NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17074 | 2b87 | 6806 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 1HT VAL 1 5.567 -13.088 9.663 2 2H VAL 1 2HT VAL 1 6.718 -13.640 10.783 3 3H VAL 1 3HT VAL 1 5.289 -14.521 10.527 4 HA VAL 1 HA VAL 1 7.157 -15.585 9.431 5 HB VAL 1 HB VAL 1 6.159 -15.684 7.148 6 1HG1 VAL 1 1HG1 VAL 1 3.990 -16.523 7.836 7 2HG1 VAL 1 2HG1 VAL 1 4.042 -15.572 9.320 8 3HG1 VAL 1 3HG1 VAL 1 5.161 -16.918 9.093 9 1HG2 VAL 1 1HG2 VAL 1 4.217 -14.271 6.613 10 2HG2 VAL 1 2HG2 VAL 1 5.623 -13.262 6.934 11 3HG2 VAL 1 3HG2 VAL 1 4.370 -13.441 8.161 12 H ASP 2 H ASP 2 8.282 -15.369 7.139 13 HA ASP 2 HA ASP 2 10.256 -13.358 7.359 14 1HB ASP 2 2HB ASP 2 11.091 -14.195 5.250 15 2HB ASP 2 1HB ASP 2 10.545 -15.568 6.210 16 H ASN 3 H ASN 3 7.271 -13.586 5.531 17 HA ASN 3 HA ASN 3 7.756 -11.111 4.070 18 1HB ASN 3 2HB ASN 3 5.345 -12.943 4.108 19 2HB ASN 3 1HB ASN 3 5.608 -11.606 2.991 20 1HD2 ASN 3 1HD2 ASN 3 8.147 -11.861 2.084 21 2HD2 ASN 3 2HD2 ASN 3 8.425 -13.393 1.409 22 H LYS 4 H LYS 4 7.120 -11.455 7.167 23 HA LYS 4 HA LYS 4 4.682 -10.233 7.748 24 1HB LYS 4 2HB LYS 4 6.215 -11.236 9.428 25 2HB LYS 4 1HB LYS 4 7.289 -9.853 9.232 26 1HG LYS 4 2HG LYS 4 5.475 -8.342 9.963 27 2HG LYS 4 1HG LYS 4 4.393 -9.724 10.139 28 1HD LYS 4 2HD LYS 4 5.201 -9.398 12.327 29 2HD LYS 4 1HD LYS 4 6.227 -10.689 11.697 30 1HE LYS 4 2HE LYS 4 7.816 -9.236 12.609 31 2HE LYS 4 1HE LYS 4 7.778 -8.707 10.927 32 1HZ LYS 4 1HZ LYS 4 5.845 -7.462 12.704 33 2HZ LYS 4 2HZ LYS 4 6.774 -6.781 11.455 34 3HZ LYS 4 3HZ LYS 4 7.469 -7.058 12.981 35 H PHE 5 H PHE 5 7.830 -8.737 7.061 36 HA PHE 5 HA PHE 5 7.076 -6.078 7.440 37 1HB PHE 5 2HB PHE 5 9.110 -5.474 6.415 38 2HB PHE 5 1HB PHE 5 9.441 -7.027 7.173 39 HD1 PHE 5 1HD PHE 5 9.254 -9.144 5.719 40 HD2 PHE 5 2HD PHE 5 9.422 -5.172 4.089 41 HE1 PHE 5 1HE PHE 5 9.931 -10.076 3.524 42 HE2 PHE 5 2HE PHE 5 10.098 -6.106 1.894 43 HZ PHE 5 HZ PHE 5 10.353 -8.556 1.613 44 H ASN 6 H ASN 6 6.860 -8.199 4.584 45 HA ASN 6 HA ASN 6 6.023 -6.218 2.727 46 1HB ASN 6 2HB ASN 6 6.791 -8.510 2.107 47 2HB ASN 6 1HB ASN 6 5.314 -9.157 2.804 48 1HD2 ASN 6 1HD2 ASN 6 4.220 -9.873 0.933 49 2HD2 ASN 6 2HD2 ASN 6 3.832 -8.857 -0.385 50 H LYS 7 H LYS 7 4.333 -8.462 4.844 51 HA LYS 7 HA LYS 7 1.704 -7.855 4.095 52 1HB LYS 7 2HB LYS 7 2.658 -9.794 5.543 53 2HB LYS 7 1HB LYS 7 2.534 -8.660 6.888 54 1HG LYS 7 2HG LYS 7 0.184 -8.461 6.645 55 2HG LYS 7 1HG LYS 7 0.211 -9.200 5.046 56 1HD LYS 7 2HD LYS 7 1.302 -11.212 6.515 57 2HD LYS 7 1HD LYS 7 0.237 -10.482 7.719 58 1HE LYS 7 2HE LYS 7 -0.608 -11.343 4.934 59 2HE LYS 7 1HE LYS 7 -0.927 -12.248 6.413 60 1HZ LYS 7 1HZ LYS 7 -2.692 -10.601 5.475 61 2HZ LYS 7 2HZ LYS 7 -1.743 -9.429 6.258 62 3HZ LYS 7 3HZ LYS 7 -2.430 -10.701 7.148 63 H GLU 8 H GLU 8 3.883 -6.574 6.531 64 HA GLU 8 HA GLU 8 2.014 -4.691 7.552 65 1HB GLU 8 2HB GLU 8 4.998 -5.035 7.857 66 2HB GLU 8 1HB GLU 8 4.093 -3.742 8.665 67 1HG GLU 8 2HG GLU 8 2.697 -5.368 9.817 68 2HG GLU 8 1HG GLU 8 3.432 -6.693 8.927 69 H LEU 9 H LEU 9 4.564 -4.598 5.180 70 HA LEU 9 HA LEU 9 4.700 -1.795 4.654 71 1HB LEU 9 2HB LEU 9 6.403 -3.287 3.787 72 2HB LEU 9 1HB LEU 9 5.200 -4.237 2.920 73 HG LEU 9 HG LEU 9 4.646 -2.035 1.672 74 1HD1 LEU 9 1HD1 LEU 9 6.573 -0.984 3.433 75 2HD1 LEU 9 2HD1 LEU 9 5.876 -0.217 2.001 76 3HD1 LEU 9 3HD1 LEU 9 7.370 -1.095 1.858 77 1HD2 LEU 9 1HD2 LEU 9 7.280 -3.452 1.314 78 2HD2 LEU 9 2HD2 LEU 9 6.535 -2.393 0.118 79 3HD2 LEU 9 3HD2 LEU 9 5.733 -3.886 0.598 80 H GLY 10 H GLY 10 2.630 -4.396 3.484 81 1HA GLY 10 2HA GLY 10 1.218 -2.756 1.667 82 2HA GLY 10 1HA GLY 10 0.753 -4.348 2.225 83 H TRP 11 H TRP 11 0.728 -3.925 4.962 84 HA TRP 11 HA TRP 11 -1.803 -2.761 5.155 85 1HB TRP 11 2HB TRP 11 -0.616 -4.636 6.612 86 2HB TRP 11 1HB TRP 11 -0.424 -3.230 7.674 87 HD1 TRP 11 HD TRP 11 -2.266 -3.868 9.348 88 HE1 TRP 11 1HE TRP 11 -4.841 -3.985 9.256 89 HE3 TRP 11 3HE TRP 11 -3.041 -3.550 4.297 90 HZ2 TRP 11 2HZ TRP 11 -6.930 -3.890 7.323 91 HZ3 TRP 11 3HZ TRP 11 -5.275 -3.534 3.358 92 HH2 TRP 11 HH TRP 11 -7.261 -3.720 4.865 93 H ALA 12 H ALA 12 1.248 -1.618 6.413 94 HA ALA 12 HA ALA 12 0.120 0.582 7.660 95 1HB ALA 12 1HB ALA 12 2.627 1.420 6.636 96 2HB ALA 12 2HB ALA 12 2.767 -0.312 6.938 97 3HB ALA 12 3HB ALA 12 2.290 0.769 8.241 98 H THR 13 H THR 13 1.090 -0.013 4.314 99 HA THR 13 HA THR 13 0.705 2.514 3.147 100 HB THR 13 HB THR 13 0.445 -0.307 2.191 101 HG1 THR 13 1HG THR 13 2.478 0.093 2.174 102 1HG2 THR 13 1HG2 THR 13 0.444 0.754 -0.125 103 2HG2 THR 13 2HG2 THR 13 -0.076 2.240 0.669 104 3HG2 THR 13 3HG2 THR 13 -1.082 0.794 0.753 105 H TRP 14 H TRP 14 -1.576 -0.153 3.689 106 HA TRP 14 HA TRP 14 -3.874 1.083 2.578 107 1HB TRP 14 2HB TRP 14 -3.471 -1.367 3.196 108 2HB TRP 14 1HB TRP 14 -3.858 -0.905 4.835 109 HD1 TRP 14 HD TRP 14 -6.306 -0.732 5.485 110 HE1 TRP 14 1HE TRP 14 -8.536 -1.066 4.253 111 HE3 TRP 14 3HE TRP 14 -4.677 -0.764 0.616 112 HZ2 TRP 14 2HZ TRP 14 -9.493 -1.322 1.583 113 HZ3 TRP 14 3HZ TRP 14 -6.259 -1.065 -1.200 114 HH2 TRP 14 HH TRP 14 -8.639 -1.346 -0.733 115 H GLU 15 H GLU 15 -2.702 0.808 5.916 116 HA GLU 15 HA GLU 15 -4.872 2.085 7.163 117 1HB GLU 15 2HB GLU 15 -1.966 1.827 7.983 118 2HB GLU 15 1HB GLU 15 -3.255 2.390 9.051 119 1HG GLU 15 2HG GLU 15 -4.413 0.285 8.917 120 2HG GLU 15 1HG GLU 15 -3.397 -0.275 7.593 121 H ILE 16 H ILE 16 -1.898 3.334 5.738 122 HA ILE 16 HA ILE 16 -2.303 6.093 6.477 123 HB ILE 16 HB ILE 16 -0.653 4.776 4.266 124 1HG1 ILE 16 2HG1 ILE 16 0.273 5.973 6.875 125 2HG1 ILE 16 1HG1 ILE 16 -0.065 4.274 6.695 126 1HG2 ILE 16 1HG2 ILE 16 0.486 7.248 4.954 127 2HG2 ILE 16 2HG2 ILE 16 -1.235 7.581 4.766 128 3HG2 ILE 16 3HG2 ILE 16 -0.327 6.846 3.446 129 1HD1 ILE 16 1HD1 ILE 16 1.883 3.896 5.584 130 2HD1 ILE 16 2HD1 ILE 16 2.385 5.464 6.205 131 3HD1 ILE 16 3HD1 ILE 16 1.694 5.338 4.580 132 H PHE 17 H PHE 17 -3.105 3.981 3.807 133 HA PHE 17 HA PHE 17 -4.166 5.801 1.918 134 1HB PHE 17 2HB PHE 17 -3.633 3.151 1.968 135 2HB PHE 17 1HB PHE 17 -5.356 3.088 2.229 136 HD1 PHE 17 1HD PHE 17 -2.706 4.313 -0.093 137 HD2 PHE 17 2HD PHE 17 -6.871 3.432 0.458 138 HE1 PHE 17 1HE PHE 17 -3.048 4.459 -2.541 139 HE2 PHE 17 2HE PHE 17 -7.233 3.591 -1.982 140 HZ PHE 17 HZ PHE 17 -5.321 4.096 -3.473 141 H ASN 18 H ASN 18 -5.528 4.065 4.657 142 HA ASN 18 HA ASN 18 -8.238 5.013 4.169 143 1HB ASN 18 2HB ASN 18 -7.065 3.208 6.293 144 2HB ASN 18 1HB ASN 18 -8.776 3.591 6.145 145 1HD2 ASN 18 1HD2 ASN 18 -9.405 1.410 5.622 146 2HD2 ASN 18 2HD2 ASN 18 -8.985 0.678 4.151 147 H LEU 19 H LEU 19 -5.661 6.566 5.569 148 HA LEU 19 HA LEU 19 -6.811 7.337 8.043 149 1HB LEU 19 2HB LEU 19 -4.492 8.208 6.461 150 2HB LEU 19 1HB LEU 19 -5.161 9.424 7.546 151 HG LEU 19 HG LEU 19 -4.360 6.607 8.370 152 1HD1 LEU 19 1HD1 LEU 19 -2.598 7.905 9.629 153 2HD1 LEU 19 2HD1 LEU 19 -3.068 9.294 8.664 154 3HD1 LEU 19 3HD1 LEU 19 -2.408 7.868 7.880 155 1HD2 LEU 19 1HD2 LEU 19 -4.525 8.537 10.510 156 2HD2 LEU 19 2HD2 LEU 19 -5.405 7.017 10.323 157 3HD2 LEU 19 3HD2 LEU 19 -6.056 8.502 9.642 158 HA PRO 20 HA PRO 20 -9.838 10.063 6.313 159 1HB PRO 20 2HB PRO 20 -10.478 11.054 8.953 160 2HB PRO 20 1HB PRO 20 -11.364 9.881 7.968 161 1HG PRO 20 2HG PRO 20 -10.082 9.294 10.297 162 2HG PRO 20 1HG PRO 20 -10.397 8.117 9.011 163 1HD PRO 20 2HD PRO 20 -7.874 9.612 9.616 164 2HD PRO 20 1HD PRO 20 -8.091 7.920 9.147 165 H ASN 21 H ASN 21 -6.890 11.321 7.129 166 HA ASN 21 HA ASN 21 -7.965 14.057 6.691 167 1HB ASN 21 2HB ASN 21 -6.135 13.400 8.987 168 2HB ASN 21 1HB ASN 21 -6.594 15.016 8.488 169 1HD2 ASN 21 1HD2 ASN 21 -7.682 12.163 10.203 170 2HD2 ASN 21 2HD2 ASN 21 -9.181 12.798 10.683 171 H LEU 22 H LEU 22 -5.641 11.784 5.906 172 HA LEU 22 HA LEU 22 -3.508 13.646 5.280 173 1HB LEU 22 2HB LEU 22 -3.912 10.782 4.405 174 2HB LEU 22 1HB LEU 22 -2.430 11.721 4.214 175 HG LEU 22 HG LEU 22 -3.755 11.085 6.860 176 1HD1 LEU 22 1HD1 LEU 22 -1.407 9.881 5.404 177 2HD1 LEU 22 2HD1 LEU 22 -2.833 9.069 6.039 178 3HD1 LEU 22 3HD1 LEU 22 -1.626 9.721 7.144 179 1HD2 LEU 22 1HD2 LEU 22 -1.280 11.792 7.522 180 2HD2 LEU 22 2HD2 LEU 22 -2.547 13.005 7.336 181 3HD2 LEU 22 3HD2 LEU 22 -1.391 12.717 6.027 182 H ASN 23 H ASN 23 -2.821 14.291 3.209 183 HA ASN 23 HA ASN 23 -5.019 14.353 1.251 184 1HB ASN 23 2HB ASN 23 -3.917 16.203 0.214 185 2HB ASN 23 1HB ASN 23 -3.900 16.502 1.947 186 1HD2 ASN 23 1HD2 ASN 23 -2.023 17.549 -0.136 187 2HD2 ASN 23 2HD2 ASN 23 -0.478 17.046 0.355 188 H GLY 24 H GLY 24 -4.387 14.108 -1.058 189 1HA GLY 24 2HA GLY 24 -3.501 11.585 -1.634 190 2HA GLY 24 1HA GLY 24 -3.445 12.911 -2.786 191 H VAL 25 H VAL 25 -1.508 14.486 -1.268 192 HA VAL 25 HA VAL 25 0.878 13.265 -2.294 193 HB VAL 25 HB VAL 25 0.458 15.785 -0.692 194 1HG1 VAL 25 1HG1 VAL 25 2.730 15.231 -0.321 195 2HG1 VAL 25 2HG1 VAL 25 2.794 16.264 -1.749 196 3HG1 VAL 25 3HG1 VAL 25 2.902 14.511 -1.923 197 1HG2 VAL 25 1HG2 VAL 25 0.708 15.076 -3.621 198 2HG2 VAL 25 2HG2 VAL 25 1.041 16.713 -3.044 199 3HG2 VAL 25 3HG2 VAL 25 -0.562 16.011 -2.830 200 H GLN 26 H GLN 26 -0.197 14.035 1.075 201 HA GLN 26 HA GLN 26 2.126 13.020 2.273 202 1HB GLN 26 2HB GLN 26 -0.600 13.678 3.208 203 2HB GLN 26 1HB GLN 26 0.360 12.614 4.228 204 1HG GLN 26 2HG GLN 26 1.892 14.233 4.751 205 2HG GLN 26 1HG GLN 26 1.805 14.975 3.148 206 1HE2 GLN 26 1HE2 GLN 26 -0.127 14.578 6.109 207 2HE2 GLN 26 2HE2 GLN 26 -0.887 16.089 6.007 208 H VAL 27 H VAL 27 -0.944 11.434 1.474 209 HA VAL 27 HA VAL 27 -0.285 8.909 2.594 210 HB VAL 27 HB VAL 27 -2.075 9.517 0.216 211 1HG1 VAL 27 1HG1 VAL 27 -1.478 7.148 0.308 212 2HG1 VAL 27 2HG1 VAL 27 -3.138 7.341 0.869 213 3HG1 VAL 27 3HG1 VAL 27 -1.836 7.098 2.036 214 1HG2 VAL 27 1HG2 VAL 27 -3.896 9.375 1.923 215 2HG2 VAL 27 2HG2 VAL 27 -2.800 10.720 2.226 216 3HG2 VAL 27 3HG2 VAL 27 -2.671 9.247 3.184 217 H LYS 28 H LYS 28 0.105 10.286 -0.631 218 HA LYS 28 HA LYS 28 1.318 8.078 -1.895 219 1HB LYS 28 2HB LYS 28 0.367 10.075 -3.062 220 2HB LYS 28 1HB LYS 28 1.711 11.048 -2.467 221 1HG LYS 28 2HG LYS 28 3.264 9.433 -3.649 222 2HG LYS 28 1HG LYS 28 1.833 8.679 -4.360 223 1HD LYS 28 2HD LYS 28 1.184 10.825 -5.375 224 2HD LYS 28 1HD LYS 28 2.584 11.609 -4.646 225 1HE LYS 28 2HE LYS 28 2.782 9.269 -6.566 226 2HE LYS 28 1HE LYS 28 2.909 10.956 -7.060 227 1HZ LYS 28 1HZ LYS 28 4.582 10.313 -4.820 228 2HZ LYS 28 2HZ LYS 28 4.971 11.101 -6.274 229 3HZ LYS 28 3HZ LYS 28 4.962 9.403 -6.200 230 H ALA 29 H ALA 29 2.598 10.669 0.094 231 HA ALA 29 HA ALA 29 5.348 10.187 -0.389 232 1HB ALA 29 1HB ALA 29 4.118 11.432 2.047 233 2HB ALA 29 2HB ALA 29 4.362 12.304 0.533 234 3HB ALA 29 3HB ALA 29 5.746 11.676 1.424 235 H PHE 30 H PHE 30 3.085 9.218 2.127 236 HA PHE 30 HA PHE 30 4.956 7.870 3.702 237 1HB PHE 30 2HB PHE 30 1.974 7.485 3.442 238 2HB PHE 30 1HB PHE 30 2.982 6.779 4.703 239 HD1 PHE 30 1HD PHE 30 0.648 9.197 4.444 240 HD2 PHE 30 2HD PHE 30 4.833 8.892 5.467 241 HE1 PHE 30 1HE PHE 30 0.493 11.260 5.777 242 HE2 PHE 30 2HE PHE 30 4.648 10.974 6.770 243 HZ PHE 30 HZ PHE 30 2.484 12.143 6.922 244 H ILE 31 H ILE 31 2.933 6.982 0.955 245 HA ILE 31 HA ILE 31 3.606 4.232 0.986 246 HB ILE 31 HB ILE 31 2.599 6.031 -1.217 247 1HG1 ILE 31 2HG1 ILE 31 1.330 3.760 0.351 248 2HG1 ILE 31 1HG1 ILE 31 1.037 5.470 0.628 249 1HG2 ILE 31 1HG2 ILE 31 3.921 3.476 -1.525 250 2HG2 ILE 31 2HG2 ILE 31 3.160 4.472 -2.761 251 3HG2 ILE 31 3HG2 ILE 31 2.211 3.274 -1.888 252 1HD1 ILE 31 1HD1 ILE 31 0.031 5.722 -1.551 253 2HD1 ILE 31 2HD1 ILE 31 -0.722 4.334 -0.769 254 3HD1 ILE 31 3HD1 ILE 31 0.502 4.086 -2.009 255 H ASP 32 H ASP 32 4.928 7.066 -0.627 256 HA ASP 32 HA ASP 32 6.926 5.794 -2.108 257 1HB ASP 32 2HB ASP 32 6.534 8.559 -1.055 258 2HB ASP 32 1HB ASP 32 8.143 8.130 -1.627 259 H SER 33 H SER 33 6.964 7.051 1.141 260 HA SER 33 HA SER 33 9.670 6.466 1.765 261 1HB SER 33 2HB SER 33 7.243 6.772 3.563 262 2HB SER 33 1HB SER 33 8.925 6.764 4.106 263 HG SER 33 HG SER 33 7.751 8.572 2.254 264 H LEU 34 H LEU 34 6.662 4.707 1.991 265 HA LEU 34 HA LEU 34 7.460 2.403 3.463 266 1HB LEU 34 2HB LEU 34 5.266 3.285 1.704 267 2HB LEU 34 1HB LEU 34 5.558 1.577 1.696 268 HG LEU 34 HG LEU 34 5.558 2.673 4.378 269 1HD1 LEU 34 1HD1 LEU 34 3.260 3.176 2.539 270 2HD1 LEU 34 2HD1 LEU 34 3.838 4.153 3.884 271 3HD1 LEU 34 3HD1 LEU 34 2.911 2.691 4.193 272 1HD2 LEU 34 1HD2 LEU 34 4.246 0.458 2.846 273 2HD2 LEU 34 2HD2 LEU 34 3.803 0.794 4.521 274 3HD2 LEU 34 3HD2 LEU 34 5.454 0.363 4.110 275 H ARG 35 H ARG 35 7.205 2.965 -0.040 276 HA ARG 35 HA ARG 35 8.291 0.496 -0.890 277 1HB ARG 35 2HB ARG 35 9.094 2.744 -2.603 278 2HB ARG 35 1HB ARG 35 8.152 1.314 -2.997 279 1HG ARG 35 2HG ARG 35 6.210 2.436 -1.786 280 2HG ARG 35 1HG ARG 35 7.201 3.885 -1.776 281 1HD ARG 35 2HD ARG 35 5.936 4.203 -3.698 282 2HD ARG 35 1HD ARG 35 7.393 3.460 -4.352 283 HE ARG 35 HE ARG 35 4.756 2.223 -4.098 284 1HH1 ARG 35 1HH2 ARG 35 6.271 2.177 -6.670 285 2HH1 ARG 35 2HH2 ARG 35 6.920 0.571 -6.687 286 1HH2 ARG 35 1HH1 ARG 35 6.398 0.074 -3.298 287 2HH2 ARG 35 2HH1 ARG 35 6.986 -0.630 -4.775 288 H ASP 36 H ASP 36 9.829 3.622 -0.285 289 HA ASP 36 HA ASP 36 12.476 2.927 -0.952 290 1HB ASP 36 2HB ASP 36 11.549 5.249 -0.716 291 2HB ASP 36 1HB ASP 36 11.597 4.998 1.017 292 H ASP 37 H ASP 37 10.618 2.765 1.988 293 HA ASP 37 HA ASP 37 12.592 0.979 3.174 294 1HB ASP 37 2HB ASP 37 13.114 3.387 3.880 295 2HB ASP 37 1HB ASP 37 11.599 3.342 4.772 296 HA PRO 38 HA PRO 38 8.405 -0.502 3.879 297 1HB PRO 38 2HB PRO 38 9.493 -3.149 3.926 298 2HB PRO 38 1HB PRO 38 8.466 -2.401 2.715 299 1HG PRO 38 2HG PRO 38 11.115 -3.116 2.385 300 2HG PRO 38 1HG PRO 38 10.186 -2.034 1.337 301 1HD PRO 38 2HD PRO 38 12.225 -1.370 3.380 302 2HD PRO 38 1HD PRO 38 11.710 -0.454 1.945 303 H SER 39 H SER 39 11.369 -1.360 5.553 304 HA SER 39 HA SER 39 10.201 -2.617 7.808 305 1HB SER 39 2HB SER 39 12.773 -1.008 7.713 306 2HB SER 39 1HB SER 39 12.335 -2.226 8.908 307 HG SER 39 HG SER 39 13.186 -2.501 6.274 308 H GLN 40 H GLN 40 10.715 0.647 6.794 309 HA GLN 40 HA GLN 40 10.034 1.881 9.315 310 1HB GLN 40 2HB GLN 40 11.683 2.757 7.568 311 2HB GLN 40 1HB GLN 40 10.275 3.201 6.610 312 1HG GLN 40 2HG GLN 40 9.475 4.643 8.431 313 2HG GLN 40 1HG GLN 40 10.846 4.168 9.430 314 1HE2 GLN 40 1HE2 GLN 40 12.279 4.262 6.497 315 2HE2 GLN 40 2HE2 GLN 40 12.714 5.900 6.419 316 H SER 41 H SER 41 8.191 0.369 7.007 317 HA SER 41 HA SER 41 6.148 2.026 6.238 318 1HB SER 41 2HB SER 41 4.751 0.018 6.149 319 2HB SER 41 1HB SER 41 6.383 -0.372 5.626 320 HG SER 41 HG SER 41 5.062 -0.989 8.030 321 H ALA 42 H ALA 42 6.539 0.475 9.395 322 HA ALA 42 HA ALA 42 4.002 1.133 10.487 323 1HB ALA 42 1HB ALA 42 5.040 0.601 12.611 324 2HB ALA 42 2HB ALA 42 6.647 0.782 11.899 325 3HB ALA 42 3HB ALA 42 5.606 -0.557 11.404 326 H ASN 43 H ASN 43 7.119 2.671 10.367 327 HA ASN 43 HA ASN 43 6.622 4.810 12.126 328 1HB ASN 43 2HB ASN 43 8.657 3.955 10.179 329 2HB ASN 43 1HB ASN 43 8.606 5.689 10.511 330 1HD2 ASN 43 1HD2 ASN 43 9.917 2.771 11.606 331 2HD2 ASN 43 2HD2 ASN 43 10.314 3.248 13.186 332 H LEU 44 H LEU 44 6.228 4.317 8.730 333 HA LEU 44 HA LEU 44 5.689 7.022 7.986 334 1HB LEU 44 2HB LEU 44 5.147 4.385 6.578 335 2HB LEU 44 1HB LEU 44 5.209 5.990 5.819 336 HG LEU 44 HG LEU 44 7.482 4.916 7.475 337 1HD1 LEU 44 1HD1 LEU 44 8.518 4.695 5.072 338 2HD1 LEU 44 2HD1 LEU 44 6.835 4.363 4.653 339 3HD1 LEU 44 3HD1 LEU 44 7.663 3.374 5.861 340 1HD2 LEU 44 1HD2 LEU 44 7.104 7.186 5.591 341 2HD2 LEU 44 2HD2 LEU 44 8.691 6.646 6.138 342 3HD2 LEU 44 3HD2 LEU 44 7.502 7.231 7.305 343 H LEU 45 H LEU 45 3.975 4.189 8.795 344 HA LEU 45 HA LEU 45 1.321 5.146 8.384 345 1HB LEU 45 2HB LEU 45 1.572 2.794 8.574 346 2HB LEU 45 1HB LEU 45 2.541 2.932 10.036 347 HG LEU 45 HG LEU 45 0.578 3.733 11.281 348 1HD1 LEU 45 1HD1 LEU 45 -0.754 3.507 8.577 349 2HD1 LEU 45 2HD1 LEU 45 -0.700 4.901 9.653 350 3HD1 LEU 45 3HD1 LEU 45 -1.679 3.499 10.077 351 1HD2 LEU 45 1HD2 LEU 45 1.015 1.333 11.188 352 2HD2 LEU 45 2HD2 LEU 45 0.093 1.195 9.691 353 3HD2 LEU 45 3HD2 LEU 45 -0.725 1.620 11.196 354 H ALA 46 H ALA 46 3.654 5.180 10.949 355 HA ALA 46 HA ALA 46 2.086 6.289 13.007 356 1HB ALA 46 1HB ALA 46 5.022 6.823 12.692 357 2HB ALA 46 2HB ALA 46 4.454 5.204 13.108 358 3HB ALA 46 3HB ALA 46 4.108 6.561 14.179 359 H GLU 47 H GLU 47 4.261 7.608 10.622 360 HA GLU 47 HA GLU 47 4.119 10.322 11.294 361 1HB GLU 47 2HB GLU 47 4.730 8.723 8.844 362 2HB GLU 47 1HB GLU 47 4.638 10.478 8.737 363 1HG GLU 47 2HG GLU 47 6.443 8.920 10.592 364 2HG GLU 47 1HG GLU 47 6.935 9.629 9.062 365 H ALA 48 H ALA 48 2.251 8.214 9.231 366 HA ALA 48 HA ALA 48 0.645 10.181 8.034 367 1HB ALA 48 1HB ALA 48 1.095 7.502 7.749 368 2HB ALA 48 2HB ALA 48 -0.179 8.393 6.933 369 3HB ALA 48 3HB ALA 48 -0.521 7.525 8.427 370 H LYS 49 H LYS 49 0.153 8.016 10.808 371 HA LYS 49 HA LYS 49 -2.424 8.944 11.491 372 1HB LYS 49 2HB LYS 49 -0.217 7.715 13.159 373 2HB LYS 49 1HB LYS 49 -1.798 8.130 13.821 374 1HG LYS 49 2HG LYS 49 -2.870 6.681 12.099 375 2HG LYS 49 1HG LYS 49 -1.271 6.213 11.527 376 1HD LYS 49 2HD LYS 49 -0.740 5.352 13.812 377 2HD LYS 49 1HD LYS 49 -2.389 5.741 14.308 378 1HE LYS 49 2HE LYS 49 -3.176 4.260 12.378 379 2HE LYS 49 1HE LYS 49 -1.505 3.714 12.244 380 1HZ LYS 49 1HZ LYS 49 -1.602 3.080 14.602 381 2HZ LYS 49 2HZ LYS 49 -2.716 2.222 13.649 382 3HZ LYS 49 3HZ LYS 49 -3.245 3.499 14.637 383 H LYS 50 H LYS 50 0.823 10.166 12.034 384 HA LYS 50 HA LYS 50 0.042 12.118 13.948 385 1HB LYS 50 2HB LYS 50 2.330 11.129 13.769 386 2HB LYS 50 1HB LYS 50 2.532 12.004 12.255 387 1HG LYS 50 2HG LYS 50 2.391 14.129 13.347 388 2HG LYS 50 1HG LYS 50 1.798 13.397 14.841 389 1HD LYS 50 2HD LYS 50 4.134 13.894 15.168 390 2HD LYS 50 1HD LYS 50 3.974 12.145 15.003 391 1HE LYS 50 2HE LYS 50 4.317 13.139 12.374 392 2HE LYS 50 1HE LYS 50 5.502 13.982 13.372 393 1HZ LYS 50 1HZ LYS 50 5.182 11.088 12.924 394 2HZ LYS 50 2HZ LYS 50 5.950 11.657 14.329 395 3HZ LYS 50 3HZ LYS 50 6.580 12.039 12.798 396 H LEU 51 H LEU 51 0.620 12.046 10.506 397 HA LEU 51 HA LEU 51 0.264 14.829 10.098 398 1HB LEU 51 2HB LEU 51 0.546 12.432 8.373 399 2HB LEU 51 1HB LEU 51 -0.316 13.795 7.673 400 HG LEU 51 HG LEU 51 2.005 14.027 7.107 401 1HD1 LEU 51 1HD1 LEU 51 1.882 15.990 9.338 402 2HD1 LEU 51 2HD1 LEU 51 0.567 16.019 8.161 403 3HD1 LEU 51 3HD1 LEU 51 2.233 16.240 7.628 404 1HD2 LEU 51 1HD2 LEU 51 3.238 12.751 8.631 405 2HD2 LEU 51 2HD2 LEU 51 2.427 13.453 10.030 406 3HD2 LEU 51 3HD2 LEU 51 3.627 14.390 9.141 407 H ASN 52 H ASN 52 -1.771 12.003 9.866 408 HA ASN 52 HA ASN 52 -4.119 13.237 8.937 409 1HB ASN 52 2HB ASN 52 -3.910 10.890 8.797 410 2HB ASN 52 1HB ASN 52 -3.562 10.721 10.509 411 1HD2 ASN 52 1HD2 ASN 52 -5.392 10.833 11.992 412 2HD2 ASN 52 2HD2 ASN 52 -6.988 10.744 11.421 413 H ASP 53 H ASP 53 -2.900 12.425 12.165 414 HA ASP 53 HA ASP 53 -5.111 13.416 13.582 415 1HB ASP 53 2HB ASP 53 -3.462 11.957 14.643 416 2HB ASP 53 1HB ASP 53 -2.245 13.225 14.510 417 H ALA 54 H ALA 54 -2.126 14.909 12.486 418 HA ALA 54 HA ALA 54 -2.455 17.425 13.706 419 1HB ALA 54 1HB ALA 54 -0.928 18.171 11.779 420 2HB ALA 54 2HB ALA 54 -0.949 16.484 11.267 421 3HB ALA 54 3HB ALA 54 -0.302 16.916 12.848 422 H GLN 55 H GLN 55 -3.538 16.021 10.660 423 HA GLN 55 HA GLN 55 -4.839 18.482 9.786 424 1HB GLN 55 2HB GLN 55 -4.582 15.697 8.652 425 2HB GLN 55 1HB GLN 55 -5.584 16.943 7.893 426 1HG GLN 55 2HG GLN 55 -3.693 18.375 7.540 427 2HG GLN 55 1HG GLN 55 -2.663 17.383 8.570 428 1HE2 GLN 55 1HE2 GLN 55 -2.615 14.945 7.752 429 2HE2 GLN 55 2HE2 GLN 55 -2.389 14.762 6.081 430 H ALA 56 H ALA 56 -5.565 16.082 11.958 431 HA ALA 56 HA ALA 56 -8.432 15.929 11.383 432 1HB ALA 56 1HB ALA 56 -7.222 13.886 12.129 433 2HB ALA 56 2HB ALA 56 -8.510 14.337 13.239 434 3HB ALA 56 3HB ALA 56 -6.833 14.692 13.647 435 HA PRO 57 HA PRO 57 -9.542 18.948 14.364 436 1HB PRO 57 2HB PRO 57 -11.963 17.566 15.117 437 2HB PRO 57 1HB PRO 57 -11.773 18.875 13.942 438 1HG PRO 57 2HG PRO 57 -12.497 16.344 13.287 439 2HG PRO 57 1HG PRO 57 -11.644 17.443 12.186 440 1HD PRO 57 2HD PRO 57 -10.508 15.288 13.943 441 2HD PRO 57 1HD PRO 57 -10.174 15.617 12.222 442 H LYS 58 H LYS 58 -10.185 19.321 16.620 443 HA LYS 58 HA LYS 58 -9.559 17.160 18.508 444 1HB LYS 58 2HB LYS 58 -8.327 19.889 18.613 445 2HB LYS 58 1HB LYS 58 -8.101 18.627 19.807 446 1HG LYS 58 2HG LYS 58 -7.343 18.327 16.879 447 2HG LYS 58 1HG LYS 58 -6.215 18.842 18.128 448 1HD LYS 58 2HD LYS 58 -6.563 16.741 19.352 449 2HD LYS 58 1HD LYS 58 -7.743 16.215 18.157 450 1HE LYS 58 2HE LYS 58 -4.972 16.985 17.270 451 2HE LYS 58 1HE LYS 58 -5.262 15.388 17.960 452 1HZ LYS 58 1HZ LYS 58 -6.234 14.721 16.098 453 2HZ LYS 58 2HZ LYS 58 -5.713 16.162 15.363 454 3HZ LYS 58 3HZ LYS 58 -7.263 16.070 16.056 455 1H VAL 1 1HT VAL 1 -12.620 -8.545 6.804 456 2H VAL 1 2HT VAL 1 -12.105 -7.947 8.308 457 3H VAL 1 3HT VAL 1 -11.623 -7.175 6.873 458 HA VAL 1 HA VAL 1 -14.246 -7.152 8.210 459 HB VAL 1 HB VAL 1 -12.517 -5.025 6.886 460 1HG1 VAL 1 1HG1 VAL 1 -14.102 -3.462 8.087 461 2HG1 VAL 1 2HG1 VAL 1 -15.122 -4.857 8.438 462 3HG1 VAL 1 3HG1 VAL 1 -14.844 -4.365 6.767 463 1HG2 VAL 1 1HG2 VAL 1 -13.040 -5.681 9.809 464 2HG2 VAL 1 2HG2 VAL 1 -12.161 -4.262 9.238 465 3HG2 VAL 1 3HG2 VAL 1 -11.508 -5.874 8.955 466 H ASP 2 H ASP 2 -12.784 -6.128 5.118 467 HA ASP 2 HA ASP 2 -15.180 -5.911 3.655 468 1HB ASP 2 2HB ASP 2 -13.704 -5.951 1.672 469 2HB ASP 2 1HB ASP 2 -13.055 -4.904 2.933 470 H ASN 3 H ASN 3 -12.905 -8.555 4.065 471 HA ASN 3 HA ASN 3 -14.743 -10.649 3.770 472 1HB ASN 3 2HB ASN 3 -14.501 -9.720 1.324 473 2HB ASN 3 1HB ASN 3 -12.920 -10.487 1.370 474 1HD2 ASN 3 1HD2 ASN 3 -16.392 -11.250 1.961 475 2HD2 ASN 3 2HD2 ASN 3 -16.271 -12.864 1.447 476 H LYS 4 H LYS 4 -13.171 -12.747 3.036 477 HA LYS 4 HA LYS 4 -11.271 -12.882 5.142 478 1HB LYS 4 2HB LYS 4 -10.611 -15.072 4.148 479 2HB LYS 4 1HB LYS 4 -12.341 -14.928 4.437 480 1HG LYS 4 2HG LYS 4 -12.789 -15.255 2.258 481 2HG LYS 4 1HG LYS 4 -11.732 -13.933 1.802 482 1HD LYS 4 2HD LYS 4 -10.715 -16.708 2.469 483 2HD LYS 4 1HD LYS 4 -11.097 -16.188 0.830 484 1HE LYS 4 2HE LYS 4 -9.493 -14.145 1.524 485 2HE LYS 4 1HE LYS 4 -8.830 -15.373 2.598 486 1HZ LYS 4 1HZ LYS 4 -9.127 -16.674 0.233 487 2HZ LYS 4 2HZ LYS 4 -7.674 -16.030 0.833 488 3HZ LYS 4 3HZ LYS 4 -8.624 -15.128 -0.249 489 H PHE 5 H PHE 5 -11.166 -11.506 2.107 490 HA PHE 5 HA PHE 5 -8.395 -11.871 1.536 491 1HB PHE 5 2HB PHE 5 -10.591 -10.193 0.350 492 2HB PHE 5 1HB PHE 5 -8.910 -9.996 -0.160 493 HD1 PHE 5 1HD PHE 5 -11.500 -12.611 0.436 494 HD2 PHE 5 2HD PHE 5 -8.001 -11.450 -1.767 495 HE1 PHE 5 1HE PHE 5 -11.674 -14.675 -0.940 496 HE2 PHE 5 2HE PHE 5 -8.170 -13.508 -3.135 497 HZ PHE 5 HZ PHE 5 -9.995 -15.123 -2.710 498 H ASN 6 H ASN 6 -9.875 -10.084 3.916 499 HA ASN 6 HA ASN 6 -8.546 -7.584 3.760 500 1HB ASN 6 2HB ASN 6 -10.352 -8.399 5.460 501 2HB ASN 6 1HB ASN 6 -8.989 -9.045 6.367 502 1HD2 ASN 6 1HD2 ASN 6 -7.214 -6.753 5.415 503 2HD2 ASN 6 2HD2 ASN 6 -7.711 -5.423 6.344 504 H LYS 7 H LYS 7 -7.598 -10.735 4.989 505 HA LYS 7 HA LYS 7 -4.982 -10.004 5.894 506 1HB LYS 7 2HB LYS 7 -6.088 -12.008 6.735 507 2HB LYS 7 1HB LYS 7 -6.222 -12.661 5.105 508 1HG LYS 7 2HG LYS 7 -3.703 -12.650 4.967 509 2HG LYS 7 1HG LYS 7 -3.668 -12.182 6.669 510 1HD LYS 7 2HD LYS 7 -4.778 -14.227 7.326 511 2HD LYS 7 1HD LYS 7 -5.073 -14.666 5.644 512 1HE LYS 7 2HE LYS 7 -2.298 -14.303 6.811 513 2HE LYS 7 1HE LYS 7 -3.113 -15.862 6.702 514 1HZ LYS 7 1HZ LYS 7 -1.959 -14.223 4.598 515 2HZ LYS 7 2HZ LYS 7 -3.430 -14.981 4.218 516 3HZ LYS 7 3HZ LYS 7 -2.095 -15.909 4.709 517 H GLU 8 H GLU 8 -6.295 -11.534 2.995 518 HA GLU 8 HA GLU 8 -3.879 -11.946 1.597 519 1HB GLU 8 2HB GLU 8 -6.695 -11.571 0.515 520 2HB GLU 8 1HB GLU 8 -5.346 -12.306 -0.351 521 1HG GLU 8 2HG GLU 8 -6.748 -13.359 2.122 522 2HG GLU 8 1HG GLU 8 -6.694 -14.100 0.522 523 H ARG 9 H ARG 9 -6.127 -9.240 1.640 524 HA ARG 9 HA ARG 9 -5.211 -7.865 -0.609 525 1HB ARG 9 2HB ARG 9 -7.356 -7.436 0.511 526 2HB ARG 9 1HB ARG 9 -6.500 -6.767 1.900 527 1HG ARG 9 2HG ARG 9 -5.556 -4.996 0.513 528 2HG ARG 9 1HG ARG 9 -6.278 -5.703 -0.927 529 1HD ARG 9 2HD ARG 9 -7.662 -3.848 -0.149 530 2HD ARG 9 1HD ARG 9 -8.532 -5.365 0.065 531 HE ARG 9 HE ARG 9 -7.005 -4.286 2.340 532 1HH1 ARG 9 1HH1 ARG 9 -10.036 -3.892 0.883 533 2HH1 ARG 9 2HH1 ARG 9 -10.955 -4.256 2.304 534 1HH2 ARG 9 1HH2 ARG 9 -8.198 -5.233 4.155 535 2HH2 ARG 9 2HH2 ARG 9 -9.915 -5.014 4.154 536 H VAL 10 H VAL 10 -4.269 -7.526 2.853 537 HA VAL 10 HA VAL 10 -2.575 -5.334 2.399 538 HB VAL 10 HB VAL 10 -2.149 -5.300 4.576 539 1HG1 VAL 10 1HG1 VAL 10 -4.565 -6.239 4.405 540 2HG1 VAL 10 2HG1 VAL 10 -3.758 -6.257 5.982 541 3HG1 VAL 10 3HG1 VAL 10 -3.854 -7.735 5.014 542 1HG2 VAL 10 1HG2 VAL 10 -1.590 -8.257 4.667 543 2HG2 VAL 10 2HG2 VAL 10 -1.172 -7.043 5.886 544 3HG2 VAL 10 3HG2 VAL 10 -0.379 -7.019 4.309 545 H ILE 11 H ILE 11 -1.977 -8.786 2.097 546 HA ILE 11 HA ILE 11 0.836 -8.599 1.800 547 HB ILE 11 HB ILE 11 -0.987 -10.599 0.436 548 1HG1 ILE 11 2HG1 ILE 11 -0.147 -10.256 3.271 549 2HG1 ILE 11 1HG1 ILE 11 -1.574 -11.048 2.616 550 1HG2 ILE 11 1HG2 ILE 11 1.884 -10.879 1.388 551 2HG2 ILE 11 2HG2 ILE 11 1.473 -10.398 -0.262 552 3HG2 ILE 11 3HG2 ILE 11 0.991 -11.982 0.339 553 1HD1 ILE 11 1HD1 ILE 11 -0.003 -12.921 1.837 554 2HD1 ILE 11 2HD1 ILE 11 -0.246 -12.796 3.577 555 3HD1 ILE 11 3HD1 ILE 11 1.234 -12.165 2.846 556 H ALA 12 H ALA 12 -1.863 -8.292 -0.496 557 HA ALA 12 HA ALA 12 -0.280 -8.008 -2.845 558 1HB ALA 12 1HB ALA 12 -2.596 -8.548 -3.125 559 2HB ALA 12 2HB ALA 12 -2.395 -6.898 -3.716 560 3HB ALA 12 3HB ALA 12 -3.095 -7.189 -2.124 561 H ILE 13 H ILE 13 -1.720 -5.689 -0.581 562 HA ILE 13 HA ILE 13 -0.894 -3.349 -1.910 563 HB ILE 13 HB ILE 13 -1.173 -3.856 1.084 564 1HG1 ILE 13 2HG1 ILE 13 -3.120 -2.583 -0.808 565 2HG1 ILE 13 1HG1 ILE 13 -3.165 -4.305 -0.457 566 1HG2 ILE 13 1HG2 ILE 13 -0.011 -1.764 0.778 567 2HG2 ILE 13 2HG2 ILE 13 -1.703 -1.381 1.100 568 3HG2 ILE 13 3HG2 ILE 13 -1.072 -1.310 -0.546 569 1HD1 ILE 13 1HD1 ILE 13 -4.743 -3.149 0.977 570 2HD1 ILE 13 2HD1 ILE 13 -3.477 -2.041 1.488 571 3HD1 ILE 13 3HD1 ILE 13 -3.400 -3.722 1.964 572 H GLY 14 H GLY 14 0.639 -5.345 0.559 573 1HA GLY 14 2HA GLY 14 3.088 -3.999 0.789 574 2HA GLY 14 1HA GLY 14 2.835 -5.716 1.088 575 H GLU 15 H GLU 15 2.017 -6.514 -1.457 576 HA GLU 15 HA GLU 15 4.519 -6.914 -2.680 577 1HB GLU 15 2HB GLU 15 2.370 -8.347 -2.760 578 2HB GLU 15 1HB GLU 15 1.893 -7.295 -4.065 579 1HG GLU 15 2HG GLU 15 3.032 -9.319 -4.922 580 2HG GLU 15 1HG GLU 15 3.936 -7.869 -5.333 581 H ILE 16 H ILE 16 1.748 -4.773 -3.415 582 HA ILE 16 HA ILE 16 2.846 -3.698 -5.822 583 HB ILE 16 HB ILE 16 1.516 -1.808 -3.859 584 1HG1 ILE 16 2HG1 ILE 16 0.091 -3.848 -3.873 585 2HG1 ILE 16 1HG1 ILE 16 -0.705 -2.448 -4.540 586 1HG2 ILE 16 1HG2 ILE 16 0.578 -0.852 -5.926 587 2HG2 ILE 16 2HG2 ILE 16 1.376 -2.102 -6.874 588 3HG2 ILE 16 3HG2 ILE 16 2.334 -0.928 -5.982 589 1HD1 ILE 16 1HD1 ILE 16 -1.047 -4.520 -5.877 590 2HD1 ILE 16 2HD1 ILE 16 0.688 -4.534 -6.205 591 3HD1 ILE 16 3HD1 ILE 16 -0.310 -3.193 -6.779 592 H MET 17 H MET 17 3.047 -2.628 -2.492 593 HA MET 17 HA MET 17 4.824 -0.484 -2.746 594 1HB MET 17 2HB MET 17 4.372 -2.269 -0.373 595 2HB MET 17 1HB MET 17 5.024 -0.624 -0.361 596 1HG MET 17 2HG MET 17 2.291 -1.299 -1.456 597 2HG MET 17 1HG MET 17 2.555 -0.771 0.193 598 1HE MET 17 1HE MET 17 4.024 0.845 0.727 599 2HE MET 17 2HE MET 17 3.436 2.481 0.348 600 3HE MET 17 3HE MET 17 4.906 1.881 -0.431 601 H ARG 18 H ARG 18 5.433 -3.933 -2.673 602 HA ARG 18 HA ARG 18 8.205 -3.793 -1.979 603 1HB ARG 18 2HB ARG 18 6.522 -5.875 -3.286 604 2HB ARG 18 1HB ARG 18 8.245 -6.088 -3.108 605 1HG ARG 18 2HG ARG 18 6.752 -5.267 -0.674 606 2HG ARG 18 1HG ARG 18 6.459 -6.896 -1.267 607 1HD ARG 18 2HD ARG 18 9.206 -6.726 -1.407 608 2HD ARG 18 1HD ARG 18 8.848 -5.770 0.029 609 HE ARG 18 HE ARG 18 8.172 -7.718 1.105 610 1HH1 ARG 18 1HH2 ARG 18 6.254 -8.766 -0.944 611 2HH1 ARG 18 2HH2 ARG 18 7.009 -10.241 -1.445 612 1HH2 ARG 18 1HH1 ARG 18 10.103 -9.415 -0.132 613 2HH2 ARG 18 2HH1 ARG 18 9.183 -10.610 -0.984 614 H LEU 19 H LEU 19 6.366 -3.850 -4.980 615 HA LEU 19 HA LEU 19 8.458 -4.142 -6.814 616 1HB LEU 19 2HB LEU 19 5.905 -2.597 -7.197 617 2HB LEU 19 1HB LEU 19 6.935 -3.208 -8.461 618 HG LEU 19 HG LEU 19 5.595 -4.972 -6.411 619 1HD1 LEU 19 1HD1 LEU 19 4.716 -4.234 -9.210 620 2HD1 LEU 19 2HD1 LEU 19 3.866 -3.868 -7.708 621 3HD1 LEU 19 3HD1 LEU 19 4.009 -5.531 -8.248 622 1HD2 LEU 19 1HD2 LEU 19 6.318 -5.952 -9.087 623 2HD2 LEU 19 2HD2 LEU 19 6.489 -6.723 -7.513 624 3HD2 LEU 19 3HD2 LEU 19 7.674 -5.538 -8.046 625 HA PRO 20 HA PRO 20 10.243 -0.067 -6.159 626 1HB PRO 20 2HB PRO 20 12.595 -1.013 -7.532 627 2HB PRO 20 1HB PRO 20 12.384 -0.712 -5.804 628 1HG PRO 20 2HG PRO 20 12.781 -3.170 -6.925 629 2HG PRO 20 1HG PRO 20 12.006 -2.889 -5.356 630 1HD PRO 20 2HD PRO 20 10.739 -3.456 -8.012 631 2HD PRO 20 1HD PRO 20 10.282 -4.023 -6.389 632 H ASN 21 H ASN 21 9.281 -1.656 -8.984 633 HA ASN 21 HA ASN 21 10.357 0.362 -10.818 634 1HB ASN 21 2HB ASN 21 8.725 -2.123 -11.322 635 2HB ASN 21 1HB ASN 21 9.391 -1.078 -12.564 636 1HD2 ASN 21 1HD2 ASN 21 10.064 -3.903 -12.199 637 2HD2 ASN 21 2HD2 ASN 21 11.722 -3.971 -11.842 638 H LEU 22 H LEU 22 7.429 -0.452 -9.117 639 HA LEU 22 HA LEU 22 5.632 0.956 -10.853 640 1HB LEU 22 2HB LEU 22 5.306 0.176 -7.957 641 2HB LEU 22 1HB LEU 22 4.030 0.823 -8.966 642 HG LEU 22 HG LEU 22 5.449 -1.828 -9.213 643 1HD1 LEU 22 1HD1 LEU 22 3.027 -2.598 -9.239 644 2HD1 LEU 22 2HD1 LEU 22 2.572 -0.940 -8.854 645 3HD1 LEU 22 3HD1 LEU 22 3.550 -1.868 -7.720 646 1HD2 LEU 22 1HD2 LEU 22 3.849 -2.010 -11.231 647 2HD2 LEU 22 2HD2 LEU 22 5.364 -1.129 -11.434 648 3HD2 LEU 22 3HD2 LEU 22 3.841 -0.255 -11.184 649 H ASN 23 H ASN 23 4.617 2.881 -10.552 650 HA ASN 23 HA ASN 23 6.182 5.000 -9.313 651 1HB ASN 23 2HB ASN 23 5.297 5.888 -11.229 652 2HB ASN 23 1HB ASN 23 4.042 4.689 -11.327 653 1HD2 ASN 23 1HD2 ASN 23 2.296 6.054 -11.767 654 2HD2 ASN 23 2HD2 ASN 23 1.768 7.267 -10.710 655 H SER 24 H SER 24 5.264 6.383 -7.632 656 HA SER 24 HA SER 24 4.033 4.957 -5.529 657 1HB SER 24 2HB SER 24 3.495 7.758 -5.249 658 2HB SER 24 1HB SER 24 4.655 6.772 -4.377 659 HG SER 24 HG SER 24 6.169 7.643 -5.532 660 H LEU 25 H LEU 25 2.772 7.197 -7.924 661 HA LEU 25 HA LEU 25 0.071 7.108 -7.046 662 1HB LEU 25 2HB LEU 25 1.568 8.364 -9.207 663 2HB LEU 25 1HB LEU 25 0.003 7.797 -9.727 664 HG LEU 25 HG LEU 25 0.517 9.548 -7.355 665 1HD1 LEU 25 1HD1 LEU 25 0.838 10.731 -9.496 666 2HD1 LEU 25 2HD1 LEU 25 -0.627 11.288 -8.687 667 3HD1 LEU 25 3HD1 LEU 25 -0.741 10.163 -10.042 668 1HD2 LEU 25 1HD2 LEU 25 -1.466 8.739 -6.681 669 2HD2 LEU 25 2HD2 LEU 25 -1.700 7.896 -8.213 670 3HD2 LEU 25 3HD2 LEU 25 -2.184 9.587 -8.051 671 H GLN 26 H GLN 26 2.021 5.244 -9.318 672 HA GLN 26 HA GLN 26 -0.108 3.801 -10.543 673 1HB GLN 26 2HB GLN 26 2.817 3.481 -10.299 674 2HB GLN 26 1HB GLN 26 1.929 1.987 -10.518 675 1HG GLN 26 2HG GLN 26 0.896 2.865 -12.564 676 2HG GLN 26 1HG GLN 26 1.734 4.404 -12.343 677 1HE2 GLN 26 1HE2 GLN 26 3.721 1.871 -11.263 678 2HE2 GLN 26 2HE2 GLN 26 4.648 1.690 -12.672 679 H VAL 27 H VAL 27 1.860 3.382 -7.718 680 HA VAL 27 HA VAL 27 0.947 0.849 -6.916 681 HB VAL 27 HB VAL 27 2.363 3.116 -5.546 682 1HG1 VAL 27 1HG1 VAL 27 2.812 1.346 -3.733 683 2HG1 VAL 27 2HG1 VAL 27 1.369 0.533 -4.342 684 3HG1 VAL 27 3HG1 VAL 27 1.254 2.167 -3.689 685 1HG2 VAL 27 1HG2 VAL 27 3.777 0.659 -5.560 686 2HG2 VAL 27 2HG2 VAL 27 4.099 2.087 -6.542 687 3HG2 VAL 27 3HG2 VAL 27 3.034 0.819 -7.151 688 H VAL 28 H VAL 28 -0.031 4.122 -6.098 689 HA VAL 28 HA VAL 28 -2.089 3.455 -4.309 690 HB VAL 28 HB VAL 28 -1.828 5.835 -6.174 691 1HG1 VAL 28 1HG1 VAL 28 -3.825 6.500 -5.383 692 2HG1 VAL 28 2HG1 VAL 28 -3.256 6.329 -3.720 693 3HG1 VAL 28 3HG1 VAL 28 -3.973 4.953 -4.555 694 1HG2 VAL 28 1HG2 VAL 28 -0.330 6.703 -4.704 695 2HG2 VAL 28 2HG2 VAL 28 -0.217 5.095 -3.990 696 3HG2 VAL 28 3HG2 VAL 28 -1.341 6.276 -3.321 697 H ALA 29 H ALA 29 -1.826 3.552 -7.811 698 HA ALA 29 HA ALA 29 -4.536 3.445 -8.538 699 1HB ALA 29 1HB ALA 29 -2.624 1.866 -10.178 700 2HB ALA 29 2HB ALA 29 -2.175 3.552 -9.906 701 3HB ALA 29 3HB ALA 29 -3.723 3.165 -10.657 702 H PHE 30 H PHE 30 -2.157 0.886 -7.842 703 HA PHE 30 HA PHE 30 -3.980 -1.236 -8.258 704 1HB PHE 30 2HB PHE 30 -1.266 -1.061 -6.903 705 2HB PHE 30 1HB PHE 30 -2.131 -2.567 -7.228 706 HD1 PHE 30 1HD PHE 30 -3.133 -2.599 -9.870 707 HD2 PHE 30 2HD PHE 30 0.386 -0.502 -8.474 708 HE1 PHE 30 1HE PHE 30 -2.266 -2.456 -12.159 709 HE2 PHE 30 2HE PHE 30 1.208 -0.391 -10.768 710 HZ PHE 30 HZ PHE 30 -0.105 -1.372 -12.622 711 H ILE 31 H ILE 31 -2.738 0.487 -5.383 712 HA ILE 31 HA ILE 31 -4.020 -1.087 -3.427 713 HB ILE 31 HB ILE 31 -3.368 1.878 -3.374 714 1HG1 ILE 31 2HG1 ILE 31 -1.834 -0.421 -2.130 715 2HG1 ILE 31 1HG1 ILE 31 -1.461 0.178 -3.735 716 1HG2 ILE 31 1HG2 ILE 31 -4.039 -0.077 -1.157 717 2HG2 ILE 31 2HG2 ILE 31 -4.994 1.323 -1.634 718 3HG2 ILE 31 3HG2 ILE 31 -3.412 1.547 -0.890 719 1HD1 ILE 31 1HD1 ILE 31 -0.009 1.263 -2.046 720 2HD1 ILE 31 2HD1 ILE 31 -1.446 1.838 -1.187 721 3HD1 ILE 31 3HD1 ILE 31 -1.085 2.436 -2.812 722 H ASN 32 H ASN 32 -5.096 1.795 -5.166 723 HA ASN 32 HA ASN 32 -7.639 2.096 -3.988 724 1HB ASN 32 2HB ASN 32 -6.417 2.936 -6.591 725 2HB ASN 32 1HB ASN 32 -8.164 3.034 -6.432 726 1HD2 ASN 32 1HD2 ASN 32 -5.621 5.013 -6.262 727 2HD2 ASN 32 2HD2 ASN 32 -6.100 6.046 -5.004 728 H SER 33 H SER 33 -6.499 -0.106 -6.522 729 HA SER 33 HA SER 33 -9.138 -0.839 -7.327 730 1HB SER 33 2HB SER 33 -6.390 -1.621 -8.080 731 2HB SER 33 1HB SER 33 -7.711 -2.733 -8.460 732 HG SER 33 HG SER 33 -8.755 -0.909 -9.450 733 H LEU 34 H LEU 34 -6.808 -1.908 -4.949 734 HA LEU 34 HA LEU 34 -7.954 -4.478 -4.426 735 1HB LEU 34 2HB LEU 34 -6.764 -2.675 -2.308 736 2HB LEU 34 1HB LEU 34 -6.798 -4.427 -2.339 737 HG LEU 34 HG LEU 34 -5.177 -2.641 -4.154 738 1HD1 LEU 34 1HD1 LEU 34 -3.942 -4.736 -2.481 739 2HD1 LEU 34 2HD1 LEU 34 -4.616 -3.336 -1.643 740 3HD1 LEU 34 3HD1 LEU 34 -3.374 -3.106 -2.882 741 1HD2 LEU 34 1HD2 LEU 34 -4.207 -4.764 -4.970 742 2HD2 LEU 34 2HD2 LEU 34 -5.910 -4.592 -5.356 743 3HD2 LEU 34 3HD2 LEU 34 -5.413 -5.623 -4.036 744 H ARG 35 H ARG 35 -8.394 -1.205 -3.275 745 HA ARG 35 HA ARG 35 -10.511 -1.511 -1.434 746 1HB ARG 35 2HB ARG 35 -9.191 0.622 -2.870 747 2HB ARG 35 1HB ARG 35 -10.926 0.875 -2.954 748 1HG ARG 35 2HG ARG 35 -10.962 1.609 -0.833 749 2HG ARG 35 1HG ARG 35 -10.208 0.129 -0.257 750 1HD ARG 35 2HD ARG 35 -8.013 1.242 -1.235 751 2HD ARG 35 1HD ARG 35 -8.943 2.727 -1.054 752 HE ARG 35 HE ARG 35 -7.704 1.280 1.042 753 1HH1 ARG 35 1HH2 ARG 35 -8.513 4.134 1.322 754 2HH1 ARG 35 2HH2 ARG 35 -9.807 4.055 2.471 755 1HH2 ARG 35 1HH1 ARG 35 -10.302 0.651 2.069 756 2HH2 ARG 35 2HH1 ARG 35 -10.821 2.083 2.892 757 H ASP 36 H ASP 36 -10.517 -0.952 -4.932 758 HA ASP 36 HA ASP 36 -13.316 -0.910 -5.328 759 1HB ASP 36 2HB ASP 36 -11.647 -0.042 -6.949 760 2HB ASP 36 1HB ASP 36 -11.125 -1.692 -7.276 761 H ASP 37 H ASP 37 -10.929 -3.500 -5.374 762 HA ASP 37 HA ASP 37 -13.026 -5.512 -5.083 763 1HB ASP 37 2HB ASP 37 -11.479 -5.088 -7.561 764 2HB ASP 37 1HB ASP 37 -11.481 -6.742 -6.977 765 HA PRO 38 HA PRO 38 -9.460 -6.500 -2.496 766 1HB PRO 38 2HB PRO 38 -11.269 -7.939 -0.811 767 2HB PRO 38 1HB PRO 38 -10.407 -6.439 -0.469 768 1HG PRO 38 2HG PRO 38 -13.146 -6.727 -0.835 769 2HG PRO 38 1HG PRO 38 -12.238 -5.209 -0.828 770 1HD PRO 38 2HD PRO 38 -13.381 -6.684 -3.110 771 2HD PRO 38 1HD PRO 38 -12.902 -4.976 -2.991 772 H SER 39 H SER 39 -12.001 -8.479 -3.825 773 HA SER 39 HA SER 39 -10.894 -11.041 -3.280 774 1HB SER 39 2HB SER 39 -12.747 -10.207 -5.530 775 2HB SER 39 1HB SER 39 -12.468 -11.853 -4.964 776 HG SER 39 HG SER 39 -13.175 -10.980 -2.848 777 H GLN 40 H GLN 40 -10.644 -8.730 -5.926 778 HA GLN 40 HA GLN 40 -8.689 -10.423 -7.259 779 1HB GLN 40 2HB GLN 40 -9.366 -7.919 -8.598 780 2HB GLN 40 1HB GLN 40 -9.287 -9.547 -9.219 781 1HG GLN 40 2HG GLN 40 -11.488 -10.086 -8.524 782 2HG GLN 40 1HG GLN 40 -11.592 -8.680 -7.473 783 1HE2 GLN 40 1HE2 GLN 40 -10.737 -6.617 -9.122 784 2HE2 GLN 40 2HE2 GLN 40 -11.779 -6.467 -10.453 785 H SER 41 H SER 41 -8.208 -8.828 -4.728 786 HA SER 41 HA SER 41 -6.615 -6.594 -5.276 787 1HB SER 41 2HB SER 41 -6.514 -8.717 -3.121 788 2HB SER 41 1HB SER 41 -5.352 -7.398 -3.149 789 HG SER 41 HG SER 41 -7.456 -6.107 -3.415 790 H ALA 42 H ALA 42 -6.040 -9.979 -5.554 791 HA ALA 42 HA ALA 42 -3.215 -9.927 -5.972 792 1HB ALA 42 1HB ALA 42 -5.181 -12.029 -6.878 793 2HB ALA 42 2HB ALA 42 -4.649 -11.880 -5.200 794 3HB ALA 42 3HB ALA 42 -3.475 -12.243 -6.469 795 H ASN 43 H ASN 43 -6.038 -9.514 -7.968 796 HA ASN 43 HA ASN 43 -4.959 -10.141 -10.491 797 1HB ASN 43 2HB ASN 43 -7.340 -10.042 -9.840 798 2HB ASN 43 1HB ASN 43 -7.201 -8.283 -9.870 799 1HD2 ASN 43 1HD2 ASN 43 -6.721 -11.162 -11.985 800 2HD2 ASN 43 2HD2 ASN 43 -7.068 -10.340 -13.428 801 H LEU 44 H LEU 44 -5.685 -6.995 -9.003 802 HA LEU 44 HA LEU 44 -4.349 -5.654 -11.093 803 1HB LEU 44 2HB LEU 44 -4.914 -3.577 -10.026 804 2HB LEU 44 1HB LEU 44 -6.306 -4.633 -10.022 805 HG LEU 44 HG LEU 44 -5.963 -3.366 -7.949 806 1HD1 LEU 44 1HD1 LEU 44 -5.755 -6.109 -7.052 807 2HD1 LEU 44 2HD1 LEU 44 -6.935 -5.829 -8.326 808 3HD1 LEU 44 3HD1 LEU 44 -7.032 -4.910 -6.825 809 1HD2 LEU 44 1HD2 LEU 44 -3.383 -3.891 -8.102 810 2HD2 LEU 44 2HD2 LEU 44 -3.890 -5.196 -7.024 811 3HD2 LEU 44 3HD2 LEU 44 -4.206 -3.522 -6.604 812 H LEU 45 H LEU 45 -3.570 -7.012 -8.063 813 HA LEU 45 HA LEU 45 -1.064 -5.719 -7.628 814 1HB LEU 45 2HB LEU 45 -1.790 -6.964 -5.761 815 2HB LEU 45 1HB LEU 45 -2.325 -8.309 -6.759 816 HG LEU 45 HG LEU 45 0.014 -8.880 -7.274 817 1HD1 LEU 45 1HD1 LEU 45 0.957 -6.617 -7.110 818 2HD1 LEU 45 2HD1 LEU 45 1.832 -7.729 -6.077 819 3HD1 LEU 45 3HD1 LEU 45 0.662 -6.610 -5.378 820 1HD2 LEU 45 1HD2 LEU 45 0.606 -9.088 -4.589 821 2HD2 LEU 45 2HD2 LEU 45 -0.407 -10.207 -5.497 822 3HD2 LEU 45 3HD2 LEU 45 -1.146 -8.905 -4.575 823 H ALA 46 H ALA 46 -2.375 -8.349 -9.437 824 HA ALA 46 HA ALA 46 0.031 -9.465 -10.450 825 1HB ALA 46 1HB ALA 46 -2.107 -9.655 -12.382 826 2HB ALA 46 2HB ALA 46 -2.789 -9.901 -10.776 827 3HB ALA 46 3HB ALA 46 -1.466 -10.925 -11.341 828 H GLU 47 H GLU 47 -2.224 -6.987 -11.518 829 HA GLU 47 HA GLU 47 -0.992 -6.229 -13.928 830 1HB GLU 47 2HB GLU 47 -2.671 -4.608 -11.986 831 2HB GLU 47 1HB GLU 47 -2.220 -4.073 -13.600 832 1HG GLU 47 2HG GLU 47 -3.949 -6.416 -12.839 833 2HG GLU 47 1HG GLU 47 -4.442 -4.953 -13.668 834 H ALA 48 H ALA 48 -0.456 -5.425 -10.573 835 HA ALA 48 HA ALA 48 1.244 -3.184 -10.944 836 1HB ALA 48 1HB ALA 48 1.161 -3.140 -8.689 837 2HB ALA 48 2HB ALA 48 1.626 -4.837 -8.558 838 3HB ALA 48 3HB ALA 48 -0.057 -4.402 -8.859 839 H LYS 49 H LYS 49 1.824 -6.576 -10.160 840 HA LYS 49 HA LYS 49 4.654 -6.381 -10.124 841 1HB LYS 49 2HB LYS 49 2.681 -8.645 -10.369 842 2HB LYS 49 1HB LYS 49 4.419 -8.938 -10.411 843 1HG LYS 49 2HG LYS 49 4.573 -7.701 -8.218 844 2HG LYS 49 1HG LYS 49 2.810 -7.676 -8.181 845 1HD LYS 49 2HD LYS 49 4.428 -10.226 -8.461 846 2HD LYS 49 1HD LYS 49 3.891 -9.597 -6.909 847 1HE LYS 49 2HE LYS 49 1.605 -9.570 -8.577 848 2HE LYS 49 1HE LYS 49 2.396 -11.119 -8.863 849 1HZ LYS 49 1HZ LYS 49 0.837 -11.204 -7.003 850 2HZ LYS 49 2HZ LYS 49 1.732 -10.009 -6.191 851 3HZ LYS 49 3HZ LYS 49 2.426 -11.528 -6.503 852 H LYS 50 H LYS 50 2.224 -6.823 -12.551 853 HA LYS 50 HA LYS 50 3.949 -7.492 -14.747 854 1HB LYS 50 2HB LYS 50 1.132 -6.484 -14.522 855 2HB LYS 50 1HB LYS 50 1.934 -6.636 -16.080 856 1HG LYS 50 2HG LYS 50 2.148 -8.989 -15.877 857 2HG LYS 50 1HG LYS 50 1.831 -8.956 -14.145 858 1HD LYS 50 2HD LYS 50 -0.132 -9.788 -15.421 859 2HD LYS 50 1HD LYS 50 -0.505 -8.299 -14.558 860 1HE LYS 50 2HE LYS 50 -0.276 -6.990 -16.582 861 2HE LYS 50 1HE LYS 50 0.330 -8.386 -17.473 862 1HZ LYS 50 1HZ LYS 50 -2.014 -7.990 -17.915 863 2HZ LYS 50 2HZ LYS 50 -2.372 -8.144 -16.261 864 3HZ LYS 50 3HZ LYS 50 -1.792 -9.481 -17.136 865 H LEU 51 H LEU 51 2.546 -4.536 -13.398 866 HA LEU 51 HA LEU 51 3.530 -2.788 -15.436 867 1HB LEU 51 2HB LEU 51 2.085 -2.527 -12.910 868 2HB LEU 51 1HB LEU 51 3.289 -1.260 -13.114 869 HG LEU 51 HG LEU 51 1.055 -0.696 -14.079 870 1HD1 LEU 51 1HD1 LEU 51 2.203 -0.218 -16.455 871 2HD1 LEU 51 2HD1 LEU 51 3.646 -0.712 -15.562 872 3HD1 LEU 51 3HD1 LEU 51 2.670 0.650 -14.990 873 1HD2 LEU 51 1HD2 LEU 51 1.429 -3.302 -15.292 874 2HD2 LEU 51 2HD2 LEU 51 1.248 -2.084 -16.554 875 3HD2 LEU 51 3HD2 LEU 51 0.001 -2.265 -15.319 876 H ASN 52 H ASN 52 4.627 -3.897 -12.360 877 HA ASN 52 HA ASN 52 6.939 -2.342 -12.052 878 1HB ASN 52 2HB ASN 52 6.299 -3.595 -10.192 879 2HB ASN 52 1HB ASN 52 5.979 -5.034 -11.133 880 1HD2 ASN 52 1HD2 ASN 52 8.427 -3.219 -9.498 881 2HD2 ASN 52 2HD2 ASN 52 9.672 -4.352 -9.669 882 H ASP 53 H ASP 53 6.158 -5.380 -13.523 883 HA ASP 53 HA ASP 53 8.752 -5.998 -14.553 884 1HB ASP 53 2HB ASP 53 6.853 -7.645 -14.327 885 2HB ASP 53 1HB ASP 53 6.106 -6.873 -15.725 886 H ALA 54 H ALA 54 5.996 -4.206 -15.771 887 HA ALA 54 HA ALA 54 6.821 -3.860 -18.441 888 1HB ALA 54 1HB ALA 54 5.212 -1.824 -16.934 889 2HB ALA 54 2HB ALA 54 4.538 -3.411 -17.307 890 3HB ALA 54 3HB ALA 54 5.056 -2.343 -18.613 891 H GLN 55 H GLN 55 7.413 -2.022 -15.483 892 HA GLN 55 HA GLN 55 8.988 -0.018 -16.894 893 1HB GLN 55 2HB GLN 55 8.241 -0.404 -14.037 894 2HB GLN 55 1HB GLN 55 9.217 0.936 -14.605 895 1HG GLN 55 2HG GLN 55 7.441 1.902 -15.756 896 2HG GLN 55 1HG GLN 55 6.599 0.363 -15.945 897 1HE2 GLN 55 1HE2 GLN 55 6.083 -0.651 -13.609 898 2HE2 GLN 55 2HE2 GLN 55 5.349 0.437 -12.536 899 H ALA 56 H ALA 56 9.487 -3.063 -15.545 900 HA ALA 56 HA ALA 56 12.112 -2.702 -14.440 901 1HB ALA 56 1HB ALA 56 10.516 -4.669 -14.004 902 2HB ALA 56 2HB ALA 56 12.211 -5.061 -14.267 903 3HB ALA 56 3HB ALA 56 11.043 -5.288 -15.565 904 HA PRO 57 HA PRO 57 14.516 -2.932 -18.076 905 1HB PRO 57 2HB PRO 57 16.657 -4.431 -16.859 906 2HB PRO 57 1HB PRO 57 16.532 -2.679 -17.067 907 1HG PRO 57 2HG PRO 57 16.490 -3.952 -14.651 908 2HG PRO 57 1HG PRO 57 15.788 -2.354 -14.960 909 1HD PRO 57 2HD PRO 57 14.420 -5.026 -14.866 910 2HD PRO 57 1HD PRO 57 13.895 -3.467 -14.182 911 H LYS 58 H LYS 58 15.679 -4.396 -19.569 912 HA LYS 58 HA LYS 58 15.061 -7.233 -19.395 913 1HB LYS 58 2HB LYS 58 13.701 -5.306 -21.137 914 2HB LYS 58 1HB LYS 58 14.239 -6.771 -21.930 915 1HG LYS 58 2HG LYS 58 12.640 -8.025 -20.920 916 2HG LYS 58 1HG LYS 58 12.972 -7.318 -19.343 917 1HD LYS 58 2HD LYS 58 11.744 -5.204 -20.453 918 2HD LYS 58 1HD LYS 58 11.001 -6.470 -21.428 919 1HE LYS 58 2HE LYS 58 9.556 -6.219 -19.559 920 2HE LYS 58 1HE LYS 58 10.504 -7.661 -19.195 921 1HZ LYS 58 1HZ LYS 58 11.933 -6.396 -17.791 922 2HZ LYS 58 2HZ LYS 58 10.332 -6.059 -17.329 923 3HZ LYS 58 3HZ LYS 58 11.207 -4.935 -18.254 Start of MODEL 2 1 1H VAL 1 1HT VAL 1 6.575 -17.710 8.169 2 2H VAL 1 2HT VAL 1 7.859 -17.041 7.279 3 3H VAL 1 3HT VAL 1 7.878 -18.688 7.698 4 HA VAL 1 HA VAL 1 7.281 -18.599 5.432 5 HB VAL 1 HB VAL 1 4.755 -18.895 7.104 6 1HG1 VAL 1 1HG1 VAL 1 4.152 -20.533 5.283 7 2HG1 VAL 1 2HG1 VAL 1 5.551 -19.962 4.375 8 3HG1 VAL 1 3HG1 VAL 1 4.225 -18.858 4.737 9 1HG2 VAL 1 1HG2 VAL 1 5.423 -21.331 7.112 10 2HG2 VAL 1 2HG2 VAL 1 6.509 -20.294 8.035 11 3HG2 VAL 1 3HG2 VAL 1 6.978 -20.854 6.430 12 H ASP 2 H ASP 2 4.882 -16.707 7.292 13 HA ASP 2 HA ASP 2 4.054 -15.205 4.972 14 1HB ASP 2 2HB ASP 2 2.525 -15.773 6.872 15 2HB ASP 2 1HB ASP 2 3.449 -14.673 7.893 16 H ASN 3 H ASN 3 4.877 -13.346 4.246 17 HA ASN 3 HA ASN 3 7.214 -12.193 5.463 18 1HB ASN 3 2HB ASN 3 5.500 -11.332 3.116 19 2HB ASN 3 1HB ASN 3 6.987 -10.517 3.602 20 1HD2 ASN 3 1HD2 ASN 3 5.721 -13.168 1.789 21 2HD2 ASN 3 2HD2 ASN 3 7.205 -13.911 1.434 22 H LYS 4 H LYS 4 6.590 -11.474 7.497 23 HA LYS 4 HA LYS 4 4.339 -9.939 8.125 24 1HB LYS 4 2HB LYS 4 5.685 -11.011 9.845 25 2HB LYS 4 1HB LYS 4 7.068 -9.994 9.445 26 1HG LYS 4 2HG LYS 4 6.072 -9.000 11.372 27 2HG LYS 4 1HG LYS 4 5.575 -7.987 10.022 28 1HD LYS 4 2HD LYS 4 3.629 -10.036 10.206 29 2HD LYS 4 1HD LYS 4 3.932 -9.512 11.860 30 1HE LYS 4 2HE LYS 4 3.152 -7.739 9.523 31 2HE LYS 4 1HE LYS 4 2.154 -8.138 10.919 32 1HZ LYS 4 1HZ LYS 4 3.004 -6.134 11.559 33 2HZ LYS 4 2HZ LYS 4 4.475 -6.352 10.739 34 3HZ LYS 4 3HZ LYS 4 4.189 -7.161 12.206 35 H PHE 5 H PHE 5 7.615 -8.869 7.192 36 HA PHE 5 HA PHE 5 7.138 -6.123 7.512 37 1HB PHE 5 2HB PHE 5 9.208 -5.764 6.529 38 2HB PHE 5 1HB PHE 5 9.381 -7.407 7.135 39 HD1 PHE 5 1HD PHE 5 9.300 -5.280 4.193 40 HD2 PHE 5 2HD PHE 5 9.059 -9.359 5.539 41 HE1 PHE 5 1HE PHE 5 9.750 -6.073 1.887 42 HE2 PHE 5 2HE PHE 5 9.513 -10.145 3.233 43 HZ PHE 5 HZ PHE 5 9.857 -8.504 1.407 44 H ASN 6 H ASN 6 6.736 -8.259 4.690 45 HA ASN 6 HA ASN 6 5.983 -6.233 2.850 46 1HB ASN 6 2HB ASN 6 6.717 -8.523 2.225 47 2HB ASN 6 1HB ASN 6 5.211 -9.149 2.885 48 1HD2 ASN 6 1HD2 ASN 6 4.364 -9.884 0.859 49 2HD2 ASN 6 2HD2 ASN 6 3.930 -8.814 -0.393 50 H LYS 7 H LYS 7 4.168 -8.428 4.947 51 HA LYS 7 HA LYS 7 1.580 -7.653 4.149 52 1HB LYS 7 2HB LYS 7 2.234 -9.699 5.518 53 2HB LYS 7 1HB LYS 7 2.403 -8.621 6.900 54 1HG LYS 7 2HG LYS 7 0.079 -8.001 6.800 55 2HG LYS 7 1HG LYS 7 -0.132 -8.825 5.255 56 1HD LYS 7 2HD LYS 7 0.902 -10.484 7.502 57 2HD LYS 7 1HD LYS 7 -0.780 -9.968 7.619 58 1HE LYS 7 2HE LYS 7 -1.227 -10.895 5.375 59 2HE LYS 7 1HE LYS 7 0.460 -11.397 5.256 60 1HZ LYS 7 1HZ LYS 7 -0.402 -12.394 7.653 61 2HZ LYS 7 2HZ LYS 7 -0.160 -13.273 6.219 62 3HZ LYS 7 3HZ LYS 7 -1.701 -12.667 6.598 63 H GLU 8 H GLU 8 3.821 -6.549 6.637 64 HA GLU 8 HA GLU 8 2.091 -4.580 7.723 65 1HB GLU 8 2HB GLU 8 3.992 -5.549 8.953 66 2HB GLU 8 1HB GLU 8 5.105 -4.739 7.853 67 1HG GLU 8 2HG GLU 8 4.077 -2.548 8.550 68 2HG GLU 8 1HG GLU 8 3.129 -3.426 9.746 69 H LEU 9 H LEU 9 4.550 -4.575 5.257 70 HA LEU 9 HA LEU 9 4.701 -1.786 4.708 71 1HB LEU 9 2HB LEU 9 6.365 -3.306 3.817 72 2HB LEU 9 1HB LEU 9 5.133 -4.237 2.974 73 HG LEU 9 HG LEU 9 4.587 -2.059 1.710 74 1HD1 LEU 9 1HD1 LEU 9 6.514 -0.981 3.476 75 2HD1 LEU 9 2HD1 LEU 9 5.787 -0.223 2.051 76 3HD1 LEU 9 3HD1 LEU 9 7.296 -1.077 1.890 77 1HD2 LEU 9 1HD2 LEU 9 6.569 -2.382 0.206 78 2HD2 LEU 9 2HD2 LEU 9 5.668 -3.847 0.590 79 3HD2 LEU 9 3HD2 LEU 9 7.200 -3.520 1.397 80 H GLY 10 H GLY 10 2.603 -4.379 3.532 81 1HA GLY 10 2HA GLY 10 1.118 -2.668 1.819 82 2HA GLY 10 1HA GLY 10 0.713 -4.315 2.274 83 H TRP 11 H TRP 11 0.823 -3.951 5.111 84 HA TRP 11 HA TRP 11 -1.779 -3.012 5.402 85 1HB TRP 11 2HB TRP 11 -0.451 -4.742 6.884 86 2HB TRP 11 1HB TRP 11 -0.238 -3.297 7.875 87 HD1 TRP 11 HD TRP 11 -1.962 -3.878 9.712 88 HE1 TRP 11 1HE TRP 11 -4.529 -4.091 9.765 89 HE3 TRP 11 3HE TRP 11 -3.063 -3.852 4.686 90 HZ2 TRP 11 2HZ TRP 11 -6.734 -4.158 7.971 91 HZ3 TRP 11 3HZ TRP 11 -5.346 -3.947 3.897 92 HH2 TRP 11 HH TRP 11 -7.226 -4.121 5.534 93 H ALA 12 H ALA 12 1.218 -1.636 6.586 94 HA ALA 12 HA ALA 12 0.006 0.560 7.776 95 1HB ALA 12 1HB ALA 12 2.702 -0.221 6.995 96 2HB ALA 12 2HB ALA 12 2.177 0.732 8.375 97 3HB ALA 12 3HB ALA 12 2.450 1.514 6.817 98 H THR 13 H THR 13 0.989 -0.089 4.443 99 HA THR 13 HA THR 13 0.573 2.417 3.245 100 HB THR 13 HB THR 13 0.356 -0.428 2.350 101 HG1 THR 13 1HG THR 13 2.365 0.077 2.212 102 1HG2 THR 13 1HG2 THR 13 -1.327 0.587 0.993 103 2HG2 THR 13 2HG2 THR 13 0.136 0.513 0.007 104 3HG2 THR 13 3HG2 THR 13 -0.343 2.037 0.755 105 H TRP 14 H TRP 14 -1.653 -0.266 3.828 106 HA TRP 14 HA TRP 14 -4.007 0.826 2.738 107 1HB TRP 14 2HB TRP 14 -3.393 -1.543 3.625 108 2HB TRP 14 1HB TRP 14 -3.945 -0.933 5.165 109 HD1 TRP 14 HD TRP 14 -6.382 -1.215 5.655 110 HE1 TRP 14 1HE TRP 14 -8.487 -1.774 4.288 111 HE3 TRP 14 3HE TRP 14 -4.497 -0.899 0.873 112 HZ2 TRP 14 2HZ TRP 14 -9.260 -2.063 1.564 113 HZ3 TRP 14 3HZ TRP 14 -5.939 -1.330 -1.026 114 HH2 TRP 14 HH TRP 14 -8.291 -1.917 -0.695 115 H GLU 15 H GLU 15 -2.759 0.807 6.043 116 HA GLU 15 HA GLU 15 -4.938 2.124 7.251 117 1HB GLU 15 2HB GLU 15 -2.042 1.848 8.090 118 2HB GLU 15 1HB GLU 15 -3.340 2.420 9.141 119 1HG GLU 15 2HG GLU 15 -4.506 0.311 8.996 120 2HG GLU 15 1HG GLU 15 -3.454 -0.263 7.704 121 H ILE 16 H ILE 16 -1.921 3.307 5.831 122 HA ILE 16 HA ILE 16 -2.291 6.077 6.526 123 HB ILE 16 HB ILE 16 -0.652 4.713 4.336 124 1HG1 ILE 16 2HG1 ILE 16 0.212 5.913 6.970 125 2HG1 ILE 16 1HG1 ILE 16 -0.054 4.209 6.732 126 1HG2 ILE 16 1HG2 ILE 16 0.570 7.130 4.865 127 2HG2 ILE 16 2HG2 ILE 16 -1.138 7.562 4.910 128 3HG2 ILE 16 3HG2 ILE 16 -0.457 6.802 3.475 129 1HD1 ILE 16 1HD1 ILE 16 2.340 5.603 6.275 130 2HD1 ILE 16 2HD1 ILE 16 1.699 5.278 4.660 131 3HD1 ILE 16 3HD1 ILE 16 1.983 3.947 5.791 132 H PHE 17 H PHE 17 -3.145 3.966 3.880 133 HA PHE 17 HA PHE 17 -4.209 5.843 2.020 134 1HB PHE 17 2HB PHE 17 -3.575 3.241 1.940 135 2HB PHE 17 1HB PHE 17 -5.272 3.069 2.262 136 HD1 PHE 17 1HD PHE 17 -2.733 4.227 -0.139 137 HD2 PHE 17 2HD PHE 17 -6.929 3.679 0.591 138 HE1 PHE 17 1HE PHE 17 -3.174 4.426 -2.560 139 HE2 PHE 17 2HE PHE 17 -7.382 3.883 -1.827 140 HZ PHE 17 HZ PHE 17 -5.499 4.246 -3.403 141 H ASN 18 H ASN 18 -5.473 4.073 4.785 142 HA ASN 18 HA ASN 18 -8.241 4.866 4.360 143 1HB ASN 18 2HB ASN 18 -6.779 2.979 6.103 144 2HB ASN 18 1HB ASN 18 -8.163 3.748 6.864 145 1HD2 ASN 18 1HD2 ASN 18 -7.498 0.937 5.464 146 2HD2 ASN 18 2HD2 ASN 18 -8.932 0.645 4.606 147 H LEU 19 H LEU 19 -5.636 6.569 5.600 148 HA LEU 19 HA LEU 19 -6.804 7.522 7.994 149 1HB LEU 19 2HB LEU 19 -4.468 8.284 6.376 150 2HB LEU 19 1HB LEU 19 -5.125 9.540 7.422 151 HG LEU 19 HG LEU 19 -4.348 6.742 8.330 152 1HD1 LEU 19 1HD1 LEU 19 -2.389 7.987 7.812 153 2HD1 LEU 19 2HD1 LEU 19 -2.586 8.055 9.560 154 3HD1 LEU 19 3HD1 LEU 19 -3.044 9.433 8.567 155 1HD2 LEU 19 1HD2 LEU 19 -5.484 7.210 10.218 156 2HD2 LEU 19 2HD2 LEU 19 -6.003 8.750 9.543 157 3HD2 LEU 19 3HD2 LEU 19 -4.500 8.656 10.452 158 HA PRO 20 HA PRO 20 -9.763 10.203 6.100 159 1HB PRO 20 2HB PRO 20 -10.351 11.388 8.669 160 2HB PRO 20 1HB PRO 20 -11.284 10.185 7.767 161 1HG PRO 20 2HG PRO 20 -10.003 9.716 10.126 162 2HG PRO 20 1HG PRO 20 -10.386 8.466 8.929 163 1HD PRO 20 2HD PRO 20 -7.791 9.867 9.421 164 2HD PRO 20 1HD PRO 20 -8.098 8.170 9.039 165 H ASN 21 H ASN 21 -6.765 11.449 6.911 166 HA ASN 21 HA ASN 21 -7.778 14.158 6.214 167 1HB ASN 21 2HB ASN 21 -5.988 13.685 8.590 168 2HB ASN 21 1HB ASN 21 -6.413 15.253 7.938 169 1HD2 ASN 21 1HD2 ASN 21 -7.294 13.067 10.320 170 2HD2 ASN 21 2HD2 ASN 21 -8.896 13.573 10.555 171 H LEU 22 H LEU 22 -5.508 11.804 5.590 172 HA LEU 22 HA LEU 22 -3.325 13.589 4.901 173 1HB LEU 22 2HB LEU 22 -3.756 10.684 4.188 174 2HB LEU 22 1HB LEU 22 -2.253 11.589 3.992 175 HG LEU 22 HG LEU 22 -3.671 11.122 6.629 176 1HD1 LEU 22 1HD1 LEU 22 -1.542 9.771 7.043 177 2HD1 LEU 22 2HD1 LEU 22 -1.317 9.803 5.296 178 3HD1 LEU 22 3HD1 LEU 22 -2.752 9.056 5.985 179 1HD2 LEU 22 1HD2 LEU 22 -1.163 11.828 7.277 180 2HD2 LEU 22 2HD2 LEU 22 -2.451 13.019 7.098 181 3HD2 LEU 22 3HD2 LEU 22 -1.313 12.731 5.774 182 H ASN 23 H ASN 23 -2.622 14.148 2.823 183 HA ASN 23 HA ASN 23 -4.777 14.085 0.817 184 1HB ASN 23 2HB ASN 23 -3.700 15.919 -0.266 185 2HB ASN 23 1HB ASN 23 -3.719 16.284 1.454 186 1HD2 ASN 23 1HD2 ASN 23 -1.830 17.270 -0.664 187 2HD2 ASN 23 2HD2 ASN 23 -0.283 16.832 -0.120 188 H GLY 24 H GLY 24 -4.084 13.783 -1.468 189 1HA GLY 24 2HA GLY 24 -3.142 11.262 -1.949 190 2HA GLY 24 1HA GLY 24 -3.075 12.556 -3.137 191 H VAL 25 H VAL 25 -1.198 14.211 -1.642 192 HA VAL 25 HA VAL 25 1.227 12.974 -2.545 193 HB VAL 25 HB VAL 25 0.722 15.563 -1.090 194 1HG1 VAL 25 1HG1 VAL 25 3.118 15.999 -2.030 195 2HG1 VAL 25 2HG1 VAL 25 3.241 14.240 -2.098 196 3HG1 VAL 25 3HG1 VAL 25 2.971 15.046 -0.552 197 1HG2 VAL 25 1HG2 VAL 25 1.453 16.355 -3.455 198 2HG2 VAL 25 2HG2 VAL 25 -0.164 15.667 -3.294 199 3HG2 VAL 25 3HG2 VAL 25 1.150 14.686 -3.952 200 H GLN 26 H GLN 26 0.047 13.859 0.758 201 HA GLN 26 HA GLN 26 2.335 12.847 2.040 202 1HB GLN 26 2HB GLN 26 -0.391 13.602 2.890 203 2HB GLN 26 1HB GLN 26 0.495 12.520 3.956 204 1HG GLN 26 2HG GLN 26 2.086 14.086 4.488 205 2HG GLN 26 1HG GLN 26 2.044 14.823 2.882 206 1HE2 GLN 26 1HE2 GLN 26 0.020 14.473 5.791 207 2HE2 GLN 26 2HE2 GLN 26 -0.677 16.013 5.683 208 H VAL 27 H VAL 27 -0.734 11.297 1.164 209 HA VAL 27 HA VAL 27 -0.173 8.796 2.381 210 HB VAL 27 HB VAL 27 -1.860 9.371 -0.079 211 1HG1 VAL 27 1HG1 VAL 27 -2.991 7.218 0.681 212 2HG1 VAL 27 2HG1 VAL 27 -1.620 6.978 1.766 213 3HG1 VAL 27 3HG1 VAL 27 -1.369 7.014 0.020 214 1HG2 VAL 27 1HG2 VAL 27 -2.559 10.608 1.980 215 2HG2 VAL 27 2HG2 VAL 27 -2.648 9.075 2.844 216 3HG2 VAL 27 3HG2 VAL 27 -3.742 9.395 1.498 217 H LYS 28 H LYS 28 0.427 10.078 -0.873 218 HA LYS 28 HA LYS 28 1.685 7.765 -1.919 219 1HB LYS 28 2HB LYS 28 1.619 10.665 -2.726 220 2HB LYS 28 1HB LYS 28 2.791 9.580 -3.477 221 1HG LYS 28 2HG LYS 28 0.889 8.005 -3.991 222 2HG LYS 28 1HG LYS 28 -0.225 9.257 -3.456 223 1HD LYS 28 2HD LYS 28 1.852 10.015 -5.475 224 2HD LYS 28 1HD LYS 28 0.512 9.011 -6.018 225 1HE LYS 28 2HE LYS 28 -0.326 11.166 -6.370 226 2HE LYS 28 1HE LYS 28 -0.979 10.783 -4.780 227 1HZ LYS 28 1HZ LYS 28 0.902 12.792 -5.532 228 2HZ LYS 28 2HZ LYS 28 1.503 11.814 -4.280 229 3HZ LYS 28 3HZ LYS 28 0.023 12.626 -4.092 230 H ALA 29 H ALA 29 2.857 10.472 -0.035 231 HA ALA 29 HA ALA 29 5.624 10.000 -0.347 232 1HB ALA 29 1HB ALA 29 4.552 12.136 0.465 233 2HB ALA 29 2HB ALA 29 5.918 11.562 1.420 234 3HB ALA 29 3HB ALA 29 4.272 11.305 1.996 235 H PHE 30 H PHE 30 3.232 9.090 2.077 236 HA PHE 30 HA PHE 30 5.028 7.771 3.768 237 1HB PHE 30 2HB PHE 30 2.061 7.395 3.383 238 2HB PHE 30 1HB PHE 30 3.010 6.713 4.699 239 HD1 PHE 30 1HD PHE 30 0.700 9.125 4.268 240 HD2 PHE 30 2HD PHE 30 4.823 8.836 5.531 241 HE1 PHE 30 1HE PHE 30 0.475 11.212 5.550 242 HE2 PHE 30 2HE PHE 30 4.564 10.942 6.781 243 HZ PHE 30 HZ PHE 30 2.398 12.112 6.788 244 H ILE 31 H ILE 31 3.070 6.884 0.999 245 HA ILE 31 HA ILE 31 3.638 4.121 1.008 246 HB ILE 31 HB ILE 31 2.727 6.041 -1.117 247 1HG1 ILE 31 2HG1 ILE 31 1.494 3.521 0.052 248 2HG1 ILE 31 1HG1 ILE 31 1.112 5.158 0.567 249 1HG2 ILE 31 1HG2 ILE 31 2.467 3.801 -2.510 250 2HG2 ILE 31 2HG2 ILE 31 3.819 3.261 -1.521 251 3HG2 ILE 31 3HG2 ILE 31 3.989 4.686 -2.541 252 1HD1 ILE 31 1HD1 ILE 31 0.241 5.694 -1.643 253 2HD1 ILE 31 2HD1 ILE 31 -0.551 4.234 -1.044 254 3HD1 ILE 31 3HD1 ILE 31 0.730 4.112 -2.248 255 H ASP 32 H ASP 32 5.154 6.891 -0.511 256 HA ASP 32 HA ASP 32 7.164 5.439 -1.843 257 1HB ASP 32 2HB ASP 32 6.976 8.329 -0.963 258 2HB ASP 32 1HB ASP 32 8.320 7.713 -1.931 259 H SER 33 H SER 33 7.037 6.869 1.332 260 HA SER 33 HA SER 33 9.757 6.386 2.051 261 1HB SER 33 2HB SER 33 7.284 6.678 3.782 262 2HB SER 33 1HB SER 33 8.954 6.735 4.354 263 HG SER 33 HG SER 33 7.776 8.461 2.428 264 H LEU 34 H LEU 34 6.754 4.656 2.234 265 HA LEU 34 HA LEU 34 7.460 2.321 3.708 266 1HB LEU 34 2HB LEU 34 5.339 3.304 1.907 267 2HB LEU 34 1HB LEU 34 5.579 1.588 1.854 268 HG LEU 34 HG LEU 34 5.558 2.570 4.569 269 1HD1 LEU 34 1HD1 LEU 34 3.932 4.158 4.167 270 2HD1 LEU 34 2HD1 LEU 34 2.908 2.734 4.311 271 3HD1 LEU 34 3HD1 LEU 34 3.353 3.336 2.722 272 1HD2 LEU 34 1HD2 LEU 34 3.705 0.787 4.595 273 2HD2 LEU 34 2HD2 LEU 34 5.334 0.285 4.174 274 3HD2 LEU 34 3HD2 LEU 34 4.148 0.512 2.910 275 H ARG 35 H ARG 35 7.308 3.019 0.271 276 HA ARG 35 HA ARG 35 8.338 0.609 -0.756 277 1HB ARG 35 2HB ARG 35 8.451 3.435 -1.828 278 2HB ARG 35 1HB ARG 35 8.865 2.003 -2.771 279 1HG ARG 35 2HG ARG 35 6.634 1.144 -2.572 280 2HG ARG 35 1HG ARG 35 6.215 2.367 -1.406 281 1HD ARG 35 2HD ARG 35 5.263 3.077 -3.474 282 2HD ARG 35 1HD ARG 35 6.651 4.109 -3.164 283 HE ARG 35 HE ARG 35 7.664 3.209 -5.019 284 1HH1 ARG 35 1HH1 ARG 35 5.415 0.922 -3.778 285 2HH1 ARG 35 2HH1 ARG 35 5.358 -0.017 -5.239 286 1HH2 ARG 35 1HH2 ARG 35 7.379 2.177 -7.023 287 2HH2 ARG 35 2HH2 ARG 35 6.493 0.691 -7.072 288 H ASP 36 H ASP 36 9.938 3.646 0.116 289 HA ASP 36 HA ASP 36 12.563 2.920 -0.649 290 1HB ASP 36 2HB ASP 36 11.767 5.248 -0.288 291 2HB ASP 36 1HB ASP 36 11.729 4.903 1.430 292 H ASP 37 H ASP 37 10.754 2.694 2.337 293 HA ASP 37 HA ASP 37 12.614 0.694 3.344 294 1HB ASP 37 2HB ASP 37 13.353 2.992 4.190 295 2HB ASP 37 1HB ASP 37 11.854 3.020 5.114 296 HA PRO 38 HA PRO 38 8.345 -0.545 4.023 297 1HB PRO 38 2HB PRO 38 9.277 -3.252 4.061 298 2HB PRO 38 1HB PRO 38 8.312 -2.436 2.843 299 1HG PRO 38 2HG PRO 38 10.935 -3.294 2.567 300 2HG PRO 38 1HG PRO 38 10.064 -2.198 1.486 301 1HD PRO 38 2HD PRO 38 12.137 -1.583 3.490 302 2HD PRO 38 1HD PRO 38 11.605 -0.640 2.080 303 H SER 39 H SER 39 11.230 -1.494 5.749 304 HA SER 39 HA SER 39 10.002 -2.773 7.954 305 1HB SER 39 2HB SER 39 12.573 -1.167 8.009 306 2HB SER 39 1HB SER 39 12.101 -2.462 9.103 307 HG SER 39 HG SER 39 12.889 -2.573 6.404 308 H GLN 40 H GLN 40 10.538 0.515 7.011 309 HA GLN 40 HA GLN 40 9.786 1.674 9.550 310 1HB GLN 40 2HB GLN 40 10.903 2.607 6.999 311 2HB GLN 40 1HB GLN 40 9.739 3.721 7.699 312 1HG GLN 40 2HG GLN 40 11.850 4.346 8.586 313 2HG GLN 40 1HG GLN 40 11.018 3.499 9.885 314 1HE2 GLN 40 1HE2 GLN 40 13.953 3.628 8.201 315 2HE2 GLN 40 2HE2 GLN 40 14.549 2.096 8.621 316 H SER 41 H SER 41 8.013 0.242 7.155 317 HA SER 41 HA SER 41 6.016 1.941 6.381 318 1HB SER 41 2HB SER 41 4.596 -0.054 6.220 319 2HB SER 41 1HB SER 41 6.234 -0.430 5.706 320 HG SER 41 HG SER 41 6.604 -1.328 7.742 321 H ALA 42 H ALA 42 6.351 0.358 9.523 322 HA ALA 42 HA ALA 42 3.805 1.036 10.601 323 1HB ALA 42 1HB ALA 42 5.343 -0.681 11.540 324 2HB ALA 42 2HB ALA 42 4.854 0.516 12.740 325 