.217 4.786 299 HB THR 38 HB THR 38 -5.328 -4.368 6.519 300 HG1 THR 38 1HG THR 38 -7.288 -5.208 6.824 301 HG21 THR 38 3HG2 THR 38 -7.178 -3.624 5.111 302 HG22 THR 38 1HG2 THR 38 -5.642 -3.549 4.240 303 HG23 THR 38 2HG2 THR 38 -6.795 -4.873 3.909 304 H SER 39 H SER 39 -4.671 -8.356 6.155 305 HA SER 39 HA SER 39 -3.456 -7.828 8.757 306 HB2 SER 39 1HB SER 39 -4.344 -10.393 7.389 307 HB3 SER 39 2HB SER 39 -3.776 -10.272 9.051 308 HG SER 39 HG SER 39 -6.059 -10.227 8.923 309 H LYS 40 H LYS 40 -1.989 -8.245 5.749 310 HA LYS 40 HA LYS 40 -0.053 -10.242 6.437 311 HB2 LYS 40 1HB LYS 40 -0.963 -9.455 4.109 312 HB3 LYS 40 2HB LYS 40 0.270 -8.214 4.204 313 HG2 LYS 40 1HG LYS 40 1.307 -9.954 2.983 314 HG3 LYS 40 2HG LYS 40 1.960 -10.157 4.599 315 HD2 LYS 40 1HD LYS 40 1.371 -12.354 3.891 316 HD3 LYS 40 2HD LYS 40 0.068 -11.887 4.988 317 HE2 LYS 40 1HE LYS 40 -1.005 -10.968 2.684 318 HE3 LYS 40 2HE LYS 40 0.076 -12.166 1.979 319 HZ1 LYS 40 3HZ LYS 40 -2.022 -13.190 2.401 320 HZ2 LYS 40 1HZ LYS 40 -1.025 -13.796 3.550 321 HZ3 LYS 40 2HZ LYS 40 -2.118 -12.611 3.922 322 H THR 41 H THR 41 2.063 -10.151 6.940 323 HA THR 41 HA THR 41 3.463 -7.603 7.417 324 HB THR 41 HB THR 41 4.347 -8.605 9.634 325 HG1 THR 41 1HG THR 41 3.347 -10.637 9.404 326 HG21 THR 41 3HG2 THR 41 2.561 -7.662 10.999 327 HG22 THR 41 1HG2 THR 41 3.002 -6.597 9.673 328 HG23 THR 41 2HG2 THR 41 1.499 -7.553 9.574 329 H ASN 42 H ASN 42 5.640 -7.690 7.494 330 HA ASN 42 HA ASN 42 7.065 -10.241 6.985 331 HB2 ASN 42 1HB ASN 42 6.933 -7.853 5.097 332 HB3 ASN 42 2HB ASN 42 8.296 -8.961 5.102 333 HD21 ASN 42 2HD2 ASN 42 4.993 -8.536 4.063 334 HD22 ASN 42 1HD2 ASN 42 4.878 -10.091 3.243 335 H THR 43 H THR 43 8.991 -10.295 8.013 336 HA THR 43 HA THR 43 9.852 -7.890 9.555 337 HB THR 43 HB THR 43 10.551 -10.808 10.023 338 HG1 THR 43 1HG THR 43 8.860 -10.801 11.448 339 HG21 THR 43 3HG2 THR 43 10.952 -9.978 12.359 340 HG22 THR 43 1HG2 THR 43 12.069 -9.266 11.194 341 HG23 THR 43 2HG2 THR 43 10.690 -8.313 11.791 342 H ASN 44 H ASN 44 11.948 -7.206 9.615 343 HA ASN 44 HA ASN 44 13.671 -8.016 7.312 344 HB2 ASN 44 1HB ASN 44 13.382 -5.346 8.743 345 HB3 ASN 44 2HB ASN 44 14.429 -5.664 7.364 346 HD21 ASN 44 2HD2 ASN 44 11.083 -5.272 8.398 347 HD22 ASN 44 1HD2 ASN 44 10.396 -5.171 6.759 348 H ARG 45 H ARG 45 15.976 -7.657 7.536 349 HA ARG 45 HA ARG 45 17.102 -9.090 9.698 350 HB2 ARG 45 1HB ARG 45 18.565 -7.209 7.800 351 HB3 ARG 45 2HB ARG 45 19.268 -8.546 8.705 352 HG2 ARG 45 1HG ARG 45 17.243 -8.765 6.443 353 HG3 ARG 45 2HG ARG 45 18.970 -9.111 6.350 354 HD2 ARG 45 1HD ARG 45 18.694 -10.957 7.994 355 HD3 ARG 45 2HD ARG 45 16.946 -10.639 8.043 356 HE ARG 45 HE ARG 45 17.726 -11.009 5.336 357 HH11 ARG 45 1HH1 ARG 45 17.371 -12.978 8.256 358 HH12 ARG 45 2HH1 ARG 45 17.048 -14.426 7.350 359 HH21 ARG 45 1HH2 ARG 45 17.304 -12.913 4.229 360 HH22 ARG 45 2HH2 ARG 45 17.014 -14.387 5.103 361 H ASN 46 H ASN 46 16.629 -5.640 9.388 362 HA ASN 46 HA ASN 46 18.379 -4.914 11.614 363 HB2 ASN 46 1HB ASN 46 16.222 -3.297 10.196 364 HB3 ASN 46 2HB ASN 46 17.451 -2.661 11.291 365 HD21 ASN 46 2HD2 ASN 46 19.860 -3.520 10.526 366 HD22 ASN 46 1HD2 ASN 46 20.139 -3.170 8.831 367 H GLY 47 H GLY 47 15.365 -6.432 11.669 368 HA2 GLY 47 1HA GLY 47 14.056 -6.943 13.539 369 HA3 GLY 47 2HA GLY 47 14.797 -5.607 14.455 370 H SER 48 H SER 48 13.878 -4.347 11.497 371 HA SER 48 HA SER 48 11.381 -3.151 12.495 372 HB2 SER 48 1HB SER 48 11.454 -1.983 10.291 373 HB3 SER 48 2HB SER 48 12.845 -1.682 11.339 374 HG SER 48 HG SER 48 13.512 -2.103 9.186 375 H LYS 49 H LYS 49 9.419 -3.228 11.218 376 HA LYS 49 HA LYS 49 9.039 -5.672 9.565 377 HB2 LYS 49 1HB LYS 49 8.523 -6.058 12.042 378 HB3 LYS 49 2HB LYS 49 7.162 -4.964 11.838 379 HG2 LYS 49 1HG LYS 49 6.261 -6.466 10.042 380 HG3 LYS 49 2HG LYS 49 7.595 -7.579 10.363 381 HD2 LYS 49 1HD LYS 49 5.396 -6.793 12.310 382 HD3 LYS 49 2HD LYS 49 5.542 -8.324 11.441 383 HE2 LYS 49 1HE LYS 49 7.733 -8.736 12.578 384 HE3 LYS 49 2HE LYS 49 7.483 -7.262 13.523 385 HZ1 LYS 49 3HZ LYS 49 6.760 -9.223 14.743 386 HZ2 LYS 49 1HZ LYS 49 5.467 -8.271 14.441 387 HZ3 LYS 49 2HZ LYS 49 5.704 -9.637 13.568 388 H ASP 50 H ASP 50 7.391 -5.623 8.151 389 HA ASP 50 HA ASP 50 6.325 -2.965 7.364 390 HB2 ASP 50 1HB ASP 50 6.502 -5.566 5.793 391 HB3 ASP 50 2HB ASP 50 6.057 -3.979 5.180 392 H TYR 51 H TYR 51 4.134 -2.630 7.211 393 HA TYR 51 HA TYR 51 2.244 -4.813 8.042 394 HB2 TYR 51 1HB TYR 51 2.468 -1.940 9.019 395 HB3 TYR 51 2HB TYR 51 1.189 -3.052 9.466 396 HD1 TYR 51 2HD TYR 51 4.816 -2.310 9.808 397 HD2 TYR 51 1HD TYR 51 1.481 -4.618 11.254 398 HE1 TYR 51 2HE TYR 51 6.114 -2.915 11.830 399 HE2 TYR 51 1HE TYR 51 2.764 -5.212 13.297 400 HH TYR 51 HH TYR 51 4.732 -4.931 14.466 401 H GLY 52 H GLY 52 0.080 -4.632 7.389 402 HA2 GLY 52 1HA GLY 52 -1.821 -3.745 6.386 403 HA3 GLY 52 2HA GLY 52 -0.958 -2.216 6.157 404 H LEU 53 H LEU 53 -2.513 -2.578 4.213 405 HA LEU 53 HA LEU 53 -1.903 -4.553 2.332 406 HB2 LEU 53 1HB LEU 53 -3.929 -2.695 2.669 407 HB3 LEU 53 2HB LEU 53 -3.031 -1.894 1.391 408 HG LEU 53 HG LEU 53 -3.137 -4.344 0.267 409 HD11 LEU 53 1HD1 LEU 53 -4.216 -5.350 2.220 410 HD12 LEU 53 2HD1 LEU 53 -5.599 -4.244 2.041 411 HD13 LEU 53 3HD1 LEU 53 -5.274 -5.433 0.791 412 HD21 LEU 53 3HD2 LEU 53 -5.200 -3.732 -0.851 413 HD22 LEU 53 1HD2 LEU 53 -5.492 -2.444 0.356 414 HD23 LEU 53 2HD2 LEU 53 -4.097 -2.335 -0.744 415 H PHE 54 H PHE 54 -0.298 -1.509 2.648 416 HA PHE 54 HA PHE 54 1.103 -1.885 0.042 417 HB2 PHE 54 1HB PHE 54 1.000 0.479 1.946 418 HB3 PHE 54 2HB PHE 54 1.849 0.446 0.412 419 HD1 PHE 54 2HD PHE 54 -1.533 0.346 1.959 420 HD2 PHE 54 1HD PHE 54 0.705 0.791 -1.690 421 HE1 PHE 54 2HE PHE 54 -3.591 1.067 0.804 422 HE2 PHE 54 1HE PHE 54 -1.360 1.548 -2.842 423 HZ PHE 54 HZ PHE 54 -3.508 1.685 -1.612 424 H GLN 55 H GLN 55 1.532 -3.120 3.019 425 HA GLN 55 HA GLN 55 3.213 -3.714 4.379 426 HB2 GLN 55 1HB GLN 55 4.618 -3.954 1.692 427 HB3 GLN 55 2HB GLN 55 5.291 -4.581 3.188 428 HG2 GLN 55 1HG GLN 55 2.652 -5.458 1.957 429 HG3 GLN 55 2HG GLN 55 4.182 -6.338 1.938 430 HE21 GLN 55 2HE2 GLN 55 1.333 -5.564 3.911 431 HE22 GLN 55 1HE2 GLN 55 1.853 -6.491 5.293 432 H ILE 56 H ILE 56 2.996 -1.466 5.126 433 HA ILE 56 HA ILE 56 5.138 0.433 4.462 434 HB ILE 56 HB ILE 56 2.887 0.740 6.502 435 HG12 ILE 56 1HG1 ILE 56 2.943 1.266 3.480 436 HG13 ILE 56 2HG1 ILE 56 1.838 0.167 4.330 437 HG21 ILE 56 1HG2 ILE 56 4.743 2.318 6.637 438 HG22 ILE 56 2HG2 ILE 56 4.481 2.778 4.934 439 HG23 ILE 56 3HG2 ILE 56 3.244 3.102 6.178 440 HD11 ILE 56 3HD1 ILE 56 0.538 2.026 3.744 441 HD12 ILE 56 1HD1 ILE 56 0.876 2.251 5.475 442 HD13 ILE 56 2HD1 ILE 56 1.786 3.170 4.244 443 H ASN 57 H ASN 57 6.911 0.854 5.709 444 HA ASN 57 HA ASN 57 7.447 -1.081 7.822 445 HB2 ASN 57 1HB ASN 57 8.980 -0.461 5.867 446 HB3 ASN 57 2HB ASN 57 9.321 1.026 6.758 447 HD21 ASN 57 2HD2 ASN 57 9.764 -2.461 6.669 448 HD22 ASN 57 1HD2 ASN 57 10.978 -2.518 7.955 449 H ASP 58 H ASP 58 7.768 -0.733 9.931 450 HA ASP 58 HA ASP 58 6.804 1.600 11.191 451 HB2 ASP 58 1HB ASP 58 7.156 0.576 13.203 452 HB3 ASP 58 2HB ASP 58 6.838 -0.754 12.096 453 H ARG 59 H ARG 59 9.964 1.106 9.949 454 HA ARG 59 HA ARG 59 11.268 3.051 11.731 455 HB2 ARG 59 1HB ARG 59 12.417 1.048 10.867 456 HB3 ARG 59 2HB ARG 59 12.275 1.679 9.216 457 HG2 ARG 59 1HG ARG 59 13.771 3.484 9.659 458 HG3 ARG 59 2HG ARG 59 13.642 3.269 11.409 459 HD2 ARG 59 1HD ARG 59 15.794 2.478 10.546 460 HD3 ARG 59 2HD ARG 59 14.861 1.189 11.333 461 HE ARG 59 HE ARG 59 14.299 1.084 8.560 462 HH11 ARG 59 1HH1 ARG 59 17.114 0.578 10.639 463 HH12 ARG 59 2HH1 ARG 59 17.808 -0.598 9.561 464 HH21 ARG 59 1HH2 ARG 59 15.252 -0.491 7.237 465 HH22 ARG 59 2HH2 ARG 59 16.682 -1.328 7.782 466 H TYR 60 H TYR 60 9.589 3.121 8.634 467 HA TYR 60 HA TYR 60 10.795 5.790 7.993 468 HB2 TYR 60 1HB TYR 60 9.513 3.726 6.193 469 HB3 TYR 60 2HB TYR 60 10.309 5.199 5.672 470 HD1 TYR 60 1HD TYR 60 12.832 5.108 7.390 471 HD2 TYR 60 2HD TYR 60 10.768 2.044 5.157 472 HE1 TYR 60 1HE TYR 60 14.953 3.850 7.159 473 HE2 TYR 60 2HE TYR 60 12.895 0.783 4.924 474 HH TYR 60 HH TYR 60 15.997 2.013 6.243 475 H TRP 61 H TRP 61 7.568 4.213 8.143 476 HA TRP 61 HA TRP 61 6.354 6.896 7.512 477 HB2 TRP 61 1HB TRP 61 5.589 4.272 6.292 478 HB3 TRP 61 2HB TRP 61 4.914 5.827 5.876 479 HD1 TRP 61 HD TRP 61 7.187 3.324 4.679 480 HE1 TRP 61 1HE TRP 61 8.719 4.181 2.809 481 HE3 TRP 61 3HE TRP 61 6.362 8.350 5.204 482 HZ2 TRP 61 2HZ TRP 61 9.358 6.708 1.580 483 HZ3 TRP 61 3HZ TRP 61 7.274 9.937 3.542 484 HH2 TRP 61 HH TRP 61 8.805 9.132 1.742 485 H CYS 62 H CYS 62 5.677 3.633 8.937 486 HA CYS 62 HA CYS 62 3.542 4.980 10.552 487 HB2 CYS 62 1HB CYS 62 2.788 2.617 11.015 488 HB3 CYS 62 2HB CYS 62 2.532 3.230 9.399 489 H SER 63 H SER 63 3.328 4.282 12.785 490 HA SER 63 HA SER 63 5.960 4.002 14.183 491 HB2 SER 63 1HB SER 63 4.615 6.032 14.649 492 HB3 SER 63 2HB SER 63 3.256 5.012 15.140 493 HG SER 63 HG SER 63 4.305 5.545 16.994 494 H LYS 64 H LYS 64 6.391 2.243 15.456 495 HA LYS 64 HA LYS 64 4.385 0.106 15.758 496 HB2 LYS 64 1HB LYS 64 6.210 -1.163 16.729 497 HB3 LYS 64 2HB LYS 64 6.675 -0.497 15.176 498 HG2 LYS 64 1HG LYS 64 8.357 0.783 16.067 499 HG3 LYS 64 2HG LYS 64 7.410 1.264 17.461 500 HD2 LYS 64 1HD LYS 64 9.318 -0.025 18.212 501 HD3 LYS 64 2HD LYS 64 7.814 -0.856 18.580 502 HE2 LYS 64 1HE LYS 64 9.304 -2.533 17.846 503 HE3 LYS 64 2HE LYS 64 8.161 -2.292 16.522 504 HZ1 LYS 64 3HZ LYS 64 10.476 -2.422 15.759 505 HZ2 LYS 64 1HZ LYS 64 9.840 -0.965 15.382 506 HZ3 LYS 64 2HZ LYS 64 10.885 -1.107 16.641 507 H GLY 65 H GLY 65 5.048 2.844 17.564 508 HA2 GLY 65 1HA GLY 65 5.142 1.733 20.247 509 HA3 GLY 65 2HA GLY 65 5.033 3.444 19.800 510 H ALA 66 H ALA 66 3.682 3.562 21.710 511 HA ALA 66 HA ALA 66 0.995 2.409 21.672 512 HB1 ALA 66 1HB ALA 66 2.268 2.797 23.762 513 HB2 ALA 66 2HB ALA 66 2.257 4.550 23.444 514 HB3 ALA 66 3HB ALA 66 0.736 3.690 23.756 515 H SER 67 H SER 67 2.337 5.045 20.030 516 HA SER 67 HA SER 67 -0.316 6.231 19.424 517 HB2 SER 67 1HB SER 67 2.123 7.771 20.408 518 HB3 SER 67 2HB SER 67 0.699 8.518 19.674 519 HG SER 67 HG SER 67 0.616 8.531 21.985 520 HA PRO 68 HA PRO 68 1.584 6.586 15.311 521 HB2 PRO 68 1HB PRO 68 0.122 8.610 14.220 522 HB3 PRO 68 2HB PRO 68 -0.565 6.978 14.518 523 HG2 PRO 68 1HG PRO 68 -0.799 9.442 16.272 524 HG3 PRO 68 2HG PRO 68 -2.111 8.355 15.706 525 HD2 PRO 68 1HD PRO 68 -0.973 8.061 18.151 526 HD3 PRO 68 2HD PRO 68 -1.453 6.636 17.184 527 H GLY 69 H GLY 69 3.012 8.089 14.148 528 HA2 GLY 69 1HA GLY 69 3.809 10.654 14.997 529 HA3 GLY 69 2HA GLY 69 4.645 9.542 16.061 530 H LYS 70 H LYS 70 4.026 10.200 12.647 531 HA LYS 70 HA LYS 70 6.841 9.966 11.851 532 HB2 LYS 70 1HB LYS 70 4.650 8.118 10.796 533 HB3 LYS 70 2HB LYS 70 6.153 8.379 9.926 534 HG2 LYS 70 1HG LYS 70 5.921 7.092 12.646 535 HG3 LYS 70 2HG LYS 70 6.151 6.296 11.096 536 HD2 LYS 70 1HD LYS 70 8.327 7.396 10.792 537 HD3 LYS 70 2HD LYS 70 8.152 8.166 12.391 538 HE2 LYS 70 1HE LYS 70 7.978 5.930 13.447 539 HE3 LYS 70 2HE LYS 70 8.153 5.157 11.869 540 HZ1 LYS 70 3HZ LYS 70 10.247 5.238 13.090 541 HZ2 LYS 70 1HZ LYS 70 10.388 6.103 11.710 542 HZ3 LYS 70 2HZ LYS 70 10.214 6.870 13.151 543 H ASP 71 H ASP 71 6.825 10.253 9.297 544 HA ASP 71 HA ASP 71 5.754 12.800 8.605 545 HB2 ASP 71 1HB ASP 71 7.725 11.658 7.572 546 HB3 ASP 71 2HB ASP 71 6.627 10.536 6.767 547 H CYS 72 H CYS 72 4.311 9.596 8.323 548 HA CYS 72 HA CYS 72 1.921 10.668 6.894 549 HB2 CYS 72 1HB CYS 72 2.656 7.814 7.559 550 HB3 CYS 72 2HB CYS 72 1.359 8.363 6.512 551 H ASN 73 H ASN 73 2.805 10.382 10.095 552 HA ASN 73 HA ASN 73 1.721 10.239 12.067 553 HB2 ASN 73 1HB ASN 73 1.126 12.434 11.045 554 HB3 ASN 73 2HB ASN 73 -0.389 11.736 10.474 555 HD21 ASN 73 2HD2 ASN 73 -1.610 13.280 11.757 556 HD22 ASN 73 1HD2 ASN 73 -1.706 13.107 13.501 557 H VAL 74 H VAL 74 1.548 7.796 11.325 558 HA VAL 74 HA VAL 74 -1.122 6.830 12.107 559 HB VAL 74 HB VAL 74 -1.128 7.121 9.623 560 HG11 VAL 74 1HG1 VAL 74 1.244 6.583 9.143 561 HG12 VAL 74 2HG1 VAL 74 0.946 4.887 9.587 562 HG13 VAL 74 3HG1 VAL 74 0.127 5.592 8.189 563 HG21 VAL 74 3HG2 VAL 74 -2.148 5.008 9.106 564 HG22 VAL 74 1HG2 VAL 74 -1.355 4.224 10.488 565 HG23 VAL 74 2HG2 VAL 74 -2.588 5.479 10.754 566 H LYS 75 H LYS 75 -1.150 4.747 12.918 567 HA LYS 75 HA LYS 75 1.461 3.728 13.899 568 HB2 LYS 75 1HB LYS 75 -0.668 4.539 15.271 569 HB3 LYS 75 2HB LYS 75 -1.219 2.888 14.987 570 HG2 LYS 75 1HG LYS 75 0.898 2.053 16.062 571 HG3 LYS 75 2HG LYS 75 1.413 3.734 16.276 572 HD2 LYS 75 1HD LYS 75 0.520 3.365 18.353 573 HD3 LYS 75 2HD LYS 75 -0.879 4.026 17.541 574 HE2 LYS 75 1HE LYS 75 -1.660 2.172 18.777 575 HE3 LYS 75 2HE LYS 75 -1.650 1.629 17.094 576 HZ1 LYS 75 3HZ LYS 75 -0.670 0.021 18.725 577 HZ2 LYS 75 1HZ LYS 75 0.405 0.432 17.558 578 HZ3 LYS 75 2HZ LYS 75 0.540 1.083 19.039 579 H CYS 76 H CYS 76 2.160 1.659 13.516 580 HA CYS 76 HA CYS 76 1.519 0.230 11.220 581 HB2 CYS 76 1HB CYS 76 2.611 -0.888 13.837 582 HB3 CYS 76 2HB CYS 76 2.796 -1.598 12.240 583 H SER 77 H SER 77 0.109 -0.328 14.454 584 HA SER 77 HA SER 77 -1.284 -2.760 13.740 585 HB2 SER 77 1HB SER 77 -0.619 -2.009 16.051 586 HB3 SER 77 2HB SER 77 -1.956 -0.842 15.992 587 HG SER 77 HG SER 77 -2.543 -2.850 17.006 588 H ASP 78 H ASP 78 -2.242 0.686 13.508 589 HA ASP 78 HA ASP 78 -5.043 0.112 12.969 590 HB2 ASP 78 1HB ASP 78 -3.312 2.586 12.639 591 HB3 ASP 78 2HB ASP 78 -5.003 2.528 12.162 592 H LEU 79 H LEU 79 -2.196 -0.178 11.066 593 HA LEU 79 HA LEU 79 -3.513 0.092 8.460 594 HB2 LEU 79 1HB LEU 79 -0.887 -1.319 9.058 595 HB3 LEU 79 2HB LEU 79 -1.459 -0.662 7.531 596 HG LEU 79 HG LEU 79 -0.539 0.937 9.946 597 HD11 LEU 79 1HD1 LEU 79 1.269 -0.065 8.659 598 HD12 LEU 79 2HD1 LEU 79 0.567 0.522 7.138 599 HD13 LEU 79 3HD1 LEU 79 1.217 1.672 8.324 600 HD21 LEU 79 3HD2 LEU 79 -0.811 2.926 8.429 601 HD22 LEU 79 1HD2 LEU 79 -1.684 1.878 7.296 602 HD23 LEU 79 2HD2 LEU 79 -2.352 2.197 8.911 603 H LEU 80 H LEU 80 -3.500 -2.321 10.877 604 HA LEU 80 HA LEU 80 -3.952 -4.567 9.012 605 HB2 LEU 80 1HB LEU 80 -3.844 -4.592 12.040 606 HB3 LEU 80 2HB LEU 80 -3.776 -5.981 10.963 607 HG LEU 80 HG LEU 80 -1.645 -3.826 11.224 608 HD11 LEU 80 1HD1 LEU 80 -1.814 -5.334 13.174 609 HD12 LEU 80 2HD1 LEU 80 -1.676 -6.746 12.103 610 HD13 LEU 80 3HD1 LEU 80 -0.316 -5.620 12.279 611 HD21 LEU 80 3HD2 LEU 80 -0.233 -5.332 9.821 612 HD22 LEU 80 1HD2 LEU 80 -1.654 -6.348 9.516 613 HD23 LEU 80 2HD2 LEU 80 -1.607 -4.664 8.939 614 H THR 81 H THR 81 -5.914 -2.222 9.810 615 HA THR 81 HA THR 81 -8.232 -3.576 10.952 616 HB THR 81 HB THR 81 -9.379 -1.401 10.479 617 HG1 THR 81 1HG THR 81 -6.912 -0.234 9.930 618 HG21 THR 81 3HG2 THR 81 -8.082 -0.079 12.118 619 HG22 THR 81 1HG2 THR 81 -8.323 -1.755 12.640 620 HG23 THR 81 2HG2 THR 81 -6.748 -1.248 12.008 621 H ASP 82 H ASP 82 -10.403 -3.113 9.781 622 HA ASP 82 HA ASP 82 -10.285 -4.807 7.375 623 HB2 ASP 82 1HB ASP 82 -12.682 -3.877 8.997 624 HB3 ASP 82 2HB ASP 82 -12.658 -5.170 7.797 625 H ASP 83 H ASP 83 -9.953 -1.673 7.557 626 HA ASP 83 HA ASP 83 -11.070 -1.276 4.851 627 HB2 ASP 83 1HB ASP 83 -12.575 -0.066 6.467 628 HB3 ASP 83 2HB ASP 83 -11.195 0.923 6.949 629 H ILE 84 H ILE 84 -9.509 -0.713 3.541 630 HA ILE 84 HA ILE 84 -6.786 -0.733 4.403 631 HB ILE 84 HB ILE 84 -6.240 -0.637 2.083 632 HG12 ILE 84 1HG1 ILE 84 -9.075 0.359 1.532 633 HG13 ILE 84 2HG1 ILE 84 -7.617 1.346 1.516 634 HG21 ILE 84 1HG2 ILE 84 -7.517 -2.693 2.919 635 HG22 ILE 84 2HG2 ILE 84 -8.961 -2.027 2.160 636 HG23 ILE 84 3HG2 ILE 84 -7.566 -2.460 1.171 637 HD11 ILE 84 3HD1 ILE 84 -8.255 0.835 -0.723 638 HD12 ILE 84 1HD1 ILE 84 -6.690 0.067 -0.334 639 HD13 ILE 84 2HD1 ILE 84 -8.186 -0.908 -0.413 640 H THR 85 H THR 85 -8.926 1.886 4.366 641 HA THR 85 HA THR 85 -7.560 3.988 3.216 642 HB THR 85 HB THR 85 -9.883 4.015 3.888 643 HG1 THR 85 1HG THR 85 -8.920 5.936 3.423 644 HG21 THR 85 3HG2 THR 85 -10.598 4.563 6.112 645 HG22 THR 85 1HG2 THR 85 -9.647 3.071 6.184 646 HG23 THR 85 2HG2 THR 85 -8.922 4.613 6.705 647 H LYS 86 H LYS 86 -6.954 2.824 6.540 648 HA LYS 86 HA LYS 86 -5.261 5.035 7.289 649 HB2 LYS 86 1HB LYS 86 -5.128 2.128 8.209 650 HB3 LYS 86 2HB LYS 86 -4.396 3.509 9.020 651 HG2 LYS 86 1HG LYS 86 -7.363 2.942 8.720 652 HG3 LYS 86 2HG LYS 86 -6.393 2.824 10.185 653 HD2 LYS 86 1HD LYS 86 -5.919 5.323 9.949 654 HD3 LYS 86 2HD LYS 86 -7.168 5.369 8.696 655 HE2 LYS 86 1HE LYS 86 -7.550 4.429 11.581 656 HE3 LYS 86 2HE LYS 86 -7.983 6.027 10.971 657 HZ1 LYS 86 3HZ LYS 86 -9.903 4.569 11.027 658 HZ2 LYS 86 1HZ LYS 86 -9.581 4.964 9.477 659 HZ3 LYS 86 2HZ LYS 86 -9.189 3.475 10.049 660 H ALA 87 H ALA 87 -4.626 2.129 5.406 661 HA ALA 87 HA ALA 87 -1.715 2.651 5.244 662 HB1 ALA 87 1HB ALA 87 -2.755 0.325 5.466 663 HB2 ALA 87 2HB ALA 87 -3.380 0.530 3.812 664 HB3 ALA 87 3HB ALA 87 -1.623 0.540 4.128 665 H ALA 88 H ALA 88 -4.625 2.828 3.167 666 HA ALA 88 HA ALA 88 -3.274 3.590 0.792 667 HB1 ALA 88 1HB ALA 88 -5.600 2.663 0.987 668 HB2 ALA 88 2HB ALA 88 -6.135 4.243 1.622 669 HB3 ALA 88 3HB ALA 88 -5.479 4.111 -0.016 670 H LYS 89 H LYS 89 -4.710 5.729 3.330 671 HA LYS 89 HA LYS 89 -4.019 8.193 1.975 672 HB2 LYS 89 1HB LYS 89 -4.636 7.445 4.850 673 HB3 LYS 89 2HB LYS 89 -4.289 9.109 4.358 674 HG2 LYS 89 1HG LYS 89 -6.175 9.214 2.893 675 HG3 LYS 89 2HG LYS 89 -6.472 7.471 3.007 676 HD2 LYS 89 1HD LYS 89 -7.095 7.645 5.335 677 HD3 LYS 89 2HD LYS 89 -6.700 9.378 5.376 678 HE2 LYS 89 1HE LYS 89 -8.513 9.968 3.975 679 HE3 LYS 89 2HE LYS 89 -8.675 8.327 3.336 680 HZ1 LYS 89 3HZ LYS 89 -10.432 8.859 4.927 681 HZ2 LYS 89 1HZ LYS 89 -9.531 7.587 5.420 682 HZ3 LYS 89 2HZ LYS 89 -9.336 9.063 6.127 683 H CYS 90 H CYS 90 -2.228 6.105 4.189 684 HA CYS 90 HA CYS 90 0.106 7.842 4.440 685 HB2 CYS 90 1HB CYS 90 -0.409 6.163 6.086 686 HB3 CYS 90 2HB CYS 90 -0.344 4.868 4.886 687 H ALA 91 H ALA 91 -0.800 5.164 2.214 688 HA ALA 91 HA ALA 91 1.534 5.214 0.626 689 HB1 ALA 91 1HB ALA 91 -0.225 3.459 0.613 690 HB2 ALA 91 2HB ALA 91 -1.311 4.574 -0.230 691 HB3 ALA 91 3HB ALA 91 0.184 4.044 -1.014 692 H LYS 92 H LYS 92 -1.402 7.382 0.333 693 HA LYS 92 HA LYS 92 -0.349 8.797 -1.917 694 HB2 LYS 92 1HB LYS 92 -1.997 10.066 0.289 695 HB3 LYS 92 2HB LYS 92 -1.851 10.561 -1.394 696 HG2 LYS 92 1HG LYS 92 -3.364 8.224 -0.254 697 HG3 LYS 92 2HG LYS 92 -3.990 9.605 -1.079 698 HD2 LYS 92 1HD LYS 92 -2.235 8.347 -2.968 699 HD3 LYS 92 2HD LYS 92 -3.056 7.046 -2.104 700 HE2 LYS 92 1HE LYS 92 -4.338 7.560 -4.055 701 HE3 LYS 92 2HE LYS 92 -5.257 8.117 -2.651 702 HZ1 LYS 92 3HZ LYS 92 -5.242 9.768 -4.440 703 HZ2 LYS 92 1HZ LYS 92 -4.476 10.382 -3.133 704 HZ3 LYS 92 2HZ LYS 92 -3.608 9.856 -4.420 705 H LYS 93 H LYS 93 0.166 9.404 1.589 706 HA LYS 93 HA LYS 93 1.853 11.699 1.181 707 HB2 LYS 93 1HB LYS 93 0.635 11.195 3.275 708 HB3 LYS 93 2HB LYS 93 1.660 9.787 3.537 709 HG2 LYS 93 1HG LYS 93 2.308 11.684 4.932 710 HG3 LYS 93 2HG LYS 93 3.624 11.199 3.867 711 HD2 LYS 93 1HD LYS 93 3.212 13.121 2.405 712 HD3 LYS 93 2HD LYS 93 1.749 13.549 3.333 713 HE2 LYS 93 1HE LYS 93 3.168 13.862 5.362 714 HE3 LYS 93 2HE LYS 93 4.602 13.462 4.416 715 HZ1 LYS 93 3HZ LYS 93 4.301 15.855 4.618 716 HZ2 LYS 93 1HZ LYS 93 4.166 15.427 3.045 717 HZ3 LYS 93 2HZ LYS 93 2.828 15.790 3.918 718 H ILE 94 H ILE 94 2.576 8.250 1.120 719 HA ILE 94 HA ILE 94 5.471 8.639 0.848 720 HB ILE 94 HB ILE 94 3.686 6.299 0.071 721 HG12 ILE 94 1HG1 ILE 94 5.649 6.537 2.365 722 HG13 ILE 94 2HG1 ILE 94 3.959 6.909 2.581 723 HG21 ILE 94 1HG2 ILE 94 5.695 6.309 -1.315 724 HG22 ILE 94 2HG2 ILE 94 6.713 6.678 0.086 725 HG23 ILE 94 3HG2 ILE 94 5.921 5.086 -0.066 726 HD11 ILE 94 3HD1 ILE 94 4.347 4.670 3.353 727 HD12 ILE 94 1HD1 ILE 94 3.356 4.585 1.889 728 HD13 ILE 94 2HD1 ILE 94 5.090 4.189 1.820 729 H TYR 95 H TYR 95 2.825 8.099 -1.559 730 HA TYR 95 HA TYR 95 4.405 8.278 -3.848 731 HB2 TYR 95 1HB TYR 95 