NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
279777 | 2krk | 16640 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -2.391 -36.281 -7.248 2 H2 MET 1 2H MET 1 -2.506 -37.334 -5.932 3 H3 MET 1 3H MET 1 -0.995 -36.978 -6.601 4 HA MET 1 HA MET 1 -2.775 -35.066 -5.208 5 HB2 MET 1 2HB MET 1 -1.781 -36.559 -3.606 6 HB3 MET 1 3HB MET 1 -0.204 -36.426 -4.373 7 HG2 MET 1 2HG MET 1 -0.154 -34.025 -3.735 8 HG3 MET 1 3HG MET 1 -1.665 -34.268 -2.860 9 HE1 MET 1 3HE MET 1 1.137 -33.846 -0.100 10 HE2 MET 1 1HE MET 1 -0.384 -33.201 -0.711 11 HE3 MET 1 2HE MET 1 1.081 -33.070 -1.683 12 H GLY 2 H GLY 2 -2.267 -32.922 -5.385 13 HA2 GLY 2 2HA GLY 2 -0.528 -31.230 -5.330 14 HA3 GLY 2 3HA GLY 2 0.410 -32.217 -6.434 15 H HIS 3 H HIS 3 -0.451 -29.390 -6.578 16 HA HIS 3 HA HIS 3 -2.263 -29.239 -8.831 17 HB2 HIS 3 2HB HIS 3 -0.437 -27.116 -7.666 18 HB3 HIS 3 3HB HIS 3 -1.750 -26.836 -8.805 19 HD1 HIS 3 HD1 HIS 3 -1.025 -27.315 -5.202 20 HD2 HIS 3 HD2 HIS 3 -4.365 -27.060 -7.663 21 HE1 HIS 3 HE1 HIS 3 -2.967 -26.942 -3.661 22 HE2 HIS 3 HE2 HIS 3 -4.944 -26.623 -5.179 23 H HIS 4 H HIS 4 -1.414 -30.326 -10.579 24 HA HIS 4 HA HIS 4 1.416 -30.137 -11.191 25 HB2 HIS 4 2HB HIS 4 -0.791 -31.659 -12.595 26 HB3 HIS 4 3HB HIS 4 0.931 -31.815 -12.925 27 HD1 HIS 4 HD1 HIS 4 -1.030 -34.115 -11.858 28 HD2 HIS 4 HD2 HIS 4 1.735 -31.964 -9.620 29 HE1 HIS 4 HE1 HIS 4 -0.516 -35.550 -9.866 30 HE2 HIS 4 HE2 HIS 4 1.063 -34.179 -8.470 31 H HIS 5 H HIS 5 -1.342 -28.383 -12.102 32 HA HIS 5 HA HIS 5 0.127 -27.283 -14.418 33 HB2 HIS 5 2HB HIS 5 -2.866 -27.694 -14.232 34 HB3 HIS 5 3HB HIS 5 -2.032 -26.876 -15.550 35 HD1 HIS 5 HD1 HIS 5 -0.671 -28.359 -17.195 36 HD2 HIS 5 HD2 HIS 5 -2.704 -30.486 -14.261 37 HE1 HIS 5 HE1 HIS 5 -0.609 -30.754 -17.935 38 HE2 HIS 5 HE2 HIS 5 -1.707 -32.038 -16.073 39 H HIS 6 H HIS 6 -2.794 -26.375 -12.511 40 HA HIS 6 HA HIS 6 -2.179 -23.592 -12.672 41 HB2 HIS 6 2HB HIS 6 -4.077 -25.066 -10.825 42 HB3 HIS 6 3HB HIS 6 -3.977 -23.313 -10.959 43 HD1 HIS 6 HD1 HIS 6 -6.231 -25.675 -11.867 44 HD2 HIS 6 HD2 HIS 6 -4.162 -22.875 -14.131 45 HE1 HIS 6 HE1 HIS 6 -7.602 -25.346 -13.939 46 HE2 HIS 6 HE2 HIS 6 -6.414 -23.538 -15.222 47 H HIS 7 H HIS 7 -0.145 -23.153 -11.868 48 HA HIS 7 HA HIS 7 0.411 -23.843 -9.065 49 HB2 HIS 7 2HB HIS 7 2.761 -23.169 -9.597 50 HB3 HIS 7 3HB HIS 7 2.170 -24.522 -10.552 51 HD1 HIS 7 HD1 HIS 7 3.039 -20.873 -10.851 52 HD2 HIS 7 HD2 HIS 7 2.126 -24.101 -13.299 53 HE1 HIS 7 HE1 HIS 7 3.548 -20.107 -13.184 54 HE2 HIS 7 HE2 HIS 7 2.906 -22.040 -14.657 55 H HIS 8 H HIS 8 -0.772 -22.318 -7.948 56 HA HIS 8 HA HIS 8 -0.353 -19.480 -8.535 57 HB2 HIS 8 2HB HIS 8 -2.653 -20.124 -8.153 58 HB3 HIS 8 3HB HIS 8 -2.237 -20.873 -6.615 59 HD1 HIS 8 HD1 HIS 8 -2.440 -19.434 -4.596 60 HD2 HIS 8 HD2 HIS 8 -2.320 -17.201 -8.101 61 HE1 HIS 8 HE1 HIS 8 -2.857 -17.058 -3.894 62 HE2 HIS 8 HE2 HIS 8 -2.934 -15.756 -6.044 63 H SER 9 H SER 9 1.349 -18.518 -7.639 64 HA SER 9 HA SER 9 2.753 -19.487 -5.375 65 HB2 SER 9 2HB SER 9 4.000 -17.331 -5.503 66 HB3 SER 9 3HB SER 9 3.895 -18.150 -7.060 67 HG SER 9 HG SER 9 2.841 -15.737 -6.258 68 H HIS 10 H HIS 10 2.701 -18.913 -3.251 69 HA HIS 10 HA HIS 10 1.009 -16.688 -2.388 70 HB2 HIS 10 2HB HIS 10 -0.468 -18.662 -2.367 71 HB3 HIS 10 3HB HIS 10 0.667 -19.501 -1.315 72 HD1 HIS 10 HD1 HIS 10 -1.772 -16.612 -1.300 73 HD2 HIS 10 HD2 HIS 10 0.437 -18.905 1.375 74 HE1 HIS 10 HE1 HIS 10 -2.583 -15.958 0.984 75 HE2 HIS 10 HE2 HIS 10 -1.337 -17.459 2.566 76 HA PRO 11 HA PRO 11 4.798 -16.641 0.144 77 HB2 PRO 11 2HB PRO 11 4.916 -13.974 0.468 78 HB3 PRO 11 3HB PRO 11 5.386 -14.746 -1.053 79 HG2 PRO 11 2HG PRO 11 2.812 -13.375 -0.342 80 HG3 PRO 11 3HG PRO 11 3.776 -13.244 -1.827 81 HD2 PRO 11 2HD PRO 11 1.555 -14.835 -1.596 82 HD3 PRO 11 3HD PRO 11 2.891 -15.169 -2.716 83 H ASN 12 H ASN 12 5.184 -16.263 2.358 84 HA ASN 12 HA ASN 12 2.970 -16.430 4.121 85 HB2 ASN 12 2HB ASN 12 5.816 -15.692 4.845 86 HB3 ASN 12 3HB ASN 12 4.605 -16.418 5.898 87 HD21 ASN 12 1HD2 ASN 12 7.239 -17.386 5.252 88 HD22 ASN 12 2HD2 ASN 12 7.030 -18.943 4.532 89 H GLU 13 H GLU 13 3.086 -14.871 6.211 90 HA GLU 13 HA GLU 13 2.007 -12.407 5.469 91 HB2 GLU 13 2HB GLU 13 1.606 -13.397 7.659 92 HB3 GLU 13 3HB GLU 13 3.300 -13.206 8.088 93 HG2 GLU 13 2HG GLU 13 3.000 -10.734 7.856 94 HG3 GLU 13 3HG GLU 13 1.274 -11.022 7.647 95 H GLU 14 H GLU 14 5.204 -12.904 7.004 96 HA GLU 14 HA GLU 14 6.184 -10.319 6.583 97 HB2 GLU 14 2HB GLU 14 7.509 -12.977 7.042 98 HB3 GLU 14 3HB GLU 14 8.484 -11.559 6.694 99 HG2 GLU 14 2HG GLU 14 6.479 -11.651 8.935 100 HG3 GLU 14 3HG GLU 14 8.168 -12.119 9.128 101 H ALA 15 H ALA 15 6.456 -13.204 4.533 102 HA ALA 15 HA ALA 15 8.201 -12.188 2.605 103 HB1 ALA 15 3HB ALA 15 7.610 -14.557 2.775 104 HB2 ALA 15 1HB ALA 15 7.363 -13.950 1.137 105 HB3 ALA 15 2HB ALA 15 5.981 -14.194 2.206 106 H ARG 16 H ARG 16 4.616 -12.117 2.623 107 HA ARG 16 HA ARG 16 4.448 -10.641 0.180 108 HB2 ARG 16 2HB ARG 16 2.089 -10.464 0.584 109 HB3 ARG 16 3HB ARG 16 2.605 -12.085 1.024 110 HG2 ARG 16 2HG ARG 16 2.547 -11.486 3.385 111 HG3 ARG 16 3HG ARG 16 2.086 -9.833 2.967 112 HD2 ARG 16 2HD ARG 16 0.485 -12.340 2.417 113 HD3 ARG 16 3HD ARG 16 0.125 -11.117 3.635 114 HE ARG 16 HE ARG 16 -0.409 -9.593 1.865 115 HH11 ARG 16 1HH1 ARG 16 0.044 -12.854 0.885 116 HH12 ARG 16 2HH1 ARG 16 -0.830 -12.653 -0.593 117 HH21 ARG 16 1HH2 ARG 16 -1.516 -9.340 -0.063 118 HH22 ARG 16 2HH2 ARG 16 -1.684 -10.692 -1.127 119 H LEU 17 H LEU 17 4.562 -9.728 3.588 120 HA LEU 17 HA LEU 17 3.830 -7.011 3.224 121 HB2 LEU 17 2HB LEU 17 3.721 -8.093 5.407 122 HB3 LEU 17 3HB LEU 17 5.464 -8.301 5.415 123 HG LEU 17 HG LEU 17 5.779 -5.881 5.534 124 HD11 LEU 17 1HD1 LEU 17 3.895 -4.361 5.831 125 HD12 LEU 17 2HD1 LEU 17 2.771 -5.694 5.565 126 HD13 LEU 17 3HD1 LEU 17 3.838 -5.162 4.264 127 HD21 LEU 17 3HD2 LEU 17 5.579 -7.117 7.626 128 HD22 LEU 17 1HD2 LEU 17 3.829 -6.900 7.604 129 HD23 LEU 17 2HD2 LEU 17 4.889 -5.502 7.789 130 H ASP 18 H ASP 18 6.945 -8.683 3.108 131 HA ASP 18 HA ASP 18 8.659 -6.503 2.934 132 HB2 ASP 18 2HB ASP 18 8.774 -9.236 1.672 133 HB3 ASP 18 3HB ASP 18 10.064 -8.062 1.448 134 H ILE 19 H ILE 19 6.577 -7.909 0.462 135 HA ILE 19 HA ILE 19 7.541 -6.584 -1.801 136 HB ILE 19 HB ILE 19 4.635 -7.215 -1.207 137 HG12 ILE 19 2HG1 ILE 19 6.755 -8.957 -2.507 138 HG13 ILE 19 3HG1 ILE 19 6.110 -9.183 -0.886 139 HG21 ILE 19 1HG2 ILE 19 4.403 -7.357 -3.648 140 HG22 ILE 19 2HG2 ILE 19 6.093 -6.886 -3.836 141 HG23 ILE 19 3HG2 ILE 19 4.935 -5.753 -3.140 142 HD11 ILE 19 3HD1 ILE 19 4.552 -9.395 -3.455 143 HD12 ILE 19 1HD1 ILE 19 3.898 -9.612 -1.831 144 HD13 ILE 19 2HD1 ILE 19 5.108 -10.735 -2.451 145 H LEU 20 H LEU 20 5.215 -5.484 0.663 146 HA LEU 20 HA LEU 20 4.769 -2.926 -0.547 147 HB2 LEU 20 2HB LEU 20 4.311 -3.800 2.315 148 HB3 LEU 20 3HB LEU 20 3.764 -2.285 1.624 149 HG LEU 20 HG LEU 20 2.514 -3.849 -0.087 150 HD11 LEU 20 1HD1 LEU 20 3.475 -5.945 0.661 151 HD12 LEU 20 2HD1 LEU 20 1.733 -5.938 0.927 152 HD13 LEU 20 3HD1 LEU 20 2.834 -5.688 2.284 153 HD21 LEU 20 3HD2 LEU 20 1.418 -2.291 1.430 154 HD22 LEU 20 1HD2 LEU 20 1.550 -3.457 2.750 155 HD23 LEU 20 2HD2 LEU 20 0.536 -3.816 1.350 156 H LYS 21 H LYS 21 6.871 -4.107 2.067 157 HA LYS 21 HA LYS 21 8.052 -1.714 2.868 158 HB2 LYS 21 2HB LYS 21 9.316 -4.459 2.630 159 HB3 LYS 21 3HB LYS 21 10.042 -3.106 3.485 160 HG2 LYS 21 2HG LYS 21 8.298 -3.117 5.131 161 HG3 LYS 21 3HG LYS 21 7.365 -4.299 4.206 162 HD2 LYS 21 2HD LYS 21 9.149 -5.951 4.523 163 HD3 LYS 21 3HD LYS 21 10.083 -4.778 5.447 164 HE2 LYS 21 2HE LYS 21 8.546 -4.817 7.235 165 HE3 LYS 21 3HE LYS 21 7.307 -5.599 6.262 166 HZ1 LYS 21 3HZ LYS 21 8.237 -7.215 7.712 167 HZ2 LYS 21 1HZ LYS 21 9.817 -6.814 7.263 168 HZ3 LYS 21 2HZ LYS 21 8.796 -7.568 6.150 169 H ILE 22 H ILE 22 8.748 -3.734 0.067 170 HA ILE 22 HA ILE 22 11.089 -2.281 -0.755 171 HB ILE 22 HB ILE 22 9.376 -4.297 -2.229 172 HG12 ILE 22 2HG1 ILE 22 12.097 -4.609 -0.926 173 HG13 ILE 22 3HG1 ILE 22 10.578 -5.135 -0.209 174 HG21 ILE 22 1HG2 ILE 22 12.060 -3.144 -3.003 175 HG22 ILE 22 2HG2 ILE 22 10.528 -2.880 -3.836 176 HG23 ILE 22 3HG2 ILE 22 11.255 -4.486 -3.816 177 HD11 ILE 22 3HD1 ILE 22 11.774 -6.990 -1.208 178 HD12 ILE 22 1HD1 ILE 22 11.774 -6.171 -2.770 179 HD13 ILE 22 2HD1 ILE 22 10.253 -6.704 -2.052 180 H HIS 23 H HIS 23 7.773 -2.535 -2.111 181 HA HIS 23 HA HIS 23 8.388 -0.666 -4.197 182 HB2 HIS 23 2HB HIS 23 5.788 -1.974 -3.391 183 HB3 HIS 23 3HB HIS 23 5.960 -0.916 -4.789 184 HD1 HIS 23 HD1 HIS 23 8.076 -1.801 -6.433 185 HD2 HIS 23 HD2 HIS 23 6.061 -4.574 -4.087 186 HE1 HIS 23 HE1 HIS 23 8.537 -4.028 -7.485 187 HE2 HIS 23 HE2 HIS 23 7.386 -5.703 -6.006 188 H SER 24 H SER 24 7.725 -0.059 -1.007 189 HA SER 24 HA SER 24 6.232 2.417 -1.530 190 HB2 SER 24 2HB SER 24 6.056 2.622 0.909 191 HB3 SER 24 3HB SER 24 5.530 1.022 0.390 192 HG SER 24 HG SER 24 7.138 0.148 1.440 193 H ARG 25 H ARG 25 9.424 1.458 -1.437 194 HA ARG 25 HA ARG 25 10.572 3.543 0.147 195 HB2 ARG 25 2HB ARG 25 11.900 1.720 -1.866 196 HB3 ARG 25 3HB ARG 25 12.721 2.684 -0.644 197 HG2 ARG 25 2HG ARG 25 11.663 1.386 1.125 198 HG3 ARG 25 3HG ARG 25 10.773 0.449 -0.076 199 HD2 ARG 25 2HD ARG 25 12.645 -0.860 0.634 200 HD3 ARG 25 3HD ARG 25 12.971 -0.302 -1.007 201 HE ARG 25 HE ARG 25 14.064 1.296 1.162 202 HH11 ARG 25 1HH1 ARG 25 14.624 -1.141 -1.206 203 HH12 ARG 25 2HH1 ARG 25 16.335 -0.915 -1.185 204 HH21 ARG 25 1HH2 ARG 25 16.252 1.551 1.210 205 HH22 ARG 25 2HH2 ARG 25 17.252 0.571 0.194 206 H LYS 26 H LYS 26 9.136 3.875 -2.803 207 HA LYS 26 HA LYS 26 11.080 5.871 -3.759 208 HB2 LYS 26 2HB LYS 26 8.731 4.598 -5.172 209 HB3 LYS 26 3HB LYS 26 9.728 5.874 -5.859 210 HG2 LYS 26 2HG LYS 26 11.693 4.406 -5.693 211 HG3 LYS 26 3HG LYS 26 10.661 3.124 -5.053 212 HD2 LYS 26 2HD LYS 26 9.346 3.151 -7.130 213 HD3 LYS 26 3HD LYS 26 10.388 4.423 -7.773 214 HE2 LYS 26 2HE LYS 26 10.982 2.201 -8.638 215 HE3 LYS 26 3HE LYS 26 12.295 2.923 -7.713 216 HZ1 LYS 26 3HZ LYS 26 11.897 0.540 -7.240 217 HZ2 LYS 26 1HZ LYS 26 10.384 0.946 -6.598 218 HZ3 LYS 26 2HZ LYS 26 11.798 1.527 -5.871 219 H MET 27 H MET 27 7.806 5.537 -2.542 220 HA MET 27 HA MET 27 7.211 8.358 -3.053 221 HB2 MET 27 2HB MET 27 5.535 6.177 -1.781 222 HB3 MET 27 3HB MET 27 4.985 7.823 -2.070 223 HG2 MET 27 2HG MET 27 5.301 7.492 -4.484 224 HG3 MET 27 3HG MET 27 5.809 5.831 -4.177 225 HE1 MET 27 3HE MET 27 2.501 4.276 -2.691 226 HE2 MET 27 1HE MET 27 3.778 5.055 -1.757 227 HE3 MET 27 2HE MET 27 4.192 3.978 -3.090 228 H ASN 28 H ASN 28 6.725 9.869 -1.390 229 HA ASN 28 HA ASN 28 8.343 9.711 0.927 230 HB2 ASN 28 2HB ASN 28 5.990 11.578 0.587 231 HB3 ASN 28 3HB ASN 28 7.425 11.825 1.576 232 HD21 ASN 28 1HD2 ASN 28 6.028 12.123 -1.522 233 HD22 ASN 28 2HD2 ASN 28 7.391 12.842 -2.310 234 H LEU 29 H LEU 29 7.912 8.117 2.392 235 HA LEU 29 HA LEU 29 5.215 7.471 3.191 236 HB2 LEU 29 2HB LEU 29 7.846 6.644 4.443 237 HB3 LEU 29 3HB LEU 29 6.275 5.943 4.795 238 HG LEU 29 HG LEU 29 7.774 5.767 2.172 239 HD11 LEU 29 1HD1 LEU 29 8.661 4.307 3.906 240 HD12 LEU 29 2HD1 LEU 29 7.844 3.371 2.656 241 HD13 LEU 29 3HD1 LEU 29 7.048 3.657 4.204 242 HD21 LEU 29 3HD2 LEU 29 5.947 4.365 1.381 243 HD22 LEU 29 1HD2 LEU 29 5.356 5.975 1.784 244 HD23 LEU 29 2HD2 LEU 29 5.067 4.629 2.886 245 H THR 30 H THR 30 4.146 8.043 5.084 246 HA THR 30 HA THR 30 4.809 10.540 6.232 247 HB THR 30 HB THR 30 2.485 9.751 6.141 248 HG1 THR 30 HG1 THR 30 1.960 10.752 8.002 249 HG21 THR 30 3HG2 THR 30 2.795 7.393 6.663 250 HG22 THR 30 1HG2 THR 30 1.666 8.124 7.803 251 HG23 THR 30 2HG2 THR 30 3.330 7.805 8.295 252 H ARG 31 H ARG 31 4.657 10.691 8.804 253 HA ARG 31 HA ARG 31 7.235 9.896 9.672 254 HB2 ARG 31 2HB ARG 31 4.973 10.993 11.359 255 HB3 ARG 31 3HB ARG 31 6.692 11.044 11.739 256 HG2 ARG 31 2HG ARG 31 7.069 12.510 9.799 257 HG3 ARG 31 3HG ARG 31 5.344 12.469 9.437 258 HD2 ARG 31 2HD ARG 31 5.766 14.506 10.587 259 HD3 ARG 31 3HD ARG 31 4.945 13.438 11.727 260 HE ARG 31 HE ARG 31 7.734 13.175 12.028 261 HH11 ARG 31 1HH1 ARG 31 5.198 15.430 12.634 262 HH12 ARG 31 2HH1 ARG 31 6.042 16.197 13.933 263 HH21 ARG 31 1HH2 ARG 31 8.792 14.147 13.717 264 HH22 ARG 31 2HH2 ARG 31 8.049 15.479 14.537 265 H GLY 32 H GLY 32 3.994 8.645 10.405 266 HA2 GLY 32 2HA GLY 32 5.301 6.296 11.662 267 HA3 GLY 32 3HA GLY 32 3.886 7.039 12.388 268 H ILE 33 H ILE 33 4.911 5.697 9.225 269 HA ILE 33 HA ILE 33 2.180 5.001 8.566 270 HB ILE 33 HB ILE 33 3.630 5.775 6.782 271 HG12 ILE 33 2HG1 ILE 33 2.955 2.841 6.413 272 HG13 ILE 33 3HG1 ILE 33 1.816 4.170 6.235 273 HG21 ILE 33 1HG2 ILE 33 5.531 4.471 5.972 274 HG22 ILE 33 2HG2 ILE 33 5.314 3.318 7.289 275 HG23 ILE 33 3HG2 ILE 33 5.773 4.985 7.642 276 HD11 ILE 33 3HD1 ILE 33 4.247 3.667 4.533 277 HD12 ILE 33 1HD1 ILE 33 3.150 5.040 4.369 278 HD13 ILE 33 2HD1 ILE 33 2.564 3.403 4.077 279 H ASN 34 H ASN 34 1.183 3.129 8.954 280 HA ASN 34 HA ASN 34 2.763 0.823 9.881 281 HB2 ASN 34 2HB ASN 34 1.015 1.657 11.419 282 HB3 ASN 34 3HB ASN 34 -0.204 1.381 10.184 283 HD21 ASN 34 1HD2 ASN 34 -0.017 0.257 12.856 284 HD22 ASN 34 2HD2 ASN 34 0.038 -1.456 12.661 285 H LEU 35 H LEU 35 3.294 -0.465 8.219 286 HA LEU 35 HA LEU 35 1.398 -0.987 6.054 287 HB2 LEU 35 2HB LEU 35 4.265 -1.846 6.464 288 HB3 LEU 35 3HB LEU 35 3.294 -2.298 5.074 289 HG LEU 35 HG LEU 35 4.083 0.527 5.826 290 HD11 LEU 35 1HD1 LEU 35 5.972 -0.774 5.000 291 HD12 LEU 35 2HD1 LEU 35 5.483 0.440 3.820 292 HD13 LEU 35 3HD1 LEU 35 5.041 -1.251 3.581 293 HD21 LEU 35 3HD2 LEU 35 1.904 0.477 4.737 294 HD22 LEU 35 1HD2 LEU 35 2.558 -0.512 3.430 295 HD23 LEU 35 2HD2 LEU 35 3.120 1.144 3.650 296 H ARG 36 H ARG 36 2.573 -2.468 8.951 297 HA ARG 36 HA ARG 36 2.157 -5.179 8.526 298 HB2 ARG 36 2HB ARG 36 3.111 -4.351 10.593 299 HB3 ARG 36 3HB ARG 36 1.630 -3.493 10.985 300 HG2 ARG 36 2HG ARG 36 1.805 -5.463 12.353 301 HG3 ARG 36 3HG ARG 36 0.464 -5.656 11.225 302 HD2 ARG 36 2HD ARG 36 1.769 -7.715 11.419 303 HD3 ARG 36 3HD ARG 36 1.861 -7.052 9.787 304 HE ARG 36 HE ARG 36 4.032 -6.109 11.308 305 HH11 ARG 36 1HH1 ARG 36 2.877 -9.042 9.943 306 HH12 ARG 36 2HH1 ARG 36 4.461 -9.664 9.666 307 HH21 ARG 36 1HH2 ARG 36 6.054 -6.913 10.950 308 HH22 ARG 36 2HH2 ARG 36 6.243 -8.462 10.202 309 H LYS 37 H LYS 37 -0.211 -2.800 9.702 310 HA LYS 37 HA LYS 37 -2.452 -4.439 9.856 311 HB2 LYS 37 2HB LYS 37 -2.130 -2.049 10.699 312 HB3 LYS 37 3HB LYS 37 -2.491 -1.511 9.070 313 HG2 LYS 37 2HG LYS 37 -4.406 -3.224 10.631 314 HG3 LYS 37 3HG LYS 37 -4.373 -1.473 10.803 315 HD2 LYS 37 2HD LYS 37 -4.733 -2.871 8.160 316 HD3 LYS 37 3HD LYS 37 -6.082 -2.380 9.181 317 HE2 LYS 37 2HE LYS 37 -3.980 -0.525 8.058 318 HE3 LYS 37 3HE LYS 37 -5.582 -0.771 7.368 319 HZ1 LYS 37 3HZ LYS 37 -5.598 1.190 8.705 320 HZ2 LYS 37 1HZ LYS 37 -4.964 0.366 10.042 321 HZ3 LYS 37 2HZ LYS 37 -6.522 0.013 9.488 322 H ILE 38 H ILE 38 -1.022 -2.852 7.062 323 HA ILE 38 HA ILE 38 -3.253 -3.085 5.311 324 HB ILE 38 HB ILE 38 -0.321 -2.824 4.592 325 HG12 ILE 38 2HG1 ILE 38 -1.047 -0.999 6.062 326 HG13 ILE 38 3HG1 ILE 38 -0.792 -0.402 4.427 327 HG21 ILE 38 1HG2 ILE 38 -1.689 -3.559 2.706 328 HG22 ILE 38 2HG2 ILE 38 -1.139 -1.900 2.472 329 HG23 ILE 38 3HG2 ILE 38 -2.801 -2.215 2.973 330 HD11 ILE 38 3HD1 ILE 38 -3.442 -1.015 5.714 331 HD12 ILE 38 1HD1 ILE 38 -3.221 -0.493 4.044 332 HD13 ILE 38 2HD1 ILE 38 -2.775 0.579 5.370 333 H ALA 39 H ALA 39 -0.227 -4.990 5.543 334 HA ALA 39 HA ALA 39 -0.845 -6.843 3.523 335 HB1 ALA 39 3HB ALA 39 0.909 -8.238 4.463 336 HB2 ALA 39 1HB ALA 39 0.880 -7.308 5.961 337 HB3 ALA 39 2HB ALA 39 1.409 -6.548 4.461 338 H GLU 40 H GLU 40 -1.708 -6.796 6.932 339 HA GLU 40 HA GLU 40 -2.673 -9.449 7.140 340 HB2 GLU 40 2HB GLU 40 -3.439 -6.974 8.711 341 HB3 GLU 40 3HB GLU 40 -3.861 -8.621 9.162 342 HG2 GLU 40 2HG GLU 40 -1.475 -9.167 9.367 343 HG3 GLU 40 3HG GLU 40 -1.066 -7.505 8.943 344 H LEU 41 H LEU 41 -4.036 -6.612 5.706 345 HA LEU 41 HA LEU 41 -6.779 -7.515 5.818 346 HB2 LEU 41 2HB LEU 41 -5.506 -5.279 4.232 347 HB3 LEU 41 3HB LEU 41 -7.231 -5.570 4.356 348 HG LEU 41 HG LEU 41 -5.409 -4.811 6.650 349 HD11 LEU 41 1HD1 LEU 41 -6.567 -2.669 6.602 350 HD12 LEU 41 2HD1 LEU 41 -7.514 -3.193 5.211 351 HD13 LEU 41 3HD1 LEU 41 -5.770 -2.979 5.061 352 HD21 LEU 41 3HD2 LEU 41 -7.266 -6.234 7.381 353 HD22 LEU 41 1HD2 LEU 41 -8.412 -5.158 6.580 354 HD23 LEU 41 2HD2 LEU 41 -7.467 -4.578 7.953 355 H MET 42 H MET 42 -4.155 -8.378 3.886 356 HA MET 42 HA MET 42 -5.856 -8.920 1.529 357 HB2 MET 42 2HB MET 42 -2.836 -8.784 1.660 358 HB3 MET 42 3HB MET 42 -3.810 -8.988 0.209 359 HG2 MET 42 2HG MET 42 -4.785 -6.755 0.580 360 HG3 MET 42 3HG MET 42 -3.744 -6.556 1.989 361 HE1 MET 42 3HE MET 42 -2.965 -8.232 -1.499 362 HE2 MET 42 1HE MET 42 -2.230 -6.881 -2.360 363 HE3 MET 42 2HE MET 42 -3.936 -6.819 -1.913 364 HA PRO 43 HA PRO 43 -4.941 -13.234 2.836 365 HB2 PRO 43 2HB PRO 43 -7.424 -14.215 2.686 366 HB3 PRO 43 3HB PRO 43 -6.921 -13.227 4.063 367 HG2 PRO 43 2HG PRO 43 -8.555 -12.457 1.676 368 HG3 PRO 43 3HG PRO 43 -8.772 -12.003 3.375 369 HD2 PRO 43 2HD PRO 43 -7.542 -10.425 1.445 370 HD3 PRO 43 3HD PRO 43 -7.334 -10.241 3.196 371 H GLY 44 H GLY 44 -4.341 -14.797 1.399 372 HA2 GLY 44 2HA GLY 44 -4.342 -16.132 -0.494 373 HA3 GLY 44 3HA GLY 44 -5.824 -15.349 -1.004 374 H ALA 45 H ALA 45 -5.129 -12.761 -1.347 375 HA ALA 45 HA ALA 45 -4.319 -12.566 -3.919 376 HB1 ALA 45 3HB ALA 45 -3.910 -10.194 -3.531 377 HB2 ALA 45 1HB ALA 45 -3.825 -10.487 -1.792 378 HB3 ALA 45 2HB ALA 45 -5.340 -10.747 -2.659 379 H SER 46 H SER 46 -2.492 -12.241 -5.114 380 HA SER 46 HA SER 46 0.030 -13.053 -3.873 381 HB2 SER 46 2HB SER 46 0.832 -13.440 -6.130 382 HB3 SER 46 3HB SER 46 -0.761 -14.169 -5.963 383 HG SER 46 HG SER 46 -1.580 -12.170 -6.949 384 H GLY 47 H GLY 47 1.990 -11.990 -5.287 385 HA2 GLY 47 2HA GLY 47 2.309 -9.405 -4.188 386 HA3 GLY 47 3HA GLY 47 3.386 -10.176 -5.339 387 H ALA 48 H ALA 48 1.299 -10.441 -7.402 388 HA ALA 48 HA ALA 48 1.643 -8.044 -8.799 389 HB1 ALA 48 3HB ALA 48 -0.562 -10.079 -9.157 390 HB2 ALA 48 1HB ALA 48 1.044 -10.159 -9.881 391 HB3 ALA 48 2HB ALA 48 -0.067 -8.868 -10.341 392 H GLU 49 H GLU 49 -1.224 -9.162 -6.984 393 HA GLU 49 HA GLU 49 -2.746 -6.810 -7.259 394 HB2 GLU 49 2HB GLU 49 -2.767 -8.909 -5.075 395 HB3 GLU 49 3HB GLU 49 -3.939 -7.605 -5.177 396 HG2 GLU 49 2HG GLU 49 -4.978 -9.504 -6.101 397 HG3 GLU 49 3HG GLU 49 -4.554 -8.465 -7.457 398 H VAL 50 H VAL 50 -0.300 -7.752 -4.891 399 HA VAL 50 HA VAL 50 -0.589 -5.594 -3.109 400 HB VAL 50 HB VAL 50 1.918 -7.148 -3.792 401 HG11 VAL 50 1HG1 VAL 50 1.310 -5.366 -1.429 402 HG12 VAL 50 2HG1 VAL 50 2.493 -5.058 -2.701 403 HG13 VAL 50 3HG1 VAL 50 2.729 -6.402 -1.584 404 HG21 VAL 50 3HG2 VAL 50 1.395 -8.468 -1.801 405 HG22 VAL 50 1HG2 VAL 50 0.087 -8.567 -2.979 406 HG23 VAL 50 2HG2 VAL 50 -0.083 -7.537 -1.557 407 H LYS 51 H LYS 51 1.424 -5.911 -6.034 408 HA LYS 51 HA LYS 51 2.672 -3.384 -5.901 409 HB2 LYS 51 2HB LYS 51 3.003 -5.468 -7.533 410 HB3 LYS 51 3HB LYS 51 1.920 -4.551 -8.564 411 HG2 LYS 51 2HG LYS 51 4.539 -3.533 -7.458 412 HG3 LYS 51 3HG LYS 51 4.314 -4.190 -9.076 413 HD2 LYS 51 2HD LYS 51 2.903 -1.740 -7.992 414 HD3 LYS 51 3HD LYS 51 4.342 -1.706 -9.011 415 HE2 LYS 51 2HE LYS 51 3.103 -2.827 -10.801 416 HE3 LYS 51 3HE LYS 51 1.665 -2.877 -9.783 417 HZ1 LYS 51 3HZ LYS 51 3.026 -0.407 -10.716 418 HZ2 LYS 51 1HZ LYS 51 1.629 -0.466 -9.768 419 HZ3 LYS 51 2HZ LYS 51 1.597 -1.039 -11.357 420 H GLY 52 H GLY 52 -0.404 -4.443 -7.336 421 HA2 GLY 52 2HA GLY 52 -1.282 -2.024 -8.425 422 HA3 GLY 52 3HA GLY 52 -2.336 -3.280 -7.788 423 H VAL 53 H VAL 53 -1.697 -3.253 -5.103 424 HA VAL 53 HA VAL 53 -3.173 -1.132 -4.043 425 HB VAL 53 HB VAL 53 -1.109 -2.874 -2.671 426 HG11 VAL 53 1HG1 VAL 53 -2.216 -2.255 -0.564 427 HG12 VAL 53 2HG1 VAL 53 -3.241 -1.119 -1.441 428 HG13 VAL 53 3HG1 VAL 53 -1.501 -0.852 -1.359 429 HG21 VAL 53 3HG2 VAL 53 -2.959 -4.132 -3.670 430 HG22 VAL 53 1HG2 VAL 53 -4.119 -3.120 -2.809 431 HG23 VAL 53 2HG2 VAL 53 -3.034 -4.181 -1.909 432 H CYS 54 H CYS 54 0.357 -1.527 -4.283 433 HA CYS 54 HA CYS 54 1.131 0.818 -2.953 434 HB2 CYS 54 2HB CYS 54 2.535 -0.576 -5.250 435 HB3 CYS 54 3HB CYS 54 3.272 0.597 -4.164 436 HG CYS 54 HG CYS 54 1.924 -2.280 -2.925 437 H THR 55 H THR 55 0.396 0.284 -6.386 438 HA THR 55 HA THR 55 0.938 2.932 -7.259 439 HB THR 55 HB THR 55 -0.852 0.804 -8.465 440 HG1 THR 55 HG1 THR 55 1.645 1.658 -9.485 441 HG21 THR 55 3HG2 THR 55 0.120 3.396 -9.687 442 HG22 THR 55 1HG2 THR 55 -1.550 3.006 -9.272 443 HG23 THR 55 2HG2 THR 55 -0.727 2.113 -10.553 444 H GLU 56 H GLU 56 -2.122 1.311 -6.418 445 HA GLU 56 HA GLU 56 -3.817 3.489 -6.934 446 HB2 GLU 56 2HB GLU 56 -4.185 1.147 -5.055 447 HB3 GLU 56 3HB GLU 56 -5.465 2.268 -5.503 448 HG2 GLU 56 2HG GLU 56 -3.931 0.659 -7.537 449 HG3 GLU 56 3HG GLU 56 -5.385 0.058 -6.745 450 H ALA 57 H ALA 57 -2.017 2.615 -4.026 451 HA ALA 57 HA ALA 57 -3.154 4.388 -2.190 452 HB1 ALA 57 3HB ALA 57 -0.242 3.597 -2.395 453 HB2 ALA 57 1HB ALA 57 -1.506 2.659 -1.597 454 HB3 ALA 57 2HB ALA 57 -1.051 4.241 -0.966 455 H GLY 58 H GLY 58 -0.434 4.955 -4.447 456 HA2 GLY 58 2HA GLY 58 0.009 7.662 -3.815 457 HA3 GLY 58 3HA GLY 58 0.399 6.902 -5.351 458 H MET 59 H MET 59 -2.303 6.166 -6.029 459 HA MET 59 HA MET 59 -3.257 8.507 -7.282 460 HB2 MET 59 2HB MET 59 -4.796 5.972 -6.648 461 HB3 MET 59 3HB MET 59 -5.233 7.174 -7.853 462 HG2 MET 59 2HG MET 59 -2.567 5.880 -8.097 463 HG3 MET 59 3HG MET 59 -3.990 4.918 -8.480 464 HE1 MET 59 3HE MET 59 -2.733 8.756 -10.750 465 HE2 MET 59 1HE MET 59 -1.785 8.016 -9.461 466 HE3 MET 59 2HE MET 59 -3.308 8.822 -9.083 467 H TYR 60 H TYR 60 -4.319 6.815 -4.331 468 HA TYR 60 HA TYR 60 -6.426 8.577 -3.660 469 HB2 TYR 60 2HB TYR 60 -4.780 6.645 -2.034 470 HB3 TYR 60 3HB TYR 60 -5.995 7.666 -1.275 471 HD1 TYR 60 HD2 TYR 60 -8.394 7.528 -2.203 472 HD2 TYR 60 HD1 TYR 60 -5.413 4.594 -3.000 473 HE1 TYR 60 HE2 TYR 60 -10.148 5.904 -2.770 474 HE2 TYR 60 HE1 TYR 60 -7.164 2.966 -3.570 475 HH TYR 60 HH TYR 60 -9.599 2.616 -3.005 476 H ALA 61 H ALA 61 -2.974 8.663 -2.958 477 HA ALA 61 HA ALA 61 -3.024 10.853 -1.176 478 HB1 ALA 61 3HB ALA 61 -1.084 9.377 -1.427 479 HB2 ALA 61 1HB ALA 61 -0.641 11.069 -1.656 480 HB3 ALA 61 2HB ALA 61 -0.813 10.005 -3.053 481 H LEU 62 H LEU 62 -2.531 10.738 -4.706 482 HA LEU 62 HA LEU 62 -2.026 13.449 -5.122 483 HB2 LEU 62 2HB LEU 62 -3.294 11.429 -6.969 484 HB3 LEU 62 3HB LEU 62 -2.753 13.020 -7.477 485 HG LEU 62 HG LEU 62 -0.990 10.822 -6.368 486 HD11 LEU 62 1HD1 LEU 62 -1.201 11.944 -9.162 487 HD12 LEU 62 2HD1 LEU 62 -1.785 10.367 -8.633 488 HD13 LEU 62 3HD1 LEU 62 -0.057 10.715 -8.616 489 HD21 LEU 62 3HD2 LEU 62 -0.139 12.998 -5.714 490 HD22 LEU 62 1HD2 LEU 62 -0.275 13.581 -7.374 491 HD23 LEU 62 2HD2 LEU 62 0.877 12.307 -6.976 492 H ARG 63 H ARG 63 -5.195 11.783 -5.165 493 HA ARG 63 HA ARG 63 -6.703 14.027 -5.946 494 HB2 ARG 63 2HB ARG 63 -8.623 12.823 -4.700 495 HB3 ARG 63 3HB ARG 63 -7.886 12.030 -6.083 496 HG2 ARG 63 2HG ARG 63 -6.747 10.488 -4.747 497 HG3 ARG 63 3HG ARG 63 -6.971 11.454 -3.289 498 HD2 ARG 63 2HD ARG 63 -9.275 10.226 -4.790 499 HD3 ARG 63 3HD ARG 63 -8.412 9.374 -3.509 500 HE ARG 63 HE ARG 63 -10.157 11.691 -3.202 501 HH11 ARG 63 1HH1 ARG 63 -7.948 9.483 -1.752 502 HH12 ARG 63 2HH1 ARG 63 -8.458 9.857 -0.146 503 HH21 ARG 63 1HH2 ARG 63 -10.784 12.178 -1.147 504 HH22 ARG 63 2HH2 ARG 63 -10.039 11.377 0.194 505 H GLU 64 H GLU 64 -5.551 13.083 -2.731 506 HA GLU 64 HA GLU 64 -6.806 15.479 -1.581 507 HB2 GLU 64 2HB GLU 64 -5.398 13.125 -0.315 508 HB3 GLU 64 3HB GLU 64 -5.786 14.579 0.596 509 HG2 GLU 64 2HG GLU 64 -8.198 14.209 -0.166 510 HG3 GLU 64 3HG GLU 64 -7.672 12.599 -0.655 511 H ARG 65 H ARG 65 -4.280 15.196 -3.407 512 HA ARG 65 HA ARG 65 -2.301 16.251 -3.739 513 HB2 ARG 65 2HB ARG 65 -3.472 18.222 -1.762 514 HB3 ARG 65 3HB ARG 65 -2.038 18.522 -2.731 515 HG2 ARG 65 2HG ARG 65 -3.738 19.606 -3.896 516 HG3 ARG 65 3HG ARG 65 -3.541 18.084 -4.766 517 HD2 ARG 65 2HD ARG 65 -5.456 17.158 -3.493 518 HD3 ARG 65 3HD ARG 65 -5.672 18.727 -2.721 519 HE ARG 65 HE ARG 65 -5.966 18.279 -5.624 520 HH11 ARG 65 1HH1 ARG 65 -6.872 19.893 -2.722 521 HH12 ARG 65 2HH1 ARG 65 -8.237 20.665 -3.449 522 HH21 ARG 65 1HH2 ARG 65 -7.710 19.289 -6.551 523 HH22 ARG 65 2HH2 ARG 65 -8.704 20.329 -5.594 524 H ARG 66 H ARG 66 -2.505 14.292 -1.497 525 HA ARG 66 HA ARG 66 -0.794 15.077 0.628 526 HB2 ARG 66 2HB ARG 66 -1.471 12.315 -0.415 527 HB3 ARG 66 3HB ARG 66 -0.654 12.642 1.107 528 HG2 ARG 66 2HG ARG 66 -2.631 13.775 1.954 529 HG3 ARG 66 3HG ARG 66 -3.451 13.537 0.408 530 HD2 ARG 66 2HD ARG 66 -3.443 11.149 0.703 531 HD3 ARG 66 3HD ARG 66 -2.430 11.281 2.142 532 HE ARG 66 HE ARG 66 -4.890 12.711 2.410 533 HH11 ARG 66 1HH1 ARG 66 -3.577 9.517 2.510 534 HH12 ARG 66 2HH1 ARG 66 -4.703 8.992 3.713 535 HH21 ARG 66 1HH2 ARG 66 -6.335 11.996 3.917 536 HH22 ARG 66 2HH2 ARG 66 -6.234 10.374 4.511 537 H VAL 67 H VAL 67 1.335 15.516 0.462 538 HA VAL 67 HA VAL 67 2.940 14.432 -1.692 539 HB VAL 67 HB VAL 67 3.826 16.061 0.706 540 HG11 VAL 67 1HG1 VAL 67 5.837 16.533 -0.615 541 HG12 VAL 67 2HG1 VAL 67 5.255 15.464 -1.892 542 HG13 VAL 67 3HG1 VAL 67 5.666 14.804 -0.309 543 HG21 VAL 67 3HG2 VAL 67 2.212 17.289 -0.649 544 HG22 VAL 67 1HG2 VAL 67 3.143 16.938 -2.108 545 HG23 VAL 67 2HG2 VAL 67 3.825 17.971 -0.852 546 H HIS 68 H HIS 68 2.638 13.943 1.821 547 HA HIS 68 HA HIS 68 4.340 11.551 1.547 548 HB2 HIS 68 2HB HIS 68 4.599 11.546 3.968 549 HB3 HIS 68 3HB HIS 68 5.076 13.099 3.300 550 HD1 HIS 68 HD1 HIS 68 3.707 15.153 4.000 551 HD2 HIS 68 HD2 HIS 68 2.320 11.592 5.625 552 HE1 HIS 68 HE1 HIS 68 2.140 15.819 5.839 553 HE2 HIS 68 HE2 HIS 68 1.457 13.656 6.923 554 H VAL 69 H VAL 69 3.402 9.671 1.363 555 HA VAL 69 HA VAL 69 0.573 9.339 1.579 556 HB VAL 69 HB VAL 69 2.700 7.215 1.181 557 HG11 VAL 69 1HG1 VAL 69 -0.252 7.181 0.527 558 HG12 VAL 69 2HG1 VAL 69 0.535 6.285 1.826 559 HG13 VAL 69 3HG1 VAL 69 0.905 5.905 0.146 560 HG21 VAL 69 3HG2 VAL 69 2.881 8.972 -0.514 561 HG22 VAL 69 1HG2 VAL 69 1.167 8.802 -0.890 562 HG23 VAL 69 2HG2 VAL 69 2.280 7.473 -1.223 563 H THR 70 H THR 70 -0.626 8.165 3.045 564 HA THR 70 HA THR 70 0.732 7.418 5.571 565 HB THR 70 HB THR 70 -1.325 7.854 6.748 566 HG1 THR 70 HG1 THR 70 -2.467 8.297 4.165 567 HG21 THR 70 3HG2 THR 70 0.035 9.841 6.288 568 HG22 THR 70 1HG2 THR 70 -1.683 10.246 6.301 569 HG23 THR 70 2HG2 THR 70 -0.825 10.088 4.768 570 H GLN 71 H GLN 71 -1.046 5.844 6.796 571 HA GLN 71 HA GLN 71 -0.989 3.383 5.352 572 HB2 GLN 71 2HB GLN 71 -0.814 3.224 7.714 573 HB3 GLN 71 3HB GLN 71 -2.233 4.231 7.968 574 HG2 GLN 71 2HG GLN 71 -3.639 2.435 7.016 575 HG3 GLN 71 3HG GLN 71 -2.202 1.425 6.872 576 HE21 GLN 71 1HE2 GLN 71 -1.421 0.409 8.652 577 HE22 GLN 71 2HE2 GLN 71 -2.198 0.452 10.197 578 H GLU 72 H GLU 72 -3.421 5.862 5.884 579 HA GLU 72 HA GLU 72 -5.772 4.490 5.306 580 HB2 GLU 72 2HB GLU 72 -5.145 7.349 4.527 581 HB3 GLU 72 3HB GLU 72 -6.745 6.651 4.753 582 HG2 GLU 72 2HG GLU 72 -6.218 6.290 7.139 583 HG3 GLU 72 3HG GLU 72 -4.654 7.067 6.886 584 H ASP 73 H ASP 73 -3.563 6.136 3.071 585 HA ASP 73 HA ASP 73 -5.032 5.802 0.720 586 HB2 ASP 73 2HB ASP 73 -2.012 5.802 0.964 587 HB3 ASP 73 3HB ASP 73 -2.966 6.285 -0.437 588 H PHE 74 H PHE 74 -2.640 3.655 2.240 589 HA PHE 74 HA PHE 74 -2.608 1.699 0.184 590 HB2 PHE 74 2HB PHE 74 -1.779 1.623 3.084 591 HB3 PHE 74 3HB PHE 74 -1.654 0.208 2.045 592 HD1 PHE 74 HD2 PHE 74 -0.069 0.163 0.185 593 HD2 PHE 74 HD1 PHE 74 -0.273 3.490 2.837 594 HE1 PHE 74 HE2 PHE 74 2.116 0.943 -0.630 595 HE2 PHE 74 HE1 PHE 74 1.913 4.272 2.026 596 HZ PHE 74 HZ PHE 74 3.112 2.998 0.291 597 H GLU 75 H GLU 75 -4.392 1.761 3.314 598 HA GLU 75 HA GLU 75 -5.627 -0.757 2.873 599 HB2 GLU 75 2HB GLU 75 -7.183 -0.122 4.700 600 HB3 GLU 75 3HB GLU 75 -5.490 0.085 5.117 601 HG2 GLU 75 2HG GLU 75 -5.678 2.490 4.750 602 HG3 GLU 75 3HG GLU 75 -7.372 2.296 4.298 603 H MET 76 H MET 76 -6.703 2.550 2.152 604 HA MET 76 HA MET 76 -9.227 1.899 1.075 605 HB2 MET 76 2HB MET 76 -7.306 4.158 0.494 606 HB3 MET 76 3HB MET 76 -8.866 4.033 -0.303 607 HG2 MET 76 2HG MET 76 -8.461 4.211 2.678 608 HG3 MET 76 3HG MET 76 -8.878 5.564 1.628 609 HE1 MET 76 3HE MET 76 -12.442 4.511 0.345 610 HE2 MET 76 1HE MET 76 -10.899 4.155 -0.432 611 HE3 MET 76 2HE MET 76 -11.179 5.742 0.286 612 H ALA 77 H ALA 77 -5.988 1.863 -0.319 613 HA ALA 77 HA ALA 77 -6.734 1.227 -2.977 614 HB1 ALA 77 3HB ALA 77 -4.509 2.051 -2.423 615 HB2 ALA 77 1HB ALA 77 -4.409 0.499 -3.256 616 HB3 ALA 77 2HB ALA 77 -4.176 0.580 -1.507 617 H VAL 78 H VAL 78 -5.803 -0.857 -0.226 618 HA VAL 78 HA VAL 78 -5.993 -3.350 -1.442 619 HB VAL 78 HB VAL 78 -6.749 -2.608 1.399 620 HG11 VAL 78 1HG1 VAL 78 -7.725 -4.768 0.806 621 HG12 VAL 78 2HG1 VAL 78 -6.393 -4.980 1.942 622 HG13 VAL 78 3HG1 VAL 78 -6.157 -5.336 0.229 623 HG21 VAL 78 3HG2 VAL 78 -4.447 -2.042 0.857 624 HG22 VAL 78 1HG2 VAL 78 -4.169 -3.668 0.232 625 HG23 VAL 78 2HG2 VAL 78 -4.489 -3.426 1.949 626 H ALA 79 H ALA 79 -8.589 -1.552 0.232 627 HA ALA 79 HA ALA 79 -10.677 -3.361 -0.276 628 HB1 ALA 79 3HB ALA 79 -10.831 -0.362 0.050 629 HB2 ALA 79 1HB ALA 79 -10.851 -1.550 1.352 630 HB3 ALA 79 2HB ALA 79 -12.183 -1.487 0.196 631 H LYS 80 H LYS 80 -9.305 -0.813 -2.286 632 HA LYS 80 HA LYS 80 -11.371 -0.905 -4.285 633 HB2 LYS 80 2HB LYS 80 -9.987 1.107 -3.888 634 HB3 LYS 80 3HB LYS 80 -8.570 0.230 -4.454 635 HG2 LYS 80 2HG LYS 80 -9.747 -0.072 -6.651 636 HG3 LYS 80 3HG LYS 80 -10.997 1.023 -6.054 637 HD2 LYS 80 2HD LYS 80 -9.303 2.783 -5.765 638 HD3 LYS 80 3HD LYS 80 -8.062 1.679 -6.365 639 HE2 LYS 80 2HE LYS 80 -9.390 1.491 -8.487 640 HE3 LYS 80 3HE LYS 80 -10.426 2.781 -7.880 641 HZ1 LYS 80 3HZ LYS 80 -7.510 2.974 -8.379 642 HZ2 LYS 80 1HZ LYS 80 -8.479 4.220 -7.767 643 HZ3 LYS 80 2HZ LYS 80 -8.724 3.643 -9.342 644 H VAL 81 H VAL 81 -8.268 -2.507 -3.824 645 HA VAL 81 HA VAL 81 -8.125 -3.555 -6.505 646 HB VAL 81 HB VAL 81 -6.564 -4.297 -4.017 647 HG11 VAL 81 1HG1 VAL 81 -6.090 -5.129 -6.887 648 HG12 VAL 81 2HG1 VAL 81 -6.591 -6.182 -5.564 649 HG13 VAL 81 3HG1 VAL 81 -4.995 -5.433 -5.537 650 HG21 VAL 81 3HG2 VAL 81 -6.160 -2.018 -4.768 651 HG22 VAL 81 1HG2 VAL 81 -5.838 -2.591 -6.405 652 HG23 VAL 81 2HG2 VAL 81 -4.748 -3.022 -5.087 653 H MET 82 H MET 82 -8.790 -5.046 -3.311 654 HA MET 82 HA MET 82 -9.394 -7.597 -4.500 655 HB2 MET 82 2HB MET 82 -9.914 -6.664 -1.671 656 HB3 MET 82 3HB MET 82 -9.926 -8.329 -2.237 657 HG2 MET 82 2HG MET 82 -7.505 -7.953 -2.914 658 HG3 MET 82 3HG MET 82 -7.582 -6.471 -1.964 659 HE1 MET 82 3HE MET 82 -8.041 -10.740 -0.273 660 HE2 MET 82 1HE MET 82 -7.621 -10.369 -1.945 661 HE3 MET 82 2HE MET 82 -9.238 -10.011 -1.341 662 H GLN 83 H GLN 83 -11.302 -4.863 -3.344 663 HA GLN 83 HA GLN 83 -13.462 -4.254 -3.702 664 HB2 GLN 83 2HB GLN 83 -13.157 -6.255 -5.943 665 HB3 GLN 83 3HB GLN 83 -14.562 -5.210 -5.762 666 HG2 GLN 83 2HG GLN 83 -13.252 -3.250 -6.093 667 HG3 GLN 83 3HG GLN 83 -11.747 -4.165 -5.991 668 HE21 GLN 83 1HE2 GLN 83 -11.059 -5.336 -7.758 669 HE22 GLN 83 2HE2 GLN 83 -11.770 -5.173 -9.324 670 H LYS 84 H LYS 84 -12.933 -6.547 -1.868 671 HA LYS 84 HA LYS 84 -15.124 -8.359 -2.047 672 HB2 LYS 84 2HB LYS 84 -13.278 -9.123 -0.796 673 HB3 LYS 84 3HB LYS 84 -13.183 -7.633 0.133 674 HG2 LYS 84 2HG LYS 84 -15.352 -8.249 1.215 675 HG3 LYS 84 3HG LYS 84 -15.266 -9.801 0.379 676 HD2 LYS 84 2HD LYS 84 -13.287 -10.420 1.547 677 HD3 LYS 84 3HD LYS 84 -13.068 -8.788 2.180 678 HE2 LYS 84 2HE LYS 84 -15.339 -10.656 2.875 679 HE3 LYS 84 3HE LYS 84 -13.931 -10.331 3.887 680 HZ1 LYS 84 3HZ LYS 84 -15.755 -8.999 4.632 681 HZ2 LYS 84 1HZ LYS 84 -16.026 -8.384 3.082 682 HZ3 LYS 84 2HZ LYS 84 -14.618 -7.971 3.926 683 H ASP 85 H ASP 85 -14.529 -5.600 0.096 684 HA ASP 85 HA ASP 85 -17.169 -5.785 1.241 685 HB2 ASP 85 2HB ASP 85 -15.028 -3.698 1.697 686 HB3 ASP 85 3HB ASP 85 -16.444 -3.988 2.708 687 H SER 86 H SER 86 -18.375 -5.406 -0.738 688 HA SER 86 HA SER 86 -19.781 -4.159 -2.014 689 HB2 SER 86 2HB SER 86 -20.455 -3.325 0.220 690 HB3 SER 86 3HB SER 86 -19.290 -2.010 0.064 691 HG SER 86 HG SER 86 -20.465 -1.207 -1.665 Start of MODEL 2 1 H1 MET 1 1H MET 1 7.345 -32.201 1.246 2 H2 MET 1 2H MET 1 7.387 -32.335 2.930 3 H3 MET 1 3H MET 1 6.797 -33.613 1.995 4 HA MET 1 HA MET 1 8.974 -34.146 2.767 5 HB2 MET 1 2HB MET 1 9.950 -34.788 0.691 6 HB3 MET 1 3HB MET 1 8.211 -34.803 0.446 7 HG2 MET 1 2HG MET 1 10.185 -32.748 -0.508 8 HG3 MET 1 3HG MET 1 9.200 -33.839 -1.481 9 HE1 MET 1 3HE MET 1 7.774 -30.264 -2.307 10 HE2 MET 1 1HE MET 1 8.479 -31.735 -2.977 11 HE3 MET 1 2HE MET 1 9.453 -30.675 -1.958 12 H GLY 2 H GLY 2 8.717 -30.945 1.376 13 HA2 GLY 2 2HA GLY 2 10.617 -29.701 2.884 14 HA3 GLY 2 3HA GLY 2 11.539 -30.360 1.541 15 H HIS 3 H HIS 3 12.089 -28.225 0.904 16 HA HIS 3 HA HIS 3 10.357 -26.119 0.384 17 HB2 HIS 3 2HB HIS 3 12.126 -25.240 -1.103 18 HB3 HIS 3 3HB HIS 3 12.763 -25.823 0.427 19 HD1 HIS 3 HD1 HIS 3 14.638 -25.514 -1.934 20 HD2 HIS 3 HD2 HIS 3 12.644 -29.054 -1.075 21 HE1 HIS 3 HE1 HIS 3 16.011 -27.327 -2.986 22 HE2 HIS 3 HE2 HIS 3 14.894 -29.467 -2.283 23 H HIS 4 H HIS 4 9.177 -25.388 -1.376 24 HA HIS 4 HA HIS 4 8.674 -27.381 -3.498 25 HB2 HIS 4 2HB HIS 4 6.820 -25.232 -2.438 26 HB3 HIS 4 3HB HIS 4 6.428 -26.392 -3.703 27 HD1 HIS 4 HD1 HIS 4 6.775 -26.055 -0.020 28 HD2 HIS 4 HD2 HIS 4 5.922 -29.027 -2.791 29 HE1 HIS 4 HE1 HIS 4 5.909 -27.988 1.319 30 HE2 HIS 4 HE2 HIS 4 5.241 -29.703 -0.390 31 H HIS 5 H HIS 5 9.725 -26.845 -5.292 32 HA HIS 5 HA HIS 5 10.634 -24.304 -6.042 33 HB2 HIS 5 2HB HIS 5 10.822 -25.393 -8.367 34 HB3 HIS 5 3HB HIS 5 11.727 -26.120 -7.045 35 HD1 HIS 5 HD1 HIS 5 8.607 -26.708 -9.122 36 HD2 HIS 5 HD2 HIS 5 11.114 -28.741 -6.502 37 HE1 HIS 5 HE1 HIS 5 7.903 -29.114 -9.241 38 HE2 HIS 5 HE2 HIS 5 9.474 -30.333 -7.696 39 H HIS 6 H HIS 6 9.778 -22.625 -7.105 40 HA HIS 6 HA HIS 6 8.366 -21.279 -8.244 41 HB2 HIS 6 2HB HIS 6 7.323 -23.909 -9.276 42 HB3 HIS 6 3HB HIS 6 6.573 -22.383 -9.727 43 HD1 HIS 6 HD1 HIS 6 8.530 -24.604 -11.336 44 HD2 HIS 6 HD2 HIS 6 9.178 -20.603 -10.432 45 HE1 HIS 6 HE1 HIS 6 10.212 -23.800 -13.014 46 HE2 HIS 6 HE2 HIS 6 10.698 -21.426 -12.354 47 H HIS 7 H HIS 7 7.716 -22.313 -5.477 48 HA HIS 7 HA HIS 7 4.834 -22.104 -5.370 49 HB2 HIS 7 2HB HIS 7 6.004 -23.403 -3.646 50 HB3 HIS 7 3HB HIS 7 6.868 -21.959 -3.124 51 HD1 HIS 7 HD1 HIS 7 3.348 -23.359 -3.251 52 HD2 HIS 7 HD2 HIS 7 5.521 -20.423 -1.267 53 HE1 HIS 7 HE1 HIS 7 1.802 -22.439 -1.507 54 HE2 HIS 7 HE2 HIS 7 3.067 -20.538 -0.463 55 H HIS 8 H HIS 8 4.665 -20.114 -6.593 56 HA HIS 8 HA HIS 8 5.228 -17.692 -5.009 57 HB2 HIS 8 2HB HIS 8 4.686 -16.456 -7.141 58 HB3 HIS 8 3HB HIS 8 6.120 -17.472 -7.216 59 HD1 HIS 8 HD1 HIS 8 2.622 -17.205 -8.540 60 HD2 HIS 8 HD2 HIS 8 5.988 -19.592 -9.021 61 HE1 HIS 8 HE1 HIS 8 2.164 -18.607 -10.568 62 HE2 HIS 8 HE2 HIS 8 4.292 -19.897 -10.948 63 H SER 9 H SER 9 2.713 -19.782 -5.966 64 HA SER 9 HA SER 9 0.519 -17.954 -5.625 65 HB2 SER 9 2HB SER 9 0.245 -20.023 -6.935 66 HB3 SER 9 3HB SER 9 0.582 -20.989 -5.501 67 HG SER 9 HG SER 9 -1.749 -19.964 -6.317 68 H HIS 10 H HIS 10 0.098 -17.023 -3.720 69 HA HIS 10 HA HIS 10 -0.151 -16.623 -1.509 70 HB2 HIS 10 2HB HIS 10 -1.745 -18.447 -1.532 71 HB3 HIS 10 3HB HIS 10 -0.453 -19.629 -1.353 72 HD1 HIS 10 HD1 HIS 10 0.733 -19.732 1.004 73 HD2 HIS 10 HD2 HIS 10 -2.611 -17.266 0.829 74 HE1 HIS 10 HE1 HIS 10 0.109 -19.272 3.391 75 HE2 HIS 10 HE2 HIS 10 -1.961 -17.848 3.263 76 HA PRO 11 HA PRO 11 4.108 -17.489 -0.096 77 HB2 PRO 11 2HB PRO 11 4.862 -14.960 0.318 78 HB3 PRO 11 3HB PRO 11 4.807 -15.628 -1.320 79 HG2 PRO 11 2HG PRO 11 2.846 -13.832 0.063 80 HG3 PRO 11 3HG PRO 11 3.422 -13.777 -1.612 81 HD2 PRO 11 2HD PRO 11 1.023 -14.914 -0.782 82 HD3 PRO 11 3HD PRO 11 1.848 -15.280 -2.311 83 H ASN 12 H ASN 12 5.146 -16.392 2.046 84 HA ASN 12 HA ASN 12 3.200 -16.689 4.163 85 HB2 ASN 12 2HB ASN 12 5.524 -17.556 4.389 86 HB3 ASN 12 3HB ASN 12 6.125 -15.900 4.351 87 HD21 ASN 12 1HD2 ASN 12 6.995 -15.983 6.414 88 HD22 ASN 12 2HD2 ASN 12 6.016 -16.046 7.836 89 H GLU 13 H GLU 13 2.987 -15.043 5.908 90 HA GLU 13 HA GLU 13 2.047 -12.623 4.934 91 HB2 GLU 13 2HB GLU 13 1.331 -13.505 7.075 92 HB3 GLU 13 3HB GLU 13 2.946 -13.288 7.741 93 HG2 GLU 13 2HG GLU 13 2.755 -10.911 7.634 94 HG3 GLU 13 3HG GLU 13 1.250 -11.014 6.721 95 H GLU 14 H GLU 14 5.175 -13.202 6.578 96 HA GLU 14 HA GLU 14 6.124 -10.566 6.458 97 HB2 GLU 14 2HB GLU 14 7.102 -12.692 7.636 98 HB3 GLU 14 3HB GLU 14 7.970 -12.927 6.129 99 HG2 GLU 14 2HG GLU 14 8.136 -10.427 7.814 100 HG3 GLU 14 3HG GLU 14 9.265 -11.772 7.920 101 H ALA 15 H ALA 15 6.163 -13.151 4.065 102 HA ALA 15 HA ALA 15 7.881 -11.912 2.189 103 HB1 ALA 15 3HB ALA 15 7.430 -14.320 2.198 104 HB2 ALA 15 1HB ALA 15 7.095 -13.601 0.622 105 HB3 ALA 15 2HB ALA 15 5.765 -14.010 1.707 106 H ARG 16 H ARG 16 4.286 -12.127 2.272 107 HA ARG 16 HA ARG 16 3.855 -10.474 0.022 108 HB2 ARG 16 2HB ARG 16 1.556 -10.222 0.804 109 HB3 ARG 16 3HB ARG 16 2.073 -11.891 0.996 110 HG2 ARG 16 2HG ARG 16 2.405 -11.549 3.374 111 HG3 ARG 16 3HG ARG 16 1.998 -9.843 3.211 112 HD2 ARG 16 2HD ARG 16 -0.274 -10.431 2.536 113 HD3 ARG 16 3HD ARG 16 0.128 -12.147 2.625 114 HE ARG 16 HE ARG 16 0.683 -11.015 5.112 115 HH11 ARG 16 1HH1 ARG 16 -2.082 -11.581 3.133 116 HH12 ARG 16 2HH1 ARG 16 -3.140 -11.777 4.485 117 HH21 ARG 16 1HH2 ARG 16 -0.704 -11.295 6.851 118 HH22 ARG 16 2HH2 ARG 16 -2.374 -11.631 6.548 119 H LEU 17 H LEU 17 4.304 -9.738 3.431 120 HA LEU 17 HA LEU 17 3.629 -6.983 3.308 121 HB2 LEU 17 2HB LEU 17 3.521 -8.101 5.404 122 HB3 LEU 17 3HB LEU 17 5.180 -8.649 5.279 123 HG LEU 17 HG LEU 17 5.999 -6.394 5.641 124 HD11 LEU 17 1HD1 LEU 17 3.109 -5.565 5.807 125 HD12 LEU 17 2HD1 LEU 17 4.249 -5.138 4.528 126 HD13 LEU 17 3HD1 LEU 17 4.503 -4.544 6.168 127 HD21 LEU 17 3HD2 LEU 17 5.277 -6.079 7.954 128 HD22 LEU 17 1HD2 LEU 17 5.566 -7.782 7.601 129 HD23 LEU 17 2HD2 LEU 17 3.914 -7.165 7.682 130 H ASP 18 H ASP 18 6.729 -8.701 3.040 131 HA ASP 18 HA ASP 18 8.425 -6.491 3.194 132 HB2 ASP 18 2HB ASP 18 9.132 -8.891 3.276 133 HB3 ASP 18 3HB ASP 18 8.892 -8.976 1.534 134 H ILE 19 H ILE 19 6.591 -7.757 0.479 135 HA ILE 19 HA ILE 19 7.789 -6.278 -1.589 136 HB ILE 19 HB ILE 19 4.878 -7.095 -1.416 137 HG12 ILE 19 2HG1 ILE 19 7.244 -8.647 -2.515 138 HG13 ILE 19 3HG1 ILE 19 6.436 -8.990 -0.990 139 HG21 ILE 19 1HG2 ILE 19 5.362 -5.506 -3.222 140 HG22 ILE 19 2HG2 ILE 19 4.969 -7.100 -3.866 141 HG23 ILE 19 3HG2 ILE 19 6.648 -6.562 -3.812 142 HD11 ILE 19 3HD1 ILE 19 4.377 -9.497 -2.204 143 HD12 ILE 19 1HD1 ILE 19 5.717 -10.517 -2.723 144 HD13 ILE 19 2HD1 ILE 19 5.198 -9.166 -3.729 145 H LEU 20 H LEU 20 5.131 -5.404 0.638 146 HA LEU 20 HA LEU 20 4.564 -2.873 -0.494 147 HB2 LEU 20 2HB LEU 20 4.269 -3.804 2.372 148 HB3 LEU 20 3HB LEU 20 3.708 -2.249 1.790 149 HG LEU 20 HG LEU 20 2.361 -3.728 0.063 150 HD11 LEU 20 1HD1 LEU 20 2.723 -5.639 2.369 151 HD12 LEU 20 2HD1 LEU 20 3.338 -5.859 0.730 152 HD13 LEU 20 3HD1 LEU 20 1.599 -5.836 1.024 153 HD21 LEU 20 3HD2 LEU 20 1.348 -2.204 1.661 154 HD22 LEU 20 1HD2 LEU 20 1.550 -3.387 2.954 155 HD23 LEU 20 2HD2 LEU 20 0.455 -3.723 1.612 156 H LYS 21 H LYS 21 6.879 -3.880 2.006 157 HA LYS 21 HA LYS 21 7.906 -1.403 2.761 158 HB2 LYS 21 2HB LYS 21 9.502 -3.950 2.374 159 HB3 LYS 21 3HB LYS 21 9.955 -2.584 3.383 160 HG2 LYS 21 2HG LYS 21 8.174 -3.046 4.923 161 HG3 LYS 21 3HG LYS 21 7.510 -4.285 3.854 162 HD2 LYS 21 2HD LYS 21 9.632 -5.560 4.102 163 HD3 LYS 21 3HD LYS 21 10.178 -4.368 5.278 164 HE2 LYS 21 2HE LYS 21 8.389 -4.968 6.780 165 HE3 LYS 21 3HE LYS 21 7.674 -6.021 5.563 166 HZ1 LYS 21 3HZ LYS 21 10.370 -6.436 6.715 167 HZ2 LYS 21 1HZ LYS 21 9.519 -7.499 5.708 168 HZ3 LYS 21 2HZ LYS 21 8.977 -7.205 7.281 169 H ILE 22 H ILE 22 9.075 -3.555 0.172 170 HA ILE 22 HA ILE 22 11.208 -2.068 -0.762 171 HB ILE 22 HB ILE 22 9.331 -3.754 -2.436 172 HG12 ILE 22 2HG1 ILE 22 11.894 -4.528 -1.013 173 HG13 ILE 22 3HG1 ILE 22 10.272 -4.944 -0.468 174 HG21 ILE 22 1HG2 ILE 22 12.191 -2.919 -2.950 175 HG22 ILE 22 2HG2 ILE 22 10.768 -2.342 -3.818 176 HG23 ILE 22 3HG2 ILE 22 11.252 -4.032 -3.947 177 HD11 ILE 22 3HD1 ILE 22 11.316 -6.815 -1.583 178 HD12 ILE 22 1HD1 ILE 22 11.572 -5.842 -3.031 179 HD13 ILE 22 2HD1 ILE 22 9.933 -6.243 -2.515 180 H HIS 23 H HIS 23 7.851 -1.939 -2.011 181 HA HIS 23 HA HIS 23 8.524 0.087 -3.938 182 HB2 HIS 23 2HB HIS 23 5.877 -1.105 -3.107 183 HB3 HIS 23 3HB HIS 23 6.045 0.093 -4.388 184 HD1 HIS 23 HD1 HIS 23 7.159 -0.681 -6.600 185 HD2 HIS 23 HD2 HIS 23 6.763 -3.685 -3.757 186 HE1 HIS 23 HE1 HIS 23 7.610 -2.825 -7.819 187 HE2 HIS 23 HE2 HIS 23 7.609 -4.587 -6.025 188 H SER 24 H SER 24 6.905 0.141 -0.774 189 HA SER 24 HA SER 24 5.992 2.809 -0.872 190 HB2 SER 24 2HB SER 24 5.931 2.702 1.594 191 HB3 SER 24 3HB SER 24 5.264 1.236 0.878 192 HG SER 24 HG SER 24 6.784 0.125 1.792 193 H ARG 25 H ARG 25 9.076 1.436 0.201 194 HA ARG 25 HA ARG 25 10.347 3.765 1.079 195 HB2 ARG 25 2HB ARG 25 11.440 1.223 -0.139 196 HB3 ARG 25 3HB ARG 25 12.483 2.493 0.490 197 HG2 ARG 25 2HG ARG 25 11.839 2.115 2.690 198 HG3 ARG 25 3HG ARG 25 10.337 1.318 2.221 199 HD2 ARG 25 2HD ARG 25 12.016 -0.259 3.117 200 HD3 ARG 25 3HD ARG 25 11.553 -0.627 1.459 201 HE ARG 25 HE ARG 25 13.931 0.986 1.695 202 HH11 ARG 25 1HH1 ARG 25 12.688 -2.231 1.615 203 HH12 ARG 25 2HH1 ARG 25 14.173 -2.907 1.058 204 HH21 ARG 25 1HH2 ARG 25 15.840 0.085 0.979 205 HH22 ARG 25 2HH2 ARG 25 15.931 -1.622 0.712 206 H LYS 26 H LYS 26 9.497 2.909 -2.143 207 HA LYS 26 HA LYS 26 11.525 4.600 -3.374 208 HB2 LYS 26 2HB LYS 26 9.219 3.058 -4.582 209 HB3 LYS 26 3HB LYS 26 10.393 3.977 -5.512 210 HG2 LYS 26 2HG LYS 26 10.898 1.520 -3.843 211 HG3 LYS 26 3HG LYS 26 11.019 1.678 -5.598 212 HD2 LYS 26 2HD LYS 26 12.849 3.350 -5.246 213 HD3 LYS 26 3HD LYS 26 12.785 2.985 -3.521 214 HE2 LYS 26 2HE LYS 26 14.573 1.715 -4.469 215 HE3 LYS 26 3HE LYS 26 13.264 0.595 -4.092 216 HZ1 LYS 26 3HZ LYS 26 12.611 0.621 -6.411 217 HZ2 LYS 26 1HZ LYS 26 14.231 0.157 -6.264 218 HZ3 LYS 26 2HZ LYS 26 13.844 1.720 -6.778 219 H MET 27 H MET 27 8.404 5.009 -2.083 220 HA MET 27 HA MET 27 7.974 7.495 -3.622 221 HB2 MET 27 2HB MET 27 6.000 5.934 -1.931 222 HB3 MET 27 3HB MET 27 5.634 7.377 -2.868 223 HG2 MET 27 2HG MET 27 6.255 6.129 -4.926 224 HG3 MET 27 3HG MET 27 6.444 4.680 -3.939 225 HE1 MET 27 3HE MET 27 4.000 5.244 -1.817 226 HE2 MET 27 1HE MET 27 4.392 3.654 -2.476 227 HE3 MET 27 2HE MET 27 2.741 4.268 -2.572 228 H ASN 28 H ASN 28 6.410 8.964 -1.981 229 HA ASN 28 HA ASN 28 8.125 9.589 0.305 230 HB2 ASN 28 2HB ASN 28 7.197 11.342 -1.316 231 HB3 ASN 28 3HB ASN 28 5.630 11.066 -0.565 232 HD21 ASN 28 1HD2 ASN 28 7.037 13.505 -0.605 233 HD22 ASN 28 2HD2 ASN 28 7.396 13.928 1.028 234 H LEU 29 H LEU 29 7.580 9.058 2.391 235 HA LEU 29 HA LEU 29 4.921 7.838 2.809 236 HB2 LEU 29 2HB LEU 29 7.558 7.069 4.066 237 HB3 LEU 29 3HB LEU 29 6.005 6.375 4.494 238 HG LEU 29 HG LEU 29 7.364 6.139 1.800 239 HD11 LEU 29 1HD1 LEU 29 8.459 4.819 3.531 240 HD12 LEU 29 2HD1 LEU 29 7.615 3.780 2.385 241 HD13 LEU 29 3HD1 LEU 29 6.914 4.092 3.973 242 HD21 LEU 29 3HD2 LEU 29 5.560 4.598 1.227 243 HD22 LEU 29 1HD2 LEU 29 4.921 6.201 1.590 244 HD23 LEU 29 2HD2 LEU 29 4.782 4.905 2.780 245 H THR 30 H THR 30 4.017 7.942 4.938 246 HA THR 30 HA THR 30 4.573 10.402 6.361 247 HB THR 30 HB THR 30 2.244 9.562 6.107 248 HG1 THR 30 HG1 THR 30 1.752 10.467 7.989 249 HG21 THR 30 3HG2 THR 30 1.458 7.723 7.523 250 HG22 THR 30 1HG2 THR 30 3.110 7.421 8.063 251 HG23 THR 30 2HG2 THR 30 2.670 7.158 6.374 252 H ARG 31 H ARG 31 4.816 10.361 8.787 253 HA ARG 31 HA ARG 31 6.884 8.395 9.493 254 HB2 ARG 31 2HB ARG 31 6.228 11.091 10.712 255 HB3 ARG 31 3HB ARG 31 7.480 10.010 11.308 256 HG2 ARG 31 2HG ARG 31 8.604 11.597 9.986 257 HG3 ARG 31 3HG ARG 31 8.517 10.142 8.993 258 HD2 ARG 31 2HD ARG 31 6.402 11.186 7.978 259 HD3 ARG 31 3HD ARG 31 6.923 12.684 8.744 260 HE ARG 31 HE ARG 31 8.919 11.411 7.090 261 HH11 ARG 31 1HH1 ARG 31 6.350 13.716 7.216 262 HH12 ARG 31 2HH1 ARG 31 6.863 14.506 5.767 263 HH21 ARG 31 1HH2 ARG 31 9.531 12.439 5.226 264 HH22 ARG 31 2HH2 ARG 31 8.618 13.791 4.653 265 H GLY 32 H GLY 32 6.304 6.726 10.706 266 HA2 GLY 32 2HA GLY 32 5.378 5.717 12.659 267 HA3 GLY 32 3HA GLY 32 4.245 7.055 12.787 268 H ILE 33 H ILE 33 5.072 4.683 10.245 269 HA ILE 33 HA ILE 33 2.178 4.250 9.827 270 HB ILE 33 HB ILE 33 3.265 5.377 7.943 271 HG12 ILE 33 2HG1 ILE 33 2.462 2.513 7.345 272 HG13 ILE 33 3HG1 ILE 33 1.383 3.900 7.468 273 HG21 ILE 33 1HG2 ILE 33 4.969 4.265 6.588 274 HG22 ILE 33 2HG2 ILE 33 5.015 2.924 7.732 275 HG23 ILE 33 3HG2 ILE 33 5.535 4.531 8.237 276 HD11 ILE 33 3HD1 ILE 33 2.444 4.894 5.501 277 HD12 ILE 33 1HD1 ILE 33 1.773 3.300 5.156 278 HD13 ILE 33 2HD1 ILE 33 3.511 3.493 5.375 279 H ASN 34 H ASN 34 1.385 2.214 9.992 280 HA ASN 34 HA ASN 34 3.285 -0.004 10.351 281 HB2 ASN 34 2HB ASN 34 1.727 0.264 12.185 282 HB3 ASN 34 3HB ASN 34 0.356 0.245 11.082 283 HD21 ASN 34 1HD2 ASN 34 -0.472 -1.473 12.383 284 HD22 ASN 34 2HD2 ASN 34 0.113 -3.085 12.164 285 H LEU 35 H LEU 35 3.771 -0.927 8.446 286 HA LEU 35 HA LEU 35 1.914 -1.036 6.259 287 HB2 LEU 35 2HB LEU 35 4.633 -2.302 6.625 288 HB3 LEU 35 3HB LEU 35 3.710 -2.367 5.136 289 HG LEU 35 HG LEU 35 4.765 0.154 6.438 290 HD11 LEU 35 1HD1 LEU 35 6.288 0.255 4.533 291 HD12 LEU 35 2HD1 LEU 35 5.664 -1.284 3.939 292 HD13 LEU 35 3HD1 LEU 35 6.540 -1.218 5.468 293 HD21 LEU 35 3HD2 LEU 35 2.676 0.572 5.255 294 HD22 LEU 35 1HD2 LEU 35 3.305 -0.239 3.820 295 HD23 LEU 35 2HD2 LEU 35 4.033 1.270 4.372 296 H ARG 36 H ARG 36 2.890 -3.266 8.797 297 HA ARG 36 HA ARG 36 2.046 -5.678 7.664 298 HB2 ARG 36 2HB ARG 36 3.259 -5.732 9.746 299 HB3 ARG 36 3HB ARG 36 2.002 -4.807 10.566 300 HG2 ARG 36 2HG ARG 36 0.424 -6.683 10.151 301 HG3 ARG 36 3HG ARG 36 1.760 -7.608 9.473 302 HD2 ARG 36 2HD ARG 36 2.810 -7.839 11.549 303 HD3 ARG 36 3HD ARG 36 1.916 -6.489 12.257 304 HE ARG 36 HE ARG 36 -0.089 -7.946 12.065 305 HH11 ARG 36 1HH1 ARG 36 3.044 -9.382 12.283 306 HH12 ARG 36 2HH1 ARG 36 2.423 -10.868 12.907 307 HH21 ARG 36 1HH2 ARG 36 -0.864 -9.843 12.815 308 HH22 ARG 36 2HH2 ARG 36 0.225 -11.124 13.221 309 H LYS 37 H LYS 37 0.153 -3.301 9.525 310 HA LYS 37 HA LYS 37 -2.268 -4.617 9.723 311 HB2 LYS 37 2HB LYS 37 -1.573 -2.310 10.632 312 HB3 LYS 37 3HB LYS 37 -2.072 -1.670 9.076 313 HG2 LYS 37 2HG LYS 37 -3.935 -3.261 10.826 314 HG3 LYS 37 3HG LYS 37 -3.738 -1.517 10.993 315 HD2 LYS 37 2HD LYS 37 -4.522 -2.872 8.416 316 HD3 LYS 37 3HD LYS 37 -5.691 -2.249 9.578 317 HE2 LYS 37 2HE LYS 37 -3.542 -0.584 8.256 318 HE3 LYS 37 3HE LYS 37 -5.193 -0.716 7.659 319 HZ1 LYS 37 3HZ LYS 37 -5.974 0.205 9.766 320 HZ2 LYS 37 1HZ LYS 37 -4.923 1.268 8.973 321 HZ3 LYS 37 2HZ LYS 37 -4.380 0.370 10.303 322 H ILE 38 H ILE 38 -0.932 -2.896 6.946 323 HA ILE 38 HA ILE 38 -3.262 -3.037 5.305 324 HB ILE 38 HB ILE 38 -0.385 -2.815 4.380 325 HG12 ILE 38 2HG1 ILE 38 -0.827 -1.079 6.045 326 HG13 ILE 38 3HG1 ILE 38 -0.727 -0.359 4.442 327 HG21 ILE 38 1HG2 ILE 38 -1.972 -3.328 2.597 328 HG22 ILE 38 2HG2 ILE 38 -1.357 -1.685 2.427 329 HG23 ILE 38 3HG2 ILE 38 -2.975 -1.957 3.074 330 HD11 ILE 38 3HD1 ILE 38 -2.523 0.630 5.712 331 HD12 ILE 38 1HD1 ILE 38 -3.250 -0.956 5.970 332 HD13 ILE 38 2HD1 ILE 38 -3.173 -0.273 4.346 333 H ALA 39 H ALA 39 -0.275 -4.972 5.481 334 HA ALA 39 HA ALA 39 -0.842 -6.794 3.436 335 HB1 ALA 39 3HB ALA 39 0.829 -8.239 4.473 336 HB2 ALA 39 1HB ALA 39 0.765 -7.270 5.948 337 HB3 ALA 39 2HB ALA 39 1.367 -6.559 4.450 338 H GLU 40 H GLU 40 -1.683 -6.936 6.885 339 HA GLU 40 HA GLU 40 -2.759 -9.538 6.893 340 HB2 GLU 40 2HB GLU 40 -3.418 -7.179 8.674 341 HB3 GLU 40 3HB GLU 40 -3.938 -8.831 8.977 342 HG2 GLU 40 2HG GLU 40 -1.558 -9.518 9.079 343 HG3 GLU 40 3HG GLU 40 -1.097 -7.825 8.903 344 H LEU 41 H LEU 41 -4.034 -6.581 5.658 345 HA LEU 41 HA LEU 41 -6.789 -7.506 5.600 346 HB2 LEU 41 2HB LEU 41 -5.491 -5.071 4.361 347 HB3 LEU 41 3HB LEU 41 -7.213 -5.403 4.353 348 HG LEU 41 HG LEU 41 -5.530 -4.900 6.816 349 HD11 LEU 41 1HD1 LEU 41 -6.767 -2.803 6.977 350 HD12 LEU 41 2HD1 LEU 41 -7.606 -3.170 5.470 351 HD13 LEU 41 3HD1 LEU 41 -5.863 -2.891 5.466 352 HD21 LEU 41 3HD2 LEU 41 -7.684 -4.855 8.009 353 HD22 LEU 41 1HD2 LEU 41 -7.343 -6.439 7.310 354 HD23 LEU 41 2HD2 LEU 41 -8.502 -5.361 6.530 355 H MET 42 H MET 42 -4.160 -8.383 3.842 356 HA MET 42 HA MET 42 -5.724 -8.748 1.356 357 HB2 MET 42 2HB MET 42 -2.722 -8.486 1.640 358 HB3 MET 42 3HB MET 42 -3.585 -8.755 0.132 359 HG2 MET 42 2HG MET 42 -4.695 -6.589 0.376 360 HG3 MET 42 3HG MET 42 -3.838 -6.322 1.894 361 HE1 MET 42 3HE MET 42 -1.744 -6.596 -2.212 362 HE2 MET 42 1HE MET 42 -3.488 -6.727 -2.000 363 HE3 MET 42 2HE MET 42 -2.429 -7.997 -1.387 364 HA PRO 43 HA PRO 43 -4.723 -13.028 2.826 365 HB2 PRO 43 2HB PRO 43 -7.207 -14.049 2.776 366 HB3 PRO 43 3HB PRO 43 -6.639 -13.058 4.125 367 HG2 PRO 43 2HG PRO 43 -8.407 -12.303 1.830 368 HG3 PRO 43 3HG PRO 43 -8.524 -11.838 3.537 369 HD2 PRO 43 2HD PRO 43 -7.429 -10.258 1.536 370 HD3 PRO 43 3HD PRO 43 -7.090 -10.077 3.268 371 H GLY 44 H GLY 44 -3.962 -14.430 1.351 372 HA2 GLY 44 2HA GLY 44 -3.925 -15.839 -0.492 373 HA3 GLY 44 3HA GLY 44 -5.521 -15.261 -0.932 374 H ALA 45 H ALA 45 -3.660 -12.554 -0.550 375 HA ALA 45 HA ALA 45 -3.432 -12.196 -3.425 376 HB1 ALA 45 3HB ALA 45 -2.896 -9.875 -2.887 377 HB2 ALA 45 1HB ALA 45 -2.819 -10.281 -1.172 378 HB3 ALA 45 2HB ALA 45 -4.350 -10.403 -2.040 379 H SER 46 H SER 46 -1.475 -11.450 -4.484 380 HA SER 46 HA SER 46 1.036 -12.069 -3.084 381 HB2 SER 46 2HB SER 46 1.824 -13.219 -5.241 382 HB3 SER 46 3HB SER 46 0.676 -14.097 -4.240 383 HG SER 46 HG SER 46 -0.136 -12.484 -6.428 384 H GLY 47 H GLY 47 2.749 -11.718 -5.343 385 HA2 GLY 47 2HA GLY 47 3.541 -9.171 -4.801 386 HA3 GLY 47 3HA GLY 47 4.011 -10.038 -6.244 387 H ALA 48 H ALA 48 1.767 -10.013 -7.813 388 HA ALA 48 HA ALA 48 1.913 -7.414 -8.895 389 HB1 ALA 48 3HB ALA 48 -0.167 -9.523 -9.470 390 HB2 ALA 48 1HB ALA 48 1.413 -9.402 -10.244 391 HB3 ALA 48 2HB ALA 48 0.215 -8.129 -10.480 392 H GLU 49 H GLU 49 -0.545 -8.938 -6.862 393 HA GLU 49 HA GLU 49 -2.401 -6.781 -6.963 394 HB2 GLU 49 2HB GLU 49 -2.073 -8.953 -4.872 395 HB3 GLU 49 3HB GLU 49 -3.442 -7.857 -4.979 396 HG2 GLU 49 2HG GLU 49 -4.136 -9.898 -5.940 397 HG3 GLU 49 3HG GLU 49 -3.880 -8.781 -7.279 398 H VAL 50 H VAL 50 0.282 -7.597 -4.811 399 HA VAL 50 HA VAL 50 -0.113 -5.560 -2.896 400 HB VAL 50 HB VAL 50 2.469 -6.877 -3.782 401 HG11 VAL 50 1HG1 VAL 50 1.882 -5.185 -1.345 402 HG12 VAL 50 2HG1 VAL 50 2.959 -4.775 -2.680 403 HG13 VAL 50 3HG1 VAL 50 3.361 -6.110 -1.603 404 HG21 VAL 50 3HG2 VAL 50 0.651 -7.479 -1.440 405 HG22 VAL 50 1HG2 VAL 50 2.184 -8.277 -1.791 406 HG23 VAL 50 2HG2 VAL 50 0.822 -8.459 -2.897 407 H LYS 51 H LYS 51 1.957 -5.612 -5.827 408 HA LYS 51 HA LYS 51 2.809 -2.934 -5.667 409 HB2 LYS 51 2HB LYS 51 3.897 -4.508 -7.170 410 HB3 LYS 51 3HB LYS 51 2.421 -4.683 -8.112 411 HG2 LYS 51 2HG LYS 51 2.578 -2.422 -8.905 412 HG3 LYS 51 3HG LYS 51 3.914 -2.078 -7.806 413 HD2 LYS 51 2HD LYS 51 4.684 -2.430 -10.114 414 HD3 LYS 51 3HD LYS 51 5.343 -3.637 -9.009 415 HE2 LYS 51 2HE LYS 51 4.659 -4.710 -11.062 416 HE3 LYS 51 3HE LYS 51 3.595 -5.225 -9.754 417 HZ1 LYS 51 3HZ LYS 51 2.956 -3.145 -11.774 418 HZ2 LYS 51 1HZ LYS 51 1.925 -3.667 -10.539 419 HZ3 LYS 51 2HZ LYS 51 2.367 -4.732 -11.771 420 H GLY 52 H GLY 52 -0.115 -4.378 -6.984 421 HA2 GLY 52 2HA GLY 52 -1.267 -2.145 -8.221 422 HA3 GLY 52 3HA GLY 52 -2.163 -3.456 -7.466 423 H VAL 53 H VAL 53 -1.705 -3.261 -4.845 424 HA VAL 53 HA VAL 53 -3.245 -1.113 -3.930 425 HB VAL 53 HB VAL 53 -1.275 -2.833 -2.397 426 HG11 VAL 53 1HG1 VAL 53 -1.746 -0.761 -1.174 427 HG12 VAL 53 2HG1 VAL 53 -2.477 -2.154 -0.374 428 HG13 VAL 53 3HG1 VAL 53 -3.478 -1.058 -1.329 429 HG21 VAL 53 3HG2 VAL 53 -4.269 -3.057 -2.772 430 HG22 VAL 53 1HG2 VAL 53 -3.297 -4.073 -1.705 431 HG23 VAL 53 2HG2 VAL 53 -3.042 -4.129 -3.449 432 H CYS 54 H CYS 54 0.298 -1.515 -3.888 433 HA CYS 54 HA CYS 54 0.929 0.901 -2.597 434 HB2 CYS 54 2HB CYS 54 2.558 -0.897 -2.878 435 HB3 CYS 54 3HB CYS 54 2.556 -0.652 -4.621 436 HG CYS 54 HG CYS 54 3.506 2.087 -4.241 437 H THR 55 H THR 55 0.344 0.202 -6.005 438 HA THR 55 HA THR 55 1.110 2.805 -6.950 439 HB THR 55 HB THR 55 -0.598 0.697 -8.317 440 HG1 THR 55 HG1 THR 55 1.296 -0.270 -8.396 441 HG21 THR 55 3HG2 THR 55 -0.026 1.861 -10.400 442 HG22 THR 55 1HG2 THR 55 0.832 3.100 -9.480 443 HG23 THR 55 2HG2 THR 55 -0.915 2.923 -9.310 444 H GLU 56 H GLU 56 -2.007 1.221 -6.263 445 HA GLU 56 HA GLU 56 -3.654 3.384 -7.020 446 HB2 GLU 56 2HB GLU 56 -4.218 1.148 -5.059 447 HB3 GLU 56 3HB GLU 56 -5.427 2.245 -5.712 448 HG2 GLU 56 2HG GLU 56 -3.810 0.202 -7.223 449 HG3 GLU 56 3HG GLU 56 -5.541 0.171 -6.898 450 H ALA 57 H ALA 57 -2.036 2.610 -3.995 451 HA ALA 57 HA ALA 57 -3.264 4.363 -2.233 452 HB1 ALA 57 3HB ALA 57 -1.526 2.752 -1.579 453 HB2 ALA 57 1HB ALA 57 -1.158 4.375 -0.990 454 HB3 ALA 57 2HB ALA 57 -0.310 3.732 -2.397 455 H GLY 58 H GLY 58 -0.690 5.036 -4.589 456 HA2 GLY 58 2HA GLY 58 -0.266 7.745 -3.964 457 HA3 GLY 58 3HA GLY 58 0.058 6.991 -5.516 458 H MET 59 H MET 59 -2.836 6.203 -5.771 459 HA MET 59 HA MET 59 -3.761 8.523 -7.146 460 HB2 MET 59 2HB MET 59 -5.291 6.025 -6.371 461 HB3 MET 59 3HB MET 59 -5.814 7.225 -7.544 462 HG2 MET 59 2HG MET 59 -3.200 5.852 -7.962 463 HG3 MET 59 3HG MET 59 -4.689 4.977 -8.296 464 HE1 MET 59 3HE MET 59 -3.868 8.890 -8.912 465 HE2 MET 59 1HE MET 59 -3.280 8.758 -10.566 466 HE3 MET 59 2HE MET 59 -2.394 7.984 -9.253 467 H TYR 60 H TYR 60 -4.572 7.049 -4.023 468 HA TYR 60 HA TYR 60 -6.634 8.888 -3.335 469 HB2 TYR 60 2HB TYR 60 -4.854 7.169 -1.588 470 HB3 TYR 60 3HB TYR 60 -6.238 8.081 -0.995 471 HD1 TYR 60 HD2 TYR 60 -8.527 7.411 -1.606 472 HD2 TYR 60 HD1 TYR 60 -5.159 5.118 -2.845 473 HE1 TYR 60 HE2 TYR 60 -10.013 5.533 -2.146 474 HE2 TYR 60 HE1 TYR 60 -6.641 3.233 -3.390 475 HH TYR 60 HH TYR 60 -8.933 2.419 -2.652 476 H ALA 61 H ALA 61 -3.151 8.911 -3.003 477 HA ALA 61 HA ALA 61 -2.961 11.236 -1.390 478 HB1 ALA 61 3HB ALA 61 -1.126 9.614 -1.647 479 HB2 ALA 61 1HB ALA 61 -0.610 11.259 -2.026 480 HB3 ALA 61 2HB ALA 61 -0.934 10.111 -3.327 481 H LEU 62 H LEU 62 -2.534 10.807 -4.922 482 HA LEU 62 HA LEU 62 -2.035 13.490 -5.524 483 HB2 LEU 62 2HB LEU 62 -3.267 11.352 -7.265 484 HB3 LEU 62 3HB LEU 62 -2.679 12.898 -7.853 485 HG LEU 62 HG LEU 62 -1.012 10.713 -6.592 486 HD11 LEU 62 1HD1 LEU 62 -1.063 11.786 -9.410 487 HD12 LEU 62 2HD1 LEU 62 -1.714 10.235 -8.883 488 HD13 LEU 62 3HD1 LEU 62 0.019 10.538 -8.789 489 HD21 LEU 62 3HD2 LEU 62 -0.143 12.885 -5.939 490 HD22 LEU 62 1HD2 LEU 62 -0.183 13.431 -7.618 491 HD23 LEU 62 2HD2 LEU 62 0.919 12.142 -7.135 492 H ARG 63 H ARG 63 -5.162 11.768 -5.444 493 HA ARG 63 HA ARG 63 -6.792 13.782 -6.488 494 HB2 ARG 63 2HB ARG 63 -8.654 12.687 -5.428 495 HB3 ARG 63 3HB ARG 63 -7.522 11.435 -5.927 496 HG2 ARG 63 2HG ARG 63 -6.709 11.196 -3.679 497 HG3 ARG 63 3HG ARG 63 -7.677 12.565 -3.143 498 HD2 ARG 63 2HD ARG 63 -9.720 11.243 -3.810 499 HD3 ARG 63 3HD ARG 63 -8.649 9.855 -4.043 500 HE ARG 63 HE ARG 63 -8.258 11.021 -1.484 501 HH11 ARG 63 1HH1 ARG 63 -10.421 8.958 -3.213 502 HH12 ARG 63 2HH1 ARG 63 -11.002 8.205 -1.772 503 HH21 ARG 63 1HH2 ARG 63 -9.002 10.076 0.322 504 HH22 ARG 63 2HH2 ARG 63 -10.198 8.824 0.223 505 H GLU 64 H GLU 64 -5.471 13.409 -3.237 506 HA GLU 64 HA GLU 64 -6.868 15.836 -2.326 507 HB2 GLU 64 2HB GLU 64 -5.413 13.673 -0.789 508 HB3 GLU 64 3HB GLU 64 -6.109 15.110 -0.051 509 HG2 GLU 64 2HG GLU 64 -8.332 14.431 -0.777 510 HG3 GLU 64 3HG GLU 64 -7.656 13.016 -1.577 511 H ARG 65 H ARG 65 -4.125 15.282 -3.896 512 HA ARG 65 HA ARG 65 -2.139 16.354 -4.163 513 HB2 ARG 65 2HB ARG 65 -3.507 18.408 -2.413 514 HB3 ARG 65 3HB ARG 65 -1.944 18.673 -3.175 515 HG2 ARG 65 2HG ARG 65 -4.515 18.090 -4.652 516 HG3 ARG 65 3HG ARG 65 -3.806 19.691 -4.428 517 HD2 ARG 65 2HD ARG 65 -1.793 18.958 -5.637 518 HD3 ARG 65 3HD ARG 65 -2.520 17.369 -5.880 519 HE ARG 65 HE ARG 65 -4.344 18.816 -7.056 520 HH11 ARG 65 1HH1 ARG 65 -0.933 19.280 -7.156 521 HH12 ARG 65 2HH1 ARG 65 -0.969 20.026 -8.717 522 HH21 ARG 65 1HH2 ARG 65 -4.376 19.768 -9.067 523 HH22 ARG 65 2HH2 ARG 65 -2.895 20.289 -9.790 524 H ARG 66 H ARG 66 -2.514 14.477 -1.867 525 HA ARG 66 HA ARG 66 -0.918 15.329 0.315 526 HB2 ARG 66 2HB ARG 66 -1.394 12.512 -0.685 527 HB3 ARG 66 3HB ARG 66 -0.748 12.942 0.891 528 HG2 ARG 66 2HG ARG 66 -2.863 14.001 1.487 529 HG3 ARG 66 3HG ARG 66 -3.514 13.616 -0.109 530 HD2 ARG 66 2HD ARG 66 -3.229 11.219 0.362 531 HD3 ARG 66 3HD ARG 66 -2.593 11.609 1.959 532 HE ARG 66 HE ARG 66 -5.128 12.781 1.651 533 HH11 ARG 66 1HH1 ARG 66 -3.720 9.640 1.913 534 HH12 ARG 66 2HH1 ARG 66 -5.079 9.001 2.765 535 HH21 ARG 66 1HH2 ARG 66 -6.862 11.926 2.704 536 HH22 ARG 66 2HH2 ARG 66 -6.828 10.274 3.221 537 H VAL 67 H VAL 67 1.212 15.737 0.334 538 HA VAL 67 HA VAL 67 2.967 14.995 -1.796 539 HB VAL 67 HB VAL 67 3.693 16.019 0.965 540 HG11 VAL 67 1HG1 VAL 67 5.780 16.771 -0.091 541 HG12 VAL 67 2HG1 VAL 67 5.279 16.032 -1.612 542 HG13 VAL 67 3HG1 VAL 67 5.596 15.019 -0.203 543 HG21 VAL 67 3HG2 VAL 67 3.795 18.248 -0.095 544 HG22 VAL 67 1HG2 VAL 67 2.169 17.566 -0.132 545 HG23 VAL 67 2HG2 VAL 67 3.163 17.553 -1.588 546 H HIS 68 H HIS 68 2.531 13.869 1.548 547 HA HIS 68 HA HIS 68 4.228 11.531 0.949 548 HB2 HIS 68 2HB HIS 68 4.524 11.263 3.361 549 HB3 HIS 68 3HB HIS 68 5.003 12.878 2.857 550 HD1 HIS 68 HD1 HIS 68 3.596 14.855 3.736 551 HD2 HIS 68 HD2 HIS 68 2.274 11.140 5.041 552 HE1 HIS 68 HE1 HIS 68 2.005 15.332 5.618 553 HE2 HIS 68 HE2 HIS 68 1.131 13.079 6.315 554 H VAL 69 H VAL 69 3.391 9.538 0.944 555 HA VAL 69 HA VAL 69 0.551 9.149 1.149 556 HB VAL 69 HB VAL 69 2.760 7.098 0.791 557 HG11 VAL 69 1HG1 VAL 69 -0.204 6.866 0.239 558 HG12 VAL 69 2HG1 VAL 69 0.650 6.113 1.586 559 HG13 VAL 69 3HG1 VAL 69 1.014 5.627 -0.070 560 HG21 VAL 69 3HG2 VAL 69 1.048 8.496 -1.274 561 HG22 VAL 69 1HG2 VAL 69 2.220 7.217 -1.600 562 HG23 VAL 69 2HG2 VAL 69 2.765 8.779 -0.989 563 H THR 70 H THR 70 -0.612 8.200 2.771 564 HA THR 70 HA THR 70 0.837 7.540 5.265 565 HB THR 70 HB THR 70 -1.097 8.128 6.526 566 HG1 THR 70 HG1 THR 70 -2.503 8.373 4.048 567 HG21 THR 70 3HG2 THR 70 -0.817 10.130 4.274 568 HG22 THR 70 1HG2 THR 70 0.157 10.075 5.745 569 HG23 THR 70 2HG2 THR 70 -1.564 10.450 5.839 570 H GLN 71 H GLN 71 -0.631 5.982 6.693 571 HA GLN 71 HA GLN 71 -0.701 3.472 5.415 572 HB2 GLN 71 2HB GLN 71 -0.449 3.872 7.884 573 HB3 GLN 71 3HB GLN 71 -2.167 4.251 7.947 574 HG2 GLN 71 2HG GLN 71 -2.644 1.981 7.057 575 HG3 GLN 71 3HG GLN 71 -0.922 1.622 7.165 576 HE21 GLN 71 1HE2 GLN 71 -1.200 -0.014 8.637 577 HE22 GLN 71 2HE2 GLN 71 -1.673 0.266 10.273 578 H GLU 72 H GLU 72 -3.137 5.920 5.931 579 HA GLU 72 HA GLU 72 -5.478 4.478 5.461 580 HB2 GLU 72 2HB GLU 72 -5.528 6.713 6.348 581 HB3 GLU 72 3HB GLU 72 -4.795 7.364 4.888 582 HG2 GLU 72 2HG GLU 72 -6.789 6.838 3.613 583 HG3 GLU 72 3HG GLU 72 -7.517 6.073 5.026 584 H ASP 73 H ASP 73 -3.392 6.174 3.129 585 HA ASP 73 HA ASP 73 -4.912 5.835 0.836 586 HB2 ASP 73 2HB ASP 73 -1.890 5.764 1.061 587 HB3 ASP 73 3HB ASP 73 -2.806 6.100 -0.405 588 H PHE 74 H PHE 74 -2.527 3.609 2.260 589 HA PHE 74 HA PHE 74 -2.639 1.656 0.216 590 HB2 PHE 74 2HB PHE 74 -1.808 1.439 3.116 591 HB3 PHE 74 3HB PHE 74 -1.606 0.145 1.943 592 HD1 PHE 74 HD2 PHE 74 -0.146 0.582 -0.090 593 HD2 PHE 74 HD1 PHE 74 -0.210 3.147 3.310 594 HE1 PHE 74 HE2 PHE 74 2.031 1.518 -0.757 595 HE2 PHE 74 HE1 PHE 74 1.965 4.085 2.648 596 HZ PHE 74 HZ PHE 74 3.088 3.272 0.614 597 H GLU 75 H GLU 75 -4.189 1.638 3.464 598 HA GLU 75 HA GLU 75 -5.530 -0.810 3.088 599 HB2 GLU 75 2HB GLU 75 -6.988 -0.092 4.989 600 HB3 GLU 75 3HB GLU 75 -5.264 0.009 5.314 601 HG2 GLU 75 2HG GLU 75 -5.368 2.443 4.850 602 HG3 GLU 75 3HG GLU 75 -7.115 2.299 4.667 603 H MET 76 H MET 76 -6.537 2.492 2.300 604 HA MET 76 HA MET 76 -9.172 1.822 1.466 605 HB2 MET 76 2HB MET 76 -7.351 4.126 0.760 606 HB3 MET 76 3HB MET 76 -8.989 3.986 0.139 607 HG2 MET 76 2HG MET 76 -8.185 4.203 3.035 608 HG3 MET 76 3HG MET 76 -8.936 5.461 2.053 609 HE1 MET 76 3HE MET 76 -11.434 5.225 1.034 610 HE2 MET 76 1HE MET 76 -12.470 3.833 1.343 611 HE3 MET 76 2HE MET 76 -11.015 3.649 0.361 612 H ALA 77 H ALA 77 -6.058 1.885 -0.207 613 HA ALA 77 HA ALA 77 -6.987 1.338 -2.810 614 HB1 ALA 77 3HB ALA 77 -4.705 2.066 -2.380 615 HB2 ALA 77 1HB ALA 77 -4.704 0.536 -3.257 616 HB3 ALA 77 2HB ALA 77 -4.365 0.561 -1.526 617 H VAL 78 H VAL 78 -6.015 -0.861 -0.176 618 HA VAL 78 HA VAL 78 -6.273 -3.310 -1.454 619 HB VAL 78 HB VAL 78 -7.010 -2.675 1.419 620 HG11 VAL 78 1HG1 VAL 78 -7.923 -4.833 0.736 621 HG12 VAL 78 2HG1 VAL 78 -6.580 -5.060 1.856 622 HG13 VAL 78 3HG1 VAL 78 -6.343 -5.330 0.128 623 HG21 VAL 78 3HG2 VAL 78 -4.722 -2.015 0.882 624 HG22 VAL 78 1HG2 VAL 78 -4.396 -3.618 0.225 625 HG23 VAL 78 2HG2 VAL 78 -4.727 -3.421 1.947 626 H ALA 79 H ALA 79 -8.812 -1.498 0.279 627 HA ALA 79 HA ALA 79 -10.938 -3.270 -0.139 628 HB1 ALA 79 3HB ALA 79 -11.078 -0.258 0.058 629 HB2 ALA 79 1HB ALA 79 -11.015 -1.372 1.425 630 HB3 ALA 79 2HB ALA 79 -12.402 -1.388 0.337 631 H LYS 80 H LYS 80 -9.765 -0.611 -2.198 632 HA LYS 80 HA LYS 80 -11.849 -0.858 -4.132 633 HB2 LYS 80 2HB LYS 80 -10.467 1.204 -3.778 634 HB3 LYS 80 3HB LYS 80 -9.110 0.368 -4.526 635 HG2 LYS 80 2HG LYS 80 -10.397 0.134 -6.603 636 HG3 LYS 80 3HG LYS 80 -11.751 0.982 -5.858 637 HD2 LYS 80 2HD LYS 80 -10.525 2.520 -7.252 638 HD3 LYS 80 3HD LYS 80 -10.287 2.967 -5.562 639 HE2 LYS 80 2HE LYS 80 -8.097 1.974 -5.548 640 HE3 LYS 80 3HE LYS 80 -8.339 1.303 -7.161 641 HZ1 LYS 80 3HZ LYS 80 -8.132 4.179 -6.457 642 HZ2 LYS 80 1HZ LYS 80 -8.491 3.593 -8.002 643 HZ3 LYS 80 2HZ LYS 80 -6.991 3.259 -7.300 644 H VAL 81 H VAL 81 -8.833 -2.528 -3.654 645 HA VAL 81 HA VAL 81 -8.698 -3.576 -6.354 646 HB VAL 81 HB VAL 81 -7.126 -4.324 -3.874 647 HG11 VAL 81 1HG1 VAL 81 -6.684 -5.174 -6.742 648 HG12 VAL 81 2HG1 VAL 81 -7.216 -6.215 -5.422 649 HG13 VAL 81 3HG1 VAL 81 -5.601 -5.509 -5.392 650 HG21 VAL 81 3HG2 VAL 81 -6.368 -2.655 -6.278 651 HG22 VAL 81 1HG2 VAL 81 -5.291 -3.094 -4.953 652 HG23 VAL 81 2HG2 VAL 81 -6.680 -2.052 -4.652 653 H MET 82 H MET 82 -9.120 -5.165 -3.150 654 HA MET 82 HA MET 82 -9.815 -7.664 -4.353 655 HB2 MET 82 2HB MET 82 -10.127 -6.760 -1.481 656 HB3 MET 82 3HB MET 82 -10.277 -8.419 -2.051 657 HG2 MET 82 2HG MET 82 -7.907 -8.224 -2.887 658 HG3 MET 82 3HG MET 82 -7.812 -6.701 -2.006 659 HE1 MET 82 3HE MET 82 -9.618 -10.100 -1.120 660 HE2 MET 82 1HE MET 82 -8.418 -10.844 -0.064 661 HE3 MET 82 2HE MET 82 -8.056 -10.599 -1.774 662 H GLN 83 H GLN 83 -11.695 -4.981 -3.059 663 HA GLN 83 HA GLN 83 -13.912 -4.464 -3.172 664 HB2 GLN 83 2HB GLN 83 -13.783 -6.316 -5.562 665 HB3 GLN 83 3HB GLN 83 -15.081 -5.172 -5.239 666 HG2 GLN 83 2HG GLN 83 -13.659 -3.315 -5.578 667 HG3 GLN 83 3HG GLN 83 -12.213 -4.322 -5.539 668 HE21 GLN 83 1HE2 GLN 83 -11.638 -5.484 -7.357 669 HE22 GLN 83 2HE2 GLN 83 -12.368 -5.214 -8.902 670 H LYS 84 H LYS 84 -14.087 -5.784 -1.117 671 HA LYS 84 HA LYS 84 -15.588 -8.277 -1.431 672 HB2 LYS 84 2HB LYS 84 -13.744 -8.260 0.189 673 HB3 LYS 84 3HB LYS 84 -14.506 -6.936 1.061 674 HG2 LYS 84 2HG LYS 84 -14.819 -9.156 2.125 675 HG3 LYS 84 3HG LYS 84 -16.331 -8.337 1.733 676 HD2 LYS 84 2HD LYS 84 -16.502 -9.700 -0.326 677 HD3 LYS 84 3HD LYS 84 -15.028 -10.552 0.138 678 HE2 LYS 84 2HE LYS 84 -16.083 -11.526 2.034 679 HE3 LYS 84 3HE LYS 84 -17.474 -10.451 1.897 680 HZ1 LYS 84 3HZ LYS 84 -16.731 -12.537 -0.078 681 HZ2 LYS 84 1HZ LYS 84 -18.089 -11.533 -0.148 682 HZ3 LYS 84 2HZ LYS 84 -17.950 -12.683 1.084 683 H ASP 85 H ASP 85 -17.704 -8.546 -0.835 684 HA ASP 85 HA ASP 85 -19.322 -6.159 -0.840 685 HB2 ASP 85 2HB ASP 85 -21.206 -7.750 -1.027 686 HB3 ASP 85 3HB ASP 85 -19.945 -8.060 -2.216 687 H SER 86 H SER 86 -17.745 -7.086 1.680 688 HA SER 86 HA SER 86 -19.902 -7.497 3.599 689 HB2 SER 86 2HB SER 86 -18.068 -7.723 5.265 690 HB3 SER 86 3HB SER 86 -17.891 -8.828 3.904 691 HG SER 86 HG SER 86 -16.552 -6.334 4.192 Start of MODEL 3 1 H1 MET 1 1H MET 1 16.518 -32.942 -0.110 2 H2 MET 1 2H MET 1 15.438 -33.956 0.703 3 H3 MET 1 3H MET 1 16.799 -33.362 1.504 4 HA MET 1 HA MET 1 14.814 -32.185 2.197 5 HB2 MET 1 2HB MET 1 16.719 -30.533 0.518 6 HB3 MET 1 3HB MET 1 15.608 -29.876 1.711 7 HG2 MET 1 2HG MET 1 16.774 -31.108 3.473 8 HG3 MET 1 3HG MET 1 17.889 -31.762 2.271 9 HE1 MET 1 3HE MET 1 20.063 -29.162 4.292 10 HE2 MET 1 1HE MET 1 19.877 -30.854 3.832 11 HE3 MET 1 2HE MET 1 18.737 -30.117 4.955 12 H GLY 2 H GLY 2 12.848 -31.296 1.706 13 HA2 GLY 2 2HA GLY 2 11.935 -31.301 -1.045 14 HA3 GLY 2 3HA GLY 2 10.993 -30.859 0.372 15 H HIS 3 H HIS 3 12.361 -29.653 -2.407 16 HA HIS 3 HA HIS 3 13.273 -27.125 -1.312 17 HB2 HIS 3 2HB HIS 3 13.765 -26.573 -3.732 18 HB3 HIS 3 3HB HIS 3 14.626 -27.950 -3.062 19 HD1 HIS 3 HD1 HIS 3 14.173 -30.249 -4.086 20 HD2 HIS 3 HD2 HIS 3 11.857 -27.221 -5.737 21 HE1 HIS 3 HE1 HIS 3 13.133 -31.245 -6.137 22 HE2 HIS 3 HE2 HIS 3 11.618 -29.449 -7.025 23 H HIS 4 H HIS 4 11.599 -25.940 -0.551 24 HA HIS 4 HA HIS 4 9.489 -25.154 -2.468 25 HB2 HIS 4 2HB HIS 4 9.591 -24.925 0.552 26 HB3 HIS 4 3HB HIS 4 8.305 -24.254 -0.446 27 HD1 HIS 4 HD1 HIS 4 6.433 -25.795 -1.089 28 HD2 HIS 4 HD2 HIS 4 9.672 -27.825 0.550 29 HE1 HIS 4 HE1 HIS 4 5.637 -28.145 -0.721 30 HE2 HIS 4 HE2 HIS 4 7.644 -29.387 0.141 31 H HIS 5 H HIS 5 10.032 -23.321 -3.549 32 HA HIS 5 HA HIS 5 11.763 -21.348 -2.271 33 HB2 HIS 5 2HB HIS 5 10.738 -21.615 -5.100 34 HB3 HIS 5 3HB HIS 5 11.689 -20.237 -4.544 35 HD1 HIS 5 HD1 HIS 5 12.230 -23.110 -6.398 36 HD2 HIS 5 HD2 HIS 5 14.164 -21.511 -3.086 37 HE1 HIS 5 HE1 HIS 5 14.527 -24.118 -6.407 38 HE2 HIS 5 HE2 HIS 5 15.629 -23.241 -4.329 39 H HIS 6 H HIS 6 11.178 -19.389 -1.596 40 HA HIS 6 HA HIS 6 8.407 -18.949 -1.040 41 HB2 HIS 6 2HB HIS 6 10.804 -17.183 -0.502 42 HB3 HIS 6 3HB HIS 6 9.203 -16.990 0.207 43 HD1 HIS 6 HD1 HIS 6 12.392 -18.730 0.678 44 HD2 HIS 6 HD2 HIS 6 8.473 -19.186 1.986 45 HE1 HIS 6 HE1 HIS 6 12.514 -20.285 2.647 46 HE2 HIS 6 HE2 HIS 6 10.146 -20.469 3.479 47 H HIS 7 H HIS 7 7.195 -17.046 -1.527 48 HA HIS 7 HA HIS 7 6.224 -15.550 -2.920 49 HB2 HIS 7 2HB HIS 7 9.089 -15.091 -3.750 50 HB3 HIS 7 3HB HIS 7 7.752 -14.203 -4.471 51 HD1 HIS 7 HD1 HIS 7 10.144 -13.896 -1.855 52 HD2 HIS 7 HD2 HIS 7 6.136 -12.877 -2.279 53 HE1 HIS 7 HE1 HIS 7 9.700 -12.157 -0.100 54 HE2 HIS 7 HE2 HIS 7 7.320 -11.445 -0.478 55 H HIS 8 H HIS 8 7.358 -18.405 -3.916 56 HA HIS 8 HA HIS 8 6.554 -18.082 -6.732 57 HB2 HIS 8 2HB HIS 8 8.755 -19.115 -6.331 58 HB3 HIS 8 3HB HIS 8 8.001 -20.363 -5.348 59 HD1 HIS 8 HD1 HIS 8 7.771 -22.481 -6.571 60 HD2 HIS 8 HD2 HIS 8 7.465 -19.215 -9.123 61 HE1 HIS 8 HE1 HIS 8 7.417 -23.446 -8.858 62 HE2 HIS 8 HE2 HIS 8 7.316 -21.462 -10.395 63 H SER 9 H SER 9 4.984 -18.568 -4.014 64 HA SER 9 HA SER 9 2.842 -20.041 -5.237 65 HB2 SER 9 2HB SER 9 4.073 -21.981 -4.527 66 HB3 SER 9 3HB SER 9 4.365 -21.292 -2.932 67 HG SER 9 HG SER 9 1.797 -21.949 -3.967 68 H HIS 10 H HIS 10 3.346 -20.099 -1.770 69 HA HIS 10 HA HIS 10 1.440 -17.868 -1.460 70 HB2 HIS 10 2HB HIS 10 0.358 -19.976 -0.879 71 HB3 HIS 10 3HB HIS 10 1.674 -20.379 0.220 72 HD1 HIS 10 HD1 HIS 10 1.778 -19.078 2.470 73 HD2 HIS 10 HD2 HIS 10 -1.551 -18.218 0.141 74 HE1 HIS 10 HE1 HIS 10 0.204 -17.849 3.982 75 HE2 HIS 10 HE2 HIS 10 -1.710 -17.172 2.503 76 HA PRO 11 HA PRO 11 5.043 -16.343 0.842 77 HB2 PRO 11 2HB PRO 11 4.303 -13.745 0.886 78 HB3 PRO 11 3HB PRO 11 4.977 -14.501 -0.563 79 HG2 PRO 11 2HG PRO 11 2.112 -13.944 0.125 80 HG3 PRO 11 3HG PRO 11 2.963 -13.692 -1.412 81 HD2 PRO 11 2HD PRO 11 1.369 -15.860 -0.926 82 HD3 PRO 11 3HD PRO 11 2.758 -15.905 -2.031 83 H ASN 12 H ASN 12 5.343 -15.985 3.039 84 HA ASN 12 HA ASN 12 3.123 -16.217 4.816 85 HB2 ASN 12 2HB ASN 12 4.729 -15.991 6.616 86 HB3 ASN 12 3HB ASN 12 5.413 -17.032 5.370 87 HD21 ASN 12 1HD2 ASN 12 7.214 -16.350 4.257 88 HD22 ASN 12 2HD2 ASN 12 8.109 -14.939 4.696 89 H GLU 13 H GLU 13 3.091 -14.527 6.778 90 HA GLU 13 HA GLU 13 1.859 -12.239 5.771 91 HB2 GLU 13 2HB GLU 13 1.399 -13.110 7.999 92 HB3 GLU 13 3HB GLU 13 3.019 -12.675 8.529 93 HG2 GLU 13 2HG GLU 13 2.544 -10.354 8.391 94 HG3 GLU 13 3HG GLU 13 1.043 -10.643 7.513 95 H GLU 14 H GLU 14 5.171 -12.580 7.036 96 HA GLU 14 HA GLU 14 5.820 -9.823 6.677 97 HB2 GLU 14 2HB GLU 14 7.001 -11.417 8.230 98 HB3 GLU 14 3HB GLU 14 7.745 -12.151 6.816 99 HG2 GLU 14 2HG GLU 14 9.279 -10.602 7.839 100 HG3 GLU 14 3HG GLU 14 8.785 -9.996 6.259 101 H ALA 15 H ALA 15 6.075 -12.695 4.665 102 HA ALA 15 HA ALA 15 7.752 -11.627 2.650 103 HB1 ALA 15 3HB ALA 15 7.401 -14.027 2.920 104 HB2 ALA 15 1HB ALA 15 7.019 -13.507 1.279 105 HB3 ALA 15 2HB ALA 15 5.718 -13.844 2.422 106 H ARG 16 H ARG 16 4.192 -11.700 2.947 107 HA ARG 16 HA ARG 16 3.716 -10.382 0.458 108 HB2 ARG 16 2HB ARG 16 1.428 -9.972 1.326 109 HB3 ARG 16 3HB ARG 16 1.925 -11.649 1.508 110 HG2 ARG 16 2HG ARG 16 2.420 -11.241 3.875 111 HG3 ARG 16 3HG ARG 16 1.900 -9.567 3.694 112 HD2 ARG 16 2HD ARG 16 -0.361 -10.295 3.164 113 HD3 ARG 16 3HD ARG 16 0.145 -11.986 3.213 114 HE ARG 16 HE ARG 16 0.770 -10.840 5.678 115 HH11 ARG 16 1HH1 ARG 16 -2.069 -11.515 3.841 116 HH12 ARG 16 2HH1 ARG 16 -3.036 -11.790 5.244 117 HH21 ARG 16 1HH2 ARG 16 -0.504 -11.215 7.478 118 HH22 ARG 16 2HH2 ARG 16 -2.167 -11.627 7.267 119 H LEU 17 H LEU 17 4.302 -9.262 3.748 120 HA LEU 17 HA LEU 17 3.839 -6.498 3.298 121 HB2 LEU 17 2HB LEU 17 3.890 -7.271 5.540 122 HB3 LEU 17 3HB LEU 17 5.457 -8.026 5.329 123 HG LEU 17 HG LEU 17 6.517 -5.809 5.182 124 HD11 LEU 17 1HD1 LEU 17 3.742 -4.749 5.707 125 HD12 LEU 17 2HD1 LEU 17 4.682 -4.552 4.226 126 HD13 LEU 17 3HD1 LEU 17 5.228 -3.796 5.720 127 HD21 LEU 17 3HD2 LEU 17 6.218 -5.145 7.521 128 HD22 LEU 17 1HD2 LEU 17 6.355 -6.895 7.360 129 HD23 LEU 17 2HD2 LEU 17 4.776 -6.155 7.630 130 H ASP 18 H ASP 18 6.699 -8.539 2.947 131 HA ASP 18 HA ASP 18 8.649 -6.578 2.699 132 HB2 ASP 18 2HB ASP 18 8.646 -9.295 2.674 133 HB3 ASP 18 3HB ASP 18 8.977 -8.973 0.976 134 H ILE 19 H ILE 19 6.339 -7.733 0.345 135 HA ILE 19 HA ILE 19 7.437 -6.498 -1.972 136 HB ILE 19 HB ILE 19 4.495 -7.007 -1.453 137 HG12 ILE 19 2HG1 ILE 19 6.489 -8.977 -2.615 138 HG13 ILE 19 3HG1 ILE 19 5.933 -9.023 -0.944 139 HG21 ILE 19 1HG2 ILE 19 4.994 -5.705 -3.459 140 HG22 ILE 19 2HG2 ILE 19 4.394 -7.304 -3.891 141 HG23 ILE 19 3HG2 ILE 19 6.117 -6.949 -4.006 142 HD11 ILE 19 3HD1 ILE 19 3.636 -9.355 -1.731 143 HD12 ILE 19 1HD1 ILE 19 4.727 -10.622 -2.291 144 HD13 ILE 19 2HD1 ILE 19 4.218 -9.346 -3.398 145 H LEU 20 H LEU 20 4.923 -5.478 0.338 146 HA LEU 20 HA LEU 20 4.329 -2.952 -0.700 147 HB2 LEU 20 2HB LEU 20 4.323 -3.973 2.143 148 HB3 LEU 20 3HB LEU 20 3.690 -2.401 1.690 149 HG LEU 20 HG LEU 20 2.642 -4.969 0.492 150 HD11 LEU 20 1HD1 LEU 20 2.338 -5.059 2.921 151 HD12 LEU 20 2HD1 LEU 20 0.801 -4.855 2.080 152 HD13 LEU 20 3HD1 LEU 20 1.557 -3.477 2.883 153 HD21 LEU 20 3HD2 LEU 20 2.174 -2.923 -0.764 154 HD22 LEU 20 1HD2 LEU 20 1.484 -2.184 0.683 155 HD23 LEU 20 2HD2 LEU 20 0.701 -3.582 -0.055 156 H LYS 21 H LYS 21 6.857 -3.920 1.605 157 HA LYS 21 HA LYS 21 7.993 -1.463 2.203 158 HB2 LYS 21 2HB LYS 21 9.475 -4.039 1.621 159 HB3 LYS 21 3HB LYS 21 10.128 -2.656 2.489 160 HG2 LYS 21 2HG LYS 21 8.567 -3.008 4.305 161 HG3 LYS 21 3HG LYS 21 7.792 -4.327 3.418 162 HD2 LYS 21 2HD LYS 21 9.942 -5.545 3.416 163 HD3 LYS 21 3HD LYS 21 10.659 -4.255 4.377 164 HE2 LYS 21 2HE LYS 21 9.135 -4.736 6.203 165 HE3 LYS 21 3HE LYS 21 8.320 -5.965 5.231 166 HZ1 LYS 21 3HZ LYS 21 9.877 -6.998 6.724 167 HZ2 LYS 21 1HZ LYS 21 11.145 -6.036 6.150 168 HZ3 LYS 21 2HZ LYS 21 10.431 -7.187 5.137 169 H ILE 22 H ILE 22 8.883 -3.614 -0.507 170 HA ILE 22 HA ILE 22 10.839 -1.978 -1.644 171 HB ILE 22 HB ILE 22 9.033 -3.925 -3.102 172 HG12 ILE 22 2HG1 ILE 22 11.756 -4.362 -1.828 173 HG13 ILE 22 3HG1 ILE 22 10.225 -4.941 -1.180 174 HG21 ILE 22 1HG2 ILE 22 11.736 -2.792 -3.855 175 HG22 ILE 22 2HG2 ILE 22 10.197 -2.442 -4.643 176 HG23 ILE 22 3HG2 ILE 22 10.883 -4.064 -4.734 177 HD11 ILE 22 3HD1 ILE 22 11.463 -6.703 -2.320 178 HD12 ILE 22 1HD1 ILE 22 11.429 -5.767 -3.814 179 HD13 ILE 22 2HD1 ILE 22 9.925 -6.374 -3.118 180 H HIS 23 H HIS 23 7.391 -2.242 -2.614 181 HA HIS 23 HA HIS 23 7.594 -0.314 -4.687 182 HB2 HIS 23 2HB HIS 23 5.214 -1.450 -3.216 183 HB3 HIS 23 3HB HIS 23 5.050 -0.287 -4.528 184 HD1 HIS 23 HD1 HIS 23 5.406 -1.120 -6.902 185 HD2 HIS 23 HD2 HIS 23 6.140 -4.032 -4.030 186 HE1 HIS 23 HE1 HIS 23 5.631 -3.268 -8.169 187 HE2 HIS 23 HE2 HIS 23 6.173 -5.000 -6.432 188 H SER 24 H SER 24 7.019 0.024 -1.251 189 HA SER 24 HA SER 24 5.999 2.711 -1.432 190 HB2 SER 24 2HB SER 24 6.126 2.749 0.999 191 HB3 SER 24 3HB SER 24 5.427 1.222 0.466 192 HG SER 24 HG SER 24 7.160 0.166 1.133 193 H ARG 25 H ARG 25 9.127 1.413 -1.680 194 HA ARG 25 HA ARG 25 10.663 3.355 -0.326 195 HB2 ARG 25 2HB ARG 25 11.449 1.761 -2.778 196 HB3 ARG 25 3HB ARG 25 12.554 2.624 -1.721 197 HG2 ARG 25 2HG ARG 25 10.899 0.199 -1.038 198 HG3 ARG 25 3HG ARG 25 12.650 0.284 -1.207 199 HD2 ARG 25 2HD ARG 25 12.303 0.280 1.106 200 HD3 ARG 25 3HD ARG 25 12.560 1.980 0.720 201 HE ARG 25 HE ARG 25 9.799 1.123 0.752 202 HH11 ARG 25 1HH1 ARG 25 12.379 2.469 2.611 203 HH12 ARG 25 2HH1 ARG 25 11.302 3.180 3.763 204 HH21 ARG 25 1HH2 ARG 25 8.452 2.035 2.234 205 HH22 ARG 25 2HH2 ARG 25 9.119 2.942 3.553 206 H LYS 26 H LYS 26 9.039 3.496 -3.398 207 HA LYS 26 HA LYS 26 10.508 5.872 -4.243 208 HB2 LYS 26 2HB LYS 26 8.260 4.335 -5.561 209 HB3 LYS 26 3HB LYS 26 9.035 5.750 -6.262 210 HG2 LYS 26 2HG LYS 26 11.182 4.554 -6.286 211 HG3 LYS 26 3HG LYS 26 10.384 3.130 -5.613 212 HD2 LYS 26 2HD LYS 26 8.970 2.955 -7.586 213 HD3 LYS 26 3HD LYS 26 9.671 4.432 -8.250 214 HE2 LYS 26 2HE LYS 26 10.649 2.462 -9.301 215 HE3 LYS 26 3HE LYS 26 11.862 3.339 -8.367 216 HZ1 LYS 26 3HZ LYS 26 10.420 0.913 -7.447 217 HZ2 LYS 26 1HZ LYS 26 11.633 1.728 -6.597 218 HZ3 LYS 26 2HZ LYS 26 11.999 0.940 -8.045 219 H MET 27 H MET 27 7.913 5.286 -2.226 220 HA MET 27 HA MET 27 6.708 7.924 -2.811 221 HB2 MET 27 2HB MET 27 5.328 5.492 -1.641 222 HB3 MET 27 3HB MET 27 4.584 7.064 -1.907 223 HG2 MET 27 2HG MET 27 4.997 6.815 -4.326 224 HG3 MET 27 3HG MET 27 5.641 5.201 -4.024 225 HE1 MET 27 3HE MET 27 2.422 3.415 -2.551 226 HE2 MET 27 1HE MET 27 3.608 4.330 -1.615 227 HE3 MET 27 2HE MET 27 4.142 3.239 -2.894 228 H ASN 28 H ASN 28 6.344 9.318 -1.120 229 HA ASN 28 HA ASN 28 7.925 8.955 1.239 230 HB2 ASN 28 2HB ASN 28 5.866 11.092 0.635 231 HB3 ASN 28 3HB ASN 28 7.101 11.162 1.888 232 HD21 ASN 28 1HD2 ASN 28 6.597 12.914 -0.402 233 HD22 ASN 28 2HD2 ASN 28 8.078 12.954 -1.291 234 H LEU 29 H LEU 29 7.285 7.600 2.826 235 HA LEU 29 HA LEU 29 4.471 7.181 3.402 236 HB2 LEU 29 2HB LEU 29 6.953 6.080 4.728 237 HB3 LEU 29 3HB LEU 29 5.313 5.600 5.118 238 HG LEU 29 HG LEU 29 6.717 5.155 2.477 239 HD11 LEU 29 1HD1 LEU 29 7.493 3.685 4.266 240 HD12 LEU 29 2HD1 LEU 29 6.569 2.793 3.058 241 HD13 LEU 29 3HD1 LEU 29 5.828 3.209 4.605 242 HD21 LEU 29 3HD2 LEU 29 4.710 3.887 1.844 243 HD22 LEU 29 1HD2 LEU 29 4.348 5.591 2.112 244 HD23 LEU 29 2HD2 LEU 29 3.922 4.395 3.338 245 H THR 30 H THR 30 3.476 7.557 5.460 246 HA THR 30 HA THR 30 4.375 9.970 6.766 247 HB THR 30 HB THR 30 1.972 9.602 6.411 248 HG1 THR 30 HG1 THR 30 1.374 10.355 8.429 249 HG21 THR 30 3HG2 THR 30 0.737 7.989 7.786 250 HG22 THR 30 1HG2 THR 30 2.257 7.373 8.439 251 HG23 THR 30 2HG2 THR 30 1.885 7.171 6.726 252 H ARG 31 H ARG 31 4.125 9.973 9.289 253 HA ARG 31 HA ARG 31 6.427 8.587 10.202 254 HB2 ARG 31 2HB ARG 31 4.383 10.124 11.818 255 HB3 ARG 31 3HB ARG 31 6.007 9.689 12.339 256 HG2 ARG 31 2HG ARG 31 6.948 11.092 10.552 257 HG3 ARG 31 3HG ARG 31 5.315 11.543 10.060 258 HD2 ARG 31 2HD ARG 31 4.938 12.520 12.298 259 HD3 ARG 31 3HD ARG 31 6.595 12.107 12.740 260 HE ARG 31 HE ARG 31 6.386 13.733 10.379 261 HH11 ARG 31 1HH1 ARG 31 6.672 13.727 13.810 262 HH12 ARG 31 2HH1 ARG 31 7.195 15.373 13.879 263 HH21 ARG 31 1HH2 ARG 31 7.085 15.826 10.471 264 HH22 ARG 31 2HH2 ARG 31 7.453 16.540 12.003 265 H GLY 32 H GLY 32 6.523 6.512 10.787 266 HA2 GLY 32 2HA GLY 32 6.116 4.596 11.994 267 HA3 GLY 32 3HA GLY 32 4.929 5.498 12.919 268 H ILE 33 H ILE 33 4.602 5.274 9.452 269 HA ILE 33 HA ILE 33 1.993 4.288 9.546 270 HB ILE 33 HB ILE 33 2.860 5.447 7.588 271 HG12 ILE 33 2HG1 ILE 33 2.005 2.618 6.889 272 HG13 ILE 33 3HG1 ILE 33 0.913 3.927 7.330 273 HG21 ILE 33 1HG2 ILE 33 4.363 4.329 5.994 274 HG22 ILE 33 2HG2 ILE 33 4.540 2.983 7.118 275 HG23 ILE 33 3HG2 ILE 33 5.129 4.585 7.562 276 HD11 ILE 33 3HD1 ILE 33 0.967 3.579 4.928 277 HD12 ILE 33 1HD1 ILE 33 2.706 3.865 4.911 278 HD13 ILE 33 2HD1 ILE 33 1.602 5.171 5.346 279 H ASN 34 H ASN 34 1.202 2.333 10.031 280 HA ASN 34 HA ASN 34 2.966 0.046 10.245 281 HB2 ASN 34 2HB ASN 34 1.161 0.557 11.924 282 HB3 ASN 34 3HB ASN 34 -0.029 0.129 10.700 283 HD21 ASN 34 1HD2 ASN 34 0.339 -1.124 13.226 284 HD22 ASN 34 2HD2 ASN 34 0.774 -2.769 12.931 285 H LEU 35 H LEU 35 3.555 -0.483 8.141 286 HA LEU 35 HA LEU 35 1.678 -0.896 6.030 287 HB2 LEU 35 2HB LEU 35 4.536 -1.827 6.339 288 HB3 LEU 35 3HB LEU 35 3.601 -1.992 4.866 289 HG LEU 35 HG LEU 35 4.398 0.622 6.165 290 HD11 LEU 35 1HD1 LEU 35 6.288 -0.543 5.155 291 HD12 LEU 35 2HD1 LEU 35 5.856 0.888 4.220 292 HD13 LEU 35 3HD1 LEU 35 5.392 -0.714 3.644 293 HD21 LEU 35 3HD2 LEU 35 2.252 0.824 5.033 294 HD22 LEU 35 1HD2 LEU 35 2.927 0.086 3.578 295 HD23 LEU 35 2HD2 LEU 35 3.508 1.661 4.123 296 H ARG 36 H ARG 36 3.004 -2.971 8.532 297 HA ARG 36 HA ARG 36 2.381 -5.465 7.341 298 HB2 ARG 36 2HB ARG 36 3.958 -5.197 9.235 299 HB3 ARG 36 3HB ARG 36 2.607 -4.797 10.288 300 HG2 ARG 36 2HG ARG 36 1.708 -7.003 10.109 301 HG3 ARG 36 3HG ARG 36 2.842 -7.426 8.826 302 HD2 ARG 36 2HD ARG 36 3.644 -6.711 11.651 303 HD3 ARG 36 3HD ARG 36 3.446 -8.360 11.060 304 HE ARG 36 HE ARG 36 5.302 -7.917 9.516 305 HH11 ARG 36 1HH1 ARG 36 4.943 -5.762 12.191 306 HH12 ARG 36 2HH1 ARG 36 6.610 -5.299 12.170 307 HH21 ARG 36 1HH2 ARG 36 7.425 -7.319 9.523 308 HH22 ARG 36 2HH2 ARG 36 7.992 -6.170 10.693 309 H LYS 37 H LYS 37 0.532 -3.270 9.388 310 HA LYS 37 HA LYS 37 -1.754 -4.852 9.809 311 HB2 LYS 37 2HB LYS 37 -1.296 -2.752 11.006 312 HB3 LYS 37 3HB LYS 37 -1.521 -1.842 9.523 313 HG2 LYS 37 2HG LYS 37 -3.787 -3.536 10.388 314 HG3 LYS 37 3HG LYS 37 -3.420 -2.126 11.381 315 HD2 LYS 37 2HD LYS 37 -3.427 -0.797 9.183 316 HD3 LYS 37 3HD LYS 37 -4.192 -2.219 8.468 317 HE2 LYS 37 2HE LYS 37 -6.036 -2.060 10.020 318 HE3 LYS 37 3HE LYS 37 -5.239 -0.748 10.884 319 HZ1 LYS 37 3HZ LYS 37 -5.471 0.650 8.936 320 HZ2 LYS 37 1HZ LYS 37 -6.981 0.051 9.399 321 HZ3 LYS 37 2HZ LYS 37 -6.180 -0.611 8.070 322 H ILE 38 H ILE 38 -0.795 -2.816 7.102 323 HA ILE 38 HA ILE 38 -3.179 -3.122 5.571 324 HB ILE 38 HB ILE 38 -0.364 -2.579 4.601 325 HG12 ILE 38 2HG1 ILE 38 -1.035 -0.902 6.227 326 HG13 ILE 38 3HG1 ILE 38 -1.062 -0.191 4.619 327 HG21 ILE 38 1HG2 ILE 38 -1.837 -3.320 2.800 328 HG22 ILE 38 2HG2 ILE 38 -1.432 -1.613 2.622 329 HG23 ILE 38 3HG2 ILE 38 -3.016 -2.083 3.240 330 HD11 ILE 38 3HD1 ILE 38 -3.489 -0.432 4.551 331 HD12 ILE 38 1HD1 ILE 38 -2.968 0.523 5.937 332 HD13 ILE 38 2HD1 ILE 38 -3.462 -1.154 6.162 333 H ALA 39 H ALA 39 -0.052 -4.826 5.561 334 HA ALA 39 HA ALA 39 -0.534 -6.671 3.533 335 HB1 ALA 39 3HB ALA 39 1.195 -8.041 4.566 336 HB2 ALA 39 1HB ALA 39 1.048 -7.126 6.066 337 HB3 ALA 39 2HB ALA 39 1.653 -6.339 4.609 338 H GLU 40 H GLU 40 -1.451 -6.817 6.960 339 HA GLU 40 HA GLU 40 -2.467 -9.432 7.022 340 HB2 GLU 40 2HB GLU 40 -3.338 -7.000 8.596 341 HB3 GLU 40 3HB GLU 40 -3.827 -8.650 8.962 342 HG2 GLU 40 2HG GLU 40 -1.445 -9.237 9.308 343 HG3 GLU 40 3HG GLU 40 -1.023 -7.543 9.054 344 H LEU 41 H LEU 41 -3.836 -6.487 5.750 345 HA LEU 41 HA LEU 41 -6.539 -7.465 5.572 346 HB2 LEU 41 2HB LEU 41 -5.271 -5.143 4.112 347 HB3 LEU 41 3HB LEU 41 -6.990 -5.434 4.312 348 HG LEU 41 HG LEU 41 -5.028 -4.740 6.508 349 HD11 LEU 41 1HD1 LEU 41 -6.332 -2.670 