3HB ALA 42 3HB ALA 42 6.454 0.616 11.993 326 H ASN 43 H ASN 43 6.969 2.492 10.577 327 HA ASN 43 HA ASN 43 6.486 4.642 12.320 328 1HB ASN 43 2HB ASN 43 8.534 3.855 10.304 329 2HB ASN 43 1HB ASN 43 8.562 5.505 10.939 330 1HD2 ASN 43 1HD2 ASN 43 9.636 2.338 11.533 331 2HD2 ASN 43 2HD2 ASN 43 10.035 2.517 13.173 332 H LEU 44 H LEU 44 6.164 4.181 8.912 333 HA LEU 44 HA LEU 44 5.735 6.899 8.161 334 1HB LEU 44 2HB LEU 44 5.203 4.267 6.744 335 2HB LEU 44 1HB LEU 44 5.298 5.866 5.977 336 HG LEU 44 HG LEU 44 7.518 4.808 7.721 337 1HD1 LEU 44 1HD1 LEU 44 7.627 3.217 6.093 338 2HD1 LEU 44 2HD1 LEU 44 8.679 4.471 5.442 339 3HD1 LEU 44 3HD1 LEU 44 7.027 4.297 4.837 340 1HD2 LEU 44 1HD2 LEU 44 7.566 7.110 7.509 341 2HD2 LEU 44 2HD2 LEU 44 7.174 7.044 5.793 342 3HD2 LEU 44 3HD2 LEU 44 8.759 6.511 6.356 343 H LEU 45 H LEU 45 3.921 4.123 8.925 344 HA LEU 45 HA LEU 45 1.311 5.133 8.408 345 1HB LEU 45 2HB LEU 45 1.478 2.785 8.657 346 2HB LEU 45 1HB LEU 45 2.419 2.922 10.137 347 HG LEU 45 HG LEU 45 0.449 3.810 11.319 348 1HD1 LEU 45 1HD1 LEU 45 -1.783 3.614 10.081 349 2HD1 LEU 45 2HD1 LEU 45 -0.838 3.529 8.597 350 3HD1 LEU 45 3HD1 LEU 45 -0.753 4.964 9.615 351 1HD2 LEU 45 1HD2 LEU 45 -0.020 1.237 9.785 352 2HD2 LEU 45 2HD2 LEU 45 -0.919 1.723 11.223 353 3HD2 LEU 45 3HD2 LEU 45 0.813 1.410 11.329 354 H ALA 46 H ALA 46 3.557 5.185 11.039 355 HA ALA 46 HA ALA 46 1.953 6.380 13.020 356 1HB ALA 46 1HB ALA 46 3.916 6.554 14.263 357 2HB ALA 46 2HB ALA 46 4.889 6.905 12.831 358 3HB ALA 46 3HB ALA 46 4.339 5.258 13.144 359 H GLU 47 H GLU 47 4.226 7.584 10.668 360 HA GLU 47 HA GLU 47 4.129 10.317 11.261 361 1HB GLU 47 2HB GLU 47 4.788 8.638 8.879 362 2HB GLU 47 1HB GLU 47 4.736 10.391 8.716 363 1HG GLU 47 2HG GLU 47 6.507 8.752 10.526 364 2HG GLU 47 1HG GLU 47 6.992 9.714 9.133 365 H ALA 48 H ALA 48 2.265 8.205 9.208 366 HA ALA 48 HA ALA 48 0.752 10.184 7.912 367 1HB ALA 48 1HB ALA 48 -0.502 7.574 8.335 368 2HB ALA 48 2HB ALA 48 1.133 7.485 7.707 369 3HB ALA 48 3HB ALA 48 -0.092 8.394 6.832 370 H LYS 49 H LYS 49 0.136 8.107 10.725 371 HA LYS 49 HA LYS 49 -2.426 9.126 11.329 372 1HB LYS 49 2HB LYS 49 -0.290 7.889 13.081 373 2HB LYS 49 1HB LYS 49 -1.876 8.362 13.691 374 1HG LYS 49 2HG LYS 49 -2.943 6.887 11.990 375 2HG LYS 49 1HG LYS 49 -1.345 6.366 11.466 376 1HD LYS 49 2HD LYS 49 -0.883 5.564 13.789 377 2HD LYS 49 1HD LYS 49 -2.535 5.994 14.232 378 1HE LYS 49 2HE LYS 49 -3.293 4.474 12.313 379 2HE LYS 49 1HE LYS 49 -1.632 3.888 12.260 380 1HZ LYS 49 1HZ LYS 49 -1.841 3.358 14.648 381 2HZ LYS 49 2HZ LYS 49 -2.899 2.462 13.666 382 3HZ LYS 49 3HZ LYS 49 -3.483 3.774 14.573 383 H LYS 50 H LYS 50 0.842 10.265 11.920 384 HA LYS 50 HA LYS 50 0.091 12.292 13.762 385 1HB LYS 50 2HB LYS 50 2.378 11.273 13.594 386 2HB LYS 50 1HB LYS 50 2.576 12.109 12.059 387 1HG LYS 50 2HG LYS 50 2.297 14.281 13.171 388 2HG LYS 50 1HG LYS 50 2.017 13.469 14.713 389 1HD LYS 50 2HD LYS 50 4.309 14.048 14.794 390 2HD LYS 50 1HD LYS 50 4.314 12.348 14.324 391 1HE LYS 50 2HE LYS 50 4.427 13.109 11.910 392 2HE LYS 50 1HE LYS 50 4.672 14.749 12.508 393 1HZ LYS 50 1HZ LYS 50 6.416 12.388 12.863 394 2HZ LYS 50 2HZ LYS 50 6.560 13.764 13.850 395 3HZ LYS 50 3HZ LYS 50 6.803 13.889 12.173 396 H LEU 51 H LEU 51 0.680 12.120 10.322 397 HA LEU 51 HA LEU 51 0.354 14.894 9.848 398 1HB LEU 51 2HB LEU 51 0.619 12.459 8.179 399 2HB LEU 51 1HB LEU 51 -0.216 13.821 7.442 400 HG LEU 51 HG LEU 51 2.105 14.021 6.895 401 1HD1 LEU 51 1HD1 LEU 51 0.703 16.046 7.917 402 2HD1 LEU 51 2HD1 LEU 51 2.381 16.232 7.408 403 3HD1 LEU 51 3HD1 LEU 51 1.999 15.999 9.113 404 1HD2 LEU 51 1HD2 LEU 51 3.311 12.732 8.430 405 2HD2 LEU 51 2HD2 LEU 51 2.505 13.456 9.821 406 3HD2 LEU 51 3HD2 LEU 51 3.727 14.366 8.933 407 H ASN 52 H ASN 52 -1.733 12.102 9.718 408 HA ASN 52 HA ASN 52 -4.037 13.370 8.704 409 1HB ASN 52 2HB ASN 52 -4.021 11.032 8.603 410 2HB ASN 52 1HB ASN 52 -3.541 10.857 10.285 411 1HD2 ASN 52 1HD2 ASN 52 -5.222 10.788 11.860 412 2HD2 ASN 52 2HD2 ASN 52 -6.867 10.898 11.459 413 H ASP 53 H ASP 53 -2.877 12.630 11.963 414 HA ASP 53 HA ASP 53 -5.068 13.720 13.343 415 1HB ASP 53 2HB ASP 53 -2.204 13.288 14.176 416 2HB ASP 53 1HB ASP 53 -3.432 13.902 15.278 417 H ALA 54 H ALA 54 -2.057 15.087 12.184 418 HA ALA 54 HA ALA 54 -2.319 17.653 13.331 419 1HB ALA 54 1HB ALA 54 -0.701 18.294 11.481 420 2HB ALA 54 2HB ALA 54 -0.811 16.623 10.927 421 3HB ALA 54 3HB ALA 54 -0.169 16.979 12.529 422 H GLN 55 H GLN 55 -3.379 16.181 10.307 423 HA GLN 55 HA GLN 55 -4.539 18.663 9.307 424 1HB GLN 55 2HB GLN 55 -4.364 15.833 8.278 425 2HB GLN 55 1HB GLN 55 -5.282 17.093 7.440 426 1HG GLN 55 2HG GLN 55 -3.307 18.444 7.147 427 2HG GLN 55 1HG GLN 55 -2.362 17.392 8.200 428 1HE2 GLN 55 1HE2 GLN 55 -2.533 14.933 7.378 429 2HE2 GLN 55 2HE2 GLN 55 -2.252 14.739 5.716 430 H ALA 56 H ALA 56 -5.485 16.464 11.583 431 HA ALA 56 HA ALA 56 -8.210 16.008 10.846 432 1HB ALA 56 1HB ALA 56 -6.916 14.605 12.484 433 2HB ALA 56 2HB ALA 56 -8.494 15.128 13.068 434 3HB ALA 56 3HB ALA 56 -7.033 15.939 13.630 435 HA PRO 57 HA PRO 57 -10.277 19.807 11.482 436 1HB PRO 57 2HB PRO 57 -12.332 18.634 13.103 437 2HB PRO 57 1HB PRO 57 -12.381 19.036 11.383 438 1HG PRO 57 2HG PRO 57 -11.839 16.470 12.691 439 2HG PRO 57 1HG PRO 57 -12.560 16.817 11.110 440 1HD PRO 57 2HD PRO 57 -10.083 15.875 11.264 441 2HD PRO 57 1HD PRO 57 -10.495 17.151 10.095 442 H LYS 58 H LYS 58 -10.612 21.334 12.942 443 HA LYS 58 HA LYS 58 -10.103 20.870 15.796 444 1HB LYS 58 2HB LYS 58 -8.616 22.833 14.096 445 2HB LYS 58 1HB LYS 58 -8.566 22.823 15.851 446 1HG LYS 58 2HG LYS 58 -7.714 20.485 15.785 447 2HG LYS 58 1HG LYS 58 -7.708 20.559 14.024 448 1HD LYS 58 2HD LYS 58 -6.133 22.479 14.127 449 2HD LYS 58 1HD LYS 58 -6.093 22.325 15.884 450 1HE LYS 58 2HE LYS 58 -4.162 21.181 14.817 451 2HE LYS 58 1HE LYS 58 -5.192 20.047 15.689 452 1HZ LYS 58 1HZ LYS 58 -5.579 20.577 12.807 453 2HZ LYS 58 2HZ LYS 58 -6.108 19.246 13.721 454 3HZ LYS 58 3HZ LYS 58 -4.459 19.423 13.345 455 1H VAL 1 1HT VAL 1 -13.115 -8.156 6.526 456 2H VAL 1 2HT VAL 1 -12.198 -6.789 6.107 457 3H VAL 1 3HT VAL 1 -12.260 -8.126 5.062 458 HA VAL 1 HA VAL 1 -14.492 -6.291 5.738 459 HB VAL 1 HB VAL 1 -14.403 -5.724 3.344 460 1HG1 VAL 1 1HG1 VAL 1 -11.692 -5.523 4.690 461 2HG1 VAL 1 2HG1 VAL 1 -13.031 -4.394 4.883 462 3HG1 VAL 1 3HG1 VAL 1 -12.228 -4.550 3.322 463 1HG2 VAL 1 1HG2 VAL 1 -11.935 -7.490 3.200 464 2HG2 VAL 1 2HG2 VAL 1 -12.709 -6.628 1.870 465 3HG2 VAL 1 3HG2 VAL 1 -13.530 -7.987 2.635 466 H ASP 2 H ASP 2 -15.587 -7.062 3.070 467 HA ASP 2 HA ASP 2 -17.317 -9.114 3.900 468 1HB ASP 2 2HB ASP 2 -18.235 -9.021 1.659 469 2HB ASP 2 1HB ASP 2 -17.892 -7.385 2.210 470 H ASN 3 H ASN 3 -14.487 -9.149 1.805 471 HA ASN 3 HA ASN 3 -14.689 -12.016 1.407 472 1HB ASN 3 2HB ASN 3 -12.690 -10.025 0.318 473 2HB ASN 3 1HB ASN 3 -12.846 -11.709 -0.175 474 1HD2 ASN 3 1HD2 ASN 3 -13.453 -8.853 -1.467 475 2HD2 ASN 3 2HD2 ASN 3 -14.947 -9.126 -2.224 476 H LYS 4 H LYS 4 -13.118 -13.484 2.090 477 HA LYS 4 HA LYS 4 -11.791 -12.895 4.540 478 1HB LYS 4 2HB LYS 4 -10.773 -15.168 4.255 479 2HB LYS 4 1HB LYS 4 -12.530 -15.160 4.129 480 1HG LYS 4 2HG LYS 4 -12.426 -16.023 2.052 481 2HG LYS 4 1HG LYS 4 -11.424 -14.685 1.512 482 1HD LYS 4 2HD LYS 4 -10.271 -17.030 3.038 483 2HD LYS 4 1HD LYS 4 -10.424 -17.039 1.283 484 1HE LYS 4 2HE LYS 4 -9.190 -14.705 1.465 485 2HE LYS 4 1HE LYS 4 -8.657 -15.342 3.020 486 1HZ LYS 4 1HZ LYS 4 -8.122 -17.430 1.566 487 2HZ LYS 4 2HZ LYS 4 -7.030 -16.131 1.660 488 3HZ LYS 4 3HZ LYS 4 -8.055 -16.288 0.313 489 H PHE 5 H PHE 5 -11.049 -12.167 1.400 490 HA PHE 5 HA PHE 5 -8.254 -12.511 1.339 491 1HB PHE 5 2HB PHE 5 -10.215 -10.924 -0.298 492 2HB PHE 5 1HB PHE 5 -8.476 -10.828 -0.595 493 HD1 PHE 5 1HD PHE 5 -7.473 -12.424 -1.983 494 HD2 PHE 5 2HD PHE 5 -11.183 -13.350 -0.021 495 HE1 PHE 5 1HE PHE 5 -7.536 -14.610 -3.143 496 HE2 PHE 5 2HE PHE 5 -11.251 -15.536 -1.196 497 HZ PHE 5 HZ PHE 5 -9.420 -16.166 -2.746 498 H ASN 6 H ASN 6 -9.800 -10.644 3.485 499 HA ASN 6 HA ASN 6 -8.572 -8.094 3.244 500 1HB ASN 6 2HB ASN 6 -10.391 -8.872 4.928 501 2HB ASN 6 1HB ASN 6 -9.047 -9.475 5.892 502 1HD2 ASN 6 1HD2 ASN 6 -7.139 -7.373 5.381 503 2HD2 ASN 6 2HD2 ASN 6 -7.740 -5.945 6.071 504 H LYS 7 H LYS 7 -7.566 -11.087 4.835 505 HA LYS 7 HA LYS 7 -5.008 -10.220 5.716 506 1HB LYS 7 2HB LYS 7 -6.077 -12.223 6.620 507 2HB LYS 7 1HB LYS 7 -6.081 -12.975 5.027 508 1HG LYS 7 2HG LYS 7 -3.589 -12.902 5.013 509 2HG LYS 7 1HG LYS 7 -3.621 -12.228 6.645 510 1HD LYS 7 2HD LYS 7 -4.820 -14.248 7.444 511 2HD LYS 7 1HD LYS 7 -4.762 -14.918 5.814 512 1HE LYS 7 2HE LYS 7 -2.918 -15.928 6.875 513 2HE LYS 7 1HE LYS 7 -2.188 -14.583 6.000 514 1HZ LYS 7 1HZ LYS 7 -2.604 -13.297 8.167 515 2HZ LYS 7 2HZ LYS 7 -1.305 -14.391 8.113 516 3HZ LYS 7 3HZ LYS 7 -2.756 -14.826 8.884 517 H GLU 8 H GLU 8 -6.161 -11.894 2.834 518 HA GLU 8 HA GLU 8 -3.669 -12.275 1.550 519 1HB GLU 8 2HB GLU 8 -6.452 -12.021 0.344 520 2HB GLU 8 1HB GLU 8 -5.044 -12.731 -0.448 521 1HG GLU 8 2HG GLU 8 -6.469 -13.766 2.023 522 2HG GLU 8 1HG GLU 8 -6.403 -14.534 0.437 523 H ARG 9 H ARG 9 -5.982 -9.640 1.540 524 HA ARG 9 HA ARG 9 -4.956 -8.222 -0.672 525 1HB ARG 9 2HB ARG 9 -7.228 -7.879 0.158 526 2HB ARG 9 1HB ARG 9 -6.598 -7.273 1.689 527 1HG ARG 9 2HG ARG 9 -5.586 -5.366 0.591 528 2HG ARG 9 1HG ARG 9 -5.979 -6.013 -0.998 529 1HD ARG 9 2HD ARG 9 -7.610 -4.306 -0.425 530 2HD ARG 9 1HD ARG 9 -8.403 -5.877 -0.401 531 HE ARG 9 HE ARG 9 -7.362 -4.817 2.136 532 1HH1 ARG 9 1HH1 ARG 9 -10.037 -4.050 0.342 533 2HH1 ARG 9 2HH1 ARG 9 -11.216 -4.637 1.466 534 1HH2 ARG 9 1HH2 ARG 9 -8.885 -6.223 3.480 535 2HH2 ARG 9 2HH2 ARG 9 -10.562 -5.872 3.239 536 H VAL 10 H VAL 10 -4.364 -8.113 2.821 537 HA VAL 10 HA VAL 10 -2.858 -5.772 2.954 538 HB VAL 10 HB VAL 10 -2.371 -8.245 4.589 539 1HG1 VAL 10 1HG1 VAL 10 -0.658 -6.841 5.150 540 2HG1 VAL 10 2HG1 VAL 10 -1.887 -6.314 6.303 541 3HG1 VAL 10 3HG1 VAL 10 -1.590 -5.383 4.832 542 1HG2 VAL 10 1HG2 VAL 10 -4.741 -6.597 4.421 543 2HG2 VAL 10 2HG2 VAL 10 -4.004 -6.428 6.024 544 3HG2 VAL 10 3HG2 VAL 10 -4.450 -8.022 5.415 545 H ILE 11 H ILE 11 -1.917 -9.042 2.095 546 HA ILE 11 HA ILE 11 0.881 -8.490 1.947 547 HB ILE 11 HB ILE 11 -0.678 -10.709 0.598 548 1HG1 ILE 11 2HG1 ILE 11 0.214 -10.209 3.418 549 2HG1 ILE 11 1HG1 ILE 11 -1.208 -11.062 2.829 550 1HG2 ILE 11 1HG2 ILE 11 1.466 -11.860 0.537 551 2HG2 ILE 11 2HG2 ILE 11 2.237 -10.574 1.465 552 3HG2 ILE 11 3HG2 ILE 11 1.696 -10.269 -0.185 553 1HD1 ILE 11 1HD1 ILE 11 0.521 -12.843 1.979 554 2HD1 ILE 11 2HD1 ILE 11 0.095 -12.804 3.689 555 3HD1 ILE 11 3HD1 ILE 11 1.607 -12.076 3.141 556 H ALA 12 H ALA 12 -1.809 -8.425 -0.382 557 HA ALA 12 HA ALA 12 -0.188 -7.954 -2.655 558 1HB ALA 12 1HB ALA 12 -2.452 -8.723 -3.008 559 2HB ALA 12 2HB ALA 12 -2.319 -7.094 -3.682 560 3HB ALA 12 3HB ALA 12 -3.098 -7.347 -2.114 561 H ILE 13 H ILE 13 -1.821 -5.845 -0.355 562 HA ILE 13 HA ILE 13 -1.215 -3.397 -1.621 563 HB ILE 13 HB ILE 13 -1.294 -4.001 1.364 564 1HG1 ILE 13 2HG1 ILE 13 -3.541 -2.870 -0.295 565 2HG1 ILE 13 1HG1 ILE 13 -3.395 -4.588 0.005 566 1HG2 ILE 13 1HG2 ILE 13 -1.523 -1.441 -0.227 567 2HG2 ILE 13 2HG2 ILE 13 -0.346 -1.828 1.021 568 3HG2 ILE 13 3HG2 ILE 13 -2.043 -1.580 1.454 569 1HD1 ILE 13 1HD1 ILE 13 -3.289 -4.043 2.453 570 2HD1 ILE 13 2HD1 ILE 13 -4.834 -3.665 1.691 571 3HD1 ILE 13 3HD1 ILE 13 -3.661 -2.391 2.012 572 H GLY 14 H GLY 14 0.520 -5.632 0.421 573 1HA GLY 14 2HA GLY 14 2.910 -4.124 0.790 574 2HA GLY 14 1HA GLY 14 2.721 -5.859 1.010 575 H GLU 15 H GLU 15 1.904 -6.526 -1.643 576 HA GLU 15 HA GLU 15 4.421 -6.871 -2.858 577 1HB GLU 15 2HB GLU 15 2.149 -8.165 -3.143 578 2HB GLU 15 1HB GLU 15 1.904 -7.021 -4.453 579 1HG GLU 15 2HG GLU 15 3.279 -8.205 -5.807 580 2HG GLU 15 1HG GLU 15 4.579 -8.059 -4.616 581 H ILE 16 H ILE 16 1.692 -4.678 -3.538 582 HA ILE 16 HA ILE 16 2.802 -3.520 -5.873 583 HB ILE 16 HB ILE 16 1.451 -1.711 -3.860 584 1HG1 ILE 16 2HG1 ILE 16 0.120 -3.815 -3.867 585 2HG1 ILE 16 1HG1 ILE 16 -0.760 -2.449 -4.507 586 1HG2 ILE 16 1HG2 ILE 16 1.203 -1.974 -6.870 587 2HG2 ILE 16 2HG2 ILE 16 2.221 -0.817 -6.023 588 3HG2 ILE 16 3HG2 ILE 16 0.473 -0.727 -5.865 589 1HD1 ILE 16 1HD1 ILE 16 -0.318 -3.164 -6.771 590 2HD1 ILE 16 2HD1 ILE 16 -1.052 -4.494 -5.864 591 3HD1 ILE 16 3HD1 ILE 16 0.683 -4.501 -6.184 592 H MET 17 H MET 17 3.075 -2.555 -2.517 593 HA MET 17 HA MET 17 4.823 -0.366 -2.764 594 1HB MET 17 2HB MET 17 4.490 -2.245 -0.443 595 2HB MET 17 1HB MET 17 5.070 -0.574 -0.397 596 1HG MET 17 2HG MET 17 2.354 -1.324 -1.478 597 2HG MET 17 1HG MET 17 2.605 -0.884 0.202 598 1HE MET 17 1HE MET 17 4.786 1.937 -0.244 599 2HE MET 17 2HE MET 17 4.003 0.754 0.822 600 3HE MET 17 3HE MET 17 3.281 2.352 0.588 601 H ARG 18 H ARG 18 5.463 -3.848 -2.502 602 HA ARG 18 HA ARG 18 8.249 -3.668 -2.028 603 1HB ARG 18 2HB ARG 18 6.602 -5.815 -3.298 604 2HB ARG 18 1HB ARG 18 8.309 -5.990 -2.958 605 1HG ARG 18 2HG ARG 18 6.992 -5.008 -0.602 606 2HG ARG 18 1HG ARG 18 6.120 -6.411 -1.201 607 1HD ARG 18 2HD ARG 18 9.116 -6.360 -0.773 608 2HD ARG 18 1HD ARG 18 7.968 -6.958 0.422 609 HE ARG 18 HE ARG 18 8.879 -8.369 -1.885 610 1HH1 ARG 18 1HH1 ARG 18 6.061 -8.194 -2.684 611 2HH1 ARG 18 2HH1 ARG 18 5.316 -9.516 -1.849 612 1HH2 ARG 18 1HH2 ARG 18 7.924 -9.904 0.400 613 2HH2 ARG 18 2HH2 ARG 18 6.371 -10.483 -0.102 614 H LEU 19 H LEU 19 6.286 -3.711 -4.951 615 HA LEU 19 HA LEU 19 8.333 -4.014 -6.859 616 1HB LEU 19 2HB LEU 19 5.742 -2.496 -7.103 617 2HB LEU 19 1HB LEU 19 6.755 -2.965 -8.434 618 HG LEU 19 HG LEU 19 5.490 -4.916 -6.510 619 1HD1 LEU 19 1HD1 LEU 19 3.964 -5.403 -8.436 620 2HD1 LEU 19 2HD1 LEU 19 4.628 -3.991 -9.256 621 3HD1 LEU 19 3HD1 LEU 19 3.734 -3.802 -7.747 622 1HD2 LEU 19 1HD2 LEU 19 6.205 -5.773 -9.203 623 2HD2 LEU 19 2HD2 LEU 19 6.537 -6.534 -7.650 624 3HD2 LEU 19 3HD2 LEU 19 7.588 -5.257 -8.248 625 HA PRO 20 HA PRO 20 10.121 0.032 -6.069 626 1HB PRO 20 2HB PRO 20 12.418 -0.788 -7.603 627 2HB PRO 20 1HB PRO 20 12.274 -0.609 -5.852 628 1HG PRO 20 2HG PRO 20 12.643 -2.980 -7.156 629 2HG PRO 20 1HG PRO 20 11.933 -2.814 -5.541 630 1HD PRO 20 2HD PRO 20 10.562 -3.215 -8.173 631 2HD PRO 20 1HD PRO 20 10.175 -3.891 -6.573 632 H ASN 21 H ASN 21 9.317 -1.419 -9.104 633 HA ASN 21 HA ASN 21 10.236 0.870 -10.670 634 1HB ASN 21 2HB ASN 21 8.750 -1.586 -11.584 635 2HB ASN 21 1HB ASN 21 9.529 -0.391 -12.605 636 1HD2 ASN 21 1HD2 ASN 21 10.105 -3.369 -12.142 637 2HD2 ASN 21 2HD2 ASN 21 11.763 -3.412 -11.779 638 H LEU 22 H LEU 22 7.292 -0.157 -9.102 639 HA LEU 22 HA LEU 22 5.495 1.190 -10.869 640 1HB LEU 22 2HB LEU 22 5.061 0.521 -7.962 641 2HB LEU 22 1HB LEU 22 3.824 1.018 -9.092 642 HG LEU 22 HG LEU 22 5.424 -1.537 -9.092 643 1HD1 LEU 22 1HD1 LEU 22 2.973 -2.393 -9.297 644 2HD1 LEU 22 2HD1 LEU 22 2.523 -0.770 -8.780 645 3HD1 LEU 22 3HD1 LEU 22 3.505 -1.783 -7.728 646 1HD2 LEU 22 1HD2 LEU 22 5.402 -0.967 -11.353 647 2HD2 LEU 22 2HD2 LEU 22 3.813 -0.198 -11.224 648 3HD2 LEU 22 3HD2 LEU 22 3.951 -1.947 -11.168 649 H ASN 23 H ASN 23 4.283 3.026 -10.493 650 HA ASN 23 HA ASN 23 5.796 5.282 -9.486 651 1HB ASN 23 2HB ASN 23 4.627 5.366 -11.650 652 2HB ASN 23 1HB ASN 23 3.121 4.982 -10.882 653 1HD2 ASN 23 1HD2 ASN 23 4.707 7.463 -12.181 654 2HD2 ASN 23 2HD2 ASN 23 4.033 8.745 -11.295 655 H SER 24 H SER 24 4.833 6.797 -7.912 656 HA SER 24 HA SER 24 3.749 5.575 -5.608 657 1HB SER 24 2HB SER 24 3.304 8.484 -6.276 658 2HB SER 24 1HB SER 24 3.593 7.748 -4.702 659 HG SER 24 HG SER 24 5.700 7.554 -5.169 660 H LEU 25 H LEU 25 2.306 7.396 -8.229 661 HA LEU 25 HA LEU 25 -0.396 7.262 -7.373 662 1HB LEU 25 2HB LEU 25 1.081 8.274 -9.686 663 2HB LEU 25 1HB LEU 25 -0.479 7.631 -10.100 664 HG LEU 25 HG LEU 25 -0.002 9.620 -7.926 665 1HD1 LEU 25 1HD1 LEU 25 0.506 10.443 -10.272 666 2HD1 LEU 25 2HD1 LEU 25 -0.775 11.324 -9.433 667 3HD1 LEU 25 3HD1 LEU 25 -1.188 10.124 -10.658 668 1HD2 LEU 25 1HD2 LEU 25 -2.188 7.939 -8.717 669 2HD2 LEU 25 2HD2 LEU 25 -2.651 9.635 -8.889 670 3HD2 LEU 25 3HD2 LEU 25 -2.082 9.025 -7.333 671 H GLN 26 H GLN 26 1.608 5.311 -9.546 672 HA GLN 26 HA GLN 26 -0.468 3.678 -10.566 673 1HB GLN 26 2HB GLN 26 2.493 3.373 -10.298 674 2HB GLN 26 1HB GLN 26 1.530 1.968 -10.725 675 1HG GLN 26 2HG GLN 26 0.652 3.106 -12.694 676 2HG GLN 26 1HG GLN 26 1.485 4.597 -12.242 677 1HE2 GLN 26 1HE2 GLN 26 3.498 2.067 -11.351 678 2HE2 GLN 26 2HE2 GLN 26 4.448 1.996 -12.753 679 H VAL 27 H VAL 27 1.617 3.509 -7.771 680 HA VAL 27 HA VAL 27 0.826 0.970 -6.850 681 HB VAL 27 HB VAL 27 2.090 3.338 -5.486 682 1HG1 VAL 27 1HG1 VAL 27 1.180 2.295 -3.611 683 2HG1 VAL 27 2HG1 VAL 27 2.685 1.397 -3.781 684 3HG1 VAL 27 3HG1 VAL 27 1.175 0.703 -4.365 685 1HG2 VAL 27 1HG2 VAL 27 3.463 0.745 -5.799 686 2HG2 VAL 27 2HG2 VAL 27 4.048 2.375 -6.135 687 3HG2 VAL 27 3HG2 VAL 27 3.040 1.536 -7.315 688 H VAL 28 H VAL 28 -0.229 4.232 -6.119 689 HA VAL 28 HA VAL 28 -2.239 3.538 -4.281 690 HB VAL 28 HB VAL 28 -2.066 5.904 -6.172 691 1HG1 VAL 28 1HG1 VAL 28 -4.017 6.617 -5.298 692 2HG1 VAL 28 2HG1 VAL 28 -3.471 6.289 -3.652 693 3HG1 VAL 28 3HG1 VAL 28 -4.200 5.004 -4.613 694 1HG2 VAL 28 1HG2 VAL 28 -0.544 6.804 -4.752 695 2HG2 VAL 28 2HG2 VAL 28 -0.411 5.222 -3.983 696 3HG2 VAL 28 3HG2 VAL 28 -1.537 6.418 -3.344 697 H ALA 29 H ALA 29 -2.048 3.616 -7.792 698 HA ALA 29 HA ALA 29 -4.775 3.410 -8.443 699 1HB ALA 29 1HB ALA 29 -4.013 3.178 -10.579 700 2HB ALA 29 2HB ALA 29 -2.893 1.882 -10.147 701 3HB ALA 29 3HB ALA 29 -2.443 3.567 -9.879 702 H PHE 30 H PHE 30 -2.280 0.958 -7.787 703 HA PHE 30 HA PHE 30 -4.021 -1.233 -8.137 704 1HB PHE 30 2HB PHE 30 -1.271 -0.933 -6.872 705 2HB PHE 30 1HB PHE 30 -2.074 -2.472 -7.197 706 HD1 PHE 30 1HD PHE 30 -3.301 -2.227 -9.818 707 HD2 PHE 30 2HD PHE 30 0.452 -0.579 -8.452 708 HE1 PHE 30 1HE PHE 30 -2.510 -2.046 -12.130 709 HE2 PHE 30 2HE PHE 30 1.213 -0.433 -10.773 710 HZ PHE 30 HZ PHE 30 -0.259 -1.169 -12.623 711 H ILE 31 H ILE 31 -2.743 0.519 -5.282 712 HA ILE 31 HA ILE 31 -3.932 -1.096 -3.299 713 HB ILE 31 HB ILE 31 -3.373 1.885 -3.274 714 1HG1 ILE 31 2HG1 ILE 31 -1.758 -0.345 -2.007 715 2HG1 ILE 31 1HG1 ILE 31 -1.412 0.265 -3.621 716 1HG2 ILE 31 1HG2 ILE 31 -4.023 -0.046 -1.030 717 2HG2 ILE 31 2HG2 ILE 31 -4.951 1.375 -1.505 718 3HG2 ILE 31 3HG2 ILE 31 -3.357 1.566 -0.773 719 1HD1 ILE 31 1HD1 ILE 31 -1.501 1.938 -1.090 720 2HD1 ILE 31 2HD1 ILE 31 -1.153 2.541 -2.716 721 3HD1 ILE 31 3HD1 ILE 31 -0.025 1.428 -1.926 722 H ASN 32 H ASN 32 -5.118 1.753 -5.005 723 HA ASN 32 HA ASN 32 -7.626 1.957 -3.755 724 1HB ASN 32 2HB ASN 32 -6.534 3.691 -5.205 725 2HB ASN 32 1HB ASN 32 -6.929 2.700 -6.604 726 1HD2 ASN 32 1HD2 ASN 32 -8.238 4.582 -7.298 727 2HD2 ASN 32 2HD2 ASN 32 -9.798 4.798 -6.663 728 H SER 33 H SER 33 -6.431 -0.104 -6.370 729 HA SER 33 HA SER 33 -9.051 -0.973 -7.112 730 1HB SER 33 2HB SER 33 -6.290 -1.611 -8.014 731 2HB SER 33 1HB SER 33 -7.620 -2.693 -8.437 732 HG SER 33 HG SER 33 -8.664 -0.552 -9.043 733 H LEU 34 H LEU 34 -6.539 -1.919 -4.872 734 HA LEU 34 HA LEU 34 -7.465 -4.577 -4.312 735 1HB LEU 34 2HB LEU 34 -6.171 -2.596 -2.397 736 2HB LEU 34 1HB LEU 34 -6.304 -4.321 -2.142 737 HG LEU 34 HG LEU 34 -4.699 -2.975 -4.321 738 1HD1 LEU 34 1HD1 LEU 34 -2.765 -3.979 -3.169 739 2HD1 LEU 34 2HD1 LEU 34 -3.842 -4.525 -1.888 740 3HD1 LEU 34 3HD1 LEU 34 -3.600 -2.797 -2.169 741 1HD2 LEU 34 1HD2 LEU 34 -3.889 -5.291 -4.728 742 2HD2 LEU 34 2HD2 LEU 34 -5.584 -5.034 -5.101 743 3HD2 LEU 34 3HD2 LEU 34 -5.136 -5.843 -3.621 744 H ARG 35 H ARG 35 -8.091 -1.355 -3.171 745 HA ARG 35 HA ARG 35 -10.128 -1.798 -1.236 746 1HB ARG 35 2HB ARG 35 -8.969 0.439 -2.690 747 2HB ARG 35 1HB ARG 35 -10.710 0.617 -2.595 748 1HG ARG 35 2HG ARG 35 -10.535 1.316 -0.472 749 2HG ARG 35 1HG ARG 35 -9.768 -0.197 -0.010 750 1HD ARG 35 2HD ARG 35 -7.679 1.046 -1.230 751 2HD ARG 35 1HD ARG 35 -8.561 2.442 -0.621 752 HE ARG 35 HE ARG 35 -7.311 0.334 0.984 753 1HH1 ARG 35 1HH2 ARG 35 -9.900 2.501 1.231 754 2HH1 ARG 35 2HH2 ARG 35 -9.363 3.220 2.712 755 1HH2 ARG 35 1HH1 ARG 35 -6.327 1.554 2.712 756 2HH2 ARG 35 2HH1 ARG 35 -7.324 2.704 3.532 757 H ASP 36 H ASP 36 -10.273 -1.068 -4.690 758 HA ASP 36 HA ASP 36 -13.067 -1.070 -5.005 759 1HB ASP 36 2HB ASP 36 -10.843 -1.695 -6.961 760 2HB ASP 36 1HB ASP 36 -12.521 -1.430 -7.423 761 H ASP 37 H ASP 37 -10.678 -3.660 -5.196 762 HA ASP 37 HA ASP 37 -12.813 -5.648 -4.973 763 1HB ASP 37 2HB ASP 37 -10.805 -6.414 -6.990 764 2HB ASP 37 1HB ASP 37 -12.547 -6.647 -6.990 765 HA PRO 38 HA PRO 38 -9.382 -6.788 -2.278 766 1HB PRO 38 2HB PRO 38 -11.268 -8.334 -0.774 767 2HB PRO 38 1HB PRO 38 -10.434 -6.855 -0.302 768 1HG PRO 38 2HG PRO 38 -13.147 -7.118 -0.820 769 2HG PRO 38 1HG PRO 38 -12.244 -5.603 -0.703 770 1HD PRO 38 2HD PRO 38 -13.261 -6.985 -3.105 771 2HD PRO 38 1HD PRO 38 -12.818 -5.278 -2.880 772 H SER 39 H SER 39 -11.911 -8.830 -3.643 773 HA SER 39 HA SER 39 -10.628 -11.337 -3.270 774 1HB SER 39 2HB SER 39 -12.624 -10.524 -5.404 775 2HB SER 39 1HB SER 39 -12.216 -12.172 -4.934 776 HG SER 39 HG SER 39 -13.114 -11.803 -2.937 777 H GLN 40 H GLN 40 -10.621 -8.885 -5.798 778 HA GLN 40 HA GLN 40 -8.679 -10.400 -7.339 779 1HB GLN 40 2HB GLN 40 -9.426 -7.789 -8.406 780 2HB GLN 40 1HB GLN 40 -9.372 -9.351 -9.181 781 1HG GLN 40 2HG GLN 40 -11.524 -9.989 -8.246 782 2HG GLN 40 1HG GLN 40 -11.599 -8.496 -7.318 783 1HE2 GLN 40 1HE2 GLN 40 -10.731 -6.634 -9.266 784 2HE2 GLN 40 2HE2 GLN 40 -11.865 -6.590 -10.528 785 H SER 41 H SER 41 -8.130 -9.002 -4.690 786 HA SER 41 HA SER 41 -6.566 -6.722 -5.114 787 1HB SER 41 2HB SER 41 -6.414 -9.006 -3.135 788 2HB SER 41 1HB SER 41 -5.237 -7.703 -3.095 789 HG SER 41 HG SER 41 -7.661 -7.729 -2.077 790 H ALA 42 H ALA 42 -5.989 -10.078 -5.681 791 HA ALA 42 HA ALA 42 -3.180 -9.955 -6.192 792 1HB ALA 42 1HB ALA 42 -4.584 -11.980 -5.530 793 2HB ALA 42 2HB ALA 42 -3.431 -12.228 -6.845 794 3HB ALA 42 3HB ALA 42 -5.148 -12.005 -7.203 795 H ASN 43 H ASN 43 -6.075 -9.392 -8.043 796 HA ASN 43 HA ASN 43 -5.090 -9.821 -10.644 797 1HB ASN 43 2HB ASN 43 -7.442 -9.793 -9.898 798 2HB ASN 43 1HB ASN 43 -7.316 -8.036 -9.795 799 1HD2 ASN 43 1HD2 ASN 43 -6.900 -10.735 -12.146 800 2HD2 ASN 43 2HD2 ASN 43 -7.309 -9.806 -13.507 801 H LEU 44 H LEU 44 -5.783 -6.785 -8.923 802 HA LEU 44 HA LEU 44 -4.564 -5.267 -10.958 803 1HB LEU 44 2HB LEU 44 -5.053 -3.291 -9.645 804 2HB LEU 44 1HB LEU 44 -6.448 -4.343 -9.668 805 HG LEU 44 HG LEU 44 -5.987 -3.307 -7.474 806 1HD1 LEU 44 1HD1 LEU 44 -5.715 -6.147 -6.954 807 2HD1 LEU 44 2HD1 LEU 44 -7.002 -5.685 -8.060 808 3HD1 LEU 44 3HD1 LEU 44 -6.940 -4.982 -6.448 809 1HD2 LEU 44 1HD2 LEU 44 -3.847 -5.193 -6.888 810 2HD2 LEU 44 2HD2 LEU 44 -4.121 -3.565 -6.299 811 3HD2 LEU 44 3HD2 LEU 44 -3.414 -3.800 -7.883 812 H LEU 45 H LEU 45 -3.623 -6.838 -8.070 813 HA LEU 45 HA LEU 45 -1.104 -5.560 -7.718 814 1HB LEU 45 2HB LEU 45 -2.004 -6.898 -5.925 815 2HB LEU 45 1HB LEU 45 -2.148 -8.300 -6.982 816 HG LEU 45 HG LEU 45 0.523 -6.983 -6.547 817 1HD1 LEU 45 1HD1 LEU 45 -0.060 -7.365 -4.362 818 2HD1 LEU 45 2HD1 LEU 45 0.755 -8.871 -4.781 819 3HD1 LEU 45 3HD1 LEU 45 -1.005 -8.805 -4.724 820 1HD2 LEU 45 1HD2 LEU 45 0.812 -8.582 -8.173 821 2HD2 LEU 45 2HD2 LEU 45 -0.531 -9.572 -7.611 822 3HD2 LEU 45 3HD2 LEU 45 1.011 -9.608 -6.759 823 H ALA 46 H ALA 46 -2.462 -8.209 -9.505 824 HA ALA 46 HA ALA 46 -0.110 -9.291 -10.658 825 1HB ALA 46 1HB ALA 46 -2.216 -9.451 -12.572 826 2HB ALA 46 2HB ALA 46 -2.989 -9.579 -10.993 827 3HB ALA 46 3HB ALA 46 -1.708 -10.706 -11.444 828 H GLU 47 H GLU 47 -2.347 -6.731 -11.528 829 HA GLU 47 HA GLU 47 -1.165 -5.889 -13.936 830 1HB GLU 47 2HB GLU 47 -2.751 -4.306 -11.886 831 2HB GLU 47 1HB GLU 47 -2.319 -3.727 -13.488 832 1HG GLU 47 2HG GLU 47 -4.140 -6.009 -12.759 833 2HG GLU 47 1HG GLU 47 -4.573 -4.509 -13.549 834 H ALA 48 H ALA 48 -0.506 -5.314 -10.541 835 HA ALA 48 HA ALA 48 1.225 -3.077 -10.851 836 1HB ALA 48 1HB ALA 48 1.381 -3.229 -8.572 837 2HB ALA 48 2HB ALA 48 1.474 -4.993 -8.595 838 3HB ALA 48 3HB ALA 48 -0.080 -4.182 -8.810 839 H LYS 49 H LYS 49 1.771 -6.512 -10.232 840 HA LYS 49 HA LYS 49 4.581 -6.386 -10.225 841 1HB LYS 49 2HB LYS 49 2.587 -8.582 -10.670 842 2HB LYS 49 1HB LYS 49 4.320 -8.895 -10.736 843 1HG LYS 49 2HG LYS 49 4.428 -7.780 -8.433 844 2HG LYS 49 1HG LYS 49 2.673 -7.916 -8.408 845 1HD LYS 49 2HD LYS 49 4.640 -10.205 -8.729 846 2HD LYS 49 1HD LYS 49 3.689 -9.854 -7.296 847 1HE LYS 49 2HE LYS 49 1.752 -10.013 -9.268 848 2HE LYS 49 1HE LYS 49 2.909 -11.244 -9.761 849 1HZ LYS 49 1HZ LYS 49 1.003 -11.631 -7.934 850 2HZ LYS 49 2HZ LYS 49 2.301 -11.189 -6.931 851 3HZ LYS 49 3HZ LYS 49 2.452 -12.511 -7.989 852 H LYS 50 H LYS 50 2.163 -6.683 -12.697 853 HA LYS 50 HA LYS 50 3.930 -7.178 -14.897 854 1HB LYS 50 2HB LYS 50 1.087 -6.249 -14.668 855 2HB LYS 50 1HB LYS 50 1.921 -6.302 -16.220 856 1HG LYS 50 2HG LYS 50 2.493 -8.738 -15.692 857 2HG LYS 50 1HG LYS 50 1.347 -8.630 -14.363 858 1HD LYS 50 2HD LYS 50 0.665 -8.023 -17.255 859 2HD LYS 50 1HD LYS 50 0.351 -9.567 -16.466 860 1HE LYS 50 2HE LYS 50 -0.986 -8.272 -14.725 861 2HE LYS 50 1HE LYS 50 -0.847 -6.871 -15.787 862 1HZ LYS 50 1HZ LYS 50 -2.049 -9.490 -16.496 863 2HZ LYS 50 2HZ LYS 50 -1.866 -8.178 -17.559 864 3HZ LYS 50 3HZ LYS 50 -2.892 -8.045 -16.210 865 H LEU 51 H LEU 51 2.463 -4.305 -13.426 866 HA LEU 51 HA LEU 51 3.435 -2.487 -15.399 867 1HB LEU 51 2HB LEU 51 2.007 -2.304 -12.854 868 2HB LEU 51 1HB LEU 51 3.198 -1.023 -13.042 869 HG LEU 51 HG LEU 51 0.999 -0.398 -13.979 870 1HD1 LEU 51 1HD1 LEU 51 2.453 0.915 -15.106 871 2HD1 LEU 51 2HD1 LEU 51 2.164 -0.172 -16.469 872 3HD1 LEU 51 3HD1 LEU 51 3.567 -0.424 -15.425 873 1HD2 LEU 51 1HD2 LEU 51 1.461 -2.943 -15.503 874 2HD2 LEU 51 2HD2 LEU 51 0.657 -1.616 -16.344 875 3HD2 LEU 51 3HD2 LEU 51 -0.038 -2.270 -14.862 876 H ASN 52 H ASN 52 4.586 -3.632 -12.334 877 HA ASN 52 HA ASN 52 6.909 -2.015 -12.159 878 1HB ASN 52 2HB ASN 52 6.132 -3.265 -10.237 879 2HB ASN 52 1HB ASN 52 6.330 -4.788 -11.089 880 1HD2 ASN 52 1HD2 ASN 52 8.568 -5.440 -11.613 881 2HD2 ASN 52 2HD2 ASN 52 9.863 -4.855 -10.688 882 H ASP 53 H ASP 53 6.068 -5.061 -13.621 883 HA ASP 53 HA ASP 53 8.683 -5.695 -14.614 884 1HB ASP 53 2HB ASP 53 6.781 -7.341 -14.420 885 2HB ASP 53 1HB ASP 53 6.038 -6.547 -15.808 886 H ALA 54 H ALA 54 5.949 -3.863 -15.784 887 HA ALA 54 HA ALA 54 6.760 -3.453 -18.454 888 1HB ALA 54 1HB ALA 54 5.149 -1.460 -16.896 889 2HB ALA 54 2HB ALA 54 4.478 -3.044 -17.286 890 3HB ALA 54 3HB ALA 54 4.979 -1.954 -18.580 891 H GLN 55 H GLN 55 7.345 -1.698 -15.452 892 HA GLN 55 HA GLN 55 8.926 0.349 -16.804 893 1HB GLN 55 2HB GLN 55 8.094 -0.067 -13.975 894 2HB GLN 55 1HB GLN 55 9.069 1.289 -14.505 895 1HG GLN 55 2HG GLN 55 7.313 2.247 -15.689 896 2HG GLN 55 1HG GLN 55 6.498 0.700 -15.923 897 1HE2 GLN 55 1HE2 GLN 55 5.930 -0.356 -13.616 898 2HE2 GLN 55 2HE2 GLN 55 5.152 0.707 -12.548 899 H ALA 56 H ALA 56 9.419 -2.703 -15.491 900 HA ALA 56 HA ALA 56 11.951 -2.346 -14.215 901 1HB ALA 56 1HB ALA 56 10.666 -4.359 -13.763 902 2HB ALA 56 2HB ALA 56 12.182 -4.817 -14.533 903 3HB ALA 56 3HB ALA 56 10.691 -4.799 -15.468 904 HA PRO 57 HA PRO 57 14.628 -2.283 -17.664 905 1HB PRO 57 2HB PRO 57 16.726 -3.772 -16.365 906 2HB PRO 57 1HB PRO 57 16.548 -2.016 -16.489 907 1HG PRO 57 2HG PRO 57 16.373 -3.420 -14.155 908 2HG PRO 57 1HG PRO 57 15.632 -1.835 -14.435 909 1HD PRO 57 2HD PRO 57 14.373 -4.556 -14.590 910 2HD PRO 57 1HD PRO 57 13.734 -3.061 -13.863 911 H LYS 58 H LYS 58 15.912 -3.602 -19.158 912 HA LYS 58 HA LYS 58 15.236 -6.452 -19.221 913 1HB LYS 58 2HB LYS 58 14.572 -4.360 -21.212 914 2HB LYS 58 1HB LYS 58 14.943 -5.971 -21.782 915 1HG LYS 58 2HG LYS 58 12.712 -6.342 -21.426 916 2HG LYS 58 1HG LYS 58 13.211 -6.552 -19.749 917 1HD LYS 58 2HD LYS 58 12.883 -3.996 -19.519 918 2HD LYS 58 1HD LYS 58 12.026 -4.093 -21.054 919 1HE LYS 58 2HE LYS 58 10.271 -4.362 -19.544 920 2HE LYS 58 1HE LYS 58 10.704 -6.042 -19.859 921 1HZ LYS 58 1HZ LYS 58 12.353 -5.537 -17.870 922 2HZ LYS 58 2HZ LYS 58 10.760 -6.073 -17.611 923 3HZ LYS 58 3HZ LYS 58 11.137 -4.422 -17.472 Start of MODEL 3 1 1H VAL 1 1HT VAL 1 6.058 -18.067 3.010 2 2H VAL 1 2HT VAL 1 5.894 -19.067 4.373 3 3H VAL 1 3HT VAL 1 7.368 -19.009 3.531 4 HA VAL 1 HA VAL 1 7.204 -17.729 5.705 5 HB VAL 1 HB VAL 1 9.086 -17.471 4.207 6 1HG1 VAL 1 1HG1 VAL 1 7.240 -15.718 2.559 7 2HG1 VAL 1 2HG1 VAL 1 7.969 -17.245 2.073 8 3HG1 VAL 1 3HG1 VAL 1 8.981 -15.823 2.310 9 1HG2 VAL 1 1HG2 VAL 1 8.805 -15.753 5.989 10 2HG2 VAL 1 2HG2 VAL 1 7.956 -14.723 4.839 11 3HG2 VAL 1 3HG2 VAL 1 9.654 -15.118 4.580 12 H ASP 2 H ASP 2 6.164 -16.152 6.797 13 HA ASP 2 HA ASP 2 3.659 -15.191 5.899 14 1HB ASP 2 2HB ASP 2 4.195 -15.547 