2.384 7.439 -4.281 732 HB3 TYR 95 2HB TYR 95 1.528 8.521 -3.193 733 HD1 TYR 95 2HD TYR 95 1.144 10.964 -3.911 734 HD2 TYR 95 1HD TYR 95 2.158 7.765 -6.616 735 HE1 TYR 95 2HE TYR 95 0.261 12.296 -5.818 736 HE2 TYR 95 1HE TYR 95 1.295 9.095 -8.525 737 HH TYR 95 HH TYR 95 0.325 11.076 -9.195 738 H LYS 96 H LYS 96 3.156 10.938 -1.942 739 HA LYS 96 HA LYS 96 3.825 13.184 -3.542 740 HB2 LYS 96 1HB LYS 96 3.773 12.523 -0.585 741 HB3 LYS 96 2HB LYS 96 4.257 14.133 -1.094 742 HG2 LYS 96 1HG LYS 96 1.587 12.894 -1.896 743 HG3 LYS 96 2HG LYS 96 1.823 13.876 -0.445 744 HD2 LYS 96 1HD LYS 96 2.578 15.780 -1.854 745 HD3 LYS 96 2HD LYS 96 2.294 14.808 -3.315 746 HE2 LYS 96 1HE LYS 96 -0.097 14.560 -2.689 747 HE3 LYS 96 2HE LYS 96 0.180 15.521 -1.232 748 HZ1 LYS 96 3HZ LYS 96 -0.725 16.876 -3.022 749 HZ2 LYS 96 1HZ LYS 96 0.779 17.398 -2.659 750 HZ3 LYS 96 2HZ LYS 96 0.523 16.512 -4.010 751 H ARG 97 H ARG 97 5.980 11.000 -1.855 752 HA ARG 97 HA ARG 97 8.377 12.725 -2.357 753 HB2 ARG 97 1HB ARG 97 7.990 10.485 -0.395 754 HB3 ARG 97 2HB ARG 97 9.475 11.410 -0.691 755 HG2 ARG 97 1HG ARG 97 8.078 13.543 -0.196 756 HG3 ARG 97 2HG ARG 97 6.827 12.436 0.421 757 HD2 ARG 97 1HD ARG 97 8.647 11.388 1.808 758 HD3 ARG 97 2HD ARG 97 9.696 12.734 1.399 759 HE ARG 97 HE ARG 97 7.506 12.714 3.334 760 HH11 ARG 97 1HH2 ARG 97 9.268 14.937 1.200 761 HH12 ARG 97 2HH2 ARG 97 8.959 16.299 2.234 762 HH21 ARG 97 1HH1 ARG 97 7.236 14.476 4.651 763 HH22 ARG 97 2HH1 ARG 97 7.809 16.045 4.146 764 H HIS 98 H HIS 98 6.996 9.512 -2.807 765 HA HIS 98 HA HIS 98 8.875 8.740 -4.982 766 HB2 HIS 98 1HB HIS 98 8.392 7.252 -2.360 767 HB3 HIS 98 2HB HIS 98 9.172 6.543 -3.763 768 HD2 HIS 98 2HD HIS 98 9.927 8.445 -0.661 769 HE1 HIS 98 1HE HIS 98 13.471 8.749 -2.998 770 HE2 HIS 98 2HE HIS 98 12.469 9.125 -0.686 771 H ARG 99 H ARG 99 6.986 8.944 -6.367 772 HA ARG 99 HA ARG 99 4.424 8.235 -5.959 773 HB2 ARG 99 1HB ARG 99 4.030 8.147 -8.251 774 HB3 ARG 99 2HB ARG 99 5.029 9.506 -7.742 775 HG2 ARG 99 1HG ARG 99 7.060 8.330 -8.628 776 HG3 ARG 99 2HG ARG 99 6.007 6.990 -9.182 777 HD2 ARG 99 1HD ARG 99 4.627 8.616 -10.401 778 HD3 ARG 99 2HD ARG 99 5.710 9.920 -9.894 779 HE ARG 99 HE ARG 99 7.345 8.007 -11.144 780 HH11 ARG 99 1HH1 ARG 99 4.691 10.090 -12.211 781 HH12 ARG 99 2HH1 ARG 99 5.261 10.128 -13.853 782 HH21 ARG 99 1HH2 ARG 99 8.025 8.099 -13.279 783 HH22 ARG 99 2HH2 ARG 99 7.124 9.020 -14.444 784 H PHE 100 H PHE 100 6.805 5.943 -7.275 785 HA PHE 100 HA PHE 100 5.262 3.699 -6.067 786 HB2 PHE 100 1HB PHE 100 6.467 3.594 -8.848 787 HB3 PHE 100 2HB PHE 100 5.623 2.309 -7.989 788 HD1 PHE 100 1HD PHE 100 3.162 2.898 -7.169 789 HD2 PHE 100 2HD PHE 100 5.211 4.781 -10.461 790 HE1 PHE 100 1HE PHE 100 0.991 3.532 -8.152 791 HE2 PHE 100 2HE PHE 100 3.026 5.427 -11.444 792 HZ PHE 100 HZ PHE 100 0.910 4.799 -10.293 793 H ASP 101 H ASP 101 8.185 5.335 -6.348 794 HA ASP 101 HA ASP 101 10.079 3.280 -6.653 795 HB2 ASP 101 1HB ASP 101 10.643 5.949 -5.347 796 HB3 ASP 101 2HB ASP 101 11.674 5.001 -6.401 797 H ALA 102 H ALA 102 8.323 4.090 -3.839 798 HA ALA 102 HA ALA 102 10.346 3.251 -1.886 799 HB1 ALA 102 1HB ALA 102 8.698 5.014 -1.367 800 HB2 ALA 102 2HB ALA 102 7.369 3.857 -1.616 801 HB3 ALA 102 3HB ALA 102 8.509 3.631 -0.277 802 H TRP 103 H TRP 103 8.317 1.535 -3.997 803 HA TRP 103 HA TRP 103 8.069 -0.813 -2.154 804 HB2 TRP 103 1HB TRP 103 6.337 0.178 -4.431 805 HB3 TRP 103 2HB TRP 103 6.127 -1.369 -3.621 806 HD1 TRP 103 HD TRP 103 5.483 -1.323 -1.009 807 HE1 TRP 103 1HE TRP 103 3.999 0.262 0.299 808 HE3 TRP 103 3HE TRP 103 5.811 2.742 -4.076 809 HZ2 TRP 103 2HZ TRP 103 2.880 2.942 -0.058 810 HZ3 TRP 103 3HZ TRP 103 4.515 4.793 -3.596 811 HH2 TRP 103 HH TRP 103 2.990 4.882 -1.631 812 H TYR 104 H TYR 104 9.266 -2.428 -2.508 813 HA TYR 104 HA TYR 104 10.883 -2.998 -4.791 814 HB2 TYR 104 1HB TYR 104 10.086 -5.162 -2.908 815 HB3 TYR 104 2HB TYR 104 11.660 -4.778 -3.593 816 HD1 TYR 104 1HD TYR 104 12.794 -2.582 -2.745 817 HD2 TYR 104 2HD TYR 104 9.370 -4.383 -0.869 818 HE1 TYR 104 1HE TYR 104 13.323 -1.347 -0.620 819 HE2 TYR 104 2HE TYR 104 9.879 -3.154 1.268 820 HH TYR 104 HH TYR 104 11.296 -1.681 2.325 821 H GLY 105 H GLY 105 7.703 -4.073 -3.715 822 HA2 GLY 105 1HA GLY 105 7.300 -6.229 -5.517 823 HA3 GLY 105 2HA GLY 105 6.063 -5.323 -4.611 824 H TRP 106 H TRP 106 7.185 -2.795 -6.061 825 HA TRP 106 HA TRP 106 5.740 -3.107 -8.639 826 HB2 TRP 106 1HB TRP 106 4.999 -1.297 -7.308 827 HB3 TRP 106 2HB TRP 106 6.630 -0.711 -7.023 828 HD1 TRP 106 HD TRP 106 3.813 -0.527 -9.555 829 HE1 TRP 106 1HE TRP 106 4.449 1.043 -11.481 830 HE3 TRP 106 3HE TRP 106 8.631 0.409 -8.207 831 HZ2 TRP 106 2HZ TRP 106 6.812 2.522 -12.328 832 HZ3 TRP 106 3HZ TRP 106 10.107 1.782 -9.605 833 HH2 TRP 106 HH TRP 106 9.206 2.889 -11.677 834 H LYS 107 H LYS 107 8.972 -1.969 -7.440 835 HA LYS 107 HA LYS 107 9.936 -1.496 -10.101 836 HB2 LYS 107 1HB LYS 107 12.115 -1.088 -9.082 837 HB3 LYS 107 2HB LYS 107 10.814 -0.265 -8.219 838 HG2 LYS 107 1HG LYS 107 10.801 -1.961 -6.534 839 HG3 LYS 107 2HG LYS 107 12.089 -2.868 -7.351 840 HD2 LYS 107 1HD LYS 107 13.098 -1.667 -5.543 841 HD3 LYS 107 2HD LYS 107 13.583 -0.851 -7.039 842 HE2 LYS 107 1HE LYS 107 11.808 0.859 -6.676 843 HE3 LYS 107 2HE LYS 107 11.275 0.012 -5.221 844 HZ1 LYS 107 3HZ LYS 107 12.704 1.853 -4.668 845 HZ2 LYS 107 1HZ LYS 107 13.470 0.469 -4.248 846 HZ3 LYS 107 2HZ LYS 107 13.933 1.283 -5.593 847 H ASN 108 H ASN 108 9.773 -4.500 -8.397 848 HA ASN 108 HA ASN 108 11.679 -5.794 -10.284 849 HB2 ASN 108 1HB ASN 108 10.278 -6.772 -7.774 850 HB3 ASN 108 2HB ASN 108 11.260 -7.800 -8.807 851 HD21 ASN 108 2HD2 ASN 108 11.368 -5.454 -6.279 852 HD22 ASN 108 1HD2 ASN 108 13.127 -5.382 -6.162 853 H HIS 109 H HIS 109 8.324 -5.181 -10.293 854 HA HIS 109 HA HIS 109 7.807 -7.567 -12.055 855 HB2 HIS 109 1HB HIS 109 6.073 -6.578 -9.764 856 HB3 HIS 109 2HB HIS 109 5.663 -7.862 -10.896 857 HD2 HIS 109 2HD HIS 109 7.592 -7.228 -7.707 858 HE1 HIS 109 1HE HIS 109 8.333 -11.296 -8.715 859 HE2 HIS 109 2HE HIS 109 8.589 -9.526 -6.900 860 H CYS 110 H CYS 110 6.601 -4.296 -11.170 861 HA CYS 110 HA CYS 110 4.580 -4.272 -13.251 862 HB2 CYS 110 1HB CYS 110 5.755 -2.067 -11.515 863 HB3 CYS 110 2HB CYS 110 4.346 -1.887 -12.536 864 H GLN 111 H GLN 111 7.853 -4.073 -13.675 865 HA GLN 111 HA GLN 111 7.955 -1.802 -15.529 866 HB2 GLN 111 1HB GLN 111 10.110 -3.880 -14.996 867 HB3 GLN 111 2HB GLN 111 10.306 -2.250 -15.634 868 HG2 GLN 111 1HG GLN 111 9.615 -3.066 -12.783 869 HG3 GLN 111 2HG GLN 111 11.073 -2.276 -13.349 870 HE21 GLN 111 2HE2 GLN 111 8.241 -1.642 -11.671 871 HE22 GLN 111 1HE2 GLN 111 8.170 0.078 -12.031 872 H GLY 112 H GLY 112 7.422 -5.247 -15.834 873 HA2 GLY 112 1HA GLY 112 7.998 -5.278 -18.756 874 HA3 GLY 112 2HA GLY 112 7.571 -6.659 -17.719 875 H SER 113 H SER 113 5.264 -6.044 -16.551 876 HA SER 113 HA SER 113 3.238 -5.218 -18.547 877 HB2 SER 113 1HB SER 113 3.493 -8.055 -17.458 878 HB3 SER 113 2HB SER 113 2.074 -7.420 -18.299 879 HG SER 113 HG SER 113 3.481 -8.599 -19.702 880 H LEU 114 H LEU 114 1.182 -4.844 -17.641 881 HA LEU 114 HA LEU 114 0.899 -5.089 -14.681 882 HB2 LEU 114 1HB LEU 114 -0.121 -2.998 -16.650 883 HB3 LEU 114 2HB LEU 114 -0.673 -3.110 -14.987 884 HG LEU 114 HG LEU 114 2.242 -2.637 -15.757 885 HD11 LEU 114 1HD1 LEU 114 0.748 -0.810 -16.500 886 HD12 LEU 114 2HD1 LEU 114 0.136 -0.644 -14.834 887 HD13 LEU 114 3HD1 LEU 114 1.843 -0.306 -15.203 888 HD21 LEU 114 3HD2 LEU 114 2.347 -1.837 -13.353 889 HD22 LEU 114 1HD2 LEU 114 0.733 -2.518 -13.105 890 HD23 LEU 114 2HD2 LEU 114 2.095 -3.581 -13.520 891 HA PRO 115 HA PRO 115 -2.826 -7.456 -15.496 892 HB2 PRO 115 1HB PRO 115 -4.324 -6.922 -13.284 893 HB3 PRO 115 2HB PRO 115 -2.839 -7.926 -13.217 894 HG2 PRO 115 1HG PRO 115 -3.135 -4.975 -12.568 895 HG3 PRO 115 2HG PRO 115 -2.322 -6.246 -11.596 896 HD2 PRO 115 1HD PRO 115 -0.943 -4.597 -13.272 897 HD3 PRO 115 2HD PRO 115 -0.475 -6.312 -13.067 898 H ASP 116 H ASP 116 -4.916 -7.131 -16.312 899 HA ASP 116 HA ASP 116 -5.686 -4.388 -17.020 900 HB2 ASP 116 1HB ASP 116 -5.865 -6.186 -18.670 901 HB3 ASP 116 2HB ASP 116 -6.978 -7.066 -17.617 902 H ILE 117 H ILE 117 -7.574 -3.443 -16.529 903 HA ILE 117 HA ILE 117 -9.177 -4.308 -14.152 904 HB ILE 117 HB ILE 117 -9.088 -2.020 -13.270 905 HG12 ILE 117 1HG1 ILE 117 -6.966 -1.439 -15.393 906 HG13 ILE 117 2HG1 ILE 117 -8.641 -0.906 -15.504 907 HG21 ILE 117 1HG2 ILE 117 -7.478 -3.756 -12.468 908 HG22 ILE 117 2HG2 ILE 117 -6.264 -3.122 -13.598 909 HG23 ILE 117 3HG2 ILE 117 -6.877 -2.107 -12.280 910 HD11 ILE 117 3HD1 ILE 117 -7.309 0.891 -14.699 911 HD12 ILE 117 1HD1 ILE 117 -8.390 0.348 -13.396 912 HD13 ILE 117 2HD1 ILE 117 -6.662 -0.107 -13.380 913 H SER 118 H SER 118 -9.280 -3.456 -17.343 914 HA SER 118 HA SER 118 -11.301 -1.508 -17.536 915 HB2 SER 118 1HB SER 118 -10.771 -3.764 -19.504 916 HB3 SER 118 2HB SER 118 -11.545 -2.211 -19.843 917 HG SER 118 HG SER 118 -8.828 -2.779 -19.252 918 H SER 119 H SER 119 -11.784 -4.736 -16.467 919 HA SER 119 HA SER 119 -14.668 -4.845 -17.108 920 HB2 SER 119 1HB SER 119 -14.470 -7.011 -15.857 921 HB3 SER 119 2HB SER 119 -13.446 -6.890 -17.298 922 HG SER 119 HG SER 119 -12.311 -7.759 -15.475 923 H CYS 120 H CYS 120 -12.752 -3.424 -14.680 924 HA CYS 120 HA CYS 120 -14.575 -3.899 -12.424 925 HB2 CYS 120 1HB CYS 120 -12.067 -2.212 -12.612 926 HB3 CYS 120 2HB CYS 120 -12.875 -2.735 -11.139 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -9.246 -7.580 10.215 2 H2 GLY 1 2H GLY 1 -8.013 -8.663 10.357 3 H3 GLY 1 3H GLY 1 -7.744 -7.068 10.664 4 HA2 GLY 1 1HA GLY 1 -8.229 -6.495 8.389 5 HA3 GLY 1 2HA GLY 1 -6.836 -7.576 8.533 6 H LYS 2 H LYS 2 -7.857 -7.511 6.159 7 HA LYS 2 HA LYS 2 -9.228 -10.049 5.646 8 HB2 LYS 2 1HB LYS 2 -11.140 -9.069 4.541 9 HB3 LYS 2 2HB LYS 2 -11.075 -8.465 6.200 10 HG2 LYS 2 1HG LYS 2 -9.990 -6.357 5.340 11 HG3 LYS 2 2HG LYS 2 -10.199 -6.957 3.695 12 HD2 LYS 2 1HD LYS 2 -12.463 -6.355 5.650 13 HD3 LYS 2 2HD LYS 2 -11.874 -5.297 4.378 14 HE2 LYS 2 1HE LYS 2 -13.657 -6.182 3.288 15 HE3 LYS 2 2HE LYS 2 -12.390 -7.281 2.747 16 HZ1 LYS 2 3HZ LYS 2 -14.387 -8.466 3.460 17 HZ2 LYS 2 1HZ LYS 2 -13.170 -8.854 4.476 18 HZ3 LYS 2 2HZ LYS 2 -14.330 -7.800 4.947 19 H THR 3 H THR 3 -9.523 -10.441 3.295 20 HA THR 3 HA THR 3 -7.315 -9.230 1.697 21 HB THR 3 HB THR 3 -8.452 -12.005 1.300 22 HG1 THR 3 1HG THR 3 -6.673 -12.692 2.495 23 HG21 THR 3 3HG2 THR 3 -6.243 -12.327 0.162 24 HG22 THR 3 1HG2 THR 3 -7.197 -11.061 -0.621 25 HG23 THR 3 2HG2 THR 3 -5.857 -10.617 0.457 26 H PHE 4 H PHE 4 -7.732 -8.337 -0.180 27 HA PHE 4 HA PHE 4 -10.533 -8.180 -1.169 28 HB2 PHE 4 1HB PHE 4 -8.047 -6.499 -1.717 29 HB3 PHE 4 2HB PHE 4 -9.568 -6.238 -2.507 30 HD1 PHE 4 1HD PHE 4 -8.030 -6.274 0.954 31 HD2 PHE 4 2HD PHE 4 -11.266 -4.884 -1.557 32 HE1 PHE 4 1HE PHE 4 -8.933 -4.952 2.828 33 HE2 PHE 4 2HE PHE 4 -12.154 -3.567 0.330 34 HZ PHE 4 HZ PHE 4 -11.006 -3.608 2.537 35 H THR 5 H THR 5 -10.933 -8.199 -3.442 36 HA THR 5 HA THR 5 -9.104 -9.867 -5.133 37 HB THR 5 HB THR 5 -11.385 -10.787 -4.825 38 HG1 THR 5 1HG THR 5 -11.561 -11.182 -7.029 39 HG21 THR 5 3HG2 THR 5 -13.290 -9.788 -5.948 40 HG22 THR 5 1HG2 THR 5 -12.682 -8.618 -4.769 41 HG23 THR 5 2HG2 THR 5 -12.323 -8.411 -6.502 42 H ARG 6 H ARG 6 -9.081 -9.080 -7.493 43 HA ARG 6 HA ARG 6 -7.890 -6.514 -7.425 44 HB2 ARG 6 1HB ARG 6 -7.385 -8.312 -9.057 45 HB3 ARG 6 2HB ARG 6 -8.896 -7.964 -9.905 46 HG2 ARG 6 1HG ARG 6 -8.139 -5.663 -10.383 47 HG3 ARG 6 2HG ARG 6 -6.675 -5.910 -9.419 48 HD2 ARG 6 1HD ARG 6 -7.408 -7.439 -11.947 49 HD3 ARG 6 2HD ARG 6 -6.284 -6.075 -11.864 50 HE ARG 6 HE ARG 6 -5.092 -7.618 -10.070 51 HH11 ARG 6 1HH1 ARG 6 -6.562 -8.885 -13.046 52 HH12 ARG 6 2HH1 ARG 6 -5.441 -10.211 -13.117 53 HH21 ARG 6 1HH2 ARG 6 -3.605 -9.168 -10.336 54 HH22 ARG 6 2HH2 ARG 6 -3.786 -10.397 -11.573 55 H CYS 7 H CYS 7 -11.110 -7.374 -8.803 56 HA CYS 7 HA CYS 7 -11.873 -4.703 -9.488 57 HB2 CYS 7 1HB CYS 7 -12.978 -6.782 -10.285 58 HB3 CYS 7 2HB CYS 7 -13.638 -7.043 -8.670 59 H GLY 8 H GLY 8 -12.204 -6.447 -6.406 60 HA2 GLY 8 1HA GLY 8 -13.702 -4.446 -4.987 61 HA3 GLY 8 2HA GLY 8 -12.662 -5.698 -4.263 62 H LEU 9 H LEU 9 -10.139 -5.059 -5.160 63 HA LEU 9 HA LEU 9 -9.396 -2.780 -3.634 64 HB2 LEU 9 1HB LEU 9 -7.985 -4.793 -4.067 65 HB3 LEU 9 2HB LEU 9 -7.850 -4.326 -5.766 66 HG LEU 9 HG LEU 9 -6.758 -2.202 -5.074 67 HD11 LEU 9 1HD1 LEU 9 -7.643 -1.848 -2.852 68 HD12 LEU 9 2HD1 LEU 9 -6.983 -3.395 -2.288 69 HD13 LEU 9 3HD1 LEU 9 -5.893 -2.041 -2.701 70 HD21 LEU 9 3HD2 LEU 9 -4.609 -3.115 -4.567 71 HD22 LEU 9 1HD2 LEU 9 -5.322 -4.593 -3.886 72 HD23 LEU 9 2HD2 LEU 9 -5.432 -4.260 -5.633 73 H VAL 10 H VAL 10 -9.598 -3.138 -7.225 74 HA VAL 10 HA VAL 10 -8.836 -0.531 -7.971 75 HB VAL 10 HB VAL 10 -10.970 -2.355 -9.152 76 HG11 VAL 10 1HG1 VAL 10 -11.685 -0.188 -9.881 77 HG12 VAL 10 2HG1 VAL 10 -10.029 0.342 -10.189 78 HG13 VAL 10 3HG1 VAL 10 -10.786 -0.882 -11.228 79 HG21 VAL 10 3HG2 VAL 10 -9.354 -2.741 -10.929 80 HG22 VAL 10 1HG2 VAL 10 -8.219 -1.580 -10.208 81 HG23 VAL 10 2HG2 VAL 10 -8.591 -3.099 -9.381 82 H HIS 11 H HIS 11 -12.056 -1.645 -6.900 83 HA HIS 11 HA HIS 11 -13.343 0.946 -7.019 84 HB2 HIS 11 1HB HIS 11 -14.036 -1.638 -5.573 85 HB3 HIS 11 2HB HIS 11 -15.059 -0.215 -5.573 86 HD2 HIS 11 2HD HIS 11 -13.676 -0.430 -9.014 87 HE1 HIS 11 1HE HIS 11 -17.333 -2.600 -9.164 88 HE2 HIS 11 2HE HIS 11 -15.524 -1.501 -10.565 89 H GLU 12 H GLU 12 -11.810 -0.839 -4.324 90 HA GLU 12 HA GLU 12 -12.539 0.973 -2.260 91 HB2 GLU 12 1HB GLU 12 -11.421 -1.472 -2.294 92 HB3 GLU 12 2HB GLU 12 -9.944 -0.553 -2.130 93 HG2 GLU 12 1HG GLU 12 -10.851 -1.332 0.014 94 HG3 GLU 12 2HG GLU 12 -10.793 0.439 -0.058 95 H LEU 13 H LEU 13 -9.630 0.893 -4.332 96 HA LEU 13 HA LEU 13 -8.418 3.246 -3.153 97 HB2 LEU 13 1HB LEU 13 -8.038 1.916 -5.845 98 HB3 LEU 13 2HB LEU 13 -6.928 3.087 -5.134 99 HG LEU 13 HG LEU 13 -7.577 0.375 -3.936 100 HD11 LEU 13 1HD1 LEU 13 -6.434 0.129 -6.051 101 HD12 LEU 13 2HD1 LEU 13 -5.207 1.333 -5.566 102 HD13 LEU 13 3HD1 LEU 13 -5.301 -0.238 -4.733 103 HD21 LEU 13 3HD2 LEU 13 -5.662 0.704 -2.495 104 HD22 LEU 13 1HD2 LEU 13 -5.381 2.322 -3.187 105 HD23 LEU 13 2HD2 LEU 13 -6.840 1.993 -2.224 106 H ARG 14 H ARG 14 -10.531 2.767 -5.983 107 HA ARG 14 HA ARG 14 -10.578 5.482 -6.902 108 HB2 ARG 14 1HB ARG 14 -12.596 3.230 -7.046 109 HB3 ARG 14 2HB ARG 14 -12.980 4.836 -7.664 110 HG2 ARG 14 1HG ARG 14 -11.233 4.777 -9.292 111 HG3 ARG 14 2HG ARG 14 -10.532 3.306 -8.596 112 HD2 ARG 14 1HD ARG 14 -12.513 2.018 -9.147 113 HD3 ARG 14 2HD ARG 14 -13.339 3.472 -9.761 114 HE ARG 14 HE ARG 14 -10.929 3.169 -11.199 115 HH11 ARG 14 1HH1 ARG 14 -14.052 1.506 -10.901 116 HH12 ARG 14 2HH1 ARG 14 -13.842 0.668 -12.425 117 HH21 ARG 14 1HH2 ARG 14 -10.820 2.083 -13.231 118 HH22 ARG 14 2HH2 ARG 14 -12.122 1.012 -13.682 119 H LYS 15 H LYS 15 -12.616 3.894 -4.378 120 HA LYS 15 HA LYS 15 -14.074 6.291 -3.641 121 HB2 LYS 15 1HB LYS 15 -13.412 3.724 -2.153 122 HB3 LYS 15 2HB LYS 15 -14.446 4.989 -1.490 123 HG2 LYS 15 1HG LYS 15 -16.048 4.745 -3.325 124 HG3 LYS 15 2HG LYS 15 -15.055 3.504 -4.085 125 HD2 LYS 15 1HD LYS 15 -16.368 3.301 -1.338 126 HD3 LYS 15 2HD LYS 15 -16.945 2.532 -2.827 127 HE2 LYS 15 1HE LYS 15 -14.821 1.239 -2.981 128 HE3 LYS 15 2HE LYS 15 -14.254 1.998 -1.488 129 HZ1 LYS 15 3HZ LYS 15 -15.134 -0.148 -1.016 130 HZ2 LYS 15 1HZ LYS 15 -16.109 0.964 -0.323 131 HZ3 LYS 15 2HZ LYS 15 -16.596 0.201 -1.693 132 H HIS 16 H HIS 16 -10.982 4.921 -2.538 133 HA HIS 16 HA HIS 16 -10.668 6.871 -0.427 134 HB2 HIS 16 1HB HIS 16 -8.883 4.664 -1.524 135 HB3 HIS 16 2HB HIS 16 -8.451 5.678 -0.153 136 HD2 HIS 16 2HD HIS 16 -8.456 3.019 0.851 137 HE1 HIS 16 1HE HIS 16 -12.549 3.219 1.944 138 HE2 HIS 16 2HE HIS 16 -10.392 1.994 2.354 139 H GLY 17 H GLY 17 -10.161 7.350 -3.674 140 HA2 GLY 17 1HA GLY 17 -9.695 9.536 -4.439 141 HA3 GLY 17 2HA GLY 17 -8.623 9.826 -3.052 142 H PHE 18 H PHE 18 -8.165 6.853 -4.879 143 HA PHE 18 HA PHE 18 -5.518 7.747 -5.746 144 HB2 PHE 18 1HB PHE 18 -7.027 5.150 -6.020 145 HB3 PHE 18 2HB PHE 18 -5.462 5.437 -6.761 146 HD1 PHE 18 2HD PHE 18 -6.999 5.845 -3.312 147 HD2 PHE 18 1HD PHE 18 -3.609 4.653 -5.690 148 HE1 PHE 18 2HE PHE 18 -5.767 5.299 -1.272 149 HE2 PHE 18 1HE PHE 18 -2.386 4.020 -3.624 150 HZ PHE 18 HZ PHE 18 -3.454 4.340 -1.410 151 H GLU 19 H GLU 19 -4.737 7.408 -7.924 152 HA GLU 19 HA GLU 19 -6.332 8.987 -9.762 153 HB2 GLU 19 1HB GLU 19 -3.587 7.769 -10.201 154 HB3 GLU 19 2HB GLU 19 -4.324 9.120 -11.034 155 HG2 GLU 19 1HG GLU 19 -2.670 10.007 -9.636 156 HG3 GLU 19 2HG GLU 19 -4.226 10.445 -8.926 157 H GLU 20 H GLU 20 -7.534 8.226 -11.435 158 HA GLU 20 HA GLU 20 -7.918 5.411 -11.790 159 HB2 GLU 20 1HB GLU 20 -9.457 5.997 -13.550 160 HB3 GLU 20 2HB GLU 20 -9.764 6.885 -12.069 161 HG2 GLU 20 1HG GLU 20 -8.124 8.183 -14.274 162 HG3 GLU 20 2HG GLU 20 -9.866 8.028 -14.425 163 H ASN 21 H ASN 21 -5.698 7.610 -13.380 164 HA ASN 21 HA ASN 21 -5.140 5.737 -15.574 165 HB2 ASN 21 1HB ASN 21 -3.654 7.363 -16.393 166 HB3 ASN 21 2HB ASN 21 -5.100 8.222 -15.885 167 HD21 ASN 21 2HD2 ASN 21 -1.979 8.828 -16.091 168 HD22 ASN 21 1HD2 ASN 21 -1.691 9.664 -14.577 169 H LEU 22 H LEU 22 -4.077 6.095 -12.298 170 HA LEU 22 HA LEU 22 -1.595 4.495 -12.824 171 HB2 LEU 22 1HB LEU 22 -2.482 5.906 -10.292 172 HB3 LEU 22 2HB LEU 22 -0.967 5.076 -10.544 173 HG LEU 22 HG LEU 22 -1.851 7.673 -11.852 174 HD11 LEU 22 1HD1 LEU 22 -1.095 7.749 -9.470 175 HD12 LEU 22 2HD1 LEU 22 0.447 7.030 -9.949 176 HD13 LEU 22 3HD1 LEU 22 -0.016 8.636 -10.562 177 HD21 LEU 22 3HD2 LEU 22 0.425 7.761 -12.862 178 HD22 LEU 22 1HD2 LEU 22 0.711 6.087 -12.342 179 HD23 LEU 22 2HD2 LEU 22 -0.554 6.455 -13.534 180 H MET 23 H MET 23 -4.827 4.051 -11.811 181 HA MET 23 HA MET 23 -4.798 2.306 -9.743 182 HB2 MET 23 1HB MET 23 -6.738 3.244 -11.117 183 HB3 MET 23 2HB MET 23 -6.543 1.872 -12.186 184 HG2 MET 23 1HG MET 23 -8.331 1.506 -10.513 185 HG3 MET 23 2HG MET 23 -7.044 0.322 -10.331 186 HE1 MET 23 3HE MET 23 -7.987 3.883 -7.581 187 HE2 MET 23 1HE MET 23 -6.817 4.159 -8.894 188 HE3 MET 23 2HE MET 23 -8.478 3.654 -9.269 189 H ARG 24 H ARG 24 -4.185 1.231 -13.126 190 HA ARG 24 HA ARG 24 -3.776 -1.510 -12.665 191 HB2 ARG 24 1HB ARG 24 -2.293 0.317 -14.614 192 HB3 ARG 24 2HB ARG 24 -2.349 -1.450 -14.670 193 HG2 ARG 24 1HG ARG 24 -4.830 -1.334 -14.936 194 HG3 ARG 24 2HG ARG 24 -4.711 0.436 -15.001 195 HD2 ARG 24 1HD ARG 24 -4.834 -0.292 -17.253 196 HD3 ARG 24 2HD ARG 24 -3.146 0.181 -16.973 197 HE ARG 24 HE ARG 24 -3.631 -2.641 -16.459 198 HH11 ARG 24 1HH1 ARG 24 -3.072 -0.421 -19.164 199 HH12 ARG 24 2HH1 ARG 24 -2.516 -1.696 -20.205 200 HH21 ARG 24 1HH2 ARG 24 -2.889 -4.218 -17.836 201 HH22 ARG 24 2HH2 ARG 24 -2.414 -3.821 -19.460 202 H ASN 25 H ASN 25 -1.299 1.110 -12.463 203 HA ASN 25 HA ASN 25 0.873 -0.621 -11.645 204 HB2 ASN 25 1HB ASN 25 0.413 2.383 -11.446 205 HB3 ASN 25 2HB ASN 25 1.824 1.595 -10.758 206 HD21 ASN 25 2HD2 ASN 25 0.414 2.750 -13.740 207 HD22 ASN 25 1HD2 ASN 25 1.752 2.243 -14.750 208 H TRP 26 H TRP 26 -1.532 1.334 -9.794 209 HA TRP 26 HA TRP 26 -0.446 0.770 -7.227 210 HB2 TRP 26 1HB TRP 26 -3.187 1.631 -8.196 211 HB3 TRP 26 2HB TRP 26 -2.863 1.317 -6.501 212 HD1 TRP 26 HD TRP 26 -2.976 4.134 -8.712 213 HE1 TRP 26 1HE TRP 26 -1.842 6.178 -7.671 214 HE3 TRP 26 3HE TRP 26 -0.301 1.747 -5.074 215 HZ2 TRP 26 2HZ TRP 26 0.140 6.682 -5.576 216 HZ3 TRP 26 3HZ TRP 26 1.138 3.019 -3.524 217 HH2 TRP 26 HH TRP 26 1.363 5.486 -3.753 218 H VAL 27 H VAL 27 -3.189 -0.925 -8.906 219 HA VAL 27 HA VAL 27 -3.373 -2.842 -6.766 220 HB VAL 27 HB VAL 27 -4.812 -4.190 -8.031 221 HG11 VAL 27 1HG1 VAL 27 -5.623 -1.950 -7.204 222 HG12 VAL 27 2HG1 VAL 27 -5.475 -1.344 -8.864 223 HG13 VAL 27 3HG1 VAL 27 -6.575 -2.679 -8.501 224 HG21 VAL 27 3HG2 VAL 27 -5.343 -3.827 -10.427 225 HG22 