6.688 350 HD12 LEU 41 2HD1 LEU 41 -7.299 -3.163 5.297 351 HD13 LEU 41 3HD1 LEU 41 -5.576 -2.839 5.104 352 HD21 LEU 41 3HD2 LEU 41 -6.993 -4.653 7.982 353 HD22 LEU 41 1HD2 LEU 41 -6.714 -6.275 7.354 354 HD23 LEU 41 2HD2 LEU 41 -7.998 -5.274 6.673 355 H MET 42 H MET 42 -3.801 -8.244 3.884 356 HA MET 42 HA MET 42 -5.215 -8.872 1.375 357 HB2 MET 42 2HB MET 42 -2.254 -9.037 2.004 358 HB3 MET 42 3HB MET 42 -2.994 -9.234 0.421 359 HG2 MET 42 2HG MET 42 -3.194 -6.693 2.020 360 HG3 MET 42 3HG MET 42 -1.902 -7.008 0.865 361 HE1 MET 42 3HE MET 42 -3.735 -7.158 -2.530 362 HE2 MET 42 1HE MET 42 -3.274 -8.516 -1.501 363 HE3 MET 42 2HE MET 42 -2.185 -7.141 -1.690 364 HA PRO 43 HA PRO 43 -5.192 -12.898 3.639 365 HB2 PRO 43 2HB PRO 43 -7.617 -13.770 2.884 366 HB3 PRO 43 3HB PRO 43 -7.418 -12.516 4.117 367 HG2 PRO 43 2HG PRO 43 -8.091 -12.218 1.206 368 HG3 PRO 43 3HG PRO 43 -8.823 -11.416 2.609 369 HD2 PRO 43 2HD PRO 43 -6.917 -10.250 1.025 370 HD3 PRO 43 3HD PRO 43 -7.151 -9.843 2.735 371 H GLY 44 H GLY 44 -5.688 -12.326 0.198 372 HA2 GLY 44 2HA GLY 44 -4.292 -14.794 -0.433 373 HA3 GLY 44 3HA GLY 44 -5.978 -14.780 -0.919 374 H ALA 45 H ALA 45 -2.806 -13.410 -1.493 375 HA ALA 45 HA ALA 45 -3.538 -12.716 -4.205 376 HB1 ALA 45 3HB ALA 45 -2.920 -10.346 -4.033 377 HB2 ALA 45 1HB ALA 45 -2.705 -10.529 -2.292 378 HB3 ALA 45 2HB ALA 45 -4.304 -10.727 -3.009 379 H SER 46 H SER 46 -1.532 -11.376 -5.172 380 HA SER 46 HA SER 46 1.000 -12.485 -4.145 381 HB2 SER 46 2HB SER 46 1.712 -13.153 -6.372 382 HB3 SER 46 3HB SER 46 0.167 -13.926 -6.016 383 HG SER 46 HG SER 46 -0.859 -12.319 -7.272 384 H GLY 47 H GLY 47 2.829 -11.527 -5.791 385 HA2 GLY 47 2HA GLY 47 3.242 -8.911 -5.047 386 HA3 GLY 47 3HA GLY 47 4.027 -9.670 -6.418 387 H ALA 48 H ALA 48 1.630 -9.992 -8.027 388 HA ALA 48 HA ALA 48 1.617 -7.496 -9.340 389 HB1 ALA 48 3HB ALA 48 -0.399 -9.726 -9.616 390 HB2 ALA 48 1HB ALA 48 1.149 -9.639 -10.459 391 HB3 ALA 48 2HB ALA 48 -0.096 -8.432 -10.777 392 H GLU 49 H GLU 49 -0.884 -9.012 -7.275 393 HA GLU 49 HA GLU 49 -2.721 -6.868 -7.385 394 HB2 GLU 49 2HB GLU 49 -2.318 -8.983 -5.258 395 HB3 GLU 49 3HB GLU 49 -3.665 -7.855 -5.271 396 HG2 GLU 49 2HG GLU 49 -4.468 -9.889 -6.161 397 HG3 GLU 49 3HG GLU 49 -4.298 -8.782 -7.520 398 H VAL 50 H VAL 50 -0.145 -7.634 -5.069 399 HA VAL 50 HA VAL 50 -0.548 -5.506 -3.288 400 HB VAL 50 HB VAL 50 2.075 -6.837 -4.020 401 HG11 VAL 50 1HG1 VAL 50 1.312 -5.220 -1.579 402 HG12 VAL 50 2HG1 VAL 50 2.451 -4.743 -2.839 403 HG13 VAL 50 3HG1 VAL 50 2.826 -6.106 -1.785 404 HG21 VAL 50 3HG2 VAL 50 0.096 -7.502 -1.828 405 HG22 VAL 50 1HG2 VAL 50 1.662 -8.275 -2.076 406 HG23 VAL 50 2HG2 VAL 50 0.390 -8.453 -3.284 407 H LYS 51 H LYS 51 1.322 -5.650 -6.305 408 HA LYS 51 HA LYS 51 2.460 -3.076 -6.213 409 HB2 LYS 51 2HB LYS 51 3.175 -4.748 -7.842 410 HB3 LYS 51 3HB LYS 51 1.588 -4.722 -8.601 411 HG2 LYS 51 2HG LYS 51 1.944 -2.406 -9.299 412 HG3 LYS 51 3HG LYS 51 3.519 -2.402 -8.501 413 HD2 LYS 51 2HD LYS 51 3.770 -2.750 -10.901 414 HD3 LYS 51 3HD LYS 51 4.287 -4.181 -10.006 415 HE2 LYS 51 2HE LYS 51 2.111 -5.237 -10.469 416 HE3 LYS 51 3HE LYS 51 1.624 -3.814 -11.389 417 HZ1 LYS 51 3HZ LYS 51 2.394 -5.534 -12.858 418 HZ2 LYS 51 1HZ LYS 51 3.869 -5.644 -12.039 419 HZ3 LYS 51 2HZ LYS 51 3.486 -4.242 -12.904 420 H GLY 52 H GLY 52 -0.664 -4.203 -7.466 421 HA2 GLY 52 2HA GLY 52 -1.651 -1.778 -8.468 422 HA3 GLY 52 3HA GLY 52 -2.639 -3.088 -7.842 423 H VAL 53 H VAL 53 -2.087 -3.180 -5.218 424 HA VAL 53 HA VAL 53 -3.535 -1.140 -4.023 425 HB VAL 53 HB VAL 53 -1.418 -2.904 -2.763 426 HG11 VAL 53 1HG1 VAL 53 -1.858 -0.964 -1.342 427 HG12 VAL 53 2HG1 VAL 53 -2.514 -2.432 -0.620 428 HG13 VAL 53 3HG1 VAL 53 -3.591 -1.287 -1.420 429 HG21 VAL 53 3HG2 VAL 53 -3.228 -4.165 -3.810 430 HG22 VAL 53 1HG2 VAL 53 -4.420 -3.222 -2.915 431 HG23 VAL 53 2HG2 VAL 53 -3.314 -4.292 -2.053 432 H CYS 54 H CYS 54 0.010 -1.473 -4.211 433 HA CYS 54 HA CYS 54 0.682 0.870 -2.809 434 HB2 CYS 54 2HB CYS 54 2.215 -0.524 -5.019 435 HB3 CYS 54 3HB CYS 54 2.886 0.688 -3.932 436 HG CYS 54 HG CYS 54 1.607 -2.290 -2.829 437 H THR 55 H THR 55 -0.021 0.347 -6.235 438 HA THR 55 HA THR 55 0.676 2.949 -7.140 439 HB THR 55 HB THR 55 -1.304 0.996 -8.356 440 HG1 THR 55 HG1 THR 55 0.831 0.154 -8.205 441 HG21 THR 55 3HG2 THR 55 -0.924 2.218 -10.450 442 HG22 THR 55 1HG2 THR 55 0.115 3.365 -9.601 443 HG23 THR 55 2HG2 THR 55 -1.605 3.280 -9.219 444 H GLU 56 H GLU 56 -2.423 1.509 -6.142 445 HA GLU 56 HA GLU 56 -4.133 3.648 -6.613 446 HB2 GLU 56 2HB GLU 56 -4.222 1.699 -4.295 447 HB3 GLU 56 3HB GLU 56 -5.564 2.691 -4.840 448 HG2 GLU 56 2HG GLU 56 -4.224 0.575 -6.517 449 HG3 GLU 56 3HG GLU 56 -5.672 0.312 -5.550 450 H ALA 57 H ALA 57 -2.345 2.890 -3.623 451 HA ALA 57 HA ALA 57 -3.119 5.044 -2.056 452 HB1 ALA 57 3HB ALA 57 -1.845 3.108 -1.230 453 HB2 ALA 57 1HB ALA 57 -1.108 4.638 -0.748 454 HB3 ALA 57 2HB ALA 57 -0.412 3.701 -2.072 455 H GLY 58 H GLY 58 -0.305 4.851 -4.260 456 HA2 GLY 58 2HA GLY 58 0.691 7.443 -3.868 457 HA3 GLY 58 3HA GLY 58 0.888 6.501 -5.338 458 H MET 59 H MET 59 -1.840 6.307 -6.080 459 HA MET 59 HA MET 59 -2.239 8.729 -7.474 460 HB2 MET 59 2HB MET 59 -4.184 6.484 -6.876 461 HB3 MET 59 3HB MET 59 -4.493 7.784 -8.017 462 HG2 MET 59 2HG MET 59 -2.032 6.158 -8.391 463 HG3 MET 59 3HG MET 59 -3.583 5.421 -8.779 464 HE1 MET 59 3HE MET 59 -0.971 8.194 -9.684 465 HE2 MET 59 1HE MET 59 -2.341 9.210 -9.236 466 HE3 MET 59 2HE MET 59 -1.816 9.131 -10.916 467 H TYR 60 H TYR 60 -3.730 7.464 -4.507 468 HA TYR 60 HA TYR 60 -5.666 9.524 -4.247 469 HB2 TYR 60 2HB TYR 60 -4.548 7.745 -2.066 470 HB3 TYR 60 3HB TYR 60 -6.070 8.632 -2.018 471 HD1 TYR 60 HD2 TYR 60 -6.740 7.982 -5.010 472 HD2 TYR 60 HD1 TYR 60 -5.599 5.580 -1.681 473 HE1 TYR 60 HE2 TYR 60 -7.851 6.046 -6.031 474 HE2 TYR 60 HE1 TYR 60 -6.702 3.637 -2.704 475 HH TYR 60 HH TYR 60 -7.643 3.559 -5.927 476 H ALA 61 H ALA 61 -2.371 9.189 -3.021 477 HA ALA 61 HA ALA 61 -2.382 11.495 -1.364 478 HB1 ALA 61 3HB ALA 61 -0.670 9.775 -1.171 479 HB2 ALA 61 1HB ALA 61 0.063 11.350 -1.471 480 HB3 ALA 61 2HB ALA 61 -0.063 10.172 -2.779 481 H LEU 62 H LEU 62 -1.399 11.026 -4.764 482 HA LEU 62 HA LEU 62 -0.463 13.646 -5.214 483 HB2 LEU 62 2HB LEU 62 -1.540 11.600 -7.155 484 HB3 LEU 62 3HB LEU 62 -0.747 13.087 -7.640 485 HG LEU 62 HG LEU 62 0.525 10.836 -6.067 486 HD11 LEU 62 1HD1 LEU 62 0.988 11.734 -8.912 487 HD12 LEU 62 2HD1 LEU 62 0.124 10.277 -8.420 488 HD13 LEU 62 3HD1 LEU 62 1.843 10.441 -8.069 489 HD21 LEU 62 3HD2 LEU 62 1.445 12.992 -5.410 490 HD22 LEU 62 1HD2 LEU 62 1.723 13.409 -7.102 491 HD23 LEU 62 2HD2 LEU 62 2.617 12.082 -6.360 492 H ARG 63 H ARG 63 -3.698 12.239 -5.820 493 HA ARG 63 HA ARG 63 -4.715 14.574 -7.086 494 HB2 ARG 63 2HB ARG 63 -6.933 13.541 -6.805 495 HB3 ARG 63 3HB ARG 63 -5.750 12.439 -7.488 496 HG2 ARG 63 2HG ARG 63 -5.447 11.527 -5.137 497 HG3 ARG 63 3HG ARG 63 -6.894 12.443 -4.708 498 HD2 ARG 63 2HD ARG 63 -7.380 10.083 -5.286 499 HD3 ARG 63 3HD ARG 63 -8.200 11.230 -6.348 500 HE ARG 63 HE ARG 63 -5.726 10.491 -7.479 501 HH11 ARG 63 1HH1 ARG 63 -8.838 9.155 -6.854 502 HH12 ARG 63 2HH1 ARG 63 -8.786 8.125 -8.244 503 HH21 ARG 63 1HH2 ARG 63 -5.673 9.167 -9.236 504 HH22 ARG 63 2HH2 ARG 63 -7.008 8.110 -9.556 505 H GLU 64 H GLU 64 -4.263 13.789 -3.764 506 HA GLU 64 HA GLU 64 -5.937 16.050 -2.902 507 HB2 GLU 64 2HB GLU 64 -4.469 13.905 -1.352 508 HB3 GLU 64 3HB GLU 64 -5.322 15.244 -0.594 509 HG2 GLU 64 2HG GLU 64 -7.422 14.485 -1.577 510 HG3 GLU 64 3HG GLU 64 -6.575 13.159 -2.378 511 H ARG 65 H ARG 65 -2.981 15.747 -4.139 512 HA ARG 65 HA ARG 65 -1.048 16.930 -4.130 513 HB2 ARG 65 2HB ARG 65 -2.837 18.941 -2.752 514 HB3 ARG 65 3HB ARG 65 -1.177 19.296 -3.206 515 HG2 ARG 65 2HG ARG 65 -2.568 20.176 -4.915 516 HG3 ARG 65 3HG ARG 65 -1.790 18.740 -5.575 517 HD2 ARG 65 2HD ARG 65 -3.857 17.448 -5.068 518 HD3 ARG 65 3HD ARG 65 -4.621 18.948 -4.544 519 HE ARG 65 HE ARG 65 -3.568 19.084 -7.211 520 HH11 ARG 65 1HH1 ARG 65 -6.277 18.156 -5.294 521 HH12 ARG 65 2HH1 ARG 65 -7.387 18.257 -6.616 522 HH21 ARG 65 1HH2 ARG 65 -5.000 19.199 -8.902 523 HH22 ARG 65 2HH2 ARG 65 -6.670 18.826 -8.641 524 H ARG 66 H ARG 66 -1.685 15.135 -1.821 525 HA ARG 66 HA ARG 66 -0.310 16.280 0.440 526 HB2 ARG 66 2HB ARG 66 -1.401 13.534 -0.169 527 HB3 ARG 66 3HB ARG 66 -0.416 13.830 1.260 528 HG2 ARG 66 2HG ARG 66 -2.035 15.543 1.993 529 HG3 ARG 66 3HG ARG 66 -3.039 15.169 0.592 530 HD2 ARG 66 2HD ARG 66 -2.239 13.065 2.596 531 HD3 ARG 66 3HD ARG 66 -3.658 14.084 2.829 532 HE ARG 66 HE ARG 66 -4.497 13.153 0.700 533 HH11 ARG 66 1HH1 ARG 66 -2.068 11.383 2.391 534 HH12 ARG 66 2HH1 ARG 66 -2.629 9.856 1.803 535 HH21 ARG 66 1HH2 ARG 66 -5.180 11.188 -0.059 536 HH22 ARG 66 2HH2 ARG 66 -4.355 9.748 0.436 537 H VAL 67 H VAL 67 1.754 15.864 1.153 538 HA VAL 67 HA VAL 67 3.657 15.094 -0.895 539 HB VAL 67 HB VAL 67 4.170 16.008 1.948 540 HG11 VAL 67 1HG1 VAL 67 6.427 16.559 1.144 541 HG12 VAL 67 2HG1 VAL 67 6.036 15.862 -0.428 542 HG13 VAL 67 3HG1 VAL 67 6.088 14.834 1.004 543 HG21 VAL 67 3HG2 VAL 67 4.593 18.222 0.972 544 HG22 VAL 67 1HG2 VAL 67 2.936 17.694 0.681 545 HG23 VAL 67 2HG2 VAL 67 4.128 17.612 -0.617 546 H HIS 68 H HIS 68 2.221 13.627 1.910 547 HA HIS 68 HA HIS 68 3.911 11.256 1.467 548 HB2 HIS 68 2HB HIS 68 3.893 10.857 3.970 549 HB3 HIS 68 3HB HIS 68 4.906 12.178 3.405 550 HD1 HIS 68 HD1 HIS 68 4.587 14.360 4.532 551 HD2 HIS 68 HD2 HIS 68 1.350 11.823 5.135 552 HE1 HIS 68 HE1 HIS 68 3.113 15.532 6.186 553 HE2 HIS 68 HE2 HIS 68 1.210 13.945 6.610 554 H VAL 69 H VAL 69 2.933 9.319 1.546 555 HA VAL 69 HA VAL 69 0.058 9.209 1.481 556 HB VAL 69 HB VAL 69 2.022 6.898 1.401 557 HG11 VAL 69 1HG1 VAL 69 -0.828 7.130 0.427 558 HG12 VAL 69 2HG1 VAL 69 -0.271 6.206 1.822 559 HG13 VAL 69 3HG1 VAL 69 0.223 5.732 0.197 560 HG21 VAL 69 3HG2 VAL 69 2.586 8.516 -0.342 561 HG22 VAL 69 1HG2 VAL 69 0.912 8.516 -0.901 562 HG23 VAL 69 2HG2 VAL 69 1.891 7.056 -1.049 563 H THR 70 H THR 70 -1.308 8.029 2.878 564 HA THR 70 HA THR 70 -0.215 7.589 5.593 565 HB THR 70 HB THR 70 -2.357 8.103 6.515 566 HG1 THR 70 HG1 THR 70 -3.403 8.316 3.860 567 HG21 THR 70 3HG2 THR 70 -1.840 10.057 4.262 568 HG22 THR 70 1HG2 THR 70 -1.049 10.072 5.841 569 HG23 THR 70 2HG2 THR 70 -2.782 10.379 5.718 570 H GLN 71 H GLN 71 -1.528 5.930 6.897 571 HA GLN 71 HA GLN 71 -1.477 3.407 5.670 572 HB2 GLN 71 2HB GLN 71 -1.318 3.673 8.092 573 HB3 GLN 71 3HB GLN 71 -2.964 4.292 8.160 574 HG2 GLN 71 2HG GLN 71 -3.789 2.113 7.340 575 HG3 GLN 71 3HG GLN 71 -2.136 1.508 7.352 576 HE21 GLN 71 1HE2 GLN 71 -1.153 1.058 9.325 577 HE22 GLN 71 2HE2 GLN 71 -2.051 0.937 10.797 578 H GLU 72 H GLU 72 -4.101 5.710 6.095 579 HA GLU 72 HA GLU 72 -6.315 4.149 5.493 580 HB2 GLU 72 2HB GLU 72 -6.528 6.435 6.305 581 HB3 GLU 72 3HB GLU 72 -5.802 7.058 4.828 582 HG2 GLU 72 2HG GLU 72 -7.725 6.151 3.547 583 HG3 GLU 72 3HG GLU 72 -8.462 5.651 5.068 584 H ASP 73 H ASP 73 -4.201 5.935 3.246 585 HA ASP 73 HA ASP 73 -5.627 5.466 0.898 586 HB2 ASP 73 2HB ASP 73 -2.632 5.763 1.228 587 HB3 ASP 73 3HB ASP 73 -3.524 5.974 -0.276 588 H PHE 74 H PHE 74 -3.151 3.468 2.456 589 HA PHE 74 HA PHE 74 -3.006 1.522 0.387 590 HB2 PHE 74 2HB PHE 74 -2.179 1.479 3.289 591 HB3 PHE 74 3HB PHE 74 -1.967 0.087 2.235 592 HD1 PHE 74 HD2 PHE 74 -0.439 0.215 0.295 593 HD2 PHE 74 HD1 PHE 74 -0.721 3.371 3.150 594 HE1 PHE 74 HE2 PHE 74 1.703 1.127 -0.501 595 HE2 PHE 74 HE1 PHE 74 1.418 4.283 2.352 596 HZ PHE 74 HZ PHE 74 2.635 3.160 0.527 597 H GLU 75 H GLU 75 -4.730 1.478 3.543 598 HA GLU 75 HA GLU 75 -5.851 -1.093 3.174 599 HB2 GLU 75 2HB GLU 75 -7.369 -0.513 5.025 600 HB3 GLU 75 3HB GLU 75 -5.698 -0.110 5.386 601 HG2 GLU 75 2HG GLU 75 -6.179 2.248 4.820 602 HG3 GLU 75 3HG GLU 75 -7.868 1.814 4.567 603 H MET 76 H MET 76 -7.115 2.135 2.409 604 HA MET 76 HA MET 76 -9.648 1.391 1.455 605 HB2 MET 76 2HB MET 76 -7.792 3.639 0.643 606 HB3 MET 76 3HB MET 76 -9.416 3.466 -0.009 607 HG2 MET 76 2HG MET 76 -8.792 3.744 2.924 608 HG3 MET 76 3HG MET 76 -9.237 5.082 1.867 609 HE1 MET 76 3HE MET 76 -11.583 5.316 0.680 610 HE2 MET 76 1HE MET 76 -12.879 4.126 0.814 611 HE3 MET 76 2HE MET 76 -11.389 3.717 -0.039 612 H ALA 77 H ALA 77 -6.521 1.588 -0.213 613 HA ALA 77 HA ALA 77 -7.353 0.772 -2.758 614 HB1 ALA 77 3HB ALA 77 -5.021 0.182 -3.144 615 HB2 ALA 77 1HB ALA 77 -4.703 0.252 -1.411 616 HB3 ALA 77 2HB ALA 77 -5.144 1.718 -2.286 617 H VAL 78 H VAL 78 -6.080 -1.197 -0.065 618 HA VAL 78 HA VAL 78 -6.137 -3.699 -1.258 619 HB VAL 78 HB VAL 78 -6.653 -2.994 1.644 620 HG11 VAL 78 1HG1 VAL 78 -7.513 -5.215 1.222 621 HG12 VAL 78 2HG1 VAL 78 -6.005 -5.341 2.124 622 HG13 VAL 78 3HG1 VAL 78 -6.028 -5.673 0.392 623 HG21 VAL 78 3HG2 VAL 78 -4.474 -2.254 0.827 624 HG22 VAL 78 1HG2 VAL 78 -4.133 -3.877 0.224 625 HG23 VAL 78 2HG2 VAL 78 -4.290 -3.595 1.957 626 H ALA 79 H ALA 79 -8.732 -2.155 0.652 627 HA ALA 79 HA ALA 79 -10.602 -4.220 0.529 628 HB1 ALA 79 3HB ALA 79 -11.146 -1.252 0.619 629 HB2 ALA 79 1HB ALA 79 -10.811 -2.284 2.009 630 HB3 ALA 79 2HB ALA 79 -12.277 -2.530 1.062 631 H LYS 80 H LYS 80 -10.085 -1.528 -1.742 632 HA LYS 80 HA LYS 80 -12.303 -2.250 -3.412 633 HB2 LYS 80 2HB LYS 80 -11.487 0.074 -3.234 634 HB3 LYS 80 3HB LYS 80 -9.979 -0.400 -4.007 635 HG2 LYS 80 2HG LYS 80 -11.113 -0.914 -6.058 636 HG3 LYS 80 3HG LYS 80 -12.688 -0.665 -5.306 637 HD2 LYS 80 2HD LYS 80 -12.324 1.306 -6.514 638 HD3 LYS 80 3HD LYS 80 -11.875 1.741 -4.865 639 HE2 LYS 80 2HE LYS 80 -9.931 0.917 -7.026 640 HE3 LYS 80 3HE LYS 80 -10.292 2.583 -6.583 641 HZ1 LYS 80 3HZ LYS 80 -9.440 2.146 -4.372 642 HZ2 LYS 80 1HZ LYS 80 -8.269 1.803 -5.540 643 HZ3 LYS 80 2HZ LYS 80 -9.103 0.542 -4.787 644 H VAL 81 H VAL 81 -8.818 -2.884 -3.539 645 HA VAL 81 HA VAL 81 -8.849 -3.978 -6.189 646 HB VAL 81 HB VAL 81 -6.759 -4.200 -4.002 647 HG11 VAL 81 1HG1 VAL 81 -6.569 -4.971 -6.922 648 HG12 VAL 81 2HG1 VAL 81 -6.506 -6.066 -5.541 649 HG13 VAL 81 3HG1 VAL 81 -5.211 -4.899 -5.798 650 HG21 VAL 81 3HG2 VAL 81 -7.159 -1.909 -4.814 651 HG22 VAL 81 1HG2 VAL 81 -6.856 -2.446 -6.467 652 HG23 VAL 81 2HG2 VAL 81 -5.560 -2.494 -5.272 653 H MET 82 H MET 82 -8.509 -5.516 -2.961 654 HA MET 82 HA MET 82 -8.741 -8.177 -3.900 655 HB2 MET 82 2HB MET 82 -9.360 -7.025 -1.168 656 HB3 MET 82 3HB MET 82 -9.248 -8.743 -1.527 657 HG2 MET 82 2HG MET 82 -7.016 -6.729 -1.763 658 HG3 MET 82 3HG MET 82 -7.213 -7.925 -0.483 659 HE1 MET 82 3HE MET 82 -8.263 -10.447 -2.163 660 HE2 MET 82 1HE MET 82 -7.030 -10.595 -0.910 661 HE3 MET 82 2HE MET 82 -6.754 -11.288 -2.510 662 H GLN 83 H GLN 83 -11.087 -5.754 -2.982 663 HA GLN 83 HA GLN 83 -13.260 -5.490 -3.555 664 HB2 GLN 83 2HB GLN 83 -13.019 -8.183 -4.916 665 HB3 GLN 83 3HB GLN 83 -14.389 -7.088 -5.058 666 HG2 GLN 83 2HG GLN 83 -12.907 -5.393 -6.056 667 HG3 GLN 83 3HG GLN 83 -11.565 -6.531 -5.957 668 HE21 GLN 83 1HE2 GLN 83 -11.239 -6.557 -8.164 669 HE22 GLN 83 2HE2 GLN 83 -12.343 -7.301 -9.266 670 H LYS 84 H LYS 84 -12.265 -7.090 -1.129 671 HA LYS 84 HA LYS 84 -14.948 -8.075 -0.368 672 HB2 LYS 84 2HB LYS 84 -12.247 -8.735 0.835 673 HB3 LYS 84 3HB LYS 84 -13.774 -9.164 1.593 674 HG2 LYS 84 2HG LYS 84 -13.070 -11.104 0.478 675 HG3 LYS 84 3HG LYS 84 -14.327 -10.416 -0.552 676 HD2 LYS 84 2HD LYS 84 -12.507 -9.352 -1.913 677 HD3 LYS 84 3HD LYS 84 -11.337 -10.254 -0.950 678 HE2 LYS 84 2HE LYS 84 -13.512 -11.425 -2.688 679 HE3 LYS 84 3HE LYS 84 -11.786 -11.395 -3.051 680 HZ1 LYS 84 3HZ LYS 84 -13.148 -12.902 -0.887 681 HZ2 LYS 84 1HZ LYS 84 -11.466 -12.740 -0.997 682 HZ3 LYS 84 2HZ LYS 84 -12.318 -13.530 -2.221 683 H ASP 85 H ASP 85 -15.713 -5.954 -0.037 684 HA ASP 85 HA ASP 85 -14.742 -4.676 2.443 685 HB2 ASP 85 2HB ASP 85 -14.218 -3.313 0.458 686 HB3 ASP 85 3HB ASP 85 -15.918 -3.315 -0.000 687 H SER 86 H SER 86 -17.605 -4.848 0.303 688 HA SER 86 HA SER 86 -19.317 -5.652 2.481 689 HB2 SER 86 2HB SER 86 -19.277 -3.219 2.868 690 HB3 SER 86 3HB SER 86 -19.793 -2.940 1.205 691 HG SER 86 HG SER 86 -21.779 -3.613 1.674 Start of MODEL 4 1 H1 MET 1 1H MET 1 4.828 -32.082 9.134 2 H2 MET 1 2H MET 1 3.682 -30.869 9.406 3 H3 MET 1 3H MET 1 3.746 -31.652 7.909 4 HA MET 1 HA MET 1 3.068 -33.722 8.885 5 HB2 MET 1 2HB MET 1 2.924 -32.141 11.469 6 HB3 MET 1 3HB MET 1 2.398 -33.806 11.258 7 HG2 MET 1 2HG MET 1 5.219 -32.785 10.993 8 HG3 MET 1 3HG MET 1 4.561 -33.720 12.338 9 HE1 MET 1 3HE MET 1 6.965 -36.290 10.633 10 HE2 MET 1 1HE MET 1 6.511 -35.502 12.144 11 HE3 MET 1 2HE MET 1 7.215 -34.555 10.832 12 H GLY 2 H GLY 2 0.859 -34.255 8.884 13 HA2 GLY 2 2HA GLY 2 -1.423 -33.939 8.753 14 HA3 GLY 2 3HA GLY 2 -1.204 -32.356 9.474 15 H HIS 3 H HIS 3 -0.057 -30.773 7.853 16 HA HIS 3 HA HIS 3 -1.840 -30.293 5.735 17 HB2 HIS 3 2HB HIS 3 0.928 -29.156 6.205 18 HB3 HIS 3 3HB HIS 3 -0.248 -28.511 5.065 19 HD1 HIS 3 HD1 HIS 3 -2.145 -27.070 6.009 20 HD2 HIS 3 HD2 HIS 3 0.317 -28.681 8.945 21 HE1 HIS 3 HE1 HIS 3 -2.770 -25.891 8.131 22 HE2 HIS 3 HE2 HIS 3 -1.184 -26.786 9.864 23 H HIS 4 H HIS 4 -1.820 -30.797 3.602 24 HA HIS 4 HA HIS 4 -0.211 -33.030 2.813 25 HB2 HIS 4 2HB HIS 4 -1.543 -32.905 0.697 26 HB3 HIS 4 3HB HIS 4 -2.518 -32.994 2.159 27 HD1 HIS 4 HD1 HIS 4 -3.997 -30.966 2.732 28 HD2 HIS 4 HD2 HIS 4 -1.698 -30.450 -0.698 29 HE1 HIS 4 HE1 HIS 4 -4.908 -28.918 1.605 30 HE2 HIS 4 HE2 HIS 4 -3.461 -28.583 -0.424 31 H HIS 5 H HIS 5 1.233 -33.229 1.136 32 HA HIS 5 HA HIS 5 3.091 -31.221 0.637 33 HB2 HIS 5 2HB HIS 5 3.620 -33.562 0.328 34 HB3 HIS 5 3HB HIS 5 2.423 -33.711 -0.951 35 HD1 HIS 5 HD1 HIS 5 5.910 -32.589 -0.287 36 HD2 HIS 5 HD2 HIS 5 3.234 -32.685 -3.466 37 HE1 HIS 5 HE1 HIS 5 7.279 -32.117 -2.336 38 HE2 HIS 5 HE2 HIS 5 5.674 -32.372 -4.255 39 H HIS 6 H HIS 6 2.325 -29.271 -0.152 40 HA HIS 6 HA HIS 6 0.699 -29.204 -2.560 41 HB2 HIS 6 2HB HIS 6 0.834 -26.722 -2.307 42 HB3 HIS 6 3HB HIS 6 0.184 -27.542 -0.895 43 HD1 HIS 6 HD1 HIS 6 0.973 -26.422 1.154 44 HD2 HIS 6 HD2 HIS 6 3.893 -26.406 -1.804 45 HE1 HIS 6 HE1 HIS 6 2.951 -25.252 2.165 46 HE2 HIS 6 HE2 HIS 6 4.654 -25.138 0.313 47 H HIS 7 H HIS 7 1.329 -28.363 -4.562 48 HA HIS 7 HA HIS 7 4.219 -28.467 -5.093 49 HB2 HIS 7 2HB HIS 7 2.719 -29.946 -6.403 50 HB3 HIS 7 3HB HIS 7 1.881 -28.531 -7.023 51 HD1 HIS 7 HD1 HIS 7 5.273 -30.212 -7.182 52 HD2 HIS 7 HD2 HIS 7 3.016 -27.412 -9.261 53 HE1 HIS 7 HE1 HIS 7 6.554 -29.745 -9.284 54 HE2 HIS 7 HE2 HIS 7 5.213 -28.000 -10.493 55 H HIS 8 H HIS 8 1.648 -26.221 -4.822 56 HA HIS 8 HA HIS 8 3.376 -24.080 -5.894 57 HB2 HIS 8 2HB HIS 8 1.608 -24.603 -7.546 58 HB3 HIS 8 3HB HIS 8 0.380 -24.301 -6.323 59 HD1 HIS 8 HD1 HIS 8 2.555 -22.606 -8.780 60 HD2 HIS 8 HD2 HIS 8 0.089 -21.529 -5.615 61 HE1 HIS 8 HE1 HIS 8 2.175 -20.140 -9.034 62 HE2 HIS 8 HE2 HIS 8 0.540 -19.549 -7.218 63 H SER 9 H SER 9 3.975 -23.056 -4.047 64 HA SER 9 HA SER 9 2.113 -22.662 -1.847 65 HB2 SER 9 2HB SER 9 4.977 -21.731 -2.211 66 HB3 SER 9 3HB SER 9 4.028 -21.509 -0.744 67 HG SER 9 HG SER 9 4.818 -23.972 -1.921 68 H HIS 10 H HIS 10 1.857 -20.466 -0.861 69 HA HIS 10 HA HIS 10 1.704 -18.343 -2.923 70 HB2 HIS 10 2HB HIS 10 -0.348 -17.525 -1.906 71 HB3 HIS 10 3HB HIS 10 -0.544 -19.226 -2.315 72 HD1 HIS 10 HD1 HIS 10 0.189 -17.047 0.713 73 HD2 HIS 10 HD2 HIS 10 -1.349 -20.797 -0.223 74 HE1 HIS 10 HE1 HIS 10 -0.657 -17.989 2.879 75 HE2 HIS 10 HE2 HIS 10 -1.454 -20.306 2.315 76 HA PRO 11 HA PRO 11 4.045 -15.617 -0.281 77 HB2 PRO 11 2HB PRO 11 1.937 -13.566 -0.790 78 HB3 PRO 11 3HB PRO 11 3.685 -13.472 -1.033 79 HG2 PRO 11 2HG PRO 11 2.042 -13.748 -3.110 80 HG3 PRO 11 3HG PRO 11 3.596 -14.603 -3.062 81 HD2 PRO 11 2HD PRO 11 0.835 -15.655 -2.556 82 HD3 PRO 11 3HD PRO 11 2.198 -16.424 -3.397 83 H ASN 12 H ASN 12 4.123 -15.282 1.874 84 HA ASN 12 HA ASN 12 1.646 -15.452 3.438 85 HB2 ASN 12 2HB ASN 12 3.155 -15.799 5.373 86 HB3 ASN 12 3HB ASN 12 3.429 -16.978 4.095 87 HD21 ASN 12 1HD2 ASN 12 5.193 -15.991 6.250 88 HD22 ASN 12 2HD2 ASN 12 6.620 -15.433 5.444 89 H GLU 13 H GLU 13 1.931 -14.108 5.634 90 HA GLU 13 HA GLU 13 1.516 -11.433 5.169 91 HB2 GLU 13 2HB GLU 13 0.996 -12.521 7.296 92 HB3 GLU 13 3HB GLU 13 2.711 -12.692 7.650 93 HG2 GLU 13 2HG GLU 13 2.877 -10.187 7.613 94 HG3 GLU 13 3HG GLU 13 1.119 -10.139 7.482 95 H GLU 14 H GLU 14 4.576 -12.857 6.304 96 HA GLU 14 HA GLU 14 6.048 -10.468 6.365 97 HB2 GLU 14 2HB GLU 14 7.007 -13.326 6.063 98 HB3 GLU 14 3HB GLU 14 8.030 -11.957 6.493 99 HG2 GLU 14 2HG GLU 14 6.819 -11.624 8.549 100 HG3 GLU 14 3HG GLU 14 5.645 -12.861 8.109 101 H ALA 15 H ALA 15 5.485 -12.748 3.719 102 HA ALA 15 HA ALA 15 7.474 -11.693 1.972 103 HB1 ALA 15 3HB ALA 15 6.377 -12.962 0.219 104 HB2 ALA 15 1HB ALA 15 4.967 -13.209 1.250 105 HB3 ALA 15 2HB ALA 15 6.515 -13.936 1.683 106 H ARG 16 H ARG 16 3.927 -11.180 2.136 107 HA ARG 16 HA ARG 16 3.902 -9.268 0.027 108 HB2 ARG 16 2HB ARG 16 1.580 -8.781 0.760 109 HB3 ARG 16 3HB ARG 16 1.895 -10.486 0.491 110 HG2 ARG 16 2HG ARG 16 2.197 -10.712 2.987 111 HG3 ARG 16 3HG ARG 16 1.586 -9.062 3.125 112 HD2 ARG 16 2HD ARG 16 -0.496 -9.743 2.005 113 HD3 ARG 16 3HD ARG 16 0.122 -11.389 1.859 114 HE ARG 16 HE ARG 16 -0.481 -10.068 4.429 115 HH11 ARG 16 1HH1 ARG 16 -0.324 -12.890 2.456 116 HH12 ARG 16 2HH1 ARG 16 -1.024 -13.909 3.662 117 HH21 ARG 16 1HH2 ARG 16 -1.386 -11.389 5.970 118 HH22 ARG 16 2HH2 ARG 16 -1.624 -13.066 5.624 119 H LEU 17 H LEU 17 4.161 -8.955 3.530 120 HA LEU 17 HA LEU 17 4.095 -6.172 3.782 121 HB2 LEU 17 2HB LEU 17 4.196 -7.469 5.767 122 HB3 LEU 17 3HB LEU 17 5.649 -8.302 5.244 123 HG LEU 17 HG LEU 17 6.893 -6.123 5.467 124 HD11 LEU 17 1HD1 LEU 17 4.969 -4.617 5.298 125 HD12 LEU 17 2HD1 LEU 17 5.919 -4.325 6.754 126 HD13 LEU 17 3HD1 LEU 17 4.389 -5.195 6.863 127 HD21 LEU 17 3HD2 LEU 17 7.098 -6.231 7.883 128 HD22 LEU 17 1HD2 LEU 17 7.000 -7.852 7.193 129 HD23 LEU 17 2HD2 LEU 17 5.591 -7.145 7.988 130 H ASP 18 H ASP 18 6.857 -8.294 3.073 131 HA ASP 18 HA ASP 18 8.853 -6.360 2.982 132 HB2 ASP 18 2HB ASP 18 9.180 -8.828 3.063 133 HB3 ASP 18 3HB ASP 18 8.723 -8.911 1.364 134 H ILE 19 H ILE 19 6.761 -7.533 0.364 135 HA ILE 19 HA ILE 19 7.908 -6.176 -1.796 136 HB ILE 19 HB ILE 19 4.952 -6.688 -1.387 137 HG12 ILE 19 2HG1 ILE 19 6.969 -8.546 -2.676 138 HG13 ILE 19 3HG1 ILE 19 6.437 -8.701 -1.003 139 HG21 ILE 19 1HG2 ILE 19 5.451 -5.233 -3.287 140 HG22 ILE 19 2HG2 ILE 19 4.861 -6.801 -3.833 141 HG23 ILE 19 3HG2 ILE 19 6.583 -6.430 -3.921 142 HD11 ILE 19 3HD1 ILE 19 4.130 -8.992 -1.788 143 HD12 ILE 19 1HD1 ILE 19 5.222 -10.230 -2.416 144 HD13 ILE 19 2HD1 ILE 19 4.705 -8.901 -3.454 145 H LEU 20 H LEU 20 5.370 -5.110 0.453 146 HA LEU 20 HA LEU 20 4.895 -2.541 -0.541 147 HB2 LEU 20 2HB LEU 20 4.845 -3.584 2.299 148 HB3 LEU 20 3HB LEU 20 4.229 -2.010 1.833 149 HG LEU 20 HG LEU 20 3.173 -4.537 0.577 150 HD11 LEU 20 1HD1 LEU 20 2.911 -4.789 2.988 151 HD12 LEU 20 2HD1 LEU 20 1.359 -4.531 2.197 152 HD13 LEU 20 3HD1 LEU 20 2.127 -3.209 3.078 153 HD21 LEU 20 3HD2 LEU 20 2.647 -2.468 -0.571 154 HD22 LEU 20 1HD2 LEU 20 2.032 -1.763 0.925 155 HD23 LEU 20 2HD2 LEU 20 1.196 -3.128 0.181 156 H LYS 21 H LYS 21 7.255 -3.617 1.883 157 HA LYS 21 HA LYS 21 8.508 -1.185 2.441 158 HB2 LYS 21 2HB LYS 21 9.703 -3.965 2.342 159 HB3 LYS 21 3HB LYS 21 10.446 -2.575 3.123 160 HG2 LYS 21 2HG LYS 21 8.905 -2.556 4.859 161 HG3 LYS 21 3HG LYS 21 7.704 -3.465 3.938 162 HD2 LYS 21 2HD LYS 21 8.743 -4.814 5.732 163 HD3 LYS 21 3HD LYS 21 9.032 -5.487 4.129 164 HE2 LYS 21 2HE LYS 21 11.253 -4.236 4.192 165 HE3 LYS 21 3HE LYS 21 10.950 -4.009 5.911 166 HZ1 LYS 21 3HZ LYS 21 12.315 -5.942 5.546 167 HZ2 LYS 21 1HZ LYS 21 11.170 -6.611 4.493 168 HZ3 LYS 21 2HZ LYS 21 10.809 -6.431 6.137 169 H ILE 22 H ILE 22 9.020 -3.441 -0.230 170 HA ILE 22 HA ILE 22 11.400 -2.248 -1.237 171 HB ILE 22 HB ILE 22 9.366 -4.020 -2.610 172 HG12 ILE 22 2HG1 ILE 22 12.087 -4.636 -1.419 173 HG13 ILE 22 3HG1 ILE 22 10.538 -5.045 -0.691 174 HG21 ILE 22 1HG2 ILE 22 10.584 -2.740 -4.289 175 HG22 ILE 22 2HG2 ILE 22 11.096 -4.426 -4.316 176 HG23 ILE 22 3HG2 ILE 22 12.120 -3.205 -3.558 177 HD11 ILE 22 3HD1 ILE 22 10.047 -6.525 -2.564 178 HD12 ILE 22 1HD1 ILE 22 11.552 -6.969 -1.760 179 HD13 ILE 22 2HD1 ILE 22 11.595 -6.111 -3.300 180 H HIS 23 H HIS 23 8.021 -2.033 -2.451 181 HA HIS 23 HA HIS 23 8.743 -0.202 -4.530 182 HB2 HIS 23 2HB HIS 23 6.045 -1.050 -3.458 183 HB3 HIS 23 3HB HIS 23 6.241 0.042 -4.827 184 HD1 HIS 23 HD1 HIS 23 6.897 -0.987 -7.077 185 HD2 HIS 23 HD2 HIS 23 6.803 -3.741 -3.965 186 HE1 HIS 23 HE1 HIS 23 7.059 -3.235 -8.168 187 HE2 HIS 23 HE2 HIS 23 7.228 -4.861 -6.258 188 H SER 24 H SER 24 7.595 0.235 -1.244 189 HA SER 24 HA SER 24 6.701 2.916 -1.487 190 HB2 SER 24 2HB SER 24 6.834 2.991 0.965 191 HB3 SER 24 3HB SER 24 6.083 1.492 0.422 192 HG SER 24 HG SER 24 7.653 0.419 1.302 193 H ARG 25 H ARG 25 9.875 1.582 -1.330 194 HA ARG 25 HA ARG 25 11.290 3.741 -0.217 195 HB2 ARG 25 2HB ARG 25 12.084 1.531 -2.100 196 HB3 ARG 25 3HB ARG 25 13.238 2.753 -1.589 197 HG2 ARG 25 2HG ARG 25 12.879 2.126 0.750 198 HG3 ARG 25 3HG ARG 25 11.718 0.899 0.241 199 HD2 ARG 25 2HD ARG 25 14.600 0.954 -0.656 200 HD3 ARG 25 3HD ARG 25 14.033 0.050 0.746 201 HE ARG 25 HE ARG 25 12.435 -0.910 -1.139 202 HH11 ARG 25 1HH1 ARG 25 15.820 -0.281 -1.333 203 HH12 ARG 25 2HH1 ARG 25 16.123 -1.644 -2.352 204 HH21 ARG 25 1HH2 ARG 25 12.858 -2.655 -2.445 205 HH22 ARG 25 2HH2 ARG 25 14.472 -2.980 -2.961 206 H LYS 26 H LYS 26 9.698 3.556 -3.242 207 HA LYS 26 HA LYS 26 11.329 5.686 -4.427 208 HB2 LYS 26 2HB LYS 26 9.051 4.029 -5.522 209 HB3 LYS 26 3HB LYS 26 9.780 5.366 -6.402 210 HG2 LYS 26 2HG LYS 26 11.947 4.218 -6.353 211 HG3 LYS 26 3HG LYS 26 11.209 2.873 -5.480 212 HD2 LYS 26 2HD LYS 26 11.425 2.393 -7.886 213 HD3 LYS 26 3HD LYS 26 9.738 2.422 -7.373 214 HE2 LYS 26 2HE LYS 26 10.062 3.565 -9.525 215 HE3 LYS 26 3HE LYS 26 9.477 4.668 -8.281 216 HZ1 LYS 26 3HZ LYS 26 11.711 5.510 -8.000 217 HZ2 LYS 26 1HZ LYS 26 11.251 5.644 -9.620 218 HZ3 LYS 26 2HZ LYS 26 12.308 4.417 -9.144 219 H MET 27 H MET 27 9.008 5.739 -2.184 220 HA MET 27 HA MET 27 8.091 8.402 -3.009 221 HB2 MET 27 2HB MET 27 6.217 6.181 -2.142 222 HB3 MET 27 3HB MET 27 5.753 7.873 -2.259 223 HG2 MET 27 2HG MET 27 6.310 7.799 -4.680 224 HG3 MET 27 3HG MET 27 6.614 6.071 -4.517 225 HE1 MET 27 3HE MET 27 4.338 5.228 -2.422 226 HE2 MET 27 1HE MET 27 4.723 4.290 -3.864 227 HE3 MET 27 2HE MET 27 3.050 4.733 -3.520 228 H ASN 28 H ASN 28 6.672 9.330 -1.081 229 HA ASN 28 HA ASN 28 8.154 8.854 1.418 230 HB2 ASN 28 2HB ASN 28 6.278 11.113 0.657 231 HB3 ASN 28 3HB ASN 28 7.144 10.983 2.185 232 HD21 ASN 28 1HD2 ASN 28 7.279 13.054 0.142 233 HD22 ASN 28 2HD2 ASN 28 8.930 13.132 -0.348 234 H LEU 29 H LEU 29 7.148 8.219 3.323 235 HA LEU 29 HA LEU 29 4.249 7.620 3.166 236 HB2 LEU 29 2HB LEU 29 6.387 6.071 4.645 237 HB3 LEU 29 3HB LEU 29 4.667 5.746 4.737 238 HG LEU 29 HG LEU 29 6.421 5.434 2.294 239 HD11 LEU 29 1HD1 LEU 29 6.757 3.689 3.945 240 HD12 LEU 29 2HD1 LEU 29 5.888 3.049 2.552 241 HD13 LEU 29 3HD1 LEU 29 5.018 3.412 4.041 242 HD21 LEU 29 3HD2 LEU 29 4.434 4.515 1.197 243 HD22 LEU 29 1HD2 LEU 29 4.193 6.203 1.646 244 HD23 LEU 29 2HD2 LEU 29 3.459 4.920 2.609 245 H THR 30 H THR 30 3.063 7.760 5.191 246 HA THR 30 HA THR 30 3.845 9.918 6.873 247 HB THR 30 HB THR 30 1.480 9.387 6.560 248 HG1 THR 30 HG1 THR 30 0.906 9.819 8.629 249 HG21 THR 30 3HG2 THR 30 0.438 7.475 7.667 250 HG22 THR 30 1HG2 THR 30 2.024 6.891 8.171 251 HG23 THR 30 2HG2 THR 30 1.608 6.948 6.458 252 H ARG 31 H ARG 31 4.916 9.956 8.801 253 HA ARG 31 HA ARG 31 6.773 7.898 9.231 254 HB2 ARG 31 2HB ARG 31 7.335 9.197 11.360 255 HB3 ARG 31 3HB ARG 31 7.504 10.027 9.824 256 HG2 ARG 31 2HG ARG 31 6.518 11.599 11.233 257 HG3 ARG 31 3HG ARG 31 5.180 10.986 10.263 258 HD2 ARG 31 2HD ARG 31 4.520 9.516 12.111 259 HD3 ARG 31 3HD ARG 31 5.864 10.123 13.080 260 HE ARG 31 HE ARG 31 3.431 11.584 12.354 261 HH11 ARG 31 1HH1 ARG 31 6.433 11.491 14.046 262 HH12 ARG 31 2HH1 ARG 31 6.077 12.903 14.976 263 HH21 ARG 31 1HH2 ARG 31 2.998 13.407 13.542 264 HH22 ARG 31 2HH2 ARG 31 4.166 13.987 14.675 265 H GLY 32 H GLY 32 3.574 7.969 10.339 266 HA2 GLY 32 2HA GLY 32 4.213 5.901 12.370 267 HA3 GLY 32 3HA GLY 32 2.800 6.941 12.442 268 H ILE 33 H ILE 33 3.919 5.407 9.477 269 HA ILE 33 HA ILE 33 1.315 4.280 9.028 270 HB ILE 33 HB ILE 33 2.630 5.231 7.186 271 HG12 ILE 33 2HG1 ILE 33 2.105 2.268 6.830 272 HG13 ILE 33 3HG1 ILE 33 0.897 3.542 6.706 273 HG21 ILE 33 1HG2 ILE 33 4.560 4.064 6.253 274 HG22 ILE 33 2HG2 ILE 33 4.480 2.874 7.553 275 HG23 ILE 33 3HG2 ILE 33 4.863 4.555 7.922 276 HD11 ILE 33 3HD1 ILE 33 1.634 2.765 4.519 277 HD12 ILE 33 1HD1 ILE 33 3.291 3.227 4.912 278 HD13 ILE 33 2HD1 ILE 33 2.040 4.462 4.776 279 H ASN 34 H ASN 34 0.600 2.268 9.442 280 HA ASN 34 HA ASN 34 2.519 0.211 10.285 281 HB2 ASN 34 2HB ASN 34 0.514 0.692 11.705 282 HB3 ASN 34 3HB ASN 34 -0.511 0.137 10.385 283 HD21 ASN 34 1HD2 ASN 34 -0.586 -1.000 12.902 284 HD22 ASN 34 2HD2 ASN 34 0.005 -2.623 12.801 285 H LEU 35 H LEU 35 3.389 -0.576 8.378 286 HA LEU 35 HA LEU 35 1.863 -1.175 6.056 287 HB2 LEU 35 2HB LEU 35 4.601 -2.123 6.907 288 HB3 LEU 35 3HB LEU 35 3.900 -2.438 5.328 289 HG LEU 35 HG LEU 35 4.520 0.308 6.442 290 HD11 LEU 35 1HD1 LEU 35 6.555 -0.934 5.944 291 HD12 LEU 35 2HD1 LEU 35 6.310 0.354 4.764 292 HD13 LEU 35 3HD1 LEU 35 5.946 -1.318 4.333 293 HD21 LEU 35 3HD2 LEU 35 2.616 0.339 4.908 294 HD22 LEU 35 1HD2 LEU 35 3.559 -0.535 3.701 295 HD23 LEU 35 2HD2 LEU 35 4.026 1.100 4.171 296 H ARG 36 H ARG 36 2.678 -3.055 8.910 297 HA ARG 36 HA ARG 36 2.098 -5.622 7.856 298 HB2 ARG 36 2HB ARG 36 3.348 -5.469 9.906 299 HB3 ARG 36 3HB ARG 36 2.043 -4.591 10.699 300 HG2 ARG 36 2HG ARG 36 0.622 -6.560 10.608 301 HG3 ARG 36 3HG ARG 36 1.871 -7.449 9.736 302 HD2 ARG 36 2HD ARG 36 3.317 -7.434 11.637 303 HD3 ARG 36 3HD ARG 36 2.281 -6.287 12.489 304 HE ARG 36 HE ARG 36 0.567 -8.197 12.320 305 HH11 ARG 36 1HH1 ARG 36 3.963 -8.682 12.703 306 HH12 ARG 36 2HH1 ARG 36 3.757 -10.122 13.633 307 HH21 ARG 36 1HH2 ARG 36 0.328 -10.050 13.502 308 HH22 ARG 36 2HH2 ARG 36 1.723 -10.909 14.044 309 H LYS 37 H LYS 37 0.071 -3.313 9.660 310 HA LYS 37 HA LYS 37 -2.278 -4.787 9.801 311 HB2 LYS 37 2HB LYS 37 -1.774 -2.567 10.890 312 HB3 LYS 37 3HB LYS 37 -2.098 -1.798 9.348 313 HG2 LYS 37 2HG LYS 37 -4.177 -3.534 10.613 314 HG3 LYS 37 3HG LYS 37 -3.933 -1.882 11.174 315 HD2 LYS 37 2HD LYS 37 -4.208 -1.154 8.762 316 HD3 LYS 37 3HD LYS 37 -4.736 -2.801 8.414 317 HE2 LYS 37 2HE LYS 37 -6.562 -2.588 9.996 318 HE3 LYS 37 3HE LYS 37 -6.006 -0.980 10.453 319 HZ1 LYS 37 3HZ LYS 37 -7.866 -0.898 8.913 320 HZ2 LYS 37 1HZ LYS 37 -6.975 -1.750 7.760 321 HZ3 LYS 37 2HZ LYS 37 -6.484 -0.202 8.233 322 H ILE 38 H ILE 38 -1.034 -2.794 7.148 323 HA ILE 38 HA ILE 38 -3.212 -3.100 5.372 324 HB ILE 38 HB ILE 38 -0.281 -2.783 4.680 325 HG12 ILE 38 2HG1 ILE 38 -0.988 -0.994 6.170 326 HG13 ILE 38 3HG1 ILE 38 -0.801 -0.356 4.540 327 HG21 ILE 38 1HG2 ILE 38 -1.579 -3.481 2.756 328 HG22 ILE 38 2HG2 ILE 38 -1.116 -1.787 2.582 329 HG23 ILE 38 3HG2 ILE 38 -2.762 -2.207 3.056 330 HD11 ILE 38 3HD1 ILE 38 -3.240 -0.481 4.242 331 HD12 ILE 38 1HD1 ILE 38 -2.767 0.563 5.582 332 HD13 ILE 38 2HD1 ILE 38 -3.394 -1.052 5.904 333 H ALA 39 H ALA 39 -0.168 -4.946 5.668 334 HA ALA 39 HA ALA 39 -0.629 -6.830 3.656 335 HB1 ALA 39 3HB ALA 39 0.917 -7.241 6.219 336 HB2 ALA 39 1HB ALA 39 1.547 -6.478 4.760 337 HB3 ALA 39 2HB ALA 39 1.081 -8.178 4.733 338 H GLU 40 H GLU 40 -1.678 -6.816 7.031 339 HA GLU 40 HA GLU 40 -2.685 -9.483 7.033 340 HB2 GLU 40 2HB GLU 40 -3.297 -7.162 8.875 341 HB3 GLU 40 3HB GLU 40 -3.823 -8.819 9.146 342 HG2 GLU 40 2HG GLU 40 -1.384 -9.479 9.105 343 HG3 GLU 40 3HG GLU 40 -1.006 -7.757 9.129 344 H LEU 41 H LEU 41 -3.898 -6.581 5.720 345 HA LEU 41 HA LEU 41 -6.679 -7.444 5.692 346 HB2 LEU 41 2HB LEU 41 -5.286 -5.114 4.365 347 HB3 LEU 41 3HB LEU 41 -7.013 -5.412 4.273 348 HG LEU 41 HG LEU 41 -5.483 -4.843 6.822 349 HD11 LEU 41 1HD1 LEU 41 -6.614 -2.682 6.793 350 HD12 LEU 41 2HD1 LEU 41 -7.332 -3.069 5.229 351 HD13 LEU 41 3HD1 LEU 41 -5.583 -2.882 5.377 352 HD21 LEU 41 3HD2 LEU 41 -7.698 -4.633 7.844 353 HD22 LEU 41 1HD2 LEU 41 -7.441 -6.255 7.201 354 HD23 LEU 41 2HD2 LEU 41 -8.451 -5.107 6.322 355 H MET 42 H MET 42 -3.949 -8.224 3.929 356 HA MET 42 HA MET 42 -5.491 -8.812 1.474 357 HB2 MET 42 2HB MET 42 -2.484 -8.559 1.749 358 HB3 MET 42 3HB MET 42 -3.392 -8.756 0.255 359 HG2 MET 42 2HG MET 42 -4.436 -6.572 0.595 360 HG3 MET 42 3HG MET 42 -3.538 -6.375 2.098 361 HE1 MET 42 3HE MET 42 -2.278 -7.911 -1.338 362 HE2 MET 42 1HE MET 42 -1.626 -6.462 -2.100 363 HE3 MET 42 2HE MET 42 -3.358 -6.593 -1.793 364 HA PRO 43 HA PRO 43 -4.691 -12.904 3.453 365 HB2 PRO 43 2HB PRO 43 -6.934 -14.133 2.528 366 HB3 PRO 43 3HB PRO 43 -6.925 -13.092 3.958 367 HG2 PRO 43 2HG PRO 43 -7.748 -12.441 1.149 368 HG3 PRO 43 3HG PRO 43 -8.545 -12.013 2.675 369 HD2 PRO 43 2HD PRO 43 -6.982 -10.270 1.301 370 HD3 PRO 43 3HD PRO 43 -7.112 -10.244 3.072 371 H GLY 44 H GLY 44 -2.968 -13.680 2.313 372 HA2 GLY 44 2HA GLY 44 -1.857 -15.021 0.817 373 HA3 GLY 44 3HA GLY 44 -3.426 -15.626 0.319 374 H ALA 45 H ALA 45 -2.606 -12.233 0.043 375 HA ALA 45 HA ALA 45 -3.186 -12.203 -2.752 376 HB1 ALA 45 3HB ALA 45 -3.675 -10.303 -1.293 377 HB2 ALA 45 1HB ALA 45 -2.643 -9.829 -2.643 378 HB3 ALA 45 2HB ALA 45 -1.949 -10.050 -1.036 379 H SER 46 H SER 46 -1.799 -11.673 -4.500 380 HA SER 46 HA SER 46 0.897 -12.753 -4.229 381 HB2 SER 46 2HB SER 46 0.945 -12.716 -6.681 382 HB3 SER 46 3HB SER 46 -0.536 -13.487 -6.110 383 HG SER 46 HG SER 46 -1.616 -12.019 -7.145 384 H GLY 47 H GLY 47 2.701 -11.649 -5.474 385 HA2 GLY 47 2HA GLY 47 3.235 -9.099 -4.473 386 HA3 GLY 47 3HA GLY 47 4.086 -9.845 -5.814 387 H ALA 48 H ALA 48 1.769 -10.026 -7.538 388 HA ALA 48 HA ALA 48 1.767 -7.511 -8.794 389 HB1 ALA 48 3HB ALA 48 -0.294 -9.710 -9.044 390 HB2 ALA 48 1HB ALA 48 1.220 -9.616 -9.945 391 HB3 ALA 48 2HB ALA 48 -0.027 -8.393 -10.188 392 H GLU 49 H GLU 49 -0.671 -9.033 -6.683 393 HA GLU 49 HA GLU 49 -2.539 -6.925 -6.676 394 HB2 GLU 49 2HB GLU 49 -1.970 -8.873 -4.424 395 HB3 GLU 49 3HB GLU 49 -3.454 -7.961 -4.666 396 HG2 GLU 49 2HG GLU 49 -2.393 -10.080 -6.529 397 HG3 GLU 49 3HG GLU 49 -3.655 -10.322 -5.324 398 H VAL 50 H VAL 50 0.197 -7.615 -4.514 399 HA VAL 50 HA VAL 50 -0.153 -5.464 -2.731 400 HB VAL 50 HB VAL 50 2.451 -6.786 -3.539 401 HG11 VAL 50 1HG1 VAL 50 1.746 -5.167 -1.084 402 HG12 VAL 50 2HG1 VAL 50 2.854 -4.695 -2.373 403 HG13 VAL 50 3HG1 VAL 50 3.254 -6.052 -1.321 404 HG21 VAL 50 3HG2 VAL 50 0.538 -7.468 -1.300 405 HG22 VAL 50 1HG2 VAL 50 2.108 -8.225 -1.582 406 HG23 VAL 50 2HG2 VAL 50 0.811 -8.417 -2.762 407 H LYS 51 H LYS 51 1.745 -5.685 -5.741 408 HA LYS 51 HA LYS 51 2.769 -3.049 -5.673 409 HB2 LYS 51 2HB LYS 51 3.681 -4.802 -7.142 410 HB3 LYS 51 3HB LYS 51 2.195 -4.797 -8.082 411 HG2 LYS 51 2HG LYS 51 2.617 -2.515 -8.799 412 HG3 LYS 51 3HG LYS 51 4.056 -2.440 -7.782 413 HD2 LYS 51 2HD LYS 51 4.691 -2.839 -10.092 414 HD3 LYS 51 3HD LYS 51 5.078 -4.247 -9.103 415 HE2 LYS 51 2HE LYS 51 3.018 -5.345 -9.893 416 HE3 LYS 51 3HE LYS 51 2.670 -3.941 -10.902 417 HZ1 LYS 51 3HZ LYS 51 4.727 -4.348 -12.109 418 HZ2 LYS 51 1HZ LYS 51 3.710 -5.695 -12.180 419 HZ3 LYS 51 2HZ LYS 51 5.047 -5.703 -11.148 420 H GLY 52 H GLY 52 -0.228 -4.402 -6.984 421 HA2 GLY 52 2HA GLY 52 -1.264 -2.098 -8.207 422 HA3 GLY 52 3HA GLY 52 -2.227 -3.399 -7.519 423 H VAL 53 H VAL 53 -1.694 -3.256 -4.860 424 HA VAL 53 HA VAL 53 -3.235 -1.145 -3.879 425 HB VAL 53 HB VAL 53 -1.159 -2.810 -2.428 426 HG11 VAL 53 1HG1 VAL 53 -1.598 -0.754 -1.181 427 HG12 VAL 53 2HG1 VAL 53 -2.292 -2.146 -0.351 428 HG13 VAL 53 3HG1 VAL 53 -3.334 -1.055 -1.268 429 HG21 VAL 53 3HG2 VAL 53 -2.959 -4.136 -3.395 430 HG22 VAL 53 1HG2 VAL 53 -4.163 -3.098 -2.630 431 HG23 VAL 53 2HG2 VAL 53 -3.103 -4.100 -1.638 432 H CYS 54 H CYS 54 0.312 -1.467 -3.962 433 HA CYS 54 HA CYS 54 1.003 0.954 -2.751 434 HB2 CYS 54 2HB CYS 54 2.672 -0.746 -3.173 435 HB3 CYS 54 3HB CYS 54 2.431 -0.617 -4.911 436 HG CYS 54 HG CYS 54 4.004 1.383 -5.354 437 H THR 55 H THR 55 0.484 0.257 -6.203 438 HA THR 55 HA THR 55 1.013 2.838 -7.186 439 HB THR 55 HB THR 55 -0.866 0.777 -8.377 440 HG1 THR 55 HG1 THR 55 1.763 1.157 -9.290 441 HG21 THR 55 3HG2 THR 55 -0.396 1.889 -10.512 442 HG22 THR 55 1HG2 THR 55 0.608 3.079 -9.681 443 HG23 THR 55 2HG2 THR 55 -1.127 3.016 -9.370 444 H GLU 56 H GLU 56 -2.089 1.313 -6.304 445 HA GLU 56 HA GLU 56 -3.700 3.555 -6.936 446 HB2 GLU 56 2HB GLU 56 -4.242 1.236 -5.071 447 HB3 GLU 56 3HB GLU 56 -5.450 2.405 -5.590 448 HG2 GLU 56 2HG GLU 56 -3.925 0.516 -7.381 449 HG3 GLU 56 3HG GLU 56 -5.605 0.346 -6.877 450 H ALA 57 H ALA 57 -2.098 2.568 -3.934 451 HA ALA 57 HA ALA 57 -3.174 4.441 -2.175 452 HB1 ALA 57 3HB ALA 57 -1.672 2.647 -1.459 453 HB2 ALA 57 1HB ALA 57 -1.094 4.216 -0.897 454 HB3 ALA 57 2HB ALA 57 -0.324 3.437 -2.280 455 H GLY 58 H GLY 58 -0.405 4.785 -4.397 456 HA2 GLY 58 2HA GLY 58 0.213 7.471 -3.875 457 HA3 GLY 58 3HA GLY 58 0.508 6.646 -5.396 458 H MET 59 H MET 59 -2.247 6.071 -5.995 459 HA MET 59 HA MET 59 -3.097 8.424 -7.290 460 HB2 MET 59 2HB MET 59 -4.752 6.008 -6.507 461 HB3 MET 59 3HB MET 59 -5.210 7.218 -7.693 462 HG2 MET 59 2HG MET 59 -2.647 5.773 -8.104 463 HG3 MET 59 3HG MET 59 -4.150 4.898 -8.383 464 HE1 MET 59 3HE MET 59 -3.168 8.729 -9.071 465 HE2 MET 59 1HE MET 59 -2.725 8.594 -10.772 466 HE3 MET 59 2HE MET 59 -1.772 7.760 -9.543 467 H TYR 60 H TYR 60 -4.269 6.878 -4.305 468 HA TYR 60 HA TYR 60 -6.232 8.781 -3.634 469 HB2 TYR 60 2HB TYR 60 -4.614 6.917 -1.883 470 HB3 TYR 60 3HB TYR 60 -5.949 7.895 -1.284 471 HD1 TYR 60 HD2 TYR 60 -8.240 7.569 -2.502 472 HD2 TYR 60 HD1 TYR 60 -5.045 4.760 -2.671 473 HE1 TYR 60 HE2 TYR 60 -9.831 5.801 -3.126 474 HE2 TYR 60 HE1 TYR 60 -6.629 2.988 -3.289 475 HH TYR 60 HH TYR 60 -9.059 2.521 -3.021 476 H ALA 61 H ALA 61 -2.769 8.693 -2.943 477 HA ALA 61 HA ALA 61 -2.763 10.933 -1.173 478 HB1 ALA 61 3HB ALA 61 -0.981 9.227 -1.217 479 HB2 ALA 61 1HB ALA 61 -0.349 10.867 -1.383 480 HB3 ALA 61 2HB ALA 61 -0.473 9.821 -2.798 481 H LEU 62 H LEU 62 -1.899 10.620 -4.625 482 HA LEU 62 HA LEU 62 -1.162 13.305 -5.011 483 HB2 LEU 62 2HB LEU 62 -2.124 11.253 -7.004 484 HB3 LEU 62 3HB LEU 62 -1.472 12.819 -7.450 485 HG LEU 62 HG LEU 62 0.023 10.614 -6.014 486 HD11 LEU 62 1HD1 LEU 62 0.323 11.719 -8.809 487 HD12 LEU 62 2HD1 LEU 62 -0.351 10.146 -8.381 488 HD13 LEU 62 3HD1 LEU 62 1.348 10.491 -8.064 489 HD21 LEU 62 3HD2 LEU 62 0.751 12.823 -5.242 490 HD22 LEU 62 1HD2 LEU 62 0.994 13.336 -6.912 491 HD23 LEU 62 2HD2 LEU 62 1.995 12.055 -6.227 492 H ARG 63 H ARG 63 -4.310 11.702 -5.563 493 HA ARG 63 HA ARG 63 -5.643 13.871 -6.732 494 HB2 ARG 63 2HB ARG 63 -7.710 12.792 -6.106 495 HB3 ARG 63 3HB ARG 63 -6.555 11.543 -6.557 496 HG2 ARG 63 2HG ARG 63 -6.159 10.978 -4.264 497 HG3 ARG 63 3HG ARG 63 -7.099 12.361 -3.708 498 HD2 ARG 63 2HD ARG 63 -9.098 11.303 -4.850 499 HD3 ARG 63 3HD ARG 63 -8.104 9.857 -5.058 500 HE ARG 63 HE ARG 63 -7.961 10.577 -2.379 501 HH11 ARG 63 1HH1 ARG 63 -10.354 9.449 -4.598 502 HH12 ARG 63 2HH1 ARG 63 -11.325 8.756 -3.348 503 HH21 ARG 63 1HH2 ARG 63 -9.206 9.692 -0.804 504 HH22 ARG 63 2HH2 ARG 63 -10.682 8.885 -1.217 505 H GLU 64 H GLU 64 -4.806 13.235 -3.405 506 HA GLU 64 HA GLU 64 -6.451 15.471 -2.431 507 HB2 GLU 64 2HB GLU 64 -5.056 13.202 -0.991 508 HB3 GLU 64 3HB GLU 64 -5.879 14.516 -0.164 509 HG2 GLU 64 2HG GLU 64 -7.992 13.872 -1.073 510 HG3 GLU 64 3HG GLU 64 -7.231 12.692 -2.141 511 H ARG 65 H ARG 65 -3.605 15.456 -3.780 512 HA ARG 65 HA ARG 65 -1.767 16.791 -3.736 513 HB2 ARG 65 2HB ARG 65 -3.666 18.301 -1.994 514 HB3 ARG 65 3HB ARG 65 -1.996 18.840 -2.066 515 HG2 ARG 65 2HG ARG 65 -3.787 18.495 -4.470 516 HG3 ARG 65 3HG ARG 65 -3.484 20.023 -3.641 517 HD2 ARG 65 2HD ARG 65 -1.038 19.686 -4.097 518 HD3 ARG 65 3HD ARG 65 -1.473 18.298 -5.094 519 HE ARG 65 HE ARG 65 -2.913 20.123 -6.289 520 HH11 ARG 65 1HH1 ARG 65 0.298 20.446 -5.054 521 HH12 ARG 65 2HH1 ARG 65 0.734 21.656 -6.210 522 HH21 ARG 65 1HH2 ARG 65 -2.328 21.686 -7.761 523 HH22 ARG 65 2HH2 ARG 65 -0.732 22.354 -7.712 524 H ARG 66 H ARG 66 -2.119 14.589 -1.602 525 HA ARG 66 HA ARG 66 -0.271 15.565 0.453 526 HB2 ARG 66 2HB ARG 66 -1.853 12.998 0.203 527 HB3 ARG 66 3HB ARG 66 -0.718 13.321 1.511 528 HG2 ARG 66 2HG ARG 66 -2.046 15.261 2.198 529 HG3 ARG 66 3HG ARG 66 -3.180 14.955 0.880 530 HD2 ARG 66 2HD ARG 66 -2.582 12.952 3.060 531 HD3 ARG 66 3HD ARG 66 -3.890 14.127 3.158 532 HE ARG 66 HE ARG 66 -4.999 13.013 1.396 533 HH11 ARG 66 1HH1 ARG 66 -2.101 11.391 2.334 534 HH12 ARG 66 2HH1 ARG 66 -2.603 9.885 1.651 535 HH21 ARG 66 1HH2 ARG 66 -5.618 11.077 0.548 536 HH22 ARG 66 2HH2 ARG 66 -4.568 9.710 0.659 537 H VAL 67 H VAL 67 1.844 15.413 0.078 538 HA VAL 67 HA VAL 67 2.959 13.772 -1.975 539 HB VAL 67 HB VAL 67 4.420 15.248 0.231 540 HG11 VAL 67 1HG1 VAL 67 6.331 15.216 -1.318 541 HG12 VAL 67 2HG1 VAL 67 5.394 14.237 -2.447 542 HG13 VAL 67 3HG1 VAL 67 5.829 13.587 -0.866 543 HG21 VAL 67 3HG2 VAL 67 4.684 17.064 -1.408 544 HG22 VAL 67 1HG2 VAL 67 2.988 16.771 -1.025 545 HG23 VAL 67 2HG2 VAL 67 3.664 16.182 -2.544 546 H HIS 68 H HIS 68 3.108 13.594 1.602 547 HA HIS 68 HA HIS 68 4.385 10.988 1.444 548 HB2 HIS 68 2HB HIS 68 4.361 10.994 3.902 549 HB3 HIS 68 3HB HIS 68 5.081 12.461 3.261 550 HD1 HIS 68 HD1 HIS 68 3.853 14.682 3.734 551 HD2 HIS 68 HD2 HIS 68 1.968 11.351 5.352 552 HE1 HIS 68 HE1 HIS 68 2.155 15.587 5.345 553 HE2 HIS 68 HE2 HIS 68 1.123 13.559 6.406 554 H VAL 69 H VAL 69 3.246 9.248 0.981 555 HA VAL 69 HA VAL 69 0.424 9.119 1.042 556 HB VAL 69 HB VAL 69 2.350 6.786 0.900 557 HG11 VAL 69 1HG1 VAL 69 -0.495 7.066 -0.089 558 HG12 VAL 69 2HG1 VAL 69 0.024 6.138 1.318 559 HG13 VAL 69 3HG1 VAL 69 0.538 5.653 -0.298 560 HG21 VAL 69 3HG2 VAL 69 1.257 8.500 -1.343 561 HG22 VAL 69 1HG2 VAL 69 2.197 7.022 -1.554 562 HG23 VAL 69 2HG2 VAL 69 2.934 8.437 -0.801 563 H THR 70 H THR 70 -0.993 8.216 2.467 564 HA THR 70 HA THR 70 0.084 7.606 5.145 565 HB THR 70 HB THR 70 -2.080 8.184 6.061 566 HG1 THR 70 HG1 THR 70 -2.861 8.044 3.373 567 HG21 THR 70 3HG2 THR 70 -1.200 10.236 4.015 568 HG22 THR 70 1HG2 THR 70 -0.558 10.054 5.649 569 HG23 THR 70 2HG2 THR 70 -2.230 10.557 5.409 570 H GLN 71 H GLN 71 -0.992 5.940 6.424 571 HA GLN 71 HA GLN 71 -1.113 3.456 5.163 572 HB2 GLN 71 2HB GLN 71 -0.704 3.710 7.554 573 HB3 GLN 71 3HB GLN 71 -2.329 4.341 7.791 574 HG2 GLN 71 2HG GLN 71 -3.231 2.157 7.031 575 HG3 GLN 71 3HG GLN 71 -1.578 1.546 6.960 576 HE21 GLN 71 1HE2 GLN 71 -3.870 0.736 8.606 577 HE22 GLN 71 2HE2 GLN 71 -3.314 0.830 10.241 578 H GLU 72 H GLU 72 -3.696 5.713 5.985 579 HA GLU 72 HA GLU 72 -5.955 4.204 5.497 580 HB2 GLU 72 2HB GLU 72 -5.490 7.123 4.849 581 HB3 GLU 72 3HB GLU 72 -7.069 6.351 4.911 582 HG2 GLU 72 2HG GLU 72 -6.696 5.830 7.290 583 HG3 GLU 72 3HG GLU 72 -5.148 6.672 7.211 584 H ASP 73 H ASP 73 -3.871 5.831 3.147 585 HA ASP 73 HA ASP 73 -5.515 5.460 0.878 586 HB2 ASP 73 2HB ASP 73 -2.499 5.714 0.998 587 HB3 ASP 73 3HB ASP 73 -3.504 5.970 -0.428 588 H PHE 74 H PHE 74 -2.877 3.502 2.232 589 HA PHE 74 HA PHE 74 -2.813 1.547 0.207 590 HB2 PHE 74 2HB PHE 74 -1.995 1.465 3.111 591 HB3 PHE 74 3HB PHE 74 -1.792 0.082 2.041 592 HD1 PHE 74 HD2 PHE 74 -0.175 0.132 0.228 593 HD2 PHE 74 HD1 PHE 74 -0.616 3.436 2.879 594 HE1 PHE 74 HE2 PHE 74 1.978 1.034 -0.547 595 HE2 PHE 74 HE1 PHE 74 1.532 4.343 2.102 596 HZ PHE 74 HZ PHE 74 2.836 3.144 0.388 597 H GLU 75 H GLU 75 -4.543 1.492 3.362 598 HA GLU 75 HA GLU 75 -5.743 -1.033 2.819 599 HB2 GLU 75 2HB GLU 75 -7.234 -0.493 4.773 600 HB3 GLU 75 3HB GLU 75 -5.509 -0.469 5.095 601 HG2 GLU 75 2HG GLU 75 -5.548 1.996 4.925 602 HG3 GLU 75 3HG GLU 75 -7.301 1.922 4.726 603 H MET 76 H MET 76 -6.844 2.286 2.238 604 HA MET 76 HA MET 76 -9.431 1.621 1.303 605 HB2 MET 76 2HB MET 76 -7.570 3.922 0.733 606 HB3 MET 76 3HB MET 76 -9.086 3.758 -0.146 607 HG2 MET 76 2HG MET 76 -8.831 3.944 2.854 608 HG3 MET 76 3HG MET 76 -9.270 5.273 1.781 609 HE1 MET 76 3HE MET 76 -11.098 3.641 -0.367 610 HE2 MET 76 1HE MET 76 -11.478 5.248 0.257 611 HE3 MET 76 2HE MET 76 -12.692 3.969 0.314 612 H ALA 77 H ALA 77 -6.265 1.600 -0.259 613 HA ALA 77 HA ALA 77 -7.182 0.879 -2.851 614 HB1 ALA 77 3HB ALA 77 -4.866 0.229 -3.286 615 HB2 ALA 77 1HB ALA 77 -4.505 0.340 -1.561 616 HB3 ALA 77 2HB ALA 77 -4.948 1.787 -2.465 617 H VAL 78 H VAL 78 -6.043 -1.057 -0.088 618 HA VAL 78 HA VAL 78 -6.260 -3.606 -1.200 619 HB VAL 78 HB VAL 78 -6.784 -2.771 1.667 620 HG11 VAL 78 1HG1 VAL 78 -7.761 -4.962 1.264 621 HG12 VAL 78 2HG1 VAL 78 -6.302 -5.124 2.243 622 HG13 VAL 78 3HG1 VAL 78 -6.260 -5.522 0.526 623 HG21 VAL 78 3HG2 VAL 78 -4.546 -2.185 0.890 624 HG22 VAL 78 1HG2 VAL 78 -4.291 -3.841 0.337 625 HG23 VAL 78 2HG2 VAL 78 -4.471 -3.503 2.059 626 H ALA 79 H ALA 79 -8.751 -1.694 0.486 627 HA ALA 79 HA ALA 79 -10.862 -3.535 0.278 628 HB1 ALA 79 3HB ALA 79 -11.051 -0.520 0.261 629 HB2 ALA 79 1HB ALA 79 -10.917 -1.526 1.705 630 HB3 ALA 79 2HB ALA 79 -12.341 -1.652 0.672 631 H LYS 80 H LYS 80 -9.591 -1.208 -2.017 632 HA LYS 80 HA LYS 80 -11.703 -1.464 -3.942 633 HB2 LYS 80 2HB LYS 80 -10.291 0.547 -3.757 634 HB3 LYS 80 3HB LYS 80 -8.883 -0.394 -4.222 635 HG2 LYS 80 2HG LYS 80 -9.881 -0.796 -6.428 636 HG3 LYS 80 3HG LYS 80 -11.289 0.162 -5.957 637 HD2 LYS 80 2HD LYS 80 -9.813 2.115 -5.616 638 HD3 LYS 80 3HD LYS 80 -8.435 1.148 -6.145 639 HE2 LYS 80 2HE LYS 80 -9.477 0.851 -8.337 640 HE3 LYS 80 3HE LYS 80 -10.866 1.805 -7.812 641 HZ1 LYS 80 3HZ LYS 80 -8.072 2.775 -8.028 642 HZ2 LYS 80 1HZ LYS 80 -9.388 3.695 -7.496 643 HZ3 LYS 80 2HZ LYS 80 -9.334 3.145 -9.090 644 H VAL 81 H VAL 81 -8.577 -3.022 -3.442 645 HA VAL 81 HA VAL 81 -8.549 -4.389 -5.978 646 HB VAL 81 HB VAL 81 -6.861 -4.825 -3.497 647 HG11 VAL 81 1HG1 VAL 81 -6.453 -5.888 -6.302 648 HG12 VAL 81 2HG1 VAL 81 -6.910 -6.841 -4.890 649 HG13 VAL 81 3HG1 VAL 81 -5.325 -6.069 -4.954 650 HG21 VAL 81 3HG2 VAL 81 -6.590 -2.601 -4.503 651 HG22 VAL 81 1HG2 VAL 81 -6.236 -3.345 -6.061 652 HG23 VAL 81 2HG2 VAL 81 -5.136 -3.578 -4.702 653 H MET 82 H MET 82 -9.182 -5.386 -2.609 654 HA MET 82 HA MET 82 -9.813 -8.104 -3.401 655 HB2 MET 82 2HB MET 82 -10.057 -6.716 -0.719 656 HB3 MET 82 3HB MET 82 -10.297 -8.436 -0.989 657 HG2 MET 82 2HG MET 82 -7.730 -6.918 -1.414 658 HG3 MET 82 3HG MET 82 -8.097 -7.981 -0.058 659 HE1 MET 82 3HE MET 82 -8.369 -10.635 -0.282 660 HE2 MET 82 1HE MET 82 -8.318 -11.486 -1.826 661 HE3 MET 82 2HE MET 82 -9.642 -10.374 -1.475 662 H GLN 83 H GLN 83 -11.578 -5.186 -2.546 663 HA GLN 83 HA GLN 83 -13.775 -4.620 -2.568 664 HB2 GLN 83 2HB GLN 83 -13.842 -6.796 -4.670 665 HB3 GLN 83 3HB GLN 83 -15.137 -5.635 -4.395 666 HG2 GLN 83 2HG GLN 83 -13.642 -3.800 -4.951 667 HG3 GLN 83 3HG GLN 83 -12.312 -4.932 -5.175 668 HE21 GLN 83 1HE2 GLN 83 -12.286 -6.232 -7.015 669 HE22 GLN 83 2HE2 GLN 83 -13.279 -5.896 -8.384 670 H LYS 84 H LYS 84 -13.012 -6.553 -0.575 671 HA LYS 84 HA LYS 84 -14.981 -8.583 -0.289 672 HB2 LYS 84 2HB LYS 84 -12.738 -8.558 0.835 673 HB3 LYS 84 3HB LYS 84 -13.321 -7.275 1.879 674 HG2 LYS 84 2HG LYS 84 -13.459 -9.275 3.128 675 HG3 LYS 84 3HG LYS 84 -15.111 -8.866 2.672 676 HD2 LYS 84 2HD LYS 84 -13.598 -10.685 0.858 677 HD3 LYS 84 3HD LYS 84 -14.105 -11.334 2.415 678 HE2 LYS 84 2HE LYS 84 -15.987 -9.982 0.486 679 HE3 LYS 84 3HE LYS 84 -15.705 -11.720 0.517 680 HZ1 LYS 84 3HZ LYS 84 -17.666 -11.101 1.787 681 HZ2 LYS 84 1HZ LYS 84 -16.732 -10.112 2.791 682 HZ3 LYS 84 2HZ LYS 84 -16.491 -11.785 2.789 683 H ASP 85 H ASP 85 -17.038 -7.752 -0.502 684 HA ASP 85 HA ASP 85 -19.018 -6.803 0.086 685 HB2 ASP 85 2HB ASP 85 -17.727 -6.382 2.796 686 HB3 ASP 85 3HB ASP 85 -19.451 -6.304 2.444 687 H SER 86 H SER 86 -16.747 -5.145 -0.933 688 HA SER 86 HA SER 86 -16.969 -2.533 0.207 689 HB2 SER 86 2HB SER 86 -15.915 -3.404 -2.498 690 HB3 SER 86 3HB SER 86 -15.762 -1.775 -1.837 691 HG SER 86 HG SER 86 -13.895 -3.061 -1.455 Start of MODEL 5 1 H1 MET 1 1H MET 1 18.100 -28.643 -4.178 2 H2 MET 1 2H MET 1 18.807 -27.752 -2.926 3 H3 MET 1 3H MET 1 18.329 -26.973 -4.345 4 HA MET 1 HA MET 1 16.490 -28.342 -2.471 5 HB2 MET 1 2HB MET 1 15.776 -26.080 -1.779 6 HB3 MET 1 3HB MET 1 17.461 -26.392 -1.386 7 HG2 MET 1 2HG MET 1 16.458 -24.777 -3.723 8 HG3 MET 1 3HG MET 1 17.149 -24.132 -2.235 9 HE1 MET 1 3HE MET 1 18.167 -23.314 -5.123 10 HE2 MET 1 1HE MET 1 19.918 -23.382 -4.922 11 HE3 MET 1 2HE MET 1 18.911 -22.690 -3.650 12 H GLY 2 H GLY 2 14.207 -27.590 -2.811 13 HA2 GLY 2 2HA GLY 2 13.404 -26.300 -5.212 14 HA3 GLY 2 3HA GLY 2 13.323 -28.041 -5.423 15 H HIS 3 H HIS 3 11.054 -26.547 -5.681 16 HA HIS 3 HA HIS 3 9.442 -27.550 -3.445 17 HB2 HIS 3 2HB HIS 3 9.226 -24.728 -4.532 18 HB3 HIS 3 3HB HIS 3 8.084 -25.466 -3.415 19 HD1 HIS 3 HD1 HIS 3 11.500 -23.968 -3.592 20 HD2 HIS 3 HD2 HIS 3 8.968 -25.642 -0.749 21 HE1 HIS 3 HE1 HIS 3 12.508 -23.392 -1.365 22 HE2 HIS 3 HE2 HIS 3 11.047 -24.534 0.331 23 H HIS 4 H HIS 4 7.776 -28.699 -4.195 24 HA HIS 4 HA HIS 4 6.541 -27.961 -6.754 25 HB2 HIS 4 2HB HIS 4 6.351 -30.417 -7.328 26 HB3 HIS 4 3HB HIS 4 7.970 -29.740 -7.432 27 HD1 HIS 4 HD1 HIS 4 5.884 -32.097 -5.370 28 HD2 HIS 4 HD2 HIS 4 9.844 -30.886 -5.725 29 HE1 HIS 4 HE1 HIS 4 7.213 -33.726 -4.002 30 HE2 HIS 4 HE2 HIS 4 9.608 -33.054 -4.334 31 H HIS 5 H HIS 5 4.549 -27.397 -6.214 32 HA HIS 5 HA HIS 5 3.089 -28.984 -4.184 33 HB2 HIS 5 2HB HIS 5 2.686 -26.101 -5.032 34 HB3 HIS 5 3HB HIS 5 1.691 -26.955 -3.859 35 HD1 HIS 5 HD1 HIS 5 2.683 -27.332 -1.512 36 HD2 HIS 5 HD2 HIS 5 5.199 -25.283 -4.105 37 HE1 HIS 5 HE1 HIS 5 4.500 -26.376 -0.073 38 HE2 HIS 5 HE2 HIS 5 5.870 -24.959 -1.634 39 H HIS 6 H HIS 6 1.323 -30.088 -4.817 40 HA HIS 6 HA HIS 6 0.238 -29.779 -7.481 41 HB2 HIS 6 2HB HIS 6 0.365 -31.998 -6.384 42 HB3 HIS 6 3HB HIS 6 -0.768 -31.449 -5.156 43 HD1 HIS 6 HD1 HIS 6 -0.592 -32.354 -8.803 44 HD2 HIS 6 HD2 HIS 6 -3.446 -31.539 -5.898 45 HE1 HIS 6 HE1 HIS 6 -2.793 -32.967 -9.835 46 HE2 HIS 6 HE2 HIS 6 -4.510 -32.276 -8.134 47 H HIS 7 H HIS 7 -0.343 -28.466 -4.372 48 HA HIS 7 HA HIS 7 -3.022 -27.482 -5.031 49 HB2 HIS 7 2HB HIS 7 -1.311 -27.160 -2.548 50 HB3 HIS 7 3HB HIS 7 -2.931 -26.496 -2.733 51 HD1 HIS 7 HD1 HIS 7 -4.870 -28.366 -3.123 52 HD2 HIS 7 HD2 HIS 7 -1.253 -29.720 -1.586 53 HE1 HIS 7 HE1 HIS 7 -5.364 -30.606 -2.107 54 HE2 HIS 7 HE2 HIS 7 -3.162 -31.429 -1.225 55 H HIS 8 H HIS 8 -3.289 -25.025 -4.201 56 HA HIS 8 HA HIS 8 -1.441 -23.465 -5.840 57 HB2 HIS 8 2HB HIS 8 -3.029 -21.603 -5.550 58 HB3 HIS 8 3HB HIS 8 -3.808 -23.044 -6.185 59 HD1 HIS 8 HD1 HIS 8 -3.466 -21.148 -2.911 60 HD2 HIS 8 HD2 HIS 8 -6.001 -23.860 -4.770 61 HE1 HIS 8 HE1 HIS 8 -5.471 -21.320 -1.421 62 HE2 HIS 8 HE2 HIS 8 -7.062 -22.818 -2.653 63 H SER 9 H SER 9 0.275 -22.483 -5.010 64 HA SER 9 HA SER 9 0.555 -22.071 -2.142 65 HB2 SER 9 2HB SER 9 2.454 -21.394 -4.410 66 HB3 SER 9 3HB SER 9 2.839 -21.310 -2.694 67 HG SER 9 HG SER 9 3.474 -23.277 -3.892 68 H HIS 10 H HIS 10 1.153 -19.986 -1.205 69 HA HIS 10 HA HIS 10 0.479 -17.615 -2.780 70 HB2 HIS 10 2HB HIS 10 -1.133 -16.754 -1.203 71 HB3 HIS 10 3HB HIS 10 -1.651 -18.360 -1.696 72 HD1 HIS 10 HD1 HIS 10 -1.883 -20.119 0.132 73 HD2 HIS 10 HD2 HIS 10 -0.212 -16.565 1.487 74 HE1 HIS 10 HE1 HIS 10 -1.836 -20.310 2.632 75 HE2 HIS 10 HE2 HIS 10 -0.962 -18.090 3.432 76 HA PRO 11 HA PRO 11 3.909 -15.868 -0.563 77 HB2 PRO 11 2HB PRO 11 3.123 -13.218 -0.501 78 HB3 PRO 11 3HB PRO 11 3.886 -14.004 -1.886 79 HG2 PRO 11 2HG PRO 11 0.986 -13.463 -1.372 80 HG3 PRO 11 3HG PRO 11 1.904 -13.304 -2.882 81 HD2 PRO 11 2HD PRO 11 0.296 -15.412 -2.422 82 HD3 PRO 11 3HD PRO 11 1.821 -15.589 -3.315 83 H ASN 12 H ASN 12 4.386 -15.775 1.547 84 HA ASN 12 HA ASN 12 2.375 -15.861 3.554 85 HB2 ASN 12 2HB ASN 12 4.566 -17.010 3.730 86 HB3 ASN 12 3HB ASN 12 5.367 -15.448 3.847 87 HD21 ASN 12 1HD2 ASN 12 6.225 -15.963 5.867 88 HD22 ASN 12 2HD2 ASN 12 5.248 -16.014 7.291 89 H GLU 13 H GLU 13 2.347 -14.378 5.492 90 HA GLU 13 HA GLU 13 1.679 -11.770 4.938 91 HB2 GLU 13 2HB GLU 13 1.193 -12.895 7.069 92 HB3 GLU 13 3HB GLU 13 2.894 -12.845 7.498 93 HG2 GLU 13 2HG GLU 13 2.787 -10.373 7.507 94 HG3 GLU 13 3HG GLU 13 1.059 -10.477 7.169 95 H GLU 14 H GLU 14 4.799 -12.751 6.401 96 HA GLU 14 HA GLU 14 6.057 -10.250 6.159 97 HB2 GLU 14 2HB GLU 14 7.219 -13.035 6.363 98 HB3 GLU 14 3HB GLU 14 8.186 -11.569 6.453 99 HG2 GLU 14 2HG GLU 14 5.926 -12.238 8.335 100 HG3 GLU 14 3HG GLU 14 7.629 -12.560 8.662 101 H ALA 15 H ALA 15 5.645 -12.829 3.840 102 HA ALA 15 HA ALA 15 7.738 -12.134 2.058 103 HB1 ALA 15 3HB ALA 15 6.666 -14.321 1.984 104 HB2 ALA 15 1HB ALA 15 6.552 -13.520 0.417 105 HB3 ALA 15 2HB ALA 15 5.147 -13.577 1.483 106 H ARG 16 H ARG 16 4.220 -11.372 1.924 107 HA ARG 16 HA ARG 16 4.523 -9.547 -0.246 108 HB2 ARG 16 2HB ARG 16 2.233 -8.784 0.288 109 HB3 ARG 16 3HB ARG 16 2.354 -10.532 0.155 110 HG2 ARG 16 2HG ARG 16 2.269 -10.779 2.544 111 HG3 ARG 16 3HG ARG 16 2.328 -9.029 2.767 112 HD2 ARG 16 2HD ARG 16 0.039 -10.063 2.987 113 HD3 ARG 16 3HD ARG 16 0.161 -8.745 1.823 114 HE ARG 16 HE ARG 16 -0.463 -10.211 0.199 115 HH11 ARG 16 1HH1 ARG 16 0.773 -12.058 2.831 116 HH12 ARG 16 2HH1 ARG 16 0.397 -13.568 2.083 117 HH21 ARG 16 1HH2 ARG 16 -0.967 -12.161 -0.728 118 HH22 ARG 16 2HH2 ARG 16 -0.592 -13.626 0.116 119 H LEU 17 H LEU 17 4.651 -9.203 3.248 120 HA LEU 17 HA LEU 17 4.676 -6.410 3.437 121 HB2 LEU 17 2HB LEU 17 4.511 -7.874 5.382 122 HB3 LEU 17 3HB LEU 17 6.142 -8.458 5.106 123 HG LEU 17 HG LEU 17 7.023 -6.192 5.569 124 HD11 LEU 17 1HD1 LEU 17 4.153 -5.518 6.210 125 HD12 LEU 17 2HD1 LEU 17 5.108 -4.870 4.875 126 HD13 LEU 17 3HD1 LEU 17 5.550 -4.492 6.540 127 HD21 LEU 17 3HD2 LEU 17 6.894 -7.817 7.375 128 HD22 LEU 17 1HD2 LEU 17 5.242 -7.312 7.732 129 HD23 LEU 17 2HD2 LEU 17 6.581 -6.189 7.979 130 H ASP 18 H ASP 18 7.329 -8.696 2.804 131 HA ASP 18 HA ASP 18 9.466 -6.892 2.760 132 HB2 ASP 18 2HB ASP 18 9.676 -9.373 2.681 133 HB3 ASP 18 3HB ASP 18 9.096 -9.348 1.017 134 H ILE 19 H ILE 19 7.260 -7.872 0.159 135 HA ILE 19 HA ILE 19 8.265 -6.275 -1.918 136 HB ILE 19 HB ILE 19 5.350 -6.941 -1.422 137 HG12 ILE 19 2HG1 ILE 19 7.389 -8.576 -2.964 138 HG13 ILE 19 3HG1 ILE 19 6.876 -8.940 -1.319 139 HG21 ILE 19 1HG2 ILE 19 5.704 -5.280 -3.177 140 HG22 ILE 19 2HG2 ILE 19 5.149 -6.807 -3.863 141 HG23 ILE 19 3HG2 ILE 19 6.850 -6.354 -3.983 142 HD11 ILE 19 3HD1 ILE 19 4.583 -9.245 -2.110 143 HD12 ILE 19 1HD1 ILE 19 5.714 -10.332 -2.917 144 HD13 ILE 19 2HD1 ILE 19 5.113 -8.904 -3.759 145 H LEU 20 H LEU 20 5.689 -5.583 0.443 146 HA LEU 20 HA LEU 20 5.079 -2.965 -0.274 147 HB2 LEU 20 2HB LEU 20 5.077 -4.284 2.447 148 HB3 LEU 20 3HB LEU 20 4.365 -2.713 2.128 149 HG LEU 20 HG LEU 20 3.483 -5.214 0.676 150 HD11 LEU 20 1HD1 LEU 20 3.115 -5.578 3.050 151 HD12 LEU 20 2HD1 LEU 20 1.584 -5.308 2.219 152 HD13 LEU 20 3HD1 LEU 20 2.304 -4.017 3.185 153 HD21 LEU 20 3HD2 LEU 20 2.931 -3.082 -0.400 154 HD22 LEU 20 1HD2 LEU 20 2.154 -2.530 1.085 155 HD23 LEU 20 2HD2 LEU 20 1.484 -3.896 0.193 156 H LYS 21 H LYS 21 7.659 -4.160 1.861 157 HA LYS 21 HA LYS 21 8.691 -1.669 2.661 158 HB2 LYS 21 2HB LYS 21 10.099 -4.321 2.273 159 HB3 LYS 21 3HB LYS 21 10.836 -2.919 3.039 160 HG2 LYS 21 2HG LYS 21 9.149 -2.978 4.807 161 HG3 LYS 21 3HG LYS 21 8.374 -4.360 4.029 162 HD2 LYS 21 2HD LYS 21 10.413 -5.687 4.349 163 HD3 LYS 21 3HD LYS 21 11.197 -4.306 5.119 164 HE2 LYS 21 2HE LYS 21 8.708 -5.687 6.140 165 HE3 LYS 21 3HE LYS 21 10.341 -5.960 6.746 166 HZ1 LYS 21 3HZ LYS 21 8.910 -3.358 6.815 167 HZ2 LYS 21 1HZ LYS 21 10.446 -3.667 7.449 168 HZ3 LYS 21 2HZ LYS 21 9.090 -4.407 8.129 169 H ILE 22 H ILE 22 9.499 -3.709 -0.148 170 HA ILE 22 HA ILE 22 11.536 -2.164 -1.255 171 HB ILE 22 HB ILE 22 9.428 -3.772 -2.722 172 HG12 ILE 22 2HG1 ILE 22 12.223 -4.529 -1.813 173 HG13 ILE 22 3HG1 ILE 22 10.724 -5.077 -1.071 174 HG21 ILE 22 1HG2 ILE 22 12.110 -2.770 -3.692 175 HG22 ILE 22 2HG2 ILE 22 10.526 -2.227 -4.248 176 HG23 ILE 22 3HG2 ILE 22 11.055 -3.878 -4.571 177 HD11 ILE 22 3HD1 ILE 22 11.681 -6.785 -2.502 178 HD12 ILE 22 1HD1 ILE 22 11.626 -5.685 -3.879 179 HD13 ILE 22 2HD1 ILE 22 10.127 -6.240 -3.131 180 H HIS 23 H HIS 23 8.020 -1.913 -1.846 181 HA HIS 23 HA HIS 23 8.194 0.302 -3.620 182 HB2 HIS 23 2HB HIS 23 5.900 -0.746 -1.948 183 HB3 HIS 23 3HB HIS 23 5.734 0.570 -3.104 184 HD1 HIS 23 HD1 HIS 23 5.921 -0.050 -5.635 185 HD2 HIS 23 HD2 HIS 23 5.982 -3.299 -3.048 186 HE1 HIS 23 HE1 HIS 23 5.516 -2.062 -7.075 187 HE2 HIS 23 HE2 HIS 23 5.812 -4.021 -5.526 188 H SER 24 H SER 24 7.553 0.092 -0.124 189 HA SER 24 HA SER 24 6.911 2.781 0.328 190 HB2 SER 24 2HB SER 24 7.283 2.337 2.682 191 HB3 SER 24 3HB SER 24 6.517 0.927 1.950 192 HG SER 24 HG SER 24 8.722 0.079 1.753 193 H ARG 25 H ARG 25 10.043 1.260 -0.021 194 HA ARG 25 HA ARG 25 11.581 3.367 1.130 195 HB2 ARG 25 2HB ARG 25 12.336 1.191 -0.833 196 HB3 ARG 25 3HB ARG 25 13.494 2.302 -0.111 197 HG2 ARG 25 2HG ARG 25 12.972 1.462 2.104 198 HG3 ARG 25 3HG ARG 25 11.727 0.407 1.437 199 HD2 ARG 25 2HD ARG 25 13.445 -0.801 0.159 200 HD3 ARG 25 3HD ARG 25 14.687 0.253 0.838 201 HE ARG 25 HE ARG 25 13.393 -0.838 3.000 202 HH11 ARG 25 1HH1 ARG 25 15.158 -2.059 0.299 203 HH12 ARG 25 2HH1 ARG 25 15.667 -3.482 1.142 204 HH21 ARG 25 1HH2 ARG 25 14.077 -2.651 4.070 205 HH22 ARG 25 2HH2 ARG 25 15.063 -3.812 3.253 206 H LYS 26 H LYS 26 10.219 2.854 -2.048 207 HA LYS 26 HA LYS 26 11.729 5.108 -3.169 208 HB2 LYS 26 2HB LYS 26 9.743 3.268 -4.527 209 HB3 LYS 26 3HB LYS 26 10.790 4.439 -5.320 210 HG2 LYS 26 2HG LYS 26 12.760 3.161 -4.498 211 HG3 LYS 26 3HG LYS 26 11.653 1.950 -3.848 212 HD2 LYS 26 2HD LYS 26 12.454 1.186 -5.986 213 HD3 LYS 26 3HD LYS 26 10.753 1.622 -6.157 214 HE2 LYS 26 2HE LYS 26 11.957 2.461 -8.061 215 HE3 LYS 26 3HE LYS 26 11.471 3.831 -7.064 216 HZ1 LYS 26 3HZ LYS 26 13.744 3.783 -6.096 217 HZ2 LYS 26 1HZ LYS 26 13.715 4.148 -7.747 218 HZ3 LYS 26 2HZ LYS 26 14.166 2.606 -7.229 219 H MET 27 H MET 27 8.611 4.375 -1.895 220 HA MET 27 HA MET 27 7.318 6.683 -3.147 221 HB2 MET 27 2HB MET 27 6.259 4.546 -1.279 222 HB3 MET 27 3HB MET 27 5.286 5.846 -1.955 223 HG2 MET 27 2HG MET 27 5.586 5.010 -4.175 224 HG3 MET 27 3HG MET 27 6.767 3.825 -3.619 225 HE1 MET 27 3HE MET 27 2.983 4.952 -3.296 226 HE2 MET 27 1HE MET 27 3.498 4.714 -1.624 227 HE3 MET 27 2HE MET 27 2.324 3.617 -2.354 228 H ASN 28 H ASN 28 6.783 8.559 -2.106 229 HA ASN 28 HA ASN 28 7.912 9.177 0.454 230 HB2 ASN 28 2HB ASN 28 7.552 10.829 -1.423 231 HB3 ASN 28 3HB ASN 28 5.826 10.749 -1.093 232 HD21 ASN 28 1HD2 ASN 28 7.665 13.010 -0.941 233 HD22 ASN 28 2HD2 ASN 28 7.538 13.612 0.672 234 H LEU 29 H LEU 29 6.997 8.890 2.446 235 HA LEU 29 HA LEU 29 4.133 8.157 2.557 236 HB2 LEU 29 2HB LEU 29 6.396 6.827 4.046 237 HB3 LEU 29 3HB LEU 29 4.694 6.480 4.283 238 HG LEU 29 HG LEU 29 6.310 5.941 1.786 239 HD11 LEU 29 1HD1 LEU 29 6.743 4.387 3.615 240 HD12 LEU 29 2HD1 LEU 29 5.871 3.598 2.302 241 HD13 LEU 29 3HD1 LEU 29 5.016 4.071 3.771 242 HD21 LEU 29 3HD2 LEU 29 4.280 4.879 0.905 243 HD22 LEU 29 1HD2 LEU 29 4.048 6.605 1.174 244 HD23 LEU 29 2HD2 LEU 29 3.377 5.439 2.314 245 H THR 30 H THR 30 3.352 8.040 4.901 246 HA THR 30 HA THR 30 3.792 10.563 6.200 247 HB THR 30 HB THR 30 1.569 9.533 6.227 248 HG1 THR 30 HG1 THR 30 1.143 10.183 8.263 249 HG21 THR 30 3HG2 THR 30 2.810 7.399 7.981 250 HG22 THR 30 1HG2 THR 30 2.242 7.170 6.325 251 HG23 THR 30 2HG2 THR 30 1.094 7.562 7.606 252 H ARG 31 H ARG 31 3.969 10.435 8.757 253 HA ARG 31 HA ARG 31 6.588 9.273 9.280 254 HB2 ARG 31 2HB ARG 31 4.861 11.047 11.025 255 HB3 ARG 31 3HB ARG 31 6.542 10.627 11.329 256 HG2 ARG 31 2HG ARG 31 5.509 12.227 8.987 257 HG3 ARG 31 3HG ARG 31 6.347 12.869 10.401 258 HD2 ARG 31 2HD ARG 31 7.509 10.909 8.413 259 HD3 ARG 31 3HD ARG 31 7.834 12.642 8.449 260 HE ARG 31 HE ARG 31 8.603 12.004 10.882 261 HH11 ARG 31 1HH1 ARG 31 9.147 10.221 7.983 262 HH12 ARG 31 2HH1 ARG 31 10.693 9.652 8.503 263 HH21 ARG 31 1HH2 ARG 31 10.580 11.232 11.539 264 HH22 ARG 31 2HH2 ARG 31 11.485 10.207 10.479 265 H GLY 32 H GLY 32 3.273 8.639 10.102 266 HA2 GLY 32 2HA GLY 32 4.164 6.470 11.926 267 HA3 GLY 32 3HA GLY 32 2.694 7.392 12.196 268 H ILE 33 H ILE 33 4.228 4.956 10.191 269 HA ILE 33 HA ILE 33 1.566 4.163 9.172 270 HB ILE 33 HB ILE 33 2.971 5.280 7.432 271 HG12 ILE 33 2HG1 ILE 33 2.377 2.348 6.931 272 HG13 ILE 33 3HG1 ILE 33 1.230 3.677 6.785 273 HG21 ILE 33 1HG2 ILE 33 4.909 4.088 6.503 274 HG22 ILE 33 2HG2 ILE 33 4.779 2.887 7.788 275 HG23 ILE 33 3HG2 ILE 33 5.169 4.562 8.182 276 HD11 ILE 33 3HD1 ILE 33 3.685 3.254 5.099 277 HD12 ILE 33 1HD1 ILE 33 2.574 4.618 4.968 278 HD13 ILE 33 2HD1 ILE 33 2.010 2.985 4.613 279 H ASN 34 H ASN 34 1.313 1.865 8.676 280 HA ASN 34 HA ASN 34 3.380 0.053 9.708 281 HB2 ASN 34 2HB ASN 34 1.818 0.529 11.598 282 HB3 ASN 34 3HB ASN 34 0.490 -0.085 10.623 283 HD21 ASN 34 1HD2 ASN 34 1.510 -1.028 13.190 284 HD22 ASN 34 2HD2 ASN 34 1.934 -2.687 12.950 285 H LEU 35 H LEU 35 3.759 -0.757 7.661 286 HA LEU 35 HA LEU 35 1.770 -1.423 5.770 287 HB2 LEU 35 2HB LEU 35 4.597 -2.466 6.017 288 HB3 LEU 35 3HB LEU 35 3.574 -2.644 4.603 289 HG LEU 35 HG LEU 35 4.527 0.003 5.721 290 HD11 LEU 35 1HD1 LEU 35 5.997 0.080 3.765 291 HD12 LEU 35 2HD1 LEU 35 5.489 -1.548 3.314 292 HD13 LEU 35 3HD1 LEU 35 6.384 -1.285 4.812 293 HD21 LEU 35 3HD2 LEU 35 3.687 0.932 3.609 294 HD22 LEU 35 1HD2 LEU 35 2.394 0.193 4.552 295 HD23 LEU 35 2HD2 LEU 35 3.064 -0.655 3.158 296 H ARG 36 H ARG 36 3.194 -3.248 8.397 297 HA ARG 36 HA ARG 36 2.449 -5.842 7.578 298 HB2 ARG 36 2HB ARG 36 3.982 -4.920 9.565 299 HB3 ARG 36 3HB ARG 36 2.513 -5.168 10.492 300 HG2 ARG 36 2HG ARG 36 3.779 -7.322 8.807 301 HG3 ARG 36 3HG ARG 36 4.179 -7.063 10.503 302 HD2 ARG 36 2HD ARG 36 1.432 -7.692 9.422 303 HD3 ARG 36 3HD ARG 36 2.521 -8.846 10.194 304 HE ARG 36 HE ARG 36 1.980 -6.563 11.832 305 HH11 ARG 36 1HH1 ARG 36 0.851 -9.689 10.898 306 HH12 ARG 36 2HH1 ARG 36 -0.161 -9.844 12.290 307 HH21 ARG 36 1HH2 ARG 36 0.725 -6.812 13.638 308 HH22 ARG 36 2HH2 ARG 36 -0.209 -8.257 13.837 309 H LYS 37 H LYS 37 0.732 -3.420 9.551 310 HA LYS 37 HA LYS 37 -1.571 -4.935 10.131 311 HB2 LYS 37 2HB LYS 37 -0.884 -2.676 11.109 312 HB3 LYS 37 3HB LYS 37 -1.527 -1.942 9.650 313 HG2 LYS 37 2HG LYS 37 -3.237 -3.739 11.334 314 HG3 LYS 37 3HG LYS 37 -2.991 -2.056 11.782 315 HD2 LYS 37 2HD LYS 37 -4.067 -2.972 9.110 316 HD3 LYS 37 3HD LYS 37 -5.074 -2.470 10.467 317 HE2 LYS 37 2HE LYS 37 -3.742 -0.278 10.403 318 HE3 LYS 37 3HE LYS 37 -3.169 -0.812 8.824 319 HZ1 LYS 37 3HZ LYS 37 -5.560 -1.014 8.183 320 HZ2 LYS 37 1HZ LYS 37 -5.058 0.570 8.494 321 HZ3 LYS 37 2HZ LYS 37 -5.968 -0.272 9.642 322 H ILE 38 H ILE 38 -0.747 -2.899 7.355 323 HA ILE 38 HA ILE 38 -3.189 -3.098 5.961 324 HB ILE 38 HB ILE 38 -0.394 -2.807 4.820 325 HG12 ILE 38 2HG1 ILE 38 -0.902 -1.035 6.426 326 HG13 ILE 38 3HG1 ILE 38 -0.892 -0.383 4.792 327 HG21 ILE 38 1HG2 ILE 38 -3.083 -2.215 3.568 328 HG22 ILE 38 2HG2 ILE 38 -1.958 -3.490 3.095 329 HG23 ILE 38 3HG2 ILE 38 -1.520 -1.798 2.866 330 HD11 ILE 38 3HD1 ILE 38 -3.337 -1.072 6.405 331 HD12 ILE 38 1HD1 ILE 38 -3.336 -0.431 4.762 332 HD13 ILE 38 2HD1 ILE 38 -2.711 0.547 6.091 333 H ALA 39 H ALA 39 -0.272 -5.129 5.902 334 HA ALA 39 HA ALA 39 -1.019 -6.954 3.937 335 HB1 ALA 39 3HB ALA 39 1.233 -6.826 4.896 336 HB2 ALA 39 1HB ALA 39 0.605 -8.473 4.936 337 HB3 ALA 39 2HB ALA 39 0.629 -7.501 6.408 338 H GLU 40 H GLU 40 -1.824 -6.956 7.406 339 HA GLU 40 HA GLU 40 -3.101 -9.475 7.479 340 HB2 GLU 40 2HB GLU 40 -3.637 -7.025 9.176 341 HB3 GLU 40 3HB GLU 40 -4.228 -8.642 9.527 342 HG2 GLU 40 2HG GLU 40 -1.833 -9.386 9.628 343 HG3 GLU 40 3HG GLU 40 -1.377 -7.685 9.533 344 H LEU 41 H LEU 41 -4.196 -6.351 6.383 345 HA LEU 41 HA LEU 41 -7.000 -7.005 6.360 346 HB2 LEU 41 2HB LEU 41 -5.523 -4.767 4.965 347 HB3 LEU 41 3HB LEU 41 -7.263 -4.878 5.161 348 HG LEU 41 HG LEU 41 -5.256 -4.558 7.401 349 HD11 LEU 41 1HD1 LEU 41 -6.225 -2.320 7.650 350 HD12 LEU 41 2HD1 LEU 41 -7.219 -2.595 6.216 351 HD13 LEU 41 3HD1 LEU 41 -5.461 -2.536 6.075 352 HD21 LEU 41 3HD2 LEU 41 -8.277 -4.613 7.471 353 HD22 LEU 41 1HD2 LEU 41 -7.224 -4.229 8.834 354 HD23 LEU 41 2HD2 LEU 41 -7.196 -5.844 8.126 355 H MET 42 H MET 42 -4.495 -8.057 4.480 356 HA MET 42 HA MET 42 -6.096 -8.251 2.011 357 HB2 MET 42 2HB MET 42 -3.155 -8.882 2.374 358 HB3 MET 42 3HB MET 42 -4.027 -8.709 0.856 359 HG2 MET 42 2HG MET 42 -4.347 -6.342 1.274 360 HG3 MET 42 3HG MET 42 -3.574 -6.492 2.850 361 HE1 MET 42 3HE MET 42 -2.527 -8.120 -0.627 362 HE2 MET 42 1HE MET 42 -1.406 -6.889 -1.207 363 HE3 MET 42 2HE MET 42 -3.116 -6.503 -1.014 364 HA PRO 43 HA PRO 43 -6.511 -12.560 3.605 365 HB2 PRO 43 2HB PRO 43 -8.951 -13.045 2.550 366 HB3 PRO 43 3HB PRO 43 -8.741 -12.114 4.038 367 HG2 PRO 43 2HG PRO 43 -9.179 -11.127 1.236 368 HG3 PRO 43 3HG PRO 43 -9.952 -10.589 2.742 369 HD2 PRO 43 2HD PRO 43 -7.879 -9.253 1.588 370 HD3 PRO 43 3HD PRO 43 -8.154 -9.273 3.340 371 H GLY 44 H GLY 44 -4.843 -11.983 1.456 372 HA2 GLY 44 2HA GLY 44 -4.407 -14.148 0.018 373 HA3 GLY 44 3HA GLY 44 -5.789 -13.501 -0.857 374 H ALA 45 H ALA 45 -5.254 -12.366 -2.572 375 HA ALA 45 HA ALA 45 -4.169 -11.038 -4.052 376 HB1 ALA 45 3HB ALA 45 -3.098 -9.031 -3.214 377 HB2 ALA 45 1HB ALA 45 -3.016 -9.727 -1.594 378 HB3 ALA 45 2HB ALA 45 -4.582 -9.358 -2.320 379 H SER 46 H SER 46 -2.531 -11.474 -5.375 380 HA SER 46 HA SER 46 -0.247 -13.002 -4.474 381 HB2 SER 46 2HB SER 46 0.327 -13.186 -6.815 382 HB3 SER 46 3HB SER 46 -1.418 -13.401 -6.673 383 HG SER 46 HG SER 46 -1.342 -11.924 -8.226 384 H GLY 47 H GLY 47 1.996 -12.357 -5.303 385 HA2 GLY 47 2HA GLY 47 2.888 -9.930 -4.259 386 HA3 GLY 47 3HA GLY 47 3.763 -10.886 -5.446 387 H ALA 48 H ALA 48 1.595 -10.620 -7.442 388 HA ALA 48 HA ALA 48 2.371 -8.133 -8.640 389 HB1 ALA 48 3HB ALA 48 0.180 -10.045 -9.467 390 HB2 ALA 48 1HB ALA 48 1.865 -10.131 -9.981 391 HB3 ALA 48 2HB ALA 48 0.869 -8.755 -10.453 392 H GLU 49 H GLU 49 -0.549 -9.317 -7.022 393 HA GLU 49 HA GLU 49 -2.110 -6.981 -7.490 394 HB2 GLU 49 2HB GLU 49 -2.419 -9.138 -5.386 395 HB3 GLU 49 3HB GLU 49 -3.635 -7.924 -5.782 396 HG2 GLU 49 2HG GLU 49 -3.762 -8.795 -8.065 397 HG3 GLU 49 3HG GLU 49 -2.552 -10.010 -7.672 398 H VAL 50 H VAL 50 0.162 -7.896 -4.975 399 HA VAL 50 HA VAL 50 -0.307 -5.860 -3.107 400 HB VAL 50 HB VAL 50 2.356 -7.064 -3.926 401 HG11 VAL 50 1HG1 VAL 50 1.617 -5.555 -1.414 402 HG12 VAL 50 2HG1 VAL 50 2.674 -4.973 -2.701 403 HG13 VAL 50 3HG1 VAL 50 3.161 -6.354 -1.718 404 HG21 VAL 50 3HG2 VAL 50 0.446 -7.833 -1.712 405 HG22 VAL 50 1HG2 VAL 50 2.043 -8.535 -1.975 406 HG23 VAL 50 2HG2 VAL 50 0.772 -8.760 -3.176 407 H LYS 51 H LYS 51 1.568 -5.828 -6.116 408 HA LYS 51 HA LYS 51 2.519 -3.189 -6.023 409 HB2 LYS 51 2HB LYS 51 3.327 -4.818 -7.647 410 HB3 LYS 51 3HB LYS 51 1.743 -4.917 -8.391 411 HG2 LYS 51 2HG LYS 51 3.180 -2.292 -8.322 412 HG3 LYS 51 3HG LYS 51 3.655 -3.520 -9.495 413 HD2 LYS 51 2HD LYS 51 0.884 -2.341 -9.182 414 HD3 LYS 51 3HD LYS 51 2.039 -1.942 -10.452 415 HE2 LYS 51 2HE LYS 51 1.957 -4.254 -11.258 416 HE3 LYS 51 3HE LYS 51 0.819 -4.667 -9.975 417 HZ1 LYS 51 3HZ LYS 51 0.317 -2.683 -12.130 418 HZ2 LYS 51 1HZ LYS 51 -0.779 -3.145 -10.928 419 HZ3 LYS 51 2HZ LYS 51 -0.286 -4.259 -12.099 420 H GLY 52 H GLY 52 -0.576 -4.513 -7.110 421 HA2 GLY 52 2HA GLY 52 -1.747 -2.209 -8.183 422 HA3 GLY 52 3HA GLY 52 -2.630 -3.525 -7.427 423 H VAL 53 H VAL 53 -1.858 -3.387 -4.814 424 HA VAL 53 HA VAL 53 -3.355 -1.314 -3.690 425 HB VAL 53 HB VAL 53 -1.088 -2.866 -2.406 426 HG11 VAL 53 1HG1 VAL 53 -1.638 -0.865 -1.117 427 HG12 VAL 53 2HG1 VAL 53 -2.161 -2.318 -0.267 428 HG13 VAL 53 3HG1 VAL 53 -3.343 -1.319 -1.113 429 HG21 VAL 53 3HG2 VAL 53 -2.819 -4.328 -3.309 430 HG22 VAL 53 1HG2 VAL 53 -4.061 -3.414 -2.454 431 HG23 VAL 53 2HG2 VAL 53 -2.860 -4.335 -1.546 432 H CYS 54 H CYS 54 0.161 -1.548 -4.157 433 HA CYS 54 HA CYS 54 0.863 0.924 -2.994 434 HB2 CYS 54 2HB CYS 54 2.273 -0.569 -5.227 435 HB3 CYS 54 3HB CYS 54 2.981 0.696 -4.226 436 HG CYS 54 HG CYS 54 1.859 -2.281 -2.954 437 H THR 55 H THR 55 -0.241 0.087 -6.229 438 HA THR 55 HA THR 55 0.372 2.563 -7.500 439 HB THR 55 HB THR 55 -1.780 0.560 -8.258 440 HG1 THR 55 HG1 THR 55 0.596 -0.100 -8.136 441 HG21 THR 55 3HG2 THR 55 -1.541 1.487 -10.522 442 HG22 THR 55 1HG2 THR 55 -0.390 2.679 -9.913 443 HG23 THR 55 2HG2 THR 55 -2.071 2.720 -9.378 444 H GLU 56 H GLU 56 -2.692 1.258 -6.205 445 HA GLU 56 HA GLU 56 -4.216 3.576 -6.762 446 HB2 GLU 56 2HB GLU 56 -4.723 1.308 -4.829 447 HB3 GLU 56 3HB GLU 56 -5.902 2.553 -5.221 448 HG2 GLU 56 2HG GLU 56 -4.701 0.551 -7.134 449 HG3 GLU 56 3HG GLU 56 -6.343 0.536 -6.491 450 H ALA 57 H ALA 57 -2.504 2.525 -3.835 451 HA ALA 57 HA ALA 57 -3.420 4.367 -1.987 452 HB1 ALA 57 3HB ALA 57 -1.874 2.541 -1.443 453 HB2 ALA 57 1HB ALA 57 -1.283 4.088 -0.834 454 HB3 ALA 57 2HB ALA 57 -0.576 3.385 -2.289 455 H GLY 58 H GLY 58 -0.939 4.831 -4.484 456 HA2 GLY 58 2HA GLY 58 -0.227 7.485 -3.758 457 HA3 GLY 58 3HA GLY 58 0.045 6.735 -5.323 458 H MET 59 H MET 59 -2.713 6.187 -5.925 459 HA MET 59 HA MET 59 -3.469 8.591 -7.175 460 HB2 MET 59 2HB MET 59 -5.150 6.152 -6.551 461 HB3 MET 59 3HB MET 59 -5.627 7.443 -7.643 462 HG2 MET 59 2HG MET 59 -3.058 6.022 -8.154 463 HG3 MET 59 3HG MET 59 -4.572 5.207 -8.531 464 HE1 MET 59 3HE MET 59 -2.192 8.215 -9.355 465 HE2 MET 59 1HE MET 59 -3.633 9.114 -8.880 466 HE3 MET 59 2HE MET 59 -3.112 9.110 -10.563 467 H TYR 60 H TYR 60 -4.651 7.083 -4.182 468 HA TYR 60 HA TYR 60 -6.676 8.932 -3.564 469 HB2 TYR 60 2HB TYR 60 -4.928 7.251 -1.755 470 HB3 TYR 60 3HB TYR 60 -6.296 8.193 -1.177 471 HD1 TYR 60 HD2 TYR 60 -8.602 7.670 -2.223 472 HD2 TYR 60 HD1 TYR 60 -5.255 5.052 -2.499 473 HE1 TYR 60 HE2 TYR 60 -10.116 5.793 -2.681 474 HE2 TYR 60 HE1 TYR 60 -6.766 3.168 -2.958 475 HH TYR 60 HH TYR 60 -9.121 2.555 -2.555 476 H ALA 61 H ALA 61 -3.252 8.889 -2.573 477 HA ALA 61 HA ALA 61 -3.288 11.256 -1.055 478 HB1 ALA 61 3HB ALA 61 -1.496 9.594 -0.909 479 HB2 ALA 61 1HB ALA 61 -0.854 11.203 -1.240 480 HB3 ALA 61 2HB ALA 61 -0.969 10.015 -2.539 481 H LEU 62 H LEU 62 -2.362 10.747 -4.469 482 HA LEU 62 HA LEU 62 -1.530 13.342 -5.055 483 HB2 LEU 62 2HB LEU 62 -2.759 11.247 -6.845 484 HB3 LEU 62 3HB LEU 62 -2.103 12.758 -7.451 485 HG LEU 62 HG LEU 62 -0.542 10.611 -5.998 486 HD11 LEU 62 1HD1 LEU 62 -0.528 11.447 -8.900 487 HD12 LEU 62 2HD1 LEU 62 -1.154 9.931 -8.248 488 HD13 LEU 62 3HD1 LEU 62 0.573 10.282 -8.161 489 HD21 LEU 62 3HD2 LEU 62 0.339 12.824 -5.490 490 HD22 LEU 62 1HD2 LEU 62 0.391 13.219 -7.208 491 HD23 LEU 62 2HD2 LEU 62 1.437 11.955 -6.561 492 H ARG 63 H ARG 63 -4.818 11.961 -5.467 493 HA ARG 63 HA ARG 63 -5.945 14.300 -6.580 494 HB2 ARG 63 2HB ARG 63 -8.094 13.331 -6.190 495 HB3 ARG 63 3HB ARG 63 -7.003 12.028 -6.634 496 HG2 ARG 63 2HG ARG 63 -6.856 11.285 -4.354 497 HG3 ARG 63 3HG ARG 63 -7.760 12.693 -3.793 498 HD2 ARG 63 2HD ARG 63 -9.701 11.913 -5.142 499 HD3 ARG 63 3HD ARG 63 -8.793 10.454 -5.535 500 HE ARG 63 HE ARG 63 -8.734 10.306 -2.906 501 HH11 ARG 63 1HH1 ARG 63 -11.369 11.259 -4.906 502 HH12 ARG 63 2HH1 ARG 63 -12.563 10.633 -3.827 503 HH21 ARG 63 1HH2 ARG 63 -10.273 9.503 -1.529 504 HH22 ARG 63 2HH2 ARG 63 -11.948 9.607 -1.957 505 H GLU 64 H GLU 64 -5.283 13.393 -3.272 506 HA GLU 64 HA GLU 64 -6.785 15.672 -2.220 507 HB2 GLU 64 2HB GLU 64 -5.224 13.477 -0.839 508 HB3 GLU 64 3HB GLU 64 -6.031 14.794 0.006 509 HG2 GLU 64 2HG GLU 64 -8.171 14.038 -1.085 510 HG3 GLU 64 3HG GLU 64 -7.295 12.607 -1.628 511 H ARG 65 H ARG 65 -4.138 15.689 -3.835 512 HA ARG 65 HA ARG 65 -2.395 17.117 -4.060 513 HB2 ARG 65 2HB ARG 65 -3.756 18.562 -1.777 514 HB3 ARG 65 3HB ARG 65 -2.352 19.189 -2.622 515 HG2 ARG 65 2HG ARG 65 -4.206 20.282 -3.568 516 HG3 ARG 65 3HG ARG 65 -3.723 19.066 -4.748 517 HD2 ARG 65 2HD ARG 65 -5.554 17.665 -4.195 518 HD3 ARG 65 3HD ARG 65 -5.905 18.575 -2.726 519 HE ARG 65 HE ARG 65 -6.213 20.388 -4.740 520 HH11 ARG 65 1HH1 ARG 65 -7.558 17.266 -4.164 521 HH12 ARG 65 2HH1 ARG 65 -9.096 17.697 -4.821 522 HH21 ARG 65 1HH2 ARG 65 -8.179 20.900 -5.605 523 HH22 ARG 65 2HH2 ARG 65 -9.426 19.707 -5.664 524 H ARG 66 H ARG 66 -2.505 14.920 -1.791 525 HA ARG 66 HA ARG 66 -0.382 15.865 -0.022 526 HB2 ARG 66 2HB ARG 66 -2.030 13.329 -0.064 527 HB3 ARG 66 3HB ARG 66 -0.725 13.612 1.080 528 HG2 ARG 66 2HG ARG 66 -1.911 15.582 1.941 529 HG3 ARG 66 3HG ARG 66 -3.226 15.280 0.805 530 HD2 ARG 66 2HD ARG 66 -2.326 13.286 2.888 531 HD3 ARG 66 3HD ARG 66 -3.615 14.457 3.155 532 HE ARG 66 HE ARG 66 -4.926 13.333 1.518 533 HH11 ARG 66 1HH1 ARG 66 -1.997 11.670 2.269 534 HH12 ARG 66 2HH1 ARG 66 -2.612 10.142 1.744 535 HH21 ARG 66 1HH2 ARG 66 -5.681 11.360 0.845 536 HH22 ARG 66 2HH2 ARG 66 -4.648 9.977 0.940 537 H VAL 67 H VAL 67 1.686 15.628 -0.581 538 HA VAL 67 HA VAL 67 2.588 13.882 -2.650 539 HB VAL 67 HB VAL 67 4.211 15.339 -0.540 540 HG11 VAL 67 1HG1 VAL 67 6.094 15.096 -2.113 541 HG12 VAL 67 2HG1 VAL 67 5.079 14.104 -3.161 542 HG13 VAL 67 3HG1 VAL 67 5.500 13.535 -1.545 543 HG21 VAL 67 3HG2 VAL 67 4.582 17.024 -2.301 544 HG22 VAL 67 1HG2 VAL 67 2.877 16.880 -1.869 545 HG23 VAL 67 2HG2 VAL 67 3.475 16.148 -3.359 546 H HIS 68 H HIS 68 2.587 13.679 0.882 547 HA HIS 68 HA HIS 68 3.973 11.112 0.818 548 HB2 HIS 68 2HB HIS 68 3.948 11.233 3.261 549 HB3 HIS 68 3HB HIS 68 4.586 12.717 2.568 550 HD1 HIS 68 HD1 HIS 68 3.173 14.865 2.870 551 HD2 HIS 68 HD2 HIS 68 1.569 11.504 4.707 552 HE1 HIS 68 HE1 HIS 68 1.354 15.722 4.365 553 HE2 HIS 68 HE2 HIS 68 0.537 13.697 5.610 554 H VAL 69 H VAL 69 2.966 9.220 0.742 555 HA VAL 69 HA VAL 69 0.101 9.005 0.952 556 HB VAL 69 HB VAL 69 2.156 6.795 0.671 557 HG11 VAL 69 1HG1 VAL 69 -0.815 6.800 0.107 558 HG12 VAL 69 2HG1 VAL 69 -0.006 5.962 1.431 559 HG13 VAL 69 3HG1 VAL 69 0.294 5.470 -0.236 560 HG21 VAL 69 3HG2 VAL 69 0.629 8.288 -1.470 561 HG22 VAL 69 1HG2 VAL 69 1.670 6.889 -1.735 562 HG23 VAL 69 2HG2 VAL 69 2.361 8.402 -1.150 563 H THR 70 H THR 70 -1.086 7.903 2.548 564 HA THR 70 HA THR 70 0.332 7.630 5.136 565 HB THR 70 HB THR 70 -1.604 8.385 6.289 566 HG1 THR 70 HG1 THR 70 -3.153 8.651 3.945 567 HG21 THR 70 3HG2 THR 70 -1.383 10.078 3.788 568 HG22 THR 70 1HG2 THR 70 -0.325 10.193 5.197 569 HG23 THR 70 2HG2 THR 70 -2.036 10.598 5.342 570 H GLN 71 H GLN 71 -0.944 6.261 6.745 571 HA GLN 71 HA GLN 71 -1.177 3.606 5.929 572 HB2 GLN 71 2HB GLN 71 -0.851 4.382 8.273 573 HB3 GLN 71 3HB GLN 71 -2.515 4.942 8.299 574 HG2 GLN 71 2HG GLN 71 -2.525 2.881 9.415 575 HG3 GLN 71 3HG GLN 71 -3.198 2.554 7.822 576 HE21 GLN 71 1HE2 GLN 71 -1.882 0.777 9.748 577 HE22 GLN 71 2HE2 GLN 71 -0.588 0.041 8.879 578 H GLU 72 H GLU 72 -3.586 6.164 6.119 579 HA GLU 72 HA GLU 72 -5.916 4.583 5.878 580 HB2 GLU 72 2HB GLU 72 -5.505 7.463 5.028 581 HB3 GLU 72 3HB GLU 72 -7.050 6.686 5.357 582 HG2 GLU 72 2HG GLU 72 -6.438 6.409 7.695 583 HG3 GLU 72 3HG GLU 72 -4.855 7.116 7.382 584 H ASP 73 H ASP 73 -3.865 6.172 3.473 585 HA ASP 73 HA ASP 73 -5.464 5.684 1.208 586 HB2 ASP 73 2HB ASP 73 -2.456 5.989 1.393 587 HB3 ASP 73 3HB ASP 73 -3.403 6.109 -0.089 588 H PHE 74 H PHE 74 -2.816 3.760 2.626 589 HA PHE 74 HA PHE 74 -2.712 1.772 0.644 590 HB2 PHE 74 2HB PHE 74 -1.911 1.801 3.543 591 HB3 PHE 74 3HB PHE 74 -1.779 0.326 2.591 592 HD1 PHE 74 HD2 PHE 74 -0.278 0.255 0.618 593 HD2 PHE 74 HD1 PHE 74 -0.338 3.581 3.283 594 HE1 PHE 74 HE2 PHE 74 1.892 0.997 -0.265 595 HE2 PHE 74 HE1 PHE 74 1.832 4.327 2.398 596 HZ PHE 74 HZ PHE 74 2.950 3.036 0.624 597 H GLU 75 H GLU 75 -4.506 1.697 3.768 598 HA GLU 75 HA GLU 75 -5.658 -0.844 3.258 599 HB2 GLU 75 2HB GLU 75 -7.281 -0.259 5.065 600 HB3 GLU 75 3HB GLU 75 -5.591 -0.100 5.516 601 HG2 GLU 75 2HG GLU 75 -5.722 2.308 5.293 602 HG3 GLU 75 3HG GLU 75 -7.389 2.191 4.724 603 H MET 76 H MET 76 -6.814 2.434 2.527 604 HA MET 76 HA MET 76 -9.315 1.661 1.439 605 HB2 MET 76 2HB MET 76 -7.541 4.057 0.987 606 HB3 MET 76 3HB MET 76 -9.058 3.855 0.118 607 HG2 MET 76 2HG MET 76 -8.743 3.995 3.112 608 HG3 MET 76 3HG MET 76 -9.328 5.290 2.067 609 HE1 MET 76 3HE MET 76 -11.616 5.182 0.709 610 HE2 MET 76 1HE MET 76 -12.700 3.791 0.729 611 HE3 MET 76 2HE MET 76 -11.115 3.662 -0.033 612 H ALA 77 H ALA 77 -6.077 1.815 0.066 613 HA ALA 77 HA ALA 77 -6.762 1.277 -2.621 614 HB1 ALA 77 3HB ALA 77 -4.556 2.111 -1.946 615 HB2 ALA 77 1HB ALA 77 -4.431 0.642 -2.915 616 HB3 ALA 77 2HB ALA 77 -4.214 0.567 -1.166 617 H VAL 78 H VAL 78 -5.827 -0.925 0.037 618 HA VAL 78 HA VAL 78 -5.966 -3.361 -1.297 619 HB VAL 78 HB VAL 78 -6.811 -2.780 1.553 620 HG11 VAL 78 1HG1 VAL 78 -7.663 -4.944 0.817 621 HG12 VAL 78 2HG1 VAL 78 -6.362 -5.158 1.986 622 HG13 VAL 78 3HG1 VAL 78 -6.053 -5.410 0.267 623 HG21 VAL 78 3HG2 VAL 78 -4.507 -2.081 1.075 624 HG22 VAL 78 1HG2 VAL 78 -4.139 -3.696 0.468 625 HG23 VAL 78 2HG2 VAL 78 -4.545 -3.461 2.170 626 H ALA 79 H ALA 79 -8.593 -1.652 0.404 627 HA ALA 79 HA ALA 79 -10.662 -3.457 -0.120 628 HB1 ALA 79 3HB ALA 79 -10.864 -0.459 0.176 629 HB2 ALA 79 1HB ALA 79 -10.828 -1.624 1.500 630 HB3 ALA 79 2HB ALA 79 -12.181 -1.616 0.369 631 H LYS 80 H LYS 80 -9.247 -1.006 -2.197 632 HA LYS 80 HA LYS 80 -11.370 -1.125 -4.157 633 HB2 LYS 80 2HB LYS 80 -10.089 0.949 -3.776 634 HB3 LYS 80 3HB LYS 80 -8.630 0.147 -4.343 635 HG2 LYS 80 2HG LYS 80 -9.596 -0.113 -6.558 636 HG3 LYS 80 3HG LYS 80 -11.112 0.598 -5.999 637 HD2 LYS 80 2HD LYS 80 -9.927 2.704 -5.511 638 HD3 LYS 80 3HD LYS 80 -8.429 1.992 -6.117 639 HE2 LYS 80 2HE LYS 80 -9.476 1.710 -8.328 640 HE3 LYS 80 3HE LYS 80 -10.960 2.434 -7.710 641 HZ1 LYS 80 3HZ LYS 80 -9.647 4.050 -8.912 642 HZ2 LYS 80 1HZ LYS 80 -8.324 3.781 -7.893 643 HZ3 LYS 80 2HZ LYS 80 -9.734 4.473 -7.276 644 H VAL 81 H VAL 81 -8.004 -2.298 -3.972 645 HA VAL 81 HA VAL 81 -7.930 -3.459 -6.548 646 HB VAL 81 HB VAL 81 -6.327 -4.234 -4.091 647 HG11 VAL 81 1HG1 VAL 81 -6.270 -5.987 -5.803 648 HG12 VAL 81 2HG1 VAL 81 -4.706 -5.184 -5.664 649 HG13 VAL 81 3HG1 VAL 81 -5.778 -4.799 -7.013 650 HG21 VAL 81 3HG2 VAL 81 -6.053 -1.882 -4.658 651 HG22 VAL 81 1HG2 VAL 81 -5.696 -2.303 -6.332 652 HG23 VAL 81 2HG2 VAL 81 -4.584 -2.777 -5.046 653 H MET 82 H MET 82 -8.502 -4.982 -3.354 654 HA MET 82 HA MET 82 -9.196 -7.515 -4.550 655 HB2 MET 82 2HB MET 82 -9.603 -6.596 -1.693 656 HB3 MET 82 3HB MET 82 -9.674 -8.253 -2.276 657 HG2 MET 82 2HG MET 82 -7.250 -7.920 -3.003 658 HG3 MET 82 3HG MET 82 -7.277 -6.468 -2.005 659 HE1 MET 82 3HE MET 82 -9.020 -9.972 -1.472 660 HE2 MET 82 1HE MET 82 -7.834 -10.773 -0.441 661 HE3 MET 82 2HE MET 82 -7.421 -10.363 -2.105 662 H GLN 83 H GLN 83 -10.855 -4.635 -4.132 663 HA GLN 83 HA GLN 83 -13.020 -3.967 -4.201 664 HB2 GLN 83 2HB GLN 83 -13.297 -6.602 -5.661 665 HB3 GLN 83 3HB GLN 83 -14.577 -5.397 -5.569 666 HG2 GLN 83 2HG GLN 83 -13.149 -3.778 -6.705 667 HG3 GLN 83 3HG GLN 83 -11.847 -4.965 -6.775 668 HE21 GLN 83 1HE2 GLN 83 -14.963 -4.056 -8.038 669 HE22 GLN 83 2HE2 GLN 83 -14.936 -5.113 -9.401 670 H LYS 84 H LYS 84 -12.904 -4.284 -1.812 671 HA LYS 84 HA LYS 84 -14.228 -6.549 -0.653 672 HB2 LYS 84 2HB LYS 84 -13.038 -4.015 0.386 673 HB3 LYS 84 3HB LYS 84 -14.168 -4.881 1.417 674 HG2 LYS 84 2HG LYS 84 -12.091 -6.594 0.235 675 HG3 LYS 84 3HG LYS 84 -11.467 -5.328 1.294 676 HD2 LYS 84 2HD LYS 84 -11.911 -7.414 2.527 677 HD3 LYS 84 3HD LYS 84 -12.918 -6.087 3.103 678 HE2 LYS 84 2HE LYS 84 -14.739 -6.985 1.580 679 HE3 LYS 84 3HE LYS 84 -13.726 -8.411 1.358 680 HZ1 LYS 84 3HZ LYS 84 -15.371 -8.751 3.094 681 HZ2 LYS 84 1HZ LYS 84 -14.778 -7.417 3.955 682 HZ3 LYS 84 2HZ LYS 84 -13.810 -8.786 3.753 683 H ASP 85 H ASP 85 -16.211 -6.448 -1.874 684 HA ASP 85 HA ASP 85 -18.158 -4.427 -1.074 685 HB2 ASP 85 2HB ASP 85 -19.670 -5.600 -2.617 686 HB3 ASP 85 3HB ASP 85 -18.135 -5.231 -3.397 687 H SER 86 H SER 86 -17.274 -7.717 -0.333 688 HA SER 86 HA SER 86 -19.396 -7.829 1.725 689 HB2 SER 86 2HB SER 86 -19.954 -9.388 -0.073 690 HB3 SER 86 3HB SER 86 -18.360 -10.130 0.045 691 HG SER 86 HG SER 86 -20.581 -10.374 1.717 Start of MODEL 6 1 H1 MET 1 1H MET 1 -12.815 -20.327 -16.019 2 H2 MET 1 2H MET 1 -12.055 -18.970 -15.367 3 H3 MET 1 3H MET 1 -11.305 -20.481 -15.275 4 HA MET 1 HA MET 1 -11.145 -20.566 -17.690 5 HB2 MET 1 2HB MET 1 -13.100 -19.055 -18.070 6 HB3 MET 1 3HB MET 1 -12.113 -17.695 -17.554 7 HG2 MET 1 2HG MET 1 -12.267 -17.815 -19.977 8 HG3 MET 1 3HG MET 1 -10.605 -18.063 -19.435 9 HE1 MET 1 3HE MET 1 -11.022 -20.320 -22.670 10 HE2 MET 1 1HE MET 1 -10.156 -18.953 -21.965 11 HE3 MET 1 2HE MET 1 -11.869 -18.803 -22.362 12 H GLY 2 H GLY 2 -10.501 -17.671 -15.679 13 HA2 GLY 2 2HA GLY 2 -7.721 -17.610 -16.596 14 HA3 GLY 2 3HA GLY 2 -8.501 -16.437 -15.544 15 H HIS 3 H HIS 3 -5.968 -17.396 -14.919 16 HA HIS 3 HA HIS 3 -6.335 -18.391 -12.291 17 HB2 HIS 3 2HB HIS 3 -5.186 -20.599 -12.567 18 HB3 HIS 3 3HB HIS 3 -6.779 -20.527 -13.308 19 HD1 HIS 3 HD1 HIS 3 -6.928 -20.951 -15.799 20 HD2 HIS 3 HD2 HIS 3 -3.010 -20.649 -14.447 21 HE1 HIS 3 HE1 HIS 3 -5.496 -21.675 -17.725 22 HE2 HIS 3 HE2 HIS 3 -3.129 -21.366 -16.931 23 H HIS 4 H HIS 4 -4.574 -18.006 -11.030 24 HA HIS 4 HA HIS 4 -2.218 -16.815 -12.142 25 HB2 HIS 4 2HB HIS 4 -2.804 -17.845 -9.350 26 HB3 HIS 4 3HB HIS 4 -1.320 -17.006 -9.793 27 HD1 HIS 4 HD1 HIS 4 -1.692 -14.463 -10.664 28 HD2 HIS 4 HD2 HIS 4 -4.857 -16.202 -8.611 29 HE1 HIS 4 HE1 HIS 4 -3.128 -12.556 -9.904 30 HE2 HIS 4 HE2 HIS 4 -5.126 -13.642 -8.846 31 H HIS 5 H HIS 5 -0.398 -17.800 -12.868 32 HA HIS 5 HA HIS 5 -0.217 -20.579 -13.191 33 HB2 HIS 5 2HB HIS 5 1.019 -18.866 -14.547 34 HB3 HIS 5 3HB HIS 5 2.110 -18.638 -13.183 35 HD1 HIS 5 HD1 HIS 5 1.097 -21.230 -15.737 36 HD2 HIS 5 HD2 HIS 5 4.132 -20.520 -12.985 37 HE1 HIS 5 HE1 HIS 5 2.842 -22.972 -16.194 38 HE2 HIS 5 HE2 HIS 5 4.595 -22.614 -14.436 39 H HIS 6 H HIS 6 1.154 -18.466 -10.695 40 HA HIS 6 HA HIS 6 2.214 -20.690 -9.169 41 HB2 HIS 6 2HB HIS 6 3.166 -18.327 -9.128 42 HB3 HIS 6 3HB HIS 6 1.742 -17.847 -8.216 43 HD1 HIS 6 HD1 HIS 6 5.121 -18.859 -7.722 44 HD2 HIS 6 HD2 HIS 6 1.555 -19.529 -5.692 45 HE1 HIS 6 HE1 HIS 6 5.788 -19.550 -5.404 46 HE2 HIS 6 HE2 HIS 6 3.623 -20.029 -4.216 47 H HIS 7 H HIS 7 0.315 -21.997 -8.993 48 HA HIS 7 HA HIS 7 -2.060 -20.787 -7.764 49 HB2 HIS 7 2HB HIS 7 -2.111 -22.104 -9.968 50 HB3 HIS 7 3HB HIS 7 -1.902 -23.545 -8.979 51 HD1 HIS 7 HD1 HIS 7 -3.909 -24.183 -7.388 52 HD2 HIS 7 HD2 HIS 7 -4.661 -21.003 -9.956 53 HE1 HIS 7 HE1 HIS 7 -6.398 -23.872 -7.360 54 HE2 HIS 7 HE2 HIS 7 -6.822 -21.885 -8.842 55 H HIS 8 H HIS 8 0.576 -22.352 -6.580 56 HA HIS 8 HA HIS 8 -0.969 -23.283 -4.262 57 HB2 HIS 8 2HB HIS 8 0.589 -25.255 -4.036 58 HB3 HIS 8 3HB HIS 8 -0.536 -25.338 -5.384 59 HD1 HIS 8 HD1 HIS 8 0.445 -25.565 -7.700 60 HD2 HIS 8 HD2 HIS 8 3.323 -24.764 -4.809 61 HE1 HIS 8 HE1 HIS 8 2.653 -25.913 -8.836 62 HE2 HIS 8 HE2 HIS 8 4.364 -25.210 -7.137 63 H SER 9 H SER 9 -0.012 -23.044 -2.279 64 HA SER 9 HA SER 9 1.288 -22.132 -0.659 65 HB2 SER 9 2HB SER 9 3.133 -23.486 -1.430 66 HB3 SER 9 3HB SER 9 3.471 -22.361 -2.743 67 HG SER 9 HG SER 9 3.880 -22.023 0.034 68 H HIS 10 H HIS 10 0.382 -20.170 -0.326 69 HA HIS 10 HA HIS 10 1.053 -17.896 -2.004 70 HB2 HIS 10 2HB HIS 10 -0.421 -16.610 -0.543 71 HB3 HIS 10 3HB HIS 10 -1.213 -18.104 -1.021 72 HD1 HIS 10 HD1 HIS 10 -1.892 -19.718 0.839 73 HD2 HIS 10 HD2 HIS 10 0.340 -16.490 2.217 74 HE1 HIS 10 HE1 HIS 10 -2.075 -19.787 3.339 75 HE2 HIS 10 HE2 HIS 10 -0.649 -17.887 4.154 76 HA PRO 11 HA PRO 11 4.644 -16.487 0.200 77 HB2 PRO 11 2HB PRO 11 4.209 -13.753 0.187 78 HB3 PRO 11 3HB PRO 11 4.861 -14.671 -1.174 79 HG2 PRO 11 2HG PRO 11 2.050 -13.757 -0.678 80 HG3 PRO 11 3HG PRO 11 2.984 -13.740 -2.187 81 HD2 PRO 11 2HD PRO 11 1.135 -15.627 -1.718 82 HD3 PRO 11 3HD PRO 11 2.648 -16.016 -2.564 83 H ASN 12 H ASN 12 5.183 -16.292 2.318 84 HA ASN 12 HA ASN 12 3.237 -16.162 4.357 85 HB2 ASN 12 2HB ASN 12 6.241 -15.817 4.519 86 HB3 ASN 12 3HB ASN 12 5.183 -16.030 5.911 87 HD21 ASN 12 1HD2 ASN 12 6.185 -17.940 6.532 88 HD22 ASN 12 2HD2 ASN 12 5.989 -19.411 5.644 89 H GLU 13 H GLU 13 3.549 -14.583 6.291 90 HA GLU 13 HA GLU 13 2.502 -12.134 5.531 91 HB2 GLU 13 2HB GLU 13 2.172 -13.005 7.756 92 HB3 GLU 13 3HB GLU 13 3.896 -12.925 8.095 93 HG2 GLU 13 2HG GLU 13 3.788 -10.461 7.914 94 HG3 GLU 13 3HG GLU 13 2.047 -10.579 7.664 95 H GLU 14 H GLU 14 5.819 -12.629 6.832 96 HA GLU 14 HA GLU 14 6.576 -9.938 6.288 97 HB2 GLU 14 2HB GLU 14 8.267 -12.352 6.969 98 HB3 GLU 14 3HB GLU 14 8.889 -10.709 6.854 99 HG2 GLU 14 2HG GLU 14 7.195 -10.072 8.620 100 HG3 GLU 14 3HG GLU 14 6.898 -11.796 8.834 101 H ALA 15 H ALA 15 6.804 -12.889 4.410 102 HA ALA 15 HA ALA 15 8.659 -12.016 2.469 103 HB1 ALA 15 3HB ALA 15 7.967 -14.357 2.711 104 HB2 ALA 15 1HB ALA 15 7.753 -13.787 1.055 105 HB3 ALA 15 2HB ALA 15 6.356 -13.943 2.122 106 H ARG 16 H ARG 16 5.092 -11.933 2.428 107 HA ARG 16 HA ARG 16 4.941 -10.387 0.026 108 HB2 ARG 16 2HB ARG 16 2.568 -10.295 0.432 109 HB3 ARG 16 3HB ARG 16 3.146 -11.914 0.799 110 HG2 ARG 16 2HG ARG 16 3.228 -11.152 3.237 111 HG3 ARG 16 3HG ARG 16 2.271 -9.766 2.708 112 HD2 ARG 16 2HD ARG 16 1.534 -12.686 2.608 113 HD3 ARG 16 3HD ARG 16 0.736 -11.393 3.504 114 HE ARG 16 HE ARG 16 0.757 -11.326 0.570 115 HH11 ARG 16 1HH1 ARG 16 -0.977 -11.559 3.532 116 HH12 ARG 16 2HH1 ARG 16 -2.518 -11.421 2.764 117 HH21 ARG 16 1HH2 ARG 16 -1.229 -11.175 -0.409 118 HH22 ARG 16 2HH2 ARG 16 -2.657 -11.208 0.569 119 H LEU 17 H LEU 17 4.972 -9.599 3.469 120 HA LEU 17 HA LEU 17 4.340 -6.866 3.307 121 HB2 LEU 17 2HB LEU 17 4.405 -7.987 5.433 122 HB3 LEU 17 3HB LEU 17 6.094 -8.406 5.223 123 HG LEU 17 HG LEU 17 6.732 -6.053 5.457 124 HD11 LEU 17 1HD1 LEU 17 3.787 -5.535 5.867 125 HD12 LEU 17 2HD1 LEU 17 4.771 -4.988 4.509 126 HD13 LEU 17 3HD1 LEU 17 5.082 -4.366 6.128 127 HD21 LEU 17 3HD2 LEU 17 6.585 -7.476 7.454 128 HD22 LEU 17 1HD2 LEU 17 4.912 -6.967 7.690 129 HD23 LEU 17 2HD2 LEU 17 6.222 -5.790 7.820 130 H ASP 18 H ASP 18 7.355 -8.595 2.764 131 HA ASP 18 HA ASP 18 9.139 -6.462 2.599 132 HB2 ASP 18 2HB ASP 18 9.834 -8.809 2.586 133 HB3 ASP 18 3HB ASP 18 9.098 -9.032 1.002 134 H ILE 19 H ILE 19 6.888 -7.724 0.176 135 HA ILE 19 HA ILE 19 7.641 -6.210 -2.053 136 HB ILE 19 HB ILE 19 4.811 -6.919 -1.226 137 HG12 ILE 19 2HG1 ILE 19 6.738 -8.527 -2.933 138 HG13 ILE 19 3HG1 ILE 19 6.367 -8.880 -1.247 139 HG21 ILE 19 1HG2 ILE 19 4.902 -5.291 -3.044 140 HG22 ILE 19 2HG2 ILE 19 4.310 -6.848 -3.622 141 HG23 ILE 19 3HG2 ILE 19 5.970 -6.355 -3.960 142 HD11 ILE 19 3HD1 ILE 19 5.114 -10.329 -2.712 143 HD12 ILE 19 1HD1 ILE 19 4.425 -8.938 -3.546 144 HD13 ILE 19 2HD1 ILE 19 4.019 -9.242 -1.856 145 H LEU 20 H LEU 20 5.287 -5.427 0.504 146 HA LEU 20 HA LEU 20 4.659 -2.821 -0.348 147 HB2 LEU 20 2HB LEU 20 4.563 -4.094 2.391 148 HB3 LEU 20 3HB LEU 20 3.888 -2.514 2.032 149 HG LEU 20 HG LEU 20 3.011 -5.048 0.629 150 HD11 LEU 20 1HD1 LEU 20 2.488 -5.267 2.989 151 HD12 LEU 20 2HD1 LEU 20 1.018 -4.992 2.055 152 HD13 LEU 20 3HD1 LEU 20 1.727 -3.673 2.991 153 HD21 LEU 20 3HD2 LEU 20 2.598 -2.986 -0.616 154 HD22 LEU 20 1HD2 LEU 20 1.772 -2.294 0.782 155 HD23 LEU 20 2HD2 LEU 20 1.086 -3.693 -0.048 156 H LYS 21 H LYS 21 7.227 -4.007 1.811 157 HA LYS 21 HA LYS 21 8.280 -1.538 2.625 158 HB2 LYS 21 2HB LYS 21 9.718 -4.140 2.051 159 HB3 LYS 21 3HB LYS 21 10.457 -2.764 2.857 160 HG2 LYS 21 2HG LYS 21 8.946 -2.978 4.728 161 HG3 LYS 21 3HG LYS 21 8.041 -4.247 3.893 162 HD2 LYS 21 2HD LYS 21 10.034 -5.683 3.917 163 HD3 LYS 21 3HD LYS 21 10.940 -4.420 4.750 164 HE2 LYS 21 2HE LYS 21 8.438 -5.681 5.865 165 HE3 LYS 21 3HE LYS 21 10.056 -6.284 6.202 166 HZ1 LYS 21 3HZ LYS 21 9.054 -3.561 6.849 167 HZ2 LYS 21 1HZ LYS 21 10.613 -4.137 7.163 168 HZ3 LYS 21 2HZ LYS 21 9.280 -4.822 7.948 169 H ILE 22 H ILE 22 9.159 -3.517 -0.209 170 HA ILE 22 HA ILE 22 11.117 -1.847 -1.296 171 HB ILE 22 HB ILE 22 9.214 -3.705 -2.746 172 HG12 ILE 22 2HG1 ILE 22 12.049 -4.149 -1.759 173 HG13 ILE 22 3HG1 ILE 22 10.597 -4.794 -1.002 174 HG21 ILE 22 1HG2 ILE 22 11.817 -2.504 -3.712 175 HG22 ILE 22 2HG2 ILE 22 10.204 -2.118 -4.311 176 HG23 ILE 22 3HG2 ILE 22 10.871 -3.731 -4.559 177 HD11 ILE 22 3HD1 ILE 22 11.611 -5.465 -3.757 178 HD12 ILE 22 1HD1 ILE 22 10.133 -6.093 -3.026 179 HD13 ILE 22 2HD1 ILE 22 11.700 -6.488 -2.324 180 H HIS 23 H HIS 23 7.599 -1.838 -1.880 181 HA HIS 23 HA HIS 23 7.746 0.244 -3.852 182 HB2 HIS 23 2HB HIS 23 5.383 -0.916 -2.363 183 HB3 HIS 23 3HB HIS 23 5.250 0.267 -3.662 184 HD1 HIS 23 HD1 HIS 23 6.329 -0.587 -6.028 185 HD2 HIS 23 HD2 HIS 23 5.363 -3.500 -3.230 186 HE1 HIS 23 HE1 HIS 23 6.247 -2.741 -7.304 187 HE2 HIS 23 HE2 HIS 23 5.858 -4.507 -5.562 188 H SER 24 H SER 24 7.056 0.190 -0.375 189 HA SER 24 HA SER 24 6.117 2.871 -0.212 190 HB2 SER 24 2HB SER 24 6.412 2.638 2.214 191 HB3 SER 24 3HB SER 24 5.639 1.205 1.540 192 HG SER 24 HG SER 24 7.312 0.044 2.069 193 H ARG 25 H ARG 25 9.325 1.421 0.054 194 HA ARG 25 HA ARG 25 10.745 3.721 0.877 195 HB2 ARG 25 2HB ARG 25 11.613 1.301 -0.718 196 HB3 ARG 25 3HB ARG 25 12.733 2.539 -0.160 197 HG2 ARG 25 2HG ARG 25 12.290 2.027 2.125 198 HG3 ARG 25 3HG ARG 25 10.939 0.978 1.692 199 HD2 ARG 25 2HD ARG 25 12.928 -0.318 2.301 200 HD3 ARG 25 3HD ARG 25 12.468 -0.584 0.621 201 HE ARG 25 HE ARG 25 14.313 1.333 0.366 202 HH11 ARG 25 1HH1 ARG 25 14.389 -1.508 2.316 203 HH12 ARG 25 2HH1 ARG 25 16.079 -1.763 2.060 204 HH21 ARG 25 1HH2 ARG 25 16.475 1.015 0.091 205 HH22 ARG 25 2HH2 ARG 25 17.244 -0.351 0.821 206 H LYS 26 H LYS 26 9.216 3.023 -2.084 207 HA LYS 26 HA LYS 26 10.875 4.751 -3.720 208 HB2 LYS 26 2HB LYS 26 8.274 3.308 -4.264 209 HB3 LYS 26 3HB LYS 26 9.102 4.299 -5.457 210 HG2 LYS 26 2HG LYS 26 10.331 1.893 -4.117 211 HG3 LYS 26 3HG LYS 26 9.511 1.851 -5.678 212 HD2 LYS 26 2HD LYS 26 11.939 3.538 -5.031 213 HD3 LYS 26 3HD LYS 26 11.966 2.004 -5.905 214 HE2 LYS 26 2HE LYS 26 10.554 2.973 -7.657 215 HE3 LYS 26 3HE LYS 26 10.512 4.504 -6.782 216 HZ1 LYS 26 3HZ LYS 26 12.895 4.695 -7.064 217 HZ2 LYS 26 1HZ LYS 26 12.137 4.531 -8.566 218 HZ3 LYS 26 2HZ LYS 26 12.949 3.216 -7.878 219 H MET 27 H MET 27 8.517 5.365 -1.444 220 HA MET 27 HA MET 27 7.818 7.948 -2.688 221 HB2 MET 27 2HB MET 27 5.846 6.081 -1.339 222 HB3 MET 27 3HB MET 27 5.486 7.714 -1.881 223 HG2 MET 27 2HG MET 27 5.892 7.059 -4.187 224 HG3 MET 27 3HG MET 27 6.311 5.429 -3.663 225 HE1 MET 27 3HE MET 27 4.573 3.763 -2.504 226 HE2 MET 27 1HE MET 27 2.880 4.164 -2.218 227 HE3 MET 27 2HE MET 27 4.147 4.996 -1.316 228 H ASN 28 H ASN 28 6.886 9.510 -1.103 229 HA ASN 28 HA ASN 28 8.271 9.454 1.441 230 HB2 ASN 28 2HB ASN 28 7.866 11.523 -0.008 231 HB3 ASN 28 3HB ASN 28 6.188 11.452 0.513 232 HD21 ASN 28 1HD2 ASN 28 8.202 13.509 0.927 233 HD22 ASN 28 2HD2 ASN 28 8.333 13.717 2.636 234 H LEU 29 H LEU 29 7.279 9.215 3.502 235 HA LEU 29 HA LEU 29 4.557 8.055 3.400 236 HB2 LEU 29 2HB LEU 29 6.904 7.112 5.051 237 HB3 LEU 29 3HB LEU 29 5.275 6.474 5.165 238 HG LEU 29 HG LEU 29 7.079 6.287 2.740 239 HD11 LEU 29 1HD1 LEU 29 7.773 4.854 4.612 240 HD12 LEU 29 2HD1 LEU 29 7.179 3.916 3.243 241 HD13 LEU 29 3HD1 LEU 29 6.157 4.146 4.662 242 HD21 LEU 29 3HD2 LEU 29 5.340 4.834 1.806 243 HD22 LEU 29 1HD2 LEU 29 4.728 6.462 2.095 244 HD23 LEU 29 2HD2 LEU 29 4.313 5.154 3.204 245 H THR 30 H THR 30 3.433 7.972 5.500 246 HA THR 30 HA THR 30 3.625 10.464 6.951 247 HB THR 30 HB THR 30 1.419 9.474 6.500 248 HG1 THR 30 HG1 THR 30 0.777 9.373 8.900 249 HG21 THR 30 3HG2 THR 30 2.269 7.266 8.379 250 HG22 THR 30 1HG2 THR 30 2.033 7.103 6.640 251 HG23 THR 30 2HG2 THR 30 0.662 7.473 7.684 252 H ARG 31 H ARG 31 3.231 10.134 9.500 253 HA ARG 31 HA ARG 31 5.702 8.922 10.462 254 HB2 ARG 31 2HB ARG 31 3.659 10.678 11.847 255 HB3 ARG 31 3HB ARG 31 5.131 10.083 12.602 256 HG2 ARG 31 2HG ARG 31 4.974 11.915 10.209 257 HG3 ARG 31 3HG ARG 31 5.412 12.375 11.856 258 HD2 ARG 31 2HD ARG 31 6.938 10.528 10.014 259 HD3 ARG 31 3HD ARG 31 7.424 12.139 10.544 260 HE ARG 31 HE ARG 31 7.054 10.605 12.827 261 HH11 ARG 31 1HH1 ARG 31 9.149 10.603 10.079 262 HH12 ARG 31 2HH1 ARG 31 10.452 9.873 10.952 263 HH21 ARG 31 1HH2 ARG 31 8.703 9.644 13.903 264 HH22 ARG 31 2HH2 ARG 31 10.202 9.337 13.098 265 H GLY 32 H GLY 32 5.677 6.838 11.043 266 HA2 GLY 32 2HA GLY 32 5.142 4.995 12.356 267 HA3 GLY 32 3HA GLY 32 3.788 5.892 13.026 268 H ILE 33 H ILE 33 4.652 4.837 9.728 269 HA ILE 33 HA ILE 33 1.901 4.002 9.263 270 HB ILE 33 HB ILE 33 3.031 5.266 7.513 271 HG12 ILE 33 2HG1 ILE 33 2.557 2.393 6.659 272 HG13 ILE 33 3HG1 ILE 33 1.301 3.609 6.874 273 HG21 ILE 33 1HG2 ILE 33 5.326 4.577 7.935 274 HG22 ILE 33 2HG2 ILE 33 4.905 4.321 6.242 275 HG23 ILE 33 3HG2 ILE 33 4.965 2.952 7.352 276 HD11 ILE 33 3HD1 ILE 33 3.536 3.730 4.861 277 HD12 ILE 33 1HD1 ILE 33 2.260 4.929 5.067 278 HD13 ILE 33 2HD1 ILE 33 1.858 3.297 4.533 279 H ASN 34 H ASN 34 1.178 1.927 9.189 280 HA ASN 34 HA ASN 34 3.160 -0.207 9.675 281 HB2 ASN 34 2HB ASN 34 1.694 0.191 11.599 282 HB3 ASN 34 3HB ASN 34 0.274 -0.059 10.587 283 HD21 ASN 34 1HD2 ASN 34 -0.441 -1.756 11.850 284 HD22 ASN 34 2HD2 ASN 34 0.325 -3.304 11.842 285 H LEU 35 H LEU 35 3.493 -0.756 7.531 286 HA LEU 35 HA LEU 35 1.458 -1.267 5.627 287 HB2 LEU 35 2HB LEU 35 4.274 -2.367 5.751 288 HB3 LEU 35 3HB LEU 35 3.236 -2.375 4.338 289 HG LEU 35 HG LEU 35 4.256 0.129 5.698 290 HD11 LEU 35 1HD1 LEU 35 6.079 -1.146 4.673 291 HD12 LEU 35 2HD1 LEU 35 5.762 0.347 3.794 292 HD13 LEU 35 3HD1 LEU 35 5.194 -1.193 3.148 293 HD21 LEU 35 3HD2 LEU 35 2.132 0.462 4.542 294 HD22 LEU 35 1HD2 LEU 35 2.800 -0.265 3.078 295 HD23 LEU 35 2HD2 LEU 35 3.446 1.263 3.682 296 H ARG 36 H ARG 36 2.901 -3.205 8.138 297 HA ARG 36 HA ARG 36 2.288 -5.789 7.284 298 HB2 ARG 36 2HB ARG 36 3.646 -5.002 9.311 299 HB3 ARG 36 3HB ARG 36 2.113 -4.871 10.158 300 HG2 ARG 36 2HG ARG 36 1.720 -7.245 9.902 301 HG3 ARG 36 3HG ARG 36 3.175 -7.406 8.915 302 HD2 ARG 36 2HD ARG 36 4.491 -6.553 10.883 303 HD3 ARG 36 3HD ARG 36 3.015 -6.667 11.840 304 HE ARG 36 HE ARG 36 3.183 -9.143 10.914 305 HH11 ARG 36 1HH1 ARG 36 5.624 -7.124 12.282 306 HH12 ARG 36 2HH1 ARG 36 6.554 -8.460 12.851 307 HH21 ARG 36 1HH2 ARG 36 4.408 -10.844 11.651 308 HH22 ARG 36 2HH2 ARG 36 5.879 -10.530 12.507 309 H LYS 37 H LYS 37 0.302 -3.514 9.152 310 HA LYS 37 HA LYS 37 -1.977 -5.109 9.495 311 HB2 LYS 37 2HB LYS 37 -1.595 -3.013 10.709 312 HB3 LYS 37 3HB LYS 37 -1.747 -2.098 9.222 313 HG2 LYS 37 2HG LYS 37 -4.057 -3.788 9.996 314 HG3 LYS 37 3HG LYS 37 -3.730 -2.359 10.976 315 HD2 LYS 37 2HD LYS 37 -3.681 -1.038 8.810 316 HD3 LYS 37 3HD LYS 37 -4.317 -2.481 8.018 317 HE2 LYS 37 2HE LYS 37 -6.272 -2.441 9.462 318 HE3 LYS 37 3HE LYS 37 -5.619 -1.058 10.335 319 HZ1 LYS 37 3HZ LYS 37 -7.260 -0.338 8.751 320 HZ2 LYS 37 1HZ LYS 37 -6.438 -1.096 7.486 321 HZ3 LYS 37 2HZ LYS 37 -5.740 0.225 8.267 322 H ILE 38 H ILE 38 -0.984 -3.047 6.806 323 HA ILE 38 HA ILE 38 -3.357 -3.213 5.277 324 HB ILE 38 HB ILE 38 -0.522 -2.895 4.257 325 HG12 ILE 38 2HG1 ILE 38 -1.017 -1.205 5.959 326 HG13 ILE 38 3HG1 ILE 38 -0.955 -0.460 4.366 327 HG21 ILE 38 1HG2 ILE 38 -2.098 -3.444 2.485 328 HG22 ILE 38 2HG2 ILE 38 -1.564 -1.770 2.341 329 HG23 ILE 38 3HG2 ILE 38 -3.161 -2.132 2.999 330 HD11 ILE 38 3HD1 ILE 38 -3.389 -0.409 4.286 331 HD12 ILE 38 1HD1 ILE 38 -2.776 0.430 5.712 332 HD13 ILE 38 2HD1 ILE 38 -3.464 -1.188 5.868 333 H ALA 39 H ALA 39 -0.388 -5.177 5.249 334 HA ALA 39 HA ALA 39 -1.098 -6.923 3.157 335 HB1 ALA 39 3HB ALA 39 1.186 -6.712 3.974 336 HB2 ALA 39 1HB ALA 39 0.660 -8.394 4.028 337 HB3 ALA 39 2HB ALA 39 0.721 -7.440 5.510 338 H GLU 40 H GLU 40 -1.821 -7.048 6.611 339 HA GLU 40 HA GLU 40 -2.811 -9.681 6.736 340 HB2 GLU 40 2HB GLU 40 -3.577 -7.258 8.381 341 HB3 GLU 40 3HB GLU 40 -4.012 -8.916 8.779 342 HG2 GLU 40 2HG GLU 40 -1.620 -9.478 8.955 343 HG3 GLU 40 3HG GLU 40 -1.218 -7.796 8.615 344 H LEU 41 H LEU 41 -4.312 -6.703 5.652 345 HA LEU 41 HA LEU 41 -6.988 -7.821 5.557 346 HB2 LEU 41 2HB LEU 41 -5.918 -5.225 4.432 347 HB3 LEU 41 3HB LEU 41 -7.612 -5.659 4.576 348 HG LEU 41 HG LEU 41 -5.705 -5.218 6.885 349 HD11 LEU 41 1HD1 LEU 41 -6.270 -3.143 5.743 350 HD12 LEU 41 2HD1 LEU 41 -7.038 -3.216 7.328 351 HD13 LEU 41 3HD1 LEU 41 -7.988 -3.521 5.874 352 HD21 LEU 41 3HD2 LEU 41 -8.667 -5.819 6.888 353 HD22 LEU 41 1HD2 LEU 41 -7.703 -5.387 8.301 354 HD23 LEU 41 2HD2 LEU 41 -7.382 -6.893 7.441 355 H MET 42 H MET 42 -4.450 -8.566 3.768 356 HA MET 42 HA MET 42 -5.895 -8.616 1.188 357 HB2 MET 42 2HB MET 42 -2.912 -8.737 1.724 358 HB3 MET 42 3HB MET 42 -3.662 -8.784 0.134 359 HG2 MET 42 2HG MET 42 -4.088 -6.475 2.006 360 HG3 MET 42 3HG MET 42 -2.686 -6.559 0.941 361 HE1 MET 42 3HE MET 42 -3.593 -7.728 -1.722 362 HE2 MET 42 1HE MET 42 -2.708 -6.210 -1.579 363 HE3 MET 42 2HE MET 42 -4.152 -6.301 -2.588 364 HA PRO 43 HA PRO 43 -5.768 -13.038 2.673 365 HB2 PRO 43 2HB PRO 43 -8.134 -13.237 0.899 366 HB3 PRO 43 3HB PRO 43 -7.931 -13.757 2.574 367 HG2 PRO 43 2HG PRO 43 -9.393 -11.601 1.953 368 HG3 PRO 43 3HG PRO 43 -8.406 -11.659 3.426 369 HD2 PRO 43 2HD PRO 43 -7.849 -10.271 0.825 370 HD3 PRO 43 3HD PRO 43 -7.547 -9.720 2.484 371 H GLY 44 H GLY 44 -7.240 -12.960 -0.594 372 HA2 GLY 44 2HA GLY 44 -5.147 -14.808 -1.490 373 HA3 GLY 44 3HA GLY 44 -6.656 -14.462 -2.319 374 H ALA 45 H ALA 45 -3.715 -12.698 -1.317 375 HA ALA 45 HA ALA 45 -3.760 -11.337 -3.939 376 HB1 ALA 45 3HB ALA 45 -3.097 -10.084 -1.279 377 HB2 ALA 45 1HB ALA 45 -4.587 -9.851 -2.192 378 HB3 ALA 45 2HB ALA 45 -3.053 -9.279 -2.847 379 H SER 46 H SER 46 -2.008 -11.798 -5.087 380 HA SER 46 HA SER 46 0.527 -12.486 -3.790 381 HB2 SER 46 2HB SER 46 -0.217 -12.538 -6.732 382 HB3 SER 46 3HB SER 46 1.262 -13.187 -6.024 383 HG SER 46 HG SER 46 -1.404 -14.090 -5.596 384 H GLY 47 H GLY 47 2.414 -11.638 -5.575 385 HA2 GLY 47 2HA GLY 47 2.923 -9.032 -4.711 386 HA3 GLY 47 3HA GLY 47 3.765 -9.839 -6.016 387 H ALA 48 H ALA 48 1.352 -10.068 -7.704 388 HA ALA 48 HA ALA 48 1.689 -7.656 -9.147 389 HB1 ALA 48 3HB ALA 48 1.121 -9.780 -10.219 390 HB2 ALA 48 1HB ALA 48 -0.037 -8.517 -10.645 391 HB3 ALA 48 2HB ALA 48 -0.467 -9.747 -9.454 392 H GLU 49 H GLU 49 -1.063 -8.825 -7.199 393 HA GLU 49 HA GLU 49 -2.529 -6.370 -7.597 394 HB2 GLU 49 2HB GLU 49 -4.105 -7.419 -5.838 395 HB3 GLU 49 3HB GLU 49 -3.993 -8.164 -7.421 396 HG2 GLU 49 2HG GLU 49 -2.270 -9.182 -5.204 397 HG3 GLU 49 3HG GLU 49 -3.979 -9.613 -5.249 398 H VAL 50 H VAL 50 -0.472 -7.709 -5.064 399 HA VAL 50 HA VAL 50 -0.959 -5.717 -3.109 400 HB VAL 50 HB VAL 50 1.552 -7.321 -3.665 401 HG11 VAL 50 1HG1 VAL 50 0.927 -5.582 -1.269 402 HG12 VAL 50 2HG1 VAL 50 2.165 -5.270 -2.487 403 HG13 VAL 50 3HG1 VAL 50 2.311 -6.666 -1.420 404 HG21 VAL 50 3HG2 VAL 50 0.848 -8.679 -1.773 405 HG22 VAL 50 1HG2 VAL 50 -0.433 -8.623 -2.983 406 HG23 VAL 50 2HG2 VAL 50 -0.559 -7.644 -1.521 407 H LYS 51 H LYS 51 1.364 -5.855 -5.806 408 HA LYS 51 HA LYS 51 2.461 -3.278 -5.518 409 HB2 LYS 51 2HB LYS 51 3.468 -4.888 -7.017 410 HB3 LYS 51 3HB LYS 51 2.003 -4.969 -7.986 411 HG2 LYS 51 2HG LYS 51 2.329 -2.665 -8.713 412 HG3 LYS 51 3HG LYS 51 3.766 -2.533 -7.698 413 HD2 LYS 51 2HD LYS 51 4.348 -2.933 -10.052 414 HD3 LYS 51 3HD LYS 51 4.883 -4.254 -9.016 415 HE2 LYS 51 2HE LYS 51 2.899 -5.558 -9.689 416 HE3 LYS 51 3HE LYS 51 2.404 -4.237 -10.746 417 HZ1 LYS 51 3HZ LYS 51 4.979 -5.679 -10.999 418 HZ2 LYS 51 1HZ LYS 51 4.332 -4.549 -12.076 419 HZ3 LYS 51 2HZ LYS 51 3.598 -6.060 -11.887 420 H GLY 52 H GLY 52 -0.493 -4.420 -7.076 421 HA2 GLY 52 2HA GLY 52 -1.399 -2.058 -8.262 422 HA3 GLY 52 3HA GLY 52 -2.438 -3.319 -7.612 423 H VAL 53 H VAL 53 -2.160 -3.268 -4.984 424 HA VAL 53 HA VAL 53 -3.500 -1.039 -3.997 425 HB VAL 53 HB VAL 53 -1.718 -3.023 -2.564 426 HG11 VAL 53 1HG1 VAL 53 -1.863 -0.958 -1.231 427 HG12 VAL 53 2HG1 VAL 53 -2.722 -2.292 -0.464 428 HG13 VAL 53 3HG1 VAL 53 -3.622 -1.037 -1.312 429 HG21 VAL 53 3HG2 VAL 53 -3.683 -3.995 -3.609 430 HG22 VAL 53 1HG2 VAL 53 -4.720 -2.801 -2.828 431 HG23 VAL 53 2HG2 VAL 53 -3.869 -4.001 -1.855 432 H CYS 54 H CYS 54 0.004 -1.692 -4.000 433 HA CYS 54 HA CYS 54 0.887 0.593 -2.655 434 HB2 CYS 54 2HB CYS 54 2.239 -0.864 -4.944 435 HB3 CYS 54 3HB CYS 54 3.029 0.284 -3.870 436 HG CYS 54 HG CYS 54 1.572 -2.549 -2.643 437 H THR 55 H THR 55 0.082 0.151 -6.073 438 HA THR 55 HA THR 55 0.910 2.781 -6.872 439 HB THR 55 HB THR 55 -0.890 0.824 -8.329 440 HG1 THR 55 HG1 THR 55 1.056 -0.164 -8.201 441 HG21 THR 55 3HG2 THR 55 0.620 3.247 -9.336 442 HG22 THR 55 1HG2 THR 55 -1.132 3.104 -9.189 443 HG23 THR 55 2HG2 THR 55 -0.258 2.097 -10.344 444 H GLU 56 H GLU 56 -2.270 1.279 -6.261 445 HA GLU 56 HA GLU 56 -3.886 3.481 -6.849 446 HB2 GLU 56 2HB GLU 56 -4.341 1.321 -4.773 447 HB3 GLU 56 3HB GLU 56 -5.575 2.412 -5.384 448 HG2 GLU 56 2HG GLU 56 -4.071 0.353 -6.993 449 HG3 GLU 56 3HG GLU 56 -5.733 0.218 -6.426 450 H ALA 57 H ALA 57 -2.274 2.590 -3.805 451 HA ALA 57 HA ALA 57 -3.174 4.629 -2.149 452 HB1 ALA 57 3HB ALA 57 -0.388 3.464 -2.267 453 HB2 ALA 57 1HB ALA 57 -1.752 2.794 -1.373 454 HB3 ALA 57 2HB ALA 57 -1.076 4.357 -0.910 455 H GLY 58 H GLY 58 -0.415 4.687 -4.411 456 HA2 GLY 58 2HA GLY 58 0.328 7.376 -4.040 457 HA3 GLY 58 3HA GLY 58 0.627 6.432 -5.491 458 H MET 59 H MET 59 -2.050 5.916 -6.236 459 HA MET 59 HA MET 59 -2.789 8.185 -7.693 460 HB2 MET 59 2HB MET 59 -4.503 5.849 -6.804 461 HB3 MET 59 3HB MET 59 -4.975 7.022 -8.024 462 HG2 MET 59 2HG MET 59 -2.417 5.563 -8.420 463 HG3 MET 59 3HG MET 59 -3.921 4.674 -8.641 464 HE1 MET 59 3HE MET 59 -1.639 7.590 -9.933 465 HE2 MET 59 1HE MET 59 -3.077 8.504 -9.479 466 HE3 MET 59 2HE MET 59 -2.644 8.332 -11.179 467 H TYR 60 H TYR 60 -3.968 7.013 -4.553 468 HA TYR 60 HA TYR 60 -5.963 9.025 -4.244 469 HB2 TYR 60 2HB TYR 60 -4.620 7.377 -2.087 470 HB3 TYR 60 3HB TYR 60 -6.139 8.260 -1.936 471 HD1 TYR 60 HD2 TYR 60 -7.301 7.543 -4.648 472 HD2 TYR 60 HD1 TYR 60 -5.401 5.165 -1.669 473 HE1 TYR 60 HE2 TYR 60 -8.520 5.568 -5.452 474 HE2 TYR 60 HE1 TYR 60 -6.617 3.190 -2.471 475 HH TYR 60 HH TYR 60 -8.186 3.064 -5.417 476 H ALA 61 H ALA 61 -2.641 8.715 -3.015 477 HA ALA 61 HA ALA 61 -2.488 11.130 -1.628 478 HB1 ALA 61 3HB ALA 61 -0.744 9.406 -1.557 479 HB2 ALA 61 1HB ALA 61 -0.071 10.988 -1.948 480 HB3 ALA 61 2HB ALA 61 -0.297 9.788 -3.219 481 H LEU 62 H LEU 62 -2.004 10.487 -5.093 482 HA LEU 62 HA LEU 62 -1.237 13.106 -5.829 483 HB2 LEU 62 2HB LEU 62 -2.563 10.929 -7.451 484 HB3 LEU 62 3HB LEU 62 -1.923 12.410 -8.136 485 HG LEU 62 HG LEU 62 -0.306 10.285 -6.713 486 HD11 LEU 62 1HD1 LEU 62 -0.407 11.033 -9.635 487 HD12 LEU 62 2HD1 LEU 62 -1.101 9.580 -8.917 488 HD13 LEU 62 3HD1 LEU 62 0.644 9.821 -8.902 489 HD21 LEU 62 3HD2 LEU 62 0.650 12.480 -6.337 490 HD22 LEU 62 1HD2 LEU 62 0.569 12.840 -8.063 491 HD23 LEU 62 2HD2 LEU 62 1.648 11.574 -7.474 492 H ARG 63 H ARG 63 -4.456 11.527 -6.001 493 HA ARG 63 HA ARG 63 -5.826 13.763 -7.035 494 HB2 ARG 63 2HB ARG 63 -7.881 12.642 -6.394 495 HB3 ARG 63 3HB ARG 63 -6.747 11.445 -7.012 496 HG2 ARG 63 2HG ARG 63 -6.240 10.673 -4.828 497 HG3 ARG 63 3HG ARG 63 -7.098 12.013 -4.082 498 HD2 ARG 63 2HD ARG 63 -9.198 11.075 -5.199 499 HD3 ARG 63 3HD ARG 63 -8.239 9.623 -5.512 500 HE ARG 63 HE ARG 63 -7.863 10.075 -2.864 501 HH11 ARG 63 1HH1 ARG 63 -10.666 9.666 -4.827 502 HH12 ARG 63 2HH1 ARG 63 -11.638 9.145 -3.497 503 HH21 ARG 63 1HH2 ARG 63 -9.105 9.406 -1.194 504 HH22 ARG 63 2HH2 ARG 63 -10.768 9.007 -1.463 505 H GLU 64 H GLU 64 -5.176 12.799 -3.667 506 HA GLU 64 HA GLU 64 -6.669 15.129 -2.686 507 HB2 GLU 64 2HB GLU 64 -5.492 12.792 -1.152 508 HB3 GLU 64 3HB GLU 64 -6.478 14.078 -0.459 509 HG2 GLU 64 2HG GLU 64 -8.341 13.409 -1.937 510 HG3 GLU 64 3HG GLU 64 -7.350 12.101 -2.557 511 H ARG 65 H ARG 65 -3.793 14.921 -3.895 512 HA ARG 65 HA ARG 65 -2.012 16.320 -3.883 513 HB2 ARG 65 2HB ARG 65 -3.616 17.885 -1.852 514 HB3 ARG 65 3HB ARG 65 -2.236 18.490 -2.759 515 HG2 ARG 65 2HG ARG 65 -4.870 17.607 -3.941 516 HG3 ARG 65 3HG ARG 65 -4.352 19.276 -3.696 517 HD2 ARG 65 2HD ARG 65 -2.470 18.909 -5.235 518 HD3 ARG 65 3HD ARG 65 -2.999 17.244 -5.480 519 HE ARG 65 HE ARG 65 -5.140 18.346 -6.335 520 HH11 ARG 65 1HH1 ARG 65 -2.003 19.722 -6.660 521 HH12 ARG 65 2HH1 ARG 65 -2.413 20.596 -8.097 522 HH21 ARG 65 1HH2 ARG 65 -5.658 19.472 -8.197 523 HH22 ARG 65 2HH2 ARG 65 -4.448 20.449 -8.957 524 H ARG 66 H ARG 66 -2.207 14.125 -1.798 525 HA ARG 66 HA ARG 66 -0.658 15.083 0.438 526 HB2 ARG 66 2HB ARG 66 -1.279 12.253 -0.430 527 HB3 ARG 66 3HB ARG 66 -0.565 12.714 1.110 528 HG2 ARG 66 2HG ARG 66 -2.591 13.906 1.720 529 HG3 ARG 66 3HG ARG 66 -3.302 13.529 0.148 530 HD2 ARG 66 2HD ARG 66 -3.142 11.114 0.694 531 HD3 ARG 66 3HD ARG 66 -2.527 11.544 2.294 532 HE ARG 66 HE ARG 66 -4.698 12.719 2.617 533 HH11 ARG 66 1HH1 ARG 66 -4.448 10.053 0.440 534 HH12 ARG 66 2HH1 ARG 66 -6.156 9.784 0.439 535 HH21 ARG 66 1HH2 ARG 66 -6.856 12.300 2.655 536 HH22 ARG 66 2HH2 ARG 66 -7.497 11.031 1.673 537 H VAL 67 H VAL 67 1.449 15.578 0.234 538 HA VAL 67 HA VAL 67 3.195 14.531 -1.760 539 HB VAL 67 HB VAL 67 3.919 15.844 0.878 540 HG11 VAL 67 1HG1 VAL 67 5.552 15.459 -1.637 541 HG12 VAL 67 2HG1 VAL 67 5.808 14.654 -0.088 542 HG13 VAL 67 3HG1 VAL 67 6.049 16.395 -0.225 543 HG21 VAL 67 3HG2 VAL 67 2.461 17.274 -0.457 544 HG22 VAL 67 1HG2 VAL 67 3.522 17.078 -1.854 545 HG23 VAL 67 2HG2 VAL 67 4.102 17.923 -0.418 546 H HIS 68 H HIS 68 2.552 13.710 1.613 547 HA HIS 68 HA HIS 68 4.276 11.327 1.378 548 HB2 HIS 68 2HB HIS 68 4.171 11.239 3.864 549 HB3 HIS 68 3HB HIS 68 4.882 12.731 3.262 550 HD1 HIS 68 HD1 HIS 68 3.596 14.919 3.707 551 HD2 HIS 68 HD2 HIS 68 1.693 11.529 5.177 552 HE1 HIS 68 HE1 HIS 68 1.788 15.764 5.221 553 HE2 HIS 68 HE2 HIS 68 0.525 13.714 5.923 554 H VAL 69 H VAL 69 3.303 9.438 1.039 555 HA VAL 69 HA VAL 69 0.480 9.093 1.099 556 HB VAL 69 HB VAL 69 2.594 6.921 1.008 557 HG11 VAL 69 1HG1 VAL 69 -0.278 6.923 0.068 558 HG12 VAL 69 2HG1 VAL 69 0.347 6.098 1.497 559 HG13 VAL 69 3HG1 VAL 69 0.872 5.595 -0.109 560 HG21 VAL 69 3HG2 VAL 69 3.006 8.567 -0.750 561 HG22 VAL 69 1HG2 VAL 69 1.328 8.441 -1.284 562 HG23 VAL 69 2HG2 VAL 69 2.412 7.057 -1.441 563 H THR 70 H THR 70 -0.854 8.230 2.647 564 HA THR 70 HA THR 70 0.394 7.729 5.279 565 HB THR 70 HB THR 70 -1.588 8.440 6.351 566 HG1 THR 70 HG1 THR 70 -2.911 8.521 3.818 567 HG21 THR 70 3HG2 THR 70 -0.299 10.307 5.433 568 HG22 THR 70 1HG2 THR 70 -2.023 10.680 5.432 569 HG23 THR 70 2HG2 THR 70 -1.220 10.220 3.931 570 H GLN 71 H GLN 71 -1.095 6.321 6.724 571 HA GLN 71 HA GLN 71 -1.175 3.686 5.789 572 HB2 GLN 71 2HB GLN 71 -1.083 4.319 8.171 573 HB3 GLN 71 3HB GLN 71 -2.714 4.959 8.069 574 HG2 GLN 71 2HG GLN 71 -2.916 2.869 9.106 575 HG3 GLN 71 3HG GLN 71 -3.465 2.626 7.451 576 HE21 GLN 71 1HE2 GLN 71 -2.436 0.707 9.406 577 HE22 GLN 71 2HE2 GLN 71 -1.089 -0.060 8.644 578 H GLU 72 H GLU 72 -3.600 6.223 5.741 579 HA GLU 72 HA GLU 72 -5.887 4.609 5.325 580 HB2 GLU 72 2HB GLU 72 -5.398 7.511 4.633 581 HB3 GLU 72 3HB GLU 72 -6.973 6.726 4.604 582 HG2 GLU 72 2HG GLU 72 -6.794 6.277 7.007 583 HG3 GLU 72 3HG GLU 72 -5.217 7.068 7.034 584 H ASP 73 H ASP 73 -3.712 6.261 3.040 585 HA ASP 73 HA ASP 73 -5.138 5.839 0.682 586 HB2 ASP 73 2HB ASP 73 -2.129 5.861 1.053 587 HB3 ASP 73 3HB ASP 73 -2.975 6.092 -0.476 588 H PHE 74 H PHE 74 -2.754 3.718 2.260 589 HA PHE 74 HA PHE 74 -2.748 1.702 0.284 590 HB2 PHE 74 2HB PHE 74 -2.008 1.659 3.207 591 HB3 PHE 74 3HB PHE 74 -1.851 0.242 2.179 592 HD1 PHE 74 HD2 PHE 74 -0.275 0.263 0.268 593 HD2 PHE 74 HD1 PHE 74 -0.423 3.441 3.101 594 HE1 PHE 74 HE2 PHE 74 1.944 1.024 -0.473 595 HE2 PHE 74 HE1 PHE 74 1.795 4.206 2.360 596 HZ PHE 74 HZ PHE 74 2.982 2.995 0.573 597 H GLU 75 H GLU 75 -4.520 1.776 3.420 598 HA GLU 75 HA GLU 75 -5.782 -0.724 2.964 599 HB2 GLU 75 2HB GLU 75 -7.269 -0.103 4.861 600 HB3 GLU 75 3HB GLU 75 -5.555 0.042 5.213 601 HG2 GLU 75 2HG GLU 75 -5.701 2.472 4.876 602 HG3 GLU 75 3HG GLU 75 -7.433 2.313 4.574 603 H MET 76 H MET 76 -6.784 2.574 2.172 604 HA MET 76 HA MET 76 -9.410 1.924 1.313 605 HB2 MET 76 2HB MET 76 -7.530 4.154 0.513 606 HB3 MET 76 3HB MET 76 -9.168 4.018 -0.116 607 HG2 MET 76 2HG MET 76 -8.410 4.322 2.786 608 HG3 MET 76 3HG MET 76 -9.051 5.589 1.739 609 HE1 MET 76 3HE MET 76 -11.227 3.903 0.046 610 HE2 MET 76 1HE MET 76 -11.517 5.520 0.685 611 HE3 MET 76 2HE MET 76 -12.677 4.229 0.999 612 H ALA 77 H ALA 77 -6.275 1.889 -0.313 613 HA ALA 77 HA ALA 77 -7.152 1.172 -2.894 614 HB1 ALA 77 3HB ALA 77 -4.890 1.945 -2.468 615 HB2 ALA 77 1HB ALA 77 -4.856 0.354 -3.230 616 HB3 ALA 77 2HB ALA 77 -4.559 0.510 -1.498 617 H VAL 78 H VAL 78 -6.252 -0.843 -0.098 618 HA VAL 78 HA VAL 78 -6.670 -3.376 -1.226 619 HB VAL 78 HB VAL 78 -7.242 -2.506 1.624 620 HG11 VAL 78 1HG1 VAL 78 -8.305 -4.641 1.122 621 HG12 VAL 78 2HG1 VAL 78 -6.934 -4.878 2.206 622 HG13 VAL 78 3HG1 VAL 78 -6.782 -5.275 0.495 623 HG21 VAL 78 3HG2 VAL 78 -4.989 -3.329 2.125 624 HG22 VAL 78 1HG2 VAL 78 -4.946 -2.016 0.950 625 HG23 VAL 78 2HG2 VAL 78 -4.732 -3.682 0.417 626 H ALA 79 H ALA 79 -8.970 -1.233 0.452 627 HA ALA 79 HA ALA 79 -11.265 -2.844 0.172 628 HB1 ALA 79 3HB ALA 79 -12.535 -0.823 0.675 629 HB2 ALA 79 1HB ALA 79 -11.108 0.166 0.365 630 HB3 ALA 79 2HB ALA 79 -11.126 -0.953 1.727 631 H LYS 80 H LYS 80 -9.617 -0.831 -2.112 632 HA LYS 80 HA LYS 80 -11.841 -0.646 -3.960 633 HB2 LYS 80 2HB LYS 80 -10.152 1.146 -3.780 634 HB3 LYS 80 3HB LYS 80 -8.912 0.028 -4.327 635 HG2 LYS 80 2HG LYS 80 -9.421 1.295 -6.217 636 HG3 LYS 80 3HG LYS 80 -10.303 -0.209 -6.464 637 HD2 LYS 80 2HD LYS 80 -11.606 2.221 -5.239 638 HD3 LYS 80 3HD LYS 80 -11.521 1.994 -6.984 639 HE2 LYS 80 2HE LYS 80 -12.754 -0.102 -6.781 640 HE3 LYS 80 3HE LYS 80 -12.798 0.076 -5.029 641 HZ1 LYS 80 3HZ LYS 80 -14.111 2.079 -5.289 642 HZ2 LYS 80 1HZ LYS 80 -14.870 0.773 -6.053 643 HZ3 LYS 80 2HZ LYS 80 -14.053 1.931 -6.974 644 H VAL 81 H VAL 81 -8.748 -2.418 -3.830 645 HA VAL 81 HA VAL 81 -9.195 -3.778 -6.330 646 HB VAL 81 HB VAL 81 -7.146 -4.343 -4.166 647 HG11 VAL 81 1HG1 VAL 81 -7.227 -5.252 -7.051 648 HG12 VAL 81 2HG1 VAL 81 -7.470 -6.273 -5.634 649 HG13 VAL 81 3HG1 VAL 81 -5.900 -5.525 -5.920 650 HG21 VAL 81 3HG2 VAL 81 -6.901 -2.713 -6.701 651 HG22 VAL 81 1HG2 VAL 81 -5.593 -3.074 -5.573 652 HG23 VAL 81 2HG2 VAL 81 -6.952 -2.074 -5.056 653 H MET 82 H MET 82 -9.047 -4.921 -2.937 654 HA MET 82 HA MET 82 -10.071 -7.528 -3.673 655 HB2 MET 82 2HB MET 82 -9.487 -6.340 -0.948 656 HB3 MET 82 3HB MET 82 -9.896 -8.023 -1.254 657 HG2 MET 82 2HG MET 82 -7.448 -6.580 -2.263 658 HG3 MET 82 3HG MET 82 -7.504 -7.755 -0.949 659 HE1 MET 82 3HE MET 82 -8.397 -11.069 -2.820 660 HE2 MET 82 1HE MET 82 -9.519 -9.951 -2.043 661 HE3 MET 82 2HE MET 82 -7.981 -10.336 -1.269 662 H GLN 83 H GLN 83 -11.384 -4.542 -2.529 663 HA GLN 83 HA GLN 83 -13.487 -3.808 -2.111 664 HB2 GLN 83 2HB GLN 83 -14.210 -6.332 -3.605 665 HB3 GLN 83 3HB GLN 83 -15.378 -5.096 -3.152 666 HG2 GLN 83 2HG GLN 83 -14.163 -3.454 -4.508 667 HG3 GLN 83 3HG GLN 83 -12.998 -4.697 -4.962 668 HE21 GLN 83 1HE2 GLN 83 -14.827 -3.084 -6.600 669 HE22 GLN 83 2HE2 GLN 83 -15.777 -4.218 -7.493 670 H LYS 84 H LYS 84 -12.184 -6.077 -0.339 671 HA LYS 84 HA LYS 84 -14.502 -7.221 0.926 672 HB2 LYS 84 2HB LYS 84 -11.561 -7.370 1.562 673 HB3 LYS 84 3HB LYS 84 -12.788 -8.103 2.588 674 HG2 LYS 84 2HG LYS 84 -13.569 -9.399 0.587 675 HG3 LYS 84 3HG LYS 84 -12.169 -8.774 -0.286 676 HD2 LYS 84 2HD LYS 84 -11.794 -11.040 0.643 677 HD3 LYS 84 3HD LYS 84 -10.662 -9.844 1.277 678 HE2 LYS 84 2HE LYS 84 -11.511 -11.365 3.028 679 HE3 LYS 84 3HE LYS 84 -11.933 -9.682 3.340 680 HZ1 LYS 84 3HZ LYS 84 -13.744 -11.718 2.160 681 HZ2 LYS 84 1HZ LYS 84 -14.153 -10.115 2.497 682 HZ3 LYS 84 2HZ LYS 84 -13.791 -11.171 3.761 683 H ASP 85 H ASP 85 -15.424 -5.014 1.335 684 HA ASP 85 HA ASP 85 -14.596 -3.665 3.721 685 HB2 ASP 85 2HB ASP 85 -16.079 -2.609 2.044 686 HB3 ASP 85 3HB ASP 85 -17.324 -3.805 2.391 687 H SER 86 H SER 86 -16.507 -6.452 2.939 688 HA SER 86 HA SER 86 -16.435 -7.310 5.736 689 HB2 SER 86 2HB SER 86 -18.957 -7.353 4.040 690 HB3 SER 86 3HB SER 86 -18.779 -8.168 5.593 691 HG SER 86 HG SER 86 -18.318 -5.393 5.298 Start of MODEL 7 1 H1 MET 1 1H MET 1 21.978 -18.862 1.045 2 H2 MET 1 2H MET 1 21.755 -18.436 2.663 3 H3 MET 1 3H MET 1 20.432 -18.917 1.725 4 HA MET 1 HA MET 1 21.373 -21.133 1.493 5 HB2 MET 1 2HB MET 1 23.486 -20.059 3.379 6 HB3 MET 1 3HB MET 1 23.302 -21.753 2.946 7 HG2 MET 1 2HG MET 1 23.732 -21.150 0.581 8 HG3 MET 1 3HG MET 1 24.022 -19.488 1.093 9 HE1 MET 1 3HE MET 1 24.996 -22.869 2.874 10 HE2 MET 1 1HE MET 1 26.647 -23.091 2.296 11 HE3 MET 1 2HE MET 1 25.297 -23.193 1.168 12 H GLY 2 H GLY 2 19.229 -19.954 2.819 13 HA2 GLY 2 2HA GLY 2 19.249 -20.681 5.615 14 HA3 GLY 2 3HA GLY 2 17.871 -20.110 4.690 15 H HIS 3 H HIS 3 17.639 -22.151 6.556 16 HA HIS 3 HA HIS 3 17.554 -24.676 5.071 17 HB2 HIS 3 2HB HIS 3 16.863 -24.078 7.962 18 HB3 HIS 3 3HB HIS 3 16.944 -25.681 7.237 19 HD1 HIS 3 HD1 HIS 3 19.220 -26.759 7.042 20 HD2 HIS 3 HD2 HIS 3 19.401 -22.811 8.318 21 HE1 HIS 3 HE1 HIS 3 21.591 -26.400 7.780 22 HE2 HIS 3 HE2 HIS 3 21.634 -24.056 8.692 23 H HIS 4 H HIS 4 15.479 -22.104 6.018 24 HA HIS 4 HA HIS 4 13.044 -23.647 6.046 25 HB2 HIS 4 2HB HIS 4 13.639 -20.703 6.261 26 HB3 HIS 4 3HB HIS 4 11.989 -21.310 6.167 27 HD1 HIS 4 HD1 HIS 4 11.013 -21.337 8.422 28 HD2 HIS 4 HD2 HIS 4 15.020 -22.433 8.484 29 HE1 HIS 4 HE1 HIS 4 11.520 -21.892 10.815 30 HE2 HIS 4 HE2 HIS 4 13.969 -22.470 10.848 31 H HIS 5 H HIS 5 12.182 -24.416 4.260 32 HA HIS 5 HA HIS 5 12.506 -23.140 1.685 33 HB2 HIS 5 2HB HIS 5 10.919 -25.572 2.545 34 HB3 HIS 5 3HB HIS 5 11.068 -25.023 0.878 35 HD1 HIS 5 HD1 HIS 5 13.205 -26.366 3.703 36 HD2 HIS 5 HD2 HIS 5 13.347 -25.842 -0.416 37 HE1 HIS 5 HE1 HIS 5 15.274 -27.560 2.949 38 HE2 HIS 5 HE2 HIS 5 15.418 -27.108 0.476 39 H HIS 6 H HIS 6 10.566 -22.659 0.300 40 HA HIS 6 HA HIS 6 8.283 -21.616 1.802 41 HB2 HIS 6 2HB HIS 6 8.704 -19.345 0.569 42 HB3 HIS 6 3HB HIS 6 9.589 -19.709 2.047 43 HD1 HIS 6 HD1 HIS 6 12.111 -20.052 1.869 44 HD2 HIS 6 HD2 HIS 6 10.280 -19.376 -1.800 45 HE1 HIS 6 HE1 HIS 6 13.982 -19.689 0.242 46 HE2 HIS 6 HE2 HIS 6 12.857 -19.483 -1.993 47 H HIS 7 H HIS 7 6.541 -20.824 0.451 48 HA HIS 7 HA HIS 7 6.432 -22.277 -2.098 49 HB2 HIS 7 2HB HIS 7 4.212 -21.098 -0.408 50 HB3 HIS 7 3HB HIS 7 3.974 -21.984 -1.910 51 HD1 HIS 7 HD1 HIS 7 4.511 -24.567 -1.844 52 HD2 HIS 7 HD2 HIS 7 4.560 -22.660 1.849 53 HE1 HIS 7 HE1 HIS 7 4.439 -26.402 -0.138 54 HE2 HIS 7 HE2 HIS 7 4.225 -25.217 2.065 55 H HIS 8 H HIS 8 5.910 -21.308 -4.035 56 HA HIS 8 HA HIS 8 6.093 -18.390 -4.167 57 HB2 HIS 8 2HB HIS 8 6.062 -20.523 -6.316 58 HB3 HIS 8 3HB HIS 8 6.125 -18.798 -6.658 59 HD1 HIS 8 HD1 HIS 8 8.238 -21.672 -5.749 60 HD2 HIS 8 HD2 HIS 8 8.568 -17.531 -5.810 61 HE1 HIS 8 HE1 HIS 8 10.693 -21.189 -5.598 62 HE2 HIS 8 HE2 HIS 8 10.869 -18.699 -5.871 63 H SER 9 H SER 9 3.701 -20.856 -4.263 64 HA SER 9 HA SER 9 1.679 -19.458 -5.714 65 HB2 SER 9 2HB SER 9 1.335 -21.648 -3.645 66 HB3 SER 9 3HB SER 9 0.152 -21.162 -4.857 67 HG SER 9 HG SER 9 1.617 -23.075 -5.254 68 H HIS 10 H HIS 10 2.416 -19.794 -2.262 69 HA HIS 10 HA HIS 10 0.652 -17.501 -1.695 70 HB2 HIS 10 2HB HIS 10 -0.518 -19.506 -0.938 71 HB3 HIS 10 3HB HIS 10 0.904 -20.034 -0.043 72 HD1 HIS 10 HD1 HIS 10 1.286 -19.025 2.261 73 HD2 HIS 10 HD2 HIS 10 -1.922 -17.318 0.248 74 HE1 HIS 10 HE1 HIS 10 0.114 -17.596 3.957 75 HE2 HIS 10 HE2 HIS 10 -1.702 -16.435 2.671 76 HA PRO 11 HA PRO 11 4.527 -16.251 0.273 77 HB2 PRO 11 2HB PRO 11 3.994 -13.630 0.467 78 HB3 PRO 11 3HB PRO 11 4.365 -14.384 -1.089 79 HG2 PRO 11 2HG PRO 11 1.702 -13.626 0.058 80 HG3 PRO 11 3HG PRO 11 2.307 -13.418 -1.595 81 HD2 PRO 11 2HD PRO 11 0.657 -15.484 -0.797 82 HD3 PRO 11 3HD PRO 11 1.747 -15.560 -2.195 83 H ASN 12 H ASN 12 5.098 -16.104 2.396 84 HA ASN 12 HA ASN 12 3.172 -16.172 4.496 85 HB2 ASN 12 2HB ASN 12 5.402 -17.236 4.654 86 HB3 ASN 12 3HB ASN 12 6.160 -15.648 4.618 87 HD21 ASN 12 1HD2 ASN 12 4.290 -17.885 6.509 88 HD22 ASN 12 2HD2 ASN 12 4.527 -17.094 8.028 89 H GLU 13 H GLU 13 3.264 -14.536 6.387 90 HA GLU 13 HA GLU 13 2.333 -12.064 5.629 91 HB2 GLU 13 2HB GLU 13 2.133 -12.960 7.920 92 HB3 GLU 13 3HB GLU 13 3.847 -12.656 8.182 93 HG2 GLU 13 2HG GLU 13 2.892 -10.797 9.152 94 HG3 GLU 13 3HG GLU 13 3.254 -10.207 7.549 95 H GLU 14 H GLU 14 5.631 -12.620 6.923 96 HA GLU 14 HA GLU 14 6.614 -10.058 6.385 97 HB2 GLU 14 2HB GLU 14 7.854 -12.712 6.926 98 HB3 GLU 14 3HB GLU 14 8.895 -11.461 6.260 99 HG2 GLU 14 2HG GLU 14 7.198 -11.030 8.710 100 HG3 GLU 14 3HG GLU 14 8.836 -11.676 8.783 101 H ALA 15 H ALA 15 6.228 -12.788 4.244 102 HA ALA 15 HA ALA 15 7.921 -11.812 2.161 103 HB1 ALA 15 3HB ALA 15 5.649 -13.797 1.996 104 HB2 ALA 15 1HB ALA 15 7.336 -14.182 2.338 105 HB3 ALA 15 2HB ALA 15 6.883 -13.526 0.764 106 H ARG 16 H ARG 16 4.362 -11.693 2.659 107 HA ARG 16 HA ARG 16 3.919 -10.130 0.304 108 HB2 ARG 16 2HB ARG 16 1.634 -9.859 1.077 109 HB3 ARG 16 3HB ARG 16 2.139 -11.528 1.285 110 HG2 ARG 16 2HG ARG 16 2.473 -11.143 3.674 111 HG3 ARG 16 3HG ARG 16 2.001 -9.455 3.475 112 HD2 ARG 16 2HD ARG 16 -0.226 -10.165 2.724 113 HD3 ARG 16 3HD ARG 16 0.247 -11.853 2.910 114 HE ARG 16 HE ARG 16 0.614 -10.449 5.341 115 HH11 ARG 16 1HH1 ARG 16 -1.918 -11.661 3.345 116 HH12 ARG 16 2HH1 ARG 16 -2.970 -11.960 4.680 117 HH21 ARG 16 1HH2 ARG 16 -0.748 -10.816 7.035 118 HH22 ARG 16 2HH2 ARG 16 -2.316 -11.490 6.743 119 H LEU 17 H LEU 17 4.179 -9.300 3.779 120 HA LEU 17 HA LEU 17 3.882 -6.523 3.484 121 HB2 LEU 17 2HB LEU 17 3.802 -7.665 5.643 122 HB3 LEU 17 3HB LEU 17 5.500 -8.084 5.505 123 HG LEU 17 HG LEU 17 6.112 -5.713 5.646 124 HD11 LEU 17 1HD1 LEU 17 4.166 -4.728 4.600 125 HD12 LEU 17 2HD1 LEU 17 4.437 -4.021 6.191 126 HD13 LEU 17 3HD1 LEU 17 3.159 -5.216 5.966 127 HD21 LEU 17 3HD2 LEU 17 5.993 -6.993 7.712 128 HD22 LEU 17 1HD2 LEU 17 4.277 -6.616 7.870 129 HD23 LEU 17 2HD2 LEU 17 5.479 -5.330 7.993 130 H ASP 18 H ASP 18 6.703 -8.599 2.986 131 HA ASP 18 HA ASP 18 8.698 -6.628 2.888 132 HB2 ASP 18 2HB ASP 18 9.108 -9.091 2.931 133 HB3 ASP 18 3HB ASP 18 8.593 -9.170 1.248 134 H ILE 19 H ILE 19 6.556 -7.853 0.334 135 HA ILE 19 HA ILE 19 7.547 -6.442 -1.857 136 HB ILE 19 HB ILE 19 4.602 -6.900 -1.315 137 HG12 ILE 19 2HG1 ILE 19 6.541 -8.842 -2.610 138 HG13 ILE 19 3HG1 ILE 19 5.983 -8.975 -0.946 139 HG21 ILE 19 1HG2 ILE 19 5.062 -5.501 -3.252 140 HG22 ILE 19 2HG2 ILE 19 4.458 -7.073 -3.772 141 HG23 ILE 19 3HG2 ILE 19 6.178 -6.708 -3.890 142 HD11 ILE 19 3HD1 ILE 19 3.677 -9.198 -1.755 143 HD12 ILE 19 1HD1 ILE 19 4.738 -10.465 -2.373 144 HD13 ILE 19 2HD1 ILE 19 4.270 -9.123 -3.415 145 H LEU 20 H LEU 20 5.162 -5.444 0.575 146 HA LEU 20 HA LEU 20 4.718 -2.811 -0.341 147 HB2 LEU 20 2HB LEU 20 4.515 -4.044 2.409 148 HB3 LEU 20 3HB LEU 20 4.012 -2.400 2.058 149 HG LEU 20 HG LEU 20 2.853 -4.774 0.599 150 HD11 LEU 20 1HD1 LEU 20 2.426 -5.090 2.979 151 HD12 LEU 20 2HD1 LEU 20 0.944 -4.676 2.118 152 HD13 LEU 20 3HD1 LEU 20 1.771 -3.455 3.090 153 HD21 LEU 20 3HD2 LEU 20 2.544 -2.638 -0.501 154 HD22 LEU 20 1HD2 LEU 20 1.917 -1.929 0.989 155 HD23 LEU 20 2HD2 LEU 20 1.009 -3.197 0.163 156 H LYS 21 H LYS 21 7.042 -4.104 2.022 157 HA LYS 21 HA LYS 21 8.231 -1.735 2.869 158 HB2 LYS 21 2HB LYS 21 9.485 -4.460 2.466 159 HB3 LYS 21 3HB LYS 21 10.263 -3.136 3.320 160 HG2 LYS 21 2HG LYS 21 8.575 -3.173 5.039 161 HG3 LYS 21 3HG LYS 21 7.632 -4.369 4.145 162 HD2 LYS 21 2HD LYS 21 9.450 -5.988 4.385 163 HD3 LYS 21 3HD LYS 21 10.416 -4.800 5.257 164 HE2 LYS 21 2HE LYS 21 8.732 -4.760 7.041 165 HE3 LYS 21 3HE LYS 21 7.764 -5.932 6.154 166 HZ1 LYS 21 3HZ LYS 21 8.991 -7.087 7.808 167 HZ2 LYS 21 1HZ LYS 21 10.448 -6.367 7.333 168 HZ3 LYS 21 2HZ LYS 21 9.682 -7.473 6.315 169 H ILE 22 H ILE 22 9.110 -3.756 0.059 170 HA ILE 22 HA ILE 22 11.241 -2.066 -0.824 171 HB ILE 22 HB ILE 22 9.634 -4.112 -2.382 172 HG12 ILE 22 2HG1 ILE 22 12.318 -4.354 -0.982 173 HG13 ILE 22 3HG1 ILE 22 10.806 -5.065 -0.427 174 HG21 ILE 22 1HG2 ILE 22 12.301 -2.848 -3.050 175 HG22 ILE 22 2HG2 ILE 22 10.769 -2.525 -3.863 176 HG23 ILE 22 3HG2 ILE 22 11.500 -4.127 -3.966 177 HD11 ILE 22 3HD1 ILE 22 12.206 -6.724 -1.497 178 HD12 ILE 22 1HD1 ILE 22 12.255 -5.758 -2.972 179 HD13 ILE 22 2HD1 ILE 22 10.732 -6.464 -2.429 180 H HIS 23 H HIS 23 7.891 -2.479 -2.051 181 HA HIS 23 HA HIS 23 8.199 -0.527 -4.095 182 HB2 HIS 23 2HB HIS 23 5.769 -1.854 -2.909 183 HB3 HIS 23 3HB HIS 23 5.643 -0.640 -4.180 184 HD1 HIS 23 HD1 HIS 23 6.191 -1.357 -6.550 185 HD2 HIS 23 HD2 HIS 23 7.047 -4.290 -3.729 186 HE1 HIS 23 HE1 HIS 23 6.696 -3.435 -7.863 187 HE2 HIS 23 HE2 HIS 23 7.417 -5.120 -6.146 188 H SER 24 H SER 24 7.522 -0.186 -0.725 189 HA SER 24 HA SER 24 6.221 2.317 -0.725 190 HB2 SER 24 2HB SER 24 6.905 2.549 1.554 191 HB3 SER 24 3HB SER 24 6.640 0.825 1.300 192 HG SER 24 HG SER 24 8.691 0.464 1.632 193 H ARG 25 H ARG 25 9.566 1.414 -1.192 194 HA ARG 25 HA ARG 25 10.828 3.897 -0.891 195 HB2 ARG 25 2HB ARG 25 11.462 1.418 -2.465 196 HB3 ARG 25 3HB ARG 25 12.470 2.840 -2.651 197 HG2 ARG 25 2HG ARG 25 13.432 1.287 -1.057 198 HG3 ARG 25 3HG ARG 25 12.993 2.800 -0.266 199 HD2 ARG 25 2HD ARG 25 10.995 1.786 0.649 200 HD3 ARG 25 3HD ARG 25 11.309 0.296 -0.241 201 HE ARG 25 HE ARG 25 13.314 0.032 1.166 202 HH11 ARG 25 1HH1 ARG 25 10.798 2.100 2.259 203 HH12 ARG 25 2HH1 ARG 25 11.227 1.934 3.924 204 HH21 ARG 25 1HH2 ARG 25 13.853 -0.208 3.312 205 HH22 ARG 25 2HH2 ARG 25 12.950 0.647 4.515 206 H LYS 26 H LYS 26 8.682 2.825 -3.355 207 HA LYS 26 HA LYS 26 9.626 4.667 -5.386 208 HB2 LYS 26 2HB LYS 26 7.106 2.985 -5.324 209 HB3 LYS 26 3HB LYS 26 7.740 3.844 -6.723 210 HG2 LYS 26 2HG LYS 26 9.039 1.527 -5.293 211 HG3 LYS 26 3HG LYS 26 8.274 1.494 -6.882 212 HD2 LYS 26 2HD LYS 26 10.735 3.086 -6.133 213 HD3 LYS 26 3HD LYS 26 10.721 1.581 -7.055 214 HE2 LYS 26 2HE LYS 26 9.447 2.665 -8.831 215 HE3 LYS 26 3HE LYS 26 9.393 4.162 -7.903 216 HZ1 LYS 26 3HZ LYS 26 11.870 2.859 -8.889 217 HZ2 LYS 26 1HZ LYS 26 11.774 4.338 -8.074 218 HZ3 LYS 26 2HZ LYS 26 11.111 4.178 -9.619 219 H MET 27 H MET 27 7.872 5.074 -2.611 220 HA MET 27 HA MET 27 6.831 7.645 -3.566 221 HB2 MET 27 2HB MET 27 5.192 5.661 -1.957 222 HB3 MET 27 3HB MET 27 4.721 7.324 -2.274 223 HG2 MET 27 2HG MET 27 4.694 6.827 -4.687 224 HG3 MET 27 3HG MET 27 5.096 5.151 -4.328 225 HE1 MET 27 3HE MET 27 3.475 3.534 -2.880 226 HE2 MET 27 1HE MET 27 1.903 4.047 -2.272 227 HE3 MET 27 2HE MET 27 3.378 4.756 -1.612 228 H ASN 28 H ASN 28 5.998 8.917 -1.493 229 HA ASN 28 HA ASN 28 8.081 8.634 0.571 230 HB2 ASN 28 2HB ASN 28 6.161 10.949 0.236 231 HB3 ASN 28 3HB ASN 28 7.659 10.920 1.159 232 HD21 ASN 28 1HD2 ASN 28 6.226 11.276 -1.943 233 HD22 ASN 28 2HD2 ASN 28 7.664 11.713 -2.794 234 H LEU 29 H LEU 29 7.532 7.653 2.453 235 HA LEU 29 HA LEU 29 4.731 7.213 3.102 236 HB2 LEU 29 2HB LEU 29 7.225 6.388 4.602 237 HB3 LEU 29 3HB LEU 29 5.592 5.877 4.983 238 HG LEU 29 HG LEU 29 7.139 5.188 2.478 239 HD11 LEU 29 1HD1 LEU 29 7.899 3.979 4.454 240 HD12 LEU 29 2HD1 LEU 29 7.056 2.902 3.341 241 HD13 LEU 29 3HD1 LEU 29 6.244 3.475 4.799 242 HD21 LEU 29 3HD2 LEU 29 5.225 3.763 1.905 243 HD22 LEU 29 1HD2 LEU 29 4.770 5.465 1.967 244 HD23 LEU 29 2HD2 LEU 29 4.342 4.390 3.299 245 H THR 30 H THR 30 3.726 7.833 5.089 246 HA THR 30 HA THR 30 4.696 10.377 6.146 247 HB THR 30 HB THR 30 2.281 10.076 5.563 248 HG1 THR 30 HG1 THR 30 1.621 11.300 7.285 249 HG21 THR 30 3HG2 THR 30 2.225 8.321 8.023 250 HG22 THR 30 1HG2 THR 30 2.018 7.762 6.364 251 HG23 THR 30 2HG2 THR 30 0.828 8.845 7.085 252 H ARG 31 H ARG 31 4.078 10.606 8.656 253 HA ARG 31 HA ARG 31 5.871 8.777 10.028 254 HB2 ARG 31 2HB ARG 31 4.445 11.282 10.957 255 HB3 ARG 31 3HB ARG 31 5.551 10.346 11.957 256 HG2 ARG 31 2HG ARG 31 7.368 10.788 10.391 257 HG3 ARG 31 3HG ARG 31 6.264 11.690 9.351 258 HD2 ARG 31 2HD ARG 31 6.895 12.418 12.211 259 HD3 ARG 31 3HD ARG 31 7.693 13.123 10.804 260 HE ARG 31 HE ARG 31 5.025 13.522 10.360 261 HH11 ARG 31 1HH1 ARG 31 7.180 14.313 12.930 262 HH12 ARG 31 2HH1 ARG 31 6.355 15.787 13.307 263 HH21 ARG 31 1HH2 ARG 31 3.968 15.408 10.877 264 HH22 ARG 31 2HH2 ARG 31 4.567 16.396 12.167 265 H GLY 32 H GLY 32 5.344 7.437 11.744 266 HA2 GLY 32 2HA GLY 32 4.044 6.009 12.994 267 HA3 GLY 32 3HA GLY 32 2.809 7.255 12.980 268 H ILE 33 H ILE 33 4.110 5.658 10.123 269 HA ILE 33 HA ILE 33 1.414 4.850 9.372 270 HB ILE 33 HB ILE 33 2.788 6.029 7.722 271 HG12 ILE 33 2HG1 ILE 33 2.210 3.157 6.941 272 HG13 ILE 33 3HG1 ILE 33 1.052 4.482 6.937 273 HG21 ILE 33 1HG2 ILE 33 4.995 5.239 8.388 274 HG22 ILE 33 2HG2 ILE 33 4.726 4.967 6.668 275 HG23 ILE 33 3HG2 ILE 33 4.610 3.622 7.802 276 HD11 ILE 33 3HD1 ILE 33 3.479 4.220 5.180 277 HD12 ILE 33 1HD1 ILE 33 2.391 5.607 5.208 278 HD13 ILE 33 2HD1 ILE 33 1.792 4.028 4.701 279 H ASN 34 H ASN 34 0.661 2.914 9.905 280 HA ASN 34 HA ASN 34 2.458 0.691 10.490 281 HB2 ASN 34 2HB ASN 34 0.561 1.177 12.001 282 HB3 ASN 34 3HB ASN 34 -0.564 0.875 10.685 283 HD21 ASN 34 1HD2 ASN 34 -0.420 -0.433 13.236 284 HD22 ASN 34 2HD2 ASN 34 -0.155 -2.112 12.918 285 H LEU 35 H LEU 35 3.177 -0.434 8.774 286 HA LEU 35 HA LEU 35 1.624 -0.632 6.331 287 HB2 LEU 35 2HB LEU 35 4.335 -1.767 7.037 288 HB3 LEU 35 3HB LEU 35 3.606 -1.816 5.443 289 HG LEU 35 HG LEU 35 4.414 0.696 6.925 290 HD11 LEU 35 1HD1 LEU 35 6.153 0.878 5.200 291 HD12 LEU 35 2HD1 LEU 35 5.673 -0.693 4.558 292 HD13 LEU 35 3HD1 LEU 35 6.347 -0.572 6.184 293 HD21 LEU 35 3HD2 LEU 35 2.482 1.093 5.490 294 HD22 LEU 35 1HD2 LEU 35 3.311 0.335 4.133 295 HD23 LEU 35 2HD2 LEU 35 3.922 1.846 4.808 296 H ARG 36 H ARG 36 2.499 -2.745 9.027 297 HA ARG 36 HA ARG 36 2.024 -5.208 7.726 298 HB2 ARG 36 2HB ARG 36 3.143 -4.795 10.030 299 HB3 ARG 36 3HB ARG 36 1.503 -4.836 10.671 300 HG2 ARG 36 2HG ARG 36 1.302 -7.088 9.414 301 HG3 ARG 36 3HG ARG 36 3.061 -7.033 9.342 302 HD2 ARG 36 2HD ARG 36 2.612 -8.289 11.258 303 HD3 ARG 36 3HD ARG 36 2.950 -6.676 11.890 304 HE ARG 36 HE ARG 36 0.230 -6.747 11.530 305 HH11 ARG 36 1HH1 ARG 36 2.501 -8.638 13.297 306 HH12 ARG 36 2HH1 ARG 36 1.354 -9.076 14.514 307 HH21 ARG 36 1HH2 ARG 36 -1.238 -7.329 13.081 308 HH22 ARG 36 2HH2 ARG 36 -0.736 -8.330 14.400 309 H LYS 37 H LYS 37 -0.144 -3.133 9.647 310 HA LYS 37 HA LYS 37 -2.390 -4.785 9.691 311 HB2 LYS 37 2HB LYS 37 -2.044 -2.565 10.907 312 HB3 LYS 37 3HB LYS 37 -2.526 -1.772 9.415 313 HG2 LYS 37 2HG LYS 37 -4.320 -3.835 10.643 314 HG3 LYS 37 3HG LYS 37 -4.269 -2.209 11.316 315 HD2 LYS 37 2HD LYS 37 -4.783 -2.733 8.390 316 HD3 LYS 37 3HD LYS 37 -6.079 -2.691 9.582 317 HE2 LYS 37 2HE LYS 37 -5.294 -0.391 10.216 318 HE3 LYS 37 3HE LYS 37 -4.185 -0.457 8.848 319 HZ1 LYS 37 3HZ LYS 37 -6.189 0.691 8.237 320 HZ2 LYS 37 1HZ LYS 37 -7.144 -0.614 8.719 321 HZ3 LYS 37 2HZ LYS 37 -6.113 -0.767 7.390 322 H ILE 38 H ILE 38 -1.125 -2.779 7.119 323 HA ILE 38 HA ILE 38 -3.375 -2.948 5.381 324 HB ILE 38 HB ILE 38 -0.457 -2.507 4.689 325 HG12 ILE 38 2HG1 ILE 38 -1.244 -0.820 6.255 326 HG13 ILE 38 3HG1 ILE 38 -1.064 -0.101 4.659 327 HG21 ILE 38 1HG2 ILE 38 -1.737 -3.178 2.733 328 HG22 ILE 38 2HG2 ILE 38 -1.306 -1.471 2.627 329 HG23 ILE 38 3HG2 ILE 38 -2.947 -1.939 3.073 330 HD11 ILE 38 3HD1 ILE 38 -3.652 -0.964 5.937 331 HD12 ILE 38 1HD1 ILE 38 -3.484 -0.272 4.321 332 HD13 ILE 38 2HD1 ILE 38 -3.076 0.691 5.740 333 H ALA 39 H ALA 39 -0.327 -4.783 5.592 334 HA ALA 39 HA ALA 39 -0.792 -6.592 3.500 335 HB1 ALA 39 3HB ALA 39 0.931 -7.977 4.534 336 HB2 ALA 39 1HB ALA 39 0.795 -7.051 6.031 337 HB3 ALA 39 2HB ALA 39 1.397 -6.276 4.566 338 H GLU 40 H GLU 40 -1.618 -6.803 6.952 339 HA GLU 40 HA GLU 40 -2.613 -9.406 7.018 340 HB2 GLU 40 2HB GLU 40 -3.540 -7.010 8.621 341 HB3 GLU 40 3HB GLU 40 -3.912 -8.686 9.004 342 HG2 GLU 40 2HG GLU 40 -1.464 -9.109 9.221 343 HG3 GLU 40 3HG GLU 40 -1.198 -7.379 9.014 344 H LEU 41 H LEU 41 -4.048 -6.548 5.668 345 HA LEU 41 HA LEU 41 -6.745 -7.573 5.609 346 HB2 LEU 41 2HB LEU 41 -5.475 -5.221 4.197 347 HB3 LEU 41 3HB LEU 41 -7.192 -5.586 4.174 348 HG LEU 41 HG LEU 41 -5.593 -4.909 6.654 349 HD11 LEU 41 1HD1 LEU 41 -6.769 -2.775 6.616 350 HD12 LEU 41 2HD1 LEU 41 -7.565 -3.223 5.107 351 HD13 LEU 41 3HD1 LEU 41 -5.818 -2.989 5.144 352 HD21 LEU 41 3HD2 LEU 41 -8.567 -5.287 6.266 353 HD22 LEU 41 1HD2 LEU 41 -7.777 -4.752 7.751 354 HD23 LEU 41 2HD2 LEU 41 -7.484 -6.377 7.135 355 H MET 42 H MET 42 -3.992 -8.182 3.739 356 HA MET 42 HA MET 42 -5.575 -8.851 1.339 357 HB2 MET 42 2HB MET 42 -2.571 -8.574 1.579 358 HB3 MET 42 3HB MET 42 -3.496 -8.754 0.093 359 HG2 MET 42 2HG MET 42 -4.582 -6.577 0.545 360 HG3 MET 42 3HG MET 42 -3.568 -6.397 1.977 361 HE1 MET 42 3HE MET 42 -2.657 -7.862 -1.579 362 HE2 MET 42 1HE MET 42 -2.004 -6.424 -2.361 363 HE3 MET 42 2HE MET 42 -3.710 -6.490 -1.922 364 HA PRO 43 HA PRO 43 -4.768 -13.006 3.171 365 HB2 PRO 43 2HB PRO 43 -6.964 -14.215 2.128 366 HB3 PRO 43 3HB PRO 43 -7.023 -13.212 3.583 367 HG2 PRO 43 2HG PRO 43 -7.720 -12.487 0.754 368 HG3 PRO 43 3HG PRO 43 -8.605 -12.124 2.252 369 HD2 PRO 43 2HD PRO 43 -7.003 -10.307 1.032 370 HD3 PRO 43 3HD PRO 43 -7.215 -10.358 2.793 371 H GLY 44 H GLY 44 -2.992 -13.718 2.030 372 HA2 GLY 44 2HA GLY 44 -1.820 -14.942 0.483 373 HA3 GLY 44 3HA GLY 44 -3.363 -15.623 0.003 374 H ALA 45 H ALA 45 -2.408 -12.228 -0.242 375 HA ALA 45 HA ALA 45 -3.010 -12.233 -3.082 376 HB1 ALA 45 3HB ALA 45 -2.705 -9.823 -2.953 377 HB2 ALA 45 1HB ALA 45 -2.080 -9.970 -1.310 378 HB3 ALA 45 2HB ALA 45 -3.761 -10.383 -1.657 379 H SER 46 H SER 46 -1.556 -11.722 -4.749 380 HA SER 46 HA SER 46 1.239 -12.399 -4.159 381 HB2 SER 46 2HB SER 46 1.492 -12.859 -6.509 382 HB3 SER 46 3HB SER 46 -0.026 -13.591 -5.991 383 HG SER 46 HG SER 46 -1.136 -11.851 -6.904 384 H GLY 47 H GLY 47 2.836 -11.279 -5.797 385 HA2 GLY 47 2HA GLY 47 3.179 -8.630 -5.041 386 HA3 GLY 47 3HA GLY 47 3.955 -9.381 -6.423 387 H ALA 48 H ALA 48 1.314 -9.886 -7.745 388 HA ALA 48 HA ALA 48 1.120 -7.474 -9.229 389 HB1 ALA 48 3HB ALA 48 -0.811 -9.797 -9.136 390 HB2 ALA 48 1HB ALA 48 0.600 -9.672 -10.186 391 HB3 ALA 48 2HB ALA 48 -0.746 -8.550 -10.381 392 H GLU 49 H GLU 49 -1.083 -8.947 -6.823 393 HA GLU 49 HA GLU 49 -2.953 -6.823 -6.783 394 HB2 GLU 49 2HB GLU 49 -2.280 -8.898 -4.679 395 HB3 GLU 49 3HB GLU 49 -3.607 -7.758 -4.522 396 HG2 GLU 49 2HG GLU 49 -4.569 -9.766 -5.272 397 HG3 GLU 49 3HG GLU 49 -4.523 -8.709 -6.680 398 H VAL 50 H VAL 50 -0.144 -7.521 -4.719 399 HA VAL 50 HA VAL 50 -0.436 -5.343 -2.962 400 HB VAL 50 HB VAL 50 2.146 -6.717 -3.761 401 HG11 VAL 50 1HG1 VAL 50 1.450 -5.073 -1.320 402 HG12 VAL 50 2HG1 VAL 50 2.561 -4.613 -2.609 403 HG13 VAL 50 3HG1 VAL 50 2.953 -5.966 -1.550 404 HG21 VAL 50 3HG2 VAL 50 1.774 -8.131 -1.779 405 HG22 VAL 50 1HG2 VAL 50 0.489 -8.330 -2.974 406 HG23 VAL 50 2HG2 VAL 50 0.206 -7.359 -1.528 407 H LYS 51 H LYS 51 1.415 -5.609 -6.002 408 HA LYS 51 HA LYS 51 2.482 -2.991 -5.967 409 HB2 LYS 51 2HB LYS 51 3.325 -4.770 -7.455 410 HB3 LYS 51 3HB LYS 51 1.819 -4.731 -8.361 411 HG2 LYS 51 2HG LYS 51 2.278 -2.525 -9.171 412 HG3 LYS 51 3HG LYS 51 3.667 -2.360 -8.097 413 HD2 LYS 51 2HD LYS 51 4.395 -2.836 -10.378 414 HD3 LYS 51 3HD LYS 51 4.815 -4.168 -9.302 415 HE2 LYS 51 2HE LYS 51 3.964 -5.057 -11.376 416 HE3 LYS 51 3HE LYS 51 2.803 -5.383 -10.090 417 HZ1 LYS 51 3HZ LYS 51 2.607 -3.176 -12.069 418 HZ2 LYS 51 1HZ LYS 51 1.484 -3.512 -10.853 419 HZ3 LYS 51 2HZ LYS 51 1.721 -4.616 -12.112 420 H GLY 52 H GLY 52 -0.592 -4.292 -7.132 421 HA2 GLY 52 2HA GLY 52 -1.654 -1.964 -8.293 422 HA3 GLY 52 3HA GLY 52 -2.597 -3.243 -7.539 423 H VAL 53 H VAL 53 -1.888 -3.125 -4.931 424 HA VAL 53 HA VAL 53 -3.277 -0.965 -3.830 425 HB VAL 53 HB VAL 53 -1.177 -2.726 -2.533 426 HG11 VAL 53 1HG1 VAL 53 -1.477 -0.673 -1.239 427 HG12 VAL 53 2HG1 VAL 53 -2.155 -2.058 -0.384 428 HG13 VAL 53 3HG1 VAL 53 -3.223 -0.926 -1.217 429 HG21 VAL 53 3HG2 VAL 53 -3.079 -3.977 -3.416 430 HG22 VAL 53 1HG2 VAL 53 -4.196 -2.923 -2.547 431 HG23 VAL 53 2HG2 VAL 53 -3.100 -3.976 -1.652 432 H CYS 54 H CYS 54 0.243 -1.439 -4.163 433 HA CYS 54 HA CYS 54 1.110 0.898 -2.903 434 HB2 CYS 54 2HB CYS 54 2.379 -0.521 -5.262 435 HB3 CYS 54 3HB CYS 54 3.187 0.640 -4.216 436 HG CYS 54 HG CYS 54 1.840 -2.135 -2.792 437 H THR 55 H THR 55 0.290 0.367 -6.328 438 HA THR 55 HA THR 55 0.948 2.967 -7.232 439 HB THR 55 HB THR 55 -1.090 1.074 -8.444 440 HG1 THR 55 HG1 THR 55 0.576 -0.120 -8.928 441 HG21 THR 55 3HG2 THR 55 0.538 3.310 -9.680 442 HG22 THR 55 1HG2 THR 55 -1.200 3.338 -9.378 443 HG23 THR 55 2HG2 THR 55 -0.528 2.211 -10.559 444 H GLU 56 H GLU 56 -2.219 1.528 -6.408 445 HA GLU 56 HA GLU 56 -3.688 3.890 -6.969 446 HB2 GLU 56 2HB GLU 56 -4.473 1.463 -5.345 447 HB3 GLU 56 3HB GLU 56 -5.583 2.711 -5.901 448 HG2 GLU 56 2HG GLU 56 -3.955 0.865 -7.650 449 HG3 GLU 56 3HG GLU 56 -5.685 0.748 -7.333 450 H ALA 57 H ALA 57 -2.230 2.659 -3.995 451 HA ALA 57 HA ALA 57 -3.391 4.386 -2.132 452 HB1 ALA 57 3HB ALA 57 -1.366 4.076 -0.795 453 HB2 ALA 57 1HB ALA 57 -0.527 3.422 -2.202 454 HB3 ALA 57 2HB ALA 57 -1.894 2.551 -1.506 455 H GLY 58 H GLY 58 -0.515 4.890 -4.169 456 HA2 GLY 58 2HA GLY 58 0.065 7.532 -3.439 457 HA3 GLY 58 3HA GLY 58 0.442 6.807 -4.996 458 H MET 59 H MET 59 -2.335 6.275 -5.704 459 HA MET 59 HA MET 59 -3.031 8.751 -6.902 460 HB2 MET 59 2HB MET 59 -4.795 6.320 -6.510 461 HB3 MET 59 3HB MET 59 -5.058 7.622 -7.660 462 HG2 MET 59 2HG MET 59 -2.517 6.078 -7.822 463 HG3 MET 59 3HG MET 59 -4.003 5.326 -8.392 464 HE1 MET 59 3HE MET 59 -2.052 9.094 -10.232 465 HE2 MET 59 1HE MET 59 -1.381 8.161 -8.895 466 HE3 MET 59 2HE MET 59 -2.810 9.168 -8.641 467 H TYR 60 H TYR 60 -4.430 6.973 -4.143 468 HA TYR 60 HA TYR 60 -6.404 8.886 -3.488 469 HB2 TYR 60 2HB TYR 60 -5.080 6.680 -1.924 470 HB3 TYR 60 3HB TYR 60 -6.230 7.770 -1.151 471 HD1 TYR 60 HD2 TYR 60 -8.588 7.856 -1.967 472 HD2 TYR 60 HD1 TYR 60 -5.839 4.924 -3.375 473 HE1 TYR 60 HE2 TYR 60 -10.463 6.513 -2.820 474 HE2 TYR 60 HE1 TYR 60 -7.707 3.582 -4.233 475 HH TYR 60 HH TYR 60 -10.941 4.802 -4.375 476 H ALA 61 H ALA 61 -3.007 8.648 -2.607 477 HA ALA 61 HA ALA 61 -3.046 10.815 -0.753 478 HB1 ALA 61 3HB ALA 61 -1.248 9.150 -0.789 479 HB2 ALA 61 1HB ALA 61 -0.615 10.787 -0.961 480 HB3 ALA 61 2HB ALA 61 -0.735 9.734 -2.372 481 H LEU 62 H LEU 62 -2.114 10.623 -4.195 482 HA LEU 62 HA LEU 62 -1.347 13.323 -4.439 483 HB2 LEU 62 2HB LEU 62 -2.159 11.314 -6.538 484 HB3 LEU 62 3HB LEU 62 -1.524 12.905 -6.913 485 HG LEU 62 HG LEU 62 -0.050 10.717 -5.430 486 HD11 LEU 62 1HD1 LEU 62 0.360 11.855 -8.195 487 HD12 LEU 62 2HD1 LEU 62 -0.272 10.253 -7.810 488 HD13 LEU 62 3HD1 LEU 62 1.395 10.664 -7.404 489 HD21 LEU 62 3HD2 LEU 62 0.578 12.925 -4.598 490 HD22 LEU 62 1HD2 LEU 62 0.883 13.471 -6.248 491 HD23 LEU 62 2HD2 LEU 62 1.887 12.207 -5.537 492 H ARG 63 H ARG 63 -4.525 11.819 -4.774 493 HA ARG 63 HA ARG 63 -5.812 13.950 -6.106 494 HB2 ARG 63 2HB ARG 63 -7.918 13.072 -5.190 495 HB3 ARG 63 3HB ARG 63 -6.908 11.792 -5.848 496 HG2 ARG 63 2HG ARG 63 -6.211 11.168 -3.602 497 HG3 ARG 63 3HG ARG 63 -7.183 12.475 -2.925 498 HD2 ARG 63 2HD ARG 63 -8.298 10.202 -4.572 499 HD3 ARG 63 3HD ARG 63 -8.257 10.217 -2.809 500 HE ARG 63 HE ARG 63 -9.575 12.439 -3.203 501 HH11 ARG 63 1HH1 ARG 63 -9.906 9.497 -4.950 502 HH12 ARG 63 2HH1 ARG 63 -11.585 9.741 -5.264 503 HH21 ARG 63 1HH2 ARG 63 -11.715 12.742 -3.575 504 HH22 ARG 63 2HH2 ARG 63 -12.605 11.581 -4.494 505 H GLU 64 H GLU 64 -5.079 13.464 -2.681 506 HA GLU 64 HA GLU 64 -6.143 16.121 -2.032 507 HB2 GLU 64 2HB GLU 64 -4.935 13.953 -0.294 508 HB3 GLU 64 3HB GLU 64 -5.445 15.522 0.311 509 HG2 GLU 64 2HG GLU 64 -7.747 14.975 -0.600 510 HG3 GLU 64 3HG GLU 64 -7.155 13.332 -0.837 511 H ARG 65 H ARG 65 -3.553 15.213 -3.560 512 HA ARG 65 HA ARG 65 -1.468 15.989 -3.943 513 HB2 ARG 65 2HB ARG 65 -2.447 18.361 -2.338 514 HB3 ARG 65 3HB ARG 65 -0.996 18.345 -3.337 515 HG2 ARG 65 2HG ARG 65 -3.836 17.987 -4.296 516 HG3 ARG 65 3HG ARG 65 -2.821 19.414 -4.524 517 HD2 ARG 65 2HD ARG 65 -1.310 18.181 -5.940 518 HD3 ARG 65 3HD ARG 65 -2.134 16.666 -5.580 519 HE ARG 65 HE ARG 65 -3.768 18.697 -6.840 520 HH11 ARG 65 1HH1 ARG 65 -1.788 15.914 -7.250 521 HH12 ARG 65 2HH1 ARG 65 -2.407 15.558 -8.822 522 HH21 ARG 65 1HH2 ARG 65 -4.581 18.220 -8.866 523 HH22 ARG 65 2HH2 ARG 65 -3.967 16.855 -9.728 524 H ARG 66 H ARG 66 -2.031 14.421 -1.456 525 HA ARG 66 HA ARG 66 -0.208 15.194 0.576 526 HB2 ARG 66 2HB ARG 66 -1.166 12.418 -0.171 527 HB3 ARG 66 3HB ARG 66 -0.357 12.842 1.328 528 HG2 ARG 66 2HG ARG 66 -2.249 14.243 1.971 529 HG3 ARG 66 3HG ARG 66 -3.050 13.874 0.441 530 HD2 ARG 66 2HD ARG 66 -3.154 11.509 1.042 531 HD3 ARG 66 3HD ARG 66 -2.290 11.833 2.544 532 HE ARG 66 HE ARG 66 -4.485 13.441 2.670 533 HH11 ARG 66 1HH1 ARG 66 -4.035 10.046 2.205 534 HH12 ARG 66 2HH1 ARG 66 -5.533 9.648 2.960 535 HH21 ARG 66 1HH2 ARG 66 -6.403 12.893 3.636 536 HH22 ARG 66 2HH2 ARG 66 -6.858 11.230 3.753 537 H VAL 67 H VAL 67 1.965 15.400 0.294 538 HA VAL 67 HA VAL 67 3.409 14.003 -1.759 539 HB VAL 67 HB VAL 67 4.557 15.435 0.654 540 HG11 VAL 67 1HG1 VAL 67 5.798 14.731 -2.012 541 HG12 VAL 67 2HG1 VAL 67 6.177 13.994 -0.455 542 HG13 VAL 67 3HG1 VAL 67 6.567 15.689 -0.746 543 HG21 VAL 67 3HG2 VAL 67 4.774 17.401 -0.812 544 HG22 VAL 67 1HG2 VAL 67 3.086 16.936 -0.589 545 HG23 VAL 67 2HG2 VAL 67 3.920 16.536 -2.092 546 H HIS 68 H HIS 68 2.924 13.587 1.699 547 HA HIS 68 HA HIS 68 4.402 11.048 1.656 548 HB2 HIS 68 2HB HIS 68 3.349 12.699 3.964 549 HB3 HIS 68 3HB HIS 68 4.184 11.158 4.141 550 HD1 HIS 68 HD1 HIS 68 4.776 14.771 3.604 551 HD2 HIS 68 HD2 HIS 68 6.954 11.236 3.462 552 HE1 HIS 68 HE1 HIS 68 7.186 15.468 3.537 553 HE2 HIS 68 HE2 HIS 68 8.475 13.323 3.304 554 H VAL 69 H VAL 69 3.159 9.411 1.000 555 HA VAL 69 HA VAL 69 0.349 9.259 1.195 556 HB VAL 69 HB VAL 69 2.262 6.929 0.894 557 HG11 VAL 69 1HG1 VAL 69 -0.032 6.244 1.346 558 HG12 VAL 69 2HG1 VAL 69 0.405 5.865 -0.319 559 HG13 VAL 69 3HG1 VAL 69 -0.617 7.260 0.028 560 HG21 VAL 69 3HG2 VAL 69 2.811 8.651 -0.739 561 HG22 VAL 69 1HG2 VAL 69 1.124 8.728 -1.250 562 HG23 VAL 69 2HG2 VAL 69 2.064 7.263 -1.532 563 H THR 70 H THR 70 -1.009 8.242 2.667 564 HA THR 70 HA THR 70 0.248 7.537 5.248 565 HB THR 70 HB THR 70 -1.745 8.171 6.378 566 HG1 THR 70 HG1 THR 70 -3.016 8.526 3.844 567 HG21 THR 70 3HG2 THR 70 -0.355 10.064 5.612 568 HG22 THR 70 1HG2 THR 70 -2.064 10.499 5.716 569 HG23 THR 70 2HG2 THR 70 -1.331 10.172 4.145 570 H GLN 71 H GLN 71 -0.812 5.881 6.552 571 HA GLN 71 HA GLN 71 -1.044 3.399 5.363 572 HB2 GLN 71 2HB GLN 71 -0.674 3.693 7.744 573 HB3 GLN 71 3HB GLN 71 -2.258 4.429 7.937 574 HG2 GLN 71 2HG GLN 71 -3.265 2.260 7.213 575 HG3 GLN 71 3HG GLN 71 -1.646 1.561 7.258 576 HE21 GLN 71 1HE2 GLN 71 -2.161 0.126 8.893 577 HE22 GLN 71 2HE2 GLN 71 -2.467 0.624 10.520 578 H GLU 72 H GLU 72 -3.579 5.746 6.061 579 HA GLU 72 HA GLU 72 -5.810 4.093 5.580 580 HB2 GLU 72 2HB GLU 72 -5.519 7.099 5.401 581 HB3 GLU 72 3HB GLU 72 -7.057 6.241 5.395 582 HG2 GLU 72 2HG GLU 72 -6.692 5.431 7.622 583 HG3 GLU 72 3HG GLU 72 -5.046 6.062 7.635 584 H ASP 73 H ASP 73 -3.782 5.953 3.389 585 HA ASP 73 HA ASP 73 -5.481 5.747 1.111 586 HB2 ASP 73 2HB ASP 73 -2.480 6.114 1.291 587 HB3 ASP 73 3HB ASP 73 -3.427 6.301 -0.183 588 H PHE 74 H PHE 74 -2.860 3.725 2.381 589 HA PHE 74 HA PHE 74 -2.706 1.897 0.240 590 HB2 PHE 74 2HB PHE 74 -2.019 1.625 3.170 591 HB3 PHE 74 3HB PHE 74 -1.734 0.334 2.008 592 HD1 PHE 74 HD2 PHE 74 -0.096 0.633 0.188 593 HD2 PHE 74 HD1 PHE 74 -0.590 3.556 3.255 594 HE1 PHE 74 HE2 PHE 74 2.067 1.631 -0.417 595 HE2 PHE 74 HE1 PHE 74 1.577 4.554 2.649 596 HZ PHE 74 HZ PHE 74 2.907 3.591 0.811 597 H GLU 75 H GLU 75 -4.551 1.665 3.306 598 HA GLU 75 HA GLU 75 -5.698 -0.850 2.744 599 HB2 GLU 75 2HB GLU 75 -7.331 -0.320 4.508 600 HB3 GLU 75 3HB GLU 75 -5.676 0.017 4.999 601 HG2 GLU 75 2HG GLU 75 -6.033 2.398 4.575 602 HG3 GLU 75 3HG GLU 75 -7.690 2.059 4.075 603 H MET 76 H MET 76 -6.798 2.424 1.938 604 HA MET 76 HA MET 76 -9.300 1.733 0.838 605 HB2 MET 76 2HB MET 76 -7.377 3.987 0.278 606 HB3 MET 76 3HB MET 76 -8.883 3.824 -0.616 607 HG2 MET 76 2HG MET 76 -8.649 4.107 2.376 608 HG3 MET 76 3HG MET 76 -9.087 5.391 1.249 609 HE1 MET 76 3HE MET 76 -12.484 3.946 -0.200 610 HE2 MET 76 1HE MET 76 -10.869 3.625 -0.832 611 HE3 MET 76 2HE MET 76 -11.306 5.255 -0.315 612 H ALA 77 H ALA 77 -6.061 1.792 -0.592 613 HA ALA 77 HA ALA 77 -6.829 0.975 -3.195 614 HB1 ALA 77 3HB ALA 77 -4.656 1.990 -2.710 615 HB2 ALA 77 1HB ALA 77 -4.467 0.429 -3.508 616 HB3 ALA 77 2HB ALA 77 -4.195 0.570 -1.771 617 H VAL 78 H VAL 78 -5.886 -0.850 -0.292 618 HA VAL 78 HA VAL 78 -5.898 -3.439 -1.354 619 HB VAL 78 HB VAL 78 -6.705 -2.530 1.424 620 HG11 VAL 78 1HG1 VAL 78 -7.615 -4.746 0.996 621 HG12 VAL 78 2HG1 VAL 78 -6.265 -4.857 2.124 622 HG13 VAL 78 3HG1 VAL 78 -6.043 -5.312 0.434 623 HG21 VAL 78 3HG2 VAL 78 -4.432 -3.199 2.057 624 HG22 VAL 78 1HG2 VAL 78 -4.407 -1.942 0.821 625 HG23 VAL 78 2HG2 VAL 78 -4.081 -3.617 0.380 626 H ALA 79 H ALA 79 -8.582 -1.637 0.160 627 HA ALA 79 HA ALA 79 -10.602 -3.530 -0.186 628 HB1 ALA 79 3HB ALA 79 -12.168 -1.667 0.020 629 HB2 ALA 79 1HB ALA 79 -10.860 -0.520 -0.273 630 HB3 ALA 79 2HB ALA 79 -10.851 -1.512 1.184 631 H LYS 80 H LYS 80 -9.383 -1.079 -2.426 632 HA LYS 80 HA LYS 80 -11.281 -1.447 -4.488 633 HB2 LYS 80 2HB LYS 80 -9.798 0.508 -4.355 634 HB3 LYS 80 3HB LYS 80 -8.403 -0.521 -4.653 635 HG2 LYS 80 2HG LYS 80 -9.413 -1.113 -6.872 636 HG3 LYS 80 3HG LYS 80 -10.647 0.113 -6.565 637 HD2 LYS 80 2HD LYS 80 -7.662 0.568 -6.766 638 HD3 LYS 80 3HD LYS 80 -8.880 1.038 -7.952 639 HE2 LYS 80 2HE LYS 80 -8.645 2.096 -5.132 640 HE3 LYS 80 3HE LYS 80 -8.187 2.951 -6.604 641 HZ1 LYS 80 3HZ LYS 80 -10.358 3.635 -5.788 642 HZ2 LYS 80 1HZ LYS 80 -10.936 2.056 -5.925 643 HZ3 LYS 80 2HZ LYS 80 -10.485 2.915 -7.310 644 H VAL 81 H VAL 81 -8.002 -2.818 -4.081 645 HA VAL 81 HA VAL 81 -8.054 -4.342 -6.480 646 HB VAL 81 HB VAL 81 -6.322 -4.721 -4.024 647 HG11 VAL 81 1HG1 VAL 81 -5.925 -5.740 -6.845 648 HG12 VAL 81 2HG1 VAL 81 -6.340 -6.720 -5.439 649 HG13 VAL 81 3HG1 VAL 81 -4.779 -5.906 -5.513 650 HG21 VAL 81 3HG2 VAL 81 -6.100 -2.486 -4.985 651 HG22 VAL 81 1HG2 VAL 81 -5.792 -3.188 -6.575 652 HG23 VAL 81 2HG2 VAL 81 -4.642 -3.435 -5.262 653 H MET 82 H MET 82 -8.765 -5.187 -3.101 654 HA MET 82 HA MET 82 -9.275 -7.963 -3.749 655 HB2 MET 82 2HB MET 82 -9.713 -6.405 -1.192 656 HB3 MET 82 3HB MET 82 -9.957 -8.140 -1.358 657 HG2 MET 82 2HG MET 82 -7.359 -6.650 -1.676 658 HG3 MET 82 3HG MET 82 -7.817 -7.697 -0.335 659 HE1 MET 82 3HE MET 82 -9.317 -10.053 -1.970 660 HE2 MET 82 1HE MET 82 -8.219 -10.343 -0.621 661 HE3 MET 82 2HE MET 82 -7.989 -11.201 -2.143 662 H GLN 83 H GLN 83 -11.148 -5.040 -3.502 663 HA GLN 83 HA GLN 83 -13.343 -4.560 -3.883 664 HB2 GLN 83 2HB GLN 83 -13.389 -7.282 -5.215 665 HB3 GLN 83 3HB GLN 83 -14.550 -5.981 -5.467 666 HG2 GLN 83 2HG GLN 83 -12.807 -4.590 -6.440 667 HG3 GLN 83 3HG GLN 83 -11.612 -5.852 -6.148 668 HE21 GLN 83 1HE2 GLN 83 -11.680 -7.737 -7.420 669 HE22 GLN 83 2HE2 GLN 83 -12.516 -7.764 -8.930 670 H LYS 84 H LYS 84 -12.598 -6.010 -1.422 671 HA LYS 84 HA LYS 84 -14.891 -7.770 -0.926 672 HB2 LYS 84 2HB LYS 84 -12.444 -8.427 -0.457 673 HB3 LYS 84 3HB LYS 84 -12.544 -7.344 0.923 674 HG2 LYS 84 2HG LYS 84 -12.942 -9.612 1.633 675 HG3 LYS 84 3HG LYS 84 -14.428 -8.672 1.801 676 HD2 LYS 84 2HD LYS 84 -15.304 -9.614 -0.256 677 HD3 LYS 84 3HD LYS 84 -13.787 -10.466 -0.550 678 HE2 LYS 84 2HE LYS 84 -14.146 -11.799 1.473 679 HE3 LYS 84 3HE LYS 84 -15.659 -10.942 1.774 680 HZ1 LYS 84 3HZ LYS 84 -15.079 -12.594 -0.625 681 HZ2 LYS 84 1HZ LYS 84 -16.547 -11.822 -0.273 682 HZ3 LYS 84 2HZ LYS 84 -16.002 -13.091 0.703 683 H ASP 85 H ASP 85 -16.617 -6.576 -0.329 684 HA ASP 85 HA ASP 85 -18.026 -5.369 0.964 685 HB2 ASP 85 2HB ASP 85 -17.082 -6.815 2.753 686 HB3 ASP 85 3HB ASP 85 -15.870 -5.582 3.079 687 H SER 86 H SER 86 -17.847 -3.521 -0.391 688 HA SER 86 HA SER 86 -16.803 -1.181 1.011 689 HB2 SER 86 2HB SER 86 -15.913 -1.893 -1.799 690 HB3 SER 86 3HB SER 86 -15.679 -0.307 -1.060 691 HG SER 86 HG SER 86 -14.739 -2.705 0.134 Start of MODEL 8 1 H1 MET 1 1H MET 1 13.266 -17.785 -16.751 2 H2 MET 1 2H MET 1 11.674 -17.956 -16.207 3 H3 MET 1 3H MET 1 12.407 -19.205 -17.080 4 HA MET 1 HA MET 1 13.968 -19.619 -15.330 5 HB2 MET 1 2HB MET 1 12.523 -17.378 -13.885 6 HB3 MET 1 3HB MET 1 13.749 -18.416 -13.169 7 HG2 MET 1 2HG MET 1 14.138 -16.466 -15.432 8 HG3 MET 1 3HG MET 1 14.722 -16.302 -13.776 9 HE1 MET 1 3HE MET 1 17.164 -15.790 -14.739 10 HE2 MET 1 1HE MET 1 16.579 -15.996 -16.389 11 HE3 MET 1 2HE MET 1 18.018 -16.860 -15.851 12 H GLY 2 H GLY 2 13.469 -21.098 -13.600 13 HA2 GLY 2 2HA GLY 2 10.825 -22.256 -13.913 14 HA3 GLY 2 3HA GLY 2 12.175 -22.945 -13.031 15 H HIS 3 H HIS 3 11.556 -19.740 -12.084 16 HA HIS 3 HA HIS 3 10.594 -18.750 -10.275 17 HB2 HIS 3 2HB HIS 3 8.662 -21.081 -10.405 18 HB3 HIS 3 3HB HIS 3 8.422 -19.610 -9.470 19 HD1 HIS 3 HD1 HIS 3 7.658 -17.519 -10.730 20 HD2 HIS 3 HD2 HIS 3 8.319 -20.800 -13.188 21 HE1 HIS 3 HE1 HIS 3 6.697 -16.892 -12.962 22 HE2 HIS 3 HE2 HIS 3 7.337 -18.791 -14.479 23 H HIS 4 H HIS 4 12.663 -20.954 -9.916 24 HA HIS 4 HA HIS 4 12.029 -22.308 -7.479 25 HB2 HIS 4 2HB HIS 4 14.606 -21.931 -8.997 26 HB3 HIS 4 3HB HIS 4 14.550 -22.779 -7.455 27 HD1 HIS 4 HD1 HIS 4 13.564 -25.125 -7.426 28 HD2 HIS 4 HD2 HIS 4 13.355 -23.302 -11.152 29 HE1 HIS 4 HE1 HIS 4 12.921 -26.946 -9.029 30 HE2 HIS 4 HE2 HIS 4 12.610 -25.776 -11.229 31 H HIS 5 H HIS 5 13.036 -19.103 -8.078 32 HA HIS 5 HA HIS 5 14.379 -18.721 -5.550 33 HB2 HIS 5 2HB HIS 5 13.412 -16.780 -7.651 34 HB3 HIS 5 3HB HIS 5 14.183 -16.262 -6.157 35 HD1 HIS 5 HD1 HIS 5 15.201 -16.240 -9.339 36 HD2 HIS 5 HD2 HIS 5 16.661 -18.395 -6.099 37 HE1 HIS 5 HE1 HIS 5 17.570 -16.815 -9.926 38 HE2 HIS 5 HE2 HIS 5 18.470 -17.999 -7.898 39 H HIS 6 H HIS 6 11.142 -17.898 -6.823 40 HA HIS 6 HA HIS 6 10.095 -17.928 -4.117 41 HB2 HIS 6 2HB HIS 6 9.026 -15.679 -4.324 42 HB3 HIS 6 3HB HIS 6 10.779 -15.622 -4.218 43 HD1 HIS 6 HD1 HIS 6 11.828 -14.083 -5.826 44 HD2 HIS 6 HD2 HIS 6 8.175 -15.484 -7.227 45 HE1 HIS 6 HE1 HIS 6 11.440 -12.896 -7.998 46 HE2 HIS 6 HE2 HIS 6 9.298 -13.853 -8.888 47 H HIS 7 H HIS 7 7.854 -18.219 -3.972 48 HA HIS 7 HA HIS 7 6.576 -19.072 -6.476 49 HB2 HIS 7 2HB HIS 7 4.914 -20.200 -5.021 50 HB3 HIS 7 3HB HIS 7 6.560 -20.733 -4.711 51 HD1 HIS 7 HD1 HIS 7 3.621 -19.224 -3.097 52 HD2 HIS 7 HD2 HIS 7 7.638 -19.793 -2.211 53 HE1 HIS 7 HE1 HIS 7 3.828 -18.821 -0.631 54 HE2 HIS 7 HE2 HIS 7 6.236 -19.299 -0.098 55 H HIS 8 H HIS 8 4.902 -18.016 -7.396 56 HA HIS 8 HA HIS 8 4.345 -15.355 -6.393 57 HB2 HIS 8 2HB HIS 8 3.266 -14.981 -8.570 58 HB3 HIS 8 3HB HIS 8 4.878 -15.658 -8.754 59 HD1 HIS 8 HD1 HIS 8 1.249 -16.798 -8.844 60 HD2 HIS 8 HD2 HIS 8 4.978 -17.874 -10.335 61 HE1 HIS 8 HE1 HIS 8 0.821 -18.692 -10.433 62 HE2 HIS 8 HE2 HIS 8 3.098 -19.386 -11.253 63 H SER 9 H SER 9 3.107 -17.434 -4.806 64 HA SER 9 HA SER 9 0.443 -16.339 -4.723 65 HB2 SER 9 2HB SER 9 0.038 -18.052 -6.406 66 HB3 SER 9 3HB SER 9 0.778 -19.280 -5.376 67 HG SER 9 HG SER 9 -1.734 -18.645 -5.441 68 H HIS 10 H HIS 10 -0.662 -16.773 -2.781 69 HA HIS 10 HA HIS 10 -0.744 -16.949 -0.516 70 HB2 HIS 10 2HB HIS 10 0.358 -19.643 -1.298 71 HB3 HIS 10 3HB HIS 10 -0.128 -19.263 0.352 72 HD1 HIS 10 HD1 HIS 10 -2.611 -19.172 0.863 73 HD2 HIS 10 HD2 HIS 10 -1.787 -19.843 -3.153 74 HE1 HIS 10 HE1 HIS 10 -4.807 -19.800 -0.176 75 HE2 HIS 10 HE2 HIS 10 -4.310 -20.063 -2.625 76 HA PRO 11 HA PRO 11 3.691 -16.110 0.587 77 HB2 PRO 11 2HB PRO 11 3.791 -13.445 0.438 78 HB3 PRO 11 3HB PRO 11 3.971 -14.433 -1.019 79 HG2 PRO 11 2HG PRO 11 1.572 -12.930 -0.033 80 HG3 PRO 11 3HG PRO 11 2.191 -13.084 -1.687 81 HD2 PRO 11 2HD PRO 11 0.110 -14.589 -0.610 82 HD3 PRO 11 3HD PRO 11 1.064 -15.042 -2.037 83 H ASN 12 H ASN 12 4.028 -16.023 2.772 84 HA ASN 12 HA ASN 12 1.917 -15.559 4.584 85 HB2 ASN 12 2HB ASN 12 4.883 -15.558 5.194 86 HB3 ASN 12 3HB ASN 12 3.581 -15.801 6.353 87 HD21 ASN 12 1HD2 ASN 12 4.107 -17.827 6.988 88 HD22 ASN 12 2HD2 ASN 12 4.092 -19.202 5.949 89 H GLU 13 H GLU 13 2.256 -14.005 6.550 90 HA GLU 13 HA GLU 13 1.777 -11.404 5.820 91 HB2 GLU 13 2HB GLU 13 1.354 -12.325 8.067 92 HB3 GLU 13 3HB GLU 13 3.082 -12.343 8.389 93 HG2 GLU 13 2HG GLU 13 3.074 -9.852 8.078 94 HG3 GLU 13 3HG GLU 13 1.314 -9.936 8.003 95 H GLU 14 H GLU 14 4.897 -12.677 6.961 96 HA GLU 14 HA GLU 14 6.395 -10.328 6.728 97 HB2 GLU 14 2HB GLU 14 7.383 -13.176 6.414 98 HB3 GLU 14 3HB GLU 14 8.349 -11.777 6.870 99 HG2 GLU 14 2HG GLU 14 7.116 -11.560 8.948 100 HG3 GLU 14 3HG GLU 14 6.056 -12.887 8.486 101 H ALA 15 H ALA 15 6.032 -13.000 4.388 102 HA ALA 15 HA ALA 15 7.779 -12.020 2.422 103 HB1 ALA 15 3HB ALA 15 6.991 -14.333 2.485 104 HB2 ALA 15 1HB ALA 15 6.689 -13.598 0.911 105 HB3 ALA 15 2HB ALA 15 5.366 -13.797 2.060 106 H ARG 16 H ARG 16 4.211 -11.694 2.626 107 HA ARG 16 HA ARG 16 3.962 -10.122 0.281 108 HB2 ARG 16 2HB ARG 16 1.705 -9.627 1.011 109 HB3 ARG 16 3HB ARG 16 2.063 -11.321 1.315 110 HG2 ARG 16 2HG ARG 16 2.509 -10.751 3.694 111 HG3 ARG 16 3HG ARG 16 1.999 -9.097 3.352 112 HD2 ARG 16 2HD ARG 16 0.160 -10.325 4.332 113 HD3 ARG 16 3HD ARG 16 -0.213 -9.961 2.647 114 HE ARG 16 HE ARG 16 0.966 -12.492 2.747 115 HH11 ARG 16 1HH1 ARG 16 -1.933 -10.955 3.798 116 HH12 ARG 16 2HH1 ARG 16 -2.863 -12.404 3.688 117 HH21 ARG 16 1HH2 ARG 16 -0.232 -14.341 2.644 118 HH22 ARG 16 2HH2 ARG 16 -1.910 -14.303 3.068 119 H LEU 17 H LEU 17 4.592 -9.316 3.630 120 HA LEU 17 HA LEU 17 4.334 -6.521 3.484 121 HB2 LEU 17 2HB LEU 17 4.473 -7.692 5.598 122 HB3 LEU 17 3HB LEU 17 6.082 -8.272 5.217 123 HG LEU 17 HG LEU 17 6.982 -6.025 5.402 124 HD11 LEU 17 1HD1 LEU 17 4.165 -5.151 5.996 125 HD12 LEU 17 2HD1 LEU 17 5.104 -4.755 4.554 126 HD13 LEU 17 3HD1 LEU 17 5.608 -4.145 6.130 127 HD21 LEU 17 3HD2 LEU 17 6.824 -7.374 7.439 128 HD22 LEU 17 1HD2 LEU 17 5.229 -6.695 7.761 129 HD23 LEU 17 2HD2 LEU 17 6.653 -5.653 7.786 130 H ASP 18 H ASP 18 7.099 -8.659 2.780 131 HA ASP 18 HA ASP 18 9.039 -6.712 2.288 132 HB2 ASP 18 2HB ASP 18 8.638 -9.471 1.139 133 HB3 ASP 18 3HB ASP 18 10.017 -8.471 0.689 134 H ILE 19 H ILE 19 6.596 -8.039 0.080 135 HA ILE 19 HA ILE 19 7.417 -6.759 -2.277 136 HB ILE 19 HB ILE 19 4.529 -7.254 -1.518 137 HG12 ILE 19 2HG1 ILE 19 6.439 -9.243 -2.787 138 HG13 ILE 19 3HG1 ILE 19 5.965 -9.274 -1.092 139 HG21 ILE 19 1HG2 ILE 19 4.853 -5.973 -3.565 140 HG22 ILE 19 2HG2 ILE 19 4.231 -7.580 -3.938 141 HG23 ILE 19 3HG2 ILE 19 5.939 -7.214 -4.194 142 HD11 ILE 19 3HD1 ILE 19 4.133 -9.611 -3.457 143 HD12 ILE 19 1HD1 ILE 19 3.629 -9.594 -1.766 144 HD13 ILE 19 2HD1 ILE 19 4.685 -10.878 -2.361 145 H LEU 20 H LEU 20 5.174 -5.679 0.263 146 HA LEU 20 HA LEU 20 4.480 -3.182 -0.795 147 HB2 LEU 20 2HB LEU 20 4.674 -4.172 2.050 148 HB3 LEU 20 3HB LEU 20 4.047 -2.584 1.643 149 HG LEU 20 HG LEU 20 2.856 -5.107 0.489 150 HD11 LEU 20 1HD1 LEU 20 2.735 -5.285 2.924 151 HD12 LEU 20 2HD1 LEU 20 1.143 -5.021 2.214 152 HD13 LEU 20 3HD1 LEU 20 1.986 -3.689 3.009 153 HD21 LEU 20 3HD2 LEU 20 2.317 -3.028 -0.669 154 HD22 LEU 20 1HD2 LEU 20 1.774 -2.307 0.847 155 HD23 LEU 20 2HD2 LEU 20 0.896 -3.670 0.151 156 H LYS 21 H LYS 21 7.159 -4.049 1.398 157 HA LYS 21 HA LYS 21 8.273 -1.542 1.847 158 HB2 LYS 21 2HB LYS 21 9.794 -4.114 1.361 159 HB3 LYS 21 3HB LYS 21 10.419 -2.690 2.173 160 HG2 LYS 21 2HG LYS 21 8.970 -3.032 4.047 161 HG3 LYS 21 3HG LYS 21 8.101 -4.323 3.203 162 HD2 LYS 21 2HD LYS 21 10.203 -5.628 3.109 163 HD3 LYS 21 3HD LYS 21 11.013 -4.367 4.037 164 HE2 LYS 21 2HE LYS 21 9.564 -4.799 5.932 165 HE3 LYS 21 3HE LYS 21 8.643 -5.970 4.991 166 HZ1 LYS 21 3HZ LYS 21 11.509 -6.225 5.711 167 HZ2 LYS 21 1HZ LYS 21 10.612 -7.343 4.814 168 HZ3 LYS 21 2HZ LYS 21 10.233 -7.066 6.436 169 H ILE 22 H ILE 22 9.154 -3.835 -0.735 170 HA ILE 22 HA ILE 22 11.142 -2.238 -1.918 171 HB ILE 22 HB ILE 22 9.524 -4.464 -3.177 172 HG12 ILE 22 2HG1 ILE 22 12.207 -4.539 -1.755 173 HG13 ILE 22 3HG1 ILE 22 10.686 -5.130 -1.093 174 HG21 ILE 22 1HG2 ILE 22 11.432 -4.707 -4.714 175 HG22 ILE 22 2HG2 ILE 22 12.187 -3.286 -3.990 176 HG23 ILE 22 3HG2 ILE 22 10.664 -3.127 -4.866 177 HD11 ILE 22 3HD1 ILE 22 12.095 -6.221 -3.521 178 HD12 ILE 22 1HD1 ILE 22 10.574 -6.817 -2.853 179 HD13 ILE 22 2HD1 ILE 22 12.061 -6.950 -1.915 180 H HIS 23 H HIS 23 7.681 -2.510 -2.673 181 HA HIS 23 HA HIS 23 7.983 -1.021 -5.131 182 HB2 HIS 23 2HB HIS 23 5.589 -2.186 -3.716 183 HB3 HIS 23 3HB HIS 23 5.443 -1.227 -5.187 184 HD1 HIS 23 HD1 HIS 23 5.526 -2.518 -7.293 185 HD2 HIS 23 HD2 HIS 23 7.377 -4.557 -4.179 186 HE1 HIS 23 HE1 HIS 23 6.180 -4.746 -8.244 187 HE2 HIS 23 HE2 HIS 23 7.189 -6.008 -6.318 188 H SER 24 H SER 24 7.053 -0.202 -1.832 189 HA SER 24 HA SER 24 5.987 2.396 -2.725 190 HB2 SER 24 2HB SER 24 5.126 2.657 -0.464 191 HB3 SER 24 3HB SER 24 4.680 1.065 -1.074 192 HG SER 24 HG SER 24 5.884 0.158 0.402 193 H ARG 25 H ARG 25 8.952 1.250 -2.022 194 HA ARG 25 HA ARG 25 10.063 2.688 0.035 195 HB2 ARG 25 2HB ARG 25 12.237 2.327 -1.047 196 HB3 ARG 25 3HB ARG 25 11.227 0.887 -1.124 197 HG2 ARG 25 2HG ARG 25 10.611 1.504 -3.454 198 HG3 ARG 25 3HG ARG 25 11.758 2.843 -3.358 199 HD2 ARG 25 2HD ARG 25 12.435 -0.086 -3.038 200 HD3 ARG 25 3HD ARG 25 12.707 0.875 -4.490 201 HE ARG 25 HE ARG 25 13.998 2.131 -2.349 202 HH11 ARG 25 1HH1 ARG 25 14.247 -0.712 -4.288 203 HH12 ARG 25 2HH1 ARG 25 15.949 -0.869 -4.017 204 HH21 ARG 25 1HH2 ARG 25 16.191 1.925 -2.041 205 HH22 ARG 25 2HH2 ARG 25 17.033 0.604 -2.779 206 H LYS 26 H LYS 26 9.320 3.965 -3.169 207 HA LYS 26 HA LYS 26 11.053 6.281 -2.746 208 HB2 LYS 26 2HB LYS 26 9.456 5.379 -5.139 209 HB3 LYS 26 3HB LYS 26 10.326 6.907 -5.086 210 HG2 LYS 26 2HG LYS 26 12.409 5.559 -4.586 211 HG3 LYS 26 3HG LYS 26 11.465 4.122 -4.997 212 HD2 LYS 26 2HD LYS 26 11.054 4.978 -7.226 213 HD3 LYS 26 3HD LYS 26 11.849 6.500 -6.825 214 HE2 LYS 26 2HE LYS 26 13.947 5.172 -6.401 215 HE3 LYS 26 3HE LYS 26 13.113 3.776 -7.087 216 HZ1 LYS 26 3HZ LYS 26 12.813 5.028 -9.143 217 HZ2 LYS 26 1HZ LYS 26 14.452 4.895 -8.748 218 HZ3 LYS 26 2HZ LYS 26 13.632 6.350 -8.480 219 H MET 27 H MET 27 7.860 5.579 -1.986 220 HA MET 27 HA MET 27 6.820 8.221 -2.669 221 HB2 MET 27 2HB MET 27 5.479 5.883 -1.289 222 HB3 MET 27 3HB MET 27 4.680 7.384 -1.742 223 HG2 MET 27 2HG MET 27 5.359 6.881 -4.125 224 HG3 MET 27 3HG MET 27 5.825 5.279 -3.556 225 HE1 MET 27 3HE MET 27 2.354 3.920 -2.234 226 HE2 MET 27 1HE MET 27 3.543 4.817 -1.291 227 HE3 MET 27 2HE MET 27 4.073 3.565 -2.414 228 H ASN 28 H ASN 28 6.026 9.729 -1.153 229 HA ASN 28 HA ASN 28 7.595 9.999 1.211 230 HB2 ASN 28 2HB ASN 28 5.129 11.553 0.377 231 HB3 ASN 28 3HB ASN 28 6.276 12.032 1.623 232 HD21 ASN 28 1HD2 ASN 28 5.474 13.406 -0.802 233 HD22 ASN 28 2HD2 ASN 28 6.925 13.682 -1.694 234 H LEU 29 H LEU 29 6.957 7.886 2.180 235 HA LEU 29 HA LEU 29 4.281 7.490 3.125 236 HB2 LEU 29 2HB LEU 29 6.811 6.107 4.038 237 HB3 LEU 29 3HB LEU 29 5.167 5.536 4.260 238 HG LEU 29 HG LEU 29 6.678 5.747 1.651 239 HD11 LEU 29 1HD1 LEU 29 7.295 3.825 3.015 240 HD12 LEU 29 2HD1 LEU 29 6.407 3.323 1.578 241 HD13 LEU 29 3HD1 LEU 29 5.599 3.358 3.146 242 HD21 LEU 29 3HD2 LEU 29 3.802 4.960 2.125 243 HD22 LEU 29 1HD2 LEU 29 4.676 4.767 0.604 244 HD23 LEU 29 2HD2 LEU 29 4.376 6.380 1.250 245 H THR 30 H THR 30 3.380 7.951 5.087 246 HA THR 30 HA THR 30 4.506 9.876 6.799 247 HB THR 30 HB THR 30 2.088 9.503 6.736 248 HG1 THR 30 HG1 THR 30 2.516 8.848 9.385 249 HG21 THR 30 3HG2 THR 30 2.649 6.910 8.188 250 HG22 THR 30 1HG2 THR 30 2.085 7.054 6.522 251 HG23 THR 30 2HG2 THR 30 1.057 7.590 7.850 252 H ARG 31 H ARG 31 5.725 9.770 8.639 253 HA ARG 31 HA ARG 31 7.314 7.456 9.038 254 HB2 ARG 31 2HB ARG 31 7.021 9.892 10.814 255 HB3 ARG 31 3HB ARG 31 8.301 8.688 10.928 256 HG2 ARG 31 2HG ARG 31 8.978 9.282 8.596 257 HG3 ARG 31 3HG ARG 31 7.794 10.589 8.638 258 HD2 ARG 31 2HD ARG 31 10.022 11.429 9.153 259 HD3 ARG 31 3HD ARG 31 8.962 11.580 10.554 260 HE ARG 31 HE ARG 31 10.116 9.749 11.569 261 HH11 ARG 31 1HH1 ARG 31 11.559 10.878 8.651 262 HH12 ARG 31 2HH1 ARG 31 13.092 10.165 9.009 263 HH21 ARG 31 1HH2 ARG 31 12.082 8.835 12.009 264 HH22 ARG 31 2HH2 ARG 31 13.388 9.028 10.891 265 H GLY 32 H GLY 32 7.199 5.810 10.486 266 HA2 GLY 32 2HA GLY 32 6.387 4.509 12.234 267 HA3 GLY 32 3HA GLY 32 5.342 5.838 12.709 268 H ILE 33 H ILE 33 5.180 4.870 9.401 269 HA ILE 33 HA ILE 33 2.446 4.084 9.617 270 HB ILE 33 HB ILE 33 3.286 5.180 7.605 271 HG12 ILE 33 2HG1 ILE 33 2.345 2.353 7.032 272 HG13 ILE 33 3HG1 ILE 33 1.307 3.723 7.411 273 HG21 ILE 33 1HG2 ILE 33 4.750 4.035 6.017 274 HG22 ILE 33 2HG2 ILE 33 4.890 2.665 7.120 275 HG23 ILE 33 3HG2 ILE 33 5.541 4.239 7.580 276 HD11 ILE 33 3HD1 ILE 33 1.309 3.265 5.038 277 HD12 ILE 33 1HD1 ILE 33 3.062 3.448 4.980 278 HD13 ILE 33 2HD1 ILE 33 2.042 4.837 5.360 279 H ASN 34 H ASN 34 1.581 2.110 10.001 280 HA ASN 34 HA ASN 34 3.381 -0.184 10.228 281 HB2 ASN 34 2HB ASN 34 1.845 0.265 12.097 282 HB3 ASN 34 3HB ASN 34 0.468 0.080 11.015 283 HD21 ASN 34 1HD2 ASN 34 -0.353 -1.625 12.243 284 HD22 ASN 34 2HD2 ASN 34 0.359 -3.202 12.221 285 H LEU 35 H LEU 35 3.771 -0.875 8.160 286 HA LEU 35 HA LEU 35 1.746 -1.212 6.187 287 HB2 LEU 35 2HB LEU 35 4.526 -2.389 6.352 288 HB3 LEU 35 3HB LEU 35 3.493 -2.461 4.936 289 HG LEU 35 HG LEU 35 4.592 0.069 6.182 290 HD11 LEU 35 1HD1 LEU 35 6.328 -1.232 5.077 291 HD12 LEU 35 2HD1 LEU 35 5.959 0.224 4.156 292 HD13 LEU 35 3HD1 LEU 35 5.345 -1.340 3.617 293 HD21 LEU 35 3HD2 LEU 35 2.415 0.459 5.170 294 HD22 LEU 35 1HD2 LEU 35 2.940 -0.328 3.681 295 HD23 LEU 35 2HD2 LEU 35 3.684 1.188 4.191 296 H ARG 36 H ARG 36 2.767 -3.195 8.835 297 HA ARG 36 HA ARG 36 1.981 -5.732 7.883 298 HB2 ARG 36 2HB ARG 36 3.271 -5.604 9.907 299 HB3 ARG 36 3HB ARG 36 2.051 -4.609 10.691 300 HG2 ARG 36 2HG ARG 36 0.484 -6.503 10.639 301 HG3 ARG 36 3HG ARG 36 1.725 -7.498 9.877 302 HD2 ARG 36 2HD ARG 36 3.109 -7.383 11.826 303 HD3 ARG 36 3HD ARG 36 2.062 -6.171 12.566 304 HE ARG 36 HE ARG 36 0.363 -8.193 12.276 305 HH11 ARG 36 1HH1 ARG 36 3.613 -8.233 13.419 306 HH12 ARG 36 2HH1 ARG 36 3.329 -9.526 14.527 307 HH21 ARG 36 1HH2 ARG 36 0.003 -9.849 13.704 308 HH22 ARG 36 2HH2 ARG 36 1.294 -10.422 14.701 309 H LYS 37 H LYS 37 0.136 -3.288 9.721 310 HA LYS 37 HA LYS 37 -2.285 -4.625 9.946 311 HB2 LYS 37 2HB LYS 37 -1.613 -2.422 10.998 312 HB3 LYS 37 3HB LYS 37 -1.962 -1.650 9.463 313 HG2 LYS 37 2HG LYS 37 -4.089 -3.275 10.785 314 HG3 LYS 37 3HG LYS 37 -3.719 -1.666 11.401 315 HD2 LYS 37 2HD LYS 37 -4.011 -0.859 8.987 316 HD3 LYS 37 3HD LYS 37 -4.737 -2.438 8.671 317 HE2 LYS 37 2HE LYS 37 -6.412 -2.027 10.399 318 HE3 LYS 37 3HE LYS 37 -5.670 -0.472 10.764 319 HZ1 LYS 37 3HZ LYS 37 -6.174 0.171 8.425 320 HZ2 LYS 37 1HZ LYS 37 -7.537 -0.081 9.390 321 HZ3 LYS 37 2HZ LYS 37 -7.075 -1.252 8.272 322 H ILE 38 H ILE 38 -1.021 -2.699 7.277 323 HA ILE 38 HA ILE 38 -3.282 -2.875 5.577 324 HB ILE 38 HB ILE 38 -0.377 -2.574 4.766 325 HG12 ILE 38 2HG1 ILE 38 -0.956 -0.879 6.422 326 HG13 ILE 38 3HG1 ILE 38 -0.811 -0.134 4.834 327 HG21 ILE 38 1HG2 ILE 38 -1.820 -3.108 2.888 328 HG22 ILE 38 2HG2 ILE 38 -1.299 -1.426 2.786 329 HG23 ILE 38 3HG2 ILE 38 -2.929 -1.810 3.338 330 HD11 ILE 38 3HD1 ILE 38 -3.385 -0.853 6.218 331 HD12 ILE 38 1HD1 ILE 38 -3.241 -0.102 4.628 332 HD13 ILE 38 2HD1 ILE 38 -2.696 0.763 6.065 333 H ALA 39 H ALA 39 -0.322 -4.833 5.829 334 HA ALA 39 HA ALA 39 -0.809 -6.575 3.677 335 HB1 ALA 39 3HB ALA 39 1.382 -6.358 4.716 336 HB2 ALA 39 1HB ALA 39 0.856 -8.040 4.726 337 HB3 ALA 39 2HB ALA 39 0.766 -7.081 6.203 338 H GLU 40 H GLU 40 -1.834 -6.730 7.055 339 HA GLU 40 HA GLU 40 -2.905 -9.369 6.925 340 HB2 GLU 40 2HB GLU 40 -3.493 -7.113 8.859 341 HB3 GLU 40 3HB GLU 40 -4.032 -8.775 9.067 342 HG2 GLU 40 2HG GLU 40 -1.600 -9.451 9.016 343 HG3 GLU 40 3HG GLU 40 -1.207 -7.733 9.096 344 H LEU 41 H LEU 41 -4.072 -6.325 5.833 345 HA LEU 41 HA LEU 41 -6.869 -7.064 5.777 346 HB2 LEU 41 2HB LEU 41 -5.414 -4.805 4.384 347 HB3 LEU 41 3HB LEU 41 -7.157 -4.992 4.467 348 HG LEU 41 HG LEU 41 -5.313 -4.485 6.808 349 HD11 LEU 41 1HD1 LEU 41 -6.438 -2.324 6.941 350 HD12 LEU 41 2HD1 LEU 41 -7.364 -2.710 5.490 351 HD13 LEU 41 3HD1 LEU 41 -5.612 -2.525 5.396 352 HD21 LEU 41 3HD2 LEU 41 -7.407 -4.235 8.106 353 HD22 LEU 41 1HD2 LEU 41 -7.147 -5.879 7.522 354 HD23 LEU 41 2HD2 LEU 41 -8.309 -4.830 6.712 355 H MET 42 H MET 42 -4.207 -7.909 3.944 356 HA MET 42 HA MET 42 -5.704 -8.261 1.430 357 HB2 MET 42 2HB MET 42 -2.735 -8.499 2.006 358 HB3 MET 42 3HB MET 42 -3.483 -8.632 0.420 359 HG2 MET 42 2HG MET 42 -3.762 -6.153 2.090 360 HG3 MET 42 3HG MET 42 -2.372 -6.421 1.041 361 HE1 MET 42 3HE MET 42 -3.510 -7.858 -1.486 362 HE2 MET 42 1HE MET 42 -2.417 -6.474 -1.515 363 HE3 MET 42 2HE MET 42 -3.881 -6.467 -2.501 364 HA PRO 43 HA PRO 43 -5.837 -12.536 3.189 365 HB2 PRO 43 2HB PRO 43 -8.024 -13.351 1.759 366 HB3 PRO 43 3HB PRO 43 -8.121 -12.469 3.287 367 HG2 PRO 43 2HG PRO 43 -8.372 -11.434 0.484 368 HG3 PRO 43 3HG PRO 43 -9.336 -11.031 1.917 369 HD2 PRO 43 2HD PRO 43 -7.364 -9.417 1.006 370 HD3 PRO 43 3HD PRO 43 -7.746 -9.566 2.732 371 H GLY 44 H GLY 44 -7.161 -12.789 -0.100 372 HA2 GLY 44 2HA GLY 44 -5.113 -14.765 -0.744 373 HA3 GLY 44 3HA GLY 44 -6.552 -14.408 -1.683 374 H ALA 45 H ALA 45 -3.758 -12.490 -0.585 375 HA ALA 45 HA ALA 45 -3.668 -11.181 -3.201 376 HB1 ALA 45 3HB ALA 45 -3.670 -9.807 -1.164 377 HB2 ALA 45 1HB ALA 45 -2.221 -9.552 -2.137 378 HB3 ALA 45 2HB ALA 45 -2.141 -10.539 -0.678 379 H SER 46 H SER 46 -1.728 -10.926 -4.400 380 HA SER 46 HA SER 46 0.639 -12.455 -3.600 381 HB2 SER 46 2HB SER 46 -0.696 -12.767 -6.312 382 HB3 SER 46 3HB SER 46 0.868 -13.449 -5.865 383 HG SER 46 HG SER 46 -1.027 -14.119 -4.053 384 H GLY 47 H GLY 47 2.073 -12.043 -6.038 385 HA2 GLY 47 2HA GLY 47 3.231 -9.566 -5.567 386 HA3 GLY 47 3HA GLY 47 3.395 -10.468 -7.062 387 H ALA 48 H ALA 48 0.900 -10.363 -8.159 388 HA ALA 48 HA ALA 48 0.839 -7.798 -9.327 389 HB1 ALA 48 3HB ALA 48 -1.297 -9.931 -9.345 390 HB2 ALA 48 1HB ALA 48 0.042 -9.793 -10.484 391 HB3 ALA 48 2HB ALA 48 -1.210 -8.551 -10.442 392 H GLU 49 H GLU 49 -1.232 -9.250 -6.826 393 HA GLU 49 HA GLU 49 -3.095 -7.129 -6.641 394 HB2 GLU 49 2HB GLU 49 -2.286 -9.232 -4.617 395 HB3 GLU 49 3HB GLU 49 -3.614 -8.107 -4.371 396 HG2 GLU 49 2HG GLU 49 -4.414 -10.283 -5.124 397 HG3 GLU 49 3HG GLU 49 -4.782 -9.020 -6.296 398 H VAL 50 H VAL 50 -0.203 -7.853 -4.680 399 HA VAL 50 HA VAL 50 -0.446 -5.601 -2.982 400 HB VAL 50 HB VAL 50 2.046 -7.166 -3.694 401 HG11 VAL 50 1HG1 VAL 50 1.482 -5.333 -1.359 402 HG12 VAL 50 2HG1 VAL 50 2.593 -5.012 -2.692 403 HG13 VAL 50 3HG1 VAL 50 2.927 -6.322 -1.560 404 HG21 VAL 50 3HG2 VAL 50 0.093 -7.516 -1.410 405 HG22 VAL 50 1HG2 VAL 50 1.605 -8.402 -1.608 406 HG23 VAL 50 2HG2 VAL 50 0.302 -8.609 -2.780 407 H LYS 51 H LYS 51 1.338 -6.104 -6.018 408 HA LYS 51 HA LYS 51 2.657 -3.639 -6.165 409 HB2 LYS 51 2HB LYS 51 2.982 -5.622 -7.691 410 HB3 LYS 51 3HB LYS 51 1.491 -5.178 -8.506 411 HG2 LYS 51 2HG LYS 51 3.784 -3.246 -8.291 412 HG3 LYS 51 3HG LYS 51 3.730 -4.470 -9.556 413 HD2 LYS 51 2HD LYS 51 1.608 -3.562 -10.364 414 HD3 LYS 51 3HD LYS 51 1.607 -2.370 -9.065 415 HE2 LYS 51 2HE LYS 51 3.661 -1.383 -9.967 416 HE3 LYS 51 3HE LYS 51 3.670 -2.580 -11.261 417 HZ1 LYS 51 3HZ LYS 51 1.668 -1.676 -12.142 418 HZ2 LYS 51 1HZ LYS 51 2.742 -0.392 -11.902 419 HZ3 LYS 51 2HZ LYS 51 1.463 -0.643 -10.822 420 H GLY 52 H GLY 52 -0.620 -4.543 -7.189 421 HA2 GLY 52 2HA GLY 52 -1.432 -2.071 -8.261 422 HA3 GLY 52 3HA GLY 52 -2.504 -3.282 -7.574 423 H VAL 53 H VAL 53 -1.800 -3.327 -4.934 424 HA VAL 53 HA VAL 53 -3.048 -1.076 -3.820 425 HB VAL 53 HB VAL 53 -1.201 -3.084 -2.499 426 HG11 VAL 53 1HG1 VAL 53 -1.342 -1.066 -1.136 427 HG12 VAL 53 2HG1 VAL 53 -2.228 -2.387 -0.375 428 HG13 VAL 53 3HG1 VAL 53 -3.103 -1.110 -1.221 429 HG21 VAL 53 3HG2 VAL 53 -3.161 -4.113 -3.492 430 HG22 VAL 53 1HG2 VAL 53 -4.215 -2.948 -2.685 431 HG23 VAL 53 2HG2 VAL 53 -3.303 -4.122 -1.734 432 H CYS 54 H CYS 54 0.415 -1.851 -4.100 433 HA CYS 54 HA CYS 54 1.416 0.398 -2.731 434 HB2 CYS 54 2HB CYS 54 2.703 -1.146 -4.999 435 HB3 CYS 54 3HB CYS 54 3.539 -0.051 -3.904 436 HG CYS 54 HG CYS 54 1.882 -2.751 -2.654 437 H THR 55 H THR 55 0.498 -0.055 -6.109 438 HA THR 55 HA THR 55 1.459 2.481 -7.022 439 HB THR 55 HB THR 55 -0.643 0.670 -8.251 440 HG1 THR 55 HG1 THR 55 1.247 -0.452 -8.290 441 HG21 THR 55 3HG2 THR 55 0.935 2.932 -9.500 442 HG22 THR 55 1HG2 THR 55 -0.785 2.970 -9.114 443 HG23 THR 55 2HG2 THR 55 -0.182 1.859 -10.344 444 H GLU 56 H GLU 56 -1.833 1.280 -6.274 445 HA GLU 56 HA GLU 56 -3.129 3.743 -6.701 446 HB2 GLU 56 2HB GLU 56 -3.909 1.217 -5.280 447 HB3 GLU 56 3HB GLU 56 -4.939 2.639 -5.169 448 HG2 GLU 56 2HG GLU 56 -4.106 1.259 -7.719 449 HG3 GLU 56 3HG GLU 56 -5.681 1.133 -6.934 450 H ALA 57 H ALA 57 -1.523 2.451 -3.844 451 HA ALA 57 HA ALA 57 -2.519 4.141 -1.875 452 HB1 ALA 57 3HB ALA 57 -0.964 2.294 -1.431 453 HB2 ALA 57 1HB ALA 57 -0.410 3.800 -0.698 454 HB3 ALA 57 2HB ALA 57 0.342 3.213 -2.182 455 H GLY 58 H GLY 58 0.229 4.757 -4.081 456 HA2 GLY 58 2HA GLY 58 0.628 7.456 -3.256 457 HA3 GLY 58 3HA GLY 58 1.213 6.734 -4.748 458 H MET 59 H MET 59 -1.435 5.955 -5.682 459 HA MET 59 HA MET 59 -2.161 8.359 -7.024 460 HB2 MET 59 2HB MET 59 -3.694 5.754 -6.891 461 HB3 MET 59 3HB MET 59 -3.931 7.040 -8.066 462 HG2 MET 59 2HG MET 59 -1.251 5.741 -7.854 463 HG3 MET 59 3HG MET 59 -2.559 4.899 -8.677 464 HE1 MET 59 3HE MET 59 -0.131 7.912 -8.649 465 HE2 MET 59 1HE MET 59 -1.639 8.830 -8.643 466 HE3 MET 59 2HE MET 59 -0.604 8.842 -10.072 467 H TYR 60 H TYR 60 -3.444 6.695 -4.209 468 HA TYR 60 HA TYR 60 -5.822 8.232 -3.948 469 HB2 TYR 60 2HB TYR 60 -4.280 6.392 -2.173 470 HB3 TYR 60 3HB TYR 60 -5.407 7.502 -1.404 471 HD1 TYR 60 HD2 TYR 60 -7.815 7.350 -1.866 472 HD2 TYR 60 HD1 TYR 60 -5.086 4.511 -3.482 473 HE1 TYR 60 HE2 TYR 60 -9.686 5.836 -2.351 474 HE2 TYR 60 HE1 TYR 60 -6.955 2.992 -3.974 475 HH TYR 60 HH TYR 60 -9.287 2.602 -3.093 476 H ALA 61 H ALA 61 -2.622 8.496 -2.401 477 HA ALA 61 HA ALA 61 -2.997 10.837 -0.975 478 HB1 ALA 61 3HB ALA 61 -0.978 9.433 -0.848 479 HB2 ALA 61 1HB ALA 61 -0.587 11.138 -1.087 480 HB3 ALA 61 2HB ALA 61 -0.489 10.012 -2.441 481 H LEU 62 H LEU 62 -1.667 10.598 -4.293 482 HA LEU 62 HA LEU 62 -1.515 13.345 -4.772 483 HB2 LEU 62 2HB LEU 62 -1.877 11.090 -6.747 484 HB3 LEU 62 3HB LEU 62 -1.441 12.734 -7.181 485 HG LEU 62 HG LEU 62 0.215 10.854 -5.486 486 HD11 LEU 62 1HD1 LEU 62 0.646 11.891 -8.288 487 HD12 LEU 62 2HD1 LEU 62 0.212 10.240 -7.843 488 HD13 LEU 62 3HD1 LEU 62 1.778 10.896 -7.369 489 HD21 LEU 62 3HD2 LEU 62 0.481 13.178 -4.767 490 HD22 LEU 62 1HD2 LEU 62 0.830 13.657 -6.429 491 HD23 LEU 62 2HD2 LEU 62 1.937 12.588 -5.566 492 H ARG 63 H ARG 63 -4.257 11.129 -5.392 493 HA ARG 63 HA ARG 63 -5.803 13.065 -6.797 494 HB2 ARG 63 2HB ARG 63 -7.620 11.543 -6.707 495 HB3 ARG 63 3HB ARG 63 -6.170 10.565 -6.867 496 HG2 ARG 63 2HG ARG 63 -6.235 10.112 -4.446 497 HG3 ARG 63 3HG ARG 63 -7.729 11.042 -4.329 498 HD2 ARG 63 2HD ARG 63 -8.267 8.696 -4.431 499 HD3 ARG 63 3HD ARG 63 -8.780 9.463 -5.932 500 HE ARG 63 HE ARG 63 -6.295 8.530 -6.500 501 HH11 ARG 63 1HH1 ARG 63 -9.155 7.078 -5.227 502 HH12 ARG 63 2HH1 ARG 63 -8.798 5.527 -5.898 503 HH21 ARG 63 1HH2 ARG 63 -5.839 6.521 -7.339 504 HH22 ARG 63 2HH2 ARG 63 -6.917 5.203 -7.062 505 H GLU 64 H GLU 64 -5.448 12.315 -3.378 506 HA GLU 64 HA GLU 64 -7.485 14.286 -2.649 507 HB2 GLU 64 2HB GLU 64 -5.743 12.447 -0.997 508 HB3 GLU 64 3HB GLU 64 -6.786 13.668 -0.280 509 HG2 GLU 64 2HG GLU 64 -8.732 12.599 -1.370 510 HG3 GLU 64 3HG GLU 64 -7.662 11.340 -1.983 511 H ARG 65 H ARG 65 -4.536 14.634 -3.801 512 HA ARG 65 HA ARG 65 -3.015 16.310 -3.858 513 HB2 ARG 65 2HB ARG 65 -4.884 17.788 -1.989 514 HB3 ARG 65 3HB ARG 65 -3.583 18.499 -2.933 515 HG2 ARG 65 2HG ARG 65 -6.093 17.224 -4.016 516 HG3 ARG 65 3HG ARG 65 -5.720 18.946 -3.974 517 HD2 ARG 65 2HD ARG 65 -4.213 16.843 -5.540 518 HD3 ARG 65 3HD ARG 65 -5.365 18.000 -6.204 519 HE ARG 65 HE ARG 65 -3.110 19.157 -4.800 520 HH11 ARG 65 1HH1 ARG 65 -4.434 18.227 -7.850 521 HH12 ARG 65 2HH1 ARG 65 -3.313 19.202 -8.741 522 HH21 ARG 65 1HH2 ARG 65 -1.692 20.384 -5.964 523 HH22 ARG 65 2HH2 ARG 65 -1.784 20.393 -7.695 524 H ARG 66 H ARG 66 -3.140 14.268 -1.574 525 HA ARG 66 HA ARG 66 -1.786 15.454 0.646 526 HB2 ARG 66 2HB ARG 66 -1.802 12.553 -0.222 527 HB3 ARG 66 3HB ARG 66 -1.333 13.155 1.359 528 HG2 ARG 66 2HG ARG 66 -3.641 13.896 1.758 529 HG3 ARG 66 3HG ARG 66 -4.105 13.280 0.167 530 HD2 ARG 66 2HD ARG 66 -3.391 11.016 0.866 531 HD3 ARG 66 3HD ARG 66 -2.994 11.649 2.461 532 HE ARG 66 HE ARG 66 -5.749 11.927 1.513 533 HH11 ARG 66 1HH1 ARG 66 -3.488 10.341 3.570 534 HH12 ARG 66 2HH1 ARG 66 -4.717 9.659 4.578 535 HH21 ARG 66 1HH2 ARG 66 -7.311 11.007 2.795 536 HH22 ARG 66 2HH2 ARG 66 -6.841 10.029 4.148 537 H VAL 67 H VAL 67 0.360 15.886 0.906 538 HA VAL 67 HA VAL 67 2.231 15.267 -1.225 539 HB VAL 67 HB VAL 67 2.783 16.563 1.460 540 HG11 VAL 67 1HG1 VAL 67 4.803 17.442 0.385 541 HG12 VAL 67 2HG1 VAL 67 4.421 16.532 -1.077 542 HG13 VAL 67 3HG1 VAL 67 4.800 15.678 0.421 543 HG21 VAL 67 3HG2 VAL 67 2.669 18.703 0.270 544 HG22 VAL 67 1HG2 VAL 67 1.130 17.844 0.193 545 HG23 VAL 67 2HG2 VAL 67 2.202 17.859 -1.209 546 H HIS 68 H HIS 68 1.528 14.140 2.027 547 HA HIS 68 HA HIS 68 3.612 12.066 1.757 548 HB2 HIS 68 2HB HIS 68 2.296 13.226 4.221 549 HB3 HIS 68 3HB HIS 68 3.319 11.793 4.252 550 HD1 HIS 68 HD1 HIS 68 3.483 15.504 3.651 551 HD2 HIS 68 HD2 HIS 68 6.043 12.274 4.147 552 HE1 HIS 68 HE1 HIS 68 5.773 16.496 3.901 553 HE2 HIS 68 HE2 HIS 68 7.254 14.537 4.424 554 H VAL 69 H VAL 69 2.960 10.066 1.352 555 HA VAL 69 HA VAL 69 0.210 9.285 1.315 556 HB VAL 69 HB VAL 69 2.653 7.498 1.126 557 HG11 VAL 69 1HG1 VAL 69 -0.192 7.078 0.196 558 HG12 VAL 69 2HG1 VAL 69 0.602 6.259 1.541 559 HG13 VAL 69 3HG1 VAL 69 1.157 5.981 -0.110 560 HG21 VAL 69 3HG2 VAL 69 1.149 8.902 -1.086 561 HG22 VAL 69 1HG2 VAL 69 2.438 7.719 -1.310 562 HG23 VAL 69 2HG2 VAL 69 2.785 9.268 -0.544 563 H THR 70 H THR 70 -0.960 8.643 3.022 564 HA THR 70 HA THR 70 0.412 7.895 5.507 565 HB THR 70 HB THR 70 -1.637 8.292 6.674 566 HG1 THR 70 HG1 THR 70 -2.841 8.374 4.087 567 HG21 THR 70 3HG2 THR 70 -1.368 10.404 4.524 568 HG22 THR 70 1HG2 THR 70 -0.424 10.327 6.015 569 HG23 THR 70 2HG2 THR 70 -2.164 10.609 6.086 570 H GLN 71 H GLN 71 -0.863 6.233 6.880 571 HA GLN 71 HA GLN 71 -0.807 3.716 5.611 572 HB2 GLN 71 2HB GLN 71 -0.449 4.120 8.038 573 HB3 GLN 71 3HB GLN 71 -2.155 4.498 8.213 574 HG2 GLN 71 2HG GLN 71 -2.783 2.250 7.721 575 HG3 GLN 71 3HG GLN 71 -1.139 1.840 7.234 576 HE21 GLN 71 1HE2 GLN 71 -2.861 0.669 9.307 577 HE22 GLN 71 2HE2 GLN 71 -1.958 0.770 10.775 578 H GLU 72 H GLU 72 -3.327 6.066 6.045 579 HA GLU 72 HA GLU 72 -5.629 4.517 5.620 580 HB2 GLU 72 2HB GLU 72 -5.225 7.352 4.650 581 HB3 GLU 72 3HB GLU 72 -6.742 6.577 5.087 582 HG2 GLU 72 2HG GLU 72 -6.100 6.533 7.416 583 HG3 GLU 72 3HG GLU 72 -4.505 7.174 7.021 584 H ASP 73 H ASP 73 -3.568 6.261 3.302 585 HA ASP 73 HA ASP 73 -5.046 5.777 0.987 586 HB2 ASP 73 2HB ASP 73 -2.043 6.098 1.249 587 HB3 ASP 73 3HB ASP 73 -2.975 6.312 -0.231 588 H PHE 74 H PHE 74 -2.517 3.811 2.505 589 HA PHE 74 HA PHE 74 -2.276 1.858 0.492 590 HB2 PHE 74 2HB PHE 74 -1.707 1.856 3.443 591 HB3 PHE 74 3HB PHE 74 -1.540 0.376 2.505 592 HD1 PHE 74 HD1 PHE 74 -0.276 3.818 2.928 593 HD2 PHE 74 HD2 PHE 74 0.296 0.045 1.034 594 HE1 PHE 74 HE1 PHE 74 1.974 4.514 2.221 595 HE2 PHE 74 HE2 PHE 74 2.547 0.737 0.328 596 HZ PHE 74 HZ PHE 74 3.388 2.975 0.921 597 H GLU 75 H GLU 75 -4.242 1.713 3.501 598 HA GLU 75 HA GLU 75 -5.464 -0.749 2.777 599 HB2 GLU 75 2HB GLU 75 -7.126 -0.189 4.594 600 HB3 GLU 75 3HB GLU 75 -5.439 -0.266 5.074 601 HG2 GLU 75 2HG GLU 75 -5.358 2.223 4.928 602 HG3 GLU 75 3HG GLU 75 -7.101 2.208 4.648 603 H MET 76 H MET 76 -6.378 2.601 2.150 604 HA MET 76 HA MET 76 -8.909 2.070 0.998 605 HB2 MET 76 2HB MET 76 -6.884 4.258 0.520 606 HB3 MET 76 3HB MET 76 -8.418 4.203 -0.338 607 HG2 MET 76 2HG MET 76 -8.060 4.385 2.649 608 HG3 MET 76 3HG MET 76 -8.544 5.695 1.573 609 HE1 MET 76 3HE MET 76 -12.034 4.371 0.300 610 HE2 MET 76 1HE MET 76 -10.476 4.012 -0.447 611 HE3 MET 76 2HE MET 76 -10.818 5.640 0.148 612 H ALA 77 H ALA 77 -5.631 1.935 -0.309 613 HA ALA 77 HA ALA 77 -6.359 1.254 -2.970 614 HB1 ALA 77 3HB ALA 77 -4.137 2.098 -2.414 615 HB2 ALA 77 1HB ALA 77 -4.031 0.530 -3.214 616 HB3 ALA 77 2HB ALA 77 -3.809 0.647 -1.468 617 H VAL 78 H VAL 78 -5.697 -0.682 -0.067 618 HA VAL 78 HA VAL 78 -5.878 -3.247 -1.161 619 HB VAL 78 HB VAL 78 -6.791 -2.281 1.563 620 HG11 VAL 78 1HG1 VAL 78 -7.898 -4.384 1.066 621 HG12 VAL 78 2HG1 VAL 78 -6.635 -4.643 2.269 622 HG13 VAL 78 3HG1 VAL 78 -6.365 -5.111 0.589 623 HG21 VAL 78 3HG2 VAL 78 -4.412 -1.927 1.136 624 HG22 VAL 78 1HG2 VAL 78 -4.228 -3.625 0.686 625 HG23 VAL 78 2HG2 VAL 78 -4.650 -3.190 2.343 626 H ALA 79 H ALA 79 -8.510 -1.243 0.218 627 HA ALA 79 HA ALA 79 -10.649 -2.931 -0.420 628 HB1 ALA 79 3HB ALA 79 -10.621 0.087 -0.292 629 HB2 ALA 79 1HB ALA 79 -10.879 -1.010 1.065 630 HB3 ALA 79 2HB ALA 79 -12.062 -0.930 -0.241 631 H LYS 80 H LYS 80 -8.977 -0.523 -2.381 632 HA LYS 80 HA LYS 80 -10.742 -0.513 -4.594 633 HB2 LYS 80 2HB LYS 80 -9.091 1.257 -4.185 634 HB3 LYS 80 3HB LYS 80 -7.782 0.114 -4.445 635 HG2 LYS 80 2HG LYS 80 -7.793 1.084 -6.496 636 HG3 LYS 80 3HG LYS 80 -8.997 -0.163 -6.803 637 HD2 LYS 80 2HD LYS 80 -9.629 2.677 -5.977 638 HD3 LYS 80 3HD LYS 80 -9.653 2.088 -7.637 639 HE2 LYS 80 2HE LYS 80 -11.418 0.488 -7.032 640 HE3 LYS 80 3HE LYS 80 -11.397 1.095 -5.377 641 HZ1 LYS 80 3HZ LYS 80 -12.064 3.265 -6.208 642 HZ2 LYS 80 1HZ LYS 80 -13.187 2.083 -6.652 643 HZ3 LYS 80 2HZ LYS 80 -12.094 2.676 -7.792 644 H VAL 81 H VAL 81 -7.708 -2.314 -4.026 645 HA VAL 81 HA VAL 81 -7.852 -3.665 -6.571 646 HB VAL 81 HB VAL 81 -6.000 -4.137 -4.221 647 HG11 VAL 81 1HG1 VAL 81 -5.800 -5.134 -7.072 648 HG12 VAL 81 2HG1 VAL 81 -6.130 -6.121 -5.646 649 HG13 VAL 81 3HG1 VAL 81 -4.565 -5.327 -5.826 650 HG21 VAL 81 3HG2 VAL 81 -5.755 -1.897 -5.139 651 HG22 VAL 81 1HG2 VAL 81 -5.617 -2.554 -6.771 652 HG23 VAL 81 2HG2 VAL 81 -4.359 -2.880 -5.578 653 H MET 82 H MET 82 -8.137 -4.765 -3.168 654 HA MET 82 HA MET 82 -8.812 -7.445 -3.900 655 HB2 MET 82 2HB MET 82 -9.197 -6.023 -1.256 656 HB3 MET 82 3HB MET 82 -9.337 -7.758 -1.509 657 HG2 MET 82 2HG MET 82 -6.848 -6.087 -1.810 658 HG3 MET 82 3HG MET 82 -7.197 -7.247 -0.529 659 HE1 MET 82 3HE MET 82 -7.139 -10.644 -2.522 660 HE2 MET 82 1HE MET 82 -8.553 -9.633 -2.223 661 HE3 MET 82 2HE MET 82 -7.365 -9.891 -0.945 662 H GLN 83 H GLN 83 -10.640 -4.533 -3.553 663 HA GLN 83 HA GLN 83 -12.769 -4.017 -4.169 664 HB2 GLN 83 2HB GLN 83 -12.867 -6.860 -5.206 665 HB3 GLN 83 3HB GLN 83 -13.993 -5.573 -5.619 666 HG2 GLN 83 2HG GLN 83 -12.253 -4.343 -6.746 667 HG3 GLN 83 3HG GLN 83 -11.039 -5.507 -6.216 668 HE21 GLN 83 1HE2 GLN 83 -10.413 -6.053 -8.280 669 HE22 GLN 83 2HE2 GLN 83 -11.416 -6.956 -9.358 670 H LYS 84 H LYS 84 -12.303 -5.127 -1.475 671 HA LYS 84 HA LYS 84 -15.060 -5.658 -0.792 672 HB2 LYS 84 2HB LYS 84 -14.656 -7.795 0.318 673 HB3 LYS 84 3HB LYS 84 -14.290 -7.899 -1.399 674 HG2 LYS 84 2HG LYS 84 -11.881 -7.646 -0.863 675 HG3 LYS 84 3HG LYS 84 -12.289 -7.661 0.853 676 HD2 LYS 84 2HD LYS 84 -12.802 -9.886 -1.128 677 HD3 LYS 84 3HD LYS 84 -11.554 -9.871 0.121 678 HE2 LYS 84 2HE LYS 84 -13.237 -9.861 1.858 679 HE3 LYS 84 3HE LYS 84 -14.524 -9.720 0.659 680 HZ1 LYS 84 3HZ LYS 84 -12.697 -12.028 1.018 681 HZ2 LYS 84 1HZ LYS 84 -13.852 -11.895 -0.212 682 HZ3 LYS 84 2HZ LYS 84 -14.345 -11.974 1.405 683 H ASP 85 H ASP 85 -15.515 -5.574 1.445 684 HA ASP 85 HA ASP 85 -13.369 -4.466 3.149 685 HB2 ASP 85 2HB ASP 85 -15.013 -2.744 2.580 686 HB3 ASP 85 3HB ASP 85 -16.326 -3.785 3.119 687 H SER 86 H SER 86 -12.771 -6.180 4.394 688 HA SER 86 HA SER 86 -14.484 -7.218 6.399 689 HB2 SER 86 2HB SER 86 -14.583 -9.596 5.652 690 HB3 SER 86 3HB SER 86 -15.498 -8.514 4.603 691 HG SER 86 HG SER 86 -12.822 -9.242 4.044 Start of MODEL 9 1 H1 MET 1 1H MET 1 9.672 -28.327 -24.865 2 H2 MET 1 2H MET 1 8.475 -27.232 -25.341 3 H3 MET 1 3H MET 1 8.236 -28.892 -25.552 4 HA MET 1 HA MET 1 8.231 -29.241 -23.174 5 HB2 MET 1 2HB MET 1 8.528 -26.224 -23.089 6 HB3 MET 1 3HB MET 1 8.129 -27.220 -21.695 7 HG2 MET 1 2HG MET 1 10.666 -27.431 -23.312 8 HG3 MET 1 3HG MET 1 10.503 -26.590 -21.770 9 HE1 MET 1 3HE MET 1 12.610 -29.815 -20.898 10 HE2 MET 1 1HE MET 1 12.582 -28.052 -20.871 11 HE3 MET 1 2HE MET 1 12.669 -28.909 -22.411 12 H GLY 2 H GLY 2 6.330 -28.283 -21.664 13 HA2 GLY 2 2HA GLY 2 4.237 -26.920 -21.906 14 HA3 GLY 2 3HA GLY 2 4.039 -27.714 -23.457 15 H HIS 3 H HIS 3 4.670 -28.773 -20.081 16 HA HIS 3 HA HIS 3 2.618 -30.855 -20.452 17 HB2 HIS 3 2HB HIS 3 4.846 -31.604 -19.672 18 HB3 HIS 3 3HB HIS 3 4.673 -30.590 -18.241 19 HD1 HIS 3 HD1 HIS 3 2.705 -33.403 -19.909 20 HD2 HIS 3 HD2 HIS 3 3.667 -31.968 -16.129 21 HE1 HIS 3 HE1 HIS 3 1.688 -35.029 -18.291 22 HE2 HIS 3 HE2 HIS 3 2.438 -34.237 -16.029 23 H HIS 4 H HIS 4 0.781 -30.939 -19.240 24 HA HIS 4 HA HIS 4 -0.181 -28.558 -18.067 25 HB2 HIS 4 2HB HIS 4 -1.624 -30.266 -19.148 26 HB3 HIS 4 3HB HIS 4 -1.322 -31.352 -17.796 27 HD1 HIS 4 HD1 HIS 4 -3.157 -28.207 -18.703 28 HD2 HIS 4 HD2 HIS 4 -2.806 -30.808 -15.483 29 HE1 HIS 4 HE1 HIS 4 -4.986 -27.560 -17.115 30 HE2 HIS 4 HE2 HIS 4 -4.627 -29.010 -15.100 31 H HIS 5 H HIS 5 0.918 -27.814 -16.319 32 HA HIS 5 HA HIS 5 0.455 -29.194 -13.801 33 HB2 HIS 5 2HB HIS 5 2.649 -30.067 -14.382 34 HB3 HIS 5 3HB HIS 5 3.247 -28.448 -14.723 35 HD1 HIS 5 HD1 HIS 5 4.661 -27.567 -12.901 36 HD2 HIS 5 HD2 HIS 5 1.746 -30.152 -11.451 37 HE1 HIS 5 HE1 HIS 5 5.036 -27.681 -10.425 38 HE2 HIS 5 HE2 HIS 5 3.147 -29.092 -9.550 39 H HIS 6 H HIS 6 -0.876 -27.548 -13.128 40 HA HIS 6 HA HIS 6 -0.189 -24.784 -13.475 41 HB2 HIS 6 2HB HIS 6 -2.533 -25.572 -13.457 42 HB3 HIS 6 3HB HIS 6 -2.361 -26.016 -11.762 43 HD1 HIS 6 HD1 HIS 6 -2.687 -24.201 -10.055 44 HD2 HIS 6 HD2 HIS 6 -2.496 -22.734 -13.934 45 HE1 HIS 6 HE1 HIS 6 -3.311 -21.778 -9.884 46 HE2 HIS 6 HE2 HIS 6 -3.376 -20.967 -12.262 47 H HIS 7 H HIS 7 1.843 -24.572 -12.436 48 HA HIS 7 HA HIS 7 2.308 -25.170 -9.722 49 HB2 HIS 7 2HB HIS 7 4.259 -23.696 -9.878 50 HB3 HIS 7 3HB HIS 7 4.144 -24.726 -11.299 51 HD1 HIS 7 HD1 HIS 7 3.824 -23.577 -13.568 52 HD2 HIS 7 HD2 HIS 7 3.804 -20.936 -10.357 53 HE1 HIS 7 HE1 HIS 7 3.957 -21.284 -14.577 54 HE2 HIS 7 HE2 HIS 7 3.764 -19.710 -12.632 55 H HIS 8 H HIS 8 1.857 -24.108 -7.863 56 HA HIS 8 HA HIS 8 0.603 -21.450 -8.047 57 HB2 HIS 8 2HB HIS 8 -1.034 -22.253 -6.266 58 HB3 HIS 8 3HB HIS 8 -1.271 -22.889 -7.888 59 HD1 HIS 8 HD1 HIS 8 -0.720 -25.415 -8.266 60 HD2 HIS 8 HD2 HIS 8 -0.413 -24.152 -4.320 61 HE1 HIS 8 HE1 HIS 8 -0.622 -27.510 -6.898 62 HE2 HIS 8 HE2 HIS 8 -0.668 -26.716 -4.515 63 H SER 9 H SER 9 2.141 -20.233 -7.091 64 HA SER 9 HA SER 9 3.412 -21.122 -4.615 65 HB2 SER 9 2HB SER 9 4.854 -20.081 -6.300 66 HB3 SER 9 3HB SER 9 3.870 -18.616 -6.263 67 HG SER 9 HG SER 9 5.793 -18.504 -4.947 68 H HIS 10 H HIS 10 3.687 -19.354 -2.895 69 HA HIS 10 HA HIS 10 1.534 -17.497 -2.551 70 HB2 HIS 10 2HB HIS 10 0.625 -18.644 -0.471 71 HB3 HIS 10 3HB HIS 10 0.193 -19.380 -2.011 72 HD1 HIS 10 HD1 HIS 10 2.438 -19.921 0.970 73 HD2 HIS 10 HD2 HIS 10 1.034 -21.994 -2.344 74 HE1 HIS 10 HE1 HIS 10 3.115 -22.307 1.336 75 HE2 HIS 10 HE2 HIS 10 2.457 -23.487 -0.784 76 HA PRO 11 HA PRO 11 5.108 -16.215 -0.019 77 HB2 PRO 11 2HB PRO 11 4.603 -13.555 -0.184 78 HB3 PRO 11 3HB PRO 11 5.409 -14.449 -1.479 79 HG2 PRO 11 2HG PRO 11 2.536 -13.621 -1.256 80 HG3 PRO 11 3HG PRO 11 3.619 -13.533 -2.659 81 HD2 PRO 11 2HD PRO 11 1.785 -15.520 -2.330 82 HD3 PRO 11 3HD PRO 11 3.322 -15.763 -3.184 83 H ASN 12 H ASN 12 4.998 -16.225 2.166 84 HA ASN 12 HA ASN 12 2.546 -16.057 3.564 85 HB2 ASN 12 2HB ASN 12 3.925 -16.193 5.619 86 HB3 ASN 12 3HB ASN 12 4.364 -17.409 4.427 87 HD21 ASN 12 1HD2 ASN 12 6.426 -17.732 5.093 88 HD22 ASN 12 2HD2 ASN 12 7.659 -16.527 5.014 89 H GLU 13 H GLU 13 2.538 -14.573 5.682 90 HA GLU 13 HA GLU 13 1.800 -12.057 4.737 91 HB2 GLU 13 2HB GLU 13 0.884 -13.111 6.757 92 HB3 GLU 13 3HB GLU 13 2.416 -12.868 7.582 93 HG2 GLU 13 2HG GLU 13 2.148 -10.483 7.510 94 HG3 GLU 13 3HG GLU 13 0.705 -10.635 6.505 95 H GLU 14 H GLU 14 4.724 -12.929 6.603 96 HA GLU 14 HA GLU 14 5.851 -10.354 6.684 97 HB2 GLU 14 2HB GLU 14 7.216 -13.056 6.667 98 HB3 GLU 14 3HB GLU 14 8.020 -11.537 7.043 99 HG2 GLU 14 2HG GLU 14 5.724 -12.730 8.594 100 HG3 GLU 14 3HG GLU 14 7.424 -12.805 9.053 101 H ALA 15 H ALA 15 6.026 -12.869 4.217 102 HA ALA 15 HA ALA 15 8.028 -11.660 2.612 103 HB1 ALA 15 3HB ALA 15 7.453 -14.030 2.431 104 HB2 ALA 15 1HB ALA 15 7.323 -13.218 0.871 105 HB3 ALA 15 2HB ALA 15 5.867 -13.601 1.791 106 H ARG 16 H ARG 16 4.449 -11.663 2.287 107 HA ARG 16 HA ARG 16 4.412 -9.901 0.067 108 HB2 ARG 16 2HB ARG 16 2.034 -9.630 0.472 109 HB3 ARG 16 3HB ARG 16 2.479 -11.319 0.668 110 HG2 ARG 16 2HG ARG 16 2.470 -11.002 3.120 111 HG3 ARG 16 3HG ARG 16 1.938 -9.336 2.878 112 HD2 ARG 16 2HD ARG 16 -0.075 -10.187 1.707 113 HD3 ARG 16 3HD ARG 16 0.451 -11.835 2.048 114 HE ARG 16 HE ARG 16 -0.107 -9.931 4.223 115 HH11 ARG 16 1HH1 ARG 16 -0.639 -12.967 2.687 116 HH12 ARG 16 2HH1 ARG 16 -1.646 -13.556 3.960 117 HH21 ARG 16 1HH2 ARG 16 -1.396 -10.705 5.856 118 HH22 ARG 16 2HH2 ARG 16 -2.052 -12.297 5.746 119 H LEU 17 H LEU 17 4.376 -9.342 3.549 120 HA LEU 17 HA LEU 17 4.002 -6.589 3.659 121 HB2 LEU 17 2HB LEU 17 4.100 -7.808 5.688 122 HB3 LEU 17 3HB LEU 17 5.671 -8.483 5.302 123 HG LEU 17 HG LEU 17 6.709 -6.275 5.640 124 HD11 LEU 17 1HD1 LEU 17 3.938 -5.377 6.418 125 HD12 LEU 17 2HD1 LEU 17 4.858 -4.841 5.013 126 HD13 LEU 17 3HD1 LEU 17 5.418 -4.446 6.637 127 HD21 LEU 17 3HD2 LEU 17 5.002 -7.174 7.962 128 HD22 LEU 17 1HD2 LEU 17 6.446 -6.164 8.065 129 HD23 LEU 17 2HD2 LEU 17 6.575 -7.833 7.510 130 H ASP 18 H ASP 18 7.000 -8.406 3.051 131 HA ASP 18 HA ASP 18 8.724 -6.176 2.922 132 HB2 ASP 18 2HB ASP 18 9.438 -8.561 3.187 133 HB3 ASP 18 3HB ASP 18 9.055 -8.822 1.487 134 H ILE 19 H ILE 19 6.644 -7.679 0.529 135 HA ILE 19 HA ILE 19 7.692 -6.396 -1.765 136 HB ILE 19 HB ILE 19 4.826 -7.288 -1.341 137 HG12 ILE 19 2HG1 ILE 19 7.202 -8.836 -2.434 138 HG13 ILE 19 3HG1 ILE 19 6.438 -9.109 -0.872 139 HG21 ILE 19 1HG2 ILE 19 5.132 -5.839 -3.288 140 HG22 ILE 19 2HG2 ILE 19 4.781 -7.491 -3.789 141 HG23 ILE 19 3HG2 ILE 19 6.433 -6.877 -3.873 142 HD11 ILE 19 3HD1 ILE 19 4.373 -9.767 -2.005 143 HD12 ILE 19 1HD1 ILE 19 5.741 -10.768 -2.489 144 HD13 ILE 19 2HD1 ILE 19 5.151 -9.503 -3.566 145 H LEU 20 H LEU 20 5.056 -5.427 0.476 146 HA LEU 20 HA LEU 20 4.444 -2.977 -0.782 147 HB2 LEU 20 2HB LEU 20 4.213 -3.839 2.100 148 HB3 LEU 20 3HB LEU 20 3.755 -2.229 1.578 149 HG LEU 20 HG LEU 20 2.211 -3.448 -0.116 150 HD11 LEU 20 1HD1 LEU 20 3.110 -5.686 0.188 151 HD12 LEU 20 2HD1 LEU 20 1.399 -5.624 0.603 152 HD13 LEU 20 3HD1 LEU 20 2.614 -5.669 1.882 153 HD21 LEU 20 3HD2 LEU 20 0.403 -3.548 1.514 154 HD22 LEU 20 1HD2 LEU 20 1.399 -2.113 1.757 155 HD23 LEU 20 2HD2 LEU 20 1.574 -3.500 2.835 156 H LYS 21 H LYS 21 6.977 -3.831 1.529 157 HA LYS 21 HA LYS 21 8.043 -1.268 1.964 158 HB2 LYS 21 2HB LYS 21 9.491 -3.925 1.822 159 HB3 LYS 21 3HB LYS 21 10.178 -2.441 2.466 160 HG2 LYS 21 2HG LYS 21 8.546 -2.420 4.259 161 HG3 LYS 21 3HG LYS 21 7.750 -3.843 3.578 162 HD2 LYS 21 2HD LYS 21 9.792 -5.157 3.928 163 HD3 LYS 21 3HD LYS 21 10.592 -3.736 4.606 164 HE2 LYS 21 2HE LYS 21 9.033 -3.689 6.455 165 HE3 LYS 21 3HE LYS 21 8.101 -5.009 5.743 166 HZ1 LYS 21 3HZ LYS 21 10.928 -5.229 6.617 167 HZ2 LYS 21 1HZ LYS 21 9.944 -6.483 6.048 168 HZ3 LYS 21 2HZ LYS 21 9.596 -5.739 7.526 169 H ILE 22 H ILE 22 9.006 -3.713 -0.455 170 HA ILE 22 HA ILE 22 10.964 -2.355 -1.822 171 HB ILE 22 HB ILE 22 8.848 -4.162 -3.013 172 HG12 ILE 22 2HG1 ILE 22 11.627 -4.822 -1.988 173 HG13 ILE 22 3HG1 ILE 22 10.129 -5.159 -1.127 174 HG21 ILE 22 1HG2 ILE 22 11.565 -3.406 -4.095 175 HG22 ILE 22 2HG2 ILE 22 10.006 -2.909 -4.754 176 HG23 ILE 22 3HG2 ILE 22 10.478 -4.608 -4.794 177 HD11 ILE 22 3HD1 ILE 22 10.994 -7.142 -2.230 178 HD12 ILE 22 1HD1 ILE 22 10.926 -6.320 -3.790 179 HD13 ILE 22 2HD1 ILE 22 9.438 -6.672 -2.911 180 H HIS 23 H HIS 23 7.455 -1.999 -2.215 181 HA HIS 23 HA HIS 23 7.724 -0.144 -4.415 182 HB2 HIS 23 2HB HIS 23 5.358 -1.090 -2.798 183 HB3 HIS 23 3HB HIS 23 5.213 0.167 -4.023 184 HD1 HIS 23 HD1 HIS 23 5.404 -0.544 -6.493 185 HD2 HIS 23 HD2 HIS 23 5.795 -3.691 -3.806 186 HE1 HIS 23 HE1 HIS 23 5.244 -2.630 -7.873 187 HE2 HIS 23 HE2 HIS 23 5.682 -4.506 -6.258 188 H SER 24 H SER 24 7.094 0.148 -0.928 189 HA SER 24 HA SER 24 6.507 2.945 -1.004 190 HB2 SER 24 2HB SER 24 6.761 2.866 1.463 191 HB3 SER 24 3HB SER 24 5.714 1.587 0.853 192 HG SER 24 HG SER 24 7.052 0.162 1.591 193 H ARG 25 H ARG 25 9.438 1.223 -1.202 194 HA ARG 25 HA ARG 25 11.203 3.099 -0.013 195 HB2 ARG 25 2HB ARG 25 11.679 0.939 -2.079 196 HB3 ARG 25 3HB ARG 25 12.968 1.888 -1.350 197 HG2 ARG 25 2HG ARG 25 12.504 1.009 0.819 198 HG3 ARG 25 3HG ARG 25 11.027 0.236 0.251 199 HD2 ARG 25 2HD ARG 25 12.443 -1.179 -1.258 200 HD3 ARG 25 3HD ARG 25 13.867 -0.485 -0.480 201 HE ARG 25 HE ARG 25 12.342 -1.454 1.580 202 HH11 ARG 25 1HH1 ARG 25 13.833 -2.814 -1.217 203 HH12 ARG 25 2HH1 ARG 25 13.962 -4.391 -0.520 204 HH21 ARG 25 1HH2 ARG 25 12.545 -3.464 2.478 205 HH22 ARG 25 2HH2 ARG 25 13.229 -4.756 1.556 206 H LYS 26 H LYS 26 9.264 3.744 -2.564 207 HA LYS 26 HA LYS 26 11.222 5.626 -3.743 208 HB2 LYS 26 2HB LYS 26 8.733 4.388 -4.913 209 HB3 LYS 26 3HB LYS 26 9.475 5.820 -5.613 210 HG2 LYS 26 2HG LYS 26 11.595 4.473 -5.838 211 HG3 LYS 26 3HG LYS 26 10.640 3.053 -5.394 212 HD2 LYS 26 2HD LYS 26 9.162 3.414 -7.296 213 HD3 LYS 26 3HD LYS 26 10.029 4.891 -7.719 214 HE2 LYS 26 2HE LYS 26 10.748 3.114 -9.172 215 HE3 LYS 26 3HE LYS 26 12.072 3.534 -8.087 216 HZ1 LYS 26 3HZ LYS 26 11.578 1.620 -6.749 217 HZ2 LYS 26 1HZ LYS 26 11.778 1.132 -8.356 218 HZ3 LYS 26 2HZ LYS 26 10.224 1.244 -7.693 219 H MET 27 H MET 27 8.580 5.520 -1.637 220 HA MET 27 HA MET 27 7.734 8.255 -2.385 221 HB2 MET 27 2HB MET 27 5.971 6.018 -1.365 222 HB3 MET 27 3HB MET 27 5.440 7.662 -1.695 223 HG2 MET 27 2HG MET 27 6.033 7.361 -4.059 224 HG3 MET 27 3HG MET 27 6.513 5.701 -3.717 225 HE1 MET 27 3HE MET 27 4.799 3.830 -2.845 226 HE2 MET 27 1HE MET 27 3.069 4.108 -2.646 227 HE3 MET 27 2HE MET 27 4.218 4.888 -1.558 228 H ASN 28 H ASN 28 6.714 9.506 -0.673 229 HA ASN 28 HA ASN 28 8.133 9.306 1.845 230 HB2 ASN 28 2HB ASN 28 5.975 11.246 0.959 231 HB3 ASN 28 3HB ASN 28 6.990 11.416 2.388 232 HD21 ASN 28 1HD2 ASN 28 6.629 13.068 -0.062 233 HD22 ASN 28 2HD2 ASN 28 8.226 13.301 -0.675 234 H LEU 29 H LEU 29 7.395 8.199 3.586 235 HA LEU 29 HA LEU 29 4.605 7.308 3.627 236 HB2 LEU 29 2HB LEU 29 6.949 6.527 5.373 237 HB3 LEU 29 3HB LEU 29 5.348 5.813 5.456 238 HG LEU 29 HG LEU 29 7.266 5.636 3.120 239 HD11 LEU 29 1HD1 LEU 29 7.898 4.229 5.019 240 HD12 LEU 29 2HD1 LEU 29 7.356 3.259 3.652 241 HD13 LEU 29 3HD1 LEU 29 6.285 3.510 5.032 242 HD21 LEU 29 3HD2 LEU 29 5.615 4.141 2.098 243 HD22 LEU 29 1HD2 LEU 29 4.958 5.761 2.333 244 HD23 LEU 29 2HD2 LEU 29 4.500 4.457 3.427 245 H THR 30 H THR 30 3.374 7.381 5.631 246 HA THR 30 HA THR 30 3.589 9.956 6.962 247 HB THR 30 HB THR 30 1.370 9.188 6.285 248 HG1 THR 30 HG1 THR 30 0.747 10.277 7.995 249 HG21 THR 30 3HG2 THR 30 1.811 6.923 8.234 250 HG22 THR 30 1HG2 THR 30 1.705 6.778 6.479 251 HG23 THR 30 2HG2 THR 30 0.294 7.286 7.409 252 H ARG 31 H ARG 31 3.154 10.033 9.382 253 HA ARG 31 HA ARG 31 5.133 8.498 10.802 254 HB2 ARG 31 2HB ARG 31 3.151 10.627 11.557 255 HB3 ARG 31 3HB ARG 31 3.958 9.712 12.817 256 HG2 ARG 31 2HG ARG 31 5.037 11.866 12.363 257 HG3 ARG 31 3HG ARG 31 6.113 10.501 12.088 258 HD2 ARG 31 2HD ARG 31 4.588 11.588 9.767 259 HD3 ARG 31 3HD ARG 31 5.947 12.525 10.386 260 HE ARG 31 HE ARG 31 6.979 10.036 10.096 261 HH11 ARG 31 1HH1 ARG 31 5.221 12.092 7.967 262 HH12 ARG 31 2HH1 ARG 31 6.067 11.542 6.563 263 HH21 ARG 31 1HH2 ARG 31 8.075 9.353 8.279 264 HH22 ARG 31 2HH2 ARG 31 7.658 10.017 6.736 265 H GLY 32 H GLY 32 4.840 6.528 11.681 266 HA2 GLY 32 2HA GLY 32 3.838 4.788 12.830 267 HA3 GLY 32 3HA GLY 32 2.438 5.815 13.094 268 H ILE 33 H ILE 33 3.959 4.607 10.100 269 HA ILE 33 HA ILE 33 1.321 3.707 9.186 270 HB ILE 33 HB ILE 33 2.486 5.162 7.655 271 HG12 ILE 33 2HG1 ILE 33 2.501 2.317 6.606 272 HG13 ILE 33 3HG1 ILE 33 1.085 3.362 6.703 273 HG21 ILE 33 1HG2 ILE 33 4.779 4.774 8.327 274 HG22 ILE 33 2HG2 ILE 33 4.611 4.528 6.588 275 HG23 ILE 33 3HG2 ILE 33 4.724 3.140 7.668 276 HD11 ILE 33 3HD1 ILE 33 3.529 3.823 5.009 277 HD12 ILE 33 1HD1 ILE 33 2.147 4.912 5.131 278 HD13 ILE 33 2HD1 ILE 33 1.939 3.298 4.454 279 H ASN 34 H ASN 34 0.865 1.680 9.847 280 HA ASN 34 HA ASN 34 2.952 -0.329 10.065 281 HB2 ASN 34 2HB ASN 34 1.100 -0.108 11.746 282 HB3 ASN 34 3HB ASN 34 -0.027 -0.660 10.511 283 HD21 ASN 34 1HD2 ASN 34 0.427 -1.932 12.979 284 HD22 ASN 34 2HD2 ASN 34 1.066 -3.504 12.647 285 H LEU 35 H LEU 35 3.582 -0.630 7.893 286 HA LEU 35 HA LEU 35 1.935 -1.139 5.713 287 HB2 LEU 35 2HB LEU 35 4.689 -2.245 6.286 288 HB3 LEU 35 3HB LEU 35 3.901 -2.303 4.720 289 HG LEU 35 HG LEU 35 4.687 0.223 6.191 290 HD11 LEU 35 1HD1 LEU 35 6.621 -1.028 5.367 291 HD12 LEU 35 2HD1 LEU 35 6.386 0.465 4.458 292 HD13 LEU 35 3HD1 LEU 35 5.906 -1.081 3.753 293 HD21 LEU 35 3HD2 LEU 35 2.695 0.544 4.808 294 HD22 LEU 35 1HD2 LEU 35 3.532 -0.154 3.422 295 HD23 LEU 35 2HD2 LEU 35 4.087 1.371 4.113 296 H ARG 36 H ARG 36 2.849 -3.305 8.310 297 HA ARG 36 HA ARG 36 2.075 -5.721 7.001 298 HB2 ARG 36 2HB ARG 36 3.612 -5.743 8.910 299 HB3 ARG 36 3HB ARG 36 2.337 -5.127 9.956 300 HG2 ARG 36 2HG ARG 36 1.035 -7.163 9.590 301 HG3 ARG 36 3HG ARG 36 2.298 -7.784 8.523 302 HD2 ARG 36 2HD ARG 36 3.878 -7.823 10.354 303 HD3 ARG 36 3HD ARG 36 2.697 -7.075 11.430 304 HE ARG 36 HE ARG 36 1.647 -9.466 10.373 305 HH11 ARG 36 1HH1 ARG 36 4.054 -8.379 12.580 306 HH12 ARG 36 2HH1 ARG 36 3.919 -9.779 13.586 307 HH21 ARG 36 1HH2 ARG 36 1.494 -11.258 11.645 308 HH22 ARG 36 2HH2 ARG 36 2.474 -11.392 13.067 309 H LYS 37 H LYS 37 0.418 -3.529 9.271 310 HA LYS 37 HA LYS 37 -1.981 -4.887 9.597 311 HB2 LYS 37 2HB LYS 37 -1.368 -2.815 10.791 312 HB3 LYS 37 3HB LYS 37 -1.589 -1.893 9.316 313 HG2 LYS 37 2HG LYS 37 -3.890 -3.488 10.318 314 HG3 LYS 37 3HG LYS 37 -3.445 -2.018 11.185 315 HD2 LYS 37 2HD LYS 37 -3.552 -0.808 8.963 316 HD3 LYS 37 3HD LYS 37 -4.258 -2.277 8.284 317 HE2 LYS 37 2HE LYS 37 -6.112 -2.143 9.843 318 HE3 LYS 37 3HE LYS 37 -5.386 -0.742 10.624 319 HZ1 LYS 37 3HZ LYS 37 -7.166 -0.142 9.072 320 HZ2 LYS 37 1HZ LYS 37 -6.292 -0.821 7.798 321 HZ3 LYS 37 2HZ LYS 37 -5.683 0.528 8.610 322 H ILE 38 H ILE 38 -0.910 -2.867 6.925 323 HA ILE 38 HA ILE 38 -3.272 -2.998 5.362 324 HB ILE 38 HB ILE 38 -0.410 -2.731 4.400 325 HG12 ILE 38 2HG1 ILE 38 -0.885 -1.026 6.074 326 HG13 ILE 38 3HG1 ILE 38 -0.831 -0.284 4.479 327 HG21 ILE 38 1HG2 ILE 38 -1.932 -3.249 2.587 328 HG22 ILE 38 2HG2 ILE 38 -1.416 -1.565 2.472 329 HG23 ILE 38 3HG2 ILE 38 -3.022 -1.954 3.093 330 HD11 ILE 38 3HD1 ILE 38 -3.322 -0.995 6.017 331 HD12 ILE 38 1HD1 ILE 38 -3.273 -0.256 4.415 332 HD13 ILE 38 2HD1 ILE 38 -2.642 0.620 5.810 333 H ALA 39 H ALA 39 -0.279 -4.930 5.322 334 HA ALA 39 HA ALA 39 -1.004 -6.720 3.286 335 HB1 ALA 39 3HB ALA 39 1.297 -6.439 4.072 336 HB2 ALA 39 1HB ALA 39 0.807 -8.133 4.101 337 HB3 ALA 39 2HB ALA 39 0.872 -7.207 5.602 338 H GLU 40 H GLU 40 -1.823 -6.722 6.699 339 HA GLU 40 HA GLU 40 -2.702 -9.432 6.851 340 HB2 GLU 40 2HB GLU 40 -3.411 -7.043 8.571 341 HB3 GLU 40 3HB GLU 40 -3.825 -8.710 8.953 342 HG2 GLU 40 2HG GLU 40 -1.418 -9.264 9.020 343 HG3 GLU 40 3HG GLU 40 -1.039 -7.572 8.710 344 H LEU 41 H LEU 41 -4.139 -6.505 5.693 345 HA LEU 41 HA LEU 41 -6.848 -7.536 5.657 346 HB2 LEU 41 2HB LEU 41 -5.660 -5.078 4.352 347 HB3 LEU 41 3HB LEU 41 -7.373 -5.446 4.455 348 HG LEU 41 HG LEU 41 -5.556 -4.912 6.817 349 HD11 LEU 41 1HD1 LEU 41 -5.952 -2.901 5.487 350 HD12 LEU 41 2HD1 LEU 41 -6.777 -2.815 7.040 351 HD13 LEU 41 3HD1 LEU 41 -7.692 -3.177 5.577 352 HD21 LEU 41 3HD2 LEU 41 -8.550 -5.299 6.712 353 HD22 LEU 41 1HD2 LEU 41 -7.598 -4.905 8.143 354 HD23 LEU 41 2HD2 LEU 41 -7.386 -6.462 7.345 355 H MET 42 H MET 42 -4.208 -8.325 3.921 356 HA MET 42 HA MET 42 -5.674 -8.721 1.386 357 HB2 MET 42 2HB MET 42 -2.679 -8.748 1.843 358 HB3 MET 42 3HB MET 42 -3.500 -8.859 0.292 359 HG2 MET 42 2HG MET 42 -4.348 -6.592 0.559 360 HG3 MET 42 3HG MET 42 -3.581 -6.479 2.141 361 HE1 MET 42 3HE MET 42 -2.129 -8.152 -1.132 362 HE2 MET 42 1HE MET 42 -1.254 -6.791 -1.837 363 HE3 MET 42 2HE MET 42 -3.013 -6.746 -1.728 364 HA PRO 43 HA PRO 43 -5.374 -12.948 3.231 365 HB2 PRO 43 2HB PRO 43 -7.699 -13.887 2.184 366 HB3 PRO 43 3HB PRO 43 -7.643 -12.902 3.650 367 HG2 PRO 43 2HG PRO 43 -8.255 -12.072 0.836 368 HG3 PRO 43 3HG PRO 43 -9.091 -11.629 2.337 369 HD2 PRO 43 2HD PRO 43 -7.297 -9.988 1.131 370 HD3 PRO 43 3HD PRO 43 -7.507 -10.034 2.895 371 H GLY 44 H GLY 44 -3.919 -14.222 2.207 372 HA2 GLY 44 2HA GLY 44 -2.914 -15.521 0.601 373 HA3 GLY 44 3HA GLY 44 -4.520 -15.722 -0.078 374 H ALA 45 H ALA 45 -2.529 -12.792 0.200 375 HA ALA 45 HA ALA 45 -2.889 -12.351 -2.680 376 HB1 ALA 45 3HB ALA 45 -3.627 -10.570 -1.164 377 HB2 ALA 45 1HB ALA 45 -2.333 -10.026 -2.232 378 HB3 ALA 45 2HB ALA 45 -1.982 -10.417 -0.549 379 H SER 46 H SER 46 -1.105 -11.370 -3.892 380 HA SER 46 HA SER 46 1.596 -12.036 -2.925 381 HB2 SER 46 2HB SER 46 0.864 -13.910 -4.346 382 HB3 SER 46 3HB SER 46 0.500 -12.790 -5.657 383 HG SER 46 HG SER 46 2.492 -13.188 -6.218 384 H GLY 47 H GLY 47 3.098 -11.287 -5.067 385 HA2 GLY 47 2HA GLY 47 3.349 -8.547 -4.718 386 HA3 GLY 47 3HA GLY 47 4.069 -9.450 -6.035 387 H ALA 48 H ALA 48 1.599 -10.229 -7.313 388 HA ALA 48 HA ALA 48 1.149 -8.010 -8.972 389 HB1 ALA 48 3HB ALA 48 0.760 -10.332 -9.667 390 HB2 ALA 48 1HB ALA 48 -0.643 -9.310 -9.976 391 HB3 ALA 48 2HB ALA 48 -0.640 -10.413 -8.598 392 H GLU 49 H GLU 49 -0.783 -9.241 -6.239 393 HA GLU 49 HA GLU 49 -2.807 -7.243 -6.450 394 HB2 GLU 49 2HB GLU 49 -2.009 -8.964 -4.088 395 HB3 GLU 49 3HB GLU 49 -3.428 -7.928 -4.130 396 HG2 GLU 49 2HG GLU 49 -4.300 -10.007 -4.624 397 HG3 GLU 49 3HG GLU 49 -4.098 -9.286 -6.217 398 H VAL 50 H VAL 50 0.151 -7.520 -4.494 399 HA VAL 50 HA VAL 50 -0.083 -5.147 -3.016 400 HB VAL 50 HB VAL 50 2.450 -6.436 -4.072 401 HG11 VAL 50 1HG1 VAL 50 2.074 -4.417 -1.851 402 HG12 VAL 50 2HG1 VAL 50 2.867 -4.134 -3.402 403 HG13 VAL 50 3HG1 VAL 50 3.585 -5.245 -2.235 404 HG21 VAL 50 3HG2 VAL 50 2.588 -7.476 -1.847 405 HG22 VAL 50 1HG2 VAL 50 1.130 -7.968 -2.710 406 HG23 VAL 50 2HG2 VAL 50 1.030 -6.767 -1.422 407 H LYS 51 H LYS 51 1.213 -5.706 -6.264 408 HA LYS 51 HA LYS 51 2.146 -3.171 -6.908 409 HB2 LYS 51 2HB LYS 51 2.422 -5.126 -8.364 410 HB3 LYS 51 3HB LYS 51 0.692 -5.158 -8.676 411 HG2 LYS 51 2HG LYS 51 0.872 -2.951 -9.772 412 HG3 LYS 51 3HG LYS 51 2.618 -2.985 -9.511 413 HD2 LYS 51 2HD LYS 51 1.067 -5.046 -11.092 414 HD3 LYS 51 3HD LYS 51 1.947 -3.692 -11.803 415 HE2 LYS 51 2HE LYS 51 3.220 -5.807 -10.063 416 HE3 LYS 51 3HE LYS 51 3.177 -5.881 -11.824 417 HZ1 LYS 51 3HZ LYS 51 5.264 -4.966 -10.954 418 HZ2 LYS 51 1HZ LYS 51 4.417 -3.681 -10.255 419 HZ3 LYS 51 2HZ LYS 51 4.447 -3.862 -11.936 420 H GLY 52 H GLY 52 -1.166 -4.462 -7.172 421 HA2 GLY 52 2HA GLY 52 -2.384 -2.120 -8.176 422 HA3 GLY 52 3HA GLY 52 -3.204 -3.414 -7.318 423 H VAL 53 H VAL 53 -2.002 -3.264 -4.807 424 HA VAL 53 HA VAL 53 -3.513 -1.243 -3.579 425 HB VAL 53 HB VAL 53 -1.170 -2.795 -2.446 426 HG11 VAL 53 1HG1 VAL 53 -1.609 -0.793 -1.113 427 HG12 VAL 53 2HG1 VAL 53 -2.094 -2.246 -0.237 428 HG13 VAL 53 3HG1 VAL 53 -3.316 -1.227 -1.001 429 HG21 VAL 53 3HG2 VAL 53 -2.971 -4.240 -3.228 430 HG22 VAL 53 1HG2 VAL 53 -4.145 -3.310 -2.298 431 HG23 VAL 53 2HG2 VAL 53 -2.900 -4.242 -1.466 432 H CYS 54 H CYS 54 0.049 -1.416 -3.961 433 HA CYS 54 HA CYS 54 0.589 1.062 -2.754 434 HB2 CYS 54 2HB CYS 54 2.799 0.933 -3.868 435 HB3 CYS 54 3HB CYS 54 2.349 -0.570 -3.070 436 HG CYS 54 HG CYS 54 1.451 -1.698 -5.578 437 H THR 55 H THR 55 -0.008 0.277 -6.168 438 HA THR 55 HA THR 55 0.529 2.849 -7.212 439 HB THR 55 HB THR 55 -1.394 0.787 -8.328 440 HG1 THR 55 HG1 THR 55 0.407 -0.296 -8.587 441 HG21 THR 55 3HG2 THR 55 0.082 3.043 -9.706 442 HG22 THR 55 1HG2 THR 55 -1.643 3.030 -9.337 443 HG23 THR 55 2HG2 THR 55 -0.977 1.866 -10.481 444 H GLU 56 H GLU 56 -2.585 1.344 -6.261 445 HA GLU 56 HA GLU 56 -4.211 3.583 -6.782 446 HB2 GLU 56 2HB GLU 56 -4.550 1.285 -4.846 447 HB3 GLU 56 3HB GLU 56 -5.786 2.508 -5.097 448 HG2 GLU 56 2HG GLU 56 -4.675 0.726 -7.258 449 HG3 GLU 56 3HG GLU 56 -6.171 0.426 -6.374 450 H ALA 57 H ALA 57 -2.506 2.599 -3.820 451 HA ALA 57 HA ALA 57 -3.324 4.610 -2.088 452 HB1 ALA 57 3HB ALA 57 -0.584 3.346 -2.298 453 HB2 ALA 57 1HB ALA 57 -1.952 2.726 -1.372 454 HB3 ALA 57 2HB ALA 57 -1.193 4.250 -0.910 455 H GLY 58 H GLY 58 -0.621 4.667 -4.419 456 HA2 GLY 58 2HA GLY 58 0.228 7.313 -3.952 457 HA3 GLY 58 3HA GLY 58 0.463 6.415 -5.444 458 H MET 59 H MET 59 -2.281 6.033 -6.109 459 HA MET 59 HA MET 59 -2.817 8.475 -7.448 460 HB2 MET 59 2HB MET 59 -4.666 6.116 -7.016 461 HB3 MET 59 3HB MET 59 -4.917 7.416 -8.171 462 HG2 MET 59 2HG MET 59 -2.412 5.806 -8.336 463 HG3 MET 59 3HG MET 59 -3.920 5.111 -8.916 464 HE1 MET 59 3HE MET 59 -1.200 7.851 -9.386 465 HE2 MET 59 1HE MET 59 -2.589 8.913 -9.152 466 HE3 MET 59 2HE MET 59 -1.814 8.808 -10.733 467 H TYR 60 H TYR 60 -4.191 7.014 -4.525 468 HA TYR 60 HA TYR 60 -6.210 8.976 -4.136 469 HB2 TYR 60 2HB TYR 60 -4.889 7.175 -2.092 470 HB3 TYR 60 3HB TYR 60 -6.388 8.070 -1.855 471 HD1 TYR 60 HD2 TYR 60 -7.423 7.511 -4.750 472 HD2 TYR 60 HD1 TYR 60 -5.870 5.011 -1.669 473 HE1 TYR 60 HE2 TYR 60 -8.688 5.611 -5.661 474 HE2 TYR 60 HE1 TYR 60 -7.135 3.109 -2.570 475 HH TYR 60 HH TYR 60 -8.456 3.056 -5.614 476 H ALA 61 H ALA 61 -2.865 8.706 -3.049 477 HA ALA 61 HA ALA 61 -2.790 11.042 -1.475 478 HB1 ALA 61 3HB ALA 61 -1.019 9.351 -1.433 479 HB2 ALA 61 1HB ALA 61 -0.365 10.953 -1.772 480 HB3 ALA 61 2HB ALA 61 -0.560 9.786 -3.081 481 H LEU 62 H LEU 62 -1.894 10.562 -4.903 482 HA LEU 62 HA LEU 62 -1.165 13.220 -5.424 483 HB2 LEU 62 2HB LEU 62 -2.134 11.078 -7.319 484 HB3 LEU 62 3HB LEU 62 -1.432 12.603 -7.832 485 HG LEU 62 HG LEU 62 -0.027 10.437 -6.250 486 HD11 LEU 62 1HD1 LEU 62 1.352 10.180 -8.240 487 HD12 LEU 62 2HD1 LEU 62 0.400 11.407 -9.076 488 HD13 LEU 62 3HD1 LEU 62 -0.346 9.879 -8.610 489 HD21 LEU 62 3HD2 LEU 62 0.737 12.645 -5.552 490 HD22 LEU 62 1HD2 LEU 62 1.006 13.100 -7.235 491 HD23 LEU 62 2HD2 LEU 62 1.981 11.829 -6.497 492 H ARG 63 H ARG 63 -4.355 11.647 -5.783 493 HA ARG 63 HA ARG 63 -5.661 13.743 -7.122 494 HB2 ARG 63 2HB ARG 63 -7.742 12.791 -6.401 495 HB3 ARG 63 3HB ARG 63 -6.635 11.455 -6.690 496 HG2 ARG 63 2HG ARG 63 -6.295 11.118 -4.362 497 HG3 ARG 63 3HG ARG 63 -7.118 12.621 -3.957 498 HD2 ARG 63 2HD ARG 63 -9.208 11.601 -4.956 499 HD3 ARG 63 3HD ARG 63 -8.328 10.069 -5.013 500 HE ARG 63 HE ARG 63 -8.035 10.957 -2.440 501 HH11 ARG 63 1HH1 ARG 63 -10.733 10.184 -4.453 502 HH12 ARG 63 2HH1 ARG 63 -11.748 9.804 -3.106 503 HH21 ARG 63 1HH2 ARG 63 -9.355 10.492 -0.753 504 HH22 ARG 63 2HH2 ARG 63 -10.982 9.975 -1.043 505 H GLU 64 H GLU 64 -5.028 13.252 -3.683 506 HA GLU 64 HA GLU 64 -6.308 15.803 -3.001 507 HB2 GLU 64 2HB GLU 64 -5.165 13.601 -1.256 508 HB3 GLU 64 3HB GLU 64 -5.905 15.076 -0.642 509 HG2 GLU 64 2HG GLU 64 -8.018 14.454 -1.745 510 HG3 GLU 64 3HG GLU 64 -7.271 12.959 -2.301 511 H ARG 65 H ARG 65 -3.544 15.165 -4.317 512 HA ARG 65 HA ARG 65 -1.464 16.028 -4.404 513 HB2 ARG 65 2HB ARG 65 -2.869 18.321 -3.025 514 HB3 ARG 65 3HB ARG 65 -1.225 18.419 -3.638 515 HG2 ARG 65 2HG ARG 65 -2.485 19.364 -5.342 516 HG3 ARG 65 3HG ARG 65 -2.232 17.711 -5.902 517 HD2 ARG 65 2HD ARG 65 -4.512 18.242 -6.317 518 HD3 ARG 65 3HD ARG 65 -4.496 17.154 -4.927 519 HE ARG 65 HE ARG 65 -4.485 19.963 -4.264 520 HH11 ARG 65 1HH1 ARG 65 -6.467 17.206 -4.885 521 HH12 ARG 65 2HH1 ARG 65 -7.828 17.880 -4.059 522 HH21 ARG 65 1HH2 ARG 65 -6.256 20.804 -3.242 523 HH22 ARG 65 2HH2 ARG 65 -7.712 19.878 -3.148 524 H ARG 66 H ARG 66 -2.177 14.415 -2.004 525 HA ARG 66 HA ARG 66 -0.724 15.317 0.241 526 HB2 ARG 66 2HB ARG 66 -1.283 12.484 -0.684 527 HB3 ARG 66 3HB ARG 66 -0.662 12.915 0.903 528 HG2 ARG 66 2HG ARG 66 -2.719 14.092 1.427 529 HG3 ARG 66 3HG ARG 66 -3.338 13.777 -0.196 530 HD2 ARG 66 2HD ARG 66 -3.386 11.395 0.232 531 HD3 ARG 66 3HD ARG 66 -2.599 11.621 1.793 532 HE ARG 66 HE ARG 66 -4.938 13.109 1.843 533 HH11 ARG 66 1HH1 ARG 66 -4.104 9.771 1.475 534 HH12 ARG 66 2HH1 ARG 66 -5.514 9.233 2.309 535 HH21 ARG 66 1HH2 ARG 66 -6.731 12.371 2.926 536 HH22 ARG 66 2HH2 ARG 66 -6.970 10.676 3.138 537 H VAL 67 H VAL 67 1.420 15.570 0.508 538 HA VAL 67 HA VAL 67 3.307 14.661 -1.473 539 HB VAL 67 HB VAL 67 3.885 15.954 1.208 540 HG11 VAL 67 1HG1 VAL 67 6.008 16.622 0.169 541 HG12 VAL 67 2HG1 VAL 67 5.575 15.728 -1.289 542 HG13 VAL 67 3HG1 VAL 67 5.835 14.867 0.228 543 HG21 VAL 67 3HG2 VAL 67 2.396 17.364 -0.119 544 HG22 VAL 67 1HG2 VAL 67 3.495 17.256 -1.496 545 HG23 VAL 67 2HG2 VAL 67 4.005 18.075 -0.018 546 H HIS 68 H HIS 68 2.191 13.558 1.634 547 HA HIS 68 HA HIS 68 4.104 11.307 1.500 548 HB2 HIS 68 2HB HIS 68 4.032 11.123 3.914 549 HB3 HIS 68 3HB HIS 68 4.466 12.771 3.481 550 HD1 HIS 68 HD1 HIS 68 2.590 14.610 3.866 551 HD2 HIS 68 HD2 HIS 68 1.746 10.864 5.449 552 HE1 HIS 68 HE1 HIS 68 0.686 14.965 5.454 553 HE2 HIS 68 HE2 HIS 68 0.339 12.734 6.553 554 H VAL 69 H VAL 69 3.222 9.368 1.139 555 HA VAL 69 HA VAL 69 0.397 8.979 1.010 556 HB VAL 69 HB VAL 69 2.556 6.848 1.025 557 HG11 VAL 69 1HG1 VAL 69 -0.278 6.806 -0.031 558 HG12 VAL 69 2HG1 VAL 69 0.322 5.947 1.387 559 HG13 VAL 69 3HG1 VAL 69 0.906 5.510 -0.218 560 HG21 VAL 69 3HG2 VAL 69 3.014 8.502 -0.711 561 HG22 VAL 69 1HG2 VAL 69 1.365 8.348 -1.316 562 HG23 VAL 69 2HG2 VAL 69 2.477 6.984 -1.429 563 H THR 70 H THR 70 -0.992 8.280 2.546 564 HA THR 70 HA THR 70 0.104 7.865 5.237 565 HB THR 70 HB THR 70 -1.973 8.496 6.140 566 HG1 THR 70 HG1 THR 70 -3.249 8.449 3.608 567 HG21 THR 70 3HG2 THR 70 -1.650 10.118 3.604 568 HG22 THR 70 1HG2 THR 70 -0.800 10.397 5.127 569 HG23 THR 70 2HG2 THR 70 -2.548 10.613 5.039 570 H GLN 71 H GLN 71 -1.091 6.337 6.682 571 HA GLN 71 HA GLN 71 -1.141 3.696 5.775 572 HB2 GLN 71 2HB GLN 71 -0.950 4.346 8.151 573 HB3 GLN 71 3HB GLN 71 -2.605 4.935 8.131 574 HG2 GLN 71 2HG GLN 71 -2.645 2.829 9.196 575 HG3 GLN 71 3HG GLN 71 -3.332 2.590 7.593 576 HE21 GLN 71 1HE2 GLN 71 -2.085 0.667 9.426 577 HE22 GLN 71 2HE2 GLN 71 -0.805 -0.059 8.524 578 H GLU 72 H GLU 72 -3.619 6.153 5.854 579 HA GLU 72 HA GLU 72 -5.911 4.560 5.465 580 HB2 GLU 72 2HB GLU 72 -5.415 7.435 4.649 581 HB3 GLU 72 3HB GLU 72 -6.992 6.665 4.775 582 HG2 GLU 72 2HG GLU 72 -6.752 6.420 7.151 583 HG3 GLU 72 3HG GLU 72 -5.082 6.986 7.085 584 H ASP 73 H ASP 73 -3.778 6.213 3.138 585 HA ASP 73 HA ASP 73 -5.207 5.710 0.795 586 HB2 ASP 73 2HB ASP 73 -2.208 5.901 1.196 587 HB3 ASP 73 3HB ASP 73 -3.010 5.959 -0.371 588 H PHE 74 H PHE 74 -2.720 3.711 2.371 589 HA PHE 74 HA PHE 74 -2.671 1.669 0.417 590 HB2 PHE 74 2HB PHE 74 -1.832 1.741 3.311 591 HB3 PHE 74 3HB PHE 74 -1.688 0.276 2.348 592 HD1 PHE 74 HD2 PHE 74 -0.246 0.301 0.297 593 HD2 PHE 74 HD1 PHE 74 -0.221 3.473 3.141 594 HE1 PHE 74 HE2 PHE 74 1.923 1.059 -0.574 595 HE2 PHE 74 HE1 PHE 74 1.956 4.233 2.272 596 HZ PHE 74 HZ PHE 74 3.027 3.026 0.411 597 H GLU 75 H GLU 75 -4.373 1.721 3.593 598 HA GLU 75 HA GLU 75 -5.552 -0.822 3.243 599 HB2 GLU 75 2HB GLU 75 -7.110 -0.156 5.065 600 HB3 GLU 75 3HB GLU 75 -5.415 0.096 5.451 601 HG2 GLU 75 2HG GLU 75 -5.644 2.476 5.008 602 HG3 GLU 75 3HG GLU 75 -7.334 2.243 4.559 603 H MET 76 H MET 76 -6.741 2.410 2.360 604 HA MET 76 HA MET 76 -9.284 1.550 1.437 605 HB2 MET 76 2HB MET 76 -7.580 3.922 0.671 606 HB3 MET 76 3HB MET 76 -9.178 3.645 -0.001 607 HG2 MET 76 2HG MET 76 -10.051 3.642 2.365 608 HG3 MET 76 3HG MET 76 -8.456 4.208 2.863 609 HE1 MET 76 3HE MET 76 -11.574 5.005 0.558 610 HE2 MET 76 1HE MET 76 -10.184 5.079 -0.527 611 HE3 MET 76 2HE MET 76 -11.075 6.550 -0.131 612 H ALA 77 H ALA 77 -6.141 1.882 -0.175 613 HA ALA 77 HA ALA 77 -6.870 1.090 -2.751 614 HB1 ALA 77 3HB ALA 77 -4.527 0.453 -3.040 615 HB2 ALA 77 1HB ALA 77 -4.285 0.532 -1.295 616 HB3 ALA 77 2HB ALA 77 -4.669 1.995 -2.199 617 H VAL 78 H VAL 78 -5.932 -0.898 0.053 618 HA VAL 78 HA VAL 78 -6.174 -3.427 -1.130 619 HB VAL 78 HB VAL 78 -6.774 -2.615 1.727 620 HG11 VAL 78 1HG1 VAL 78 -7.823 -4.764 1.217 621 HG12 VAL 78 2HG1 VAL 78 -6.452 -4.978 2.303 622 HG13 VAL 78 3HG1 VAL 78 -6.290 -5.377 0.594 623 HG21 VAL 78 3HG2 VAL 78 -4.491 -2.104 1.045 624 HG22 VAL 78 1HG2 VAL 78 -4.273 -3.759 0.474 625 HG23 VAL 78 2HG2 VAL 78 -4.507 -3.442 2.192 626 H ALA 79 H ALA 79 -8.630 -1.525 0.620 627 HA ALA 79 HA ALA 79 -10.777 -3.309 0.260 628 HB1 ALA 79 3HB ALA 79 -10.898 -0.307 0.586 629 HB2 ALA 79 1HB ALA 79 -10.780 -1.478 1.902 630 HB3 ALA 79 2HB ALA 79 -12.215 -1.445 0.876 631 H LYS 80 H LYS 80 -9.333 -1.041 -1.943 632 HA LYS 80 HA LYS 80 -11.607 -1.068 -3.768 633 HB2 LYS 80 2HB LYS 80 -10.229 0.988 -3.413 634 HB3 LYS 80 3HB LYS 80 -8.864 0.156 -4.148 635 HG2 LYS 80 2HG LYS 80 -9.674 1.417 -5.901 636 HG3 LYS 80 3HG LYS 80 -10.440 -0.142 -6.189 637 HD2 LYS 80 2HD LYS 80 -11.791 2.120 -4.704 638 HD3 LYS 80 3HD LYS 80 -11.927 1.898 -6.446 639 HE2 LYS 80 2HE LYS 80 -12.974 -0.266 -6.122 640 HE3 LYS 80 3HE LYS 80 -12.742 -0.151 -4.378 641 HZ1 LYS 80 3HZ LYS 80 -14.994 0.419 -4.987 642 HZ2 LYS 80 1HZ LYS 80 -14.447 1.638 -6.025 643 HZ3 LYS 80 2HZ LYS 80 -14.208 1.775 -4.356 644 H VAL 81 H VAL 81 -8.367 -2.456 -3.573 645 HA VAL 81 HA VAL 81 -8.537 -3.665 -6.211 646 HB VAL 81 HB VAL 81 -6.416 -3.932 -4.062 647 HG11 VAL 81 1HG1 VAL 81 -6.398 -5.886 -5.516 648 HG12 VAL 81 2HG1 VAL 81 -4.996 -4.872 -5.848 649 HG13 VAL 81 3HG1 VAL 81 -6.377 -4.852 -6.945 650 HG21 VAL 81 3HG2 VAL 81 -6.455 -2.274 -6.590 651 HG22 VAL 81 1HG2 VAL 81 -5.095 -2.421 -5.476 652 HG23 VAL 81 2HG2 VAL 81 -6.594 -1.659 -4.944 653 H MET 82 H MET 82 -8.116 -4.930 -2.882 654 HA MET 82 HA MET 82 -8.767 -7.617 -3.603 655 HB2 MET 82 2HB MET 82 -8.865 -6.356 -0.849 656 HB3 MET 82 3HB MET 82 -8.762 -8.074 -1.214 657 HG2 MET 82 2HG MET 82 -6.646 -6.024 -1.862 658 HG3 MET 82 3HG MET 82 -6.616 -7.128 -0.490 659 HE1 MET 82 3HE MET 82 -6.053 -10.594 -2.102 660 HE2 MET 82 1HE MET 82 -7.557 -9.882 -1.517 661 HE3 MET 82 2HE MET 82 -6.061 -9.652 -0.610 662 H GLN 83 H GLN 83 -10.602 -4.822 -2.710 663 HA GLN 83 HA GLN 83 -12.820 -4.341 -2.750 664 HB2 GLN 83 2HB GLN 83 -13.031 -6.974 -4.225 665 HB3 GLN 83 3HB GLN 83 -14.283 -5.740 -4.160 666 HG2 GLN 83 2HG GLN 83 -12.804 -4.175 -5.322 667 HG3 GLN 83 3HG GLN 83 -11.545 -5.408 -5.387 668 HE21 GLN 83 1HE2 GLN 83 -14.606 -4.379 -6.638 669 HE22 GLN 83 2HE2 GLN 83 -14.647 -5.460 -7.983 670 H LYS 84 H LYS 84 -11.924 -5.484 -0.371 671 HA LYS 84 HA LYS 84 -14.315 -6.960 0.516 672 HB2 LYS 84 2HB LYS 84 -11.443 -7.632 1.197 673 HB3 LYS 84 3HB LYS 84 -12.841 -8.335 2.002 674 HG2 LYS 84 2HG LYS 84 -13.586 -9.311 -0.103 675 HG3 LYS 84 3HG LYS 84 -12.217 -8.579 -0.941 676 HD2 LYS 84 2HD LYS 84 -10.664 -9.918 0.363 677 HD3 LYS 84 3HD LYS 84 -11.996 -10.591 1.308 678 HE2 LYS 84 2HE LYS 84 -11.197 -12.131 -0.459 679 HE3 LYS 84 3HE LYS 84 -12.892 -11.690 -0.651 680 HZ1 LYS 84 3HZ LYS 84 -10.636 -10.451 -2.133 681 HZ2 LYS 84 1HZ LYS 84 -12.278 -10.120 -2.355 682 HZ3 LYS 84 2HZ LYS 84 -11.659 -11.642 -2.748 683 H ASP 85 H ASP 85 -15.326 -5.850 2.034 684 HA ASP 85 HA ASP 85 -14.050 -3.898 3.717 685 HB2 ASP 85 2HB ASP 85 -16.347 -3.544 3.058 686 HB3 ASP 85 3HB ASP 85 -16.831 -5.102 3.716 687 H SER 86 H SER 86 -15.446 -7.133 4.248 688 HA SER 86 HA SER 86 -13.426 -7.734 6.218 689 HB2 SER 86 2HB SER 86 -14.991 -8.309 8.045 690 HB3 SER 86 3HB SER 86 -15.050 -6.593 7.653 691 HG SER 86 HG SER 86 -16.908 -8.608 6.895 Start of MODEL 10 1 H1 MET 1 1H MET 1 11.378 -41.432 -6.806 2 H2 MET 1 2H MET 1 12.722 -40.903 -5.927 3 H3 MET 1 3H MET 1 11.612 -39.781 -6.533 4 HA MET 1 HA MET 1 9.908 -40.524 -5.089 5 HB2 MET 1 2HB MET 1 10.312 -42.298 -3.429 6 HB3 MET 1 3HB MET 1 10.443 -42.896 -5.074 7 HG2 MET 1 2HG MET 1 12.903 -42.764 -4.892 8 HG3 MET 1 3HG MET 1 12.724 -42.253 -3.214 9 HE1 MET 1 3HE MET 1 14.047 -45.958 -2.931 10 HE2 MET 1 1HE MET 1 14.357 -44.268 -2.523 11 HE3 MET 1 2HE MET 1 14.465 -44.808 -4.199 12 H GLY 2 H GLY 2 9.632 -39.615 -3.024 13 HA2 GLY 2 2HA GLY 2 11.231 -38.922 -1.016 14 HA3 GLY 2 3HA GLY 2 11.825 -37.827 -2.256 15 H HIS 3 H HIS 3 11.142 -35.998 -0.985 16 HA HIS 3 HA HIS 3 8.244 -35.491 -1.237 17 HB2 HIS 3 2HB HIS 3 9.971 -34.800 1.153 18 HB3 HIS 3 3HB HIS 3 8.330 -34.211 0.912 19 HD1 HIS 3 HD1 HIS 3 9.911 -36.558 2.891 20 HD2 HIS 3 HD2 HIS 3 6.631 -36.809 0.353 21 HE1 HIS 3 HE1 HIS 3 8.613 -38.559 3.662 22 HE2 HIS 3 HE2 HIS 3 6.520 -38.538 2.267 23 H HIS 4 H HIS 4 7.665 -33.514 -1.980 24 HA HIS 4 HA HIS 4 9.773 -31.867 -3.140 25 HB2 HIS 4 2HB HIS 4 7.860 -30.745 -4.309 26 HB3 HIS 4 3HB HIS 4 7.948 -32.477 -4.596 27 HD1 HIS 4 HD1 HIS 4 5.890 -33.822 -4.067 28 HD2 HIS 4 HD2 HIS 4 5.736 -29.989 -2.456 29 HE1 HIS 4 HE1 HIS 4 3.572 -33.576 -3.127 30 HE2 HIS 4 HE2 HIS 4 3.459 -31.204 -2.299 31 H HIS 5 H HIS 5 9.577 -31.697 -0.296 32 HA HIS 5 HA HIS 5 7.987 -29.468 0.495 33 HB2 HIS 5 2HB HIS 5 9.084 -29.677 2.670 34 HB3 HIS 5 3HB HIS 5 8.562 -31.246 2.071 35 HD1 HIS 5 HD1 HIS 5 10.937 -30.512 4.163 36 HD2 HIS 5 HD2 HIS 5 11.328 -31.824 0.242 37 HE1 HIS 5 HE1 HIS 5 13.225 -31.528 4.021 38 HE2 HIS 5 HE2 HIS 5 13.347 -32.501 1.707 39 H HIS 6 H HIS 6 8.767 -27.965 -1.200 40 HA HIS 6 HA HIS 6 10.503 -26.059 0.055 41 HB2 HIS 6 2HB HIS 6 12.113 -25.797 -1.790 42 HB3 HIS 6 3HB HIS 6 12.224 -27.385 -1.047 43 HD1 HIS 6 HD1 HIS 6 11.926 -29.388 -2.550 44 HD2 HIS 6 HD2 HIS 6 10.945 -25.810 -4.435 45 HE1 HIS 6 HE1 HIS 6 11.637 -29.959 -4.980 46 HE2 HIS 6 HE2 HIS 6 11.128 -27.771 -6.111 47 H HIS 7 H HIS 7 8.413 -26.938 -2.623 48 HA HIS 7 HA HIS 7 8.162 -24.336 -3.740 49 HB2 HIS 7 2HB HIS 7 7.537 -26.285 -5.034 50 HB3 HIS 7 3HB HIS 7 6.322 -26.737 -3.844 51 HD1 HIS 7 HD1 HIS 7 4.035 -25.657 -4.039 52 HD2 HIS 7 HD2 HIS 7 6.823 -24.024 -6.653 53 HE1 HIS 7 HE1 HIS 7 2.720 -24.199 -5.599 54 HE2 HIS 7 HE2 HIS 7 4.409 -23.304 -7.227 55 H HIS 8 H HIS 8 7.364 -22.607 -2.695 56 HA HIS 8 HA HIS 8 5.450 -22.894 -0.545 57 HB2 HIS 8 2HB HIS 8 5.571 -20.398 -0.421 58 HB3 HIS 8 3HB HIS 8 7.126 -21.199 -0.256 59 HD1 HIS 8 HD1 HIS 8 8.924 -20.633 -1.962 60 HD2 HIS 8 HD2 HIS 8 5.231 -18.947 -2.860 61 HE1 HIS 8 HE1 HIS 8 9.364 -18.983 -3.800 62 HE2 HIS 8 HE2 HIS 8 7.101 -18.071 -4.412 63 H SER 9 H SER 9 3.347 -23.112 -0.869 64 HA SER 9 HA SER 9 2.113 -22.883 -3.390 65 HB2 SER 9 2HB SER 9 1.238 -24.401 -1.701 66 HB3 SER 9 3HB SER 9 0.856 -23.049 -0.637 67 HG SER 9 HG SER 9 -0.808 -24.089 -2.213 68 H HIS 10 H HIS 10 1.937 -20.717 -0.560 69 HA HIS 10 HA HIS 10 0.820 -18.620 -2.309 70 HB2 HIS 10 2HB HIS 10 -0.722 -17.935 -0.520 71 HB3 HIS 10 3HB HIS 10 -1.025 -19.602 -0.996 72 HD1 HIS 10 HD1 HIS 10 -0.615 -21.430 0.759 73 HD2 HIS 10 HD2 HIS 10 0.337 -17.609 2.086 74 HE1 HIS 10 HE1 HIS 10 -0.236 -21.648 3.223 75 HE2 HIS 10 HE2 HIS 10 0.135 -19.301 4.028 76 HA PRO 11 HA PRO 11 3.821 -15.916 -0.365 77 HB2 PRO 11 2HB PRO 11 1.842 -13.727 -0.440 78 HB3 PRO 11 3HB PRO 11 3.395 -13.863 -1.269 79 HG2 PRO 11 2HG PRO 11 1.057 -14.043 -2.591 80 HG3 PRO 11 3HG PRO 11 2.484 -14.979 -3.076 81 HD2 PRO 11 2HD PRO 11 0.071 -15.863 -1.519 82 HD3 PRO 11 3HD PRO 11 0.954 -16.712 -2.809 83 H ASN 12 H ASN 12 4.142 -16.391 1.755 84 HA ASN 12 HA ASN 12 2.250 -16.278 3.828 85 HB2 ASN 12 2HB ASN 12 5.272 -16.125 3.896 86 HB3 ASN 12 3HB ASN 12 4.272 -16.268 5.338 87 HD21 ASN 12 1HD2 ASN 12 5.288 -18.239 5.812 88 HD22 ASN 12 2HD2 ASN 12 4.861 -19.687 4.975 89 H GLU 13 H GLU 13 2.478 -14.831 5.803 90 HA GLU 13 HA GLU 13 1.825 -12.202 5.108 91 HB2 GLU 13 2HB GLU 13 1.080 -13.242 7.192 92 HB3 GLU 13 3HB GLU 13 2.733 -13.278 7.789 93 HG2 GLU 13 2HG GLU 13 2.812 -10.921 8.010 94 HG3 GLU 13 3HG GLU 13 1.329 -10.711 7.077 95 H GLU 14 H GLU 14 4.842 -13.457 6.518 96 HA GLU 14 HA GLU 14 6.326 -11.089 6.568 97 HB2 GLU 14 2HB GLU 14 7.271 -13.920 6.038 98 HB3 GLU 14 3HB GLU 14 8.309 -12.579 6.506 99 HG2 GLU 14 2HG GLU 14 7.453 -12.503 8.673 100 HG3 GLU 14 3HG GLU 14 5.994 -13.389 8.231 101 H ALA 15 H ALA 15 5.532 -13.216 3.897 102 HA ALA 15 HA ALA 15 7.481 -12.166 2.069 103 HB1 ALA 15 3HB ALA 15 6.615 -14.452 1.862 104 HB2 ALA 15 1HB ALA 15 6.350 -13.522 0.389 105 HB3 ALA 15 2HB ALA 15 5.012 -13.814 1.501 106 H ARG 16 H ARG 16 3.914 -11.791 2.327 107 HA ARG 16 HA ARG 16 3.668 -9.916 0.235 108 HB2 ARG 16 2HB ARG 16 1.468 -9.360 1.196 109 HB3 ARG 16 3HB ARG 16 1.722 -11.096 1.115 110 HG2 ARG 16 2HG ARG 16 2.252 -11.136 3.507 111 HG3 ARG 16 3HG ARG 16 1.998 -9.392 3.589 112 HD2 ARG 16 2HD ARG 16 -0.338 -9.670 2.984 113 HD3 ARG 16 3HD ARG 16 -0.106 -11.408 2.778 114 HE ARG 16 HE ARG 16 0.576 -10.439 5.405 115 HH11 ARG 16 1HH1 ARG 16 -2.037 -11.496 3.419 116 HH12 ARG 16 2HH1 ARG 16 -2.948 -12.100 4.758 117 HH21 ARG 16 1HH2 ARG 16 -0.645 -11.195 7.129 118 HH22 ARG 16 2HH2 ARG 16 -2.176 -11.935 6.812 119 H LEU 17 H LEU 17 4.265 -9.480 3.695 120 HA LEU 17 HA LEU 17 4.176 -6.668 3.775 121 HB2 LEU 17 2HB LEU 17 4.155 -8.127 5.766 122 HB3 LEU 17 3HB LEU 17 5.822 -8.569 5.453 123 HG LEU 17 HG LEU 17 6.512 -6.232 5.840 124 HD11 LEU 17 1HD1 LEU 17 3.610 -5.782 6.527 125 HD12 LEU 17 2HD1 LEU 17 4.487 -5.089 5.161 126 HD13 LEU 17 3HD1 LEU 17 4.923 -4.638 6.808 127 HD21 LEU 17 3HD2 LEU 17 6.529 -7.845 7.690 128 HD22 LEU 17 1HD2 LEU 17 4.875 -7.390 8.100 129 HD23 LEU 17 2HD2 LEU 17 6.179 -6.213 8.255 130 H ASP 18 H ASP 18 6.762 -8.923 2.964 131 HA ASP 18 HA ASP 18 8.884 -7.072 2.804 132 HB2 ASP 18 2HB ASP 18 9.046 -9.606 2.865 133 HB3 ASP 18 3HB ASP 18 8.593 -9.603 1.165 134 H ILE 19 H ILE 19 6.738 -8.384 0.271 135 HA ILE 19 HA ILE 19 7.704 -6.994 -1.939 136 HB ILE 19 HB ILE 19 4.769 -7.548 -1.443 137 HG12 ILE 19 2HG1 ILE 19 6.768 -9.463 -2.684 138 HG13 ILE 19 3HG1 ILE 19 6.259 -9.554 -1.001 139 HG21 ILE 19 1HG2 ILE 19 5.241 -6.181 -3.410 140 HG22 ILE 19 2HG2 ILE 19 4.662 -7.777 -3.886 141 HG23 ILE 19 3HG2 ILE 19 6.380 -7.392 -3.997 142 HD11 ILE 19 3HD1 ILE 19 3.949 -9.889 -1.721 143 HD12 ILE 19 1HD1 ILE 19 5.029 -11.131 -2.355 144 HD13 ILE 19 2HD1 ILE 19 4.471 -9.830 -3.406 145 H LEU 20 H LEU 20 5.254 -5.996 0.427 146 HA LEU 20 HA LEU 20 4.558 -3.499 -0.578 147 HB2 LEU 20 2HB LEU 20 4.760 -4.549 2.244 148 HB3 LEU 20 3HB LEU 20 4.162 -2.935 1.902 149 HG LEU 20 HG LEU 20 2.903 -5.362 0.626 150 HD11 LEU 20 1HD1 LEU 20 1.216 -5.319 2.416 151 HD12 LEU 20 2HD1 LEU 20 2.204 -4.157 3.304 152 HD13 LEU 20 3HD1 LEU 20 2.812 -5.785 3.001 153 HD21 LEU 20 3HD2 LEU 20 0.964 -3.886 0.455 154 HD22 LEU 20 1HD2 LEU 20 2.371 -3.177 -0.333 155 HD23 LEU 20 2HD2 LEU 20 1.863 -2.595 1.253 156 H LYS 21 H LYS 21 7.167 -4.269 1.742 157 HA LYS 21 HA LYS 21 8.149 -1.667 2.081 158 HB2 LYS 21 2HB LYS 21 9.636 -4.303 2.213 159 HB3 LYS 21 3HB LYS 21 10.259 -2.771 2.812 160 HG2 LYS 21 2HG LYS 21 8.474 -2.647 4.450 161 HG3 LYS 21 3HG LYS 21 7.761 -4.130 3.814 162 HD2 LYS 21 2HD LYS 21 9.790 -5.372 4.449 163 HD3 LYS 21 3HD LYS 21 10.492 -3.889 5.098 164 HE2 LYS 21 2HE LYS 21 8.708 -3.741 6.745 165 HE3 LYS 21 3HE LYS 21 7.937 -5.173 6.066 166 HZ1 LYS 21 3HZ LYS 21 10.611 -5.095 7.359 167 HZ2 LYS 21 1HZ LYS 21 9.882 -6.471 6.695 168 HZ3 LYS 21 2HZ LYS 21 9.196 -5.718 8.041 169 H ILE 22 H ILE 22 8.836 -4.035 -0.447 170 HA ILE 22 HA ILE 22 11.071 -2.639 -1.573 171 HB ILE 22 HB ILE 22 9.294 -4.735 -2.852 172 HG12 ILE 22 2HG1 ILE 22 11.957 -5.042 -1.428 173 HG13 ILE 22 3HG1 ILE 22 10.392 -5.510 -0.772 174 HG21 ILE 22 1HG2 ILE 22 12.044 -3.759 -3.649 175 HG22 ILE 22 2HG2 ILE 22 10.541 -3.478 -4.526 176 HG23 ILE 22 3HG2 ILE 22 11.185 -5.113 -4.387 177 HD11 ILE 22 3HD1 ILE 22 11.695 -6.683 -3.218 178 HD12 ILE 22 1HD1 ILE 22 10.134 -7.156 -2.546 179 HD13 ILE 22 2HD1 ILE 22 11.609 -7.428 -1.622 180 H HIS 23 H HIS 23 7.596 -2.731 -2.379 181 HA HIS 23 HA HIS 23 7.999 -1.124 -4.762 182 HB2 HIS 23 2HB HIS 23 5.547 -2.296 -3.460 183 HB3 HIS 23 3HB HIS 23 5.438 -1.211 -4.842 184 HD1 HIS 23 HD1 HIS 23 5.517 -2.295 -7.059 185 HD2 HIS 23 HD2 HIS 23 7.202 -4.696 -4.116 186 HE1 HIS 23 HE1 HIS 23 6.021 -4.477 -8.182 187 HE2 HIS 23 HE2 HIS 23 7.239 -5.822 -6.444 188 H SER 24 H SER 24 6.514 -0.578 -1.562 189 HA SER 24 HA SER 24 5.437 1.979 -2.265 190 HB2 SER 24 2HB SER 24 4.846 2.182 0.103 191 HB3 SER 24 3HB SER 24 4.445 0.569 -0.490 192 HG SER 24 HG SER 24 5.914 -0.275 0.783 193 H ARG 25 H ARG 25 8.559 0.993 -1.263 194 HA ARG 25 HA ARG 25 9.321 3.168 0.334 195 HB2 ARG 25 2HB ARG 25 11.631 2.431 -0.032 196 HB3 ARG 25 3HB ARG 25 10.559 1.098 0.357 197 HG2 ARG 25 2HG ARG 25 10.486 0.477 -2.021 198 HG3 ARG 25 3HG ARG 25 11.593 1.803 -2.389 199 HD2 ARG 25 2HD ARG 25 13.303 0.795 -0.967 200 HD3 ARG 25 3HD ARG 25 12.195 -0.504 -0.529 201 HE ARG 25 HE ARG 25 12.406 -0.537 -3.294 202 HH11 ARG 25 1HH1 ARG 25 14.483 -0.999 -0.576 203 HH12 ARG 25 2HH1 ARG 25 15.551 -2.052 -1.434 204 HH21 ARG 25 1HH2 ARG 25 13.774 -1.910 -4.370 205 HH22 ARG 25 2HH2 ARG 25 15.147 -2.580 -3.553 206 H LYS 26 H LYS 26 8.583 3.342 -2.921 207 HA LYS 26 HA LYS 26 10.455 5.388 -3.693 208 HB2 LYS 26 2HB LYS 26 7.692 4.931 -4.842 209 HB3 LYS 26 3HB LYS 26 9.036 5.768 -5.604 210 HG2 LYS 26 2HG LYS 26 10.266 3.629 -5.707 211 HG3 LYS 26 3HG LYS 26 8.855 2.817 -5.020 212 HD2 LYS 26 2HD LYS 26 7.531 3.803 -6.971 213 HD3 LYS 26 3HD LYS 26 9.092 4.209 -7.687 214 HE2 LYS 26 2HE LYS 26 8.253 2.094 -8.565 215 HE3 LYS 26 3HE LYS 26 9.725 1.838 -7.628 216 HZ1 LYS 26 3HZ LYS 26 8.423 1.085 -5.780 217 HZ2 LYS 26 1HZ LYS 26 7.984 0.197 -7.148 218 HZ3 LYS 26 2HZ LYS 26 6.975 1.433 -6.581 219 H MET 27 H MET 27 7.185 5.331 -2.355 220 HA MET 27 HA MET 27 6.767 8.158 -2.779 221 HB2 MET 27 2HB MET 27 5.034 6.117 -1.373 222 HB3 MET 27 3HB MET 27 4.542 7.745 -1.826 223 HG2 MET 27 2HG MET 27 4.849 7.186 -4.182 224 HG3 MET 27 3HG MET 27 5.348 5.555 -3.733 225 HE1 MET 27 3HE MET 27 3.304 5.012 -1.262 226 HE2 MET 27 1HE MET 27 3.724 3.818 -2.491 227 HE3 MET 27 2HE MET 27 2.031 4.155 -2.128 228 H ASN 28 H ASN 28 6.117 9.637 -1.101 229 HA ASN 28 HA ASN 28 7.831 9.627 1.168 230 HB2 ASN 28 2HB ASN 28 5.421 11.392 0.648 231 HB3 ASN 28 3HB ASN 28 6.747 11.728 1.760 232 HD21 ASN 28 1HD2 ASN 28 5.746 13.217 -0.569 233 HD22 ASN 28 2HD2 ASN 28 7.115 13.417 -1.611 234 H LEU 29 H LEU 29 7.328 7.715 2.327 235 HA LEU 29 HA LEU 29 4.711 7.119 3.290 236 HB2 LEU 29 2HB LEU 29 7.394 6.160 4.308 237 HB3 LEU 29 3HB LEU 29 5.839 5.458 4.716 238 HG LEU 29 HG LEU 29 7.120 5.475 1.975 239 HD11 LEU 29 1HD1 LEU 29 7.266 3.052 2.278 240 HD12 LEU 29 2HD1 LEU 29 6.613 3.212 3.909 241 HD13 LEU 29 3HD1 LEU 29 8.182 3.914 3.512 242 HD21 LEU 29 3HD2 LEU 29 4.694 5.665 1.796 243 HD22 LEU 29 1HD2 LEU 29 4.492 4.276 2.864 244 HD23 LEU 29 2HD2 LEU 29 5.240 4.070 1.280 245 H THR 30 H THR 30 3.635 7.990 4.942 246 HA THR 30 HA THR 30 4.537 10.221 6.358 247 HB THR 30 HB THR 30 2.147 9.686 6.023 248 HG1 THR 30 HG1 THR 30 1.509 10.271 8.228 249 HG21 THR 30 3HG2 THR 30 2.217 7.281 6.506 250 HG22 THR 30 1HG2 THR 30 1.023 8.097 7.513 251 HG23 THR 30 2HG2 THR 30 2.578 7.626 8.197 252 H ARG 31 H ARG 31 4.899 10.539 8.628 253 HA ARG 31 HA ARG 31 6.825 8.779 9.714 254 HB2 ARG 31 2HB ARG 31 5.327 11.076 10.993 255 HB3 ARG 31 3HB ARG 31 6.748 10.298 11.681 256 HG2 ARG 31 2HG ARG 31 8.135 11.072 9.903 257 HG3 ARG 31 3HG ARG 31 6.741 11.626 8.975 258 HD2 ARG 31 2HD ARG 31 7.586 12.740 11.650 259 HD3 ARG 31 3HD ARG 31 7.982 13.461 10.089 260 HE ARG 31 HE ARG 31 5.211 13.142 10.210 261 HH11 ARG 31 1HH1 ARG 31 7.674 14.978 11.768 262 HH12 ARG 31 2HH1 ARG 31 6.612 16.289 12.145 263 HH21 ARG 31 1HH2 ARG 31 3.864 14.850 10.696 264 HH22 ARG 31 2HH2 ARG 31 4.501 16.222 11.538 265 H GLY 32 H GLY 32 6.545 6.938 10.789 266 HA2 GLY 32 2HA GLY 32 5.751 5.478 12.406 267 HA3 GLY 32 3HA GLY 32 4.527 6.657 12.839 268 H ILE 33 H ILE 33 4.943 5.453 9.560 269 HA ILE 33 HA ILE 33 2.207 4.637 9.425 270 HB ILE 33 HB ILE 33 3.321 5.552 7.465 271 HG12 ILE 33 2HG1 ILE 33 2.545 2.654 7.027 272 HG13 ILE 33 3HG1 ILE 33 1.417 4.001 7.144 273 HG21 ILE 33 1HG2 ILE 33 5.013 4.269 6.222 274 HG22 ILE 33 2HG2 ILE 33 5.042 3.068 7.514 275 HG23 ILE 33 3HG2 ILE 33 5.576 4.720 7.833 276 HD11 ILE 33 3HD1 ILE 33 3.512 3.630 5.013 277 HD12 ILE 33 1HD1 ILE 33 2.382 4.980 5.127 278 HD13 ILE 33 2HD1 ILE 33 1.781 3.349 4.838 279 H ASN 34 H ASN 34 1.290 2.665 9.642 280 HA ASN 34 HA ASN 34 2.989 0.409 10.450 281 HB2 ASN 34 2HB ASN 34 1.122 1.118 11.931 282 HB3 ASN 34 3HB ASN 34 -0.019 0.755 10.644 283 HD21 ASN 34 1HD2 ASN 34 0.116 -0.342 13.295 284 HD22 ASN 34 2HD2 ASN 34 0.312 -2.048 13.121 285 H LEU 35 H LEU 35 3.477 -1.094 8.961 286 HA LEU 35 HA LEU 35 1.911 -1.210 6.485 287 HB2 LEU 35 2HB LEU 35 4.627 -2.355 7.144 288 HB3 LEU 35 3HB LEU 35 3.837 -2.482 5.582 289 HG LEU 35 HG LEU 35 4.739 0.089 6.903 290 HD11 LEU 35 1HD1 LEU 35 6.373 0.186 5.076 291 HD12 LEU 35 2HD1 LEU 35 5.837 -1.397 4.514 292 HD13 LEU 35 3HD1 LEU 35 6.611 -1.237 6.091 293 HD21 LEU 35 3HD2 LEU 35 2.728 0.451 5.582 294 HD22 LEU 35 1HD2 LEU 35 3.457 -0.377 4.205 295 HD23 LEU 35 2HD2 LEU 35 4.127 1.153 4.772 296 H ARG 36 H ARG 36 2.811 -3.296 9.221 297 HA ARG 36 HA ARG 36 2.051 -5.746 8.023 298 HB2 ARG 36 2HB ARG 36 3.334 -5.627 10.163 299 HB3 ARG 36 3HB ARG 36 1.865 -5.087 10.976 300 HG2 ARG 36 2HG ARG 36 0.765 -7.211 10.194 301 HG3 ARG 36 3HG ARG 36 2.346 -7.744 9.629 302 HD2 ARG 36 2HD ARG 36 3.204 -7.559 11.936 303 HD3 ARG 36 3HD ARG 36 1.588 -7.098 12.480 304 HE ARG 36 HE ARG 36 1.844 -9.627 11.049 305 HH11 ARG 36 1HH1 ARG 36 1.473 -8.044 14.097 306 HH12 ARG 36 2HH1 ARG 36 0.929 -9.484 14.888 307 HH21 ARG 36 1HH2 ARG 36 1.178 -11.439 12.065 308 HH22 ARG 36 2HH2 ARG 36 0.771 -11.395 13.751 309 H LYS 37 H LYS 37 0.211 -3.468 10.037 310 HA LYS 37 HA LYS 37 -2.213 -4.822 10.179 311 HB2 LYS 37 2HB LYS 37 -1.585 -2.739 11.413 312 HB3 LYS 37 3HB LYS 37 -1.824 -1.822 9.938 313 HG2 LYS 37 2HG LYS 37 -4.061 -3.469 11.036 314 HG3 LYS 37 3HG LYS 37 -3.685 -1.901 11.749 315 HD2 LYS 37 2HD LYS 37 -3.834 -0.969 9.369 316 HD3 LYS 37 3HD LYS 37 -4.568 -2.515 8.931 317 HE2 LYS 37 2HE LYS 37 -6.341 -2.157 10.557 318 HE3 LYS 37 3HE LYS 37 -5.589 -0.649 11.071 319 HZ1 LYS 37 3HZ LYS 37 -7.386 -0.185 9.580 320 HZ2 LYS 37 1HZ LYS 37 -6.750 -1.217 8.402 321 HZ3 LYS 37 2HZ LYS 37 -5.933 0.201 8.807 322 H ILE 38 H ILE 38 -0.882 -2.869 7.570 323 HA ILE 38 HA ILE 38 -3.155 -2.916 5.861 324 HB ILE 38 HB ILE 38 -0.215 -2.694 5.152 325 HG12 ILE 38 2HG1 ILE 38 -0.929 -0.903 6.644 326 HG13 ILE 38 3HG1 ILE 38 -0.675 -0.263 5.025 327 HG21 ILE 38 1HG2 ILE 38 -2.649 -2.036 3.484 328 HG22 ILE 38 2HG2 ILE 38 -1.531 -3.375 3.216 329 HG23 ILE 38 3HG2 ILE 38 -0.974 -1.711 3.035 330 HD11 ILE 38 3HD1 ILE 38 -3.324 -0.899 6.298 331 HD12 ILE 38 1HD1 ILE 38 -3.100 -0.332 4.643 332 HD13 ILE 38 2HD1 ILE 38 -2.647 0.700 5.997 333 H ALA 39 H ALA 39 -0.211 -4.926 5.963 334 HA ALA 39 HA ALA 39 -0.809 -6.663 3.868 335 HB1 ALA 39 3HB ALA 39 0.841 -8.169 4.857 336 HB2 ALA 39 1HB ALA 39 0.775 -7.264 6.370 337 HB3 ALA 39 2HB ALA 39 1.402 -6.497 4.912 338 H GLU 40 H GLU 40 -1.689 -6.898 7.303 339 HA GLU 40 HA GLU 40 -2.793 -9.483 7.254 340 HB2 GLU 40 2HB GLU 40 -3.513 -7.128 9.016 341 HB3 GLU 40 3HB GLU 40 -4.001 -8.791 9.312 342 HG2 GLU 40 2HG GLU 40 -1.586 -9.403 9.452 343 HG3 GLU 40 3HG GLU 40 -1.195 -7.689 9.327 344 H LEU 41 H LEU 41 -4.062 -6.448 6.126 345 HA LEU 41 HA LEU 41 -6.798 -7.413 5.939 346 HB2 LEU 41 2HB LEU 41 -5.504 -4.868 4.941 347 HB3 LEU 41 3HB LEU 41 -7.220 -5.220 4.837 348 HG LEU 41 HG LEU 41 -5.635 -4.894 7.394 349 HD11 LEU 41 1HD1 LEU 41 -6.943 -2.851 7.689 350 HD12 LEU 41 2HD1 LEU 41 -7.712 -3.109 6.122 351 HD13 LEU 41 3HD1 LEU 41 -5.981 -2.785 6.212 352 HD21 LEU 41 3HD2 LEU 41 -7.426 -6.514 7.688 353 HD22 LEU 41 1HD2 LEU 41 -8.585 -5.395 6.971 354 HD23 LEU 41 2HD2 LEU 41 -7.824 -5.009 8.515 355 H MET 42 H MET 42 -4.182 -8.248 4.258 356 HA MET 42 HA MET 42 -5.578 -8.349 1.652 357 HB2 MET 42 2HB MET 42 -2.602 -8.639 2.137 358 HB3 MET 42 3HB MET 42 -3.413 -8.499 0.582 359 HG2 MET 42 2HG MET 42 -4.071 -6.212 1.122 360 HG3 MET 42 3HG MET 42 -3.292 -6.353 2.696 361 HE1 MET 42 3HE MET 42 -1.076 -6.239 -1.353 362 HE2 MET 42 1HE MET 42 -2.818 -6.041 -1.162 363 HE3 MET 42 2HE MET 42 -2.073 -7.614 -0.878 364 HA PRO 43 HA PRO 43 -5.396 -12.757 3.111 365 HB2 PRO 43 2HB PRO 43 -8.098 -13.031 2.067 366 HB3 PRO 43 3HB PRO 43 -7.533 -13.198 3.730 367 HG2 PRO 43 2HG PRO 43 -9.123 -11.146 2.876 368 HG3 PRO 43 3HG PRO 43 -7.997 -11.009 4.241 369 HD2 PRO 43 2HD PRO 43 -7.670 -10.084 1.406 370 HD3 PRO 43 3HD PRO 43 -7.218 -9.267 2.917 371 H GLY 44 H GLY 44 -4.091 -13.734 1.630 372 HA2 GLY 44 2HA GLY 44 -3.553 -14.990 -0.233 373 HA3 GLY 44 3HA GLY 44 -5.234 -14.886 -0.724 374 H ALA 45 H ALA 45 -2.574 -12.540 -0.324 375 HA ALA 45 HA ALA 45 -3.210 -11.466 -3.000 376 HB1 ALA 45 3HB ALA 45 -2.291 -9.344 -2.247 377 HB2 ALA 45 1HB ALA 45 -1.880 -10.055 -0.685 378 HB3 ALA 45 2HB ALA 45 -3.570 -9.883 -1.159 379 H SER 46 H SER 46 -1.566 -11.057 -4.463 380 HA SER 46 HA SER 46 1.109 -12.115 -3.780 381 HB2 SER 46 2HB SER 46 -0.333 -12.293 -6.440 382 HB3 SER 46 3HB SER 46 1.316 -12.841 -6.138 383 HG SER 46 HG SER 46 -1.111 -13.870 -5.095 384 H GLY 47 H GLY 47 2.512 -11.376 -6.019 385 HA2 GLY 47 2HA GLY 47 3.386 -8.846 -5.299 386 HA3 GLY 47 3HA GLY 47 3.767 -9.643 -6.813 387 H ALA 48 H ALA 48 1.210 -9.644 -8.031 388 HA ALA 48 HA ALA 48 1.209 -7.048 -9.146 389 HB1 ALA 48 3HB ALA 48 -0.934 -9.161 -9.364 390 HB2 ALA 48 1HB ALA 48 0.488 -9.025 -10.398 391 HB3 ALA 48 2HB ALA 48 -0.742 -7.760 -10.418 392 H GLU 49 H GLU 49 -1.011 -8.592 -6.832 393 HA GLU 49 HA GLU 49 -2.830 -6.476 -6.556 394 HB2 GLU 49 2HB GLU 49 -1.992 -8.586 -4.552 395 HB3 GLU 49 3HB GLU 49 -3.339 -7.485 -4.306 396 HG2 GLU 49 2HG GLU 49 -4.270 -9.523 -5.040 397 HG3 GLU 49 3HG GLU 49 -4.361 -8.419 -6.409 398 H VAL 50 H VAL 50 0.108 -7.212 -4.676 399 HA VAL 50 HA VAL 50 0.045 -5.027 -2.933 400 HB VAL 50 HB VAL 50 2.473 -6.408 -4.107 401 HG11 VAL 50 1HG1 VAL 50 2.246 -4.652 -1.658 402 HG12 VAL 50 2HG1 VAL 50 3.084 -4.247 -3.157 403 HG13 VAL 50 3HG1 VAL 50 3.678 -5.559 -2.140 404 HG21 VAL 50 3HG2 VAL 50 0.980 -6.909 -1.524 405 HG22 VAL 50 1HG2 VAL 50 2.467 -7.717 -2.025 406 HG23 VAL 50 2HG2 VAL 50 0.980 -7.954 -2.945 407 H LYS 51 H LYS 51 1.438 -5.282 -6.199 408 HA LYS 51 HA LYS 51 2.505 -2.677 -6.346 409 HB2 LYS 51 2HB LYS 51 3.091 -4.419 -7.966 410 HB3 LYS 51 3HB LYS 51 1.440 -4.436 -8.573 411 HG2 LYS 51 2HG LYS 51 1.702 -2.124 -9.342 412 HG3 LYS 51 3HG LYS 51 3.356 -2.112 -8.732 413 HD2 LYS 51 2HD LYS 51 3.970 -3.881 -10.295 414 HD3 LYS 51 3HD LYS 51 2.303 -3.974 -10.872 415 HE2 LYS 51 2HE LYS 51 2.463 -1.640 -11.651 416 HE3 LYS 51 3HE LYS 51 4.137 -1.585 -11.103 417 HZ1 LYS 51 3HZ LYS 51 3.910 -2.010 -13.496 418 HZ2 LYS 51 1HZ LYS 51 3.100 -3.458 -13.162 419 HZ3 LYS 51 2HZ LYS 51 4.717 -3.263 -12.696 420 H GLY 52 H GLY 52 -0.713 -3.942 -7.170 421 HA2 GLY 52 2HA GLY 52 -1.837 -1.571 -8.185 422 HA3 GLY 52 3HA GLY 52 -2.735 -2.876 -7.427 423 H VAL 53 H VAL 53 -1.814 -2.833 -4.858 424 HA VAL 53 HA VAL 53 -3.202 -0.747 -3.614 425 HB VAL 53 HB VAL 53 -0.976 -2.463 -2.481 426 HG11 VAL 53 1HG1 VAL 53 -1.320 -0.468 -1.110 427 HG12 VAL 53 2HG1 VAL 53 -1.889 -1.911 -0.272 428 HG13 VAL 53 3HG1 VAL 53 -3.048 -0.812 -1.022 429 HG21 VAL 53 3HG2 VAL 53 -3.982 -2.807 -2.380 430 HG22 VAL 53 1HG2 VAL 53 -2.800 -3.840 -1.572 431 HG23 VAL 53 2HG2 VAL 53 -2.856 -3.774 -3.334 432 H CYS 54 H CYS 54 0.324 -1.149 -4.025 433 HA CYS 54 HA CYS 54 1.113 1.253 -2.806 434 HB2 CYS 54 2HB CYS 54 2.692 -0.555 -3.295 435 HB3 CYS 54 3HB CYS 54 2.489 -0.283 -5.023 436 HG CYS 54 HG CYS 54 4.084 1.780 -5.266 437 H THR 55 H THR 55 0.316 0.566 -6.201 438 HA THR 55 HA THR 55 1.067 3.108 -7.214 439 HB THR 55 HB THR 55 -0.944 1.170 -8.393 440 HG1 THR 55 HG1 THR 55 0.779 -0.022 -8.685 441 HG21 THR 55 3HG2 THR 55 -1.081 3.398 -9.400 442 HG22 THR 55 1HG2 THR 55 -0.368 2.250 -10.532 443 HG23 THR 55 2HG2 THR 55 0.662 3.397 -9.676 444 H GLU 56 H GLU 56 -2.179 1.779 -6.441 445 HA GLU 56 HA GLU 56 -3.575 4.172 -6.960 446 HB2 GLU 56 2HB GLU 56 -4.235 1.705 -5.385 447 HB3 GLU 56 3HB GLU 56 -5.304 3.099 -5.305 448 HG2 GLU 56 2HG GLU 56 -4.520 1.604 -7.807 449 HG3 GLU 56 3HG GLU 56 -6.068 1.498 -6.968 450 H ALA 57 H ALA 57 -2.070 2.982 -3.973 451 HA ALA 57 HA ALA 57 -2.983 4.903 -2.176 452 HB1 ALA 57 3HB ALA 57 -1.635 2.970 -1.501 453 HB2 ALA 57 1HB ALA 57 -0.952 4.474 -0.883 454 HB3 ALA 57 2HB ALA 57 -0.220 3.679 -2.277 455 H GLY 58 H GLY 58 -0.115 5.067 -4.299 456 HA2 GLY 58 2HA GLY 58 0.608 7.730 -3.685 457 HA3 GLY 58 3HA GLY 58 1.041 6.861 -5.149 458 H MET 59 H MET 59 -1.544 6.400 -6.179 459 HA MET 59 HA MET 59 -2.049 8.875 -7.460 460 HB2 MET 59 2HB MET 59 -3.730 6.363 -7.397 461 HB3 MET 59 3HB MET 59 -4.023 7.735 -8.455 462 HG2 MET 59 2HG MET 59 -1.447 7.232 -9.068 463 HG3 MET 59 3HG MET 59 -1.982 5.612 -8.628 464 HE1 MET 59 3HE MET 59 -4.021 8.559 -10.212 465 HE2 MET 59 1HE MET 59 -3.897 8.192 -11.932 466 HE3 MET 59 2HE MET 59 -2.458 8.659 -11.022 467 H TYR 60 H TYR 60 -3.556 7.330 -4.656 468 HA TYR 60 HA TYR 60 -5.768 9.068 -4.398 469 HB2 TYR 60 2HB TYR 60 -4.176 7.538 -2.334 470 HB3 TYR 60 3HB TYR 60 -5.570 8.521 -1.906 471 HD1 TYR 60 HD2 TYR 60 -7.545 7.957 -3.924 472 HD2 TYR 60 HD1 TYR 60 -4.741 5.295 -2.129 473 HE1 TYR 60 HE2 TYR 60 -9.040 6.065 -4.397 474 HE2 TYR 60 HE1 TYR 60 -6.238 3.403 -2.594 475 HH TYR 60 HH TYR 60 -8.589 2.977 -3.024 476 H ALA 61 H ALA 61 -2.508 9.231 -2.983 477 HA ALA 61 HA ALA 61 -2.673 11.694 -1.718 478 HB1 ALA 61 3HB ALA 61 -0.756 10.191 -1.485 479 HB2 ALA 61 1HB ALA 61 -0.235 11.811 -1.943 480 HB3 ALA 61 2HB ALA 61 -0.279 10.525 -3.150 481 H LEU 62 H LEU 62 -1.543 11.064 -5.064 482 HA LEU 62 HA LEU 62 -1.095 13.711 -5.813 483 HB2 LEU 62 2HB LEU 62 -1.989 11.387 -7.525 484 HB3 LEU 62 3HB LEU 62 -1.376 12.907 -8.154 485 HG LEU 62 HG LEU 62 0.189 10.948 -6.458 486 HD11 LEU 62 1HD1 LEU 62 0.378 11.599 -9.400 487 HD12 LEU 62 2HD1 LEU 62 -0.211 10.093 -8.698 488 HD13 LEU 62 3HD1 LEU 62 1.481 10.551 -8.506 489 HD21 LEU 62 3HD2 LEU 62 1.037 13.541 -7.758 490 HD22 LEU 62 1HD2 LEU 62 2.123 12.383 -6.985 491 HD23 LEU 62 2HD2 LEU 62 0.906 13.226 -6.028 492 H ARG 63 H ARG 63 -4.066 11.787 -6.319 493 HA ARG 63 HA ARG 63 -5.449 13.823 -7.710 494 HB2 ARG 63 2HB ARG 63 -7.355 12.416 -7.630 495 HB3 ARG 63 3HB ARG 63 -5.971 11.341 -7.735 496 HG2 ARG 63 2HG ARG 63 -6.121 10.997 -5.273 497 HG3 ARG 63 3HG ARG 63 -7.594 11.967 -5.271 498 HD2 ARG 63 2HD ARG 63 -8.403 9.786 -5.364 499 HD3 ARG 63 3HD ARG 63 -8.440 10.293 -7.049 500 HE ARG 63 HE ARG 63 -6.000 8.992 -6.412 501 HH11 ARG 63 1HH1 ARG 63 -9.288 8.410 -7.256 502 HH12 ARG 63 2HH1 ARG 63 -9.002 6.761 -7.697 503 HH21 ARG 63 1HH2 ARG 63 -5.646 6.865 -6.973 504 HH22 ARG 63 2HH2 ARG 63 -6.953 5.891 -7.538 505 H GLU 64 H GLU 64 -4.994 13.268 -4.309 506 HA GLU 64 HA GLU 64 -7.020 15.311 -3.662 507 HB2 GLU 64 2HB GLU 64 -5.656 13.270 -1.900 508 HB3 GLU 64 3HB GLU 64 -6.769 14.498 -1.310 509 HG2 GLU 64 2HG GLU 64 -8.553 13.557 -2.694 510 HG3 GLU 64 3HG GLU 64 -7.440 12.334 -3.301 511 H ARG 65 H ARG 65 -3.985 15.484 -4.529 512 HA ARG 65 HA ARG 65 -2.278 16.961 -4.221 513 HB2 ARG 65 2HB ARG 65 -4.414 18.512 -2.744 514 HB3 ARG 65 3HB ARG 65 -2.868 19.172 -3.257 515 HG2 ARG 65 2HG ARG 65 -5.013 18.099 -5.087 516 HG3 ARG 65 3HG ARG 65 -4.680 19.801 -4.770 517 HD2 ARG 65 2HD ARG 65 -2.359 19.423 -5.650 518 HD3 ARG 65 3HD ARG 65 -2.865 17.803 -6.126 519 HE ARG 65 HE ARG 65 -4.619 19.023 -7.490 520 HH11 ARG 65 1HH1 ARG 65 -1.509 20.360 -6.814 521 HH12 ARG 65 2HH1 ARG 65 -1.527 21.365 -8.222 522 HH21 ARG 65 1HH2 ARG 65 -4.615 20.320 -9.277 523 HH22 ARG 65 2HH2 ARG 65 -3.260 21.340 -9.599 524 H ARG 66 H ARG 66 -2.373 14.844 -2.322 525 HA ARG 66 HA ARG 66 -1.395 16.113 0.146 526 HB2 ARG 66 2HB ARG 66 -2.334 13.300 -0.438 527 HB3 ARG 66 3HB ARG 66 -1.546 13.750 1.072 528 HG2 ARG 66 2HG ARG 66 -3.322 15.361 1.533 529 HG3 ARG 66 3HG ARG 66 -4.102 14.945 0.007 530 HD2 ARG 66 2HD ARG 66 -3.567 12.930 2.189 531 HD3 ARG 66 3HD ARG 66 -5.064 13.854 2.079 532 HE ARG 66 HE ARG 66 -5.460 12.768 -0.067 533 HH11 ARG 66 1HH1 ARG 66 -3.071 11.324 1.949 534 HH12 ARG 66 2HH1 ARG 66 -3.307 9.746 1.281 535 HH21 ARG 66 1HH2 ARG 66 -5.738 10.741 -0.922 536 HH22 ARG 66 2HH2 ARG 66 -4.779 9.431 -0.322 537 H VAL 67 H VAL 67 0.676 15.919 0.814 538 HA VAL 67 HA VAL 67 2.612 15.158 -1.194 539 HB VAL 67 HB VAL 67 3.105 16.262 1.582 540 HG11 VAL 67 1HG1 VAL 67 5.264 16.980 0.679 541 HG12 VAL 67 2HG1 VAL 67 4.881 16.211 -0.861 542 HG13 VAL 67 3HG1 VAL 67 5.083 15.228 0.589 543 HG21 VAL 67 3HG2 VAL 67 3.274 18.458 0.504 544 HG22 VAL 67 1HG2 VAL 67 1.665 17.764 0.310 545 HG23 VAL 67 2HG2 VAL 67 2.804 17.737 -1.036 546 H HIS 68 H HIS 68 1.738 14.030 2.075 547 HA HIS 68 HA HIS 68 3.694 11.843 1.766 548 HB2 HIS 68 2HB HIS 68 3.607 11.575 4.208 549 HB3 HIS 68 3HB HIS 68 4.084 13.204 3.752 550 HD1 HIS 68 HD1 HIS 68 2.664 15.108 4.610 551 HD2 HIS 68 HD2 HIS 68 0.962 11.386 5.322 552 HE1 HIS 68 HE1 HIS 68 0.737 15.535 6.155 553 HE2 HIS 68 HE2 HIS 68 -0.367 13.297 6.441 554 H VAL 69 H VAL 69 3.045 9.791 1.604 555 HA VAL 69 HA VAL 69 0.228 9.166 1.456 556 HB VAL 69 HB VAL 69 2.599 7.289 1.232 557 HG11 VAL 69 1HG1 VAL 69 0.489 6.134 1.689 558 HG12 VAL 69 2HG1 VAL 69 1.036 5.816 0.043 559 HG13 VAL 69 3HG1 VAL 69 -0.271 6.965 0.329 560 HG21 VAL 69 3HG2 VAL 69 1.092 8.760 -0.941 561 HG22 VAL 69 1HG2 VAL 69 2.342 7.540 -1.203 562 HG23 VAL 69 2HG2 VAL 69 2.753 9.072 -0.430 563 H THR 70 H THR 70 -0.982 8.060 2.924 564 HA THR 70 HA THR 70 0.278 7.545 5.548 565 HB THR 70 HB THR 70 -1.823 8.003 6.594 566 HG1 THR 70 HG1 THR 70 -2.984 8.281 3.997 567 HG21 THR 70 3HG2 THR 70 -1.393 10.017 4.377 568 HG22 THR 70 1HG2 THR 70 -0.585 10.011 5.946 569 HG23 THR 70 2HG2 THR 70 -2.322 10.298 5.849 570 H GLN 71 H GLN 71 -0.850 5.861 6.901 571 HA GLN 71 HA GLN 71 -0.963 3.343 5.691 572 HB2 GLN 71 2HB GLN 71 -0.616 3.649 8.098 573 HB3 GLN 71 3HB GLN 71 -2.247 4.286 8.270 574 HG2 GLN 71 2HG GLN 71 -3.165 2.119 7.607 575 HG3 GLN 71 3HG GLN 71 -1.533 1.481 7.423 576 HE21 GLN 71 1HE2 GLN 71 -1.839 -0.107 8.958 577 HE22 GLN 71 2HE2 GLN 71 -1.947 0.237 10.646 578 H GLU 72 H GLU 72 -3.460 5.735 6.259 579 HA GLU 72 HA GLU 72 -5.757 4.204 5.801 580 HB2 GLU 72 2HB GLU 72 -5.304 7.138 5.188 581 HB3 GLU 72 3HB GLU 72 -6.872 6.353 5.357 582 HG2 GLU 72 2HG GLU 72 -6.447 5.898 7.690 583 HG3 GLU 72 3HG GLU 72 -4.806 6.520 7.553 584 H ASP 73 H ASP 73 -3.648 5.927 3.534 585 HA ASP 73 HA ASP 73 -5.134 5.556 1.189 586 HB2 ASP 73 2HB ASP 73 -2.147 5.760 1.618 587 HB3 ASP 73 3HB ASP 73 -2.902 5.765 0.025 588 H PHE 74 H PHE 74 -2.585 3.493 2.592 589 HA PHE 74 HA PHE 74 -2.561 1.572 0.544 590 HB2 PHE 74 2HB PHE 74 -1.724 1.429 3.440 591 HB3 PHE 74 3HB PHE 74 -1.529 0.070 2.338 592 HD1 PHE 74 HD2 PHE 74 -0.025 0.252 0.390 593 HD2 PHE 74 HD1 PHE 74 -0.254 3.320 3.342 594 HE1 PHE 74 HE2 PHE 74 2.100 1.186 -0.420 595 HE2 PHE 74 HE1 PHE 74 1.873 4.254 2.533 596 HZ PHE 74 HZ PHE 74 3.049 3.191 0.649 597 H GLU 75 H GLU 75 -4.254 1.423 3.719 598 HA GLU 75 HA GLU 75 -5.439 -1.084 3.207 599 HB2 GLU 75 2HB GLU 75 -7.028 -0.489 5.056 600 HB3 GLU 75 3HB GLU 75 -5.324 -0.367 5.464 601 HG2 GLU 75 2HG GLU 75 -5.475 2.091 5.073 602 HG3 GLU 75 3HG GLU 75 -7.217 1.895 4.869 603 H MET 76 H MET 76 -6.579 2.194 2.440 604 HA MET 76 HA MET 76 -9.111 1.451 1.436 605 HB2 MET 76 2HB MET 76 -7.254 3.728 0.798 606 HB3 MET 76 3HB MET 76 -8.726 3.492 -0.131 607 HG2 MET 76 2HG MET 76 -9.988 3.575 2.039 608 HG3 MET 76 3HG MET 76 -8.480 4.075 2.807 609 HE1 MET 76 3HE MET 76 -11.080 4.978 -0.053 610 HE2 MET 76 1HE MET 76 -9.505 4.974 -0.850 611 HE3 MET 76 2HE MET 76 -10.382 6.489 -0.638 612 H ALA 77 H ALA 77 -5.977 1.772 -0.230 613 HA ALA 77 HA ALA 77 -6.828 0.909 -2.764 614 HB1 ALA 77 3HB ALA 77 -4.461 0.510 -3.223 615 HB2 ALA 77 1HB ALA 77 -4.099 0.631 -1.501 616 HB3 ALA 77 2HB ALA 77 -4.697 2.040 -2.377 617 H VAL 78 H VAL 78 -5.701 -0.922 0.053 618 HA VAL 78 HA VAL 78 -5.618 -3.483 -1.083 619 HB VAL 78 HB VAL 78 -6.310 -2.650 1.748 620 HG11 VAL 78 1HG1 VAL 78 -7.252 -4.855 1.338 621 HG12 VAL 78 2HG1 VAL 78 -5.839 -4.990 2.385 622 HG13 VAL 78 3HG1 VAL 78 -5.714 -5.417 0.678 623 HG21 VAL 78 3HG2 VAL 78 -4.047 -2.054 1.055 624 HG22 VAL 78 1HG2 VAL 78 -3.749 -3.713 0.532 625 HG23 VAL 78 2HG2 VAL 78 -4.002 -3.357 2.241 626 H ALA 79 H ALA 79 -8.328 -1.834 0.572 627 HA ALA 79 HA ALA 79 -10.245 -3.851 0.189 628 HB1 ALA 79 3HB ALA 79 -10.697 -0.868 0.348 629 HB2 ALA 79 1HB ALA 79 -10.556 -1.960 1.727 630 HB3 ALA 79 2HB ALA 79 -11.911 -2.120 0.609 631 H LYS 80 H LYS 80 -9.316 -1.124 -1.870 632 HA LYS 80 HA LYS 80 -11.314 -1.490 -3.851 633 HB2 LYS 80 2HB LYS 80 -10.064 0.633 -3.524 634 HB3 LYS 80 3HB LYS 80 -8.602 -0.161 -4.103 635 HG2 LYS 80 2HG LYS 80 -9.652 -0.519 -6.289 636 HG3 LYS 80 3HG LYS 80 -11.116 0.283 -5.716 637 HD2 LYS 80 2HD LYS 80 -9.814 2.347 -5.340 638 HD3 LYS 80 3HD LYS 80 -8.372 1.535 -5.949 639 HE2 LYS 80 2HE LYS 80 -9.448 1.239 -8.125 640 HE3 LYS 80 3HE LYS 80 -10.908 2.022 -7.517 641 HZ1 LYS 80 3HZ LYS 80 -9.644 4.044 -7.181 642 HZ2 LYS 80 1HZ LYS 80 -9.526 3.550 -8.790 643 HZ3 LYS 80 2HZ LYS 80 -8.237 3.297 -7.730 644 H VAL 81 H VAL 81 -8.013 -2.759 -3.530 645 HA VAL 81 HA VAL 81 -8.045 -3.951 -6.172 646 HB VAL 81 HB VAL 81 -6.013 -4.166 -3.938 647 HG11 VAL 81 1HG1 VAL 81 -5.851 -5.179 -6.785 648 HG12 VAL 81 2HG1 VAL 81 -5.902 -6.163 -5.323 649 HG13 VAL 81 3HG1 VAL 81 -4.508 -5.133 -5.642 650 HG21 VAL 81 3HG2 VAL 81 -6.215 -1.925 -4.923 651 HG22 VAL 81 1HG2 VAL 81 -5.964 -2.604 -6.532 652 HG23 VAL 81 2HG2 VAL 81 -4.668 -2.667 -5.334 653 H MET 82 H MET 82 -7.920 -5.266 -2.834 654 HA MET 82 HA MET 82 -8.085 -7.979 -3.641 655 HB2 MET 82 2HB MET 82 -8.792 -6.724 -0.978 656 HB3 MET 82 3HB MET 82 -8.594 -8.449 -1.260 657 HG2 MET 82 2HG MET 82 -6.456 -6.344 -1.542 658 HG3 MET 82 3HG MET 82 -6.615 -7.499 -0.222 659 HE1 MET 82 3HE MET 82 -7.479 -10.157 -1.873 660 HE2 MET 82 1HE MET 82 -6.347 -10.122 -0.521 661 HE3 MET 82 2HE MET 82 -5.888 -10.900 -2.036 662 H GLN 83 H GLN 83 -10.543 -5.579 -2.860 663 HA GLN 83 HA GLN 83 -12.799 -5.532 -3.157 664 HB2 GLN 83 2HB GLN 83 -12.173 -7.755 -5.108 665 HB3 GLN 83 3HB GLN 83 -13.707 -6.898 -5.028 666 HG2 GLN 83 2HG GLN 83 -12.691 -4.851 -5.702 667 HG3 GLN 83 3HG GLN 83 -11.073 -5.533 -5.541 668 HE21 GLN 83 1HE2 GLN 83 -10.322 -6.958 -7.117 669 HE22 GLN 83 2HE2 GLN 83 -11.077 -7.092 -8.663 670 H LYS 84 H LYS 84 -11.623 -7.499 -1.156 671 HA LYS 84 HA LYS 84 -14.040 -9.161 -0.835 672 HB2 LYS 84 2HB LYS 84 -11.217 -9.842 0.017 673 HB3 LYS 84 3HB LYS 84 -12.640 -10.811 0.378 674 HG2 LYS 84 2HG LYS 84 -12.991 -11.066 -2.094 675 HG3 LYS 84 3HG LYS 84 -11.433 -10.276 -2.336 676 HD2 LYS 84 2HD LYS 84 -11.911 -12.846 -0.815 677 HD3 LYS 84 3HD LYS 84 -11.212 -12.710 -2.430 678 HE2 LYS 84 2HE LYS 84 -9.315 -11.472 -1.510 679 HE3 LYS 84 3HE LYS 84 -10.023 -11.565 0.103 680 HZ1 LYS 84 3HZ LYS 84 -8.328 -13.252 -0.219 681 HZ2 LYS 84 1HZ LYS 84 -9.166 -13.884 -1.541 682 HZ3 LYS 84 2HZ LYS 84 -9.839 -13.969 0.009 683 H ASP 85 H ASP 85 -15.261 -8.466 0.776 684 HA ASP 85 HA ASP 85 -13.993 -7.839 3.357 685 HB2 ASP 85 2HB ASP 85 -14.716 -5.728 2.222 686 HB3 ASP 85 3HB ASP 85 -16.368 -6.338 2.212 687 H SER 86 H SER 86 -14.470 -9.806 4.250 688 HA SER 86 HA SER 86 -17.301 -10.676 4.241 689 HB2 SER 86 2HB SER 86 -16.445 -13.027 4.274 690 HB3 SER 86 3HB SER 86 -16.042 -12.153 2.798 691 HG SER 86 HG SER 86 -14.274 -12.373 5.009 Start of MODEL 11 1 H1 MET 1 1H MET 1 -0.102 -32.129 -24.393 2 H2 MET 1 2H MET 1 -0.356 -30.772 -23.423 3 H3 MET 1 3H MET 1 -0.150 -32.293 -22.712 4 HA MET 1 HA MET 1 2.108 -32.420 -23.501 5 HB2 MET 1 2HB MET 1 1.789 -31.063 -25.534 6 HB3 MET 1 3HB MET 1 1.597 -29.622 -24.547 7 HG2 MET 1 2HG MET 1 3.894 -29.812 -23.774 8 HG3 MET 1 3HG MET 1 4.094 -31.307 -24.686 9 HE1 MET 1 3HE MET 1 3.360 -27.216 -26.698 10 HE2 MET 1 1HE MET 1 3.497 -27.410 -24.948 11 HE3 MET 1 2HE MET 1 2.129 -28.114 -25.810 12 H GLY 2 H GLY 2 0.720 -29.302 -22.351 13 HA2 GLY 2 2HA GLY 2 1.838 -29.686 -19.727 14 HA3 GLY 2 3HA GLY 2 2.718 -28.484 -20.654 15 H HIS 3 H HIS 3 0.004 -29.078 -18.680 16 HA HIS 3 HA HIS 3 -1.486 -26.727 -19.482 17 HB2 HIS 3 2HB HIS 3 -2.934 -27.272 -17.522 18 HB3 HIS 3 3HB HIS 3 -2.759 -28.601 -18.661 19 HD1 HIS 3 HD1 HIS 3 -1.388 -27.485 -15.305 20 HD2 HIS 3 HD2 HIS 3 -1.933 -30.951 -17.526 21 HE1 HIS 3 HE1 HIS 3 -0.799 -29.366 -13.760 22 HE2 HIS 3 HE2 HIS 3 -0.930 -31.429 -15.189 23 H HIS 4 H HIS 4 -1.049 -24.713 -18.849 24 HA HIS 4 HA HIS 4 0.589 -24.304 -16.419 25 HB2 HIS 4 2HB HIS 4 0.469 -22.647 -18.952 26 HB3 HIS 4 3HB HIS 4 1.403 -22.224 -17.519 27 HD1 HIS 4 HD1 HIS 4 3.528 -23.630 -17.036 28 HD2 HIS 4 HD2 HIS 4 1.585 -24.631 -20.568 29 HE1 HIS 4 HE1 HIS 4 5.140 -25.082 -18.300 30 HE2 HIS 4 HE2 HIS 4 4.021 -25.497 -20.511 31 H HIS 5 H HIS 5 -0.442 -23.347 -14.777 32 HA HIS 5 HA HIS 5 -2.348 -21.175 -15.305 33 HB2 HIS 5 2HB HIS 5 -2.979 -23.540 -13.512 34 HB3 HIS 5 3HB HIS 5 -3.970 -22.094 -13.677 35 HD1 HIS 5 HD1 HIS 5 -3.668 -25.433 -14.927 36 HD2 HIS 5 HD2 HIS 5 -4.906 -21.795 -16.510 37 HE1 HIS 5 HE1 HIS 5 -5.011 -26.009 -16.970 38 HE2 HIS 5 HE2 HIS 5 -5.597 -23.791 -18.002 39 H HIS 6 H HIS 6 -2.866 -19.912 -13.338 40 HA HIS 6 HA HIS 6 -0.504 -19.455 -11.748 41 HB2 HIS 6 2HB HIS 6 -3.232 -18.139 -11.721 42 HB3 HIS 6 3HB HIS 6 -1.879 -17.623 -10.718 43 HD1 HIS 6 HD1 HIS 6 -3.393 -17.091 -13.970 44 HD2 HIS 6 HD2 HIS 6 0.407 -16.703 -12.330 45 HE1 HIS 6 HE1 HIS 6 -2.120 -15.630 -15.561 46 HE2 HIS 6 HE2 HIS 6 0.207 -15.516 -14.622 47 H HIS 7 H HIS 7 -0.047 -20.708 -10.066 48 HA HIS 7 HA HIS 7 -2.090 -22.180 -8.641 49 HB2 HIS 7 2HB HIS 7 0.080 -23.210 -9.178 50 HB3 HIS 7 3HB HIS 7 0.902 -22.008 -8.189 51 HD1 HIS 7 HD1 HIS 7 -1.221 -25.084 -7.940 52 HD2 HIS 7 HD2 HIS 7 0.824 -22.477 -5.429 53 HE1 HIS 7 HE1 HIS 7 -1.189 -26.201 -5.690 54 HE2 HIS 7 HE2 HIS 7 0.022 -24.598 -4.177 55 H HIS 8 H HIS 8 -3.091 -21.552 -6.818 56 HA HIS 8 HA HIS 8 -2.426 -19.057 -5.542 57 HB2 HIS 8 2HB HIS 8 -4.458 -21.192 -4.840 58 HB3 HIS 8 3HB HIS 8 -4.297 -19.666 -3.976 59 HD1 HIS 8 HD1 HIS 8 -5.481 -17.675 -4.944 60 HD2 HIS 8 HD2 HIS 8 -5.322 -20.873 -7.593 61 HE1 HIS 8 HE1 HIS 8 -6.945 -17.022 -6.876 62 HE2 HIS 8 HE2 HIS 8 -6.676 -18.886 -8.543 63 H SER 9 H SER 9 -0.489 -19.094 -4.511 64 HA SER 9 HA SER 9 0.194 -21.385 -2.801 65 HB2 SER 9 2HB SER 9 1.843 -20.697 -4.512 66 HB3 SER 9 3HB SER 9 1.962 -19.112 -3.748 67 HG SER 9 HG SER 9 2.769 -20.142 -1.874 68 H HIS 10 H HIS 10 -0.893 -18.157 -2.503 69 HA HIS 10 HA HIS 10 -1.208 -16.740 -0.759 70 HB2 HIS 10 2HB HIS 10 -0.833 -19.321 0.747 71 HB3 HIS 10 3HB HIS 10 -1.067 -17.801 1.602 72 HD1 HIS 10 HD1 HIS 10 -3.411 -17.335 2.172 73 HD2 HIS 10 HD2 HIS 10 -3.112 -19.722 -1.223 74 HE1 HIS 10 HE1 HIS 10 -5.770 -17.855 1.506 75 HE2 HIS 10 HE2 HIS 10 -5.573 -19.278 -0.554 76 HA PRO 11 HA PRO 11 3.172 -15.607 -0.009 77 HB2 PRO 11 2HB PRO 11 1.981 -12.906 0.128 78 HB3 PRO 11 3HB PRO 11 3.293 -13.500 -0.894 79 HG2 PRO 11 2HG PRO 11 0.869 -12.914 -1.902 80 HG3 PRO 11 3HG PRO 11 1.848 -14.248 -2.540 81 HD2 PRO 11 2HD PRO 11 -0.485 -14.345 -0.651 82 HD3 PRO 11 3HD PRO 11 -0.113 -15.402 -2.031 83 H ASN 12 H ASN 12 3.927 -15.744 2.029 84 HA ASN 12 HA ASN 12 2.349 -15.605 4.329 85 HB2 ASN 12 2HB ASN 12 5.354 -15.348 4.070 86 HB3 ASN 12 3HB ASN 12 4.494 -15.629 5.582 87 HD21 ASN 12 1HD2 ASN 12 5.429 -17.596 5.961 88 HD22 ASN 12 2HD2 ASN 12 5.102 -19.001 5.010 89 H GLU 13 H GLU 13 2.773 -14.168 6.234 90 HA GLU 13 HA GLU 13 1.778 -11.658 5.766 91 HB2 GLU 13 2HB GLU 13 1.711 -12.734 7.940 92 HB3 GLU 13 3HB GLU 13 3.456 -12.590 8.102 93 HG2 GLU 13 2HG GLU 13 3.275 -10.166 8.191 94 HG3 GLU 13 3HG GLU 13 1.533 -10.271 7.938 95 H GLU 14 H GLU 14 5.210 -12.283 6.659 96 HA GLU 14 HA GLU 14 5.968 -9.580 6.165 97 HB2 GLU 14 2HB GLU 14 7.169 -11.132 7.723 98 HB3 GLU 14 3HB GLU 14 7.793 -11.984 6.317 99 HG2 GLU 14 2HG GLU 14 8.892 -9.911 5.569 100 HG3 GLU 14 3HG GLU 14 8.303 -9.095 7.016 101 H ALA 15 H ALA 15 5.971 -12.490 4.189 102 HA ALA 15 HA ALA 15 7.653 -11.683 2.109 103 HB1 ALA 15 3HB ALA 15 6.795 -13.966 2.332 104 HB2 ALA 15 1HB ALA 15 6.481 -13.318 0.722 105 HB3 ALA 15 2HB ALA 15 5.178 -13.406 1.908 106 H ARG 16 H ARG 16 4.091 -11.292 2.324 107 HA ARG 16 HA ARG 16 3.936 -9.673 -0.032 108 HB2 ARG 16 2HB ARG 16 1.611 -9.204 0.701 109 HB3 ARG 16 3HB ARG 16 1.995 -10.918 0.663 110 HG2 ARG 16 2HG ARG 16 2.352 -10.849 3.120 111 HG3 ARG 16 3HG ARG 16 1.823 -9.166 3.109 112 HD2 ARG 16 2HD ARG 16 -0.355 -9.824 2.250 113 HD3 ARG 16 3HD ARG 16 0.169 -11.507 2.150 114 HE ARG 16 HE ARG 16 0.400 -10.441 4.794 115 HH11 ARG 16 1HH1 ARG 16 -1.797 -11.798 2.534 116 HH12 ARG 16 2HH1 ARG 16 -2.867 -12.394 3.748 117 HH21 ARG 16 1HH2 ARG 16 -0.991 -11.223 6.369 118 HH22 ARG 16 2HH2 ARG 16 -2.422 -12.065 5.884 119 H LEU 17 H LEU 17 4.234 -8.953 3.414 120 HA LEU 17 HA LEU 17 3.909 -6.167 3.324 121 HB2 LEU 17 2HB LEU 17 3.972 -7.215 5.449 122 HB3 LEU 17 3HB LEU 17 5.514 -7.978 5.118 123 HG LEU 17 HG LEU 17 6.626 -5.769 5.233 124 HD11 LEU 17 1HD1 LEU 17 3.927 -4.725 6.082 125 HD12 LEU 17 2HD1 LEU 17 4.743 -4.365 4.560 126 HD13 LEU 17 3HD1 LEU 17 5.447 -3.827 6.083 127 HD21 LEU 17 3HD2 LEU 17 6.553 -7.156 7.222 128 HD22 LEU 17 1HD2 LEU 17 4.982 -6.481 7.662 129 HD23 LEU 17 2HD2 LEU 17 6.417 -5.453 7.659 130 H ASP 18 H ASP 18 6.743 -8.180 2.675 131 HA ASP 18 HA ASP 18 8.674 -6.149 2.667 132 HB2 ASP 18 2HB ASP 18 9.026 -8.670 2.749 133 HB3 ASP 18 3HB ASP 18 8.806 -8.660 1.000 134 H ILE 19 H ILE 19 6.486 -7.275 0.163 135 HA ILE 19 HA ILE 19 7.596 -5.900 -2.049 136 HB ILE 19 HB ILE 19 4.657 -6.455 -1.567 137 HG12 ILE 19 2HG1 ILE 19 6.673 -8.271 -2.922 138 HG13 ILE 19 3HG1 ILE 19 6.121 -8.485 -1.264 139 HG21 ILE 19 1HG2 ILE 19 5.080 -4.962 -3.442 140 HG22 ILE 19 2HG2 ILE 19 4.528 -6.531 -4.026 141 HG23 ILE 19 3HG2 ILE 19 6.238 -6.106 -4.121 142 HD11 ILE 19 3HD1 ILE 19 3.833 -8.788 -2.071 143 HD12 ILE 19 1HD1 ILE 19 4.944 -9.968 -2.770 144 HD13 ILE 19 2HD1 ILE 19 4.401 -8.593 -3.731 145 H LEU 20 H LEU 20 5.045 -4.979 0.257 146 HA LEU 20 HA LEU 20 4.576 -2.358 -0.640 147 HB2 LEU 20 2HB LEU 20 4.396 -3.506 2.155 148 HB3 LEU 20 3HB LEU 20 3.722 -1.962 1.668 149 HG LEU 20 HG LEU 20 2.886 -4.572 0.398 150 HD11 LEU 20 1HD1 LEU 20 2.403 -4.692 2.783 151 HD12 LEU 20 2HD1 LEU 20 0.922 -4.529 1.842 152 HD13 LEU 20 3HD1 LEU 20 1.574 -3.135 2.706 153 HD21 LEU 20 3HD2 LEU 20 2.420 -2.556 -0.905 154 HD22 LEU 20 1HD2 LEU 20 1.591 -1.842 0.482 155 HD23 LEU 20 2HD2 LEU 20 0.929 -3.278 -0.302 156 H LYS 21 H LYS 21 6.904 -3.619 1.712 157 HA LYS 21 HA LYS 21 8.074 -1.227 2.551 158 HB2 LYS 21 2HB LYS 21 9.260 -3.986 2.204 159 HB3 LYS 21 3HB LYS 21 10.101 -2.665 3.006 160 HG2 LYS 21 2HG LYS 21 8.586 -2.635 4.802 161 HG3 LYS 21 3HG LYS 21 7.384 -3.575 3.915 162 HD2 LYS 21 2HD LYS 21 8.493 -4.936 5.626 163 HD3 LYS 21 3HD LYS 21 8.824 -5.542 4.004 164 HE2 LYS 21 2HE LYS 21 10.983 -4.187 4.119 165 HE3 LYS 21 3HE LYS 21 10.657 -4.026 5.845 166 HZ1 LYS 21 3HZ LYS 21 10.647 -6.440 6.029 167 HZ2 LYS 21 1HZ LYS 21 12.115 -5.900 5.384 168 HZ3 LYS 21 2HZ LYS 21 10.954 -6.590 4.371 169 H ILE 22 H ILE 22 9.100 -3.358 -0.147 170 HA ILE 22 HA ILE 22 11.255 -1.874 -1.079 171 HB ILE 22 HB ILE 22 9.283 -3.544 -2.658 172 HG12 ILE 22 2HG1 ILE 22 12.061 -4.177 -1.608 173 HG13 ILE 22 3HG1 ILE 22 10.555 -4.733 -0.886 174 HG21 ILE 22 1HG2 ILE 22 11.982 -2.490 -3.520 175 HG22 ILE 22 2HG2 ILE 22 10.416 -2.000 -4.168 176 HG23 ILE 22 3HG2 ILE 22 10.998 -3.645 -4.418 177 HD11 ILE 22 3HD1 ILE 22 11.589 -5.450 -3.622 178 HD12 ILE 22 1HD1 ILE 22 10.058 -5.990 -2.930 179 HD13 ILE 22 2HD1 ILE 22 11.581 -6.484 -2.194 180 H HIS 23 H HIS 23 7.840 -1.597 -2.135 181 HA HIS 23 HA HIS 23 8.311 0.542 -3.948 182 HB2 HIS 23 2HB HIS 23 5.803 -0.511 -2.641 183 HB3 HIS 23 3HB HIS 23 5.768 0.885 -3.715 184 HD1 HIS 23 HD1 HIS 23 6.288 0.467 -6.227 185 HD2 HIS 23 HD2 HIS 23 6.130 -2.977 -3.905 186 HE1 HIS 23 HE1 HIS 23 6.124 -1.434 -7.857 187 HE2 HIS 23 HE2 HIS 23 6.246 -3.503 -6.435 188 H SER 24 H SER 24 7.186 0.520 -0.570 189 HA SER 24 HA SER 24 6.566 3.236 -0.333 190 HB2 SER 24 2HB SER 24 6.761 2.922 2.085 191 HB3 SER 24 3HB SER 24 5.946 1.541 1.352 192 HG SER 24 HG SER 24 7.719 0.316 1.657 193 H ARG 25 H ARG 25 9.687 1.600 0.013 194 HA ARG 25 HA ARG 25 11.215 3.759 0.953 195 HB2 ARG 25 2HB ARG 25 12.058 1.554 -0.947 196 HB3 ARG 25 3HB ARG 25 13.156 2.601 -0.059 197 HG2 ARG 25 2HG ARG 25 12.393 1.681 2.047 198 HG3 ARG 25 3HG ARG 25 11.195 0.695 1.209 199 HD2 ARG 25 2HD ARG 25 13.052 -0.439 -0.001 200 HD3 ARG 25 3HD ARG 25 14.196 0.477 0.980 201 HE ARG 25 HE ARG 25 12.284 -1.040 2.508 202 HH11 ARG 25 1HH1 ARG 25 15.376 -1.062 0.995 203 HH12 ARG 25 2HH1 ARG 25 15.938 -2.412 1.917 204 HH21 ARG 25 1HH2 ARG 25 13.015 -2.762 3.690 205 HH22 ARG 25 2HH2 ARG 25 14.614 -3.368 3.423 206 H LYS 26 H LYS 26 10.222 2.904 -2.322 207 HA LYS 26 HA LYS 26 11.697 5.070 -3.557 208 HB2 LYS 26 2HB LYS 26 9.618 3.202 -4.730 209 HB3 LYS 26 3HB LYS 26 10.678 4.270 -5.644 210 HG2 LYS 26 2HG LYS 26 12.631 3.023 -4.858 211 HG3 LYS 26 3HG LYS 26 11.580 1.960 -3.916 212 HD2 LYS 26 2HD LYS 26 10.483 1.231 -6.000 213 HD3 LYS 26 3HD LYS 26 11.570 2.269 -6.925 214 HE2 LYS 26 2HE LYS 26 13.491 0.984 -6.067 215 HE3 LYS 26 3HE LYS 26 12.380 -0.070 -5.191 216 HZ1 LYS 26 3HZ LYS 26 11.383 -0.662 -7.344 217 HZ2 LYS 26 1HZ LYS 26 13.011 -1.102 -7.244 218 HZ3 LYS 26 2HZ LYS 26 12.556 0.260 -8.136 219 H MET 27 H MET 27 8.595 4.613 -2.167 220 HA MET 27 HA MET 27 7.530 7.094 -3.313 221 HB2 MET 27 2HB MET 27 6.262 5.079 -1.429 222 HB3 MET 27 3HB MET 27 5.443 6.466 -2.141 223 HG2 MET 27 2HG MET 27 5.700 5.544 -4.353 224 HG3 MET 27 3HG MET 27 6.666 4.210 -3.723 225 HE1 MET 27 3HE MET 27 3.109 5.870 -3.815 226 HE2 MET 27 1HE MET 27 3.417 5.759 -2.082 227 HE3 MET 27 2HE MET 27 2.168 4.758 -2.823 228 H ASN 28 H ASN 28 6.121 8.268 -1.348 229 HA ASN 28 HA ASN 28 8.168 8.949 0.673 230 HB2 ASN 28 2HB ASN 28 5.762 10.590 -0.138 231 HB3 ASN 28 3HB ASN 28 7.108 11.107 0.870 232 HD21 ASN 28 1HD2 ASN 28 6.061 12.217 -1.604 233 HD22 ASN 28 2HD2 ASN 28 7.394 12.256 -2.701 234 H LEU 29 H LEU 29 7.818 8.067 2.642 235 HA LEU 29 HA LEU 29 5.100 7.325 3.438 236 HB2 LEU 29 2HB LEU 29 7.802 6.716 4.631 237 HB3 LEU 29 3HB LEU 29 6.292 6.254 5.396 238 HG LEU 29 HG LEU 29 7.267 5.306 2.694 239 HD11 LEU 29 1HD1 LEU 29 8.509 4.328 4.556 240 HD12 LEU 29 2HD1 LEU 29 7.474 3.127 3.787 241 HD13 LEU 29 3HD1 LEU 29 6.997 3.845 5.325 242 HD21 LEU 29 3HD2 LEU 29 4.843 5.505 2.723 243 HD22 LEU 29 1HD2 LEU 29 4.765 4.598 4.233 244 HD23 LEU 29 2HD2 LEU 29 5.318 3.809 2.757 245 H THR 30 H THR 30 4.089 7.989 5.326 246 HA THR 30 HA THR 30 4.852 10.589 6.376 247 HB THR 30 HB THR 30 2.464 10.012 5.920 248 HG1 THR 30 HG1 THR 30 1.994 11.417 7.432 249 HG21 THR 30 3HG2 THR 30 1.251 8.564 7.475 250 HG22 THR 30 1HG2 THR 30 2.756 8.190 8.318 251 HG23 THR 30 2HG2 THR 30 2.524 7.665 6.650 252 H ARG 31 H ARG 31 4.280 10.663 8.973 253 HA ARG 31 HA ARG 31 6.400 9.094 10.195 254 HB2 ARG 31 2HB ARG 31 4.631 11.306 11.256 255 HB3 ARG 31 3HB ARG 31 5.859 10.497 12.223 256 HG2 ARG 31 2HG ARG 31 6.391 12.031 9.676 257 HG3 ARG 31 3HG ARG 31 6.623 12.653 11.313 258 HD2 ARG 31 2HD ARG 31 8.274 10.902 11.754 259 HD3 ARG 31 3HD ARG 31 8.032 10.255 10.131 260 HE ARG 31 HE ARG 31 9.191 12.078 9.245 261 HH11 ARG 31 1HH1 ARG 31 8.926 12.307 12.668 262 HH12 ARG 31 2HH1 ARG 31 10.180 13.492 12.793 263 HH21 ARG 31 1HH2 ARG 31 10.806 13.594 9.424 264 HH22 ARG 31 2HH2 ARG 31 11.220 14.212 10.987 265 H GLY 32 H GLY 32 6.106 7.263 11.283 266 HA2 GLY 32 2HA GLY 32 5.131 5.582 12.509 267 HA3 GLY 32 3HA GLY 32 3.940 6.754 13.044 268 H ILE 33 H ILE 33 4.781 4.932 10.089 269 HA ILE 33 HA ILE 33 1.890 4.614 9.578 270 HB ILE 33 HB ILE 33 3.074 5.834 7.821 271 HG12 ILE 33 2HG1 ILE 33 2.227 3.060 6.937 272 HG13 ILE 33 3HG1 ILE 33 1.152 4.429 7.215 273 HG21 ILE 33 1HG2 ILE 33 4.780 4.783 6.429 274 HG22 ILE 33 2HG2 ILE 33 4.740 3.342 7.445 275 HG23 ILE 33 3HG2 ILE 33 5.306 4.875 8.110 276 HD11 ILE 33 3HD1 ILE 33 1.570 4.069 4.847 277 HD12 ILE 33 1HD1 ILE 33 3.300 4.288 5.108 278 HD13 ILE 33 2HD1 ILE 33 2.189 5.632 5.377 279 H ASN 34 H ASN 34 1.056 2.658 9.953 280 HA ASN 34 HA ASN 34 2.829 0.362 10.286 281 HB2 ASN 34 2HB ASN 34 1.154 0.813 12.024 282 HB3 ASN 34 3HB ASN 34 -0.137 0.648 10.839 283 HD21 ASN 34 1HD2 ASN 34 -1.005 -0.995 12.196 284 HD22 ASN 34 2HD2 ASN 34 -0.352 -2.595 12.159 285 H LEU 35 H LEU 35 3.405 -0.305 8.255 286 HA LEU 35 HA LEU 35 1.502 -0.680 6.129 287 HB2 LEU 35 2HB LEU 35 4.384 -1.561 6.376 288 HB3 LEU 35 3HB LEU 35 3.423 -1.679 4.912 289 HG LEU 35 HG LEU 35 4.196 0.902 6.297 290 HD11 LEU 35 1HD1 LEU 35 5.637 1.261 4.353 291 HD12 LEU 35 2HD1 LEU 35 5.200 -0.330 3.727 292 HD13 LEU 35 3HD1 LEU 35 6.103 -0.192 5.237 293 HD21 LEU 35 3HD2 LEU 35 3.268 1.993 4.303 294 HD22 LEU 35 1HD2 LEU 35 2.034 1.086 5.178 295 HD23 LEU 35 2HD2 LEU 35 2.729 0.427 3.697 296 H ARG 36 H ARG 36 2.921 -2.727 8.603 297 HA ARG 36 HA ARG 36 2.428 -5.253 7.535 298 HB2 ARG 36 2HB ARG 36 3.669 -4.933 9.629 299 HB3 ARG 36 3HB ARG 36 2.196 -4.402 10.433 300 HG2 ARG 36 2HG ARG 36 1.202 -6.623 10.045 301 HG3 ARG 36 3HG ARG 36 2.707 -7.151 9.293 302 HD2 ARG 36 2HD ARG 36 3.891 -6.764 11.407 303 HD3 ARG 36 3HD ARG 36 2.385 -6.224 12.150 304 HE ARG 36 HE ARG 36 2.574 -8.926 11.034 305 HH11 ARG 36 1HH1 ARG 36 2.196 -6.880 13.776 306 HH12 ARG 36 2HH1 ARG 36 1.656 -8.173 14.788 307 HH21 ARG 36 1HH2 ARG 36 1.865 -10.552 12.316 308 HH22 ARG 36 2HH2 ARG 36 1.472 -10.232 13.974 309 H LYS 37 H LYS 37 0.241 -3.262 9.538 310 HA LYS 37 HA LYS 37 -1.968 -4.936 9.608 311 HB2 LYS 37 2HB LYS 37 -1.727 -2.857 10.904 312 HB3 LYS 37 3HB LYS 37 -1.938 -1.911 9.443 313 HG2 LYS 37 2HG LYS 37 -4.096 -3.810 10.228 314 HG3 LYS 37 3HG LYS 37 -3.911 -2.308 11.135 315 HD2 LYS 37 2HD LYS 37 -3.955 -1.121 8.868 316 HD3 LYS 37 3HD LYS 37 -4.508 -2.659 8.197 317 HE2 LYS 37 2HE LYS 37 -6.431 -2.638 9.687 318 HE3 LYS 37 3HE LYS 37 -5.863 -1.144 10.428 319 HZ1 LYS 37 3HZ LYS 37 -7.601 -0.725 8.811 320 HZ2 LYS 37 1HZ LYS 37 -6.689 -1.459 7.595 321 HZ3 LYS 37 2HZ LYS 37 -6.150 -0.023 8.305 322 H ILE 38 H ILE 38 -0.913 -2.785 7.039 323 HA ILE 38 HA ILE 38 -3.175 -2.963 5.365 324 HB ILE 38 HB ILE 38 -0.274 -2.589 4.575 325 HG12 ILE 38 2HG1 ILE 38 -0.939 -0.899 6.188 326 HG13 ILE 38 3HG1 ILE 38 -0.834 -0.164 4.592 327 HG21 ILE 38 1HG2 ILE 38 -2.808 -1.935 3.067 328 HG22 ILE 38 2HG2 ILE 38 -1.644 -3.199 2.663 329 HG23 ILE 38 3HG2 ILE 38 -1.174 -1.502 2.561 330 HD11 ILE 38 3HD1 ILE 38 -3.361 -0.991 6.003 331 HD12 ILE 38 1HD1 ILE 38 -3.271 -0.301 4.382 332 HD13 ILE 38 2HD1 ILE 38 -2.767 0.654 5.775 333 H ALA 39 H ALA 39 -0.141 -4.829 5.397 334 HA ALA 39 HA ALA 39 -0.762 -6.635 3.346 335 HB1 ALA 39 3HB ALA 39 0.994 -8.058 4.303 336 HB2 ALA 39 1HB ALA 39 0.998 -7.073 5.766 337 HB3 ALA 39 2HB ALA 39 1.499 -6.369 4.227 338 H GLU 40 H GLU 40 -1.480 -6.740 6.811 339 HA GLU 40 HA GLU 40 -2.414 -9.361 7.031 340 HB2 GLU 40 2HB GLU 40 -3.352 -6.890 8.510 341 HB3 GLU 40 3HB GLU 40 -3.734 -8.540 8.980 342 HG2 GLU 40 2HG GLU 40 -1.257 -8.944 9.203 343 HG3 GLU 40 3HG GLU 40 -1.032 -7.210 8.972 344 H LEU 41 H LEU 41 -3.940 -6.597 5.571 345 HA LEU 41 HA LEU 41 -6.630 -7.671 5.695 346 HB2 LEU 41 2HB LEU 41 -5.529 -5.271 4.226 347 HB3 LEU 41 3HB LEU 41 -7.232 -5.661 4.396 348 HG LEU 41 HG LEU 41 -5.357 -4.972 6.669 349 HD11 LEU 41 1HD1 LEU 41 -5.822 -3.048 5.257 350 HD12 LEU 41 2HD1 LEU 41 -6.641 -2.894 6.811 351 HD13 LEU 41 3HD1 LEU 41 -7.555 -3.357 5.376 352 HD21 LEU 41 3HD2 LEU 41 -8.342 -5.454 6.668 353 HD22 LEU 41 1HD2 LEU 41 -7.382 -4.906 8.043 354 HD23 LEU 41 2HD2 LEU 41 -7.118 -6.513 7.370 355 H MET 42 H MET 42 -4.246 -8.869 3.985 356 HA MET 42 HA MET 42 -5.651 -8.960 1.397 357 HB2 MET 42 2HB MET 42 -2.823 -9.715 2.146 358 HB3 MET 42 3HB MET 42 -3.518 -9.971 0.550 359 HG2 MET 42 2HG MET 42 -3.889 -7.555 0.337 360 HG3 MET 42 3HG MET 42 -3.147 -7.315 1.921 361 HE1 MET 42 3HE MET 42 -0.528 -5.949 -0.721 362 HE2 MET 42 1HE MET 42 -1.585 -5.514 0.624 363 HE3 MET 42 2HE MET 42 -2.279 -5.959 -0.938 364 HA PRO 43 HA PRO 43 -6.718 -13.200 2.776 365 HB2 PRO 43 2HB PRO 43 -9.125 -13.316 1.567 366 HB3 PRO 43 3HB PRO 43 -8.900 -12.491 3.115 367 HG2 PRO 43 2HG PRO 43 -9.068 -11.325 0.355 368 HG3 PRO 43 3HG PRO 43 -9.824 -10.758 1.855 369 HD2 PRO 43 2HD PRO 43 -7.524 -9.685 0.822 370 HD3 PRO 43 3HD PRO 43 -7.921 -9.677 2.551 371 H GLY 44 H GLY 44 -4.995 -13.976 1.412 372 HA2 GLY 44 2HA GLY 44 -4.225 -15.306 -0.301 373 HA3 GLY 44 3HA GLY 44 -5.883 -15.447 -0.853 374 H ALA 45 H ALA 45 -3.618 -12.696 -0.638 375 HA ALA 45 HA ALA 45 -4.328 -11.878 -3.344 376 HB1 ALA 45 3HB ALA 45 -3.033 -9.860 -2.869 377 HB2 ALA 45 1HB ALA 45 -2.482 -10.558 -1.346 378 HB3 ALA 45 2HB ALA 45 -4.189 -10.183 -1.577 379 H SER 46 H SER 46 -2.294 -10.888 -4.574 380 HA SER 46 HA SER 46 -0.018 -12.758 -4.488 381 HB2 SER 46 2HB SER 46 -1.476 -13.557 -6.291 382 HB3 SER 46 3HB SER 46 -1.518 -11.943 -6.999 383 HG SER 46 HG SER 46 0.144 -13.802 -7.622 384 H GLY 47 H GLY 47 1.892 -11.918 -5.742 385 HA2 GLY 47 2HA GLY 47 2.720 -9.438 -4.836 386 HA3 GLY 47 3HA GLY 47 3.435 -10.267 -6.208 387 H ALA 48 H ALA 48 1.264 -10.177 -7.987 388 HA ALA 48 HA ALA 48 1.462 -7.620 -9.137 389 HB1 ALA 48 3HB ALA 48 -0.655 -9.731 -9.562 390 HB2 ALA 48 1HB ALA 48 0.878 -9.603 -10.425 391 HB3 ALA 48 2HB ALA 48 -0.351 -8.353 -10.620 392 H GLU 49 H GLU 49 -1.054 -9.046 -7.090 393 HA GLU 49 HA GLU 49 -2.886 -6.893 -7.222 394 HB2 GLU 49 2HB GLU 49 -2.588 -8.778 -4.874 395 HB3 GLU 49 3HB GLU 49 -4.045 -7.969 -5.436 396 HG2 GLU 49 2HG GLU 49 -2.582 -10.212 -6.822 397 HG3 GLU 49 3HG GLU 49 -4.126 -10.319 -5.984 398 H VAL 50 H VAL 50 -0.242 -7.670 -5.004 399 HA VAL 50 HA VAL 50 -0.587 -5.548 -3.182 400 HB VAL 50 HB VAL 50 2.026 -6.851 -3.994 401 HG11 VAL 50 1HG1 VAL 50 1.244 -5.388 -1.465 402 HG12 VAL 50 2HG1 VAL 50 2.351 -4.805 -2.709 403 HG13 VAL 50 3HG1 VAL 50 2.779 -6.215 -1.739 404 HG21 VAL 50 3HG2 VAL 50 1.657 -8.388 -2.118 405 HG22 VAL 50 1HG2 VAL 50 0.387 -8.541 -3.333 406 HG23 VAL 50 2HG2 VAL 50 0.073 -7.668 -1.833 407 H LYS 51 H LYS 51 1.153 -5.748 -6.265 408 HA LYS 51 HA LYS 51 2.284 -3.159 -6.258 409 HB2 LYS 51 2HB LYS 51 2.541 -5.214 -7.935 410 HB3 LYS 51 3HB LYS 51 1.287 -4.364 -8.824 411 HG2 LYS 51 2HG LYS 51 3.926 -3.144 -8.010 412 HG3 LYS 51 3HG LYS 51 3.610 -3.876 -9.580 413 HD2 LYS 51 2HD LYS 51 1.911 -1.618 -8.539 414 HD3 LYS 51 3HD LYS 51 3.440 -1.310 -9.354 415 HE2 LYS 51 2HE LYS 51 1.659 -1.129 -10.959 416 HE3 LYS 51 3HE LYS 51 2.599 -2.572 -11.319 417 HZ1 LYS 51 3HZ LYS 51 -0.021 -2.504 -9.921 418 HZ2 LYS 51 1HZ LYS 51 0.884 -3.900 -10.237 419 HZ3 LYS 51 2HZ LYS 51 0.245 -2.996 -11.514 420 H GLY 52 H GLY 52 -0.865 -4.384 -7.352 421 HA2 GLY 52 2HA GLY 52 -2.005 -2.010 -8.292 422 HA3 GLY 52 3HA GLY 52 -2.902 -3.338 -7.574 423 H VAL 53 H VAL 53 -1.974 -3.302 -4.971 424 HA VAL 53 HA VAL 53 -3.410 -1.285 -3.694 425 HB VAL 53 HB VAL 53 -1.046 -2.864 -2.637 426 HG11 VAL 53 1HG1 VAL 53 -1.440 -0.882 -1.262 427 HG12 VAL 53 2HG1 VAL 53 -1.909 -2.344 -0.398 428 HG13 VAL 53 3HG1 VAL 53 -3.146 -1.307 -1.110 429 HG21 VAL 53 3HG2 VAL 53 -4.023 -3.361 -2.428 430 HG22 VAL 53 1HG2 VAL 53 -2.766 -4.314 -1.639 431 HG23 VAL 53 2HG2 VAL 53 -2.874 -4.284 -3.398 432 H CYS 54 H CYS 54 0.104 -1.451 -4.296 433 HA CYS 54 HA CYS 54 0.783 1.056 -3.202 434 HB2 CYS 54 2HB CYS 54 2.130 -0.396 -5.501 435 HB3 CYS 54 3HB CYS 54 2.851 0.871 -4.512 436 HG CYS 54 HG CYS 54 1.801 -2.070 -3.124 437 H THR 55 H THR 55 -0.407 0.131 -6.381 438 HA THR 55 HA THR 55 0.065 2.586 -7.723 439 HB THR 55 HB THR 55 -2.040 0.488 -8.330 440 HG1 THR 55 HG1 THR 55 0.334 -0.094 -8.289 441 HG21 THR 55 3HG2 THR 55 -0.833 2.637 -10.089 442 HG22 THR 55 1HG2 THR 55 -2.497 2.582 -9.504 443 HG23 THR 55 2HG2 THR 55 -1.920 1.362 -10.639 444 H GLU 56 H GLU 56 -2.933 1.253 -6.297 445 HA GLU 56 HA GLU 56 -4.541 3.525 -6.714 446 HB2 GLU 56 2HB GLU 56 -4.751 1.288 -4.691 447 HB3 GLU 56 3HB GLU 56 -5.991 2.514 -4.911 448 HG2 GLU 56 2HG GLU 56 -5.045 0.609 -7.048 449 HG3 GLU 56 3HG GLU 56 -6.495 0.398 -6.067 450 H ALA 57 H ALA 57 -2.688 2.499 -3.840 451 HA ALA 57 HA ALA 57 -3.384 4.516 -2.073 452 HB1 ALA 57 3HB ALA 57 -2.020 2.579 -1.454 453 HB2 ALA 57 1HB ALA 57 -1.254 4.086 -0.949 454 HB3 ALA 57 2HB ALA 57 -0.666 3.232 -2.377 455 H GLY 58 H GLY 58 -0.769 4.562 -4.503 456 HA2 GLY 58 2HA GLY 58 0.156 7.172 -4.024 457 HA3 GLY 58 3HA GLY 58 0.284 6.314 -5.552 458 H MET 59 H MET 59 -2.435 6.023 -6.180 459 HA MET 59 HA MET 59 -3.041 8.478 -7.399 460 HB2 MET 59 2HB MET 59 -4.834 6.116 -6.798 461 HB3 MET 59 3HB MET 59 -5.299 7.468 -7.820 462 HG2 MET 59 2HG MET 59 -2.806 5.989 -8.483 463 HG3 MET 59 3HG MET 59 -4.356 5.230 -8.829 464 HE1 MET 59 3HE MET 59 -3.272 9.108 -9.091 465 HE2 MET 59 1HE MET 59 -2.804 9.122 -10.789 466 HE3 MET 59 2HE MET 59 -1.900 8.141 -9.631 467 H TYR 60 H TYR 60 -4.387 6.999 -4.452 468 HA TYR 60 HA TYR 60 -6.270 9.014 -3.868 469 HB2 TYR 60 2HB TYR 60 -4.809 7.223 -1.908 470 HB3 TYR 60 3HB TYR 60 -6.316 8.082 -1.604 471 HD1 TYR 60 HD2 TYR 60 -7.480 7.476 -4.443 472 HD2 TYR 60 HD1 TYR 60 -5.713 5.027 -1.435 473 HE1 TYR 60 HE2 TYR 60 -8.733 5.540 -5.288 474 HE2 TYR 60 HE1 TYR 60 -6.964 3.088 -2.281 475 HH TYR 60 HH TYR 60 -8.367 2.949 -5.234 476 H ALA 61 H ALA 61 -2.912 8.598 -2.774 477 HA ALA 61 HA ALA 61 -2.709 10.894 -1.194 478 HB1 ALA 61 3HB ALA 61 -1.023 9.102 -1.252 479 HB2 ALA 61 1HB ALA 61 -0.302 10.694 -1.486 480 HB3 ALA 61 2HB ALA 61 -0.538 9.620 -2.865 481 H LEU 62 H LEU 62 -1.861 10.506 -4.653 482 HA LEU 62 HA LEU 62 -0.984 13.117 -5.109 483 HB2 LEU 62 2HB LEU 62 -2.247 11.150 -7.022 484 HB3 LEU 62 3HB LEU 62 -1.476 12.644 -7.522 485 HG LEU 62 HG LEU 62 -0.111 10.327 -6.133 486 HD11 LEU 62 1HD1 LEU 62 0.049 11.309 -8.983 487 HD12 LEU 62 2HD1 LEU 62 -0.667 9.796 -8.429 488 HD13 LEU 62 3HD1 LEU 62 1.071 10.055 -8.277 489 HD21 LEU 62 3HD2 LEU 62 1.966 11.562 -6.549 490 HD22 LEU 62 1HD2 LEU 62 0.887 12.452 -5.479 491 HD23 LEU 62 2HD2 LEU 62 1.035 12.923 -7.173 492 H ARG 63 H ARG 63 -4.262 11.771 -5.663 493 HA ARG 63 HA ARG 63 -5.374 14.137 -6.721 494 HB2 ARG 63 2HB ARG 63 -7.544 13.121 -6.336 495 HB3 ARG 63 3HB ARG 63 -6.422 11.906 -6.932 496 HG2 ARG 63 2HG ARG 63 -6.130 11.047 -4.661 497 HG3 ARG 63 3HG ARG 63 -7.237 12.275 -4.047 498 HD2 ARG 63 2HD ARG 63 -8.405 10.174 -4.270 499 HD3 ARG 63 3HD ARG 63 -9.028 11.318 -5.459 500 HE ARG 63 HE ARG 63 -7.101 9.927 -6.803 501 HH11 ARG 63 1HH1 ARG 63 -9.903 9.035 -5.008 502 HH12 ARG 63 2HH1 ARG 63 -10.209 7.627 -5.963 503 HH21 ARG 63 1HH2 ARG 63 -7.499 8.132 -8.030 504 HH22 ARG 63 2HH2 ARG 63 -8.855 7.122 -7.666 505 H GLU 64 H GLU 64 -4.947 13.068 -3.397 506 HA GLU 64 HA GLU 64 -6.435 15.373 -2.379 507 HB2 GLU 64 2HB GLU 64 -5.214 13.004 -0.951 508 HB3 GLU 64 3HB GLU 64 -6.081 14.311 -0.151 509 HG2 GLU 64 2HG GLU 64 -8.068 13.757 -1.567 510 HG3 GLU 64 3HG GLU 64 -7.189 12.346 -2.148 511 H ARG 65 H ARG 65 -3.646 15.364 -3.676 512 HA ARG 65 HA ARG 65 -1.804 16.684 -3.581 513 HB2 ARG 65 2HB ARG 65 -3.388 18.133 -1.445 514 HB3 ARG 65 3HB ARG 65 -1.908 18.739 -2.170 515 HG2 ARG 65 2HG ARG 65 -3.634 19.869 -3.275 516 HG3 ARG 65 3HG ARG 65 -3.127 18.616 -4.408 517 HD2 ARG 65 2HD ARG 65 -5.024 17.237 -3.773 518 HD3 ARG 65 3HD ARG 65 -5.493 18.404 -2.538 519 HE ARG 65 HE ARG 65 -5.396 19.608 -5.111 520 HH11 ARG 65 1HH1 ARG 65 -7.322 17.563 -3.116 521 HH12 ARG 65 2HH1 ARG 65 -8.798 18.005 -3.903 522 HH21 ARG 65 1HH2 ARG 65 -7.292 20.159 -6.114 523 HH22 ARG 65 2HH2 ARG 65 -8.780 19.444 -5.595 524 H ARG 66 H ARG 66 -2.077 14.339 -1.704 525 HA ARG 66 HA ARG 66 -0.417 15.053 0.566 526 HB2 ARG 66 2HB ARG 66 -1.424 12.354 -0.366 527 HB3 ARG 66 3HB ARG 66 -0.590 12.660 1.152 528 HG2 ARG 66 2HG ARG 66 -2.415 14.051 1.921 529 HG3 ARG 66 3HG ARG 66 -3.234 13.884 0.365 530 HD2 ARG 66 2HD ARG 66 -3.485 11.484 0.739 531 HD3 ARG 66 3HD ARG 66 -2.615 11.615 2.269 532 HE ARG 66 HE ARG 66 -4.747 13.368 2.420 533 HH11 ARG 66 1HH1 ARG 66 -4.348 9.959 2.016 534 HH12 ARG 66 2HH1 ARG 66 -5.823 9.597 2.834 535 HH21 ARG 66 1HH2 ARG 66 -6.621 12.877 3.463 536 HH22 ARG 66 2HH2 ARG 66 -7.090 11.225 3.660 537 H VAL 67 H VAL 67 1.706 15.325 0.288 538 HA VAL 67 HA VAL 67 3.220 14.096 -1.820 539 HB VAL 67 HB VAL 67 4.210 15.512 0.673 540 HG11 VAL 67 1HG1 VAL 67 6.279 15.880 -0.619 541 HG12 VAL 67 2HG1 VAL 67 5.632 14.880 -1.919 542 HG13 VAL 67 3HG1 VAL 67 5.961 14.168 -0.340 543 HG21 VAL 67 3HG2 VAL 67 4.416 17.502 -0.756 544 HG22 VAL 67 1HG2 VAL 67 2.743 16.953 -0.647 545 HG23 VAL 67 2HG2 VAL 67 3.689 16.615 -2.097 546 H HIS 68 H HIS 68 2.863 13.577 1.648 547 HA HIS 68 HA HIS 68 4.392 11.067 1.477 548 HB2 HIS 68 2HB HIS 68 3.561 12.710 3.886 549 HB3 HIS 68 3HB HIS 68 4.448 11.188 3.965 550 HD1 HIS 68 HD1 HIS 68 4.847 14.794 2.988 551 HD2 HIS 68 HD2 HIS 68 7.161 11.363 3.382 552 HE1 HIS 68 HE1 HIS 68 7.226 15.560 2.775 553 HE2 HIS 68 HE2 HIS 68 8.602 13.459 2.909 554 H VAL 69 H VAL 69 3.248 9.266 1.274 555 HA VAL 69 HA VAL 69 0.400 9.222 1.494 556 HB VAL 69 HB VAL 69 2.253 6.845 1.183 557 HG11 VAL 69 1HG1 VAL 69 -0.029 6.210 1.711 558 HG12 VAL 69 2HG1 VAL 69 0.324 5.824 0.027 559 HG13 VAL 69 3HG1 VAL 69 -0.645 7.244 0.424 560 HG21 VAL 69 3HG2 VAL 69 2.792 8.509 -0.516 561 HG22 VAL 69 1HG2 VAL 69 1.091 8.625 -0.968 562 HG23 VAL 69 2HG2 VAL 69 1.978 7.126 -1.246 563 H THR 70 H THR 70 -0.915 8.126 2.975 564 HA THR 70 HA THR 70 0.399 7.375 5.524 565 HB THR 70 HB THR 70 -1.609 8.035 6.714 566 HG1 THR 70 HG1 THR 70 -2.659 8.352 4.104 567 HG21 THR 70 3HG2 THR 70 -1.604 10.461 6.293 568 HG22 THR 70 1HG2 THR 70 -0.753 10.192 4.771 569 HG23 THR 70 2HG2 THR 70 0.032 9.801 6.301 570 H GLN 71 H GLN 71 -0.983 5.847 6.874 571 HA GLN 71 HA GLN 71 -1.184 3.387 5.580 572 HB2 GLN 71 2HB GLN 71 -0.906 3.766 8.042 573 HB3 GLN 71 3HB GLN 71 -2.612 4.186 8.124 574 HG2 GLN 71 2HG GLN 71 -3.122 1.907 7.203 575 HG3 GLN 71 3HG GLN 71 -1.413 1.520 7.403 576 HE21 GLN 71 1HE2 GLN 71 -1.735 -0.053 8.923 577 HE22 GLN 71 2HE2 GLN 71 -2.315 0.273 10.517 578 H GLU 72 H GLU 72 -3.690 5.784 6.264 579 HA GLU 72 HA GLU 72 -5.991 4.337 5.716 580 HB2 GLU 72 2HB GLU 72 -5.400 7.251 5.145 581 HB3 GLU 72 3HB GLU 72 -7.009 6.542 5.100 582 HG2 GLU 72 2HG GLU 72 -6.818 5.971 7.479 583 HG3 GLU 72 3HG GLU 72 -5.210 6.693 7.519 584 H ASP 73 H ASP 73 -3.820 5.963 3.420 585 HA ASP 73 HA ASP 73 -5.437 5.616 1.125 586 HB2 ASP 73 2HB ASP 73 -2.419 5.861 1.272 587 HB3 ASP 73 3HB ASP 73 -3.413 6.147 -0.153 588 H PHE 74 H PHE 74 -2.860 3.627 2.540 589 HA PHE 74 HA PHE 74 -2.714 1.731 0.447 590 HB2 PHE 74 2HB PHE 74 -1.911 1.584 3.350 591 HB3 PHE 74 3HB PHE 74 -1.639 0.260 2.225 592 HD1 PHE 74 HD2 PHE 74 -0.106 0.562 0.302 593 HD2 PHE 74 HD1 PHE 74 -0.504 3.512 3.351 594 HE1 PHE 74 HE2 PHE 74 2.023 1.576 -0.400 595 HE2 PHE 74 HE1 PHE 74 1.625 4.528 2.650 596 HZ PHE 74 HZ PHE 74 2.892 3.559 0.776 597 H GLU 75 H GLU 75 -4.552 1.649 3.526 598 HA GLU 75 HA GLU 75 -5.515 -0.997 3.108 599 HB2 GLU 75 2HB GLU 75 -7.130 -0.501 4.933 600 HB3 GLU 75 3HB GLU 75 -5.457 -0.164 5.347 601 HG2 GLU 75 2HG GLU 75 -5.899 2.247 4.872 602 HG3 GLU 75 3HG GLU 75 -7.602 1.836 4.657 603 H MET 76 H MET 76 -6.895 2.178 2.315 604 HA MET 76 HA MET 76 -9.350 1.240 1.271 605 HB2 MET 76 2HB MET 76 -7.673 3.653 0.544 606 HB3 MET 76 3HB MET 76 -9.267 3.346 -0.134 607 HG2 MET 76 2HG MET 76 -8.642 3.742 2.787 608 HG3 MET 76 3HG MET 76 -9.366 4.935 1.708 609 HE1 MET 76 3HE MET 76 -12.825 3.294 0.876 610 HE2 MET 76 1HE MET 76 -11.344 2.989 -0.034 611 HE3 MET 76 2HE MET 76 -11.708 4.616 0.540 612 H ALA 77 H ALA 77 -6.150 1.624 -0.188 613 HA ALA 77 HA ALA 77 -6.764 0.863 -2.810 614 HB1 ALA 77 3HB ALA 77 -4.383 0.377 -3.041 615 HB2 ALA 77 1HB ALA 77 -4.194 0.412 -1.287 616 HB3 ALA 77 2HB ALA 77 -4.639 1.881 -2.157 617 H VAL 78 H VAL 78 -5.649 -1.161 -0.076 618 HA VAL 78 HA VAL 78 -5.630 -3.645 -1.337 619 HB VAL 78 HB VAL 78 -6.448 -3.072 1.527 620 HG11 VAL 78 1HG1 VAL 78 -7.127 -5.312 0.856 621 HG12 VAL 78 2HG1 VAL 78 -5.773 -5.396 1.980 622 HG13 VAL 78 3HG1 VAL 78 -5.503 -5.649 0.255 623 HG21 VAL 78 3HG2 VAL 78 -4.238 -2.179 1.012 624 HG22 VAL 78 1HG2 VAL 78 -3.738 -3.739 0.359 625 HG23 VAL 78 2HG2 VAL 78 -4.106 -3.577 2.077 626 H ALA 79 H ALA 79 -8.343 -2.022 0.303 627 HA ALA 79 HA ALA 79 -10.293 -3.993 -0.088 628 HB1 ALA 79 3HB ALA 79 -10.679 -1.000 0.023 629 HB2 ALA 79 1HB ALA 79 -10.579 -2.078 1.415 630 HB3 ALA 79 2HB ALA 79 -11.927 -2.218 0.286 631 H LYS 80 H LYS 80 -9.300 -1.313 -2.198 632 HA LYS 80 HA LYS 80 -11.298 -1.742 -4.181 633 HB2 LYS 80 2HB LYS 80 -10.120 0.406 -3.890 634 HB3 LYS 80 3HB LYS 80 -8.620 -0.347 -4.405 635 HG2 LYS 80 2HG LYS 80 -9.315 0.769 -6.308 636 HG3 LYS 80 3HG LYS 80 -9.889 -0.869 -6.599 637 HD2 LYS 80 2HD LYS 80 -11.615 1.328 -5.444 638 HD3 LYS 80 3HD LYS 80 -11.515 0.977 -7.167 639 HE2 LYS 80 2HE LYS 80 -12.372 -1.278 -6.769 640 HE3 LYS 80 3HE LYS 80 -12.423 -0.965 -5.034 641 HZ1 LYS 80 3HZ LYS 80 -14.044 0.362 -7.135 642 HZ2 LYS 80 1HZ LYS 80 -14.004 0.858 -5.518 643 HZ3 LYS 80 2HZ LYS 80 -14.597 -0.670 -5.915 644 H VAL 81 H VAL 81 -8.047 -3.004 -3.729 645 HA VAL 81 HA VAL 81 -7.847 -4.175 -6.354 646 HB VAL 81 HB VAL 81 -6.163 -4.561 -3.870 647 HG11 VAL 81 1HG1 VAL 81 -6.002 -6.538 -5.309 648 HG12 VAL 81 2HG1 VAL 81 -4.498 -5.616 -5.322 649 HG13 VAL 81 3HG1 VAL 81 -5.612 -5.511 -6.688 650 HG21 VAL 81 3HG2 VAL 81 -6.073 -2.302 -4.800 651 HG22 VAL 81 1HG2 VAL 81 -5.677 -2.960 -6.388 652 HG23 VAL 81 2HG2 VAL 81 -4.543 -3.142 -5.050 653 H MET 82 H MET 82 -8.405 -5.503 -3.081 654 HA MET 82 HA MET 82 -8.700 -8.193 -4.141 655 HB2 MET 82 2HB MET 82 -8.914 -7.109 -1.327 656 HB3 MET 82 3HB MET 82 -9.085 -8.810 -1.742 657 HG2 MET 82 2HG MET 82 -6.628 -7.121 -2.191 658 HG3 MET 82 3HG MET 82 -6.849 -8.313 -0.911 659 HE1 MET 82 3HE MET 82 -8.391 -10.660 -2.469 660 HE2 MET 82 1HE MET 82 -7.069 -10.913 -1.329 661 HE3 MET 82 2HE MET 82 -7.016 -11.666 -2.922 662 H GLN 83 H GLN 83 -10.801 -5.592 -3.155 663 HA GLN 83 HA GLN 83 -13.063 -5.314 -3.194 664 HB2 GLN 83 2HB GLN 83 -13.070 -7.797 -4.928 665 HB3 GLN 83 3HB GLN 83 -14.362 -6.609 -4.804 666 HG2 GLN 83 2HG GLN 83 -12.880 -4.907 -5.763 667 HG3 GLN 83 3HG GLN 83 -11.599 -6.111 -5.908 668 HE21 GLN 83 1HE2 GLN 83 -11.860 -7.806 -7.408 669 HE22 GLN 83 2HE2 GLN 83 -12.962 -7.670 -8.730 670 H LYS 84 H LYS 84 -11.795 -7.222 -1.191 671 HA LYS 84 HA LYS 84 -14.307 -8.444 -0.281 672 HB2 LYS 84 2HB LYS 84 -13.079 -10.267 -1.296 673 HB3 LYS 84 3HB LYS 84 -11.624 -9.844 -0.403 674 HG2 LYS 84 2HG LYS 84 -12.794 -11.815 0.518 675 HG3 LYS 84 3HG LYS 84 -12.641 -10.494 1.680 676 HD2 LYS 84 2HD LYS 84 -14.978 -9.804 1.098 677 HD3 LYS 84 3HD LYS 84 -15.105 -11.255 0.099 678 HE2 LYS 84 2HE LYS 84 -14.825 -12.670 2.019 679 HE3 LYS 84 3HE LYS 84 -14.454 -11.286 3.047 680 HZ1 LYS 84 3HZ LYS 84 -17.057 -11.789 1.709 681 HZ2 LYS 84 1HZ LYS 84 -16.698 -10.475 2.716 682 HZ3 LYS 84 2HZ LYS 84 -16.725 -12.046 3.346 683 H ASP 85 H ASP 85 -14.774 -8.066 1.774 684 HA ASP 85 HA ASP 85 -13.003 -6.540 3.438 685 HB2 ASP 85 2HB ASP 85 -14.882 -6.621 5.064 686 HB3 ASP 85 3HB ASP 85 -15.381 -6.061 3.472 687 H SER 86 H SER 86 -11.287 -7.592 4.269 688 HA SER 86 HA SER 86 -11.237 -10.338 4.994 689 HB2 SER 86 2HB SER 86 -9.181 -9.148 4.393 690 HB3 SER 86 3HB SER 86 -9.348 -8.109 5.810 691 HG SER 86 HG SER 86 -8.423 -9.601 6.939 Start of MODEL 12 1 H1 MET 1 1H MET 1 16.861 -34.594 3.463 2 H2 MET 1 2H MET 1 17.555 -33.078 3.228 3 H3 MET 1 3H MET 1 15.982 -33.376 2.687 4 HA MET 1 HA MET 1 15.186 -33.626 4.917 5 HB2 MET 1 2HB MET 1 17.298 -34.579 5.823 6 HB3 MET 1 3HB MET 1 18.019 -32.978 5.771 7 HG2 MET 1 2HG MET 1 16.365 -32.174 7.382 8 HG3 MET 1 3HG MET 1 15.628 -33.775 7.424 9 HE1 MET 1 3HE MET 1 16.481 -32.303 10.067 10 HE2 MET 1 1HE MET 1 17.311 -33.589 10.944 11 HE3 MET 1 2HE MET 1 15.830 -33.942 10.056 12 H GLY 2 H GLY 2 17.632 -31.249 3.877 13 HA2 GLY 2 2HA GLY 2 16.591 -29.046 5.307 14 HA3 GLY 2 3HA GLY 2 17.638 -28.954 3.901 15 H HIS 3 H HIS 3 14.830 -27.834 5.015 16 HA HIS 3 HA HIS 3 13.397 -28.018 2.445 17 HB2 HIS 3 2HB HIS 3 12.449 -27.334 5.231 18 HB3 HIS 3 3HB HIS 3 11.457 -27.077 3.798 19 HD1 HIS 3 HD1 HIS 3 13.132 -29.891 5.707 20 HD2 HIS 3 HD2 HIS 3 10.115 -29.292 2.913 21 HE1 HIS 3 HE1 HIS 3 12.004 -32.113 5.451 22 HE2 HIS 3 HE2 HIS 3 10.335 -31.775 3.606 23 H HIS 4 H HIS 4 12.820 -26.241 1.289 24 HA HIS 4 HA HIS 4 14.096 -23.697 2.044 25 HB2 HIS 4 2HB HIS 4 13.069 -24.560 -0.675 26 HB3 HIS 4 3HB HIS 4 14.032 -23.129 -0.318 27 HD1 HIS 4 HD1 HIS 4 16.541 -23.663 0.589 28 HD2 HIS 4 HD2 HIS 4 14.531 -26.785 -1.281 29 HE1 HIS 4 HE1 HIS 4 18.307 -25.341 -0.004 30 HE2 HIS 4 HE2 HIS 4 17.052 -27.294 -0.974 31 H HIS 5 H HIS 5 12.544 -22.776 3.363 32 HA HIS 5 HA HIS 5 9.750 -22.979 2.748 33 HB2 HIS 5 2HB HIS 5 9.465 -21.505 4.788 34 HB3 HIS 5 3HB HIS 5 10.274 -23.043 5.053 35 HD1 HIS 5 HD1 HIS 5 10.758 -19.387 5.303 36 HD2 HIS 5 HD2 HIS 5 13.058 -22.831 5.635 37 HE1 HIS 5 HE1 HIS 5 12.899 -18.663 6.394 38 HE2 HIS 5 HE2 HIS 5 14.352 -20.713 6.359 39 H HIS 6 H HIS 6 9.932 -21.977 0.611 40 HA HIS 6 HA HIS 6 9.265 -19.112 0.832 41 HB2 HIS 6 2HB HIS 6 10.938 -20.441 -1.314 42 HB3 HIS 6 3HB HIS 6 10.179 -18.871 -1.542 43 HD1 HIS 6 HD1 HIS 6 13.333 -20.197 -0.725 44 HD2 HIS 6 HD2 HIS 6 11.044 -17.091 0.819 45 HE1 HIS 6 HE1 HIS 6 14.953 -18.689 0.449 46 HE2 HIS 6 HE2 HIS 6 13.518 -16.943 1.552 47 H HIS 7 H HIS 7 7.638 -18.383 -0.648 48 HA HIS 7 HA HIS 7 6.206 -20.404 -2.204 49 HB2 HIS 7 2HB HIS 7 5.084 -19.020 0.218 50 HB3 HIS 7 3HB HIS 7 4.014 -19.480 -1.101 51 HD1 HIS 7 HD1 HIS 7 6.194 -20.968 1.576 52 HD2 HIS 7 HD2 HIS 7 3.452 -22.189 -1.291 53 HE1 HIS 7 HE1 HIS 7 5.711 -23.372 2.095 54 HE2 HIS 7 HE2 HIS 7 4.164 -24.127 0.264 55 H HIS 8 H HIS 8 6.032 -19.515 -4.148 56 HA HIS 8 HA HIS 8 5.652 -16.684 -4.564 57 HB2 HIS 8 2HB HIS 8 6.880 -18.152 -6.179 58 HB3 HIS 8 3HB HIS 8 5.365 -18.968 -6.543 59 HD1 HIS 8 HD1 HIS 8 4.132 -18.056 -8.500 60 HD2 HIS 8 HD2 HIS 8 6.737 -15.258 -6.863 61 HE1 HIS 8 HE1 HIS 8 4.012 -16.056 -10.009 62 HE2 HIS 8 HE2 HIS 8 5.724 -14.460 -9.102 63 H SER 9 H SER 9 3.680 -19.558 -4.358 64 HA SER 9 HA SER 9 1.209 -18.024 -4.809 65 HB2 SER 9 2HB SER 9 0.090 -20.236 -4.803 66 HB3 SER 9 3HB SER 9 1.386 -20.174 -5.996 67 HG SER 9 HG SER 9 1.673 -21.257 -3.377 68 H HIS 10 H HIS 10 -0.031 -17.391 -3.117 69 HA HIS 10 HA HIS 10 -0.635 -16.910 -0.980 70 HB2 HIS 10 2HB HIS 10 0.062 -19.831 -0.582 71 HB3 HIS 10 3HB HIS 10 -0.716 -18.838 0.646 72 HD1 HIS 10 HD1 HIS 10 -3.162 -19.129 0.690 73 HD2 HIS 10 HD2 HIS 10 -1.626 -19.732 -3.124 74 HE1 HIS 10 HE1 HIS 10 -5.135 -19.712 -0.744 75 HE2 HIS 10 HE2 HIS 10 -4.152 -20.269 -2.984 76 HA PRO 11 HA PRO 11 3.769 -16.333 0.381 77 HB2 PRO 11 2HB PRO 11 3.961 -13.676 0.064 78 HB3 PRO 11 3HB PRO 11 4.112 -14.783 -1.307 79 HG2 PRO 11 2HG PRO 11 1.761 -13.133 -0.455 80 HG3 PRO 11 3HG PRO 11 2.388 -13.433 -2.086 81 HD2 PRO 11 2HD PRO 11 0.242 -14.772 -0.963 82 HD3 PRO 11 3HD PRO 11 1.237 -15.404 -2.290 83 H ASN 12 H ASN 12 4.395 -15.910 2.437 84 HA ASN 12 HA ASN 12 2.521 -15.447 4.477 85 HB2 ASN 12 2HB ASN 12 4.450 -16.714 5.016 86 HB3 ASN 12 3HB ASN 12 5.539 -15.464 4.423 87 HD21 ASN 12 1HD2 ASN 12 3.318 -16.317 6.998 88 HD22 ASN 12 2HD2 ASN 12 3.988 -15.245 8.176 89 H GLU 13 H GLU 13 2.590 -13.748 6.139 90 HA GLU 13 HA GLU 13 2.074 -11.188 5.310 91 HB2 GLU 13 2HB GLU 13 1.542 -11.995 7.546 92 HB3 GLU 13 3HB GLU 13 3.251 -12.105 7.946 93 HG2 GLU 13 2HG GLU 13 3.334 -9.586 7.521 94 HG3 GLU 13 3HG GLU 13 1.571 -9.646 7.564 95 H GLU 14 H GLU 14 5.156 -12.220 6.809 96 HA GLU 14 HA GLU 14 6.583 -9.853 6.505 97 HB2 GLU 14 2HB GLU 14 7.338 -11.713 7.899 98 HB3 GLU 14 3HB GLU 14 7.592 -12.709 6.473 99 HG2 GLU 14 2HG GLU 14 9.340 -11.133 5.724 100 HG3 GLU 14 3HG GLU 14 9.115 -10.211 7.209 101 H ALA 15 H ALA 15 6.142 -12.504 4.214 102 HA ALA 15 HA ALA 15 8.070 -11.673 2.306 103 HB1 ALA 15 3HB ALA 15 6.998 -13.262 0.798 104 HB2 ALA 15 1HB ALA 15 5.611 -13.379 1.883 105 HB3 ALA 15 2HB ALA 15 7.191 -13.965 2.404 106 H ARG 16 H ARG 16 4.517 -11.239 2.402 107 HA ARG 16 HA ARG 16 4.435 -9.627 0.041 108 HB2 ARG 16 2HB ARG 16 2.112 -9.184 0.629 109 HB3 ARG 16 3HB ARG 16 2.476 -10.893 0.823 110 HG2 ARG 16 2HG ARG 16 2.723 -10.530 3.256 111 HG3 ARG 16 3HG ARG 16 2.257 -8.843 3.027 112 HD2 ARG 16 2HD ARG 16 0.323 -10.048 3.740 113 HD3 ARG 16 3HD ARG 16 0.110 -9.649 2.037 114 HE ARG 16 HE ARG 16 1.166 -12.140 1.964 115 HH11 ARG 16 1HH1 ARG 16 -1.499 -10.777 3.663 116 HH12 ARG 16 2HH1 ARG 16 -2.409 -12.241 3.629 117 HH21 ARG 16 1HH2 ARG 16 0.004 -14.030 1.969 118 HH22 ARG 16 2HH2 ARG 16 -1.557 -14.071 2.709 119 H LEU 17 H LEU 17 4.729 -8.938 3.471 120 HA LEU 17 HA LEU 17 4.398 -6.179 3.526 121 HB2 LEU 17 2HB LEU 17 4.646 -7.380 5.573 122 HB3 LEU 17 3HB LEU 17 6.207 -8.016 5.091 123 HG LEU 17 HG LEU 17 7.159 -5.721 5.254 124 HD11 LEU 17 1HD1 LEU 17 4.474 -4.991 6.421 125 HD12 LEU 17 2HD1 LEU 17 5.129 -4.426 4.883 126 HD13 LEU 17 3HD1 LEU 17 5.914 -3.969 6.394 127 HD21 LEU 17 3HD2 LEU 17 7.384 -7.280 7.103 128 HD22 LEU 17 1HD2 LEU 17 5.832 -6.757 7.761 129 HD23 LEU 17 2HD2 LEU 17 7.193 -5.634 7.701 130 H ASP 18 H ASP 18 7.288 -8.085 2.726 131 HA ASP 18 HA ASP 18 9.105 -5.982 2.461 132 HB2 ASP 18 2HB ASP 18 9.577 -8.486 2.468 133 HB3 ASP 18 3HB ASP 18 9.142 -8.477 0.761 134 H ILE 19 H ILE 19 6.834 -7.337 0.118 135 HA ILE 19 HA ILE 19 7.617 -5.884 -2.159 136 HB ILE 19 HB ILE 19 4.781 -6.694 -1.465 137 HG12 ILE 19 2HG1 ILE 19 6.889 -8.368 -2.865 138 HG13 ILE 19 3HG1 ILE 19 6.422 -8.572 -1.180 139 HG21 ILE 19 1HG2 ILE 19 4.981 -5.235 -3.418 140 HG22 ILE 19 2HG2 ILE 19 4.502 -6.862 -3.899 141 HG23 ILE 19 3HG2 ILE 19 6.169 -6.330 -4.128 142 HD11 ILE 19 3HD1 ILE 19 4.145 -9.110 -1.882 143 HD12 ILE 19 1HD1 ILE 19 5.332 -10.206 -2.588 144 HD13 ILE 19 2HD1 ILE 19 4.628 -8.921 -3.569 145 H LEU 20 H LEU 20 5.132 -5.149 0.287 146 HA LEU 20 HA LEU 20 4.345 -2.623 -0.621 147 HB2 LEU 20 2HB LEU 20 4.475 -3.769 2.172 148 HB3 LEU 20 3HB LEU 20 3.712 -2.233 1.798 149 HG LEU 20 HG LEU 20 2.846 -4.806 0.478 150 HD11 LEU 20 1HD1 LEU 20 2.621 -5.111 2.886 151 HD12 LEU 20 2HD1 LEU 20 1.043 -4.949 2.117 152 HD13 LEU 20 3HD1 LEU 20 1.735 -3.591 3.009 153 HD21 LEU 20 3HD2 LEU 20 2.167 -2.725 -0.618 154 HD22 LEU 20 1HD2 LEU 20 1.461 -2.149 0.894 155 HD23 LEU 20 2HD2 LEU 20 0.777 -3.557 0.078 156 H LYS 21 H LYS 21 6.967 -3.528 1.592 157 HA LYS 21 HA LYS 21 7.946 -0.980 2.203 158 HB2 LYS 21 2HB LYS 21 9.378 -3.636 1.933 159 HB3 LYS 21 3HB LYS 21 10.133 -2.189 2.589 160 HG2 LYS 21 2HG LYS 21 8.906 -2.258 4.537 161 HG3 LYS 21 3HG LYS 21 7.571 -3.140 3.794 162 HD2 LYS 21 2HD LYS 21 8.823 -4.541 5.378 163 HD3 LYS 21 3HD LYS 21 8.904 -5.170 3.735 164 HE2 LYS 21 2HE LYS 21 11.136 -3.934 3.560 165 HE3 LYS 21 3HE LYS 21 11.043 -3.768 5.313 166 HZ1 LYS 21 3HZ LYS 21 10.834 -6.230 5.418 167 HZ2 LYS 21 1HZ LYS 21 12.315 -5.700 4.799 168 HZ3 LYS 21 2HZ LYS 21 11.127 -6.297 3.756 169 H ILE 22 H ILE 22 8.979 -3.191 -0.407 170 HA ILE 22 HA ILE 22 10.962 -1.606 -1.545 171 HB ILE 22 HB ILE 22 9.144 -3.635 -2.853 172 HG12 ILE 22 2HG1 ILE 22 11.998 -3.865 -1.854 173 HG13 ILE 22 3HG1 ILE 22 10.579 -4.466 -1.003 174 HG21 ILE 22 1HG2 ILE 22 11.677 -2.397 -3.936 175 HG22 ILE 22 2HG2 ILE 22 10.049 -2.195 -4.583 176 HG23 ILE 22 3HG2 ILE 22 10.833 -3.773 -4.645 177 HD11 ILE 22 3HD1 ILE 22 11.714 -6.264 -2.146 178 HD12 ILE 22 1HD1 ILE 22 11.578 -5.408 -3.682 179 HD13 ILE 22 2HD1 ILE 22 10.127 -5.992 -2.866 180 H HIS 23 H HIS 23 7.486 -1.700 -2.388 181 HA HIS 23 HA HIS 23 7.732 0.184 -4.523 182 HB2 HIS 23 2HB HIS 23 5.334 -0.801 -2.972 183 HB3 HIS 23 3HB HIS 23 5.206 0.342 -4.304 184 HD1 HIS 23 HD1 HIS 23 5.968 -0.583 -6.694 185 HD2 HIS 23 HD2 HIS 23 5.474 -3.443 -3.723 186 HE1 HIS 23 HE1 HIS 23 5.785 -2.775 -7.896 187 HE2 HIS 23 HE2 HIS 23 5.326 -4.465 -6.095 188 H SER 24 H SER 24 6.918 0.514 -1.088 189 HA SER 24 HA SER 24 5.933 3.178 -1.263 190 HB2 SER 24 2HB SER 24 6.107 3.186 1.210 191 HB3 SER 24 3HB SER 24 5.319 1.731 0.603 192 HG SER 24 HG SER 24 6.910 0.558 1.334 193 H ARG 25 H ARG 25 9.161 1.887 -0.945 194 HA ARG 25 HA ARG 25 10.507 4.057 0.192 195 HB2 ARG 25 2HB ARG 25 11.491 2.065 -1.861 196 HB3 ARG 25 3HB ARG 25 12.536 3.160 -0.962 197 HG2 ARG 25 2HG ARG 25 11.893 2.101 1.126 198 HG3 ARG 25 3HG ARG 25 10.764 1.055 0.268 199 HD2 ARG 25 2HD ARG 25 12.681 0.113 -1.003 200 HD3 ARG 25 3HD ARG 25 13.769 1.088 -0.011 201 HE ARG 25 HE ARG 25 12.150 -0.398 1.699 202 HH11 ARG 25 1HH1 ARG 25 14.674 -0.904 -0.585 203 HH12 ARG 25 2HH1 ARG 25 15.184 -2.385 0.144 204 HH21 ARG 25 1HH2 ARG 25 12.815 -2.259 2.645 205 HH22 ARG 25 2HH2 ARG 25 14.124 -3.163 1.968 206 H LYS 26 H LYS 26 9.158 3.796 -2.984 207 HA LYS 26 HA LYS 26 10.853 5.828 -4.157 208 HB2 LYS 26 2HB LYS 26 8.337 4.497 -5.183 209 HB3 LYS 26 3HB LYS 26 9.313 5.623 -6.113 210 HG2 LYS 26 2HG LYS 26 10.569 3.153 -4.972 211 HG3 LYS 26 3HG LYS 26 9.596 3.050 -6.436 212 HD2 LYS 26 2HD LYS 26 11.878 3.282 -7.103 213 HD3 LYS 26 3HD LYS 26 11.073 4.808 -7.453 214 HE2 LYS 26 2HE LYS 26 12.041 5.799 -5.450 215 HE3 LYS 26 3HE LYS 26 12.787 4.258 -5.028 216 HZ1 LYS 26 3HZ LYS 26 14.387 5.710 -6.070 217 HZ2 LYS 26 1HZ LYS 26 13.396 5.898 -7.429 218 HZ3 LYS 26 2HZ LYS 26 14.081 4.394 -7.080 219 H MET 27 H MET 27 8.306 5.989 -2.029 220 HA MET 27 HA MET 27 7.610 8.728 -2.901 221 HB2 MET 27 2HB MET 27 5.734 6.684 -1.676 222 HB3 MET 27 3HB MET 27 5.317 8.354 -2.038 223 HG2 MET 27 2HG MET 27 5.682 7.928 -4.419 224 HG3 MET 27 3HG MET 27 6.100 6.254 -4.056 225 HE1 MET 27 3HE MET 27 4.386 4.450 -3.170 226 HE2 MET 27 1HE MET 27 2.713 4.809 -2.749 227 HE3 MET 27 2HE MET 27 4.029 5.476 -1.781 228 H ASN 28 H ASN 28 6.755 10.099 -1.077 229 HA ASN 28 HA ASN 28 8.312 9.801 1.321 230 HB2 ASN 28 2HB ASN 28 5.963 11.674 0.921 231 HB3 ASN 28 3HB ASN 28 7.281 11.844 2.073 232 HD21 ASN 28 1HD2 ASN 28 6.206 12.408 -1.111 233 HD22 ASN 28 2HD2 ASN 28 7.617 13.230 -1.675 234 H LEU 29 H LEU 29 7.652 9.020 3.311 235 HA LEU 29 HA LEU 29 4.906 7.925 3.459 236 HB2 LEU 29 2HB LEU 29 7.421 6.752 4.656 237 HB3 LEU 29 3HB LEU 29 5.805 6.088 4.815 238 HG LEU 29 HG LEU 29 7.382 6.305 2.243 239 HD11 LEU 29 1HD1 LEU 29 8.247 4.594 3.752 240 HD12 LEU 29 2HD1 LEU 29 7.465 3.866 2.351 241 HD13 LEU 29 3HD1 LEU 29 6.633 3.898 3.906 242 HD21 LEU 29 3HD2 LEU 29 4.990 6.573 1.837 243 HD22 LEU 29 1HD2 LEU 29 4.657 5.102 2.755 244 HD23 LEU 29 2HD2 LEU 29 5.558 5.014 1.241 245 H THR 30 H THR 30 3.797 8.091 5.420 246 HA THR 30 HA THR 30 4.605 10.076 7.294 247 HB THR 30 HB THR 30 2.233 9.540 7.042 248 HG1 THR 30 HG1 THR 30 1.917 10.030 9.077 249 HG21 THR 30 3HG2 THR 30 2.915 6.866 8.278 250 HG22 THR 30 1HG2 THR 30 2.391 7.141 6.615 251 HG23 THR 30 2HG2 THR 30 1.288 7.465 7.952 252 H ARG 31 H ARG 31 5.296 9.801 9.480 253 HA ARG 31 HA ARG 31 7.551 8.201 9.679 254 HB2 ARG 31 2HB ARG 31 5.962 9.336 11.985 255 HB3 ARG 31 3HB ARG 31 7.659 8.878 12.015 256 HG2 ARG 31 2HG ARG 31 6.451 11.115 10.385 257 HG3 ARG 31 3HG ARG 31 7.410 11.294 11.853 258 HD2 ARG 31 2HD ARG 31 9.340 10.303 10.714 259 HD3 ARG 31 3HD ARG 31 8.379 10.108 9.248 260 HE ARG 31 HE ARG 31 8.567 12.814 10.261 261 HH11 ARG 31 1HH1 ARG 31 9.924 10.455 8.134 262 HH12 ARG 31 2HH1 ARG 31 10.648 11.652 7.118 263 HH21 ARG 31 1HH2 ARG 31 9.509 14.314 8.949 264 HH22 ARG 31 2HH2 ARG 31 10.407 13.799 7.563 265 H GLY 32 H GLY 32 4.364 7.616 11.171 266 HA2 GLY 32 2HA GLY 32 5.257 4.902 11.913 267 HA3 GLY 32 3HA GLY 32 3.898 5.758 12.621 268 H ILE 33 H ILE 33 4.827 4.965 9.257 269 HA ILE 33 HA ILE 33 2.110 4.289 8.599 270 HB ILE 33 HB ILE 33 3.506 5.319 6.905 271 HG12 ILE 33 2HG1 ILE 33 2.853 2.457 6.136 272 HG13 ILE 33 3HG1 ILE 33 1.689 3.776 6.203 273 HG21 ILE 33 1HG2 ILE 33 5.685 4.462 7.563 274 HG22 ILE 33 2HG2 ILE 33 5.386 4.147 5.854 275 HG23 ILE 33 3HG2 ILE 33 5.232 2.842 7.030 276 HD11 ILE 33 3HD1 ILE 33 4.081 3.647 4.379 277 HD12 ILE 33 1HD1 ILE 33 2.872 4.932 4.426 278 HD13 ILE 33 2HD1 ILE 33 2.413 3.305 3.924 279 H ASN 34 H ASN 34 1.199 2.439 9.215 280 HA ASN 34 HA ASN 34 2.853 0.090 9.758 281 HB2 ASN 34 2HB ASN 34 1.178 0.839 11.431 282 HB3 ASN 34 3HB ASN 34 -0.102 0.540 10.262 283 HD21 ASN 34 1HD2 ASN 34 0.267 -0.633 12.874 284 HD22 ASN 34 2HD2 ASN 34 0.379 -2.341 12.626 285 H LEU 35 H LEU 35 3.355 -0.832 7.801 286 HA LEU 35 HA LEU 35 1.332 -1.347 5.801 287 HB2 LEU 35 2HB LEU 35 4.216 -2.224 5.991 288 HB3 LEU 35 3HB LEU 35 3.179 -2.515 4.604 289 HG LEU 35 HG LEU 35 3.986 0.219 5.630 290 HD11 LEU 35 1HD1 LEU 35 4.939 -1.316 3.209 291 HD12 LEU 35 2HD1 LEU 35 5.882 -0.963 4.657 292 HD13 LEU 35 3HD1 LEU 35 5.359 0.351 3.604 293 HD21 LEU 35 3HD2 LEU 35 1.787 0.229 4.563 294 HD22 LEU 35 1HD2 LEU 35 2.456 -0.585 3.148 295 HD23 LEU 35 2HD2 LEU 35 2.978 1.050 3.556 296 H ARG 36 H ARG 36 2.434 -2.980 8.597 297 HA ARG 36 HA ARG 36 2.086 -5.673 7.795 298 HB2 ARG 36 2HB ARG 36 3.274 -4.920 9.872 299 HB3 ARG 36 3HB ARG 36 1.706 -4.542 10.578 300 HG2 ARG 36 2HG ARG 36 1.051 -6.910 10.327 301 HG3 ARG 36 3HG ARG 36 2.660 -7.265 9.696 302 HD2 ARG 36 2HD ARG 36 3.578 -6.340 11.868 303 HD3 ARG 36 3HD ARG 36 1.917 -6.336 12.467 304 HE ARG 36 HE ARG 36 2.806 -8.860 11.394 305 HH11 ARG 36 1HH1 ARG 36 2.461 -6.923 14.223 306 HH12 ARG 36 2HH1 ARG 36 2.686 -8.264 15.289 307 HH21 ARG 36 1HH2 ARG 36 3.092 -10.561 12.770 308 HH22 ARG 36 2HH2 ARG 36 3.049 -10.294 14.479 309 H LYS 37 H LYS 37 -0.115 -3.435 9.493 310 HA LYS 37 HA LYS 37 -2.382 -5.019 9.662 311 HB2 LYS 37 2HB LYS 37 -1.999 -2.654 10.572 312 HB3 LYS 37 3HB LYS 37 -2.445 -2.064 8.980 313 HG2 LYS 37 2HG LYS 37 -4.267 -3.834 10.590 314 HG3 LYS 37 3HG LYS 37 -4.240 -2.086 10.802 315 HD2 LYS 37 2HD LYS 37 -4.711 -3.404 8.134 316 HD3 LYS 37 3HD LYS 37 -6.020 -3.021 9.248 317 HE2 LYS 37 2HE LYS 37 -4.065 -1.003 8.139 318 HE3 LYS 37 3HE LYS 37 -5.656 -1.327 7.452 319 HZ1 LYS 37 3HZ LYS 37 -5.068 -0.233 10.152 320 HZ2 LYS 37 1HZ LYS 37 -6.608 -0.692 9.629 321 HZ3 LYS 37 2HZ LYS 37 -5.802 0.574 8.855 322 H ILE 38 H ILE 38 -1.196 -3.114 6.930 323 HA ILE 38 HA ILE 38 -3.346 -3.525 5.155 324 HB ILE 38 HB ILE 38 -0.419 -3.161 4.453 325 HG12 ILE 38 2HG1 ILE 38 -1.144 -1.359 5.921 326 HG13 ILE 38 3HG1 ILE 38 -0.984 -0.742 4.280 327 HG21 ILE 38 1HG2 ILE 38 -1.695 -3.904 2.539 328 HG22 ILE 38 2HG2 ILE 38 -1.295 -2.198 2.346 329 HG23 ILE 38 3HG2 ILE 38 -2.922 -2.671 2.834 330 HD11 ILE 38 3HD1 ILE 38 -2.960 0.148 5.344 331 HD12 ILE 38 1HD1 ILE 38 -3.556 -1.482 5.659 332 HD13 ILE 38 2HD1 ILE 38 -3.414 -0.900 4.000 333 H ALA 39 H ALA 39 -0.343 -5.355 5.667 334 HA ALA 39 HA ALA 39 -0.712 -7.319 3.696 335 HB1 ALA 39 3HB ALA 39 1.421 -6.964 4.824 336 HB2 ALA 39 1HB ALA 39 0.914 -8.647 4.968 337 HB3 ALA 39 2HB ALA 39 0.736 -7.551 6.339 338 H GLU 40 H GLU 40 -1.997 -7.086 6.965 339 HA GLU 40 HA GLU 40 -3.079 -9.732 7.058 340 HB2 GLU 40 2HB GLU 40 -3.405 -7.246 8.697 341 HB3 GLU 40 3HB GLU 40 -4.559 -8.557 8.906 342 HG2 GLU 40 2HG GLU 40 -1.570 -8.867 9.160 343 HG3 GLU 40 3HG GLU 40 -2.668 -8.597 10.515 344 H LEU 41 H LEU 41 -4.296 -6.637 5.912 345 HA LEU 41 HA LEU 41 -7.008 -7.493 5.592 346 HB2 LEU 41 2HB LEU 41 -5.534 -5.236 4.226 347 HB3 LEU 41 3HB LEU 41 -7.272 -5.465 4.226 348 HG LEU 41 HG LEU 41 -5.551 -4.808 6.623 349 HD11 LEU 41 1HD1 LEU 41 -6.852 -2.719 6.645 350 HD12 LEU 41 2HD1 LEU 41 -7.640 -3.207 5.144 351 HD13 LEU 41 3HD1 LEU 41 -5.902 -2.903 5.171 352 HD21 LEU 41 3HD2 LEU 41 -8.533 -5.276 6.469 353 HD22 LEU 41 1HD2 LEU 41 -7.655 -4.681 7.881 354 HD23 LEU 41 2HD2 LEU 41 -7.357 -6.312 7.279 355 H MET 42 H MET 42 -4.249 -8.370 3.946 356 HA MET 42 HA MET 42 -5.591 -8.781 1.361 357 HB2 MET 42 2HB MET 42 -2.668 -9.085 2.105 358 HB3 MET 42 3HB MET 42 -3.339 -9.175 0.483 359 HG2 MET 42 2HG MET 42 -3.514 -6.722 2.217 360 HG3 MET 42 3HG MET 42 -2.212 -7.016 1.066 361 HE1 MET 42 3HE MET 42 -3.461 -8.220 -1.471 362 HE2 MET 42 1HE MET 42 -2.397 -6.815 -1.473 363 HE3 MET 42 2HE MET 42 -3.916 -6.773 -2.367 364 HA PRO 43 HA PRO 43 -5.879 -13.068 3.083 365 HB2 PRO 43 2HB PRO 43 -8.033 -13.815 1.604 366 HB3 PRO 43 3HB PRO 43 -8.177 -12.877 3.096 367 HG2 PRO 43 2HG PRO 43 -8.210 -11.919 0.249 368 HG3 PRO 43 3HG PRO 43 -9.284 -11.474 1.589 369 HD2 PRO 43 2HD PRO 43 -7.218 -9.906 0.825 370 HD3 PRO 43 3HD PRO 43 -7.734 -10.026 2.519 371 H GLY 44 H GLY 44 -4.168 -14.172 2.243 372 HA2 GLY 44 2HA GLY 44 -2.890 -15.415 0.797 373 HA3 GLY 44 3HA GLY 44 -4.416 -15.840 0.044 374 H ALA 45 H ALA 45 -3.334 -12.521 0.077 375 HA ALA 45 HA ALA 45 -3.467 -12.453 -2.806 376 HB1 ALA 45 3HB ALA 45 -4.418 -10.663 -1.404 377 HB2 ALA 45 1HB ALA 45 -3.254 -10.062 -2.585 378 HB3 ALA 45 2HB ALA 45 -2.787 -10.227 -0.894 379 H SER 46 H SER 46 -1.837 -12.315 -4.239 380 HA SER 46 HA SER 46 0.894 -12.693 -3.261 381 HB2 SER 46 2HB SER 46 1.419 -13.366 -5.546 382 HB3 SER 46 3HB SER 46 -0.029 -14.211 -5.000 383 HG SER 46 HG SER 46 -1.235 -13.101 -6.380 384 H GLY 47 H GLY 47 2.601 -11.712 -4.917 385 HA2 GLY 47 2HA GLY 47 2.794 -8.977 -4.480 386 HA3 GLY 47 3HA GLY 47 3.700 -9.857 -5.697 387 H ALA 48 H ALA 48 1.132 -10.625 -7.063 388 HA ALA 48 HA ALA 48 0.958 -8.507 -8.920 389 HB1 ALA 48 3HB ALA 48 -1.027 -10.734 -8.437 390 HB2 ALA 48 1HB ALA 48 0.402 -10.840 -9.467 391 HB3 ALA 48 2HB ALA 48 -0.909 -9.736 -9.888 392 H GLU 49 H GLU 49 -1.202 -9.478 -6.262 393 HA GLU 49 HA GLU 49 -3.082 -7.366 -6.684 394 HB2 GLU 49 2HB GLU 49 -2.659 -8.905 -4.113 395 HB3 GLU 49 3HB GLU 49 -4.123 -8.088 -4.644 396 HG2 GLU 49 2HG GLU 49 -2.917 -10.610 -5.760 397 HG3 GLU 49 3HG GLU 49 -4.445 -10.433 -4.901 398 H VAL 50 H VAL 50 -0.383 -7.866 -4.438 399 HA VAL 50 HA VAL 50 -0.601 -5.541 -2.913 400 HB VAL 50 HB VAL 50 1.935 -6.976 -3.747 401 HG11 VAL 50 1HG1 VAL 50 1.438 -5.053 -1.471 402 HG12 VAL 50 2HG1 VAL 50 2.458 -4.773 -2.882 403 HG13 VAL 50 3HG1 VAL 50 2.909 -5.999 -1.698 404 HG21 VAL 50 3HG2 VAL 50 1.729 -8.158 -1.607 405 HG22 VAL 50 1HG2 VAL 50 0.342 -8.469 -2.652 406 HG23 VAL 50 2HG2 VAL 50 0.195 -7.342 -1.301 407 H LYS 51 H LYS 51 0.885 -6.041 -6.083 408 HA LYS 51 HA LYS 51 2.096 -3.549 -6.458 409 HB2 LYS 51 2HB LYS 51 2.453 -5.382 -8.008 410 HB3 LYS 51 3HB LYS 51 0.753 -5.380 -8.459 411 HG2 LYS 51 2HG LYS 51 1.024 -3.142 -9.438 412 HG3 LYS 51 3HG LYS 51 2.735 -3.168 -9.006 413 HD2 LYS 51 2HD LYS 51 2.388 -3.748 -11.366 414 HD3 LYS 51 3HD LYS 51 3.089 -5.094 -10.468 415 HE2 LYS 51 2HE LYS 51 0.946 -6.201 -10.358 416 HE3 LYS 51 3HE LYS 51 0.145 -4.808 -11.085 417 HZ1 LYS 51 3HZ LYS 51 2.211 -6.468 -12.433 418 HZ2 LYS 51 1HZ LYS 51 1.341 -5.188 -13.117 419 HZ3 LYS 51 2HZ LYS 51 0.545 -6.611 -12.676 420 H GLY 52 H GLY 52 -1.244 -4.572 -7.202 421 HA2 GLY 52 2HA GLY 52 -2.186 -2.119 -8.209 422 HA3 GLY 52 3HA GLY 52 -3.179 -3.363 -7.465 423 H VAL 53 H VAL 53 -2.072 -3.352 -4.891 424 HA VAL 53 HA VAL 53 -3.503 -1.288 -3.637 425 HB VAL 53 HB VAL 53 -1.288 -3.016 -2.511 426 HG11 VAL 53 1HG1 VAL 53 -1.603 -1.047 -1.115 427 HG12 VAL 53 2HG1 VAL 53 -2.242 -2.475 -0.301 428 HG13 VAL 53 3HG1 VAL 53 -3.343 -1.331 -1.069 429 HG21 VAL 53 3HG2 VAL 53 -3.163 -4.316 -3.370 430 HG22 VAL 53 1HG2 VAL 53 -4.294 -3.338 -2.433 431 HG23 VAL 53 2HG2 VAL 53 -3.129 -4.375 -1.608 432 H CYS 54 H CYS 54 0.058 -1.658 -3.952 433 HA CYS 54 HA CYS 54 0.709 0.793 -2.713 434 HB2 CYS 54 2HB CYS 54 2.931 0.513 -3.610 435 HB3 CYS 54 3HB CYS 54 2.326 -1.066 -3.123 436 HG CYS 54 HG CYS 54 3.163 0.063 -6.170 437 H THR 55 H THR 55 -0.065 0.006 -6.061 438 HA THR 55 HA THR 55 0.677 2.496 -7.213 439 HB THR 55 HB THR 55 -1.437 0.547 -8.181 440 HG1 THR 55 HG1 THR 55 0.772 -0.291 -7.950 441 HG21 THR 55 3HG2 THR 55 0.067 2.716 -9.660 442 HG22 THR 55 1HG2 THR 55 -1.647 2.749 -9.238 443 HG23 THR 55 2HG2 THR 55 -1.044 1.556 -10.389 444 H GLU 56 H GLU 56 -2.527 1.256 -6.192 445 HA GLU 56 HA GLU 56 -3.972 3.606 -6.716 446 HB2 GLU 56 2HB GLU 56 -4.510 1.366 -4.759 447 HB3 GLU 56 3HB GLU 56 -5.652 2.664 -5.082 448 HG2 GLU 56 2HG GLU 56 -4.619 0.663 -7.088 449 HG3 GLU 56 3HG GLU 56 -6.213 0.662 -6.333 450 H ALA 57 H ALA 57 -2.343 2.525 -3.739 451 HA ALA 57 HA ALA 57 -3.098 4.562 -2.005 452 HB1 ALA 57 3HB ALA 57 -1.806 2.604 -1.302 453 HB2 ALA 57 1HB ALA 57 -1.026 4.099 -0.784 454 HB3 ALA 57 2HB ALA 57 -0.399 3.212 -2.174 455 H GLY 58 H GLY 58 -0.354 4.523 -4.292 456 HA2 GLY 58 2HA GLY 58 0.554 7.149 -3.817 457 HA3 GLY 58 3HA GLY 58 0.803 6.239 -5.300 458 H MET 59 H MET 59 -1.892 5.921 -6.089 459 HA MET 59 HA MET 59 -2.424 8.344 -7.422 460 HB2 MET 59 2HB MET 59 -4.331 6.059 -6.857 461 HB3 MET 59 3HB MET 59 -4.583 7.330 -8.044 462 HG2 MET 59 2HG MET 59 -2.142 5.624 -8.246 463 HG3 MET 59 3HG MET 59 -3.697 4.973 -8.754 464 HE1 MET 59 3HE MET 59 -1.524 8.533 -10.748 465 HE2 MET 59 1HE MET 59 -0.917 7.619 -9.368 466 HE3 MET 59 2HE MET 59 -2.264 8.740 -9.163 467 H TYR 60 H TYR 60 -3.750 7.001 -4.421 468 HA TYR 60 HA TYR 60 -5.711 8.982 -3.967 469 HB2 TYR 60 2HB TYR 60 -4.177 7.331 -1.943 470 HB3 TYR 60 3HB TYR 60 -5.640 8.252 -1.606 471 HD1 TYR 60 HD2 TYR 60 -7.110 7.541 -4.208 472 HD2 TYR 60 HD1 TYR 60 -4.993 5.157 -1.382 473 HE1 TYR 60 HE2 TYR 60 -8.470 5.594 -4.831 474 HE2 TYR 60 HE1 TYR 60 -6.355 3.210 -2.004 475 HH TYR 60 HH TYR 60 -8.387 2.632 -3.022 476 H ALA 61 H ALA 61 -2.373 8.713 -2.732 477 HA ALA 61 HA ALA 61 -2.235 11.093 -1.313 478 HB1 ALA 61 3HB ALA 61 -0.490 9.384 -1.247 479 HB2 ALA 61 1HB ALA 61 0.188 10.971 -1.613 480 HB3 ALA 61 2HB ALA 61 -0.026 9.785 -2.901 481 H LEU 62 H LEU 62 -1.422 10.569 -4.754 482 HA LEU 62 HA LEU 62 -0.680 13.222 -5.326 483 HB2 LEU 62 2HB LEU 62 -1.782 11.100 -7.173 484 HB3 LEU 62 3HB LEU 62 -1.049 12.602 -7.707 485 HG LEU 62 HG LEU 62 0.353 10.403 -6.172 486 HD11 LEU 62 1HD1 LEU 62 0.634 11.269 -9.052 487 HD12 LEU 62 2HD1 LEU 62 -0.138 9.789 -8.486 488 HD13 LEU 62 3HD1 LEU 62 1.590 10.027 -8.240 489 HD21 LEU 62 3HD2 LEU 62 1.247 12.601 -5.590 490 HD22 LEU 62 1HD2 LEU 62 1.446 12.988 -7.299 491 HD23 LEU 62 2HD2 LEU 62 2.400 11.697 -6.569 492 H ARG 63 H ARG 63 -3.842 11.602 -5.838 493 HA ARG 63 HA ARG 63 -5.107 13.857 -6.989 494 HB2 ARG 63 2HB ARG 63 -7.203 12.692 -6.672 495 HB3 ARG 63 3HB ARG 63 -5.976 11.546 -7.192 496 HG2 ARG 63 2HG ARG 63 -5.716 10.771 -4.881 497 HG3 ARG 63 3HG ARG 63 -6.952 11.918 -4.362 498 HD2 ARG 63 2HD ARG 63 -7.887 9.676 -4.606 499 HD3 ARG 63 3HD ARG 63 -8.601 10.786 -5.773 500 HE ARG 63 HE ARG 63 -6.475 9.551 -7.048 501 HH11 ARG 63 1HH1 ARG 63 -9.480 8.599 -5.640 502 HH12 ARG 63 2HH1 ARG 63 -9.672 7.254 -6.712 503 HH21 ARG 63 1HH2 ARG 63 -6.748 7.834 -8.413 504 HH22 ARG 63 2HH2 ARG 63 -8.145 6.824 -8.256 505 H GLU 64 H GLU 64 -4.555 12.972 -3.651 506 HA GLU 64 HA GLU 64 -6.242 15.181 -2.708 507 HB2 GLU 64 2HB GLU 64 -4.708 13.064 -1.183 508 HB3 GLU 64 3HB GLU 64 -5.706 14.309 -0.440 509 HG2 GLU 64 2HG GLU 64 -7.659 13.407 -1.702 510 HG3 GLU 64 3HG GLU 64 -6.627 12.092 -2.264 511 H ARG 65 H ARG 65 -3.334 15.112 -4.001 512 HA ARG 65 HA ARG 65 -1.527 16.486 -4.011 513 HB2 ARG 65 2HB ARG 65 -3.191 18.289 -2.239 514 HB3 ARG 65 3HB ARG 65 -1.842 18.766 -3.265 515 HG2 ARG 65 2HG ARG 65 -4.550 17.781 -4.159 516 HG3 ARG 65 3HG ARG 65 -3.901 19.412 -4.319 517 HD2 ARG 65 2HD ARG 65 -2.786 16.948 -5.666 518 HD3 ARG 65 3HD ARG 65 -3.816 18.154 -6.435 519 HE ARG 65 HE ARG 65 -1.838 19.700 -5.634 520 HH11 ARG 65 1HH1 ARG 65 -1.681 16.583 -7.092 521 HH12 ARG 65 2HH1 ARG 65 -0.165 16.899 -7.862 522 HH21 ARG 65 1HH2 ARG 65 0.085 20.109 -6.656 523 HH22 ARG 65 2HH2 ARG 65 0.810 18.884 -7.632 524 H ARG 66 H ARG 66 -1.831 14.505 -1.809 525 HA ARG 66 HA ARG 66 -0.630 15.621 0.544 526 HB2 ARG 66 2HB ARG 66 -0.967 12.751 -0.365 527 HB3 ARG 66 3HB ARG 66 -0.334 13.217 1.208 528 HG2 ARG 66 2HG ARG 66 -2.466 14.299 1.747 529 HG3 ARG 66 3HG ARG 66 -3.096 13.839 0.163 530 HD2 ARG 66 2HD ARG 66 -2.933 11.501 0.711 531 HD3 ARG 66 3HD ARG 66 -2.101 11.866 2.221 532 HE ARG 66 HE ARG 66 -4.531 13.172 2.336 533 HH11 ARG 66 1HH1 ARG 66 -3.484 9.893 2.009 534 HH12 ARG 66 2HH1 ARG 66 -4.830 9.277 2.891 535 HH21 ARG 66 1HH2 ARG 66 -6.236 12.340 3.485 536 HH22 ARG 66 2HH2 ARG 66 -6.365 10.634 3.710 537 H VAL 67 H VAL 67 1.493 15.463 1.263 538 HA VAL 67 HA VAL 67 3.539 15.114 -0.760 539 HB VAL 67 HB VAL 67 3.854 15.689 2.200 540 HG11 VAL 67 1HG1 VAL 67 6.096 16.499 1.581 541 HG12 VAL 67 2HG1 VAL 67 5.819 15.976 -0.082 542 HG13 VAL 67 3HG1 VAL 67 5.891 14.784 1.219 543 HG21 VAL 67 3HG2 VAL 67 4.162 18.038 1.520 544 HG22 VAL 67 1HG2 VAL 67 2.552 17.440 1.110 545 HG23 VAL 67 2HG2 VAL 67 3.780 17.600 -0.145 546 H HIS 68 H HIS 68 2.512 13.483 2.226 547 HA HIS 68 HA HIS 68 4.214 11.186 1.485 548 HB2 HIS 68 2HB HIS 68 4.473 10.704 3.905 549 HB3 HIS 68 3HB HIS 68 5.173 12.247 3.435 550 HD1 HIS 68 HD1 HIS 68 4.351 14.301 4.630 551 HD2 HIS 68 HD2 HIS 68 2.030 10.946 5.431 552 HE1 HIS 68 HE1 HIS 68 2.810 14.973 6.492 553 HE2 HIS 68 HE2 HIS 68 1.559 12.878 7.084 554 H VAL 69 H VAL 69 3.351 9.173 1.586 555 HA VAL 69 HA VAL 69 0.477 8.943 1.672 556 HB VAL 69 HB VAL 69 2.518 6.730 1.333 557 HG11 VAL 69 1HG1 VAL 69 -0.380 6.897 0.491 558 HG12 VAL 69 2HG1 VAL 69 0.256 5.948 1.835 559 HG13 VAL 69 3HG1 VAL 69 0.714 5.548 0.179 560 HG21 VAL 69 3HG2 VAL 69 2.921 8.491 -0.320 561 HG22 VAL 69 1HG2 VAL 69 1.226 8.437 -0.806 562 HG23 VAL 69 2HG2 VAL 69 2.269 7.041 -1.085 563 H THR 70 H THR 70 -0.727 7.579 3.069 564 HA THR 70 HA THR 70 0.613 6.855 5.618 565 HB THR 70 HB THR 70 -1.390 7.395 6.834 566 HG1 THR 70 HG1 THR 70 -2.584 8.029 4.313 567 HG21 THR 70 3HG2 THR 70 0.063 9.314 6.357 568 HG22 THR 70 1HG2 THR 70 -1.631 9.803 6.422 569 HG23 THR 70 2HG2 THR 70 -0.824 9.622 4.864 570 H GLN 71 H GLN 71 -0.909 5.253 6.900 571 HA GLN 71 HA GLN 71 -1.227 2.871 5.409 572 HB2 GLN 71 2HB GLN 71 -0.879 2.669 7.765 573 HB3 GLN 71 3HB GLN 71 -2.254 3.705 8.130 574 HG2 GLN 71 2HG GLN 71 -3.772 1.983 7.255 575 HG3 GLN 71 3HG GLN 71 -2.389 0.948 6.913 576 HE21 GLN 71 1HE2 GLN 71 -1.415 -0.140 8.571 577 HE22 GLN 71 2HE2 GLN 71 -2.059 -0.201 10.172 578 H GLU 72 H GLU 72 -3.396 5.499 6.165 579 HA GLU 72 HA GLU 72 -5.902 4.359 5.734 580 HB2 GLU 72 2HB GLU 72 -5.009 7.170 5.028 581 HB3 GLU 72 3HB GLU 72 -6.669 6.649 5.289 582 HG2 GLU 72 2HG GLU 72 -6.215 6.208 7.620 583 HG3 GLU 72 3HG GLU 72 -4.504 6.566 7.390 584 H ASP 73 H ASP 73 -3.669 5.831 3.391 585 HA ASP 73 HA ASP 73 -5.280 5.591 1.098 586 HB2 ASP 73 2HB ASP 73 -2.253 5.491 1.252 587 HB3 ASP 73 3HB ASP 73 -3.214 5.906 -0.165 588 H PHE 74 H PHE 74 -2.769 3.411 2.383 589 HA PHE 74 HA PHE 74 -2.857 1.516 0.322 590 HB2 PHE 74 2HB PHE 74 -1.952 1.349 3.188 591 HB3 PHE 74 3HB PHE 74 -1.901 -0.060 2.134 592 HD1 PHE 74 HD2 PHE 74 -0.352 -0.167 0.263 593 HD2 PHE 74 HD1 PHE 74 -0.436 3.207 2.858 594 HE1 PHE 74 HE2 PHE 74 1.824 0.559 -0.620 595 HE2 PHE 74 HE1 PHE 74 1.740 3.940 1.976 596 HZ PHE 74 HZ PHE 74 2.874 2.617 0.236 597 H GLU 75 H GLU 75 -4.622 1.478 3.459 598 HA GLU 75 HA GLU 75 -5.829 -1.045 2.953 599 HB2 GLU 75 2HB GLU 75 -7.367 -0.502 4.812 600 HB3 GLU 75 3HB GLU 75 -5.676 -0.272 5.220 601 HG2 GLU 75 2HG GLU 75 -5.943 2.153 4.919 602 HG3 GLU 75 3HG GLU 75 -7.649 1.905 4.545 603 H MET 76 H MET 76 -6.866 2.255 2.228 604 HA MET 76 HA MET 76 -9.413 1.589 1.176 605 HB2 MET 76 2HB MET 76 -7.520 3.876 0.646 606 HB3 MET 76 3HB MET 76 -9.059 3.734 -0.195 607 HG2 MET 76 2HG MET 76 -8.684 3.943 2.786 608 HG3 MET 76 3HG MET 76 -9.232 5.228 1.711 609 HE1 MET 76 3HE MET 76 -12.668 3.699 0.448 610 HE2 MET 76 1HE MET 76 -11.100 3.359 -0.285 611 HE3 MET 76 2HE MET 76 -11.495 4.999 0.235 612 H ALA 77 H ALA 77 -6.183 1.569 -0.233 613 HA ALA 77 HA ALA 77 -6.936 0.942 -2.891 614 HB1 ALA 77 3HB ALA 77 -4.620 0.228 -3.171 615 HB2 ALA 77 1HB ALA 77 -4.394 0.233 -1.421 616 HB3 ALA 77 2HB ALA 77 -4.702 1.746 -2.275 617 H VAL 78 H VAL 78 -6.098 -1.120 -0.108 618 HA VAL 78 HA VAL 78 -6.326 -3.627 -1.332 619 HB VAL 78 HB VAL 78 -7.012 -2.894 1.531 620 HG11 VAL 78 1HG1 VAL 78 -7.932 -5.069 0.977 621 HG12 VAL 78 2HG1 VAL 78 -6.529 -5.269 2.029 622 HG13 VAL 78 3HG1 VAL 78 -6.385 -5.583 0.300 623 HG21 VAL 78 3HG2 VAL 78 -4.734 -2.249 0.917 624 HG22 VAL 78 1HG2 VAL 78 -4.417 -3.880 0.332 625 HG23 VAL 78 2HG2 VAL 78 -4.721 -3.602 2.048 626 H ALA 79 H ALA 79 -8.823 -1.649 0.263 627 HA ALA 79 HA ALA 79 -10.991 -3.394 0.021 628 HB1 ALA 79 3HB ALA 79 -12.408 -1.413 0.242 629 HB2 ALA 79 1HB ALA 79 -11.021 -0.376 -0.102 630 HB3 ALA 79 2HB ALA 79 -11.051 -1.352 1.367 631 H LYS 80 H LYS 80 -9.654 -1.110 -2.333 632 HA LYS 80 HA LYS 80 -11.729 -1.514 -4.277 633 HB2 LYS 80 2HB LYS 80 -10.427 0.568 -4.214 634 HB3 LYS 80 3HB LYS 80 -8.958 -0.328 -4.591 635 HG2 LYS 80 2HG LYS 80 -9.973 -0.997 -6.758 636 HG3 LYS 80 3HG LYS 80 -11.363 0.022 -6.383 637 HD2 LYS 80 2HD LYS 80 -8.508 1.000 -6.608 638 HD3 LYS 80 3HD LYS 80 -9.716 1.112 -7.888 639 HE2 LYS 80 2HE LYS 80 -11.103 2.541 -6.483 640 HE3 LYS 80 3HE LYS 80 -9.949 2.390 -5.159 641 HZ1 LYS 80 3HZ LYS 80 -8.289 3.489 -6.522 642 HZ2 LYS 80 1HZ LYS 80 -9.661 4.466 -6.366 643 HZ3 LYS 80 2HZ LYS 80 -9.382 3.619 -7.802 644 H VAL 81 H VAL 81 -8.280 -2.484 -4.223 645 HA VAL 81 HA VAL 81 -8.300 -3.956 -6.597 646 HB VAL 81 HB VAL 81 -6.518 -4.377 -4.183 647 HG11 VAL 81 1HG1 VAL 81 -6.100 -5.195 -7.066 648 HG12 VAL 81 2HG1 VAL 81 -6.420 -6.281 -5.714 649 HG13 VAL 81 3HG1 VAL 81 -4.917 -5.360 -5.767 650 HG21 VAL 81 3HG2 VAL 81 -6.455 -2.072 -5.000 651 HG22 VAL 81 1HG2 VAL 81 -6.110 -2.650 -6.632 652 HG23 VAL 81 2HG2 VAL 81 -4.937 -2.904 -5.339 653 H MET 82 H MET 82 -8.761 -5.111 -3.254 654 HA MET 82 HA MET 82 -9.122 -7.848 -4.165 655 HB2 MET 82 2HB MET 82 -9.259 -6.630 -1.397 656 HB3 MET 82 3HB MET 82 -9.379 -8.351 -1.738 657 HG2 MET 82 2HG MET 82 -6.996 -6.619 -2.379 658 HG3 MET 82 3HG MET 82 -7.142 -7.671 -0.972 659 HE1 MET 82 3HE MET 82 -7.192 -11.233 -2.578 660 HE2 MET 82 1HE MET 82 -8.532 -10.240 -2.003 661 HE3 MET 82 2HE MET 82 -7.036 -10.333 -1.071 662 H GLN 83 H GLN 83 -11.156 -5.179 -3.853 663 HA GLN 83 HA GLN 83 -13.418 -4.869 -3.747 664 HB2 GLN 83 2HB GLN 83 -13.356 -7.618 -5.022 665 HB3 GLN 83 3HB GLN 83 -14.772 -6.574 -4.973 666 HG2 GLN 83 2HG GLN 83 -13.659 -4.916 -6.324 667 HG3 GLN 83 3HG GLN 83 -12.160 -5.846 -6.286 668 HE21 GLN 83 1HE2 GLN 83 -15.386 -5.672 -7.579 669 HE22 GLN 83 2HE2 GLN 83 -15.163 -6.842 -8.825 670 H LYS 84 H LYS 84 -12.634 -5.421 -1.291 671 HA LYS 84 HA LYS 84 -14.323 -7.623 -0.266 672 HB2 LYS 84 2HB LYS 84 -12.611 -7.879 1.537 673 HB3 LYS 84 3HB LYS 84 -12.028 -8.282 -0.074 674 HG2 LYS 84 2HG LYS 84 -10.770 -6.291 -0.238 675 HG3 LYS 84 3HG LYS 84 -11.578 -5.570 1.155 676 HD2 LYS 84 2HD LYS 84 -9.814 -8.020 1.290 677 HD3 LYS 84 3HD LYS 84 -9.262 -6.377 1.626 678 HE2 LYS 84 2HE LYS 84 -10.890 -6.192 3.443 679 HE3 LYS 84 3HE LYS 84 -11.468 -7.822 3.097 680 HZ1 LYS 84 3HZ LYS 84 -9.852 -7.606 4.977 681 HZ2 LYS 84 1HZ LYS 84 -8.661 -7.244 3.830 682 HZ3 LYS 84 2HZ LYS 84 -9.442 -8.746 3.797 683 H ASP 85 H ASP 85 -14.855 -7.444 2.059 684 HA ASP 85 HA ASP 85 -15.631 -6.443 3.927 685 HB2 ASP 85 2HB ASP 85 -13.353 -5.388 3.940 686 HB3 ASP 85 3HB ASP 85 -14.051 -3.994 3.120 687 H SER 86 H SER 86 -15.491 -3.584 1.773 688 HA SER 86 HA SER 86 -18.150 -2.789 2.486 689 HB2 SER 86 2HB SER 86 -17.835 -1.002 0.784 690 HB3 SER 86 3HB SER 86 -16.500 -1.093 1.929 691 HG SER 86 HG SER 86 -16.275 -2.586 -0.417 Start of MODEL 13 1 H1 MET 1 1H MET 1 18.767 -17.715 -15.313 2 H2 MET 1 2H MET 1 18.469 -16.775 -13.940 3 H3 MET 1 3H MET 1 17.821 -16.318 -15.430 4 HA MET 1 HA MET 1 17.138 -18.789 -13.939 5 HB2 MET 1 2HB MET 1 14.922 -17.685 -13.603 6 HB3 MET 1 3HB MET 1 16.243 -16.876 -12.772 7 HG2 MET 1 2HG MET 1 14.980 -16.001 -15.366 8 HG3 MET 1 3HG MET 1 14.734 -15.267 -13.783 9 HE1 MET 1 3HE MET 1 15.367 -12.869 -14.744 10 HE2 MET 1 1HE MET 1 15.590 -13.579 -16.344 11 HE3 MET 1 2HE MET 1 16.841 -12.542 -15.655 12 H GLY 2 H GLY 2 15.557 -20.116 -14.908 13 HA2 GLY 2 2HA GLY 2 14.939 -19.523 -17.754 14 HA3 GLY 2 3HA GLY 2 15.337 -21.136 -17.181 15 H HIS 3 H HIS 3 13.873 -21.637 -15.082 16 HA HIS 3 HA HIS 3 11.073 -20.921 -15.723 17 HB2 HIS 3 2HB HIS 3 12.162 -23.534 -14.637 18 HB3 HIS 3 3HB HIS 3 10.450 -23.140 -14.713 19 HD1 HIS 3 HD1 HIS 3 12.641 -25.173 -16.415 20 HD2 HIS 3 HD2 HIS 3 10.000 -22.238 -17.704 21 HE1 HIS 3 HE1 HIS 3 12.192 -25.689 -18.827 22 HE2 HIS 3 HE2 HIS 3 10.717 -23.818 -19.623 23 H HIS 4 H HIS 4 9.707 -21.669 -13.567 24 HA HIS 4 HA HIS 4 10.445 -19.777 -11.570 25 HB2 HIS 4 2HB HIS 4 8.360 -21.977 -11.468 26 HB3 HIS 4 3HB HIS 4 8.492 -20.641 -10.325 27 HD1 HIS 4 HD1 HIS 4 6.573 -21.572 -13.120 28 HD2 HIS 4 HD2 HIS 4 8.413 -18.034 -11.962 29 HE1 HIS 4 HE1 HIS 4 5.401 -19.761 -14.396 30 HE2 HIS 4 HE2 HIS 4 6.436 -17.619 -13.573 31 H HIS 5 H HIS 5 12.173 -20.093 -10.298 32 HA HIS 5 HA HIS 5 13.056 -22.780 -9.655 33 HB2 HIS 5 2HB HIS 5 14.639 -20.973 -10.359 34 HB3 HIS 5 3HB HIS 5 14.295 -20.138 -8.849 35 HD1 HIS 5 HD1 HIS 5 16.009 -23.203 -10.193 36 HD2 HIS 5 HD2 HIS 5 15.649 -21.106 -6.627 37 HE1 HIS 5 HE1 HIS 5 17.724 -24.195 -8.659 38 HE2 HIS 5 HE2 HIS 5 17.659 -22.732 -6.614 39 H HIS 6 H HIS 6 11.038 -23.152 -8.362 40 HA HIS 6 HA HIS 6 10.254 -23.844 -6.351 41 HB2 HIS 6 2HB HIS 6 12.641 -24.399 -5.933 42 HB3 HIS 6 3HB HIS 6 12.858 -22.813 -5.203 43 HD1 HIS 6 HD1 HIS 6 12.885 -23.001 -2.739 44 HD2 HIS 6 HD2 HIS 6 10.264 -25.733 -4.455 45 HE1 HIS 6 HE1 HIS 6 11.863 -24.252 -0.819 46 HE2 HIS 6 HE2 HIS 6 10.147 -25.763 -1.874 47 H HIS 7 H HIS 7 10.592 -20.626 -7.033 48 HA HIS 7 HA HIS 7 9.802 -19.576 -4.448 49 HB2 HIS 7 2HB HIS 7 10.031 -18.260 -7.164 50 HB3 HIS 7 3HB HIS 7 9.570 -17.406 -5.693 51 HD1 HIS 7 HD1 HIS 7 12.508 -18.895 -7.439 52 HD2 HIS 7 HD2 HIS 7 11.662 -16.997 -3.844 53 HE1 HIS 7 HE1 HIS 7 14.736 -18.341 -6.430 54 HE2 HIS 7 HE2 HIS 7 14.202 -17.146 -4.284 55 H HIS 8 H HIS 8 7.808 -19.499 -3.696 56 HA HIS 8 HA HIS 8 5.619 -20.532 -5.270 57 HB2 HIS 8 2HB HIS 8 5.602 -19.469 -2.431 58 HB3 HIS 8 3HB HIS 8 4.344 -20.441 -3.189 59 HD1 HIS 8 HD1 HIS 8 6.670 -20.913 -0.734 60 HD2 HIS 8 HD2 HIS 8 5.957 -22.965 -4.272 61 HE1 HIS 8 HE1 HIS 8 7.643 -23.198 -0.393 62 HE2 HIS 8 HE2 HIS 8 6.975 -24.484 -2.448 63 H SER 9 H SER 9 3.574 -19.496 -5.579 64 HA SER 9 HA SER 9 3.770 -16.593 -5.939 65 HB2 SER 9 2HB SER 9 2.943 -17.940 -7.834 66 HB3 SER 9 3HB SER 9 1.599 -18.511 -6.844 67 HG SER 9 HG SER 9 1.714 -15.815 -6.788 68 H HIS 10 H HIS 10 2.873 -18.536 -3.470 69 HA HIS 10 HA HIS 10 0.628 -16.860 -2.581 70 HB2 HIS 10 2HB HIS 10 1.710 -19.503 -1.593 71 HB3 HIS 10 3HB HIS 10 0.521 -18.571 -0.688 72 HD1 HIS 10 HD1 HIS 10 -1.848 -19.007 -1.245 73 HD2 HIS 10 HD2 HIS 10 0.701 -20.247 -4.280 74 HE1 HIS 10 HE1 HIS 10 -3.314 -20.163 -2.918 75 HE2 HIS 10 HE2 HIS 10 -1.777 -20.767 -4.815 76 HA PRO 11 HA PRO 11 3.964 -14.887 -0.203 77 HB2 PRO 11 2HB PRO 11 2.409 -12.452 -0.257 78 HB3 PRO 11 3HB PRO 11 3.903 -12.818 -1.120 79 HG2 PRO 11 2HG PRO 11 1.480 -12.466 -2.356 80 HG3 PRO 11 3HG PRO 11 2.800 -13.441 -3.026 81 HD2 PRO 11 2HD PRO 11 0.362 -14.342 -1.514 82 HD3 PRO 11 3HD PRO 11 1.105 -15.037 -2.974 83 H ASN 12 H ASN 12 3.731 -15.777 1.828 84 HA ASN 12 HA ASN 12 1.574 -15.326 3.603 85 HB2 ASN 12 2HB ASN 12 4.485 -15.969 4.137 86 HB3 ASN 12 3HB ASN 12 3.255 -15.915 5.397 87 HD21 ASN 12 1HD2 ASN 12 4.439 -17.645 2.628 88 HD22 ASN 12 2HD2 ASN 12 3.514 -19.078 2.888 89 H GLU 13 H GLU 13 2.226 -14.178 5.873 90 HA GLU 13 HA GLU 13 1.922 -11.477 5.510 91 HB2 GLU 13 2HB GLU 13 1.555 -12.632 7.652 92 HB3 GLU 13 3HB GLU 13 3.292 -12.829 7.847 93 HG2 GLU 13 2HG GLU 13 3.559 -10.395 7.949 94 HG3 GLU 13 3HG GLU 13 1.819 -10.195 7.750 95 H GLU 14 H GLU 14 5.009 -13.075 6.320 96 HA GLU 14 HA GLU 14 6.627 -10.782 6.202 97 HB2 GLU 14 2HB GLU 14 7.421 -13.657 5.668 98 HB3 GLU 14 3HB GLU 14 8.532 -12.344 6.023 99 HG2 GLU 14 2HG GLU 14 8.375 -13.392 8.060 100 HG3 GLU 14 3HG GLU 14 7.164 -12.125 8.225 101 H ALA 15 H ALA 15 5.531 -12.951 3.670 102 HA ALA 15 HA ALA 15 7.476 -12.106 1.729 103 HB1 ALA 15 3HB ALA 15 6.249 -13.519 0.167 104 HB2 ALA 15 1HB ALA 15 4.946 -13.700 1.343 105 HB3 ALA 15 2HB ALA 15 6.543 -14.363 1.688 106 H ARG 16 H ARG 16 3.950 -11.514 2.093 107 HA ARG 16 HA ARG 16 3.870 -9.720 -0.128 108 HB2 ARG 16 2HB ARG 16 1.604 -9.130 0.662 109 HB3 ARG 16 3HB ARG 16 1.851 -10.863 0.508 110 HG2 ARG 16 2HG ARG 16 2.244 -10.931 2.996 111 HG3 ARG 16 3HG ARG 16 1.731 -9.242 3.047 112 HD2 ARG 16 2HD ARG 16 -0.432 -9.851 2.098 113 HD3 ARG 16 3HD ARG 16 0.073 -11.536 1.975 114 HE ARG 16 HE ARG 16 -0.453 -10.074 4.477 115 HH11 ARG 16 1HH1 ARG 16 -0.027 -13.038 2.781 116 HH12 ARG 16 2HH1 ARG 16 -0.627 -13.993 4.090 117 HH21 ARG 16 1HH2 ARG 16 -1.201 -11.310 6.158 118 HH22 ARG 16 2HH2 ARG 16 -1.290 -13.024 5.981 119 H LEU 17 H LEU 17 4.300 -9.270 3.353 120 HA LEU 17 HA LEU 17 4.281 -6.434 3.350 121 HB2 LEU 17 2HB LEU 17 4.128 -7.795 5.400 122 HB3 LEU 17 3HB LEU 17 5.778 -8.338 5.165 123 HG LEU 17 HG LEU 17 6.594 -6.038 5.497 124 HD11 LEU 17 1HD1 LEU 17 5.056 -4.305 6.326 125 HD12 LEU 17 2HD1 LEU 17 3.692 -5.380 6.014 126 HD13 LEU 17 3HD1 LEU 17 4.679 -4.794 4.675 127 HD21 LEU 17 3HD2 LEU 17 6.438 -7.541 7.415 128 HD22 LEU 17 1HD2 LEU 17 4.779 -7.016 7.705 129 HD23 LEU 17 2HD2 LEU 17 6.112 -5.876 7.892 130 H ASP 18 H ASP 18 6.761 -8.813 2.627 131 HA ASP 18 HA ASP 18 9.047 -7.234 2.464 132 HB2 ASP 18 2HB ASP 18 8.934 -9.717 2.250 133 HB3 ASP 18 3HB ASP 18 8.250 -9.525 0.644 134 H ILE 19 H ILE 19 6.735 -8.013 -0.133 135 HA ILE 19 HA ILE 19 7.778 -6.377 -2.150 136 HB ILE 19 HB ILE 19 4.842 -6.992 -1.737 137 HG12 ILE 19 2HG1 ILE 19 6.842 -8.709 -3.231 138 HG13 ILE 19 3HG1 ILE 19 6.363 -9.022 -1.566 139 HG21 ILE 19 1HG2 ILE 19 5.300 -5.366 -3.497 140 HG22 ILE 19 2HG2 ILE 19 4.740 -6.888 -4.194 141 HG23 ILE 19 3HG2 ILE 19 6.455 -6.473 -4.243 142 HD11 ILE 19 3HD1 ILE 19 4.036 -9.275 -2.301 143 HD12 ILE 19 1HD1 ILE 19 5.124 -10.428 -3.082 144 HD13 ILE 19 2HD1 ILE 19 4.552 -9.015 -3.970 145 H LEU 20 H LEU 20 5.235 -5.697 0.253 146 HA LEU 20 HA LEU 20 4.602 -3.082 -0.470 147 HB2 LEU 20 2HB LEU 20 4.595 -4.423 2.236 148 HB3 LEU 20 3HB LEU 20 3.927 -2.823 1.956 149 HG LEU 20 HG LEU 20 2.976 -5.286 0.483 150 HD11 LEU 20 1HD1 LEU 20 2.569 -5.581 2.868 151 HD12 LEU 20 2HD1 LEU 20 1.063 -5.309 1.992 152 HD13 LEU 20 3HD1 LEU 20 1.781 -4.003 2.940 153 HD21 LEU 20 3HD2 LEU 20 2.522 -3.171 -0.645 154 HD22 LEU 20 1HD2 LEU 20 1.771 -2.535 0.822 155 HD23 LEU 20 2HD2 LEU 20 1.032 -3.888 -0.034 156 H LYS 21 H LYS 21 7.153 -4.224 1.735 157 HA LYS 21 HA LYS 21 8.172 -1.737 2.518 158 HB2 LYS 21 2HB LYS 21 9.526 -4.412 2.148 159 HB3 LYS 21 3HB LYS 21 10.366 -3.005 2.787 160 HG2 LYS 21 2HG LYS 21 8.858 -2.913 4.676 161 HG3 LYS 21 3HG LYS 21 7.909 -4.249 4.018 162 HD2 LYS 21 2HD LYS 21 9.756 -5.772 4.291 163 HD3 LYS 21 3HD LYS 21 10.839 -4.453 4.736 164 HE2 LYS 21 2HE LYS 21 8.407 -5.281 6.327 165 HE3 LYS 21 3HE LYS 21 10.055 -5.799 6.676 166 HZ1 LYS 21 3HZ LYS 21 9.478 -3.941 8.062 167 HZ2 LYS 21 1HZ LYS 21 9.052 -3.005 6.717 168 HZ3 LYS 21 2HZ LYS 21 10.666 -3.452 6.956 169 H ILE 22 H ILE 22 9.271 -3.828 -0.163 170 HA ILE 22 HA ILE 22 11.306 -2.181 -1.126 171 HB ILE 22 HB ILE 22 9.567 -4.088 -2.710 172 HG12 ILE 22 2HG1 ILE 22 12.237 -4.505 -1.325 173 HG13 ILE 22 3HG1 ILE 22 10.689 -5.152 -0.794 174 HG21 ILE 22 1HG2 ILE 22 12.287 -2.945 -3.383 175 HG22 ILE 22 2HG2 ILE 22 10.767 -2.550 -4.183 176 HG23 ILE 22 3HG2 ILE 22 11.429 -4.178 -4.310 177 HD11 ILE 22 3HD1 ILE 22 12.007 -6.851 -1.899 178 HD12 ILE 22 1HD1 ILE 22 12.119 -5.853 -3.349 179 HD13 ILE 22 2HD1 ILE 22 10.557 -6.491 -2.834 180 H HIS 23 H HIS 23 7.849 -2.162 -2.002 181 HA HIS 23 HA HIS 23 8.250 -0.178 -4.071 182 HB2 HIS 23 2HB HIS 23 5.807 -1.549 -2.969 183 HB3 HIS 23 3HB HIS 23 5.683 -0.240 -4.140 184 HD1 HIS 23 HD1 HIS 23 5.989 -0.831 -6.545 185 HD2 HIS 23 HD2 HIS 23 7.218 -3.885 -4.005 186 HE1 HIS 23 HE1 HIS 23 6.495 -2.785 -8.040 187 HE2 HIS 23 HE2 HIS 23 7.416 -4.549 -6.501 188 H SER 24 H SER 24 6.863 -0.155 -0.786 189 HA SER 24 HA SER 24 5.710 2.399 -0.860 190 HB2 SER 24 2HB SER 24 5.799 2.359 1.595 191 HB3 SER 24 3HB SER 24 5.296 0.790 0.964 192 HG SER 24 HG SER 24 7.088 -0.087 1.674 193 H ARG 25 H ARG 25 9.029 1.434 -0.275 194 HA ARG 25 HA ARG 25 10.198 3.713 0.731 195 HB2 ARG 25 2HB ARG 25 11.267 1.809 -1.362 196 HB3 ARG 25 3HB ARG 25 12.253 2.988 -0.507 197 HG2 ARG 25 2HG ARG 25 12.028 1.863 1.542 198 HG3 ARG 25 3HG ARG 25 10.658 0.910 0.966 199 HD2 ARG 25 2HD ARG 25 12.703 -0.437 1.095 200 HD3 ARG 25 3HD ARG 25 12.110 -0.307 -0.560 201 HE ARG 25 HE ARG 25 14.348 1.321 0.469 202 HH11 ARG 25 1HH1 ARG 25 12.895 -0.586 -2.004 203 HH12 ARG 25 2HH1 ARG 25 14.253 -0.461 -3.062 204 HH21 ARG 25 1HH2 ARG 25 16.088 1.477 -0.883 205 HH22 ARG 25 2HH2 ARG 25 16.059 0.686 -2.421 206 H LYS 26 H LYS 26 8.987 3.207 -2.513 207 HA LYS 26 HA LYS 26 10.410 5.309 -3.792 208 HB2 LYS 26 2HB LYS 26 9.330 3.404 -4.974 209 HB3 LYS 26 3HB LYS 26 7.756 4.077 -4.573 210 HG2 LYS 26 2HG LYS 26 8.351 4.620 -6.857 211 HG3 LYS 26 3HG LYS 26 8.282 6.088 -5.879 212 HD2 LYS 26 2HD LYS 26 10.221 6.184 -7.318 213 HD3 LYS 26 3HD LYS 26 10.756 5.995 -5.647 214 HE2 LYS 26 2HE LYS 26 12.072 4.549 -7.049 215 HE3 LYS 26 3HE LYS 26 11.002 3.552 -6.066 216 HZ1 LYS 26 3HZ LYS 26 11.053 2.789 -8.351 217 HZ2 LYS 26 1HZ LYS 26 10.544 4.307 -8.900 218 HZ3 LYS 26 2HZ LYS 26 9.511 3.356 -7.962 219 H MET 27 H MET 27 7.477 5.245 -1.892 220 HA MET 27 HA MET 27 6.789 7.985 -2.730 221 HB2 MET 27 2HB MET 27 5.146 5.943 -1.215 222 HB3 MET 27 3HB MET 27 4.592 7.544 -1.687 223 HG2 MET 27 2HG MET 27 4.895 6.934 -4.050 224 HG3 MET 27 3HG MET 27 5.392 5.318 -3.554 225 HE1 MET 27 3HE MET 27 3.783 3.581 -2.344 226 HE2 MET 27 1HE MET 27 2.104 3.927 -1.929 227 HE3 MET 27 2HE MET 27 3.407 4.765 -1.092 228 H ASN 28 H ASN 28 6.108 9.532 -1.086 229 HA ASN 28 HA ASN 28 7.871 9.537 1.192 230 HB2 ASN 28 2HB ASN 28 5.693 11.514 0.467 231 HB3 ASN 28 3HB ASN 28 6.988 11.770 1.632 232 HD21 ASN 28 1HD2 ASN 28 7.775 13.553 0.546 233 HD22 ASN 28 2HD2 ASN 28 8.609 13.433 -0.961 234 H LEU 29 H LEU 29 7.235 7.929 2.591 235 HA LEU 29 HA LEU 29 4.511 7.425 3.276 236 HB2 LEU 29 2HB LEU 29 7.040 6.504 4.649 237 HB3 LEU 29 3HB LEU 29 5.437 5.841 4.903 238 HG LEU 29 HG LEU 29 7.018 5.702 2.328 239 HD11 LEU 29 1HD1 LEU 29 7.907 4.239 4.064 240 HD12 LEU 29 2HD1 LEU 29 7.134 3.307 2.781 241 HD13 LEU 29 3HD1 LEU 29 6.302 3.550 4.318 242 HD21 LEU 29 3HD2 LEU 29 5.206 4.223 1.548 243 HD22 LEU 29 1HD2 LEU 29 4.643 5.865 1.855 244 HD23 LEU 29 2HD2 LEU 29 4.298 4.583 3.017 245 H THR 30 H THR 30 3.419 7.785 5.210 246 HA THR 30 HA THR 30 4.071 10.210 6.616 247 HB THR 30 HB THR 30 1.722 9.559 6.112 248 HG1 THR 30 HG1 THR 30 1.643 10.982 7.723 249 HG21 THR 30 3HG2 THR 30 2.127 7.482 8.277 250 HG22 THR 30 1HG2 THR 30 1.919 7.142 6.556 251 HG23 THR 30 2HG2 THR 30 0.604 7.869 7.479 252 H ARG 31 H ARG 31 3.481 9.989 9.172 253 HA ARG 31 HA ARG 31 5.755 8.783 10.378 254 HB2 ARG 31 2HB ARG 31 4.760 9.565 12.498 255 HB3 ARG 31 3HB ARG 31 4.762 10.825 11.267 256 HG2 ARG 31 2HG ARG 31 2.405 10.441 10.822 257 HG3 ARG 31 3HG ARG 31 2.380 9.112 11.982 258 HD2 ARG 31 2HD ARG 31 1.443 11.087 12.999 259 HD3 ARG 31 3HD ARG 31 2.980 10.701 13.771 260 HE ARG 31 HE ARG 31 2.806 12.759 11.672 261 HH11 ARG 31 1HH1 ARG 31 3.756 11.758 14.820 262 HH12 ARG 31 2HH1 ARG 31 4.446 13.290 15.222 263 HH21 ARG 31 1HH2 ARG 31 3.721 14.716 12.191 264 HH22 ARG 31 2HH2 ARG 31 4.432 14.941 13.752 265 H GLY 32 H GLY 32 6.028 6.833 11.287 266 HA2 GLY 32 2HA GLY 32 5.624 4.685 12.003 267 HA3 GLY 32 3HA GLY 32 4.287 5.414 12.869 268 H ILE 33 H ILE 33 4.485 5.276 9.360 269 HA ILE 33 HA ILE 33 1.902 4.270 9.032 270 HB ILE 33 HB ILE 33 2.992 5.474 7.255 271 HG12 ILE 33 2HG1 ILE 33 2.483 2.620 6.363 272 HG13 ILE 33 3HG1 ILE 33 1.234 3.830 6.639 273 HG21 ILE 33 1HG2 ILE 33 4.827 4.511 5.936 274 HG22 ILE 33 2HG2 ILE 33 4.899 3.144 7.046 275 HG23 ILE 33 3HG2 ILE 33 5.285 4.767 7.618 276 HD11 ILE 33 3HD1 ILE 33 3.405 3.960 4.554 277 HD12 ILE 33 1HD1 ILE 33 2.180 5.198 4.841 278 HD13 ILE 33 2HD1 ILE 33 1.702 3.596 4.280 279 H ASN 34 H ASN 34 1.352 2.403 10.014 280 HA ASN 34 HA ASN 34 3.032 0.093 10.091 281 HB2 ASN 34 2HB ASN 34 1.363 0.621 11.860 282 HB3 ASN 34 3HB ASN 34 0.069 0.307 10.712 283 HD21 ASN 34 1HD2 ASN 34 0.556 -1.023 13.218 284 HD22 ASN 34 2HD2 ASN 34 0.789 -2.696 12.845 285 H LEU 35 H LEU 35 3.527 -0.584 8.035 286 HA LEU 35 HA LEU 35 1.576 -1.052 5.997 287 HB2 LEU 35 2HB LEU 35 4.417 -2.056 6.257 288 HB3 LEU 35 3HB LEU 35 3.431 -2.206 4.815 289 HG LEU 35 HG LEU 35 4.331 0.406 6.047 290 HD11 LEU 35 1HD1 LEU 35 5.775 0.595 4.083 291 HD12 LEU 35 2HD1 LEU 35 5.273 -1.012 3.553 292 HD13 LEU 35 3HD1 LEU 35 6.187 -0.820 5.050 293 HD21 LEU 35 3HD2 LEU 35 2.182 0.629 4.926 294 HD22 LEU 35 1HD2 LEU 35 2.828 -0.162 3.487 295 HD23 LEU 35 2HD2 LEU 35 3.450 1.413 3.983 296 H ARG 36 H ARG 36 2.612 -2.860 8.729 297 HA ARG 36 HA ARG 36 2.220 -5.494 7.742 298 HB2 ARG 36 2HB ARG 36 3.480 -4.875 9.842 299 HB3 ARG 36 3HB ARG 36 1.926 -4.583 10.612 300 HG2 ARG 36 2HG ARG 36 1.301 -6.933 10.186 301 HG3 ARG 36 3HG ARG 36 2.899 -7.209 9.489 302 HD2 ARG 36 2HD ARG 36 3.843 -6.394 11.708 303 HD3 ARG 36 3HD ARG 36 2.201 -6.528 12.339 304 HE ARG 36 HE ARG 36 3.004 -8.936 11.072 305 HH11 ARG 36 1HH1 ARG 36 3.364 -7.135 13.990 306 HH12 ARG 36 2HH1 ARG 36 3.847 -8.523 14.902 307 HH21 ARG 36 1HH2 ARG 36 3.590 -10.694 12.248 308 HH22 ARG 36 2HH2 ARG 36 3.945 -10.520 13.935 309 H LYS 37 H LYS 37 0.112 -3.404 9.757 310 HA LYS 37 HA LYS 37 -2.143 -5.020 9.859 311 HB2 LYS 37 2HB LYS 37 -1.722 -2.799 11.055 312 HB3 LYS 37 3HB LYS 37 -2.261 -2.005 9.583 313 HG2 LYS 37 2HG LYS 37 -4.026 -4.053 10.865 314 HG3 LYS 37 3HG LYS 37 -3.919 -2.444 11.572 315 HD2 LYS 37 2HD LYS 37 -4.558 -2.873 8.654 316 HD3 LYS 37 3HD LYS 37 -5.808 -2.875 9.896 317 HE2 LYS 37 2HE LYS 37 -4.955 -0.596 10.589 318 HE3 LYS 37 3HE LYS 37 -3.965 -0.614 9.129 319 HZ1 LYS 37 3HZ LYS 37 -6.044 -0.904 7.845 320 HZ2 LYS 37 1HZ LYS 37 -5.993 0.558 8.691 321 HZ3 LYS 37 2HZ LYS 37 -6.932 -0.724 9.269 322 H ILE 38 H ILE 38 -1.014 -2.942 7.266 323 HA ILE 38 HA ILE 38 -3.290 -3.138 5.584 324 HB ILE 38 HB ILE 38 -0.383 -2.737 4.816 325 HG12 ILE 38 2HG1 ILE 38 -1.107 -1.018 6.376 326 HG13 ILE 38 3HG1 ILE 38 -0.973 -0.322 4.766 327 HG21 ILE 38 1HG2 ILE 38 -1.703 -3.411 2.897 328 HG22 ILE 38 2HG2 ILE 38 -1.271 -1.708 2.763 329 HG23 ILE 38 3HG2 ILE 38 -2.903 -2.168 3.251 330 HD11 ILE 38 3HD1 ILE 38 -3.517 -1.128 6.163 331 HD12 ILE 38 1HD1 ILE 38 -3.415 -0.511 4.513 332 HD13 ILE 38 2HD1 ILE 38 -2.940 0.511 5.868 333 H ALA 39 H ALA 39 -0.225 -4.964 5.672 334 HA ALA 39 HA ALA 39 -0.830 -6.832 3.669 335 HB1 ALA 39 3HB ALA 39 1.428 -6.459 4.581 336 HB2 ALA 39 1HB ALA 39 0.979 -8.165 4.587 337 HB3 ALA 39 2HB ALA 39 0.937 -7.236 6.085 338 H GLU 40 H GLU 40 -1.729 -6.740 7.061 339 HA GLU 40 HA GLU 40 -2.689 -9.426 7.212 340 HB2 GLU 40 2HB GLU 40 -3.402 -7.032 8.927 341 HB3 GLU 40 3HB GLU 40 -3.774 -8.709 9.308 342 HG2 GLU 40 2HG GLU 40 -1.309 -9.170 9.282 343 HG3 GLU 40 3HG GLU 40 -1.052 -7.434 9.135 344 H LEU 41 H LEU 41 -3.954 -6.570 5.816 345 HA LEU 41 HA LEU 41 -6.696 -7.589 5.743 346 HB2 LEU 41 2HB LEU 41 -5.481 -5.080 4.572 347 HB3 LEU 41 3HB LEU 41 -7.185 -5.490 4.509 348 HG LEU 41 HG LEU 41 -5.596 -4.936 7.022 349 HD11 LEU 41 1HD1 LEU 41 -5.988 -2.923 5.703 350 HD12 LEU 41 2HD1 LEU 41 -6.945 -2.910 7.183 351 HD13 LEU 41 3HD1 LEU 41 -7.713 -3.288 5.640 352 HD21 LEU 41 3HD2 LEU 