8.276 15 2HB ASP 2 1HB ASP 2 5.353 -14.220 8.214 16 H ASN 3 H ASN 3 6.859 -13.669 6.042 17 HA ASN 3 HA ASN 3 7.671 -11.697 5.184 18 1HB ASN 3 2HB ASN 3 5.186 -11.675 3.434 19 2HB ASN 3 1HB ASN 3 6.699 -10.823 3.148 20 1HD2 ASN 3 1HD2 ASN 3 8.689 -12.583 3.339 21 2HD2 ASN 3 2HD2 ASN 3 8.447 -13.950 2.364 22 H LYS 4 H LYS 4 6.640 -11.387 7.551 23 HA LYS 4 HA LYS 4 4.387 -9.852 8.010 24 1HB LYS 4 2HB LYS 4 5.812 -10.927 9.752 25 2HB LYS 4 1HB LYS 4 6.996 -9.639 9.527 26 1HG LYS 4 2HG LYS 4 5.271 -7.958 10.124 27 2HG LYS 4 1HG LYS 4 4.103 -9.256 10.371 28 1HD LYS 4 2HD LYS 4 5.612 -10.219 12.122 29 2HD LYS 4 1HD LYS 4 6.674 -8.823 11.925 30 1HE LYS 4 2HE LYS 4 4.795 -7.322 12.523 31 2HE LYS 4 1HE LYS 4 3.759 -8.731 12.761 32 1HZ LYS 4 1HZ LYS 4 5.398 -9.516 14.428 33 2HZ LYS 4 2HZ LYS 4 4.618 -8.071 14.865 34 3HZ LYS 4 3HZ LYS 4 6.212 -8.036 14.279 35 H PHE 5 H PHE 5 7.669 -8.676 7.206 36 HA PHE 5 HA PHE 5 7.058 -5.945 7.503 37 1HB PHE 5 2HB PHE 5 9.131 -5.470 6.509 38 2HB PHE 5 1HB PHE 5 9.381 -7.011 7.322 39 HD1 PHE 5 1HD PHE 5 9.206 -9.163 5.957 40 HD2 PHE 5 2HD PHE 5 9.416 -5.261 4.138 41 HE1 PHE 5 1HE PHE 5 9.873 -10.195 3.805 42 HE2 PHE 5 2HE PHE 5 10.088 -6.305 2.007 43 HZ PHE 5 HZ PHE 5 10.315 -8.766 1.830 44 H ASN 6 H ASN 6 6.845 -8.159 4.739 45 HA ASN 6 HA ASN 6 6.089 -6.215 2.793 46 1HB ASN 6 2HB ASN 6 6.923 -8.541 2.315 47 2HB ASN 6 1HB ASN 6 5.379 -9.152 2.897 48 1HD2 ASN 6 1HD2 ASN 6 3.940 -9.559 1.238 49 2HD2 ASN 6 2HD2 ASN 6 3.890 -8.722 -0.245 50 H LYS 7 H LYS 7 4.366 -8.424 4.915 51 HA LYS 7 HA LYS 7 1.736 -7.887 4.120 52 1HB LYS 7 2HB LYS 7 2.705 -9.748 5.655 53 2HB LYS 7 1HB LYS 7 2.577 -8.560 6.949 54 1HG LYS 7 2HG LYS 7 0.217 -8.420 6.735 55 2HG LYS 7 1HG LYS 7 0.233 -9.222 5.164 56 1HD LYS 7 2HD LYS 7 1.413 -10.802 7.374 57 2HD LYS 7 1HD LYS 7 -0.317 -10.497 7.518 58 1HE LYS 7 2HE LYS 7 -0.698 -11.413 5.272 59 2HE LYS 7 1HE LYS 7 1.040 -11.654 5.067 60 1HZ LYS 7 1HZ LYS 7 0.988 -13.127 7.021 61 2HZ LYS 7 2HZ LYS 7 0.038 -13.704 5.736 62 3HZ LYS 7 3HZ LYS 7 -0.700 -12.969 7.078 63 H GLU 8 H GLU 8 3.870 -6.474 6.553 64 HA GLU 8 HA GLU 8 1.966 -4.553 7.440 65 1HB GLU 8 2HB GLU 8 3.695 -5.292 8.951 66 2HB GLU 8 1HB GLU 8 4.959 -4.731 7.854 67 1HG GLU 8 2HG GLU 8 3.986 -2.388 8.122 68 2HG GLU 8 1HG GLU 8 2.956 -3.038 9.393 69 H LEU 9 H LEU 9 4.606 -4.532 5.161 70 HA LEU 9 HA LEU 9 4.733 -1.757 4.581 71 1HB LEU 9 2HB LEU 9 6.463 -3.236 3.760 72 2HB LEU 9 1HB LEU 9 5.286 -4.209 2.881 73 HG LEU 9 HG LEU 9 4.727 -2.019 1.604 74 1HD1 LEU 9 1HD1 LEU 9 7.466 -1.089 1.857 75 2HD1 LEU 9 2HD1 LEU 9 6.583 -0.898 3.375 76 3HD1 LEU 9 3HD1 LEU 9 5.969 -0.195 1.870 77 1HD2 LEU 9 1HD2 LEU 9 7.410 -3.343 1.276 78 2HD2 LEU 9 2HD2 LEU 9 6.557 -2.400 0.048 79 3HD2 LEU 9 3HD2 LEU 9 5.877 -3.915 0.631 80 H GLY 10 H GLY 10 2.702 -4.380 3.432 81 1HA GLY 10 2HA GLY 10 1.296 -2.755 1.592 82 2HA GLY 10 1HA GLY 10 0.861 -4.358 2.122 83 H TRP 11 H TRP 11 0.750 -3.984 4.873 84 HA TRP 11 HA TRP 11 -1.800 -2.858 5.004 85 1HB TRP 11 2HB TRP 11 -0.699 -4.765 6.464 86 2HB TRP 11 1HB TRP 11 -0.500 -3.395 7.565 87 HD1 TRP 11 HD TRP 11 -2.412 -3.983 9.193 88 HE1 TRP 11 1HE TRP 11 -4.984 -4.054 9.020 89 HE3 TRP 11 3HE TRP 11 -3.038 -3.613 4.113 90 HZ2 TRP 11 2HZ TRP 11 -7.008 -3.919 7.024 91 HZ3 TRP 11 3HZ TRP 11 -5.238 -3.555 3.109 92 HH2 TRP 11 HH TRP 11 -7.271 -3.724 4.561 93 H ALA 12 H ALA 12 1.160 -1.689 6.468 94 HA ALA 12 HA ALA 12 -0.101 0.473 7.672 95 1HB ALA 12 1HB ALA 12 2.558 1.164 6.707 96 2HB ALA 12 2HB ALA 12 2.515 -0.451 7.419 97 3HB ALA 12 3HB ALA 12 1.992 0.931 8.360 98 H THR 13 H THR 13 1.045 -0.065 4.377 99 HA THR 13 HA THR 13 0.728 2.495 3.239 100 HB THR 13 HB THR 13 0.480 -0.305 2.219 101 HG1 THR 13 1HG THR 13 2.508 0.060 2.171 102 1HG2 THR 13 1HG2 THR 13 0.542 0.830 -0.080 103 2HG2 THR 13 2HG2 THR 13 -0.037 2.273 0.754 104 3HG2 THR 13 3HG2 THR 13 -1.008 0.800 0.759 105 H TRP 14 H TRP 14 -1.542 -0.171 3.690 106 HA TRP 14 HA TRP 14 -3.826 1.079 2.570 107 1HB TRP 14 2HB TRP 14 -3.497 -1.368 3.027 108 2HB TRP 14 1HB TRP 14 -3.730 -1.024 4.730 109 HD1 TRP 14 HD TRP 14 -6.140 -0.666 5.591 110 HE1 TRP 14 1HE TRP 14 -8.460 -0.891 4.498 111 HE3 TRP 14 3HE TRP 14 -4.795 -0.830 0.664 112 HZ2 TRP 14 2HZ TRP 14 -9.578 -1.122 1.879 113 HZ3 TRP 14 3HZ TRP 14 -6.480 -1.068 -1.065 114 HH2 TRP 14 HH TRP 14 -8.837 -1.220 -0.475 115 H GLU 15 H GLU 15 -2.694 0.716 5.913 116 HA GLU 15 HA GLU 15 -4.880 1.938 7.177 117 1HB GLU 15 2HB GLU 15 -1.978 1.697 8.010 118 2HB GLU 15 1HB GLU 15 -3.284 2.205 9.084 119 1HG GLU 15 2HG GLU 15 -4.414 0.086 8.860 120 2HG GLU 15 1HG GLU 15 -3.361 -0.418 7.542 121 H ILE 16 H ILE 16 -1.944 3.254 5.756 122 HA ILE 16 HA ILE 16 -2.371 5.994 6.569 123 HB ILE 16 HB ILE 16 -0.728 4.752 4.311 124 1HG1 ILE 16 2HG1 ILE 16 0.254 5.920 6.909 125 2HG1 ILE 16 1HG1 ILE 16 -0.102 4.224 6.742 126 1HG2 ILE 16 1HG2 ILE 16 0.505 7.000 4.500 127 2HG2 ILE 16 2HG2 ILE 16 -0.937 7.585 5.324 128 3HG2 ILE 16 3HG2 ILE 16 -1.045 7.005 3.667 129 1HD1 ILE 16 1HD1 ILE 16 2.341 5.381 6.190 130 2HD1 ILE 16 2HD1 ILE 16 1.605 5.295 4.582 131 3HD1 ILE 16 3HD1 ILE 16 1.798 3.830 5.553 132 H PHE 17 H PHE 17 -3.126 3.937 3.836 133 HA PHE 17 HA PHE 17 -4.213 5.804 2.009 134 1HB PHE 17 2HB PHE 17 -3.583 3.199 1.911 135 2HB PHE 17 1HB PHE 17 -5.297 3.030 2.212 136 HD1 PHE 17 1HD PHE 17 -6.932 3.701 0.549 137 HD2 PHE 17 2HD PHE 17 -2.729 4.208 -0.153 138 HE1 PHE 17 1HE PHE 17 -7.374 3.985 -1.868 139 HE2 PHE 17 2HE PHE 17 -3.158 4.499 -2.566 140 HZ PHE 17 HZ PHE 17 -5.483 4.378 -3.423 141 H ASN 18 H ASN 18 -5.544 3.984 4.701 142 HA ASN 18 HA ASN 18 -8.280 4.843 4.207 143 1HB ASN 18 2HB ASN 18 -7.002 3.039 6.263 144 2HB ASN 18 1HB ASN 18 -8.712 3.459 6.291 145 1HD2 ASN 18 1HD2 ASN 18 -6.523 2.617 3.538 146 2HD2 ASN 18 2HD2 ASN 18 -7.501 1.354 2.973 147 H LEU 19 H LEU 19 -5.756 6.493 5.538 148 HA LEU 19 HA LEU 19 -6.918 7.297 8.003 149 1HB LEU 19 2HB LEU 19 -4.604 8.156 6.405 150 2HB LEU 19 1HB LEU 19 -5.304 9.407 7.425 151 HG LEU 19 HG LEU 19 -4.451 6.650 8.390 152 1HD1 LEU 19 1HD1 LEU 19 -3.179 9.347 8.346 153 2HD1 LEU 19 2HD1 LEU 19 -2.468 7.772 8.007 154 3HD1 LEU 19 3HD1 LEU 19 -2.818 8.241 9.663 155 1HD2 LEU 19 1HD2 LEU 19 -5.800 7.169 10.137 156 2HD2 LEU 19 2HD2 LEU 19 -6.004 8.832 9.591 157 3HD2 LEU 19 3HD2 LEU 19 -4.594 8.390 10.549 158 HA PRO 20 HA PRO 20 -9.918 10.052 6.229 159 1HB PRO 20 2HB PRO 20 -10.549 11.080 8.857 160 2HB PRO 20 1HB PRO 20 -11.421 9.855 7.922 161 1HG PRO 20 2HG PRO 20 -10.108 9.352 10.249 162 2HG PRO 20 1HG PRO 20 -10.369 8.137 8.982 163 1HD PRO 20 2HD PRO 20 -7.923 9.822 9.486 164 2HD PRO 20 1HD PRO 20 -8.030 8.078 9.175 165 H ASN 21 H ASN 21 -6.963 11.236 7.030 166 HA ASN 21 HA ASN 21 -7.931 14.012 6.646 167 1HB ASN 21 2HB ASN 21 -6.300 13.064 8.979 168 2HB ASN 21 1HB ASN 21 -6.293 14.744 8.465 169 1HD2 ASN 21 1HD2 ASN 21 -8.053 12.389 10.270 170 2HD2 ASN 21 2HD2 ASN 21 -9.425 13.338 10.574 171 H LEU 22 H LEU 22 -5.811 11.690 5.630 172 HA LEU 22 HA LEU 22 -3.596 13.517 5.055 173 1HB LEU 22 2HB LEU 22 -4.002 10.617 4.307 174 2HB LEU 22 1HB LEU 22 -2.526 11.548 4.049 175 HG LEU 22 HG LEU 22 -3.807 11.030 6.748 176 1HD1 LEU 22 1HD1 LEU 22 -1.541 9.784 6.989 177 2HD1 LEU 22 2HD1 LEU 22 -1.568 9.738 5.228 178 3HD1 LEU 22 3HD1 LEU 22 -2.869 8.993 6.149 179 1HD2 LEU 22 1HD2 LEU 22 -1.456 12.630 5.805 180 2HD2 LEU 22 2HD2 LEU 22 -1.352 11.799 7.354 181 3HD2 LEU 22 3HD2 LEU 22 -2.617 13.001 7.089 182 H ASN 23 H ASN 23 -2.906 14.107 2.999 183 HA ASN 23 HA ASN 23 -5.047 14.085 0.978 184 1HB ASN 23 2HB ASN 23 -3.961 15.936 -0.054 185 2HB ASN 23 1HB ASN 23 -3.950 16.261 1.674 186 1HD2 ASN 23 1HD2 ASN 23 -2.079 17.329 -0.371 187 2HD2 ASN 23 2HD2 ASN 23 -0.530 16.829 0.109 188 H GLY 24 H GLY 24 -4.233 13.891 -1.337 189 1HA GLY 24 2HA GLY 24 -3.337 11.340 -1.841 190 2HA GLY 24 1HA GLY 24 -3.221 12.658 -2.997 191 H VAL 25 H VAL 25 -1.363 14.274 -1.494 192 HA VAL 25 HA VAL 25 1.072 13.062 -2.352 193 HB VAL 25 HB VAL 25 0.543 15.553 -0.743 194 1HG1 VAL 25 1HG1 VAL 25 2.780 15.002 -0.197 195 2HG1 VAL 25 2HG1 VAL 25 2.961 16.040 -1.611 196 3HG1 VAL 25 3HG1 VAL 25 3.079 14.287 -1.782 197 1HG2 VAL 25 1HG2 VAL 25 1.027 14.870 -3.648 198 2HG2 VAL 25 2HG2 VAL 25 1.324 16.502 -3.035 199 3HG2 VAL 25 3HG2 VAL 25 -0.297 15.809 -2.953 200 H GLN 26 H GLN 26 -0.197 13.772 0.956 201 HA GLN 26 HA GLN 26 2.001 12.785 2.347 202 1HB GLN 26 2HB GLN 26 -0.891 13.128 2.932 203 2HB GLN 26 1HB GLN 26 0.078 12.177 4.050 204 1HG GLN 26 2HG GLN 26 1.425 13.946 4.650 205 2HG GLN 26 1HG GLN 26 1.206 14.769 3.102 206 1HE2 GLN 26 1HE2 GLN 26 0.925 16.029 5.604 207 2HE2 GLN 26 2HE2 GLN 26 -0.684 16.531 5.772 208 H VAL 27 H VAL 27 -0.925 11.101 1.259 209 HA VAL 27 HA VAL 27 -0.206 8.575 2.318 210 HB VAL 27 HB VAL 27 -1.942 9.140 -0.103 211 1HG1 VAL 27 1HG1 VAL 27 -2.966 6.927 0.689 212 2HG1 VAL 27 2HG1 VAL 27 -1.531 6.745 1.701 213 3HG1 VAL 27 3HG1 VAL 27 -1.371 6.816 -0.055 214 1HG2 VAL 27 1HG2 VAL 27 -3.813 9.075 1.487 215 2HG2 VAL 27 2HG2 VAL 27 -2.677 10.328 1.981 216 3HG2 VAL 27 3HG2 VAL 27 -2.699 8.780 2.823 217 H LYS 28 H LYS 28 0.301 10.035 -0.875 218 HA LYS 28 HA LYS 28 1.632 7.834 -2.054 219 1HB LYS 28 2HB LYS 28 1.613 10.807 -2.653 220 2HB LYS 28 1HB LYS 28 2.623 9.682 -3.566 221 1HG LYS 28 2HG LYS 28 0.728 8.448 -4.346 222 2HG LYS 28 1HG LYS 28 -0.353 9.249 -3.211 223 1HD LYS 28 2HD LYS 28 -0.717 10.274 -5.358 224 2HD LYS 28 1HD LYS 28 0.194 11.434 -4.393 225 1HE LYS 28 2HE LYS 28 2.273 10.791 -5.488 226 2HE LYS 28 1HE LYS 28 1.451 9.497 -6.361 227 1HZ LYS 28 1HZ LYS 28 1.222 12.412 -6.726 228 2HZ LYS 28 2HZ LYS 28 -0.041 11.385 -7.213 229 3HZ LYS 28 3HZ LYS 28 1.508 11.209 -7.888 230 H ALA 29 H ALA 29 2.731 10.474 -0.038 231 HA ALA 29 HA ALA 29 5.515 10.075 -0.368 232 1HB ALA 29 1HB ALA 29 4.467 12.187 0.446 233 2HB ALA 29 2HB ALA 29 5.756 11.583 1.484 234 3HB ALA 29 3HB ALA 29 4.072 11.345 1.945 235 H PHE 30 H PHE 30 3.144 9.087 2.044 236 HA PHE 30 HA PHE 30 4.962 7.778 3.719 237 1HB PHE 30 2HB PHE 30 2.005 7.373 3.327 238 2HB PHE 30 1HB PHE 30 2.958 6.666 4.628 239 HD1 PHE 30 1HD PHE 30 4.768 8.834 5.452 240 HD2 PHE 30 2HD PHE 30 0.595 9.033 4.320 241 HE1 PHE 30 1HE PHE 30 4.486 10.897 6.765 242 HE2 PHE 30 2HE PHE 30 0.356 11.075 5.669 243 HZ PHE 30 HZ PHE 30 2.288 12.000 6.872 244 H ILE 31 H ILE 31 3.034 6.904 0.920 245 HA ILE 31 HA ILE 31 3.669 4.150 0.920 246 HB ILE 31 HB ILE 31 2.660 6.055 -1.173 247 1HG1 ILE 31 2HG1 ILE 31 1.561 3.456 -0.045 248 2HG1 ILE 31 1HG1 ILE 31 1.141 5.054 0.557 249 1HG2 ILE 31 1HG2 ILE 31 3.919 4.782 -2.662 250 2HG2 ILE 31 2HG2 ILE 31 2.472 3.783 -2.565 251 3HG2 ILE 31 3HG2 ILE 31 3.900 3.353 -1.632 252 1HD1 ILE 31 1HD1 ILE 31 -0.559 4.166 -1.024 253 2HD1 ILE 31 2HD1 ILE 31 0.679 4.090 -2.280 254 3HD1 ILE 31 3HD1 ILE 31 0.190 5.651 -1.619 255 H ASP 32 H ASP 32 5.108 6.965 -0.647 256 HA ASP 32 HA ASP 32 7.145 5.551 -1.965 257 1HB ASP 32 2HB ASP 32 6.804 8.418 -1.116 258 2HB ASP 32 1HB ASP 32 8.343 7.886 -1.798 259 H SER 33 H SER 33 7.014 6.950 1.228 260 HA SER 33 HA SER 33 9.720 6.457 1.962 261 1HB SER 33 2HB SER 33 7.236 6.706 3.684 262 2HB SER 33 1HB SER 33 8.903 6.774 4.264 263 HG SER 33 HG SER 33 7.687 8.514 2.374 264 H LEU 34 H LEU 34 6.736 4.678 2.121 265 HA LEU 34 HA LEU 34 7.492 2.338 3.575 266 1HB LEU 34 2HB LEU 34 5.341 3.309 1.806 267 2HB LEU 34 1HB LEU 34 5.606 1.598 1.731 268 HG LEU 34 HG LEU 34 5.599 2.554 4.456 269 1HD1 LEU 34 1HD1 LEU 34 3.373 3.316 2.636 270 2HD1 LEU 34 2HD1 LEU 34 3.938 4.112 4.100 271 3HD1 LEU 34 3HD1 LEU 34 2.938 2.668 4.212 272 1HD2 LEU 34 1HD2 LEU 34 4.337 0.442 2.777 273 2HD2 LEU 34 2HD2 LEU 34 3.692 0.759 4.388 274 3HD2 LEU 34 3HD2 LEU 34 5.373 0.294 4.180 275 H ARG 35 H ARG 35 7.287 3.052 0.141 276 HA ARG 35 HA ARG 35 8.343 0.672 -0.914 277 1HB ARG 35 2HB ARG 35 8.438 3.506 -1.967 278 2HB ARG 35 1HB ARG 35 8.816 2.074 -2.922 279 1HG ARG 35 2HG ARG 35 6.567 1.228 -2.626 280 2HG ARG 35 1HG ARG 35 6.192 2.519 -1.522 281 1HD ARG 35 2HD ARG 35 5.238 3.127 -3.630 282 2HD ARG 35 1HD ARG 35 6.635 4.162 -3.356 283 HE ARG 35 HE ARG 35 7.575 3.228 -5.221 284 1HH1 ARG 35 1HH1 ARG 35 5.302 1.013 -3.857 285 2HH1 ARG 35 2HH1 ARG 35 5.449 -0.133 -5.155 286 1HH2 ARG 35 1HH2 ARG 35 7.704 1.799 -6.945 287 2HH2 ARG 35 2HH2 ARG 35 6.825 0.310 -6.893 288 H ASP 36 H ASP 36 9.899 3.722 -0.029 289 HA ASP 36 HA ASP 36 12.538 3.034 -0.796 290 1HB ASP 36 2HB ASP 36 11.694 5.353 -0.466 291 2HB ASP 36 1HB ASP 36 11.670 5.029 1.256 292 H ASP 37 H ASP 37 10.729 2.826 2.194 293 HA ASP 37 HA ASP 37 12.662 0.913 3.257 294 1HB ASP 37 2HB ASP 37 13.235 3.276 4.072 295 2HB ASP 37 1HB ASP 37 11.724 3.215 4.971 296 HA PRO 38 HA PRO 38 8.453 -0.541 3.907 297 1HB PRO 38 2HB PRO 38 9.518 -3.197 3.958 298 2HB PRO 38 1HB PRO 38 8.516 -2.432 2.737 299 1HG PRO 38 2HG PRO 38 11.173 -3.165 2.457 300 2HG PRO 38 1HG PRO 38 10.258 -2.099 1.382 301 1HD PRO 38 2HD PRO 38 12.286 -1.407 3.416 302 2HD PRO 38 1HD PRO 38 11.745 -0.490 1.992 303 H SER 39 H SER 39 11.380 -1.434 5.625 304 HA SER 39 HA SER 39 10.159 -2.685 7.854 305 1HB SER 39 2HB SER 39 12.622 -2.763 7.306 306 2HB SER 39 1HB SER 39 12.743 -1.093 7.847 307 HG SER 39 HG SER 39 11.733 -1.918 9.849 308 H GLN 40 H GLN 40 10.706 0.584 6.862 309 HA GLN 40 HA GLN 40 10.014 1.816 9.377 310 1HB GLN 40 2HB GLN 40 11.636 2.710 7.598 311 2HB GLN 40 1HB GLN 40 10.201 3.158 6.682 312 1HG GLN 40 2HG GLN 40 9.433 4.566 8.538 313 2HG GLN 40 1HG GLN 40 10.827 4.087 9.502 314 1HE2 GLN 40 1HE2 GLN 40 12.233 4.232 6.572 315 2HE2 GLN 40 2HE2 GLN 40 12.641 5.876 6.500 316 H SER 41 H SER 41 8.198 0.286 7.075 317 HA SER 41 HA SER 41 6.128 1.875 6.287 318 1HB SER 41 2HB SER 41 6.356 -0.461 5.648 319 2HB SER 41 1HB SER 41 6.076 -0.984 7.299 320 HG SER 41 HG SER 41 4.119 -1.135 6.458 321 H ALA 42 H ALA 42 6.464 0.359 9.485 322 HA ALA 42 HA ALA 42 3.907 1.039 10.506 323 1HB ALA 42 1HB ALA 42 4.933 0.596 12.682 324 2HB ALA 42 2HB ALA 42 6.537 0.667 11.945 325 3HB ALA 42 3HB ALA 42 5.424 -0.638 11.520 326 H ASN 43 H ASN 43 7.024 2.584 10.431 327 HA ASN 43 HA ASN 43 6.500 4.730 12.166 328 1HB ASN 43 2HB ASN 43 8.568 3.856 10.274 329 2HB ASN 43 1HB ASN 43 8.493 5.602 10.529 330 1HD2 ASN 43 1HD2 ASN 43 9.786 2.729 11.783 331 2HD2 ASN 43 2HD2 ASN 43 10.171 3.287 13.338 332 H LEU 44 H LEU 44 6.120 4.233 8.770 333 HA LEU 44 HA LEU 44 5.589 6.942 8.017 334 1HB LEU 44 2HB LEU 44 5.036 4.313 6.600 335 2HB LEU 44 1HB LEU 44 5.147 5.920 5.848 336 HG LEU 44 HG LEU 44 7.360 4.786 7.544 337 1HD1 LEU 44 1HD1 LEU 44 8.442 4.585 5.158 338 2HD1 LEU 44 2HD1 LEU 44 6.763 4.270 4.715 339 3HD1 LEU 44 3HD1 LEU 44 7.567 3.267 5.928 340 1HD2 LEU 44 1HD2 LEU 44 7.457 7.094 7.413 341 2HD2 LEU 44 2HD2 LEU 44 7.070 7.092 5.693 342 3HD2 LEU 44 3HD2 LEU 44 8.639 6.500 6.245 343 H LEU 45 H LEU 45 3.876 4.143 8.889 344 HA LEU 45 HA LEU 45 1.224 5.108 8.446 345 1HB LEU 45 2HB LEU 45 1.451 2.771 8.629 346 2HB LEU 45 1HB LEU 45 2.434 2.881 10.084 347 HG LEU 45 HG LEU 45 0.478 3.692 11.347 348 1HD1 LEU 45 1HD1 LEU 45 -1.784 3.488 10.150 349 2HD1 LEU 45 2HD1 LEU 45 -0.867 3.486 8.646 350 3HD1 LEU 45 3HD1 LEU 45 -0.792 4.880 9.722 351 1HD2 LEU 45 1HD2 LEU 45 -0.002 1.166 9.736 352 2HD2 LEU 45 2HD2 LEU 45 -0.847 1.584 11.230 353 3HD2 LEU 45 3HD2 LEU 45 0.894 1.298 11.251 354 H ALA 46 H ALA 46 3.568 5.160 10.999 355 HA ALA 46 HA ALA 46 2.006 6.306 13.045 356 1HB ALA 46 1HB ALA 46 4.386 5.207 13.125 357 2HB ALA 46 2HB ALA 46 4.019 6.538 14.222 358 3HB ALA 46 3HB ALA 46 4.939 6.839 12.742 359 H GLU 47 H GLU 47 4.191 7.568 10.640 360 HA GLU 47 HA GLU 47 4.065 10.300 11.258 361 1HB GLU 47 2HB GLU 47 4.709 8.653 8.847 362 2HB GLU 47 1HB GLU 47 4.627 10.406 8.707 363 1HG GLU 47 2HG GLU 47 6.460 8.779 10.466 364 2HG GLU 47 1HG GLU 47 6.900 9.761 9.070 365 H ALA 48 H ALA 48 2.209 8.166 9.224 366 HA ALA 48 HA ALA 48 0.665 10.121 7.940 367 1HB ALA 48 1HB ALA 48 -0.726 8.151 7.378 368 2HB ALA 48 2HB ALA 48 0.213 7.199 8.514 369 3HB ALA 48 3HB ALA 48 0.978 7.883 7.083 370 H LYS 49 H LYS 49 0.083 8.038 10.761 371 HA LYS 49 HA LYS 49 -2.480 9.050 11.401 372 1HB LYS 49 2HB LYS 49 -0.320 7.796 13.107 373 2HB LYS 49 1HB LYS 49 -1.893 8.271 13.749 374 1HG LYS 49 2HG LYS 49 -2.996 6.826 12.043 375 2HG LYS 49 1HG LYS 49 -1.409 6.298 11.492 376 1HD LYS 49 2HD LYS 49 -0.928 5.458 13.798 377 2HD LYS 49 1HD LYS 49 -2.570 5.900 14.267 378 1HE LYS 49 2HE LYS 49 -3.323 4.429 12.268 379 2HE LYS 49 1HE LYS 49 -1.684 3.778 12.314 380 1HZ LYS 49 1HZ LYS 49 -3.069 2.414 13.662 381 2HZ LYS 49 2HZ LYS 49 -3.676 3.757 14.511 382 3HZ LYS 49 3HZ LYS 49 -2.052 3.292 14.697 383 H LYS 50 H LYS 50 0.775 10.227 11.903 384 HA LYS 50 HA LYS 50 0.045 12.239 13.776 385 1HB LYS 50 2HB LYS 50 2.346 11.250 13.567 386 2HB LYS 50 1HB LYS 50 2.501 12.096 12.033 387 1HG LYS 50 2HG LYS 50 1.626 14.070 13.834 388 2HG LYS 50 1HG LYS 50 2.810 13.128 14.739 389 1HD LYS 50 2HD LYS 50 3.303 14.206 11.950 390 2HD LYS 50 1HD LYS 50 3.799 15.045 13.420 391 1HE LYS 50 2HE LYS 50 4.624 12.190 12.842 392 2HE LYS 50 1HE LYS 50 5.572 13.572 12.292 393 1HZ LYS 50 1HZ LYS 50 4.781 13.137 15.116 394 2HZ LYS 50 2HZ LYS 50 5.869 14.297 14.518 395 3HZ LYS 50 3HZ LYS 50 6.269 12.646 14.470 396 H LEU 51 H LEU 51 0.577 12.056 10.328 397 HA LEU 51 HA LEU 51 0.208 14.824 9.844 398 1HB LEU 51 2HB LEU 51 0.488 12.389 8.175 399 2HB LEU 51 1HB LEU 51 -0.381 13.738 7.446 400 HG LEU 51 HG LEU 51 1.942 13.952 6.876 401 1HD1 LEU 51 1HD1 LEU 51 2.127 16.185 7.308 402 2HD1 LEU 51 2HD1 LEU 51 1.823 15.989 9.034 403 3HD1 LEU 51 3HD1 LEU 51 0.479 15.962 7.892 404 1HD2 LEU 51 1HD2 LEU 51 3.526 14.425 8.939 405 2HD2 LEU 51 2HD2 LEU 51 3.224 12.773 8.419 406 3HD2 LEU 51 3HD2 LEU 51 2.351 13.434 9.801 407 H ASN 52 H ASN 52 -1.866 11.994 9.708 408 HA ASN 52 HA ASN 52 -4.188 13.247 8.757 409 1HB ASN 52 2HB ASN 52 -4.760 11.068 8.732 410 2HB ASN 52 1HB ASN 52 -3.367 10.669 9.715 411 1HD2 ASN 52 1HD2 ASN 52 -6.773 11.425 9.825 412 2HD2 ASN 52 2HD2 ASN 52 -7.024 10.915 11.421 413 H ASP 53 H ASP 53 -2.934 12.521 11.994 414 HA ASP 53 HA ASP 53 -5.083 13.613 13.429 415 1HB ASP 53 2HB ASP 53 -3.460 12.147 14.499 416 2HB ASP 53 1HB ASP 53 -2.195 13.352 14.268 417 H ALA 54 H ALA 54 -2.075 14.998 12.248 418 HA ALA 54 HA ALA 54 -2.316 17.548 13.407 419 1HB ALA 54 1HB ALA 54 -0.888 16.515 10.959 420 2HB ALA 54 2HB ALA 54 -0.195 16.947 12.520 421 3HB ALA 54 3HB ALA 54 -0.800 18.208 11.446 422 H GLN 55 H GLN 55 -3.487 16.107 10.412 423 HA GLN 55 HA GLN 55 -4.723 18.584 9.499 424 1HB GLN 55 2HB GLN 55 -4.550 15.769 8.438 425 2HB GLN 55 1HB GLN 55 -5.551 17.003 7.664 426 1HG GLN 55 2HG GLN 55 -3.649 18.400 7.234 427 2HG GLN 55 1HG GLN 55 -2.612 17.423 8.272 428 1HE2 GLN 55 1HE2 GLN 55 -2.429 15.034 7.533 429 2HE2 GLN 55 2HE2 GLN 55 -2.327 14.765 5.861 430 H ALA 56 H ALA 56 -5.501 16.221 11.714 431 HA ALA 56 HA ALA 56 -8.361 16.107 11.184 432 1HB ALA 56 1HB ALA 56 -7.206 14.115 12.087 433 2HB ALA 56 2HB ALA 56 -8.452 14.689 13.192 434 3HB ALA 56 3HB ALA 56 -6.756 15.032 13.523 435 HA PRO 57 HA PRO 57 -9.742 19.702 13.263 436 1HB PRO 57 2HB PRO 57 -11.704 18.288 14.806 437 2HB PRO 57 1HB PRO 57 -11.933 19.211 13.316 438 1HG PRO 57 2HG PRO 57 -11.598 16.326 13.700 439 2HG PRO 57 1HG PRO 57 -12.476 17.216 12.444 440 1HD PRO 57 2HD PRO 57 -10.169 16.035 11.870 441 2HD PRO 57 1HD PRO 57 -10.547 17.646 11.217 442 H LYS 58 H LYS 58 -9.539 20.714 15.115 443 HA LYS 58 HA LYS 58 -8.454 19.279 17.463 444 1HB LYS 58 2HB LYS 58 -7.701 22.027 16.547 445 2HB LYS 58 1HB LYS 58 -7.034 21.187 17.934 446 1HG LYS 58 2HG LYS 58 -6.802 20.249 15.051 447 2HG LYS 58 1HG LYS 58 -5.532 21.081 15.945 448 1HD LYS 58 2HD LYS 58 -5.772 19.185 17.693 449 2HD LYS 58 1HD LYS 58 -6.668 18.322 16.445 450 1HE LYS 58 2HE LYS 58 -3.813 19.329 16.253 451 2HE LYS 58 1HE LYS 58 -4.338 17.648 16.322 452 1HZ LYS 58 1HZ LYS 58 -4.215 19.417 14.082 453 2HZ LYS 58 2HZ LYS 58 -5.752 18.709 14.245 454 3HZ LYS 58 3HZ LYS 58 -4.371 17.728 14.118 455 1H VAL 1 1HT VAL 1 -16.100 -3.073 7.232 456 2H VAL 1 2HT VAL 1 -17.205 -3.825 8.281 457 3H VAL 1 3HT VAL 1 -17.400 -3.958 6.599 458 HA VAL 1 HA VAL 1 -15.075 -5.027 8.099 459 HB VAL 1 HB VAL 1 -16.137 -7.257 7.672 460 1HG1 VAL 1 1HG1 VAL 1 -16.391 -6.037 9.850 461 2HG1 VAL 1 2HG1 VAL 1 -17.735 -7.123 9.494 462 3HG1 VAL 1 3HG1 VAL 1 -17.921 -5.384 9.261 463 1HG2 VAL 1 1HG2 VAL 1 -18.584 -5.607 6.936 464 2HG2 VAL 1 2HG2 VAL 1 -18.495 -7.365 7.029 465 3HG2 VAL 1 3HG2 VAL 1 -17.598 -6.504 5.781 466 H ASP 2 H ASP 2 -14.462 -7.089 6.557 467 HA ASP 2 HA ASP 2 -14.436 -6.290 3.738 468 1HB ASP 2 2HB ASP 2 -12.444 -5.218 4.830 469 2HB ASP 2 1HB ASP 2 -11.877 -6.827 5.265 470 H ASN 3 H ASN 3 -13.626 -7.988 2.337 471 HA ASN 3 HA ASN 3 -14.633 -10.537 2.962 472 1HB ASN 3 2HB ASN 3 -14.353 -9.556 0.659 473 2HB ASN 3 1HB ASN 3 -12.622 -9.838 0.808 474 1HD2 ASN 3 1HD2 ASN 3 -15.709 -11.686 1.183 475 2HD2 ASN 3 2HD2 ASN 3 -15.096 -13.113 0.499 476 H LYS 4 H LYS 4 -13.245 -12.586 2.775 477 HA LYS 4 HA LYS 4 -11.424 -12.712 4.893 478 1HB LYS 4 2HB LYS 4 -10.966 -14.974 4.208 479 2HB LYS 4 1HB LYS 4 -12.676 -14.653 3.944 480 1HG LYS 4 2HG LYS 4 -12.142 -14.125 1.546 481 2HG LYS 4 1HG LYS 4 -10.482 -14.637 1.856 482 1HD LYS 4 2HD LYS 4 -11.582 -16.542 0.942 483 2HD LYS 4 1HD LYS 4 -11.453 -16.846 2.675 484 1HE LYS 4 2HE LYS 4 -13.736 -16.345 3.050 485 2HE LYS 4 1HE LYS 4 -13.903 -15.536 1.491 486 1HZ LYS 4 1HZ LYS 4 -13.648 -17.629 0.374 487 2HZ LYS 4 2HZ LYS 4 -14.887 -17.776 1.528 488 3HZ LYS 4 3HZ LYS 4 -13.351 -18.433 1.836 489 H PHE 5 H PHE 5 -10.990 -11.736 1.652 490 HA PHE 5 HA PHE 5 -8.183 -12.153 1.439 491 1HB PHE 5 2HB PHE 5 -10.245 -10.634 -0.127 492 2HB PHE 5 1HB PHE 5 -8.532 -10.351 -0.443 493 HD1 PHE 5 1HD PHE 5 -7.683 -11.603 -2.215 494 HD2 PHE 5 2HD PHE 5 -10.683 -13.310 0.334 495 HE1 PHE 5 1HE PHE 5 -7.579 -13.712 -3.512 496 HE2 PHE 5 2HE PHE 5 -10.586 -15.423 -0.967 497 HZ PHE 5 HZ PHE 5 -9.027 -15.624 -2.885 498 H ASN 6 H ASN 6 -9.533 -10.372 3.714 499 HA ASN 6 HA ASN 6 -8.393 -7.767 3.413 500 1HB ASN 6 2HB ASN 6 -10.149 -8.550 5.145 501 2HB ASN 6 1HB ASN 6 -8.788 -9.198 6.052 502 1HD2 ASN 6 1HD2 ASN 6 -6.876 -7.088 5.497 503 2HD2 ASN 6 2HD2 ASN 6 -7.434 -5.683 6.261 504 H LYS 7 H LYS 7 -7.318 -10.786 4.830 505 HA LYS 7 HA LYS 7 -4.762 -9.883 5.695 506 1HB LYS 7 2HB LYS 7 -4.320 -12.231 6.060 507 2HB LYS 7 1HB LYS 7 -5.993 -11.913 6.513 508 1HG LYS 7 2HG LYS 7 -6.664 -12.687 4.193 509 2HG LYS 7 1HG LYS 7 -5.000 -13.220 3.972 510 1HD LYS 7 2HD LYS 7 -5.229 -14.625 6.039 511 2HD LYS 7 1HD LYS 7 -6.936 -14.182 6.097 512 1HE LYS 7 2HE LYS 7 -7.014 -16.206 4.930 513 2HE LYS 7 1HE LYS 7 -6.964 -15.038 3.610 514 1HZ LYS 7 1HZ LYS 7 -4.656 -15.392 3.329 515 2HZ LYS 7 2HZ LYS 7 -5.371 -16.932 3.417 516 3HZ LYS 7 3HZ LYS 7 -4.538 -16.300 4.757 517 H GLU 8 H GLU 8 -6.008 -11.419 2.792 518 HA GLU 8 HA GLU 8 -3.514 -11.778 1.456 519 1HB GLU 8 2HB GLU 8 -6.393 -11.706 0.472 520 2HB GLU 8 1HB GLU 8 -5.017 -12.163 -0.537 521 1HG GLU 8 2HG GLU 8 -5.896 -13.545 2.022 522 2HG GLU 8 1HG GLU 8 -6.101 -14.169 0.385 523 H ARG 9 H ARG 9 -5.932 -9.237 1.519 524 HA ARG 9 HA ARG 9 -5.144 -7.762 -0.723 525 1HB ARG 9 2HB ARG 9 -7.263 -7.355 0.379 526 2HB ARG 9 1HB ARG 9 -6.448 -6.879 1.869 527 1HG ARG 9 2HG ARG 9 -5.478 -4.939 0.784 528 2HG ARG 9 1HG ARG 9 -6.098 -5.453 -0.781 529 1HD ARG 9 2HD ARG 9 -7.570 -3.738 0.079 530 2HD ARG 9 1HD ARG 9 -8.422 -5.273 0.167 531 HE ARG 9 HE ARG 9 -6.976 -4.435 2.569 532 1HH1 ARG 9 1HH1 ARG 9 -9.737 -3.266 1.138 533 2HH1 ARG 9 2HH1 ARG 9 -10.829 -3.727 2.400 534 1HH2 ARG 9 1HH2 ARG 9 -8.485 -5.636 4.084 535 2HH2 ARG 9 2HH2 ARG 9 -10.118 -5.064 4.071 536 H VAL 10 H VAL 10 -4.162 -7.493 2.724 537 HA VAL 10 HA VAL 10 -2.486 -5.266 2.329 538 HB VAL 10 HB VAL 10 -2.077 -5.311 4.516 539 1HG1 VAL 10 1HG1 VAL 10 -3.771 -7.773 4.845 540 2HG1 VAL 10 2HG1 VAL 10 -4.489 -6.263 4.281 541 3HG1 VAL 10 3HG1 VAL 10 -3.699 -6.330 5.863 542 1HG2 VAL 10 1HG2 VAL 10 -1.510 -8.272 4.512 543 2HG2 VAL 10 2HG2 VAL 10 -1.088 -7.093 5.761 544 3HG2 VAL 10 3HG2 VAL 10 -0.298 -7.026 4.186 545 H ILE 11 H ILE 11 -1.858 -8.728 1.978 546 HA ILE 11 HA ILE 11 0.954 -8.470 1.690 547 HB ILE 11 HB ILE 11 -0.875 -10.589 0.523 548 1HG1 ILE 11 2HG1 ILE 11 0.555 -10.212 3.163 549 2HG1 ILE 11 1HG1 ILE 11 -1.120 -10.660 2.879 550 1HG2 ILE 11 1HG2 ILE 11 1.375 -10.439 -0.579 551 2HG2 ILE 11 2HG2 ILE 11 1.187 -11.929 0.338 552 3HG2 ILE 11 3HG2 ILE 11 2.137 -10.599 1.004 553 1HD1 ILE 11 1HD1 ILE 11 1.339 -12.349 2.798 554 2HD1 ILE 11 2HD1 ILE 11 0.006 -12.777 1.719 555 3HD1 ILE 11 3HD1 ILE 11 -0.253 -12.719 3.462 556 H ALA 12 H ALA 12 -1.733 -8.185 -0.639 557 HA ALA 12 HA ALA 12 -0.098 -7.971 -2.978 558 1HB ALA 12 1HB ALA 12 -2.209 -6.601 -3.727 559 2HB ALA 12 2HB ALA 12 -2.903 -7.219 -2.225 560 3HB ALA 12 3HB ALA 12 -2.356 -8.339 -3.468 561 H ILE 13 H ILE 13 -1.570 -5.594 -0.805 562 HA ILE 13 HA ILE 13 -0.524 -3.279 -2.024 563 HB ILE 13 HB ILE 13 -1.106 -3.825 0.916 564 1HG1 ILE 13 2HG1 ILE 13 -2.890 -2.524 -1.134 565 2HG1 ILE 13 1HG1 ILE 13 -2.928 -4.257 -0.840 566 1HG2 ILE 13 1HG2 ILE 13 -0.865 -1.248 -0.652 567 2HG2 ILE 13 2HG2 ILE 13 0.091 -1.728 0.734 568 3HG2 ILE 13 3HG2 ILE 13 -1.623 -1.358 0.938 569 1HD1 ILE 13 1HD1 ILE 13 -3.512 -3.896 1.481 570 2HD1 ILE 13 2HD1 ILE 13 -4.646 -2.999 0.470 571 3HD1 ILE 13 3HD1 ILE 13 -3.326 -2.161 1.287 572 H GLY 14 H GLY 14 0.723 -5.575 0.294 573 1HA GLY 14 2HA GLY 14 3.189 -4.308 0.892 574 2HA GLY 14 1HA GLY 14 2.832 -6.021 1.058 575 H GLU 15 H GLU 15 2.246 -6.611 -1.649 576 HA GLU 15 HA GLU 15 4.889 -7.026 -2.629 577 1HB GLU 15 2HB GLU 15 2.814 -8.485 -2.928 578 2HB GLU 15 1HB GLU 15 2.332 -7.361 -4.173 579 1HG GLU 15 2HG GLU 15 3.905 -8.117 -5.661 580 2HG GLU 15 1HG GLU 15 5.111 -8.323 -4.384 581 H ILE 16 H ILE 16 2.160 -4.993 -3.590 582 HA ILE 16 HA ILE 16 3.302 -3.844 -5.905 583 HB ILE 16 HB ILE 16 1.598 -2.212 -4.034 584 1HG1 ILE 16 2HG1 ILE 16 1.004 -4.887 -5.002 585 2HG1 ILE 16 1HG1 ILE 16 0.127 -3.878 -3.865 586 1HG2 ILE 16 1HG2 ILE 16 1.630 -2.547 -7.044 587 2HG2 ILE 16 2HG2 ILE 16 2.300 -1.193 -6.149 588 3HG2 ILE 16 3HG2 ILE 16 0.565 -1.467 -6.155 589 1HD1 ILE 16 1HD1 ILE 16 -0.876 -2.713 -5.770 590 2HD1 ILE 16 2HD1 ILE 16 -1.296 -4.424 -5.666 591 3HD1 ILE 16 3HD1 ILE 16 -0.100 -3.879 -6.843 592 H MET 17 H MET 17 3.194 -2.636 -2.610 593 HA MET 17 HA MET 17 4.791 -0.340 -2.869 594 1HB MET 17 2HB MET 17 4.381 -2.165 -0.514 595 2HB MET 17 1HB MET 17 5.010 -0.512 -0.456 596 1HG MET 17 2HG MET 17 2.334 -1.165 -1.714 597 2HG MET 17 1HG MET 17 2.489 -0.754 -0.009 598 1HE MET 17 1HE MET 17 4.037 0.772 0.665 599 2HE MET 17 2HE MET 17 3.268 2.360 0.531 600 3HE MET 17 3HE MET 17 4.796 2.063 -0.300 601 H ARG 18 H ARG 18 5.652 -3.727 -2.399 602 HA ARG 18 HA ARG 18 8.416 -3.301 -1.876 603 1HB ARG 18 2HB ARG 18 6.657 -5.573 -2.378 604 2HB ARG 18 1HB ARG 18 8.344 -5.810 -2.811 605 1HG ARG 18 2HG ARG 18 8.421 -4.463 -0.343 606 2HG ARG 18 1HG ARG 18 7.125 -5.630 -0.167 607 1HD ARG 18 2HD ARG 18 9.423 -6.782 -1.506 608 2HD ARG 18 1HD ARG 18 9.847 -6.116 0.064 609 HE ARG 18 HE ARG 18 8.176 -7.558 1.052 610 1HH1 ARG 18 1HH2 ARG 18 6.776 -7.926 -1.725 611 2HH1 ARG 18 2HH2 ARG 18 7.072 -9.612 -1.991 612 1HH2 ARG 18 1HH1 ARG 18 9.481 -9.846 0.485 613 2HH2 ARG 18 2HH1 ARG 18 8.603 -10.697 -0.740 614 H LEU 19 H LEU 19 6.516 -3.734 -4.823 615 HA LEU 19 HA LEU 19 8.571 -4.311 -6.638 616 1HB LEU 19 2HB LEU 19 6.039 -2.733 -7.031 617 2HB LEU 19 1HB LEU 19 7.100 -3.171 -8.336 618 HG LEU 19 HG LEU 19 5.872 -5.199 -6.465 619 1HD1 LEU 19 1HD1 LEU 19 4.928 -4.416 -9.232 620 2HD1 LEU 19 2HD1 LEU 19 4.167 -3.868 -7.742 621 3HD1 LEU 19 3HD1 LEU 19 4.173 -5.577 -8.138 622 1HD2 LEU 19 1HD2 LEU 19 6.978 -6.730 -7.683 623 2HD2 LEU 19 2HD2 LEU 19 7.925 -5.390 -8.318 624 3HD2 LEU 19 3HD2 LEU 19 6.515 -5.966 -9.201 625 HA PRO 20 HA PRO 20 10.697 -0.398 -6.181 626 1HB PRO 20 2HB PRO 20 12.816 -1.437 -7.832 627 2HB PRO 20 1HB PRO 20 12.803 -1.188 -6.085 628 1HG PRO 20 2HG PRO 20 12.897 -3.621 -7.329 629 2HG PRO 20 1HG PRO 20 12.336 -3.348 -5.672 630 1HD PRO 20 2HD PRO 20 10.738 -3.764 -8.160 631 2HD PRO 20 1HD PRO 20 10.419 -4.303 -6.495 632 H ASN 21 H ASN 21 9.345 -1.665 -9.046 633 HA ASN 21 HA ASN 21 10.401 0.573 -10.662 634 1HB ASN 21 2HB ASN 21 8.913 -1.871 -11.601 635 2HB ASN 21 1HB ASN 21 9.672 -0.656 -12.610 636 1HD2 ASN 21 1HD2 ASN 21 10.267 -3.627 -12.285 637 2HD2 ASN 21 2HD2 ASN 21 11.925 -3.688 -11.924 638 H LEU 22 H LEU 22 7.535 -0.403 -8.982 639 HA LEU 22 HA LEU 22 5.678 0.920 -10.722 640 1HB LEU 22 2HB LEU 22 5.360 0.171 -7.822 641 2HB LEU 22 1HB LEU 22 4.080 0.801 -8.830 642 HG