VAL 27 1HG2 VAL 27 -3.978 -2.696 -10.539 226 HG23 VAL 27 2HG2 VAL 27 -3.697 -4.410 -10.156 227 H CYS 28 H CYS 28 -1.406 -2.871 -9.748 228 HA CYS 28 HA CYS 28 -0.484 -5.579 -9.444 229 HB2 CYS 28 1HB CYS 28 -0.550 -4.102 -11.479 230 HB3 CYS 28 2HB CYS 28 0.867 -3.261 -10.879 231 H LEU 29 H LEU 29 0.810 -2.490 -8.251 232 HA LEU 29 HA LEU 29 3.159 -3.478 -6.920 233 HB2 LEU 29 1HB LEU 29 2.759 -1.163 -7.483 234 HB3 LEU 29 2HB LEU 29 1.308 -1.080 -6.512 235 HG LEU 29 HG LEU 29 4.099 -1.423 -5.349 236 HD11 LEU 29 1HD1 LEU 29 3.798 0.715 -6.620 237 HD12 LEU 29 2HD1 LEU 29 2.346 1.067 -5.667 238 HD13 LEU 29 3HD1 LEU 29 3.935 1.001 -4.888 239 HD21 LEU 29 3HD2 LEU 29 2.978 -0.480 -3.271 240 HD22 LEU 29 1HD2 LEU 29 1.414 -0.714 -4.063 241 HD23 LEU 29 2HD2 LEU 29 2.453 -2.105 -3.670 242 H VAL 30 H VAL 30 -0.132 -2.775 -5.653 243 HA VAL 30 HA VAL 30 0.356 -3.742 -3.042 244 HB VAL 30 HB VAL 30 -2.191 -3.379 -4.635 245 HG11 VAL 30 1HG1 VAL 30 -2.779 -5.103 -3.014 246 HG12 VAL 30 2HG1 VAL 30 -1.983 -4.187 -1.712 247 HG13 VAL 30 3HG1 VAL 30 -3.449 -3.561 -2.504 248 HG21 VAL 30 3HG2 VAL 30 -2.483 -1.430 -3.159 249 HG22 VAL 30 1HG2 VAL 30 -1.019 -1.867 -2.252 250 HG23 VAL 30 2HG2 VAL 30 -0.898 -1.339 -3.936 251 H GLU 31 H GLU 31 -0.977 -5.550 -5.862 252 HA GLU 31 HA GLU 31 -1.452 -7.989 -4.467 253 HB2 GLU 31 1HB GLU 31 -0.835 -7.310 -7.376 254 HB3 GLU 31 2HB GLU 31 -1.080 -8.983 -6.853 255 HG2 GLU 31 1HG GLU 31 -3.289 -8.546 -6.071 256 HG3 GLU 31 2HG GLU 31 -3.138 -6.809 -6.320 257 H HIS 32 H HIS 32 1.600 -6.881 -6.171 258 HA HIS 32 HA HIS 32 3.001 -9.303 -5.515 259 HB2 HIS 32 1HB HIS 32 3.486 -7.607 -7.326 260 HB3 HIS 32 2HB HIS 32 4.179 -6.566 -6.082 261 HD2 HIS 32 2HD HIS 32 4.882 -9.391 -8.378 262 HE1 HIS 32 1HE HIS 32 8.256 -9.318 -5.778 263 HE2 HIS 32 2HE HIS 32 7.342 -10.266 -7.959 264 H GLU 33 H GLU 33 2.545 -6.255 -3.758 265 HA GLU 33 HA GLU 33 4.629 -6.789 -1.813 266 HB2 GLU 33 1HB GLU 33 2.454 -4.700 -2.050 267 HB3 GLU 33 2HB GLU 33 3.468 -4.785 -0.627 268 HG2 GLU 33 1HG GLU 33 4.561 -4.469 -3.447 269 HG3 GLU 33 2HG GLU 33 4.216 -3.139 -2.349 270 H SER 34 H SER 34 1.004 -6.624 -1.301 271 HA SER 34 HA SER 34 1.406 -8.376 1.108 272 HB2 SER 34 1HB SER 34 -0.575 -7.327 1.994 273 HB3 SER 34 2HB SER 34 0.559 -6.062 1.501 274 HG SER 34 HG SER 34 -0.856 -5.374 0.117 275 H SER 35 H SER 35 0.241 -8.644 -2.041 276 HA SER 35 HA SER 35 -1.284 -9.882 -3.128 277 HB2 SER 35 1HB SER 35 -1.556 -11.617 -0.655 278 HB3 SER 35 2HB SER 35 -2.063 -12.005 -2.300 279 HG SER 35 HG SER 35 -0.024 -12.953 -1.773 280 H ARG 36 H ARG 36 -2.117 -7.535 -1.527 281 HA ARG 36 HA ARG 36 -3.936 -6.340 -1.109 282 HB2 ARG 36 1HB ARG 36 -5.913 -8.385 -2.051 283 HB3 ARG 36 2HB ARG 36 -5.932 -6.621 -2.149 284 HG2 ARG 36 1HG ARG 36 -4.177 -6.820 -3.986 285 HG3 ARG 36 2HG ARG 36 -4.420 -8.570 -3.904 286 HD2 ARG 36 1HD ARG 36 -7.025 -7.836 -4.059 287 HD3 ARG 36 2HD ARG 36 -6.332 -6.429 -4.828 288 HE ARG 36 HE ARG 36 -5.749 -7.689 -6.665 289 HH11 ARG 36 1HH1 ARG 36 -6.780 -10.016 -4.168 290 HH12 ARG 36 2HH1 ARG 36 -6.574 -11.354 -5.261 291 HH21 ARG 36 1HH2 ARG 36 -5.533 -9.363 -7.929 292 HH22 ARG 36 2HH2 ARG 36 -5.959 -10.997 -7.430 293 H ASP 37 H ASP 37 -2.907 -7.996 0.922 294 HA ASP 37 HA ASP 37 -5.330 -8.715 2.573 295 HB2 ASP 37 1HB ASP 37 -4.020 -10.694 2.046 296 HB3 ASP 37 2HB ASP 37 -2.551 -9.904 2.615 297 H THR 38 H THR 38 -5.744 -7.249 4.108 298 HA THR 38 HA THR 38 -3.764 -5.272 4.882 299 HB THR 38 HB THR 38 -5.315 -4.464 6.555 300 HG1 THR 38 1HG THR 38 -7.231 -5.364 6.880 301 HG21 THR 38 3HG2 THR 38 -7.203 -3.826 5.118 302 HG22 THR 38 1HG2 THR 38 -5.649 -3.648 4.295 303 HG23 THR 38 2HG2 THR 38 -6.717 -5.034 3.912 304 H SER 39 H SER 39 -4.586 -8.455 6.173 305 HA SER 39 HA SER 39 -3.541 -7.934 8.850 306 HB2 SER 39 1HB SER 39 -4.238 -10.510 7.393 307 HB3 SER 39 2HB SER 39 -3.785 -10.391 9.090 308 HG SER 39 HG SER 39 -6.059 -10.440 8.797 309 H LYS 40 H LYS 40 -1.910 -8.187 5.950 310 HA LYS 40 HA LYS 40 0.120 -10.093 6.657 311 HB2 LYS 40 1HB LYS 40 -0.793 -9.359 4.332 312 HB3 LYS 40 2HB LYS 40 0.277 -7.985 4.476 313 HG2 LYS 40 1HG LYS 40 1.546 -9.549 3.239 314 HG3 LYS 40 2HG LYS 40 2.178 -9.753 4.863 315 HD2 LYS 40 1HD LYS 40 1.832 -11.967 4.056 316 HD3 LYS 40 2HD LYS 40 0.462 -11.676 5.132 317 HE2 LYS 40 1HE LYS 40 -0.602 -10.757 2.798 318 HE3 LYS 40 2HE LYS 40 0.575 -11.881 2.126 319 HZ1 LYS 40 3HZ LYS 40 -1.470 -13.034 2.460 320 HZ2 LYS 40 1HZ LYS 40 -0.482 -13.590 3.640 321 HZ3 LYS 40 2HZ LYS 40 -1.660 -12.481 3.981 322 H THR 41 H THR 41 2.214 -9.853 7.211 323 HA THR 41 HA THR 41 3.475 -7.248 7.723 324 HB THR 41 HB THR 41 4.322 -8.106 9.954 325 HG1 THR 41 1HG THR 41 2.848 -9.641 10.962 326 HG21 THR 41 3HG2 THR 41 2.488 -7.397 11.317 327 HG22 THR 41 1HG2 THR 41 2.657 -6.333 9.939 328 HG23 THR 41 2HG2 THR 41 1.345 -7.541 9.949 329 H ASN 42 H ASN 42 5.784 -7.389 7.974 330 HA ASN 42 HA ASN 42 7.076 -10.031 7.641 331 HB2 ASN 42 1HB ASN 42 6.731 -7.988 5.531 332 HB3 ASN 42 2HB ASN 42 8.379 -8.534 5.685 333 HD21 ASN 42 2HD2 ASN 42 5.582 -9.036 3.988 334 HD22 ASN 42 1HD2 ASN 42 5.799 -10.733 3.587 335 H THR 43 H THR 43 8.910 -10.157 8.774 336 HA THR 43 HA THR 43 9.910 -7.810 10.244 337 HB THR 43 HB THR 43 10.927 -10.666 10.399 338 HG1 THR 43 1HG THR 43 9.321 -11.109 11.779 339 HG21 THR 43 3HG2 THR 43 11.294 -10.029 12.794 340 HG22 THR 43 1HG2 THR 43 12.244 -9.035 11.686 341 HG23 THR 43 2HG2 THR 43 10.764 -8.374 12.419 342 H ASN 44 H ASN 44 11.923 -6.942 10.144 343 HA ASN 44 HA ASN 44 13.671 -7.694 7.835 344 HB2 ASN 44 1HB ASN 44 13.739 -5.181 9.524 345 HB3 ASN 44 2HB ASN 44 14.563 -5.452 7.992 346 HD21 ASN 44 2HD2 ASN 44 12.271 -3.684 9.209 347 HD22 ASN 44 1HD2 ASN 44 11.076 -3.620 7.918 348 H ARG 45 H ARG 45 15.974 -7.651 8.143 349 HA ARG 45 HA ARG 45 17.022 -9.080 10.350 350 HB2 ARG 45 1HB ARG 45 19.213 -8.532 9.443 351 HB3 ARG 45 2HB ARG 45 18.083 -9.043 8.184 352 HG2 ARG 45 1HG ARG 45 17.785 -6.643 7.520 353 HG3 ARG 45 2HG ARG 45 18.975 -6.180 8.751 354 HD2 ARG 45 1HD ARG 45 20.683 -7.596 7.610 355 HD3 ARG 45 2HD ARG 45 19.487 -8.039 6.394 356 HE ARG 45 HE ARG 45 19.661 -5.961 5.392 357 HH11 ARG 45 1HH1 ARG 45 21.503 -5.816 8.415 358 HH12 ARG 45 2HH1 ARG 45 22.246 -4.303 7.988 359 HH21 ARG 45 1HH2 ARG 45 20.655 -4.021 4.913 360 HH22 ARG 45 2HH2 ARG 45 21.771 -3.305 6.035 361 H ASN 46 H ASN 46 16.783 -5.655 9.864 362 HA ASN 46 HA ASN 46 18.343 -4.685 12.039 363 HB2 ASN 46 1HB ASN 46 17.700 -3.367 10.084 364 HB3 ASN 46 2HB ASN 46 15.995 -3.515 10.493 365 HD21 ASN 46 2HD2 ASN 46 15.090 -1.916 11.773 366 HD22 ASN 46 1HD2 ASN 46 16.036 -0.709 12.632 367 H GLY 47 H GLY 47 15.246 -6.259 12.197 368 HA2 GLY 47 1HA GLY 47 14.045 -6.800 14.146 369 HA3 GLY 47 2HA GLY 47 14.832 -5.477 15.040 370 H SER 48 H SER 48 13.849 -4.178 12.137 371 HA SER 48 HA SER 48 11.346 -2.989 13.137 372 HB2 SER 48 1HB SER 48 11.504 -1.915 10.792 373 HB3 SER 48 2HB SER 48 12.701 -1.451 12.009 374 HG SER 48 HG SER 48 13.663 -1.925 9.941 375 H LYS 49 H LYS 49 9.466 -2.975 11.528 376 HA LYS 49 HA LYS 49 9.110 -5.508 10.061 377 HB2 LYS 49 1HB LYS 49 8.423 -5.674 12.620 378 HB3 LYS 49 2HB LYS 49 6.995 -4.797 12.087 379 HG2 LYS 49 1HG LYS 49 6.633 -6.687 10.395 380 HG3 LYS 49 2HG LYS 49 7.937 -7.542 11.243 381 HD2 LYS 49 1HD LYS 49 6.552 -7.073 13.414 382 HD3 LYS 49 2HD LYS 49 5.248 -6.629 12.315 383 HE2 LYS 49 1HE LYS 49 4.805 -8.866 12.851 384 HE3 LYS 49 2HE LYS 49 5.533 -8.953 11.241 385 HZ1 LYS 49 3HZ LYS 49 6.453 -10.604 12.769 386 HZ2 LYS 49 1HZ LYS 49 7.628 -9.582 12.285 387 HZ3 LYS 49 2HZ LYS 49 6.981 -9.440 13.787 388 H ASP 50 H ASP 50 7.577 -5.495 8.581 389 HA ASP 50 HA ASP 50 6.292 -2.929 7.862 390 HB2 ASP 50 1HB ASP 50 6.648 -3.338 5.761 391 HB3 ASP 50 2HB ASP 50 7.802 -4.540 6.309 392 H TYR 51 H TYR 51 4.141 -2.725 7.451 393 HA TYR 51 HA TYR 51 2.249 -4.860 8.340 394 HB2 TYR 51 1HB TYR 51 2.357 -1.948 9.226 395 HB3 TYR 51 2HB TYR 51 1.088 -3.084 9.648 396 HD1 TYR 51 2HD TYR 51 4.677 -2.227 10.128 397 HD2 TYR 51 1HD TYR 51 1.324 -4.528 11.532 398 HE1 TYR 51 2HE TYR 51 5.904 -2.740 12.208 399 HE2 TYR 51 1HE TYR 51 2.551 -5.058 13.630 400 HH TYR 51 HH TYR 51 4.497 -4.752 14.835 401 H GLY 52 H GLY 52 0.198 -4.809 7.465 402 HA2 GLY 52 1HA GLY 52 -1.692 -3.976 6.408 403 HA3 GLY 52 2HA GLY 52 -0.888 -2.412 6.235 404 H LEU 53 H LEU 53 -2.355 -2.771 4.291 405 HA LEU 53 HA LEU 53 -1.751 -4.648 2.319 406 HB2 LEU 53 1HB LEU 53 -3.751 -2.774 2.757 407 HB3 LEU 53 2HB LEU 53 -2.859 -1.951 1.494 408 HG LEU 53 HG LEU 53 -3.007 -4.361 0.293 409 HD11 LEU 53 1HD1 LEU 53 -4.065 -5.450 2.196 410 HD12 LEU 53 2HD1 LEU 53 -5.408 -4.280 2.156 411 HD13 LEU 53 3HD1 LEU 53 -5.203 -5.393 0.823 412 HD21 LEU 53 3HD2 LEU 53 -5.048 -3.715 -0.796 413 HD22 LEU 53 1HD2 LEU 53 -5.384 -2.497 0.472 414 HD23 LEU 53 2HD2 LEU 53 -3.986 -2.293 -0.615 415 H PHE 54 H PHE 54 -0.216 -1.542 2.727 416 HA PHE 54 HA PHE 54 1.231 -1.860 0.140 417 HB2 PHE 54 1HB PHE 54 1.007 0.490 2.042 418 HB3 PHE 54 2HB PHE 54 1.913 0.493 0.543 419 HD1 PHE 54 2HD PHE 54 -1.513 0.286 1.966 420 HD2 PHE 54 1HD PHE 54 0.837 0.802 -1.605 421 HE1 PHE 54 2HE PHE 54 -3.546 0.952 0.744 422 HE2 PHE 54 1HE PHE 54 -1.206 1.503 -2.829 423 HZ PHE 54 HZ PHE 54 -3.402 1.576 -1.664 424 H GLN 55 H GLN 55 1.648 -3.194 3.035 425 HA GLN 55 HA GLN 55 3.390 -3.933 4.301 426 HB2 GLN 55 1HB GLN 55 4.757 -3.723 1.586 427 HB3 GLN 55 2HB GLN 55 5.423 -4.580 2.967 428 HG2 GLN 55 1HG GLN 55 2.812 -5.218 1.517 429 HG3 GLN 55 2HG GLN 55 4.352 -6.039 1.298 430 HE21 GLN 55 2HE2 GLN 55 1.629 -5.555 3.638 431 HE22 GLN 55 1HE2 GLN 55 2.080 -6.940 4.586 432 H ILE 56 H ILE 56 2.994 -1.600 5.143 433 HA ILE 56 HA ILE 56 5.113 0.350 4.593 434 HB ILE 56 HB ILE 56 2.819 0.608 6.590 435 HG12 ILE 56 1HG1 ILE 56 2.911 1.122 3.570 436 HG13 ILE 56 2HG1 ILE 56 1.798 0.031 4.418 437 HG21 ILE 56 1HG2 ILE 56 4.665 2.215 6.744 438 HG22 ILE 56 2HG2 ILE 56 4.400 2.680 5.045 439 HG23 ILE 56 3HG2 ILE 56 3.155 2.978 6.285 440 HD11 ILE 56 3HD1 ILE 56 0.511 1.911 3.798 441 HD12 ILE 56 1HD1 ILE 56 0.818 2.123 5.535 442 HD13 ILE 56 2HD1 ILE 56 1.756 3.042 4.329 443 H ASN 57 H ASN 57 6.858 0.745 5.846 444 HA ASN 57 HA ASN 57 7.326 -1.135 8.039 445 HB2 ASN 57 1HB ASN 57 8.830 -0.683 6.008 446 HB3 ASN 57 2HB ASN 57 9.270 0.819 6.836 447 HD21 ASN 57 2HD2 ASN 57 11.326 0.492 7.665 448 HD22 ASN 57 1HD2 ASN 57 11.814 -0.969 8.501 449 H ASP 58 H ASP 58 7.638 -0.703 10.109 450 HA ASP 58 HA ASP 58 6.673 1.669 11.266 451 HB2 ASP 58 1HB ASP 58 7.019 0.710 13.327 452 HB3 ASP 58 2HB ASP 58 6.736 -0.661 12.260 453 H ARG 59 H ARG 59 9.802 1.159 10.076 454 HA ARG 59 HA ARG 59 11.216 3.001 11.855 455 HB2 ARG 59 1HB ARG 59 12.098 0.882 10.718 456 HB3 ARG 59 2HB ARG 59 12.159 1.823 9.220 457 HG2 ARG 59 1HG ARG 59 13.780 3.376 10.242 458 HG3 ARG 59 2HG ARG 59 13.613 2.540 11.799 459 HD2 ARG 59 1HD ARG 59 14.412 0.427 10.661 460 HD3 ARG 59 2HD ARG 59 14.699 1.386 9.199 461 HE ARG 59 HE ARG 59 15.974 2.368 11.659 462 HH11 ARG 59 1HH1 ARG 59 16.484 0.367 8.780 463 HH12 ARG 59 2HH1 ARG 59 18.214 0.420 8.942 464 HH21 ARG 59 1HH2 ARG 59 18.213 2.412 11.787 465 HH22 ARG 59 2HH2 ARG 59 19.173 1.552 10.624 466 H TYR 60 H TYR 60 9.273 3.391 9.018 467 HA TYR 60 HA TYR 60 10.605 6.005 8.335 468 HB2 TYR 60 1HB TYR 60 9.501 3.899 6.460 469 HB3 TYR 60 2HB TYR 60 10.259 5.401 5.980 470 HD1 TYR 60 1HD TYR 60 12.728 5.498 7.658 471 HD2 TYR 60 2HD TYR 60 10.838 2.155 5.692 472 HE1 TYR 60 1HE TYR 60 14.899 4.313 7.596 473 HE2 TYR 60 2HE TYR 60 13.015 0.952 5.652 474 HH TYR 60 HH TYR 60 16.029 2.421 6.937 475 H TRP 61 H TRP 61 7.445 4.296 8.303 476 HA TRP 61 HA TRP 61 6.167 6.916 7.539 477 HB2 TRP 61 1HB TRP 61 5.493 4.195 6.471 478 HB3 TRP 61 2HB TRP 61 4.813 5.715 5.940 479 HD1 TRP 61 HD TRP 61 7.112 3.196 4.895 480 HE1 TRP 61 1HE TRP 61 8.726 4.005 3.070 481 HE3 TRP 61 3HE TRP 61 6.301 8.237 5.281 482 HZ2 TRP 61 2HZ TRP 61 9.460 6.509 1.841 483 HZ3 TRP 61 3HZ TRP 61 7.305 9.792 3.641 484 HH2 TRP 61 HH TRP 61 8.936 8.936 1.944 485 H CYS 62 H CYS 62 5.447 3.661 8.968 486 HA CYS 62 HA CYS 62 3.300 4.996 10.573 487 HB2 CYS 62 1HB CYS 62 2.609 2.633 11.091 488 HB3 CYS 62 2HB CYS 62 2.338 3.183 9.450 489 H SER 63 H SER 63 3.088 4.265 12.820 490 HA SER 63 HA SER 63 5.754 3.916 14.147 491 HB2 SER 63 1HB SER 63 4.231 6.073 14.337 492 HB3 SER 63 2HB SER 63 3.352 5.091 15.509 493 HG SER 63 HG SER 63 4.997 6.130 16.631 494 H LYS 64 H LYS 64 6.048 2.409 15.688 495 HA LYS 64 HA LYS 64 4.076 0.234 15.812 496 HB2 LYS 64 1HB LYS 64 5.894 -1.046 16.784 497 HB3 LYS 64 2HB LYS 64 6.399 -0.274 15.296 498 HG2 LYS 64 1HG LYS 64 8.043 0.924 16.322 499 HG3 LYS 64 2HG LYS 64 6.998 1.430 17.634 500 HD2 LYS 64 1HD LYS 64 8.835 0.141 18.539 501 HD3 LYS 64 2HD LYS 64 7.302 -0.678 18.805 502 HE2 LYS 64 1HE LYS 64 8.840 -2.369 18.206 503 HE3 LYS 64 2HE LYS 64 7.791 -2.142 16.802 504 HZ1 LYS 64 3HZ LYS 64 10.163 -2.294 16.221 505 HZ2 LYS 64 1HZ LYS 64 9.536 -0.863 15.747 506 HZ3 LYS 64 2HZ LYS 64 10.494 -0.942 17.081 507 H GLY 65 H GLY 65 4.598 2.859 17.824 508 HA2 GLY 65 1HA GLY 65 4.318 1.598 20.440 509 HA3 GLY 65 2HA GLY 65 4.214 3.332 20.077 510 H ALA 66 H ALA 66 2.525 3.152 21.786 511 HA ALA 66 HA ALA 66 -0.047 1.955 21.086 512 HB1 ALA 66 1HB ALA 66 0.766 2.106 23.413 513 HB2 ALA 66 2HB ALA 66 0.725 3.886 23.315 514 HB3 ALA 66 3HB ALA 66 -0.779 2.949 23.201 515 H SER 67 H SER 67 1.440 4.792 20.037 516 HA SER 67 HA SER 67 -1.121 6.031 19.162 517 HB2 SER 67 1HB SER 67 1.213 7.481 20.478 518 HB3 SER 67 2HB SER 67 -0.199 8.264 19.768 519 HG SER 67 HG SER 67 -1.505 7.285 21.372 520 HA PRO 68 HA PRO 68 1.204 6.566 15.330 521 HB2 PRO 68 1HB PRO 68 -0.102 8.644 14.152 522 HB3 PRO 68 2HB PRO 68 -0.867 7.035 14.374 523 HG2 PRO 68 1HG PRO 68 -1.150 9.481 16.146 524 HG3 PRO 68 2HG PRO 68 -2.454 8.467 15.443 525 HD2 PRO 68 1HD PRO 68 -1.548 8.067 17.968 526 HD3 PRO 68 2HD PRO 68 -1.997 6.686 16.925 527 H GLY 69 H GLY 69 2.602 8.200 14.193 528 HA2 GLY 69 1HA GLY 69 3.357 10.712 15.070 529 HA3 GLY 69 2HA GLY 69 4.180 9.654 16.200 530 H LYS 70 H LYS 70 3.716 10.307 12.769 531 HA LYS 70 HA LYS 70 6.545 10.074 12.073 532 HB2 LYS 70 1HB LYS 70 4.433 8.172 10.948 533 HB3 LYS 70 2HB LYS 70 5.986 8.432 10.164 534 HG2 LYS 70 1HG LYS 70 5.574 7.201 12.878 535 HG3 LYS 70 2HG LYS 70 5.927 6.373 11.373 536 HD2 LYS 70 1HD LYS 70 8.111 7.332 11.203 537 HD3 LYS 70 2HD LYS 70 7.857 8.364 12.616 538 HE2 LYS 70 1HE LYS 70 7.758 5.313 12.719 539 HE3 LYS 70 2HE LYS 70 9.231 6.250 12.978 540 HZ1 LYS 70 3HZ LYS 70 8.234 5.790 15.092 541 HZ2 LYS 70 1HZ LYS 70 8.083 7.397 14.823 542 HZ3 LYS 70 2HZ LYS 70 6.790 6.415 14.666 543 H ASP 71 H ASP 71 6.620 10.310 9.509 544 HA ASP 71 HA ASP 71 5.486 12.846 8.807 545 HB2 ASP 71 1HB ASP 71 7.604 11.854 7.909 546 HB3 ASP 71 2HB ASP 71 6.638 10.717 6.964 547 H CYS 72 H CYS 72 4.189 9.597 8.418 548 HA CYS 72 HA CYS 72 1.864 10.644 6.854 549 HB2 CYS 72 1HB CYS 72 2.616 7.796 7.527 550 HB3 CYS 72 2HB CYS 72 1.321 8.326 6.467 551 H ASN 73 H ASN 73 2.616 10.404 10.080 552 HA ASN 73 HA ASN 73 1.462 10.300 12.010 553 HB2 ASN 73 1HB ASN 73 0.866 12.455 10.903 554 HB3 ASN 73 2HB ASN 73 -0.616 11.712 10.301 555 HD21 ASN 73 2HD2 ASN 73 -1.904 13.273 11.496 556 HD22 ASN 73 1HD2 ASN 73 -2.059 13.145 13.240 557 H VAL 74 H VAL 74 1.360 7.833 11.301 558 HA VAL 74 HA VAL 74 -1.332 6.844 11.980 559 HB VAL 74 HB VAL 74 -1.244 7.095 9.504 560 HG11 VAL 74 1HG1 VAL 74 1.154 6.607 9.113 561 HG12 VAL 74 2HG1 VAL 74 0.883 4.914 9.584 562 HG13 VAL 74 3HG1 VAL 74 0.099 5.566 8.142 563 HG21 VAL 74 3HG2 VAL 74 -2.206 4.964 8.987 564 HG22 VAL 74 1HG2 VAL 74 -1.429 4.198 10.383 565 HG23 VAL 74 2HG2 VAL 74 -2.697 5.425 10.624 566 H LYS 75 H LYS 75 -1.412 4.767 12.761 567 HA LYS 75 HA LYS 75 1.100 3.789 13.999 568 HB2 LYS 75 1HB LYS 75 -1.029 4.623 15.199 569 HB3 LYS 75 2HB LYS 75 -1.764 3.094 14.723 570 HG2 LYS 75 1HG LYS 75 0.031 1.876 15.993 571 HG3 LYS 75 2HG LYS 75 0.790 3.433 16.362 572 HD2 LYS 75 1HD LYS 75 -0.431 2.937 18.289 573 HD3 LYS 75 2HD LYS 75 -1.420 4.129 17.450 574 HE2 LYS 75 1HE LYS 75 -2.701 2.070 16.494 575 HE3 LYS 75 2HE LYS 75 -1.825 1.127 17.713 576 HZ1 LYS 75 3HZ LYS 75 -3.933 1.816 18.604 577 HZ2 LYS 75 1HZ LYS 75 -2.785 2.680 19.398 578 HZ3 LYS 75 2HZ LYS 75 -3.684 3.379 18.223 579 H CYS 76 H CYS 76 1.897 1.766 13.615 580 HA CYS 76 HA CYS 76 1.385 0.239 11.333 581 HB2 CYS 76 1HB CYS 76 2.438 -0.715 14.032 582 HB3 CYS 76 2HB CYS 76 2.679 -1.507 12.483 583 H SER 77 H SER 77 -0.104 -0.243 14.564 584 HA SER 77 HA SER 77 -1.405 -2.733 13.889 585 HB2 SER 77 1HB SER 77 -0.820 -1.894 16.192 586 HB3 SER 77 2HB SER 77 -2.182 -0.765 16.065 587 HG SER 77 HG SER 77 -2.733 -2.760 17.130 588 H ASP 78 H ASP 78 -2.474 0.676 13.510 589 HA ASP 78 HA ASP 78 -5.219 -0.042 12.837 590 HB2 ASP 78 1HB ASP 78 -3.592 2.520 12.706 591 HB3 ASP 78 2HB ASP 78 -5.216 2.403 12.050 592 H LEU 79 H LEU 79 -2.273 -0.381 11.163 593 HA LEU 79 HA LEU 79 -3.491 -0.138 8.482 594 HB2 LEU 79 1HB LEU 79 -0.838 -1.426 9.195 595 HB3 LEU 79 2HB LEU 79 -1.400 -0.861 7.629 596 HG LEU 79 HG LEU 79 -0.575 0.864 9.989 597 HD11 LEU 79 1HD1 LEU 79 1.272 -0.067 8.716 598 HD12 LEU 79 2HD1 LEU 79 0.520 0.422 7.185 599 HD13 LEU 79 3HD1 LEU 79 1.119 1.650 8.316 600 HD21 LEU 79 3HD2 LEU 79 -0.952 2.798 8.420 601 HD22 LEU 79 1HD2 LEU 79 -1.796 1.680 7.335 602 HD23 LEU 79 2HD2 LEU 79 -2.450 2.021 8.950 603 H LEU 80 H LEU 80 -3.472 -2.494 10.969 604 HA LEU 80 HA LEU 80 -3.842 -4.777 9.128 605 HB2 LEU 80 1HB LEU 80 -3.727 -4.746 12.154 606 HB3 LEU 80 2HB LEU 80 -3.681 -6.161 11.109 607 HG LEU 80 HG LEU 80 -1.531 -4.024 11.331 608 HD11 LEU 80 1HD1 LEU 80 -1.682 -5.552 13.263 609 HD12 LEU 80 2HD1 LEU 80 -1.625 -6.958 12.177 610 HD13 LEU 80 3HD1 LEU 80 -0.217 -5.896 12.333 611 HD21 LEU 80 3HD2 LEU 80 -0.150 -5.509 9.891 612 HD22 LEU 80 1HD2 LEU 80 -1.580 -6.517 9.586 613 HD23 LEU 80 2HD2 LEU 80 -1.531 -4.825 9.035 614 H THR 81 H THR 81 -5.868 -2.478 10.010 615 HA THR 81 HA THR 81 -8.133 -3.993 11.062 616 HB THR 81 HB THR 81 -7.523 -1.686 11.739 617 HG1 THR 81 1HG THR 81 -9.682 -1.109 11.897 618 HG21 THR 81 3HG2 THR 81 -7.978 0.208 10.447 619 HG22 THR 81 1HG2 THR 81 -7.155 -0.856 9.306 620 HG23 THR 81 2HG2 THR 81 -8.920 -0.700 9.234 621 H ASP 82 H ASP 82 -10.300 -3.197 9.909 622 HA ASP 82 HA ASP 82 -10.287 -4.861 7.455 623 HB2 ASP 82 1HB ASP 82 -12.609 -3.922 9.179 624 HB3 ASP 82 2HB ASP 82 -12.674 -5.149 7.913 625 H ASP 83 H ASP 83 -9.789 -1.795 7.696 626 HA ASP 83 HA ASP 83 -11.003 -1.218 5.061 627 HB2 ASP 83 1HB ASP 83 -12.357 -0.007 6.793 628 HB3 ASP 83 2HB ASP 83 -10.901 0.863 7.280 629 H ILE 84 H ILE 84 -9.466 -0.701 3.691 630 HA ILE 84 HA ILE 84 -6.698 -0.749 4.481 631 HB ILE 84 HB ILE 84 -6.188 -0.695 2.165 632 HG12 ILE 84 1HG1 ILE 84 -9.031 0.256 1.591 633 HG13 ILE 84 2HG1 ILE 84 -7.587 1.269 1.570 634 HG21 ILE 84 1HG2 ILE 84 -7.438 -2.736 3.040 635 HG22 ILE 84 2HG2 ILE 84 -8.897 -2.095 2.291 636 HG23 ILE 84 3HG2 ILE 84 -7.508 -2.535 1.290 637 HD11 ILE 84 3HD1 ILE 84 -8.187 0.717 -0.670 638 HD12 ILE 84 1HD1 ILE 84 -6.622 -0.028 -0.253 639 HD13 ILE 84 2HD1 ILE 84 -8.107 -1.020 -0.330 640 H THR 85 H THR 85 -8.874 1.887 4.382 641 HA THR 85 HA THR 85 -7.435 3.925 3.167 642 HB THR 85 HB THR 85 -9.798 3.978 3.846 643 HG1 THR 85 1HG THR 85 -9.690 6.245 4.354 644 HG21 THR 85 3HG2 THR 85 -10.472 4.788 6.002 645 HG22 THR 85 1HG2 THR 85 -9.479 3.347 6.265 646 HG23 THR 85 2HG2 THR 85 -8.787 4.963 6.540 647 H LYS 86 H LYS 86 -6.937 2.829 6.516 648 HA LYS 86 HA LYS 86 -5.228 5.008 7.289 649 HB2 LYS 86 1HB LYS 86 -5.151 2.105 8.212 650 HB3 LYS 86 2HB LYS 86 -4.470 3.488 9.067 651 HG2 LYS 86 1HG LYS 86 -7.431 2.939 8.581 652 HG3 LYS 86 2HG LYS 86 -6.556 2.764 10.097 653 HD2 LYS 86 1HD LYS 86 -6.089 5.226 10.098 654 HD3 LYS 86 2HD LYS 86 -7.079 5.384 8.625 655 HE2 LYS 86 