41 -8.544 -5.500 6.674 353 HD22 LEU 41 1HD2 LEU 41 -7.751 -5.035 8.179 354 HD23 LEU 41 2HD2 LEU 41 -7.363 -6.578 7.418 355 H MET 42 H MET 42 -4.012 -8.409 4.165 356 HA MET 42 HA MET 42 -5.354 -8.767 1.548 357 HB2 MET 42 2HB MET 42 -2.388 -8.425 2.068 358 HB3 MET 42 3HB MET 42 -3.144 -8.634 0.495 359 HG2 MET 42 2HG MET 42 -4.242 -6.504 0.671 360 HG3 MET 42 3HG MET 42 -3.693 -6.313 2.336 361 HE1 MET 42 3HE MET 42 -0.844 -6.280 -1.295 362 HE2 MET 42 1HE MET 42 -2.587 -6.515 -1.427 363 HE3 MET 42 2HE MET 42 -1.584 -7.752 -0.667 364 HA PRO 43 HA PRO 43 -4.185 -12.936 3.332 365 HB2 PRO 43 2HB PRO 43 -6.610 -14.116 3.301 366 HB3 PRO 43 3HB PRO 43 -6.100 -13.044 4.613 367 HG2 PRO 43 2HG PRO 43 -7.873 -12.455 2.269 368 HG3 PRO 43 3HG PRO 43 -8.060 -11.970 3.964 369 HD2 PRO 43 2HD PRO 43 -7.048 -10.327 2.004 370 HD3 PRO 43 3HD PRO 43 -6.659 -10.168 3.728 371 H GLY 44 H GLY 44 -3.005 -13.488 1.489 372 HA2 GLY 44 2HA GLY 44 -2.736 -15.151 -0.165 373 HA3 GLY 44 3HA GLY 44 -4.468 -15.134 -0.449 374 H ALA 45 H ALA 45 -3.155 -12.002 -0.345 375 HA ALA 45 HA ALA 45 -3.602 -11.569 -3.148 376 HB1 ALA 45 3HB ALA 45 -2.868 -9.270 -2.694 377 HB2 ALA 45 1HB ALA 45 -2.367 -9.749 -1.073 378 HB3 ALA 45 2HB ALA 45 -4.071 -9.811 -1.525 379 H SER 46 H SER 46 -2.213 -12.184 -4.688 380 HA SER 46 HA SER 46 0.500 -12.895 -4.083 381 HB2 SER 46 2HB SER 46 -0.919 -12.796 -6.752 382 HB3 SER 46 3HB SER 46 0.644 -13.556 -6.450 383 HG SER 46 HG SER 46 -0.976 -15.118 -6.366 384 H GLY 47 H GLY 47 2.266 -12.227 -5.735 385 HA2 GLY 47 2HA GLY 47 3.111 -9.692 -5.112 386 HA3 GLY 47 3HA GLY 47 3.699 -10.599 -6.491 387 H ALA 48 H ALA 48 1.393 -10.598 -8.101 388 HA ALA 48 HA ALA 48 1.596 -8.092 -9.370 389 HB1 ALA 48 3HB ALA 48 -0.580 -10.160 -9.699 390 HB2 ALA 48 1HB ALA 48 0.966 -10.152 -10.548 391 HB3 ALA 48 2HB ALA 48 -0.198 -8.857 -10.823 392 H GLU 49 H GLU 49 -0.782 -9.344 -7.073 393 HA GLU 49 HA GLU 49 -2.612 -7.168 -7.356 394 HB2 GLU 49 2HB GLU 49 -2.409 -8.912 -4.904 395 HB3 GLU 49 3HB GLU 49 -3.833 -8.135 -5.580 396 HG2 GLU 49 2HG GLU 49 -2.390 -10.575 -6.581 397 HG3 GLU 49 3HG GLU 49 -4.051 -10.442 -6.016 398 H VAL 50 H VAL 50 -0.058 -7.967 -5.029 399 HA VAL 50 HA VAL 50 -0.345 -5.828 -3.252 400 HB VAL 50 HB VAL 50 2.267 -7.124 -4.085 401 HG11 VAL 50 1HG1 VAL 50 1.499 -5.670 -1.549 402 HG12 VAL 50 2HG1 VAL 50 2.586 -5.075 -2.804 403 HG13 VAL 50 3HG1 VAL 50 3.038 -6.482 -1.843 404 HG21 VAL 50 3HG2 VAL 50 1.911 -8.673 -2.216 405 HG22 VAL 50 1HG2 VAL 50 0.626 -8.812 -3.418 406 HG23 VAL 50 2HG2 VAL 50 0.333 -7.947 -1.909 407 H LYS 51 H LYS 51 1.508 -6.037 -6.277 408 HA LYS 51 HA LYS 51 2.713 -3.516 -6.246 409 HB2 LYS 51 2HB LYS 51 3.134 -5.440 -7.853 410 HB3 LYS 51 3HB LYS 51 1.695 -4.935 -8.723 411 HG2 LYS 51 2HG LYS 51 3.944 -3.006 -8.239 412 HG3 LYS 51 3HG LYS 51 4.025 -4.173 -9.557 413 HD2 LYS 51 2HD LYS 51 1.789 -2.170 -9.167 414 HD3 LYS 51 3HD LYS 51 3.170 -1.934 -10.238 415 HE2 LYS 51 2HE LYS 51 2.503 -3.924 -11.521 416 HE3 LYS 51 3HE LYS 51 1.119 -4.145 -10.452 417 HZ1 LYS 51 3HZ LYS 51 0.571 -3.011 -12.554 418 HZ2 LYS 51 1HZ LYS 51 1.581 -1.730 -12.116 419 HZ3 LYS 51 2HZ LYS 51 0.208 -2.073 -11.197 420 H GLY 52 H GLY 52 -0.544 -4.481 -7.198 421 HA2 GLY 52 2HA GLY 52 -1.400 -2.017 -8.290 422 HA3 GLY 52 3HA GLY 52 -2.441 -3.263 -7.622 423 H VAL 53 H VAL 53 -1.530 -3.291 -4.981 424 HA VAL 53 HA VAL 53 -3.038 -1.256 -3.792 425 HB VAL 53 HB VAL 53 -0.842 -2.936 -2.552 426 HG11 VAL 53 1HG1 VAL 53 -1.322 -0.965 -1.179 427 HG12 VAL 53 2HG1 VAL 53 -1.903 -2.435 -0.398 428 HG13 VAL 53 3HG1 VAL 53 -3.042 -1.357 -1.203 429 HG21 VAL 53 3HG2 VAL 53 -3.836 -3.345 -2.674 430 HG22 VAL 53 1HG2 VAL 53 -2.710 -4.343 -1.750 431 HG23 VAL 53 2HG2 VAL 53 -2.610 -4.300 -3.511 432 H CYS 54 H CYS 54 0.533 -1.550 -3.952 433 HA CYS 54 HA CYS 54 1.106 0.878 -2.646 434 HB2 CYS 54 2HB CYS 54 3.362 0.677 -3.552 435 HB3 CYS 54 3HB CYS 54 2.789 -0.890 -2.993 436 HG CYS 54 HG CYS 54 3.654 0.096 -6.077 437 H THR 55 H THR 55 0.421 0.189 -6.028 438 HA THR 55 HA THR 55 1.151 2.746 -7.053 439 HB THR 55 HB THR 55 -0.791 0.717 -8.200 440 HG1 THR 55 HG1 THR 55 1.224 -0.208 -8.133 441 HG21 THR 55 3HG2 THR 55 0.587 3.067 -9.521 442 HG22 THR 55 1HG2 THR 55 -1.140 2.932 -9.186 443 HG23 THR 55 2HG2 THR 55 -0.379 1.846 -10.350 444 H GLU 56 H GLU 56 -2.050 1.368 -6.195 445 HA GLU 56 HA GLU 56 -3.533 3.711 -6.740 446 HB2 GLU 56 2HB GLU 56 -4.095 1.267 -5.083 447 HB3 GLU 56 3HB GLU 56 -5.223 2.615 -5.094 448 HG2 GLU 56 2HG GLU 56 -4.313 1.129 -7.555 449 HG3 GLU 56 3HG GLU 56 -5.803 0.796 -6.676 450 H ALA 57 H ALA 57 -1.996 2.572 -3.749 451 HA ALA 57 HA ALA 57 -2.991 4.367 -1.905 452 HB1 ALA 57 3HB ALA 57 -0.125 3.427 -2.074 453 HB2 ALA 57 1HB ALA 57 -1.457 2.519 -1.361 454 HB3 ALA 57 2HB ALA 57 -0.945 4.042 -0.638 455 H GLY 58 H GLY 58 -0.217 4.875 -4.089 456 HA2 GLY 58 2HA GLY 58 0.324 7.545 -3.353 457 HA3 GLY 58 3HA GLY 58 0.758 6.797 -4.881 458 H MET 59 H MET 59 -1.890 6.199 -5.782 459 HA MET 59 HA MET 59 -2.546 8.563 -7.137 460 HB2 MET 59 2HB MET 59 -4.334 6.175 -6.606 461 HB3 MET 59 3HB MET 59 -4.606 7.404 -7.836 462 HG2 MET 59 2HG MET 59 -2.316 5.448 -7.726 463 HG3 MET 59 3HG MET 59 -3.688 5.409 -8.832 464 HE1 MET 59 3HE MET 59 -4.091 7.211 -10.766 465 HE2 MET 59 1HE MET 59 -3.050 8.614 -11.018 466 HE3 MET 59 2HE MET 59 -4.036 8.498 -9.560 467 H TYR 60 H TYR 60 -4.017 7.136 -4.233 468 HA TYR 60 HA TYR 60 -6.132 8.960 -3.915 469 HB2 TYR 60 2HB TYR 60 -4.582 7.477 -1.772 470 HB3 TYR 60 3HB TYR 60 -6.142 8.261 -1.541 471 HD1 TYR 60 HD2 TYR 60 -7.830 7.473 -3.650 472 HD2 TYR 60 HD1 TYR 60 -4.770 5.181 -1.788 473 HE1 TYR 60 HE2 TYR 60 -8.978 5.404 -4.320 474 HE2 TYR 60 HE1 TYR 60 -5.908 3.112 -2.455 475 HH TYR 60 HH TYR 60 -8.243 2.393 -3.027 476 H ALA 61 H ALA 61 -2.815 9.054 -2.635 477 HA ALA 61 HA ALA 61 -3.051 11.525 -1.286 478 HB1 ALA 61 3HB ALA 61 -0.615 11.555 -1.260 479 HB2 ALA 61 1HB ALA 61 -0.569 10.282 -2.481 480 HB3 ALA 61 2HB ALA 61 -1.219 9.943 -0.876 481 H LEU 62 H LEU 62 -2.080 10.733 -4.605 482 HA LEU 62 HA LEU 62 -1.265 13.335 -5.357 483 HB2 LEU 62 2HB LEU 62 -2.181 10.996 -7.026 484 HB3 LEU 62 3HB LEU 62 -1.525 12.475 -7.704 485 HG LEU 62 HG LEU 62 -0.050 10.564 -5.879 486 HD11 LEU 62 1HD1 LEU 62 0.275 11.114 -8.830 487 HD12 LEU 62 2HD1 LEU 62 -0.392 9.648 -8.109 488 HD13 LEU 62 3HD1 LEU 62 1.303 10.064 -7.853 489 HD21 LEU 62 3HD2 LEU 62 0.674 12.875 -5.527 490 HD22 LEU 62 1HD2 LEU 62 0.924 13.073 -7.263 491 HD23 LEU 62 2HD2 LEU 62 1.924 11.943 -6.349 492 H ARG 63 H ARG 63 -4.422 11.696 -5.671 493 HA ARG 63 HA ARG 63 -5.601 13.783 -7.207 494 HB2 ARG 63 2HB ARG 63 -7.736 12.709 -6.785 495 HB3 ARG 63 3HB ARG 63 -6.520 11.506 -7.189 496 HG2 ARG 63 2HG ARG 63 -6.285 11.011 -4.766 497 HG3 ARG 63 3HG ARG 63 -7.613 12.130 -4.452 498 HD2 ARG 63 2HD ARG 63 -7.748 9.626 -6.140 499 HD3 ARG 63 3HD ARG 63 -8.418 9.830 -4.522 500 HE ARG 63 HE ARG 63 -9.918 11.535 -5.530 501 HH11 ARG 63 1HH1 ARG 63 -8.516 9.110 -7.550 502 HH12 ARG 63 2HH1 ARG 63 -9.790 9.200 -8.715 503 HH21 ARG 63 1HH2 ARG 63 -11.530 11.636 -7.028 504 HH22 ARG 63 2HH2 ARG 63 -11.473 10.623 -8.428 505 H GLU 64 H GLU 64 -5.134 13.355 -3.765 506 HA GLU 64 HA GLU 64 -6.680 15.765 -3.163 507 HB2 GLU 64 2HB GLU 64 -4.993 13.974 -1.398 508 HB3 GLU 64 3HB GLU 64 -5.879 15.379 -0.823 509 HG2 GLU 64 2HG GLU 64 -7.982 14.301 -1.608 510 HG3 GLU 64 3HG GLU 64 -7.041 12.862 -2.004 511 H ARG 65 H ARG 65 -3.674 15.084 -4.367 512 HA ARG 65 HA ARG 65 -1.764 16.209 -4.721 513 HB2 ARG 65 2HB ARG 65 -3.474 18.547 -3.872 514 HB3 ARG 65 3HB ARG 65 -1.807 18.738 -4.396 515 HG2 ARG 65 2HG ARG 65 -3.111 19.176 -6.302 516 HG3 ARG 65 3HG ARG 65 -2.483 17.547 -6.537 517 HD2 ARG 65 2HD ARG 65 -4.715 16.776 -5.481 518 HD3 ARG 65 3HD ARG 65 -5.269 18.412 -5.827 519 HE ARG 65 HE ARG 65 -4.219 16.647 -7.937 520 HH11 ARG 65 1HH1 ARG 65 -6.657 18.771 -6.741 521 HH12 ARG 65 2HH1 ARG 65 -7.614 18.649 -8.174 522 HH21 ARG 65 1HH2 ARG 65 -5.460 16.479 -9.748 523 HH22 ARG 65 2HH2 ARG 65 -6.942 17.361 -9.862 524 H ARG 66 H ARG 66 -2.313 15.014 -2.065 525 HA ARG 66 HA ARG 66 -0.738 16.534 -0.193 526 HB2 ARG 66 2HB ARG 66 -1.773 13.698 -0.214 527 HB3 ARG 66 3HB ARG 66 -0.705 14.285 1.054 528 HG2 ARG 66 2HG ARG 66 -2.347 16.015 1.635 529 HG3 ARG 66 3HG ARG 66 -3.422 15.410 0.372 530 HD2 ARG 66 2HD ARG 66 -2.424 13.698 2.652 531 HD3 ARG 66 3HD ARG 66 -3.925 14.620 2.728 532 HE ARG 66 HE ARG 66 -4.730 13.277 0.860 533 HH11 ARG 66 1HH1 ARG 66 -1.960 12.023 2.518 534 HH12 ARG 66 2HH1 ARG 66 -2.341 10.388 2.094 535 HH21 ARG 66 1HH2 ARG 66 -5.156 11.207 0.327 536 HH22 ARG 66 2HH2 ARG 66 -4.120 9.932 0.879 537 H VAL 67 H VAL 67 1.336 15.869 0.645 538 HA VAL 67 HA VAL 67 3.099 14.793 -1.429 539 HB VAL 67 HB VAL 67 3.818 16.085 1.217 540 HG11 VAL 67 1HG1 VAL 67 6.065 16.332 0.236 541 HG12 VAL 67 2HG1 VAL 67 5.535 15.435 -1.187 542 HG13 VAL 67 3HG1 VAL 67 5.598 14.637 0.384 543 HG21 VAL 67 3HG2 VAL 67 4.345 18.088 -0.110 544 HG22 VAL 67 1HG2 VAL 67 2.640 17.653 -0.244 545 HG23 VAL 67 2HG2 VAL 67 3.751 17.279 -1.562 546 H HIS 68 H HIS 68 1.937 14.049 1.802 547 HA HIS 68 HA HIS 68 3.725 11.721 1.971 548 HB2 HIS 68 2HB HIS 68 2.028 13.066 4.084 549 HB3 HIS 68 3HB HIS 68 3.022 11.638 4.359 550 HD1 HIS 68 HD1 HIS 68 3.141 15.263 4.427 551 HD2 HIS 68 HD2 HIS 68 5.881 12.177 3.922 552 HE1 HIS 68 HE1 HIS 68 5.398 16.289 4.831 553 HE2 HIS 68 HE2 HIS 68 7.019 14.374 4.667 554 H VAL 69 H VAL 69 2.990 9.765 1.513 555 HA VAL 69 HA VAL 69 0.158 9.192 1.276 556 HB VAL 69 HB VAL 69 2.514 7.303 0.990 557 HG11 VAL 69 1HG1 VAL 69 -0.356 7.019 0.083 558 HG12 VAL 69 2HG1 VAL 69 0.407 6.141 1.409 559 HG13 VAL 69 3HG1 VAL 69 0.949 5.878 -0.248 560 HG21 VAL 69 3HG2 VAL 69 2.687 9.125 -0.615 561 HG22 VAL 69 1HG2 VAL 69 1.019 8.863 -1.123 562 HG23 VAL 69 2HG2 VAL 69 2.240 7.630 -1.438 563 H THR 70 H THR 70 -1.080 8.096 2.737 564 HA THR 70 HA THR 70 0.188 7.570 5.351 565 HB THR 70 HB THR 70 -1.931 7.960 6.386 566 HG1 THR 70 HG1 THR 70 -3.217 8.403 3.909 567 HG21 THR 70 3HG2 THR 70 -0.727 10.001 5.698 568 HG22 THR 70 1HG2 THR 70 -2.476 10.240 5.677 569 HG23 THR 70 2HG2 THR 70 -1.601 9.995 4.166 570 H GLN 71 H GLN 71 -0.769 5.822 6.684 571 HA GLN 71 HA GLN 71 -0.938 3.312 5.444 572 HB2 GLN 71 2HB GLN 71 -0.437 3.606 7.835 573 HB3 GLN 71 3HB GLN 71 -2.067 4.205 8.114 574 HG2 GLN 71 2HG GLN 71 -2.945 1.991 7.390 575 HG3 GLN 71 3HG GLN 71 -1.282 1.416 7.277 576 HE21 GLN 71 1HE2 GLN 71 -1.559 -0.138 8.865 577 HE22 GLN 71 2HE2 GLN 71 -1.763 0.263 10.535 578 H GLU 72 H GLU 72 -3.362 5.713 6.179 579 HA GLU 72 HA GLU 72 -5.696 4.185 5.816 580 HB2 GLU 72 2HB GLU 72 -5.323 7.144 5.291 581 HB3 GLU 72 3HB GLU 72 -6.840 6.322 5.644 582 HG2 GLU 72 2HG GLU 72 -6.056 5.788 7.886 583 HG3 GLU 72 3HG GLU 72 -4.499 6.537 7.540 584 H ASP 73 H ASP 73 -3.718 6.056 3.538 585 HA ASP 73 HA ASP 73 -5.348 5.686 1.260 586 HB2 ASP 73 2HB ASP 73 -2.357 6.133 1.467 587 HB3 ASP 73 3HB ASP 73 -3.275 6.219 -0.034 588 H PHE 74 H PHE 74 -2.682 3.738 2.597 589 HA PHE 74 HA PHE 74 -2.544 1.831 0.534 590 HB2 PHE 74 2HB PHE 74 -1.751 1.821 3.425 591 HB3 PHE 74 3HB PHE 74 -1.705 0.313 2.516 592 HD1 PHE 74 HD1 PHE 74 -0.289 3.710 2.764 593 HD2 PHE 74 HD2 PHE 74 -0.021 -0.100 0.880 594 HE1 PHE 74 HE1 PHE 74 1.923 4.308 1.868 595 HE2 PHE 74 HE2 PHE 74 2.190 0.494 -0.018 596 HZ PHE 74 HZ PHE 74 3.165 2.701 0.476 597 H GLU 75 H GLU 75 -4.431 1.689 3.594 598 HA GLU 75 HA GLU 75 -5.620 -0.813 2.980 599 HB2 GLU 75 2HB GLU 75 -7.247 -0.294 4.764 600 HB3 GLU 75 3HB GLU 75 -5.580 -0.063 5.263 601 HG2 GLU 75 2HG GLU 75 -5.835 2.362 4.943 602 HG3 GLU 75 3HG GLU 75 -7.524 2.110 4.496 603 H MET 76 H MET 76 -6.593 2.505 2.232 604 HA MET 76 HA MET 76 -9.078 1.918 1.038 605 HB2 MET 76 2HB MET 76 -7.050 4.093 0.551 606 HB3 MET 76 3HB MET 76 -8.518 3.987 -0.412 607 HG2 MET 76 2HG MET 76 -8.395 4.288 2.584 608 HG3 MET 76 3HG MET 76 -8.758 5.569 1.429 609 HE1 MET 76 3HE MET 76 -12.148 4.222 -0.115 610 HE2 MET 76 1HE MET 76 -10.522 3.870 -0.700 611 HE3 MET 76 2HE MET 76 -10.940 5.506 -0.183 612 H ALA 77 H ALA 77 -5.787 1.665 -0.197 613 HA ALA 77 HA ALA 77 -6.518 0.917 -2.851 614 HB1 ALA 77 3HB ALA 77 -4.193 0.230 -3.095 615 HB2 ALA 77 1HB ALA 77 -3.961 0.358 -1.350 616 HB3 ALA 77 2HB ALA 77 -4.303 1.802 -2.302 617 H VAL 78 H VAL 78 -5.871 -0.900 0.122 618 HA VAL 78 HA VAL 78 -6.032 -3.502 -0.931 619 HB VAL 78 HB VAL 78 -6.880 -2.530 1.810 620 HG11 VAL 78 1HG1 VAL 78 -7.860 -4.699 1.364 621 HG12 VAL 78 2HG1 VAL 78 -6.536 -4.876 2.515 622 HG13 VAL 78 3HG1 VAL 78 -6.302 -5.328 0.826 623 HG21 VAL 78 3HG2 VAL 78 -4.657 -3.301 2.527 624 HG22 VAL 78 1HG2 VAL 78 -4.542 -2.027 1.311 625 HG23 VAL 78 2HG2 VAL 78 -4.262 -3.707 0.856 626 H ALA 79 H ALA 79 -8.603 -1.399 0.385 627 HA ALA 79 HA ALA 79 -10.785 -3.106 -0.121 628 HB1 ALA 79 3HB ALA 79 -12.178 -1.108 0.022 629 HB2 ALA 79 1HB ALA 79 -10.753 -0.081 -0.159 630 HB3 ALA 79 2HB ALA 79 -10.939 -1.088 1.277 631 H LYS 80 H LYS 80 -9.062 -0.851 -2.191 632 HA LYS 80 HA LYS 80 -10.785 -0.905 -4.425 633 HB2 LYS 80 2HB LYS 80 -9.085 0.810 -4.161 634 HB3 LYS 80 3HB LYS 80 -7.810 -0.396 -4.201 635 HG2 LYS 80 2HG LYS 80 -7.870 0.748 -6.305 636 HG3 LYS 80 3HG LYS 80 -8.412 -0.912 -6.544 637 HD2 LYS 80 2HD LYS 80 -9.790 0.683 -7.798 638 HD3 LYS 80 3HD LYS 80 -10.734 -0.175 -6.579 639 HE2 LYS 80 2HE LYS 80 -11.232 2.264 -6.718 640 HE3 LYS 80 3HE LYS 80 -10.701 1.736 -5.121 641 HZ1 LYS 80 3HZ LYS 80 -8.817 2.892 -7.092 642 HZ2 LYS 80 1HZ LYS 80 -8.614 2.718 -5.426 643 HZ3 LYS 80 2HZ LYS 80 -9.704 3.862 -6.025 644 H VAL 81 H VAL 81 -8.025 -2.962 -3.528 645 HA VAL 81 HA VAL 81 -8.240 -4.470 -6.016 646 HB VAL 81 HB VAL 81 -6.312 -4.815 -3.709 647 HG11 VAL 81 1HG1 VAL 81 -6.575 -6.887 -4.961 648 HG12 VAL 81 2HG1 VAL 81 -4.992 -6.176 -5.277 649 HG13 VAL 81 3HG1 VAL 81 -6.279 -6.031 -6.475 650 HG21 VAL 81 3HG2 VAL 81 -6.040 -2.653 -4.823 651 HG22 VAL 81 1HG2 VAL 81 -5.920 -3.464 -6.386 652 HG23 VAL 81 2HG2 VAL 81 -4.672 -3.714 -5.164 653 H MET 82 H MET 82 -8.139 -5.388 -2.540 654 HA MET 82 HA MET 82 -8.915 -8.072 -3.034 655 HB2 MET 82 2HB MET 82 -8.996 -6.485 -0.455 656 HB3 MET 82 3HB MET 82 -9.184 -8.230 -0.572 657 HG2 MET 82 2HG MET 82 -6.728 -6.670 -1.361 658 HG3 MET 82 3HG MET 82 -6.931 -7.601 0.123 659 HE1 MET 82 3HE MET 82 -7.130 -10.259 0.194 660 HE2 MET 82 1HE MET 82 -7.159 -11.273 -1.249 661 HE3 MET 82 2HE MET 82 -8.502 -10.181 -0.913 662 H GLN 83 H GLN 83 -10.763 -5.176 -2.217 663 HA GLN 83 HA GLN 83 -13.005 -4.746 -2.104 664 HB2 GLN 83 2HB GLN 83 -13.002 -6.940 -4.191 665 HB3 GLN 83 3HB GLN 83 -14.342 -5.834 -3.902 666 HG2 GLN 83 2HG GLN 83 -13.098 -3.971 -4.653 667 HG3 GLN 83 3HG GLN 83 -11.583 -4.869 -4.611 668 HE21 GLN 83 1HE2 GLN 83 -11.118 -6.315 -6.260 669 HE22 GLN 83 2HE2 GLN 83 -11.972 -6.305 -7.762 670 H LYS 84 H LYS 84 -12.042 -6.723 -0.185 671 HA LYS 84 HA LYS 84 -13.863 -8.882 0.090 672 HB2 LYS 84 2HB LYS 84 -11.649 -8.935 1.091 673 HB3 LYS 84 3HB LYS 84 -12.030 -7.542 2.091 674 HG2 LYS 84 2HG LYS 84 -12.110 -9.547 3.420 675 HG3 LYS 84 3HG LYS 84 -13.738 -8.883 3.267 676 HD2 LYS 84 2HD LYS 84 -14.255 -10.524 1.528 677 HD3 LYS 84 3HD LYS 84 -12.612 -11.166 1.629 678 HE2 LYS 84 2HE LYS 84 -14.140 -12.588 2.866 679 HE3 LYS 84 3HE LYS 84 -13.023 -11.797 3.975 680 HZ1 LYS 84 3HZ LYS 84 -15.288 -11.782 4.811 681 HZ2 LYS 84 1HZ LYS 84 -15.818 -10.939 3.446 682 HZ3 LYS 84 2HZ LYS 84 -14.748 -10.205 4.535 683 H ASP 85 H ASP 85 -15.803 -9.050 1.152 684 HA ASP 85 HA ASP 85 -17.015 -6.650 2.265 685 HB2 ASP 85 2HB ASP 85 -18.110 -9.463 1.984 686 HB3 ASP 85 3HB ASP 85 -19.031 -8.072 2.549 687 H SER 86 H SER 86 -16.194 -6.129 4.203 688 HA SER 86 HA SER 86 -16.853 -7.741 6.490 689 HB2 SER 86 2HB SER 86 -13.932 -7.320 5.793 690 HB3 SER 86 3HB SER 86 -14.483 -7.752 7.408 691 HG SER 86 HG SER 86 -15.406 -9.644 6.507 Start of MODEL 14 1 H1 MET 1 1H MET 1 4.270 -37.955 -16.388 2 H2 MET 1 2H MET 1 2.762 -38.655 -16.685 3 H3 MET 1 3H MET 1 3.698 -39.190 -15.385 4 HA MET 1 HA MET 1 2.497 -36.495 -15.679 5 HB2 MET 1 2HB MET 1 1.801 -38.782 -13.815 6 HB3 MET 1 3HB MET 1 1.088 -37.177 -13.753 7 HG2 MET 1 2HG MET 1 0.169 -37.520 -16.014 8 HG3 MET 1 3HG MET 1 0.847 -39.149 -16.022 9 HE1 MET 1 3HE MET 1 -2.256 -38.503 -16.569 10 HE2 MET 1 1HE MET 1 -3.000 -39.811 -15.649 11 HE3 MET 1 2HE MET 1 -1.553 -40.121 -16.606 12 H GLY 2 H GLY 2 3.102 -34.963 -14.180 13 HA2 GLY 2 2HA GLY 2 4.006 -34.204 -12.138 14 HA3 GLY 2 3HA GLY 2 4.777 -35.761 -11.914 15 H HIS 3 H HIS 3 4.959 -33.465 -14.660 16 HA HIS 3 HA HIS 3 7.826 -33.099 -14.020 17 HB2 HIS 3 2HB HIS 3 6.536 -33.545 -16.709 18 HB3 HIS 3 3HB HIS 3 8.112 -32.776 -16.564 19 HD1 HIS 3 HD1 HIS 3 10.093 -34.254 -15.811 20 HD2 HIS 3 HD2 HIS 3 6.506 -36.312 -16.208 21 HE1 HIS 3 HE1 HIS 3 10.707 -36.687 -15.770 22 HE2 HIS 3 HE2 HIS 3 8.518 -37.912 -15.908 23 H HIS 4 H HIS 4 5.042 -31.533 -13.872 24 HA HIS 4 HA HIS 4 6.285 -28.932 -14.542 25 HB2 HIS 4 2HB HIS 4 3.336 -29.644 -14.544 26 HB3 HIS 4 3HB HIS 4 3.995 -28.038 -14.848 27 HD1 HIS 4 HD1 HIS 4 3.037 -31.100 -16.544 28 HD2 HIS 4 HD2 HIS 4 5.671 -27.972 -17.273 29 HE1 HIS 4 HE1 HIS 4 3.590 -31.241 -18.986 30 HE2 HIS 4 HE2 HIS 4 5.301 -29.443 -19.368 31 H HIS 5 H HIS 5 6.881 -27.876 -12.736 32 HA HIS 5 HA HIS 5 5.742 -28.716 -10.174 33 HB2 HIS 5 2HB HIS 5 8.199 -27.066 -10.812 34 HB3 HIS 5 3HB HIS 5 7.684 -27.509 -9.185 35 HD1 HIS 5 HD1 HIS 5 7.831 -30.058 -8.558 36 HD2 HIS 5 HD2 HIS 5 9.529 -29.053 -12.217 37 HE1 HIS 5 HE1 HIS 5 9.234 -32.032 -9.216 38 HE2 HIS 5 HE2 HIS 5 10.154 -31.452 -11.480 39 H HIS 6 H HIS 6 3.881 -27.663 -9.822 40 HA HIS 6 HA HIS 6 4.093 -24.798 -9.221 41 HB2 HIS 6 2HB HIS 6 1.856 -26.041 -10.857 42 HB3 HIS 6 3HB HIS 6 1.784 -24.430 -10.151 43 HD1 HIS 6 HD1 HIS 6 2.983 -22.557 -11.380 44 HD2 HIS 6 HD2 HIS 6 3.669 -26.307 -13.039 45 HE1 HIS 6 HE1 HIS 6 4.143 -22.125 -13.569 46 HE2 HIS 6 HE2 HIS 6 4.500 -24.401 -14.573 47 H HIS 7 H HIS 7 2.271 -24.085 -7.746 48 HA HIS 7 HA HIS 7 0.702 -26.173 -6.514 49 HB2 HIS 7 2HB HIS 7 2.896 -26.360 -5.344 50 HB3 HIS 7 3HB HIS 7 2.718 -24.694 -4.803 51 HD1 HIS 7 HD1 HIS 7 1.635 -24.423 -2.581 52 HD2 HIS 7 HD2 HIS 7 0.660 -28.057 -4.346 53 HE1 HIS 7 HE1 HIS 7 0.258 -25.650 -0.881 54 HE2 HIS 7 HE2 HIS 7 -0.407 -27.796 -2.004 55 H HIS 8 H HIS 8 -1.075 -25.419 -5.395 56 HA HIS 8 HA HIS 8 -1.725 -22.605 -5.766 57 HB2 HIS 8 2HB HIS 8 -3.434 -24.795 -4.559 58 HB3 HIS 8 3HB HIS 8 -3.982 -23.236 -5.163 59 HD1 HIS 8 HD1 HIS 8 -3.734 -26.665 -6.133 60 HD2 HIS 8 HD2 HIS 8 -3.437 -23.029 -8.119 61 HE1 HIS 8 HE1 HIS 8 -4.053 -27.201 -8.559 62 HE2 HIS 8 HE2 HIS 8 -3.692 -25.020 -9.751 63 H SER 9 H SER 9 -0.691 -21.350 -4.265 64 HA SER 9 HA SER 9 -1.384 -21.781 -1.439 65 HB2 SER 9 2HB SER 9 1.427 -21.392 -2.492 66 HB3 SER 9 3HB SER 9 0.988 -21.132 -0.805 67 HG SER 9 HG SER 9 1.585 -23.182 -0.786 68 H HIS 10 H HIS 10 -0.740 -19.859 -0.079 69 HA HIS 10 HA HIS 10 -1.082 -17.346 -1.586 70 HB2 HIS 10 2HB HIS 10 -1.903 -16.360 0.503 71 HB3 HIS 10 3HB HIS 10 -2.843 -17.779 0.074 72 HD1 HIS 10 HD1 HIS 10 -3.074 -19.542 1.826 73 HD2 HIS 10 HD2 HIS 10 -0.052 -16.834 2.722 74 HE1 HIS 10 HE1 HIS 10 -2.349 -20.097 4.159 75 HE2 HIS 10 HE2 HIS 10 -0.676 -18.320 4.751 76 HA PRO 11 HA PRO 11 3.080 -16.013 -0.574 77 HB2 PRO 11 2HB PRO 11 1.806 -13.345 -0.144 78 HB3 PRO 11 3HB PRO 11 3.175 -13.787 -1.170 79 HG2 PRO 11 2HG PRO 11 0.798 -13.276 -2.249 80 HG3 PRO 11 3HG PRO 11 1.810 -14.594 -2.872 81 HD2 PRO 11 2HD PRO 11 -0.607 -14.735 -1.100 82 HD3 PRO 11 3HD PRO 11 -0.124 -15.803 -2.436 83 H ASN 12 H ASN 12 4.229 -15.966 1.312 84 HA ASN 12 HA ASN 12 2.955 -16.168 3.816 85 HB2 ASN 12 2HB ASN 12 5.213 -17.090 3.340 86 HB3 ASN 12 3HB ASN 12 5.855 -15.450 3.271 87 HD21 ASN 12 1HD2 ASN 12 7.256 -15.772 4.990 88 HD22 ASN 12 2HD2 ASN 12 6.703 -15.948 6.619 89 H GLU 13 H GLU 13 2.808 -14.701 5.581 90 HA GLU 13 HA GLU 13 2.032 -12.107 4.896 91 HB2 GLU 13 2HB GLU 13 1.238 -13.274 6.908 92 HB3 GLU 13 3HB GLU 13 2.835 -13.123 7.632 93 HG2 GLU 13 2HG GLU 13 2.633 -10.779 7.836 94 HG3 GLU 13 3HG GLU 13 1.236 -10.732 6.762 95 H GLU 14 H GLU 14 5.084 -13.195 6.382 96 HA GLU 14 HA GLU 14 6.345 -10.706 6.579 97 HB2 GLU 14 2HB GLU 14 7.580 -13.405 5.975 98 HB3 GLU 14 3HB GLU 14 8.471 -11.982 6.494 99 HG2 GLU 14 2HG GLU 14 6.360 -13.421 8.093 100 HG3 GLU 14 3HG GLU 14 8.101 -13.551 8.326 101 H ALA 15 H ALA 15 6.014 -12.890 3.820 102 HA ALA 15 HA ALA 15 7.903 -11.607 2.127 103 HB1 ALA 15 3HB ALA 15 7.218 -13.929 1.797 104 HB2 ALA 15 1HB ALA 15 6.937 -12.971 0.343 105 HB3 ALA 15 2HB ALA 15 5.585 -13.399 1.392 106 H ARG 16 H ARG 16 4.310 -11.461 2.188 107 HA ARG 16 HA ARG 16 4.076 -9.550 0.130 108 HB2 ARG 16 2HB ARG 16 1.791 -9.146 0.977 109 HB3 ARG 16 3HB ARG 16 2.153 -10.859 0.830 110 HG2 ARG 16 2HG ARG 16 2.539 -10.972 3.256 111 HG3 ARG 16 3HG ARG 16 2.139 -9.258 3.387 112 HD2 ARG 16 2HD ARG 16 -0.113 -9.701 2.562 113 HD3 ARG 16 3HD ARG 16 0.280 -11.408 2.354 114 HE ARG 16 HE ARG 16 0.744 -10.679 5.023 115 HH11 ARG 16 1HH1 ARG 16 -1.894 -11.072 2.847 116 HH12 ARG 16 2HH1 ARG 16 -2.991 -11.559 4.088 117 HH21 ARG 16 1HH2 ARG 16 -0.685 -11.352 6.620 118 HH22 ARG 16 2HH2 ARG 16 -2.305 -11.759 6.174 119 H LEU 17 H LEU 17 4.594 -9.180 3.595 120 HA LEU 17 HA LEU 17 4.385 -6.347 3.681 121 HB2 LEU 17 2HB LEU 17 4.268 -7.711 5.698 122 HB3 LEU 17 3HB LEU 17 5.908 -8.277 5.446 123 HG LEU 17 HG LEU 17 6.780 -6.028 5.866 124 HD11 LEU 17 1HD1 LEU 17 3.901 -5.248 6.316 125 HD12 LEU 17 2HD1 LEU 17 4.940 -4.703 4.999 126 HD13 LEU 17 3HD1 LEU 17 5.305 -4.239 6.660 127 HD21 LEU 17 3HD2 LEU 17 6.513 -7.542 7.757 128 HD22 LEU 17 1HD2 LEU 17 4.867 -6.960 8.008 129 HD23 LEU 17 2HD2 LEU 17 6.235 -5.871 8.247 130 H ASP 18 H ASP 18 7.049 -8.558 3.024 131 HA ASP 18 HA ASP 18 9.174 -6.732 2.981 132 HB2 ASP 18 2HB ASP 18 9.338 -9.244 2.953 133 HB3 ASP 18 3HB ASP 18 8.866 -9.205 1.259 134 H ILE 19 H ILE 19 7.069 -7.865 0.336 135 HA ILE 19 HA ILE 19 8.094 -6.377 -1.783 136 HB ILE 19 HB ILE 19 5.157 -6.966 -1.324 137 HG12 ILE 19 2HG1 ILE 19 7.177 -8.754 -2.713 138 HG13 ILE 19 3HG1 ILE 19 6.636 -8.992 -1.053 139 HG21 ILE 19 1HG2 ILE 19 5.567 -5.443 -3.172 140 HG22 ILE 19 2HG2 ILE 19 5.025 -7.007 -3.779 141 HG23 ILE 19 3HG2 ILE 19 6.732 -6.567 -3.873 142 HD11 ILE 19 3HD1 ILE 19 4.325 -9.241 -1.876 143 HD12 ILE 19 1HD1 ILE 19 5.425 -10.460 -2.519 144 HD13 ILE 19 2HD1 ILE 19 4.926 -9.104 -3.530 145 H LEU 20 H LEU 20 5.557 -5.485 0.545 146 HA LEU 20 HA LEU 20 4.949 -2.943 -0.455 147 HB2 LEU 20 2HB LEU 20 4.802 -4.041 2.354 148 HB3 LEU 20 3HB LEU 20 4.135 -2.486 1.885 149 HG LEU 20 HG LEU 20 3.293 -5.097 0.612 150 HD11 LEU 20 1HD1 LEU 20 2.735 -5.161 2.980 151 HD12 LEU 20 2HD1 LEU 20 1.285 -4.980 1.994 152 HD13 LEU 20 3HD1 LEU 20 1.948 -3.587 2.853 153 HD21 LEU 20 3HD2 LEU 20 2.902 -3.088 -0.738 154 HD22 LEU 20 1HD2 LEU 20 2.024 -2.354 0.605 155 HD23 LEU 20 2HD2 LEU 20 1.387 -3.798 -0.184 156 H LYS 21 H LYS 21 7.352 -3.888 2.019 157 HA LYS 21 HA LYS 21 8.337 -1.331 2.583 158 HB2 LYS 21 2HB LYS 21 9.702 -4.025 2.630 159 HB3 LYS 21 3HB LYS 21 10.493 -2.549 3.174 160 HG2 LYS 21 2HG LYS 21 8.754 -2.235 4.870 161 HG3 LYS 21 3HG LYS 21 7.951 -3.708 4.321 162 HD2 LYS 21 2HD LYS 21 9.838 -5.051 4.997 163 HD3 LYS 21 3HD LYS 21 10.782 -3.610 5.381 164 HE2 LYS 21 2HE LYS 21 8.225 -4.433 6.766 165 HE3 LYS 21 3HE LYS 21 9.849 -4.718 7.389 166 HZ1 LYS 21 3HZ LYS 21 8.813 -2.744 8.357 167 HZ2 LYS 21 1HZ LYS 21 8.685 -2.044 6.826 168 HZ3 LYS 21 2HZ LYS 21 10.207 -2.343 7.490 169 H ILE 22 H ILE 22 9.184 -3.550 -0.054 170 HA ILE 22 HA ILE 22 11.314 -2.030 -1.131 171 HB ILE 22 HB ILE 22 9.407 -3.895 -2.572 172 HG12 ILE 22 2HG1 ILE 22 12.158 -4.414 -1.401 173 HG13 ILE 22 3HG1 ILE 22 10.637 -4.946 -0.695 174 HG21 ILE 22 1HG2 ILE 22 12.108 -2.838 -3.430 175 HG22 ILE 22 2HG2 ILE 22 10.549 -2.437 -4.155 176 HG23 ILE 22 3HG2 ILE 22 11.181 -4.080 -4.273 177 HD11 ILE 22 3HD1 ILE 22 11.721 -6.765 -1.848 178 HD12 ILE 22 1HD1 ILE 22 11.778 -5.825 -3.340 179 HD13 ILE 22 2HD1 ILE 22 10.225 -6.335 -2.677 180 H HIS 23 H HIS 23 7.885 -2.177 -2.174 181 HA HIS 23 HA HIS 23 8.076 -0.162 -4.133 182 HB2 HIS 23 2HB HIS 23 5.736 -1.288 -2.604 183 HB3 HIS 23 3HB HIS 23 5.527 -0.003 -3.789 184 HD1 HIS 23 HD1 HIS 23 5.483 -0.658 -6.215 185 HD2 HIS 23 HD2 HIS 23 6.664 -3.779 -3.740 186 HE1 HIS 23 HE1 HIS 23 5.532 -2.692 -7.676 187 HE2 HIS 23 HE2 HIS 23 6.408 -4.528 -6.203 188 H SER 24 H SER 24 7.364 0.068 -0.687 189 HA SER 24 HA SER 24 6.367 2.689 -0.615 190 HB2 SER 24 2HB SER 24 6.846 2.670 1.759 191 HB3 SER 24 3HB SER 24 6.268 1.074 1.288 192 HG SER 24 HG SER 24 8.401 0.337 1.316 193 H ARG 25 H ARG 25 9.610 1.581 -1.085 194 HA ARG 25 HA ARG 25 11.057 3.793 -0.116 195 HB2 ARG 25 2HB ARG 25 11.738 1.884 -2.362 196 HB3 ARG 25 3HB ARG 25 12.869 3.016 -1.634 197 HG2 ARG 25 2HG ARG 25 12.573 1.884 0.536 198 HG3 ARG 25 3HG ARG 25 11.498 0.719 -0.240 199 HD2 ARG 25 2HD ARG 25 13.750 -0.194 -0.015 200 HD3 ARG 25 3HD ARG 25 13.326 0.014 -1.713 201 HE ARG 25 HE ARG 25 14.638 2.320 -1.031 202 HH11 ARG 25 1HH1 ARG 25 15.422 -1.045 -0.992 203 HH12 ARG 25 2HH1 ARG 25 17.112 -0.751 -1.190 204 HH21 ARG 25 1HH2 ARG 25 16.812 2.652 -1.311 205 HH22 ARG 25 2HH2 ARG 25 17.889 1.298 -1.371 206 H LYS 26 H LYS 26 9.123 3.461 -2.971 207 HA LYS 26 HA LYS 26 10.318 5.775 -4.291 208 HB2 LYS 26 2HB LYS 26 7.993 3.988 -5.037 209 HB3 LYS 26 3HB LYS 26 8.487 5.378 -5.993 210 HG2 LYS 26 2HG LYS 26 10.155 2.931 -5.414 211 HG3 LYS 26 3HG LYS 26 9.354 3.322 -6.937 212 HD2 LYS 26 2HD LYS 26 10.738 5.448 -6.970 213 HD3 LYS 26 3HD LYS 26 11.662 4.762 -5.632 214 HE2 LYS 26 2HE LYS 26 11.358 3.616 -8.408 215 HE3 LYS 26 3HE LYS 26 12.810 4.332 -7.712 216 HZ1 LYS 26 3HZ LYS 26 12.992 1.971 -7.639 217 HZ2 LYS 26 1HZ LYS 26 11.492 1.806 -6.877 218 HZ3 LYS 26 2HZ LYS 26 12.784 2.518 -6.056 219 H MET 27 H MET 27 8.091 5.373 -1.829 220 HA MET 27 HA MET 27 6.547 7.772 -2.617 221 HB2 MET 27 2HB MET 27 5.602 5.376 -1.024 222 HB3 MET 27 3HB MET 27 4.634 6.795 -1.408 223 HG2 MET 27 2HG MET 27 4.634 6.274 -3.726 224 HG3 MET 27 3HG MET 27 5.856 5.023 -3.510 225 HE1 MET 27 3HE MET 27 2.152 6.074 -2.644 226 HE2 MET 27 1HE MET 27 2.848 5.637 -1.085 227 HE3 MET 27 2HE MET 27 1.588 4.632 -1.802 228 H ASN 28 H ASN 28 6.203 9.367 -1.106 229 HA ASN 28 HA ASN 28 7.854 9.512 1.212 230 HB2 ASN 28 2HB ASN 28 5.475 11.206 0.395 231 HB3 ASN 28 3HB ASN 28 6.571 11.591 1.717 232 HD21 ASN 28 1HD2 ASN 28 5.932 12.982 -0.818 233 HD22 ASN 28 2HD2 ASN 28 7.461 13.248 -1.580 234 H LEU 29 H LEU 29 7.464 8.020 2.797 235 HA LEU 29 HA LEU 29 4.788 7.271 3.569 236 HB2 LEU 29 2HB LEU 29 7.450 6.625 4.847 237 HB3 LEU 29 3HB LEU 29 5.918 5.893 5.284 238 HG LEU 29 HG LEU 29 7.315 5.615 2.614 239 HD11 LEU 29 1HD1 LEU 29 8.407 4.386 4.426 240 HD12 LEU 29 2HD1 LEU 29 7.645 3.295 3.271 241 HD13 LEU 29 3HD1 LEU 29 6.874 3.609 4.826 242 HD21 LEU 29 3HD2 LEU 29 5.556 3.978 2.094 243 HD22 LEU 29 1HD2 LEU 29 4.891 5.594 2.335 244 HD23 LEU 29 2HD2 LEU 29 4.738 4.379 3.605 245 H THR 30 H THR 30 3.701 7.750 5.480 246 HA THR 30 HA THR 30 4.355 10.161 6.872 247 HB THR 30 HB THR 30 2.013 9.426 6.649 248 HG1 THR 30 HG1 THR 30 1.514 10.275 8.565 249 HG21 THR 30 3HG2 THR 30 2.790 7.216 8.568 250 HG22 THR 30 1HG2 THR 30 2.335 7.005 6.876 251 HG23 THR 30 2HG2 THR 30 1.149 7.590 8.042 252 H ARG 31 H ARG 31 4.278 10.036 9.425 253 HA ARG 31 HA ARG 31 6.777 8.764 10.099 254 HB2 ARG 31 2HB ARG 31 4.910 10.602 11.596 255 HB3 ARG 31 3HB ARG 31 6.321 9.890 12.367 256 HG2 ARG 31 2HG ARG 31 6.749 12.168 11.558 257 HG3 ARG 31 3HG ARG 31 7.793 10.977 10.780 258 HD2 ARG 31 2HD ARG 31 6.316 10.987 8.813 259 HD3 ARG 31 3HD ARG 31 5.291 12.190 9.591 260 HE ARG 31 HE ARG 31 7.346 13.640 9.558 261 HH11 ARG 31 1HH1 ARG 31 6.864 11.150 7.212 262 HH12 ARG 31 2HH1 ARG 31 7.804 11.960 6.008 263 HH21 ARG 31 1HH2 ARG 31 8.547 14.659 7.996 264 HH22 ARG 31 2HH2 ARG 31 8.736 13.915 6.445 265 H GLY 32 H GLY 32 6.787 6.644 10.527 266 HA2 GLY 32 2HA GLY 32 6.425 4.700 11.727 267 HA3 GLY 32 3HA GLY 32 5.356 5.599 12.791 268 H ILE 33 H ILE 33 5.405 4.464 9.401 269 HA ILE 33 HA ILE 33 2.504 4.132 9.486 270 HB ILE 33 HB ILE 33 3.364 5.284 7.553 271 HG12 ILE 33 2HG1 ILE 33 2.481 2.494 6.768 272 HG13 ILE 33 3HG1 ILE 33 1.403 3.811 7.222 273 HG21 ILE 33 1HG2 ILE 33 5.625 4.389 7.519 274 HG22 ILE 33 2HG2 ILE 33 4.870 4.232 5.933 275 HG23 ILE 33 3HG2 ILE 33 5.016 2.822 6.982 276 HD11 ILE 33 3HD1 ILE 33 3.229 3.752 4.824 277 HD12 ILE 33 1HD1 ILE 33 2.164 5.085 5.278 278 HD13 ILE 33 2HD1 ILE 33 1.480 3.526 4.818 279 H ASN 34 H ASN 34 1.674 2.246 10.122 280 HA ASN 34 HA ASN 34 3.196 -0.188 10.174 281 HB2 ASN 34 2HB ASN 34 1.464 0.397 11.876 282 HB3 ASN 34 3HB ASN 34 0.227 0.191 10.642 283 HD21 ASN 34 1HD2 ASN 34 0.418 -1.229 13.088 284 HD22 ASN 34 2HD2 ASN 34 0.631 -2.900 12.701 285 H LEU 35 H LEU 35 3.720 -0.927 8.164 286 HA LEU 35 HA LEU 35 1.812 -1.020 6.006 287 HB2 LEU 35 2HB LEU 35 4.581 -2.200 6.261 288 HB3 LEU 35 3HB LEU 35 3.624 -2.224 4.791 289 HG LEU 35 HG LEU 35 4.651 0.259 6.185 290 HD11 LEU 35 1HD1 LEU 35 5.505 -1.027 3.589 291 HD12 LEU 35 2HD1 LEU 35 6.424 -1.022 5.095 292 HD13 LEU 35 3HD1 LEU 35 6.113 0.493 4.249 293 HD21 LEU 35 3HD2 LEU 35 3.096 -0.048 3.611 294 HD22 LEU 35 1HD2 LEU 35 3.836 1.448 4.184 295 HD23 LEU 35 2HD2 LEU 35 2.526 0.707 5.102 296 H ARG 36 H ARG 36 2.800 -3.209 8.518 297 HA ARG 36 HA ARG 36 2.088 -5.644 7.237 298 HB2 ARG 36 2HB ARG 36 3.537 -5.453 9.282 299 HB3 ARG 36 3HB ARG 36 2.088 -5.092 10.214 300 HG2 ARG 36 2HG ARG 36 1.159 -7.274 9.686 301 HG3 ARG 36 3HG ARG 36 2.540 -7.637 8.650 302 HD2 ARG 36 2HD ARG 36 4.024 -7.460 10.628 303 HD3 ARG 36 3HD ARG 36 2.604 -7.188 11.640 304 HE ARG 36 HE ARG 36 2.343 -9.601 10.171 305 HH11 ARG 36 1HH1 ARG 36 3.913 -8.230 12.906 306 HH12 ARG 36 2HH1 ARG 36 4.156 -9.756 13.676 307 HH21 ARG 36 1HH2 ARG 36 2.623 -11.540 11.161 308 HH22 ARG 36 2HH2 ARG 36 3.417 -11.620 12.694 309 H LYS 37 H LYS 37 0.309 -3.493 9.448 310 HA LYS 37 HA LYS 37 -2.109 -4.818 9.644 311 HB2 LYS 37 2HB LYS 37 -1.453 -2.720 10.833 312 HB3 LYS 37 3HB LYS 37 -1.714 -1.824 9.346 313 HG2 LYS 37 2HG LYS 37 -3.955 -3.440 10.475 314 HG3 LYS 37 3HG LYS 37 -3.532 -1.904 11.228 315 HD2 LYS 37 2HD LYS 37 -3.713 -0.885 8.884 316 HD3 LYS 37 3HD LYS 37 -4.487 -2.401 8.409 317 HE2 LYS 37 2HE LYS 37 -6.187 -2.066 10.156 318 HE3 LYS 37 3HE LYS 37 -5.417 -0.546 10.602 319 HZ1 LYS 37 3HZ LYS 37 -7.319 -0.152 9.204 320 HZ2 LYS 37 1HZ LYS 37 -6.704 -1.152 7.990 321 HZ3 LYS 37 2HZ LYS 37 -5.920 0.298 8.375 322 H ILE 38 H ILE 38 -0.881 -2.840 7.008 323 HA ILE 38 HA ILE 38 -3.216 -2.840 5.391 324 HB ILE 38 HB ILE 38 -0.320 -2.594 4.532 325 HG12 ILE 38 2HG1 ILE 38 -0.846 -0.917 6.217 326 HG13 ILE 38 3HG1 ILE 38 -0.724 -0.144 4.642 327 HG21 ILE 38 1HG2 ILE 38 -1.793 -3.075 2.659 328 HG22 ILE 38 2HG2 ILE 38 -1.222 -1.408 2.574 329 HG23 ILE 38 3HG2 ILE 38 -2.861 -1.752 3.132 330 HD11 ILE 38 3HD1 ILE 38 -3.276 -0.858 6.067 331 HD12 ILE 38 1HD1 ILE 38 -3.161 -0.100 4.479 332 HD13 ILE 38 2HD1 ILE 38 -2.577 0.753 5.906 333 H ALA 39 H ALA 39 -0.222 -4.784 5.230 334 HA ALA 39 HA ALA 39 -0.921 -6.506 3.166 335 HB1 ALA 39 3HB ALA 39 0.783 -8.016 4.050 336 HB2 ALA 39 1HB ALA 39 0.783 -7.136 5.580 337 HB3 ALA 39 2HB ALA 39 1.335 -6.342 4.104 338 H GLU 40 H GLU 40 -1.678 -6.743 6.610 339 HA GLU 40 HA GLU 40 -2.707 -9.374 6.608 340 HB2 GLU 40 2HB GLU 40 -3.279 -7.047 8.455 341 HB3 GLU 40 3HB GLU 40 -3.764 -8.710 8.767 342 HG2 GLU 40 2HG GLU 40 -1.402 -9.387 8.790 343 HG3 GLU 40 3HG GLU 40 -0.926 -7.714 8.501 344 H LEU 41 H LEU 41 -4.065 -6.420 5.467 345 HA LEU 41 HA LEU 41 -6.820 -7.326 5.578 346 HB2 LEU 41 2HB LEU 41 -5.584 -4.945 4.178 347 HB3 LEU 41 3HB LEU 41 -7.305 -5.246 4.332 348 HG LEU 41 HG LEU 41 -5.421 -4.752 6.644 349 HD11 LEU 41 1HD1 LEU 41 -5.696 -2.759 5.279 350 HD12 LEU 41 2HD1 LEU 41 -6.524 -2.579 6.826 351 HD13 LEU 41 3HD1 LEU 41 -7.451 -2.924 5.364 352 HD21 LEU 41 3HD2 LEU 41 -7.467 -4.557 7.978 353 HD22 LEU 41 1HD2 LEU 41 -7.310 -6.164 7.268 354 HD23 LEU 41 2HD2 LEU 41 -8.432 -4.996 6.569 355 H MET 42 H MET 42 -4.277 -8.224 3.703 356 HA MET 42 HA MET 42 -5.921 -8.650 1.282 357 HB2 MET 42 2HB MET 42 -2.904 -8.777 1.554 358 HB3 MET 42 3HB MET 42 -3.820 -8.926 0.060 359 HG2 MET 42 2HG MET 42 -4.574 -6.626 0.270 360 HG3 MET 42 3HG MET 42 -3.718 -6.471 1.804 361 HE1 MET 42 3HE MET 42 -3.350 -6.906 -2.094 362 HE2 MET 42 1HE MET 42 -2.535 -8.336 -1.460 363 HE3 MET 42 2HE MET 42 -1.604 -7.070 -2.257 364 HA PRO 43 HA PRO 43 -5.586 -12.776 3.415 365 HB2 PRO 43 2HB PRO 43 -8.015 -13.716 2.608 366 HB3 PRO 43 3HB PRO 43 -7.791 -12.696 4.033 367 HG2 PRO 43 2HG PRO 43 -8.675 -11.919 1.271 368 HG3 PRO 43 3HG PRO 43 -9.325 -11.405 2.841 369 HD2 PRO 43 2HD PRO 43 -7.642 -9.851 1.408 370 HD3 PRO 43 3HD PRO 43 -7.631 -9.865 3.183 371 H GLY 44 H GLY 44 -4.012 -13.712 2.161 372 HA2 GLY 44 2HA GLY 44 -3.121 -15.129 0.595 373 HA3 GLY 44 3HA GLY 44 -4.762 -15.651 0.266 374 H ALA 45 H ALA 45 -3.822 -12.313 -0.211 375 HA ALA 45 HA ALA 45 -4.593 -12.394 -2.967 376 HB1 ALA 45 3HB ALA 45 -4.034 -10.034 -3.013 377 HB2 ALA 45 1HB ALA 45 -3.190 -10.178 -1.472 378 HB3 ALA 45 2HB ALA 45 -4.935 -10.413 -1.545 379 H SER 46 H SER 46 -3.343 -12.230 -4.819 380 HA SER 46 HA SER 46 -0.866 -13.580 -4.804 381 HB2 SER 46 2HB SER 46 -2.049 -11.906 -7.035 382 HB3 SER 46 3HB SER 46 -0.782 -13.119 -7.207 383 HG SER 46 HG SER 46 -2.594 -14.199 -7.711 384 H GLY 47 H GLY 47 1.244 -12.894 -5.340 385 HA2 GLY 47 2HA GLY 47 2.235 -10.581 -4.166 386 HA3 GLY 47 3HA GLY 47 3.066 -11.488 -5.422 387 H ALA 48 H ALA 48 1.235 -11.063 -7.537 388 HA ALA 48 HA ALA 48 2.013 -8.583 -8.586 389 HB1 ALA 48 3HB ALA 48 -0.397 -10.230 -9.369 390 HB2 ALA 48 1HB ALA 48 1.250 -10.498 -9.939 391 HB3 ALA 48 2HB ALA 48 0.404 -9.007 -10.356 392 H GLU 49 H GLU 49 -0.873 -9.495 -6.773 393 HA GLU 49 HA GLU 49 -2.372 -7.128 -7.221 394 HB2 GLU 49 2HB GLU 49 -2.545 -9.018 -4.859 395 HB3 GLU 49 3HB GLU 49 -3.787 -7.891 -5.393 396 HG2 GLU 49 2HG GLU 49 -2.784 -10.284 -6.934 397 HG3 GLU 49 3HG GLU 49 -4.305 -10.182 -6.050 398 H VAL 50 H VAL 50 0.004 -8.048 -4.781 399 HA VAL 50 HA VAL 50 -0.231 -5.928 -2.991 400 HB VAL 50 HB VAL 50 2.364 -7.201 -3.911 401 HG11 VAL 50 1HG1 VAL 50 1.681 -5.787 -1.327 402 HG12 VAL 50 2HG1 VAL 50 2.717 -5.161 -2.610 403 HG13 VAL 50 3HG1 VAL 50 3.211 -6.585 -1.695 404 HG21 VAL 50 3HG2 VAL 50 2.061 -8.761 -2.038 405 HG22 VAL 50 1HG2 VAL 50 0.754 -8.904 -3.213 406 HG23 VAL 50 2HG2 VAL 50 0.486 -8.047 -1.695 407 H LYS 51 H LYS 51 1.315 -6.016 -6.156 408 HA LYS 51 HA LYS 51 2.523 -3.477 -6.186 409 HB2 LYS 51 2HB LYS 51 2.939 -5.176 -7.902 410 HB3 LYS 51 3HB LYS 51 1.274 -5.056 -8.452 411 HG2 LYS 51 2HG LYS 51 1.709 -2.686 -9.080 412 HG3 LYS 51 3HG LYS 51 3.401 -2.925 -8.642 413 HD2 LYS 51 2HD LYS 51 3.319 -3.218 -10.979 414 HD3 LYS 51 3HD LYS 51 3.416 -4.847 -10.313 415 HE2 LYS 51 2HE LYS 51 0.858 -3.492 -11.190 416 HE3 LYS 51 3HE LYS 51 1.783 -4.613 -12.181 417 HZ1 LYS 51 3HZ LYS 51 1.408 -6.318 -10.462 418 HZ2 LYS 51 1HZ LYS 51 -0.032 -5.760 -11.147 419 HZ3 LYS 51 2HZ LYS 51 0.428 -5.239 -9.609 420 H GLY 52 H GLY 52 -0.798 -4.495 -6.841 421 HA2 GLY 52 2HA GLY 52 -1.787 -2.063 -7.882 422 HA3 GLY 52 3HA GLY 52 -2.750 -3.318 -7.122 423 H VAL 53 H VAL 53 -1.529 -3.230 -4.550 424 HA VAL 53 HA VAL 53 -3.058 -1.240 -3.290 425 HB VAL 53 HB VAL 53 -0.668 -2.734 -2.178 426 HG11 VAL 53 1HG1 VAL 53 -1.172 -0.790 -0.812 427 HG12 VAL 53 2HG1 VAL 53 -1.663 -2.257 0.035 428 HG13 VAL 53 3HG1 VAL 53 -2.874 -1.239 -0.747 429 HG21 VAL 53 3HG2 VAL 53 -2.382 -4.258 -2.979 430 HG22 VAL 53 1HG2 VAL 53 -3.622 -3.380 -2.079 431 HG23 VAL 53 2HG2 VAL 53 -2.357 -4.257 -1.216 432 H CYS 54 H CYS 54 0.495 -1.379 -3.711 433 HA CYS 54 HA CYS 54 1.008 1.156 -2.579 434 HB2 CYS 54 2HB CYS 54 3.229 0.977 -3.655 435 HB3 CYS 54 3HB CYS 54 2.777 -0.490 -2.796 436 HG CYS 54 HG CYS 54 2.883 -0.009 -6.180 437 H THR 55 H THR 55 0.240 0.176 -5.873 438 HA THR 55 HA THR 55 0.829 2.664 -7.123 439 HB THR 55 HB THR 55 -1.073 0.478 -8.017 440 HG1 THR 55 HG1 THR 55 0.688 -0.514 -8.617 441 HG21 THR 55 3HG2 THR 55 -1.556 2.611 -9.145 442 HG22 THR 55 1HG2 THR 55 -0.847 1.445 -10.259 443 HG23 THR 55 2HG2 THR 55 0.141 2.753 -9.608 444 H GLU 56 H GLU 56 -2.301 1.253 -6.084 445 HA GLU 56 HA GLU 56 -3.912 3.462 -6.698 446 HB2 GLU 56 2HB GLU 56 -4.197 1.218 -4.714 447 HB3 GLU 56 3HB GLU 56 -5.414 2.480 -4.833 448 HG2 GLU 56 2HG GLU 56 -4.547 0.763 -7.153 449 HG3 GLU 56 3HG GLU 56 -5.921 0.397 -6.110 450 H ALA 57 H ALA 57 -2.288 2.630 -3.637 451 HA ALA 57 HA ALA 57 -3.196 4.660 -1.999 452 HB1 ALA 57 3HB ALA 57 -0.406 3.499 -2.080 453 HB2 ALA 57 1HB ALA 57 -1.787 2.831 -1.210 454 HB3 ALA 57 2HB ALA 57 -1.113 4.388 -0.730 455 H GLY 58 H GLY 58 -0.423 4.786 -4.239 456 HA2 GLY 58 2HA GLY 58 0.339 7.451 -3.728 457 HA3 GLY 58 3HA GLY 58 0.674 6.562 -5.204 458 H MET 59 H MET 59 -2.101 6.131 -5.922 459 HA MET 59 HA MET 59 -2.532 8.540 -7.366 460 HB2 MET 59 2HB MET 59 -4.350 6.151 -7.008 461 HB3 MET 59 3HB MET 59 -4.609 7.451 -8.163 462 HG2 MET 59 2HG MET 59 -2.208 6.806 -8.984 463 HG3 MET 59 3HG MET 59 -2.573 5.275 -8.187 464 HE1 MET 59 3HE MET 59 -3.645 7.828 -10.952 465 HE2 MET 59 1HE MET 59 -5.056 7.737 -9.897 466 HE3 MET 59 2HE MET 59 -5.142 7.104 -11.543 467 H TYR 60 H TYR 60 -4.106 7.133 -4.510 468 HA TYR 60 HA TYR 60 -6.155 9.040 -4.235 469 HB2 TYR 60 2HB TYR 60 -4.679 7.620 -1.998 470 HB3 TYR 60 3HB TYR 60 -6.267 8.375 -1.882 471 HD1 TYR 60 HD2 TYR 60 -7.437 7.401 -4.485 472 HD2 TYR 60 HD1 TYR 60 -5.194 5.369 -1.488 473 HE1 TYR 60 HE2 TYR 60 -8.475 5.276 -5.150 474 HE2 TYR 60 HE1 TYR 60 -6.226 3.245 -2.152 475 HH TYR 60 HH TYR 60 -7.841 2.795 -5.007 476 H ALA 61 H ALA 61 -2.845 8.993 -2.967 477 HA ALA 61 HA ALA 61 -2.796 11.477 -1.715 478 HB1 ALA 61 3HB ALA 61 -0.990 9.814 -1.563 479 HB2 ALA 61 1HB ALA 61 -0.382 11.412 -1.998 480 HB3 ALA 61 2HB ALA 61 -0.539 10.162 -3.233 481 H LEU 62 H LEU 62 -2.248 10.688 -5.158 482 HA LEU 62 HA LEU 62 -1.448 13.248 -6.000 483 HB2 LEU 62 2HB LEU 62 -2.878 11.073 -7.535 484 HB3 LEU 62 3HB LEU 62 -2.182 12.505 -8.273 485 HG LEU 62 HG LEU 62 -0.638 10.366 -6.789 486 HD11 LEU 62 1HD1 LEU 62 -0.744 11.010 -9.737 487 HD12 LEU 62 2HD1 LEU 62 -1.479 9.605 -8.962 488 HD13 LEU 62 3HD1 LEU 62 0.274 9.790 -8.971 489 HD21 LEU 62 3HD2 LEU 62 0.342 12.803 -8.280 490 HD22 LEU 62 1HD2 LEU 62 1.357 11.544 -7.576 491 HD23 LEU 62 2HD2 LEU 62 0.380 12.573 -6.531 492 H ARG 63 H ARG 63 -4.710 11.768 -6.250 493 HA ARG 63 HA ARG 63 -5.977 14.081 -7.240 494 HB2 ARG 63 2HB ARG 63 -8.110 12.976 -6.536 495 HB3 ARG 63 3HB ARG 63 -7.065 11.965 -7.524 496 HG2 ARG 63 2HG ARG 63 -6.426 10.641 -5.672 497 HG3 ARG 63 3HG ARG 63 -7.109 11.788 -4.519 498 HD2 ARG 63 2HD ARG 63 -8.754 10.273 -6.544 499 HD3 ARG 63 3HD ARG 63 -8.473 9.711 -4.896 500 HE ARG 63 HE ARG 63 -9.466 12.331 -4.800 501 HH11 ARG 63 1HH1 ARG 63 -10.553 9.194 -5.732 502 HH12 ARG 63 2HH1 ARG 63 -12.176 9.486 -5.219 503 HH21 ARG 63 1HH2 ARG 63 -11.555 12.677 -4.122 504 HH22 ARG 63 2HH2 ARG 63 -12.733 11.425 -4.307 505 H GLU 64 H GLU 64 -5.554 12.930 -3.899 506 HA GLU 64 HA GLU 64 -7.072 15.199 -2.873 507 HB2 GLU 64 2HB GLU 64 -5.763 12.892 -1.420 508 HB3 GLU 64 3HB GLU 64 -6.750 14.135 -0.660 509 HG2 GLU 64 2HG GLU 64 -8.618 13.426 -2.221 510 HG3 GLU 64 3HG GLU 64 -7.617 12.038 -2.640 511 H ARG 65 H ARG 65 -4.176 15.183 -4.082 512 HA ARG 65 HA ARG 65 -2.477 16.688 -4.012 513 HB2 ARG 65 2HB ARG 65 -4.050 18.118 -1.859 514 HB3 ARG 65 3HB ARG 65 -2.829 18.812 -2.919 515 HG2 ARG 65 2HG ARG 65 -5.520 17.749 -3.771 516 HG3 ARG 65 3HG ARG 65 -5.082 19.449 -3.604 517 HD2 ARG 65 2HD ARG 65 -3.533 19.301 -5.424 518 HD3 ARG 65 3HD ARG 65 -3.679 17.544 -5.480 519 HE ARG 65 HE ARG 65 -6.201 18.335 -5.937 520 HH11 ARG 65 1HH1 ARG 65 -3.228 19.390 -7.340 521 HH12 ARG 65 2HH1 ARG 65 -3.949 19.674 -8.891 522 HH21 ARG 65 1HH2 ARG 65 -7.098 18.707 -7.913 523 HH22 ARG 65 2HH2 ARG 65 -6.107 19.291 -9.207 524 H ARG 66 H ARG 66 -2.662 14.420 -1.942 525 HA ARG 66 HA ARG 66 -1.294 15.378 0.397 526 HB2 ARG 66 2HB ARG 66 -1.767 12.556 -0.592 527 HB3 ARG 66 3HB ARG 66 -1.149 12.979 1.000 528 HG2 ARG 66 2HG ARG 66 -3.235 14.086 1.552 529 HG3 ARG 66 3HG ARG 66 -3.849 13.788 -0.075 530 HD2 ARG 66 2HD ARG 66 -3.805 11.393 0.309 531 HD3 ARG 66 3HD ARG 66 -3.083 11.633 1.900 532 HE ARG 66 HE ARG 66 -5.504 13.054 1.754 533 HH11 ARG 66 1HH1 ARG 66 -4.390 9.787 1.830 534 HH12 ARG 66 2HH1 ARG 66 -5.781 9.233 2.690 535 HH21 ARG 66 1HH2 ARG 66 -7.279 12.311 2.850 536 HH22 ARG 66 2HH2 ARG 66 -7.391 10.639 3.266 537 H VAL 67 H VAL 67 0.802 15.876 0.477 538 HA VAL 67 HA VAL 67 2.696 15.009 -1.509 539 HB VAL 67 HB VAL 67 3.252 16.426 1.114 540 HG11 VAL 67 1HG1 VAL 67 5.286 17.224 -0.021 541 HG12 VAL 67 2HG1 VAL 67 4.882 16.238 -1.427 542 HG13 VAL 67 3HG1 VAL 67 5.252 15.463 0.113 543 HG21 VAL 67 3HG2 VAL 67 1.620 17.681 -0.206 544 HG22 VAL 67 1HG2 VAL 67 2.684 17.613 -1.611 545 HG23 VAL 67 2HG2 VAL 67 3.173 18.517 -0.177 546 H HIS 68 H HIS 68 1.903 14.101 1.802 547 HA HIS 68 HA HIS 68 3.847 11.885 1.611 548 HB2 HIS 68 2HB HIS 68 3.848 11.815 4.091 549 HB3 HIS 68 3HB HIS 68 4.443 13.343 3.451 550 HD1 HIS 68 HD1 HIS 68 3.217 15.453 4.141 551 HD2 HIS 68 HD2 HIS 68 1.252 11.985 5.322 552 HE1 HIS 68 HE1 HIS 68 1.411 16.202 5.716 553 HE2 HIS 68 HE2 HIS 68 0.140 14.112 6.288 554 H VAL 69 H VAL 69 3.081 9.888 1.535 555 HA VAL 69 HA VAL 69 0.233 9.413 1.643 556 HB VAL 69 HB VAL 69 2.492 7.456 1.143 557 HG11 VAL 69 1HG1 VAL 69 -0.470 7.236 0.584 558 HG12 VAL 69 2HG1 VAL 69 0.436 6.330 1.797 559 HG13 VAL 69 3HG1 VAL 69 0.757 6.072 0.083 560 HG21 VAL 69 3HG2 VAL 69 2.504 9.278 -0.489 561 HG22 VAL 69 1HG2 VAL 69 0.800 8.987 -0.836 562 HG23 VAL 69 2HG2 VAL 69 2.002 7.760 -1.235 563 H THR 70 H THR 70 -0.883 8.250 3.181 564 HA THR 70 HA THR 70 0.618 7.538 5.634 565 HB THR 70 HB THR 70 -1.306 8.043 6.948 566 HG1 THR 70 HG1 THR 70 -2.755 8.427 4.509 567 HG21 THR 70 3HG2 THR 70 -0.065 10.028 6.242 568 HG22 THR 70 1HG2 THR 70 -1.785 10.393 6.387 569 HG23 THR 70 2HG2 THR 70 -1.065 10.157 4.794 570 H GLN 71 H GLN 71 -0.968 5.994 7.029 571 HA GLN 71 HA GLN 71 -0.970 3.475 5.710 572 HB2 GLN 71 2HB GLN 71 -0.653 3.833 8.171 573 HB3 GLN 71 3HB GLN 71 -2.353 4.255 8.290 574 HG2 GLN 71 2HG GLN 71 -2.937 1.991 7.488 575 HG3 GLN 71 3HG GLN 71 -1.221 1.580 7.480 576 HE21 GLN 71 1HE2 GLN 71 -1.388 -0.010 9.042 577 HE22 GLN 71 2HE2 GLN 71 -1.756 0.332 10.697 578 H GLU 72 H GLU 72 -3.355 5.958 6.172 579 HA GLU 72 HA GLU 72 -5.734 4.505 5.766 580 HB2 GLU 72 2HB GLU 72 -5.130 7.397 5.091 581 HB3 GLU 72 3HB GLU 72 -6.736 6.696 5.266 582 HG2 GLU 72 2HG GLU 72 -6.387 6.305 7.604 583 HG3 GLU 72 3HG GLU 72 -4.692 6.777 7.478 584 H ASP 73 H ASP 73 -3.642 6.237 3.466 585 HA ASP 73 HA ASP 73 -5.129 5.845 1.138 586 HB2 ASP 73 2HB ASP 73 -2.109 5.920 1.375 587 HB3 ASP 73 3HB ASP 73 -3.057 6.296 -0.063 588 H PHE 74 H PHE 74 -2.554 3.807 2.523 589 HA PHE 74 HA PHE 74 -2.514 1.869 0.489 590 HB2 PHE 74 2HB PHE 74 -1.644 1.821 3.370 591 HB3 PHE 74 3HB PHE 74 -1.508 0.391 2.357 592 HD1 PHE 74 HD2 PHE 74 0.075 0.303 0.514 593 HD2 PHE 74 HD1 PHE 74 -0.220 3.755 2.995 594 HE1 PHE 74 HE2 PHE 74 2.221 1.115 -0.366 595 HE2 PHE 74 HE1 PHE 74 1.930 4.569 2.113 596 HZ PHE 74 HZ PHE 74 3.153 3.248 0.431 597 H GLU 75 H GLU 75 -4.323 1.831 3.599 598 HA GLU 75 HA GLU 75 -5.427 -0.745 3.155 599 HB2 GLU 75 2HB GLU 75 -7.021 -0.194 4.959 600 HB3 GLU 75 3HB GLU 75 -5.354 0.147 5.393 601 HG2 GLU 75 2HG GLU 75 -5.710 2.518 5.001 602 HG3 GLU 75 3HG GLU 75 -7.373 2.200 4.505 603 H MET 76 H MET 76 -6.621 2.504 2.342 604 HA MET 76 HA MET 76 -9.111 1.708 1.277 605 HB2 MET 76 2HB MET 76 -7.306 4.051 0.670 606 HB3 MET 76 3HB MET 76 -8.840 3.822 -0.161 607 HG2 MET 76 2HG MET 76 -8.437 4.192 2.801 608 HG3 MET 76 3HG MET 76 -9.112 5.365 1.669 609 HE1 MET 76 3HE MET 76 -12.429 3.464 0.575 610 HE2 MET 76 1HE MET 76 -10.846 3.215 -0.167 611 HE3 MET 76 2HE MET 76 -11.381 4.845 0.250 612 H ALA 77 H ALA 77 -5.880 1.857 -0.136 613 HA ALA 77 HA ALA 77 -6.523 1.130 -2.771 614 HB1 ALA 77 3HB ALA 77 -4.198 0.464 -2.982 615 HB2 ALA 77 1HB ALA 77 -4.023 0.433 -1.226 616 HB3 ALA 77 2HB ALA 77 -4.315 1.960 -2.056 617 H VAL 78 H VAL 78 -5.678 -0.900 0.039 618 HA VAL 78 HA VAL 78 -5.886 -3.417 -1.146 619 HB VAL 78 HB VAL 78 -6.616 -2.631 1.686 620 HG11 VAL 78 1HG1 VAL 78 -7.591 -4.791 1.125 621 HG12 VAL 78 2HG1 VAL 78 -6.239 -5.004 2.238 622 HG13 VAL 78 3HG1 VAL 78 -6.035 -5.359 0.521 623 HG21 VAL 78 3HG2 VAL 78 -4.040 -3.711 0.538 624 HG22 VAL 78 1HG2 VAL 78 -4.354 -3.399 2.244 625 HG23 VAL 78 2HG2 VAL 78 -4.318 -2.061 1.094 626 H ALA 79 H ALA 79 -8.443 -1.435 0.354 627 HA ALA 79 HA ALA 79 -10.581 -3.214 0.096 628 HB1 ALA 79 3HB ALA 79 -12.036 -1.249 0.224 629 HB2 ALA 79 1HB ALA 79 -10.662 -0.197 -0.119 630 HB3 ALA 79 2HB ALA 79 -10.711 -1.126 1.381 631 H LYS 80 H LYS 80 -9.294 -0.855 -2.225 632 HA LYS 80 HA LYS 80 -11.214 -1.349 -4.266 633 HB2 LYS 80 2HB LYS 80 -9.969 0.717 -4.288 634 HB3 LYS 80 3HB LYS 80 -8.439 -0.149 -4.360 635 HG2 LYS 80 2HG LYS 80 -8.979 0.792 -6.528 636 HG3 LYS 80 3HG LYS 80 -8.995 -0.968 -6.603 637 HD2 LYS 80 2HD LYS 80 -10.899 -0.380 -7.809 638 HD3 LYS 80 3HD LYS 80 -11.550 -0.737 -6.212 639 HE2 LYS 80 2HE LYS 80 -10.904 2.023 -7.258 640 HE3 LYS 80 3HE LYS 80 -12.512 1.307 -7.217 641 HZ1 LYS 80 3HZ LYS 80 -12.224 2.760 -5.357 642 HZ2 LYS 80 1HZ LYS 80 -10.814 1.966 -4.873 643 HZ3 LYS 80 2HZ LYS 80 -12.304 1.172 -4.786 644 H VAL 81 H VAL 81 -7.826 -2.464 -3.918 645 HA VAL 81 HA VAL 81 -7.708 -4.030 -6.233 646 HB VAL 81 HB VAL 81 -6.216 -4.435 -3.625 647 HG11 VAL 81 1HG1 VAL 81 -6.095 -6.443 -4.995 648 HG12 VAL 81 2HG1 VAL 81 -4.538 -5.614 -4.989 649 HG13 VAL 81 3HG1 VAL 81 -5.599 -5.487 -6.392 650 HG21 VAL 81 3HG2 VAL 81 -5.900 -2.202 -4.575 651 HG22 VAL 81 1HG2 VAL 81 -5.444 -2.913 -6.123 652 HG23 VAL 81 2HG2 VAL 81 -4.422 -3.154 -4.706 653 H MET 82 H MET 82 -8.585 -5.009 -2.916 654 HA MET 82 HA MET 82 -9.246 -7.707 -3.722 655 HB2 MET 82 2HB MET 82 -9.686 -6.219 -1.120 656 HB3 MET 82 3HB MET 82 -10.063 -7.919 -1.361 657 HG2 MET 82 2HG MET 82 -7.317 -6.705 -1.627 658 HG3 MET 82 3HG MET 82 -7.919 -7.554 -0.206 659 HE1 MET 82 3HE MET 82 -8.435 -11.187 -1.622 660 HE2 MET 82 1HE MET 82 -9.633 -9.897 -1.548 661 HE3 MET 82 2HE MET 82 -8.537 -10.161 -0.191 662 H GLN 83 H GLN 83 -10.845 -4.739 -3.835 663 HA GLN 83 HA GLN 83 -12.957 -4.041 -4.208 664 HB2 GLN 83 2HB GLN 83 -13.316 -6.873 -5.205 665 HB3 GLN 83 3HB GLN 83 -14.464 -5.567 -5.467 666 HG2 GLN 83 2HG GLN 83 -12.615 -4.318 -6.637 667 HG3 GLN 83 3HG GLN 83 -11.661 -5.798 -6.543 668 HE21 GLN 83 1HE2 GLN 83 -12.625 -4.367 -8.895 669 HE22 GLN 83 2HE2 GLN 83 -13.582 -5.499 -9.782 670 H LYS 84 H LYS 84 -12.396 -4.930 -1.570 671 HA LYS 84 HA LYS 84 -14.945 -6.141 -0.701 672 HB2 LYS 84 2HB LYS 84 -13.835 -6.700 1.394 673 HB3 LYS 84 3HB LYS 84 -12.905 -7.318 0.035 674 HG2 LYS 84 2HG LYS 84 -11.350 -5.429 0.245 675 HG3 LYS 84 3HG LYS 84 -12.278 -4.828 1.623 676 HD2 LYS 84 2HD LYS 84 -11.812 -6.954 2.816 677 HD3 LYS 84 3HD LYS 84 -10.815 -7.471 1.454 678 HE2 LYS 84 2HE LYS 84 -9.405 -6.588 3.215 679 HE3 LYS 84 3HE LYS 84 -9.350 -5.514 1.818 680 HZ1 LYS 84 3HZ LYS 84 -9.555 -4.214 3.796 681 HZ2 LYS 84 1HZ LYS 84 -10.902 -5.098 4.314 682 HZ3 LYS 84 2HZ LYS 84 -11.012 -4.110 2.950 683 H ASP 85 H ASP 85 -15.408 -5.335 1.733 684 HA ASP 85 HA ASP 85 -16.336 -3.682 2.989 685 HB2 ASP 85 2HB ASP 85 -14.052 -2.013 1.900 686 HB3 ASP 85 3HB ASP 85 -15.016 -1.638 3.325 687 H SER 86 H SER 86 -17.410 -4.039 0.392 688 HA SER 86 HA SER 86 -17.981 -1.388 -0.687 689 HB2 SER 86 2HB SER 86 -19.222 -2.628 -2.452 690 HB3 SER 86 3HB SER 86 -17.554 -3.173 -2.289 691 HG SER 86 HG SER 86 -19.805 -4.448 -1.099 Start of MODEL 15 1 H1 MET 1 1H MET 1 3.092 -23.984 -26.032 2 H2 MET 1 2H MET 1 2.200 -24.788 -24.837 3 H3 MET 1 3H MET 1 3.219 -25.662 -25.865 4 HA MET 1 HA MET 1 4.187 -25.407 -23.671 5 HB2 MET 1 2HB MET 1 6.385 -24.537 -24.406 6 HB3 MET 1 3HB MET 1 5.679 -25.652 -25.567 7 HG2 MET 1 2HG MET 1 4.920 -23.712 -26.907 8 HG3 MET 1 3HG MET 1 5.751 -22.648 -25.772 9 HE1 MET 1 3HE MET 1 6.919 -26.189 -27.040 10 HE2 MET 1 1HE MET 1 7.914 -25.746 -28.428 11 HE3 MET 1 2HE MET 1 6.172 -25.479 -28.472 12 H GLY 2 H GLY 2 2.466 -22.748 -24.578 13 HA2 GLY 2 2HA GLY 2 3.815 -20.678 -23.138 14 HA3 GLY 2 3HA GLY 2 2.147 -20.649 -23.685 15 H HIS 3 H HIS 3 3.835 -20.245 -21.009 16 HA HIS 3 HA HIS 3 2.548 -22.071 -19.193 17 HB2 HIS 3 2HB HIS 3 4.107 -19.550 -18.570 18 HB3 HIS 3 3HB HIS 3 3.689 -20.823 -17.429 19 HD1 HIS 3 HD1 HIS 3 6.554 -19.705 -18.898 20 HD2 HIS 3 HD2 HIS 3 4.774 -23.459 -18.921 21 HE1 HIS 3 HE1 HIS 3 8.406 -21.321 -19.402 22 HE2 HIS 3 HE2 HIS 3 7.281 -23.566 -19.555 23 H HIS 4 H HIS 4 0.320 -21.608 -19.817 24 HA HIS 4 HA HIS 4 -0.785 -19.021 -19.012 25 HB2 HIS 4 2HB HIS 4 -2.237 -21.441 -20.121 26 HB3 HIS 4 3HB HIS 4 -2.873 -19.806 -19.977 27 HD1 HIS 4 HD1 HIS 4 -1.460 -17.972 -21.485 28 HD2 HIS 4 HD2 HIS 4 -1.178 -21.978 -22.550 29 HE1 HIS 4 HE1 HIS 4 -0.625 -17.982 -23.849 30 HE2 HIS 4 HE2 HIS 4 -0.603 -20.405 -24.516 31 H HIS 5 H HIS 5 0.070 -21.672 -17.353 32 HA HIS 5 HA HIS 5 -2.244 -22.279 -15.824 33 HB2 HIS 5 2HB HIS 5 0.688 -22.811 -15.332 34 HB3 HIS 5 3HB HIS 5 -0.587 -23.389 -14.265 35 HD1 HIS 5 HD1 HIS 5 -2.144 -25.264 -15.183 36 HD2 HIS 5 HD2 HIS 5 0.969 -24.217 -17.727 37 HE1 HIS 5 HE1 HIS 5 -2.028 -27.097 -16.894 38 HE2 HIS 5 HE2 HIS 5 -0.024 -26.532 -18.303 39 H HIS 6 H HIS 6 -3.003 -20.188 -15.253 40 HA HIS 6 HA HIS 6 -1.442 -18.479 -13.540 41 HB2 HIS 6 2HB HIS 6 -3.439 -17.036 -13.510 42 HB3 HIS 6 3HB HIS 6 -2.985 -17.490 -15.146 43 HD1 HIS 6 HD1 HIS 6 -5.770 -17.582 -12.764 44 HD2 HIS 6 HD2 HIS 6 -4.763 -19.464 -16.330 45 HE1 HIS 6 HE1 HIS 6 -7.895 -18.607 -13.606 46 HE2 HIS 6 HE2 HIS 6 -7.295 -19.610 -15.826 47 H HIS 7 H HIS 7 -1.053 -20.088 -11.864 48 HA HIS 7 HA HIS 7 -3.273 -20.761 -10.105 49 HB2 HIS 7 2HB HIS 7 -1.402 -21.777 -8.682 50 HB3 HIS 7 3HB HIS 7 -1.666 -22.490 -10.268 51 HD1 HIS 7 HD1 HIS 7 0.207 -22.284 -11.991 52 HD2 HIS 7 HD2 HIS 7 1.040 -20.328 -8.415 53 HE1 HIS 7 HE1 HIS 7 2.641 -21.674 -12.106 54 HE2 HIS 7 HE2 HIS 7 3.099 -20.407 -9.983 55 H HIS 8 H HIS 8 -3.425 -20.144 -7.892 56 HA HIS 8 HA HIS 8 -2.343 -17.461 -7.376 57 HB2 HIS 8 2HB HIS 8 -4.614 -18.984 -6.066 58 HB3 HIS 8 3HB HIS 8 -4.093 -17.367 -5.598 59 HD1 HIS 8 HD1 HIS 8 -5.237 -15.494 -6.759 60 HD2 HIS 8 HD2 HIS 8 -5.527 -19.043 -8.898 61 HE1 HIS 8 HE1 HIS 8 -6.705 -14.975 -8.725 62 HE2 HIS 8 HE2 HIS 8 -6.980 -17.169 -9.920 63 H SER 9 H SER 9 -0.522 -17.375 -6.240 64 HA SER 9 HA SER 9 0.634 -19.655 -5.033 65 HB2 SER 9 2HB SER 9 1.951 -17.837 -6.072 66 HB3 SER 9 3HB SER 9 1.492 -16.763 -4.751 67 HG SER 9 HG SER 9 3.415 -17.569 -4.127 68 H HIS 10 H HIS 10 -1.210 -17.017 -3.625 69 HA HIS 10 HA HIS 10 -1.772 -16.448 -1.491 70 HB2 HIS 10 2HB HIS 10 -2.888 -18.646 -1.618 71 HB3 HIS 10 3HB HIS 10 -1.423 -19.430 -1.039 72 HD1 HIS 10 HD1 HIS 10 -0.795 -19.021 1.493 73 HD2 HIS 10 HD2 HIS 10 -4.533 -17.594 0.354 74 HE1 HIS 10 HE1 HIS 10 -2.047 -18.628 3.634 75 HE2 HIS 10 HE2 HIS 10 -4.289 -17.739 2.930 76 HA PRO 11 HA PRO 11 2.695 -16.438 -0.124 77 HB2 PRO 11 2HB PRO 11 3.057 -13.773 -0.075 78 HB3 PRO 11 3HB PRO 11 3.124 -14.690 -1.588 79 HG2 PRO 11 2HG PRO 11 0.833 -13.114 -0.437 80 HG3 PRO 11 3HG PRO 11 1.481 -13.089 -2.090 81 HD2 PRO 11 2HD PRO 11 -0.714 -14.534 -1.415 82 HD3 PRO 11 3HD PRO 11 0.422 -15.067 -2.671 83 H ASN 12 H ASN 12 3.542 -16.075 1.900 84 HA ASN 12 HA ASN 12 1.759 -15.810 4.094 85 HB2 ASN 12 2HB ASN 12 4.786 -15.719 3.993 86 HB3 ASN 12 3HB ASN 12 3.833 -15.868 5.466 87 HD21 ASN 12 1HD2 ASN 12 4.797 -17.835 5.950 88 HD22 ASN 12 2HD2 ASN 12 4.390 -19.283 5.100 89 H GLU 13 H GLU 13 2.083 -14.235 5.900 90 HA GLU 13 HA GLU 13 1.673 -11.587 5.191 91 HB2 GLU 13 2HB GLU 13 1.141 -12.529 7.407 92 HB3 GLU 13 3HB GLU 13 2.855 -12.646 7.773 93 HG2 GLU 13 2HG GLU 13 3.029 -10.187 7.610 94 HG3 GLU 13 3HG GLU 13 1.290 -10.108 7.328 95 H GLU 14 H GLU 14 4.682 -13.051 6.395 96 HA GLU 14 HA GLU 14 6.415 -10.899 6.183 97 HB2 GLU 14 2HB GLU 14 7.033 -12.984 7.253 98 HB3 GLU 14 3HB GLU 14 6.899 -13.851 5.732 99 HG2 GLU 14 2HG GLU 14 9.209 -13.552 6.216 100 HG3 GLU 14 3HG GLU 14 8.800 -12.508 4.858 101 H ALA 15 H ALA 15 5.658 -13.333 3.689 102 HA ALA 15 HA ALA 15 7.470 -12.438 1.744 103 HB1 ALA 15 3HB ALA 15 6.432 -14.655 1.719 104 HB2 ALA 15 1HB ALA 15 6.221 -13.821 0.179 105 HB3 ALA 15 2HB ALA 15 4.877 -13.923 1.319 106 H ARG 16 H ARG 16 3.958 -11.750 2.010 107 HA ARG 16 HA ARG 16 3.994 -10.030 -0.270 108 HB2 ARG 16 2HB ARG 16 1.690 -9.447 0.346 109 HB3 ARG 16 3HB ARG 16 1.959 -11.181 0.310 110 HG2 ARG 16 2HG ARG 16 2.227 -11.063 2.828 111 HG3 ARG 16 3HG ARG 16 1.621 -9.407 2.715 112 HD2 ARG 16 2HD ARG 16 -0.396 -10.302 1.538 113 HD3 ARG 16 3HD ARG 16 0.194 -11.930 1.863 114 HE ARG 16 HE ARG 16 -0.650 -9.992 3.910 115 HH11 ARG 16 1HH1 ARG 16 -0.108 -13.254 2.909 116 HH12 ARG 16 2HH1 ARG 16 -0.858 -13.911 4.320 117 HH21 ARG 16 1HH2 ARG 16 -1.626 -10.848 5.677 118 HH22 ARG 16 2HH2 ARG 16 -1.732 -12.566 5.861 119 H LEU 17 H LEU 17 4.346 -9.473 3.196 120 HA LEU 17 HA LEU 17 4.213 -6.653 3.138 121 HB2 LEU 17 2HB LEU 17 4.137 -7.963 5.216 122 HB3 LEU 17 3HB LEU 17 5.805 -8.447 4.979 123 HG LEU 17 HG LEU 17 6.564 -6.156 5.295 124 HD11 LEU 17 1HD1 LEU 17 4.975 -4.394 5.984 125 HD12 LEU 17 2HD1 LEU 17 3.639 -5.482 5.607 126 HD13 LEU 17 3HD1 LEU 17 4.722 -4.938 4.324 127 HD21 LEU 17 3HD2 LEU 17 6.306 -7.572 7.272 128 HD22 LEU 17 1HD2 LEU 17 4.643 -7.010 7.467 129 HD23 LEU 17 2HD2 LEU 17 5.986 -5.881 7.652 130 H ASP 18 H ASP 18 6.836 -8.906 2.449 131 HA ASP 18 HA ASP 18 9.019 -7.211 2.241 132 HB2 ASP 18 2HB ASP 18 9.070 -9.680 1.956 133 HB3 ASP 18 3HB ASP 18 8.296 -9.502 0.387 134 H ILE 19 H ILE 19 6.544 -7.922 -0.195 135 HA ILE 19 HA ILE 19 7.497 -6.299 -2.283 136 HB ILE 19 HB ILE 19 4.588 -6.892 -1.690 137 HG12 ILE 19 2HG1 ILE 19 6.508 -8.624 -3.275 138 HG13 ILE 19 3HG1 ILE 19 6.044 -8.948 -1.609 139 HG21 ILE 19 1HG2 ILE 19 4.903 -5.276 -3.466 140 HG22 ILE 19 2HG2 ILE 19 4.354 -6.804 -4.153 141 HG23 ILE 19 3HG2 ILE 19 6.052 -6.342 -4.277 142 HD11 ILE 19 3HD1 ILE 19 3.718 -9.190 -2.300 143 HD12 ILE 19 1HD1 ILE 19 4.776 -10.311 -3.159 144 HD13 ILE 19 2HD1 ILE 19 4.180 -8.863 -3.972 145 H LEU 20 H LEU 20 5.126 -5.624 0.282 146 HA LEU 20 HA LEU 20 4.431 -3.012 -0.413 147 HB2 LEU 20 2HB LEU 20 4.609 -4.312 2.311 148 HB3 LEU 20 3HB LEU 20 3.845 -2.761 2.016 149 HG LEU 20 HG LEU 20 2.942 -5.307 0.666 150 HD11 LEU 20 1HD1 LEU 20 2.704 -5.605 3.061 151 HD12 LEU 20 2HD1 LEU 20 1.129 -5.395 2.302 152 HD13 LEU 20 3HD1 LEU 20 1.861 -4.060 3.193 153 HD21 LEU 20 3HD2 LEU 20 2.301 -3.228 -0.454 154 HD22 LEU 20 1HD2 LEU 20 1.593 -2.630 1.048 155 HD23 LEU 20 2HD2 LEU 20 0.896 -4.035 0.244 156 H LYS 21 H LYS 21 7.082 -4.149 1.684 157 HA LYS 21 HA LYS 21 8.110 -1.679 2.482 158 HB2 LYS 21 2HB LYS 21 9.552 -4.275 1.913 159 HB3 LYS 21 3HB LYS 21 10.310 -2.885 2.679 160 HG2 LYS 21 2HG LYS 21 8.772 -3.037 4.551 161 HG3 LYS 21 3HG LYS 21 7.927 -4.380 3.775 162 HD2 LYS 21 2HD LYS 21 9.924 -5.760 3.914 163 HD3 LYS 21 3HD LYS 21 10.843 -4.408 4.578 164 HE2 LYS 21 2HE LYS 21 8.436 -5.652 5.909 165 HE3 LYS 21 3HE LYS 21 10.108 -6.066 6.282 166 HZ1 LYS 21 3HZ LYS 21 9.159 -4.437 7.827 167 HZ2 LYS 21 1HZ LYS 21 8.937 -3.350 6.551 168 HZ3 LYS 21 2HZ LYS 21 10.496 -3.822 7.001 169 H ILE 22 H ILE 22 8.984 -3.603 -0.394 170 HA ILE 22 HA ILE 22 11.001 -1.923 -1.362 171 HB ILE 22 HB ILE 22 9.152 -3.732 -2.934 172 HG12 ILE 22 2HG1 ILE 22 11.922 -4.234 -1.800 173 HG13 ILE 22 3HG1 ILE 22 10.422 -4.856 -1.124 174 HG21 ILE 22 1HG2 ILE 22 11.830 -2.559 -3.718 175 HG22 ILE 22 2HG2 ILE 22 10.265 -2.119 -4.404 176 HG23 ILE 22 3HG2 ILE 22 10.914 -3.741 -4.651 177 HD11 ILE 22 3HD1 ILE 22 10.041 -6.149 -3.156 178 HD12 ILE 22 1HD1 ILE 22 11.582 -6.550 -2.401 179 HD13 ILE 22 2HD1 ILE 22 11.545 -5.523 -3.834 180 H HIS 23 H HIS 23 7.532 -1.973 -2.264 181 HA HIS 23 HA HIS 23 7.837 0.207 -4.110 182 HB2 HIS 23 2HB HIS 23 5.374 -1.137 -2.991 183 HB3 HIS 23 3HB HIS 23 5.327 0.127 -4.219 184 HD1 HIS 23 HD1 HIS 23 6.175 -0.507 -6.603 185 HD2 HIS 23 HD2 HIS 23 6.177 -3.661 -3.895 186 HE1 HIS 23 HE1 HIS 23 6.481 -2.578 -7.980 187 HE2 HIS 23 HE2 HIS 23 6.721 -4.432 -6.300 188 H SER 24 H SER 24 6.868 -0.031 -0.728 189 HA SER 24 HA SER 24 5.829 2.622 -0.531 190 HB2 SER 24 2HB SER 24 5.882 2.304 1.875 191 HB3 SER 24 3HB SER 24 5.302 0.826 1.114 192 HG SER 24 HG SER 24 6.995 -0.205 1.816 193 H ARG 25 H ARG 25 9.037 1.217 -0.111 194 HA ARG 25 HA ARG 25 10.326 3.573 0.828 195 HB2 ARG 25 2HB ARG 25 11.374 1.104 -0.566 196 HB3 ARG 25 3HB ARG 25 12.426 2.402 -0.014 197 HG2 ARG 25 2HG ARG 25 11.723 2.034 2.282 198 HG3 ARG 25 3HG ARG 25 10.585 0.793 1.753 199 HD2 ARG 25 2HD ARG 25 12.417 -0.592 0.960 200 HD3 ARG 25 3HD ARG 25 13.583 0.662 1.380 201 HE ARG 25 HE ARG 25 12.778 0.286 3.749 202 HH11 ARG 25 1HH1 ARG 25 12.749 -2.196 1.365 203 HH12 ARG 25 2HH1 ARG 25 12.877 -3.471 2.526 204 HH21 ARG 25 1HH2 ARG 25 12.982 -1.343 5.233 205 HH22 ARG 25 2HH2 ARG 25 13.032 -2.989 4.702 206 H LYS 26 H LYS 26 8.772 3.205 -2.026 207 HA LYS 26 HA LYS 26 10.596 5.019 -3.465 208 HB2 LYS 26 2HB LYS 26 8.275 3.365 -4.492 209 HB3 LYS 26 3HB LYS 26 9.217 4.474 -5.475 210 HG2 LYS 26 2HG LYS 26 10.604 2.263 -4.011 211 HG3 LYS 26 3HG LYS 26 9.726 1.912 -5.495 212 HD2 LYS 26 2HD LYS 26 12.042 2.288 -6.031 213 HD3 LYS 26 3HD LYS 26 11.087 3.623 -6.668 214 HE2 LYS 26 2HE LYS 26 13.171 4.409 -5.669 215 HE3 LYS 26 3HE LYS 26 11.778 5.025 -4.790 216 HZ1 LYS 26 3HZ LYS 26 13.465 4.289 -3.264 217 HZ2 LYS 26 1HZ LYS 26 13.511 2.757 -3.975 218 HZ3 LYS 26 2HZ LYS 26 12.133 3.256 -3.139 219 H MET 27 H MET 27 8.072 5.214 -1.406 220 HA MET 27 HA MET 27 7.113 7.742 -2.585 221 HB2 MET 27 2HB MET 27 5.354 5.682 -1.219 222 HB3 MET 27 3HB MET 27 4.828 7.249 -1.822 223 HG2 MET 27 2HG MET 27 5.378 6.551 -4.106 224 HG3 MET 27 3HG MET 27 5.888 4.977 -3.499 225 HE1 MET 27 3HE MET 27 2.458 3.612 -2.059 226 HE2 MET 27 1HE MET 27 3.585 4.632 -1.163 227 HE3 MET 27 2HE MET 27 4.193 3.325 -2.180 228 H ASN 28 H ASN 28 6.666 9.389 -1.099 229 HA ASN 28 HA ASN 28 7.940 9.204 1.464 230 HB2 ASN 28 2HB ASN 28 6.182 11.396 0.325 231 HB3 ASN 28 3HB ASN 28 7.200 11.538 1.756 232 HD21 ASN 28 1HD2 ASN 28 7.259 13.062 -0.718 233 HD22 ASN 28 2HD2 ASN 28 8.848 12.870 -1.362 234 H LEU 29 H LEU 29 7.020 8.164 3.141 235 HA LEU 29 HA LEU 29 4.100 7.893 3.274 236 HB2 LEU 29 2HB LEU 29 6.207 6.586 5.004 237 HB3 LEU 29 3HB LEU 29 4.517 6.135 4.885 238 HG LEU 29 HG LEU 29 6.551 5.872 2.662 239 HD11 LEU 29 1HD1 LEU 29 6.938 4.342 4.560 240 HD12 LEU 29 2HD1 LEU 29 6.474 3.499 3.086 241 HD13 LEU 29 3HD1 LEU 29 5.293 3.727 4.377 242 HD21 LEU 29 3HD2 LEU 29 4.815 4.609 1.498 243 HD22 LEU 29 1HD2 LEU 29 4.273 6.253 1.831 244 HD23 LEU 29 2HD2 LEU 29 3.685 4.913 2.818 245 H THR 30 H THR 30 3.219 7.812 5.635 246 HA THR 30 HA THR 30 3.988 10.201 7.093 247 HB THR 30 HB THR 30 1.624 9.701 7.070 248 HG1 THR 30 HG1 THR 30 1.249 9.757 9.322 249 HG21 THR 30 3HG2 THR 30 2.329 7.074 8.388 250 HG22 THR 30 1HG2 THR 30 1.704 7.283 6.750 251 HG23 THR 30 2HG2 THR 30 0.695 7.690 8.139 252 H ARG 31 H ARG 31 4.829 10.226 9.244 253 HA ARG 31 HA ARG 31 6.934 8.321 9.520 254 HB2 ARG 31 2HB ARG 31 6.092 10.612 11.300 255 HB3 ARG 31 3HB ARG 31 7.550 9.655 11.541 256 HG2 ARG 31 2HG ARG 31 8.317 10.335 9.283 257 HG3 ARG 31 3HG ARG 31 6.898 11.372 9.148 258 HD2 ARG 31 2HD ARG 31 8.995 11.609 11.308 259 HD3 ARG 31 3HD ARG 31 8.971 12.570 9.831 260 HE ARG 31 HE ARG 31 6.696 12.657 11.696 261 HH11 ARG 31 1HH1 ARG 31 9.285 14.228 10.045 262 HH12 ARG 31 2HH1 ARG 31 8.763 15.811 10.511 263 HH21 ARG 31 1HH2 ARG 31 6.043 14.710 12.284 264 HH22 ARG 31 2HH2 ARG 31 6.965 16.078 11.764 265 H GLY 32 H GLY 32 3.749 8.207 10.657 266 HA2 GLY 32 2HA GLY 32 4.517 6.293 12.793 267 HA3 GLY 32 3HA GLY 32 3.007 7.189 12.757 268 H ILE 33 H ILE 33 4.255 5.754 9.837 269 HA ILE 33 HA ILE 33 1.778 4.334 9.488 270 HB ILE 33 HB ILE 33 2.965 5.501 7.626 271 HG12 ILE 33 2HG1 ILE 33 2.460 2.540 7.194 272 HG13 ILE 33 3HG1 ILE 33 1.238 3.809 7.168 273 HG21 ILE 33 1HG2 ILE 33 5.254 4.859 8.181 274 HG22 ILE 33 2HG2 ILE 33 4.855 4.409 6.524 275 HG23 ILE 33 3HG2 ILE 33 4.889 3.179 7.787 276 HD11 ILE 33 3HD1 ILE 33 3.525 3.522 5.231 277 HD12 ILE 33 1HD1 ILE 33 2.309 4.800 5.210 278 HD13 ILE 33 2HD1 ILE 33 1.834 3.125 4.924 279 H ASN 34 H ASN 34 1.362 2.181 9.624 280 HA ASN 34 HA ASN 34 3.618 0.340 10.154 281 HB2 ASN 34 2HB ASN 34 1.967 0.582 12.027 282 HB3 ASN 34 3HB ASN 34 0.715 -0.030 10.955 283 HD21 ASN 34 1HD2 ASN 34 1.632 -1.135 13.447 284 HD22 ASN 34 2HD2 ASN 34 2.205 -2.727 13.103 285 H LEU 35 H LEU 35 4.110 -0.715 8.326 286 HA LEU 35 HA LEU 35 2.211 -1.122 6.208 287 HB2 LEU 35 2HB LEU 35 5.040 -2.128 6.560 288 HB3 LEU 35 3HB LEU 35 4.089 -2.323 5.096 289 HG LEU 35 HG LEU 35 4.953 0.327 6.283 290 HD11 LEU 35 1HD1 LEU 35 6.447 0.473 4.356 291 HD12 LEU 35 2HD1 LEU 35 5.947 -1.138 3.837 292 HD13 LEU 35 3HD1 LEU 35 6.829 -0.934 5.351 293 HD21 LEU 35 3HD2 LEU 35 2.811 0.479 5.093 294 HD22 LEU 35 1HD2 LEU 35 3.545 -0.278 3.675 295 HD23 LEU 35 2HD2 LEU 35 4.097 1.306 4.218 296 H ARG 36 H ARG 36 3.487 -3.115 8.820 297 HA ARG 36 HA ARG 36 2.739 -5.624 7.692 298 HB2 ARG 36 2HB ARG 36 4.402 -5.259 9.585 299 HB3 ARG 36 3HB ARG 36 3.013 -5.068 10.649 300 HG2 ARG 36 2HG ARG 36 2.249 -7.324 10.038 301 HG3 ARG 36 3HG ARG 36 3.662 -7.514 9.003 302 HD2 ARG 36 2HD ARG 36 4.117 -8.628 11.067 303 HD3 ARG 36 3HD ARG 36 5.089 -7.159 11.030 304 HE ARG 36 HE ARG 36 3.929 -6.389 12.841 305 HH11 ARG 36 1HH1 ARG 36 2.175 -9.016 11.441 306 HH12 ARG 36 2HH1 ARG 36 1.005 -9.048 12.712 307 HH21 ARG 36 1HH2 ARG 36 2.454 -6.485 14.493 308 HH22 ARG 36 2HH2 ARG 36 1.168 -7.638 14.431 309 H LYS 37 H LYS 37 1.106 -3.358 9.857 310 HA LYS 37 HA LYS 37 -1.225 -4.767 10.407 311 HB2 LYS 37 2HB LYS 37 -0.681 -2.600 11.414 312 HB3 LYS 37 3HB LYS 37 -0.881 -1.805 9.864 313 HG2 LYS 37 2HG LYS 37 -3.256 -3.287 10.676 314 HG3 LYS 37 3HG LYS 37 -2.789 -2.039 11.836 315 HD2 LYS 37 2HD LYS 37 -2.615 -0.474 9.808 316 HD3 LYS 37 3HD LYS 37 -3.487 -1.726 8.918 317 HE2 LYS 37 2HE LYS 37 -5.383 -1.533 10.327 318 HE3 LYS 37 3HE LYS 37 -4.498 -0.565 11.501 319 HZ1 LYS 37 3HZ LYS 37 -4.342 1.200 9.821 320 HZ2 LYS 37 1HZ LYS 37 -5.942 0.835 10.216 321 HZ3 LYS 37 2HZ LYS 37 -5.282 0.281 8.763 322 H ILE 38 H ILE 38 -0.404 -2.829 7.549 323 HA ILE 38 HA ILE 38 -2.791 -3.272 6.103 324 HB ILE 38 HB ILE 38 0.003 -2.840 5.011 325 HG12 ILE 38 2HG1 ILE 38 -0.645 -1.043 6.541 326 HG13 ILE 38 3HG1 ILE 38 -0.636 -0.454 4.880 327 HG21 ILE 38 1HG2 ILE 38 -2.685 -2.420 3.696 328 HG22 ILE 38 2HG2 ILE 38 -1.523 -3.689 3.306 329 HG23 ILE 38 3HG2 ILE 38 -1.120 -2.000 3.000 330 HD11 ILE 38 3HD1 ILE 38 -3.067 -1.233 6.476 331 HD12 ILE 38 1HD1 ILE 38 -3.071 -0.669 4.805 332 HD13 ILE 38 2HD1 ILE 38 -2.539 0.406 6.096 333 H ALA 39 H ALA 39 0.310 -5.038 6.113 334 HA ALA 39 HA ALA 39 -0.271 -6.986 4.205 335 HB1 ALA 39 3HB ALA 39 1.964 -6.645 5.110 336 HB2 ALA 39 1HB ALA 39 1.480 -8.332 5.274 337 HB3 ALA 39 2HB ALA 39 1.444 -7.264 6.678 338 H GLU 40 H GLU 40 -1.193 -6.860 7.614 339 HA GLU 40 HA GLU 40 -2.312 -9.485 7.719 340 HB2 GLU 40 2HB GLU 40 -2.836 -7.035 9.419 341 HB3 GLU 40 3HB GLU 40 -3.476 -8.636 9.771 342 HG2 GLU 40 2HG GLU 40 -1.162 -9.484 9.943 343 HG3 GLU 40 3HG GLU 40 -0.568 -7.845 9.682 344 H LEU 41 H LEU 41 -3.611 -6.304 6.878 345 HA LEU 41 HA LEU 41 -6.326 -7.212 6.579 346 HB2 LEU 41 2HB LEU 41 -4.960 -4.715 5.560 347 HB3 LEU 41 3HB LEU 41 -6.689 -5.004 5.505 348 HG LEU 41 HG LEU 41 -5.038 -4.772 8.033 349 HD11 LEU 41 1HD1 LEU 41 -5.243 -2.630 6.882 350 HD12 LEU 41 2HD1 LEU 41 -6.199 -2.645 8.362 351 HD13 LEU 41 3HD1 LEU 41 -6.994 -2.830 6.798 352 HD21 LEU 41 3HD2 LEU 41 -8.024 -5.053 7.648 353 HD22 LEU 41 1HD2 LEU 41 -7.212 -4.741 9.182 354 HD23 LEU 41 2HD2 LEU 41 -6.940 -6.263 8.337 355 H MET 42 H MET 42 -3.527 -7.280 4.589 356 HA MET 42 HA MET 42 -5.040 -7.751 2.138 357 HB2 MET 42 2HB MET 42 -2.052 -7.840 2.631 358 HB3 MET 42 3HB MET 42 -2.834 -7.971 1.062 359 HG2 MET 42 2HG MET 42 -3.754 -5.697 1.383 360 HG3 MET 42 3HG MET 42 -2.836 -5.575 2.884 361 HE1 MET 42 3HE MET 42 -2.663 -5.880 -1.019 362 HE2 MET 42 1HE MET 42 -1.757 -7.304 -0.505 363 HE3 MET 42 2HE MET 42 -0.925 -5.968 -1.303 364 HA PRO 43 HA PRO 43 -5.059 -12.270 2.974 365 HB2 PRO 43 2HB PRO 43 -6.375 -12.750 0.570 366 HB3 PRO 43 3HB PRO 43 -7.174 -12.452 2.117 367 HG2 PRO 43 2HG PRO 43 -6.596 -10.532 -0.114 368 HG3 PRO 43 3HG PRO 43 -8.070 -10.705 0.860 369 HD2 PRO 43 2HD PRO 43 -6.349 -8.739 1.384 370 HD3 PRO 43 3HD PRO 43 -7.126 -9.630 2.709 371 H GLY 44 H GLY 44 -4.830 -13.977 0.814 372 HA2 GLY 44 2HA GLY 44 -2.045 -13.748 0.196 373 HA3 GLY 44 3HA GLY 44 -3.135 -14.999 -0.373 374 H ALA 45 H ALA 45 -2.312 -11.576 -0.914 375 HA ALA 45 HA ALA 45 -3.342 -11.648 -3.631 376 HB1 ALA 45 3HB ALA 45 -3.665 -9.653 -2.243 377 HB2 ALA 45 1HB ALA 45 -2.744 -9.283 -3.701 378 HB3 ALA 45 2HB ALA 45 -1.919 -9.432 -2.148 379 H SER 46 H SER 46 -2.127 -11.457 -5.518 380 HA SER 46 HA SER 46 0.564 -12.501 -5.430 381 HB2 SER 46 2HB SER 46 0.479 -12.427 -7.872 382 HB3 SER 46 3HB SER 46 -1.015 -13.120 -7.245 383 HG SER 46 HG SER 46 -2.079 -11.230 -7.678 384 H GLY 47 H GLY 47 2.346 -11.432 -6.726 385 HA2 GLY 47 2HA GLY 47 3.183 -9.078 -5.563 386 HA3 GLY 47 3HA GLY 47 3.786 -9.681 -7.095 387 H ALA 48 H ALA 48 1.670 -9.376 -8.783 388 HA ALA 48 HA ALA 48 1.711 -6.680 -9.494 389 HB1 ALA 48 3HB ALA 48 -0.400 -8.707 -10.245 390 HB2 ALA 48 1HB ALA 48 1.169 -8.530 -11.031 391 HB3 ALA 48 2HB ALA 48 -0.008 -7.220 -11.110 392 H GLU 49 H GLU 49 -0.738 -8.467 -7.637 393 HA GLU 49 HA GLU 49 -2.598 -6.317 -7.455 394 HB2 GLU 49 2HB GLU 49 -2.296 -8.785 -5.726 395 HB3 GLU 49 3HB GLU 49 -3.688 -7.708 -5.723 396 HG2 GLU 49 2HG GLU 49 -4.172 -8.271 -8.032 397 HG3 GLU 49 3HG GLU 49 -2.737 -9.292 -8.108 398 H VAL 50 H VAL 50 -0.117 -7.560 -5.213 399 HA VAL 50 HA VAL 50 -0.539 -5.722 -3.124 400 HB VAL 50 HB VAL 50 2.101 -6.970 -3.947 401 HG11 VAL 50 1HG1 VAL 50 1.204 -5.813 -1.302 402 HG12 VAL 50 2HG1 VAL 50 2.412 -5.127 -2.390 403 HG13 VAL 50 3HG1 VAL 50 2.724 -6.663 -1.582 404 HG21 VAL 50 3HG2 VAL 50 1.581 -8.716 -2.298 405 HG22 VAL 50 1HG2 VAL 50 0.400 -8.684 -3.606 406 HG23 VAL 50 2HG2 VAL 50 -0.007 -7.993 -2.036 407 H LYS 51 H LYS 51 1.512 -5.538 -6.012 408 HA LYS 51 HA LYS 51 2.571 -2.960 -5.603 409 HB2 LYS 51 2HB LYS 51 3.426 -4.461 -7.340 410 HB3 LYS 51 3HB LYS 51 1.887 -4.389 -8.189 411 HG2 LYS 51 2HG LYS 51 2.288 -1.890 -8.420 412 HG3 LYS 51 3HG LYS 51 3.931 -2.199 -7.858 413 HD2 LYS 51 2HD LYS 51 3.835 -2.122 -10.299 414 HD3 LYS 51 3HD LYS 51 4.284 -3.737 -9.740 415 HE2 LYS 51 2HE LYS 51 2.027 -4.535 -10.100 416 HE3 LYS 51 3HE LYS 51 1.486 -2.910 -10.518 417 HZ1 LYS 51 3HZ LYS 51 3.516 -4.432 -12.050 418 HZ2 LYS 51 1HZ LYS 51 2.808 -2.957 -12.481 419 HZ3 LYS 51 2HZ LYS 51 1.876 -4.368 -12.447 420 H GLY 52 H GLY 52 -0.442 -4.064 -7.126 421 HA2 GLY 52 2HA GLY 52 -1.444 -1.626 -8.036 422 HA3 GLY 52 3HA GLY 52 -2.429 -2.985 -7.518 423 H VAL 53 H VAL 53 -1.895 -3.135 -4.836 424 HA VAL 53 HA VAL 53 -3.477 -1.149 -3.668 425 HB VAL 53 HB VAL 53 -1.407 -2.930 -2.348 426 HG11 VAL 53 1HG1 VAL 53 -1.924 -1.019 -0.909 427 HG12 VAL 53 2HG1 VAL 53 -2.609 -2.504 -0.251 428 HG13 VAL 53 3HG1 VAL 53 -3.650 -1.344 -1.078 429 HG21 VAL 53 3HG2 VAL 53 -3.155 -4.174 -3.506 430 HG22 VAL 53 1HG2 VAL 53 -4.395 -3.245 -2.666 431 HG23 VAL 53 2HG2 VAL 53 -3.341 -4.330 -1.757 432 H CYS 54 H CYS 54 0.082 -1.452 -3.645 433 HA CYS 54 HA CYS 54 0.665 0.889 -2.212 434 HB2 CYS 54 2HB CYS 54 2.303 -0.424 -4.400 435 HB3 CYS 54 3HB CYS 54 2.910 0.753 -3.241 436 HG CYS 54 HG CYS 54 1.750 -2.372 -2.455 437 H THR 55 H THR 55 0.230 0.372 -5.689 438 HA THR 55 HA THR 55 0.886 2.997 -6.531 439 HB THR 55 HB THR 55 -0.881 0.957 -7.909 440 HG1 THR 55 HG1 THR 55 0.973 -0.047 -8.119 441 HG21 THR 55 3HG2 THR 55 0.564 3.376 -9.022 442 HG22 THR 55 1HG2 THR 55 -1.183 3.203 -8.853 443 HG23 THR 55 2HG2 THR 55 -0.298 2.171 -9.976 444 H GLU 56 H GLU 56 -2.279 1.454 -5.911 445 HA GLU 56 HA GLU 56 -3.877 3.696 -6.458 446 HB2 GLU 56 2HB GLU 56 -4.318 1.296 -4.684 447 HB3 GLU 56 3HB GLU 56 -5.543 2.542 -4.891 448 HG2 GLU 56 2HG GLU 56 -4.332 0.958 -7.153 449 HG3 GLU 56 3HG GLU 56 -5.848 0.550 -6.349 450 H ALA 57 H ALA 57 -2.324 2.666 -3.431 451 HA ALA 57 HA ALA 57 -3.284 4.640 -1.714 452 HB1 ALA 57 3HB ALA 57 -0.510 3.441 -1.777 453 HB2 ALA 57 1HB ALA 57 -1.914 2.757 -0.958 454 HB3 ALA 57 2HB ALA 57 -1.236 4.291 -0.410 455 H GLY 58 H GLY 58 -0.411 4.740 -3.836 456 HA2 GLY 58 2HA GLY 58 0.287 7.434 -3.387 457 HA3 GLY 58 3HA GLY 58 0.686 6.504 -4.823 458 H MET 59 H MET 59 -2.051 5.980 -5.596 459 HA MET 59 HA MET 59 -2.656 8.281 -7.115 460 HB2 MET 59 2HB MET 59 -4.406 5.912 -6.419 461 HB3 MET 59 3HB MET 59 -4.819 7.135 -7.610 462 HG2 MET 59 2HG MET 59 -2.237 5.692 -7.928 463 HG3 MET 59 3HG MET 59 -3.730 4.834 -8.294 464 HE1 MET 59 3HE MET 59 -2.174 8.558 -10.548 465 HE2 MET 59 1HE MET 59 -1.317 7.728 -9.252 466 HE3 MET 59 2HE MET 59 -2.744 8.695 -8.884 467 H TYR 60 H TYR 60 -4.060 7.033 -4.086 468 HA TYR 60 HA TYR 60 -6.063 8.999 -3.790 469 HB2 TYR 60 2HB TYR 60 -4.584 7.435 -1.657 470 HB3 TYR 60 3HB TYR 60 -6.047 8.376 -1.380 471 HD1 TYR 60 HD2 TYR 60 -7.836 7.719 -3.503 472 HD2 TYR 60 HD1 TYR 60 -5.049 5.167 -1.526 473 HE1 TYR 60 HE2 TYR 60 -9.193 5.764 -4.117 474 HE2 TYR 60 HE1 TYR 60 -6.401 3.210 -2.140 475 HH TYR 60 HH TYR 60 -8.780 3.289 -4.472 476 H ALA 61 H ALA 61 -2.645 8.990 -2.951 477 HA ALA 61 HA ALA 61 -2.655 11.473 -1.555 478 HB1 ALA 61 3HB ALA 61 -0.852 9.829 -1.307 479 HB2 ALA 61 1HB ALA 61 -0.228 11.404 -1.804 480 HB3 ALA 61 2HB ALA 61 -0.374 10.100 -2.982 481 H LEU 62 H LEU 62 -1.707 10.625 -4.897 482 HA LEU 62 HA LEU 62 -1.002 13.210 -5.713 483 HB2 LEU 62 2HB LEU 62 -1.994 10.890 -7.371 484 HB3 LEU 62 3HB LEU 62 -1.251 12.337 -8.030 485 HG LEU 62 HG LEU 62 0.097 10.339 -6.198 486 HD11 LEU 62 1HD1 LEU 62 0.516 10.893 -9.135 487 HD12 LEU 62 2HD1 LEU 62 -0.253 9.462 -8.447 488 HD13 LEU 62 3HD1 LEU 62 1.456 9.777 -8.143 489 HD21 LEU 62 3HD2 LEU 62 2.142 11.612 -6.618 490 HD22 LEU 62 1HD2 LEU 62 0.926 12.606 -5.817 491 HD23 LEU 62 2HD2 LEU 62 1.223 12.797 -7.545 492 H ARG 63 H ARG 63 -4.162 11.567 -5.961 493 HA ARG 63 HA ARG 63 -5.448 13.499 -7.539 494 HB2 ARG 63 2HB ARG 63 -7.568 12.576 -6.684 495 HB3 ARG 63 3HB ARG 63 -6.443 11.317 -7.176 496 HG2 ARG 63 2HG ARG 63 -5.883 10.852 -4.871 497 HG3 ARG 63 3HG ARG 63 -6.884 12.198 -4.324 498 HD2 ARG 63 2HD ARG 63 -7.952 9.823 -5.852 499 HD3 ARG 63 3HD ARG 63 -7.942 9.934 -4.092 500 HE ARG 63 HE ARG 63 -9.240 12.148 -4.665 501 HH11 ARG 63 1HH1 ARG 63 -9.610 9.042 -6.114 502 HH12 ARG 63 2HH1 ARG 63 -11.287 9.288 -6.452 503 HH21 ARG 63 1HH2 ARG 63 -11.373 12.443 -5.075 504 HH22 ARG 63 2HH2 ARG 63 -12.280 11.203 -5.870 505 H GLU 64 H GLU 64 -4.631 13.579 -4.164 506 HA GLU 64 HA GLU 64 -6.231 16.035 -3.796 507 HB2 GLU 64 2HB GLU 64 -4.932 14.206 -1.763 508 HB3 GLU 64 3HB GLU 64 -5.769 15.700 -1.361 509 HG2 GLU 64 2HG GLU 64 -7.843 14.784 -2.299 510 HG3 GLU 64 3HG GLU 64 -7.001 13.284 -2.678 511 H ARG 65 H ARG 65 -3.438 15.515 -5.064 512 HA ARG 65 HA ARG 65 -1.469 16.617 -5.317 513 HB2 ARG 65 2HB ARG 65 -2.989 18.750 -3.811 514 HB3 ARG 65 3HB ARG 65 -1.374 19.008 -4.451 515 HG2 ARG 65 2HG ARG 65 -3.862 18.390 -6.038 516 HG3 ARG 65 3HG ARG 65 -3.016 19.936 -5.953 517 HD2 ARG 65 2HD ARG 65 -0.986 18.689 -6.863 518 HD3 ARG 65 3HD ARG 65 -2.093 17.369 -7.230 519 HE ARG 65 HE ARG 65 -1.808 19.849 -8.641 520 HH11 ARG 65 1HH1 ARG 65 -4.064 17.342 -7.910 521 HH12 ARG 65 2HH1 ARG 65 -4.949 17.571 -9.374 522 HH21 ARG 65 1HH2 ARG 65 -2.929 20.112 -10.506 523 HH22 ARG 65 2HH2 ARG 65 -4.300 19.117 -10.847 524 H ARG 66 H ARG 66 -1.955 14.967 -2.802 525 HA ARG 66 HA ARG 66 -0.436 16.144 -0.696 526 HB2 ARG 66 2HB ARG 66 -0.829 13.184 -1.189 527 HB3 ARG 66 3HB ARG 66 -0.402 13.957 0.329 528 HG2 ARG 66 2HG ARG 66 -2.639 15.048 0.341 529 HG3 ARG 66 3HG ARG 66 -3.051 14.116 -1.107 530 HD2 ARG 66 2HD ARG 66 -2.356 12.052 0.265 531 HD3 ARG 66 3HD ARG 66 -2.454 13.113 1.670 532 HE ARG 66 HE ARG 66 -4.866 13.481 0.686 533 HH11 ARG 66 1HH1 ARG 66 -3.062 10.558 0.875 534 HH12 ARG 66 2HH1 ARG 66 -4.460 9.561 1.019 535 HH21 ARG 66 1HH2 ARG 66 -6.674 12.180 0.895 536 HH22 ARG 66 2HH2 ARG 66 -6.478 10.469 1.039 537 H VAL 67 H VAL 67 1.696 15.677 -0.024 538 HA VAL 67 HA VAL 67 3.482 14.555 -2.086 539 HB VAL 67 HB VAL 67 4.255 16.183 0.351 540 HG11 VAL 67 1HG1 VAL 67 6.396 16.474 -0.850 541 HG12 VAL 67 2HG1 VAL 67 5.821 15.372 -2.104 542 HG13 VAL 67 3HG1 VAL 67 6.065 14.787 -0.457 543 HG21 VAL 67 3HG2 VAL 67 4.549 18.073 -1.202 544 HG22 VAL 67 1HG2 VAL 67 2.871 17.532 -1.142 545 HG23 VAL 67 2HG2 VAL 67 3.891 17.092 -2.513 546 H HIS 68 H HIS 68 2.048 13.900 0.936 547 HA HIS 68 HA HIS 68 3.848 11.591 1.345 548 HB2 HIS 68 2HB HIS 68 2.396 13.263 3.410 549 HB3 HIS 68 3HB HIS 68 3.125 11.704 3.774 550 HD1 HIS 68 HD1 HIS 68 5.344 13.234 1.457 551 HD2 HIS 68 HD2 HIS 68 4.565 13.753 5.503 552 HE1 HIS 68 HE1 HIS 68 7.369 14.382 2.384 553 HE2 HIS 68 HE2 HIS 68 6.940 14.553 4.853 554 H VAL 69 H VAL 69 2.906 9.610 1.963 555 HA VAL 69 HA VAL 69 0.060 9.329 1.250 556 HB VAL 69 HB VAL 69 2.208 7.191 1.295 557 HG11 VAL 69 1HG1 VAL 69 -0.043 6.298 1.629 558 HG12 VAL 69 2HG1 VAL 69 0.588 5.834 0.050 559 HG13 VAL 69 3HG1 VAL 69 -0.603 7.130 0.178 560 HG21 VAL 69 3HG2 VAL 69 2.681 8.866 -0.423 561 HG22 VAL 69 1HG2 VAL 69 1.048 8.684 -1.067 562 HG23 VAL 69 2HG2 VAL 69 2.187 7.338 -1.152 563 H THR 70 H THR 70 -1.364 8.310 2.623 564 HA THR 70 HA THR 70 -0.453 7.935 5.400 565 HB THR 70 HB THR 70 -2.736 8.206 6.095 566 HG1 THR 70 HG1 THR 70 -3.453 8.195 3.327 567 HG21 THR 70 3HG2 THR 70 -2.193 10.169 3.857 568 HG22 THR 70 1HG2 THR 70 -1.590 10.300 5.509 569 HG23 THR 70 2HG2 THR 70 -3.320 10.409 5.190 570 H GLN 71 H GLN 71 -1.198 6.110 6.650 571 HA GLN 71 HA GLN 71 -1.144 3.597 5.380 572 HB2 GLN 71 2HB GLN 71 -0.606 3.812 7.738 573 HB3 GLN 71 3HB GLN 71 -2.225 4.398 8.099 574 HG2 GLN 71 2HG GLN 71 -3.150 2.215 7.458 575 HG3 GLN 71 3HG GLN 71 -1.521 1.636 7.115 576 HE21 GLN 71 1HE2 GLN 71 -0.169 1.131 8.798 577 HE22 GLN 71 2HE2 GLN 71 -0.713 1.007 10.436 578 H GLU 72 H GLU 72 -3.761 5.755 6.194 579 HA GLU 72 HA GLU 72 -5.976 4.111 5.866 580 HB2 GLU 72 2HB GLU 72 -5.714 7.044 5.152 581 HB3 GLU 72 3HB GLU 72 -7.234 6.179 5.316 582 HG2 GLU 72 2HG GLU 72 -6.985 7.352 7.322 583 HG3 GLU 72 3HG GLU 72 -6.541 5.694 7.713 584 H ASP 73 H ASP 73 -4.101 5.873 3.414 585 HA ASP 73 HA ASP 73 -5.737 5.318 1.199 586 HB2 ASP 73 2HB ASP 73 -2.723 5.631 1.238 587 HB3 ASP 73 3HB ASP 73 -3.758 5.773 -0.180 588 H PHE 74 H PHE 74 -2.974 3.494 2.519 589 HA PHE 74 HA PHE 74 -2.902 1.451 0.604 590 HB2 PHE 74 2HB PHE 74 -2.104 1.455 3.521 591 HB3 PHE 74 3HB PHE 74 -1.811 0.089 2.452 592 HD1 PHE 74 HD2 PHE 74 -0.205 0.265 0.612 593 HD2 PHE 74 HD1 PHE 74 -0.782 3.465 3.370 594 HE1 PHE 74 HE2 PHE 74 1.903 1.286 -0.136 595 HE2 PHE 74 HE1 PHE 74 1.327 4.486 2.624 596 HZ PHE 74 HZ PHE 74 2.670 3.399 0.871 597 H GLU 75 H GLU 75 -4.545 1.415 3.802 598 HA GLU 75 HA GLU 75 -5.637 -1.172 3.436 599 HB2 GLU 75 2HB GLU 75 -7.062 -0.655 5.386 600 HB3 GLU 75 3HB GLU 75 -5.365 -0.295 5.659 601 HG2 GLU 75 2HG GLU 75 -5.872 2.104 5.171 602 HG3 GLU 75 3HG GLU 75 -7.581 1.671 5.119 603 H MET 76 H MET 76 -6.905 2.031 2.628 604 HA MET 76 HA MET 76 -9.486 1.164 1.810 605 HB2 MET 76 2HB MET 76 -7.792 3.550 1.061 606 HB3 MET 76 3HB MET 76 -9.359 3.265 0.314 607 HG2 MET 76 2HG MET 76 -8.898 3.561 3.277 608 HG3 MET 76 3HG MET 76 -9.453 4.845 2.202 609 HE1 MET 76 3HE MET 76 -12.935 3.490 1.019 610 HE2 MET 76 1HE MET 76 -11.374 3.320 0.212 611 HE3 MET 76 2HE MET 76 -11.812 4.851 0.974 612 H ALA 77 H ALA 77 -6.416 1.520 0.078 613 HA ALA 77 HA ALA 77 -7.312 0.751 -2.475 614 HB1 ALA 77 3HB ALA 77 -4.962 0.338 -2.987 615 HB2 ALA 77 1HB ALA 77 -4.569 0.381 -1.266 616 HB3 ALA 77 2HB ALA 77 -5.151 1.836 -2.075 617 H VAL 78 H VAL 78 -6.137 -1.194 0.256 618 HA VAL 78 HA VAL 78 -5.898 -3.683 -0.955 619 HB VAL 78 HB VAL 78 -6.928 -3.104 1.836 620 HG11 VAL 78 1HG1 VAL 78 -7.474 -5.385 1.183 621 HG12 VAL 78 2HG1 VAL 78 -6.182 -5.387 2.382 622 HG13 VAL 78 3HG1 VAL 78 -5.804 -5.663 0.681 623 HG21 VAL 78 3HG2 VAL 78 -4.734 -2.131 1.438 624 HG22 VAL 78 1HG2 VAL 78 -4.132 -3.678 0.844 625 HG23 VAL 78 2HG2 VAL 78 -4.603 -3.503 2.537 626 H ALA 79 H ALA 79 -8.810 -2.277 0.551 627 HA ALA 79 HA ALA 79 -10.540 -4.438 0.056 628 HB1 ALA 79 3HB ALA 79 -11.254 -1.514 0.309 629 HB2 ALA 79 1HB ALA 79 -11.034 -2.636 1.651 630 HB3 ALA 79 2HB ALA 79 -12.354 -2.879 0.507 631 H LYS 80 H LYS 80 -9.811 -1.569 -1.916 632 HA LYS 80 HA LYS 80 -11.821 -2.118 -3.877 633 HB2 LYS 80 2HB LYS 80 -10.892 0.151 -3.398 634 HB3 LYS 80 3HB LYS 80 -9.382 -0.347 -4.150 635 HG2 LYS 80 2HG LYS 80 -10.530 -0.679 -6.277 636 HG3 LYS 80 3HG LYS 80 -12.066 -0.239 -5.530 637 HD2 LYS 80 2HD LYS 80 -9.650 1.563 -5.816 638 HD3 LYS 80 3HD LYS 80 -11.115 1.632 -6.798 639 HE2 LYS 80 2HE LYS 80 -10.950 2.119 -3.817 640 HE3 LYS 80 3HE LYS 80 -11.129 3.355 -5.062 641 HZ1 LYS 80 3HZ LYS 80 -13.249 2.886 -4.090 642 HZ2 LYS 80 1HZ LYS 80 -13.094 1.231 -4.391 643 HZ3 LYS 80 2HZ LYS 80 -13.255 2.314 -5.679 644 H VAL 81 H VAL 81 -8.268 -2.471 -3.913 645 HA VAL 81 HA VAL 81 -8.041 -3.591 -6.486 646 HB VAL 81 HB VAL 81 -6.213 -3.886 -4.087 647 HG11 VAL 81 1HG1 VAL 81 -4.460 -4.499 -5.713 648 HG12 VAL 81 2HG1 VAL 81 -5.675 -4.533 -6.991 649 HG13 VAL 81 3HG1 VAL 81 -5.765 -5.683 -5.657 650 HG21 VAL 81 3HG2 VAL 81 -6.509 -1.574 -4.804 651 HG22 VAL 81 1HG2 VAL 81 -6.100 -2.016 -6.461 652 HG23 VAL 81 2HG2 VAL 81 -4.882 -2.134 -5.190 653 H MET 82 H MET 82 -8.255 -5.192 -3.298 654 HA MET 82 HA MET 82 -8.268 -7.827 -4.490 655 HB2 MET 82 2HB MET 82 -8.818 -6.962 -1.645 656 HB3 MET 82 3HB MET 82 -8.623 -8.628 -2.179 657 HG2 MET 82 2HG MET 82 -6.528 -6.461 -2.227 658 HG3 MET 82 3HG MET 82 -6.586 -7.856 -1.150 659 HE1 MET 82 3HE MET 82 -5.952 -10.817 -3.655 660 HE2 MET 82 1HE MET 82 -7.526 -10.166 -3.198 661 HE3 MET 82 2HE MET 82 -6.269 -10.370 -1.978 662 H GLN 83 H GLN 83 -10.554 -5.503 -4.430 663 HA GLN 83 HA GLN 83 -12.797 -5.429 -4.820 664 HB2 GLN 83 2HB GLN 83 -12.484 -8.377 -5.446 665 HB3 GLN 83 3HB GLN 83 -13.811 -7.343 -5.956 666 HG2 GLN 83 2HG GLN 83 -12.319 -6.051 -7.357 667 HG3 GLN 83 3HG GLN 83 -10.935 -6.976 -6.777 668 HE21 GLN 83 1HE2 GLN 83 -10.375 -7.702 -8.819 669 HE22 GLN 83 2HE2 GLN 83 -11.314 -8.865 -9.682 670 H LYS 84 H LYS 84 -11.837 -6.068 -2.122 671 HA LYS 84 HA LYS 84 -13.668 -8.089 -1.084 672 HB2 LYS 84 2HB LYS 84 -11.086 -7.572 -0.486 673 HB3 LYS 84 3HB LYS 84 -11.856 -6.578 0.740 674 HG2 LYS 84 2HG LYS 84 -12.301 -9.537 0.337 675 HG3 LYS 84 3HG LYS 84 -11.277 -8.809 1.572 676 HD2 LYS 84 2HD LYS 84 -14.260 -8.379 1.319 677 HD3 LYS 84 3HD LYS 84 -13.494 -9.516 2.427 678 HE2 LYS 84 2HE LYS 84 -12.313 -7.627 3.503 679 HE3 LYS 84 3HE LYS 84 -13.156 -6.510 2.427 680 HZ1 LYS 84 3HZ LYS 84 -15.260 -7.317 3.358 681 HZ2 LYS 84 1HZ LYS 84 -14.270 -6.618 4.538 682 HZ3 LYS 84 2HZ LYS 84 -14.408 -8.301 4.436 683 H ASP 85 H ASP 85 -15.694 -7.349 -0.761 684 HA ASP 85 HA ASP 85 -16.075 -4.804 0.678 685 HB2 ASP 85 2HB ASP 85 -17.259 -5.213 -1.527 686 HB3 ASP 85 3HB ASP 85 -18.177 -6.481 -0.723 687 H SER 86 H SER 86 -18.286 -5.058 2.110 688 HA SER 86 HA SER 86 -17.477 -6.741 4.273 689 HB2 SER 86 2HB SER 86 -18.516 -4.580 4.699 690 HB3 SER 86 3HB SER 86 -20.002 -5.107 3.910 691 HG SER 86 HG SER 86 -20.469 -6.383 5.586 Start of MODEL 16 1 H1 MET 1 1H MET 1 20.937 -15.873 -4.954 2 H2 MET 1 2H MET 1 21.434 -14.915 -3.655 3 H3 MET 1 3H MET 1 22.534 -15.323 -4.871 4 HA MET 1 HA MET 1 20.126 -13.612 -5.191 5 HB2 MET 1 2HB MET 1 21.706 -11.773 -5.553 6 HB3 MET 1 3HB MET 1 21.938 -12.494 -3.967 7 HG2 MET 1 2HG MET 1 23.912 -13.627 -4.681 8 HG3 MET 1 3HG MET 1 23.629 -13.180 -6.363 9 HE1 MET 1 3HE MET 1 24.310 -9.347 -6.354 10 HE2 MET 1 1HE MET 1 22.744 -10.133 -6.139 11 HE3 MET 1 2HE MET 1 23.893 -10.761 -7.322 12 H GLY 2 H GLY 2 20.120 -12.442 -7.309 13 HA2 GLY 2 2HA GLY 2 21.622 -12.747 -9.506 14 HA3 GLY 2 3HA GLY 2 20.793 -14.294 -9.466 15 H HIS 3 H HIS 3 20.554 -12.525 -11.606 16 HA HIS 3 HA HIS 3 18.111 -11.009 -11.383 17 HB2 HIS 3 2HB HIS 3 19.795 -11.782 -13.781 18 HB3 HIS 3 3HB HIS 3 18.390 -10.722 -13.864 19 HD1 HIS 3 HD1 HIS 3 21.979 -10.652 -13.398 20 HD2 HIS 3 HD2 HIS 3 18.766 -8.289 -12.230 21 HE1 HIS 3 HE1 HIS 3 22.970 -8.438 -12.758 22 HE2 HIS 3 HE2 HIS 3 21.017 -7.041 -12.007 23 H HIS 4 H HIS 4 17.399 -13.428 -10.508 24 HA HIS 4 HA HIS 4 15.379 -14.203 -12.401 25 HB2 HIS 4 2HB HIS 4 15.945 -16.644 -12.336 26 HB3 HIS 4 3HB HIS 4 17.101 -15.664 -13.224 27 HD1 HIS 4 HD1 HIS 4 16.768 -17.808 -10.190 28 HD2 HIS 4 HD2 HIS 4 19.672 -15.493 -12.062 29 HE1 HIS 4 HE1 HIS 4 18.941 -18.453 -9.112 30 HE2 HIS 4 HE2 HIS 4 20.695 -17.168 -10.377 31 H HIS 5 H HIS 5 14.165 -13.262 -10.643 32 HA HIS 5 HA HIS 5 13.907 -14.918 -8.239 33 HB2 HIS 5 2HB HIS 5 12.575 -12.308 -9.021 34 HB3 HIS 5 3HB HIS 5 12.292 -13.155 -7.502 35 HD1 HIS 5 HD1 HIS 5 13.924 -12.725 -5.630 36 HD2 HIS 5 HD2 HIS 5 15.264 -11.271 -9.290 37 HE1 HIS 5 HE1 HIS 5 15.965 -11.359 -5.111 38 HE2 HIS 5 HE2 HIS 5 16.671 -10.382 -7.312 39 H HIS 6 H HIS 6 11.927 -15.937 -7.670 40 HA HIS 6 HA HIS 6 10.191 -16.466 -9.998 41 HB2 HIS 6 2HB HIS 6 9.817 -18.733 -9.025 42 HB3 HIS 6 3HB HIS 6 11.475 -18.433 -9.524 43 HD1 HIS 6 HD1 HIS 6 13.256 -18.202 -7.635 44 HD2 HIS 6 HD2 HIS 6 9.457 -19.239 -6.321 45 HE1 HIS 6 HE1 HIS 6 13.561 -19.025 -5.286 46 HE2 HIS 6 HE2 HIS 6 11.295 -19.890 -4.626 47 H HIS 7 H HIS 7 8.003 -16.936 -9.643 48 HA HIS 7 HA HIS 7 6.611 -15.113 -8.112 49 HB2 HIS 7 2HB HIS 7 4.608 -16.529 -8.602 50 HB3 HIS 7 3HB HIS 7 5.603 -16.194 -10.015 51 HD1 HIS 7 HD1 HIS 7 6.580 -18.170 -11.248 52 HD2 HIS 7 HD2 HIS 7 4.811 -19.250 -7.644 53 HE1 HIS 7 HE1 HIS 7 6.583 -20.678 -11.223 54 HE2 HIS 7 HE2 HIS 7 5.663 -21.304 -8.967 55 H HIS 8 H HIS 8 5.540 -15.108 -6.179 56 HA HIS 8 HA HIS 8 5.909 -17.409 -4.372 57 HB2 HIS 8 2HB HIS 8 5.367 -14.482 -3.801 58 HB3 HIS 8 3HB HIS 8 5.247 -15.732 -2.569 59 HD1 HIS 8 HD1 HIS 8 7.370 -16.538 -1.511 60 HD2 HIS 8 HD2 HIS 8 8.058 -14.042 -4.761 61 HE1 HIS 8 HE1 HIS 8 9.826 -16.027 -1.455 62 HE2 HIS 8 HE2 HIS 8 10.191 -14.401 -3.333 63 H SER 9 H SER 9 4.208 -18.745 -4.404 64 HA SER 9 HA SER 9 1.587 -17.890 -5.246 65 HB2 SER 9 2HB SER 9 2.406 -20.144 -5.801 66 HB3 SER 9 3HB SER 9 2.476 -20.549 -4.088 67 HG SER 9 HG SER 9 0.470 -20.977 -5.594 68 H HIS 10 H HIS 10 0.268 -16.797 -3.937 69 HA HIS 10 HA HIS 10 -0.701 -15.925 -2.071 70 HB2 HIS 10 2HB HIS 10 -0.409 -18.774 -1.074 71 HB3 HIS 10 3HB HIS 10 -1.450 -17.548 -0.358 72 HD1 HIS 10 HD1 HIS 10 -3.802 -17.723 -1.094 73 HD2 HIS 10 HD2 HIS 10 -1.187 -19.160 -3.988 74 HE1 HIS 10 HE1 HIS 10 -5.252 -18.493 -2.988 75 HE2 HIS 10 HE2 HIS 10 -3.649 -19.248 -4.770 76 HA PRO 11 HA PRO 11 3.610 -15.500 -0.276 77 HB2 PRO 11 2HB PRO 11 3.387 -12.740 -0.035 78 HB3 PRO 11 3HB PRO 11 4.092 -13.584 -1.417 79 HG2 PRO 11 2HG PRO 11 1.334 -12.472 -1.077 80 HG3 PRO 11 3HG PRO 11 2.391 -12.443 -2.502 81 HD2 PRO 11 2HD PRO 11 0.348 -14.172 -2.321 82 HD3 PRO 11 3HD PRO 11 1.889 -14.648 -3.068 83 H ASN 12 H ASN 12 3.852 -15.881 1.822 84 HA ASN 12 HA ASN 12 1.895 -15.523 3.792 85 HB2 ASN 12 2HB ASN 12 4.893 -15.801 4.159 86 HB3 ASN 12 3HB ASN 12 3.669 -16.095 5.393 87 HD21 ASN 12 1HD2 ASN 12 4.270 -18.239 5.660 88 HD22 ASN 12 2HD2 ASN 12 3.917 -19.449 4.479 89 H GLU 13 H GLU 13 2.580 -14.260 5.967 90 HA GLU 13 HA GLU 13 2.026 -11.587 5.430 91 HB2 GLU 13 2HB GLU 13 1.537 -12.654 7.578 92 HB3 GLU 13 3HB GLU 13 3.256 -12.765 7.930 93 HG2 GLU 13 2HG GLU 13 3.425 -10.340 7.990 94 HG3 GLU 13 3HG GLU 13 1.720 -10.197 7.559 95 H GLU 14 H GLU 14 5.144 -12.842 6.688 96 HA GLU 14 HA GLU 14 6.581 -10.452 6.351 97 HB2 GLU 14 2HB GLU 14 7.495 -13.327 6.474 98 HB3 GLU 14 3HB GLU 14 8.620 -11.980 6.384 99 HG2 GLU 14 2HG GLU 14 6.576 -12.382 8.561 100 HG3 GLU 14 3HG GLU 14 8.278 -12.826 8.672 101 H ALA 15 H ALA 15 5.770 -12.955 4.053 102 HA ALA 15 HA ALA 15 7.752 -12.309 2.104 103 HB1 ALA 15 3HB ALA 15 6.458 -13.724 0.596 104 HB2 ALA 15 1HB ALA 15 5.116 -13.737 1.741 105 HB3 ALA 15 2HB ALA 15 6.649 -14.494 2.171 106 H ARG 16 H ARG 16 4.263 -11.537 2.308 107 HA ARG 16 HA ARG 16 4.296 -9.804 0.039 108 HB2 ARG 16 2HB ARG 16 2.031 -9.246 0.617 109 HB3 ARG 16 3HB ARG 16 2.252 -10.967 0.906 110 HG2 ARG 16 2HG ARG 16 2.608 -10.424 3.331 111 HG3 ARG 16 3HG ARG 16 2.140 -8.765 2.961 112 HD2 ARG 16 2HD ARG 16 0.197 -9.843 3.788 113 HD3 ARG 16 3HD ARG 16 -0.020 -9.698 2.043 114 HE ARG 16 HE ARG 16 0.962 -12.136 2.162 115 HH11 ARG 16 1HH1 ARG 16 -1.396 -10.660 4.192 116 HH12 ARG 16 2HH1 ARG 16 -2.154 -12.160 4.586 117 HH21 ARG 16 1HH2 ARG 16 -0.020 -14.052 2.659 118 HH22 ARG 16 2HH2 ARG 16 -1.384 -14.073 3.728 119 H LEU 17 H LEU 17 4.711 -9.331 3.500 120 HA LEU 17 HA LEU 17 4.623 -6.517 3.574 121 HB2 LEU 17 2HB LEU 17 4.538 -7.933 5.579 122 HB3 LEU 17 3HB LEU 17 6.190 -8.449 5.298 123 HG LEU 17 HG LEU 17 6.975 -6.146 5.695 124 HD11 LEU 17 1HD1 LEU 17 4.082 -5.555 6.306 125 HD12 LEU 17 2HD1 LEU 17 5.025 -4.909 4.963 126 HD13 LEU 17 3HD1 LEU 17 5.438 -4.470 6.620 127 HD21 LEU 17 3HD2 LEU 17 6.533 -6.077 8.109 128 HD22 LEU 17 1HD2 LEU 17 6.920 -7.706 7.556 129 HD23 LEU 17 2HD2 LEU 17 5.246 -7.265 7.901 130 H ASP 18 H ASP 18 7.308 -8.773 3.001 131 HA ASP 18 HA ASP 18 9.420 -6.965 2.779 132 HB2 ASP 18 2HB ASP 18 9.565 -9.479 2.780 133 HB3 ASP 18 3HB ASP 18 9.011 -9.467 1.110 134 H ILE 19 H ILE 19 7.162 -8.106 0.279 135 HA ILE 19 HA ILE 19 8.094 -6.654 -1.921 136 HB ILE 19 HB ILE 19 5.189 -7.264 -1.310 137 HG12 ILE 19 2HG1 ILE 19 7.192 -9.019 -2.762 138 HG13 ILE 19 3HG1 ILE 19 6.662 -9.275 -1.102 139 HG21 ILE 19 1HG2 ILE 19 5.536 -5.721 -3.190 140 HG22 ILE 19 2HG2 ILE 19 4.888 -7.269 -3.729 141 HG23 ILE 19 3HG2 ILE 19 6.597 -6.902 -3.961 142 HD11 ILE 19 3HD1 ILE 19 4.354 -9.561 -1.908 143 HD12 ILE 19 1HD1 ILE 19 5.472 -10.747 -2.586 144 HD13 ILE 19 2HD1 ILE 19 4.937 -9.382 -3.566 145 H LEU 20 H LEU 20 5.573 -5.770 0.437 146 HA LEU 20 HA LEU 20 4.915 -3.240 -0.486 147 HB2 LEU 20 2HB LEU 20 4.996 -4.332 2.327 148 HB3 LEU 20 3HB LEU 20 4.279 -2.783 1.916 149 HG LEU 20 HG LEU 20 3.353 -5.363 0.649 150 HD11 LEU 20 1HD1 LEU 20 1.525 -5.406 2.259 151 HD12 LEU 20 2HD1 LEU 20 2.235 -4.038 3.119 152 HD13 LEU 20 3HD1 LEU 20 3.084 -5.584 3.062 153 HD21 LEU 20 3HD2 LEU 20 2.038 -2.660 0.961 154 HD22 LEU 20 1HD2 LEU 20 1.332 -4.075 0.178 155 HD23 LEU 20 2HD2 LEU 20 2.753 -3.299 -0.519 156 H LYS 21 H LYS 21 7.461 -4.121 1.853 157 HA LYS 21 HA LYS 21 8.415 -1.555 2.423 158 HB2 LYS 21 2HB LYS 21 9.908 -4.185 2.312 159 HB3 LYS 21 3HB LYS 21 10.567 -2.707 2.997 160 HG2 LYS 21 2HG LYS 21 8.840 -2.691 4.706 161 HG3 LYS 21 3HG LYS 21 8.096 -4.127 3.994 162 HD2 LYS 21 2HD LYS 21 10.098 -5.433 4.480 163 HD3 LYS 21 3HD LYS 21 10.904 -3.998 5.117 164 HE2 LYS 21 2HE LYS 21 8.375 -5.186 6.261 165 HE3 LYS 21 3HE LYS 21 9.994 -5.522 6.869 166 HZ1 LYS 21 3HZ LYS 21 8.774 -2.816 6.746 167 HZ2 LYS 21 1HZ LYS 21 10.260 -3.226 7.440 168 HZ3 LYS 21 2HZ LYS 21 8.823 -3.788 8.128 169 H ILE 22 H ILE 22 9.094 -3.665 -0.309 170 HA ILE 22 HA ILE 22 11.328 -2.157 -1.294 171 HB ILE 22 HB ILE 22 9.624 -4.265 -2.650 172 HG12 ILE 22 2HG1 ILE 22 12.380 -4.428 -1.386 173 HG13 ILE 22 3HG1 ILE 22 10.894 -5.065 -0.688 174 HG21 ILE 22 1HG2 ILE 22 12.244 -3.061 -3.563 175 HG22 ILE 22 2HG2 ILE 22 10.673 -2.848 -4.334 176 HG23 ILE 22 3HG2 ILE 22 11.433 -4.439 -4.311 177 HD11 ILE 22 3HD1 ILE 22 12.225 -6.827 -1.697 178 HD12 ILE 22 1HD1 ILE 22 12.180 -5.995 -3.251 179 HD13 ILE 22 2HD1 ILE 22 10.694 -6.634 -2.549 180 H HIS 23 H HIS 23 7.871 -2.274 -2.155 181 HA HIS 23 HA HIS 23 8.263 -0.432 -4.362 182 HB2 HIS 23 2HB HIS 23 5.762 -1.661 -3.195 183 HB3 HIS 23 3HB HIS 23 5.763 -0.577 -4.581 184 HD1 HIS 23 HD1 HIS 23 6.308 -1.587 -6.841 185 HD2 HIS 23 HD2 HIS 23 7.050 -4.197 -3.696 186 HE1 HIS 23 HE1 HIS 23 6.767 -3.815 -7.900 187 HE2 HIS 23 HE2 HIS 23 7.398 -5.318 -5.989 188 H SER 24 H SER 24 6.845 -0.239 -1.103 189 HA SER 24 HA SER 24 5.673 2.320 -1.427 190 HB2 SER 24 2HB SER 24 5.417 2.337 1.006 191 HB3 SER 24 3HB SER 24 5.007 0.745 0.366 192 HG SER 24 HG SER 24 6.619 -0.088 1.430 193 H ARG 25 H ARG 25 8.927 1.345 -0.609 194 HA ARG 25 HA ARG 25 9.800 3.742 0.604 195 HB2 ARG 25 2HB ARG 25 12.064 2.917 0.220 196 HB3 ARG 25 3HB ARG 25 11.026 1.626 0.801 197 HG2 ARG 25 2HG ARG 25 10.810 0.800 -1.521 198 HG3 ARG 25 3HG ARG 25 11.933 2.058 -2.045 199 HD2 ARG 25 2HD ARG 25 13.675 1.126 -0.624 200 HD3 ARG 25 3HD ARG 25 12.557 -0.091 -0.012 201 HE ARG 25 HE ARG 25 12.948 -0.111 -2.877 202 HH11 ARG 25 1HH1 ARG 25 13.896 -1.396 0.175 203 HH12 ARG 25 2HH1 ARG 25 14.653 -2.787 -0.523 204 HH21 ARG 25 1HH2 ARG 25 13.927 -1.883 -3.764 205 HH22 ARG 25 2HH2 ARG 25 14.682 -3.049 -2.735 206 H LYS 26 H LYS 26 8.894 3.184 -2.592 207 HA LYS 26 HA LYS 26 10.592 5.246 -3.746 208 HB2 LYS 26 2HB LYS 26 8.344 3.586 -4.904 209 HB3 LYS 26 3HB LYS 26 9.238 4.794 -5.819 210 HG2 LYS 26 2HG LYS 26 10.447 2.349 -4.519 211 HG3 LYS 26 3HG LYS 26 10.040 2.501 -6.229 212 HD2 LYS 26 2HD LYS 26 12.039 4.217 -4.734 213 HD3 LYS 26 3HD LYS 26 12.440 2.885 -5.821 214 HE2 LYS 26 2HE LYS 26 11.473 4.066 -7.695 215 HE3 LYS 26 3HE LYS 26 10.902 5.353 -6.636 216 HZ1 LYS 26 3HZ LYS 26 13.744 4.683 -7.189 217 HZ2 LYS 26 1HZ LYS 26 13.214 5.890 -6.130 218 HZ3 LYS 26 2HZ LYS 26 12.896 6.021 -7.783 219 H MET 27 H MET 27 7.939 5.376 -1.805 220 HA MET 27 HA MET 27 6.999 7.904 -3.023 221 HB2 MET 27 2HB MET 27 5.362 5.883 -1.471 222 HB3 MET 27 3HB MET 27 4.775 7.447 -2.019 223 HG2 MET 27 2HG MET 27 5.171 6.739 -4.352 224 HG3 MET 27 3HG MET 27 5.665 5.153 -3.760 225 HE1 MET 27 3HE MET 27 3.592 4.807 -1.294 226 HE2 MET 27 1HE MET 27 4.002 3.507 -2.414 227 HE3 MET 27 2HE MET 27 2.312 3.894 -2.092 228 H ASN 28 H ASN 28 6.146 9.492 -1.480 229 HA ASN 28 HA ASN 28 7.775 9.703 0.890 230 HB2 ASN 28 2HB ASN 28 5.485 11.476 -0.007 231 HB3 ASN 28 3HB ASN 28 6.697 11.874 1.206 232 HD21 ASN 28 1HD2 ASN 28 6.013 13.253 -1.244 233 HD22 ASN 28 2HD2 ASN 28 7.463 13.325 -2.180 234 H LEU 29 H LEU 29 7.180 8.142 2.384 235 HA LEU 29 HA LEU 29 4.387 7.626 2.964 236 HB2 LEU 29 2HB LEU 29 6.879 6.531 4.283 237 HB3 LEU 29 3HB LEU 29 5.247 5.938 4.528 238 HG LEU 29 HG LEU 29 6.813 5.807 1.943 239 HD11 LEU 29 1HD1 LEU 29 7.617 4.238 3.637 240 HD12 LEU 29 2HD1 LEU 29 6.821 3.397 2.308 241 HD13 LEU 29 3HD1 LEU 29 5.980 3.611 3.845 242 HD21 LEU 29 3HD2 LEU 29 4.434 6.118 1.509 243 HD22 LEU 29 1HD2 LEU 29 4.047 4.773 2.583 244 HD23 LEU 29 2HD2 LEU 29 4.939 4.482 1.089 245 H THR 30 H THR 30 3.328 7.972 4.930 246 HA THR 30 HA THR 30 4.027 10.222 6.497 247 HB THR 30 HB THR 30 1.706 9.526 6.398 248 HG1 THR 30 HG1 THR 30 1.333 9.301 8.766 249 HG21 THR 30 3HG2 THR 30 0.904 7.471 7.450 250 HG22 THR 30 1HG2 THR 30 2.560 7.018 7.848 251 HG23 THR 30 2HG2 THR 30 2.051 7.107 6.160 252 H ARG 31 H ARG 31 4.836 10.366 8.639 253 HA ARG 31 HA ARG 31 6.889 8.506 9.251 254 HB2 ARG 31 2HB ARG 31 7.118 9.844 11.391 255 HB3 ARG 31 3HB ARG 31 7.309 10.725 9.888 256 HG2 ARG 31 2HG ARG 31 6.065 12.102 11.359 257 HG3 ARG 31 3HG ARG 31 4.942 11.512 10.136 258 HD2 ARG 31 2HD ARG 31 4.052 11.505 12.480 259 HD3 ARG 31 3HD ARG 31 3.989 9.941 11.665 260 HE ARG 31 HE ARG 31 6.385 10.139 13.134 261 HH11 ARG 31 1HH1 ARG 31 2.995 9.864 13.676 262 HH12 ARG 31 2HH1 ARG 31 3.194 8.941 15.125 263 HH21 ARG 31 1HH2 ARG 31 6.627 8.965 14.989 264 HH22 ARG 31 2HH2 ARG 31 5.229 8.458 15.870 265 H GLY 32 H GLY 32 3.573 8.475 10.002 266 HA2 GLY 32 2HA GLY 32 4.013 6.347 12.028 267 HA3 GLY 32 3HA GLY 32 2.621 7.422 12.035 268 H ILE 33 H ILE 33 4.173 4.756 10.313 269 HA ILE 33 HA ILE 33 1.564 4.046 9.152 270 HB ILE 33 HB ILE 33 2.937 5.266 7.470 271 HG12 ILE 33 2HG1 ILE 33 2.428 2.344 6.847 272 HG13 ILE 33 3HG1 ILE 33 1.249 3.649 6.746 273 HG21 ILE 33 1HG2 ILE 33 4.912 4.197 6.487 274 HG22 ILE 33 2HG2 ILE 33 4.822 2.920 7.701 275 HG23 ILE 33 3HG2 ILE 33 5.160 4.580 8.190 276 HD11 ILE 33 3HD1 ILE 33 2.060 3.048 4.552 277 HD12 ILE 33 1HD1 ILE 33 3.721 3.357 5.056 278 HD13 ILE 33 2HD1 ILE 33 2.566 4.687 4.962 279 H ASN 34 H ASN 34 1.117 1.884 9.077 280 HA ASN 34 HA ASN 34 3.281 -0.002 9.771 281 HB2 ASN 34 2HB ASN 34 1.725 0.300 11.665 282 HB3 ASN 34 3HB ASN 34 0.383 -0.197 10.636 283 HD21 ASN 34 1HD2 ASN 34 -0.087 -1.960 11.969 284 HD22 ASN 34 2HD2 ASN 34 0.919 -3.365 12.016 285 H LEU 35 H LEU 35 3.722 -0.738 7.737 286 HA LEU 35 HA LEU 35 1.810 -1.339 5.747 287 HB2 LEU 35 2HB LEU 35 4.622 -2.390 6.100 288 HB3 LEU 35 3HB LEU 35 3.666 -2.555 4.638 289 HG LEU 35 HG LEU 35 4.596 0.067 5.831 290 HD11 LEU 35 1HD1 LEU 35 6.442 -1.233 4.903 291 HD12 LEU 35 2HD1 LEU 35 6.095 0.180 3.905 292 HD13 LEU 35 3HD1 LEU 35 5.560 -1.419 3.385 293 HD21 LEU 35 3HD2 LEU 35 3.765 1.070 3.763 294 HD22 LEU 35 1HD2 LEU 35 2.461 0.275 4.645 295 HD23 LEU 35 2HD2 LEU 35 3.167 -0.500 3.228 296 H ARG 36 H ARG 36 2.968 -3.174 8.467 297 HA ARG 36 HA ARG 36 2.349 -5.778 7.542 298 HB2 ARG 36 2HB ARG 36 3.804 -5.262 9.510 299 HB3 ARG 36 3HB ARG 36 2.363 -4.807 10.411 300 HG2 ARG 36 2HG ARG 36 1.503 -7.068 10.249 301 HG3 ARG 36 3HG ARG 36 2.871 -7.544 9.240 302 HD2 ARG 36 2HD ARG 36 4.391 -6.967 11.118 303 HD3 ARG 36 3HD ARG 36 2.973 -6.642 12.119 304 HE ARG 36 HE ARG 36 2.589 -9.182 11.189 305 HH11 ARG 36 1HH1 ARG 36 5.094 -7.601 12.948 306 HH12 ARG 36 2HH1 ARG 36 5.571 -9.046 13.768 307 HH21 ARG 36 1HH2 ARG 36 3.237 -11.024 12.225 308 HH22 ARG 36 2HH2 ARG 36 4.529 -10.955 13.371 309 H LYS 37 H LYS 37 0.432 -3.411 9.402 310 HA LYS 37 HA LYS 37 -1.853 -4.970 9.838 311 HB2 LYS 37 2HB LYS 37 -1.366 -2.729 10.845 312 HB3 LYS 37 3HB LYS 37 -1.765 -1.988 9.307 313 HG2 LYS 37 2HG LYS 37 -3.815 -3.753 10.518 314 HG3 LYS 37 3HG LYS 37 -3.502 -2.213 11.313 315 HD2 LYS 37 2HD LYS 37 -3.822 -1.130 9.026 316 HD3 LYS 37 3HD LYS 37 -4.452 -2.690 8.488 317 HE2 LYS 37 2HE LYS 37 -6.218 -2.610 10.112 318 HE3 LYS 37 3HE LYS 37 -5.522 -1.176 10.864 319 HZ1 LYS 37 3HZ LYS 37 -7.385 -0.572 9.491 320 HZ2 LYS 37 1HZ LYS 37 -6.698 -1.324 8.143 321 HZ3 LYS 37 2HZ LYS 37 -5.970 0.047 8.808 322 H ILE 38 H ILE 38 -0.938 -2.961 7.083 323 HA ILE 38 HA ILE 38 -3.243 -3.364 5.503 324 HB ILE 38 HB ILE 38 -0.414 -2.930 4.509 325 HG12 ILE 38 2HG1 ILE 38 -0.947 -1.215 6.153 326 HG13 ILE 38 3HG1 ILE 38 -0.970 -0.508 4.542 327 HG21 ILE 38 1HG2 ILE 38 -1.989 -3.588 2.755 328 HG22 ILE 38 2HG2 ILE 38 -1.489 -1.909 2.557 329 HG23 ILE 38 3HG2 ILE 38 -3.076 -2.280 3.231 330 HD11 ILE 38 3HD1 ILE 38 -3.379 -1.312 6.162 331 HD12 ILE 38 1HD1 ILE 38 -3.417 -0.617 4.541 332 HD13 ILE 38 2HD1 ILE 38 -2.796 0.329 5.892 333 H ALA 39 H ALA 39 -0.172 -5.135 5.735 334 HA ALA 39 HA ALA 39 -0.596 -7.023 3.714 335 HB1 ALA 39 3HB ALA 39 1.142 -8.329 4.789 336 HB2 ALA 39 1HB ALA 39 0.945 -7.413 6.285 337 HB3 ALA 39 2HB ALA 39 1.568 -6.619 4.838 338 H GLU 40 H GLU 40 -1.631 -7.046 7.099 339 HA GLU 40 HA GLU 40 -2.663 -9.692 7.128 340 HB2 GLU 40 2HB GLU 40 -3.425 -7.296 8.820 341 HB3 GLU 40 3HB GLU 40 -3.912 -8.954 9.145 342 HG2 GLU 40 2HG GLU 40 -1.565 -9.588 9.426 343 HG3 GLU 40 3HG GLU 40 -1.082 -7.921 9.112 344 H LEU 41 H LEU 41 -3.929 -6.671 5.957 345 HA LEU 41 HA LEU 41 -6.675 -7.550 5.807 346 HB2 LEU 41 2HB LEU 41 -5.283 -5.158 4.593 347 HB3 LEU 41 3HB LEU 41 -7.015 -5.434 4.546 348 HG LEU 41 HG LEU 41 -5.387 -5.026 7.065 349 HD11 LEU 41 1HD1 LEU 41 -6.520 -2.857 7.202 350 HD12 LEU 41 2HD1 LEU 41 -7.270 -3.149 5.633 351 HD13 LEU 41 3HD1 LEU 41 -5.518 -2.981 5.756 352 HD21 LEU 41 3HD2 LEU 41 -7.565 -4.867 8.183 353 HD22 LEU 41 1HD2 LEU 41 -7.330 -6.451 7.446 354 HD23 LEU 41 2HD2 LEU 41 -8.374 -5.262 6.666 355 H MET 42 H MET 42 -4.011 -8.388 4.051 356 HA MET 42 HA MET 42 -5.587 -8.861 1.593 357 HB2 MET 42 2HB MET 42 -2.582 -8.545 1.828 358 HB3 MET 42 3HB MET 42 -3.477 -8.828 0.343 359 HG2 MET 42 2HG MET 42 -4.607 -6.671 0.617 360 HG3 MET 42 3HG MET 42 -3.688 -6.387 2.094 361 HE1 MET 42 3HE MET 42 -1.811 -6.642 -2.115 362 HE2 MET 42 1HE MET 42 -3.534 -6.817 -1.790 363 HE3 MET 42 2HE MET 42 -2.406 -8.063 -1.256 364 HA PRO 43 HA PRO 43 -4.404 -13.055 3.211 365 HB2 PRO 43 2HB PRO 43 -6.852 -14.152 3.344 366 HB3 PRO 43 3HB PRO 43 -6.240 -13.097 4.625 367 HG2 PRO 43 2HG PRO 43 -8.150 -12.472 2.404 368 HG3 PRO 43 3HG PRO 43 -8.201 -11.963 4.101 369 HD2 PRO 43 2HD PRO 43 -7.268 -10.399 2.015 370 HD3 PRO 43 3HD PRO 43 -6.827 -10.173 3.719 371 H GLY 44 H GLY 44 -3.430 -13.924 1.425 372 HA2 GLY 44 2HA GLY 44 -3.297 -15.311 -0.425 373 HA3 GLY 44 3HA GLY 44 -5.050 -15.377 -0.459 374 H ALA 45 H ALA 45 -2.731 -12.686 -0.810 375 HA ALA 45 HA ALA 45 -3.942 -12.079 -3.439 376 HB1 ALA 45 3HB ALA 45 -4.362 -10.344 -1.758 377 HB2 ALA 45 1HB ALA 45 -3.331 -9.744 -3.057 378 HB3 ALA 45 2HB ALA 45 -2.625 -10.173 -1.500 379 H SER 46 H SER 46 -2.610 -11.976 -5.197 380 HA SER 46 HA SER 46 0.043 -13.039 -4.973 381 HB2 SER 46 2HB SER 46 0.128 -12.917 -7.387 382 HB3 SER 46 3HB SER 46 -1.487 -13.455 -6.925 383 HG SER 46 HG SER 46 -2.257 -11.764 -7.896 384 H GLY 47 H GLY 47 1.889 -11.968 -6.277 385 HA2 GLY 47 2HA GLY 47 2.703 -9.602 -5.029 386 HA3 GLY 47 3HA GLY 47 3.418 -10.264 -6.491 387 H ALA 48 H ALA 48 0.989 -10.063 -8.074 388 HA ALA 48 HA ALA 48 1.214 -7.417 -9.044 389 HB1 ALA 48 3HB ALA 48 -0.981 -9.429 -9.553 390 HB2 ALA 48 1HB ALA 48 0.526 -9.291 -10.457 391 HB3 ALA 48 2HB ALA 48 -0.657 -7.984 -10.510 392 H GLU 49 H GLU 49 -1.079 -8.946 -6.845 393 HA GLU 49 HA GLU 49 -2.874 -6.735 -6.666 394 HB2 GLU 49 2HB GLU 49 -2.412 -8.957 -4.661 395 HB3 GLU 49 3HB GLU 49 -3.821 -7.908 -4.747 396 HG2 GLU 49 2HG GLU 49 -2.978 -9.905 -6.847 397 HG3 GLU 49 3HG GLU 49 -4.266 -10.128 -5.666 398 H VAL 50 H VAL 50 -0.178 -7.875 -4.641 399 HA VAL 50 HA VAL 50 -0.225 -5.845 -2.700 400 HB VAL 50 HB VAL 50 2.194 -7.321 -3.780 401 HG11 VAL 50 1HG1 VAL 50 1.801 -5.848 -1.172 402 HG12 VAL 50 2HG1 VAL 50 2.863 -5.374 -2.499 403 HG13 VAL 50 3HG1 VAL 50 3.201 -6.840 -1.578 404 HG21 VAL 50 3HG2 VAL 50 1.852 -8.884 -1.924 405 HG22 VAL 50 1HG2 VAL 50 0.456 -8.861 -3.003 406 HG23 VAL 50 2HG2 VAL 50 0.390 -8.017 -1.456 407 H LYS 51 H LYS 51 1.423 -6.014 -5.836 408 HA LYS 51 HA LYS 51 2.698 -3.511 -5.775 409 HB2 LYS 51 2HB LYS 51 3.215 -5.253 -7.423 410 HB3 LYS 51 3HB LYS 51 1.617 -5.072 -8.133 411 HG2 LYS 51 2HG LYS 51 2.163 -2.814 -8.856 412 HG3 LYS 51 3HG LYS 51 3.745 -2.930 -8.079 413 HD2 LYS 51 2HD LYS 51 3.944 -3.316 -10.479 414 HD3 LYS 51 3HD LYS 51 4.342 -4.783 -9.584 415 HE2 LYS 51 2HE LYS 51 2.985 -5.379 -11.476 416 HE3 LYS 51 3HE LYS 51 2.028 -5.606 -10.013 417 HZ1 LYS 51 3HZ LYS 51 1.033 -3.391 -10.459 418 HZ2 LYS 51 1HZ LYS 51 0.683 -4.545 -11.643 419 HZ3 LYS 51 2HZ LYS 51 1.845 -3.356 -11.940 420 H GLY 52 H GLY 52 -0.577 -4.446 -6.739 421 HA2 GLY 52 2HA GLY 52 -1.467 -2.007 -7.804 422 HA3 GLY 52 3HA GLY 52 -2.493 -3.221 -7.056 423 H VAL 53 H VAL 53 -1.751 -3.218 -4.457 424 HA VAL 53 HA VAL 53 -3.003 -1.006 -3.315 425 HB VAL 53 HB VAL 53 -0.964 -2.852 -2.046 426 HG11 VAL 53 1HG1 VAL 53 -1.210 -0.830 -0.711 427 HG12 VAL 53 2HG1 VAL 53 -1.975 -2.194 0.105 428 HG13 VAL 53 3HG1 VAL 53 -2.965 -1.001 -0.735 429 HG21 VAL 53 3HG2 VAL 53 -2.869 -4.056 -2.959 430 HG22 VAL 53 1HG2 VAL 53 -3.982 -2.975 -2.116 431 HG23 VAL 53 2HG2 VAL 53 -2.938 -4.059 -1.195 432 H CYS 54 H CYS 54 0.477 -1.620 -3.734 433 HA CYS 54 HA CYS 54 1.423 0.733 -2.498 434 HB2 CYS 54 2HB CYS 54 2.698 -0.863 -4.735 435 HB3 CYS 54 3HB CYS 54 3.526 0.307 -3.714 436 HG CYS 54 HG CYS 54 2.092 -2.565 -2.519 437 H THR 55 H THR 55 0.653 0.037 -5.892 438 HA THR 55 HA THR 55 1.486 2.504 -6.979 439 HB THR 55 HB THR 55 -0.657 0.630 -8.034 440 HG1 THR 55 HG1 THR 55 1.157 -0.563 -8.068 441 HG21 THR 55 3HG2 THR 55 -0.159 1.627 -10.228 442 HG22 THR 55 1HG2 THR 55 0.959 2.755 -9.462 443 HG23 THR 55 2HG2 THR 55 -0.766 2.839 -9.099 444 H GLU 56 H GLU 56 -1.718 1.410 -5.871 445 HA GLU 56 HA GLU 56 -3.088 3.789 -6.606 446 HB2 GLU 56 2HB GLU 56 -3.843 1.572 -4.696 447 HB3 GLU 56 3HB GLU 56 -4.924 2.883 -5.152 448 HG2 GLU 56 2HG GLU 56 -3.743 0.803 -6.986 449 HG3 GLU 56 3HG GLU 56 -5.418 0.907 -6.446 450 H ALA 57 H ALA 57 -1.533 2.745 -3.600 451 HA ALA 57 HA ALA 57 -2.519 4.596 -1.799 452 HB1 ALA 57 3HB ALA 57 -0.997 2.777 -1.186 453 HB2 ALA 57 1HB ALA 57 -0.430 4.326 -0.561 454 HB3 ALA 57 2HB ALA 57 0.332 3.617 -1.985 455 H GLY 58 H GLY 58 0.255 5.040 -4.015 456 HA2 GLY 58 2HA GLY 58 0.810 7.725 -3.350 457 HA3 GLY 58 3HA GLY 58 1.222 6.943 -4.868 458 H MET 59 H MET 59 -1.522 6.330 -5.597 459 HA MET 59 HA MET 59 -2.187 8.743 -6.939 460 HB2 MET 59 2HB MET 59 -3.833 6.227 -6.589 461 HB3 MET 59 3HB MET 59 -4.188 7.524 -7.720 462 HG2 MET 59 2HG MET 59 -1.547 6.144 -7.876 463 HG3 MET 59 3HG MET 59 -2.983 5.345 -8.507 464 HE1 MET 59 3HE MET 59 -1.986 9.266 -8.630 465 HE2 MET 59 1HE MET 59 -1.145 9.245 -10.181 466 HE3 MET 59 2HE MET 59 -0.508 8.318 -8.821 467 H TYR 60 H TYR 60 -3.578 7.115 -4.097 468 HA TYR 60 HA TYR 60 -5.761 8.837 -3.695 469 HB2 TYR 60 2HB TYR 60 -4.127 7.218 -1.741 470 HB3 TYR 60 3HB TYR 60 -5.554 8.129 -1.259 471 HD1 TYR 60 HD2 TYR 60 -7.686 7.642 -2.843 472 HD2 TYR 60 HD1 TYR 60 -4.440 4.961 -2.198 473 HE1 TYR 60 HE2 TYR 60 -9.125 5.756 -3.479 474 HE2 TYR 60 HE1 TYR 60 -5.875 3.072 -2.837 475 HH TYR 60 HH TYR 60 -8.380 2.578 -2.857 476 H ALA 61 H ALA 61 -2.368 9.199 -2.816 477 HA ALA 61 HA ALA 61 -2.725 11.559 -1.248 478 HB1 ALA 61 3HB ALA 61 -0.738 10.140 -1.045 479 HB2 ALA 61 1HB ALA 61 -0.306 11.809 -1.417 480 HB3 ALA 61 2HB ALA 61 -0.256 10.580 -2.682 481 H LEU 62 H LEU 62 -1.617 11.058 -4.611 482 HA LEU 62 HA LEU 62 -1.222 13.781 -5.202 483 HB2 LEU 62 2HB LEU 62 -1.782 11.491 -7.088 484 HB3 LEU 62 3HB LEU 62 -1.166 13.066 -7.564 485 HG LEU 62 HG LEU 62 0.253 11.039 -5.821 486 HD11 LEU 62 1HD1 LEU 62 0.843 12.024 -8.612 487 HD12 LEU 62 2HD1 LEU 62 0.229 10.430 -8.175 488 HD13 LEU 62 3HD1 LEU 62 1.847 10.916 -7.675 489 HD21 LEU 62 3HD2 LEU 62 1.164 13.778 -6.718 490 HD22 LEU 62 1HD2 LEU 62 2.156 12.585 -5.879 491 HD23 LEU 62 2HD2 LEU 62 0.765 13.300 -5.066 492 H ARG 63 H ARG 63 -4.118 11.747 -5.623 493 HA ARG 63 HA ARG 63 -5.613 13.553 -7.191 494 HB2 ARG 63 2HB ARG 63 -7.582 12.289 -6.521 495 HB3 ARG 63 3HB ARG 63 -6.251 11.191 -6.862 496 HG2 ARG 63 2HG ARG 63 -5.823 10.967 -4.458 497 HG3 ARG 63 3HG ARG 63 -7.174 12.050 -4.120 498 HD2 ARG 63 2HD ARG 63 -7.385 9.407 -5.569 499 HD3 ARG 63 3HD ARG 63 -7.745 9.652 -3.863 500 HE ARG 63 HE ARG 63 -9.265 10.846 -6.094 501 HH11 ARG 63 1HH1 ARG 63 -9.058 9.732 -2.838 502 HH12 ARG 63 2HH1 ARG 63 -10.755 9.897 -2.555 503 HH21 ARG 63 1HH2 ARG 63 -11.449 11.050 -5.720 504 HH22 ARG 63 2HH2 ARG 63 -12.095 10.620 -4.176 505 H GLU 64 H GLU 64 -4.915 13.530 -3.780 506 HA GLU 64 HA GLU 64 -6.757 15.787 -3.334 507 HB2 GLU 64 2HB GLU 64 -5.314 13.965 -1.392 508 HB3 GLU 64 3HB GLU 64 -6.249 15.374 -0.899 509 HG2 GLU 64 2HG GLU 64 -8.264 14.411 -1.833 510 HG3 GLU 64 3HG GLU 64 -7.354 13.030 -2.442 511 H ARG 65 H ARG 65 -3.925 15.588 -4.582 512 HA ARG 65 HA ARG 65 -2.100 16.902 -4.823 513 HB2 ARG 65 2HB ARG 65 -3.626 18.975 -3.235 514 HB3 ARG 65 3HB ARG 65 -2.322 19.263 -4.378 515 HG2 ARG 65 2HG ARG 65 -5.116 18.316 -4.986 516 HG3 ARG 65 3HG ARG 65 -4.388 19.859 -5.420 517 HD2 ARG 65 2HD ARG 65 -3.598 17.140 -6.478 518 HD3 ARG 65 3HD ARG 65 -4.491 18.381 -7.353 519 HE ARG 65 HE ARG 65 -1.641 18.332 -6.794 520 HH11 ARG 65 1HH1 ARG 65 -4.335 20.154 -7.950 521 HH12 ARG 65 2HH1 ARG 65 -3.344 21.238 -8.860 522 HH21 ARG 65 1HH2 ARG 65 -0.394 19.733 -7.965 523 HH22 ARG 65 2HH2 ARG 65 -1.144 21.008 -8.863 524 H ARG 66 H ARG 66 -2.285 15.198 -2.403 525 HA ARG 66 HA ARG 66 -0.985 16.593 -0.254 526 HB2 ARG 66 2HB ARG 66 -1.065 13.605 -0.725 527 HB3 ARG 66 3HB ARG 66 -0.717 14.425 0.788 528 HG2 ARG 66 2HG ARG 66 -3.045 15.253 0.846 529 HG3 ARG 66 3HG ARG 66 -3.374 14.352 -0.642 530 HD2 ARG 66 2HD ARG 66 -2.540 12.294 0.590 531 HD3 ARG 66 3HD ARG 66 -2.593 13.262 2.060 532 HE ARG 66 HE ARG 66 -5.100 13.525 1.162 533 HH11 ARG 66 1HH1 ARG 66 -3.081 10.759 1.409 534 HH12 ARG 66 2HH1 ARG 66 -4.388 9.677 1.726 535 HH21 ARG 66 1HH2 ARG 66 -6.793 12.119 1.583 536 HH22 ARG 66 2HH2 ARG 66 -6.455 10.444 1.852 537 H VAL 67 H VAL 67 1.170 15.925 0.584 538 HA VAL 67 HA VAL 67 3.109 15.416 -1.579 539 HB VAL 67 HB VAL 67 3.672 16.394 1.235 540 HG11 VAL 67 1HG1 VAL 67 5.852 17.056 0.317 541 HG12 VAL 67 2HG1 VAL 67 5.412 16.337 -1.234 542 HG13 VAL 67 3HG1 VAL 67 5.588 15.316 0.196 543 HG21 VAL 67 3HG2 VAL 67 3.936 18.630 0.243 544 HG22 VAL 67 1HG2 VAL 67 2.290 18.021 0.052 545 HG23 VAL 67 2HG2 VAL 67 3.403 17.998 -1.315 546 H HIS 68 H HIS 68 1.778 14.084 1.346 547 HA HIS 68 HA HIS 68 3.633 11.785 1.168 548 HB2 HIS 68 2HB HIS 68 2.450 13.078 3.630 549 HB3 HIS 68 3HB HIS 68 3.205 11.488 3.651 550 HD1 HIS 68 HD1 HIS 68 4.057 15.118 3.029 551 HD2 HIS 68 HD2 HIS 68 5.947 11.504 3.813 552 HE1 HIS 68 HE1 HIS 68 6.463 15.694 3.443 553 HE2 HIS 68 HE2 HIS 68 7.549 13.517 4.078 554 H VAL 69 H VAL 69 2.784 9.725 1.890 555 HA VAL 69 HA VAL 69 -0.107 9.420 1.398 556 HB VAL 69 HB VAL 69 2.046 7.290 1.263 557 HG11 VAL 69 1HG1 VAL 69 -0.173 6.396 1.726 558 HG12 VAL 69 2HG1 VAL 69 0.336 5.971 0.092 559 HG13 VAL 69 3HG1 VAL 69 -0.832 7.268 0.343 560 HG21 VAL 69 3HG2 VAL 69 0.759 8.843 -0.989 561 HG22 VAL 69 1HG2 VAL 69 1.834 7.457 -1.187 562 HG23 VAL 69 2HG2 VAL 69 2.442 8.949 -0.470 563 H THR 70 H THR 70 -1.403 8.394 2.893 564 HA THR 70 HA THR 70 -0.196 7.846 5.531 565 HB THR 70 HB THR 70 -2.384 8.140 6.512 566 HG1 THR 70 HG1 THR 70 -3.288 8.274 3.814 567 HG21 THR 70 3HG2 THR 70 -1.873 10.301 4.456 568 HG22 THR 70 1HG2 THR 70 -1.153 10.206 6.066 569 HG23 THR 70 2HG2 THR 70 -2.887 10.467 5.888 570 H GLN 71 H GLN 71 -1.183 6.060 6.814 571 HA GLN 71 HA GLN 71 -1.027 3.604 5.429 572 HB2 GLN 71 2HB GLN 71 -0.494 3.924 7.840 573 HB3 GLN 71 3HB GLN 71 -2.207 4.137 8.167 574 HG2 GLN 71 2HG GLN 71 -2.649 1.856 7.450 575 HG3 GLN 71 3HG GLN 71 -0.946 1.636 7.050 576 HE21 GLN 71 1HE2 GLN 71 -2.587 0.162 8.941 577 HE22 GLN 71 2HE2 GLN 71 -1.839 0.330 10.485 578 H GLU 72 H GLU 72 -3.711 5.658 6.300 579 HA GLU 72 HA GLU 72 -5.861 3.899 5.940 580 HB2 GLU 72 2HB GLU 72 -5.755 6.872 5.373 581 HB3 GLU 72 3HB GLU 72 -7.220 5.921 5.583 582 HG2 GLU 72 2HG GLU 72 -6.527 5.405 7.896 583 HG3 GLU 72 3HG GLU 72 -5.108 6.428 7.679 584 H ASP 73 H ASP 73 -3.995 5.762 3.569 585 HA ASP 73 HA ASP 73 -5.723 5.349 1.360 586 HB2 ASP 73 2HB ASP 73 -2.730 5.816 1.330 587 HB3 ASP 73 3HB ASP 73 -3.827 6.041 -0.031 588 H PHE 74 H PHE 74 -2.958 3.510 2.597 589 HA PHE 74 HA PHE 74 -2.761 1.620 0.535 590 HB2 PHE 74 2HB PHE 74 -2.064 1.473 3.468 591 HB3 PHE 74 3HB PHE 74 -1.767 0.129 2.372 592 HD1 PHE 74 HD1 PHE 74 -0.865 3.627 3.142 593 HD2 PHE 74 HD2 PHE 74 0.059 0.160 0.847 594 HE1 PHE 74 HE1 PHE 74 1.287 4.630 2.490 595 HE2 PHE 74 HE2 PHE 74 2.208 1.159 0.195 596 HZ PHE 74 HZ PHE 74 2.826 3.393 1.016 597 H GLU 75 H GLU 75 -4.600 1.386 3.616 598 HA GLU 75 HA GLU 75 -5.730 -1.137 2.924 599 HB2 GLU 75 2HB GLU 75 -7.300 -0.726 4.821 600 HB3 GLU 75 3HB GLU 75 -5.598 -0.604 5.232 601 HG2 GLU 75 2HG GLU 75 -5.784 1.860 5.110 602 HG3 GLU 75 3HG GLU 75 -7.516 1.681 4.816 603 H MET 76 H MET 76 -6.846 2.189 2.419 604 HA MET 76 HA MET 76 -9.375 1.552 1.328 605 HB2 MET 76 2HB MET 76 -7.480 3.857 0.896 606 HB3 MET 76 3HB MET 76 -8.996 3.746 0.011 607 HG2 MET 76 2HG MET 76 -8.722 3.823 3.012 608 HG3 MET 76 3HG MET 76 -9.183 5.180 1.983 609 HE1 MET 76 3HE MET 76 -11.420 5.216 0.515 610 HE2 MET 76 1HE MET 76 -12.629 3.933 0.537 611 HE3 MET 76 2HE MET 76 -11.049 3.643 -0.189 612 H ALA 77 H ALA 77 -6.137 1.589 -0.090 613 HA ALA 77 HA ALA 77 -6.895 1.006 -2.752 614 HB1 ALA 77 3HB ALA 77 -4.588 0.281 -3.072 615 HB2 ALA 77 1HB ALA 77 -4.338 0.257 -1.326 616 HB3 ALA 77 2HB ALA 77 -4.646 1.784 -2.152 617 H VAL 78 H VAL 78 -5.933 -1.136 -0.061 618 HA VAL 78 HA VAL 78 -6.219 -3.609 -1.291 619 HB VAL 78 HB VAL 78 -6.930 -2.906 1.572 620 HG11 VAL 78 1HG1 VAL 78 -7.869 -5.066 0.959 621 HG12 VAL 78 2HG1 VAL 78 -6.511 -5.285 2.063 622 HG13 VAL 78 3HG1 VAL 78 -6.304 -5.596 0.339 623 HG21 VAL 78 3HG2 VAL 78 -4.631 -2.285 0.950 624 HG22 VAL 78 1HG2 VAL 78 -4.330 -3.943 0.428 625 HG23 VAL 78 2HG2 VAL 78 -4.662 -3.599 2.127 626 H ALA 79 H ALA 79 -8.718 -1.679 0.355 627 HA ALA 79 HA ALA 79 -10.895 -3.391 0.006 628 HB1 ALA 79 3HB ALA 79 -10.885 -0.372 0.036 629 HB2 ALA 79 1HB ALA 79 -10.958 -1.426 1.449 630 HB3 ALA 79 2HB ALA 79 -12.294 -1.401 0.298 631 H LYS 80 H LYS 80 -9.415 -1.139 -2.257 632 HA LYS 80 HA LYS 80 -11.505 -1.483 -4.237 633 HB2 LYS 80 2HB LYS 80 -10.342 0.681 -3.969 634 HB3 LYS 80 3HB LYS 80 -8.830 -0.080 -4.455 635 HG2 LYS 80 2HG LYS 80 -9.659 -0.475 -6.669 636 HG3 LYS 80 3HG LYS 80 -11.284 0.031 -6.207 637 HD2 LYS 80 2HD LYS 80 -10.181 1.800 -7.454 638 HD3 LYS 80 3HD LYS 80 -10.441 2.310 -5.787 639 HE2 LYS 80 2HE LYS 80 -8.095 1.745 -5.274 640 HE3 LYS 80 3HE LYS 80 -7.849 1.294 -6.961 641 HZ1 LYS 80 3HZ LYS 80 -8.570 3.992 -5.953 642 HZ2 LYS 80 1HZ LYS 80 -8.421 3.573 -7.586 643 HZ3 LYS 80 2HZ LYS 80 -7.071 3.521 -6.572 644 H VAL 81 H VAL 81 -8.440 -2.944 -3.481 645 HA VAL 81 HA VAL 81 -8.042 -4.167 -6.058 646 HB VAL 81 HB VAL 81 -6.761 -4.733 -3.372 647 HG11 VAL 81 1HG1 VAL 81 -6.032 -5.839 -6.093 648 HG12 VAL 81 2HG1 VAL 81 -6.677 -6.754 -4.731 649 HG13 VAL 81 3HG1 VAL 81 -5.074 -6.028 -4.623 650 HG21 VAL 81 3HG2 VAL 81 -4.809 -3.599 -4.358 651 HG22 VAL 81 1HG2 VAL 81 -6.215 -2.537 -4.283 652 HG23 VAL 81 2HG2 VAL 81 -5.743 -3.269 -5.817 653 H MET 82 H MET 82 -8.954 -5.517 -2.851 654 HA MET 82 HA MET 82 -9.723 -8.037 -4.063 655 HB2 MET 82 2HB MET 82 -9.998 -7.083 -1.202 656 HB3 MET 82 3HB MET 82 -10.310 -8.720 -1.759 657 HG2 MET 82 2HG MET 82 -7.937 -8.851 -2.507 658 HG3 MET 82 3HG MET 82 -7.667 -7.279 -1.758 659 HE1 MET 82 3HE MET 82 -8.773 -11.126 0.550 660 HE2 MET 82 1HE MET 82 -8.467 -11.071 -1.185 661 HE3 MET 82 2HE MET 82 -9.910 -10.303 -0.518 662 H GLN 83 H GLN 83 -11.345 -5.184 -2.808 663 HA GLN 83 HA GLN 83 -13.458 -4.415 -3.002 664 HB2 GLN 83 2HB GLN 83 -13.650 -6.469 -5.214 665 HB3 GLN 83 3HB GLN 83 -14.809 -5.174 -4.937 666 HG2 GLN 83 2HG GLN 83 -13.086 -3.510 -5.373 667 HG3 GLN 83 3HG GLN 83 -11.889 -4.785 -5.593 668 HE21 GLN 83 1HE2 GLN 83 -11.975 -6.055 -7.452 669 HE22 GLN 83 2HE2 GLN 83 -12.864 -5.572 -8.850 670 H LYS 84 H LYS 84 -13.638 -5.544 -0.814 671 HA LYS 84 HA LYS 84 -15.681 -7.646 -0.809 672 HB2 LYS 84 2HB LYS 84 -14.271 -6.245 1.482 673 HB3 LYS 84 3HB LYS 84 -15.439 -7.542 1.672 674 HG2 LYS 84 2HG LYS 84 -12.897 -7.897 0.097 675 HG3 LYS 84 3HG LYS 84 -12.969 -8.145 1.839 676 HD2 LYS 84 2HD LYS 84 -13.240 -10.292 0.909 677 HD3 LYS 84 3HD LYS 84 -14.864 -9.796 1.378 678 HE2 LYS 84 2HE LYS 84 -15.395 -9.246 -0.922 679 HE3 LYS 84 3HE LYS 84 -13.737 -9.580 -1.418 680 HZ1 LYS 84 3HZ LYS 84 -14.053 -11.892 -0.816 681 HZ2 LYS 84 1HZ LYS 84 -15.223 -11.416 -1.938 682 HZ3 LYS 84 2HZ LYS 84 -15.633 -11.577 -0.309 683 H ASP 85 H ASP 85 -16.196 -4.895 -1.821 684 HA ASP 85 HA ASP 85 -17.747 -3.383 -0.037 685 HB2 ASP 85 2HB ASP 85 -16.890 -2.423 -2.081 686 HB3 ASP 85 3HB ASP 85 -17.802 -3.573 -3.056 687 H SER 86 H SER 86 -19.333 -4.371 1.079 688 HA SER 86 HA SER 86 -21.730 -5.198 -0.357 689 HB2 SER 86 2HB SER 86 -20.292 -7.068 1.555 690 HB3 SER 86 3HB SER 86 -21.939 -7.318 0.971 691 HG SER 86 HG SER 86 -19.887 -6.905 -0.895 Start of MODEL 17 1 H1 MET 1 1H MET 1 11.025 -18.721 -16.314 2 H2 MET 1 2H MET 1 11.262 -20.215 -17.065 3 H3 MET 1 3H MET 1 11.262 -20.113 -15.379 4 HA MET 1 HA MET 1 8.935 -19.426 -15.403 5 HB2 MET 1 2HB MET 1 9.058 -20.131 -18.351 6 HB3 MET 1 3HB MET 1 7.645 -19.582 -17.459 7 HG2 MET 1 2HG MET 1 8.648 -17.411 -17.125 8 HG3 MET 1 3HG MET 1 10.138 -17.950 -17.898 9 HE1 MET 1 3HE MET 1 8.703 -15.284 -18.808 10 HE2 MET 1 1HE MET 1 8.776 -15.455 -20.561 11 HE3 MET 1 2HE MET 1 10.157 -15.930 -19.572 12 H GLY 2 H GLY 2 9.641 -21.878 -17.885 13 HA2 GLY 2 2HA GLY 2 9.361 -24.145 -17.933 14 HA3 GLY 2 3HA GLY 2 10.151 -24.077 -16.374 15 H HIS 3 H HIS 3 9.041 -24.729 -14.616 16 HA HIS 3 HA HIS 3 6.664 -26.248 -15.203 17 HB2 HIS 3 2HB HIS 3 8.265 -26.014 -12.649 18 HB3 HIS 3 3HB HIS 3 6.970 -27.173 -12.930 19 HD1 HIS 3 HD1 HIS 3 7.512 -29.227 -14.348 20 HD2 HIS 3 HD2 HIS 3 10.679 -26.557 -14.034 21 HE1 HIS 3 HE1 HIS 3 9.510 -30.447 -15.250 22 HE2 HIS 3 HE2 HIS 3 11.369 -28.751 -15.212 23 H HIS 4 H HIS 4 5.468 -24.057 -15.540 24 HA HIS 4 HA HIS 4 3.639 -22.832 -14.951 25 HB2 HIS 4 2HB HIS 4 3.355 -25.032 -12.889 26 HB3 HIS 4 3HB HIS 4 2.075 -23.925 -13.380 27 HD1 HIS 4 HD1 HIS 4 3.398 -27.192 -14.106 28 HD2 HIS 4 HD2 HIS 4 1.484 -24.229 -16.297 29 HE1 HIS 4 HE1 HIS 4 2.522 -28.333 -16.154 30 HE2 HIS 4 HE2 HIS 4 1.548 -26.487 -17.548 31 H HIS 5 H HIS 5 6.165 -22.076 -13.562 32 HA HIS 5 HA HIS 5 5.520 -21.463 -10.835 33 HB2 HIS 5 2HB HIS 5 7.845 -21.874 -11.680 34 HB3 HIS 5 3HB HIS 5 7.781 -20.312 -12.489 35 HD1 HIS 5 HD1 HIS 5 6.969 -21.423 -8.922 36 HD2 HIS 5 HD2 HIS 5 9.142 -18.530 -10.970 37 HE1 HIS 5 HE1 HIS 5 8.015 -19.990 -7.149 38 HE2 HIS 5 HE2 HIS 5 9.167 -18.146 -8.410 39 H HIS 6 H HIS 6 4.006 -20.210 -13.297 40 HA HIS 6 HA HIS 6 4.074 -17.407 -12.443 41 HB2 HIS 6 2HB HIS 6 4.097 -17.885 -14.866 42 HB3 HIS 6 3HB HIS 6 2.557 -18.719 -14.717 43 HD1 HIS 6 HD1 HIS 6 4.007 -15.228 -14.274 44 HD2 HIS 6 HD2 HIS 6 0.377 -17.111 -15.025 45 HE1 HIS 6 HE1 HIS 6 2.382 -13.384 -14.773 46 HE2 HIS 6 HE2 HIS 6 0.245 -14.557 -15.389 47 H HIS 7 H HIS 7 2.531 -20.192 -11.523 48 HA HIS 7 HA HIS 7 0.359 -18.633 -10.289 49 HB2 HIS 7 2HB HIS 7 0.113 -21.219 -11.791 50 HB3 HIS 7 3HB HIS 7 -0.983 -20.886 -10.455 51 HD1 HIS 7 HD1 HIS 7 -2.708 -18.980 -10.776 52 HD2 HIS 7 HD2 HIS 7 -0.314 -19.698 -14.097 53 HE1 HIS 7 HE1 HIS 7 -3.796 -17.749 -12.673 54 HE2 HIS 7 HE2 HIS 7 -2.271 -18.097 -14.638 55 H HIS 8 H HIS 8 -0.756 -20.241 -8.572 56 HA HIS 8 HA HIS 8 -0.586 -21.069 -6.476 57 HB2 HIS 8 2HB HIS 8 1.838 -22.387 -7.689 58 HB3 HIS 8 3HB HIS 8 1.400 -22.637 -6.002 59 HD1 HIS 8 HD1 HIS 8 0.561 -23.705 -9.428 60 HD2 HIS 8 HD2 HIS 8 -1.107 -23.989 -5.632 61 HE1 HIS 8 HE1 HIS 8 -1.207 -25.479 -9.599 62 HE2 HIS 8 HE2 HIS 8 -2.303 -25.522 -7.337 63 H SER 9 H SER 9 1.035 -18.568 -7.420 64 HA SER 9 HA SER 9 3.098 -18.340 -5.405 65 HB2 SER 9 2HB SER 9 3.424 -17.248 -7.569 66 HB3 SER 9 3HB SER 9 1.974 -16.277 -7.324 67 HG SER 9 HG SER 9 4.422 -15.683 -6.610 68 H HIS 10 H HIS 10 2.428 -18.184 -3.347 69 HA HIS 10 HA HIS 10 0.539 -16.016 -2.689 70 HB2 HIS 10 2HB HIS 10 -0.701 -18.114 -2.532 71 HB3 HIS 10 3HB HIS 10 0.532 -18.788 -1.468 72 HD1 HIS 10 HD1 HIS 10 0.393 -18.215 0.990 73 HD2 HIS 10 HD2 HIS 10 -2.315 -16.075 -1.325 74 HE1 HIS 10 HE1 HIS 10 -1.099 -17.030 2.622 75 HE2 HIS 10 HE2 HIS 10 -2.822 -15.876 1.205 76 HA PRO 11 HA PRO 11 4.101 -15.260 0.033 77 HB2 PRO 11 2HB PRO 11 3.722 -12.614 0.319 78 HB3 PRO 11 3HB PRO 11 4.404 -13.299 -1.161 79 HG2 PRO 11 2HG PRO 11 1.602 -12.386 -0.609 80 HG3 PRO 11 3HG PRO 11 2.598 -12.131 -2.055 81 HD2 PRO 11 2HD PRO 11 0.660 -14.076 -1.839 82 HD3 PRO 11 3HD PRO 11 2.054 -14.182 -2.932 83 H ASN 12 H ASN 12 4.085 -15.555 2.190 84 HA ASN 12 HA ASN 12 1.665 -15.325 3.734 85 HB2 ASN 12 2HB ASN 12 4.508 -15.999 4.538 86 HB3 ASN 12 3HB ASN 12 3.130 -16.057 5.635 87 HD21 ASN 12 1HD2 ASN 12 4.668 -17.538 2.890 88 HD22 ASN 12 2HD2 ASN 12 3.744 -18.995 2.921 89 H GLU 13 H GLU 13 2.343 -14.356 6.175 90 HA GLU 13 HA GLU 13 1.818 -11.672 6.016 91 HB2 GLU 13 2HB GLU 13 1.521 -12.839 8.085 92 HB3 GLU 13 3HB GLU 13 3.235 -13.216 8.190 93 HG2 GLU 13 2HG GLU 13 3.672 -10.751 8.399 94 HG3 GLU 13 3HG GLU 13 1.927 -10.523 8.519 95 H GLU 14 H GLU 14 5.064 -12.991 6.772 96 HA GLU 14 HA GLU 14 6.324 -10.449 6.747 97 HB2 GLU 14 2HB GLU 14 7.609 -13.173 6.439 98 HB3 GLU 14 3HB GLU 14 8.427 -11.684 6.893 99 HG2 GLU 14 2HG GLU 14 7.093 -11.582 8.950 100 HG3 GLU 14 3HG GLU 14 6.294 -13.087 8.496 101 H ALA 15 H ALA 15 5.987 -12.982 4.305 102 HA ALA 15 HA ALA 15 7.799 -11.962 2.413 103 HB1 ALA 15 3HB ALA 15 6.954 -14.249 2.339 104 HB2 ALA 15 1HB ALA 15 6.680 -13.421 0.804 105 HB3 ALA 15 2HB ALA 15 5.344 -13.653 1.935 106 H ARG 16 H ARG 16 4.246 -11.528 2.607 107 HA ARG 16 HA ARG 16 4.121 -9.804 0.348 108 HB2 ARG 16 2HB ARG 16 1.825 -9.303 1.074 109 HB3 ARG 16 3HB ARG 16 2.153 -11.027 1.068 110 HG2 ARG 16 2HG ARG 16 2.514 -10.880 3.546 111 HG3 ARG 16 3HG ARG 16 1.951 -9.211 3.463 112 HD2 ARG 16 2HD ARG 16 -0.196 -9.935 2.606 113 HD3 ARG 16 3HD ARG 16 0.359 -11.608 2.531 114 HE ARG 16 HE ARG 16 0.351 -10.302 5.142 115 HH11 ARG 16 1HH1 ARG 16 -1.159 -12.507 2.967 116 HH12 ARG 16 2HH1 ARG 16 -2.090 -13.265 4.209 117 HH21 ARG 16 1HH2 ARG 16 -0.863 -11.284 6.734 118 HH22 ARG 16 2HH2 ARG 16 -1.937 -12.569 6.306 119 H LEU 17 H LEU 17 4.582 -9.225 3.790 120 HA LEU 17 HA LEU 17 4.340 -6.402 3.715 121 HB2 LEU 17 2HB LEU 17 4.264 -7.662 5.805 122 HB3 LEU 17 3HB LEU 17 5.925 -8.177 5.583 123 HG LEU 17 HG LEU 17 6.718 -5.890 5.882 124 HD11 LEU 17 1HD1 LEU 17 5.176 -4.091 6.533 125 HD12 LEU 17 2HD1 LEU 17 3.808 -5.156 6.210 126 HD13 LEU 17 3HD1 LEU 17 4.876 -4.666 4.895 127 HD21 LEU 17 3HD2 LEU 17 4.783 -6.710 8.053 128 HD22 LEU 17 1HD2 LEU 17 6.130 -5.585 8.236 129 HD23 LEU 17 2HD2 LEU 17 6.443 -7.281 7.869 130 H ASP 18 H ASP 18 7.096 -8.571 3.195 131 HA ASP 18 HA ASP 18 9.137 -6.668 2.997 132 HB2 ASP 18 2HB ASP 18 9.502 -9.112 3.080 133 HB3 ASP 18 3HB ASP 18 8.852 -9.262 1.452 134 H ILE 19 H ILE 19 6.882 -7.868 0.540 135 HA ILE 19 HA ILE 19 7.835 -6.460 -1.697 136 HB ILE 19 HB ILE 19 4.913 -7.022 -1.123 137 HG12 ILE 19 2HG1 ILE 19 6.906 -8.898 -2.436 138 HG13 ILE 19 3HG1 ILE 19 6.362 -9.049 -0.767 139 HG21 ILE 19 1HG2 ILE 19 5.306 -5.611 -3.062 140 HG22 ILE 19 2HG2 ILE 19 4.753 -7.203 -3.580 141 HG23 ILE 19 3HG2 ILE 19 6.460 -6.777 -3.709 142 HD11 ILE 19 3HD1 ILE 19 4.054 -9.341 -1.575 143 HD12 ILE 19 1HD1 ILE 19 5.155 -10.582 -2.174 144 HD13 ILE 19 2HD1 ILE 19 4.649 -9.269 -3.236 145 H LEU 20 H LEU 20 5.365 -5.557 0.694 146 HA LEU 20 HA LEU 20 4.688 -3.028 -0.275 147 HB2 LEU 20 2HB LEU 20 4.751 -4.091 2.552 148 HB3 LEU 20 3HB LEU 20 4.030 -2.553 2.112 149 HG LEU 20 HG LEU 20 3.128 -5.177 0.915 150 HD11 LEU 20 1HD1 LEU 20 2.820 -5.243 3.349 151 HD12 LEU 20 2HD1 LEU 20 1.284 -5.176 2.484 152 HD13 LEU 20 3HD1 LEU 20 1.917 -3.726 3.269 153 HD21 LEU 20 3HD2 LEU 20 2.573 -3.154 -0.362 154 HD22 LEU 20 1HD2 LEU 20 1.795 -2.469 1.065 155 HD23 LEU 20 2HD2 LEU 20 1.132 -3.918 0.307 156 H LYS 21 H LYS 21 7.315 -3.962 1.947 157 HA LYS 21 HA LYS 21 8.291 -1.386 2.502 158 HB2 LYS 21 2HB LYS 21 9.741 -4.031 2.326 159 HB3 LYS 21 3HB LYS 21 10.491 -2.550 2.909 160 HG2 LYS 21 2HG LYS 21 8.810 -2.435 4.712 161 HG3 LYS 21 3HG LYS 21 8.125 -3.959 4.141 162 HD2 LYS 21 2HD LYS 21 10.213 -5.108 4.591 163 HD3 LYS 21 3HD LYS 21 10.981 -3.590 5.062 164 HE2 LYS 21 2HE LYS 21 9.352 -3.395 6.921 165 HE3 LYS 21 3HE LYS 21 8.690 -4.967 6.472 166 HZ1 LYS 21 3HZ LYS 21 10.818 -5.975 6.934 167 HZ2 LYS 21 1HZ LYS 21 10.290 -5.118 8.292 168 HZ3 LYS 21 2HZ LYS 21 11.499 -4.473 7.300 169 H ILE 22 H ILE 22 9.211 -3.639 -0.119 170 HA ILE 22 HA ILE 22 11.224 -2.085 -1.287 171 HB ILE 22 HB ILE 22 9.314 -4.004 -2.642 172 HG12 ILE 22 2HG1 ILE 22 12.104 -4.418 -1.522 173 HG13 ILE 22 3HG1 ILE 22 10.612 -5.029 -0.815 174 HG21 ILE 22 1HG2 ILE 22 11.010 -4.177 -4.409 175 HG22 ILE 22 2HG2 ILE 22 11.966 -2.928 -3.613 176 HG23 ILE 22 3HG2 ILE 22 10.380 -2.535 -4.280 177 HD11 ILE 22 3HD1 ILE 22 10.261 -6.416 -2.808 178 HD12 ILE 22 1HD1 ILE 22 11.780 -6.780 -1.990 179 HD13 ILE 22 2HD1 ILE 22 11.785 -5.825 -3.470 180 H HIS 23 H HIS 23 7.746 -2.202 -2.128 181 HA HIS 23 HA HIS 23 7.916 -0.220 -4.162 182 HB2 HIS 23 2HB HIS 23 5.575 -1.322 -2.606 183 HB3 HIS 23 3HB HIS 23 5.387 -0.116 -3.874 184 HD1 HIS 23 HD1 HIS 23 5.076 -1.004 -6.165 185 HD2 HIS 23 HD2 HIS 23 6.848 -3.800 -3.653 186 HE1 HIS 23 HE1 HIS 23 5.219 -3.117 -7.509 187 HE2 HIS 23 HE2 HIS 23 6.441 -4.740 -6.031 188 H SER 24 H SER 24 7.216 -0.023 -0.700 189 HA SER 24 HA SER 24 6.399 2.719 -0.736 190 HB2 SER 24 2HB SER 24 6.561 2.613 1.706 191 HB3 SER 24 3HB SER 24 5.740 1.186 1.082 192 HG SER 24 HG SER 24 7.315 -0.030 1.765 193 H ARG 25 H ARG 25 9.417 1.355 -1.216 194 HA ARG 25 HA ARG 25 10.925 3.614 -0.179 195 HB2 ARG 25 2HB ARG 25 11.758 1.260 -1.892 196 HB3 ARG 25 3HB ARG 25 12.862 2.502 -1.309 197 HG2 ARG 25 2HG ARG 25 12.461 1.880 0.974 198 HG3 ARG 25 3HG ARG 25 11.185 0.764 0.493 199 HD2 ARG 25 2HD ARG 25 12.871 -0.575 -0.733 200 HD3 ARG 25 3HD ARG 25 14.126 0.518 -0.141 201 HE ARG 25 HE ARG 25 13.167 -0.203 2.155 202 HH11 ARG 25 1HH1 ARG 25 13.597 -2.218 -0.596 203 HH12 ARG 25 2HH1 ARG 25 13.747 -3.658 0.341 204 HH21 ARG 25 1HH2 ARG 25 13.316 -2.047 3.351 205 HH22 ARG 25 2HH2 ARG 25 13.576 -3.564 2.565 206 H LYS 26 H LYS 26 9.209 2.836 -3.021 207 HA LYS 26 HA LYS 26 10.531 4.885 -4.636 208 HB2 LYS 26 2HB LYS 26 8.082 3.225 -5.304 209 HB3 LYS 26 3HB LYS 26 9.045 4.179 -6.425 210 HG2 LYS 26 2HG LYS 26 9.914 1.683 -4.970 211 HG3 LYS 26 3HG LYS 26 9.575 1.846 -6.695 212 HD2 LYS 26 2HD LYS 26 11.459 3.406 -6.916 213 HD3 LYS 26 3HD LYS 26 11.793 3.253 -5.190 214 HE2 LYS 26 2HE LYS 26 12.192 0.830 -5.519 215 HE3 LYS 26 3HE LYS 26 11.952 1.051 -7.253 216 HZ1 LYS 26 3HZ LYS 26 13.838 2.577 -7.270 217 HZ2 LYS 26 1HZ LYS 26 14.291 1.052 -6.697 218 HZ3 LYS 26 2HZ LYS 26 14.071 2.332 -5.615 219 H MET 27 H MET 27 7.886 4.516 -2.504 220 HA MET 27 HA MET 27 6.586 7.008 -3.380 221 HB2 MET 27 2HB MET 27 5.638 4.900 -1.419 222 HB3 MET 27 3HB MET 27 4.700 6.273 -1.991 223 HG2 MET 27 2HG MET 27 4.574 5.376 -4.187 224 HG3 MET 27 3HG MET 27 5.766 4.131 -3.815 225 HE1 MET 27 3HE MET 27 2.798 5.339 -1.522 226 HE2 MET 27 1HE MET 27 1.526 4.201 -1.971 227 HE3 MET 27 2HE MET 27 2.082 5.402 -3.134 228 H ASN 28 H ASN 28 5.874 8.524 -1.646 229 HA ASN 28 HA ASN 28 7.839 8.760 0.510 230 HB2 ASN 28 2HB ASN 28 5.562 10.620 -0.234 231 HB3 ASN 28 3HB ASN 28 6.824 10.952 0.948 232 HD21 ASN 28 1HD2 ASN 28 6.006 10.824 -2.387 233 HD22 ASN 28 2HD2 ASN 28 7.477 11.497 -2.989 234 H LEU 29 H LEU 29 7.424 8.261 2.612 235 HA LEU 29 HA LEU 29 4.700 7.316 3.259 236 HB2 LEU 29 2HB LEU 29 7.341 6.640 4.564 237 HB3 LEU 29 3HB LEU 29 5.780 6.004 5.051 238 HG LEU 29 HG LEU 29 7.139 5.503 2.396 239 HD11 LEU 29 1HD1 LEU 29 8.225 4.342 4.239 240 HD12 LEU 29 2HD1 LEU 29 7.364 3.203 3.208 241 HD13 LEU 29 3HD1 LEU 29 6.674 3.680 4.760 242 HD21 LEU 29 3HD2 LEU 29 5.321 3.940 1.959 243 HD22 LEU 29 1HD2 LEU 29 4.692 5.571 2.189 244 HD23 LEU 29 2HD2 LEU 29 4.551 4.379 3.483 245 H THR 30 H THR 30 3.724 7.837 5.259 246 HA THR 30 HA THR 30 4.589 10.293 6.540 247 HB THR 30 HB THR 30 2.182 9.886 6.286 248 HG1 THR 30 HG1 THR 30 1.760 10.785 8.196 249 HG21 THR 30 3HG2 THR 30 2.601 7.575 8.196 250 HG22 THR 30 1HG2 THR 30 2.162 7.443 6.493 251 HG23 THR 30 2HG2 THR 30 1.041 8.178 7.637 252 H ARG 31 H ARG 31 4.355 10.159 9.151 253 HA ARG 31 HA ARG 31 6.538 8.375 9.931 254 HB2 ARG 31 2HB ARG 31 5.213 10.601 11.499 255 HB3 ARG 31 3HB ARG 31 6.678 9.742 11.960 256 HG2 ARG 31 2HG ARG 31 6.328 11.544 9.564 257 HG3 ARG 31 3HG ARG 31 7.236 11.903 11.035 258 HD2 ARG 31 2HD ARG 31 8.815 10.130 10.532 259 HD3 ARG 31 3HD ARG 31 7.875 9.656 9.115 260 HE ARG 31 HE ARG 31 8.860 12.387 9.161 261 HH11 ARG 31 1HH1 ARG 31 9.313 9.154 8.040 262 HH12 ARG 31 2HH1 ARG 31 10.381 9.641 6.768 263 HH21 ARG 31 1HH2 ARG 31 10.226 12.987 7.527 264 HH22 ARG 31 2HH2 ARG 31 10.881 11.783 6.474 265 H GLY 32 H GLY 32 6.193 6.495 10.918 266 HA2 GLY 32 2HA GLY 32 5.313 4.997 12.475 267 HA3 GLY 32 3HA GLY 32 4.102 6.193 12.909 268 H ILE 33 H ILE 33 4.658 5.197 9.597 269 HA ILE 33 HA ILE 33 1.890 4.454 9.320 270 HB ILE 33 HB ILE 33 2.956 5.683 7.532 271 HG12 ILE 33 2HG1 ILE 33 2.292 2.858 6.651 272 HG13 ILE 33 3HG1 ILE 33 1.127 4.146 6.948 273 HG21 ILE 33 1HG2 ILE 33 4.706 4.716 6.119 274 HG22 ILE 33 2HG2 ILE 33 4.782 3.308 7.178 275 HG23 ILE 33 3HG2 ILE 33 5.244 4.898 7.788 276 HD11 ILE 33 3HD1 ILE 33 3.232 4.110 4.798 277 HD12 ILE 33 1HD1 ILE 33 2.114 5.439 5.111 278 HD13 ILE 33 2HD1 ILE 33 1.497 3.876 4.585 279 H ASN 34 H ASN 34 1.183 2.551 9.992 280 HA ASN 34 HA ASN 34 2.926 0.260 10.232 281 HB2 ASN 34 2HB ASN 34 1.212 0.868 11.947 282 HB3 ASN 34 3HB ASN 34 -0.048 0.459 10.790 283 HD21 ASN 34 1HD2 ASN 34 0.541 -0.687 13.403 284 HD22 ASN 34 2HD2 ASN 34 0.794 -2.376 13.137 285 H LEU 35 H LEU 35 3.444 -0.579 8.267 286 HA LEU 35 HA LEU 35 1.478 -1.004 6.193 287 HB2 LEU 35 2HB LEU 35 4.349 -1.926 6.415 288 HB3 LEU 35 3HB LEU 35 3.349 -2.092 4.983 289 HG LEU 35 HG LEU 35 4.203 0.531 6.229 290 HD11 LEU 35 1HD1 LEU 35 5.112 -0.782 3.666 291 HD12 LEU 35 2HD1 LEU 35 6.049 -0.686 5.157 292 HD13 LEU 35 3HD1 LEU 35 5.632 0.788 4.284 293 HD21 LEU 35 3HD2 LEU 35 2.016 0.717 5.161 294 HD22 LEU 35 1HD2 LEU 35 2.652 -0.022 3.690 295 HD23 LEU 35 2HD2 LEU 35 3.240 1.557 4.212 296 H ARG 36 H ARG 36 2.836 -2.877 8.797 297 HA ARG 36 HA ARG 36 2.335 -5.480 7.876 298 HB2 ARG 36 2HB ARG 36 3.670 -4.918 9.904 299 HB3 ARG 36 3HB ARG 36 2.179 -4.501 10.737 300 HG2 ARG 36 2HG ARG 36 1.392 -6.800 10.523 301 HG3 ARG 36 3HG ARG 36 2.858 -7.227 9.637 302 HD2 ARG 36 2HD ARG 36 4.195 -6.600 11.631 303 HD3 ARG 36 3HD ARG 36 2.693 -6.290 12.506 304 HE ARG 36 HE ARG 36 2.549 -8.879 11.496 305 HH11 ARG 36 1HH1 ARG 36 4.432 -7.122 13.790 306 HH12 ARG 36 2HH1 ARG 36 4.805 -8.527 14.716 307 HH21 ARG 36 1HH2 ARG 36 3.018 -10.661 12.686 308 HH22 ARG 36 2HH2 ARG 36 3.985 -10.518 14.115 309 H LYS 37 H LYS 37 0.228 -3.217 9.622 310 HA LYS 37 HA LYS 37 -2.023 -4.844 9.952 311 HB2 LYS 37 2HB LYS 37 -1.620 -2.486 10.860 312 HB3 LYS 37 3HB LYS 37 -2.114 -1.885 9.288 313 HG2 LYS 37 2HG LYS 37 -3.896 -3.660 10.939 314 HG3 LYS 37 3HG LYS 37 -3.853 -1.913 11.164 315 HD2 LYS 37 2HD LYS 37 -4.420 -3.221 8.504 316 HD3 LYS 37 3HD LYS 37 -5.683 -2.804 9.656 317 HE2 LYS 37 2HE LYS 37 -3.707 -0.794 8.589 318 HE3 LYS 37 3HE LYS 37 -5.248 -1.130 7.802 319 HZ1 LYS 37 3HZ LYS 37 -6.389 -0.467 9.821 320 HZ2 LYS 37 1HZ LYS 37 -5.398 0.784 9.261 321 HZ3 LYS 37 2HZ LYS 37 -4.918 -0.150 10.589 322 H ILE 38 H ILE 38 -0.938 -2.959 7.170 323 HA ILE 38 HA ILE 38 -3.246 -3.286 5.555 324 HB ILE 38 HB ILE 38 -0.400 -2.833 4.626 325 HG12 ILE 38 2HG1 ILE 38 -1.019 -1.145 6.282 326 HG13 ILE 38 3HG1 ILE 38 -0.968 -0.419 4.681 327 HG21 ILE 38 1HG2 ILE 38 -1.870 -3.477 2.809 328 HG22 ILE 38 2HG2 ILE 38 -1.472 -1.764 2.673 329 HG23 ILE 38 3HG2 ILE 38 -3.050 -2.257 3.292 330 HD11 ILE 38 3HD1 ILE 38 -3.416 -0.565 4.560 331 HD12 ILE 38 1HD1 ILE 38 -2.864 0.403 5.927 332 HD13 ILE 38 2HD1 ILE 38 -3.440 -1.242 6.189 333 H ALA 39 H ALA 39 -0.141 -5.029 5.655 334 HA ALA 39 HA ALA 39 -0.573 -6.876 3.624 335 HB1 ALA 39 3HB ALA 39 1.080 -8.287 4.777 336 HB2 ALA 39 1HB ALA 39 0.922 -7.282 6.220 337 HB3 ALA 39 2HB ALA 39 1.578 -6.596 4.733 338 H GLU 40 H GLU 40 -1.561 -7.054 7.026 339 HA GLU 40 HA GLU 40 -2.612 -9.681 6.939 340 HB2 GLU 40 2HB GLU 40 -3.193 -7.357 8.783 341 HB3 GLU 40 3HB GLU 40 -3.810 -8.983 9.042 342 HG2 GLU 40 2HG GLU 40 -0.883 -8.279 8.867 343 HG3 GLU 40 3HG GLU 40 -1.786 -8.442 10.371 344 H LEU 41 H LEU 41 -3.881 -6.705 5.755 345 HA LEU 41 HA LEU 41 -6.634 -7.607 5.693 346 HB2 LEU 41 2HB LEU 41 -5.292 -5.234 4.384 347 HB3 LEU 41 3HB LEU 41 -7.019 -5.534 4.380 348 HG LEU 41 HG LEU 41 -5.328 -4.969 6.826 349 HD11 LEU 41 1HD1 LEU 41 -7.385 -3.269 5.410 350 HD12 LEU 41 2HD1 LEU 41 -5.643 -2.996 5.434 351 HD13 LEU 41 3HD1 LEU 41 -6.575 -2.862 6.924 352 HD21 LEU 41 3HD2 LEU 41 -8.311 -5.394 6.577 353 HD22 LEU 41 1HD2 LEU 41 -7.458 -4.899 8.039 354 HD23 LEU 41 2HD2 LEU 41 -7.165 -6.492 7.346 355 H MET 42 H MET 42 -3.923 -8.350 3.917 356 HA MET 42 HA MET 42 -5.504 -9.039 1.512 357 HB2 MET 42 2HB MET 42 -2.546 -8.391 1.661 358 HB3 MET 42 3HB MET 42 -3.432 -8.832 0.207 359 HG2 MET 42 2HG MET 42 -4.748 -6.805 0.353 360 HG3 MET 42 3HG MET 42 -3.962 -6.375 1.870 361 HE1 MET 42 3HE MET 42 -2.232 -7.971 -1.306 362 HE2 MET 42 1HE MET 42 -1.773 -6.519 -2.193 363 HE3 MET 42 2HE MET 42 -3.478 -6.921 -1.981 364 HA PRO 43 HA PRO 43 -4.006 -13.026 3.413 365 HB2 PRO 43 2HB PRO 43 -6.294 -14.427 2.847 366 HB3 PRO 43 3HB PRO 43 -6.040 -13.516 4.340 367 HG2 PRO 43 2HG PRO 43 -7.555 -12.739 1.877 368 HG3 PRO 43 3HG PRO 43 -7.972 -12.470 3.579 369 HD2 PRO 43 2HD PRO 43 -6.928 -10.528 2.002 370 HD3 PRO 43 3HD PRO 43 -6.615 -10.612 3.746 371 H GLY 44 H GLY 44 -6.312 -13.570 0.723 372 HA2 GLY 44 2HA GLY 44 -4.301 -15.151 -0.665 373 HA3 GLY 44 3HA GLY 44 -5.988 -14.974 -1.118 374 H ALA 45 H ALA 45 -3.060 -12.932 -0.869 375 HA ALA 45 HA ALA 45 -3.858 -11.633 -3.405 376 HB1 ALA 45 3HB ALA 45 -2.605 -9.680 -2.662 377 HB2 ALA 45 1HB ALA 45 -2.149 -10.520 -1.182 378 HB3 ALA 45 2HB ALA 45 -3.839 -10.122 -1.485 379 H SER 46 H SER 46 -2.007 -10.766 -4.709 380 HA SER 46 HA SER 46 0.362 -12.543 -4.621 381 HB2 SER 46 2HB SER 46 0.385 -12.637 -7.038 382 HB3 SER 46 3HB SER 46 -1.239 -13.072 -6.507 383 HG SER 46 HG SER 46 -1.590 -11.591 -8.071 384 H GLY 47 H GLY 47 2.257 -11.602 -5.879 385 HA2 GLY 47 2HA GLY 47 3.013 -9.073 -4.969 386 HA3 GLY 47 3HA GLY 47 3.747 -9.906 -6.331 387 H ALA 48 H ALA 48 1.402 -9.965 -7.977 388 HA ALA 48 HA ALA 48 1.549 -7.459 -9.271 389 HB1 ALA 48 3HB ALA 48 0.999 -9.539 -10.444 390 HB2 ALA 48 1HB ALA 48 -0.237 -8.309 -10.711 391 HB3 ALA 48 2HB ALA 48 -0.535 -9.628 -9.577 392 H GLU 49 H GLU 49 -0.801 -8.827 -7.005 393 HA GLU 49 HA GLU 49 -2.664 -6.675 -7.174 394 HB2 GLU 49 2HB GLU 49 -2.277 -8.643 -4.902 395 HB3 GLU 49 3HB GLU 49 -3.701 -7.651 -5.190 396 HG2 GLU 49 2HG GLU 49 -2.688 -9.892 -6.931 397 HG3 GLU 49 3HG GLU 49 -4.109 -9.924 -5.890 398 H VAL 50 H VAL 50 0.085 -7.375 -5.041 399 HA VAL 50 HA VAL 50 -0.220 -5.191 -3.279 400 HB VAL 50 HB VAL 50 2.365 -6.509 -4.170 401 HG11 VAL 50 1HG1 VAL 50 1.753 -4.831 -1.727 402 HG12 VAL 50 2HG1 VAL 50 2.773 -4.365 -3.088 403 HG13 VAL 50 3HG1 VAL 50 3.266 -5.686 -2.029 404 HG21 VAL 50 3HG2 VAL 50 2.132 -7.887 -2.150 405 HG22 VAL 50 1HG2 VAL 50 0.785 -8.135 -3.262 406 HG23 VAL 50 2HG2 VAL 50 0.566 -7.142 -1.821 407 H LYS 51 H LYS 51 1.462 -5.483 -6.399 408 HA LYS 51 HA LYS 51 2.464 -2.900 -6.678 409 HB2 LYS 51 2HB LYS 51 2.927 -4.686 -8.282 410 HB3 LYS 51 3HB LYS 51 1.242 -4.727 -8.770 411 HG2 LYS 51 2HG LYS 51 2.813 -2.199 -9.099 412 HG3 LYS 51 3HG LYS 51 3.033 -3.518 -10.246 413 HD2 LYS 51 2HD LYS 51 0.404 -2.157 -9.603 414 HD3 LYS 51 3HD LYS 51 1.378 -1.888 -11.048 415 HE2 LYS 51 2HE LYS 51 1.063 -4.221 -11.708 416 HE3 LYS 51 3HE LYS 51 0.126 -4.519 -10.244 417 HZ1 LYS 51 3HZ LYS 51 -1.316 -4.171 -12.135 418 HZ2 LYS 51 1HZ LYS 51 -0.623 -2.657 -12.436 419 HZ3 LYS 51 2HZ LYS 51 -1.515 -2.918 -11.025 420 H GLY 52 H GLY 52 -0.806 -4.133 -7.242 421 HA2 GLY 52 2HA GLY 52 -1.988 -1.753 -8.181 422 HA3 GLY 52 3HA GLY 52 -2.837 -3.074 -7.392 423 H VAL 53 H VAL 53 -1.930 -3.090 -4.865 424 HA VAL 53 HA VAL 53 -3.323 -1.054 -3.581 425 HB VAL 53 HB VAL 53 -1.052 -2.726 -2.467 426 HG11 VAL 53 1HG1 VAL 53 -1.476 -0.766 -1.051 427 HG12 VAL 53 2HG1 VAL 53 -2.000 -2.248 -0.254 428 HG13 VAL 53 3HG1 VAL 53 -3.191 -1.175 -0.988 429 HG21 VAL 53 3HG2 VAL 53 -2.884 -4.075 -3.355 430 HG22 VAL 53 1HG2 VAL 53 -4.045 -3.155 -2.396 431 HG23 VAL 53 2HG2 VAL 53 -2.841 -4.167 -1.595 432 H CYS 54 H CYS 54 0.182 -1.283 -4.171 433 HA CYS 54 HA CYS 54 0.932 1.081 -2.831 434 HB2 CYS 54 2HB CYS 54 2.285 -0.228 -5.207 435 HB3 CYS 54 3HB CYS 54 3.025 0.932 -4.109 436 HG CYS 54 HG CYS 54 1.804 -2.011 -2.898 437 H THR 55 H THR 55 0.112 0.506 -6.243 438 HA THR 55 HA THR 55 0.556 3.154 -7.142 439 HB THR 55 HB THR 55 -1.303 1.062 -8.311 440 HG1 THR 55 HG1 THR 55 0.601 0.135 -8.602 441 HG21 THR 55 3HG2 THR 55 -1.053 2.294 -10.416 442 HG22 THR 55 1HG2 THR 55 -0.065 3.507 -9.603 443 HG23 THR 55 2HG2 THR 55 -1.767 3.324 -9.175 444 H GLU 56 H GLU 56 -2.433 1.506 -6.113 445 HA GLU 56 HA GLU 56 -4.223 3.626 -6.460 446 HB2 GLU 56 2HB GLU 56 -4.231 1.364 -4.450 447 HB3 GLU 56 3HB GLU 56 -5.580 2.469 -4.672 448 HG2 GLU 56 2HG GLU 56 -4.456 0.610 -6.765 449 HG3 GLU 56 3HG GLU 56 -5.934 0.359 -5.839 450 H ALA 57 H ALA 57 -2.431 2.678 -3.516 451 HA ALA 57 HA ALA 57 -3.243 4.695 -1.803 452 HB1 ALA 57 3HB ALA 57 -1.861 2.763 -1.139 453 HB2 ALA 57 1HB ALA 57 -1.194 4.290 -0.559 454 HB3 ALA 57 2HB ALA 57 -0.475 3.488 -1.957 455 H GLY 58 H GLY 58 -0.487 4.755 -4.079 456 HA2 GLY 58 2HA GLY 58 0.369 7.380 -3.637 457 HA3 GLY 58 3HA GLY 58 0.530 6.516 -5.160 458 H MET 59 H MET 59 -2.041 6.207 -6.002 459 HA MET 59 HA MET 59 -2.738 8.667 -7.129 460 HB2 MET 59 2HB MET 59 -4.415 6.185 -6.687 461 HB3 MET 59 3HB MET 59 -4.932 7.550 -7.667 462 HG2 MET 59 2HG MET 59 -2.326 6.284 -8.329 463 HG3 MET 59 3HG MET 59 -3.803 5.407 -8.725 464 HE1 MET 59 3HE MET 59 -1.532 8.476 -9.498 465 HE2 MET 59 1HE MET 59 -2.922 9.318 -8.813 466 HE3 MET 59 2HE MET 59 -2.560 9.476 -10.529 467 H TYR 60 H TYR 60 -3.943 7.102 -4.188 468 HA TYR 60 HA TYR 60 -6.081 8.898 -3.719 469 HB2 TYR 60 2HB TYR 60 -4.589 7.136 -1.761 470 HB3 TYR 60 3HB TYR 60 -6.115 7.950 -1.428 471 HD1 TYR 60 HD2 TYR 60 -6.914 7.312 -4.531 472 HD2 TYR 60 HD1 TYR 60 -5.798 5.015 -1.120 473 HE1 TYR 60 HE2 TYR 60 -8.132 5.383 -5.439 474 HE2 TYR 60 HE1 TYR 60 -7.009 3.078 -2.027 475 HH TYR 60 HH TYR 60 -7.994 2.843 -5.198 476 H ALA 61 H ALA 61 -2.688 8.943 -2.703 477 HA ALA 61 HA ALA 61 -2.927 11.297 -1.092 478 HB1 ALA 61 3HB ALA 61 -1.052 9.752 -0.827 479 HB2 ALA 61 1HB ALA 61 -0.479 11.378 -1.200 480 HB3 ALA 61 2HB ALA 61 -0.491 10.138 -2.454 481 H LEU 62 H LEU 62 -1.903 10.720 -4.447 482 HA LEU 62 HA LEU 62 -1.152 13.316 -5.131 483 HB2 LEU 62 2HB LEU 62 -2.308 11.126 -6.863 484 HB3 LEU 62 3HB LEU 62 -1.592 12.599 -7.493 485 HG LEU 62 HG LEU 62 -0.131 10.527 -5.839 486 HD11 LEU 62 1HD1 LEU 62 -0.030 11.091 -8.802 487 HD12 LEU 62 2HD1 LEU 62 -0.673 9.643 -8.025 488 HD13 LEU 62 3HD1 LEU 62 1.050 10.003 -7.931 489 HD21 LEU 62 3HD2 LEU 62 0.775 12.759 -5.507 490 HD22 LEU 62 1HD2 LEU 62 0.879 13.000 -7.252 491 HD23 LEU 62 2HD2 LEU 62 1.886 11.783 -6.466 492 H ARG 63 H ARG 63 -4.352 11.774 -5.594 493 HA ARG 63 HA ARG 63 -5.657 13.918 -6.812 494 HB2 ARG 63 2HB ARG 63 -7.770 12.911 -5.901 495 HB3 ARG 63 3HB ARG 63 -6.727 11.773 -6.746 496 HG2 ARG 63 2HG ARG 63 -5.899 10.927 -4.620 497 HG3 ARG 63 3HG ARG 63 -6.903 12.086 -3.752 498 HD2 ARG 63 2HD ARG 63 -8.084 10.074 -5.655 499 HD3 ARG 63 3HD ARG 63 -7.760 9.676 -3.968 500 HE ARG 63 HE ARG 63 -9.861 11.370 -4.993 501 HH11 ARG 63 1HH1 ARG 63 -7.940 10.598 -2.232 502 HH12 ARG 63 2HH1 ARG 63 -9.147 11.107 -1.110 503 HH21 ARG 63 1HH2 ARG 63 -11.417 11.985 -3.537 504 HH22 ARG 63 2HH2 ARG 63 -11.100 11.872 -1.840 505 H GLU 64 H GLU 64 -4.886 13.431 -3.430 506 HA GLU 64 HA GLU 64 -6.524 15.718 -2.620 507 HB2 GLU 64 2HB GLU 64 -5.047 13.600 -1.061 508 HB3 GLU 64 3HB GLU 64 -5.717 15.029 -0.282 509 HG2 GLU 64 2HG GLU 64 -7.950 14.389 -1.245 510 HG3 GLU 64 3HG GLU 64 -7.211 12.874 -1.764 511 H ARG 65 H ARG 65 -3.771 15.651 -4.104 512 HA ARG 65 HA ARG 65 -2.036 17.098 -4.347 513 HB2 ARG 65 2HB ARG 65 -3.703 18.733 -2.425 514 HB3 ARG 65 3HB ARG 65 -2.204 19.327 -3.121 515 HG2 ARG 65 2HG ARG 65 -3.994 20.221 -4.404 516 HG3 ARG 65 3HG ARG 65 -3.208 18.988 -5.386 517 HD2 ARG 65 2HD ARG 65 -5.678 18.923 -5.519 518 HD3 ARG 65 3HD ARG 65 -4.970 17.420 -4.934 519 HE ARG 65 HE ARG 65 -5.602 18.214 -2.656 520 HH11 ARG 65 1HH1 ARG 65 -7.230 19.556 -5.373 521 HH12 ARG 65 2HH1 ARG 65 -8.716 19.766 -4.512 522 HH21 ARG 65 1HH2 ARG 65 -7.502 18.484 -1.566 523 HH22 ARG 65 2HH2 ARG 65 -8.867 19.166 -2.380 524 H ARG 66 H ARG 66 -2.007 15.038 -2.156 525 HA ARG 66 HA ARG 66 -0.143 16.279 -0.250 526 HB2 ARG 66 2HB ARG 66 -1.275 13.473 -0.177 527 HB3 ARG 66 3HB ARG 66 -0.456 14.327 1.126 528 HG2 ARG 66 2HG ARG 66 -2.329 15.933 1.225 529 HG3 ARG 66 3HG ARG 66 -3.151 15.024 -0.044 530 HD2 ARG 66 2HD ARG 66 -2.506 14.133 2.763 531 HD3 ARG 66 3HD ARG 66 -4.094 14.310 2.017 532 HE ARG 66 HE ARG 66 -2.193 12.301 1.031 533 HH11 ARG 66 1HH1 ARG 66 -5.276 13.091 2.330 534 HH12 ARG 66 2HH1 ARG 66 -5.875 11.484 2.149 535 HH21 ARG 66 1HH2 ARG 66 -2.959 10.238 0.853 536 HH22 ARG 66 2HH2 ARG 66 -4.568 9.873 1.353 537 H VAL 67 H VAL 67 1.965 15.493 0.070 538 HA VAL 67 HA VAL 67 3.141 14.144 -2.232 539 HB VAL 67 HB VAL 67 4.506 15.293 0.219 540 HG11 VAL 67 1HG1 VAL 67 6.563 15.170 -1.137 541 HG12 VAL 67 2HG1 VAL 67 5.660 14.356 -2.416 542 HG13 VAL 67 3HG1 VAL 67 5.864 13.575 -0.847 543 HG21 VAL 67 3HG2 VAL 67 5.107 17.181 -1.239 544 HG22 VAL 67 1HG2 VAL 67 3.358 17.029 -1.060 545 HG23 VAL 67 2HG2 VAL 67 4.145 16.480 -2.541 546 H HIS 68 H HIS 68 3.022 13.665 1.310 547 HA HIS 68 HA HIS 68 4.125 10.984 1.012 548 HB2 HIS 68 2HB HIS 68 4.142 10.890 3.459 549 HB3 HIS 68 3HB HIS 68 4.927 12.354 2.882 550 HD1 HIS 68 HD1 HIS 68 4.122 14.502 3.855 551 HD2 HIS 68 HD2 HIS 68 1.457 11.389 4.539 552 HE1 HIS 68 HE1 HIS 68 2.388 15.429 5.408 553 HE2 HIS 68 HE2 HIS 68 0.705 13.586 5.673 554 H VAL 69 H VAL 69 3.071 9.081 1.493 555 HA VAL 69 HA VAL 69 0.147 9.176 1.402 556 HB VAL 69 HB VAL 69 1.992 6.789 1.110 557 HG11 VAL 69 1HG1 VAL 69 0.032 5.698 0.092 558 HG12 VAL 69 2HG1 VAL 69 -0.941 7.120 0.467 559 HG13 VAL 69 3HG1 VAL 69 -0.259 6.150 1.772 560 HG21 VAL 69 3HG2 VAL 69 2.428 8.390 -0.666 561 HG22 VAL 69 1HG2 VAL 69 0.703 8.504 -1.021 562 HG23 VAL 69 2HG2 VAL 69 1.566 6.995 -1.315 563 H THR 70 H THR 70 -1.166 8.189 2.933 564 HA THR 70 HA THR 70 0.108 7.621 5.531 565 HB THR 70 HB THR 70 -1.992 8.078 6.587 566 HG1 THR 70 HG1 THR 70 -3.153 8.364 3.989 567 HG21 THR 70 3HG2 THR 70 -0.710 10.070 5.922 568 HG22 THR 70 1HG2 THR 70 -2.445 10.386 5.907 569 HG23 THR 70 2HG2 THR 70 -1.583 10.119 4.392 570 H GLN 71 H GLN 71 -1.070 5.937 6.883 571 HA GLN 71 HA GLN 71 -1.093 3.434 5.591 572 HB2 GLN 71 2HB GLN 71 -0.670 3.686 8.000 573 HB3 GLN 71 3HB GLN 71 -2.328 4.219 8.247 574 HG2 GLN 71 2HG GLN 71 -3.101 2.008 7.410 575 HG3 GLN 71 3HG GLN 71 -1.417 1.494 7.341 576 HE21 GLN 71 1HE2 GLN 71 -1.699 -0.124 8.824 577 HE22 GLN 71 2HE2 GLN 71 -1.978 0.171 10.504 578 H GLU 72 H GLU 72 -3.624 5.741 6.283 579 HA GLU 72 HA GLU 72 -5.886 4.115 5.974 580 HB2 GLU 72 2HB GLU 72 -5.591 7.075 5.409 581 HB3 GLU 72 3HB GLU 72 -7.113 6.226 5.654 582 HG2 GLU 72 2HG GLU 72 -6.434 5.666 7.942 583 HG3 GLU 72 3HG GLU 72 -4.912 6.523 7.697 584 H ASP 73 H ASP 73 -3.935 5.831 3.583 585 HA ASP 73 HA ASP 73 -5.684 5.448 1.385 586 HB2 ASP 73 2HB ASP 73 -2.675 5.769 1.345 587 HB3 ASP 73 3HB ASP 73 -3.769 6.035 -0.011 588 H PHE 74 H PHE 74 -3.009 3.507 2.685 589 HA PHE 74 HA PHE 74 -2.966 1.568 0.626 590 HB2 PHE 74 2HB PHE 74 -2.027 1.507 3.490 591 HB3 PHE 74 3HB PHE 74 -1.869 0.108 2.433 592 HD1 PHE 74 HD2 PHE 74 -0.368 0.167 0.499 593 HD2 PHE 74 HD1 PHE 74 -0.620 3.447 3.207 594 HE1 PHE 74 HE2 PHE 74 1.745 1.062 -0.390 595 HE2 PHE 74 HE1 PHE 74 1.489 4.346 2.317 596 HZ PHE 74 HZ PHE 74 2.675 3.153 0.518 597 H GLU 75 H GLU 75 -4.608 1.511 3.816 598 HA GLU 75 HA GLU 75 -5.789 -1.035 3.420 599 HB2 GLU 75 2HB GLU 75 -7.318 -0.400 5.290 600 HB3 GLU 75 3HB GLU 75 -5.610 -0.229 5.653 601 HG2 GLU 75 2HG GLU 75 -5.825 2.213 5.191 602 HG3 GLU 75 3HG GLU 75 -7.566 1.972 5.033 603 H MET 76 H MET 76 -6.875 2.211 2.553 604 HA MET 76 HA MET 76 -9.414 1.459 1.535 605 HB2 MET 76 2HB MET 76 -7.537 3.746 0.984 606 HB3 MET 76 3HB MET 76 -8.963 3.525 -0.020 607 HG2 MET 76 2HG MET 76 -9.466 3.462 2.881 608 HG3 MET 76 3HG MET 76 -8.896 5.004 2.247 609 HE1 MET 76 3HE MET 76 -12.653 2.906 0.539 610 HE2 MET 76 1HE MET 76 -11.597 2.151 1.734 611 HE3 MET 76 2HE MET 76 -11.006 2.455 0.099 612 H ALA 77 H ALA 77 -6.201 1.618 0.049 613 HA ALA 77 HA ALA 77 -6.890 0.892 -2.565 614 HB1 ALA 77 3HB ALA 77 -4.322 0.298 -1.088 615 HB2 ALA 77 1HB ALA 77 -4.701 1.803 -1.928 616 HB3 ALA 77 2HB ALA 77 -4.539 0.300 -2.836 617 H VAL 78 H VAL 78 -6.116 -1.146 0.244 618 HA VAL 78 HA VAL 78 -6.086 -3.656 -0.964 619 HB VAL 78 HB VAL 78 -7.176 -2.933 1.771 620 HG11 VAL 78 1HG1 VAL 78 -7.975 -5.131 1.121 621 HG12 VAL 78 2HG1 VAL 78 -6.723 -5.296 2.351 622 HG13 VAL 78 3HG1 VAL 78 -6.345 -5.621 0.659 623 HG21 VAL 78 3HG2 VAL 78 -4.960 -3.577 2.592 624 HG22 VAL 78 1HG2 VAL 78 -4.846 -2.249 1.437 625 HG23 VAL 78 2HG2 VAL 78 -4.430 -3.891 0.938 626 H ALA 79 H ALA 79 -8.877 -1.824 0.270 627 HA ALA 79 HA ALA 79 -10.870 -3.725 -0.334 628 HB1 ALA 79 3HB ALA 79 -12.449 -1.877 -0.126 629 HB2 ALA 79 1HB ALA 79 -11.122 -0.716 -0.229 630 HB3 ALA 79 2HB ALA 79 -11.237 -1.806 1.155 631 H LYS 80 H LYS 80 -9.379 -1.190 -2.276 632 HA LYS 80 HA LYS 80 -11.101 -1.375 -4.529 633 HB2 LYS 80 2HB LYS 80 -9.681 0.578 -4.125 634 HB3 LYS 80 3HB LYS 80 -8.239 -0.410 -4.300 635 HG2 LYS 80 2HG LYS 80 -8.531 0.828 -6.318 636 HG3 LYS 80 3HG LYS 80 -8.904 -0.860 -6.664 637 HD2 LYS 80 2HD LYS 80 -10.523 0.619 -7.732 638 HD3 LYS 80 3HD LYS 80 -11.305 -0.362 -6.490 639 HE2 LYS 80 2HE LYS 80 -11.206 1.527 -4.932 640 HE3 LYS 80 3HE LYS 80 -10.397 2.503 -6.156 641 HZ1 LYS 80 3HZ LYS 80 -12.836 2.882 -5.926 642 HZ2 LYS 80 1HZ LYS 80 -13.093 1.326 -6.536 643 HZ3 LYS 80 2HZ LYS 80 -12.334 2.490 -7.494 644 H VAL 81 H VAL 81 -7.871 -2.720 -3.912 645 HA VAL 81 HA VAL 81 -7.625 -4.014 -6.420 646 HB VAL 81 HB VAL 81 -6.121 -4.469 -3.833 647 HG11 VAL 81 1HG1 VAL 81 -5.886 -6.412 -5.289 648 HG12 VAL 81 2HG1 VAL 81 -4.377 -5.503 -5.222 649 HG13 VAL 81 3HG1 VAL 81 -5.426 -5.368 -6.633 650 HG21 VAL 81 3HG2 VAL 81 -5.909 -2.194 -4.670 651 HG22 VAL 81 1HG2 VAL 81 -5.467 -2.797 -6.267 652 HG23 VAL 81 2HG2 VAL 81 -4.392 -3.064 -4.895 653 H MET 82 H MET 82 -8.628 -5.233 -3.220 654 HA MET 82 HA MET 82 -8.908 -7.933 -4.304 655 HB2 MET 82 2HB MET 82 -9.295 -6.902 -1.489 656 HB3 MET 82 3HB MET 82 -9.418 -8.589 -1.971 657 HG2 MET 82 2HG MET 82 -7.047 -8.443 -2.770 658 HG3 MET 82 3HG MET 82 -6.967 -6.842 -2.036 659 HE1 MET 82 3HE MET 82 -7.361 -10.699 -1.405 660 HE2 MET 82 1HE MET 82 -8.865 -10.046 -0.751 661 HE3 MET 82 2HE MET 82 -7.660 -10.744 0.332 662 H GLN 83 H GLN 83 -10.909 -5.225 -3.939 663 HA GLN 83 HA GLN 83 -13.157 -4.868 -4.109 664 HB2 GLN 83 2HB GLN 83 -13.067 -7.495 -5.615 665 HB3 GLN 83 3HB GLN 83 -14.343 -6.287 -5.719 666 HG2 GLN 83 2HG GLN 83 -12.796 -4.697 -6.704 667 HG3 GLN 83 3HG GLN 83 -11.470 -5.846 -6.533 668 HE21 GLN 83 1HE2 GLN 83 -11.433 -7.681 -7.870 669 HE22 GLN 83 2HE2 GLN 83 -12.333 -7.742 -9.342 670 H LYS 84 H LYS 84 -13.209 -5.327 -1.697 671 HA LYS 84 HA LYS 84 -15.201 -7.419 -1.178 672 HB2 LYS 84 2HB LYS 84 -12.873 -8.268 -0.629 673 HB3 LYS 84 3HB LYS 84 -12.788 -7.032 0.614 674 HG2 LYS 84 2HG LYS 84 -15.031 -9.026 0.608 675 HG3 LYS 84 3HG LYS 84 -13.449 -9.459 1.251 676 HD2 LYS 84 2HD LYS 84 -15.090 -7.097 2.186 677 HD3 LYS 84 3HD LYS 84 -15.059 -8.669 2.984 678 HE2 LYS 84 2HE LYS 84 -12.656 -6.884 2.556 679 HE3 LYS 84 3HE LYS 84 -13.570 -7.015 4.059 680 HZ1 LYS 84 3HZ LYS 84 -12.078 -9.223 2.739 681 HZ2 LYS 84 1HZ LYS 84 -12.968 -9.362 4.171 682 HZ3 LYS 84 2HZ LYS 84 -11.589 -8.385 4.125 683 H ASP 85 H ASP 85 -16.915 -6.428 -0.353 684 HA ASP 85 HA ASP 85 -16.514 -4.128 1.460 685 HB2 ASP 85 2HB ASP 85 -18.861 -4.713 -0.363 686 HB3 ASP 85 3HB ASP 85 -18.712 -3.319 0.706 687 H SER 86 H SER 86 -17.902 -3.939 3.291 688 HA SER 86 HA SER 86 -19.442 -6.330 4.038 689 HB2 SER 86 2HB SER 86 -18.352 -6.415 6.261 690 HB3 SER 86 3HB SER 86 -17.207 -6.717 4.955 691 HG SER 86 HG SER 86 -17.582 -4.278 6.377 Start of MODEL 18 1 H1 MET 1 1H MET 1 23.747 -16.715 -6.978 2 H2 MET 1 2H MET 1 25.017 -15.608 -6.864 3 H3 MET 1 3H MET 1 24.990 -16.736 -8.125 4 HA MET 1 HA MET 1 22.993 -14.580 -7.728 5 HB2 MET 1 2HB MET 1 25.179 -14.800 -9.816 6 HB3 MET 1 3HB MET 1 24.015 -13.493 -9.663 7 HG2 MET 1 2HG MET 1 26.154 -12.801 -8.800 8 HG3 MET 1 3HG MET 1 24.984 -12.905 -7.484 9 HE1 MET 1 3HE MET 1 27.055 -12.840 -5.735 10 HE2 MET 1 1HE MET 1 28.170 -12.755 -7.100 11 HE3 MET 1 2HE MET 1 28.419 -13.952 -5.831 12 H GLY 2 H GLY 2 21.097 -15.526 -8.351 13 HA2 GLY 2 2HA GLY 2 21.056 -16.854 -10.986 14 HA3 GLY 2 3HA GLY 2 20.392 -17.698 -9.598 15 H HIS 3 H HIS 3 19.069 -16.914 -12.054 16 HA HIS 3 HA HIS 3 17.012 -15.063 -11.004 17 HB2 HIS 3 2HB HIS 3 17.807 -15.750 -13.844 18 HB3 HIS 3 3HB HIS 3 16.341 -14.858 -13.449 19 HD1 HIS 3 HD1 HIS 3 16.761 -12.490 -14.040 20 HD2 HIS 3 HD2 HIS 3 20.060 -14.224 -12.202 21 HE1 HIS 3 HE1 HIS 3 18.426 -10.639 -13.763 22 HE2 HIS 3 HE2 HIS 3 20.371 -11.683 -12.560 23 H HIS 4 H HIS 4 17.233 -17.940 -10.407 24 HA HIS 4 HA HIS 4 15.197 -19.321 -11.910 25 HB2 HIS 4 2HB HIS 4 15.538 -21.114 -10.193 26 HB3 HIS 4 3HB HIS 4 17.011 -20.617 -11.014 27 HD1 HIS 4 HD1 HIS 4 18.873 -19.647 -9.588 28 HD2 HIS 4 HD2 HIS 4 15.375 -20.310 -7.448 29 HE1 HIS 4 HE1 HIS 4 19.491 -19.330 -7.175 30 HE2 HIS 4 HE2 HIS 4 17.322 -19.559 -5.924 31 H HIS 5 H HIS 5 13.980 -17.077 -11.092 32 HA HIS 5 HA HIS 5 12.709 -17.119 -8.572 33 HB2 HIS 5 2HB HIS 5 11.336 -15.327 -9.426 34 HB3 HIS 5 3HB HIS 5 12.972 -15.106 -10.037 35 HD1 HIS 5 HD1 HIS 5 9.673 -14.802 -11.154 36 HD2 HIS 5 HD2 HIS 5 13.082 -16.491 -12.815 37 HE1 HIS 5 HE1 HIS 5 9.222 -14.931 -13.617 38 HE2 HIS 5 HE2 HIS 5 11.235 -16.088 -14.580 39 H HIS 6 H HIS 6 10.561 -17.644 -7.984 40 HA HIS 6 HA HIS 6 8.990 -19.219 -9.934 41 HB2 HIS 6 2HB HIS 6 9.343 -19.794 -6.975 42 HB3 HIS 6 3HB HIS 6 8.195 -20.621 -8.023 43 HD1 HIS 6 HD1 HIS 6 9.081 -22.495 -9.480 44 HD2 HIS 6 HD2 HIS 6 12.092 -20.431 -7.499 45 HE1 HIS 6 HE1 HIS 6 11.167 -23.829 -9.860 46 HE2 HIS 6 HE2 HIS 6 13.001 -22.467 -8.809 47 H HIS 7 H HIS 7 6.652 -19.166 -9.564 48 HA HIS 7 HA HIS 7 5.715 -16.553 -9.047 49 HB2 HIS 7 2HB HIS 7 4.226 -19.165 -9.351 50 HB3 HIS 7 3HB HIS 7 3.428 -17.600 -9.216 51 HD1 HIS 7 HD1 HIS 7 5.050 -19.838 -11.629 52 HD2 HIS 7 HD2 HIS 7 3.979 -15.829 -11.442 53 HE1 HIS 7 HE1 HIS 7 5.146 -19.005 -13.990 54 HE2 HIS 7 HE2 HIS 7 4.696 -16.541 -13.820 55 H HIS 8 H HIS 8 5.385 -15.569 -7.167 56 HA HIS 8 HA HIS 8 5.328 -17.069 -4.687 57 HB2 HIS 8 2HB HIS 8 5.179 -14.080 -5.180 58 HB3 HIS 8 3HB HIS 8 5.357 -14.843 -3.604 59 HD1 HIS 8 HD1 HIS 8 7.693 -15.187 -2.829 60 HD2 HIS 8 HD2 HIS 8 7.487 -14.645 -6.940 61 HE1 HIS 8 HE1 HIS 8 10.072 -15.121 -3.615 62 HE2 HIS 8 HE2 HIS 8 9.910 -14.996 -6.121 63 H SER 9 H SER 9 3.301 -18.165 -5.196 64 HA SER 9 HA SER 9 0.836 -16.724 -5.332 65 HB2 SER 9 2HB SER 9 1.356 -19.653 -4.731 66 HB3 SER 9 3HB SER 9 -0.219 -18.954 -5.114 67 HG SER 9 HG SER 9 0.456 -19.624 -7.044 68 H HIS 10 H HIS 10 0.082 -15.592 -3.673 69 HA HIS 10 HA HIS 10 -0.425 -14.877 -1.579 70 HB2 HIS 10 2HB HIS 10 -1.958 -16.787 -1.656 71 HB3 HIS 10 3HB HIS 10 -0.690 -17.848 -1.056 72 HD1 HIS 10 HD1 HIS 10 -0.030 -17.602 1.470 73 HD2 HIS 10 HD2 HIS 10 -3.267 -15.281 0.285 74 HE1 HIS 10 HE1 HIS 10 -1.108 -16.810 3.593 75 HE2 HIS 10 HE2 HIS 10 -2.989 -15.317 2.851 76 HA PRO 11 HA PRO 11 3.860 -15.601 0.104 77 HB2 PRO 11 2HB PRO 11 4.463 -12.940 0.328 78 HB3 PRO 11 3HB PRO 11 4.786 -13.892 -1.124 79 HG2 PRO 11 2HG PRO 11 2.516 -12.022 -0.554 80 HG3 PRO 11 3HG PRO 11 3.453 -12.227 -2.047 81 HD2 PRO 11 2HD PRO 11 0.986 -13.301 -1.702 82 HD3 PRO 11 3HD PRO 11 2.233 -14.068 -2.706 83 H ASN 12 H ASN 12 4.197 -15.743 2.257 84 HA ASN 12 HA ASN 12 2.206 -15.155 4.142 85 HB2 ASN 12 2HB ASN 12 5.152 -15.674 4.617 86 HB3 ASN 12 3HB ASN 12 3.882 -15.782 5.833 87 HD21 ASN 12 1HD2 ASN 12 4.237 -17.941 6.247 88 HD22 ASN 12 2HD2 ASN 12 3.854 -19.188 5.117 89 H GLU 13 H GLU 13 2.827 -13.872 6.271 90 HA GLU 13 HA GLU 13 2.475 -11.205 5.687 91 HB2 GLU 13 2HB GLU 13 1.978 -12.211 7.880 92 HB3 GLU 13 3HB GLU 13 3.700 -12.342 8.211 93 HG2 GLU 13 2HG GLU 13 3.906 -9.906 8.151 94 HG3 GLU 13 3HG GLU 13 2.185 -9.766 7.798 95 H GLU 14 H GLU 14 5.547 -12.608 6.891 96 HA GLU 14 HA GLU 14 7.070 -10.265 6.708 97 HB2 GLU 14 2HB GLU 14 8.031 -13.128 6.447 98 HB3 GLU 14 3HB GLU 14 9.055 -11.736 6.761 99 HG2 GLU 14 2HG GLU 14 8.782 -12.749 8.843 100 HG3 GLU 14 3HG GLU 14 7.670 -11.384 8.871 101 H ALA 15 H ALA 15 6.531 -12.825 4.323 102 HA ALA 15 HA ALA 15 8.426 -11.933 2.413 103 HB1 ALA 15 3HB ALA 15 7.560 -14.224 2.470 104 HB2 ALA 15 1HB ALA 15 7.339 -13.488 0.883 105 HB3 ALA 15 2HB ALA 15 5.969 -13.637 1.985 106 H ARG 16 H ARG 16 4.881 -11.490 2.573 107 HA ARG 16 HA ARG 16 4.779 -9.904 0.203 108 HB2 ARG 16 2HB ARG 16 2.451 -9.526 0.733 109 HB3 ARG 16 3HB ARG 16 2.852 -11.212 1.011 110 HG2 ARG 16 2HG ARG 16 3.075 -10.648 3.457 111 HG3 ARG 16 3HG ARG 16 2.391 -9.067 3.071 112 HD2 ARG 16 2HD ARG 16 1.096 -11.773 2.760 113 HD3 ARG 16 3HD ARG 16 0.588 -10.443 3.799 114 HE ARG 16 HE ARG 16 -0.068 -9.239 1.801 115 HH11 ARG 16 1HH1 ARG 16 0.522 -12.619 1.424 116 HH12 ARG 16 2HH1 ARG 16 -0.396 -12.719 -0.042 117 HH21 ARG 16 1HH2 ARG 16 -1.235 -9.397 -0.095 118 HH22 ARG 16 2HH2 ARG 16 -1.366 -10.928 -0.881 119 H LEU 17 H LEU 17 4.931 -9.138 3.653 120 HA LEU 17 HA LEU 17 4.617 -6.363 3.544 121 HB2 LEU 17 2HB LEU 17 4.714 -7.645 5.627 122 HB3 LEU 17 3HB LEU 17 6.397 -8.029 5.334 123 HG LEU 17 HG LEU 17 7.006 -5.665 5.612 124 HD11 LEU 17 1HD1 LEU 17 4.079 -5.238 6.218 125 HD12 LEU 17 2HD1 LEU 17 4.944 -4.646 4.798 126 HD13 LEU 17 3HD1 LEU 17 5.363 -4.042 6.400 127 HD21 LEU 17 3HD2 LEU 17 5.329 -6.739 7.887 128 HD22 LEU 17 1HD2 LEU 17 6.569 -5.489 8.013 129 HD23 LEU 17 2HD2 LEU 17 7.019 -7.133 7.565 130 H ASP 18 H ASP 18 7.460 -8.372 2.973 131 HA ASP 18 HA ASP 18 9.382 -6.380 2.555 132 HB2 ASP 18 2HB ASP 18 9.946 -8.748 2.775 133 HB3 ASP 18 3HB ASP 18 9.105 -9.112 1.272 134 H ILE 19 H ILE 19 7.028 -7.811 0.315 135 HA ILE 19 HA ILE 19 7.903 -6.591 -2.063 136 HB ILE 19 HB ILE 19 5.068 -7.364 -1.319 137 HG12 ILE 19 2HG1 ILE 19 7.226 -8.955 -2.744 138 HG13 ILE 19 3HG1 ILE 19 6.668 -9.233 -1.099 139 HG21 ILE 19 1HG2 ILE 19 5.129 -5.881 -3.256 140 HG22 ILE 19 2HG2 ILE 19 4.689 -7.516 -3.745 141 HG23 ILE 19 3HG2 ILE 19 6.323 -6.921 -4.034 142 HD11 ILE 19 3HD1 ILE 19 5.031 -9.548 -3.605 143 HD12 ILE 19 1HD1 ILE 19 4.444 -9.796 -1.959 144 HD13 ILE 19 2HD1 ILE 19 5.702 -10.843 -2.616 145 H LEU 20 H LEU 20 5.427 -5.489 0.289 146 HA LEU 20 HA LEU 20 4.760 -3.082 -0.967 147 HB2 LEU 20 2HB LEU 20 4.822 -3.792 1.965 148 HB3 LEU 20 3HB LEU 20 4.284 -2.226 1.394 149 HG LEU 20 HG LEU 20 2.669 -3.755 -0.101 150 HD11 LEU 20 1HD1 LEU 20 3.529 -5.874 0.709 151 HD12 LEU 20 2HD1 LEU 20 1.845 -5.662 1.183 152 HD13 LEU 20 3HD1 LEU 20 3.130 -5.425 2.368 153 HD21 LEU 20 3HD2 LEU 20 1.971 -1.971 1.421 154 HD22 LEU 20 1HD2 LEU 20 2.142 -3.069 2.793 155 HD23 LEU 20 2HD2 LEU 20 0.924 -3.383 1.553 156 H LYS 21 H LYS 21 7.355 -3.737 1.388 157 HA LYS 21 HA LYS 21 8.395 -1.160 1.610 158 HB2 LYS 21 2HB LYS 21 9.862 -3.807 1.662 159 HB3 LYS 21 3HB LYS 21 10.555 -2.276 2.179 160 HG2 LYS 21 2HG LYS 21 8.957 -2.099 3.976 161 HG3 LYS 21 3HG LYS 21 8.110 -3.540 3.409 162 HD2 LYS 21 2HD LYS 21 10.060 -4.913 3.888 163 HD3 LYS 21 3HD LYS 21 10.981 -3.483 4.363 164 HE2 LYS 21 2HE LYS 21 8.467 -4.445 5.736 165 HE3 LYS 21 3HE LYS 21 10.107 -4.792 6.286 166 HZ1 LYS 21 3HZ LYS 21 9.169 -2.922 7.473 167 HZ2 LYS 21 1HZ LYS 21 8.902 -2.088 6.028 168 HZ3 LYS 21 2HZ LYS 21 10.479 -2.416 6.542 169 H ILE 22 H ILE 22 9.195 -3.671 -0.786 170 HA ILE 22 HA ILE 22 11.298 -2.410 -2.102 171 HB ILE 22 HB ILE 22 9.184 -4.243 -3.267 172 HG12 ILE 22 2HG1 ILE 22 11.984 -4.838 -2.261 173 HG13 ILE 22 3HG1 ILE 22 10.494 -5.201 -1.395 174 HG21 ILE 22 1HG2 ILE 22 10.292 -3.010 -5.058 175 HG22 ILE 22 2HG2 ILE 22 10.779 -4.703 -5.074 176 HG23 ILE 22 3HG2 ILE 22 11.870 -3.478 -4.425 177 HD11 ILE 22 3HD1 ILE 22 9.835 -6.725 -3.200 178 HD12 ILE 22 1HD1 ILE 22 11.366 -7.185 -2.455 179 HD13 ILE 22 2HD1 ILE 22 11.357 -6.385 -4.027 180 H HIS 23 H HIS 23 7.802 -2.098 -2.745 181 HA HIS 23 HA HIS 23 8.295 -0.201 -4.894 182 HB2 HIS 23 2HB HIS 23 5.738 -1.235 -3.658 183 HB3 HIS 23 3HB HIS 23 5.783 -0.079 -4.989 184 HD1 HIS 23 HD1 HIS 23 6.546 -0.956 -7.303 185 HD2 HIS 23 HD2 HIS 23 6.357 -3.883 -4.353 186 HE1 HIS 23 HE1 HIS 23 6.733 -3.146 -8.515 187 HE2 HIS 23 HE2 HIS 23 6.770 -4.888 -6.706 188 H SER 24 H SER 24 6.915 -0.032 -1.614 189 HA SER 24 HA SER 24 6.103 2.677 -1.799 190 HB2 SER 24 2HB SER 24 5.700 2.569 0.598 191 HB3 SER 24 3HB SER 24 5.139 1.085 -0.169 192 HG SER 24 HG SER 24 6.686 -0.030 0.788 193 H ARG 25 H ARG 25 9.222 1.338 -1.279 194 HA ARG 25 HA ARG 25 10.330 3.390 0.324 195 HB2 ARG 25 2HB ARG 25 12.531 2.537 -0.437 196 HB3 ARG 25 3HB ARG 25 11.461 1.276 0.146 197 HG2 ARG 25 2HG ARG 25 10.906 0.729 -2.212 198 HG3 ARG 25 3HG ARG 25 12.113 1.910 -2.725 199 HD2 ARG 25 2HD ARG 25 13.868 0.660 -1.624 200 HD3 ARG 25 3HD ARG 25 12.691 -0.466 -0.949 201 HE ARG 25 HE ARG 25 12.486 -0.458 -3.761 202 HH11 ARG 25 1HH1 ARG 25 14.605 -1.526 -1.254 203 HH12 ARG 25 2HH1 ARG 25 15.210 -2.848 -2.194 204 HH21 ARG 25 1HH2 ARG 25 13.311 -2.145 -4.950 205 HH22 ARG 25 2HH2 ARG 25 14.515 -3.173 -4.249 206 H LYS 26 H LYS 26 9.398 3.441 -2.983 207 HA LYS 26 HA LYS 26 11.051 5.782 -3.592 208 HB2 LYS 26 2HB LYS 26 9.018 4.253 -5.224 209 HB3 LYS 26 3HB LYS 26 9.744 5.751 -5.780 210 HG2 LYS 26 2HG LYS 26 10.954 4.024 -6.814 211 HG3 LYS 26 3HG LYS 26 11.992 4.619 -5.519 212 HD2 LYS 26 2HD LYS 26 11.322 2.732 -4.110 213 HD3 LYS 26 3HD LYS 26 10.241 2.157 -5.382 214 HE2 LYS 26 2HE LYS 26 13.240 2.426 -5.609 215 HE3 LYS 26 3HE LYS 26 12.363 0.918 -5.349 216 HZ1 LYS 26 3HZ LYS 26 11.285 1.210 -7.486 217 HZ2 LYS 26 1HZ LYS 26 12.966 1.239 -7.676 218 HZ3 LYS 26 2HZ LYS 26 12.086 2.678 -7.726 219 H MET 27 H MET 27 8.278 5.301 -1.889 220 HA MET 27 HA MET 27 6.977 7.793 -2.802 221 HB2 MET 27 2HB MET 27 5.804 5.473 -1.244 222 HB3 MET 27 3HB MET 27 4.921 6.886 -1.809 223 HG2 MET 27 2HG MET 27 5.159 6.234 -4.080 224 HG3 MET 27 3HG MET 27 6.333 4.986 -3.668 225 HE1 MET 27 3HE MET 27 2.576 6.112 -3.283 226 HE2 MET 27 1HE MET 27 3.048 5.743 -1.625 227 HE3 MET 27 2HE MET 27 1.880 4.717 -2.458 228 H ASN 28 H ASN 28 6.471 9.412 -1.300 229 HA ASN 28 HA ASN 28 7.870 9.500 1.180 230 HB2 ASN 28 2HB ASN 28 5.542 11.202 0.243 231 HB3 ASN 28 3HB ASN 28 6.578 11.558 1.621 232 HD21 ASN 28 1HD2 ASN 28 6.078 13.149 -0.721 233 HD22 ASN 28 2HD2 ASN 28 7.617 13.419 -1.455 234 H LEU 29 H LEU 29 7.334 8.017 2.736 235 HA LEU 29 HA LEU 29 4.507 7.379 3.180 236 HB2 LEU 29 2HB LEU 29 6.992 6.105 4.332 237 HB3 LEU 29 3HB LEU 29 5.348 5.549 4.595 238 HG LEU 29 HG LEU 29 6.834 5.556 1.961 239 HD11 LEU 29 1HD1 LEU 29 7.568 3.821 3.521 240 HD12 LEU 29 2HD1 LEU 29 6.711 3.133 2.144 241 HD13 LEU 29 3HD1 LEU 29 5.899 3.274 3.704 242 HD21 LEU 29 3HD2 LEU 29 4.483 6.034 1.579 243 HD22 LEU 29 1HD2 LEU 29 4.014 4.669 2.594 244 HD23 LEU 29 2HD2 LEU 29 4.856 4.389 1.069 245 H THR 30 H THR 30 3.497 7.546 5.205 246 HA THR 30 HA THR 30 4.410 9.631 6.937 247 HB THR 30 HB THR 30 2.012 9.221 6.655 248 HG1 THR 30 HG1 THR 30 2.270 8.602 9.348 249 HG21 THR 30 3HG2 THR 30 2.504 6.643 8.156 250 HG22 THR 30 1HG2 THR 30 2.016 6.785 6.466 251 HG23 THR 30 2HG2 THR 30 0.922 7.308 7.747 252 H ARG 31 H ARG 31 5.420 9.531 8.897 253 HA ARG 31 HA ARG 31 7.125 7.336 9.373 254 HB2 ARG 31 2HB ARG 31 6.446 9.718 11.107 255 HB3 ARG 31 3HB ARG 31 7.735 8.576 11.468 256 HG2 ARG 31 2HG ARG 31 8.902 9.180 9.437 257 HG3 ARG 31 3HG ARG 31 7.571 10.231 8.951 258 HD2 ARG 31 2HD ARG 31 9.166 10.625 11.483 259 HD3 ARG 31 3HD ARG 31 9.563 11.403 9.951 260 HE ARG 31 HE ARG 31 7.154 12.290 10.143 261 HH11 ARG 31 1HH1 ARG 31 9.230 11.709 12.838 262 HH12 ARG 31 2HH1 ARG 31 8.567 13.011 13.759 263 HH21 ARG 31 1HH2 ARG 31 6.317 13.952 11.342 264 HH22 ARG 31 2HH2 ARG 31 6.926 14.257 12.931 265 H GLY 32 H GLY 32 6.702 5.436 10.305 266 HA2 GLY 32 2HA GLY 32 6.035 4.037 12.076 267 HA3 GLY 32 3HA GLY 32 4.984 5.310 12.672 268 H ILE 33 H ILE 33 4.723 4.669 9.315 269 HA ILE 33 HA ILE 33 2.017 3.979 9.373 270 HB ILE 33 HB ILE 33 3.039 4.891 7.388 271 HG12 ILE 33 2HG1 ILE 33 2.064 2.075 6.825 272 HG13 ILE 33 3HG1 ILE 33 1.031 3.476 7.093 273 HG21 ILE 33 1HG2 ILE 33 5.253 3.885 7.590 274 HG22 ILE 33 2HG2 ILE 33 4.585 3.627 5.979 275 HG23 ILE 33 3HG2 ILE 33 4.589 2.310 7.152 276 HD11 ILE 33 3HD1 ILE 33 2.977 3.121 4.822 277 HD12 ILE 33 1HD1 ILE 33 1.949 4.531 5.089 278 HD13 ILE 33 2HD1 ILE 33 1.223 2.966 4.732 279 H ASN 34 H ASN 34 0.922 2.107 9.706 280 HA ASN 34 HA ASN 34 2.459 -0.323 10.220 281 HB2 ASN 34 2HB ASN 34 0.704 0.415 11.835 282 HB3 ASN 34 3HB ASN 34 -0.510 0.141 10.590 283 HD21 ASN 34 1HD2 ASN 34 -1.558 -1.448 11.759 284 HD22 ASN 34 2HD2 ASN 34 -0.878 -3.014 12.018 285 H LEU 35 H LEU 35 3.020 -1.115 8.208 286 HA LEU 35 HA LEU 35 1.038 -1.577 6.154 287 HB2 LEU 35 2HB LEU 35 3.911 -2.484 6.388 288 HB3 LEU 35 3HB LEU 35 2.903 -2.741 4.978 289 HG LEU 35 HG LEU 35 3.737 -0.043 6.064 290 HD11 LEU 35 1HD1 LEU 35 5.610 -1.229 5.066 291 HD12 LEU 35 2HD1 LEU 35 5.104 0.107 4.033 292 HD13 LEU 35 3HD1 LEU 35 4.659 -1.549 3.615 293 HD21 LEU 35 3HD2 LEU 35 1.541 0.038 5.002 294 HD22 LEU 35 1HD2 LEU 35 2.192 -0.758 3.569 295 HD23 LEU 35 2HD2 LEU 35 2.749 0.857 4.014 296 H ARG 36 H ARG 36 2.050 -3.207 8.953 297 HA ARG 36 HA ARG 36 1.670 -5.895 8.306 298 HB2 ARG 36 2HB ARG 36 2.602 -5.180 10.445 299 HB3 ARG 36 3HB ARG 36 1.068 -4.453 10.897 300 HG2 ARG 36 2HG ARG 36 0.015 -6.653 10.940 301 HG3 ARG 36 3HG ARG 36 1.537 -7.399 10.445 302 HD2 ARG 36 2HD ARG 36 2.602 -6.654 12.497 303 HD3 ARG 36 3HD ARG 36 1.134 -5.800 12.977 304 HE ARG 36 HE ARG 36 0.297 -8.351 12.665 305 HH11 ARG 36 1HH1 ARG 36 2.893 -6.948 14.424 306 HH12 ARG 36 2HH1 ARG 36 2.837 -8.138 15.676 307 HH21 ARG 36 1HH2 ARG 36 0.235 -9.889 14.265 308 HH22 ARG 36 2HH2 ARG 36 1.349 -9.791 15.586 309 H LYS 37 H LYS 37 -0.752 -3.514 9.467 310 HA LYS 37 HA LYS 37 -3.021 -5.124 9.336 311 HB2 LYS 37 2HB LYS 37 -3.204 -2.892 10.244 312 HB3 LYS 37 3HB LYS 37 -2.740 -2.171 8.704 313 HG2 LYS 37 2HG LYS 37 -4.851 -3.415 7.793 314 HG3 LYS 37 3HG LYS 37 -5.326 -3.477 9.487 315 HD2 LYS 37 2HD LYS 37 -4.569 -0.930 8.071 316 HD3 LYS 37 3HD LYS 37 -6.222 -1.542 8.136 317 HE2 LYS 37 2HE LYS 37 -5.996 -1.537 10.659 318 HE3 LYS 37 3HE LYS 37 -4.483 -0.656 10.438 319 HZ1 LYS 37 3HZ LYS 37 -5.784 1.036 9.194 320 HZ2 LYS 37 1HZ LYS 37 -6.220 0.907 10.825 321 HZ3 LYS 37 2HZ LYS 37 -7.199 0.221 9.634 322 H ILE 38 H ILE 38 -1.533 -3.173 6.774 323 HA ILE 38 HA ILE 38 -3.289 -3.711 4.696 324 HB ILE 38 HB ILE 38 -0.289 -3.452 4.380 325 HG12 ILE 38 2HG1 ILE 38 -1.017 -1.640 5.803 326 HG13 ILE 38 3HG1 ILE 38 -0.723 -0.993 4.192 327 HG21 ILE 38 1HG2 ILE 38 -1.440 -4.081 2.336 328 HG22 ILE 38 2HG2 ILE 38 -0.855 -2.422 2.221 329 HG23 ILE 38 3HG2 ILE 38 -2.563 -2.735 2.528 330 HD11 ILE 38 3HD1 ILE 38 -3.408 -1.643 5.389 331 HD12 ILE 38 1HD1 ILE 38 -3.135 -1.019 3.762 332 HD13 ILE 38 2HD1 ILE 38 -2.718 -0.037 5.165 333 H ALA 39 H ALA 39 -0.617 -5.683 5.927 334 HA ALA 39 HA ALA 39 -0.827 -7.744 3.956 335 HB1 ALA 39 3HB ALA 39 0.617 -9.039 5.425 336 HB2 ALA 39 1HB ALA 39 0.336 -7.899 6.741 337 HB3 ALA 39 2HB ALA 39 1.211 -7.384 5.299 338 H GLU 40 H GLU 40 -2.275 -7.224 7.152 339 HA GLU 40 HA GLU 40 -3.558 -9.695 7.505 340 HB2 GLU 40 2HB GLU 40 -4.345 -6.910 8.394 341 HB3 GLU 40 3HB GLU 40 -5.201 -8.356 8.906 342 HG2 GLU 40 2HG GLU 40 -2.253 -7.972 9.373 343 HG3 GLU 40 3HG GLU 40 -3.481 -7.406 10.504 344 H LEU 41 H LEU 41 -4.570 -6.821 5.719 345 HA LEU 41 HA LEU 41 -7.231 -7.804 5.179 346 HB2 LEU 41 2HB LEU 41 -5.753 -5.438 4.012 347 HB3 LEU 41 3HB LEU 41 -7.472 -5.752 3.853 348 HG LEU 41 HG LEU 41 -6.031 -5.146 6.446 349 HD11 LEU 41 1HD1 LEU 41 -7.247 -3.020 6.376 350 HD12 LEU 41 2HD1 LEU 41 -7.890 -3.439 4.787 351 HD13 LEU 41 3HD1 LEU 41 -6.156 -3.195 5.002 352 HD21 LEU 41 3HD2 LEU 41 -8.975 -5.543 5.883 353 HD22 LEU 41 1HD2 LEU 41 -8.284 -5.001 7.414 354 HD23 LEU 41 2HD2 LEU 41 -7.932 -6.620 6.812 355 H MET 42 H MET 42 -4.843 -9.347 4.141 356 HA MET 42 HA MET 42 -5.389 -9.211 1.240 357 HB2 MET 42 2HB MET 42 -2.907 -10.008 2.762 358 HB3 MET 42 3HB MET 42 -3.115 -10.322 1.044 359 HG2 MET 42 2HG MET 42 -3.390 -7.557 2.165 360 HG3 MET 42 3HG MET 42 -1.817 -8.234 1.749 361 HE1 MET 42 3HE MET 42 -1.488 -6.141 0.122 362 HE2 MET 42 1HE MET 42 -3.111 -5.538 0.468 363 HE3 MET 42 2HE MET 42 -2.583 -5.751 -1.202 364 HA PRO 43 HA PRO 43 -6.767 -13.488 2.379 365 HB2 PRO 43 2HB PRO 43 -9.241 -13.416 1.321 366 HB3 PRO 43 3HB PRO 43 -8.892 -12.743 2.918 367 HG2 PRO 43 2HG PRO 43 -9.267 -11.338 0.310 368 HG3 PRO 43 3HG PRO 43 -9.794 -10.855 1.932 369 HD2 PRO 43 2HD PRO 43 -7.529 -9.892 0.625 370 HD3 PRO 43 3HD PRO 43 -7.809 -9.813 2.374 371 H GLY 44 H GLY 44 -5.339 -14.472 0.947 372 HA2 GLY 44 2HA GLY 44 -4.867 -15.774 -0.909 373 HA3 GLY 44 3HA GLY 44 -6.425 -15.322 -1.577 374 H ALA 45 H ALA 45 -4.480 -12.651 -0.696 375 HA ALA 45 HA ALA 45 -4.129 -11.936 -3.493 376 HB1 ALA 45 3HB ALA 45 -3.431 -9.755 -2.630 377 HB2 ALA 45 1HB ALA 45 -3.474 -10.391 -0.983 378 HB3 ALA 45 2HB ALA 45 -4.962 -10.269 -1.922 379 H SER 46 H SER 46 -2.198 -11.618 -4.561 380 HA SER 46 HA SER 46 0.249 -12.595 -3.212 381 HB2 SER 46 2HB SER 46 -0.487 -12.791 -6.150 382 HB3 SER 46 3HB SER 46 1.019 -13.363 -5.431 383 HG SER 46 HG SER 46 -1.552 -14.432 -5.302 384 H GLY 47 H GLY 47 2.154 -11.858 -5.063 385 HA2 GLY 47 2HA GLY 47 2.661 -9.188 -4.320 386 HA3 GLY 47 3HA GLY 47 3.554 -10.099 -5.520 387 H ALA 48 H ALA 48 1.155 -10.469 -7.226 388 HA ALA 48 HA ALA 48 1.592 -8.330 -8.974 389 HB1 ALA 48 3HB ALA 48 0.787 -10.505 -9.719 390 HB2 ALA 48 1HB ALA 48 -0.289 -9.221 -10.269 391 HB3 ALA 48 2HB ALA 48 -0.752 -10.234 -8.901 392 H GLU 49 H GLU 49 -1.118 -8.890 -6.742 393 HA GLU 49 HA GLU 49 -2.350 -6.360 -7.436 394 HB2 GLU 49 2HB GLU 49 -3.951 -7.014 -5.519 395 HB3 GLU 49 3HB GLU 49 -3.979 -7.961 -6.996 396 HG2 GLU 49 2HG GLU 49 -2.292 -8.860 -4.697 397 HG3 GLU 49 3HG GLU 49 -4.033 -9.134 -4.674 398 H VAL 50 H VAL 50 -0.364 -7.632 -4.814 399 HA VAL 50 HA VAL 50 -0.583 -5.515 -2.994 400 HB VAL 50 HB VAL 50 1.791 -7.269 -3.656 401 HG11 VAL 50 1HG1 VAL 50 1.494 -5.333 -1.351 402 HG12 VAL 50 2HG1 VAL 50 2.630 -5.187 -2.693 403 HG13 VAL 50 3HG1 VAL 50 2.792 -6.510 -1.540 404 HG21 VAL 50 3HG2 VAL 50 1.199 -8.415 -1.572 405 HG22 VAL 50 1HG2 VAL 50 -0.159 -8.413 -2.698 406 HG23 VAL 50 2HG2 VAL 50 -0.147 -7.298 -1.333 407 H LYS 51 H LYS 51 1.595 -5.866 -5.789 408 HA LYS 51 HA LYS 51 2.831 -3.355 -5.694 409 HB2 LYS 51 2HB LYS 51 3.624 -5.087 -7.177 410 HB3 LYS 51 3HB LYS 51 2.100 -5.126 -8.042 411 HG2 LYS 51 2HG LYS 51 3.687 -2.590 -8.014 412 HG3 LYS 51 3HG LYS 51 4.211 -3.921 -9.043 413 HD2 LYS 51 2HD LYS 51 1.497 -2.582 -9.106 414 HD3 LYS 51 3HD LYS 51 2.794 -2.363 -10.281 415 HE2 LYS 51 2HE LYS 51 2.655 -4.729 -10.887 416 HE3 LYS 51 3HE LYS 51 1.375 -4.968 -9.701 417 HZ1 LYS 51 3HZ LYS 51 -0.039 -3.498 -10.936 418 HZ2 LYS 51 1HZ LYS 51 0.539 -4.705 -11.970 419 HZ3 LYS 51 2HZ LYS 51 1.195 -3.149 -12.038 420 H GLY 52 H GLY 52 -0.294 -4.333 -7.015 421 HA2 GLY 52 2HA GLY 52 -1.037 -1.887 -8.214 422 HA3 GLY 52 3HA GLY 52 -2.145 -3.122 -7.633 423 H VAL 53 H VAL 53 -1.448 -3.068 -4.879 424 HA VAL 53 HA VAL 53 -3.104 -1.036 -3.903 425 HB VAL 53 HB VAL 53 -0.999 -2.652 -2.451 426 HG11 VAL 53 1HG1 VAL 53 -1.516 -0.645 -1.163 427 HG12 VAL 53 2HG1 VAL 53 -2.201 -2.070 -0.383 428 HG13 VAL 53 3HG1 VAL 53 -3.243 -0.983 -1.301 429 HG21 VAL 53 3HG2 VAL 53 -2.719 -4.030 -3.462 430 HG22 VAL 53 1HG2 VAL 53 -3.983 -3.028 -2.746 431 HG23 VAL 53 2HG2 VAL 53 -2.936 -4.000 -1.713 432 H CYS 54 H CYS 54 0.471 -1.218 -3.823 433 HA CYS 54 HA CYS 54 0.951 1.262 -2.605 434 HB2 CYS 54 2HB CYS 54 2.652 -0.143 -4.688 435 HB3 CYS 54 3HB CYS 54 3.200 1.149 -3.625 436 HG CYS 54 HG CYS 54 1.989 -1.070 -1.637 437 H THR 55 H THR 55 0.415 0.427 -5.983 438 HA THR 55 HA THR 55 0.950 2.961 -7.115 439 HB THR 55 HB THR 55 -0.908 0.810 -8.175 440 HG1 THR 55 HG1 THR 55 0.965 -0.234 -8.204 441 HG21 THR 55 3HG2 THR 55 0.538 3.058 -9.596 442 HG22 THR 55 1HG2 THR 55 -1.203 2.947 -9.330 443 HG23 THR 55 2HG2 THR 55 -0.394 1.783 -10.380 444 H GLU 56 H GLU 56 -2.164 1.426 -6.224 445 HA GLU 56 HA GLU 56 -3.873 3.552 -6.827 446 HB2 GLU 56 2HB GLU 56 -4.091 1.457 -4.650 447 HB3 GLU 56 3HB GLU 56 -5.400 2.537 -5.104 448 HG2 GLU 56 2HG GLU 56 -4.085 0.560 -6.961 449 HG3 GLU 56 3HG GLU 56 -5.582 0.270 -6.077 450 H ALA 57 H ALA 57 -2.208 2.798 -3.774 451 HA ALA 57 HA ALA 57 -3.143 4.886 -2.193 452 HB1 ALA 57 3HB ALA 57 -0.382 3.657 -2.141 453 HB2 ALA 57 1HB ALA 57 -1.812 3.012 -1.334 454 HB3 ALA 57 2HB ALA 57 -1.142 4.566 -0.833 455 H GLY 58 H GLY 58 -0.277 4.845 -4.332 456 HA2 GLY 58 2HA GLY 58 0.567 7.488 -3.930 457 HA3 GLY 58 3HA GLY 58 0.831 6.557 -5.398 458 H MET 59 H MET 59 -1.810 6.203 -6.235 459 HA MET 59 HA MET 59 -2.348 8.608 -7.594 460 HB2 MET 59 2HB MET 59 -4.194 6.258 -7.094 461 HB3 MET 59 3HB MET 59 -4.469 7.526 -8.278 462 HG2 MET 59 2HG MET 59 -1.941 5.955 -8.423 463 HG3 MET 59 3HG MET 59 -3.441 5.209 -8.962 464 HE1 MET 59 3HE MET 59 -0.812 8.023 -9.543 465 HE2 MET 59 1HE MET 59 -2.235 9.044 -9.341 466 HE3 MET 59 2HE MET 59 -1.466 8.906 -10.922 467 H TYR 60 H TYR 60 -3.890 7.177 -4.726 468 HA TYR 60 HA TYR 60 -5.897 9.124 -4.380 469 HB2 TYR 60 2HB TYR 60 -4.533 7.488 -2.225 470 HB3 TYR 60 3HB TYR 60 -6.091 8.296 -2.085 471 HD1 TYR 60 HD2 TYR 60 -6.876 7.452 -5.046 472 HD2 TYR 60 HD1 TYR 60 -5.505 5.343 -1.610 473 HE1 TYR 60 HE2 TYR 60 -7.986 5.417 -5.860 474 HE2 TYR 60 HE1 TYR 60 -6.612 3.302 -2.416 475 HH TYR 60 HH TYR 60 -7.690 2.909 -5.553 476 H ALA 61 H ALA 61 -2.633 8.898 -2.981 477 HA ALA 61 HA ALA 61 -2.656 11.237 -1.466 478 HB1 ALA 61 3HB ALA 61 -0.876 9.548 -1.364 479 HB2 ALA 61 1HB ALA 61 -0.225 11.171 -1.602 480 HB3 ALA 61 2HB ALA 61 -0.316 10.049 -2.960 481 H LEU 62 H LEU 62 -1.612 10.816 -4.860 482 HA LEU 62 HA LEU 62 -0.907 13.484 -5.344 483 HB2 LEU 62 2HB LEU 62 -1.897 11.386 -7.278 484 HB3 LEU 62 3HB LEU 62 -1.195 12.920 -7.757 485 HG LEU 62 HG LEU 62 0.224 10.726 -6.234 486 HD11 LEU 62 1HD1 LEU 62 0.561 11.700 -9.072 487 HD12 LEU 62 2HD1 LEU 62 -0.139 10.159 -8.574 488 HD13 LEU 62 3HD1 LEU 62 1.565 10.491 -8.269 489 HD21 LEU 62 3HD2 LEU 62 1.024 12.915 -5.540 490 HD22 LEU 62 1HD2 LEU 62 1.251 13.388 -7.223 491 HD23 LEU 62 2HD2 LEU 62 2.237 12.102 -6.526 492 H ARG 63 H ARG 63 -4.036 11.857 -6.048 493 HA ARG 63 HA ARG 63 -5.271 14.133 -7.181 494 HB2 ARG 63 2HB ARG 63 -7.398 12.972 -6.858 495 HB3 ARG 63 3HB ARG 63 -6.178 11.887 -7.507 496 HG2 ARG 63 2HG ARG 63 -5.913 10.784 -5.425 497 HG3 ARG 63 3HG ARG 63 -6.843 12.019 -4.575 498 HD2 ARG 63 2HD ARG 63 -7.967 10.202 -6.709 499 HD3 ARG 63 3HD ARG 63 -8.092 9.901 -4.975 500 HE ARG 63 HE ARG 63 -9.093 12.446 -5.416 501 HH11 ARG 63 1HH1 ARG 63 -9.853 9.253 -6.451 502 HH12 ARG 63 2HH1 ARG 63 -11.555 9.557 -6.499 503 HH21 ARG 63 1HH2 ARG 63 -11.271 12.831 -5.492 504 HH22 ARG 63 2HH2 ARG 63 -12.356 11.563 -5.943 505 H GLU 64 H GLU 64 -4.965 13.089 -3.829 506 HA GLU 64 HA GLU 64 -6.625 15.321 -2.914 507 HB2 GLU 64 2HB GLU 64 -5.246 13.093 -1.406 508 HB3 GLU 64 3HB GLU 64 -6.138 14.392 -0.627 509 HG2 GLU 64 2HG GLU 64 -8.149 13.688 -1.960 510 HG3 GLU 64 3HG GLU 64 -7.223 12.282 -2.483 511 H ARG 65 H ARG 65 -3.702 15.290 -4.103 512 HA ARG 65 HA ARG 65 -1.943 16.719 -4.048 513 HB2 ARG 65 2HB ARG 65 -3.611 18.360 -2.131 514 HB3 ARG 65 3HB ARG 65 -2.289 18.932 -3.138 515 HG2 ARG 65 2HG ARG 65 -4.955 17.906 -4.118 516 HG3 ARG 65 3HG ARG 65 -4.441 19.592 -4.063 517 HD2 ARG 65 2HD ARG 65 -3.140 17.415 -5.707 518 HD3 ARG 65 3HD ARG 65 -4.257 18.632 -6.323 519 HE ARG 65 HE ARG 65 -2.025 19.814 -5.004 520 HH11 ARG 65 1HH1 ARG 65 -3.007 18.355 -7.983 521 HH12 ARG 65 2HH1 ARG 65 -1.809 19.200 -8.901 522 HH21 ARG 65 1HH2 ARG 65 -0.524 20.895 -6.201 523 HH22 ARG 65 2HH2 ARG 65 -0.441 20.642 -7.913 524 H ARG 66 H ARG 66 -2.317 14.628 -1.860 525 HA ARG 66 HA ARG 66 -1.062 15.628 0.499 526 HB2 ARG 66 2HB ARG 66 -1.434 12.790 -0.490 527 HB3 ARG 66 3HB ARG 66 -0.860 13.221 1.115 528 HG2 ARG 66 2HG ARG 66 -2.977 14.305 1.614 529 HG3 ARG 66 3HG ARG 66 -3.557 13.962 -0.017 530 HD2 ARG 66 2HD ARG 66 -3.498 11.582 0.413 531 HD3 ARG 66 3HD ARG 66 -2.754 11.847 1.990 532 HE ARG 66 HE ARG 66 -5.151 13.246 1.964 533 HH11 ARG 66 1HH1 ARG 66 -4.140 9.946 1.716 534 HH12 ARG 66 2HH1 ARG 66 -5.564 9.354 2.490 535 HH21 ARG 66 1HH2 ARG 66 -6.966 12.453 2.946 536 HH22 ARG 66 2HH2 ARG 66 -7.145 10.752 3.184 537 H VAL 67 H VAL 67 1.053 15.861 0.966 538 HA VAL 67 HA VAL 67 3.058 15.298 -1.031 539 HB VAL 67 HB VAL 67 3.499 16.229 1.818 540 HG11 VAL 67 1HG1 VAL 67 5.609 17.140 0.940 541 HG12 VAL 67 2HG1 VAL 67 5.254 16.426 -0.634 542 HG13 VAL 67 3HG1 VAL 67 5.520 15.386 0.767 543 HG21 VAL 67 3HG2 VAL 67 1.970 17.747 0.669 544 HG22 VAL 67 1HG2 VAL 67 3.104 17.892 -0.674 545 HG23 VAL 67 2HG2 VAL 67 3.541 18.508 0.920 546 H HIS 68 H HIS 68 2.156 13.962 2.126 547 HA HIS 68 HA HIS 68 3.985 11.700 1.601 548 HB2 HIS 68 2HB HIS 68 4.237 11.366 3.984 549 HB3 HIS 68 3HB HIS 68 4.645 13.029 3.590 550 HD1 HIS 68 HD1 HIS 68 2.922 14.872 4.373 551 HD2 HIS 68 HD2 HIS 68 2.142 11.040 5.770 552 HE1 HIS 68 HE1 HIS 68 1.295 15.166 6.255 553 HE2 HIS 68 HE2 HIS 68 0.988 12.856 7.202 554 H VAL 69 H VAL 69 3.031 9.836 1.194 555 HA VAL 69 HA VAL 69 0.237 9.410 1.347 556 HB VAL 69 HB VAL 69 2.401 7.295 1.110 557 HG11 VAL 69 1HG1 VAL 69 -0.484 7.298 0.194 558 HG12 VAL 69 2HG1 VAL 69 0.174 6.392 1.557 559 HG13 VAL 69 3HG1 VAL 69 0.688 6.009 -0.085 560 HG21 VAL 69 3HG2 VAL 69 2.756 9.053 -0.555 561 HG22 VAL 69 1HG2 VAL 69 1.084 8.893 -1.095 562 HG23 VAL 69 2HG2 VAL 69 2.214 7.556 -1.313 563 H THR 70 H THR 70 -1.012 8.546 2.929 564 HA THR 70 HA THR 70 0.294 7.846 5.475 565 HB THR 70 HB THR 70 -1.822 8.211 6.561 566 HG1 THR 70 HG1 THR 70 -2.919 8.531 3.937 567 HG21 THR 70 3HG2 THR 70 -0.560 10.245 6.066 568 HG22 THR 70 1HG2 THR 70 -2.294 10.561 5.982 569 HG23 THR 70 2HG2 THR 70 -1.359 10.378 4.498 570 H GLN 71 H GLN 71 -1.162 6.152 6.766 571 HA GLN 71 HA GLN 71 -1.022 3.694 5.327 572 HB2 GLN 71 2HB GLN 71 -0.652 3.851 7.770 573 HB3 GLN 71 3HB GLN 71 -2.346 4.273 7.991 574 HG2 GLN 71 2HG GLN 71 -3.000 2.093 7.083 575 HG3 GLN 71 3HG GLN 71 -1.300 1.675 6.879 576 HE21 GLN 71 1HE2 GLN 71 -3.381 0.415 8.487 577 HE22 GLN 71 2HE2 GLN 71 -2.772 0.382 10.104 578 H GLU 72 H GLU 72 -3.506 6.025 5.943 579 HA GLU 72 HA GLU 72 -5.836 4.547 5.550 580 HB2 GLU 72 2HB GLU 72 -5.447 7.367 4.529 581 HB3 GLU 72 3HB GLU 72 -6.933 6.622 5.095 582 HG2 GLU 72 2HG GLU 72 -4.556 7.426 6.761 583 HG3 GLU 72 3HG GLU 72 -6.142 8.190 6.731 584 H ASP 73 H ASP 73 -3.792 6.209 3.163 585 HA ASP 73 HA ASP 73 -5.297 5.715 0.870 586 HB2 ASP 73 2HB ASP 73 -2.281 5.867 1.096 587 HB3 ASP 73 3HB ASP 73 -3.221 6.110 -0.373 588 H PHE 74 H PHE 74 -2.777 3.701 2.377 589 HA PHE 74 HA PHE 74 -2.711 1.713 0.366 590 HB2 PHE 74 2HB PHE 74 -1.862 1.702 3.261 591 HB3 PHE 74 3HB PHE 74 -1.687 0.283 2.234 592 HD1 PHE 74 HD1 PHE 74 -0.505 3.693 2.882 593 HD2 PHE 74 HD2 PHE 74 -0.057 0.222 0.452 594 HE1 PHE 74 HE1 PHE 74 1.634 4.560 2.033 595 HE2 PHE 74 HE2 PHE 74 2.081 1.088 -0.397 596 HZ PHE 74 HZ PHE 74 2.930 3.258 0.388 597 H GLU 75 H GLU 75 -4.434 1.716 3.524 598 HA GLU 75 HA GLU 75 -5.605 -0.838 3.068 599 HB2 GLU 75 2HB GLU 75 -7.108 -0.250 4.995 600 HB3 GLU 75 3HB GLU 75 -5.385 -0.167 5.327 601 HG2 GLU 75 2HG GLU 75 -5.505 2.302 5.008 602 HG3 GLU 75 3HG GLU 75 -7.256 2.148 4.861 603 H MET 76 H MET 76 -6.726 2.446 2.375 604 HA MET 76 HA MET 76 -9.304 1.785 1.439 605 HB2 MET 76 2HB MET 76 -7.377 3.977 0.662 606 HB3 MET 76 3HB MET 76 -8.962 3.828 -0.087 607 HG2 MET 76 2HG MET 76 -8.462 4.183 2.864 608 HG3 MET 76 3HG MET 76 -8.920 5.466 1.741 609 HE1 MET 76 3HE MET 76 -11.015 3.841 -0.148 610 HE2 MET 76 1HE MET 76 -11.237 5.498 0.419 611 HE3 MET 76 2HE MET 76 -12.518 4.307 0.646 612 H ALA 77 H ALA 77 -6.172 1.854 -0.231 613 HA ALA 77 HA ALA 77 -7.026 1.084 -2.783 614 HB1 ALA 77 3HB ALA 77 -4.710 0.376 -3.156 615 HB2 ALA 77 1HB ALA 77 -4.403 0.460 -1.419 616 HB3 ALA 77 2HB ALA 77 -4.782 1.928 -2.321 617 H VAL 78 H VAL 78 -5.819 -0.984 -0.117 618 HA VAL 78 HA VAL 78 -6.112 -3.470 -1.330 619 HB VAL 78 HB VAL 78 -6.576 -2.821 1.593 620 HG11 VAL 78 1HG1 VAL 78 -7.442 -5.022 1.034 621 HG12 VAL 78 2HG1 VAL 78 -5.968 -5.180 1.987 622 HG13 VAL 78 3HG1 VAL 78 -5.923 -5.448 0.245 623 HG21 VAL 78 3HG2 VAL 78 -4.388 -2.057 0.817 624 HG22 VAL 78 1HG2 VAL 78 -4.047 -3.659 0.161 625 HG23 VAL 78 2HG2 VAL 78 -4.223 -3.436 1.902 626 H ALA 79 H ALA 79 -8.526 -1.595 0.482 627 HA ALA 79 HA ALA 79 -10.646 -3.414 0.409 628 HB1 ALA 79 3HB ALA 79 -12.108 -1.478 0.740 629 HB2 ALA 79 1HB ALA 79 -10.787 -0.397 0.290 630 HB3 ALA 79 2HB ALA 79 -10.671 -1.370 1.757 631 H LYS 80 H LYS 80 -9.785 -0.876 -1.936 632 HA LYS 80 HA LYS 80 -11.928 -1.420 -3.736 633 HB2 LYS 80 2HB LYS 80 -10.896 0.760 -3.704 634 HB3 LYS 80 3HB LYS 80 -9.323 0.076 -4.091 635 HG2 LYS 80 2HG LYS 80 -10.108 -0.555 -6.303 636 HG3 LYS 80 3HG LYS 80 -11.724 0.044 -5.920 637 HD2 LYS 80 2HD LYS 80 -10.918 2.299 -5.758 638 HD3 LYS 80 3HD LYS 80 -9.241 1.762 -5.891 639 HE2 LYS 80 2HE LYS 80 -11.328 1.433 -8.052 640 HE3 LYS 80 3HE LYS 80 -10.140 2.734 -7.990 641 HZ1 LYS 80 3HZ LYS 80 -9.525 -0.164 -8.181 642 HZ2 LYS 80 1HZ LYS 80 -8.379 1.077 -8.091 643 HZ3 LYS 80 2HZ LYS 80 -9.399 0.963 -9.434 644 H VAL 81 H VAL 81 -8.691 -2.732 -3.427 645 HA VAL 81 HA VAL 81 -8.682 -3.982 -6.037 646 HB VAL 81 HB VAL 81 -6.850 -4.393 -3.657 647 HG11 VAL 81 1HG1 VAL 81 -6.549 -5.398 -6.496 648 HG12 VAL 81 2HG1 VAL 81 -6.863 -6.388 -5.071 649 HG13 VAL 81 3HG1 VAL 81 -5.332 -5.527 -5.223 650 HG21 VAL 81 3HG2 VAL 81 -6.453 -2.833 -6.219 651 HG22 VAL 81 1HG2 VAL 81 -5.250 -3.055 -4.946 652 HG23 VAL 81 2HG2 VAL 81 -6.725 -2.146 -4.618 653 H MET 82 H MET 82 -8.859 -5.260 -2.692 654 HA MET 82 HA MET 82 -9.544 -7.904 -3.647 655 HB2 MET 82 2HB MET 82 -9.409 -6.816 -0.828 656 HB3 MET 82 3HB MET 82 -9.599 -8.511 -1.258 657 HG2 MET 82 2HG MET 82 -7.215 -6.766 -1.860 658 HG3 MET 82 3HG MET 82 -7.304 -8.047 -0.653 659 HE1 MET 82 3HE MET 82 -7.629 -11.250 -2.904 660 HE2 MET 82 1HE MET 82 -8.923 -10.314 -2.159 661 HE3 MET 82 2HE MET 82 -7.447 -10.654 -1.256 662 H GLN 83 H GLN 83 -11.307 -5.099 -2.845 663 HA GLN 83 HA GLN 83 -13.522 -4.616 -2.724 664 HB2 GLN 83 2HB GLN 83 -13.762 -7.269 -4.161 665 HB3 GLN 83 3HB GLN 83 -15.053 -6.080 -4.018 666 HG2 GLN 83 2HG GLN 83 -13.749 -4.464 -5.278 667 HG3 GLN 83 3HG GLN 83 -12.400 -5.596 -5.373 668 HE21 GLN 83 1HE2 GLN 83 -13.956 -4.330 -7.507 669 HE22 GLN 83 2HE2 GLN 83 -14.606 -5.619 -8.450 670 H LYS 84 H LYS 84 -12.445 -5.849 -0.405 671 HA LYS 84 HA LYS 84 -14.618 -7.606 0.539 672 HB2 LYS 84 2HB LYS 84 -11.801 -7.233 1.578 673 HB3 LYS 84 3HB LYS 84 -13.013 -8.245 2.352 674 HG2 LYS 84 2HG LYS 84 -11.959 -8.631 -0.449 675 HG3 LYS 84 3HG LYS 84 -11.442 -9.537 0.977 676 HD2 LYS 84 2HD LYS 84 -13.690 -10.427 1.260 677 HD3 LYS 84 3HD LYS 84 -14.269 -9.460 -0.097 678 HE2 LYS 84 2HE LYS 84 -12.156 -11.612 -0.281 679 HE3 LYS 84 3HE LYS 84 -13.857 -11.828 -0.695 680 HZ1 LYS 84 3HZ LYS 84 -12.372 -11.358 -2.612 681 HZ2 LYS 84 1HZ LYS 84 -12.103 -9.814 -1.986 682 HZ3 LYS 84 2HZ LYS 84 -13.658 -10.275 -2.461 683 H ASP 85 H ASP 85 -15.709 -7.210 2.422 684 HA ASP 85 HA ASP 85 -15.310 -4.574 3.696 685 HB2 ASP 85 2HB ASP 85 -17.832 -6.260 3.631 686 HB3 ASP 85 3HB ASP 85 -17.674 -4.637 4.293 687 H SER 86 H SER 86 -16.107 -4.579 6.069 688 HA SER 86 HA SER 86 -15.878 -7.113 7.472 689 HB2 SER 86 2HB SER 86 -13.821 -4.927 7.880 690 HB3 SER 86 3HB SER 86 -14.068 -6.256 9.012 691 HG SER 86 HG SER 86 -13.676 -6.886 6.314 Start of MODEL 19 1 H1 MET 1 1H MET 1 2.465 -23.251 -9.567 2 H2 MET 1 2H MET 1 2.223 -24.828 -9.011 3 H3 MET 1 3H MET 1 1.011 -24.052 -9.897 4 HA MET 1 HA MET 1 2.407 -23.998 -11.847 5 HB2 MET 1 2HB MET 1 4.576 -23.864 -10.767 6 HB3 MET 1 3HB MET 1 4.371 -25.467 -10.072 7 HG2 MET 1 2HG MET 1 5.886 -25.366 -12.051 8 HG3 MET 1 3HG MET 1 4.547 -26.504 -12.207 9 HE1 MET 1 3HE MET 1 4.795 -26.684 -14.802 10 HE2 MET 1 1HE MET 1 6.196 -25.616 -14.744 11 HE3 MET 1 2HE MET 1 4.891 -25.298 -15.886 12 H GLY 2 H GLY 2 1.984 -25.534 -13.374 13 HA2 GLY 2 2HA GLY 2 1.664 -27.721 -14.202 14 HA3 GLY 2 3HA GLY 2 1.504 -28.311 -12.556 15 H HIS 3 H HIS 3 -0.422 -29.412 -12.882 16 HA HIS 3 HA HIS 3 -2.780 -27.677 -13.235 17 HB2 HIS 3 2HB HIS 3 -2.423 -30.454 -14.387 18 HB3 HIS 3 3HB HIS 3 -3.923 -29.534 -14.422 19 HD1 HIS 3 HD1 HIS 3 -0.986 -30.202 -16.386 20 HD2 HIS 3 HD2 HIS 3 -3.568 -26.983 -15.922 21 HE1 HIS 3 HE1 HIS 3 -0.625 -28.758 -18.405 22 HE2 HIS 3 HE2 HIS 3 -2.075 -26.745 -18.024 23 H HIS 4 H HIS 4 -2.438 -31.168 -12.523 24 HA HIS 4 HA HIS 4 -4.220 -30.758 -10.231 25 HB2 HIS 4 2HB HIS 4 -3.452 -33.249 -11.761 26 HB3 HIS 4 3HB HIS 4 -4.403 -33.287 -10.279 27 HD1 HIS 4 HD1 HIS 4 -4.586 -32.072 -13.849 28 HD2 HIS 4 HD2 HIS 4 -7.079 -32.691 -10.585 29 HE1 HIS 4 HE1 HIS 4 -6.915 -31.762 -14.717 30 HE2 HIS 4 HE2 HIS 4 -8.409 -32.124 -12.732 31 H HIS 5 H HIS 5 -2.578 -29.832 -8.888 32 HA HIS 5 HA HIS 5 -1.034 -31.931 -7.493 33 HB2 HIS 5 2HB HIS 5 -0.223 -29.033 -7.876 34 HB3 HIS 5 3HB HIS 5 0.622 -30.188 -6.849 35 HD1 HIS 5 HD1 HIS 5 1.914 -32.123 -8.071 36 HD2 HIS 5 HD2 HIS 5 0.341 -29.215 -10.586 37 HE1 HIS 5 HE1 HIS 5 3.043 -32.470 -10.283 38 HE2 HIS 5 HE2 HIS 5 1.968 -30.799 -11.824 39 H HIS 6 H HIS 6 -2.188 -32.351 -5.721 40 HA HIS 6 HA HIS 6 -4.319 -30.787 -4.866 41 HB2 HIS 6 2HB HIS 6 -4.010 -33.265 -4.564 42 HB3 HIS 6 3HB HIS 6 -2.955 -32.906 -3.202 43 HD1 HIS 6 HD1 HIS 6 -6.272 -31.248 -4.019 44 HD2 HIS 6 HD2 HIS 6 -4.549 -33.664 -1.108 45 HE1 HIS 6 HE1 HIS 6 -7.992 -31.450 -2.210 46 HE2 HIS 6 HE2 HIS 6 -6.889 -32.809 -0.407 47 H HIS 7 H HIS 7 -0.996 -30.555 -3.868 48 HA HIS 7 HA HIS 7 -1.767 -28.841 -1.594 49 HB2 HIS 7 2HB HIS 7 0.857 -30.170 -2.282 50 HB3 HIS 7 3HB HIS 7 0.694 -28.972 -1.000 51 HD1 HIS 7 HD1 HIS 7 -0.681 -29.671 1.109 52 HD2 HIS 7 HD2 HIS 7 -0.121 -32.704 -1.673 53 HE1 HIS 7 HE1 HIS 7 -1.284 -31.797 2.301 54 HE2 HIS 7 HE2 HIS 7 -1.146 -33.580 0.533 55 H HIS 8 H HIS 8 -2.159 -26.834 -2.315 56 HA HIS 8 HA HIS 8 -0.319 -25.543 -4.201 57 HB2 HIS 8 2HB HIS 8 -2.979 -24.665 -3.047 58 HB3 HIS 8 3HB HIS 8 -2.007 -23.673 -4.127 59 HD1 HIS 8 HD1 HIS 8 -4.019 -26.861 -4.089 60 HD2 HIS 8 HD2 HIS 8 -2.253 -24.272 -6.814 61 HE1 HIS 8 HE1 HIS 8 -4.824 -27.612 -6.341 62 HE2 HIS 8 HE2 HIS 8 -3.896 -25.918 -7.948 63 H SER 9 H SER 9 -0.214 -22.966 -3.530 64 HA SER 9 HA SER 9 0.464 -22.736 -0.684 65 HB2 SER 9 2HB SER 9 2.571 -23.338 -1.833 66 HB3 SER 9 3HB SER 9 2.391 -21.934 -2.885 67 HG SER 9 HG SER 9 3.602 -21.107 -1.325 68 H HIS 10 H HIS 10 0.958 -20.457 -0.057 69 HA HIS 10 HA HIS 10 -0.321 -18.422 -1.727 70 HB2 HIS 10 2HB HIS 10 -1.731 -17.650 0.164 71 HB3 HIS 10 3HB HIS 10 -2.159 -19.273 -0.363 72 HD1 HIS 10 HD1 HIS 10 -0.938 -17.361 2.561 73 HD2 HIS 10 HD2 HIS 10 -1.421 -21.344 1.486 74 HE1 HIS 10 HE1 HIS 10 -0.751 -18.657 4.696 75 HE2 HIS 10 HE2 HIS 10 -0.920 -21.067 4.008 76 HA PRO 11 HA PRO 11 3.097 -16.005 -0.208 77 HB2 PRO 11 2HB PRO 11 2.039 -13.480 -0.468 78 HB3 PRO 11 3HB PRO 11 2.695 -14.423 -1.810 79 HG2 PRO 11 2HG PRO 11 -0.157 -14.069 -0.960 80 HG3 PRO 11 3HG PRO 11 0.536 -14.056 -2.593 81 HD2 PRO 11 2HD PRO 11 -0.745 -16.217 -1.616 82 HD3 PRO 11 3HD PRO 11 0.662 -16.380 -2.692 83 H ASN 12 H ASN 12 3.631 -15.956 1.872 84 HA ASN 12 HA ASN 12 1.889 -15.705 4.047 85 HB2 ASN 12 2HB ASN 12 4.080 -16.764 4.242 86 HB3 ASN 12 3HB ASN 12 4.882 -15.233 3.905 87 HD21 ASN 12 1HD2 ASN 12 6.001 -15.236 5.837 88 HD22 ASN 12 2HD2 ASN 12 5.232 -14.983 7.363 89 H GLU 13 H GLU 13 1.507 -14.048 5.534 90 HA GLU 13 HA GLU 13 1.012 -11.487 4.645 91 HB2 GLU 13 2HB GLU 13 0.017 -12.387 6.660 92 HB3 GLU 13 3HB GLU 13 1.584 -12.483 7.444 93 HG2 GLU 13 2HG GLU 13 1.103 -9.775 6.617 94 HG3 GLU 13 3HG GLU 13 -0.285 -10.369 7.527 95 H GLU 14 H GLU 14 3.793 -12.499 6.626 96 HA GLU 14 HA GLU 14 5.122 -10.004 6.538 97 HB2 GLU 14 2HB GLU 14 6.315 -12.744 7.022 98 HB3 GLU 14 3HB GLU 14 7.023 -11.199 7.484 99 HG2 GLU 14 2HG GLU 14 5.155 -10.787 9.003 100 HG3 GLU 14 3HG GLU 14 4.430 -12.325 8.537 101 H ALA 15 H ALA 15 5.104 -12.707 4.324 102 HA ALA 15 HA ALA 15 7.455 -12.056 2.863 103 HB1 ALA 15 3HB ALA 15 6.398 -14.273 2.766 104 HB2 ALA 15 1HB ALA 15 6.603 -13.574 1.160 105 HB3 ALA 15 2HB ALA 15 5.016 -13.571 1.927 106 H ARG 16 H ARG 16 3.994 -11.395 2.196 107 HA ARG 16 HA ARG 16 4.552 -9.741 -0.056 108 HB2 ARG 16 2HB ARG 16 2.180 -9.060 0.075 109 HB3 ARG 16 3HB ARG 16 2.396 -10.804 0.097 110 HG2 ARG 16 2HG ARG 16 2.107 -10.745 2.574 111 HG3 ARG 16 3HG ARG 16 1.729 -9.026 2.439 112 HD2 ARG 16 2HD ARG 16 -0.171 -9.540 0.991 113 HD3 ARG 16 3HD ARG 16 0.222 -11.258 1.063 114 HE ARG 16 HE ARG 16 -0.816 -9.635 3.281 115 HH11 ARG 16 1HH1 ARG 16 -0.146 -12.715 1.884 116 HH12 ARG 16 2HH1 ARG 16 -1.053 -13.570 3.078 117 HH21 ARG 16 1HH2 ARG 16 -1.979 -10.754 4.800 118 HH22 ARG 16 2HH2 ARG 16 -2.074 -12.480 4.703 119 H LEU 17 H LEU 17 4.140 -9.103 3.377 120 HA LEU 17 HA LEU 17 4.127 -6.336 3.447 121 HB2 LEU 17 2HB LEU 17 3.946 -7.615 5.474 122 HB3 LEU 17 3HB LEU 17 5.532 -8.325 5.234 123 HG LEU 17 HG LEU 17 6.581 -6.131 5.629 124 HD11 LEU 17 1HD1 LEU 17 3.775 -5.169 6.167 125 HD12 LEU 17 2HD1 LEU 17 4.799 -4.694 4.813 126 HD13 LEU 17 3HD1 LEU 17 5.254 -4.253 6.458 127 HD21 LEU 17 3HD2 LEU 17 6.265 -7.647 7.513 128 HD22 LEU 17 1HD2 LEU 17 4.668 -6.959 7.813 129 HD23 LEU 17 2HD2 LEU 17 6.110 -5.965 8.023 130 H ASP 18 H ASP 18 6.913 -8.506 3.036 131 HA ASP 18 HA ASP 18 8.939 -6.567 3.055 132 HB2 ASP 18 2HB ASP 18 9.226 -9.081 3.145 133 HB3 ASP 18 3HB ASP 18 8.958 -9.104 1.402 134 H ILE 19 H ILE 19 7.014 -7.852 0.360 135 HA ILE 19 HA ILE 19 8.175 -6.445 -1.762 136 HB ILE 19 HB ILE 19 5.219 -7.040 -1.493 137 HG12 ILE 19 2HG1 ILE 19 7.353 -8.885 -2.601 138 HG13 ILE 19 3HG1 ILE 19 6.659 -9.043 -0.989 139 HG21 ILE 19 1HG2 ILE 19 5.799 -5.614 -3.384 140 HG22 ILE 19 2HG2 ILE 19 5.287 -7.204 -3.945 141 HG23 ILE 19 3HG2 ILE 19 7.000 -6.788 -3.922 142 HD11 ILE 19 3HD1 ILE 19 4.453 -9.393 -1.973 143 HD12 ILE 19 1HD1 ILE 19 5.621 -10.586 -2.548 144 HD13 ILE 19 2HD1 ILE 19 5.149 -9.242 -3.589 145 H LEU 20 H LEU 20 5.436 -5.538 0.325 146 HA LEU 20 HA LEU 20 4.872 -3.004 -0.670 147 HB2 LEU 20 2HB LEU 20 4.751 -4.033 2.171 148 HB3 LEU 20 3HB LEU 20 4.037 -2.518 1.648 149 HG LEU 20 HG LEU 20 3.257 -5.171 0.434 150 HD11 LEU 20 1HD1 LEU 20 2.799 -5.267 2.832 151 HD12 LEU 20 2HD1 LEU 20 1.310 -5.173 1.895 152 HD13 LEU 20 3HD1 LEU 20 1.915 -3.742 2.731 153 HD21 LEU 20 3HD2 LEU 20 2.720 -3.189 -0.887 154 HD22 LEU 20 1HD2 LEU 20 1.891 -2.475 0.498 155 HD23 LEU 20 2HD2 LEU 20 1.255 -3.939 -0.255 156 H LYS 21 H LYS 21 7.241 -3.936 1.820 157 HA LYS 21 HA LYS 21 8.244 -1.369 2.375 158 HB2 LYS 21 2HB LYS 21 9.543 -4.092 2.535 159 HB3 LYS 21 3HB LYS 21 10.336 -2.622 3.088 160 HG2 LYS 21 2HG LYS 21 8.522 -2.255 4.700 161 HG3 LYS 21 3HG LYS 21 7.744 -3.741 4.152 162 HD2 LYS 21 2HD LYS 21 9.549 -5.083 4.958 163 HD3 LYS 21 3HD LYS 21 10.553 -3.661 5.259 164 HE2 LYS 21 2HE LYS 21 7.961 -4.275 6.686 165 HE3 LYS 21 3HE LYS 21 9.568 -4.624 7.324 166 HZ1 LYS 21 3HZ LYS 21 8.578 -1.914 6.607 167 HZ2 LYS 21 1HZ LYS 21 10.073 -2.284 7.298 168 HZ3 LYS 21 2HZ LYS 21 8.655 -2.536 8.174 169 H ILE 22 H ILE 22 9.081 -3.670 -0.178 170 HA ILE 22 HA ILE 22 11.433 -2.366 -1.075 171 HB ILE 22 HB ILE 22 9.550 -4.186 -2.594 172 HG12 ILE 22 2HG1 ILE 22 12.174 -4.770 -1.190 173 HG13 ILE 22 3HG1 ILE 22 10.581 -5.208 -0.588 174 HG21 ILE 22 1HG2 ILE 22 12.356 -3.305 -3.294 175 HG22 ILE 22 2HG2 ILE 22 10.879 -2.881 -4.160 176 HG23 ILE 22 3HG2 ILE 22 11.439 -4.553 -4.140 177 HD11 ILE 22 3HD1 ILE 22 11.885 -6.246 -3.094 178 HD12 ILE 22 1HD1 ILE 22 10.264 -6.665 -2.535 179 HD13 ILE 22 2HD1 ILE 22 11.674 -7.117 -1.577 180 H HIS 23 H HIS 23 8.065 -2.188 -2.299 181 HA HIS 23 HA HIS 23 8.706 -0.319 -4.370 182 HB2 HIS 23 2HB HIS 23 6.060 -1.142 -3.158 183 HB3 HIS 23 3HB HIS 23 6.199 -0.039 -4.525 184 HD1 HIS 23 HD1 HIS 23 6.579 -1.055 -6.811 185 HD2 HIS 23 HD2 HIS 23 6.852 -3.833 -3.733 186 HE1 HIS 23 HE1 HIS 23 6.646 -3.297 -7.932 187 HE2 HIS 23 HE2 HIS 23 7.040 -4.933 -6.063 188 H SER 24 H SER 24 7.488 0.040 -1.068 189 HA SER 24 HA SER 24 6.757 2.763 -1.233 190 HB2 SER 24 2HB SER 24 7.610 1.155 1.190 191 HB3 SER 24 3HB SER 24 6.835 2.740 1.244 192 HG SER 24 HG SER 24 5.733 0.276 0.831 193 H ARG 25 H ARG 25 9.859 1.375 -1.266 194 HA ARG 25 HA ARG 25 11.421 3.293 0.064 195 HB2 ARG 25 2HB ARG 25 12.073 1.559 -2.331 196 HB3 ARG 25 3HB ARG 25 13.268 2.509 -1.457 197 HG2 ARG 25 2HG ARG 25 12.969 1.206 0.523 198 HG3 ARG 25 3HG ARG 25 11.572 0.379 -0.165 199 HD2 ARG 25 2HD ARG 25 13.498 -1.078 -0.246 200 HD3 ARG 25 3HD ARG 25 13.039 -0.621 -1.884 201 HE ARG 25 HE ARG 25 14.952 1.179 -1.302 202 HH11 ARG 25 1HH1 ARG 25 14.837 -2.257 -0.976 203 HH12 ARG 25 2HH1 ARG 25 16.536 -2.446 -1.221 204 HH21 ARG 25 1HH2 ARG 25 17.132 0.918 -1.620 205 HH22 ARG 25 2HH2 ARG 25 17.827 -0.665 -1.576 206 H LYS 26 H LYS 26 9.636 3.602 -2.854 207 HA LYS 26 HA LYS 26 11.301 5.844 -3.798 208 HB2 LYS 26 2HB LYS 26 9.092 4.388 -5.266 209 HB3 LYS 26 3HB LYS 26 10.202 5.570 -5.948 210 HG2 LYS 26 2HG LYS 26 10.946 2.851 -4.873 211 HG3 LYS 26 3HG LYS 26 10.828 3.302 -6.575 212 HD2 LYS 26 2HD LYS 26 12.664 4.892 -6.302 213 HD3 LYS 26 3HD LYS 26 12.752 4.519 -4.578 214 HE2 LYS 26 2HE LYS 26 14.502 3.342 -5.789 215 HE3 LYS 26 3HE LYS 26 13.346 2.196 -5.116 216 HZ1 LYS 26 3HZ LYS 26 13.507 3.099 -7.940 217 HZ2 LYS 26 1HZ LYS 26 12.291 2.095 -7.325 218 HZ3 LYS 26 2HZ LYS 26 13.895 1.565 -7.344 219 H MET 27 H MET 27 8.797 5.613 -1.745 220 HA MET 27 HA MET 27 7.555 8.105 -2.747 221 HB2 MET 27 2HB MET 27 6.112 5.829 -1.364 222 HB3 MET 27 3HB MET 27 5.391 7.375 -1.793 223 HG2 MET 27 2HG MET 27 5.958 6.851 -4.190 224 HG3 MET 27 3HG MET 27 6.394 5.231 -3.651 225 HE1 MET 27 3HE MET 27 4.174 4.865 -1.293 226 HE2 MET 27 1HE MET 27 4.603 3.574 -2.415 227 HE3 MET 27 2HE MET 27 2.911 4.012 -2.180 228 H ASN 28 H ASN 28 6.698 9.543 -1.152 229 HA ASN 28 HA ASN 28 8.302 9.659 1.255 230 HB2 ASN 28 2HB ASN 28 7.857 11.687 -0.074 231 HB3 ASN 28 3HB ASN 28 6.132 11.514 0.224 232 HD21 ASN 28 1HD2 ASN 28 5.981 13.503 1.217 233 HD22 ASN 28 2HD2 ASN 28 6.644 13.817 2.780 234 H LEU 29 H LEU 29 7.658 8.194 2.797 235 HA LEU 29 HA LEU 29 4.845 7.653 3.264 236 HB2 LEU 29 2HB LEU 29 7.290 6.606 4.693 237 HB3 LEU 29 3HB LEU 29 5.653 6.011 4.904 238 HG LEU 29 HG LEU 29 7.309 5.813 2.380 239 HD11 LEU 29 1HD1 LEU 29 8.022 4.316 4.190 240 HD12 LEU 29 2HD1 LEU 29 7.329 3.431 2.835 241 HD13 LEU 29 3HD1 LEU 29 6.381 3.674 4.301 242 HD21 LEU 29 3HD2 LEU 29 4.511 4.808 2.950 243 HD22 LEU 29 1HD2 LEU 29 5.462 4.443 1.509 244 HD23 LEU 29 2HD2 LEU 29 4.951 6.098 1.830 245 H THR 30 H THR 30 3.713 7.983 5.196 246 HA THR 30 HA THR 30 4.415 10.313 6.717 247 HB THR 30 HB THR 30 2.051 9.715 6.251 248 HG1 THR 30 HG1 THR 30 1.685 9.696 8.863 249 HG21 THR 30 3HG2 THR 30 0.954 7.963 7.578 250 HG22 THR 30 1HG2 THR 30 2.515 7.489 8.246 251 HG23 THR 30 2HG2 THR 30 2.194 7.285 6.524 252 H ARG 31 H ARG 31 4.760 10.429 9.002 253 HA ARG 31 HA ARG 31 6.565 8.451 9.991 254 HB2 ARG 31 2HB ARG 31 5.352 10.936 11.192 255 HB3 ARG 31 3HB ARG 31 6.336 9.849 12.162 256 HG2 ARG 31 2HG ARG 31 7.701 11.655 11.374 257 HG3 ARG 31 3HG ARG 31 8.206 10.168 10.574 258 HD2 ARG 31 2HD ARG 31 6.878 10.834 8.588 259 HD3 ARG 31 3HD ARG 31 6.476 12.351 9.397 260 HE ARG 31 HE ARG 31 9.276 11.988 9.327 261 HH11 ARG 31 1HH1 ARG 31 6.640 12.804 7.261 262 HH12 ARG 31 2HH1 ARG 31 7.641 13.710 6.183 263 HH21 ARG 31 1HH2 ARG 31 10.530 13.122 7.932 264 HH22 ARG 31 2HH2 ARG 31 9.818 13.884 6.553 265 H GLY 32 H GLY 32 6.179 6.673 11.153 266 HA2 GLY 32 2HA GLY 32 5.154 5.284 12.723 267 HA3 GLY 32 3HA GLY 32 3.881 6.478 12.921 268 H ILE 33 H ILE 33 4.593 5.555 9.678 269 HA ILE 33 HA ILE 33 2.008 4.416 9.284 270 HB ILE 33 HB ILE 33 3.231 5.636 7.511 271 HG12 ILE 33 2HG1 ILE 33 2.541 2.780 6.761 272 HG13 ILE 33 3HG1 ILE 33 1.386 4.095 6.934 273 HG21 ILE 33 1HG2 ILE 33 5.021 4.529 6.254 274 HG22 ILE 33 2HG2 ILE 33 5.000 3.191 7.403 275 HG23 ILE 33 3HG2 ILE 33 5.479 4.804 7.934 276 HD11 ILE 33 3HD1 ILE 33 3.600 3.947 4.897 277 HD12 ILE 33 1HD1 ILE 33 2.443 5.270 5.074 278 HD13 ILE 33 2HD1 ILE 33 1.885 3.666 4.605 279 H ASN 34 H ASN 34 1.386 2.270 8.985 280 HA ASN 34 HA ASN 34 3.397 0.234 9.722 281 HB2 ASN 34 2HB ASN 34 1.919 0.679 11.612 282 HB3 ASN 34 3HB ASN 34 0.504 0.395 10.602 283 HD21 ASN 34 1HD2 ASN 34 -0.201 -1.235 11.973 284 HD22 ASN 34 2HD2 ASN 34 0.558 -2.788 12.014 285 H LEU 35 H LEU 35 3.796 -0.681 7.773 286 HA LEU 35 HA LEU 35 1.789 -1.122 5.784 287 HB2 LEU 35 2HB LEU 35 4.588 -2.244 5.990 288 HB3 LEU 35 3HB LEU 35 3.569 -2.308 4.564 289 HG LEU 35 HG LEU 35 4.648 0.219 5.834 290 HD11 LEU 35 1HD1 LEU 35 6.405 -1.096 4.772 291 HD12 LEU 35 2HD1 LEU 35 6.066 0.367 3.845 292 HD13 LEU 35 3HD1 LEU 35 5.453 -1.193 3.288 293 HD21 LEU 35 3HD2 LEU 35 3.060 -0.183 3.293 294 HD22 LEU 35 1HD2 LEU 35 3.787 1.336 3.822 295 HD23 LEU 35 2HD2 LEU 35 2.493 0.603 4.766 296 H ARG 36 H ARG 36 3.073 -3.037 8.410 297 HA ARG 36 HA ARG 36 2.305 -5.594 7.500 298 HB2 ARG 36 2HB ARG 36 3.835 -5.270 9.384 299 HB3 ARG 36 3HB ARG 36 2.532 -4.579 10.342 300 HG2 ARG 36 2HG ARG 36 1.404 -6.662 10.481 301 HG3 ARG 36 3HG ARG 36 2.443 -7.385 9.252 302 HD2 ARG 36 2HD ARG 36 4.348 -7.283 10.744 303 HD3 ARG 36 3HD ARG 36 3.395 -6.419 11.952 304 HE ARG 36 HE ARG 36 2.051 -8.459 12.169 305 HH11 ARG 36 1HH1 ARG 36 5.177 -8.761 10.762 306 HH12 ARG 36 2HH1 ARG 36 5.318 -10.432 11.175 307 HH21 ARG 36 1HH2 ARG 36 2.232 -10.581 12.682 308 HH22 ARG 36 2HH2 ARG 36 3.661 -11.455 12.257 309 H LYS 37 H LYS 37 0.543 -3.201 9.451 310 HA LYS 37 HA LYS 37 -1.890 -4.451 9.818 311 HB2 LYS 37 2HB LYS 37 -1.424 -2.247 10.713 312 HB3 LYS 37 3HB LYS 37 -1.271 -1.570 9.105 313 HG2 LYS 37 2HG LYS 37 -3.878 -2.725 10.060 314 HG3 LYS 37 3HG LYS 37 -3.395 -1.080 10.471 315 HD2 LYS 37 2HD LYS 37 -2.998 -0.858 7.886 316 HD3 LYS 37 3HD LYS 37 -4.080 -2.247 7.796 317 HE2 LYS 37 2HE LYS 37 -4.680 0.448 9.014 318 HE3 LYS 37 3HE LYS 37 -5.346 -0.210 7.522 319 HZ1 LYS 37 3HZ LYS 37 -6.932 -0.422 9.286 320 HZ2 LYS 37 1HZ LYS 37 -5.819 -1.237 10.266 321 HZ3 LYS 37 2HZ LYS 37 -6.396 -1.966 8.857 322 H ILE 38 H ILE 38 -0.671 -2.841 6.918 323 HA ILE 38 HA ILE 38 -2.999 -3.131 5.324 324 HB ILE 38 HB ILE 38 -0.124 -2.898 4.392 325 HG12 ILE 38 2HG1 ILE 38 -0.635 -1.085 5.942 326 HG13 ILE 38 3HG1 ILE 38 -0.561 -0.453 4.301 327 HG21 ILE 38 1HG2 ILE 38 -2.713 -2.212 2.995 328 HG22 ILE 38 2HG2 ILE 38 -1.638 -3.555 2.609 329 HG23 ILE 38 3HG2 ILE 38 -1.094 -1.896 2.368 330 HD11 ILE 38 3HD1 ILE 38 -3.082 -1.087 5.822 331 HD12 ILE 38 1HD1 ILE 38 -2.989 -0.409 4.196 332 HD13 ILE 38 2HD1 ILE 38 -2.395 0.518 5.574 333 H ALA 39 H ALA 39 -0.012 -5.060 5.553 334 HA ALA 39 HA ALA 39 -0.610 -6.989 3.616 335 HB1 ALA 39 3HB ALA 39 1.090 -8.367 4.691 336 HB2 ALA 39 1HB ALA 39 1.030 -7.342 6.127 337 HB3 ALA 39 2HB ALA 39 1.616 -6.686 4.598 338 H GLU 40 H GLU 40 -1.600 -6.787 6.997 339 HA GLU 40 HA GLU 40 -2.676 -9.422 7.156 340 HB2 GLU 40 2HB GLU 40 -3.207 -6.955 8.827 341 HB3 GLU 40 3HB GLU 40 -3.839 -8.554 9.205 342 HG2 GLU 40 2HG GLU 40 -1.457 -9.369 9.272 343 HG3 GLU 40 3HG GLU 40 -0.954 -7.685 9.146 344 H LEU 41 H LEU 41 -3.953 -6.393 5.964 345 HA LEU 41 HA LEU 41 -6.720 -7.204 6.066 346 HB2 LEU 41 2HB LEU 41 -5.361 -4.886 4.690 347 HB3 LEU 41 3HB LEU 41 -7.097 -5.133 4.704 348 HG LEU 41 HG LEU 41 -5.362 -4.631 7.133 349 HD11 LEU 41 1HD1 LEU 41 -5.665 -2.650 5.728 350 HD12 LEU 41 2HD1 LEU 41 -6.539 -2.494 7.251 351 HD13 LEU 41 3HD1 LEU 41 -7.413 -2.882 5.769 352 HD21 LEU 41 3HD2 LEU 41 -7.474 -4.514 8.369 353 HD22 LEU 41 1HD2 LEU 41 -7.230 -6.112 7.665 354 HD23 LEU 41 2HD2 LEU 41 -8.356 -4.980 6.914 355 H MET 42 H MET 42 -4.165 -7.770 3.856 356 HA MET 42 HA MET 42 -6.099 -8.520 1.752 357 HB2 MET 42 2HB MET 42 -4.163 -8.288 0.163 358 HB3 MET 42 3HB MET 42 -4.698 -6.790 0.909 359 HG2 MET 42 2HG MET 42 -2.833 -7.024 2.553 360 HG3 MET 42 3HG MET 42 -2.259 -8.406 1.621 361 HE1 MET 42 3HE MET 42 -1.470 -8.194 -0.971 362 HE2 MET 42 1HE MET 42 -1.464 -6.662 -1.844 363 HE3 MET 42 2HE MET 42 -2.993 -7.392 -1.356 364 HA PRO 43 HA PRO 43 -4.261 -12.554 2.959 365 HB2 PRO 43 2HB PRO 43 -6.533 -13.921 3.328 366 HB3 PRO 43 3HB PRO 43 -5.950 -12.769 4.534 367 HG2 PRO 43 2HG PRO 43 -8.139 -12.466 2.527 368 HG3 PRO 43 3HG PRO 43 -8.046 -11.855 4.188 369 HD2 PRO 43 2HD PRO 43 -7.500 -10.388 1.853 370 HD3 PRO 43 3HD PRO 43 -7.067 -9.916 3.507 371 H GLY 44 H GLY 44 -3.505 -13.851 1.377 372 HA2 GLY 44 2HA GLY 44 -3.669 -15.466 -0.322 373 HA3 GLY 44 3HA GLY 44 -5.318 -14.953 -0.630 374 H ALA 45 H ALA 45 -4.108 -12.090 -0.684 375 HA ALA 45 HA ALA 45 -3.978 -11.814 -3.484 376 HB1 ALA 45 3HB ALA 45 -3.316 -9.497 -3.035 377 HB2 ALA 45 1HB ALA 45 -3.035 -9.905 -1.342 378 HB3 ALA 45 2HB ALA 45 -4.665 -9.993 -2.013 379 H SER 46 H SER 46 -2.313 -11.807 -4.919 380 HA SER 46 HA SER 46 0.289 -12.731 -3.918 381 HB2 SER 46 2HB SER 46 -0.863 -12.760 -6.720 382 HB3 SER 46 3HB SER 46 0.694 -13.446 -6.252 383 HG SER 46 HG SER 46 -1.439 -14.292 -4.725 384 H GLY 47 H GLY 47 2.040 -12.096 -5.859 385 HA2 GLY 47 2HA GLY 47 2.967 -9.612 -5.046 386 HA3 GLY 47 3HA GLY 47 3.519 -10.459 -6.480 387 H ALA 48 H ALA 48 1.109 -10.360 -7.993 388 HA ALA 48 HA ALA 48 1.301 -7.809 -9.178 389 HB1 ALA 48 3HB ALA 48 -0.965 -9.787 -9.438 390 HB2 ALA 48 1HB ALA 48 0.527 -9.813 -10.378 391 HB3 ALA 48 2HB ALA 48 -0.598 -8.465 -10.544 392 H GLU 49 H GLU 49 -1.133 -9.146 -6.944 393 HA GLU 49 HA GLU 49 -2.767 -6.840 -6.826 394 HB2 GLU 49 2HB GLU 49 -2.378 -9.093 -4.841 395 HB3 GLU 49 3HB GLU 49 -3.570 -7.820 -4.633 396 HG2 GLU 49 2HG GLU 49 -4.666 -9.744 -5.517 397 HG3 GLU 49 3HG GLU 49 -4.620 -8.510 -6.773 398 H VAL 50 H VAL 50 0.047 -7.858 -4.934 399 HA VAL 50 HA VAL 50 0.022 -5.784 -3.025 400 HB VAL 50 HB VAL 50 2.445 -7.208 -4.160 401 HG11 VAL 50 1HG1 VAL 50 2.075 -5.705 -1.562 402 HG12 VAL 50 2HG1 VAL 50 3.069 -5.203 -2.931 403 HG13 VAL 50 3HG1 VAL 50 3.503 -6.640 -2.006 404 HG21 VAL 50 3HG2 VAL 50 2.218 -8.747 -2.272 405 HG22 VAL 50 1HG2 VAL 50 0.778 -8.785 -3.290 406 HG23 VAL 50 2HG2 VAL 50 0.751 -7.915 -1.756 407 H LYS 51 H LYS 51 1.679 -6.000 -6.184 408 HA LYS 51 HA LYS 51 2.746 -3.401 -6.250 409 HB2 LYS 51 2HB LYS 51 3.317 -5.148 -7.901 410 HB3 LYS 51 3HB LYS 51 1.692 -5.052 -8.566 411 HG2 LYS 51 2HG LYS 51 2.189 -2.608 -9.063 412 HG3 LYS 51 3HG LYS 51 3.870 -2.973 -8.675 413 HD2 LYS 51 2HD LYS 51 2.212 -4.295 -10.832 414 HD3 LYS 51 3HD LYS 51 3.467 -3.083 -11.088 415 HE2 LYS 51 2HE LYS 51 5.154 -4.603 -10.232 416 HE3 LYS 51 3HE LYS 51 3.918 -5.802 -9.845 417 HZ1 LYS 51 3HZ LYS 51 4.560 -4.822 -12.573 418 HZ2 LYS 51 1HZ LYS 51 3.410 -5.998 -12.184 419 HZ3 LYS 51 2HZ LYS 51 5.050 -6.304 -11.923 420 H GLY 52 H GLY 52 -0.433 -4.637 -7.188 421 HA2 GLY 52 2HA GLY 52 -1.582 -2.306 -8.204 422 HA3 GLY 52 3HA GLY 52 -2.466 -3.601 -7.412 423 H VAL 53 H VAL 53 -1.779 -3.516 -4.838 424 HA VAL 53 HA VAL 53 -3.139 -1.373 -3.706 425 HB VAL 53 HB VAL 53 -1.016 -3.125 -2.435 426 HG11 VAL 53 1HG1 VAL 53 -1.316 -1.094 -1.119 427 HG12 VAL 53 2HG1 VAL 53 -2.011 -2.480 -0.279 428 HG13 VAL 53 3HG1 VAL 53 -3.064 -1.336 -1.111 429 HG21 VAL 53 3HG2 VAL 53 -4.033 -3.342 -2.420 430 HG22 VAL 53 1HG2 VAL 53 -2.917 -4.403 -1.558 431 HG23 VAL 53 2HG2 VAL 53 -2.924 -4.377 -3.320 432 H CYS 54 H CYS 54 0.383 -1.830 -4.011 433 HA CYS 54 HA CYS 54 1.218 0.558 -2.822 434 HB2 CYS 54 2HB CYS 54 2.831 -1.150 -3.308 435 HB3 CYS 54 3HB CYS 54 2.474 -1.080 -5.030 436 HG CYS 54 HG CYS 54 3.385 1.916 -4.159 437 H THR 55 H THR 55 0.307 -0.066 -6.196 438 HA THR 55 HA THR 55 1.012 2.546 -7.130 439 HB THR 55 HB THR 55 -0.848 0.535 -8.431 440 HG1 THR 55 HG1 THR 55 0.926 -0.580 -8.721 441 HG21 THR 55 3HG2 THR 55 0.703 2.865 -9.584 442 HG22 THR 55 1HG2 THR 55 -1.051 2.761 -9.405 443 HG23 THR 55 2HG2 THR 55 -0.212 1.684 -10.521 444 H GLU 56 H GLU 56 -2.092 0.999 -6.301 445 HA GLU 56 HA GLU 56 -3.748 3.183 -6.924 446 HB2 GLU 56 2HB GLU 56 -4.220 0.988 -4.889 447 HB3 GLU 56 3HB GLU 56 -5.449 2.075 -5.518 448 HG2 GLU 56 2HG GLU 56 -3.876 0.081 -7.145 449 HG3 GLU 56 3HG GLU 56 -5.528 -0.136 -6.571 450 H ALA 57 H ALA 57 -2.018 2.335 -3.955 451 HA ALA 57 HA ALA 57 -3.030 4.226 -2.191 452 HB1 ALA 57 3HB ALA 57 -1.423 2.506 -1.537 453 HB2 ALA 57 1HB ALA 57 -0.866 4.105 -1.043 454 HB3 ALA 57 2HB ALA 57 -0.158 3.321 -2.458 455 H GLY 58 H GLY 58 -0.376 4.633 -4.541 456 HA2 GLY 58 2HA GLY 58 0.099 7.375 -4.058 457 HA3 GLY 58 3HA GLY 58 0.489 6.516 -5.541 458 H MET 59 H MET 59 -2.281 5.747 -6.095 459 HA MET 59 HA MET 59 -3.194 8.008 -7.527 460 HB2 MET 59 2HB MET 59 -4.816 5.586 -6.699 461 HB3 MET 59 3HB MET 59 -5.211 6.712 -7.988 462 HG2 MET 59 2HG MET 59 -2.620 5.254 -8.124 463 HG3 MET 59 3HG MET 59 -4.103 4.377 -8.483 464 HE1 MET 59 3HE MET 59 -3.042 8.166 -9.311 465 HE2 MET 59 1HE MET 59 -2.428 7.912 -10.943 466 HE3 MET 59 2HE MET 59 -1.613 7.164 -9.569 467 H TYR 60 H TYR 60 -4.139 6.650 -4.389 468 HA TYR 60 HA TYR 60 -6.210 8.507 -3.829 469 HB2 TYR 60 2HB TYR 60 -4.508 6.780 -2.028 470 HB3 TYR 60 3HB TYR 60 -5.777 7.829 -1.406 471 HD1 TYR 60 HD2 TYR 60 -8.157 7.455 -2.225 472 HD2 TYR 60 HD1 TYR 60 -5.031 4.640 -2.878 473 HE1 TYR 60 HE2 TYR 60 -9.830 5.699 -2.627 474 HE2 TYR 60 HE1 TYR 60 -6.694 2.878 -3.286 475 HH TYR 60 HH TYR 60 -9.058 2.407 -2.700 476 H ALA 61 H ALA 61 -2.749 8.478 -3.006 477 HA ALA 61 HA ALA 61 -2.583 10.822 -1.544 478 HB1 ALA 61 3HB ALA 61 -0.707 9.275 -1.854 479 HB2 ALA 61 1HB ALA 61 -0.243 10.937 -2.222 480 HB3 ALA 61 2HB ALA 61 -0.552 9.795 -3.532 481 H LEU 62 H LEU 62 -2.644 10.439 -5.075 482 HA LEU 62 HA LEU 62 -2.207 13.179 -5.680 483 HB2 LEU 62 2HB LEU 62 -3.502 10.993 -7.313 484 HB3 LEU 62 3HB LEU 62 -3.101 12.583 -7.938 485 HG LEU 62 HG LEU 62 -1.127 10.531 -6.910 486 HD11 LEU 62 1HD1 LEU 62 -1.658 11.527 -9.712 487 HD12 LEU 62 2HD1 LEU 62 -2.089 9.940 -9.074 488 HD13 LEU 62 3HD1 LEU 62 -0.394 10.392 -9.233 489 HD21 LEU 62 3HD2 LEU 62 -0.634 13.260 -8.110 490 HD22 LEU 62 1HD2 LEU 62 0.603 12.073 -7.695 491 HD23 LEU 62 2HD2 LEU 62 -0.376 12.805 -6.426 492 H ARG 63 H ARG 63 -5.252 11.272 -5.503 493 HA ARG 63 HA ARG 63 -6.930 13.421 -6.254 494 HB2 ARG 63 2HB ARG 63 -8.798 12.078 -5.345 495 HB3 ARG 63 3HB ARG 63 -7.752 11.157 -6.415 496 HG2 ARG 63 2HG ARG 63 -6.722 10.053 -4.550 497 HG3 ARG 63 3HG ARG 63 -7.591 11.075 -3.407 498 HD2 ARG 63 2HD ARG 63 -9.006 9.284 -5.374 499 HD3 ARG 63 3HD ARG 63 -8.496 8.722 -3.783 500 HE ARG 63 HE ARG 63 -9.941 10.549 -2.875 501 HH11 ARG 63 1HH1 ARG 63 -10.558 9.322 -6.037 502 HH12 ARG 63 2HH1 ARG 63 -12.256 9.629 -5.935 503 HH21 ARG 63 1HH2 ARG 63 -12.101 10.922 -2.752 504 HH22 ARG 63 2HH2 ARG 63 -13.127 10.510 -4.085 505 H GLU 64 H GLU 64 -5.683 12.463 -3.095 506 HA GLU 64 HA GLU 64 -7.236 14.624 -1.848 507 HB2 GLU 64 2HB GLU 64 -5.526 12.480 -0.557 508 HB3 GLU 64 3HB GLU 64 -6.467 13.692 0.307 509 HG2 GLU 64 2HG GLU 64 -8.495 12.747 -0.955 510 HG3 GLU 64 3HG GLU 64 -7.450 11.385 -1.343 511 H ARG 65 H ARG 65 -4.406 14.400 -3.436 512 HA ARG 65 HA ARG 65 -2.555 15.687 -3.631 513 HB2 ARG 65 2HB ARG 65 -4.352 17.641 -2.183 514 HB3 ARG 65 3HB ARG 65 -2.773 18.082 -2.820 515 HG2 ARG 65 2HG ARG 65 -4.344 18.763 -4.442 516 HG3 ARG 65 3HG ARG 65 -3.592 17.303 -5.082 517 HD2 ARG 65 2HD ARG 65 -5.579 16.037 -4.104 518 HD3 ARG 65 3HD ARG 65 -6.335 17.615 -3.873 519 HE ARG 65 HE ARG 65 -5.390 16.973 -6.553 520 HH11 ARG 65 1HH1 ARG 65 -8.054 17.221 -4.386 521 HH12 ARG 65 2HH1 ARG 65 -9.228 17.191 -5.654 522 HH21 ARG 65 1HH2 ARG 65 -6.906 16.922 -8.173 523 HH22 ARG 65 2HH2 ARG 65 -8.585 17.028 -7.775 524 H ARG 66 H ARG 66 -2.434 13.866 -1.523 525 HA ARG 66 HA ARG 66 -1.360 15.054 0.848 526 HB2 ARG 66 2HB ARG 66 -1.282 12.231 -0.232 527 HB3 ARG 66 3HB ARG 66 -0.585 12.686 1.318 528 HG2 ARG 66 2HG ARG 66 -2.783 13.402 2.107 529 HG3 ARG 66 3HG ARG 66 -3.489 12.966 0.548 530 HD2 ARG 66 2HD ARG 66 -2.988 10.644 0.897 531 HD3 ARG 66 3HD ARG 66 -2.043 11.014 2.341 532 HE ARG 66 HE ARG 66 -4.138 11.690 3.403 533 HH11 ARG 66 1HH1 ARG 66 -4.325 9.655 0.623 534 HH12 ARG 66 2HH1 ARG 66 -5.934 9.140 0.997 535 HH21 ARG 66 1HH2 ARG 66 -6.169 10.955 3.886 536 HH22 ARG 66 2HH2 ARG 66 -6.953 9.857 2.807 537 H VAL 67 H VAL 67 0.615 15.903 1.112 538 HA VAL 67 HA VAL 67 2.751 15.562 -0.757 539 HB VAL 67 HB VAL 67 2.885 16.589 2.096 540 HG11 VAL 67 1HG1 VAL 67 4.943 17.718 1.383 541 HG12 VAL 67 2HG1 VAL 67 4.812 16.964 -0.207 542 HG13 VAL 67 3HG1 VAL 67 5.083 15.967 1.223 543 HG21 VAL 67 3HG2 VAL 67 2.734 18.831 1.102 544 HG22 VAL 67 1HG2 VAL 67 1.292 17.875 0.760 545 HG23 VAL 67 2HG2 VAL 67 2.511 18.113 -0.493 546 H HIS 68 H HIS 68 1.843 14.025 2.260 547 HA HIS 68 HA HIS 68 3.981 12.028 1.858 548 HB2 HIS 68 2HB HIS 68 3.956 11.628 4.288 549 HB3 HIS 68 3HB HIS 68 4.363 13.299 3.921 550 HD1 HIS 68 HD1 HIS 68 2.735 15.122 4.724 551 HD2 HIS 68 HD2 HIS 68 1.459 11.259 5.582 552 HE1 HIS 68 HE1 HIS 68 0.838 15.381 6.341 553 HE2 HIS 68 HE2 HIS 68 0.189 13.037 6.971 554 H VAL 69 H VAL 69 3.316 9.969 1.521 555 HA VAL 69 HA VAL 69 0.559 9.308 1.317 556 HB VAL 69 HB VAL 69 2.917 7.406 1.434 557 HG11 VAL 69 1HG1 VAL 69 0.137 7.038 0.301 558 HG12 VAL 69 2HG1 VAL 69 0.768 6.288 1.767 559 HG13 VAL 69 3HG1 VAL 69 1.454 5.867 0.197 560 HG21 VAL 69 3HG2 VAL 69 3.224 9.079 -0.327 561 HG22 VAL 69 1HG2 VAL 69 1.624 8.705 -0.973 562 HG23 VAL 69 2HG2 VAL 69 2.900 7.488 -1.015 563 H THR 70 H THR 70 -0.818 8.393 2.768 564 HA THR 70 HA THR 70 0.217 8.003 5.509 565 HB THR 70 HB THR 70 -1.948 8.579 6.361 566 HG1 THR 70 HG1 THR 70 -2.837 8.657 3.644 567 HG21 THR 70 3HG2 THR 70 -1.230 10.488 4.127 568 HG22 THR 70 1HG2 THR 70 -0.553 10.494 5.757 569 HG23 THR 70 2HG2 THR 70 -2.260 10.865 5.509 570 H GLN 71 H GLN 71 -1.334 6.562 6.849 571 HA GLN 71 HA GLN 71 -1.308 3.916 5.911 572 HB2 GLN 71 2HB GLN 71 -1.377 4.663 8.312 573 HB3 GLN 71 3HB GLN 71 -3.068 5.080 8.089 574 HG2 GLN 71 2HG GLN 71 -3.020 2.986 9.168 575 HG3 GLN 71 3HG GLN 71 -3.481 2.671 7.496 576 HE21 GLN 71 1HE2 GLN 71 -2.238 0.941 9.532 577 HE22 GLN 71 2HE2 GLN 71 -0.794 0.344 8.801 578 H GLU 72 H GLU 72 -3.696 6.454 5.644 579 HA GLU 72 HA GLU 72 -6.017 4.958 5.115 580 HB2 GLU 72 2HB GLU 72 -5.216 7.726 4.182 581 HB3 GLU 72 3HB GLU 72 -6.832 7.057 4.000 582 HG2 GLU 72 2HG GLU 72 -7.099 6.937 6.399 583 HG3 GLU 72 3HG GLU 72 -5.436 7.466 6.640 584 H ASP 73 H ASP 73 -3.595 6.312 2.876 585 HA ASP 73 HA ASP 73 -4.861 5.703 0.471 586 HB2 ASP 73 2HB ASP 73 -1.875 5.719 0.989 587 HB3 ASP 73 3HB ASP 73 -2.671 5.950 -0.566 588 H PHE 74 H PHE 74 -2.478 3.745 2.268 589 HA PHE 74 HA PHE 74 -2.378 1.620 0.414 590 HB2 PHE 74 2HB PHE 74 -1.639 1.807 3.329 591 HB3 PHE 74 3HB PHE 74 -1.465 0.306 2.427 592 HD1 PHE 74 HD2 PHE 74 0.096 0.199 0.494 593 HD2 PHE 74 HD1 PHE 74 -0.075 3.593 3.068 594 HE1 PHE 74 HE2 PHE 74 2.292 0.933 -0.331 595 HE2 PHE 74 HE1 PHE 74 2.124 4.330 2.239 596 HZ PHE 74 HZ PHE 74 3.309 2.999 0.542 597 H GLU 75 H GLU 75 -4.265 1.875 3.474 598 HA GLU 75 HA GLU 75 -5.391 -0.716 3.205 599 HB2 GLU 75 2HB GLU 75 -6.950 -0.092 4.972 600 HB3 GLU 75 3HB GLU 75 -5.315 0.407 5.373 601 HG2 GLU 75 2HG GLU 75 -5.838 2.703 4.807 602 HG3 GLU 75 3HG GLU 75 -7.456 2.229 4.288 603 H MET 76 H MET 76 -6.599 2.484 2.220 604 HA MET 76 HA MET 76 -9.064 1.563 1.159 605 HB2 MET 76 2HB MET 76 -7.380 3.999 0.585 606 HB3 MET 76 3HB MET 76 -8.904 3.704 -0.238 607 HG2 MET 76 2HG MET 76 -8.537 3.991 2.741 608 HG3 MET 76 3HG MET 76 -9.177 5.221 1.651 609 HE1 MET 76 3HE MET 76 -12.536 3.587 0.461 610 HE2 MET 76 1HE MET 76 -10.966 3.461 -0.335 611 HE3 MET 76 2HE MET 76 -11.486 5.000 0.356 612 H ALA 77 H ALA 77 -5.817 1.762 -0.180 613 HA ALA 77 HA ALA 77 -6.414 1.054 -2.846 614 HB1 ALA 77 3HB ALA 77 -4.067 0.415 -3.017 615 HB2 ALA 77 1HB ALA 77 -3.917 0.448 -1.258 616 HB3 ALA 77 2HB ALA 77 -4.239 1.939 -2.143 617 H VAL 78 H VAL 78 -5.646 -0.955 -0.001 618 HA VAL 78 HA VAL 78 -5.820 -3.484 -1.182 619 HB VAL 78 HB VAL 78 -6.668 -2.678 1.618 620 HG11 VAL 78 1HG1 VAL 78 -7.635 -4.835 1.010 621 HG12 VAL 78 2HG1 VAL 78 -6.352 -5.050 2.200 622 HG13 VAL 78 3HG1 VAL 78 -6.052 -5.421 0.502 623 HG21 VAL 78 3HG2 VAL 78 -4.333 -2.139 1.143 624 HG22 VAL 78 1HG2 VAL 78 -4.049 -3.792 0.595 625 HG23 VAL 78 2HG2 VAL 78 -4.445 -3.479 2.286 626 H ALA 79 H ALA 79 -8.399 -1.570 0.371 627 HA ALA 79 HA ALA 79 -10.553 -3.271 -0.173 628 HB1 ALA 79 3HB ALA 79 -10.702 -1.380 1.368 629 HB2 ALA 79 1HB ALA 79 -11.971 -1.295 0.146 630 HB3 ALA 79 2HB ALA 79 -10.552 -0.255 0.019 631 H LYS 80 H LYS 80 -9.065 -0.758 -2.173 632 HA LYS 80 HA LYS 80 -10.942 -0.764 -4.278 633 HB2 LYS 80 2HB LYS 80 -9.290 1.018 -3.994 634 HB3 LYS 80 3HB LYS 80 -7.984 -0.111 -4.321 635 HG2 LYS 80 2HG LYS 80 -8.397 1.249 -6.266 636 HG3 LYS 80 3HG LYS 80 -8.844 -0.422 -6.609 637 HD2 LYS 80 2HD LYS 80 -10.524 1.055 -7.522 638 HD3 LYS 80 3HD LYS 80 -11.219 0.163 -6.167 639 HE2 LYS 80 2HE LYS 80 -10.864 2.116 -4.715 640 HE3 LYS 80 3HE LYS 80 -10.178 3.001 -6.078 641 HZ1 LYS 80 3HZ LYS 80 -12.299 2.808 -7.224 642 HZ2 LYS 80 1HZ LYS 80 -12.497 3.580 -5.729 643 HZ3 LYS 80 2HZ LYS 80 -12.955 1.962 -5.915 644 H VAL 81 H VAL 81 -7.826 -2.503 -3.986 645 HA VAL 81 HA VAL 81 -8.094 -3.868 -6.475 646 HB VAL 81 HB VAL 81 -6.318 -4.563 -4.120 647 HG11 VAL 81 1HG1 VAL 81 -4.932 -5.742 -5.791 648 HG12 VAL 81 2HG1 VAL 81 -6.157 -5.421 -7.018 649 HG13 VAL 81 3HG1 VAL 81 -6.541 -6.450 -5.639 650 HG21 VAL 81 3HG2 VAL 81 -5.918 -2.292 -4.918 651 HG22 VAL 81 1HG2 VAL 81 -5.749 -2.883 -6.572 652 HG23 VAL 81 2HG2 VAL 81 -4.567 -3.342 -5.346 653 H MET 82 H MET 82 -8.426 -5.038 -3.108 654 HA MET 82 HA MET 82 -9.242 -7.666 -3.925 655 HB2 MET 82 2HB MET 82 -9.339 -6.326 -1.213 656 HB3 MET 82 3HB MET 82 -9.659 -8.032 -1.500 657 HG2 MET 82 2HG MET 82 -7.052 -6.628 -2.072 658 HG3 MET 82 3HG MET 82 -7.391 -7.625 -0.658 659 HE1 MET 82 3HE MET 82 -9.114 -10.022 -1.912 660 HE2 MET 82 1HE MET 82 -7.815 -10.222 -0.739 661 HE3 MET 82 2HE MET 82 -7.822 -11.182 -2.217 662 H GLN 83 H GLN 83 -10.934 -4.712 -3.408 663 HA GLN 83 HA GLN 83 -13.119 -4.104 -3.433 664 HB2 GLN 83 2HB GLN 83 -13.477 -6.855 -4.642 665 HB3 GLN 83 3HB GLN 83 -14.755 -5.648 -4.547 666 HG2 GLN 83 2HG GLN 83 -13.398 -4.127 -5.930 667 HG3 GLN 83 3HG GLN 83 -12.155 -5.373 -6.051 668 HE21 GLN 83 1HE2 GLN 83 -12.363 -5.450 -8.301 669 HE22 GLN 83 2HE2 GLN 83 -13.714 -6.207 -9.066 670 H LYS 84 H LYS 84 -11.948 -5.675 -1.139 671 HA LYS 84 HA LYS 84 -14.417 -6.687 0.108 672 HB2 LYS 84 2HB LYS 84 -12.506 -8.247 0.071 673 HB3 LYS 84 3HB LYS 84 -11.518 -7.066 0.917 674 HG2 LYS 84 2HG LYS 84 -12.303 -8.802 2.427 675 HG3 LYS 84 3HG LYS 84 -12.974 -7.231 2.872 676 HD2 LYS 84 2HD LYS 84 -15.081 -7.817 1.753 677 HD3 LYS 84 3HD LYS 84 -14.405 -9.384 1.299 678 HE2 LYS 84 2HE LYS 84 -14.180 -9.981 3.661 679 HE3 LYS 84 3HE LYS 84 -14.816 -8.404 4.129 680 HZ1 LYS 84 3HZ LYS 84 -16.290 -10.489 2.607 681 HZ2 LYS 84 1HZ LYS 84 -16.900 -8.968 3.026 682 HZ3 LYS 84 2HZ LYS 84 -16.530 -10.087 4.233 683 H ASP 85 H ASP 85 -15.373 -5.504 1.664 684 HA ASP 85 HA ASP 85 -15.858 -3.816 3.091 685 HB2 ASP 85 2HB ASP 85 -12.889 -4.017 3.609 686 HB3 ASP 85 3HB ASP 85 -13.917 -2.878 4.472 687 H SER 86 H SER 86 -16.613 -2.401 1.513 688 HA SER 86 HA SER 86 -14.934 -0.022 1.118 689 HB2 SER 86 2HB SER 86 -16.413 -1.425 -1.134 690 HB3 SER 86 3HB SER 86 -15.636 0.153 -1.265 691 HG SER 86 HG SER 86 -13.889 -1.605 -0.249 Start of MODEL 20 1 H1 MET 1 1H MET 1 24.800 -23.265 -1.035 2 H2 MET 1 2H MET 1 24.057 -24.045 -2.335 3 H3 MET 1 3H MET 1 23.942 -24.701 -0.779 4 HA MET 1 HA MET 1 21.889 -23.623 -1.446 5 HB2 MET 1 2HB MET 1 21.576 -22.290 0.567 6 HB3 MET 1 3HB MET 1 22.535 -23.718 0.936 7 HG2 MET 1 2HG MET 1 24.570 -22.364 0.900 8 HG3 MET 1 3HG MET 1 23.613 -20.936 0.514 9 HE1 MET 1 3HE MET 1 23.396 -23.204 4.534 10 HE2 MET 1 1HE MET 1 24.479 -23.639 3.211 11 HE3 MET 1 2HE MET 1 22.739 -23.873 3.041 12 H GLY 2 H GLY 2 20.741 -21.698 -1.999 13 HA2 GLY 2 2HA GLY 2 22.431 -19.470 -3.003 14 HA3 GLY 2 3HA GLY 2 21.082 -20.113 -3.928 15 H HIS 3 H HIS 3 21.925 -17.529 -2.212 16 HA HIS 3 HA HIS 3 19.731 -17.193 -0.408 17 HB2 HIS 3 2HB HIS 3 21.881 -16.063 -0.060 18 HB3 HIS 3 3HB HIS 3 21.647 -15.138 -1.539 19 HD1 HIS 3 HD1 HIS 3 20.682 -12.874 -1.197 20 HD2 HIS 3 HD2 HIS 3 19.710 -15.453 1.917 21 HE1 HIS 3 HE1 HIS 3 19.426 -11.480 0.465 22 HE2 HIS 3 HE2 HIS 3 18.765 -13.071 2.290 23 H HIS 4 H HIS 4 20.263 -16.300 -3.781 24 HA HIS 4 HA HIS 4 17.955 -14.606 -3.937 25 HB2 HIS 4 2HB HIS 4 19.675 -15.887 -6.064 26 HB3 HIS 4 3HB HIS 4 18.267 -14.906 -6.452 27 HD1 HIS 4 HD1 HIS 4 21.676 -14.497 -6.520 28 HD2 HIS 4 HD2 HIS 4 18.655 -12.307 -4.694 29 HE1 HIS 4 HE1 HIS 4 22.628 -12.206 -6.166 30 HE2 HIS 4 HE2 HIS 4 20.857 -10.966 -4.886 31 H HIS 5 H HIS 5 16.351 -15.864 -2.970 32 HA HIS 5 HA HIS 5 15.438 -18.307 -4.223 33 HB2 HIS 5 2HB HIS 5 13.527 -17.982 -2.488 34 HB3 HIS 5 3HB HIS 5 15.147 -18.362 -1.909 35 HD1 HIS 5 HD1 HIS 5 16.361 -16.597 -0.535 36 HD2 HIS 5 HD2 HIS 5 12.666 -15.315 -1.946 37 HE1 HIS 5 HE1 HIS 5 15.887 -14.453 0.674 38 HE2 HIS 5 HE2 HIS 5 13.608 -13.746 -0.115 39 H HIS 6 H HIS 6 13.339 -18.611 -5.155 40 HA HIS 6 HA HIS 6 12.650 -16.377 -6.881 41 HB2 HIS 6 2HB HIS 6 11.557 -19.203 -6.854 42 HB3 HIS 6 3HB HIS 6 11.297 -18.003 -8.116 43 HD1 HIS 6 HD1 HIS 6 13.570 -17.214 -9.384 44 HD2 HIS 6 HD2 HIS 6 13.775 -20.749 -7.209 45 HE1 HIS 6 HE1 HIS 6 15.610 -18.407 -10.230 46 HE2 HIS 6 HE2 HIS 6 15.789 -20.473 -8.805 47 H HIS 7 H HIS 7 10.252 -16.133 -7.452 48 HA HIS 7 HA HIS 7 8.830 -15.432 -5.017 49 HB2 HIS 7 2HB HIS 7 8.103 -14.983 -7.925 50 HB3 HIS 7 3HB HIS 7 7.243 -14.309 -6.544 51 HD1 HIS 7 HD1 HIS 7 9.398 -13.173 -9.000 52 HD2 HIS 7 HD2 HIS 7 9.456 -12.865 -4.856 53 HE1 HIS 7 HE1 HIS 7 10.833 -11.178 -8.492 54 HE2 HIS 7 HE2 HIS 7 10.636 -10.877 -6.003 55 H HIS 8 H HIS 8 6.655 -16.070 -4.567 56 HA HIS 8 HA HIS 8 5.609 -18.390 -6.048 57 HB2 HIS 8 2HB HIS 8 5.913 -18.203 -3.036 58 HB3 HIS 8 3HB HIS 8 4.914 -19.408 -3.843 59 HD1 HIS 8 HD1 HIS 8 6.068 -21.470 -4.691 60 HD2 HIS 8 HD2 HIS 8 8.752 -18.511 -3.548 61 HE1 HIS 8 HE1 HIS 8 8.332 -22.542 -4.789 62 HE2 HIS 8 HE2 HIS 8 9.946 -20.687 -4.272 63 H SER 9 H SER 9 3.284 -18.721 -5.745 64 HA SER 9 HA SER 9 1.811 -16.314 -5.888 65 HB2 SER 9 2HB SER 9 0.796 -19.138 -5.427 66 HB3 SER 9 3HB SER 9 -0.208 -17.760 -5.878 67 HG SER 9 HG SER 9 0.675 -19.287 -7.583 68 H HIS 10 H HIS 10 2.332 -18.575 -3.230 69 HA HIS 10 HA HIS 10 0.963 -16.678 -1.426 70 HB2 HIS 10 2HB HIS 10 0.731 -18.522 0.178 71 HB3 HIS 10 3HB HIS 10 -0.011 -18.932 -1.362 72 HD1 HIS 10 HD1 HIS 10 2.811 -19.859 0.902 73 HD2 HIS 10 HD2 HIS 10 1.211 -21.053 -2.738 74 HE1 HIS 10 HE1 HIS 10 3.920 -22.043 0.369 75 HE2 HIS 10 HE2 HIS 10 3.093 -22.629 -1.935 76 HA PRO 11 HA PRO 11 5.210 -16.135 0.111 77 HB2 PRO 11 2HB PRO 11 5.077 -13.515 0.595 78 HB3 PRO 11 3HB PRO 11 5.155 -14.123 -1.064 79 HG2 PRO 11 2HG PRO 11 2.807 -13.078 0.459 80 HG3 PRO 11 3HG PRO 11 3.208 -12.890 -1.257 81 HD2 PRO 11 2HD PRO 11 1.416 -14.772 -0.157 82 HD3 PRO 11 3HD PRO 11 2.064 -14.777 -1.809 83 H ASN 12 H ASN 12 6.080 -15.530 2.218 84 HA ASN 12 HA ASN 12 4.461 -16.086 4.471 85 HB2 ASN 12 2HB ASN 12 7.152 -14.689 4.325 86 HB3 ASN 12 3HB ASN 12 6.408 -15.299 5.800 87 HD21 ASN 12 1HD2 ASN 12 8.184 -16.634 6.158 88 HD22 ASN 12 2HD2 ASN 12 8.414 -18.093 5.263 89 H GLU 13 H GLU 13 3.941 -14.592 6.250 90 HA GLU 13 HA GLU 13 2.511 -12.345 5.424 91 HB2 GLU 13 2HB GLU 13 2.138 -13.566 7.547 92 HB3 GLU 13 3HB GLU 13 3.621 -12.873 8.190 93 HG2 GLU 13 2HG GLU 13 2.689 -10.657 8.114 94 HG3 GLU 13 3HG GLU 13 1.251 -11.246 7.281 95 H GLU 14 H GLU 14 5.710 -12.428 7.037 96 HA GLU 14 HA GLU 14 6.124 -9.614 6.794 97 HB2 GLU 14 2HB GLU 14 7.275 -11.067 8.470 98 HB3 GLU 14 3HB GLU 14 8.216 -11.770 7.163 99 HG2 GLU 14 2HG GLU 14 9.239 -9.625 6.696 100 HG3 GLU 14 3HG GLU 14 8.227 -8.848 7.912 101 H ALA 15 H ALA 15 6.766 -12.346 4.699 102 HA ALA 15 HA ALA 15 8.622 -11.131 2.950 103 HB1 ALA 15 3HB ALA 15 8.223 -13.548 2.980 104 HB2 ALA 15 1HB ALA 15 8.023 -12.883 1.358 105 HB3 ALA 15 2HB ALA 15 6.606 -13.292 2.325 106 H ARG 16 H ARG 16 5.057 -11.399 2.711 107 HA ARG 16 HA ARG 16 4.842 -9.809 0.372 108 HB2 ARG 16 2HB ARG 16 2.479 -9.752 0.770 109 HB3 ARG 16 3HB ARG 16 3.060 -11.349 1.219 110 HG2 ARG 16 2HG ARG 16 3.104 -10.543 3.607 111 HG3 ARG 16 3HG ARG 16 2.256 -9.099 3.052 112 HD2 ARG 16 2HD ARG 16 1.301 -11.958 2.925 113 HD3 ARG 16 3HD ARG 16 0.632 -10.648 3.895 114 HE ARG 16 HE ARG 16 0.568 -10.207 1.043 115 HH11 ARG 16 1HH1 ARG 16 -1.127 -11.400 3.795 116 HH12 ARG 16 2HH1 ARG 16 -2.669 -11.304 3.024 117 HH21 ARG 16 1HH2 ARG 16 -1.403 -10.157 0.041 118 HH22 ARG 16 2HH2 ARG 16 -2.816 -10.618 0.920 119 H LEU 17 H LEU 17 4.929 -9.025 3.801 120 HA LEU 17 HA LEU 17 4.379 -6.277 3.681 121 HB2 LEU 17 2HB LEU 17 4.501 -7.417 5.799 122 HB3 LEU 17 3HB LEU 17 6.165 -7.882 5.510 123 HG LEU 17 HG LEU 17 6.849 -5.511 5.680 124 HD11 LEU 17 1HD1 LEU 17 3.965 -5.022 6.419 125 HD12 LEU 17 2HD1 LEU 17 4.770 -4.471 4.950 126 HD13 LEU 17 3HD1 LEU 17 5.275 -3.844 6.518 127 HD21 LEU 17 3HD2 LEU 17 6.964 -6.926 7.654 128 HD22 LEU 17 1HD2 LEU 17 5.282 -6.558 8.042 129 HD23 LEU 17 2HD2 LEU 17 6.501 -5.286 8.107 130 H ASP 18 H ASP 18 7.427 -8.054 3.183 131 HA ASP 18 HA ASP 18 9.069 -5.779 2.825 132 HB2 ASP 18 2HB ASP 18 9.976 -8.031 3.277 133 HB3 ASP 18 3HB ASP 18 9.434 -8.564 1.687 134 H ILE 19 H ILE 19 7.137 -7.693 0.529 135 HA ILE 19 HA ILE 19 7.849 -6.412 -1.854 136 HB ILE 19 HB ILE 19 5.049 -7.299 -1.105 137 HG12 ILE 19 2HG1 ILE 19 7.229 -8.934 -2.439 138 HG13 ILE 19 3HG1 ILE 19 6.757 -9.089 -0.750 139 HG21 ILE 19 1HG2 ILE 19 5.101 -5.946 -3.124 140 HG22 ILE 19 2HG2 ILE 19 4.763 -7.628 -3.531 141 HG23 ILE 19 3HG2 ILE 19 6.374 -6.965 -3.803 142 HD11 ILE 19 3HD1 ILE 19 4.509 -9.754 -1.438 143 HD12 ILE 19 1HD1 ILE 19 5.744 -10.827 -2.104 144 HD13 ILE 19 2HD1 ILE 19 4.989 -9.610 -3.131 145 H LEU 20 H LEU 20 5.262 -5.569 0.450 146 HA LEU 20 HA LEU 20 4.389 -3.172 -0.652 147 HB2 LEU 20 2HB LEU 20 4.641 -4.021 2.237 148 HB3 LEU 20 3HB LEU 20 3.803 -2.564 1.734 149 HG LEU 20 HG LEU 20 3.009 -5.269 0.666 150 HD11 LEU 20 1HD1 LEU 20 1.266 -5.346 2.395 151 HD12 LEU 20 2HD1 LEU 20 2.001 -3.947 3.184 152 HD13 LEU 20 3HD1 LEU 20 2.890 -5.469 3.068 153 HD21 LEU 20 3HD2 LEU 20 2.179 -3.282 -0.514 154 HD22 LEU 20 1HD2 LEU 20 1.483 -2.680 0.992 155 HD23 LEU 20 2HD2 LEU 20 0.873 -4.170 0.269 156 H LYS 21 H LYS 21 7.144 -3.768 1.507 157 HA LYS 21 HA LYS 21 8.023 -1.106 1.765 158 HB2 LYS 21 2HB LYS 21 9.567 -3.708 1.827 159 HB3 LYS 21 3HB LYS 21 10.278 -2.148 2.223 160 HG2 LYS 21 2HG LYS 21 8.776 -1.896 4.104 161 HG3 LYS 21 3HG LYS 21 7.939 -3.390 3.672 162 HD2 LYS 21 2HD LYS 21 9.934 -4.687 4.113 163 HD3 LYS 21 3HD LYS 21 10.869 -3.220 4.406 164 HE2 LYS 21 2HE LYS 21 8.502 -4.116 6.052 165 HE3 LYS 21 3HE LYS 21 10.187 -4.390 6.483 166 HZ1 LYS 21 3HZ LYS 21 9.314 -2.468 7.618 167 HZ2 LYS 21 1HZ LYS 21 8.884 -1.741 6.155 168 HZ3 LYS 21 2HZ LYS 21 10.514 -1.984 6.530 169 H ILE 22 H ILE 22 8.943 -3.611 -0.624 170 HA ILE 22 HA ILE 22 10.909 -2.296 -2.025 171 HB ILE 22 HB ILE 22 8.743 -4.076 -3.174 172 HG12 ILE 22 2HG1 ILE 22 11.562 -4.708 -2.243 173 HG13 ILE 22 3HG1 ILE 22 10.082 -5.135 -1.398 174 HG21 ILE 22 1HG2 ILE 22 11.391 -3.266 -4.389 175 HG22 ILE 22 2HG2 ILE 22 9.789 -2.796 -4.959 176 HG23 ILE 22 3HG2 ILE 22 10.294 -4.483 -5.047 177 HD11 ILE 22 3HD1 ILE 22 9.434 -6.585 -3.253 178 HD12 ILE 22 1HD1 ILE 22 10.998 -7.042 -2.577 179 HD13 ILE 22 2HD1 ILE 22 10.920 -6.159 -4.100 180 H HIS 23 H HIS 23 7.410 -1.936 -2.420 181 HA HIS 23 HA HIS 23 7.661 -0.010 -4.559 182 HB2 HIS 23 2HB HIS 23 5.288 -0.860 -2.880 183 HB3 HIS 23 3HB HIS 23 5.188 0.247 -4.248 184 HD1 HIS 23 HD1 HIS 23 4.694 -0.830 -6.435 185 HD2 HIS 23 HD2 HIS 23 6.370 -3.505 -3.735 186 HE1 HIS 23 HE1 HIS 23 4.682 -3.054 -7.593 187 HE2 HIS 23 HE2 HIS 23 5.892 -4.596 -6.023 188 H SER 24 H SER 24 6.928 0.139 -1.084 189 HA SER 24 HA SER 24 6.360 2.924 -1.013 190 HB2 SER 24 2HB SER 24 7.173 1.056 1.230 191 HB3 SER 24 3HB SER 24 6.511 2.675 1.448 192 HG SER 24 HG SER 24 5.245 0.320 0.789 193 H ARG 25 H ARG 25 9.364 1.160 -0.854 194 HA ARG 25 HA ARG 25 10.964 2.974 0.557 195 HB2 ARG 25 2HB ARG 25 11.640 0.945 -1.572 196 HB3 ARG 25 3HB ARG 25 12.875 1.916 -0.783 197 HG2 ARG 25 2HG ARG 25 12.369 0.947 1.353 198 HG3 ARG 25 3HG ARG 25 10.960 0.114 0.697 199 HD2 ARG 25 2HD ARG 25 12.458 -1.190 -0.782 200 HD3 ARG 25 3HD ARG 25 13.848 -0.396 -0.045 201 HE ARG 25 HE ARG 25 12.947 -1.441 2.106 202 HH11 ARG 25 1HH1 ARG 25 12.647 -2.898 -1.010 203 HH12 ARG 25 2HH1 ARG 25 12.584 -4.505 -0.367 204 HH21 ARG 25 1HH2 ARG 25 12.841 -3.508 2.907 205 HH22 ARG 25 2HH2 ARG 25 12.647 -4.845 1.825 206 H LYS 26 H LYS 26 9.784 3.123 -2.707 207 HA LYS 26 HA LYS 26 11.695 5.220 -3.445 208 HB2 LYS 26 2HB LYS 26 9.578 3.782 -5.058 209 HB3 LYS 26 3HB LYS 26 10.623 5.045 -5.700 210 HG2 LYS 26 2HG LYS 26 12.594 3.651 -5.189 211 HG3 LYS 26 3HG LYS 26 11.523 2.375 -4.604 212 HD2 LYS 26 2HD LYS 26 11.444 3.504 -7.411 213 HD3 LYS 26 3HD LYS 26 12.339 2.055 -6.955 214 HE2 LYS 26 2HE LYS 26 9.365 2.400 -6.561 215 HE3 LYS 26 3HE LYS 26 10.092 1.611 -7.960 216 HZ1 LYS 26 3HZ LYS 26 10.399 0.732 -5.137 217 HZ2 LYS 26 1HZ LYS 26 11.083 -0.021 -6.486 218 HZ3 LYS 26 2HZ LYS 26 9.405 0.007 -6.294 219 H MET 27 H MET 27 8.953 5.249 -1.725 220 HA MET 27 HA MET 27 8.192 7.931 -2.712 221 HB2 MET 27 2HB MET 27 6.314 5.814 -1.622 222 HB3 MET 27 3HB MET 27 5.859 7.475 -1.982 223 HG2 MET 27 2HG MET 27 6.536 7.048 -4.359 224 HG3 MET 27 3HG MET 27 6.724 5.349 -3.929 225 HE1 MET 27 3HE MET 27 4.647 3.803 -3.077 226 HE2 MET 27 1HE MET 27 3.025 4.450 -2.829 227 HE3 MET 27 2HE MET 27 4.359 4.997 -1.810 228 H ASN 28 H ASN 28 6.964 9.189 -0.956 229 HA ASN 28 HA ASN 28 8.426 8.945 1.571 230 HB2 ASN 28 2HB ASN 28 6.551 11.107 0.575 231 HB3 ASN 28 3HB ASN 28 7.426 11.157 2.100 232 HD21 ASN 28 1HD2 ASN 28 7.640 11.454 -1.328 233 HD22 ASN 28 2HD2 ASN 28 9.251 12.071 -1.374 234 H LEU 29 H LEU 29 7.557 7.898 3.257 235 HA LEU 29 HA LEU 29 4.656 7.464 3.366 236 HB2 LEU 29 2HB LEU 29 6.869 6.256 5.038 237 HB3 LEU 29 3HB LEU 29 5.175 5.808 5.102 238 HG LEU 29 HG LEU 29 7.001 5.419 2.721 239 HD11 LEU 29 1HD1 LEU 29 7.540 3.917 4.574 240 HD12 LEU 29 2HD1 LEU 29 6.825 3.038 3.223 241 HD13 LEU 29 3HD1 LEU 29 5.855 3.399 4.652 242 HD21 LEU 29 3HD2 LEU 29 4.686 5.827 2.045 243 HD22 LEU 29 1HD2 LEU 29 4.137 4.557 3.139 244 HD23 LEU 29 2HD2 LEU 29 5.148 4.152 1.752 245 H THR 30 H THR 30 3.562 7.663 5.482 246 HA THR 30 HA THR 30 4.017 10.192 6.708 247 HB THR 30 HB THR 30 1.767 9.235 6.551 248 HG1 THR 30 HG1 THR 30 1.547 10.559 8.195 249 HG21 THR 30 3HG2 THR 30 2.768 7.197 8.549 250 HG22 THR 30 1HG2 THR 30 2.280 6.886 6.883 251 HG23 THR 30 2HG2 THR 30 1.083 7.410 8.068 252 H ARG 31 H ARG 31 3.683 9.936 9.411 253 HA ARG 31 HA ARG 31 6.391 9.343 10.187 254 HB2 ARG 31 2HB ARG 31 4.086 10.287 11.903 255 HB3 ARG 31 3HB ARG 31 5.794 10.354 12.320 256 HG2 ARG 31 2HG ARG 31 4.454 11.868 10.080 257 HG3 ARG 31 3HG ARG 31 4.980 12.541 11.625 258 HD2 ARG 31 2HD ARG 31 7.275 12.166 11.094 259 HD3 ARG 31 3HD ARG 31 6.856 11.197 9.680 260 HE ARG 31 HE ARG 31 6.021 13.998 9.716 261 HH11 ARG 31 1HH1 ARG 31 8.218 11.609 8.566 262 HH12 ARG 31 2HH1 ARG 31 8.695 12.550 7.196 263 HH21 ARG 31 1HH2 ARG 31 6.632 15.203 7.962 264 HH22 ARG 31 2HH2 ARG 31 7.800 14.568 6.848 265 H GLY 32 H GLY 32 3.298 7.757 10.597 266 HA2 GLY 32 2HA GLY 32 4.700 5.477 11.824 267 HA3 GLY 32 3HA GLY 32 3.306 6.138 12.667 268 H ILE 33 H ILE 33 4.286 4.836 9.497 269 HA ILE 33 HA ILE 33 1.515 4.030 8.984 270 HB ILE 33 HB ILE 33 2.697 5.136 7.163 271 HG12 ILE 33 2HG1 ILE 33 2.214 2.211 6.526 272 HG13 ILE 33 3HG1 ILE 33 0.957 3.440 6.637 273 HG21 ILE 33 1HG2 ILE 33 4.585 4.112 6.019 274 HG22 ILE 33 2HG2 ILE 33 4.589 2.785 7.183 275 HG23 ILE 33 3HG2 ILE 33 4.974 4.424 7.710 276 HD11 ILE 33 3HD1 ILE 33 1.553 2.955 4.329 277 HD12 ILE 33 1HD1 ILE 33 3.223 3.414 4.654 278 HD13 ILE 33 2HD1 ILE 33 1.943 4.622 4.752 279 H ASN 34 H ASN 34 0.778 2.024 9.319 280 HA ASN 34 HA ASN 34 2.715 -0.160 9.724 281 HB2 ASN 34 2HB ASN 34 1.016 0.312 11.524 282 HB3 ASN 34 3HB ASN 34 -0.247 -0.163 10.391 283 HD21 ASN 34 1HD2 ASN 34 0.359 -1.394 12.913 284 HD22 ASN 34 2HD2 ASN 34 0.795 -3.031 12.578 285 H LEU 35 H LEU 35 3.186 -0.869 7.682 286 HA LEU 35 HA LEU 35 1.193 -1.267 5.651 287 HB2 LEU 35 2HB LEU 35 4.090 -2.103 5.846 288 HB3 LEU 35 3HB LEU 35 3.093 -2.414 4.437 289 HG LEU 35 HG LEU 35 3.758 0.336 5.516 290 HD11 LEU 35 1HD1 LEU 35 5.184 0.550 3.539 291 HD12 LEU 35 2HD1 LEU 35 4.833 -1.121 3.096 292 HD13 LEU 35 3HD1 LEU 35 5.726 -0.770 4.577 293 HD21 LEU 35 3HD2 LEU 35 1.589 0.250 4.388 294 HD22 LEU 35 1HD2 LEU 35 2.337 -0.511 2.984 295 HD23 LEU 35 2HD2 LEU 35 2.766 1.142 3.426 296 H ARG 36 H ARG 36 2.582 -3.244 8.157 297 HA ARG 36 HA ARG 36 1.928 -5.794 7.135 298 HB2 ARG 36 2HB ARG 36 3.451 -5.293 9.081 299 HB3 ARG 36 3HB ARG 36 2.016 -4.991 10.051 300 HG2 ARG 36 2HG ARG 36 1.296 -7.280 9.787 301 HG3 ARG 36 3HG ARG 36 2.628 -7.607 8.674 302 HD2 ARG 36 2HD ARG 36 4.206 -7.019 10.543 303 HD3 ARG 36 3HD ARG 36 2.808 -6.953 11.618 304 HE ARG 36 HE ARG 36 2.531 -9.395 10.637 305 HH11 ARG 36 1HH1 ARG 36 5.374 -7.796 11.727 306 HH12 ARG 36 2HH1 ARG 36 6.145 -9.263 12.212 307 HH21 ARG 36 1HH2 ARG 36 3.524 -11.265 11.260 308 HH22 ARG 36 2HH2 ARG 36 5.103 -11.206 11.968 309 H LYS 37 H LYS 37 0.105 -3.553 9.205 310 HA LYS 37 HA LYS 37 -2.228 -5.043 9.550 311 HB2 LYS 37 2HB LYS 37 -1.699 -2.891 10.693 312 HB3 LYS 37 3HB LYS 37 -2.000 -2.037 9.192 313 HG2 LYS 37 2HG LYS 37 -4.175 -3.740 10.312 314 HG3 LYS 37 3HG LYS 37 -3.820 -2.196 11.086 315 HD2 LYS 37 2HD LYS 37 -4.024 -1.165 8.747 316 HD3 LYS 37 3HD LYS 37 -4.740 -2.703 8.256 317 HE2 LYS 37 2HE LYS 37 -6.478 -2.438 9.961 318 HE3 LYS 37 3HE LYS 37 -5.751 -0.919 10.474 319 HZ1 LYS 37 3HZ LYS 37 -7.610 -0.464 9.063 320 HZ2 LYS 37 1HZ LYS 37 -7.024 -1.481 7.848 321 HZ3 LYS 37 2HZ LYS 37 -6.205 -0.051 8.214 322 H ILE 38 H ILE 38 -1.191 -3.012 6.857 323 HA ILE 38 HA ILE 38 -3.532 -3.167 5.287 324 HB ILE 38 HB ILE 38 -0.663 -2.884 4.352 325 HG12 ILE 38 2HG1 ILE 38 -1.199 -1.159 5.988 326 HG13 ILE 38 3HG1 ILE 38 -1.108 -0.447 4.383 327 HG21 ILE 38 1HG2 ILE 38 -1.620 -1.782 2.381 328 HG22 ILE 38 2HG2 ILE 38 -3.243 -2.133 2.976 329 HG23 ILE 38 3HG2 ILE 38 -2.164 -3.454 2.526 330 HD11 ILE 38 3HD1 ILE 38 -3.629 -1.138 5.875 331 HD12 ILE 38 1HD1 ILE 38 -3.550 -0.448 4.255 332 HD13 ILE 38 2HD1 ILE 38 -2.958 0.475 5.635 333 H ALA 39 H ALA 39 -0.598 -5.172 5.367 334 HA ALA 39 HA ALA 39 -1.285 -6.955 3.295 335 HB1 ALA 39 3HB ALA 39 0.454 -8.406 4.207 336 HB2 ALA 39 1HB ALA 39 0.473 -7.463 5.699 337 HB3 ALA 39 2HB ALA 39 0.990 -6.725 4.182 338 H GLU 40 H GLU 40 -1.946 -7.044 6.778 339 HA GLU 40 HA GLU 40 -3.076 -9.647 6.838 340 HB2 GLU 40 2HB GLU 40 -3.505 -7.316 8.720 341 HB3 GLU 40 3HB GLU 40 -3.997 -8.973 9.040 342 HG2 GLU 40 2HG GLU 40 -1.632 -9.672 8.933 343 HG3 GLU 40 3HG GLU 40 -1.166 -7.990 8.686 344 H LEU 41 H LEU 41 -4.343 -6.611 5.787 345 HA LEU 41 HA LEU 41 -7.122 -7.289 6.023 346 HB2 LEU 41 2HB LEU 41 -5.737 -5.227 4.301 347 HB3 LEU 41 3HB LEU 41 -7.476 -5.360 4.492 348 HG LEU 41 HG LEU 41 -5.512 -4.707 6.698 349 HD11 LEU 41 1HD1 LEU 41 -6.547 -2.477 6.642 350 HD12 LEU 41 2HD1 LEU 41 -7.483 -2.959 5.227 351 HD13 LEU 41 3HD1 LEU 41 -5.724 -2.870 5.132 352 HD21 LEU 41 3HD2 LEU 41 -8.532 -4.770 6.744 353 HD22 LEU 41 1HD2 LEU 41 -7.477 -4.283 8.072 354 HD23 LEU 41 2HD2 LEU 41 -7.469 -5.953 7.506 355 H MET 42 H MET 42 -4.659 -8.327 3.965 356 HA MET 42 HA MET 42 -6.510 -8.998 1.773 357 HB2 MET 42 2HB MET 42 -3.502 -9.290 1.834 358 HB3 MET 42 3HB MET 42 -4.550 -9.436 0.433 359 HG2 MET 42 2HG MET 42 -5.070 -7.068 0.555 360 HG3 MET 42 3HG MET 42 -4.072 -6.913 2.002 361 HE1 MET 42 3HE MET 42 -1.893 -5.082 -0.680 362 HE2 MET 42 1HE MET 42 -2.606 -4.976 0.931 363 HE3 MET 42 2HE MET 42 -3.645 -5.048 -0.494 364 HA PRO 43 HA PRO 43 -6.443 -13.147 3.812 365 HB2 PRO 43 2HB PRO 43 -8.457 -14.110 2.169 366 HB3 PRO 43 3HB PRO 43 -8.722 -13.304 3.719 367 HG2 PRO 43 2HG PRO 43 -8.863 -12.176 0.945 368 HG3 PRO 43 3HG PRO 43 -9.933 -11.882 2.331 369 HD2 PRO 43 2HD PRO 43 -8.056 -10.100 1.610 370 HD3 PRO 43 3HD PRO 43 -8.442 -10.391 3.320 371 H GLY 44 H GLY 44 -6.754 -12.511 0.317 372 HA2 GLY 44 2HA GLY 44 -4.465 -14.291 -0.154 373 HA3 GLY 44 3HA GLY 44 -5.952 -14.592 -1.043 374 H ALA 45 H ALA 45 -3.146 -12.573 -0.753 375 HA ALA 45 HA ALA 45 -3.646 -11.446 -3.393 376 HB1 ALA 45 3HB ALA 45 -4.730 -9.824 -1.906 377 HB2 ALA 45 1HB ALA 45 -3.315 -9.125 -2.692 378 HB3 ALA 45 2HB ALA 45 -3.225 -9.635 -1.007 379 H SER 46 H SER 46 -1.827 -12.020 -4.402 380 HA SER 46 HA SER 46 0.723 -12.139 -2.983 381 HB2 SER 46 2HB SER 46 1.568 -13.253 -4.973 382 HB3 SER 46 3HB SER 46 0.016 -13.965 -4.534 383 HG SER 46 HG SER 46 -0.926 -13.034 -6.255 384 H GLY 47 H GLY 47 2.590 -11.567 -4.872 385 HA2 GLY 47 2HA GLY 47 2.989 -8.838 -4.689 386 HA3 GLY 47 3HA GLY 47 3.766 -9.866 -5.880 387 H ALA 48 H ALA 48 1.275 -10.574 -7.242 388 HA ALA 48 HA ALA 48 1.113 -8.548 -9.165 389 HB1 ALA 48 3HB ALA 48 -0.947 -10.668 -8.548 390 HB2 ALA 48 1HB ALA 48 0.465 -10.874 -9.586 391 HB3 ALA 48 2HB ALA 48 -0.813 -9.751 -10.050 392 H GLU 49 H GLU 49 -1.013 -9.202 -6.388 393 HA GLU 49 HA GLU 49 -2.792 -7.019 -7.008 394 HB2 GLU 49 2HB GLU 49 -2.542 -8.624 -4.450 395 HB3 GLU 49 3HB GLU 49 -3.870 -7.546 -4.870 396 HG2 GLU 49 2HG GLU 49 -3.121 -10.109 -6.269 397 HG3 GLU 49 3HG GLU 49 -4.514 -9.847 -5.225 398 H VAL 50 H VAL 50 -0.175 -7.576 -4.676 399 HA VAL 50 HA VAL 50 -0.279 -5.159 -3.282 400 HB VAL 50 HB VAL 50 2.170 -6.786 -4.026 401 HG11 VAL 50 1HG1 VAL 50 1.837 -4.647 -1.918 402 HG12 VAL 50 2HG1 VAL 50 2.841 -4.553 -3.365 403 HG13 VAL 50 3HG1 VAL 50 3.244 -5.697 -2.086 404 HG21 VAL 50 3HG2 VAL 50 1.932 -7.761 -1.772 405 HG22 VAL 50 1HG2 VAL 50 0.517 -8.082 -2.774 406 HG23 VAL 50 2HG2 VAL 50 0.453 -6.832 -1.532 407 H LYS 51 H LYS 51 1.117 -5.902 -6.431 408 HA LYS 51 HA LYS 51 2.457 -3.533 -7.025 409 HB2 LYS 51 2HB LYS 51 2.480 -5.538 -8.463 410 HB3 LYS 51 3HB LYS 51 0.795 -5.259 -8.881 411 HG2 LYS 51 2HG LYS 51 1.514 -3.044 -9.852 412 HG3 LYS 51 3HG LYS 51 3.181 -3.574 -9.623 413 HD2 LYS 51 2HD LYS 51 1.074 -4.914 -11.331 414 HD3 LYS 51 3HD LYS 51 2.481 -4.018 -11.905 415 HE2 LYS 51 2HE LYS 51 3.963 -5.682 -10.911 416 HE3 LYS 51 3HE LYS 51 2.572 -6.569 -10.288 417 HZ1 LYS 51 3HZ LYS 51 3.316 -6.170 -13.130 418 HZ2 LYS 51 1HZ LYS 51 1.838 -6.826 -12.633 419 HZ3 LYS 51 2HZ LYS 51 3.284 -7.624 -12.268 420 H GLY 52 H GLY 52 -0.979 -4.333 -7.589 421 HA2 GLY 52 2HA GLY 52 -1.691 -1.778 -8.611 422 HA3 GLY 52 3HA GLY 52 -2.801 -2.998 -8.012 423 H VAL 53 H VAL 53 -2.079 -3.206 -5.365 424 HA VAL 53 HA VAL 53 -3.575 -1.202 -4.172 425 HB VAL 53 HB VAL 53 -1.447 -2.923 -2.877 426 HG11 VAL 53 1HG1 VAL 53 -2.656 -2.513 -0.767 427 HG12 VAL 53 2HG1 VAL 53 -3.704 -1.365 -1.600 428 HG13 VAL 53 3HG1 VAL 53 -1.980 -1.029 -1.439 429 HG21 VAL 53 3HG2 VAL 53 -3.181 -4.222 -4.006 430 HG22 VAL 53 1HG2 VAL 53 -4.433 -3.326 -3.146 431 HG23 VAL 53 2HG2 VAL 53 -3.332 -4.376 -2.258 432 H CYS 54 H CYS 54 0.003 -1.449 -4.148 433 HA CYS 54 HA CYS 54 0.495 0.925 -2.728 434 HB2 CYS 54 2HB CYS 54 2.768 0.818 -3.633 435 HB3 CYS 54 3HB CYS 54 2.222 -0.782 -3.141 436 HG CYS 54 HG CYS 54 1.777 -1.728 -5.687 437 H THR 55 H THR 55 0.092 0.384 -6.205 438 HA THR 55 HA THR 55 0.709 3.023 -7.046 439 HB THR 55 HB THR 55 -1.033 0.962 -8.427 440 HG1 THR 55 HG1 THR 55 0.836 -0.015 -8.639 441 HG21 THR 55 3HG2 THR 55 0.376 3.400 -9.537 442 HG22 THR 55 1HG2 THR 55 -1.369 3.208 -9.353 443 HG23 THR 55 2HG2 THR 55 -0.483 2.188 -10.487 444 H GLU 56 H GLU 56 -2.406 1.416 -6.378 445 HA GLU 56 HA GLU 56 -4.053 3.624 -6.996 446 HB2 GLU 56 2HB GLU 56 -4.605 1.352 -5.070 447 HB3 GLU 56 3HB GLU 56 -5.810 2.426 -5.766 448 HG2 GLU 56 2HG GLU 56 -4.088 0.471 -7.283 449 HG3 GLU 56 3HG GLU 56 -5.791 0.264 -6.884 450 H ALA 57 H ALA 57 -2.471 2.613 -3.990 451 HA ALA 57 HA ALA 57 -3.519 4.527 -2.241 452 HB1 ALA 57 3HB ALA 57 -0.712 3.400 -2.318 453 HB2 ALA 57 1HB ALA 57 -2.095 2.705 -1.472 454 HB3 ALA 57 2HB ALA 57 -1.435 4.257 -0.955 455 H GLY 58 H GLY 58 -0.795 4.756 -4.519 456 HA2 GLY 58 2HA GLY 58 -0.065 7.424 -4.037 457 HA3 GLY 58 3HA GLY 58 0.138 6.579 -5.566 458 H MET 59 H MET 59 -2.650 6.091 -6.051 459 HA MET 59 HA MET 59 -3.445 8.494 -7.299 460 HB2 MET 59 2HB MET 59 -5.196 6.141 -6.538 461 HB3 MET 59 3HB MET 59 -5.584 7.378 -7.724 462 HG2 MET 59 2HG MET 59 -3.101 5.785 -8.110 463 HG3 MET 59 3HG MET 59 -4.653 5.019 -8.432 464 HE1 MET 59 3HE MET 59 -2.948 8.643 -10.748 465 HE2 MET 59 1HE MET 59 -2.103 7.784 -9.461 466 HE3 MET 59 2HE MET 59 -3.480 8.818 -9.077 467 H TYR 60 H TYR 60 -4.624 6.933 -4.318 468 HA TYR 60 HA TYR 60 -6.473 8.888 -3.537 469 HB2 TYR 60 2HB TYR 60 -4.815 6.930 -1.941 470 HB3 TYR 60 3HB TYR 60 -5.989 7.997 -1.182 471 HD1 TYR 60 HD2 TYR 60 -8.421 7.830 -1.916 472 HD2 TYR 60 HD1 TYR 60 -5.504 4.899 -2.934 473 HE1 TYR 60 HE2 TYR 60 -10.213 6.213 -2.379 474 HE2 TYR 60 HE1 TYR 60 -7.290 3.277 -3.400 475 HH TYR 60 HH TYR 60 -9.668 2.908 -2.709 476 H ALA 61 H ALA 61 -2.996 8.627 -2.847 477 HA ALA 61 HA ALA 61 -2.791 10.917 -1.224 478 HB1 ALA 61 3HB ALA 61 -0.391 10.815 -1.691 479 HB2 ALA 61 1HB ALA 61 -0.688 9.686 -3.011 480 HB3 ALA 61 2HB ALA 61 -1.040 9.210 -1.349 481 H LEU 62 H LEU 62 -2.029 10.562 -4.701 482 HA LEU 62 HA LEU 62 -1.320 13.206 -5.190 483 HB2 LEU 62 2HB LEU 62 -2.496 11.168 -7.078 484 HB3 LEU 62 3HB LEU 62 -1.815 12.700 -7.590 485 HG LEU 62 HG LEU 62 -0.303 10.468 -6.215 486 HD11 LEU 62 1HD1 LEU 62 -0.205 11.463 -9.063 487 HD12 LEU 62 2HD1 LEU 62 -0.870 9.924 -8.518 488 HD13 LEU 62 3HD1 LEU 62 0.857 10.240 -8.364 489 HD21 LEU 62 3HD2 LEU 62 0.585 12.642 -5.569 490 HD22 LEU 62 1HD2 LEU 62 0.672 13.129 -7.263 491 HD23 LEU 62 2HD2 LEU 62 1.697 11.824 -6.666 492 H ARG 63 H ARG 63 -4.575 11.732 -5.378 493 HA ARG 63 HA ARG 63 -5.859 13.954 -6.554 494 HB2 ARG 63 2HB ARG 63 -7.954 13.001 -5.795 495 HB3 ARG 63 3HB ARG 63 -6.903 11.720 -6.381 496 HG2 ARG 63 2HG ARG 63 -6.318 11.168 -4.052 497 HG3 ARG 63 3HG ARG 63 -7.437 12.414 -3.493 498 HD2 ARG 63 2HD ARG 63 -8.445 10.178 -3.407 499 HD3 ARG 63 3HD ARG 63 -9.298 11.232 -4.537 500 HE ARG 63 HE ARG 63 -7.430 9.870 -6.038 501 HH11 ARG 63 1HH1 ARG 63 -10.082 8.974 -4.022 502 HH12 ARG 63 2HH1 ARG 63 -10.463 7.584 -4.976 503 HH21 ARG 63 1HH2 ARG 63 -7.916 8.075 -7.224 504 HH22 ARG 63 2HH2 ARG 63 -9.251 7.075 -6.762 505 H GLU 64 H GLU 64 -5.025 13.266 -3.205 506 HA GLU 64 HA GLU 64 -6.203 15.823 -2.354 507 HB2 GLU 64 2HB GLU 64 -5.085 13.515 -0.756 508 HB3 GLU 64 3HB GLU 64 -5.652 15.019 -0.043 509 HG2 GLU 64 2HG GLU 64 -7.886 14.581 -1.041 510 HG3 GLU 64 3HG GLU 64 -7.287 13.015 -1.586 511 H ARG 65 H ARG 65 -3.549 15.190 -3.864 512 HA ARG 65 HA ARG 65 -1.500 16.126 -4.078 513 HB2 ARG 65 2HB ARG 65 -2.627 18.178 -2.153 514 HB3 ARG 65 3HB ARG 65 -1.123 18.364 -3.040 515 HG2 ARG 65 2HG ARG 65 -2.694 19.597 -4.264 516 HG3 ARG 65 3HG ARG 65 -2.512 18.092 -5.162 517 HD2 ARG 65 2HD ARG 65 -4.566 17.234 -4.100 518 HD3 ARG 65 3HD ARG 65 -4.756 18.768 -3.251 519 HE ARG 65 HE ARG 65 -4.576 19.219 -6.031 520 HH11 ARG 65 1HH1 ARG 65 -6.742 18.016 -3.636 521 HH12 ARG 65 2HH1 ARG 65 -8.144 18.367 -4.581 522 HH21 ARG 65 1HH2 ARG 65 -6.380 19.675 -7.217 523 HH22 ARG 65 2HH2 ARG 65 -7.940 19.292 -6.584 524 H ARG 66 H ARG 66 -2.118 14.252 -1.717 525 HA ARG 66 HA ARG 66 -0.330 14.901 0.402 526 HB2 ARG 66 2HB ARG 66 -1.296 12.154 -0.447 527 HB3 ARG 66 3HB ARG 66 -0.597 12.571 1.106 528 HG2 ARG 66 2HG ARG 66 -2.531 13.963 1.626 529 HG3 ARG 66 3HG ARG 66 -3.228 13.602 0.043 530 HD2 ARG 66 2HD ARG 66 -3.285 11.202 0.640 531 HD3 ARG 66 3HD ARG 66 -2.639 11.596 2.232 532 HE ARG 66 HE ARG 66 -5.022 13.048 1.717 533 HH11 ARG 66 1HH1 ARG 66 -3.952 9.851 2.490 534 HH12 ARG 66 2HH1 ARG 66 -5.413 9.473 3.340 535 HH21 ARG 66 1HH2 ARG 66 -6.895 12.492 2.762 536 HH22 ARG 66 2HH2 ARG 66 -7.036 10.923 3.486 537 H VAL 67 H VAL 67 1.866 15.055 0.161 538 HA VAL 67 HA VAL 67 3.277 13.476 -1.823 539 HB VAL 67 HB VAL 67 4.479 15.188 0.369 540 HG11 VAL 67 1HG1 VAL 67 6.465 15.235 -1.066 541 HG12 VAL 67 2HG1 VAL 67 5.660 14.173 -2.221 542 HG13 VAL 67 3HG1 VAL 67 6.049 13.585 -0.604 543 HG21 VAL 67 3HG2 VAL 67 4.680 16.944 -1.349 544 HG22 VAL 67 1HG2 VAL 67 2.996 16.542 -1.009 545 HG23 VAL 67 2HG2 VAL 67 3.771 15.934 -2.472 546 H HIS 68 H HIS 68 3.122 13.586 1.739 547 HA HIS 68 HA HIS 68 4.473 11.022 1.945 548 HB2 HIS 68 2HB HIS 68 4.088 11.272 4.406 549 HB3 HIS 68 3HB HIS 68 4.990 12.599 3.688 550 HD1 HIS 68 HD1 HIS 68 4.011 14.923 3.912 551 HD2 HIS 68 HD2 HIS 68 1.410 11.952 5.204 552 HE1 HIS 68 HE1 HIS 68 2.117 16.129 5.032 553 HE2 HIS 68 HE2 HIS 68 0.509 14.322 5.722 554 H VAL 69 H VAL 69 3.361 9.259 1.406 555 HA VAL 69 HA VAL 69 0.509 9.083 1.516 556 HB VAL 69 HB VAL 69 2.470 6.801 1.170 557 HG11 VAL 69 1HG1 VAL 69 -0.417 7.099 0.324 558 HG12 VAL 69 2HG1 VAL 69 0.191 6.072 1.624 559 HG13 VAL 69 3HG1 VAL 69 0.626 5.726 -0.050 560 HG21 VAL 69 3HG2 VAL 69 2.953 8.574 -0.451 561 HG22 VAL 69 1HG2 VAL 69 1.262 8.582 -0.958 562 HG23 VAL 69 2HG2 VAL 69 2.265 7.158 -1.246 563 H THR 70 H THR 70 -0.814 7.996 2.963 564 HA THR 70 HA THR 70 0.474 7.201 5.509 565 HB THR 70 HB THR 70 -1.473 7.891 6.706 566 HG1 THR 70 HG1 THR 70 -2.712 8.391 4.173 567 HG21 THR 70 3HG2 THR 70 0.014 9.728 6.082 568 HG22 THR 70 1HG2 THR 70 -1.661 10.278 6.127 569 HG23 THR 70 2HG2 THR 70 -0.879 9.957 4.578 570 H GLN 71 H GLN 71 -0.886 5.641 6.816 571 HA GLN 71 HA GLN 71 -1.247 3.198 5.519 572 HB2 GLN 71 2HB GLN 71 -0.912 3.496 7.957 573 HB3 GLN 71 3HB GLN 71 -2.539 4.147 8.090 574 HG2 GLN 71 2HG GLN 71 -3.439 1.980 7.320 575 HG3 GLN 71 3HG GLN 71 -1.796 1.340 7.275 576 HE21 GLN 71 1HE2 GLN 71 -2.155 -0.214 8.832 577 HE22 GLN 71 2HE2 GLN 71 -2.436 0.165 10.493 578 H GLU 72 H GLU 72 -3.536 5.770 6.205 579 HA GLU 72 HA GLU 72 -5.963 4.570 5.605 580 HB2 GLU 72 2HB GLU 72 -5.913 6.758 6.551 581 HB3 GLU 72 3HB GLU 72 -4.982 7.399 5.206 582 HG2 GLU 72 2HG GLU 72 -6.900 7.137 3.727 583 HG3 GLU 72 3HG GLU 72 -7.832 6.425 5.043 584 H ASP 73 H ASP 73 -3.722 6.200 3.353 585 HA ASP 73 HA ASP 73 -5.300 5.947 1.043 586 HB2 ASP 73 2HB ASP 73 -2.278 6.063 1.258 587 HB3 ASP 73 3HB ASP 73 -3.218 6.383 -0.198 588 H PHE 74 H PHE 74 -2.850 3.780 2.422 589 HA PHE 74 HA PHE 74 -2.809 1.930 0.284 590 HB2 PHE 74 2HB PHE 74 -1.947 1.788 3.157 591 HB3 PHE 74 3HB PHE 74 -1.915 0.344 2.150 592 HD1 PHE 74 HD2 PHE 74 -0.403 0.189 0.235 593 HD2 PHE 74 HD1 PHE 74 -0.368 3.580 2.814 594 HE1 PHE 74 HE2 PHE 74 1.786 0.850 -0.672 595 HE2 PHE 74 HE1 PHE 74 1.819 4.246 1.908 596 HZ PHE 74 HZ PHE 74 2.899 2.881 0.165 597 H GLU 75 H GLU 75 -4.607 1.787 3.406 598 HA GLU 75 HA GLU 75 -5.836 -0.697 2.788 599 HB2 GLU 75 2HB GLU 75 -7.405 -0.193 4.636 600 HB3 GLU 75 3HB GLU 75 -5.718 -0.010 5.083 601 HG2 GLU 75 2HG GLU 75 -5.904 2.402 4.917 602 HG3 GLU 75 3HG GLU 75 -7.578 2.254 4.380 603 H MET 76 H MET 76 -6.881 2.654 2.238 604 HA MET 76 HA MET 76 -9.421 2.061 1.174 605 HB2 MET 76 2HB MET 76 -7.502 4.331 0.673 606 HB3 MET 76 3HB MET 76 -9.054 4.234 -0.149 607 HG2 MET 76 2HG MET 76 -8.593 4.419 2.823 608 HG3 MET 76 3HG MET 76 -9.240 5.674 1.766 609 HE1 MET 76 3HE MET 76 -12.674 4.036 0.673 610 HE2 MET 76 1HE MET 76 -11.132 3.748 -0.139 611 HE3 MET 76 2HE MET 76 -11.553 5.371 0.411 612 H ALA 77 H ALA 77 -6.219 2.010 -0.291 613 HA ALA 77 HA ALA 77 -7.052 1.401 -2.937 614 HB1 ALA 77 3HB ALA 77 -4.749 0.641 -3.278 615 HB2 ALA 77 1HB ALA 77 -4.468 0.702 -1.537 616 HB3 ALA 77 2HB ALA 77 -4.794 2.187 -2.430 617 H VAL 78 H VAL 78 -6.154 -0.669 -0.167 618 HA VAL 78 HA VAL 78 -6.398 -3.175 -1.358 619 HB VAL 78 HB VAL 78 -7.146 -2.420 1.481 620 HG11 VAL 78 1HG1 VAL 78 -8.065 -4.606 0.829 621 HG12 VAL 78 2HG1 VAL 78 -6.784 -4.770 2.030 622 HG13 VAL 78 3HG1 VAL 78 -6.454 -5.133 0.335 623 HG21 VAL 78 3HG2 VAL 78 -4.859 -1.799 0.955 624 HG22 VAL 78 1HG2 VAL 78 -4.540 -3.414 0.322 625 HG23 VAL 78 2HG2 VAL 78 -4.874 -3.189 2.040 626 H ALA 79 H ALA 79 -8.934 -1.224 0.216 627 HA ALA 79 HA ALA 79 -11.096 -2.962 -0.152 628 HB1 ALA 79 3HB ALA 79 -12.522 -0.996 0.100 629 HB2 ALA 79 1HB ALA 79 -11.138 0.062 -0.191 630 HB3 ALA 79 2HB ALA 79 -11.188 -0.950 1.252 631 H LYS 80 H LYS 80 -9.672 -0.602 -2.350 632 HA LYS 80 HA LYS 80 -11.658 -0.883 -4.397 633 HB2 LYS 80 2HB LYS 80 -10.453 1.190 -4.257 634 HB3 LYS 80 3HB LYS 80 -8.904 0.361 -4.355 635 HG2 LYS 80 2HG LYS 80 -9.315 -0.245 -6.658 636 HG3 LYS 80 3HG LYS 80 -10.935 0.449 -6.584 637 HD2 LYS 80 2HD LYS 80 -8.400 2.034 -6.149 638 HD3 LYS 80 3HD LYS 80 -9.218 1.897 -7.706 639 HE2 LYS 80 2HE LYS 80 -10.392 3.057 -5.172 640 HE3 LYS 80 3HE LYS 80 -9.837 3.969 -6.574 641 HZ1 LYS 80 3HZ LYS 80 -12.195 3.756 -6.690 642 HZ2 LYS 80 1HZ LYS 80 -12.124 2.080 -6.476 643 HZ3 LYS 80 2HZ LYS 80 -11.534 2.776 -7.896 644 H VAL 81 H VAL 81 -8.593 -2.472 -3.713 645 HA VAL 81 HA VAL 81 -8.440 -3.700 -6.344 646 HB VAL 81 HB VAL 81 -6.700 -4.033 -3.888 647 HG11 VAL 81 1HG1 VAL 81 -6.264 -5.105 -6.682 648 HG12 VAL 81 2HG1 VAL 81 -6.613 -6.063 -5.243 649 HG13 VAL 81 3HG1 VAL 81 -5.098 -5.169 -5.358 650 HG21 VAL 81 3HG2 VAL 81 -5.072 -2.713 -5.178 651 HG22 VAL 81 1HG2 VAL 81 -6.562 -1.813 -4.889 652 HG23 VAL 81 2HG2 VAL 81 -6.255 -2.526 -6.473 653 H MET 82 H MET 82 -8.892 -4.892 -2.997 654 HA MET 82 HA MET 82 -9.357 -7.600 -3.915 655 HB2 MET 82 2HB MET 82 -9.575 -6.348 -1.168 656 HB3 MET 82 3HB MET 82 -9.796 -8.061 -1.498 657 HG2 MET 82 2HG MET 82 -7.273 -6.504 -2.032 658 HG3 MET 82 3HG MET 82 -7.560 -7.537 -0.634 659 HE1 MET 82 3HE MET 82 -9.162 -9.967 -1.900 660 HE2 MET 82 1HE MET 82 -7.824 -10.185 -0.770 661 HE3 MET 82 2HE MET 82 -7.851 -11.081 -2.287 662 H GLN 83 H GLN 83 -11.321 -4.903 -2.767 663 HA GLN 83 HA GLN 83 -13.550 -4.475 -2.799 664 HB2 GLN 83 2HB GLN 83 -13.492 -6.520 -5.025 665 HB3 GLN 83 3HB GLN 83 -14.821 -5.414 -4.705 666 HG2 GLN 83 2HG GLN 83 -13.392 -3.511 -5.185 667 HG3 GLN 83 3HG GLN 83 -12.012 -4.583 -5.423 668 HE21 GLN 83 1HE2 GLN 83 -13.256 -2.688 -7.261 669 HE22 GLN 83 2HE2 GLN 83 -13.703 -3.606 -8.653 670 H LYS 84 H LYS 84 -12.545 -7.169 -1.386 671 HA LYS 84 HA LYS 84 -15.259 -8.037 -0.665 672 HB2 LYS 84 2HB LYS 84 -13.000 -9.886 -1.466 673 HB3 LYS 84 3HB LYS 84 -14.474 -10.424 -0.676 674 HG2 LYS 84 2HG LYS 84 -14.301 -9.101 -3.383 675 HG3 LYS 84 3HG LYS 84 -14.548 -10.821 -3.077 676 HD2 LYS 84 2HD LYS 84 -16.656 -10.261 -1.883 677 HD3 LYS 84 3HD LYS 84 -16.418 -8.568 -2.319 678 HE2 LYS 84 2HE LYS 84 -16.783 -10.875 -4.232 679 HE3 LYS 84 3HE LYS 84 -17.977 -9.638 -3.847 680 HZ1 LYS 84 3HZ LYS 84 -15.349 -9.099 -5.114 681 HZ2 LYS 84 1HZ LYS 84 -16.589 -7.979 -4.851 682 HZ3 LYS 84 2HZ LYS 84 -16.805 -9.245 -5.955 683 H ASP 85 H ASP 85 -15.438 -7.696 1.462 684 HA ASP 85 HA ASP 85 -13.220 -7.890 3.286 685 HB2 ASP 85 2HB ASP 85 -15.085 -7.636 5.027 686 HB3 ASP 85 3HB ASP 85 -14.876 -6.306 3.889 687 H SER 86 H SER 86 -12.681 -9.547 4.646 688 HA SER 86 HA SER 86 -14.410 -11.852 5.012 689 HB2 SER 86 2HB SER 86 -11.758 -12.127 3.565 690 HB3 SER 86 3HB SER 86 -12.662 -13.484 4.234 691 HG SER 86 HG SER 86 -13.795 -11.677 2.370
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