LEU 22 HG LEU 22 5.526 -1.833 -9.073 643 1HD1 LEU 22 1HD1 LEU 22 2.655 -0.957 -8.673 644 2HD1 LEU 22 2HD1 LEU 22 3.649 -1.927 -7.591 645 3HD1 LEU 22 3HD1 LEU 22 3.088 -2.608 -9.119 646 1HD2 LEU 22 1HD2 LEU 22 3.936 -0.265 -11.055 647 2HD2 LEU 22 2HD2 LEU 22 3.877 -2.016 -11.078 648 3HD2 LEU 22 3HD2 LEU 22 5.421 -1.193 -11.305 649 H ASN 23 H ASN 23 4.431 2.741 -10.250 650 HA ASN 23 HA ASN 23 6.008 4.967 -9.200 651 1HB ASN 23 2HB ASN 23 5.138 5.645 -11.212 652 2HB ASN 23 1HB ASN 23 3.807 4.544 -11.138 653 1HD2 ASN 23 1HD2 ASN 23 4.848 7.347 -9.163 654 2HD2 ASN 23 2HD2 ASN 23 3.339 8.110 -9.210 655 H SER 24 H SER 24 5.009 6.478 -7.676 656 HA SER 24 HA SER 24 3.782 5.232 -5.468 657 1HB SER 24 2HB SER 24 3.485 7.485 -4.587 658 2HB SER 24 1HB SER 24 5.055 7.366 -5.367 659 HG SER 24 HG SER 24 4.166 9.197 -6.156 660 H LEU 25 H LEU 25 2.472 7.182 -8.102 661 HA LEU 25 HA LEU 25 -0.231 7.079 -7.242 662 1HB LEU 25 2HB LEU 25 1.232 8.321 -9.361 663 2HB LEU 25 1HB LEU 25 -0.150 7.494 -10.027 664 HG LEU 25 HG LEU 25 -0.271 9.368 -7.706 665 1HD1 LEU 25 1HD1 LEU 25 0.339 10.556 -9.787 666 2HD1 LEU 25 2HD1 LEU 25 -1.297 10.966 -9.276 667 3HD1 LEU 25 3HD1 LEU 25 -1.047 9.825 -10.598 668 1HD2 LEU 25 1HD2 LEU 25 -2.774 9.151 -8.821 669 2HD2 LEU 25 2HD2 LEU 25 -2.209 8.254 -7.411 670 3HD2 LEU 25 3HD2 LEU 25 -2.118 7.524 -9.014 671 H GLN 26 H GLN 26 1.748 5.072 -9.398 672 HA GLN 26 HA GLN 26 -0.367 3.559 -10.507 673 1HB GLN 26 2HB GLN 26 2.560 3.041 -10.062 674 2HB GLN 26 1HB GLN 26 1.511 1.794 -10.727 675 1HG GLN 26 2HG GLN 26 0.873 3.305 -12.572 676 2HG GLN 26 1HG GLN 26 1.920 4.566 -11.902 677 1HE2 GLN 26 1HE2 GLN 26 3.553 1.787 -11.202 678 2HE2 GLN 26 2HE2 GLN 26 4.496 1.652 -12.603 679 H VAL 27 H VAL 27 1.649 3.208 -7.664 680 HA VAL 27 HA VAL 27 0.639 0.723 -6.796 681 HB VAL 27 HB VAL 27 2.013 2.952 -5.293 682 1HG1 VAL 27 1HG1 VAL 27 1.257 1.834 -3.452 683 2HG1 VAL 27 2HG1 VAL 27 2.485 0.645 -3.879 684 3HG1 VAL 27 3HG1 VAL 27 0.812 0.401 -4.378 685 1HG2 VAL 27 1HG2 VAL 27 3.459 0.466 -5.649 686 2HG2 VAL 27 2HG2 VAL 27 3.901 2.086 -6.183 687 3HG2 VAL 27 3HG2 VAL 27 2.890 1.063 -7.205 688 H VAL 28 H VAL 28 -0.200 4.067 -6.069 689 HA VAL 28 HA VAL 28 -2.261 3.516 -4.233 690 HB VAL 28 HB VAL 28 -1.945 5.839 -6.163 691 1HG1 VAL 28 1HG1 VAL 28 -3.850 6.704 -5.317 692 2HG1 VAL 28 2HG1 VAL 28 -3.371 6.323 -3.662 693 3HG1 VAL 28 3HG1 VAL 28 -4.163 5.102 -4.654 694 1HG2 VAL 28 1HG2 VAL 28 -1.437 6.310 -3.308 695 2HG2 VAL 28 2HG2 VAL 28 -0.452 6.743 -4.705 696 3HG2 VAL 28 3HG2 VAL 28 -0.322 5.133 -4.000 697 H ALA 29 H ALA 29 -2.065 3.580 -7.743 698 HA ALA 29 HA ALA 29 -4.802 3.494 -8.403 699 1HB ALA 29 1HB ALA 29 -4.000 3.281 -10.529 700 2HB ALA 29 2HB ALA 29 -3.016 1.872 -10.114 701 3HB ALA 29 3HB ALA 29 -2.408 3.500 -9.802 702 H PHE 30 H PHE 30 -2.393 0.988 -7.810 703 HA PHE 30 HA PHE 30 -4.160 -1.172 -8.164 704 1HB PHE 30 2HB PHE 30 -1.413 -0.943 -6.900 705 2HB PHE 30 1HB PHE 30 -2.250 -2.467 -7.182 706 HD1 PHE 30 1HD PHE 30 -3.422 -2.373 -9.831 707 HD2 PHE 30 2HD PHE 30 0.289 -0.565 -8.501 708 HE1 PHE 30 1HE PHE 30 -2.608 -2.257 -12.136 709 HE2 PHE 30 2HE PHE 30 1.048 -0.485 -10.817 710 HZ PHE 30 HZ PHE 30 -0.382 -1.337 -12.646 711 H ILE 31 H ILE 31 -2.952 0.569 -5.295 712 HA ILE 31 HA ILE 31 -4.087 -1.075 -3.309 713 HB ILE 31 HB ILE 31 -3.487 1.901 -3.321 714 1HG1 ILE 31 2HG1 ILE 31 -1.985 -0.356 -1.973 715 2HG1 ILE 31 1HG1 ILE 31 -1.574 0.212 -3.581 716 1HG2 ILE 31 1HG2 ILE 31 -3.515 1.615 -0.803 717 2HG2 ILE 31 2HG2 ILE 31 -4.280 0.048 -1.064 718 3HG2 ILE 31 3HG2 ILE 31 -5.102 1.521 -1.570 719 1HD1 ILE 31 1HD1 ILE 31 -0.155 1.369 -1.949 720 2HD1 ILE 31 2HD1 ILE 31 -1.583 1.869 -1.033 721 3HD1 ILE 31 3HD1 ILE 31 -1.301 2.518 -2.652 722 H ASN 32 H ASN 32 -5.310 1.829 -4.924 723 HA ASN 32 HA ASN 32 -7.783 2.025 -3.649 724 1HB ASN 32 2HB ASN 32 -6.688 3.697 -5.196 725 2HB ASN 32 1HB ASN 32 -7.229 2.704 -6.543 726 1HD2 ASN 32 1HD2 ASN 32 -8.384 4.874 -6.983 727 2HD2 ASN 32 2HD2 ASN 32 -9.932 5.067 -6.315 728 H SER 33 H SER 33 -6.752 -0.118 -6.290 729 HA SER 33 HA SER 33 -9.311 -0.894 -7.194 730 1HB SER 33 2HB SER 33 -6.915 -2.601 -7.118 731 2HB SER 33 1HB SER 33 -8.231 -2.675 -8.274 732 HG SER 33 HG SER 33 -6.361 -0.551 -7.946 733 H LEU 34 H LEU 34 -7.150 -2.031 -4.682 734 HA LEU 34 HA LEU 34 -8.585 -4.375 -4.000 735 1HB LEU 34 2HB LEU 34 -7.100 -2.802 -1.917 736 2HB LEU 34 1HB LEU 34 -7.166 -4.540 -2.156 737 HG LEU 34 HG LEU 34 -5.698 -2.562 -3.917 738 1HD1 LEU 34 1HD1 LEU 34 -4.775 -3.279 -1.607 739 2HD1 LEU 34 2HD1 LEU 34 -3.711 -3.281 -3.018 740 3HD1 LEU 34 3HD1 LEU 34 -4.399 -4.803 -2.420 741 1HD2 LEU 34 1HD2 LEU 34 -5.201 -5.448 -4.216 742 2HD2 LEU 34 2HD2 LEU 34 -5.329 -4.189 -5.430 743 3HD2 LEU 34 3HD2 LEU 34 -6.782 -4.899 -4.758 744 H ARG 35 H ARG 35 -8.654 -1.048 -3.078 745 HA ARG 35 HA ARG 35 -10.671 -1.082 -1.064 746 1HB ARG 35 2HB ARG 35 -9.112 0.835 -2.457 747 2HB ARG 35 1HB ARG 35 -10.787 1.284 -2.739 748 1HG ARG 35 2HG ARG 35 -11.031 2.032 -0.629 749 2HG ARG 35 1HG ARG 35 -10.334 0.566 0.055 750 1HD ARG 35 2HD ARG 35 -8.073 1.617 -0.851 751 2HD ARG 35 1HD ARG 35 -8.991 3.117 -0.747 752 HE ARG 35 HE ARG 35 -7.952 1.600 1.447 753 1HH1 ARG 35 1HH2 ARG 35 -8.278 4.530 1.621 754 2HH1 ARG 35 2HH2 ARG 35 -9.647 4.719 2.664 755 1HH2 ARG 35 1HH1 ARG 35 -10.720 1.450 2.278 756 2HH2 ARG 35 2HH1 ARG 35 -11.028 2.976 3.037 757 H ASP 36 H ASP 36 -10.749 -0.665 -4.557 758 HA ASP 36 HA ASP 36 -13.535 -0.303 -4.874 759 1HB ASP 36 2HB ASP 36 -11.431 -1.379 -6.782 760 2HB ASP 36 1HB ASP 36 -13.056 -0.882 -7.253 761 H ASP 37 H ASP 37 -11.450 -3.135 -4.835 762 HA ASP 37 HA ASP 37 -13.537 -4.909 -4.039 763 1HB ASP 37 2HB ASP 37 -12.913 -4.701 -6.920 764 2HB ASP 37 1HB ASP 37 -12.867 -6.339 -6.276 765 HA PRO 38 HA PRO 38 -9.520 -6.389 -2.693 766 1HB PRO 38 2HB PRO 38 -10.872 -7.981 -0.724 767 2HB PRO 38 1HB PRO 38 -9.915 -6.522 -0.487 768 1HG PRO 38 2HG PRO 38 -12.646 -6.751 -0.130 769 2HG PRO 38 1HG PRO 38 -11.736 -5.241 -0.286 770 1HD PRO 38 2HD PRO 38 -13.449 -6.612 -2.280 771 2HD PRO 38 1HD PRO 38 -13.018 -4.892 -2.135 772 H SER 39 H SER 39 -12.149 -8.023 -4.040 773 HA SER 39 HA SER 39 -11.446 -10.728 -3.734 774 1HB SER 39 2HB SER 39 -13.662 -9.930 -4.530 775 2HB SER 39 1HB SER 39 -12.912 -9.414 -6.038 776 HG SER 39 HG SER 39 -13.801 -11.503 -6.221 777 H GLN 40 H GLN 40 -10.624 -8.317 -6.221 778 HA GLN 40 HA GLN 40 -8.778 -10.247 -7.377 779 1HB GLN 40 2HB GLN 40 -9.095 -7.772 -8.888 780 2HB GLN 40 1HB GLN 40 -9.194 -9.428 -9.413 781 1HG GLN 40 2HG GLN 40 -11.392 -8.906 -9.743 782 2HG GLN 40 1HG GLN 40 -11.521 -9.309 -8.037 783 1HE2 GLN 40 1HE2 GLN 40 -9.983 -6.779 -7.284 784 2HE2 GLN 40 2HE2 GLN 40 -11.106 -5.524 -7.485 785 H SER 41 H SER 41 -8.176 -8.733 -4.885 786 HA SER 41 HA SER 41 -6.459 -6.604 -5.427 787 1HB SER 41 2HB SER 41 -6.334 -8.696 -3.232 788 2HB SER 41 1HB SER 41 -5.344 -7.242 -3.247 789 HG SER 41 HG SER 41 -7.455 -6.121 -3.465 790 H ALA 42 H ALA 42 -6.025 -10.001 -5.579 791 HA ALA 42 HA ALA 42 -3.203 -10.073 -5.968 792 1HB ALA 42 1HB ALA 42 -4.668 -11.969 -5.181 793 2HB ALA 42 2HB ALA 42 -3.560 -12.388 -6.489 794 3HB ALA 42 3HB ALA 42 -5.268 -12.099 -6.837 795 H ASN 43 H ASN 43 -5.990 -9.645 -8.022 796 HA ASN 43 HA ASN 43 -4.845 -10.290 -10.519 797 1HB ASN 43 2HB ASN 43 -7.272 -10.077 -9.816 798 2HB ASN 43 1HB ASN 43 -7.048 -8.348 -10.091 799 1HD2 ASN 43 1HD2 ASN 43 -6.067 -7.822 -12.360 800 2HD2 ASN 43 2HD2 ASN 43 -6.611 -8.765 -13.661 801 H LEU 44 H LEU 44 -5.614 -7.136 -9.054 802 HA LEU 44 HA LEU 44 -4.169 -5.862 -11.114 803 1HB LEU 44 2HB LEU 44 -4.848 -3.783 -10.295 804 2HB LEU 44 1HB LEU 44 -6.210 -4.865 -10.162 805 HG LEU 44 HG LEU 44 -5.832 -3.293 -8.309 806 1HD1 LEU 44 1HD1 LEU 44 -5.767 -6.071 -7.234 807 2HD1 LEU 44 2HD1 LEU 44 -7.080 -5.595 -8.310 808 3HD1 LEU 44 3HD1 LEU 44 -6.835 -4.721 -6.791 809 1HD2 LEU 44 1HD2 LEU 44 -3.872 -5.131 -7.109 810 2HD2 LEU 44 2HD2 LEU 44 -4.167 -3.422 -6.802 811 3HD2 LEU 44 3HD2 LEU 44 -3.294 -3.905 -8.239 812 H LEU 45 H LEU 45 -3.514 -7.141 -8.036 813 HA LEU 45 HA LEU 45 -1.044 -5.826 -7.500 814 1HB LEU 45 2HB LEU 45 -1.749 -7.169 -5.692 815 2HB LEU 45 1HB LEU 45 -2.276 -8.468 -6.752 816 HG LEU 45 HG LEU 45 0.071 -8.997 -7.289 817 1HD1 LEU 45 1HD1 LEU 45 0.928 -6.676 -6.936 818 2HD1 LEU 45 2HD1 LEU 45 1.885 -7.904 -6.118 819 3HD1 LEU 45 3HD1 LEU 45 0.745 -6.919 -5.202 820 1HD2 LEU 45 1HD2 LEU 45 0.492 -9.168 -4.473 821 2HD2 LEU 45 2HD2 LEU 45 -0.060 -10.426 -5.575 822 3HD2 LEU 45 3HD2 LEU 45 -1.230 -9.384 -4.774 823 H ALA 46 H ALA 46 -2.284 -8.396 -9.432 824 HA ALA 46 HA ALA 46 0.162 -9.445 -10.449 825 1HB ALA 46 1HB ALA 46 -2.608 -10.003 -10.752 826 2HB ALA 46 2HB ALA 46 -1.260 -10.903 -11.455 827 3HB ALA 46 3HB ALA 46 -2.018 -9.598 -12.365 828 H GLU 47 H GLU 47 -2.136 -6.987 -11.482 829 HA GLU 47 HA GLU 47 -0.918 -6.156 -13.873 830 1HB GLU 47 2HB GLU 47 -2.623 -4.624 -11.888 831 2HB GLU 47 1HB GLU 47 -2.138 -3.994 -13.454 832 1HG GLU 47 2HG GLU 47 -3.830 -6.436 -12.924 833 2HG GLU 47 1HG GLU 47 -4.378 -4.893 -13.562 834 H ALA 48 H ALA 48 -0.362 -5.411 -10.497 835 HA ALA 48 HA ALA 48 1.299 -3.129 -10.871 836 1HB ALA 48 1HB ALA 48 0.221 -4.776 -8.758 837 2HB ALA 48 2HB ALA 48 0.766 -3.099 -8.699 838 3HB ALA 48 3HB ALA 48 1.922 -4.413 -8.463 839 H LYS 49 H LYS 49 1.863 -6.499 -10.060 840 HA LYS 49 HA LYS 49 4.679 -6.382 -10.037 841 1HB LYS 49 2HB LYS 49 2.656 -8.557 -10.390 842 2HB LYS 49 1HB LYS 49 4.376 -8.914 -10.534 843 1HG LYS 49 2HG LYS 49 4.623 -7.760 -8.259 844 2HG LYS 49 1HG LYS 49 2.864 -7.851 -8.151 845 1HD LYS 49 2HD LYS 49 4.635 -10.257 -8.684 846 2HD LYS 49 1HD LYS 49 4.092 -9.795 -7.079 847 1HE LYS 49 2HE LYS 49 1.703 -9.812 -8.213 848 2HE LYS 49 1HE LYS 49 2.495 -10.869 -9.378 849 1HZ LYS 49 1HZ LYS 49 1.540 -12.170 -7.617 850 2HZ LYS 49 2HZ LYS 49 2.366 -11.266 -6.438 851 3HZ LYS 49 3HZ LYS 49 3.231 -12.257 -7.514 852 H LYS 50 H LYS 50 2.299 -6.786 -12.530 853 HA LYS 50 HA LYS 50 4.046 -7.327 -14.721 854 1HB LYS 50 2HB LYS 50 1.212 -6.382 -14.484 855 2HB LYS 50 1HB LYS 50 2.019 -6.504 -16.043 856 1HG LYS 50 2HG LYS 50 2.285 -8.855 -15.856 857 2HG LYS 50 1HG LYS 50 1.954 -8.842 -14.126 858 1HD LYS 50 2HD LYS 50 0.016 -9.704 -15.411 859 2HD LYS 50 1HD LYS 50 -0.392 -8.217 -14.560 860 1HE LYS 50 2HE LYS 50 -0.181 -6.914 -16.583 861 2HE LYS 50 1HE LYS 50 0.485 -8.291 -17.462 862 1HZ LYS 50 1HZ LYS 50 -1.801 -8.105 -18.017 863 2HZ LYS 50 2HZ LYS 50 -2.265 -7.997 -16.385 864 3HZ LYS 50 3HZ LYS 50 -1.647 -9.456 -17.002 865 H LEU 51 H LEU 51 2.614 -4.425 -13.299 866 HA LEU 51 HA LEU 51 3.522 -2.637 -15.333 867 1HB LEU 51 2HB LEU 51 2.123 -2.426 -12.782 868 2HB LEU 51 1HB LEU 51 3.311 -1.144 -12.982 869 HG LEU 51 HG LEU 51 1.030 -0.621 -13.901 870 1HD1 LEU 51 1HD1 LEU 51 2.595 0.823 -14.752 871 2HD1 LEU 51 2HD1 LEU 51 2.163 -0.004 -16.253 872 3HD1 LEU 51 3HD1 LEU 51 3.623 -0.481 -15.376 873 1HD2 LEU 51 1HD2 LEU 51 1.381 -1.960 -16.429 874 2HD2 LEU 51 2HD2 LEU 51 0.028 -2.084 -15.303 875 3HD2 LEU 51 3HD2 LEU 51 1.409 -3.170 -15.144 876 H ASN 52 H ASN 52 4.721 -3.736 -12.272 877 HA ASN 52 HA ASN 52 7.043 -2.116 -12.145 878 1HB ASN 52 2HB ASN 52 6.381 -3.293 -10.172 879 2HB ASN 52 1HB ASN 52 6.364 -4.836 -11.010 880 1HD2 ASN 52 1HD2 ASN 52 8.519 -5.621 -11.799 881 2HD2 ASN 52 2HD2 ASN 52 9.911 -5.217 -10.918 882 H ASP 53 H ASP 53 6.180 -5.180 -13.565 883 HA ASP 53 HA ASP 53 8.767 -5.834 -14.603 884 1HB ASP 53 2HB ASP 53 5.986 -6.721 -15.404 885 2HB ASP 53 1HB ASP 53 7.451 -7.368 -16.126 886 H ALA 54 H ALA 54 6.015 -4.001 -15.722 887 HA ALA 54 HA ALA 54 6.791 -3.618 -18.414 888 1HB ALA 54 1HB ALA 54 4.997 -2.142 -18.536 889 2HB ALA 54 2HB ALA 54 5.190 -1.613 -16.866 890 3HB ALA 54 3HB ALA 54 4.520 -3.207 -17.214 891 H GLN 55 H GLN 55 7.396 -1.835 -15.422 892 HA GLN 55 HA GLN 55 8.950 0.213 -16.803 893 1HB GLN 55 2HB GLN 55 8.208 -0.214 -13.949 894 2HB GLN 55 1HB GLN 55 9.153 1.150 -14.511 895 1HG GLN 55 2HG GLN 55 7.351 2.106 -15.614 896 2HG GLN 55 1HG GLN 55 6.545 0.555 -15.851 897 1HE2 GLN 55 1HE2 GLN 55 6.120 -0.545 -13.505 898 2HE2 GLN 55 2HE2 GLN 55 5.338 0.491 -12.413 899 H ALA 56 H ALA 56 9.513 -2.851 -15.602 900 HA ALA 56 HA ALA 56 12.014 -2.538 -14.288 901 1HB ALA 56 1HB ALA 56 10.660 -4.606 -14.121 902 2HB ALA 56 2HB ALA 56 12.307 -4.935 -14.653 903 3HB ALA 56 3HB ALA 56 10.990 -4.938 -15.821 904 HA PRO 57 HA PRO 57 14.789 -2.103 -17.623 905 1HB PRO 57 2HB PRO 57 16.893 -3.631 -16.378 906 2HB PRO 57 1HB PRO 57 16.660 -1.878 -16.362 907 1HG PRO 57 2HG PRO 57 16.454 -3.482 -14.158 908 2HG PRO 57 1HG PRO 57 15.673 -1.900 -14.329 909 1HD PRO 57 2HD PRO 57 14.504 -4.633 -14.748 910 2HD PRO 57 1HD PRO 57 13.797 -3.217 -13.932 911 H LYS 58 H LYS 58 16.429 -3.359 -19.007 912 HA LYS 58 HA LYS 58 15.530 -6.113 -19.506 913 1HB LYS 58 2HB LYS 58 15.711 -3.803 -21.357 914 2HB LYS 58 1HB LYS 58 16.005 -5.410 -21.981 915 1HG LYS 58 2HG LYS 58 13.722 -5.371 -22.276 916 2HG LYS 58 1HG LYS 58 13.739 -5.904 -20.597 917 1HD LYS 58 2HD LYS 58 13.746 -3.346 -20.035 918 2HD LYS 58 1HD LYS 58 13.196 -3.147 -21.696 919 1HE LYS 58 2HE LYS 58 11.183 -3.305 -20.487 920 2HE LYS 58 1HE LYS 58 11.413 -4.947 -21.086 921 1HZ LYS 58 1HZ LYS 58 11.067 -5.399 -18.907 922 2HZ LYS 58 2HZ LYS 58 11.660 -3.901 -18.371 923 3HZ LYS 58 3HZ LYS 58 12.739 -5.132 -18.824 Start of MODEL 4 1 1H VAL 1 1HT VAL 1 9.349 -18.359 5.181 2 2H VAL 1 2HT VAL 1 7.776 -18.454 5.820 3 3H VAL 1 3HT VAL 1 8.878 -17.314 6.431 4 HA VAL 1 HA VAL 1 8.881 -16.109 4.374 5 HB VAL 1 HB VAL 1 7.202 -16.854 2.601 6 1HG1 VAL 1 1HG1 VAL 1 8.745 -18.477 1.609 7 2HG1 VAL 1 2HG1 VAL 1 9.503 -18.749 3.177 8 3HG1 VAL 1 3HG1 VAL 1 9.657 -17.182 2.383 9 1HG2 VAL 1 1HG2 VAL 1 6.439 -19.150 2.616 10 2HG2 VAL 1 2HG2 VAL 1 5.987 -18.443 4.166 11 3HG2 VAL 1 3HG2 VAL 1 7.385 -19.514 4.059 12 H ASP 2 H ASP 2 7.805 -15.869 6.896 13 HA ASP 2 HA ASP 2 5.027 -15.554 7.104 14 1HB ASP 2 2HB ASP 2 7.215 -13.977 8.488 15 2HB ASP 2 1HB ASP 2 5.533 -14.075 9.006 16 H ASN 3 H ASN 3 7.523 -13.374 5.895 17 HA ASN 3 HA ASN 3 7.444 -11.379 4.771 18 1HB ASN 3 2HB ASN 3 5.384 -13.072 3.708 19 2HB ASN 3 1HB ASN 3 4.778 -11.422 3.712 20 1HD2 ASN 3 1HD2 ASN 3 8.146 -12.613 3.206 21 2HD2 ASN 3 2HD2 ASN 3 8.308 -11.920 1.666 22 H LYS 4 H LYS 4 6.771 -11.306 7.516 23 HA LYS 4 HA LYS 4 4.452 -9.876 8.170 24 1HB LYS 4 2HB LYS 4 5.949 -10.945 9.822 25 2HB LYS 4 1HB LYS 4 7.187 -9.742 9.470 26 1HG LYS 4 2HG LYS 4 4.922 -8.198 10.019 27 2HG LYS 4 1HG LYS 4 4.808 -9.525 11.169 28 1HD LYS 4 2HD LYS 4 6.139 -7.985 12.329 29 2HD LYS 4 1HD LYS 4 7.338 -9.056 11.606 30 1HE LYS 4 2HE LYS 4 7.970 -6.691 11.285 31 2HE LYS 4 1HE LYS 4 7.639 -7.464 9.737 32 1HZ LYS 4 1HZ LYS 4 5.436 -6.118 11.126 33 2HZ LYS 4 2HZ LYS 4 5.712 -6.306 9.460 34 3HZ LYS 4 3HZ LYS 4 6.597 -5.157 10.347 35 H PHE 5 H PHE 5 7.690 -8.714 7.250 36 HA PHE 5 HA PHE 5 7.157 -5.980 7.567 37 1HB PHE 5 2HB PHE 5 9.246 -5.593 6.668 38 2HB PHE 5 1HB PHE 5 9.426 -7.261 7.195 39 HD1 PHE 5 1HD PHE 5 9.335 -4.992 4.352 40 HD2 PHE 5 2HD PHE 5 9.187 -9.134 5.508 41 HE1 PHE 5 1HE PHE 5 9.852 -5.665 2.023 42 HE2 PHE 5 2HE PHE 5 9.705 -9.800 3.177 43 HZ PHE 5 HZ PHE 5 10.039 -8.064 1.436 44 H ASN 6 H ASN 6 6.779 -8.159 4.785 45 HA ASN 6 HA ASN 6 6.046 -6.175 2.891 46 1HB ASN 6 2HB ASN 6 6.743 -8.480 2.303 47 2HB ASN 6 1HB ASN 6 5.248 -9.084 3.011 48 1HD2 ASN 6 1HD2 ASN 6 4.454 -9.892 0.982 49 2HD2 ASN 6 2HD2 ASN 6 3.939 -8.846 -0.258 50 H LYS 7 H LYS 7 4.199 -8.308 5.032 51 HA LYS 7 HA LYS 7 1.635 -7.510 4.185 52 1HB LYS 7 2HB LYS 7 2.249 -9.542 5.619 53 2HB LYS 7 1HB LYS 7 2.354 -8.428 6.981 54 1HG LYS 7 2HG LYS 7 0.045 -7.817 6.776 55 2HG LYS 7 1HG LYS 7 -0.096 -8.621 5.214 56 1HD LYS 7 2HD LYS 7 0.812 -10.368 7.425 57 2HD LYS 7 1HD LYS 7 -0.833 -9.755 7.593 58 1HE LYS 7 2HE LYS 7 -1.349 -10.562 5.293 59 2HE LYS 7 1HE LYS 7 0.285 -11.218 5.185 60 1HZ LYS 7 1HZ LYS 7 -1.537 -12.796 5.894 61 2HZ LYS 7 2HZ LYS 7 -1.556 -11.961 7.374 62 3HZ LYS 7 3HZ LYS 7 -0.146 -12.760 6.863 63 H GLU 8 H GLU 8 3.874 -6.378 6.664 64 HA GLU 8 HA GLU 8 2.146 -4.365 7.681 65 1HB GLU 8 2HB GLU 8 3.972 -5.285 9.011 66 2HB GLU 8 1HB GLU 8 5.151 -4.637 7.874 67 1HG GLU 8 2HG GLU 8 4.237 -2.330 8.388 68 2HG GLU 8 1HG GLU 8 3.255 -3.066 9.651 69 H LEU 9 H LEU 9 4.616 -4.454 5.225 70 HA LEU 9 HA LEU 9 4.821 -1.674 4.635 71 1HB LEU 9 2HB LEU 9 6.452 -3.265 3.778 72 2HB LEU 9 1HB LEU 9 5.198 -4.149 2.918 73 HG LEU 9 HG LEU 9 4.745 -1.927 1.677 74 1HD1 LEU 9 1HD1 LEU 9 6.061 -0.165 2.007 75 2HD1 LEU 9 2HD1 LEU 9 7.513 -1.112 1.855 76 3HD1 LEU 9 3HD1 LEU 9 6.725 -0.964 3.433 77 1HD2 LEU 9 1HD2 LEU 9 5.719 -3.780 0.549 78 2HD2 LEU 9 2HD2 LEU 9 7.277 -3.524 1.334 79 3HD2 LEU 9 3HD2 LEU 9 6.680 -2.362 0.146 80 H GLY 10 H GLY 10 2.681 -4.253 3.505 81 1HA GLY 10 2HA GLY 10 1.206 -2.544 1.769 82 2HA GLY 10 1HA GLY 10 0.777 -4.180 2.254 83 H TRP 11 H TRP 11 0.769 -3.934 5.014 84 HA TRP 11 HA TRP 11 -1.770 -2.882 5.339 85 1HB TRP 11 2HB TRP 11 -0.445 -4.641 6.809 86 2HB TRP 11 1HB TRP 11 -0.199 -3.201 7.796 87 HD1 TRP 11 HD TRP 11 -1.879 -3.769 9.656 88 HE1 TRP 11 1HE TRP 11 -4.444 -3.971 9.767 89 HE3 TRP 11 3HE TRP 11 -3.085 -3.721 4.660 90 HZ2 TRP 11 2HZ TRP 11 -6.692 -4.020 8.027 91 HZ3 TRP 11 3HZ TRP 11 -5.403 -3.804 3.927 92 HH2 TRP 11 HH TRP 11 -7.240 -3.970 5.604 93 H ALA 12 H ALA 12 1.296 -1.604 6.420 94 HA ALA 12 HA ALA 12 0.204 0.624 7.673 95 1HB ALA 12 1HB ALA 12 2.505 1.661 7.115 96 2HB ALA 12 2HB ALA 12 2.871 0.113 6.362 97 3HB ALA 12 3HB ALA 12 2.501 0.184 8.082 98 H THR 13 H THR 13 1.106 -0.047 4.309 99 HA THR 13 HA THR 13 0.692 2.468 3.137 100 HB THR 13 HB THR 13 0.709 -0.348 2.265 101 HG1 THR 13 1HG THR 13 1.694 2.058 1.180 102 1HG2 THR 13 1HG2 THR 13 -0.124 0.253 0.000 103 2HG2 THR 13 2HG2 THR 13 -0.645 1.813 0.633 104 3HG2 THR 13 3HG2 THR 13 -1.396 0.325 1.222 105 H TRP 14 H TRP 14 -1.527 -0.195 3.753 106 HA TRP 14 HA TRP 14 -3.863 0.994 2.715 107 1HB TRP 14 2HB TRP 14 -3.368 -1.437 3.305 108 2HB TRP 14 1HB TRP 14 -3.770 -1.004 4.957 109 HD1 TRP 14 HD TRP 14 -6.242 -0.933 5.582 110 HE1 TRP 14 1HE TRP 14 -8.447 -1.208 4.289 111 HE3 TRP 14 3HE TRP 14 -4.485 -0.783 0.765 112 HZ2 TRP 14 2HZ TRP 14 -9.334 -1.352 1.588 113 HZ3 TRP 14 3HZ TRP 14 -6.030 -0.997 -1.102 114 HH2 TRP 14 HH TRP 14 -8.414 -1.283 -0.699 115 H GLU 15 H GLU 15 -2.614 0.780 6.038 116 HA GLU 15 HA GLU 15 -4.793 2.044 7.293 117 1HB GLU 15 2HB GLU 15 -1.877 1.833 8.077 118 2HB GLU 15 1HB GLU 15 -3.150 2.428 9.147 119 1HG GLU 15 2HG GLU 15 -4.297 0.322 9.113 120 2HG GLU 15 1HG GLU 15 -3.317 -0.279 7.780 121 H ILE 16 H ILE 16 -1.853 3.299 5.808 122 HA ILE 16 HA ILE 16 -2.284 6.068 6.492 123 HB ILE 16 HB ILE 16 -0.647 4.731 4.278 124 1HG1 ILE 16 2HG1 ILE 16 0.355 5.959 6.847 125 2HG1 ILE 16 1HG1 ILE 16 -0.023 4.260 6.720 126 1HG2 ILE 16 1HG2 ILE 16 -0.322 6.791 3.441 127 2HG2 ILE 16 2HG2 ILE 16 0.493 7.212 4.941 128 3HG2 ILE 16 3HG2 ILE 16 -1.230 7.533 4.757 129 1HD1 ILE 16 1HD1 ILE 16 2.440 5.301 6.181 130 2HD1 ILE 16 2HD1 ILE 16 1.720 5.339 4.564 131 3HD1 ILE 16 3HD1 ILE 16 1.832 3.816 5.454 132 H PHE 17 H PHE 17 -3.118 3.884 3.877 133 HA PHE 17 HA PHE 17 -4.218 5.691 1.979 134 1HB PHE 17 2HB PHE 17 -3.633 3.041 2.011 135 2HB PHE 17 1HB PHE 17 -5.357 2.956 2.257 136 HD1 PHE 17 1HD PHE 17 -2.685 4.138 -0.040 137 HD2 PHE 17 2HD PHE 17 -6.883 3.413 0.486 138 HE1 PHE 17 1HE PHE 17 -3.010 4.326 -2.487 139 HE2 PHE 17 2HE PHE 17 -7.229 3.613 -1.955 140 HZ PHE 17 HZ PHE 17 -5.285 4.063 -3.437 141 H ASN 18 H ASN 18 -5.522 3.892 4.707 142 HA ASN 18 HA ASN 18 -8.253 4.781 4.256 143 1HB ASN 18 2HB ASN 18 -6.963 2.964 6.296 144 2HB ASN 18 1HB ASN 18 -8.669 3.395 6.344 145 1HD2 ASN 18 1HD2 ASN 18 -6.435 2.427 3.659 146 2HD2 ASN 18 2HD2 ASN 18 -7.464 1.215 3.064 147 H LEU 19 H LEU 19 -5.677 6.381 5.619 148 HA LEU 19 HA LEU 19 -6.844 7.187 8.073 149 1HB LEU 19 2HB LEU 19 -4.505 8.025 6.504 150 2HB LEU 19 1HB LEU 19 -5.200 9.286 7.515 151 HG LEU 19 HG LEU 19 -4.330 6.529 8.465 152 1HD1 LEU 19 1HD1 LEU 19 -2.978 9.022 8.097 153 2HD1 LEU 19 2HD1 LEU 19 -2.331 7.487 8.672 154 3HD1 LEU 19 3HD1 LEU 19 -3.041 8.631 9.799 155 1HD2 LEU 19 1HD2 LEU 19 -4.679 8.485 10.556 156 2HD2 LEU 19 2HD2 LEU 19 -5.467 6.912 10.367 157 3HD2 LEU 19 3HD2 LEU 19 -6.176 8.345 9.639 158 HA PRO 20 HA PRO 20 -9.867 9.848 6.219 159 1HB PRO 20 2HB PRO 20 -10.607 10.851 8.828 160 2HB PRO 20 1HB PRO 20 -11.436 9.643 7.834 161 1HG PRO 20 2HG PRO 20 -10.214 9.112 10.205 162 2HG PRO 20 1HG PRO 20 -10.450 7.915 8.921 163 1HD PRO 20 2HD PRO 20 -7.997 9.508 9.579 164 2HD PRO 20 1HD PRO 20 -8.140 7.796 9.152 165 H ASN 21 H ASN 21 -6.965 11.143 7.054 166 HA ASN 21 HA ASN 21 -8.074 13.872 6.638 167 1HB ASN 21 2HB ASN 21 -6.242 13.189 8.926 168 2HB ASN 21 1HB ASN 21 -6.687 14.816 8.445 169 1HD2 ASN 21 1HD2 ASN 21 -7.846 11.899 10.032 170 2HD2 ASN 21 2HD2 ASN 21 -9.322 12.554 10.551 171 H LEU 22 H LEU 22 -5.747 11.632 5.802 172 HA LEU 22 HA LEU 22 -3.635 13.524 5.184 173 1HB LEU 22 2HB LEU 22 -4.006 10.661 4.299 174 2HB LEU 22 1HB LEU 22 -2.540 11.623 4.100 175 HG LEU 22 HG LEU 22 -3.822 10.896 6.753 176 1HD1 LEU 22 1HD1 LEU 22 -1.462 9.730 6.869 177 2HD1 LEU 22 2HD1 LEU 22 -1.595 9.755 5.112 178 3HD1 LEU 22 3HD1 LEU 22 -2.819 8.935 6.074 179 1HD2 LEU 22 1HD2 LEU 22 -1.365 11.693 7.403 180 2HD2 LEU 22 2HD2 LEU 22 -2.691 12.849 7.280 181 3HD2 LEU 22 3HD2 LEU 22 -1.544 12.662 5.945 182 H ASN 23 H ASN 23 -2.938 14.125 3.090 183 HA ASN 23 HA ASN 23 -5.144 14.157 1.133 184 1HB ASN 23 2HB ASN 23 -4.075 16.022 0.090 185 2HB ASN 23 1HB ASN 23 -4.069 16.333 1.820 186 1HD2 ASN 23 1HD2 ASN 23 -2.205 17.402 -0.263 187 2HD2 ASN 23 2HD2 ASN 23 -0.653 16.930 0.235 188 H GLY 24 H GLY 24 -4.495 13.899 -1.171 189 1HA GLY 24 2HA GLY 24 -3.551 11.391 -1.717 190 2HA GLY 24 1HA GLY 24 -3.517 12.705 -2.883 191 H VAL 25 H VAL 25 -1.616 14.336 -1.373 192 HA VAL 25 HA VAL 25 0.796 13.150 -2.378 193 HB VAL 25 HB VAL 25 0.316 15.683 -0.814 194 1HG1 VAL 25 1HG1 VAL 25 2.593 15.197 -0.409 195 2HG1 VAL 25 2HG1 VAL 25 2.657 16.185 -1.868 196 3HG1 VAL 25 3HG1 VAL 25 2.798 14.429 -1.984 197 1HG2 VAL 25 1HG2 VAL 25 0.638 14.947 -3.732 198 2HG2 VAL 25 2HG2 VAL 25 0.889 16.601 -3.160 199 3HG2 VAL 25 3HG2 VAL 25 -0.688 15.833 -2.975 200 H GLN 26 H GLN 26 -0.299 13.942 0.978 201 HA GLN 26 HA GLN 26 2.039 12.979 2.191 202 1HB GLN 26 2HB GLN 26 -0.700 13.597 3.121 203 2HB GLN 26 1HB GLN 26 0.289 12.574 4.155 204 1HG GLN 26 2HG GLN 26 1.776 14.241 4.650 205 2HG GLN 26 1HG GLN 26 1.687 14.938 3.028 206 1HE2 GLN 26 1HE2 GLN 26 -0.235 14.600 6.001 207 2HE2 GLN 26 2HE2 GLN 26 -1.029 16.091 5.846 208 H VAL 27 H VAL 27 -0.998 11.330 1.395 209 HA VAL 27 HA VAL 27 -0.297 8.832 2.553 210 HB VAL 27 HB VAL 27 -2.078 9.351 0.147 211 1HG1 VAL 27 1HG1 VAL 27 -3.105 7.179 0.838 212 2HG1 VAL 27 2HG1 VAL 27 -1.834 6.997 2.048 213 3HG1 VAL 27 3HG1 VAL 27 -1.426 6.998 0.332 214 1HG2 VAL 27 1HG2 VAL 27 -2.744 9.112 3.104 215 2HG2 VAL 27 2HG2 VAL 27 -3.920 9.279 1.801 216 3HG2 VAL 27 3HG2 VAL 27 -2.808 10.598 2.157 217 H LYS 28 H LYS 28 0.087 10.179 -0.686 218 HA LYS 28 HA LYS 28 1.365 7.986 -1.912 219 1HB LYS 28 2HB LYS 28 0.389 9.949 -3.121 220 2HB LYS 28 1HB LYS 28 1.707 10.953 -2.523 221 1HG LYS 28 2HG LYS 28 3.310 9.348 -3.662 222 2HG LYS 28 1HG LYS 28 1.903 8.558 -4.381 223 1HD LYS 28 2HD LYS 28 1.222 10.729 -5.385 224 2HD LYS 28 1HD LYS 28 2.672 11.476 -4.719 225 1HE LYS 28 2HE LYS 28 4.105 10.079 -6.063 226 2HE LYS 28 1HE LYS 28 2.742 9.090 -6.584 227 1HZ LYS 28 1HZ LYS 28 3.021 10.523 -8.344 228 2HZ LYS 28 2HZ LYS 28 3.437 11.843 -7.356 229 3HZ LYS 28 3HZ LYS 28 1.822 11.321 -7.446 230 H ALA 29 H ALA 29 2.563 10.617 0.076 231 HA ALA 29 HA ALA 29 5.331 10.192 -0.392 232 1HB ALA 29 1HB ALA 29 4.271 12.289 0.520 233 2HB ALA 29 2HB ALA 29 5.691 11.714 1.393 234 3HB ALA 29 3HB ALA 29 4.078 11.420 2.041 235 H PHE 30 H PHE 30 3.079 9.196 2.126 236 HA PHE 30 HA PHE 30 4.975 7.889 3.711 237 1HB PHE 30 2HB PHE 30 2.000 7.449 3.454 238 2HB PHE 30 1HB PHE 30 3.019 6.776 4.725 239 HD1 PHE 30 1HD PHE 30 0.643 9.157 4.407 240 HD2 PHE 30 2HD PHE 30 4.818 8.924 5.497 241 HE1 PHE 30 1HE PHE 30 0.435 11.228 5.719 242 HE2 PHE 30 2HE PHE 30 4.579 11.014 6.776 243 HZ PHE 30 HZ PHE 30 2.396 12.149 6.886 244 H ILE 31 H ILE 31 2.938 6.961 0.994 245 HA ILE 31 HA ILE 31 3.647 4.223 1.029 246 HB ILE 31 HB ILE 31 2.550 5.999 -1.147 247 1HG1 ILE 31 2HG1 ILE 31 1.347 3.714 0.452 248 2HG1 ILE 31 1HG1 ILE 31 1.069 5.421 0.768 249 1HG2 ILE 31 1HG2 ILE 31 3.908 3.492 -1.532 250 2HG2 ILE 31 2HG2 ILE 31 3.002 4.428 -2.714 251 3HG2 ILE 31 3HG2 ILE 31 2.186 3.206 -1.748 252 1HD1 ILE 31 1HD1 ILE 31 0.057 5.697 -1.437 253 2HD1 ILE 31 2HD1 ILE 31 -0.754 4.399 -0.566 254 3HD1 ILE 31 3HD1 ILE 31 0.412 4.014 -1.827 255 H ASP 32 H ASP 32 4.900 7.065 -0.616 256 HA ASP 32 HA ASP 32 6.842 5.780 -2.171 257 1HB ASP 32 2HB ASP 32 6.158 8.157 -2.461 258 2HB ASP 32 1HB ASP 32 7.008 8.553 -0.970 259 H SER 33 H SER 33 6.950 7.066 1.061 260 HA SER 33 HA SER 33 9.686 6.540 1.622 261 1HB SER 33 2HB SER 33 7.290 6.840 3.459 262 2HB SER 33 1HB SER 33 8.978 6.824 3.987 263 HG SER 33 HG SER 33 7.796 8.638 2.143 264 H LEU 34 H LEU 34 6.708 4.747 1.954 265 HA LEU 34 HA LEU 34 7.544 2.462 3.421 266 1HB LEU 34 2HB LEU 34 5.335 3.302 1.660 267 2HB LEU 34 1HB LEU 34 5.646 1.597 1.657 268 HG LEU 34 HG LEU 34 5.610 2.741 4.331 269 1HD1 LEU 34 1HD1 LEU 34 3.829 4.138 3.738 270 2HD1 LEU 34 2HD1 LEU 34 2.982 2.659 4.165 271 3HD1 LEU 34 3HD1 LEU 34 3.278 3.044 2.476 272 1HD2 LEU 34 1HD2 LEU 34 4.378 0.447 2.848 273 2HD2 LEU 34 2HD2 LEU 34 3.956 0.794 4.526 274 3HD2 LEU 34 3HD2 LEU 34 5.613 0.415 4.088 275 H ARG 35 H ARG 35 7.270 2.988 -0.085 276 HA ARG 35 HA ARG 35 8.385 0.522 -0.914 277 1HB ARG 35 2HB ARG 35 9.123 2.771 -2.661 278 2HB ARG 35 1HB ARG 35 8.218 1.312 -3.033 279 1HG ARG 35 2HG ARG 35 6.257 2.398 -1.803 280 2HG ARG 35 1HG ARG 35 7.208 3.874 -1.837 281 1HD ARG 35 2HD ARG 35 5.890 4.105 -3.742 282 2HD ARG 35 1HD ARG 35 7.374 3.423 -4.402 283 HE ARG 35 HE ARG 35 4.799 2.072 -4.115 284 1HH1 ARG 35 1HH2 ARG 35 6.399 2.089 -6.664 285 2HH1 ARG 35 2HH2 ARG 35 7.076 0.496 -6.670 286 1HH2 ARG 35 1HH1 ARG 35 6.448 -0.041 -3.309 287 2HH2 ARG 35 2HH1 ARG 35 7.097 -0.719 -4.769 288 H ASP 36 H ASP 36 9.886 3.679 -0.368 289 HA ASP 36 HA ASP 36 12.528 3.015 -1.070 290 1HB ASP 36 2HB ASP 36 11.585 5.327 -0.819 291 2HB ASP 36 1HB ASP 36 11.663 5.078 0.914 292 H ASP 37 H ASP 37 10.719 2.805 1.898 293 HA ASP 37 HA ASP 37 12.709 1.011 3.022 294 1HB ASP 37 2HB ASP 37 13.292 3.422 3.713 295 2HB ASP 37 1HB ASP 37 11.830 3.365 4.694 296 HA PRO 38 HA PRO 38 8.538 -0.418 3.884 297 1HB PRO 38 2HB PRO 38 9.622 -3.062 4.032 298 2HB PRO 38 1HB PRO 38 8.572 -2.371 2.808 299 1HG PRO 38 2HG PRO 38 11.219 -3.103 2.471 300 2HG PRO 38 1HG PRO 38 10.267 -2.084 1.382 301 1HD PRO 38 2HD PRO 38 12.354 -1.304 3.324 302 2HD PRO 38 1HD PRO 38 11.777 -0.455 1.872 303 H SER 39 H SER 39 11.522 -1.194 5.556 304 HA SER 39 HA SER 39 10.388 -2.352 7.881 305 1HB SER 39 2HB SER 39 12.838 -2.408 7.264 306 2HB SER 39 1HB SER 39 12.936 -0.712 7.727 307 HG SER 39 HG SER 39 12.036 -1.434 9.795 308 H GLN 40 H GLN 40 10.810 0.864 6.695 309 HA GLN 40 HA GLN 40 10.161 2.203 9.171 310 1HB GLN 40 2HB GLN 40 11.725 3.046 7.312 311 2HB GLN 40 1HB GLN 40 10.259 3.423 6.413 312 1HG GLN 40 2HG GLN 40 9.504 4.893 8.234 313 2HG GLN 40 1HG GLN 40 10.943 4.492 9.169 314 1HE2 GLN 40 1HE2 GLN 40 12.767 5.790 8.803 315 2HE2 GLN 40 2HE2 GLN 40 12.928 6.871 7.505 316 H SER 41 H SER 41 8.330 0.544 6.939 317 HA SER 41 HA SER 41 6.194 2.101 6.197 318 1HB SER 41 2HB SER 41 4.896 0.025 6.167 319 2HB SER 41 1HB SER 41 6.531 -0.292 5.607 320 HG SER 41 HG SER 41 6.957 -1.360 7.416 321 H ALA 42 H ALA 42 6.729 0.571 9.344 322 HA ALA 42 HA ALA 42 4.212 1.140 10.517 323 1HB ALA 42 1HB ALA 42 6.906 0.914 11.857 324 2HB ALA 42 2HB ALA 42 5.932 -0.478 11.372 325 3HB ALA 42 3HB ALA 42 5.328 0.636 12.600 326 H ASN 43 H ASN 43 7.258 2.802 10.282 327 HA ASN 43 HA ASN 43 6.727 4.922 12.054 328 1HB ASN 43 2HB ASN 43 8.749 4.145 10.061 329 2HB ASN 43 1HB ASN 43 8.620 5.880 10.367 330 1HD2 ASN 43 1HD2 ASN 43 8.467 2.917 12.441 331 2HD2 ASN 43 2HD2 ASN 43 9.569 3.497 13.596 332 H LEU 44 H LEU 44 6.263 4.407 8.667 333 HA LEU 44 HA LEU 44 5.580 7.087 7.934 334 1HB LEU 44 2HB LEU 44 5.117 4.421 6.560 335 2HB LEU 44 1HB LEU 44 5.058 6.019 5.789 336 HG LEU 44 HG LEU 44 7.453 5.111 7.369 337 1HD1 LEU 44 1HD1 LEU 44 7.584 3.518 5.770 338 2HD1 LEU 44 2HD1 LEU 44 8.437 4.839 4.978 339 3HD1 LEU 44 3HD1 LEU 44 6.758 4.494 4.556 340 1HD2 LEU 44 1HD2 LEU 44 7.298 7.425 7.118 341 2HD2 LEU 