1HE LYS 86 -9.026 4.414 9.826 656 HE3 LYS 86 2HE LYS 86 -8.049 4.258 11.292 657 HZ1 LYS 86 3HZ LYS 86 -9.392 6.272 11.336 658 HZ2 LYS 86 1HZ LYS 86 -7.811 6.682 11.316 659 HZ3 LYS 86 2HZ LYS 86 -8.716 6.828 9.958 660 H ALA 87 H ALA 87 -4.564 2.074 5.439 661 HA ALA 87 HA ALA 87 -1.654 2.624 5.295 662 HB1 ALA 87 1HB ALA 87 -2.653 0.282 5.507 663 HB2 ALA 87 2HB ALA 87 -3.299 0.487 3.861 664 HB3 ALA 87 3HB ALA 87 -1.543 0.517 4.155 665 H ALA 88 H ALA 88 -4.560 2.768 3.226 666 HA ALA 88 HA ALA 88 -3.201 3.446 0.839 667 HB1 ALA 88 1HB ALA 88 -5.565 2.478 1.254 668 HB2 ALA 88 2HB ALA 88 -6.081 4.172 1.469 669 HB3 ALA 88 3HB ALA 88 -5.364 3.618 -0.058 670 H LYS 89 H LYS 89 -4.676 5.657 3.284 671 HA LYS 89 HA LYS 89 -3.999 8.090 1.858 672 HB2 LYS 89 1HB LYS 89 -4.450 7.493 4.807 673 HB3 LYS 89 2HB LYS 89 -4.283 9.117 4.145 674 HG2 LYS 89 1HG LYS 89 -6.486 7.162 3.361 675 HG3 LYS 89 2HG LYS 89 -6.638 8.430 4.578 676 HD2 LYS 89 1HD LYS 89 -6.131 10.138 2.816 677 HD3 LYS 89 2HD LYS 89 -6.125 8.857 1.594 678 HE2 LYS 89 1HE LYS 89 -8.469 9.528 3.436 679 HE3 LYS 89 2HE LYS 89 -8.301 10.107 1.775 680 HZ1 LYS 89 3HZ LYS 89 -9.701 8.134 1.911 681 HZ2 LYS 89 1HZ LYS 89 -8.369 7.832 1.004 682 HZ3 LYS 89 2HZ LYS 89 -8.484 7.244 2.546 683 H CYS 90 H CYS 90 -2.203 6.050 4.118 684 HA CYS 90 HA CYS 90 0.116 7.796 4.369 685 HB2 CYS 90 1HB CYS 90 -0.402 6.121 6.021 686 HB3 CYS 90 2HB CYS 90 -0.322 4.822 4.832 687 H ALA 91 H ALA 91 -0.745 5.104 2.153 688 HA ALA 91 HA ALA 91 1.620 5.122 0.607 689 HB1 ALA 91 1HB ALA 91 -0.159 3.386 0.582 690 HB2 ALA 91 2HB ALA 91 -1.222 4.506 -0.283 691 HB3 ALA 91 3HB ALA 91 0.276 3.950 -1.047 692 H LYS 92 H LYS 92 -1.306 7.278 0.246 693 HA LYS 92 HA LYS 92 -0.255 8.654 -2.028 694 HB2 LYS 92 1HB LYS 92 -1.898 9.991 0.132 695 HB3 LYS 92 2HB LYS 92 -1.774 10.411 -1.573 696 HG2 LYS 92 1HG LYS 92 -3.238 8.123 -0.288 697 HG3 LYS 92 2HG LYS 92 -3.906 9.433 -1.212 698 HD2 LYS 92 1HD LYS 92 -2.238 7.130 -2.311 699 HD3 LYS 92 2HD LYS 92 -3.985 7.306 -2.403 700 HE2 LYS 92 1HE LYS 92 -3.912 9.088 -3.933 701 HE3 LYS 92 2HE LYS 92 -2.201 9.429 -3.617 702 HZ1 LYS 92 3HZ LYS 92 -2.587 8.262 -5.718 703 HZ2 LYS 92 1HZ LYS 92 -1.635 7.372 -4.714 704 HZ3 LYS 92 2HZ LYS 92 -3.209 6.973 -4.926 705 H LYS 93 H LYS 93 0.258 9.330 1.474 706 HA LYS 93 HA LYS 93 1.994 11.578 0.975 707 HB2 LYS 93 1HB LYS 93 0.751 11.287 3.074 708 HB3 LYS 93 2HB LYS 93 1.687 9.841 3.449 709 HG2 LYS 93 1HG LYS 93 2.427 11.799 4.732 710 HG3 LYS 93 2HG LYS 93 3.719 11.142 3.737 711 HD2 LYS 93 1HD LYS 93 3.327 12.955 2.057 712 HD3 LYS 93 2HD LYS 93 2.080 13.648 3.105 713 HE2 LYS 93 1HE LYS 93 4.996 13.186 3.876 714 HE3 LYS 93 2HE LYS 93 4.406 14.703 3.192 715 HZ1 LYS 93 3HZ LYS 93 4.557 14.671 5.650 716 HZ2 LYS 93 1HZ LYS 93 3.031 15.030 5.125 717 HZ3 LYS 93 2HZ LYS 93 3.406 13.545 5.734 718 H ILE 94 H ILE 94 2.657 8.124 0.997 719 HA ILE 94 HA ILE 94 5.572 8.510 0.837 720 HB ILE 94 HB ILE 94 3.835 6.140 0.052 721 HG12 ILE 94 1HG1 ILE 94 5.708 6.452 2.415 722 HG13 ILE 94 2HG1 ILE 94 4.004 6.809 2.554 723 HG21 ILE 94 1HG2 ILE 94 5.893 6.140 -1.257 724 HG22 ILE 94 2HG2 ILE 94 6.856 6.571 0.162 725 HG23 ILE 94 3HG2 ILE 94 6.102 4.958 0.034 726 HD11 ILE 94 3HD1 ILE 94 4.384 4.588 3.390 727 HD12 ILE 94 1HD1 ILE 94 3.453 4.465 1.888 728 HD13 ILE 94 2HD1 ILE 94 5.193 4.087 1.897 729 H TYR 95 H TYR 95 2.983 7.994 -1.627 730 HA TYR 95 HA TYR 95 4.618 8.172 -3.899 731 HB2 TYR 95 1HB TYR 95 2.591 7.376 -4.368 732 HB3 TYR 95 2HB TYR 95 1.731 8.453 -3.279 733 HD1 TYR 95 2HD TYR 95 1.424 10.928 -3.985 734 HD2 TYR 95 1HD TYR 95 2.387 7.711 -6.689 735 HE1 TYR 95 2HE TYR 95 0.590 12.283 -5.896 736 HE2 TYR 95 1HE TYR 95 1.572 9.065 -8.600 737 HH TYR 95 HH TYR 95 0.660 11.071 -9.276 738 H LYS 96 H LYS 96 3.371 10.807 -1.946 739 HA LYS 96 HA LYS 96 4.169 13.059 -3.498 740 HB2 LYS 96 1HB LYS 96 3.938 12.398 -0.554 741 HB3 LYS 96 2HB LYS 96 4.480 13.992 -1.030 742 HG2 LYS 96 1HG LYS 96 1.810 12.759 -1.852 743 HG3 LYS 96 2HG LYS 96 2.035 13.871 -0.509 744 HD2 LYS 96 1HD LYS 96 2.479 14.509 -3.461 745 HD3 LYS 96 2HD LYS 96 1.103 14.988 -2.469 746 HE2 LYS 96 1HE LYS 96 2.635 16.281 -0.973 747 HE3 LYS 96 2HE LYS 96 3.996 15.859 -2.022 748 HZ1 LYS 96 3HZ LYS 96 3.100 18.037 -2.574 749 HZ2 LYS 96 1HZ LYS 96 2.873 17.028 -3.838 750 HZ3 LYS 96 2HZ LYS 96 1.617 17.421 -2.865 751 H ARG 97 H ARG 97 6.179 10.826 -1.661 752 HA ARG 97 HA ARG 97 8.611 12.520 -2.012 753 HB2 ARG 97 1HB ARG 97 8.357 9.862 -0.560 754 HB3 ARG 97 2HB ARG 97 9.694 11.000 -0.497 755 HG2 ARG 97 1HG ARG 97 6.914 11.373 0.693 756 HG3 ARG 97 2HG ARG 97 8.412 11.055 1.554 757 HD2 ARG 97 1HD ARG 97 9.304 13.254 0.721 758 HD3 ARG 97 2HD ARG 97 7.682 13.597 0.078 759 HE ARG 97 HE ARG 97 7.535 12.790 2.843 760 HH11 ARG 97 1HH1 ARG 97 8.471 15.633 0.945 761 HH12 ARG 97 2HH1 ARG 97 8.192 16.710 2.281 762 HH21 ARG 97 1HH2 ARG 97 7.231 14.182 4.490 763 HH22 ARG 97 2HH2 ARG 97 7.500 15.897 4.283 764 H HIS 98 H HIS 98 7.298 9.297 -2.748 765 HA HIS 98 HA HIS 98 8.984 8.959 -5.167 766 HB2 HIS 98 1HB HIS 98 8.911 6.999 -2.835 767 HB3 HIS 98 2HB HIS 98 9.703 6.723 -4.381 768 HD2 HIS 98 2HD HIS 98 10.277 8.097 -0.957 769 HE1 HIS 98 1HE HIS 98 13.708 9.260 -3.196 770 HE2 HIS 98 2HE HIS 98 12.714 9.094 -0.856 771 H ARG 99 H ARG 99 7.162 8.911 -6.501 772 HA ARG 99 HA ARG 99 4.654 8.127 -6.031 773 HB2 ARG 99 1HB ARG 99 4.218 7.978 -8.312 774 HB3 ARG 99 2HB ARG 99 5.200 9.371 -7.848 775 HG2 ARG 99 1HG ARG 99 7.232 8.211 -8.766 776 HG3 ARG 99 2HG ARG 99 6.188 6.846 -9.268 777 HD2 ARG 99 1HD ARG 99 4.746 8.427 -10.481 778 HD3 ARG 99 2HD ARG 99 5.822 9.757 -10.025 779 HE ARG 99 HE ARG 99 7.428 7.813 -11.301 780 HH11 ARG 99 1HH1 ARG 99 4.791 9.957 -12.287 781 HH12 ARG 99 2HH1 ARG 99 5.325 10.003 -13.940 782 HH21 ARG 99 1HH2 ARG 99 8.063 7.918 -13.449 783 HH22 ARG 99 2HH2 ARG 99 7.153 8.867 -14.584 784 H PHE 100 H PHE 100 7.084 5.837 -7.262 785 HA PHE 100 HA PHE 100 5.483 3.582 -6.166 786 HB2 PHE 100 1HB PHE 100 6.724 3.543 -8.933 787 HB3 PHE 100 2HB PHE 100 5.864 2.243 -8.116 788 HD1 PHE 100 1HD PHE 100 3.390 2.955 -7.243 789 HD2 PHE 100 2HD PHE 100 5.497 4.622 -10.618 790 HE1 PHE 100 1HE PHE 100 1.236 3.610 -8.262 791 HE2 PHE 100 2HE PHE 100 3.332 5.278 -11.638 792 HZ PHE 100 HZ PHE 100 1.204 4.764 -10.466 793 H ASP 101 H ASP 101 8.602 5.032 -6.722 794 HA ASP 101 HA ASP 101 10.189 2.679 -6.725 795 HB2 ASP 101 1HB ASP 101 10.798 4.906 -7.659 796 HB3 ASP 101 2HB ASP 101 10.984 5.525 -6.018 797 H ALA 102 H ALA 102 8.654 4.171 -4.050 798 HA ALA 102 HA ALA 102 10.436 3.220 -1.949 799 HB1 ALA 102 1HB ALA 102 8.903 5.095 -1.570 800 HB2 ALA 102 2HB ALA 102 7.501 4.057 -1.932 801 HB3 ALA 102 3HB ALA 102 8.492 3.756 -0.492 802 H TRP 103 H TRP 103 8.339 1.580 -4.085 803 HA TRP 103 HA TRP 103 8.152 -0.838 -2.301 804 HB2 TRP 103 1HB TRP 103 6.314 0.166 -4.506 805 HB3 TRP 103 2HB TRP 103 6.172 -1.388 -3.702 806 HD1 TRP 103 HD TRP 103 5.472 -1.390 -1.113 807 HE1 TRP 103 1HE TRP 103 4.006 0.188 0.235 808 HE3 TRP 103 3HE TRP 103 5.806 2.728 -4.114 809 HZ2 TRP 103 2HZ TRP 103 2.886 2.873 -0.086 810 HZ3 TRP 103 3HZ TRP 103 4.512 4.776 -3.599 811 HH2 TRP 103 HH TRP 103 3.005 4.839 -1.628 812 H TYR 104 H TYR 104 9.627 -2.127 -2.714 813 HA TYR 104 HA TYR 104 11.000 -2.699 -5.128 814 HB2 TYR 104 1HB TYR 104 11.771 -3.393 -2.944 815 HB3 TYR 104 2HB TYR 104 10.300 -4.310 -2.648 816 HD1 TYR 104 1HD TYR 104 13.404 -4.183 -4.669 817 HD2 TYR 104 2HD TYR 104 9.955 -6.473 -3.540 818 HE1 TYR 104 1HE TYR 104 14.427 -6.205 -5.731 819 HE2 TYR 104 2HE TYR 104 10.956 -8.524 -4.603 820 HH TYR 104 HH TYR 104 14.182 -8.444 -6.190 821 H GLY 105 H GLY 105 7.880 -3.939 -3.867 822 HA2 GLY 105 1HA GLY 105 7.524 -5.976 -5.872 823 HA3 GLY 105 2HA GLY 105 6.269 -5.315 -4.796 824 H TRP 106 H TRP 106 7.301 -2.585 -6.276 825 HA TRP 106 HA TRP 106 5.479 -2.870 -8.604 826 HB2 TRP 106 1HB TRP 106 5.226 -0.847 -7.371 827 HB3 TRP 106 2HB TRP 106 6.945 -0.502 -7.419 828 HD1 TRP 106 HD TRP 106 3.845 -0.470 -9.686 829 HE1 TRP 106 1HE TRP 106 4.326 0.935 -11.779 830 HE3 TRP 106 3HE TRP 106 8.747 0.607 -8.783 831 HZ2 TRP 106 2HZ TRP 106 6.598 2.348 -12.921 832 HZ3 TRP 106 3HZ TRP 106 10.069 1.946 -10.376 833 HH2 TRP 106 HH TRP 106 9.005 2.836 -12.459 834 H LYS 107 H LYS 107 8.849 -1.744 -8.064 835 HA LYS 107 HA LYS 107 9.618 -2.048 -10.797 836 HB2 LYS 107 1HB LYS 107 11.898 -1.553 -9.985 837 HB3 LYS 107 2HB LYS 107 10.682 -0.409 -9.451 838 HG2 LYS 107 1HG LYS 107 10.587 -1.668 -7.240 839 HG3 LYS 107 2HG LYS 107 12.009 -2.573 -7.777 840 HD2 LYS 107 1HD LYS 107 11.753 0.437 -7.356 841 HD3 LYS 107 2HD LYS 107 12.599 -0.698 -6.300 842 HE2 LYS 107 1HE LYS 107 14.222 -1.195 -8.121 843 HE3 LYS 107 2HE LYS 107 13.364 -0.072 -9.189 844 HZ1 LYS 107 3HZ LYS 107 15.241 1.033 -8.179 845 HZ2 LYS 107 1HZ LYS 107 13.864 1.711 -7.598 846 HZ3 LYS 107 2HZ LYS 107 14.728 0.678 -6.666 847 H ASN 108 H ASN 108 9.312 -4.559 -8.513 848 HA ASN 108 HA ASN 108 11.184 -6.398 -9.713 849 HB2 ASN 108 1HB ASN 108 10.230 -6.681 -7.459 850 HB3 ASN 108 2HB ASN 108 8.621 -6.906 -8.149 851 HD21 ASN 108 2HD2 ASN 108 11.683 -8.459 -7.395 852 HD22 ASN 108 1HD2 ASN 108 11.239 -10.030 -8.027 853 H HIS 109 H HIS 109 7.866 -5.410 -10.639 854 HA HIS 109 HA HIS 109 8.020 -7.160 -13.027 855 HB2 HIS 109 1HB HIS 109 6.392 -8.664 -12.441 856 HB3 HIS 109 2HB HIS 109 7.220 -8.459 -10.903 857 HD2 HIS 109 2HD HIS 109 5.802 -5.902 -9.732 858 HE1 HIS 109 1HE HIS 109 2.205 -8.120 -10.180 859 HE2 HIS 109 2HE HIS 109 3.282 -6.131 -9.023 860 H CYS 110 H CYS 110 6.527 -4.313 -11.657 861 HA CYS 110 HA CYS 110 4.159 -4.302 -13.315 862 HB2 CYS 110 1HB CYS 110 5.610 -2.128 -11.761 863 HB3 CYS 110 2HB CYS 110 4.082 -1.876 -12.586 864 H GLN 111 H GLN 111 7.383 -2.940 -13.769 865 HA GLN 111 HA GLN 111 6.788 -1.680 -16.314 866 HB2 GLN 111 1HB GLN 111 9.085 -1.166 -16.431 867 HB3 GLN 111 2HB GLN 111 8.598 -0.946 -14.758 868 HG2 GLN 111 1HG GLN 111 10.193 -3.268 -15.929 869 HG3 GLN 111 2HG GLN 111 10.799 -2.000 -14.871 870 HE21 GLN 111 2HE2 GLN 111 10.328 -5.156 -14.700 871 HE22 GLN 111 1HE2 GLN 111 9.736 -5.259 -13.039 872 H GLY 112 H GLY 112 7.127 -4.961 -15.479 873 HA2 GLY 112 1HA GLY 112 7.993 -5.878 -18.162 874 HA3 GLY 112 2HA GLY 112 7.519 -6.879 -16.763 875 H SER 113 H SER 113 5.052 -5.997 -16.079 876 HA SER 113 HA SER 113 3.278 -5.459 -18.299 877 HB2 SER 113 1HB SER 113 3.804 -7.917 -18.649 878 HB3 SER 113 2HB SER 113 3.047 -8.231 -17.077 879 HG SER 113 HG SER 113 1.589 -8.471 -18.878 880 H LEU 114 H LEU 114 1.164 -4.950 -17.633 881 HA LEU 114 HA LEU 114 0.602 -4.944 -14.705 882 HB2 LEU 114 1HB LEU 114 -0.224 -3.027 -16.927 883 HB3 LEU 114 2HB LEU 114 -0.862 -2.973 -15.290 884 HG LEU 114 HG LEU 114 2.080 -2.597 -15.998 885 HD11 LEU 114 1HD1 LEU 114 0.622 -0.815 -16.879 886 HD12 LEU 114 2HD1 LEU 114 -0.024 -0.539 -15.238 887 HD13 LEU 114 3HD1 LEU 114 1.692 -0.232 -15.589 888 HD21 LEU 114 3HD2 LEU 114 2.169 -1.653 -13.652 889 HD22 LEU 114 1HD2 LEU 114 0.535 -2.284 -13.382 890 HD23 LEU 114 2HD2 LEU 114 1.885 -3.395 -13.710 891 HA PRO 115 HA PRO 115 -3.032 -7.364 -15.675 892 HB2 PRO 115 1HB PRO 115 -4.650 -6.833 -13.569 893 HB3 PRO 115 2HB PRO 115 -3.118 -7.748 -13.383 894 HG2 PRO 115 1HG PRO 115 -3.595 -4.789 -12.883 895 HG3 PRO 115 2HG PRO 115 -2.791 -5.981 -11.806 896 HD2 PRO 115 1HD PRO 115 -1.377 -4.350 -13.477 897 HD3 PRO 115 2HD PRO 115 -0.865 -6.039 -13.152 898 H ASP 116 H ASP 116 -5.220 -7.156 -16.379 899 HA ASP 116 HA ASP 116 -6.053 -4.506 -17.343 900 HB2 ASP 116 1HB ASP 116 -6.334 -6.425 -18.799 901 HB3 ASP 116 2HB ASP 116 -7.271 -7.275 -17.567 902 H ILE 117 H ILE 117 -7.641 -3.322 -16.590 903 HA ILE 117 HA ILE 117 -9.287 -4.158 -14.225 904 HB ILE 117 HB ILE 117 -9.066 -1.904 -13.315 905 HG12 ILE 117 1HG1 ILE 117 -6.993 -1.350 -15.490 906 HG13 ILE 117 2HG1 ILE 117 -8.654 -0.775 -15.558 907 HG21 ILE 117 1HG2 ILE 117 -7.488 -3.706 -12.603 908 HG22 ILE 117 2HG2 ILE 117 -6.295 -3.097 -13.769 909 HG23 ILE 117 3HG2 ILE 117 -6.822 -2.083 -12.413 910 HD11 ILE 117 3HD1 ILE 117 -7.264 0.980 -14.757 911 HD12 ILE 117 1HD1 ILE 117 -8.357 0.451 -13.457 912 HD13 ILE 117 2HD1 ILE 117 -6.639 -0.040 -13.440 913 H SER 118 H SER 118 -9.449 -3.264 -17.415 914 HA SER 118 HA SER 118 -11.403 -1.182 -17.376 915 HB2 SER 118 1HB SER 118 -11.692 -1.627 -19.749 916 HB3 SER 118 2HB SER 118 -9.985 -1.582 -19.301 917 HG SER 118 HG SER 118 -9.896 -3.829 -19.424 918 H SER 119 H SER 119 -11.927 -4.545 -16.768 919 HA SER 119 HA SER 119 -14.826 -4.457 -17.236 920 HB2 SER 119 1HB SER 119 -13.057 -6.473 -15.802 921 HB3 SER 119 2HB SER 119 -14.770 -6.683 -16.186 922 HG SER 119 HG SER 119 -13.398 -7.684 -17.752 923 H CYS 120 H CYS 120 -12.864 -3.133 -14.786 924 HA CYS 120 HA CYS 120 -14.712 -3.689 -12.548 925 HB2 CYS 120 1HB CYS 120 -12.094 -2.169 -12.604 926 HB3 CYS 120 2HB CYS 120 -12.956 -2.739 -11.180 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -8.344 -8.716 10.704 2 H2 GLY 1 2H GLY 1 -6.980 -9.240 9.948 3 H3 GLY 1 3H GLY 1 -6.950 -7.850 10.816 4 HA2 GLY 1 1HA GLY 1 -8.383 -6.738 9.288 5 HA3 GLY 1 2HA GLY 1 -6.968 -7.412 8.460 6 H LYS 2 H LYS 2 -7.790 -7.742 6.490 7 HA LYS 2 HA LYS 2 -9.724 -9.865 5.933 8 HB2 LYS 2 1HB LYS 2 -11.337 -8.459 4.828 9 HB3 LYS 2 2HB LYS 2 -11.148 -7.882 6.480 10 HG2 LYS 2 1HG LYS 2 -9.664 -6.054 5.702 11 HG3 LYS 2 2HG LYS 2 -9.813 -6.618 4.036 12 HD2 LYS 2 1HD LYS 2 -12.138 -5.672 5.753 13 HD3 LYS 2 2HD LYS 2 -11.252 -4.673 4.591 14 HE2 LYS 2 1HE LYS 2 -11.911 -6.194 2.748 15 HE3 LYS 2 2HE LYS 2 -12.809 -7.202 3.893 16 HZ1 LYS 2 3HZ LYS 2 -14.267 -5.630 2.765 17 HZ2 LYS 2 1HZ LYS 2 -14.237 -5.298 4.366 18 HZ3 LYS 2 2HZ LYS 2 -13.409 -4.353 3.321 19 H THR 3 H THR 3 -10.208 -9.719 3.407 20 HA THR 3 HA THR 3 -7.707 -9.113 1.913 21 HB THR 3 HB THR 3 -9.121 -11.776 1.669 22 HG1 THR 3 1HG THR 3 -6.719 -11.918 2.852 23 HG21 THR 3 3HG2 THR 3 -6.950 -12.462 0.667 24 HG22 THR 3 1HG2 THR 3 -7.722 -11.175 -0.262 25 HG23 THR 3 2HG2 THR 3 -6.365 -10.792 0.821 26 H PHE 4 H PHE 4 -7.930 -8.613 -0.190 27 HA PHE 4 HA PHE 4 -10.703 -8.194 -1.240 28 HB2 PHE 4 1HB PHE 4 -8.135 -6.618 -1.721 29 HB3 PHE 4 2HB PHE 4 -9.641 -6.296 -2.521 30 HD1 PHE 4 1HD PHE 4 -8.024 -6.293 0.877 31 HD2 PHE 4 2HD PHE 4 -11.333 -4.921 -1.546 32 HE1 PHE 4 1HE PHE 4 -8.798 -4.844 2.724 33 HE2 PHE 4 2HE PHE 4 -12.107 -3.511 0.319 34 HZ PHE 4 HZ PHE 4 -10.845 -3.458 2.459 35 H THR 5 H THR 5 -11.006 -8.258 -3.488 36 HA THR 5 HA THR 5 -9.102 -9.887 -5.133 37 HB THR 5 HB THR 5 -11.352 -10.894 -4.900 38 HG1 THR 5 1HG THR 5 -11.480 -11.238 -7.114 39 HG21 THR 5 3HG2 THR 5 -13.275 -9.934 -6.039 40 HG22 THR 5 1HG2 THR 5 -12.737 -8.788 -4.805 41 HG23 THR 5 2HG2 THR 5 -12.351 -8.501 -6.519 42 H ARG 6 H ARG 6 -8.982 -9.061 -7.458 43 HA ARG 6 HA ARG 6 -7.959 -6.427 -7.330 44 HB2 ARG 6 1HB ARG 6 -7.321 -8.218 -8.953 45 HB3 ARG 6 2HB ARG 6 -8.795 -7.883 -9.868 46 HG2 ARG 6 1HG ARG 6 -8.052 -5.546 -10.240 47 HG3 ARG 6 2HG ARG 6 -6.616 -5.822 -9.242 48 HD2 ARG 6 1HD ARG 6 -7.276 -7.249 -11.848 49 HD3 ARG 6 2HD ARG 6 -6.133 -5.913 -11.670 50 HE ARG 6 HE ARG 6 -5.001 -7.528 -9.922 51 HH11 ARG 6 1HH1 ARG 6 -6.507 -8.742 -12.900 52 HH12 ARG 6 2HH1 ARG 6 -5.429 -10.104 -12.970 53 HH21 ARG 6 1HH2 ARG 6 -3.563 -9.126 -10.185 54 HH22 ARG 6 2HH2 ARG 6 -3.785 -10.344 -11.427 55 H CYS 7 H CYS 7 -11.093 -7.502 -8.717 56 HA CYS 7 HA CYS 7 -12.042 -4.918 -9.484 57 HB2 CYS 7 1HB CYS 7 -13.642 -7.346 -8.597 58 HB3 CYS 7 2HB CYS 7 -14.252 -5.972 -9.516 59 H GLY 8 H GLY 8 -11.983 -6.425 -6.304 60 HA2 GLY 8 1HA GLY 8 -13.739 -4.454 -5.015 61 HA3 GLY 8 2HA GLY 8 -12.708 -5.675 -4.222 62 H LEU 9 H LEU 9 -10.183 -5.098 -5.092 63 HA LEU 9 HA LEU 9 -9.424 -2.831 -3.579 64 HB2 LEU 9 1HB LEU 9 -8.027 -4.850 -4.022 65 HB3 LEU 9 2HB LEU 9 -7.891 -4.379 -5.720 66 HG LEU 9 HG LEU 9 -6.770 -2.269 -5.025 67 HD11 LEU 9 1HD1 LEU 9 -7.643 -1.909 -2.793 68 HD12 LEU 9 2HD1 LEU 9 -7.005 -3.468 -2.242 69 HD13 LEU 9 3HD1 LEU 9 -5.897 -2.129 -2.653 70 HD21 LEU 9 3HD2 LEU 9 -4.633 -3.211 -4.529 71 HD22 LEU 9 1HD2 LEU 9 -5.361 -4.677 -3.838 72 HD23 LEU 9 2HD2 LEU 9 -5.476 -4.351 -5.587 73 H VAL 10 H VAL 10 -9.602 -3.159 -7.171 74 HA VAL 10 HA VAL 10 -8.754 -0.565 -7.880 75 HB VAL 10 HB VAL 10 -10.865 -2.367 -9.125 76 HG11 VAL 10 1HG1 VAL 10 -11.561 -0.229 -9.911 77 HG12 VAL 10 2HG1 VAL 10 -9.902 0.334 -10.116 78 HG13 VAL 10 3HG1 VAL 10 -10.563 -0.892 -11.207 79 HG21 VAL 10 3HG2 VAL 10 -9.153 -2.752 -10.837 80 HG22 VAL 10 1HG2 VAL 10 -8.056 -1.607 -10.043 81 HG23 VAL 10 2HG2 VAL 10 -8.488 -3.126 -9.248 82 H HIS 11 H HIS 11 -12.010 -1.604 -6.863 83 HA HIS 11 HA HIS 11 -13.254 1.014 -7.022 84 HB2 HIS 11 1HB HIS 11 -14.005 -1.585 -5.637 85 HB3 HIS 11 2HB HIS 11 -14.978 -0.135 -5.531 86 HD2 HIS 11 2HD HIS 11 -13.520 -0.586 -9.016 87 HE1 HIS 11 1HE HIS 11 -17.523 -2.024 -9.188 88 HE2 HIS 11 2HE HIS 11 -15.500 -1.384 -10.577 89 H GLU 12 H GLU 12 -11.874 -0.834 -4.284 90 HA GLU 12 HA GLU 12 -12.543 0.969 -2.207 91 HB2 GLU 12 1HB GLU 12 -11.484 -1.490 -2.284 92 HB3 GLU 12 2HB GLU 12 -9.972 -0.619 -2.161 93 HG2 GLU 12 1HG GLU 12 -10.775 -1.370 0.006 94 HG3 GLU 12 2HG GLU 12 -10.738 0.401 -0.057 95 H LEU 13 H LEU 13 -9.632 0.863 -4.283 96 HA LEU 13 HA LEU 13 -8.381 3.189 -3.083 97 HB2 LEU 13 1HB LEU 13 -7.989 1.846 -5.770 98 HB3 LEU 13 2HB LEU 13 -6.871 2.994 -5.046 99 HG LEU 13 HG LEU 13 -7.557 0.294 -3.867 100 HD11 LEU 13 1HD1 LEU 13 -6.361 0.077 -5.965 101 HD12 LEU 13 2HD1 LEU 13 -5.145 1.269 -5.430 102 HD13 LEU 13 3HD1 LEU 13 -5.263 -0.313 -4.622 103 HD21 LEU 13 3HD2 LEU 13 -5.658 0.628 -2.386 104 HD22 LEU 13 1HD2 LEU 13 -5.401 2.262 -3.051 105 HD23 LEU 13 2HD2 LEU 13 -6.869 1.883 -2.121 106 H ARG 14 H ARG 14 -10.382 2.752 -6.023 107 HA ARG 14 HA ARG 14 -10.358 5.455 -6.936 108 HB2 ARG 14 1HB ARG 14 -12.450 3.271 -7.086 109 HB3 ARG 14 2HB ARG 14 -12.774 4.880 -7.722 110 HG2 ARG 14 1HG ARG 14 -11.027 4.752 -9.339 111 HG3 ARG 14 2HG ARG 14 -10.364 3.274 -8.619 112 HD2 ARG 14 1HD ARG 14 -12.376 2.025 -9.168 113 HD3 ARG 14 2HD ARG 14 -13.157 3.491 -9.812 114 HE ARG 14 HE ARG 14 -10.747 3.120 -11.221 115 HH11 ARG 14 1HH1 ARG 14 -13.882 1.486 -10.919 116 HH12 ARG 14 2HH1 ARG 14 -13.686 0.638 -12.437 117 HH21 ARG 14 1HH2 ARG 14 -10.637 2.016 -13.240 118 HH22 ARG 14 2HH2 ARG 14 -11.941 0.947 -13.690 119 H LYS 15 H LYS 15 -12.418 3.951 -4.409 120 HA LYS 15 HA LYS 15 -13.859 6.389 -3.747 121 HB2 LYS 15 1HB LYS 15 -13.451 3.722 -2.339 122 HB3 LYS 15 2HB LYS 15 -14.469 5.012 -1.692 123 HG2 LYS 15 1HG LYS 15 -15.939 4.948 -3.613 124 HG3 LYS 15 2HG LYS 15 -14.900 3.789 -4.454 125 HD2 LYS 15 1HD LYS 15 -15.273 2.131 -2.642 126 HD3 LYS 15 2HD LYS 15 -16.374 3.251 -1.833 127 HE2 LYS 15 1HE LYS 15 -16.747 2.154 -4.664 128 HE3 LYS 15 2HE LYS 15 -17.487 1.457 -3.221 129 HZ1 LYS 15 3HZ LYS 15 -19.024 2.939 -4.330 130 HZ2 LYS 15 1HZ LYS 15 -18.652 3.563 -2.867 131 HZ3 LYS 15 2HZ LYS 15 -17.996 4.202 -4.225 132 H HIS 16 H HIS 16 -10.783 5.063 -2.676 133 HA HIS 16 HA HIS 16 -10.536 6.981 -0.461 134 HB2 HIS 16 1HB HIS 16 -8.785 4.700 -1.465 135 HB3 HIS 16 2HB HIS 16 -8.377 5.737 -0.100 136 HD2 HIS 16 2HD HIS 16 -8.471 3.060 0.915 137 HE1 HIS 16 1HE HIS 16 -12.561 3.409 1.962 138 HE2 HIS 16 2HE HIS 16 -10.451 2.115 2.404 139 H GLY 17 H GLY 17 -10.072 7.425 -3.683 140 HA2 GLY 17 1HA GLY 17 -9.411 9.489 -4.584 141 HA3 GLY 17 2HA GLY 17 -8.425 9.831 -3.144 142 H PHE 18 H PHE 18 -8.187 6.843 -5.092 143 HA PHE 18 HA PHE 18 -5.406 7.546 -5.846 144 HB2 PHE 18 1HB PHE 18 -7.035 5.020 -5.950 145 HB3 PHE 18 2HB PHE 18 -5.492 5.169 -6.767 146 HD1 PHE 18 2HD PHE 18 -6.956 5.808 -3.324 147 HD2 PHE 18 1HD PHE 18 -3.570 4.524 -5.654 148 HE1 PHE 18 2HE PHE 18 -5.705 5.399 -1.267 149 HE2 PHE 18 1HE PHE 18 -2.339 3.990 -3.563 150 HZ PHE 18 HZ PHE 18 -3.400 4.415 -1.367 151 H GLU 19 H GLU 19 -4.651 7.624 -7.869 152 HA GLU 19 HA GLU 19 -6.294 8.936 -9.798 153 HB2 GLU 19 1HB GLU 19 -3.467 7.832 -9.979 154 HB3 GLU 19 2HB GLU 19 -4.207 8.945 -11.112 155 HG2 GLU 19 1HG GLU 19 -2.731 10.171 -9.746 156 HG3 GLU 19 2HG GLU 19 -4.378 10.652 -9.344 157 H GLU 20 H GLU 20 -7.556 8.031 -11.349 158 HA GLU 20 HA GLU 20 -7.807 5.252 -11.672 159 HB2 GLU 20 1HB GLU 20 -9.388 5.726 -13.432 160 HB3 GLU 20 2HB GLU 20 -9.616 6.829 -12.078 161 HG2 GLU 20 1HG GLU 20 -8.376 8.606 -13.351 162 HG3 GLU 20 2HG GLU 20 -8.222 7.494 -14.714 163 H ASN 21 H ASN 21 -5.674 7.426 -13.450 164 HA ASN 21 HA ASN 21 -5.050 5.443 -15.513 165 HB2 ASN 21 1HB ASN 21 -3.558 7.063 -16.389 166 HB3 ASN 21 2HB ASN 21 -5.043 7.900 -15.957 167 HD21 ASN 21 2HD2 ASN 21 -1.787 8.351 -15.957 168 HD22 ASN 21 1HD2 ASN 21 -1.637 9.367 -14.535 169 H LEU 22 H LEU 22 -3.949 6.051 -12.267 170 HA LEU 22 HA LEU 22 -1.440 4.477 -12.685 171 HB2 LEU 22 1HB LEU 22 -2.487 5.899 -10.219 172 HB3 LEU 22 2HB LEU 22 -0.933 5.122 -10.383 173 HG LEU 22 HG LEU 22 -1.857 7.657 -11.786 174 HD11 LEU 22 1HD1 LEU 22 -1.180 7.801 -9.375 175 HD12 LEU 22 2HD1 LEU 22 0.403 7.133 -9.803 176 HD13 LEU 22 3HD1 LEU 22 -0.106 8.710 -10.456 177 HD21 LEU 22 3HD2 LEU 22 0.444 7.810 -12.723 178 HD22 LEU 22 1HD2 LEU 22 0.777 6.161 -12.158 179 HD23 LEU 22 2HD2 LEU 22 -0.461 6.452 -13.398 180 H MET 23 H MET 23 -4.687 3.988 -11.706 181 HA MET 23 HA MET 23 -4.671 2.236 -9.641 182 HB2 MET 23 1HB MET 23 -6.590 3.173 -11.052 183 HB3 MET 23 2HB MET 23 -6.382 1.793 -12.102 184 HG2 MET 23 1HG MET 23 -8.184 1.433 -10.459 185 HG3 MET 23 2HG MET 23 -6.893 0.260 -10.235 186 HE1 MET 23 3HE MET 23 -7.908 3.860 -7.573 187 HE2 MET 23 1HE MET 23 -6.653 4.110 -8.812 188 HE3 MET 23 2HE MET 23 -8.295 3.635 -9.285 189 H ARG 24 H ARG 24 -3.989 1.182 -13.017 190 HA ARG 24 HA ARG 24 -3.597 -1.563 -12.558 191 HB2 ARG 24 1HB ARG 24 -2.003 0.225 -14.459 192 HB3 ARG 24 2HB ARG 24 -2.152 -1.533 -14.536 193 HG2 ARG 24 1HG ARG 24 -4.620 -1.264 -14.902 194 HG3 ARG 24 2HG ARG 24 -4.377 0.495 -14.946 195 HD2 ARG 24 1HD ARG 24 -4.467 -0.233 -17.204 196 HD3 ARG 24 2HD ARG 24 -2.777 0.176 -16.855 197 HE ARG 24 HE ARG 24 -3.372 -2.631 -16.388 198 HH11 ARG 24 1HH1 ARG 24 -2.676 -0.409 -19.057 199 HH12 ARG 24 2HH1 ARG 24 -2.097 -1.688 -20.081 200 HH21 ARG 24 1HH2 ARG 24 -2.577 -4.214 -17.737 201 HH22 ARG 24 2HH2 ARG 24 -2.056 -3.815 -19.345 202 H ASN 25 H ASN 25 -1.127 1.053 -12.290 203 HA ASN 25 HA ASN 25 1.033 -0.687 -11.448 204 HB2 ASN 25 1HB ASN 25 0.592 2.319 -11.236 205 HB3 ASN 25 2HB ASN 25 2.016 1.509 -10.596 206 HD21 ASN 25 2HD2 ASN 25 0.505 2.674 -13.537 207 HD22 ASN 25 1HD2 ASN 25 1.824 2.191 -14.583 208 H TRP 26 H TRP 26 -1.402 1.277 -9.643 209 HA TRP 26 HA TRP 26 -0.347 0.715 -7.060 210 HB2 TRP 26 1HB TRP 26 -3.064 1.597 -8.075 211 HB3 TRP 26 2HB TRP 26 -2.777 1.275 -6.374 212 HD1 TRP 26 HD TRP 26 -2.768 4.091 -8.612 213 HE1 TRP 26 1HE TRP 26 -1.588 6.112 -7.552 214 HE3 TRP 26 3HE TRP 26 -0.232 1.663 -4.894 215 HZ2 TRP 26 2HZ TRP 26 0.192 6.606 -5.322 216 HZ3 TRP 26 3HZ TRP 26 1.161 2.921 -3.290 217 HH2 TRP 26 HH TRP 26 1.376 5.397 -3.480 218 H VAL 27 H VAL 27 -3.065 -0.982 -8.779 219 HA VAL 27 HA VAL 27 -3.289 -2.886 -6.627 220 HB VAL 27 HB VAL 27 -4.709 -4.238 -7.912 221 HG11 VAL 27 1HG1 VAL 27 -5.517 -1.978 -7.105 222 HG12 VAL 27 2HG1 VAL 27 -5.359 -1.403 -8.778 223 HG13 VAL 27 3HG1 VAL 27 -6.461 -2.730 -8.396 224 HG21 VAL 27 3HG2 VAL 27 -5.206 -3.858 -10.316 225 HG22 VAL 27 1HG2 VAL 27 -3.830 -2.740 -10.402 226 HG23 VAL 27 2HG2 VAL 27 -3.569 -4.456 -10.020 227 H CYS 28 H CYS 28 -1.260 -2.924 -9.565 228 HA CYS 28 HA CYS 28 -0.348 -5.634 -9.219 229 HB2 CYS 28 1HB CYS 28 -0.371 -4.175 -11.271 230 HB3 CYS 28 2HB CYS 28 1.047 -3.344 -10.654 231 H LEU 29 H LEU 29 0.930 -2.524 -8.050 232 HA LEU 29 HA LEU 29 3.241 -3.473 -6.647 233 HB2 LEU 29 1HB LEU 29 2.793 -1.159 -7.223 234 HB3 LEU 29 2HB LEU 29 1.340 -1.112 -6.257 235 HG LEU 29 HG LEU 29 4.136 -1.398 -5.091 236 HD11 LEU 29 1HD1 LEU 29 3.789 0.743 -6.329 237 HD12 LEU 29 2HD1 LEU 29 2.308 1.039 -5.399 238 HD13 LEU 29 3HD1 LEU 29 3.885 1.017 -4.593 239 HD21 LEU 29 3HD2 LEU 29 2.986 -0.512 -3.003 240 HD22 LEU 29 1HD2 LEU 29 1.430 -0.792 -3.795 241 HD23 LEU 29 2HD2 LEU 29 2.520 -2.150 -3.419 242 H VAL 30 H VAL 30 -0.076 -2.806 -5.469 243 HA VAL 30 HA VAL 30 0.319 -3.760 -2.847 244 HB VAL 30 HB VAL 30 -2.154 -3.425 -4.557 245 HG11 VAL 30 1HG1 VAL 30 -2.828 -5.177 -3.027 246 HG12 VAL 30 2HG1 VAL 30 -2.064 -4.331 -1.667 247 HG13 VAL 30 3HG1 VAL 30 -3.504 -3.653 -2.462 248 HG21 VAL 30 3HG2 VAL 30 -2.548 -1.505 -3.072 249 HG22 VAL 30 1HG2 VAL 30 -1.138 -1.945 -2.082 250 HG23 VAL 30 2HG2 VAL 30 -0.918 -1.387 -3.747 251 H GLU 31 H GLU 31 -0.917 -5.609 -5.692 252 HA GLU 31 HA GLU 31 -1.409 -8.032 -4.287 253 HB2 GLU 31 1HB GLU 31 -0.735 -7.382 -7.185 254 HB3 GLU 31 2HB GLU 31 -0.987 -9.051 -6.653 255 HG2 GLU 31 1HG GLU 31 -3.213 -8.619 -5.923 256 HG3 GLU 31 2HG GLU 31 -3.057 -6.880 -6.154 257 H HIS 32 H HIS 32 1.712 -6.901 -5.810 258 HA HIS 32 HA HIS 32 3.023 -9.390 -5.085 259 HB2 HIS 32 1HB HIS 32 3.568 -7.784 -6.993 260 HB3 HIS 32 2HB HIS 32 4.375 -6.785 -5.781 261 HD2 HIS 32 2HD HIS 32 4.566 -10.099 -7.657 262 HE1 HIS 32 1HE HIS 32 8.255 -9.775 -5.551 263 HE2 HIS 32 2HE HIS 32 6.959 -11.143 -7.275 264 H GLU 33 H GLU 33 2.487 -6.359 -3.381 265 HA GLU 33 HA GLU 33 4.560 -6.869 -1.368 266 HB2 GLU 33 1HB GLU 33 2.365 -4.790 -1.623 267 HB3 GLU 33 2HB GLU 33 3.384 -4.895 -0.203 268 HG2 GLU 33 1HG GLU 33 4.416 -4.434 -3.023 269 HG3 GLU 33 2HG GLU 33 4.106 -3.178 -1.835 270 H SER 34 H SER 34 0.919 -6.814 -1.201 271 HA SER 34 HA SER 34 1.105 -8.417 1.340 272 HB2 SER 34 1HB SER 34 -0.915 -7.288 1.997 273 HB3 SER 34 2HB SER 34 0.301 -6.082 1.560 274 HG SER 34 HG SER 34 -0.971 -5.406 0.033 275 H SER 35 H SER 35 0.205 -8.831 -1.906 276 HA SER 35 HA SER 35 -1.273 -10.085 -3.062 277 HB2 SER 35 1HB SER 35 -1.937 -11.783 -0.698 278 HB3 SER 35 2HB SER 35 -1.835 -12.221 -2.395 279 HG SER 35 HG SER 35 0.483 -11.973 -2.216 280 H ARG 36 H ARG 36 -2.211 -7.806 -1.326 281 HA ARG 36 HA ARG 36 -4.056 -6.631 -0.950 282 HB2 ARG 36 1HB ARG 36 -5.979 -8.642 -2.053 283 HB3 ARG 36 2HB ARG 36 -6.033 -6.875 -2.031 284 HG2 ARG 36 1HG ARG 36 -4.223 -6.910 -3.822 285 HG3 ARG 36 2HG ARG 36 -4.426 -8.658 -3.876 286 HD2 ARG 36 1HD ARG 36 -7.058 -7.925 -4.037 287 HD3 ARG 36 2HD ARG 36 -6.331 -6.510 -4.759 288 HE ARG 36 HE ARG 36 -5.692 -7.750 -6.601 289 HH11 ARG 36 1HH1 ARG 36 -6.819 -10.090 -4.161 290 HH12 ARG 36 2HH1 ARG 36 -6.616 -11.418 -5.269 291 HH21 ARG 36 1HH2 ARG 36 -5.461 -9.408 -7.880 292 HH22 ARG 36 2HH2 ARG 36 -5.927 -11.041 -7.418 293 H ASP 37 H ASP 37 -3.069 -8.387 1.020 294 HA ASP 37 HA ASP 37 -5.519 -9.029 2.658 295 HB2 ASP 37 1HB ASP 37 -2.734 -10.190 3.018 296 HB3 ASP 37 2HB ASP 37 -4.142 -10.444 4.049 297 H THR 38 H THR 38 -5.866 -7.450 4.202 298 HA THR 38 HA THR 38 -3.828 -5.475 4.837 299 HB THR 38 HB THR 38 -5.326 -4.625 6.551 300 HG1 THR 38 1HG THR 38 -7.262 -5.556 6.928 301 HG21 THR 38 3HG2 THR 38 -7.306 -4.067 5.175 302 HG22 THR 38 1HG2 THR 38 -5.784 -3.852 4.307 303 HG23 THR 38 2HG2 THR 38 -6.815 -5.272 3.969 304 H SER 39 H SER 39 -4.769 -8.503 6.291 305 HA SER 39 HA SER 39 -3.513 -8.149 8.830 306 HB2 SER 39 1HB SER 39 -4.080 -10.722 7.317 307 HB3 SER 39 2HB SER 39 -3.868 -10.547 9.064 308 HG SER 39 HG SER 39 -6.095 -10.680 8.245 309 H LYS 40 H LYS 40 -1.921 -8.467 5.831 310 HA LYS 40 HA LYS 40 0.065 -10.409 6.613 311 HB2 LYS 40 1HB LYS 40 -0.845 -9.988 4.308 312 HB3 LYS 40 2HB LYS 40 0.107 -8.515 4.227 313 HG2 LYS 40 1HG LYS 40 2.152 -9.654 4.136 314 HG3 LYS 40 2HG LYS 40 1.530 -11.084 4.939 315 HD2 LYS 40 1HD LYS 40 0.846 -10.302 2.119 316 HD3 LYS 40 2HD LYS 40 2.056 -11.490 2.559 317 HE2 LYS 40 1HE LYS 40 0.481 -13.072 3.251 318 HE3 LYS 40 2HE LYS 40 -0.749 -11.859 3.612 319 HZ1 LYS 40 3HZ LYS 40 -1.313 -13.048 1.597 320 HZ2 LYS 40 1HZ LYS 40 -1.047 -11.476 1.260 321 HZ3 LYS 40 2HZ LYS 40 0.080 -12.588 0.857 322 H THR 41 H THR 41 2.139 -10.215 7.225 323 HA THR 41 HA THR 41 3.483 -7.588 7.369 324 HB THR 41 HB THR 41 4.514 -8.242 9.561 325 HG1 THR 41 1HG THR 41 2.282 -9.974 9.800 326 HG21 THR 41 3HG2 THR 41 2.782 -7.474 11.025 327 HG22 THR 41 1HG2 THR 41 2.798 -6.516 9.553 328 HG23 THR 41 2HG2 THR 41 1.531 -7.746 9.774 329 H ASN 42 H ASN 42 5.704 -7.656 7.526 330 HA ASN 42 HA ASN 42 7.106 -10.211 7.045 331 HB2 ASN 42 1HB ASN 42 6.997 -7.867 5.100 332 HB3 ASN 42 2HB ASN 42 8.346 -8.988 5.125 333 HD21 ASN 42 2HD2 ASN 42 5.063 -8.535 4.061 334 HD22 ASN 42 1HD2 ASN 42 4.928 -10.103 3.268 335 H THR 43 H THR 43 8.933 -10.266 8.226 336 HA THR 43 HA THR 43 9.919 -7.808 9.563 337 HB THR 43 HB THR 43 10.745 -10.694 10.025 338 HG1 THR 43 1HG THR 43 9.202 -10.667 11.625 339 HG21 THR 43 3HG2 THR 43 11.368 -9.789 12.281 340 HG22 THR 43 1HG2 THR 43 12.325 -9.057 10.991 341 HG23 THR 43 2HG2 THR 43 10.981 -8.149 11.716 342 H ASN 44 H ASN 44 11.884 -6.950 9.289 343 HA ASN 44 HA ASN 44 13.445 -7.779 6.900 344 HB2 ASN 44 1HB ASN 44 13.439 -5.193 8.515 345 HB3 ASN 44 2HB ASN 44 14.370 -5.487 7.051 346 HD21 ASN 44 2HD2 ASN 44 11.139 -4.989 8.337 347 HD22 ASN 44 1HD2 ASN 44 10.382 -4.581 6.784 348 H ARG 45 H ARG 45 15.747 -7.720 6.948 349 HA ARG 45 HA ARG 45 16.991 -9.101 9.121 350 HB2 ARG 45 1HB ARG 45 18.321 -7.537 6.866 351 HB3 ARG 45 2HB ARG 45 19.093 -8.738 7.911 352 HG2 ARG 45 1HG ARG 45 17.444 -10.458 7.055 353 HG3 ARG 45 2HG ARG 45 16.824 -9.231 5.942 354 HD2 ARG 45 1HD ARG 45 18.347 -10.602 4.713 355 HD3 ARG 45 2HD ARG 45 19.106 -9.018 4.942 356 HE ARG 45 HE ARG 45 19.848 -10.867 7.041 357 HH11 ARG 45 1HH1 ARG 45 20.610 -10.163 3.658 358 HH12 ARG 45 2HH1 ARG 45 22.202 -10.852 3.780 359 HH21 ARG 45 1HH2 ARG 45 21.915 -11.729 7.132 360 HH22 ARG 45 2HH2 ARG 45 22.924 -11.730 5.719 361 H ASN 46 H ASN 46 16.605 -5.706 8.535 362 HA ASN 46 HA ASN 46 18.550 -4.839 10.536 363 HB2 ASN 46 1HB ASN 46 17.934 -3.691 8.318 364 HB3 ASN 46 2HB ASN 46 16.451 -3.165 9.111 365 HD21 ASN 46 2HD2 ASN 46 17.344 -0.982 8.541 366 HD22 ASN 46 1HD2 ASN 46 18.553 -0.271 9.595 367 H GLY 47 H GLY 47 15.629 -6.281 11.015 368 HA2 GLY 47 1HA GLY 47 14.630 -6.680 13.049 369 HA3 GLY 47 2HA GLY 47 15.453 -5.274 13.758 370 H SER 48 H SER 48 13.917 -4.116 11.036 371 HA SER 48 HA SER 48 11.508 -3.193 12.508 372 HB2 SER 48 1HB SER 48 11.210 -1.760 10.518 373 HB3 SER 48 2HB SER 48 12.755 -1.509 11.328 374 HG SER 48 HG SER 48 13.213 -1.656 9.153 375 H LYS 49 H LYS 49 9.419 -3.254 11.342 376 HA LYS 49 HA LYS 49 9.078 -5.667 9.616 377 HB2 LYS 49 1HB LYS 49 8.550 -6.032 12.098 378 HB3 LYS 49 2HB LYS 49 7.171 -4.964 11.863 379 HG2 LYS 49 1HG LYS 49 6.317 -6.493 10.073 380 HG3 LYS 49 2HG LYS 49 7.671 -7.578 10.401 381 HD2 LYS 49 1HD LYS 49 5.434 -6.828 12.324 382 HD3 LYS 49 2HD LYS 49 5.633 -8.367 11.475 383 HE2 LYS 49 1HE LYS 49 7.819 -8.700 12.652 384 HE3 LYS 49 2HE LYS 49 7.504 -7.231 13.590 385 HZ1 LYS 49 3HZ LYS 49 6.816 -9.215 14.796 386 HZ2 LYS 49 1HZ LYS 49 5.502 -8.303 14.465 387 HZ3 LYS 49 2HZ LYS 49 5.800 -9.661 13.600 388 H ASP 50 H ASP 50 7.436 -5.648 8.197 389 HA ASP 50 HA ASP 50 6.380 -3.005 7.356 390 HB2 ASP 50 1HB ASP 50 6.440 -5.660 5.873 391 HB3 ASP 50 2HB ASP 50 6.061 -4.079 5.214 392 H TYR 51 H TYR 51 4.181 -2.657 7.188 393 HA TYR 51 HA TYR 51 2.277 -4.802 8.074 394 HB2 TYR 51 1HB TYR 51 2.552 -1.913 8.986 395 HB3 TYR 51 2HB TYR 51 1.242 -2.986 9.452 396 HD1 TYR 51 2HD TYR 51 4.862 -2.272 9.807 397 HD2 TYR 51 1HD TYR 51 1.522 -4.582 11.231 398 HE1 TYR 51 2HE TYR 51 6.153 -2.882 11.826 399 HE2 TYR 51 1HE TYR 51 2.797 -5.183 13.278 400 HH TYR 51 HH TYR 51 4.760 -4.908 14.456 401 H GLY 52 H GLY 52 0.171 -4.730 7.347 402 HA2 GLY 52 1HA GLY 52 -1.768 -3.926 6.353 403 HA3 GLY 52 2HA GLY 52 -0.983 -2.351 6.154 404 H LEU 53 H LEU 53 -2.502 -2.706 4.203 405 HA LEU 53 HA LEU 53 -1.817 -4.637 2.299 406 HB2 LEU 53 1HB LEU 53 -3.918 -2.845 2.651 407 HB3 LEU 53 2HB LEU 53 -3.071 -2.064 1.326 408 HG LEU 53 HG LEU 53 -3.101 -4.472 0.231 409 HD11 LEU 53 1HD1 LEU 53 -3.855 -5.703 2.157 410 HD12 LEU 53 2HD1 LEU 53 -5.301 -4.676 2.306 411 HD13 LEU 53 3HD1 LEU 53 -5.144 -5.742 0.933 412 HD21 LEU 53 3HD2 LEU 53 -5.239 -4.140 -0.773 413 HD22 LEU 53 1HD2 LEU 53 -5.714 -2.969 0.484 414 HD23 LEU 53 2HD2 LEU 53 -4.407 -2.566 -0.649 415 H PHE 54 H PHE 54 -0.297 -1.566 2.686 416 HA PHE 54 HA PHE 54 1.161 -1.886 0.103 417 HB2 PHE 54 1HB PHE 54 0.977 0.478 1.999 418 HB3 PHE 54 2HB PHE 54 1.841 0.455 0.475 419 HD1 PHE 54 2HD PHE 54 -1.549 0.293 2.004 420 HD2 PHE 54 1HD PHE 54 0.711 0.811 -1.627 421 HE1 PHE 54 2HE PHE 54 -3.602 1.015 0.844 422 HE2 PHE 54 1HE PHE 54 -1.352 1.565 -2.785 423 HZ PHE 54 HZ PHE 54 -3.509 1.665 -1.563 424 H GLN 55 H GLN 55 1.560 -3.149 3.077 425 HA GLN 55 HA GLN 55 3.251 -3.732 4.436 426 HB2 GLN 55 1HB GLN 55 4.600 -3.912 1.716 427 HB3 GLN 55 2HB GLN 55 5.333 -4.546 3.182 428 HG2 GLN 55 1HG GLN 55 2.683 -5.449 2.002 429 HG3 GLN 55 2HG GLN 55 4.227 -6.303 1.947 430 HE21 GLN 55 2HE2 GLN 55 1.384 -5.635 3.926 431 HE22 GLN 55 1HE2 GLN 55 1.911 -6.570 5.297 432 H ILE 56 H ILE 56 2.997 -1.421 5.164 433 HA ILE 56 HA ILE 56 5.187 0.440 4.522 434 HB ILE 56 HB ILE 56 2.897 0.846 6.506 435 HG12 ILE 56 1HG1 ILE 56 3.029 1.408 3.489 436 HG13 ILE 56 2HG1 ILE 56 1.938 0.235 4.259 437 HG21 ILE 56 1HG2 ILE 56 4.789 2.400 6.632 438 HG22 ILE 56 2HG2 ILE 56 4.576 2.803 4.911 439 HG23 ILE 56 3HG2 ILE 56 3.316 3.198 6.106 440 HD11 ILE 56 3HD1 ILE 56 0.579 2.060 3.719 441 HD12 ILE 56 1HD1 ILE 56 0.863 2.220 5.465 442 HD13 ILE 56 2HD1 ILE 56 1.757 3.235 4.299 443 H ASN 57 H ASN 57 6.883 0.966 5.886 444 HA ASN 57 HA ASN 57 7.330 -1.009 8.017 445 HB2 ASN 57 1HB ASN 57 8.888 -0.738 6.127 446 HB3 ASN 57 2HB ASN 57 9.252 0.903 6.684 447 HD21 ASN 57 2HD2 ASN 57 9.869 -2.501 7.161 448 HD22 ASN 57 1HD2 ASN 57 11.083 -2.275 8.427 449 H ASP 58 H ASP 58 7.686 -0.640 10.075 450 HA ASP 58 HA ASP 58 6.702 1.655 11.346 451 HB2 ASP 58 1HB ASP 58 7.146 0.628 13.363 452 HB3 ASP 58 2HB ASP 58 6.775 -0.675 12.244 453 H ARG 59 H ARG 59 9.836 1.331 10.077 454 HA ARG 59 HA ARG 59 11.028 3.369 11.878 455 HB2 ARG 59 1HB ARG 59 12.046 1.106 11.296 456 HB3 ARG 59 2HB ARG 59 12.405 1.755 9.703 457 HG2 ARG 59 1HG ARG 59 13.864 3.449 10.622 458 HG3 ARG 59 2HG ARG 59 13.331 3.101 12.273 459 HD2 ARG 59 1HD ARG 59 14.808 1.137 10.474 460 HD3 ARG 59 2HD ARG 59 15.590 2.173 11.681 461 HE ARG 59 HE ARG 59 13.626 0.846 13.111 462 HH11 ARG 59 1HH1 ARG 59 16.450 -0.212 11.254 463 HH12 ARG 59 2HH1 ARG 59 16.582 -1.701 12.156 464 HH21 ARG 59 1HH2 ARG 59 13.915 -1.084 14.254 465 HH22 ARG 59 2HH2 ARG 59 15.223 -2.150 13.823 466 H TYR 60 H TYR 60 9.295 3.351 9.042 467 HA TYR 60 HA TYR 60 10.717 5.740 7.879 468 HB2 TYR 60 1HB TYR 60 9.384 3.358 6.555 469 HB3 TYR 60 2HB TYR 60 9.743 4.854 5.713 470 HD1 TYR 60 2HD TYR 60 11.438 2.144 7.670 471 HD2 TYR 60 1HD TYR 60 11.785 5.234 4.698 472 HE1 TYR 60 2HE TYR 60 13.746 1.374 7.162 473 HE2 TYR 60 1HE TYR 60 14.106 4.480 4.182 474 HH TYR 60 HH TYR 60 15.635 1.710 5.884 475 H TRP 61 H TRP 61 7.425 4.266 8.163 476 HA TRP 61 HA TRP 61 6.269 7.001 7.668 477 HB2 TRP 61 1HB TRP 61 5.514 4.451 6.287 478 HB3 TRP 61 2HB TRP 61 4.780 6.005 5.985 479 HD1 TRP 61 HD TRP 61 7.197 3.665 4.661 480 HE1 TRP 61 1HE TRP 61 8.676 4.689 2.843 481 HE3 TRP 61 3HE TRP 61 6.138 8.617 5.455 482 HZ2 TRP 61 2HZ TRP 61 9.248 7.317 1.786 483 HZ3 TRP 61 3HZ TRP 61 7.075 10.350 3.951 484 HH2 TRP 61 HH TRP 61 8.640 9.718 2.124 485 H CYS 62 H CYS 62 5.619 3.726 9.028 486 HA CYS 62 HA CYS 62 3.422 5.003 10.621 487 HB2 CYS 62 1HB CYS 62 2.706 2.603 11.009 488 HB3 CYS 62 2HB CYS 62 2.450 3.275 9.416 489 H SER 63 H SER 63 3.170 4.200 12.827 490 HA SER 63 HA SER 63 5.769 3.814 14.270 491 HB2 SER 63 1HB SER 63 4.428 5.862 14.773 492 HB3 SER 63 2HB SER 63 3.086 4.826 15.279 493 HG SER 63 HG SER 63 4.210 5.319 17.111 494 H LYS 64 H LYS 64 6.143 1.988 15.400 495 HA LYS 64 HA LYS 64 4.074 -0.111 15.589 496 HB2 LYS 64 1HB LYS 64 5.917 -1.488 16.476 497 HB3 LYS 64 2HB LYS 64 6.268 -0.817 14.894 498 HG2 LYS 64 1HG LYS 64 7.829 0.758 15.761 499 HG3 LYS 64 2HG LYS 64 7.215 0.617 17.414 500 HD2 LYS 64 1HD LYS 64 8.089 -1.594 17.673 501 HD3 LYS 64 2HD LYS 64 8.588 -1.667 15.958 502 HE2 LYS 64 1HE LYS 64 10.111 0.243 16.317 503 HE3 LYS 64 2HE LYS 64 9.609 0.346 18.012 504 HZ1 LYS 64 3HZ LYS 64 11.693 -0.878 17.780 505 HZ2 LYS 64 1HZ LYS 64 10.537 -1.881 18.352 506 HZ3 LYS 64 2HZ LYS 64 11.000 -1.974 16.785 507 H GLY 65 H GLY 65 4.948 2.448 17.591 508 HA2 GLY 65 1HA GLY 65 4.976 1.069 20.168 509 HA3 GLY 65 2HA GLY 65 5.078 2.807 19.877 510 H ALA 66 H ALA 66 3.683 3.005 21.743 511 HA ALA 66 HA ALA 66 0.961 1.955 21.689 512 HB1 ALA 66 1HB ALA 66 2.298 2.174 23.763 513 HB2 ALA 66 2HB ALA 66 2.323 3.944 23.562 514 HB3 ALA 66 3HB ALA 66 0.790 3.097 23.856 515 H SER 67 H SER 67 2.193 4.423 19.886 516 HA SER 67 HA SER 67 -0.354 5.868 19.616 517 HB2 SER 67 1HB SER 67 0.783 6.842 21.632 518 HB3 SER 67 2HB SER 67 2.152 7.285 20.603 519 HG SER 67 HG SER 67 0.647 9.017 20.899 520 HA PRO 68 HA PRO 68 1.495 6.461 15.497 521 HB2 PRO 68 1HB PRO 68 -0.055 8.491 14.523 522 HB3 PRO 68 2HB PRO 68 -0.656 6.812 14.709 523 HG2 PRO 68 1HG PRO 68 -1.015 9.133 16.629 524 HG3 PRO 68 2HG PRO 68 -2.271 8.026 15.980 525 HD2 PRO 68 1HD PRO 68 -1.156 7.603 18.399 526 HD3 PRO 68 2HD PRO 68 -1.505 6.228 17.316 527 H GLY 69 H GLY 69 2.800 8.084 14.355 528 HA2 GLY 69 1HA GLY 69 3.526 10.635 15.250 529 HA3 GLY 69 2HA GLY 69 4.434 9.541 16.279 530 H LYS 70 H LYS 70 3.753 10.400 12.948 531 HA LYS 70 HA LYS 70 6.496 10.026 11.984 532 HB2 LYS 70 1HB LYS 70 4.152 8.247 11.158 533 HB3 LYS 70 2HB LYS 70 5.471 8.548 10.049 534 HG2 LYS 70 1HG LYS 70 5.771 7.182 12.737 535 HG3 LYS 70 2HG LYS 70 5.698 6.431 11.156 536 HD2 LYS 70 1HD LYS 70 7.712 7.816 10.484 537 HD3 LYS 70 2HD LYS 70 7.910 8.202 12.205 538 HE2 LYS 70 1HE LYS 70 7.834 5.392 11.013 539 HE3 LYS 70 2HE LYS 70 9.322 6.283 11.358 540 HZ1 LYS 70 3HZ LYS 70 8.644 4.706 13.115 541 HZ2 LYS 70 1HZ LYS 70 8.780 6.248 13.692 542 HZ3 LYS 70 2HZ LYS 70 7.304 5.582 13.405 543 H ASP 71 H ASP 71 6.507 10.508 9.537 544 HA ASP 71 HA ASP 71 5.291 13.003 8.881 545 HB2 ASP 71 1HB ASP 71 6.484 10.821 7.122 546 HB3 ASP 71 2HB ASP 71 6.028 12.422 6.546 547 H CYS 72 H CYS 72 3.993 9.758 8.597 548 HA CYS 72 HA CYS 72 1.585 10.780 7.144 549 HB2 CYS 72 1HB CYS 72 2.461 7.933 7.684 550 HB3 CYS 72 2HB CYS 72 1.105 8.450 6.691 551 H ASN 73 H ASN 73 2.509 10.423 10.323 552 HA ASN 73 HA ASN 73 1.457 10.217 12.303 553 HB2 ASN 73 1HB ASN 73 0.777 12.402 11.311 554 HB3 ASN 73 2HB ASN 73 -0.723 11.659 10.754 555 HD21 ASN 73 2HD2 ASN 73 -1.981 13.140 12.069 556 HD22 ASN 73 1HD2 ASN 73 -2.043 12.950 13.813 557 H VAL 74 H VAL 74 1.349 7.771 11.500 558 HA VAL 74 HA VAL 74 -1.307 6.724 12.242 559 HB VAL 74 HB VAL 74 -1.336 7.083 9.786 560 HG11 VAL 74 1HG1 VAL 74 1.061 6.655 9.269 561 HG12 VAL 74 2HG1 VAL 74 0.819 4.931 9.630 562 HG13 VAL 74 3HG1 VAL 74 -0.034 5.683 8.275 563 HG21 VAL 74 3HG2 VAL 74 -2.262 4.940 9.204 564 HG22 VAL 74 1HG2 VAL 74 -1.424 4.149 10.552 565 HG23 VAL 74 2HG2 VAL 74 -2.708 5.339 10.871 566 H LYS 75 H LYS 75 -1.334 4.723 13.084 567 HA LYS 75 HA LYS 75 1.237 3.623 14.041 568 HB2 LYS 75 1HB LYS 75 -0.863 4.372 15.413 569 HB3 LYS 75 2HB LYS 75 -1.532 2.810 14.938 570 HG2 LYS 75 1HG LYS 75 0.356 1.663 16.055 571 HG3 LYS 75 2HG LYS 75 1.119 3.227 16.372 572 HD2 LYS 75 1HD LYS 75 0.158 2.605 18.397 573 HD3 LYS 75 2HD LYS 75 -0.877 3.872 17.789 574 HE2 LYS 75 1HE LYS 75 -1.571 0.954 17.277 575 HE3 LYS 75 2HE LYS 75 -1.792 1.626 18.889 576 HZ1 LYS 75 3HZ LYS 75 -3.821 1.847 17.683 577 HZ2 LYS 75 1HZ LYS 75 -3.232 3.347 17.913 578 HZ3 LYS 75 2HZ LYS 75 -3.141 2.631 16.436 579 H CYS 76 H CYS 76 1.985 1.617 13.489 580 HA CYS 76 HA CYS 76 1.362 0.217 11.170 581 HB2 CYS 76 1HB CYS 76 2.476 -0.899 13.778 582 HB3 CYS 76 2HB CYS 76 2.643 -1.623 12.185 583 H SER 77 H SER 77 -0.054 -0.399 14.405 584 HA SER 77 HA SER 77 -1.441 -2.811 13.671 585 HB2 SER 77 1HB SER 77 -0.833 -2.035 15.991 586 HB3 SER 77 2HB SER 77 -2.171 -0.875 15.890 587 HG SER 77 HG SER 77 -2.764 -2.880 16.911 588 H ASP 78 H ASP 78 -2.434 0.636 13.366 589 HA ASP 78 HA ASP 78 -5.202 0.009 12.715 590 HB2 ASP 78 1HB ASP 78 -3.497 2.511 12.404 591 HB3 ASP 78 2HB ASP 78 -5.180 2.414 11.911 592 H LEU 79 H LEU 79 -2.289 -0.414 10.989 593 HA LEU 79 HA LEU 79 -3.519 -0.116 8.321 594 HB2 LEU 79 1HB LEU 79 -0.865 -1.430 8.955 595 HB3 LEU 79 2HB LEU 79 -1.421 -0.727 7.443 596 HG LEU 79 HG LEU 79 -0.609 0.792 9.948 597 HD11 LEU 79 1HD1 LEU 79 1.257 -0.098 8.659 598 HD12 LEU 79 2HD1 LEU 79 0.574 0.543 7.152 599 HD13 LEU 79 3HD1 LEU 79 1.161 1.652 8.406 600 HD21 LEU 79 3HD2 LEU 79 -0.904 2.845 8.555 601 HD22 LEU 79 1HD2 LEU 79 -1.687 1.851 7.319 602 HD23 LEU 79 2HD2 LEU 79 -2.442 2.044 8.913 603 H LEU 80 H LEU 80 -3.471 -2.509 10.762 604 HA LEU 80 HA LEU 80 -3.767 -4.795 8.911 605 HB2 LEU 80 1HB LEU 80 -3.684 -4.746 11.944 606 HB3 LEU 80 2HB LEU 80 -3.569 -6.166 10.914 607 HG LEU 80 HG LEU 80 -1.499 -3.951 11.116 608 HD11 LEU 80 1HD1 LEU 80 -1.650 -5.400 13.112 609 HD12 LEU 80 2HD1 LEU 80 -1.488 -6.844 12.088 610 HD13 LEU 80 3HD1 LEU 80 -0.143 -5.699 12.236 611 HD21 LEU 80 3HD2 LEU 80 -0.050 -5.471 9.765 612 HD22 LEU 80 1HD2 LEU 80 -1.449 -6.528 9.491 613 HD23 LEU 80 2HD2 LEU 80 -1.438 -4.862 8.862 614 H THR 81 H THR 81 -5.890 -2.587 9.649 615 HA THR 81 HA THR 81 -8.024 -4.166 10.913 616 HB THR 81 HB THR 81 -7.293 -1.895 11.642 617 HG1 THR 81 1HG THR 81 -9.413 -1.354 12.139 618 HG21 THR 81 3HG2 THR 81 -7.972 0.071 10.559 619 HG22 THR 81 1HG2 THR 81 -7.269 -0.896 9.258 620 HG23 THR 81 2HG2 THR 81 -9.032 -0.786 9.416 621 H ASP 82 H ASP 82 -10.283 -3.064 9.978 622 HA ASP 82 HA ASP 82 -10.666 -4.689 7.552 623 HB2 ASP 82 1HB ASP 82 -12.902 -4.854 8.184 624 HB3 ASP 82 2HB ASP 82 -11.984 -4.960 9.683 625 H ASP 83 H ASP 83 -9.937 -1.636 7.871 626 HA ASP 83 HA ASP 83 -11.042 -0.973 5.202 627 HB2 ASP 83 1HB ASP 83 -12.401 0.263 6.918 628 HB3 ASP 83 2HB ASP 83 -10.938 1.125 7.394 629 H ILE 84 H ILE 84 -9.491 -0.528 3.872 630 HA ILE 84 HA ILE 84 -6.720 -0.589 4.673 631 HB ILE 84 HB ILE 84 -6.211 -0.604 2.350 632 HG12 ILE 84 1HG1 ILE 84 -9.053 0.343 1.763 633 HG13 ILE 84 2HG1 ILE 84 -7.598 1.338 1.690 634 HG21 ILE 84 1HG2 ILE 84 -7.419 -2.612 3.300 635 HG22 ILE 84 2HG2 ILE 84 -8.914 -2.004 2.587 636 HG23 ILE 84 3HG2 ILE 84 -7.564 -2.463 1.546 637 HD11 ILE 84 3HD1 ILE 84 -8.237 0.718 -0.519 638 HD12 ILE 84 1HD1 ILE 84 -6.671 -0.025 -0.102 639 HD13 ILE 84 2HD1 ILE 84 -8.165 -1.009 -0.126 640 H THR 85 H THR 85 -8.879 2.037 4.488 641 HA THR 85 HA THR 85 -7.468 4.068 3.236 642 HB THR 85 HB THR 85 -9.809 4.117 3.904 643 HG1 THR 85 1HG THR 85 -9.800 6.320 4.303 644 HG21 THR 85 3HG2 THR 85 -10.519 4.837 6.083 645 HG22 THR 85 1HG2 THR 85 -9.508 3.402 6.309 646 HG23 THR 85 2HG2 THR 85 -8.842 5.015 6.647 647 H LYS 86 H LYS 86 -6.940 2.994 6.565 648 HA LYS 86 HA LYS 86 -5.232 5.156 7.373 649 HB2 LYS 86 1HB LYS 86 -5.158 2.234 8.238 650 HB3 LYS 86 2HB LYS 86 -4.504 3.602 9.133 651 HG2 LYS 86 1HG LYS 86 -7.455 3.041 8.585 652 HG3 LYS 86 2HG LYS 86 -6.604 2.824 10.107 653 HD2 LYS 86 1HD LYS 86 -6.155 5.286 10.196 654 HD3 LYS 86 2HD LYS 86 -7.115 5.486 8.710 655 HE2 LYS 86 1HE LYS 86 -9.080 4.471 9.840 656 HE3 LYS 86 2HE LYS 86 -8.131 4.269 11.319 657 HZ1 LYS 86 3HZ LYS 86 -9.485 6.274 11.406 658 HZ2 LYS 86 1HZ LYS 86 -7.907 6.690 11.429 659 HZ3 LYS 86 2HZ LYS 86 -8.785 6.880 10.060 660 H ALA 87 H ALA 87 -4.587 2.258 5.468 661 HA ALA 87 HA ALA 87 -1.670 2.809 5.319 662 HB1 ALA 87 1HB ALA 87 -2.626 0.460 5.594 663 HB2 ALA 87 2HB ALA 87 -3.314 0.620 3.965 664 HB3 ALA 87 3HB ALA 87 -1.551 0.681 4.208 665 H ALA 88 H ALA 88 -4.600 2.900 3.269 666 HA ALA 88 HA ALA 88 -3.239 3.524 0.863 667 HB1 ALA 88 1HB ALA 88 -5.600 2.572 1.252 668 HB2 ALA 88 2HB ALA 88 -6.119 4.263 1.488 669 HB3 ALA 88 3HB ALA 88 -5.397 3.738 -0.044 670 H LYS 89 H LYS 89 -4.728 5.799 3.253 671 HA LYS 89 HA LYS 89 -3.986 8.157 1.714 672 HB2 LYS 89 1HB LYS 89 -4.729 7.710 4.622 673 HB3 LYS 89 2HB LYS 89 -4.400 9.305 3.921 674 HG2 LYS 89 1HG LYS 89 -6.200 9.000 2.269 675 HG3 LYS 89 2HG LYS 89 -6.571 7.397 2.928 676 HD2 LYS 89 1HD LYS 89 -7.148 8.377 5.099 677 HD3 LYS 89 2HD LYS 89 -6.747 10.001 4.521 678 HE2 LYS 89 1HE LYS 89 -8.896 8.203 3.302 679 HE3 LYS 89 2HE LYS 89 -9.216 9.417 4.544 680 HZ1 LYS 89 3HZ LYS 89 -9.663 10.308 2.357 681 HZ2 LYS 89 1HZ LYS 89 -8.400 11.118 3.000 682 HZ3 LYS 89 2HZ LYS 89 -8.149 9.992 1.836 683 H CYS 90 H CYS 90 -2.291 6.202 4.107 684 HA CYS 90 HA CYS 90 0.037 7.937 4.380 685 HB2 CYS 90 1HB CYS 90 -0.518 6.246 6.029 686 HB3 CYS 90 2HB CYS 90 -0.395 4.959 4.832 687 H ALA 91 H ALA 91 -0.806 5.214 2.183 688 HA ALA 91 HA ALA 91 1.560 5.241 0.645 689 HB1 ALA 91 1HB ALA 91 -0.173 3.468 0.647 690 HB2 ALA 91 2HB ALA 91 -1.266 4.548 -0.228 691 HB3 ALA 91 3HB ALA 91 0.239 4.018 -0.993 692 H LYS 92 H LYS 92 -1.415 7.334 0.170 693 HA LYS 92 HA LYS 92 -0.325 8.679 -2.102 694 HB2 LYS 92 1HB LYS 92 -2.062 9.992 0.008 695 HB3 LYS 92 2HB LYS 92 -1.882 10.445 -1.679 696 HG2 LYS 92 1HG LYS 92 -3.369 8.117 -0.489 697 HG3 LYS 92 2HG LYS 92 -4.000 9.441 -1.406 698 HD2 LYS 92 1HD LYS 92 -2.443 7.040 -2.403 699 HD3 LYS 92 2HD LYS 92 -4.112 7.443 -2.713 700 HE2 LYS 92 1HE LYS 92 -1.694 8.956 -3.813 701 HE3 LYS 92 2HE LYS 92 -2.687 7.799 -4.694 702 HZ1 LYS 92 3HZ LYS 92 -3.407 9.965 -5.264 703 HZ2 LYS 92 1HZ LYS 92 -4.596 9.333 -4.350 704 HZ3 LYS 92 2HZ LYS 92 -3.578 10.442 -3.702 705 H LYS 93 H LYS 93 0.107 9.384 1.388 706 HA LYS 93 HA LYS 93 1.758 11.706 0.961 707 HB2 LYS 93 1HB LYS 93 0.486 11.258 3.030 708 HB3 LYS 93 2HB LYS 93 1.516 9.876 3.380 709 HG2 LYS 93 1HG LYS 93 2.101 11.819 4.740 710 HG3 LYS 93 2HG LYS 93 3.454 11.340 3.720 711 HD2 LYS 93 1HD LYS 93 2.965 13.176 2.150 712 HD3 LYS 93 2HD LYS 93 1.541 13.644 3.087 713 HE2 LYS 93 1HE LYS 93 4.419 13.649 4.126 714 HE3 LYS 93 2HE LYS 93 3.611 15.053 3.420 715 HZ1 LYS 93 3HZ LYS 93 3.430 15.167 5.786 716 HZ2 LYS 93 1HZ LYS 93 1.931 14.866 5.213 717 HZ3 LYS 93 2HZ LYS 93 2.811 13.668 5.918 718 H ILE 94 H ILE 94 2.553 8.287 0.941 719 HA ILE 94 HA ILE 94 5.461 8.739 0.764 720 HB ILE 94 HB ILE 94 3.735 6.342 0.029 721 HG12 ILE 94 1HG1 ILE 94 5.624 6.709 2.370 722 HG13 ILE 94 2HG1 ILE 94 3.919 7.034 2.511 723 HG21 ILE 94 1HG2 ILE 94 5.806 6.327 -1.303 724 HG22 ILE 94 2HG2 ILE 94 6.771 6.656 0.149 725 HG23 ILE 94 3HG2 ILE 94 5.921 5.106 -0.044 726 HD11 ILE 94 3HD1 ILE 94 4.320 4.843 3.385 727 HD12 ILE 94 1HD1 ILE 94 3.418 4.661 1.873 728 HD13 ILE 94 2HD1 ILE 94 5.166 4.325 1.920 729 H TYR 95 H TYR 95 2.885 8.049 -1.664 730 HA TYR 95 HA TYR 95 4.474 8.227 -3.950 731 HB2 TYR 95 1HB TYR 95 2.504 7.323 -4.443 732 HB3 TYR 95 2HB TYR 95 1.596 8.308 -3.311 733 HD1 TYR 95 2HD TYR 95 0.939 10.683 -3.930 734 HD2 TYR 95 1HD TYR 95 2.392 7.793 -6.779 735 HE1 TYR 95 2HE TYR 95 -0.058 12.008 -5.780 736 HE2 TYR 95 1HE TYR 95 1.450 9.145 -8.635 737 HH TYR 95 HH TYR 95 -0.374 12.182 -8.055 738 H LYS 96 H LYS 96 3.201 10.953 -2.069 739 HA LYS 96 HA LYS 96 3.646 13.106 -3.776 740 HB2 LYS 96 1HB LYS 96 2.391 12.971 -1.650 741 HB3 LYS 96 2HB LYS 96 3.859 12.531 -0.791 742 HG2 LYS 96 1HG LYS 96 3.239 14.760 -0.303 743 HG3 LYS 96 2HG LYS 96 4.806 14.695 -1.104 744 HD2 LYS 96 1HD LYS 96 3.563 16.604 -1.955 745 HD3 LYS 96 2HD LYS 96 3.716 15.408 -3.250 746 HE2 LYS 96 1HE LYS 96 1.405 14.611 -2.795 747 HE3 LYS 96 2HE LYS 96 1.265 15.757 -1.456 748 HZ1 LYS 96 3HZ LYS 96 0.240 16.622 -3.474 749 HZ2 LYS 96 1HZ LYS 96 1.507 17.567 -3.064 750 HZ3 LYS 96 2HZ LYS 96 1.642 16.510 -4.305 751 H ARG 97 H ARG 97 6.004 11.075 -2.131 752 HA ARG 97 HA ARG 97 8.261 12.875 -2.963 753 HB2 ARG 97 1HB ARG 97 8.187 10.806 -0.728 754 HB3 ARG 97 2HB ARG 97 9.549 11.839 -1.151 755 HG2 ARG 97 1HG ARG 97 6.870 12.738 0.002 756 HG3 ARG 97 2HG ARG 97 8.417 12.670 0.843 757 HD2 ARG 97 1HD ARG 97 9.334 14.415 -0.651 758 HD3 ARG 97 2HD ARG 97 7.801 14.468 -1.534 759 HE ARG 97 HE ARG 97 7.769 14.981 1.387 760 HH11 ARG 97 1HH1 ARG 97 7.471 16.397 -1.848 761 HH12 ARG 97 2HH1 ARG 97 6.799 17.877 -1.231 762 HH21 ARG 97 1HH2 ARG 97 6.894 16.910 2.104 763 HH22 ARG 97 2HH2 ARG 97 6.468 18.154 0.971 764 H HIS 98 H HIS 98 7.066 9.565 -2.880 765 HA HIS 98 HA HIS 98 8.972 8.689 -5.008 766 HB2 HIS 98 1HB HIS 98 8.414 7.334 -2.333 767 HB3 HIS 98 2HB HIS 98 9.298 6.602 -3.666 768 HD2 HIS 98 2HD HIS 98 9.787 8.754 -0.649 769 HE1 HIS 98 1HE HIS 98 13.448 9.036 -2.803 770 HE2 HIS 98 2HE HIS 98 12.297 9.545 -0.589 771 H ARG 99 H ARG 99 7.079 8.964 -6.339 772 HA ARG 99 HA ARG 99 4.573 8.241 -6.110 773 HB2 ARG 99 1HB ARG 99 4.252 7.904 -8.446 774 HB3 ARG 99 2HB ARG 99 5.166 9.344 -8.043 775 HG2 ARG 99 1HG ARG 99 6.572 6.782 -8.891 776 HG3 ARG 99 2HG ARG 99 5.871 7.874 -10.075 777 HD2 ARG 99 1HD ARG 99 7.260 9.668 -9.479 778 HD3 ARG 99 2HD ARG 99 7.755 8.972 -7.977 779 HE ARG 99 HE ARG 99 9.229 7.521 -8.862 780 HH11 ARG 99 1HH1 ARG 99 7.761 9.195 -11.627 781 HH12 ARG 99 2HH1 ARG 99 8.962 8.573 -12.721 782 HH21 ARG 99 1HH2 ARG 99 10.652 6.787 -10.219 783 HH22 ARG 99 2HH2 ARG 99 10.632 7.200 -11.927 784 H PHE 100 H PHE 100 6.945 5.841 -7.204 785 HA PHE 100 HA PHE 100 5.379 3.658 -5.927 786 HB2 PHE 100 1HB PHE 100 6.637 3.415 -8.673 787 HB3 PHE 100 2HB PHE 100 5.736 2.192 -7.780 788 HD1 PHE 100 1HD PHE 100 3.264 2.921 -7.055 789 HD2 PHE 100 2HD PHE 100 5.486 4.541 -10.381 790 HE1 PHE 100 1HE PHE 100 1.153 3.606 -8.127 791 HE2 PHE 100 2HE PHE 100 3.358 5.228 -11.458 792 HZ PHE 100 HZ PHE 100 1.193 4.756 -10.340 793 H ASP 101 H ASP 101 8.307 5.285 -6.222 794 HA ASP 101 HA ASP 101 10.201 3.225 -6.543 795 HB2 ASP 101 1HB ASP 101 10.829 5.876 -5.243 796 HB3 ASP 101 2HB ASP 101 11.796 4.937 -6.368 797 H ALA 102 H ALA 102 8.499 4.166 -3.718 798 HA ALA 102 HA ALA 102 10.458 3.264 -1.744 799 HB1 ALA 102 1HB ALA 102 8.822 5.053 -1.267 800 HB2 ALA 102 2HB ALA 102 7.484 3.909 -1.535 801 HB3 ALA 102 3HB ALA 102 8.597 3.678 -0.173 802 H TRP 103 H TRP 103 8.410 1.583 -3.882 803 HA TRP 103 HA TRP 103 8.181 -0.814 -2.083 804 HB2 TRP 103 1HB TRP 103 6.413 0.202 -4.329 805 HB3 TRP 103 2HB TRP 103 6.227 -1.349 -3.526 806 HD1 TRP 103 HD TRP 103 5.516 -1.339 -0.944 807 HE1 TRP 103 1HE TRP 103 4.011 0.234 0.358 808 HE3 TRP 103 3HE TRP 103 5.912 2.765 -3.947 809 HZ2 TRP 103 2HZ TRP 103 2.879 2.910 -0.003 810 HZ3 TRP 103 3HZ TRP 103 4.581 4.802 -3.489 811 HH2 TRP 103 HH TRP 103 3.010 4.862 -1.561 812 H TYR 104 H TYR 104 9.429 -2.357 -2.489 813 HA TYR 104 HA TYR 104 10.835 -3.029 -4.896 814 HB2 TYR 104 1HB TYR 104 11.623 -3.876 -2.844 815 HB3 TYR 104 2HB TYR 104 10.033 -4.408 -2.329 816 HD1 TYR 104 1HD TYR 104 12.722 -5.157 -4.836 817 HD2 TYR 104 2HD TYR 104 9.247 -6.558 -2.716 818 HE1 TYR 104 1HE TYR 104 13.155 -7.475 -5.669 819 HE2 TYR 104 2HE TYR 104 9.667 -8.879 -3.540 820 HH TYR 104 HH TYR 104 11.048 -10.245 -4.779 821 H GLY 105 H GLY 105 7.649 -4.015 -3.597 822 HA2 GLY 105 1HA GLY 105 7.070 -6.003 -5.568 823 HA3 GLY 105 2HA GLY 105 5.891 -5.207 -4.504 824 H TRP 106 H TRP 106 7.211 -2.660 -6.086 825 HA TRP 106 HA TRP 106 5.396 -2.849 -8.454 826 HB2 TRP 106 1HB TRP 106 5.098 -0.847 -7.203 827 HB3 TRP 106 2HB TRP 106 6.819 -0.522 -7.140 828 HD1 TRP 106 HD TRP 106 3.866 -0.455 -9.607 829 HE1 TRP 106 1HE TRP 106 4.491 0.963 -11.650 830 HE3 TRP 106 3HE TRP 106 8.694 0.597 -8.361 831 HZ2 TRP 106 2HZ TRP 106 6.848 2.360 -12.634 832 HZ3 TRP 106 3HZ TRP 106 10.153 1.868 -9.878 833 HH2 TRP 106 HH TRP 106 9.239 2.792 -12.025 834 H LYS 107 H LYS 107 8.734 -1.656 -7.799 835 HA LYS 107 HA LYS 107 9.530 -1.727 -10.483 836 HB2 LYS 107 1HB LYS 107 11.839 -1.470 -9.637 837 HB3 LYS 107 2HB LYS 107 10.695 -0.388 -8.858 838 HG2 LYS 107 1HG LYS 107 10.581 -1.960 -6.916 839 HG3 LYS 107 2HG LYS 107 11.817 -2.961 -7.692 840 HD2 LYS 107 1HD LYS 107 12.955 -1.663 -6.091 841 HD3 LYS 107 2HD LYS 107 13.329 -0.892 -7.642 842 HE2 LYS 107 1HE LYS 107 11.591 0.830 -7.211 843 HE3 LYS 107 2HE LYS 107 11.113 -0.002 -5.726 844 HZ1 LYS 107 3HZ LYS 107 12.558 1.810 -5.180 845 HZ2 LYS 107 1HZ LYS 107 13.374 0.432 -4.868 846 HZ3 LYS 107 2HZ LYS 107 13.734 1.302 -6.210 847 H ASN 108 H ASN 108 9.579 -4.460 -8.255 848 HA ASN 108 HA ASN 108 11.427 -6.071 -9.703 849 HB2 ASN 108 1HB ASN 108 10.797 -6.371 -7.336 850 HB3 ASN 108 2HB ASN 108 9.172 -6.864 -7.818 851 HD21 ASN 108 2HD2 ASN 108 8.888 -9.074 -7.917 852 HD22 ASN 108 1HD2 ASN 108 10.184 -10.228 -8.185 853 H HIS 109 H HIS 109 8.064 -5.409 -10.467 854 HA HIS 109 HA HIS 109 8.201 -7.346 -12.701 855 HB2 HIS 109 1HB HIS 109 6.498 -8.754 -12.059 856 HB3 HIS 109 2HB HIS 109 7.391 -8.532 -10.561 857 HD2 HIS 109 2HD HIS 109 6.076 -5.872 -9.439 858 HE1 HIS 109 1HE HIS 109 2.425 -8.033 -9.640 859 HE2 HIS 109 2HE HIS 109 3.598 -6.029 -8.603 860 H CYS 110 H CYS 110 6.618 -4.494 -11.391 861 HA CYS 110 HA CYS 110 4.556 -4.252 -13.368 862 HB2 CYS 110 1HB CYS 110 5.993 -2.198 -11.645 863 HB3 CYS 110 2HB CYS 110 4.580 -1.843 -12.613 864 H GLN 111 H GLN 111 7.982 -3.615 -13.636 865 HA GLN 111 HA GLN 111 7.767 -1.914 -15.987 866 HB2 GLN 111 1HB GLN 111 10.105 -2.055 -16.161 867 HB3 GLN 111 2HB GLN 111 9.694 -1.862 -14.460 868 HG2 GLN 111 1HG GLN 111 10.082 -4.332 -14.128 869 HG3 GLN 111 2HG GLN 111 10.538 -4.467 -15.834 870 HE21 GLN 111 2HE2 GLN 111 11.441 -3.013 -12.711 871 HE22 GLN 111 1HE2 GLN 111 13.108 -2.659 -13.170 872 H GLY 112 H GLY 112 7.431 -5.327 -15.510 873 HA2 GLY 112 1HA GLY 112 8.022 -6.046 -18.334 874 HA3 GLY 112 2HA GLY 112 7.595 -7.141 -16.996 875 H SER 113 H SER 113 5.289 -6.345 -16.003 876 HA SER 113 HA SER 113 3.284 -5.941 -18.159 877 HB2 SER 113 1HB SER 113 3.520 -8.486 -16.501 878 HB3 SER 113 2HB SER 113 2.112 -8.039 -17.473 879 HG SER 113 HG SER 113 3.532 -9.481 -18.585 880 H LEU 114 H LEU 114 1.391 -5.059 -17.427 881 HA LEU 114 HA LEU 114 0.813 -5.036 -14.502 882 HB2 LEU 114 1HB LEU 114 0.101 -3.072 -16.722 883 HB3 LEU 114 2HB LEU 114 -0.563 -3.002 -15.096 884 HG LEU 114 HG LEU 114 2.412 -2.751 -15.731 885 HD11 LEU 114 1HD1 LEU 114 1.060 -0.911 -16.666 886 HD12 LEU 114 2HD1 LEU 114 0.354 -0.611 -15.056 887 HD13 LEU 114 3HD1 LEU 114 2.095 -0.363 -15.334 888 HD21 LEU 114 3HD2 LEU 114 2.471 -1.803 -13.386 889 HD22 LEU 114 1HD2 LEU 114 0.802 -2.361 -13.165 890 HD23 LEU 114 2HD2 LEU 114 2.111 -3.531 -13.451 891 HA PRO 115 HA PRO 115 -2.891 -7.311 -15.581 892 HB2 PRO 115 1HB PRO 115 -4.494 -6.821 -13.451 893 HB3 PRO 115 2HB PRO 115 -2.980 -7.772 -13.293 894 HG2 PRO 115 1HG PRO 115 -3.405 -4.822 -12.698 895 HG3 PRO 115 2HG PRO 115 -2.623 -6.060 -11.659 896 HD2 PRO 115 1HD PRO 115 -1.188 -4.393 -13.287 897 HD3 PRO 115 2HD PRO 115 -0.686 -6.089 -12.990 898 H ASP 116 H ASP 116 -5.138 -7.002 -16.176 899 HA ASP 116 HA ASP 116 -5.801 -4.318 -17.160 900 HB2 ASP 116 1HB ASP 116 -6.209 -6.299 -18.549 901 HB3 ASP 116 2HB ASP 116 -7.284 -6.964 -17.315 902 H ILE 117 H ILE 117 -7.589 -3.170 -16.635 903 HA ILE 117 HA ILE 117 -9.108 -3.747 -14.125 904 HB ILE 117 HB ILE 117 -8.911 -1.388 -13.466 905 HG12 ILE 117 1HG1 ILE 117 -6.803 -1.111 -15.663 906 HG13 ILE 117 2HG1 ILE 117 -8.455 -0.513 -15.805 907 HG21 ILE 117 1HG2 ILE 117 -7.375 -3.124 -12.535 908 HG22 ILE 117 2HG2 ILE 117 -6.157 -2.667 -13.738 909 HG23 ILE 117 3HG2 ILE 117 -6.686 -1.499 -12.510 910 HD11 ILE 117 3HD1 ILE 117 -7.016 1.294 -15.193 911 HD12 ILE 117 1HD1 ILE 117 -8.105 0.937 -13.833 912 HD13 ILE 117 2HD1 ILE 117 -6.404 0.397 -13.790 913 H SER 118 H SER 118 -9.336 -3.032 -17.434 914 HA SER 118 HA SER 118 -11.485 -1.135 -17.390 915 HB2 SER 118 1HB SER 118 -10.626 -3.113 -19.528 916 HB3 SER 118 2HB SER 118 -11.776 -1.785 -19.766 917 HG SER 118 HG SER 118 -9.597 -1.233 -20.378 918 H SER 119 H SER 119 -11.605 -4.416 -16.497 919 HA SER 119 HA SER 119 -14.477 -4.811 -17.048 920 HB2 SER 119 1HB SER 119 -14.043 -6.917 -15.756 921 HB3 SER 119 2HB SER 119 -13.054 -6.728 -17.214 922 HG SER 119 HG SER 119 -11.815 -7.434 -15.388 923 H CYS 120 H CYS 120 -12.653 -3.155 -14.688 924 HA CYS 120 HA CYS 120 -14.445 -3.727 -12.415 925 HB2 CYS 120 1HB CYS 120 -11.974 -1.989 -12.585 926 HB3 CYS 120 2HB CYS 120 -12.771 -2.548 -11.120 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -8.291 -8.700 10.475 2 H2 GLY 1 2H GLY 1 -6.841 -9.186 9.868 3 H3 GLY 1 3H GLY 1 -6.970 -7.724 10.604 4 HA2 GLY 1 1HA GLY 1 -8.349 -6.856 8.886 5 HA3 GLY 1 2HA GLY 1 -6.833 -7.495 8.225 6 H LYS 2 H LYS 2 -7.783 -7.744 6.200 7 HA LYS 2 HA LYS 2 -9.266 -10.205 5.675 8 HB2 LYS 2 1HB LYS 2 -11.179 -9.130 4.652 9 HB3 LYS 2 2HB LYS 2 -11.050 -8.593 6.326 10 HG2 LYS 2 1HG LYS 2 -10.009 -6.465 5.589 11 HG3 LYS 2 2HG LYS 2 -10.110 -6.987 3.905 12 HD2 LYS 2 1HD LYS 2 -12.518 -6.596 5.721 13 HD3 LYS 2 2HD LYS 2 -11.882 -5.391 4.591 14 HE2 LYS 2 1HE LYS 2 -12.229 -6.958 2.695 15 HE3 LYS 2 2HE LYS 2 -12.930 -8.144 3.807 16 HZ1 LYS 2 3HZ LYS 2 -14.647 -6.830 2.712 17 HZ2 LYS 2 1HZ LYS 2 -14.679 -6.533 4.318 18 HZ3 LYS 2 2HZ LYS 2 -14.029 -5.434 3.295 19 H THR 3 H THR 3 -9.565 -10.591 3.358 20 HA THR 3 HA THR 3 -7.457 -9.298 1.689 21 HB THR 3 HB THR 3 -8.636 -12.041 1.204 22 HG1 THR 3 1HG THR 3 -6.828 -12.815 2.298 23 HG21 THR 3 3HG2 THR 3 -6.459 -12.313 -0.016 24 HG22 THR 3 1HG2 THR 3 -7.432 -11.002 -0.698 25 HG23 THR 3 2HG2 THR 3 -6.059 -10.621 0.361 26 H PHE 4 H PHE 4 -7.950 -8.322 -0.102 27 HA PHE 4 HA PHE 4 -10.774 -8.118 -1.008 28 HB2 PHE 4 1HB PHE 4 -8.288 -6.442 -1.529 29 HB3 PHE 4 2HB PHE 4 -9.818 -6.132 -2.297 30 HD1 PHE 4 1HD PHE 4 -8.164 -6.305 1.082 31 HD2 PHE 4 2HD PHE 4 -11.481 -4.776 -1.226 32 HE1 PHE 4 1HE PHE 4 -8.930 -4.993 3.034 33 HE2 PHE 4 2HE PHE 4 -12.243 -3.490 0.739 34 HZ PHE 4 HZ PHE 4 -10.981 -3.598 2.879 35 H THR 5 H THR 5 -11.243 -8.187 -3.229 36 HA THR 5 HA THR 5 -9.497 -9.909 -4.948 37 HB THR 5 HB THR 5 -11.828 -10.668 -4.655 38 HG1 THR 5 1HG THR 5 -12.017 -11.045 -6.862 39 HG21 THR 5 3HG2 THR 5 -13.663 -9.550 -5.762 40 HG22 THR 5 1HG2 THR 5 -12.968 -8.402 -4.610 41 HG23 THR 5 2HG2 THR 5 -12.611 -8.253 -6.350 42 H ARG 6 H ARG 6 -9.292 -9.127 -7.279 43 HA ARG 6 HA ARG 6 -8.044 -6.588 -7.207 44 HB2 ARG 6 1HB ARG 6 -7.542 -8.410 -8.823 45 HB3 ARG 6 2HB ARG 6 -9.020 -8.017 -9.710 46 HG2 ARG 6 1HG ARG 6 -8.180 -5.732 -10.144 47 HG3 ARG 6 2HG ARG 6 -6.741 -6.042 -9.161 48 HD2 ARG 6 1HD ARG 6 -7.486 -7.533 -11.709 49 HD3 ARG 6 2HD ARG 6 -6.350 -6.182 -11.618 50 HE ARG 6 HE ARG 6 -5.147 -7.725 -9.849 51 HH11 ARG 6 1HH1 ARG 6 -6.683 -9.015 -12.782 52 HH12 ARG 6 2HH1 ARG 6 -5.553 -10.331 -12.877 53 HH21 ARG 6 1HH2 ARG 6 -3.656 -9.275 -10.143 54 HH22 ARG 6 2HH2 ARG 6 -3.866 -10.503 -11.374 55 H CYS 7 H CYS 7 -11.273 -7.393 -8.591 56 HA CYS 7 HA CYS 7 -11.963 -4.718 -9.348 57 HB2 CYS 7 1HB CYS 7 -13.120 -6.779 -10.106 58 HB3 CYS 7 2HB CYS 7 -13.785 -6.999 -8.488 59 H GLY 8 H GLY 8 -12.378 -6.379 -6.221 60 HA2 GLY 8 1HA GLY 8 -13.834 -4.274 -4.893 61 HA3 GLY 8 2HA GLY 8 -12.894 -5.570 -4.112 62 H LEU 9 H LEU 9 -10.317 -5.054 -5.035 63 HA LEU 9 HA LEU 9 -9.420 -2.821 -3.511 64 HB2 LEU 9 1HB LEU 9 -8.138 -4.908 -3.980 65 HB3 LEU 9 2HB LEU 9 -8.038 -4.473 -5.687 66 HG LEU 9 HG LEU 9 -6.780 -2.427 -5.089 67 HD11 LEU 9 1HD1 LEU 9 -7.574 -1.948 -2.855 68 HD12 LEU 9 2HD1 LEU 9 -7.011 -3.524 -2.266 69 HD13 LEU 9 3HD1 LEU 9 -5.839 -2.263 -2.748 70 HD21 LEU 9 3HD2 LEU 9 -4.690 -3.515 -4.599 71 HD22 LEU 9 1HD2 LEU 9 -5.523 -4.911 -3.875 72 HD23 LEU 9 2HD2 LEU 9 -5.638 -4.601 -5.623 73 H VAL 10 H VAL 10 -9.673 -3.181 -7.099 74 HA VAL 10 HA VAL 10 -8.869 -0.597 -7.862 75 HB VAL 10 HB VAL 10 -11.025 -2.408 -9.015 76 HG11 VAL 10 1HG1 VAL 10 -11.739 -0.244 -9.762 77 HG12 VAL 10 2HG1 VAL 10 -10.084 0.266 -10.106 78 HG13 VAL 10 3HG1 VAL 10 -10.863 -0.970 -11.107 79 HG21 VAL 10 3HG2 VAL 10 -9.420 -2.821 -10.791 80 HG22 VAL 10 1HG2 VAL 10 -8.282 -1.648 -10.096 81 HG23 VAL 10 2HG2 VAL 10 -8.643 -3.152 -9.242 82 H HIS 11 H HIS 11 -12.111 -1.627 -6.763 83 HA HIS 11 HA HIS 11 -13.330 0.989 -6.892 84 HB2 HIS 11 1HB HIS 11 -14.079 -1.551 -5.401 85 HB3 HIS 11 2HB HIS 11 -15.067 -0.104 -5.426 86 HD2 HIS 11 2HD HIS 11 -13.712 -0.392 -8.866 87 HE1 HIS 11 1HE HIS 11 -17.381 -2.546 -8.963 88 HE2 HIS 11 2HE HIS 11 -15.573 -1.482 -10.391 89 H GLU 12 H GLU 12 -11.876 -0.795 -4.136 90 HA GLU 12 HA GLU 12 -12.528 1.115 -2.132 91 HB2 GLU 12 1HB GLU 12 -11.501 -1.383 -2.107 92 HB3 GLU 12 2HB GLU 12 -9.999 -0.509 -1.931 93 HG2 GLU 12 1HG GLU 12 -10.926 -1.200 0.219 94 HG3 GLU 12 2HG GLU 12 -10.895 0.568 0.111 95 H LEU 13 H LEU 13 -9.663 0.866 -4.245 96 HA LEU 13 HA LEU 13 -8.338 3.204 -3.135 97 HB2 LEU 13 1HB LEU 13 -8.047 1.763 -5.784 98 HB3 LEU 13 2HB LEU 13 -6.889 2.922 -5.141 99 HG LEU 13 HG LEU 13 -7.580 0.287 -3.833 100 HD11 LEU 13 1HD1 LEU 13 -6.437 -0.020 -5.963 101 HD12 LEU 13 2HD1 LEU 13 -5.183 1.154 -5.484 102 HD13 LEU 13 3HD1 LEU 13 -5.328 -0.400 -4.628 103 HD21 LEU 13 3HD2 LEU 13 -5.615 0.665 -2.438 104 HD22 LEU 13 1HD2 LEU 13 -5.385 2.279 -3.176 105 HD23 LEU 13 2HD2 LEU 13 -6.817 1.931 -2.178 106 H ARG 14 H ARG 14 -10.482 2.715 -5.950 107 HA ARG 14 HA ARG 14 -10.443 5.415 -6.914 108 HB2 ARG 14 1HB ARG 14 -12.557 3.252 -6.995 109 HB3 ARG 14 2HB ARG 14 -12.878 4.862 -7.634 110 HG2 ARG 14 1HG ARG 14 -11.177 4.701 -9.294 111 HG3 ARG 14 2HG ARG 14 -10.502 3.230 -8.573 112 HD2 ARG 14 1HD ARG 14 -12.507 1.972 -9.064 113 HD3 ARG 14 2HD ARG 14 -13.324 3.427 -9.688 114 HE ARG 14 HE ARG 14 -10.945 3.044 -11.164 115 HH11 ARG 14 1HH1 ARG 14 -14.111 1.478 -10.789 116 HH12 ARG 14 2HH1 ARG 14 -13.948 0.610 -12.302 117 HH21 ARG 14 1HH2 ARG 14 -10.901 1.913 -13.180 118 HH22 ARG 14 2HH2 ARG 14 -12.243 0.875 -13.587 119 H LYS 15 H LYS 15 -12.430 3.969 -4.286 120 HA LYS 15 HA LYS 15 -13.836 6.400 -3.573 121 HB2 LYS 15 1HB LYS 15 -13.113 3.885 -2.020 122 HB3 LYS 15 2HB LYS 15 -14.114 5.177 -1.368 123 HG2 LYS 15 1HG LYS 15 -15.886 4.765 -2.905 124 HG3 LYS 15 2HG LYS 15 -14.872 3.771 -3.954 125 HD2 LYS 15 1HD LYS 15 -16.356 2.328 -2.674 126 HD3 LYS 15 2HD LYS 15 -14.676 2.051 -2.205 127 HE2 LYS 15 1HE LYS 15 -15.086 3.665 -0.246 128 HE3 LYS 15 2HE LYS 15 -16.804 3.608 -0.670 129 HZ1 LYS 15 3HZ LYS 15 -16.297 1.980 1.025 130 HZ2 LYS 15 1HZ LYS 15 -16.647 1.152 -0.344 131 HZ3 LYS 15 2HZ LYS 15 -15.083 1.328 0.148 132 H HIS 16 H HIS 16 -10.706 5.055 -2.573 133 HA HIS 16 HA HIS 16 -10.280 7.116 -0.555 134 HB2 HIS 16 1HB HIS 16 -8.621 4.734 -1.468 135 HB3 HIS 16 2HB HIS 16 -8.210 5.797 -0.121 136 HD2 HIS 16 2HD HIS 16 -8.396 3.130 0.941 137 HE1 HIS 16 1HE HIS 16 -12.516 3.557 1.838 138 HE2 HIS 16 2HE HIS 16 -10.447 2.221 2.356 139 H GLY 17 H GLY 17 -9.939 7.443 -3.781 140 HA2 GLY 17 1HA GLY 17 -9.226 9.447 -4.763 141 HA3 GLY 17 2HA GLY 17 -8.180 9.786 -3.366 142 H PHE 18 H PHE 18 -8.123 6.781 -5.288 143 HA PHE 18 HA PHE 18 -5.378 7.416 -6.266 144 HB2 PHE 18 1HB PHE 18 -6.968 4.868 -6.067 145 HB3 PHE 18 2HB PHE 18 -5.420 4.980 -6.878 146 HD1 PHE 18 2HD PHE 18 -6.933 5.821 -3.485 147 HD2 PHE 18 1HD PHE 18 -3.529 4.368 -5.679 148 HE1 PHE 18 2HE PHE 18 -5.732 5.499 -1.387 149 HE2 PHE 18 1HE PHE 18 -2.331 3.965 -3.545 150 HZ PHE 18 HZ PHE 18 -3.424 4.523 -1.389 151 H GLU 19 H GLU 19 -4.977 7.649 -8.452 152 HA GLU 19 HA GLU 19 -7.237 8.428 -10.081 153 HB2 GLU 19 1HB GLU 19 -4.303 8.203 -10.832 154 HB3 GLU 19 2HB GLU 19 -5.557 9.043 -11.745 155 HG2 GLU 19 1HG GLU 19 -4.549 9.816 -8.981 156 HG3 GLU 19 2HG GLU 19 -4.127 10.586 -10.503 157 H GLU 20 H GLU 20 -8.143 7.468 -11.858 158 HA GLU 20 HA GLU 20 -8.056 4.672 -12.100 159 HB2 GLU 20 1HB GLU 20 -9.522 4.919 -13.999 160 HB3 GLU 20 2HB GLU 20 -9.985 6.022 -12.705 161 HG2 GLU 20 1HG GLU 20 -8.848 7.897 -13.931 162 HG3 GLU 20 2HG GLU 20 -8.451 6.778 -15.238 163 H ASN 21 H ASN 21 -6.016 7.018 -13.780 164 HA ASN 21 HA ASN 21 -5.046 5.048 -15.721 165 HB2 ASN 21 1HB ASN 21 -3.709 6.776 -16.592 166 HB3 ASN 21 2HB ASN 21 -5.282 7.485 -16.257 167 HD21 ASN 21 2HD2 ASN 21 -2.327 8.547 -16.386 168 HD22 ASN 21 1HD2 ASN 21 -2.218 9.503 -14.918 169 H LEU 22 H LEU 22 -4.253 5.889 -12.455 170 HA LEU 22 HA LEU 22 -1.585 4.540 -12.605 171 HB2 LEU 22 1HB LEU 22 -2.948 5.993 -10.306 172 HB3 LEU 22 2HB LEU 22 -1.312 5.337 -10.309 173 HG LEU 22 HG LEU 22 -2.323 7.674 -11.960 174 HD11 LEU 22 1HD1 LEU 22 -1.999 8.146 -9.562 175 HD12 LEU 22 2HD1 LEU 22 -0.339 7.516 -9.656 176 HD13 LEU 22 3HD1 LEU 22 -0.790 8.988 -10.546 177 HD21 LEU 22 3HD2 LEU 22 0.042 8.003 -12.648 178 HD22 LEU 22 1HD2 LEU 22 0.472 6.456 -11.892 179 HD23 LEU 22 2HD2 LEU 22 -0.626 6.502 -13.291 180 H MET 23 H MET 23 -4.870 3.959 -11.677 181 HA MET 23 HA MET 23 -4.808 2.193 -9.640 182 HB2 MET 23 1HB MET 23 -6.742 3.128 -11.033 183 HB3 MET 23 2HB MET 23 -6.531 1.772 -12.104 184 HG2 MET 23 1HG MET 23 -8.342 1.374 -10.459 185 HG3 MET 23 2HG MET 23 -7.043 0.209 -10.231 186 HE1 MET 23 3HE MET 23 -8.105 3.820 -7.603 187 HE2 MET 23 1HE MET 23 -6.840 4.077 -8.830 188 HE3 MET 23 2HE MET 23 -8.469 3.579 -9.317 189 H ARG 24 H ARG 24 -4.216 1.135 -13.043 190 HA ARG 24 HA ARG 24 -3.791 -1.602 -12.561 191 HB2 ARG 24 1HB ARG 24 -2.382 0.192 -14.593 192 HB3 ARG 24 2HB ARG 24 -2.442 -1.575 -14.622 193 HG2 ARG 24 1HG ARG 24 -4.943 -1.453 -14.775 194 HG3 ARG 24 2HG ARG 24 -4.813 0.312 -14.889 195 HD2 ARG 24 1HD ARG 24 -5.049 -0.493 -17.112 196 HD3 ARG 24 2HD ARG 24 -3.360 0.018 -16.925 197 HE ARG 24 HE ARG 24 -3.762 -2.796 -16.315 198 HH11 ARG 24 1HH1 ARG 24 -3.409 -0.640 -19.102 199 HH12 ARG 24 2HH1 ARG 24 -2.823 -1.915 -20.126 200 HH21 ARG 24 1HH2 ARG 24 -2.937 -4.382 -17.682 201 HH22 ARG 24 2HH2 ARG 24 -2.593 -4.002 -19.338 202 H ASN 25 H ASN 25 -1.370 1.053 -12.338 203 HA ASN 25 HA ASN 25 0.862 -0.662 -11.616 204 HB2 ASN 25 1HB ASN 25 0.355 2.330 -11.336 205 HB3 ASN 25 2HB ASN 25 1.783 1.547 -10.684 206 HD21 ASN 25 2HD2 ASN 25 0.284 2.698 -13.641 207 HD22 ASN 25 1HD2 ASN 25 1.632 2.262 -14.671 208 H TRP 26 H TRP 26 -1.517 1.260 -9.706 209 HA TRP 26 HA TRP 26 -0.384 0.652 -7.171 210 HB2 TRP 26 1HB TRP 26 -3.110 1.606 -8.082 211 HB3 TRP 26 2HB TRP 26 -2.779 1.253 -6.395 212 HD1 TRP 26 HD TRP 26 -2.679 4.071 -8.677 213 HE1 TRP 26 1HE TRP 26 -1.425 6.049 -7.638 214 HE3 TRP 26 3HE TRP 26 -0.234 1.594 -4.918 215 HZ2 TRP 26 2HZ TRP 26 0.221 6.538 -5.312 216 HZ3 TRP 26 3HZ TRP 26 1.160 2.845 -3.296 217 HH2 TRP 26 HH TRP 26 1.372 5.314 -3.460 218 H VAL 27 H VAL 27 -3.184 -0.994 -8.810 219 HA VAL 27 HA VAL 27 -3.434 -2.862 -6.641 220 HB VAL 27 HB VAL 27 -4.848 -4.245 -7.925 221 HG11 VAL 27 1HG1 VAL 27 -5.677 -2.040 -7.101 222 HG12 VAL 27 2HG1 VAL 27 -5.455 -1.386 -8.734 223 HG13 VAL 27 3HG1 VAL 27 -6.588 -2.717 -8.456 224 HG21 VAL 27 3HG2 VAL 27 -5.340 -3.864 -10.332 225 HG22 VAL 27 1HG2 VAL 27 -3.952 -2.755 -10.415 226 HG23 VAL 27 2HG2 VAL 27 -3.709 -4.474 -10.027 227 H CYS 28 H CYS 28 -1.413 -3.008 -9.589 228 HA CYS 28 HA CYS 28 -0.575 -5.736 -9.160 229 HB2 CYS 28 1HB CYS 28 -0.508 -4.265 -11.254 230 HB3 CYS 28 2HB CYS 28 0.994 -3.597 -10.622 231 H LEU 29 H LEU 29 0.917 -2.596 -8.259 232 HA LEU 29 HA LEU 29 3.139 -3.543 -6.776 233 HB2 LEU 29 1HB LEU 29 2.756 -1.248 -7.483 234 HB3 LEU 29 2HB LEU 29 1.357 -1.082 -6.440 235 HG LEU 29 HG LEU 29 4.185 -1.531 -5.397 236 HD11 LEU 29 1HD1 LEU 29 3.975 0.573 -6.742 237 HD12 LEU 29 2HD1 LEU 29 2.610 1.068 -5.719 238 HD13 LEU 29 3HD1 LEU 29 4.237 0.897 -5.029 239 HD21 LEU 29 3HD2 LEU 29 3.212 -0.439 -3.320 240 HD22 LEU 29 1HD2 LEU 29 1.602 -0.607 -4.045 241 HD23 LEU 29 2HD2 LEU 29 2.574 -2.041 -3.641 242 H VAL 30 H VAL 30 -0.172 -2.782 -5.567 243 HA VAL 30 HA VAL 30 0.254 -3.717 -2.929 244 HB VAL 30 HB VAL 30 -2.245 -3.441 -4.612 245 HG11 VAL 30 1HG1 VAL 30 -2.859 -5.198 -3.075 246 HG12 VAL 30 2HG1 VAL 30 -2.082 -4.353 -1.722 247 HG13 VAL 30 3HG1 VAL 30 -3.553 -3.694 -2.482 248 HG21 VAL 30 3HG2 VAL 30 -2.662 -1.521 -3.153 249 HG22 VAL 30 1HG2 VAL 30 -1.245 -1.924 -2.157 250 HG23 VAL 30 2HG2 VAL 30 -1.031 -1.381 -3.828 251 H GLU 31 H GLU 31 -0.883 -5.592 -5.792 252 HA GLU 31 HA GLU 31 -1.256 -8.052 -4.392 253 HB2 GLU 31 1HB GLU 31 -0.678 -7.379 -7.292 254 HB3 GLU 31 2HB GLU 31 -0.818 -9.055 -6.737 255 HG2 GLU 31 1HG GLU 31 -3.053 -8.761 -5.994 256 HG3 GLU 31 2HG GLU 31 -3.004 -7.010 -6.200 257 H HIS 32 H HIS 32 1.710 -6.754 -5.943 258 HA HIS 32 HA HIS 32 3.243 -9.114 -5.166 259 HB2 HIS 32 1HB HIS 32 3.828 -6.487 -6.525 260 HB3 HIS 32 2HB HIS 32 5.119 -7.622 -6.099 261 HD2 HIS 32 2HD HIS 32 4.475 -10.328 -6.993 262 HE1 HIS 32 1HE HIS 32 2.882 -8.848 -10.652 263 HE2 HIS 32 2HE HIS 32 3.757 -10.923 -9.451 264 H GLU 33 H GLU 33 2.524 -6.139 -3.516 265 HA GLU 33 HA GLU 33 4.749 -6.493 -1.585 266 HB2 GLU 33 1HB GLU 33 2.510 -4.456 -1.815 267 HB3 GLU 33 2HB GLU 33 3.613 -4.518 -0.449 268 HG2 GLU 33 1HG GLU 33 4.439 -4.085 -3.347 269 HG3 GLU 33 2HG GLU 33 4.285 -2.840 -2.114 270 H SER 34 H SER 34 1.116 -6.431 -1.332 271 HA SER 34 HA SER 34 1.366 -8.013 1.209 272 HB2 SER 34 1HB SER 34 -0.735 -5.928 0.617 273 HB3 SER 34 2HB SER 34 -0.342 -6.698 2.165 274 HG SER 34 HG SER 34 1.022 -4.699 0.740 275 H SER 35 H SER 35 0.363 -8.467 -1.879 276 HA SER 35 HA SER 35 -1.082 -9.846 -2.933 277 HB2 SER 35 1HB SER 35 -1.550 -11.253 -0.311 278 HB3 SER 35 2HB SER 35 -1.625 -11.913 -1.950 279 HG SER 35 HG SER 35 0.682 -11.559 -2.091 280 H ARG 36 H ARG 36 -2.253 -7.461 -1.595 281 HA ARG 36 HA ARG 36 -4.225 -6.430 -1.341 282 HB2 ARG 36 1HB ARG 36 -5.798 -8.832 -2.294 283 HB3 ARG 36 2HB ARG 36 -6.199 -7.120 -2.401 284 HG2 ARG 36 1HG ARG 36 -4.189 -6.906 -3.999 285 HG3 ARG 36 2HG ARG 36 -4.159 -8.660 -4.039 286 HD2 ARG 36 1HD ARG 36 -6.629 -7.028 -4.748 287 HD3 ARG 36 2HD ARG 36 -5.460 -7.600 -5.928 288 HE ARG 36 HE ARG 36 -7.104 -9.343 -4.127 289 HH11 ARG 36 1HH1 ARG 36 -5.509 -9.018 -7.319 290 HH12 ARG 36 2HH1 ARG 36 -5.957 -10.644 -7.747 291 HH21 ARG 36 1HH2 ARG 36 -7.559 -11.396 -4.769 292 HH22 ARG 36 2HH2 ARG 36 -7.136 -11.943 -6.362 293 H ASP 37 H ASP 37 -3.114 -8.118 0.811 294 HA ASP 37 HA ASP 37 -5.544 -8.711 2.468 295 HB2 ASP 37 1HB ASP 37 -4.272 -10.728 1.896 296 HB3 ASP 37 2HB ASP 37 -2.795 -9.978 2.494 297 H THR 38 H THR 38 -5.855 -7.303 4.070 298 HA THR 38 HA THR 38 -3.827 -5.358 4.815 299 HB THR 38 HB THR 38 -5.346 -4.627 6.605 300 HG1 THR 38 1HG THR 38 -7.333 -5.528 6.779 301 HG21 THR 38 3HG2 THR 38 -7.201 -3.841 5.206 302 HG22 THR 38 1HG2 THR 38 -5.648 -3.667 4.380 303 HG23 THR 38 2HG2 THR 38 -6.756 -4.995 3.936 304 H SER 39 H SER 39 -4.620 -8.552 6.074 305 HA SER 39 HA SER 39 -3.362 -8.152 8.660 306 HB2 SER 39 1HB SER 39 -4.025 -10.689 7.125 307 HB3 SER 39 2HB SER 39 -3.570 -10.596 8.823 308 HG SER 39 HG SER 39 -5.875 -10.738 8.364 309 H LYS 40 H LYS 40 -1.912 -8.397 5.567 310 HA LYS 40 HA LYS 40 0.158 -10.269 6.254 311 HB2 LYS 40 1HB LYS 40 -0.754 -9.822 3.950 312 HB3 LYS 40 2HB LYS 40 0.140 -8.304 3.936 313 HG2 LYS 40 1HG LYS 40 2.227 -9.323 3.852 314 HG3 LYS 40 2HG LYS 40 1.686 -10.789 4.650 315 HD2 LYS 40 1HD LYS 40 1.064 -10.098 1.763 316 HD3 LYS 40 2HD LYS 40 2.329 -11.185 2.335 317 HE2 LYS 40 1HE LYS 40 0.483 -12.528 3.502 318 HE3 LYS 40 2HE LYS 40 -0.685 -11.534 2.618 319 HZ1 LYS 40 3HZ LYS 40 -0.222 -13.564 1.408 320 HZ2 LYS 40 1HZ LYS 40 0.386 -12.312 0.540 321 HZ3 LYS 40 2HZ LYS 40 1.386 -13.279 1.399 322 H THR 41 H THR 41 2.169 -10.058 6.932 323 HA THR 41 HA THR 41 3.487 -7.435 7.337 324 HB THR 41 HB THR 41 4.294 -8.357 9.592 325 HG1 THR 41 1HG THR 41 2.885 -9.879 10.549 326 HG21 THR 41 3HG2 THR 41 2.347 -7.633 10.881 327 HG22 THR 41 1HG2 THR 41 2.739 -6.513 9.590 328 HG23 THR 41 2HG2 THR 41 1.354 -7.620 9.398 329 H ASN 42 H ASN 42 5.694 -7.493 7.598 330 HA ASN 42 HA ASN 42 7.161 -10.011 7.111 331 HB2 ASN 42 1HB ASN 42 7.093 -7.633 5.202 332 HB3 ASN 42 2HB ASN 42 8.439 -8.756 5.245 333 HD21 ASN 42 2HD2 ASN 42 5.163 -8.295 4.148 334 HD22 ASN 42 1HD2 ASN 42 5.061 -9.829 3.286 335 H THR 43 H THR 43 9.011 -10.058 8.274 336 HA THR 43 HA THR 43 9.927 -7.653 9.736 337 HB THR 43 HB THR 43 10.936 -10.516 9.901 338 HG1 THR 43 1HG THR 43 9.408 -10.833 11.371 339 HG21 THR 43 3HG2 THR 43 11.572 -9.792 12.226 340 HG22 THR 43 1HG2 THR 43 12.481 -8.942 10.976 341 HG23 THR 43 2HG2 THR 43 11.135 -8.124 11.800 342 H ASN 44 H ASN 44 11.927 -6.747 9.591 343 HA ASN 44 HA ASN 44 13.518 -7.313 7.125 344 HB2 ASN 44 1HB ASN 44 13.277 -4.776 8.798 345 HB3 ASN 44 2HB ASN 44 14.224 -4.957 7.326 346 HD21 ASN 44 2HD2 ASN 44 10.966 -4.761 8.634 347 HD22 ASN 44 1HD2 ASN 44 10.182 -4.353 7.091 348 H ARG 45 H ARG 45 15.816 -7.000 7.226 349 HA ARG 45 HA ARG 45 17.146 -8.353 9.353 350 HB2 ARG 45 1HB ARG 45 18.352 -6.529 7.228 351 HB3 ARG 45 2HB ARG 45 19.224 -7.712 8.217 352 HG2 ARG 45 1HG ARG 45 17.784 -9.526 7.236 353 HG3 ARG 45 2HG ARG 45 17.058 -8.313 6.163 354 HD2 ARG 45 1HD ARG 45 19.290 -7.810 5.214 355 HD3 ARG 45 2HD ARG 45 20.027 -9.025 6.257 356 HE ARG 45 HE ARG 45 18.439 -9.449 3.829 357 HH11 ARG 45 1HH1 ARG 45 19.678 -11.090 6.712 358 HH12 ARG 45 2HH1 ARG 45 19.536 -12.662 5.984 359 HH21 ARG 45 1HH2 ARG 45 18.278 -11.501 2.960 360 HH22 ARG 45 2HH2 ARG 45 18.752 -12.888 3.893 361 H ASN 46 H ASN 46 16.443 -4.978 8.941 362 HA ASN 46 HA ASN 46 18.253 -3.951 10.964 363 HB2 ASN 46 1HB ASN 46 15.781 -2.728 9.663 364 HB3 ASN 46 2HB ASN 46 16.954 -1.856 10.647 365 HD21 ASN 46 2HD2 ASN 46 19.045 -1.346 9.756 366 HD22 ASN 46 1HD2 ASN 46 19.365 -1.566 8.045 367 H GLY 47 H GLY 47 15.439 -5.802 11.363 368 HA2 GLY 47 1HA GLY 47 14.467 -6.470 13.367 369 HA3 GLY 47 2HA GLY 47 15.176 -5.075 14.213 370 H SER 48 H SER 48 13.728 -3.785 11.519 371 HA SER 48 HA SER 48 11.209 -3.063 12.890 372 HB2 SER 48 1HB SER 48 10.940 -1.566 10.935 373 HB3 SER 48 2HB SER 48 12.441 -1.285 11.821 374 HG SER 48 HG SER 48 12.983 -1.337 9.659 375 H LYS 49 H LYS 49 9.185 -3.178 11.651 376 HA LYS 49 HA LYS 49 9.007 -5.518 9.806 377 HB2 LYS 49 1HB LYS 49 8.342 -5.932 12.299 378 HB3 LYS 49 2HB LYS 49 6.908 -4.984 11.903 379 HG2 LYS 49 1HG LYS 49 6.439 -6.614 10.023 380 HG3 LYS 49 2HG LYS 49 7.756 -7.608 10.649 381 HD2 LYS 49 1HD LYS 49 5.205 -6.799 12.098 382 HD3 LYS 49 2HD LYS 49 5.556 -8.395 11.448 383 HE2 LYS 49 1HE LYS 49 7.171 -7.069 13.669 384 HE3 LYS 49 2HE LYS 49 5.805 -8.145 13.952 385 HZ1 LYS 49 3HZ LYS 49 7.951 -9.314 14.028 386 HZ2 LYS 49 1HZ LYS 49 6.982 -9.923 12.865 387 HZ3 LYS 49 2HZ LYS 49 8.235 -8.968 12.450 388 H ASP 50 H ASP 50 7.365 -5.498 8.366 389 HA ASP 50 HA ASP 50 6.268 -2.860 7.559 390 HB2 ASP 50 1HB ASP 50 6.496 -5.526 6.101 391 HB3 ASP 50 2HB ASP 50 5.905 -4.028 5.416 392 H TYR 51 H TYR 51 4.054 -2.561 7.364 393 HA TYR 51 HA TYR 51 2.187 -4.769 8.150 394 HB2 TYR 51 1HB TYR 51 2.338 -1.915 9.195 395 HB3 TYR 51 2HB TYR 51 1.089 -3.077 9.607 396 HD1 TYR 51 2HD TYR 51 4.661 -2.174 10.019 397 HD2 TYR 51 1HD TYR 51 1.456 -4.736 11.324 398 HE1 TYR 51 2HE TYR 51 5.964 -2.766 12.028 399 HE2 TYR 51 1HE TYR 51 2.753 -5.330 13.363 400 HH TYR 51 HH TYR 51 5.992 -3.933 14.029 401 H GLY 52 H GLY 52 0.086 -4.667 7.406 402 HA2 GLY 52 1HA GLY 52 -1.818 -3.861 6.356 403 HA3 GLY 52 2HA GLY 52 -1.048 -2.271 6.219 404 H LEU 53 H LEU 53 -2.451 -2.603 4.217 405 HA LEU 53 HA LEU 53 -1.724 -4.458 2.237 406 HB2 LEU 53 1HB LEU 53 -3.824 -2.668 2.706 407 HB3 LEU 53 2HB LEU 53 -2.999 -1.850 1.397 408 HG LEU 53 HG LEU 53 -3.045 -4.266 0.252 409 HD11 LEU 53 1HD1 LEU 53 -3.905 -5.421 2.206 410 HD12 LEU 53 2HD1 LEU 53 -5.351 -4.378 2.222 411 HD13 LEU 53 3HD1 LEU 53 -5.098 -5.487 0.887 412 HD21 LEU 53 3HD2 LEU 53 -5.222 -3.765 -0.729 413 HD22 LEU 53 1HD2 LEU 53 -5.505 -2.517 0.517 414 HD23 LEU 53 2HD2 LEU 53 -4.189 -2.309 -0.658 415 H PHE 54 H PHE 54 -0.106 -1.560 2.850 416 HA PHE 54 HA PHE 54 1.323 -1.728 0.222 417 HB2 PHE 54 1HB PHE 54 0.997 0.638 2.093 418 HB3 PHE 54 2HB PHE 54 1.895 0.642 0.590 419 HD1 PHE 54 2HD PHE 54 -1.514 0.387 2.052 420 HD2 PHE 54 1HD PHE 54 0.791 0.890 -1.551 421 HE1 PHE 54 2HE PHE 54 -3.573 1.012 0.836 422 HE2 PHE 54 1HE PHE 54 -1.271 1.560 -2.759 423 HZ PHE 54 HZ PHE 54 -3.454 1.620 -1.576 424 H GLN 55 H GLN 55 1.720 -3.198 2.942 425 HA GLN 55 HA GLN 55 3.340 -3.719 4.436 426 HB2 GLN 55 1HB GLN 55 4.781 -3.693 1.761 427 HB3 GLN 55 2HB GLN 55 5.608 -4.226 3.222 428 HG2 GLN 55 1HG GLN 55 3.350 -5.531 1.770 429 HG3 GLN 55 2HG GLN 55 4.920 -6.173 2.167 430 HE21 GLN 55 2HE2 GLN 55 1.626 -5.737 3.325 431 HE22 GLN 55 1HE2 GLN 55 1.876 -6.507 4.888 432 H ILE 56 H ILE 56 2.922 -1.396 5.244 433 HA ILE 56 HA ILE 56 5.063 0.543 4.736 434 HB ILE 56 HB ILE 56 2.718 0.830 6.663 435 HG12 ILE 56 1HG1 ILE 56 2.897 1.417 3.664 436 HG13 ILE 56 2HG1 ILE 56 1.808 0.238 4.428 437 HG21 ILE 56 1HG2 ILE 56 4.616 2.434 6.826 438 HG22 ILE 56 2HG2 ILE 56 4.325 2.909 5.138 439 HG23 ILE 56 3HG2 ILE 56 3.092 3.186 6.395 440 HD11 ILE 56 3HD1 ILE 56 0.436 2.051 3.890 441 HD12 ILE 56 1HD1 ILE 56 0.741 2.255 5.629 442 HD13 ILE 56 2HD1 ILE 56 1.625 3.233 4.425 443 H ASN 57 H ASN 57 6.766 0.989 6.039 444 HA ASN 57 HA ASN 57 7.251 -0.922 8.193 445 HB2 ASN 57 1HB ASN 57 8.822 -0.553 6.326 446 HB3 ASN 57 2HB ASN 57 9.084 1.103 6.901 447 HD21 ASN 57 2HD2 ASN 57 9.774 -2.293 7.452 448 HD22 ASN 57 1HD2 ASN 57 10.980 -2.018 8.718 449 H ASP 58 H ASP 58 7.551 -0.547 10.264 450 HA ASP 58 HA ASP 58 6.453 1.715 11.501 451 HB2 ASP 58 1HB ASP 58 6.891 0.727 13.547 452 HB3 ASP 58 2HB ASP 58 6.540 -0.579 12.427 453 H ARG 59 H ARG 59 9.637 1.543 10.319 454 HA ARG 59 HA ARG 59 10.902 3.221 12.350 455 HB2 ARG 59 1HB ARG 59 11.975 1.375 11.027 456 HB3 ARG 59 2HB ARG 59 11.943 2.436 9.609 457 HG2 ARG 59 1HG ARG 59 13.420 4.034 10.710 458 HG3 ARG 59 2HG ARG 59 13.240 3.188 12.257 459 HD2 ARG 59 1HD ARG 59 14.273 1.146 11.157 460 HD3 ARG 59 2HD ARG 59 14.634 2.151 9.754 461 HE ARG 59 HE ARG 59 15.680 2.462 12.537 462 HH11 ARG 59 1HH1 ARG 59 16.089 3.339 9.116 463 HH12 ARG 59 2HH1 ARG 59 17.628 4.091 9.414 464 HH21 ARG 59 1HH2 ARG 59 17.681 3.425 12.819 465 HH22 ARG 59 2HH2 ARG 59 18.510 4.141 11.472 466 H TYR 60 H TYR 60 9.012 3.849 9.508 467 HA TYR 60 HA TYR 60 10.114 6.640 9.272 468 HB2 TYR 60 1HB TYR 60 9.209 4.755 7.073 469 HB3 TYR 60 2HB TYR 60 9.885 6.350 6.841 470 HD1 TYR 60 1HD TYR 60 12.314 6.531 8.323 471 HD2 TYR 60 2HD TYR 60 10.609 3.000 6.523 472 HE1 TYR 60 1HE TYR 60 14.565 5.481 8.250 473 HE2 TYR 60 2HE TYR 60 12.854 1.950 6.445 474 HH TYR 60 HH TYR 60 15.095 2.198 6.889 475 H TRP 61 H TRP 61 7.277 4.754 8.130 476 HA TRP 61 HA TRP 61 5.799 7.307 7.844 477 HB2 TRP 61 1HB TRP 61 5.148 4.553 6.837 478 HB3 TRP 61 2HB TRP 61 4.487 6.048 6.240 479 HD1 TRP 61 HD TRP 61 6.908 3.510 5.430 480 HE1 TRP 61 1HE TRP 61 8.651 4.266 3.707 481 HE3 TRP 61 3HE TRP 61 6.004 8.557 5.511 482 HZ2 TRP 61 2HZ TRP 61 9.444 6.715 2.411 483 HZ3 TRP 61 3HZ TRP 61 7.235 10.068 3.984 484 HH2 TRP 61 HH TRP 61 8.950 9.167 2.427 485 H CYS 62 H CYS 62 5.105 4.003 9.104 486 HA CYS 62 HA CYS 62 2.988 5.126 10.868 487 HB2 CYS 62 1HB CYS 62 2.381 2.691 11.171 488 HB3 CYS 62 2HB CYS 62 2.089 3.373 9.590 489 H SER 63 H SER 63 2.865 4.250 13.045 490 HA SER 63 HA SER 63 5.515 3.935 14.399 491 HB2 SER 63 1HB SER 63 4.076 5.917 14.971 492 HB3 SER 63 2HB SER 63 2.809 4.806 15.490 493 HG SER 63 HG SER 63 3.983 5.384 17.293 494 H LYS 64 H LYS 64 5.958 2.136 15.590 495 HA LYS 64 HA LYS 64 3.976 -0.049 15.788 496 HB2 LYS 64 1HB LYS 64 5.889 -1.314 16.748 497 HB3 LYS 64 2HB LYS 64 6.180 -0.712 15.130 498 HG2 LYS 64 1HG LYS 64 7.659 1.003 15.898 499 HG3 LYS 64 2HG LYS 64 7.106 0.868 17.574 500 HD2 LYS 64 1HD LYS 64 8.141 -1.256 17.875 501 HD3 LYS 64 2HD LYS 64 8.540 -1.388 16.137 502 HE2 LYS 64 1HE LYS 64 9.951 0.649 16.324 503 HE3 LYS 64 2HE LYS 64 9.590 0.743 18.055 504 HZ1 LYS 64 3HZ LYS 64 11.718 -0.354 17.652 505 HZ2 LYS 64 1HZ LYS 64 10.681 -1.426 18.320 506 HZ3 LYS 64 2HZ LYS 64 11.015 -1.495 16.717 507 H GLY 65 H GLY 65 4.750 2.578 17.770 508 HA2 GLY 65 1HA GLY 65 4.868 1.230 20.350 509 HA3 GLY 65 2HA GLY 65 4.856 2.966 20.047 510 H ALA 66 H ALA 66 3.502 3.059 21.960 511 HA ALA 66 HA ALA 66 0.841 1.852 21.946 512 HB1 ALA 66 1HB ALA 66 2.208 2.090 23.995 513 HB2 ALA 66 2HB ALA 66 2.130 3.863 23.841 514 HB3 ALA 66 3HB ALA 66 0.652 2.925 24.140 515 H SER 67 H SER 67 1.918 4.450 20.211 516 HA SER 67 HA SER 67 -0.752 5.653 19.942 517 HB2 SER 67 1HB SER 67 0.304 6.758 21.933 518 HB3 SER 67 2HB SER 67 1.624 7.303 20.888 519 HG SER 67 HG SER 67 -0.029 8.900 21.167 520 HA PRO 68 HA PRO 68 0.997 6.378 15.793 521 HB2 PRO 68 1HB PRO 68 -0.682 8.349 14.881 522 HB3 PRO 68 2HB PRO 68 -1.161 6.627 14.995 523 HG2 PRO 68 1HG PRO 68 -1.709 8.840 16.992 524 HG3 PRO 68 2HG PRO 68 -2.864 7.648 16.309 525 HD2 PRO 68 1HD PRO 68 -1.722 7.258 18.720 526 HD3 PRO 68 2HD PRO 68 -1.952 5.887 17.600 527 H GLY 69 H GLY 69 2.481 7.862 14.917 528 HA2 GLY 69 1HA GLY 69 3.015 10.509 15.785 529 HA3 GLY 69 2HA GLY 69 3.785 9.447 16.951 530 H LYS 70 H LYS 70 3.490 8.905 13.472 531 HA LYS 70 HA LYS 70 6.401 9.398 13.016 532 HB2 LYS 70 1HB LYS 70 4.721 6.970 12.342 533 HB3 LYS 70 2HB LYS 70 6.086 7.383 11.315 534 HG2 LYS 70 1HG LYS 70 6.502 7.235 14.318 535 HG3 LYS 70 2HG LYS 70 6.435 5.762 13.375 536 HD2 LYS 70 1HD LYS 70 8.241 6.494 11.930 537 HD3 LYS 70 2HD LYS 70 8.328 8.057 12.780 538 HE2 LYS 70 1HE LYS 70 8.797 6.763 14.915 539 HE3 LYS 70 2HE LYS 70 8.888 5.288 13.942 540 HZ1 LYS 70 3HZ LYS 70 11.085 6.239 14.311 541 HZ2 LYS 70 1HZ LYS 70 10.743 6.314 12.711 542 HZ3 LYS 70 2HZ LYS 70 10.653 7.661 13.638 543 H ASP 71 H ASP 71 6.520 9.213 10.278 544 HA ASP 71 HA ASP 71 5.783 11.829 9.688 545 HB2 ASP 71 1HB ASP 71 7.567 10.465 8.591 546 HB3 ASP 71 2HB ASP 71 6.318 9.647 7.650 547 H CYS 72 H CYS 72 3.796 8.966 9.090 548 HA CYS 72 HA CYS 72 1.744 10.645 7.700 549 HB2 CYS 72 1HB CYS 72 2.084 7.647 7.842 550 HB3 CYS 72 2HB CYS 72 0.822 8.506 6.960 551 H ASN 73 H ASN 73 2.337 10.089 10.820 552 HA ASN 73 HA ASN 73 1.133 10.113 12.714 553 HB2 ASN 73 1HB ASN 73 0.596 12.267 11.560 554 HB3 ASN 73 2HB ASN 73 -0.897 11.544 10.958 555 HD21 ASN 73 2HD2 ASN 73 -2.185 13.122 12.108 556 HD22 ASN 73 1HD2 ASN 73 -2.349 13.042 13.855 557 H VAL 74 H VAL 74 0.982 7.657 11.827 558 HA VAL 74 HA VAL 74 -1.686 6.634 12.553 559 HB VAL 74 HB VAL 74 -1.732 7.054 10.105 560 HG11 VAL 74 1HG1 VAL 74 0.679 6.646 9.582 561 HG12 VAL 74 2HG1 VAL 74 0.419 4.910 9.861 562 HG13 VAL 74 3HG1 VAL 74 -0.423 5.734 8.539 563 HG21 VAL 74 3HG2 VAL 74 -2.620 4.912 9.437 564 HG22 VAL 74 1HG2 VAL 74 -1.804 4.095 10.782 565 HG23 VAL 74 2HG2 VAL 74 -3.105 5.265 11.104 566 H LYS 75 H LYS 75 -1.655 4.588 13.396 567 HA LYS 75 HA LYS 75 0.990 3.543 14.196 568 HB2 LYS 75 1HB LYS 75 -1.144 4.168 15.652 569 HB3 LYS 75 2HB LYS 75 -1.618 2.507 15.284 570 HG2 LYS 75 1HG LYS 75 0.562 1.730 16.267 571 HG3 LYS 75 2HG LYS 75 1.002 3.419 16.552 572 HD2 LYS 75 1HD LYS 75 0.194 2.932 18.628 573 HD3 LYS 75 2HD LYS 75 -1.272 3.526 17.890 574 HE2 LYS 75 1HE LYS 75 -1.858 1.584 19.111 575 HE3 LYS 75 2HE LYS 75 -1.933 1.119 17.405 576 HZ1 LYS 75 3HZ LYS 75 -0.768 -0.508 18.884 577 HZ2 LYS 75 1HZ LYS 75 0.212 0.019 17.680 578 HZ3 LYS 75 2HZ LYS 75 0.401 0.604 19.185 579 H CYS 76 H CYS 76 1.773 1.575 13.630 580 HA CYS 76 HA CYS 76 1.172 0.202 11.308 581 HB2 CYS 76 1HB CYS 76 2.332 -0.913 13.895 582 HB3 CYS 76 2HB CYS 76 2.504 -1.627 12.300 583 H SER 77 H SER 77 -0.240 -0.522 14.517 584 HA SER 77 HA SER 77 -1.536 -2.973 13.708 585 HB2 SER 77 1HB SER 77 -0.938 -2.268 16.052 586 HB3 SER 77 2HB SER 77 -2.321 -1.155 16.004 587 HG SER 77 HG SER 77 -2.843 -3.214 16.944 588 H ASP 78 H ASP 78 -2.614 0.447 13.528 589 HA ASP 78 HA ASP 78 -5.384 -0.217 12.930 590 HB2 ASP 78 1HB ASP 78 -3.735 2.313 12.603 591 HB3 ASP 78 2HB ASP 78 -5.417 2.188 12.116 592 H LEU 79 H LEU 79 -2.496 -0.423 11.090 593 HA LEU 79 HA LEU 79 -3.755 -0.140 8.454 594 HB2 LEU 79 1HB LEU 79 -1.079 -1.449 9.047 595 HB3 LEU 79 2HB LEU 79 -1.649 -0.716 7.556 596 HG LEU 79 HG LEU 79 -0.833 0.751 10.089 597 HD11 LEU 79 1HD1 LEU 79 1.032 -0.110 8.772 598 HD12 LEU 79 2HD1 LEU 79 0.344 0.568 7.284 599 HD13 LEU 79 3HD1 LEU 79 0.934 1.645 8.565 600 HD21 LEU 79 3HD2 LEU 79 -1.143 2.832 8.743 601 HD22 LEU 79 1HD2 LEU 79 -1.921 1.859 7.482 602 HD23 LEU 79 2HD2 LEU 79 -2.672 2.009 9.086 603 H LEU 80 H LEU 80 -3.683 -2.580 10.832 604 HA LEU 80 HA LEU 80 -3.943 -4.831 8.938 605 HB2 LEU 80 1HB LEU 80 -3.914 -4.866 11.968 606 HB3 LEU 80 2HB LEU 80 -3.736 -6.244 10.892 607 HG LEU 80 HG LEU 80 -1.739 -3.975 11.209 608 HD11 LEU 80 1HD1 LEU 80 -1.893 -5.485 13.163 609 HD12 LEU 80 2HD1 LEU 80 -1.635 -6.889 12.104 610 HD13 LEU 80 3HD1 LEU 80 -0.349 -5.685 12.323 611 HD21 LEU 80 3HD2 LEU 80 -0.207 -5.411 9.857 612 HD22 LEU 80 1HD2 LEU 80 -1.564 -6.504 9.519 613 HD23 LEU 80 2HD2 LEU 80 -1.590 -4.822 8.935 614 H THR 81 H THR 81 -6.088 -2.633 9.685 615 HA THR 81 HA THR 81 -8.272 -4.267 10.803 616 HB THR 81 HB THR 81 -9.527 -2.176 10.899 617 HG1 THR 81 1HG THR 81 -7.222 -0.810 10.041 618 HG21 THR 81 3HG2 THR 81 -8.124 -0.967 12.507 619 HG22 THR 81 1HG2 THR 81 -8.082 -2.717 12.784 620 HG23 THR 81 2HG2 THR 81 -6.705 -1.913 12.009 621 H ASP 82 H ASP 82 -10.517 -3.259 9.708 622 HA ASP 82 HA ASP 82 -10.693 -4.877 7.273 623 HB2 ASP 82 1HB ASP 82 -13.047 -4.886 7.777 624 HB3 ASP 82 2HB ASP 82 -12.136 -5.245 9.241 625 H ASP 83 H ASP 83 -10.092 -1.740 7.681 626 HA ASP 83 HA ASP 83 -11.073 -1.121 4.949 627 HB2 ASP 83 1HB ASP 83 -12.589 0.046 6.567 628 HB3 ASP 83 2HB ASP 83 -11.202 0.970 7.143 629 H ILE 84 H ILE 84 -9.480 -0.664 3.721 630 HA ILE 84 HA ILE 84 -6.760 -0.655 4.595 631 HB ILE 84 HB ILE 84 -6.206 -0.598 2.274 632 HG12 ILE 84 1HG1 ILE 84 -9.047 0.359 1.689 633 HG13 ILE 84 2HG1 ILE 84 -7.590 1.351 1.652 634 HG21 ILE 84 1HG2 ILE 84 -7.422 -2.655 3.126 635 HG22 ILE 84 2HG2 ILE 84 -8.906 -2.028 2.403 636 HG23 ILE 84 3HG2 ILE 84 -7.532 -2.442 1.379 637 HD11 ILE 84 3HD1 ILE 84 -8.216 0.798 -0.578 638 HD12 ILE 84 1HD1 ILE 84 -6.660 0.028 -0.175 639 HD13 ILE 84 2HD1 ILE 84 -8.161 -0.938 -0.234 640 H THR 85 H THR 85 -8.934 1.954 4.445 641 HA THR 85 HA THR 85 -7.562 4.049 3.290 642 HB THR 85 HB THR 85 -9.884 4.066 3.931 643 HG1 THR 85 1HG THR 85 -9.924 6.220 4.397 644 HG21 THR 85 3HG2 THR 85 -10.628 4.684 6.148 645 HG22 THR 85 1HG2 THR 85 -9.689 3.190 6.262 646 HG23 THR 85 2HG2 THR 85 -8.957 4.739 6.752 647 H LYS 86 H LYS 86 -6.979 2.886 6.584 648 HA LYS 86 HA LYS 86 -5.338 5.092 7.429 649 HB2 LYS 86 1HB LYS 86 -5.162 2.183 8.329 650 HB3 LYS 86 2HB LYS 86 -4.512 3.592 9.144 651 HG2 LYS 86 1HG LYS 86 -6.372 3.326 10.387 652 HG3 LYS 86 2HG LYS 86 -7.025 4.434 9.182 653 HD2 LYS 86 1HD LYS 86 -8.091 2.566 8.000 654 HD3 LYS 86 2HD LYS 86 -7.227 1.395 9.002 655 HE2 LYS 86 1HE LYS 86 -8.410 2.289 11.013 656 HE3 LYS 86 2HE LYS 86 -9.333 3.378 9.963 657 HZ1 LYS 86 3HZ LYS 86 -10.540 1.306 10.443 658 HZ2 LYS 86 1HZ LYS 86 -10.224 1.410 8.837 659 HZ3 LYS 86 2HZ LYS 86 -9.332 0.413 9.780 660 H ALA 87 H ALA 87 -4.646 2.234 5.493 661 HA ALA 87 HA ALA 87 -1.729 2.770 5.390 662 HB1 ALA 87 1HB ALA 87 -2.723 0.427 5.614 663 HB2 ALA 87 2HB ALA 87 -3.369 0.618 3.968 664 HB3 ALA 87 3HB ALA 87 -1.614 0.651 4.257 665 H ALA 88 H ALA 88 -4.618 2.860 3.282 666 HA ALA 88 HA ALA 88 -3.263 3.535 0.889 667 HB1 ALA 88 1HB ALA 88 -5.597 2.614 1.142 668 HB2 ALA 88 2HB ALA 88 -6.128 4.236 1.665 669 HB3 ALA 88 3HB ALA 88 -5.466 3.985 0.042 670 H LYS 89 H LYS 89 -4.761 5.778 3.309 671 HA LYS 89 HA LYS 89 -4.019 8.169 1.852 672 HB2 LYS 89 1HB LYS 89 -4.710 7.612 4.754 673 HB3 LYS 89 2HB LYS 89 -4.405 9.238 4.117 674 HG2 LYS 89 1HG LYS 89 -6.246 9.029 2.517 675 HG3 LYS 89 2HG LYS 89 -6.570 7.367 3.041 676 HD2 LYS 89 1HD LYS 89 -7.155 8.136 5.288 677 HD3 LYS 89 2HD LYS 89 -6.748 9.814 4.855 678 HE2 LYS 89 1HE LYS 89 -8.510 9.823 3.127 679 HE3 LYS 89 2HE LYS 89 -8.882 8.130 3.472 680 HZ1 LYS 89 3HZ LYS 89 -10.426 9.619 4.599 681 HZ2 LYS 89 1HZ LYS 89 -9.553 8.799 5.712 682 HZ3 LYS 89 2HZ LYS 89 -9.212 10.369 5.394 683 H CYS 90 H CYS 90 -2.304 6.199 4.225 684 HA CYS 90 HA CYS 90 0.005 7.951 4.536 685 HB2 CYS 90 1HB CYS 90 -0.547 6.306 6.195 686 HB3 CYS 90 2HB CYS 90 -0.505 4.993 5.018 687 H ALA 91 H ALA 91 -0.759 5.210 2.339 688 HA ALA 91 HA ALA 91 1.638 5.246 0.847 689 HB1 ALA 91 1HB ALA 91 -0.063 3.450 0.840 690 HB2 ALA 91 2HB ALA 91 -1.174 4.505 -0.045 691 HB3 ALA 91 3HB ALA 91 0.343 3.994 -0.804 692 H LYS 92 H LYS 92 -1.348 7.302 0.308 693 HA LYS 92 HA LYS 92 -0.314 8.598 -2.003 694 HB2 LYS 92 1HB LYS 92 -1.952 9.953 0.175 695 HB3 LYS 92 2HB LYS 92 -1.805 10.433 -1.505 696 HG2 LYS 92 1HG LYS 92 -3.310 8.083 -0.355 697 HG3 LYS 92 2HG LYS 92 -3.947 9.470 -1.164 698 HD2 LYS 92 1HD LYS 92 -2.445 7.132 -2.377 699 HD3 LYS 92 2HD LYS 92 -4.124 7.570 -2.616 700 HE2 LYS 92 1HE LYS 92 -1.720 9.181 -3.604 701 HE3 LYS 92 2HE LYS 92 -2.700 8.094 -4.586 702 HZ1 LYS 92 3HZ LYS 92 -3.376 10.412 -4.849 703 HZ2 LYS 92 1HZ LYS 92 -4.608 9.544 -4.229 704 HZ3 LYS 92 2HZ LYS 92 -3.741 10.542 -3.262 705 H LYS 93 H LYS 93 0.269 9.400 1.453 706 HA LYS 93 HA LYS 93 1.914 11.689 0.848 707 HB2 LYS 93 1HB LYS 93 0.699 11.295 2.995 708 HB3 LYS 93 2HB LYS 93 1.887 10.047 3.408 709 HG2 LYS 93 1HG LYS 93 3.696 11.700 3.381 710 HG3 LYS 93 2HG LYS 93 2.606 12.936 2.728 711 HD2 LYS 93 1HD LYS 93 1.292 12.858 4.849 712 HD3 LYS 93 2HD LYS 93 2.457 11.674 5.497 713 HE2 LYS 93 1HE LYS 93 4.303 13.297 5.140 714 HE3 LYS 93 2HE LYS 93 3.156 14.475 4.489 715 HZ1 LYS 93 3HZ LYS 93 3.626 14.921 6.808 716 HZ2 LYS 93 1HZ LYS 93 2.056 14.477 6.679 717 HZ3 LYS 93 2HZ LYS 93 3.174 13.417 7.257 718 H ILE 94 H ILE 94 2.667 8.289 0.843 719 HA ILE 94 HA ILE 94 5.583 8.755 0.613 720 HB ILE 94 HB ILE 94 3.906 6.270 0.071 721 HG12 ILE 94 1HG1 ILE 94 5.740 6.870 2.425 722 HG13 ILE 94 2HG1 ILE 94 4.010 7.115 2.505 723 HG21 ILE 94 1HG2 ILE 94 5.981 6.270 -1.228 724 HG22 ILE 94 2HG2 ILE 94 6.906 6.779 0.196 725 HG23 ILE 94 3HG2 ILE 94 6.170 5.153 0.123 726 HD11 ILE 94 3HD1 ILE 94 4.469 5.004 3.513 727 HD12 ILE 94 1HD1 ILE 94 3.649 4.688 1.976 728 HD13 ILE 94 2HD1 ILE 94 5.407 4.447 2.118 729 H TYR 95 H TYR 95 2.898 8.010 -1.683 730 HA TYR 95 HA TYR 95 4.480 8.059 -4.011 731 HB2 TYR 95 1HB TYR 95 2.508 7.189 -4.511 732 HB3 TYR 95 2HB TYR 95 1.609 8.160 -3.357 733 HD1 TYR 95 2HD TYR 95 1.009 10.581 -3.971 734 HD2 TYR 95 1HD TYR 95 2.329 7.638 -6.835 735 HE1 TYR 95 2HE TYR 95 0.024 11.931 -5.808 736 HE2 TYR 95 1HE TYR 95 1.367 8.999 -8.677 737 HH TYR 95 HH TYR 95 -0.332 12.104 -8.079 738 H LYS 96 H LYS 96 3.163 10.756 -2.192 739 HA LYS 96 HA LYS 96 3.815 12.945 -3.879 740 HB2 LYS 96 1HB LYS 96 3.620 12.419 -0.907 741 HB3 LYS 96 2HB LYS 96 4.213 13.989 -1.459 742 HG2 LYS 96 1HG LYS 96 2.164 14.270 -2.874 743 HG3 LYS 96 2HG LYS 96 1.511 12.775 -2.190 744 HD2 LYS 96 1HD LYS 96 1.608 13.805 0.089 745 HD3 LYS 96 2HD LYS 96 2.260 15.291 -0.630 746 HE2 LYS 96 1HE LYS 96 0.207 15.487 -2.043 747 HE3 LYS 96 2HE LYS 96 -0.451 14.035 -1.279 748 HZ1 LYS 96 3HZ LYS 96 -1.302 16.054 -0.241 749 HZ2 LYS 96 1HZ LYS 96 -0.414 15.226 0.850 750 HZ3 LYS 96 2HZ LYS 96 0.199 16.566 0.137 751 H ARG 97 H ARG 97 6.036 10.803 -2.262 752 HA ARG 97 HA ARG 97 8.335 12.666 -2.754 753 HB2 ARG 97 1HB ARG 97 8.076 10.339 -0.809 754 HB3 ARG 97 2HB ARG 97 9.496 11.360 -1.011 755 HG2 ARG 97 1HG ARG 97 6.770 12.243 0.039 756 HG3 ARG 97 2HG ARG 97 8.232 11.969 0.987 757 HD2 ARG 97 1HD ARG 97 9.367 13.816 -0.245 758 HD3 ARG 97 2HD ARG 97 7.862 14.121 -1.138 759 HE ARG 97 HE ARG 97 7.341 14.150 1.672 760 HH11 ARG 97 1HH1 ARG 97 8.870 16.189 -0.785 761 HH12 ARG 97 2HH1 ARG 97 8.569 17.649 0.108 762 HH21 ARG 97 1HH2 ARG 97 6.990 16.073 2.775 763 HH22 ARG 97 2HH2 ARG 97 7.519 17.582 2.093 764 H HIS 98 H HIS 98 7.193 9.339 -3.224 765 HA HIS 98 HA HIS 98 9.559 8.788 -5.006 766 HB2 HIS 98 1HB HIS 98 8.141 6.985 -3.006 767 HB3 HIS 98 2HB HIS 98 9.506 6.522 -4.020 768 HD2 HIS 98 2HD HIS 98 8.748 7.898 -0.660 769 HE1 HIS 98 1HE HIS 98 12.870 8.766 -1.264 770 HE2 HIS 98 2HE HIS 98 10.998 8.676 0.461 771 H ARG 99 H ARG 99 6.284 9.065 -5.261 772 HA ARG 99 HA ARG 99 4.509 8.121 -6.134 773 HB2 ARG 99 1HB ARG 99 4.450 7.822 -8.509 774 HB3 ARG 99 2HB ARG 99 5.120 9.344 -7.964 775 HG2 ARG 99 1HG ARG 99 7.026 7.109 -8.610 776 HG3 ARG 99 2HG ARG 99 6.176 7.903 -9.938 777 HD2 ARG 99 1HD ARG 99 7.017 10.112 -9.159 778 HD3 ARG 99 2HD ARG 99 7.910 9.324 -7.872 779 HE ARG 99 HE ARG 99 9.492 8.526 -9.359 780 HH11 ARG 99 1HH1 ARG 99 6.886 9.975 -11.274 781 HH12 ARG 99 2HH1 ARG 99 7.830 9.949 -12.733 782 HH21 ARG 99 1HH2 ARG 99 10.643 8.525 -11.273 783 HH22 ARG 99 2HH2 ARG 99 9.921 9.137 -12.730 784 H PHE 100 H PHE 100 6.997 5.778 -7.204 785 HA PHE 100 HA PHE 100 5.351 3.567 -6.095 786 HB2 PHE 100 1HB PHE 100 6.535 3.547 -8.889 787 HB3 PHE 100 2HB PHE 100 5.682 2.237 -8.082 788 HD1 PHE 100 1HD PHE 100 3.238 2.835 -7.200 789 HD2 PHE 100 2HD PHE 100 5.280 4.825 -10.433 790 HE1 PHE 100 1HE PHE 100 1.065 3.518 -8.147 791 HE2 PHE 100 2HE PHE 100 3.093 5.529 -11.372 792 HZ PHE 100 HZ PHE 100 0.978 4.869 -10.233 793 H ASP 101 H ASP 101 8.441 5.034 -6.448 794 HA ASP 101 HA ASP 101 10.083 2.674 -6.589 795 HB2 ASP 101 1HB ASP 101 10.657 4.879 -7.544 796 HB3 ASP 101 2HB ASP 101 10.724 5.572 -5.925 797 H ALA 102 H ALA 102 8.503 4.121 -3.922 798 HA ALA 102 HA ALA 102 10.364 3.322 -1.826 799 HB1 ALA 102 1HB ALA 102 8.765 5.161 -1.516 800 HB2 ALA 102 2HB ALA 102 7.402 4.039 -1.759 801 HB3 ALA 102 3HB ALA 102 8.459 3.871 -0.344 802 H TRP 103 H TRP 103 8.435 1.491 -3.885 803 HA TRP 103 HA TRP 103 8.295 -0.828 -1.994 804 HB2 TRP 103 1HB TRP 103 6.406 -0.021 -4.243 805 HB3 TRP 103 2HB TRP 103 6.291 -1.501 -3.304 806 HD1 TRP 103 HD TRP 103 5.599 -1.281 -0.720 807 HE1 TRP 103 1HE TRP 103 4.127 0.390 0.495 808 HE3 TRP 103 3HE TRP 103 5.833 2.564 -4.081 809 HZ2 TRP 103 2HZ TRP 103 3.031 3.046 0.004 810 HZ3 TRP 103 3HZ TRP 103 4.550 4.650 -3.698 811 HH2 TRP 103 HH TRP 103 3.108 4.885 -1.687 812 H TYR 104 H TYR 104 8.818 -2.820 -2.711 813 HA TYR 104 HA TYR 104 10.869 -2.747 -4.796 814 HB2 TYR 104 1HB TYR 104 11.170 -3.707 -2.489 815 HB3 TYR 104 2HB TYR 104 10.067 -5.008 -2.931 816 HD1 TYR 104 2HD TYR 104 13.193 -3.270 -4.006 817 HD2 TYR 104 1HD TYR 104 10.956 -6.947 -4.013 818 HE1 TYR 104 2HE TYR 104 15.133 -4.443 -5.073 819 HE2 TYR 104 1HE TYR 104 12.885 -8.132 -5.056 820 HH TYR 104 HH TYR 104 15.031 -7.943 -5.868 821 H GLY 105 H GLY 105 7.772 -4.481 -4.288 822 HA2 GLY 105 1HA GLY 105 8.009 -6.290 -6.473 823 HA3 GLY 105 2HA GLY 105 6.489 -5.757 -5.710 824 H TRP 106 H TRP 106 6.957 -2.899 -6.444 825 HA TRP 106 HA TRP 106 5.773 -2.868 -9.034 826 HB2 TRP 106 1HB TRP 106 5.412 -1.110 -7.441 827 HB3 TRP 106 2HB TRP 106 7.112 -0.642 -7.503 828 HD1 TRP 106 HD TRP 106 3.928 -0.646 -9.669 829 HE1 TRP 106 1HE TRP 106 4.211 0.973 -11.640 830 HE3 TRP 106 3HE TRP 106 8.824 0.639 -8.937 831 HZ2 TRP 106 2HZ TRP 106 6.293 2.680 -12.713 832 HZ3 TRP 106 3HZ TRP 106 9.949 2.230 -10.459 833 HH2 TRP 106 HH TRP 106 8.696 3.267 -12.349 834 H LYS 107 H LYS 107 9.165 -2.426 -8.036 835 HA LYS 107 HA LYS 107 10.009 -2.129 -10.867 836 HB2 LYS 107 1HB LYS 107 12.243 -1.588 -9.841 837 HB3 LYS 107 2HB LYS 107 10.922 -0.450 -9.620 838 HG2 LYS 107 1HG LYS 107 10.558 -1.229 -7.325 839 HG3 LYS 107 2HG LYS 107 11.865 -2.427 -7.497 840 HD2 LYS 107 1HD LYS 107 13.504 -0.635 -7.786 841 HD3 LYS 107 2HD LYS 107 12.213 0.583 -7.861 842 HE2 LYS 107 1HE LYS 107 11.532 0.002 -5.540 843 HE3 LYS 107 2HE LYS 107 12.881 -1.145 -5.435 844 HZ1 LYS 107 3HZ LYS 107 13.371 1.087 -4.496 845 HZ2 LYS 107 1HZ LYS 107 14.406 0.706 -5.714 846 HZ3 LYS 107 2HZ LYS 107 13.177 1.759 -5.974 847 H ASN 108 H ASN 108 9.896 -4.647 -8.511 848 HA ASN 108 HA ASN 108 11.888 -6.276 -9.964 849 HB2 ASN 108 1HB ASN 108 11.838 -6.084 -7.473 850 HB3 ASN 108 2HB ASN 108 10.282 -6.921 -7.469 851 HD21 ASN 108 2HD2 ASN 108 13.702 -7.291 -8.620 852 HD22 ASN 108 1HD2 ASN 108 13.728 -9.030 -8.396 853 H HIS 109 H HIS 109 8.371 -6.048 -9.782 854 HA HIS 109 HA HIS 109 8.149 -8.403 -11.639 855 HB2 HIS 109 1HB HIS 109 6.270 -7.655 -9.366 856 HB3 HIS 109 2HB HIS 109 6.027 -8.948 -10.534 857 HD2 HIS 109 2HD HIS 109 7.380 -8.380 -7.157 858 HE1 HIS 109 1HE HIS 109 9.145 -12.050 -8.388 859 HE2 HIS 109 2HE HIS 109 8.728 -10.509 -6.404 860 H CYS 110 H CYS 110 6.401 -5.418 -10.563 861 HA CYS 110 HA CYS 110 4.448 -5.618 -12.610 862 HB2 CYS 110 1HB CYS 110 5.220 -3.073 -11.167 863 HB3 CYS 110 2HB CYS 110 3.678 -3.472 -11.890 864 H GLN 111 H GLN 111 7.651 -4.630 -13.121 865 HA GLN 111 HA GLN 111 7.168 -2.776 -15.332 866 HB2 GLN 111 1HB GLN 111 9.648 -4.427 -14.678 867 HB3 GLN 111 2HB GLN 111 9.565 -3.059 -15.784 868 HG2 GLN 111 1HG GLN 111 9.193 -2.975 -12.771 869 HG3 GLN 111 2HG GLN 111 10.586 -2.399 -13.667 870 HE21 GLN 111 2HE2 GLN 111 7.798 -1.322 -12.137 871 HE22 GLN 111 1HE2 GLN 111 7.668 0.215 -12.979 872 H GLY 112 H GLY 112 7.124 -6.281 -15.050 873 HA2 GLY 112 1HA GLY 112 7.754 -6.819 -17.849 874 HA3 GLY 112 2HA GLY 112 7.137 -7.968 -16.636 875 H SER 113 H SER 113 4.771 -6.505 -15.969 876 HA SER 113 HA SER 113 3.072 -5.818 -18.163 877 HB2 SER 113 1HB SER 113 3.027 -8.691 -17.181 878 HB3 SER 113 2HB SER 113 1.531 -7.893 -17.666 879 HG SER 113 HG SER 113 3.843 -8.056 -19.323 880 H LEU 114 H LEU 114 1.077 -5.029 -17.412 881 HA LEU 114 HA LEU 114 0.544 -5.157 -14.479 882 HB2 LEU 114 1HB LEU 114 -0.251 -3.096 -16.584 883 HB3 LEU 114 2HB LEU 114 -0.787 -3.082 -14.909 884 HG LEU 114 HG LEU 114 2.126 -2.821 -15.776 885 HD11 LEU 114 1HD1 LEU 114 0.726 -0.922 -16.504 886 HD12 LEU 114 2HD1 LEU 114 0.153 -0.698 -14.834 887 HD13 LEU 114 3HD1 LEU 114 1.870 -0.451 -15.237 888 HD21 LEU 114 3HD2 LEU 114 2.443 -2.032 -13.416 889 HD22 LEU 114 1HD2 LEU 114 0.768 -2.504 -13.060 890 HD23 LEU 114 2HD2 LEU 114 1.968 -3.733 -13.512 891 HA PRO 115 HA PRO 115 -3.162 -7.398 -15.577 892 HB2 PRO 115 1HB PRO 115 -4.762 -6.963 -13.428 893 HB3 PRO 115 2HB PRO 115 -3.259 -7.936 -13.312 894 HG2 PRO 115 1HG PRO 115 -3.647 -5.008 -12.601 895 HG3 PRO 115 2HG PRO 115 -2.864 -6.292 -11.620 896 HD2 PRO 115 1HD PRO 115 -1.436 -4.570 -13.196 897 HD3 PRO 115 2HD PRO 115 -0.938 -6.278 -12.973 898 H ASP 116 H ASP 116 -5.243 -7.039 -16.441 899 HA ASP 116 HA ASP 116 -5.967 -4.272 -17.103 900 HB2 ASP 116 1HB ASP 116 -6.187 -6.029 -18.787 901 HB3 ASP 116 2HB ASP 116 -7.305 -6.916 -17.747 902 H ILE 117 H ILE 117 -7.800 -3.275 -16.551 903 HA ILE 117 HA ILE 117 -9.407 -4.167 -14.185 904 HB ILE 117 HB ILE 117 -9.246 -1.903 -13.253 905 HG12 ILE 117 1HG1 ILE 117 -7.141 -1.332 -15.396 906 HG13 ILE 117 2HG1 ILE 117 -8.803 -0.751 -15.468 907 HG21 ILE 117 1HG2 ILE 117 -7.670 -3.700 -12.517 908 HG22 ILE 117 2HG2 ILE 117 -6.458 -3.074 -13.652 909 HG23 ILE 117 3HG2 ILE 117 -7.021 -2.072 -12.302 910 HD11 ILE 117 3HD1 ILE 117 -7.408 0.991 -14.647 911 HD12 ILE 117 1HD1 ILE 117 -8.486 0.450 -13.339 912 HD13 ILE 117 2HD1 ILE 117 -6.770 -0.051 -13.356 913 H SER 118 H SER 118 -9.530 -3.242 -17.351 914 HA SER 118 HA SER 118 -11.508 -1.241 -17.475 915 HB2 SER 118 1HB SER 118 -11.059 -3.462 -19.502 916 HB3 SER 118 2HB SER 118 -11.791 -1.878 -19.795 917 HG SER 118 HG SER 118 -9.085 -2.544 -19.256 918 H SER 119 H SER 119 -12.044 -4.496 -16.497 919 HA SER 119 HA SER 119 -14.941 -4.514 -17.091 920 HB2 SER 119 1HB SER 119 -14.775 -6.732 -15.933 921 HB3 SER 119 2HB SER 119 -13.768 -6.577 -17.382 922 HG SER 119 HG SER 119 -12.630 -7.545 -15.611 923 H CYS 120 H CYS 120 -12.940 -3.246 -14.634 924 HA CYS 120 HA CYS 120 -14.769 -3.744 -12.385 925 HB2 CYS 120 1HB CYS 120 -12.175 -2.188 -12.517 926 HB3 CYS 120 2HB CYS 120 -13.003 -2.732 -11.062
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