44 2HD2 LEU 44 6.873 7.281 5.413 342 3HD2 LEU 44 3HD2 LEU 44 8.501 6.873 5.954 343 H LEU 45 H LEU 45 4.018 4.223 8.853 344 HA LEU 45 HA LEU 45 1.308 5.051 8.494 345 1HB LEU 45 2HB LEU 45 1.680 2.715 8.709 346 2HB LEU 45 1HB LEU 45 2.684 2.920 10.137 347 HG LEU 45 HG LEU 45 0.731 3.630 11.436 348 1HD1 LEU 45 1HD1 LEU 45 -0.629 3.424 8.755 349 2HD1 LEU 45 2HD1 LEU 45 -0.683 4.743 9.923 350 3HD1 LEU 45 3HD1 LEU 45 -1.549 3.242 10.246 351 1HD2 LEU 45 1HD2 LEU 45 1.238 1.262 11.369 352 2HD2 LEU 45 2HD2 LEU 45 0.352 1.070 9.856 353 3HD2 LEU 45 3HD2 LEU 45 -0.513 1.460 11.343 354 H ALA 46 H ALA 46 3.721 5.219 10.981 355 HA ALA 46 HA ALA 46 2.176 6.312 13.069 356 1HB ALA 46 1HB ALA 46 4.585 5.289 13.098 357 2HB ALA 46 2HB ALA 46 4.213 6.622 14.189 358 3HB ALA 46 3HB ALA 46 5.084 6.929 12.682 359 H GLU 47 H GLU 47 4.253 7.645 10.603 360 HA GLU 47 HA GLU 47 4.036 10.362 11.260 361 1HB GLU 47 2HB GLU 47 4.738 8.780 8.824 362 2HB GLU 47 1HB GLU 47 4.606 10.534 8.726 363 1HG GLU 47 2HG GLU 47 6.496 8.904 10.421 364 2HG GLU 47 1HG GLU 47 6.898 9.994 9.100 365 H ALA 48 H ALA 48 2.189 8.173 9.260 366 HA ALA 48 HA ALA 48 0.580 10.124 8.019 367 1HB ALA 48 1HB ALA 48 0.347 7.169 8.512 368 2HB ALA 48 2HB ALA 48 0.809 7.993 7.024 369 3HB ALA 48 3HB ALA 48 -0.848 8.072 7.589 370 H LYS 49 H LYS 49 0.159 8.011 10.849 371 HA LYS 49 HA LYS 49 -2.418 8.927 11.570 372 1HB LYS 49 2HB LYS 49 -0.164 7.718 13.175 373 2HB LYS 49 1HB LYS 49 -1.720 8.149 13.891 374 1HG LYS 49 2HG LYS 49 -2.875 6.710 12.243 375 2HG LYS 49 1HG LYS 49 -1.321 6.258 11.551 376 1HD LYS 49 2HD LYS 49 -0.634 5.291 13.720 377 2HD LYS 49 1HD LYS 49 -2.197 5.736 14.409 378 1HE LYS 49 2HE LYS 49 -3.250 3.980 13.435 379 2HE LYS 49 1HE LYS 49 -2.438 4.241 11.893 380 1HZ LYS 49 1HZ LYS 49 -0.429 3.231 12.912 381 2HZ LYS 49 2HZ LYS 49 -1.734 2.156 12.753 382 3HZ LYS 49 3HZ LYS 49 -1.362 2.828 14.269 383 H LYS 50 H LYS 50 0.807 10.202 11.991 384 HA LYS 50 HA LYS 50 0.080 12.187 13.892 385 1HB LYS 50 2HB LYS 50 2.388 11.251 13.613 386 2HB LYS 50 1HB LYS 50 2.479 12.069 12.060 387 1HG LYS 50 2HG LYS 50 1.851 14.208 13.470 388 2HG LYS 50 1HG LYS 50 2.456 13.249 14.822 389 1HD LYS 50 2HD LYS 50 4.013 13.667 12.256 390 2HD LYS 50 1HD LYS 50 4.198 14.706 13.670 391 1HE LYS 50 2HE LYS 50 4.650 11.701 13.637 392 2HE LYS 50 1HE LYS 50 5.921 12.920 13.610 393 1HZ LYS 50 1HZ LYS 50 4.794 13.783 15.721 394 2HZ LYS 50 2HZ LYS 50 5.733 12.373 15.837 395 3HZ LYS 50 3HZ LYS 50 4.039 12.266 15.785 396 H LEU 51 H LEU 51 0.566 12.052 10.434 397 HA LEU 51 HA LEU 51 0.086 14.806 9.977 398 1HB LEU 51 2HB LEU 51 0.437 12.388 8.293 399 2HB LEU 51 1HB LEU 51 -0.474 13.714 7.579 400 HG LEU 51 HG LEU 51 1.842 14.000 7.003 401 1HD1 LEU 51 1HD1 LEU 51 1.972 16.235 7.450 402 2HD1 LEU 51 2HD1 LEU 51 1.645 16.026 9.169 403 3HD1 LEU 51 3HD1 LEU 51 0.322 15.962 8.004 404 1HD2 LEU 51 1HD2 LEU 51 2.273 13.488 9.930 405 2HD2 LEU 51 2HD2 LEU 51 3.421 14.509 9.065 406 3HD2 LEU 51 3HD2 LEU 51 3.157 12.851 8.544 407 H ASN 52 H ASN 52 -1.846 11.906 9.896 408 HA ASN 52 HA ASN 52 -4.240 12.990 8.921 409 1HB ASN 52 2HB ASN 52 -3.802 10.595 9.030 410 2HB ASN 52 1HB ASN 52 -3.737 10.661 10.787 411 1HD2 ASN 52 1HD2 ASN 52 -5.768 10.928 11.944 412 2HD2 ASN 52 2HD2 ASN 52 -7.261 10.739 11.159 413 H ASP 53 H ASP 53 -2.966 12.434 12.180 414 HA ASP 53 HA ASP 53 -5.183 13.460 13.565 415 1HB ASP 53 2HB ASP 53 -2.296 13.142 14.350 416 2HB ASP 53 1HB ASP 53 -3.503 13.784 15.457 417 H ALA 54 H ALA 54 -2.221 14.934 12.382 418 HA ALA 54 HA ALA 54 -2.570 17.498 13.481 419 1HB ALA 54 1HB ALA 54 -0.423 16.919 12.617 420 2HB ALA 54 2HB ALA 54 -1.048 18.182 11.557 421 3HB ALA 54 3HB ALA 54 -1.098 16.495 11.045 422 H GLN 55 H GLN 55 -3.663 15.965 10.502 423 HA GLN 55 HA GLN 55 -4.957 18.384 9.524 424 1HB GLN 55 2HB GLN 55 -4.697 15.551 8.526 425 2HB GLN 55 1HB GLN 55 -5.731 16.740 7.719 426 1HG GLN 55 2HG GLN 55 -3.873 18.183 7.264 427 2HG GLN 55 1HG GLN 55 -2.812 17.270 8.335 428 1HE2 GLN 55 1HE2 GLN 55 -2.613 14.839 7.654 429 2HE2 GLN 55 2HE2 GLN 55 -2.444 14.552 5.991 430 H ALA 56 H ALA 56 -5.709 15.994 11.740 431 HA ALA 56 HA ALA 56 -8.589 15.975 11.204 432 1HB ALA 56 1HB ALA 56 -8.710 14.338 13.025 433 2HB ALA 56 2HB ALA 56 -7.002 14.589 13.383 434 3HB ALA 56 3HB ALA 56 -7.484 13.854 11.858 435 HA PRO 57 HA PRO 57 -9.596 19.450 13.769 436 1HB PRO 57 2HB PRO 57 -11.900 18.153 14.861 437 2HB PRO 57 1HB PRO 57 -11.827 19.279 13.504 438 1HG PRO 57 2HG PRO 57 -11.919 16.361 13.512 439 2HG PRO 57 1HG PRO 57 -12.560 17.513 12.332 440 1HD PRO 57 2HD PRO 57 -10.403 16.059 11.799 441 2HD PRO 57 1HD PRO 57 -10.505 17.760 11.281 442 H LYS 58 H LYS 58 -7.774 19.010 15.110 443 HA LYS 58 HA LYS 58 -8.449 18.006 17.790 444 1HB LYS 58 2HB LYS 58 -6.001 17.331 16.207 445 2HB LYS 58 1HB LYS 58 -6.155 17.020 17.927 446 1HG LYS 58 2HG LYS 58 -8.073 15.555 17.526 447 2HG LYS 58 1HG LYS 58 -8.044 15.939 15.807 448 1HD LYS 58 2HD LYS 58 -6.942 13.836 15.990 449 2HD LYS 58 1HD LYS 58 -5.653 15.017 15.782 450 1HE LYS 58 2HE LYS 58 -5.160 15.003 18.149 451 2HE LYS 58 1HE LYS 58 -6.582 14.017 18.489 452 1HZ LYS 58 1HZ LYS 58 -5.300 12.538 16.653 453 2HZ LYS 58 2HZ LYS 58 -5.148 12.326 18.331 454 3HZ LYS 58 3HZ LYS 58 -3.992 13.234 17.477 455 1H VAL 1 1HT VAL 1 -19.476 -6.209 2.146 456 2H VAL 1 2HT VAL 1 -19.975 -4.773 2.904 457 3H VAL 1 3HT VAL 1 -18.701 -5.685 3.561 458 HA VAL 1 HA VAL 1 -18.519 -4.587 0.833 459 HB VAL 1 HB VAL 1 -19.092 -2.717 2.363 460 1HG1 VAL 1 1HG1 VAL 1 -16.523 -3.331 3.844 461 2HG1 VAL 1 2HG1 VAL 1 -18.096 -3.885 4.416 462 3HG1 VAL 1 3HG1 VAL 1 -17.770 -2.159 4.268 463 1HG2 VAL 1 1HG2 VAL 1 -17.214 -1.284 1.792 464 2HG2 VAL 1 2HG2 VAL 1 -17.472 -2.415 0.464 465 3HG2 VAL 1 3HG2 VAL 1 -16.151 -2.679 1.604 466 H ASP 2 H ASP 2 -17.078 -5.676 3.869 467 HA ASP 2 HA ASP 2 -14.414 -5.929 2.777 468 1HB ASP 2 2HB ASP 2 -13.871 -6.903 4.963 469 2HB ASP 2 1HB ASP 2 -14.785 -5.409 5.158 470 H ASN 3 H ASN 3 -13.308 -8.142 3.190 471 HA ASN 3 HA ASN 3 -14.952 -10.454 2.648 472 1HB ASN 3 2HB ASN 3 -14.469 -9.362 0.407 473 2HB ASN 3 1HB ASN 3 -12.766 -9.704 0.699 474 1HD2 ASN 3 1HD2 ASN 3 -15.932 -11.444 0.690 475 2HD2 ASN 3 2HD2 ASN 3 -15.297 -12.877 0.038 476 H LYS 4 H LYS 4 -13.584 -12.468 2.569 477 HA LYS 4 HA LYS 4 -11.867 -12.595 4.791 478 1HB LYS 4 2HB LYS 4 -11.459 -14.887 4.163 479 2HB LYS 4 1HB LYS 4 -13.147 -14.519 3.834 480 1HG LYS 4 2HG LYS 4 -12.512 -14.046 1.446 481 2HG LYS 4 1HG LYS 4 -10.881 -14.602 1.826 482 1HD LYS 4 2HD LYS 4 -11.986 -16.497 0.907 483 2HD LYS 4 1HD LYS 4 -11.959 -16.769 2.649 484 1HE LYS 4 2HE LYS 4 -14.244 -16.116 2.884 485 2HE LYS 4 1HE LYS 4 -14.297 -15.457 1.248 486 1HZ LYS 4 1HZ LYS 4 -15.348 -17.646 1.402 487 2HZ LYS 4 2HZ LYS 4 -13.878 -18.319 1.923 488 3HZ LYS 4 3HZ LYS 4 -14.009 -17.666 0.361 489 H PHE 5 H PHE 5 -11.314 -11.710 1.547 490 HA PHE 5 HA PHE 5 -8.550 -12.250 1.356 491 1HB PHE 5 2HB PHE 5 -10.529 -10.620 -0.186 492 2HB PHE 5 1HB PHE 5 -8.807 -10.361 -0.477 493 HD1 PHE 5 1HD PHE 5 -8.039 -11.553 -2.335 494 HD2 PHE 5 2HD PHE 5 -10.948 -13.332 0.273 495 HE1 PHE 5 1HE PHE 5 -7.955 -13.638 -3.669 496 HE2 PHE 5 2HE PHE 5 -10.872 -15.419 -1.066 497 HZ PHE 5 HZ PHE 5 -9.367 -15.575 -3.032 498 H ASN 6 H ASN 6 -9.923 -10.260 3.566 499 HA ASN 6 HA ASN 6 -8.536 -7.806 3.299 500 1HB ASN 6 2HB ASN 6 -10.327 -8.381 5.032 501 2HB ASN 6 1HB ASN 6 -9.056 -9.199 5.939 502 1HD2 ASN 6 1HD2 ASN 6 -6.892 -7.557 5.860 503 2HD2 ASN 6 2HD2 ASN 6 -7.262 -6.003 6.433 504 H LYS 7 H LYS 7 -7.613 -10.836 4.899 505 HA LYS 7 HA LYS 7 -5.012 -10.076 5.713 506 1HB LYS 7 2HB LYS 7 -6.105 -12.087 6.574 507 2HB LYS 7 1HB LYS 7 -6.166 -12.782 4.956 508 1HG LYS 7 2HG LYS 7 -3.648 -12.708 4.898 509 2HG LYS 7 1HG LYS 7 -3.673 -12.188 6.584 510 1HD LYS 7 2HD LYS 7 -4.746 -14.242 7.275 511 2HD LYS 7 1HD LYS 7 -4.997 -14.734 5.601 512 1HE LYS 7 2HE LYS 7 -2.280 -14.342 6.895 513 2HE LYS 7 1HE LYS 7 -3.062 -15.901 6.645 514 1HZ LYS 7 1HZ LYS 7 -1.884 -15.807 4.735 515 2HZ LYS 7 2HZ LYS 7 -1.830 -14.110 4.703 516 3HZ LYS 7 3HZ LYS 7 -3.231 -14.927 4.199 517 H GLU 8 H GLU 8 -6.279 -11.624 2.818 518 HA GLU 8 HA GLU 8 -3.820 -11.985 1.458 519 1HB GLU 8 2HB GLU 8 -6.673 -11.787 0.408 520 2HB GLU 8 1HB GLU 8 -5.290 -12.391 -0.513 521 1HG GLU 8 2HG GLU 8 -6.540 -13.602 1.969 522 2HG GLU 8 1HG GLU 8 -6.434 -14.316 0.362 523 H ARG 9 H ARG 9 -6.116 -9.348 1.617 524 HA ARG 9 HA ARG 9 -5.250 -7.866 -0.618 525 1HB ARG 9 2HB ARG 9 -7.408 -7.514 0.615 526 2HB ARG 9 1HB ARG 9 -6.489 -6.818 1.948 527 1HG ARG 9 2HG ARG 9 -5.482 -5.269 0.060 528 2HG ARG 9 1HG ARG 9 -6.930 -5.734 -0.819 529 1HD ARG 9 2HD ARG 9 -6.856 -4.447 1.920 530 2HD ARG 9 1HD ARG 9 -7.313 -3.660 0.415 531 HE ARG 9 HE ARG 9 -8.835 -5.982 1.418 532 1HH1 ARG 9 1HH1 ARG 9 -9.508 -4.254 -1.066 533 2HH1 ARG 9 2HH1 ARG 9 -10.821 -3.310 -0.448 534 1HH2 ARG 9 1HH2 ARG 9 -10.156 -4.075 2.864 535 2HH2 ARG 9 2HH2 ARG 9 -11.188 -3.208 1.777 536 H VAL 10 H VAL 10 -4.404 -7.836 2.827 537 HA VAL 10 HA VAL 10 -2.731 -5.600 2.887 538 HB VAL 10 HB VAL 10 -2.313 -8.094 4.516 539 1HG1 VAL 10 1HG1 VAL 10 -1.575 -5.213 4.816 540 2HG1 VAL 10 2HG1 VAL 10 -0.562 -6.645 4.947 541 3HG1 VAL 10 3HG1 VAL 10 -1.713 -6.261 6.231 542 1HG2 VAL 10 1HG2 VAL 10 -3.880 -6.278 6.006 543 2HG2 VAL 10 2HG2 VAL 10 -4.385 -7.841 5.363 544 3HG2 VAL 10 3HG2 VAL 10 -4.656 -6.382 4.418 545 H ILE 11 H ILE 11 -2.044 -8.942 2.001 546 HA ILE 11 HA ILE 11 0.784 -8.590 1.785 547 HB ILE 11 HB ILE 11 -0.955 -10.681 0.457 548 1HG1 ILE 11 2HG1 ILE 11 -0.219 -10.169 3.276 549 2HG1 ILE 11 1HG1 ILE 11 -1.483 -11.201 2.617 550 1HG2 ILE 11 1HG2 ILE 11 1.980 -10.708 1.278 551 2HG2 ILE 11 2HG2 ILE 11 1.406 -10.459 -0.372 552 3HG2 ILE 11 3HG2 ILE 11 1.119 -11.998 0.434 553 1HD1 ILE 11 1HD1 ILE 11 1.433 -11.879 3.053 554 2HD1 ILE 11 2HD1 ILE 11 0.392 -12.859 2.014 555 3HD1 ILE 11 3HD1 ILE 11 0.013 -12.684 3.725 556 H ALA 12 H ALA 12 -1.930 -8.356 -0.518 557 HA ALA 12 HA ALA 12 -0.312 -7.936 -2.840 558 1HB ALA 12 1HB ALA 12 -3.179 -7.215 -2.190 559 2HB ALA 12 2HB ALA 12 -2.627 -8.609 -3.116 560 3HB ALA 12 3HB ALA 12 -2.437 -6.981 -3.773 561 H ILE 13 H ILE 13 -1.941 -5.837 -0.513 562 HA ILE 13 HA ILE 13 -1.232 -3.364 -1.654 563 HB ILE 13 HB ILE 13 -1.507 -4.087 1.299 564 1HG1 ILE 13 2HG1 ILE 13 -3.611 -2.673 -0.305 565 2HG1 ILE 13 1HG1 ILE 13 -3.534 -4.423 -0.361 566 1HG2 ILE 13 1HG2 ILE 13 -1.615 -1.434 -0.154 567 2HG2 ILE 13 2HG2 ILE 13 -0.407 -1.935 1.022 568 3HG2 ILE 13 3HG2 ILE 13 -2.078 -1.668 1.530 569 1HD1 ILE 13 1HD1 ILE 13 -3.463 -3.026 2.269 570 2HD1 ILE 13 2HD1 ILE 13 -4.064 -4.636 1.883 571 3HD1 ILE 13 3HD1 ILE 13 -5.005 -3.222 1.438 572 H GLY 14 H GLY 14 0.383 -5.696 0.387 573 1HA GLY 14 2HA GLY 14 2.766 -4.199 0.899 574 2HA GLY 14 1HA GLY 14 2.563 -5.938 1.089 575 H GLU 15 H GLU 15 1.868 -6.597 -1.571 576 HA GLU 15 HA GLU 15 4.432 -6.863 -2.697 577 1HB GLU 15 2HB GLU 15 2.328 -8.321 -2.988 578 2HB GLU 15 1HB GLU 15 1.914 -7.207 -4.263 579 1HG GLU 15 2HG GLU 15 3.513 -8.048 -5.693 580 2HG GLU 15 1HG GLU 15 4.703 -8.124 -4.391 581 H ILE 16 H ILE 16 1.664 -4.732 -3.462 582 HA ILE 16 HA ILE 16 2.816 -3.608 -5.803 583 HB ILE 16 HB ILE 16 1.444 -1.742 -3.854 584 1HG1 ILE 16 2HG1 ILE 16 0.038 -3.792 -3.887 585 2HG1 ILE 16 1HG1 ILE 16 -0.761 -2.410 -4.590 586 1HG2 ILE 16 1HG2 ILE 16 1.271 -2.038 -6.869 587 2HG2 ILE 16 2HG2 ILE 16 2.319 -0.913 -6.014 588 3HG2 ILE 16 3HG2 ILE 16 0.573 -0.748 -5.897 589 1HD1 ILE 16 1HD1 ILE 16 -1.054 -4.476 -5.929 590 2HD1 ILE 16 2HD1 ILE 16 0.693 -4.522 -6.177 591 3HD1 ILE 16 3HD1 ILE 16 -0.259 -3.174 -6.816 592 H MET 17 H MET 17 3.022 -2.629 -2.446 593 HA MET 17 HA MET 17 4.837 -0.488 -2.680 594 1HB MET 17 2HB MET 17 4.359 -2.284 -0.318 595 2HB MET 17 1HB MET 17 5.006 -0.636 -0.303 596 1HG MET 17 2HG MET 17 2.286 -1.328 -1.410 597 2HG MET 17 1HG MET 17 2.536 -0.795 0.244 598 1HE MET 17 1HE MET 17 3.994 0.894 0.787 599 2HE MET 17 2HE MET 17 3.622 2.545 0.252 600 3HE MET 17 3HE MET 17 4.996 1.691 -0.455 601 H ARG 18 H ARG 18 5.328 -3.962 -2.582 602 HA ARG 18 HA ARG 18 8.113 -3.893 -1.924 603 1HB ARG 18 2HB ARG 18 6.379 -5.967 -3.188 604 2HB ARG 18 1HB ARG 18 8.087 -6.218 -2.934 605 1HG ARG 18 2HG ARG 18 6.582 -5.246 -0.580 606 2HG ARG 18 1HG ARG 18 6.173 -6.866 -1.122 607 1HD ARG 18 2HD ARG 18 9.031 -5.990 -0.690 608 2HD ARG 18 1HD ARG 18 8.055 -6.678 0.603 609 HE ARG 18 HE ARG 18 9.251 -8.117 -1.578 610 1HH1 ARG 18 1HH2 ARG 18 6.386 -8.773 -2.002 611 2HH1 ARG 18 2HH2 ARG 18 6.135 -10.125 -0.948 612 1HH2 ARG 18 1HH1 ARG 18 9.000 -9.548 0.906 613 2HH2 ARG 18 2HH1 ARG 18 7.613 -10.561 0.694 614 H LEU 19 H LEU 19 6.224 -3.873 -4.892 615 HA LEU 19 HA LEU 19 8.247 -4.316 -6.771 616 1HB LEU 19 2HB LEU 19 5.766 -2.629 -7.026 617 2HB LEU 19 1HB LEU 19 6.767 -3.132 -8.361 618 HG LEU 19 HG LEU 19 5.371 -5.029 -6.466 619 1HD1 LEU 19 1HD1 LEU 19 4.619 -3.982 -9.196 620 2HD1 LEU 19 2HD1 LEU 19 3.657 -3.943 -7.716 621 3HD1 LEU 19 3HD1 LEU 19 3.951 -5.470 -8.532 622 1HD2 LEU 19 1HD2 LEU 19 6.672 -6.568 -7.412 623 2HD2 LEU 19 2HD2 LEU 19 7.424 -5.343 -8.428 624 3HD2 LEU 19 3HD2 LEU 19 5.971 -6.168 -8.977 625 HA PRO 20 HA PRO 20 10.375 -0.410 -6.106 626 1HB PRO 20 2HB PRO 20 12.610 -1.524 -7.548 627 2HB PRO 20 1HB PRO 20 12.465 -1.228 -5.812 628 1HG PRO 20 2HG PRO 20 12.634 -3.697 -6.973 629 2HG PRO 20 1HG PRO 20 11.930 -3.374 -5.379 630 1HD PRO 20 2HD PRO 20 10.549 -3.813 -7.998 631 2HD PRO 20 1HD PRO 20 10.088 -4.347 -6.364 632 H ASN 21 H ASN 21 9.276 -1.905 -8.941 633 HA ASN 21 HA ASN 21 10.417 0.109 -10.744 634 1HB ASN 21 2HB ASN 21 8.811 -2.396 -11.243 635 2HB ASN 21 1HB ASN 21 9.354 -1.304 -12.512 636 1HD2 ASN 21 1HD2 ASN 21 10.237 -4.001 -12.476 637 2HD2 ASN 21 2HD2 ASN 21 11.893 -4.030 -12.107 638 H LEU 22 H LEU 22 7.526 -0.485 -8.963 639 HA LEU 22 HA LEU 22 5.777 0.958 -10.767 640 1HB LEU 22 2HB LEU 22 5.346 0.139 -7.896 641 2HB LEU 22 1HB LEU 22 4.124 0.844 -8.931 642 HG LEU 22 HG LEU 22 5.452 -1.852 -9.167 643 1HD1 LEU 22 1HD1 LEU 22 2.625 -0.837 -8.815 644 2HD1 LEU 22 2HD1 LEU 22 3.524 -1.915 -7.755 645 3HD1 LEU 22 3HD1 LEU 22 2.961 -2.490 -9.328 646 1HD2 LEU 22 1HD2 LEU 22 5.466 -1.131 -11.384 647 2HD2 LEU 22 2HD2 LEU 22 3.961 -0.218 -11.179 648 3HD2 LEU 22 3HD2 LEU 22 3.924 -1.973 -11.235 649 H ASN 23 H ASN 23 4.712 2.884 -10.294 650 HA ASN 23 HA ASN 23 6.374 4.929 -9.015 651 1HB ASN 23 2HB ASN 23 5.576 5.897 -10.931 652 2HB ASN 23 1HB ASN 23 4.281 4.748 -11.091 653 1HD2 ASN 23 1HD2 ASN 23 2.611 6.204 -11.558 654 2HD2 ASN 23 2HD2 ASN 23 2.093 7.404 -10.479 655 H SER 24 H SER 24 5.463 6.308 -7.310 656 HA SER 24 HA SER 24 4.113 4.873 -5.288 657 1HB SER 24 2HB SER 24 4.398 7.868 -5.632 658 2HB SER 24 1HB SER 24 3.870 7.064 -4.156 659 HG SER 24 HG SER 24 6.188 7.584 -4.359 660 H LEU 25 H LEU 25 2.988 7.185 -7.682 661 HA LEU 25 HA LEU 25 0.261 7.171 -6.871 662 1HB LEU 25 2HB LEU 25 1.845 8.500 -8.874 663 2HB LEU 25 1HB LEU 25 0.394 7.860 -9.591 664 HG LEU 25 HG LEU 25 0.524 9.617 -7.176 665 1HD1 LEU 25 1HD1 LEU 25 -0.562 10.162 -9.950 666 2HD1 LEU 25 2HD1 LEU 25 0.975 10.773 -9.338 667 3HD1 LEU 25 3HD1 LEU 25 -0.538 11.298 -8.602 668 1HD2 LEU 25 1HD2 LEU 25 -2.083 9.538 -8.021 669 2HD2 LEU 25 2HD2 LEU 25 -1.418 8.564 -6.709 670 3HD2 LEU 25 3HD2 LEU 25 -1.535 7.889 -8.332 671 H GLN 26 H GLN 26 2.221 5.313 -9.162 672 HA GLN 26 HA GLN 26 0.077 3.943 -10.446 673 1HB GLN 26 2HB GLN 26 2.991 3.531 -10.151 674 2HB GLN 26 1HB GLN 26 2.054 2.082 -10.456 675 1HG GLN 26 2HG GLN 26 1.107 3.091 -12.486 676 2HG GLN 26 1HG GLN 26 2.005 4.580 -12.179 677 1HE2 GLN 26 1HE2 GLN 26 3.903 1.982 -11.146 678 2HE2 GLN 26 2HE2 GLN 26 4.837 1.793 -12.549 679 H VAL 27 H VAL 27 1.979 3.440 -7.595 680 HA VAL 27 HA VAL 27 1.031 0.894 -6.890 681 HB VAL 27 HB VAL 27 2.444 3.094 -5.411 682 1HG1 VAL 27 1HG1 VAL 27 1.242 0.579 -4.315 683 2HG1 VAL 27 2HG1 VAL 27 1.449 2.151 -3.548 684 3HG1 VAL 27 3HG1 VAL 27 2.831 1.076 -3.737 685 1HG2 VAL 27 1HG2 VAL 27 4.210 2.076 -6.366 686 2HG2 VAL 27 2HG2 VAL 27 3.138 0.891 -7.112 687 3HG2 VAL 27 3HG2 VAL 27 3.805 0.590 -5.508 688 H VAL 28 H VAL 28 0.055 4.153 -5.995 689 HA VAL 28 HA VAL 28 -2.024 3.441 -4.243 690 HB VAL 28 HB VAL 28 -1.752 5.865 -6.051 691 1HG1 VAL 28 1HG1 VAL 28 -3.942 4.959 -4.542 692 2HG1 VAL 28 2HG1 VAL 28 -3.728 6.567 -5.230 693 3HG1 VAL 28 3HG1 VAL 28 -3.216 6.239 -3.573 694 1HG2 VAL 28 1HG2 VAL 28 -0.177 5.072 -3.851 695 2HG2 VAL 28 2HG2 VAL 28 -1.297 6.264 -3.194 696 3HG2 VAL 28 3HG2 VAL 28 -0.256 6.687 -4.557 697 H ALA 29 H ALA 29 -1.729 3.640 -7.737 698 HA ALA 29 HA ALA 29 -4.426 3.548 -8.495 699 1HB ALA 29 1HB ALA 29 -2.548 1.976 -10.159 700 2HB ALA 29 2HB ALA 29 -2.018 3.626 -9.820 701 3HB ALA 29 3HB ALA 29 -3.576 3.342 -10.601 702 H PHE 30 H PHE 30 -2.066 0.976 -7.794 703 HA PHE 30 HA PHE 30 -3.906 -1.130 -8.229 704 1HB PHE 30 2HB PHE 30 -1.172 -0.989 -6.915 705 2HB PHE 30 1HB PHE 30 -2.042 -2.478 -7.279 706 HD1 PHE 30 1HD PHE 30 0.521 -0.511 -8.480 707 HD2 PHE 30 2HD PHE 30 -3.147 -2.309 -9.880 708 HE1 PHE 30 1HE PHE 30 1.309 -0.355 -10.790 709 HE2 PHE 30 2HE PHE 30 -2.322 -2.133 -12.187 710 HZ PHE 30 HZ PHE 30 -0.107 -1.172 -12.651 711 H ILE 31 H ILE 31 -2.592 0.517 -5.325 712 HA ILE 31 HA ILE 31 -3.853 -1.113 -3.408 713 HB ILE 31 HB ILE 31 -3.239 1.851 -3.239 714 1HG1 ILE 31 2HG1 ILE 31 -1.627 -0.434 -2.071 715 2HG1 ILE 31 1HG1 ILE 31 -1.304 0.181 -3.686 716 1HG2 ILE 31 1HG2 ILE 31 -3.229 1.384 -0.763 717 2HG2 ILE 31 2HG2 ILE 31 -3.872 -0.217 -1.113 718 3HG2 ILE 31 3HG2 ILE 31 -4.821 1.217 -1.502 719 1HD1 ILE 31 1HD1 ILE 31 0.080 1.250 -1.817 720 2HD1 ILE 31 2HD1 ILE 31 -1.432 1.976 -1.253 721 3HD1 ILE 31 3HD1 ILE 31 -0.808 2.371 -2.857 722 H ASN 32 H ASN 32 -4.952 1.838 -5.009 723 HA ASN 32 HA ASN 32 -7.465 2.042 -3.769 724 1HB ASN 32 2HB ASN 32 -6.322 3.794 -5.182 725 2HB ASN 32 1HB ASN 32 -6.756 2.850 -6.602 726 1HD2 ASN 32 1HD2 ASN 32 -8.045 4.737 -7.266 727 2HD2 ASN 32 2HD2 ASN 32 -9.583 4.994 -6.596 728 H SER 33 H SER 33 -6.269 0.015 -6.404 729 HA SER 33 HA SER 33 -8.889 -0.783 -7.229 730 1HB SER 33 2HB SER 33 -6.119 -1.482 -8.068 731 2HB SER 33 1HB SER 33 -7.472 -2.506 -8.553 732 HG SER 33 HG SER 33 -7.706 0.267 -8.824 733 H LEU 34 H LEU 34 -6.452 -1.821 -4.950 734 HA LEU 34 HA LEU 34 -7.451 -4.465 -4.440 735 1HB LEU 34 2HB LEU 34 -6.140 -2.537 -2.467 736 2HB LEU 34 1HB LEU 34 -6.294 -4.274 -2.265 737 HG LEU 34 HG LEU 34 -4.750 -2.968 -4.506 738 1HD1 LEU 34 1HD1 LEU 34 -3.511 -4.480 -2.249 739 2HD1 LEU 34 2HD1 LEU 34 -3.798 -2.740 -2.131 740 3HD1 LEU 34 3HD1 LEU 34 -2.751 -3.373 -3.390 741 1HD2 LEU 34 1HD2 LEU 34 -3.833 -5.285 -4.710 742 2HD2 LEU 34 2HD2 LEU 34 -5.526 -5.097 -5.116 743 3HD2 LEU 34 3HD2 LEU 34 -5.078 -5.778 -3.572 744 H ARG 35 H ARG 35 -8.007 -1.250 -3.326 745 HA ARG 35 HA ARG 35 -10.101 -1.599 -1.433 746 1HB ARG 35 2HB ARG 35 -8.657 0.522 -2.596 747 2HB ARG 35 1HB ARG 35 -10.325 0.824 -3.050 748 1HG ARG 35 2HG ARG 35 -10.900 1.429 -0.954 749 2HG ARG 35 1HG ARG 35 -10.053 0.071 -0.225 750 1HD ARG 35 2HD ARG 35 -7.931 1.554 -1.024 751 2HD ARG 35 1HD ARG 35 -9.107 2.839 -0.765 752 HE ARG 35 HE ARG 35 -7.839 1.221 1.260 753 1HH1 ARG 35 1HH2 ARG 35 -10.643 0.746 1.950 754 2HH1 ARG 35 2HH2 ARG 35 -11.073 2.125 2.904 755 1HH2 ARG 35 1HH1 ARG 35 -8.385 4.030 1.832 756 2HH2 ARG 35 2HH1 ARG 35 -9.796 3.986 2.836 757 H ASP 36 H ASP 36 -10.142 -0.879 -4.895 758 HA ASP 36 HA ASP 36 -12.926 -0.756 -5.259 759 1HB ASP 36 2HB ASP 36 -10.699 -1.505 -7.167 760 2HB ASP 36 1HB ASP 36 -12.356 -1.180 -7.666 761 H ASP 37 H ASP 37 -10.665 -3.458 -5.344 762 HA ASP 37 HA ASP 37 -12.880 -5.342 -5.078 763 1HB ASP 37 2HB ASP 37 -11.286 -5.019 -7.539 764 2HB ASP 37 1HB ASP 37 -11.382 -6.669 -6.944 765 HA PRO 38 HA PRO 38 -9.447 -6.515 -2.379 766 1HB PRO 38 2HB PRO 38 -11.383 -7.932 -0.821 767 2HB PRO 38 1HB PRO 38 -10.480 -6.483 -0.389 768 1HG PRO 38 2HG PRO 38 -13.222 -6.683 -0.944 769 2HG PRO 38 1HG PRO 38 -12.283 -5.205 -0.703 770 1HD PRO 38 2HD PRO 38 -13.365 -6.299 -3.177 771 2HD PRO 38 1HD PRO 38 -12.650 -4.701 -2.880 772 H SER 39 H SER 39 -12.073 -8.317 -3.801 773 HA SER 39 HA SER 39 -11.053 -10.944 -3.387 774 1HB SER 39 2HB SER 39 -12.697 -11.573 -5.141 775 2HB SER 39 1HB SER 39 -13.415 -10.570 -3.885 776 HG SER 39 HG SER 39 -12.663 -8.802 -5.484 777 H GLN 40 H GLN 40 -10.751 -8.495 -5.905 778 HA GLN 40 HA GLN 40 -8.899 -10.202 -7.374 779 1HB GLN 40 2HB GLN 40 -9.612 -7.551 -8.472 780 2HB GLN 40 1HB GLN 40 -9.366 -9.074 -9.272 781 1HG GLN 40 2HG GLN 40 -11.802 -8.564 -7.577 782 2HG GLN 40 1HG GLN 40 -11.760 -8.280 -9.312 783 1HE2 GLN 40 1HE2 GLN 40 -12.769 -10.553 -7.158 784 2HE2 GLN 40 2HE2 GLN 40 -12.552 -11.956 -8.088 785 H SER 41 H SER 41 -8.330 -8.797 -4.754 786 HA SER 41 HA SER 41 -6.671 -6.594 -5.172 787 1HB SER 41 2HB SER 41 -6.697 -8.840 -3.165 788 2HB SER 41 1HB SER 41 -5.402 -7.653 -3.134 789 HG SER 41 HG SER 41 -7.614 -7.362 -1.965 790 H ALA 42 H ALA 42 -6.221 -9.976 -5.691 791 HA ALA 42 HA ALA 42 -3.401 -9.975 -6.147 792 1HB ALA 42 1HB ALA 42 -5.419 -11.956 -7.188 793 2HB ALA 42 2HB ALA 42 -4.918 -11.928 -5.495 794 3HB ALA 42 3HB ALA 42 -3.728 -12.243 -6.761 795 H ASN 43 H ASN 43 -6.233 -9.315 -8.054 796 HA ASN 43 HA ASN 43 -5.227 -9.797 -10.635 797 1HB ASN 43 2HB ASN 43 -7.587 -9.629 -9.849 798 2HB ASN 43 1HB ASN 43 -7.371 -7.878 -9.919 799 1HD2 ASN 43 1HD2 ASN 43 -6.422 -7.112 -12.161 800 2HD2 ASN 43 2HD2 ASN 43 -7.052 -7.879 -13.538 801 H LEU 44 H LEU 44 -5.826 -6.729 -8.943 802 HA LEU 44 HA LEU 44 -4.506 -5.285 -10.971 803 1HB LEU 44 2HB LEU 44 -4.951 -3.274 -9.710 804 2HB LEU 44 1HB LEU 44 -6.381 -4.278 -9.721 805 HG LEU 44 HG LEU 44 -5.896 -3.202 -7.549 806 1HD1 LEU 44 1HD1 LEU 44 -5.743 -6.056 -6.999 807 2HD1 LEU 44 2HD1 LEU 44 -7.030 -5.522 -8.072 808 3HD1 LEU 44 3HD1 LEU 44 -6.887 -4.826 -6.462 809 1HD2 LEU 44 1HD2 LEU 44 -3.836 -5.160 -6.903 810 2HD2 LEU 44 2HD2 LEU 44 -4.052 -3.510 -6.347 811 3HD2 LEU 44 3HD2 LEU 44 -3.344 -3.804 -7.918 812 H LEU 45 H LEU 45 -3.689 -6.877 -8.079 813 HA LEU 45 HA LEU 45 -1.117 -5.724 -7.620 814 1HB LEU 45 2HB LEU 45 -1.935 -7.015 -5.815 815 2HB LEU 45 1HB LEU 45 -2.507 -8.292 -6.877 816 HG LEU 45 HG LEU 45 -0.222 -8.987 -7.348 817 1HD1 LEU 45 1HD1 LEU 45 1.650 -7.924 -6.148 818 2HD1 LEU 45 2HD1 LEU 45 0.543 -6.714 -5.505 819 3HD1 LEU 45 3HD1 LEU 45 0.860 -6.796 -7.230 820 1HD2 LEU 45 1HD2 LEU 45 0.236 -8.961 -4.520 821 2HD2 LEU 45 2HD2 LEU 45 -0.380 -10.276 -5.515 822 3HD2 LEU 45 3HD2 LEU 45 -1.497 -9.125 -4.791 823 H ALA 46 H ALA 46 -2.562 -8.226 -9.513 824 HA ALA 46 HA ALA 46 -0.228 -9.378 -10.629 825 1HB ALA 46 1HB ALA 46 -3.090 -9.639 -10.947 826 2HB ALA 46 2HB ALA 46 -1.827 -10.748 -11.484 827 3HB ALA 46 3HB ALA 46 -2.360 -9.442 -12.540 828 H GLU 47 H GLU 47 -2.422 -6.785 -11.551 829 HA GLU 47 HA GLU 47 -1.215 -5.972 -13.951 830 1HB GLU 47 2HB GLU 47 -2.755 -4.364 -11.891 831 2HB GLU 47 1HB GLU 47 -2.319 -3.785 -13.495 832 1HG GLU 47 2HG GLU 47 -4.124 -6.107 -12.823 833 2HG GLU 47 1HG GLU 47 -4.612 -4.556 -13.475 834 H ALA 48 H ALA 48 -0.586 -5.298 -10.578 835 HA ALA 48 HA ALA 48 1.177 -3.108 -10.908 836 1HB ALA 48 1HB ALA 48 -0.125 -4.320 -8.842 837 2HB ALA 48 2HB ALA 48 1.186 -3.156 -8.645 838 3HB ALA 48 3HB ALA 48 1.527 -4.888 -8.598 839 H LYS 49 H LYS 49 1.695 -6.535 -10.233 840 HA LYS 49 HA LYS 49 4.525 -6.393 -10.236 841 1HB LYS 49 2HB LYS 49 2.532 -8.625 -10.561 842 2HB LYS 49 1HB LYS 49 4.269 -8.920 -10.572 843 1HG LYS 49 2HG LYS 49 4.406 -7.810 -8.339 844 2HG LYS 49 1HG LYS 49 2.647 -7.679 -8.339 845 1HD LYS 49 2HD LYS 49 4.156 -10.298 -8.624 846 2HD LYS 49 1HD LYS 49 3.508 -9.697 -7.104 847 1HE LYS 49 2HE LYS 49 1.313 -9.490 -8.749 848 2HE LYS 49 1HE LYS 49 2.103 -10.930 -9.388 849 1HZ LYS 49 1HZ LYS 49 1.570 -10.515 -6.502 850 2HZ LYS 49 2HZ LYS 49 2.055 -11.950 -7.273 851 3HZ LYS 49 3HZ LYS 49 0.497 -11.326 -7.537 852 H LYS 50 H LYS 50 2.078 -6.864 -12.673 853 HA LYS 50 HA LYS 50 3.828 -7.420 -14.852 854 1HB LYS 50 2HB LYS 50 1.010 -6.422 -14.656 855 2HB LYS 50 1HB LYS 50 1.845 -6.530 -16.204 856 1HG LYS 50 2HG LYS 50 2.375 -8.972 -15.568 857 2HG LYS 50 1HG LYS 50 1.166 -8.791 -14.306 858 1HD LYS 50 2HD LYS 50 0.671 -8.311 -17.261 859 2HD LYS 50 1HD LYS 50 0.223 -9.775 -16.389 860 1HE LYS 50 2HE LYS 50 -1.775 -8.610 -16.258 861 2HE LYS 50 1HE LYS 50 -1.000 -8.035 -14.784 862 1HZ LYS 50 1HZ LYS 50 -0.527 -6.012 -15.709 863 2HZ LYS 50 2HZ LYS 50 -1.985 -6.365 -16.504 864 3HZ LYS 50 3HZ LYS 50 -0.503 -6.603 -17.297 865 H LEU 51 H LEU 51 2.495 -4.490 -13.388 866 HA LEU 51 HA LEU 51 3.513 -2.721 -15.401 867 1HB LEU 51 2HB LEU 51 2.072 -2.460 -12.874 868 2HB LEU 51 1HB LEU 51 3.319 -1.232 -13.052 869 HG LEU 51 HG LEU 51 1.097 -0.595 -14.017 870 1HD1 LEU 51 1HD1 LEU 51 2.753 0.749 -14.849 871 2HD1 LEU 51 2HD1 LEU 51 2.281 -0.052 -16.351 872 3HD1 LEU 51 3HD1 LEU 51 3.703 -0.612 -15.465 873 1HD2 LEU 51 1HD2 LEU 51 1.417 -1.993 -16.520 874 2HD2 LEU 51 2HD2 LEU 51 0.034 -2.006 -15.424 875 3HD2 LEU 51 3HD2 LEU 51 1.338 -3.173 -15.209 876 H ASN 52 H ASN 52 4.615 -3.939 -12.343 877 HA ASN 52 HA ASN 52 6.994 -2.406 -12.135 878 1HB ASN 52 2HB ASN 52 7.097 -3.533 -10.189 879 2HB ASN 52 1HB ASN 52 5.726 -4.501 -10.684 880 1HD2 ASN 52 1HD2 ASN 52 9.280 -4.371 -11.128 881 2HD2 ASN 52 2HD2 ASN 52 9.483 -6.052 -11.159 882 H ASP 53 H ASP 53 6.035 -5.412 -13.573 883 HA ASP 53 HA ASP 53 8.590 -6.152 -14.646 884 1HB ASP 53 2HB ASP 53 5.782 -6.912 -15.477 885 2HB ASP 53 1HB ASP 53 7.230 -7.622 -16.176 886 H ALA 54 H ALA 54 5.917 -4.196 -15.771 887 HA ALA 54 HA ALA 54 6.716 -3.868 -18.462 888 1HB ALA 54 1HB ALA 54 5.172 -1.826 -16.887 889 2HB ALA 54 2HB ALA 54 4.453 -3.371 -17.345 890 3HB ALA 54 3HB ALA 54 5.017 -2.256 -18.591 891 H GLN 55 H GLN 55 7.395 -2.073 -15.492 892 HA GLN 55 HA GLN 55 9.018 -0.107 -16.905 893 1HB GLN 55 2HB GLN 55 8.271 -0.473 -14.044 894 2HB GLN 55 1HB GLN 55 9.280 0.839 -14.618 895 1HG GLN 55 2HG GLN 55 7.527 1.857 -15.758 896 2HG GLN 55 1HG GLN 55 6.642 0.345 -15.949 897 1HE2 GLN 55 1HE2 GLN 55 6.124 -0.663 -13.601 898 2HE2 GLN 55 2HE2 GLN 55 5.418 0.445 -12.525 899 H ALA 56 H ALA 56 9.448 -3.171 -15.636 900 HA ALA 56 HA ALA 56 11.998 -2.972 -14.399 901 1HB ALA 56 1HB ALA 56 10.494 -4.966 -14.221 902 2HB ALA 56 2HB ALA 56 12.143 -5.373 -14.681 903 3HB ALA 56 3HB ALA 56 10.872 -5.346 -15.899 904 HA PRO 57 HA PRO 57 14.699 -2.710 -17.812 905 1HB PRO 57 2HB PRO 57 16.743 -4.373 -16.644 906 2HB PRO 57 1HB PRO 57 16.620 -2.610 -16.618 907 1HG PRO 57 2HG PRO 57 16.388 -4.210 -14.413 908 2HG PRO 57 1HG PRO 57 15.716 -2.576 -14.551 909 1HD PRO 57 2HD PRO 57 14.338 -5.218 -14.911 910 2HD PRO 57 1HD PRO 57 13.762 -3.746 -14.092 911 H LYS 58 H LYS 58 16.352 -4.147 -19.134 912 HA LYS 58 HA LYS 58 14.993 -6.661 -19.856 913 1HB LYS 58 2HB LYS 58 16.207 -4.497 -21.482 914 2HB LYS 58 1HB LYS 58 16.209 -6.131 -22.117 915 1HG LYS 58 2HG LYS 58 14.163 -5.416 -22.929 916 2HG LYS 58 1HG LYS 58 13.646 -6.041 -21.365 917 1HD LYS 58 2HD LYS 58 14.284 -3.527 -20.613 918 2HD LYS 58 1HD LYS 58 13.885 -3.213 -22.300 919 1HE LYS 58 2HE LYS 58 11.827 -2.953 -21.159 920 2HE LYS 58 1HE LYS 58 11.731 -4.570 -21.854 921 1HZ LYS 58 1HZ LYS 58 12.708 -5.331 -19.643 922 2HZ LYS 58 2HZ LYS 58 11.081 -4.842 -19.650 923 3HZ LYS 58 3HZ LYS 58 12.282 -3.798 -19.055 Start of MODEL 5 1 1H VAL 1 1HT VAL 1 14.331 -14.066 4.839 2 2H VAL 1 2HT VAL 1 12.841 -14.418 4.101 3 3H VAL 1 3HT VAL 1 13.361 -15.319 5.445 4 HA VAL 1 HA VAL 1 12.985 -13.606 6.932 5 HB VAL 1 HB VAL 1 14.157 -11.882 5.600 6 1HG1 VAL 1 1HG1 VAL 1 13.019 -10.682 3.808 7 2HG1 VAL 1 2HG1 VAL 1 11.568 -11.660 4.027 8 3HG1 VAL 1 3HG1 VAL 1 13.048 -12.401 3.419 9 1HG2 VAL 1 1HG2 VAL 1 12.565 -11.298 7.512 10 2HG2 VAL 1 2HG2 VAL 1 11.373 -10.889 6.278 11 3HG2 VAL 1 3HG2 VAL 1 12.891 -9.997 6.368 12 H ASP 2 H ASP 2 10.940 -13.169 7.757 13 HA ASP 2 HA ASP 2 8.742 -14.489 6.496 14 1HB ASP 2 2HB ASP 2 9.090 -14.306 8.984 15 2HB ASP 2 1HB ASP 2 8.643 -12.605 8.865 16 H ASN 3 H ASN 3 6.681 -13.508 5.988 17 HA ASN 3 HA ASN 3 6.980 -11.138 4.360 18 1HB ASN 3 2HB ASN 3 4.748 -11.618 3.603 19 2HB ASN 3 1HB ASN 3 5.611 -13.150 3.717 20 1HD2 ASN 3 1HD2 ASN 3 5.305 -14.278 5.990 21 2HD2 ASN 3 2HD2 ASN 3 3.739 -14.209 6.642 22 H LYS 4 H LYS 4 6.805 -11.280 7.555 23 HA LYS 4 HA LYS 4 4.575 -9.829 8.397 24 1HB LYS 4 2HB LYS 4 6.074 -10.880 9.986 25 2HB LYS 4 1HB LYS 4 7.404 -9.840 9.487 26 1HG LYS 4 2HG LYS 4 4.975 -8.367 10.314 27 2HG LYS 4 1HG LYS 4 5.700 -9.328 11.600 28 1HD LYS 4 2HD LYS 4 7.481 -7.935 11.787 29 2HD LYS 4 1HD LYS 4 7.711 -7.857 10.043 30 1HE LYS 4 2HE LYS 4 7.158 -5.634 10.919 31 2HE LYS 4 1HE LYS 4 5.857 -6.214 9.883 32 1HZ LYS 4 1HZ LYS 4 4.623 -6.888 11.821 33 2HZ LYS 4 2HZ LYS 4 5.044 -5.248 11.963 34 3HZ LYS 4 3HZ LYS 4 5.894 -6.426 12.844 35 H PHE 5 H PHE 5 7.764 -8.588 7.363 36 HA PHE 5 HA PHE 5 7.098 -5.870 7.696 37 1HB PHE 5 2HB PHE 5 9.163 -5.352 6.692 38 2HB PHE 5 1HB PHE 5 9.446 -6.886 7.505 39 HD1 PHE 5 1HD PHE 5 9.362 -9.029 6.155 40 HD2 PHE 5 2HD PHE 5 9.388 -5.142 4.320 41 HE1 PHE 5 1HE PHE 5 10.044 -10.050 4.003 42 HE2 PHE 5 2HE PHE 5 10.074 -6.166 2.171 43 HZ PHE 5 HZ PHE 5 10.404 -8.618 2.013 44 H ASN 6 H ASN 6 6.877 -8.097 4.941 45 HA ASN 6 HA ASN 6 6.151 -6.174 2.989 46 1HB ASN 6 2HB ASN 6 6.909 -8.537 2.562 47 2HB ASN 6 1HB ASN 6 5.320 -9.074 3.105 48 1HD2 ASN 6 1HD2 ASN 6 4.605 -9.845 1.066 49 2HD2 ASN 6 2HD2 ASN 6 4.329 -8.817 -0.263 50 H LYS 7 H LYS 7 4.283 -8.291 5.126 51 HA LYS 7 HA LYS 7 1.726 -7.551 4.197 52 1HB LYS 7 2HB LYS 7 2.357 -9.566 5.657 53 2HB LYS 7 1HB LYS 7 2.368 -8.443 7.015 54 1HG LYS 7 2HG LYS 7 0.049 -7.915 6.714 55 2HG LYS 7 1HG LYS 7 -0.001 -8.733 5.152 56 1HD LYS 7 2HD LYS 7 0.878 -10.414 7.434 57 2HD LYS 7 1HD LYS 7 -0.805 -9.891 7.483 58 1HE LYS 7 2HE LYS 7 -1.171 -10.790 5.222 59 2HE LYS 7 1HE LYS 7 0.526 -11.264 5.133 60 1HZ LYS 7 1HZ LYS 7 -1.116 -13.040 5.808 61 2HZ LYS 7 2HZ LYS 7 -1.260 -12.219 7.288 62 3HZ LYS 7 3HZ LYS 7 0.242 -12.851 6.807 63 H GLU 8 H GLU 8 3.886 -6.348 6.717 64 HA GLU 8 HA GLU 8 2.071 -4.377 7.674 65 1HB GLU 8 2HB GLU 8 3.881 -5.186 9.082 66 2HB GLU 8 1HB GLU 8 5.078 -4.565 7.946 67 1HG GLU 8 2HG GLU 8 4.073 -2.254 8.330 68 2HG GLU 8 1HG GLU 8 3.122 -2.965 9.630 69 H LEU 9 H LEU 9 4.629 -4.431 5.306 70 HA LEU 9 HA LEU 9 4.729 -1.665 4.658 71 1HB LEU 9 2HB LEU 9 6.472 -3.163 3.880 72 2HB LEU 9 1HB LEU 9 5.299 -4.158 3.025 73 HG LEU 9 HG LEU 9 4.742 -1.969 1.712 74 1HD1 LEU 9 1HD1 LEU 9 7.510 -1.112 1.877 75 2HD1 LEU 9 2HD1 LEU 9 6.684 -0.874 3.420 76 3HD1 LEU 9 3HD1 LEU 9 6.038 -0.174 1.931 77 1HD2 LEU 9 1HD2 LEU 9 6.584 -2.430 0.150 78 2HD2 LEU 9 2HD2 LEU 9 5.791 -3.897 0.722 79 3HD2 LEU 9 3HD2 LEU 9 7.357 -3.431 1.383 80 H GLY 10 H GLY 10 2.734 -4.347 3.574 81 1HA GLY 10 2HA GLY 10 1.254 -2.778 1.733 82 2HA GLY 10 1HA GLY 10 0.867 -4.397 2.280 83 H TRP 11 H TRP 11 0.840 -3.935 5.066 84 HA TRP 11 HA TRP 11 -1.752 -2.939 5.230 85 1HB TRP 11 2HB TRP 11 -0.518 -4.676 6.788 86 2HB TRP 11 1HB TRP 11 -0.348 -3.222 7.776 87 HD1 TRP 11 HD TRP 11 -2.177 -3.791 9.518 88 HE1 TRP 11 1HE TRP 11 -4.747 -3.967 9.431 89 HE3 TRP 11 3HE TRP 11 -3.004 -3.751 4.434 90 HZ2 TRP 11 2HZ TRP 11 -6.853 -4.008 7.519 91 HZ3 TRP 11 3HZ TRP 11 -5.248 -3.811 3.525 92 HH2 TRP 11 HH TRP 11 -7.212 -3.960 5.061 93 H ALA 12 H ALA 12 1.205 -1.603 6.536 94 HA ALA 12 HA ALA 12 -0.009 0.605 7.686 95 1HB ALA 12 1HB ALA 12 2.215 0.391 8.298 96 2HB ALA 12 2HB ALA 12 2.347 1.676 7.093 97 3HB ALA 12 3HB ALA 12 2.732 0.013 6.660 98 H THR 13 H THR 13 1.030 -0.054 4.379 99 HA THR 13 HA THR 13 0.674 2.455 3.171 100 HB THR 13 HB THR 13 0.433 -0.389 2.278 101 HG1 THR 13 1HG THR 13 2.442 0.064 2.113 102 1HG2 THR 13 1HG2 THR 13 -1.209 0.613 0.880 103 2HG2 THR 13 2HG2 THR 13 0.275 0.573 -0.075 104 3HG2 THR 13 3HG2 THR 13 -0.242 2.079 0.682 105 H TRP 14 H TRP 14 -1.578 -0.198 3.748 106 HA TRP 14 HA TRP 14 -3.896 0.993 2.645 107 1HB TRP 14 2HB TRP 14 -3.428 -1.439 3.265 108 2HB TRP 14 1HB TRP 14 -3.809 -0.984 4.912 109 HD1 TRP 14 HD TRP 14 -6.269 -0.843 5.576 110 HE1 TRP 14 1HE TRP 14 -8.493 -1.183 4.327 111 HE3 TRP 14 3HE TRP 14 -4.582 -0.906 0.738 112 HZ2 TRP 14 2HZ TRP 14 -9.419 -1.462 1.645 113 HZ3 TRP 14 3HZ TRP 14 -6.149 -1.222 -1.099 114 HH2 TRP 14 HH TRP 14 -8.534 -1.500 -0.657 115 H GLU 15 H GLU 15 -2.705 0.743 5.977 116 HA GLU 15 HA GLU 15 -4.875 2.000 7.234 117 1HB GLU 15 2HB GLU 15 -1.966 1.765 8.039 118 2HB GLU 15 1HB GLU 15 -3.258 2.304 9.116 119 1HG GLU 15 2HG GLU 15 -4.400 0.188 8.952 120 2HG GLU 15 1HG GLU 15 -3.364 -0.350 7.633 121 H ILE 16 H ILE 16 -1.935 3.287 5.782 122 HA ILE 16 HA ILE 16 -2.377 6.040 6.545 123 HB ILE 16 HB ILE 16 -0.710 4.776 4.312 124 1HG1 ILE 16 2HG1 ILE 16 0.246 5.948 6.922 125 2HG1 ILE 16 1HG1 ILE 16 -0.103 4.249 6.748 126 1HG2 ILE 16 1HG2 ILE 16 -1.074 7.055 3.694 127 2HG2 ILE 16 2HG2 ILE 16 0.522 7.000 4.437 128 3HG2 ILE 16 3HG2 ILE 16 -0.854 7.611 5.349 129 1HD1 ILE 16 1HD1 ILE 16 1.616 5.309 4.600 130 2HD1 ILE 16 2HD1 ILE 16 1.823 3.868 5.604 131 3HD1 ILE 16 3HD1 ILE 16 2.338 5.437 6.210 132 H PHE 17 H PHE 17 -3.134 3.937 3.834 133 HA PHE 17 HA PHE 17 -4.200 5.805 1.987 134 1HB PHE 17 2HB PHE 17 -3.597 3.192 1.880 135 2HB PHE 17 1HB PHE 17 -5.309 3.036 2.195 136 HD1 PHE 17 1HD PHE 17 -2.764 4.335 -0.169 137 HD2 PHE 17 2HD PHE 17 -6.939 3.588 0.519 138 HE1 PHE 17 1HE PHE 17 -3.205 4.624 -2.581 139 HE2 PHE 17 2HE PHE 17 -7.392 3.892 -1.896 140 HZ PHE 17 HZ PHE 17 -5.521 4.401 -3.443 141 H ASN 18 H ASN 18 -5.538 3.988 4.676 142 HA ASN 18 HA ASN 18 -8.270 4.849 4.197 143 1HB ASN 18 2HB ASN 18 -6.956 3.101 6.280 144 2HB ASN 18 1HB ASN 18 -8.658 3.542 6.355 145 1HD2 ASN 18 1HD2 ASN 18 -6.479 2.458 3.666 146 2HD2 ASN 18 2HD2 ASN 18 -7.533 1.241 3.130 147 H LEU 19 H LEU 19 -5.695 6.498 5.512 148 HA LEU 19 HA LEU 19 -6.912 7.412 7.915 149 1HB LEU 19 2HB LEU 19 -4.486 8.108 6.409 150 2HB LEU 19 1HB LEU 19 -5.172 9.429 7.345 151 HG LEU 19 HG LEU 19 -4.448 6.679 8.429 152 1HD1 LEU 19 1HD1 LEU 19 -2.415 7.572 8.646 153 2HD1 LEU 19 2HD1 LEU 19 -3.109 8.750 9.752 154 3HD1 LEU 19 3HD1 LEU 19 -2.988 9.124 8.045 155 1HD2 LEU 19 1HD2 LEU 19 -6.221 8.686 9.452 156 2HD2 LEU 19 2HD2 LEU 19 -4.783 8.661 10.463 157 3HD2 LEU 19 3HD2 LEU 19 -5.722 7.182 10.210 158 HA PRO 20 HA PRO 20 -9.751 10.128 5.857 159 1HB PRO 20 2HB PRO 20 -10.566 11.225 8.405 160 2HB PRO 20 1HB PRO 20 -11.392 10.016 7.410 161 1HG PRO 20 2HG PRO 20 -10.291 9.512 9.845 162 2HG PRO 20 1HG PRO 20 -10.500 8.286 8.580 163 1HD PRO 20 2HD PRO 20 -8.038 9.849 9.295 164 2HD PRO 20 1HD PRO 20 -8.201 8.122 8.933 165 H ASN 21 H ASN 21 -6.842 11.352 6.788 166 HA ASN 21 HA ASN 21 -7.843 14.101 6.253 167 1HB ASN 21 2HB ASN 21 -6.133 13.430 8.640 168 2HB ASN 21 1HB ASN 21 -6.502 15.053 8.091 169 1HD2 ASN 21 1HD2 ASN 21 -7.716 12.364 9.916 170 2HD2 ASN 21 2HD2 ASN 21 -9.235 13.031 10.269 171 H LEU 22 H LEU 22 -5.553 11.784 5.550 172 HA LEU 22 HA LEU 22 -3.356 13.599 5.009 173 1HB LEU 22 2HB LEU 22 -3.788 10.748 4.112 174 2HB LEU 22 1HB LEU 22 -2.278 11.656 3.992 175 HG LEU 22 HG LEU 22 -3.730 11.000 6.575 176 1HD1 LEU 22 1HD1 LEU 22 -1.400 9.755 6.806 177 2HD1 LEU 22 2HD1 LEU 22 -1.508 9.726 5.046 178 3HD1 LEU 22 3HD1 LEU 22 -2.779 8.992 6.019 179 1HD2 LEU 22 1HD2 LEU 22 -1.305 11.706 7.379 180 2HD2 LEU 22 2HD2 LEU 22 -2.547 12.930 7.117 181 3HD2 LEU 22 3HD2 LEU 22 -1.313 12.635 5.883 182 H ASN 23 H ASN 23 -2.575 14.223 2.956 183 HA ASN 23 HA ASN 23 -4.704 14.331 0.923 184 1HB ASN 23 2HB ASN 23 -3.563 16.170 -0.059 185 2HB ASN 23 1HB ASN 23 -3.534 16.451 1.677 186 1HD2 ASN 23 1HD2 ASN 23 -1.632 17.398 -0.487 187 2HD2 ASN 23 2HD2 ASN 23 -0.102 16.881 0.030 188 H GLY 24 H GLY 24 -3.994 14.077 -1.364 189 1HA GLY 24 2HA GLY 24 -3.152 11.536 -1.916 190 2HA GLY 24 1HA GLY 24 -3.020 12.862 -3.062 191 H VAL 25 H VAL 25 -1.077 14.400 -1.556 192 HA VAL 25 HA VAL 25 1.285 13.051 -2.462 193 HB VAL 25 HB VAL 25 0.893 15.650 -0.994 194 1HG1 VAL 25 1HG1 VAL 25 3.110 15.029 -0.426 195 2HG1 VAL 25 2HG1 VAL 25 3.322 15.974 -1.900 196 3HG1 VAL 25 3HG1 VAL 25 3.362 14.211 -1.969 197 1HG2 VAL 25 1HG2 VAL 25 0.050 15.816 -3.207 198 2HG2 VAL 25 2HG2 VAL 25 1.309 14.756 -3.850 199 3HG2 VAL 25 3HG2 VAL 25 1.708 16.405 -3.351 200 H GLN 26 H GLN 26 0.111 13.923 0.842 201 HA GLN 26 HA GLN 26 2.357 12.849 2.142 202 1HB GLN 26 2HB GLN 26 -0.392 13.578 2.972 203 2HB GLN 26 1HB GLN 26 0.524 12.521 4.038 204 1HG GLN 26 2HG GLN 26 2.077 14.128 4.562 205 2HG GLN 26 1HG GLN 26 2.012 14.860 2.955 206 1HE2 GLN 26 1HE2 GLN 26 -0.030 14.455 5.853 207 2HE2 GLN 26 2HE2 GLN 26 -0.747 15.987 5.749 208 H VAL 27 H VAL 27 -0.712 11.354 1.181 209 HA VAL 27 HA VAL 27 -0.201 8.826 2.370 210 HB VAL 27 HB VAL 27 -1.843 9.460 -0.104 211 1HG1 VAL 27 1HG1 VAL 27 -1.553 7.014 1.651 212 2HG1 VAL 27 2HG1 VAL 27 -1.454 7.115 -0.108 213 3HG1 VAL 27 3HG1 VAL 27 -3.012 7.294 0.697 214 1HG2 VAL 27 1HG2 VAL 27 -2.560 10.662 1.970 215 2HG2 VAL 27 2HG2 VAL 27 -2.679 9.111 2.799 216 3HG2 VAL 27 3HG2 VAL 27 -3.747 9.472 1.444 217 H LYS 28 H LYS 28 0.421 10.106 -0.887 218 HA LYS 28 HA LYS 28 1.679 7.792 -1.916 219 1HB LYS 28 2HB LYS 28 1.725 10.705 -2.722 220 2HB LYS 28 1HB LYS 28 2.748 9.512 -3.532 221 1HG LYS 28 2HG LYS 28 0.590 8.109 -3.776 222 2HG LYS 28 1HG LYS 28 -0.271 9.589 -3.403 223 1HD LYS 28 2HD LYS 28 1.614 9.106 -5.718 224 2HD LYS 28 1HD LYS 28 -0.116 9.398 -5.802 225 1HE LYS 28 2HE LYS 28 0.656 11.521 -6.284 226 2HE LYS 28 1HE LYS 28 0.551 11.641 -4.530 227 1HZ LYS 28 1HZ LYS 28 2.748 12.213 -5.898 228 2HZ LYS 28 2HZ LYS 28 3.031 10.565 -5.600 229 3HZ LYS 28 3HZ LYS 28 2.779 11.635 -4.304 230 H ALA 29 H ALA 29 2.864 10.493 -0.035 231 HA ALA 29 HA ALA 29 5.628 10.012 -0.345 232 1HB ALA 29 1HB ALA 29 4.609 12.150 0.473 233 2HB ALA 29 2HB ALA 29 5.917 11.532 1.480 234 3HB ALA 29 3HB ALA 29 4.241 11.313 1.981 235 H PHE 30 H PHE 30 3.230 9.090 2.066 236 HA PHE 30 HA PHE 30 5.007 7.757 3.762 237 1HB PHE 30 2HB PHE 30 2.052 7.399 3.328 238 2HB PHE 30 1HB PHE 30 2.971 6.677 4.644 239 HD1 PHE 30 1HD PHE 30 4.804 8.818 5.492 240 HD2 PHE 30 2HD PHE 30 0.659 9.075 4.299 241 HE1 PHE 30 1HE PHE 30 4.531 10.883 6.804 242 HE2 PHE 30 2HE PHE 30 0.421 11.124 5.635 243 HZ PHE 30 HZ PHE 30 2.347 12.018 6.875 244 H ILE 31 H ILE 31 3.068 6.876 0.977 245 HA ILE 31 HA ILE 31 3.652 4.113 0.974 246 HB ILE 31 HB ILE 31 2.729 6.039 -1.146 247 1HG1 ILE 31 2HG1 ILE 31 1.489 3.531 0.044 248 2HG1 ILE 31 1HG1 ILE 31 1.125 5.173 0.560 249 1HG2 ILE 31 1HG2 ILE 31 2.439 3.712 -2.466 250 2HG2 ILE 31 2HG2 ILE 31 3.887 3.304 -1.553 251 3HG2 ILE 31 3HG2 ILE 31 3.890 4.697 -2.630 252 1HD1 ILE 31 1HD1 ILE 31 0.697 4.115 -2.246 253 2HD1 ILE 31 2HD1 ILE 31 0.241 5.711 -1.650 254 3HD1 ILE 31 3HD1 ILE 31 -0.568 4.270 -1.026 255 H ASP 32 H ASP 32 5.147 6.898 -0.552 256 HA ASP 32 HA ASP 32 7.159 5.455 -1.890 257 1HB ASP 32 2HB ASP 32 6.955 8.346 -1.016 258 2HB ASP 32 1HB ASP 32 8.306 7.737 -1.978 259 H SER 33 H SER 33 7.031 6.873 1.289 260 HA SER 33 HA SER 33 9.755 6.410 2.006 261 1HB SER 33 2HB SER 33 7.274 6.682 3.732 262 2HB SER 33 1HB SER 33 8.938 6.729 4.319 263 HG SER 33 HG SER 33 7.771 8.479 2.407 264 H LEU 34 H LEU 34 6.766 4.655 2.183 265 HA LEU 34 HA LEU 34 7.494 2.313 3.643 266 1HB LEU 34 2HB LEU 34 5.357 3.307 1.870 267 2HB LEU 34 1HB LEU 34 5.603 1.593 1.786 268 HG LEU 34 HG LEU 34 5.606 2.517 4.519 269 1HD1 LEU 34 1HD1 LEU 34 3.394 3.343 2.708 270 2HD1 LEU 34 2HD1 LEU 34 3.980 4.119 4.174 271 3HD1 LEU 34 3HD1 LEU 34 2.951 2.696 4.281 272 1HD2 LEU 34 1HD2 LEU 34 5.355 0.255 4.112 273 2HD2 LEU 34 2HD2 LEU 34 4.215 0.491 2.815 274 3HD2 LEU 34 3HD2 LEU 34 3.719 0.748 4.492 275 H ARG 35 H ARG 35 7.305 3.012 0.202 276 HA ARG 35 HA ARG 35 8.360 0.617 -0.832 277 1HB ARG 35 2HB ARG 35 8.447 3.441 -1.914 278 2HB ARG 35 1HB ARG 35 8.843 2.004 -2.853 279 1HG ARG 35 2HG ARG 35 6.610 1.149 -2.607 280 2HG ARG 35 1HG ARG 35 6.214 2.393 -1.458 281 1HD ARG 35 2HD ARG 35 5.240 3.050 -3.544 282 2HD ARG 35 1HD ARG 35 6.609 4.108 -3.231 283 HE ARG 35 HE ARG 35 7.619 3.236 -5.095 284 1HH1 ARG 35 1HH1 ARG 35 5.367 0.942 -3.842 285 2HH1 ARG 35 2HH1 ARG 35 5.434 -0.083 -5.244 286 1HH2 ARG 35 1HH2 ARG 35 7.578 2.021 -6.989 287 2HH2 ARG 35 2HH2 ARG 35 6.709 0.526 -7.020 288 H ASP 36 H ASP 36 9.920 3.674 0.026 289 HA ASP 36 HA ASP 36 12.549 2.984 -0.757 290 1HB ASP 36 2HB ASP 36 11.716 5.303 -0.417 291 2HB ASP 36 1HB ASP 36 11.699 4.978 1.305 292 H ASP 37 H ASP 37 10.752 2.721 2.238 293 HA ASP 37 HA ASP 37 12.685 0.798 3.252 294 1HB ASP 37 2HB ASP 37 13.391 3.116 4.034 295 2HB ASP 37 1HB ASP 37 11.900 3.155 4.972 296 HA PRO 38 HA PRO 38 8.491 -0.567 4.158 297 1HB PRO 38 2HB PRO 38 9.501 -3.240 4.115 298 2HB PRO 38 1HB PRO 38 8.443 -2.447 2.963 299 1HG PRO 38 2HG PRO 38 11.043 -3.239 2.491 300 2HG PRO 38 1HG PRO 38 10.116 -2.085 1.521 301 1HD PRO 38 2HD PRO 38 12.252 -1.570 3.517 302 2HD PRO 38 1HD PRO 38 11.751 -0.606 2.107 303 H SER 39 H SER 39 11.486 -1.303 5.758 304 HA SER 39 HA SER 39 10.333 -2.642 8.014 305 1HB SER 39 2HB SER 39 12.467 -2.592 8.985 306 2HB SER 39 1HB SER 39 12.833 -2.602 7.265 307 HG SER 39 HG SER 39 12.787 -0.194 7.546 308 H GLN 40 H GLN 40 10.394 0.538 6.881 309 HA GLN 40 HA GLN 40 9.884 1.787 9.485 310 1HB GLN 40 2HB GLN 40 10.967 2.658 6.925 311 2HB GLN 40 1HB GLN 40 9.696 3.732 7.483 312 1HG GLN 40 2HG GLN 40 11.634 4.621 8.453 313 2HG GLN 40 1HG GLN 40 10.916 3.682 9.759 314 1HE2 GLN 40 1HE2 GLN 40 11.826 1.377 10.008 315 2HE2 GLN 40 2HE2 GLN 40 13.463 1.132 9.632 316 H SER 41 H SER 41 8.059 0.270 7.156 317 HA SER 41 HA SER 41 6.012 1.906 6.401 318 1HB SER 41 2HB SER 41 5.591 -0.903 7.437 319 2HB SER 41 1HB SER 41 4.643 -0.059 6.224 320 HG SER 41 HG SER 41 6.914 -1.462 5.956 321 H ALA 42 H ALA 42 6.334 0.319 9.571 322 HA ALA 42 HA ALA 42 3.792 1.059 10.596 323 1HB ALA 42 1HB ALA 42 5.106 -0.682 11.652 324 2HB ALA 42 2HB ALA 42 4.879 0.634 12.803 325 3HB ALA 42 3HB ALA 42 6.417 0.455 11.959 326 H ASN 43 H ASN 43 6.932 2.563 10.470 327 HA ASN 43 HA ASN 43 6.453 4.711 12.232 328 1HB ASN 43 2HB ASN 43 8.663 3.819 11.574 329 2HB ASN 43 1HB ASN 43 8.413 4.467 9.959 330 1HD2 ASN 43 1HD2 ASN 43 9.492 6.401 9.702 331 2HD2 ASN 43 2HD2 ASN 43 9.699 7.583 10.903 332 H LEU 44 H LEU 44 6.064 4.193 8.847 333 HA LEU 44 HA LEU 44 5.556 6.902 8.071 334 1HB LEU 44 2HB LEU 44 5.029 4.263 6.664 335 2HB LEU 44 1HB LEU 44 5.128 5.863 5.900 336 HG LEU 44 HG LEU 44 7.348 4.760 7.615 337 1HD1 LEU 44 1HD1 LEU 44 6.830 4.313 4.736 338 2HD1 LEU 44 2HD1 LEU 44 7.477 3.222 5.962 339 3HD1 LEU 44 3HD1 LEU 44 8.491 4.504 5.307 340 1HD2 LEU 44 1HD2 LEU 44 7.042 7.056 5.748 341 2HD2 LEU 44 2HD2 LEU 44 8.614 6.483 6.310 342 3HD2 LEU 44 3HD2 LEU 44 7.420 7.073 7.468 343 H LEU 45 H LEU 45 3.848 4.111 8.947 344 HA LEU 45 HA LEU 45 1.185 5.061 8.505 345 1HB LEU 45 2HB LEU 45 1.432 2.711 8.724 346 2HB LEU 45 1HB LEU 45 2.413 2.866 10.173 347 HG LEU 45 HG LEU 45 0.467 3.680 11.428 348 1HD1 LEU 45 1HD1 LEU 45 -1.794 3.440 10.238 349 2HD1 LEU 45 2HD1 LEU 45 -0.878 3.444 8.733 350 3HD1 LEU 45 3HD1 LEU 45 -0.817 4.841 9.806 351 1HD2 LEU 45 1HD2 LEU 45 0.005 1.128 9.858 352 2HD2 LEU 45 2HD2 LEU 45 -0.863 1.568 11.331 353 3HD2 LEU 45 3HD2 LEU 45 0.878 1.290 11.383 354 H ALA 46 H ALA 46 3.559 5.124 11.033 355 HA ALA 46 HA ALA 46 2.030 6.270 13.105 356 1HB ALA 46 1HB ALA 46 4.042 6.411 14.260 357 2HB ALA 46 2HB ALA 46 4.937 6.884 12.812 358 3HB ALA 46 3HB ALA 46 4.473 5.202 13.052 359 H GLU 47 H GLU 47 4.168 7.543 10.672 360 HA GLU 47 HA GLU 47 4.051 10.269 11.297 361 1HB GLU 47 2HB GLU 47 4.683 8.627 8.879 362 2HB GLU 47 1HB GLU 47 4.613 10.381 8.751 363 1HG GLU 47 2HG GLU 47 6.429 8.743 10.523 364 2HG GLU 47 1HG GLU 47 6.890 9.694 9.116 365 H ALA 48 H ALA 48 2.164 8.140 9.269 366 HA ALA 48 HA ALA 48 0.602 10.123 8.031 367 1HB ALA 48 1HB ALA 48 -0.880 8.100 7.616 368 2HB ALA 48 2HB ALA 48 0.313 7.177 8.522 369 3HB ALA 48 3HB ALA 48 0.770 7.995 7.030 370 H LYS 49 H LYS 49 0.142 8.046 10.873 371 HA LYS 49 HA LYS 49 -2.430 8.943 11.597 372 1HB LYS 49 2HB LYS 49 -0.241 7.460 12.855 373 2HB LYS 49 1HB LYS 49 -1.147 8.453 13.991 374 1HG LYS 49 2HG LYS 49 -2.246 6.329 13.910 375 2HG LYS 49 1HG LYS 49 -3.260 7.468 13.026 376 1HD LYS 49 2HD LYS 49 -2.229 6.684 10.893 377 2HD LYS 49 1HD LYS 49 -1.297 5.504 11.810 378 1HE LYS 49 2HE LYS 49 -3.452 4.655 10.730 379 2HE LYS 49 1HE LYS 49 -3.244 4.298 12.443 380 1HZ LYS 49 1HZ LYS 49 -4.585 6.795 11.738 381 2HZ LYS 49 2HZ LYS 49 -4.873 5.735 13.035 382 3HZ LYS 49 3HZ LYS 49 -5.449 5.357 11.482 383 H LYS 50 H LYS 50 0.779 10.222 12.009 384 HA LYS 50 HA LYS 50 0.050 12.278 13.832 385 1HB LYS 50 2HB LYS 50 2.340 11.268 13.635 386 2HB LYS 50 1HB LYS 50 2.501 12.085 12.085 387 1HG LYS 50 2HG LYS 50 2.231 14.270 13.168 388 2HG LYS 50 1HG LYS 50 1.975 13.482 14.727 389 1HD LYS 50 2HD LYS 50 4.264 14.073 14.769 390 2HD LYS 50 1HD LYS 50 4.273 12.367 14.325 391 1HE LYS 50 2HE LYS 50 4.351 13.092 11.899 392 2HE LYS 50 1HE LYS 50 4.593 14.743 12.468 393 1HZ LYS 50 1HZ LYS 50 6.356 12.397 12.844 394 2HZ LYS 50 2HZ LYS 50 6.506 13.796 13.797 395 3HZ LYS 50 3HZ LYS 50 6.724 13.883 12.115 396 H LEU 51 H LEU 51 0.616 12.073 10.386 397 HA LEU 51 HA LEU 51 0.229 14.835 9.886 398 1HB LEU 51 2HB LEU 51 0.527 12.386 8.231 399 2HB LEU 51 1HB LEU 51 -0.310 13.744 7.488 400 HG LEU 51 HG LEU 51 2.022 13.940 6.952 401 1HD1 LEU 51 1HD1 LEU 51 1.876 15.951 9.141 402 2HD1 LEU 51 2HD1 LEU 51 0.593 15.970 7.931 403 3HD1 LEU 51 3HD1 LEU 51 2.274 16.162 7.436 404 1HD2 LEU 51 1HD2 LEU 51 3.611 14.338 9.014 405 2HD2 LEU 51 2HD2 LEU 51 3.234 12.696 8.511 406 3HD2 LEU 51 3HD2 LEU 51 2.393 13.408 9.888 407 H ASN 52 H ASN 52 -1.793 11.984 9.739 408 HA ASN 52 HA ASN 52 -4.126 13.152 8.732 409 1HB ASN 52 2HB ASN 52 -3.777 10.744 8.858 410 2HB ASN 52 1HB ASN 52 -3.757 10.814 10.616 411 1HD2 ASN 52 1HD2 ASN 52 -5.808 11.179 11.716 412 2HD2 ASN 52 2HD2 ASN 52 -7.285 11.046 10.890 413 H ASP 53 H ASP 53 -2.926 12.582 12.020 414 HA ASP 53 HA ASP 53 -5.138 13.669 13.360 415 1HB ASP 53 2HB ASP 53 -3.520 12.255 14.512 416 2HB ASP 53 1HB ASP 53 -2.273 13.480 14.292 417 H ALA 54 H ALA 54 -2.119 15.057 12.218 418 HA ALA 54 HA ALA 54 -2.416 17.640 13.289 419 1HB ALA 54 1HB ALA 54 -0.834 18.272 11.409 420 2HB ALA 54 2HB ALA 54 -0.940 16.596 10.870 421 3HB ALA 54 3HB ALA 54 -0.271 16.970 12.457 422 H GLN 55 H GLN 55 -3.528 16.080 10.343 423 HA GLN 55 HA GLN 55 -4.784 18.525 9.336 424 1HB GLN 55 2HB GLN 55 -4.495 15.703 8.300 425 2HB GLN 55 1HB GLN 55 -5.457 16.933 7.468 426 1HG GLN 55 2HG GLN 55 -3.544 18.333 7.130 427 2HG GLN 55 1HG GLN 55 -2.561 17.379 8.240 428 1HE2 GLN 55 1HE2 GLN 55 -2.516 14.903 7.521 429 2HE2 GLN 55 2HE2 GLN 55 -2.217 14.654 5.871 430 H ALA 56 H ALA 56 -5.572 16.299 11.636 431 HA ALA 56 HA ALA 56 -8.331 15.806 10.928 432 1HB ALA 56 1HB ALA 56 -8.509 14.695 13.060 433 2HB ALA 56 2HB ALA 56 -7.006 15.424 13.623 434 3HB ALA 56 3HB ALA 56 -6.974 14.224 12.333 435 HA PRO 57 HA PRO 57 -10.143 19.310 12.804 436 1HB PRO 57 2HB PRO 57 -12.517 17.863 13.594 437 2HB PRO 57 1HB PRO 57 -12.274 18.848 12.145 438 1HG PRO 57 2HG PRO 57 -12.642 16.156 12.112 439 2HG PRO 57 1HG PRO 57 -11.750 17.047 10.866 440 1HD PRO 57 2HD PRO 57 -10.680 15.545 13.233 441 2HD PRO 57 1HD PRO 57 -10.127 15.515 11.540 442 H LYS 58 H LYS 58 -8.554 17.547 14.562 443 HA LYS 58 HA LYS 58 -8.158 17.054 16.778 444 1HB LYS 58 2HB LYS 58 -8.996 19.912 16.978 445 2HB LYS 58 1HB LYS 58 -7.911 19.081 18.077 446 1HG LYS 58 2HG LYS 58 -7.412 19.568 15.116 447 2HG LYS 58 1HG LYS 58 -6.666 20.465 16.435 448 1HD LYS 58 2HD LYS 58 -5.655 18.341 17.274 449 2HD LYS 58 1HD LYS 58 -6.343 17.491 15.890 450 1HE LYS 58 2HE LYS 58 -4.460 19.855 15.645 451 2HE LYS 58 1HE LYS 58 -3.943 18.170 15.567 452 1HZ LYS 58 1HZ LYS 58 -5.250 17.808 13.651 453 2HZ LYS 58 2HZ LYS 58 -4.398 19.253 13.376 454 3HZ LYS 58 3HZ LYS 58 -6.042 19.300 13.804 455 1H VAL 1 1HT VAL 1 -15.655 -2.951 2.146 456 2H VAL 1 2HT VAL 1 -14.240 -3.872 2.326 457 3H VAL 1 3HT VAL 1 -14.765 -2.862 3.587 458 HA VAL 1 HA VAL 1 -16.507 -4.231 4.171 459 HB VAL 1 HB VAL 1 -17.357 -4.434 1.831 460 1HG1 VAL 1 1HG1 VAL 1 -16.498 -6.089 0.319 461 2HG1 VAL 1 2HG1 VAL 1 -15.435 -6.762 1.553 462 3HG1 VAL 1 3HG1 VAL 1 -15.107 -5.164 0.884 463 1HG2 VAL 1 1HG2 VAL 1 -18.437 -6.560 2.141 464 2HG2 VAL 1 2HG2 VAL 1 -18.170 -5.895 3.752 465 3HG2 VAL 1 3HG2 VAL 1 -17.110 -7.162 3.134 466 H ASP 2 H ASP 2 -16.298 -6.168 5.338 467 HA ASP 2 HA ASP 2 -13.576 -7.073 5.717 468 1HB ASP 2 2HB ASP 2 -16.158 -8.019 6.996 469 2HB ASP 2 1HB ASP 2 -14.527 -8.411 7.541 470 H ASN 3 H ASN 3 -12.682 -8.938 5.012 471 HA ASN 3 HA ASN 3 -14.247 -11.174 4.134 472 1HB ASN 3 2HB ASN 3 -13.208 -11.157 1.810 473 2HB ASN 3 1HB ASN 3 -14.467 -9.952 2.094 474 1HD2 ASN 3 1HD2 ASN 3 -10.973 -10.390 1.676 475 2HD2 ASN 3 2HD2 ASN 3 -10.620 -8.745 1.455 476 H LYS 4 H LYS 4 -12.878 -12.951 3.335 477 HA LYS 4 HA LYS 4 -10.702 -13.486 5.040 478 1HB LYS 4 2HB LYS 4 -10.251 -15.281 3.131 479 2HB LYS 4 1HB LYS 4 -11.598 -15.448 4.254 480 1HG LYS 4 2HG LYS 4 -13.188 -14.837 2.664 481 2HG LYS 4 1HG LYS 4 -12.041 -13.893 1.718 482 1HD LYS 4 2HD LYS 4 -12.587 -15.936 0.503 483 2HD LYS 4 1HD LYS 4 -10.911 -16.017 1.045 484 1HE LYS 4 2HE LYS 4 -11.468 -17.450 2.863 485 2HE LYS 4 1HE LYS 4 -13.195 -17.191 2.627 486 1HZ LYS 4 1HZ LYS 4 -11.402 -18.472 0.638 487 2HZ LYS 4 2HZ LYS 4 -13.090 -18.323 0.535 488 3HZ LYS 4 3HZ LYS 4 -12.395 -19.324 1.717 489 H PHE 5 H PHE 5 -10.879 -12.459 1.703 490 HA PHE 5 HA PHE 5 -8.150 -12.482 1.115 491 1HB PHE 5 2HB PHE 5 -10.560 -11.205 -0.098 492 2HB PHE 5 1HB PHE 5 -8.965 -10.673 -0.635 493 HD1 PHE 5 1HD PHE 5 -10.460 -13.944 0.408 494 HD2 PHE 5 2HD PHE 5 -8.279 -11.759 -2.585 495 HE1 PHE 5 1HE PHE 5 -10.213 -16.018 -0.944 496 HE2 PHE 5 2HE PHE 5 -8.036 -13.826 -3.925 497 HZ PHE 5 HZ PHE 5 -8.994 -15.956 -3.098 498 H ASN 6 H ASN 6 -9.650 -10.513 3.382 499 HA ASN 6 HA ASN 6 -8.393 -8.011 2.903 500 1HB ASN 6 2HB ASN 6 -10.180 -8.485 4.656 501 2HB ASN 6 1HB ASN 6 -8.906 -9.205 5.638 502 1HD2 ASN 6 1HD2 ASN 6 -6.800 -7.578 5.603 503 2HD2 ASN 6 2HD2 ASN 6 -7.196 -5.975 5.989 504 H LYS 7 H LYS 7 -7.360 -10.902 4.675 505 HA LYS 7 HA LYS 7 -4.808 -9.967 5.469 506 1HB LYS 7 2HB LYS 7 -5.841 -12.005 6.402 507 2HB LYS 7 1HB LYS 7 -5.733 -12.786 4.826 508 1HG LYS 7 2HG LYS 7 -3.295 -12.665 4.880 509 2HG LYS 7 1HG LYS 7 -3.342 -11.750 6.388 510 1HD LYS 7 2HD LYS 7 -2.893 -13.976 7.071 511 2HD LYS 7 1HD LYS 7 -4.618 -13.774 7.367 512 1HE LYS 7 2HE LYS 7 -4.385 -15.887 6.265 513 2HE LYS 7 1HE LYS 7 -5.000 -14.778 5.042 514 1HZ LYS 7 1HZ LYS 7 -2.788 -16.318 4.795 515 2HZ LYS 7 2HZ LYS 7 -2.131 -14.810 5.216 516 3HZ LYS 7 3HZ LYS 7 -3.138 -14.952 3.854 517 H GLU 8 H GLU 8 -5.992 -11.680 2.632 518 HA GLU 8 HA GLU 8 -3.517 -11.982 1.281 519 1HB GLU 8 2HB GLU 8 -6.380 -11.911 0.249 520 2HB GLU 8 1HB GLU 8 -4.985 -12.420 -0.705 521 1HG GLU 8 2HG GLU 8 -6.028 -13.724 1.831 522 2HG GLU 8 1HG GLU 8 -6.090 -14.394 0.200 523 H ARG 9 H ARG 9 -5.924 -9.441 1.399 524 HA ARG 9 HA ARG 9 -5.064 -7.926 -0.822 525 1HB ARG 9 2HB ARG 9 -7.284 -7.701 0.290 526 2HB ARG 9 1HB ARG 9 -6.484 -6.996 1.691 527 1HG ARG 9 2HG ARG 9 -5.590 -5.184 0.230 528 2HG ARG 9 1HG ARG 9 -6.479 -5.874 -1.124 529 1HD ARG 9 2HD ARG 9 -7.757 -4.036 -0.121 530 2HD ARG 9 1HD ARG 9 -8.597 -5.564 0.110 531 HE ARG 9 HE ARG 9 -6.853 -4.578 2.271 532 1HH1 ARG 9 1HH1 ARG 9 -9.395 -6.598 1.792 533 2HH1 ARG 9 2HH1 ARG 9 -10.448 -5.917 2.986 534 1HH2 ARG 9 1HH2 ARG 9 -8.487 -3.110 3.494 535 2HH2 ARG 9 2HH2 ARG 9 -9.934 -3.945 3.947 536 H VAL 10 H VAL 10 -4.312 -7.917 2.632 537 HA VAL 10 HA VAL 10 -2.704 -5.626 2.770 538 HB VAL 10 HB VAL 10 -2.324 -8.145 4.374 539 1HG1 VAL 10 1HG1 VAL 10 -1.514 -5.289 4.719 540 2HG1 VAL 10 2HG1 VAL 10 -0.551 -6.753 4.878 541 3HG1 VAL 10 3HG1 VAL 10 -1.728 -6.334 6.125 542 1HG2 VAL 10 1HG2 VAL 10 -4.393 -7.858 5.214 543 2HG2 VAL 10 2HG2 VAL 10 -4.637 -6.415 4.239 544 3HG2 VAL 10 3HG2 VAL 10 -3.888 -6.288 5.838 545 H ILE 11 H ILE 11 -1.949 -8.953 1.882 546 HA ILE 11 HA ILE 11 0.878 -8.573 1.720 547 HB ILE 11 HB ILE 11 -0.797 -10.686 0.342 548 1HG1 ILE 11 2HG1 ILE 11 -0.129 -10.185 3.183 549 2HG1 ILE 11 1HG1 ILE 11 -1.361 -11.231 2.488 550 1HG2 ILE 11 1HG2 ILE 11 1.303 -11.968 0.373 551 2HG2 ILE 11 2HG2 ILE 11 2.122 -10.650 1.215 552 3HG2 ILE 11 3HG2 ILE 11 1.565 -10.430 -0.445 553 1HD1 ILE 11 1HD1 ILE 11 0.140 -12.687 3.630 554 2HD1 ILE 11 2HD1 ILE 11 1.556 -11.869 2.968 555 3HD1 ILE 11 3HD1 ILE 11 0.536 -12.862 1.921 556 H ALA 12 H ALA 12 -1.789 -8.305 -0.654 557 HA ALA 12 HA ALA 12 -0.129 -7.945 -2.950 558 1HB ALA 12 1HB ALA 12 -2.286 -6.626 -3.684 559 2HB ALA 12 2HB ALA 12 -2.981 -7.358 -2.235 560 3HB ALA 12 3HB ALA 12 -2.348 -8.381 -3.521 561 H ILE 13 H ILE 13 -1.727 -5.732 -0.694 562 HA ILE 13 HA ILE 13 -0.789 -3.330 -1.815 563 HB ILE 13 HB ILE 13 -1.255 -3.991 1.121 564 1HG1 ILE 13 2HG1 ILE 13 -3.190 -2.606 -0.707 565 2HG1 ILE 13 1HG1 ILE 13 -3.174 -4.360 -0.611 566 1HG2 ILE 13 1HG2 ILE 13 -1.167 -1.372 -0.397 567 2HG2 ILE 13 2HG2 ILE 13 -0.105 -1.868 0.912 568 3HG2 ILE 13 3HG2 ILE 13 -1.812 -1.540 1.237 569 1HD1 ILE 13 1HD1 ILE 13 -4.799 -3.380 0.958 570 2HD1 ILE 13 2HD1 ILE 13 -3.487 -2.469 1.704 571 3HD1 ILE 13 3HD1 ILE 13 -3.507 -4.221 1.808 572 H GLY 14 H GLY 14 0.623 -5.733 0.293 573 1HA GLY 14 2HA GLY 14 3.027 -4.318 0.926 574 2HA GLY 14 1HA GLY 14 2.757 -6.048 1.093 575 H GLU 15 H GLU 15 2.176 -6.676 -1.611 576 HA GLU 15 HA GLU 15 4.812 -6.991 -2.617 577 1HB GLU 15 2HB GLU 15 2.805 -8.509 -2.928 578 2HB GLU 15 1HB GLU 15 2.252 -7.387 -4.144 579 1HG GLU 15 2HG GLU 15 3.811 -8.074 -5.679 580 2HG GLU 15 1HG GLU 15 5.069 -8.191 -4.446 581 H ILE 16 H ILE 16 2.073 -4.954 -3.511 582 HA ILE 16 HA ILE 16 3.172 -3.829 -5.863 583 HB ILE 16 HB ILE 16 1.591 -2.135 -3.941 584 1HG1 ILE 16 2HG1 ILE 16 0.882 -4.796 -4.850 585 2HG1 ILE 16 1HG1 ILE 16 0.062 -3.742 -3.710 586 1HG2 ILE 16 1HG2 ILE 16 2.231 -1.119 -6.066 587 2HG2 ILE 16 2HG2 ILE 16 0.495 -1.384 -6.047 588 3HG2 ILE 16 3HG2 ILE 16 1.540 -2.468 -6.955 589 1HD1 ILE 16 1HD1 ILE 16 -0.979 -2.602 -5.597 590 2HD1 ILE 16 2HD1 ILE 16 -1.403 -4.313 -5.485 591 3HD1 ILE 16 3HD1 ILE 16 -0.228 -3.771 -6.687 592 H MET 17 H MET 17 3.216 -2.671 -2.565 593 HA MET 17 HA MET 17 4.894 -0.428 -2.840 594 1HB MET 17 2HB MET 17 4.505 -2.232 -0.465 595 2HB MET 17 1HB MET 17 5.098 -0.562 -0.448 596 1HG MET 17 2HG MET 17 2.425 -1.298 -1.651 597 2HG MET 17 1HG MET 17 2.592 -0.861 0.045 598 1HE MET 17 1HE MET 17 4.815 1.966 -0.282 599 2HE MET 17 2HE MET 17 4.021 0.741 0.719 600 3HE MET 17 3HE MET 17 3.271 2.332 0.500 601 H ARG 18 H ARG 18 5.644 -3.870 -2.502 602 HA ARG 18 HA ARG 18 8.422 -3.600 -1.958 603 1HB ARG 18 2HB ARG 18 6.828 -5.808 -3.175 604 2HB ARG 18 1HB ARG 18 8.547 -5.935 -2.909 605 1HG ARG 18 2HG ARG 18 6.967 -5.019 -0.583 606 2HG ARG 18 1HG ARG 18 6.660 -6.671 -1.098 607 1HD ARG 18 2HD ARG 18 9.423 -6.520 -1.171 608 2HD ARG 18 1HD ARG 18 9.015 -5.529 0.227 609 HE ARG 18 HE ARG 18 8.261 -7.444 1.316 610 1HH1 ARG 18 1HH1 ARG 18 6.479 -8.610 -0.749 611 2HH1 ARG 18 2HH1 ARG 18 7.294 -10.073 -1.189 612 1HH2 ARG 18 1HH2 ARG 18 10.326 -9.106 0.172 613 2HH2 ARG 18 2HH2 ARG 18 9.468 -10.354 -0.667 614 H LEU 19 H LEU 19 6.510 -3.815 -4.921 615 HA LEU 19 HA LEU 19 8.567 -4.132 -6.796 616 1HB LEU 19 2HB LEU 19 5.974 -2.633 -7.100 617 2HB LEU 19 1HB LEU 19 7.003 -3.113 -8.412 618 HG LEU 19 HG LEU 19 5.808 -5.081 -6.461 619 1HD1 LEU 19 1HD1 LEU 19 4.070 -5.493 -8.094 620 2HD1 LEU 19 2HD1 LEU 19 4.794 -4.333 -9.213 621 3HD1 LEU 19 3HD1 LEU 19 4.071 -3.779 -7.706 622 1HD2 LEU 19 1HD2 LEU 19 7.802 -5.343 -8.366 623 2HD2 LEU 19 2HD2 LEU 19 6.358 -5.920 -9.197 624 3HD2 LEU 19 3HD2 LEU 19 6.856 -6.656 -7.675 625 HA PRO 20 HA PRO 20 10.367 -0.069 -6.161 626 1HB PRO 20 2HB PRO 20 12.614 -0.917 -7.753 627 2HB PRO 20 1HB PRO 20 12.528 -0.701 -6.002 628 1HG PRO 20 2HG PRO 20 12.855 -3.098 -7.273 629 2HG PRO 20 1HG PRO 20 12.209 -2.899 -5.634 630 1HD PRO 20 2HD PRO 20 10.740 -3.372 -8.198 631 2HD PRO 20 1HD PRO 20 10.412 -3.994 -6.563 632 H ASN 21 H ASN 21 9.386 -1.546 -9.114 633 HA ASN 21 HA ASN 21 10.282 0.700 -10.764 634 1HB ASN 21 2HB ASN 21 8.748 -1.763 -11.568 635 2HB ASN 21 1HB ASN 21 9.475 -0.589 -12.647 636 1HD2 ASN 21 1HD2 ASN 21 10.087 -3.537 -12.268 637 2HD2 ASN 21 2HD2 ASN 21 11.753 -3.589 -11.945 638 H LEU 22 H LEU 22 7.397 -0.286 -9.063 639 HA LEU 22 HA LEU 22 5.544 1.054 -10.775 640 1HB LEU 22 2HB LEU 22 5.224 0.385 -7.855 641 2HB LEU 22 1HB LEU 22 3.945 0.926 -8.915 642 HG LEU 22 HG LEU 22 5.478 -1.669 -9.012 643 1HD1 LEU 22 1HD1 LEU 22 3.022 -2.484 -9.113 644 2HD1 LEU 22 2HD1 LEU 22 2.595 -0.843 -8.634 645 3HD1 LEU 22 3HD1 LEU 22 3.595 -1.834 -7.576 646 1HD2 LEU 22 1HD2 LEU 22 3.899 -1.990 -11.048 647 2HD2 LEU 22 2HD2 LEU 22 5.407 -1.110 -11.267 648 3HD2 LEU 22 3HD2 LEU 22 3.877 -0.238 -11.088 649 H ASN 23 H ASN 23 4.324 2.888 -10.340 650 HA ASN 23 HA ASN 23 5.915 5.126 -9.363 651 1HB ASN 23 2HB ASN 23 5.011 5.773 -11.360 652 2HB ASN 23 1HB ASN 23 3.696 4.654 -11.257 653 1HD2 ASN 23 1HD2 ASN 23 4.728 7.537 -9.395 654 2HD2 ASN 23 2HD2 ASN 23 3.200 8.266 -9.424 655 H SER 24 H SER 24 4.956 6.705 -7.891 656 HA SER 24 HA SER 24 3.816 5.596 -5.578 657 1HB SER 24 2HB SER 24 3.402 7.951 -4.912 658 2HB SER 24 1HB SER 24 5.016 7.744 -5.583 659 HG SER 24 HG SER 24 4.137 8.468 -7.598 660 H LEU 25 H LEU 25 2.371 7.358 -8.266 661 HA LEU 25 HA LEU 25 -0.302 7.232 -7.329 662 1HB LEU 25 2HB LEU 25 1.085 8.391 -9.564 663 2HB LEU 25 1HB LEU 25 -0.346 7.567 -10.113 664 HG LEU 25 HG LEU 25 -0.238 9.620 -7.942 665 1HD1 LEU 25 1HD1 LEU 25 -1.406 9.733 -10.733 666 2HD1 LEU 25 2HD1 LEU 25 0.051 10.573 -10.199 667 3HD1 LEU 25 3HD1 LEU 25 -1.517 11.014 -9.526 668 1HD2 LEU 25 1HD2 LEU 25 -2.214 7.631 -8.777 669 2HD2 LEU 25 2HD2 LEU 25 -2.867 9.266 -8.664 670 3HD2 LEU 25 3HD2 LEU 25 -2.097 8.522 -7.262 671 H GLN 26 H GLN 26 1.651 5.192 -9.473 672 HA GLN 26 HA GLN 26 -0.458 3.624 -10.498 673 1HB GLN 26 2HB GLN 26 2.480 3.160 -10.101 674 2HB GLN 26 1HB GLN 26 1.440 1.880 -10.716 675 1HG GLN 26 2HG GLN 26 0.734 3.346 -12.576 676 2HG GLN 26 1HG GLN 26 1.781 4.631 -11.959 677 1HE2 GLN 26 1HE2 GLN 26 3.442 1.857 -11.255 678 2HE2 GLN 26 2HE2 GLN 26 4.360 1.718 -12.672 679 H VAL 27 H VAL 27 1.618 3.317 -7.688 680 HA VAL 27 HA VAL 27 0.654 0.847 -6.772 681 HB VAL 27 HB VAL 27 1.975 3.126 -5.294 682 1HG1 VAL 27 1HG1 VAL 27 1.256 1.988 -3.448 683 2HG1 VAL 27 2HG1 VAL 27 2.531 0.848 -3.872 684 3HG1 VAL 27 3HG1 VAL 27 0.870 0.534 -4.367 685 1HG2 VAL 27 1HG2 VAL 27 3.408 0.600 -5.747 686 2HG2 VAL 27 2HG2 VAL 27 3.933 2.256 -6.051 687 3HG2 VAL 27 3HG2 VAL 27 2.946 1.408 -7.242 688 H VAL 28 H VAL 28 -0.253 4.183 -6.101 689 HA VAL 28 HA VAL 28 -2.291 3.623 -4.238 690 HB VAL 28 HB VAL 28 -2.007 5.930 -6.186 691 1HG1 VAL 28 1HG1 VAL 28 -4.209 5.205 -4.644 692 2HG1 VAL 28 2HG1 VAL 28 -3.901 6.799 -5.326 693 3HG1 VAL 28 3HG1 VAL 28 -3.403 6.433 -3.674 694 1HG2 VAL 28 1HG2 VAL 28 -0.457 6.785 -4.787 695 2HG2 VAL 28 2HG2 VAL 28 -0.398 5.216 -3.984 696 3HG2 VAL 28 3HG2 VAL 28 -1.466 6.478 -3.371 697 H ALA 29 H ALA 29 -2.130 3.655 -7.748 698 HA ALA 29 HA ALA 29 -4.879 3.526 -8.365 699 1HB ALA 29 1HB ALA 29 -3.217 1.943 -10.165 700 2HB ALA 29 2HB ALA 29 -2.442 3.480 -9.776 701 3HB ALA 29 3HB ALA 29 -4.061 3.463 -10.477 702 H PHE 30 H PHE 30 -2.418 1.092 -7.754 703 HA PHE 30 HA PHE 30 -4.117 -1.150 -8.053 704 1HB PHE 30 2HB PHE 30 -1.362 -0.776 -6.833 705 2HB PHE 30 1HB PHE 30 -2.128 -2.328 -7.133 706 HD1 PHE 30 1HD PHE 30 -3.436 -2.030 -9.751 707 HD2 PHE 30 2HD PHE 30 0.394 -0.528 -8.419 708 HE1 PHE 30 1HE PHE 30 -2.658 -1.877 -12.071 709 HE2 PHE 30 2HE PHE 30 1.136 -0.409 -10.744 710 HZ PHE 30 HZ PHE 30 -0.383 -1.086 -12.582 711 H ILE 31 H ILE 31 -2.933 0.724 -5.256 712 HA ILE 31 HA ILE 31 -4.052 -0.952 -3.255 713 HB ILE 31 HB ILE 31 -3.481 2.027 -3.236 714 1HG1 ILE 31 2HG1 ILE 31 -1.927 -0.204 -1.905 715 2HG1 ILE 31 1HG1 ILE 31 -1.554 0.336 -3.534 716 1HG2 ILE 31 1HG2 ILE 31 -5.084 1.569 -1.485 717 2HG2 ILE 31 2HG2 ILE 31 -3.496 1.703 -0.728 718 3HG2 ILE 31 3HG2 ILE 31 -4.210 0.117 -1.003 719 1HD1 ILE 31 1HD1 ILE 31 -1.268 2.645 -2.692 720 2HD1 ILE 31 2HD1 ILE 31 -0.141 1.529 -1.903 721 3HD1 ILE 31 3HD1 ILE 31 -1.594 2.075 -1.051 722 H ASN 32 H ASN 32 -5.230 1.827 -5.036 723 HA ASN 32 HA ASN 32 -7.788 2.003 -3.857 724 1HB ASN 32 2HB ASN 32 -6.635 3.746 -5.276 725 2HB ASN 32 1HB ASN 32 -7.022 2.766 -6.684 726 1HD2 ASN 32 1HD2 ASN 32 -8.266 4.760 -7.308 727 2HD2 ASN 32 2HD2 ASN 32 -9.846 4.949 -6.719 728 H SER 33 H SER 33 -6.448 -0.099 -6.376 729 HA SER 33 HA SER 33 -9.019 -0.978 -7.308 730 1HB SER 33 2HB SER 33 -6.190 -1.676 -7.937 731 2HB SER 33 1HB SER 33 -7.490 -2.755 -8.441 732 HG SER 33 HG SER 33 -7.273 0.027 -8.987 733 H LEU 34 H LEU 34 -6.662 -1.888 -4.924 734 HA LEU 34 HA LEU 34 -7.644 -4.508 -4.318 735 1HB LEU 34 2HB LEU 34 -6.142 -2.408 -2.718 736 2HB LEU 34 1HB LEU 34 -6.549 -3.980 -2.051 737 HG LEU 34 HG LEU 34 -5.159 -3.786 -4.702 738 1HD1 LEU 34 1HD1 LEU 34 -4.005 -2.781 -2.356 739 2HD1 LEU 34 2HD1 LEU 34 -3.170 -3.194 -3.846 740 3HD1 LEU 34 3HD1 LEU 34 -3.314 -4.396 -2.557 741 1HD2 LEU 34 1HD2 LEU 34 -6.256 -5.810 -3.427 742 2HD2 LEU 34 2HD2 LEU 34 -4.679 -5.855 -2.644 743 3HD2 LEU 34 3HD2 LEU 34 -4.796 -6.005 -4.398 744 H ARG 35 H ARG 35 -8.160 -1.288 -3.211 745 HA ARG 35 HA ARG 35 -10.277 -1.574 -1.356 746 1HB ARG 35 2HB ARG 35 -8.900 0.527 -2.728 747 2HB ARG 35 1HB ARG 35 -10.619 0.799 -2.945 748 1HG ARG 35 2HG ARG 35 -10.833 1.528 -0.830 749 2HG ARG 35 1HG ARG 35 -10.070 0.078 -0.188 750 1HD ARG 35 2HD ARG 35 -7.864 1.275 -1.100 751 2HD ARG 35 1HD ARG 35 -8.858 2.715 -0.899 752 HE ARG 35 HE ARG 35 -7.627 1.241 1.182 753 1HH1 ARG 35 1HH2 ARG 35 -10.361 0.560 1.960 754 2HH1 ARG 35 2HH2 ARG 35 -10.885 1.931 2.879 755 1HH2 ARG 35 1HH1 ARG 35 -8.394 4.017 1.678 756 2HH2 ARG 35 2HH1 ARG 35 -9.772 3.888 2.718 757 H ASP 36 H ASP 36 -10.295 -1.054 -4.865 758 HA ASP 36 HA ASP 36 -13.037 -0.807 -5.287 759 1HB ASP 36 2HB ASP 36 -11.255 -0.376 -6.984 760 2HB ASP 36 1HB ASP 36 -11.027 -2.113 -7.144 761 H ASP 37 H ASP 37 -11.017 -3.695 -5.072 762 HA ASP 37 HA ASP 37 -13.240 -5.334 -4.268 763 1HB ASP 37 2HB ASP 37 -12.142 -5.589 -7.058 764 2HB ASP 37 1HB ASP 37 -12.748 -7.005 -6.206 765 HA PRO 38 HA PRO 38 -9.463 -6.885 -2.415 766 1HB PRO 38 2HB PRO 38 -11.084 -8.537 -0.726 767 2HB PRO 38 1HB PRO 38 -10.167 -7.095 -0.296 768 1HG PRO 38 2HG PRO 38 -12.949 -7.359 -0.421 769 2HG PRO 38 1HG PRO 38 -12.026 -5.868 -0.208 770 1HD PRO 38 2HD PRO 38 -13.458 -6.821 -2.570 771 2HD PRO 38 1HD PRO 38 -12.799 -5.207 -2.228 772 H SER 39 H SER 39 -12.110 -8.605 -3.842 773 HA SER 39 HA SER 39 -11.121 -11.254 -3.699 774 1HB SER 39 2HB SER 39 -12.889 -10.029 -5.835 775 2HB SER 39 1HB SER 39 -12.726 -11.744 -5.462 776 HG SER 39 HG SER 39 -13.861 -9.672 -3.906 777 H GLN 40 H GLN 40 -10.673 -8.576 -5.931 778 HA GLN 40 HA GLN 40 -8.862 -10.161 -7.559 779 1HB GLN 40 2HB GLN 40 -9.265 -7.397 -8.395 780 2HB GLN 40 1HB GLN 40 -9.371 -8.874 -9.314 781 1HG GLN 40 2HG GLN 40 -11.618 -9.309 -8.570 782 2HG GLN 40 1HG GLN 40 -11.538 -7.995 -7.406 783 1HE2 GLN 40 1HE2 GLN 40 -10.454 -5.922 -8.897 784 2HE2 GLN 40 2HE2 GLN 40 -11.489 -5.532 -10.186 785 H SER 41 H SER 41 -8.227 -9.124 -4.781 786 HA SER 41 HA SER 41 -6.474 -6.971 -4.954 787 1HB SER 41 2HB SER 41 -6.386 -9.435 -3.184 788 2HB SER 41 1HB SER 41 -5.318 -8.055 -2.967 789 HG SER 41 HG SER 41 -7.966 -8.370 -2.343 790 H ALA 42 H ALA 42 -6.106 -10.319 -5.731 791 HA ALA 42 HA ALA 42 -3.285 -10.315 -6.197 792 1HB ALA 42 1HB ALA 42 -3.680 -12.519 -7.096 793 2HB ALA 42 2HB ALA 42 -5.403 -12.176 -7.290 794 3HB ALA 42 3HB ALA 42 -4.707 -12.323 -5.674 795 H ASN 43 H ASN 43 -6.130 -9.516 -8.026 796 HA ASN 43 HA ASN 43 -5.146 -9.782 -10.651 797 1HB ASN 43 2HB ASN 43 -7.513 -9.619 -9.752 798 2HB ASN 43 1HB ASN 43 -7.244 -7.872 -9.802 799 1HD2 ASN 43 1HD2 ASN 43 -6.410 -7.053 -12.034 800 2HD2 ASN 43 2HD2 ASN 43 -7.057 -7.796 -13.416 801 H LEU 44 H LEU 44 -5.768 -6.863 -8.709 802 HA LEU 44 HA LEU 44 -4.486 -5.270 -10.649 803 1HB LEU 44 2HB LEU 44 -5.098 -3.360 -9.394 804 2HB LEU 44 1HB LEU 44 -6.432 -4.485 -9.274 805 HG LEU 44 HG LEU 44 -5.876 -3.301 -7.161 806 1HD1 LEU 44 1HD1 LEU 44 -6.425 -5.041 -5.846 807 2HD1 LEU 44 2HD1 LEU 44 -5.470 -6.201 -6.769 808 3HD1 LEU 44 3HD1 LEU 44 -6.984 -5.577 -7.421 809 1HD2 LEU 44 1HD2 LEU 44 -3.325 -3.735 -7.738 810 2HD2 LEU 44 2HD2 LEU 44 -3.628 -5.090 -6.646 811 3HD2 LEU 44 3HD2 LEU 44 -3.908 -3.440 -6.119 812 H LEU 45 H LEU 45 -3.612 -7.005 -7.850 813 HA LEU 45 HA LEU 45 -1.070 -5.817 -7.351 814 1HB LEU 45 2HB LEU 45 -1.843 -7.269 -5.628 815 2HB LEU 45 1HB LEU 45 -2.285 -8.526 -6.780 816 HG LEU 45 HG LEU 45 0.077 -8.909 -7.309 817 1HD1 LEU 45 1HD1 LEU 45 0.852 -6.598 -6.930 818 2HD1 LEU 45 2HD1 LEU 45 1.827 -7.759 -6.048 819 3HD1 LEU 45 3HD1 LEU 45 0.614 -6.811 -5.198 820 1HD2 LEU 45 1HD2 LEU 45 0.501 -9.123 -4.482 821 2HD2 LEU 45 2HD2 LEU 45 0.095 -10.389 -5.637 822 3HD2 LEU 45 3HD2 LEU 45 -1.187 -9.490 -4.830 823 H ALA 46 H ALA 46 -2.466 -8.259 -9.367 824 HA ALA 46 HA ALA 46 -0.108 -9.281 -10.535 825 1HB ALA 46 1HB ALA 46 -1.721 -10.687 -11.312 826 2HB ALA 46 2HB ALA 46 -2.150 -9.434 -12.474 827 3HB ALA 46 3HB ALA 46 -2.998 -9.530 -10.932 828 H GLU 47 H GLU 47 -2.404 -6.742 -11.368 829 HA GLU 47 HA GLU 47 -1.256 -5.816 -13.750 830 1HB GLU 47 2HB GLU 47 -2.816 -4.329 -11.617 831 2HB GLU 47 1HB GLU 47 -2.408 -3.659 -13.193 832 1HG GLU 47 2HG GLU 47 -4.245 -5.949 -12.542 833 2HG GLU 47 1HG GLU 47 -4.629 -4.450 -13.357 834 H ALA 48 H ALA 48 -0.562 -5.218 -10.369 835 HA ALA 48 HA ALA 48 1.175 -2.985 -10.746 836 1HB ALA 48 1HB ALA 48 0.224 -4.764 -8.618 837 2HB ALA 48 2HB ALA 48 0.534 -3.028 -8.583 838 3HB ALA 48 3HB ALA 48 1.866 -4.164 -8.381 839 H LYS 49 H LYS 49 1.664 -6.381 -9.972 840 HA LYS 49 HA LYS 49 4.472 -6.355 -9.994 841 1HB LYS 49 2HB LYS 49 2.388 -8.472 -10.439 842 2HB LYS 49 1HB LYS 49 4.113 -8.848 -10.409 843 1HG LYS 49 2HG LYS 49 4.318 -8.165 -8.146 844 2HG LYS 49 1HG LYS 49 2.765 -7.333 -8.176 845 1HD LYS 49 2HD LYS 49 2.432 -9.411 -6.997 846 2HD LYS 49 1HD LYS 49 1.662 -9.574 -8.569 847 1HE LYS 49 2HE LYS 49 2.900 -11.589 -8.156 848 2HE LYS 49 1HE LYS 49 3.771 -10.680 -9.389 849 1HZ LYS 49 1HZ LYS 49 4.582 -11.393 -6.733 850 2HZ LYS 49 2HZ LYS 49 4.785 -9.737 -7.049 851 3HZ LYS 49 3HZ LYS 49 5.525 -10.892 -8.051 852 H LYS 50 H LYS 50 2.042 -6.660 -12.451 853 HA LYS 50 HA LYS 50 3.718 -7.251 -14.683 854 1HB LYS 50 2HB LYS 50 0.929 -6.191 -14.378 855 2HB LYS 50 1HB LYS 50 1.701 -6.309 -15.953 856 1HG LYS 50 2HG LYS 50 1.858 -8.670 -15.838 857 2HG LYS 50 1HG LYS 50 1.588 -8.693 -14.098 858 1HD LYS 50 2HD LYS 50 -0.431 -9.436 -15.328 859 2HD LYS 50 1HD LYS 50 -0.744 -7.952 -14.436 860 1HE LYS 50 2HE LYS 50 -0.458 -6.625 -16.473 861 2HE LYS 50 1HE LYS 50 -0.035 -8.075 -17.384 862 1HZ LYS 50 1HZ LYS 50 -2.373 -7.411 -17.651 863 2HZ LYS 50 2HZ LYS 50 -2.620 -7.646 -15.986 864 3HZ LYS 50 3HZ LYS 50 -2.213 -8.961 -16.982 865 H LEU 51 H LEU 51 2.379 -4.293 -13.253 866 HA LEU 51 HA LEU 51 3.347 -2.549 -15.289 867 1HB LEU 51 2HB LEU 51 1.999 -2.269 -12.713 868 2HB LEU 51 1HB LEU 51 3.226 -1.029 -12.955 869 HG LEU 51 HG LEU 51 0.955 -0.435 -13.848 870 1HD1 LEU 51 1HD1 LEU 51 2.536 0.931 -14.781 871 2HD1 LEU 51 2HD1 LEU 51 2.059 0.066 -16.245 872 3HD1 LEU 51 3HD1 LEU 51 3.516 -0.421 -15.371 873 1HD2 LEU 51 1HD2 LEU 51 1.221 -1.865 -16.345 874 2HD2 LEU 51 2HD2 LEU 51 -0.135 -1.868 -15.216 875 3HD2 LEU 51 3HD2 LEU 51 1.182 -3.023 -15.014 876 H ASN 52 H ASN 52 4.567 -3.670 -12.237 877 HA ASN 52 HA ASN 52 6.938 -2.119 -12.177 878 1HB ASN 52 2HB ASN 52 6.251 -3.271 -10.187 879 2HB ASN 52 1HB ASN 52 6.256 -4.823 -11.009 880 1HD2 ASN 52 1HD2 ASN 52 8.407 -5.629 -11.745 881 2HD2 ASN 52 2HD2 ASN 52 9.803 -5.174 -10.893 882 H ASP 53 H ASP 53 5.961 -5.161 -13.560 883 HA ASP 53 HA ASP 53 8.512 -5.904 -14.623 884 1HB ASP 53 2HB ASP 53 5.695 -6.715 -15.372 885 2HB ASP 53 1HB ASP 53 7.127 -7.406 -16.122 886 H ALA 54 H ALA 54 5.807 -3.996 -15.716 887 HA ALA 54 HA ALA 54 6.558 -3.647 -18.422 888 1HB ALA 54 1HB ALA 54 4.994 -1.627 -16.855 889 2HB ALA 54 2HB ALA 54 4.304 -3.209 -17.218 890 3HB ALA 54 3HB ALA 54 4.789 -2.136 -18.532 891 H GLN 55 H GLN 55 7.223 -1.836 -15.456 892 HA GLN 55 HA GLN 55 8.751 0.195 -16.885 893 1HB GLN 55 2HB GLN 55 8.048 -0.203 -14.018 894 2HB GLN 55 1HB GLN 55 8.995 1.151 -14.601 895 1HG GLN 55 2HG GLN 55 7.184 2.102 -15.701 896 2HG GLN 55 1HG GLN 55 6.363 0.554 -15.897 897 1HE2 GLN 55 1HE2 GLN 55 5.971 -0.500 -13.523 898 2HE2 GLN 55 2HE2 GLN 55 5.214 0.561 -12.437 899 H ALA 56 H ALA 56 9.337 -2.846 -15.606 900 HA ALA 56 HA ALA 56 11.880 -2.474 -14.381 901 1HB ALA 56 1HB ALA 56 10.173 -4.695 -15.025 902 2HB ALA 56 2HB ALA 56 11.503 -4.625 -13.874 903 3HB ALA 56 3HB ALA 56 11.815 -5.055 -15.554 904 HA PRO 57 HA PRO 57 14.586 -2.237 -17.798 905 1HB PRO 57 2HB PRO 57 16.639 -3.883 -16.619 906 2HB PRO 57 1HB PRO 57 16.496 -2.121 -16.582 907 1HG PRO 57 2HG PRO 57 16.272 -3.734 -14.385 908 2HG PRO 57 1HG PRO 57 15.572 -2.112 -14.521 909 1HD PRO 57 2HD PRO 57 14.243 -4.774 -14.921 910 2HD PRO 57 1HD PRO 57 13.639 -3.327 -14.078 911 H LYS 58 H LYS 58 16.194 -3.602 -19.160 912 HA LYS 58 HA LYS 58 15.107 -6.280 -19.707 913 1HB LYS 58 2HB LYS 58 15.324 -3.926 -21.470 914 2HB LYS 58 1HB LYS 58 15.692 -5.484 -22.181 915 1HG LYS 58 2HG LYS 58 13.492 -5.952 -22.341 916 2HG LYS 58 1HG LYS 58 13.307 -5.760 -20.602 917 1HD LYS 58 2HD LYS 58 13.457 -3.301 -22.330 918 2HD LYS 58 1HD LYS 58 11.950 -4.209 -22.265 919 1HE LYS 58 2HE LYS 58 13.430 -3.038 -19.891 920 2HE LYS 58 1HE LYS 58 11.932 -2.427 -20.584 921 1HZ LYS 58 1HZ LYS 58 11.100 -4.818 -20.145 922 2HZ LYS 58 2HZ LYS 58 11.179 -3.714 -18.855 923 3HZ LYS 58 3HZ LYS 58 12.389 -4.892 -19.045 Start of MODEL 6 1 1H VAL 1 1HT VAL 1 5.821 -20.029 5.191 2 2H VAL 1 2HT VAL 1 4.997 -20.167 6.671 3 3H VAL 1 3HT VAL 1 6.591 -20.736 6.526 4 HA VAL 1 HA VAL 1 6.263 -18.529 7.695 5 HB VAL 1 HB VAL 1 8.436 -19.438 6.823 6 1HG1 VAL 1 1HG1 VAL 1 7.888 -17.712 4.389 7 2HG1 VAL 1 2HG1 VAL 1 7.692 -19.464 4.405 8 3HG1 VAL 1 3HG1 VAL 1 9.283 -18.754 4.672 9 1HG2 VAL 1 1HG2 VAL 1 8.139 -17.136 7.937 10 2HG2 VAL 1 2HG2 VAL 1 8.268 -16.458 6.314 11 3HG2 VAL 1 3HG2 VAL 1 9.611 -17.374 6.996 12 H ASP 2 H ASP 2 6.199 -16.212 7.245 13 HA ASP 2 HA ASP 2 4.854 -15.442 4.739 14 1HB ASP 2 2HB ASP 2 3.091 -15.840 6.426 15 2HB ASP 2 1HB ASP 2 3.876 -14.694 7.510 16 H ASN 3 H ASN 3 5.120 -13.296 4.143 17 HA ASN 3 HA ASN 3 7.501 -12.000 5.188 18 1HB ASN 3 2HB ASN 3 5.585 -11.289 2.943 19 2HB ASN 3 1HB ASN 3 7.035 -10.365 3.343 20 1HD2 ASN 3 1HD2 ASN 3 5.864 -13.310 1.833 21 2HD2 ASN 3 2HD2 ASN 3 7.377 -13.849 1.283 22 H LYS 4 H LYS 4 6.750 -11.476 7.309 23 HA LYS 4 HA LYS 4 4.412 -10.063 7.916 24 1HB LYS 4 2HB LYS 4 5.538 -9.439 10.025 25 2HB LYS 4 1HB LYS 4 5.699 -11.154 9.654 26 1HG LYS 4 2HG LYS 4 7.920 -10.847 10.009 27 2HG LYS 4 1HG LYS 4 7.939 -10.061 8.432 28 1HD LYS 4 2HD LYS 4 8.899 -8.429 9.831 29 2HD LYS 4 1HD LYS 4 7.211 -7.928 9.745 30 1HE LYS 4 2HE LYS 4 6.815 -9.280 11.861 31 2HE LYS 4 1HE LYS 4 8.568 -9.438 11.990 32 1HZ LYS 4 1HZ LYS 4 7.759 -7.553 13.264 33 2HZ LYS 4 2HZ LYS 4 7.060 -6.880 11.868 34 3HZ LYS 4 3HZ LYS 4 8.749 -7.028 11.991 35 H PHE 5 H PHE 5 7.641 -8.826 7.085 36 HA PHE 5 HA PHE 5 7.050 -6.116 7.542 37 1HB PHE 5 2HB PHE 5 9.142 -5.632 6.665 38 2HB PHE 5 1HB PHE 5 9.360 -7.291 7.208 39 HD1 PHE 5 1HD PHE 5 9.341 -5.041 4.365 40 HD2 PHE 5 2HD PHE 5 9.157 -9.184 5.511 41 HE1 PHE 5 1HE PHE 5 9.934 -5.712 2.053 42 HE2 PHE 5 2HE PHE 5 9.753 -9.847 3.198 43 HZ PHE 5 HZ PHE 5 10.143 -8.111 1.471 44 H ASN 6 H ASN 6 6.805 -8.185 4.661 45 HA ASN 6 HA ASN 6 6.037 -6.149 2.834 46 1HB ASN 6 2HB ASN 6 6.813 -8.434 2.195 47 2HB ASN 6 1HB ASN 6 5.304 -9.079 2.829 48 1HD2 ASN 6 1HD2 ASN 6 4.561 -9.822 0.737 49 2HD2 ASN 6 2HD2 ASN 6 4.105 -8.735 -0.496 50 H LYS 7 H LYS 7 4.308 -8.401 4.901 51 HA LYS 7 HA LYS 7 1.680 -7.794 4.154 52 1HB LYS 7 2HB LYS 7 2.593 -9.729 5.600 53 2HB LYS 7 1HB LYS 7 2.578 -8.584 6.938 54 1HG LYS 7 2HG LYS 7 0.211 -8.303 6.794 55 2HG LYS 7 1HG LYS 7 0.146 -9.122 5.234 56 1HD LYS 7 2HD LYS 7 1.302 -10.682 7.486 57 2HD LYS 7 1HD LYS 7 -0.432 -10.374 7.553 58 1HE LYS 7 2HE LYS 7 -0.767 -11.378 5.375 59 2HE LYS 7 1HE LYS 7 0.977 -11.506 5.125 60 1HZ LYS 7 1HZ LYS 7 -0.613 -12.922 7.190 61 2HZ LYS 7 2HZ LYS 7 1.079 -12.979 7.066 62 3HZ LYS 7 3HZ LYS 7 0.112 -13.616 5.823 63 H GLU 8 H GLU 8 3.870 -6.486 6.579 64 HA GLU 8 HA GLU 8 2.006 -4.568 7.552 65 1HB GLU 8 2HB GLU 8 3.759 -5.412 8.987 66 2HB GLU 8 1HB GLU 8 5.004 -4.794 7.901 67 1HG GLU 8 2HG GLU 8 4.098 -2.470 8.323 68 2HG GLU 8 1HG GLU 8 3.013 -3.165 9.525 69 H LEU 9 H LEU 9 4.593 -4.524 5.216 70 HA LEU 9 HA LEU 9 4.736 -1.731 4.662 71 1HB LEU 9 2HB LEU 9 6.444 -3.234 3.827 72 2HB LEU 9 1HB LEU 9 5.248 -4.185 2.957 73 HG LEU 9 HG LEU 9 4.714 -1.988 1.689 74 1HD1 LEU 9 1HD1 LEU 9 7.450 -1.081 1.873 75 2HD1 LEU 9 2HD1 LEU 9 6.649 -0.945 3.444 76 3HD1 LEU 9 3HD1 LEU 9 5.961 -0.180 2.010 77 1HD2 LEU 9 1HD2 LEU 9 5.764 -3.837 0.608 78 2HD2 LEU 9 2HD2 LEU 9 7.313 -3.477 1.371 79 3HD2 LEU 9 3HD2 LEU 9 6.641 -2.375 0.163 80 H GLY 10 H GLY 10 2.671 -4.341 3.517 81 1HA GLY 10 2HA GLY 10 1.260 -2.711 1.681 82 2HA GLY 10 1HA GLY 10 0.812 -4.311 2.229 83 H TRP 11 H TRP 11 0.746 -3.920 4.968 84 HA TRP 11 HA TRP 11 -1.795 -2.776 5.145 85 1HB TRP 11 2HB TRP 11 -0.616 -4.648 6.612 86 2HB TRP 11 1HB TRP 11 -0.425 -3.248 7.675 87 HD1 TRP 11 HD TRP 11 -2.265 -3.888 9.347 88 HE1 TRP 11 1HE TRP 11 -4.839 -4.007 9.257 89 HE3 TRP 11 3HE TRP 11 -3.053 -3.538 4.294 90 HZ2 TRP 11 2HZ TRP 11 -6.931 -3.902 7.330 91 HZ3 TRP 11 3HZ TRP 11 -5.290 -3.519 3.362 92 HH2 TRP 11 HH TRP 11 -7.272 -3.718 4.874 93 H ALA 12 H ALA 12 1.233 -1.628 6.442 94 HA ALA 12 HA ALA 12 0.100 0.571 7.685 95 1HB ALA 12 1HB ALA 12 2.802 -0.112 6.631 96 2HB ALA 12 2HB ALA 12 2.320 0.340 8.261 97 3HB ALA 12 3HB ALA 12 2.494 1.580 7.016 98 H THR 13 H THR 13 1.120 -0.011 4.341 99 HA THR 13 HA THR 13 0.737 2.525 3.192 100 HB THR 13 HB THR 13 0.532 -0.293 2.217 101 HG1 THR 13 1HG THR 13 2.256 1.893 1.819 102 1HG2 THR 13 1HG2 THR 13 -0.037 2.236 0.673 103 2HG2 THR 13 2HG2 THR 13 -1.057 0.803 0.814 104 3HG2 THR 13 3HG2 THR 13 0.450 0.725 -0.095 105 H TRP 14 H TRP 14 -1.535 -0.154 3.700 106 HA TRP 14 HA TRP 14 -3.831 1.083 2.593 107 1HB TRP 14 2HB TRP 14 -3.453 -1.365 3.182 108 2HB TRP 14 1HB TRP 14 -3.806 -0.922 4.834 109 HD1 TRP 14 HD TRP 14 -6.242 -0.702 5.532 110 HE1 TRP 14 1HE TRP 14 -8.498 -0.973 4.332 111 HE3 TRP 14 3HE TRP 14 -4.685 -0.743 0.640 112 HZ2 TRP 14 2HZ TRP 14 -9.499 -1.191 1.676 113 HZ3 TRP 14 3HZ TRP 14 -6.301 -1.001 -1.151 114 HH2 TRP 14 HH TRP 14 -8.679 -1.226 -0.653 115 H GLU 15 H GLU 15 -2.677 0.797 5.939 116 HA GLU 15 HA GLU 15 -4.866 2.040 7.177 117 1HB GLU 15 2HB GLU 15 -1.962 1.822 8.008 118 2HB GLU 15 1HB GLU 15 -3.259 2.376 9.071 119 1HG GLU 15 2HG GLU 15 -4.398 0.262 8.941 120 2HG GLU 15 1HG GLU 15 -3.376 -0.293 7.619 121 H ILE 16 H ILE 16 -1.912 3.347 5.766 122 HA ILE 16 HA ILE 16 -2.402 6.098 6.508 123 HB ILE 16 HB ILE 16 -0.693 4.886 4.278 124 1HG1 ILE 16 2HG1 ILE 16 0.227 5.948 6.951 125 2HG1 ILE 16 1HG1 ILE 16 -0.104 4.260 6.693 126 1HG2 ILE 16 1HG2 ILE 16 -1.072 7.195 3.765 127 2HG2 ILE 16 2HG2 ILE 16 0.529 7.099 4.490 128 3HG2 ILE 16 3HG2 ILE 16 -0.835 7.673 5.441 129 1HD1 ILE 16 1HD1 ILE 16 2.333 5.507 6.231 130 2HD1 ILE 16 2HD1 ILE 16 1.628 5.413 4.611 131 3HD1 ILE 16 3HD1 ILE 16 1.848 3.946 5.573 132 H PHE 17 H PHE 17 -3.096 3.954 3.823 133 HA PHE 17 HA PHE 17 -4.150 5.756 1.909 134 1HB PHE 17 2HB PHE 17 -3.518 3.155 1.890 135 2HB PHE 17 1HB PHE 17 -5.228 2.982 2.193 136 HD1 PHE 17 1HD PHE 17 -6.850 3.462 0.484 137 HD2 PHE 17 2HD PHE 17 -2.677 4.211 -0.180 138 HE1 PHE 17 1HE PHE 17 -7.276 3.656 -1.946 139 HE2 PHE 17 2HE PHE 17 -3.087 4.412 -2.609 140 HZ PHE 17 HZ PHE 17 -5.390 4.128 -3.487 141 H ASN 18 H ASN 18 -5.548 3.972 4.596 142 HA ASN 18 HA ASN 18 -8.257 4.905 4.052 143 1HB ASN 18 2HB ASN 18 -7.092 3.002 6.092 144 2HB ASN 18 1HB ASN 18 -8.793 3.455 6.054 145 1HD2 ASN 18 1HD2 ASN 18 -6.444 2.570 3.445 146 2HD2 ASN 18 2HD2 ASN 18 -7.438 1.375 2.771 147 H LEU 19 H LEU 19 -5.718 6.437 5.496 148 HA LEU 19 HA LEU 19 -6.887 7.164 7.971 149 1HB LEU 19 2HB LEU 19 -4.519 7.982 6.459 150 2HB LEU 19 1HB LEU 19 -5.226 9.289 7.406 151 HG LEU 19 HG LEU 19 -4.478 6.544 8.491 152 1HD1 LEU 19 1HD1 LEU 19 -3.022 8.407 9.837 153 2HD1 LEU 19 2HD1 LEU 19 -3.073 9.105 8.234 154 3HD1 LEU 19 3HD1 LEU 19 -2.426 7.483 8.468 155 1HD2 LEU 19 1HD2 LEU 19 -5.986 8.843 9.572 156 2HD2 LEU 19 2HD2 LEU 19 -4.724 8.223 10.626 157 3HD2 LEU 19 3HD2 LEU 19 -6.011 7.152 10.064 158 HA PRO 20 HA PRO 20 -9.882 9.952 6.265 159 1HB PRO 20 2HB PRO 20 -10.551 10.897 8.914 160 2HB PRO 20 1HB PRO 20 -11.404 9.696 7.931 161 1HG PRO 20 2HG PRO 20 -10.118 9.127 10.255 162 2HG PRO 20 1HG PRO 20 -10.354 7.952 8.946 163 1HD PRO 20 2HD PRO 20 -7.925 9.635 9.542 164 2HD PRO 20 1HD PRO 20 -8.020 7.900 9.167 165 H ASN 21 H ASN 21 -6.946 11.151 7.129 166 HA ASN 21 HA ASN 21 -7.972 13.916 6.805 167 1HB ASN 21 2HB ASN 21 -6.304 12.967 9.111 168 2HB ASN 21 1HB ASN 21 -6.393 14.661 8.651 169 1HD2 ASN 21 1HD2 ASN 21 -7.861 12.310 10.589 170 2HD2 ASN 21 2HD2 ASN 21 -9.342 13.097 10.849 171 H LEU 22 H LEU 22 -5.764 11.658 5.797 172 HA LEU 22 HA LEU 22 -3.599 13.538 5.254 173 1HB LEU 22 2HB LEU 22 -3.972 10.668 4.387 174 2HB LEU 22 1HB LEU 22 -2.504 11.626 4.183 175 HG LEU 22 HG LEU 22 -3.801 10.971 6.845 176 1HD1 LEU 22 1HD1 LEU 22 -2.834 8.976 6.181 177 2HD1 LEU 22 2HD1 LEU 22 -1.503 9.757 7.035 178 3HD1 LEU 22 3HD1 LEU 22 -1.550 9.771 5.274 179 1HD2 LEU 22 1HD2 LEU 22 -1.416 11.758 7.561 180 2HD2 LEU 22 2HD2 LEU 22 -2.643 12.977 7.214 181 3HD2 LEU 22 3HD2 LEU 22 -1.407 12.585 6.006 182 H ASN 23 H ASN 23 -2.874 14.125 3.165 183 HA ASN 23 HA ASN 23 -5.067 14.182 1.192 184 1HB ASN 23 2HB ASN 23 -3.998 16.063 0.184 185 2HB ASN 23 1HB ASN 23 -4.004 16.352 1.917 186 1HD2 ASN 23 1HD2 ASN 23 -2.131 17.450 -0.142 187 2HD2 ASN 23 2HD2 ASN 23 -0.580 16.979 0.361 188 H GLY 24 H GLY 24 -4.388 13.973 -1.109 189 1HA GLY 24 2HA GLY 24 -3.430 11.472 -1.685 190 2HA GLY 24 1HA GLY 24 -3.401 12.804 -2.831 191 H VAL 25 H VAL 25 -1.518 14.426 -1.282 192 HA VAL 25 HA VAL 25 0.905 13.275 -2.300 193 HB VAL 25 HB VAL 25 0.411 15.774 -0.685 194 1HG1 VAL 25 1HG1 VAL 25 2.896 14.570 -1.905 195 2HG1 VAL 25 2HG1 VAL 25 2.693 15.271 -0.299 196 3HG1 VAL 25 3HG1 VAL 25 2.744 16.318 -1.716 197 1HG2 VAL 25 1HG2 VAL 25 0.989 16.733 -3.024 198 2HG2 VAL 25 2HG2 VAL 25 -0.598 15.988 -2.831 199 3HG2 VAL 25 3HG2 VAL 25 0.706 15.093 -3.617 200 H GLN 26 H GLN 26 -0.209 13.995 1.065 201 HA GLN 26 HA GLN 26 2.129 13.018 2.269 202 1HB GLN 26 2HB GLN 26 -0.613 13.615 3.198 203 2HB GLN 26 1HB GLN 26 0.366 12.564 4.214 204 1HG GLN 26 2HG GLN 26 1.849 14.216 4.764 205 2HG GLN 26 1HG GLN 26 1.782 14.948 3.156 206 1HE2 GLN 26 1HE2 GLN 26 -0.202 14.543 6.083 207 2HE2 GLN 26 2HE2 GLN 26 -0.972 16.047 5.960 208 H VAL 27 H VAL 27 -0.899 11.385 1.428 209 HA VAL 27 HA VAL 27 -0.205 8.861 2.525 210 HB VAL 27 HB VAL 27 -1.994 9.491 0.155 211 1HG1 VAL 27 1HG1 VAL 27 -1.497 7.171 0.043 212 2HG1 VAL 27 2HG1 VAL 27 -3.023 7.249 0.923 213 3HG1 VAL 27 3HG1 VAL 27 -1.511 7.002 1.800 214 1HG2 VAL 27 1HG2 VAL 27 -2.735 10.606 2.216 215 2HG2 VAL 27 2HG2 VAL 27 -2.597 9.092 3.108 216 3HG2 VAL 27 3HG2 VAL 27 -3.815 9.263 1.844 217 H LYS 28 H LYS 28 0.185 10.278 -0.689 218 HA LYS 28 HA LYS 28 1.443 8.101 -1.961 219 1HB LYS 28 2HB LYS 28 0.490 10.093 -3.130 220 2HB LYS 28 1HB LYS 28 1.800 11.083 -2.492 221 1HG LYS 28 2HG LYS 28 3.412 9.514 -3.660 222 2HG LYS 28 1HG LYS 28 2.015 8.747 -4.420 223 1HD LYS 28 2HD LYS 28 1.346 10.928 -5.383 224 2HD LYS 28 1HD LYS 28 2.756 11.685 -4.645 225 1HE LYS 28 2HE LYS 28 2.870 9.421 -6.662 226 2HE LYS 28 1HE LYS 28 3.132 11.121 -7.040 227 1HZ LYS 28 1HZ LYS 28 5.006 11.171 -5.565 228 2HZ LYS 28 2HZ LYS 28 5.211 9.889 -6.661 229 3HZ LYS 28 3HZ LYS 28 4.723 9.575 -5.063 230 H ALA 29 H ALA 29 2.669 10.688 0.069 231 HA ALA 29 HA ALA 29 5.432 10.230 -0.379 232 1HB ALA 29 1HB ALA 29 4.175 11.425 2.066 233 2HB ALA 29 2HB ALA 29 4.391 12.323 0.563 234 3HB ALA 29 3HB ALA 29 5.795 11.711 1.436 235 H PHE 30 H PHE 30 3.143 9.228 2.105 236 HA PHE 30 HA PHE 30 4.997 7.873 3.690 237 1HB PHE 30 2HB PHE 30 2.030 7.494 3.372 238 2HB PHE 30 1HB PHE 30 3.010 6.752 4.633 239 HD1 PHE 30 1HD PHE 30 0.678 9.172 4.401 240 HD2 PHE 30 2HD PHE 30 4.850 8.860 5.490 241 HE1 PHE 30 1HE PHE 30 0.488 11.194 5.791 242 HE2 PHE 30 2HE PHE 30 4.628 10.901 6.845 243 HZ PHE 30 HZ PHE 30 2.456 12.053 6.997 244 H ILE 31 H ILE 31 2.983 6.991 0.928 245 HA ILE 31 HA ILE 31 3.668 4.247 0.948 246 HB ILE 31 HB ILE 31 2.672 6.038 -1.268 247 1HG1 ILE 31 2HG1 ILE 31 1.386 3.779 0.307 248 2HG1 ILE 31 1HG1 ILE 31 1.091 5.491 0.566 249 1HG2 ILE 31 1HG2 ILE 31 3.990 3.473 -1.541 250 2HG2 ILE 31 2HG2 ILE 31 3.254 4.466 -2.793 251 3HG2 ILE 31 3HG2 ILE 31 2.284 3.280 -1.926 252 1HD1 ILE 31 1HD1 ILE 31 0.584 4.092 -2.067 253 2HD1 ILE 31 2HD1 ILE 31 0.095 5.726 -1.616 254 3HD1 ILE 31 3HD1 ILE 31 -0.653 4.332 -0.838 255 H ASP 32 H ASP 32 4.989 7.081 -0.669 256 HA ASP 32 HA ASP 32 6.991 5.808 -2.139 257 1HB ASP 32 2HB ASP 32 6.581 8.571 -1.109 258 2HB ASP 32 1HB ASP 32 8.207 8.152 -1.632 259 H SER 33 H SER 33 7.035 7.073 1.108 260 HA SER 33 HA SER 33 9.740 6.490 1.733 261 1HB SER 33 2HB SER 33 7.305 6.805 3.513 262 2HB SER 33 1HB SER 33 8.978 6.759 4.081 263 HG SER 33 HG SER 33 7.857 8.611 2.239 264 H LEU 34 H LEU 34 6.733 4.734 1.979 265 HA LEU 34 HA LEU 34 7.537 2.426 3.439 266 1HB LEU 34 2HB LEU 34 5.331 3.321 1.702 267 2HB LEU 34 1HB LEU 34 5.617 1.611 1.686 268 HG LEU 34 HG LEU 34 5.671 2.666 4.373 269 1HD1 LEU 34 1HD1 LEU 34 3.388 3.331 2.585 270 2HD1 LEU 34 2HD1 LEU 34 3.989 4.199 3.994 271 3HD1 LEU 34 3HD1 LEU 34 3.006 2.755 4.201 272 1HD2 LEU 34 1HD2 LEU 34 3.839 0.843 4.490 273 2HD2 LEU 34 2HD2 LEU 34 5.481 0.373 4.085 274 3HD2 LEU 34 3HD2 LEU 34 4.287 0.517 2.815 275 H ARG 35 H ARG 35 7.258 2.995 -0.066 276 HA ARG 35 HA ARG 35 8.341 0.522 -0.921 277 1HB ARG 35 2HB ARG 35 9.110 2.777 -2.646 278 2HB ARG 35 1HB ARG 35 8.190 1.333 -3.033 279 1HG ARG 35 2HG ARG 35 6.239 2.435 -1.802 280 2HG ARG 35 1HG ARG 35 7.210 3.897 -1.829 281 1HD ARG 35 2HD ARG 35 5.911 4.165 -3.737 282 2HD ARG 35 1HD ARG 35 7.375 3.441 -4.398 283 HE ARG 35 HE ARG 35 4.763 2.165 -4.113 284 1HH1 ARG 35 1HH1 ARG 35 6.245 2.070 -6.686 285 2HH1 ARG 35 2HH1 ARG 35 6.930 0.480 -6.668 286 1HH2 ARG 35 1HH2 ARG 35 6.473 0.067 -3.259 287 2HH2 ARG 35 2HH2 ARG 35 7.055 -0.663 -4.725 288 H ASP 36 H ASP 36 9.874 3.657 -0.345 289 HA ASP 36 HA ASP 36 12.508 2.988 -1.056 290 1HB ASP 36 2HB ASP 36 11.589 5.298 -0.770 291 2HB ASP 36 1HB ASP 36 11.644 5.020 0.959 292 H ASP 37 H ASP 37 10.706 2.756 1.918 293 HA ASP 37 HA ASP 37 12.665 0.911 3.006 294 1HB ASP 37 2HB ASP 37 13.361 3.265 3.709 295 2HB ASP 37 1HB ASP 37 11.882 3.310 4.665 296 HA PRO 38 HA PRO 38 8.475 -0.428 3.911 297 1HB PRO 38 2HB PRO 38 9.507 -3.092 4.077 298 2HB PRO 38 1HB PRO 38 8.470 -2.389 2.849 299 1HG PRO 38 2HG PRO 38 11.102 -3.174 2.515 300 2HG PRO 38 1HG PRO 38 10.166 -2.149 1.419 301 1HD PRO 38 2HD PRO 38 12.273 -1.389 3.346 302 2HD PRO 38 1HD PRO 38 11.705 -0.542 1.889 303 H SER 39 H SER 39 11.448 -1.202 5.590 304 HA SER 39 HA SER 39 10.337 -2.378 7.907 305 1HB SER 39 2HB SER 39 12.785 -2.385 7.304 306 2HB SER 39 1HB SER 39 12.850 -0.686 7.755 307 HG SER 39 HG SER 39 12.156 -1.290 9.838 308 H GLN 40 H GLN 40 10.663 0.858 6.740 309 HA GLN 40 HA GLN 40 9.967 2.132 9.241 310 1HB GLN 40 2HB GLN 40 10.937 2.968 6.597 311 2HB GLN 40 1HB GLN 40 9.748 4.065 7.284 312 1HG GLN 40 2HG GLN 40 11.867 4.832 8.045 313 2HG GLN 40 1HG GLN 40 11.119 4.033 9.423 314 1HE2 GLN 40 1HE2 GLN 40 13.987 4.183 7.637 315 2HE2 GLN 40 2HE2 GLN 40 14.663 2.704 8.121 316 H SER 41 H SER 41 8.190 0.496 6.968 317 HA SER 41 HA SER 41 6.057 2.065 6.241 318 1HB SER 41 2HB SER 41 4.766 -0.004 6.133 319 2HB SER 41 1HB SER 41 6.413 -0.324 5.612 320 HG SER 41 HG SER 41 6.840 -1.189 7.630 321 H ALA 42 H ALA 42 6.625 0.524 9.365 322 HA ALA 42 HA ALA 42 4.108 1.073 10.570 323 1HB ALA 42 1HB ALA 42 5.280 0.609 12.648 324 2HB ALA 42 2HB ALA 42 6.837 0.823 11.839 325 3HB ALA 42 3HB ALA 42 5.803 -0.550 11.425 326 H ASN 43 H ASN 43 7.181 2.698 10.363 327 HA ASN 43 HA ASN 43 6.670 4.827 12.124 328 1HB ASN 43 2HB ASN 43 8.660 4.145 10.015 329 2HB ASN 43 1HB ASN 43 8.621 5.799 10.635 330 1HD2 ASN 43 1HD2 ASN 43 9.902 2.702 11.202 331 2HD2 ASN 43 2HD2 ASN 43 10.371 2.925 12.818 332 H LEU 44 H LEU 44 6.201 4.329 8.730 333 HA LEU 44 HA LEU 44 5.576 7.022 8.010 334 1HB LEU 44 2HB LEU 44 5.124 4.364 6.620 335 2HB LEU 44 1HB LEU 44 5.064 5.963 5.852 336 HG LEU 44 HG LEU 44 7.454 5.082 7.460 337 1HD1 LEU 44 1HD1 LEU 44 7.492 3.446 5.837 338 2HD1 LEU 44 2HD1 LEU 44 8.522 4.712 5.176 339 3HD1 LEU 44 3HD1 LEU 44 6.865 4.522 4.588 340 1HD2 LEU 44 1HD2 LEU 44 7.266 7.390 7.172 341 2HD2 LEU 44 2HD2 LEU 44 6.876 7.212 5.462 342 3HD2 LEU 44 3HD2 LEU 44 8.499 6.833 6.041 343 H LEU 45 H LEU 45 3.973 4.169 8.889 344 HA LEU 45 HA LEU 45 1.279 5.037 8.508 345 1HB LEU 45 2HB LEU 45 1.616 2.689 8.720 346 2HB LEU 45 1HB LEU 45 2.587 2.879 10.174 347 HG LEU 45 HG LEU 45 0.616 3.621 11.428 348 1HD1 LEU 45 1HD1 LEU 45 -0.721 4.770 9.857 349 2HD1 LEU 45 2HD1 LEU 45 -1.645 3.311 10.208 350 3HD1 LEU 45 3HD1 LEU 45 -0.705 3.422 8.722 351 1HD2 LEU 45 1HD2 LEU 45 0.155 1.084 9.830 352 2HD2 LEU 45 2HD2 LEU 45 -0.637 1.486 11.356 353 3HD2 LEU 45 3HD2 LEU 45 1.106 1.229 11.309 354 H ALA 46 H ALA 46 3.669 5.151 11.026 355 HA ALA 46 HA ALA 46 2.111 6.260 13.095 356 1HB ALA 46 1HB ALA 46 4.136 6.548 14.242 357 2HB ALA 46 2HB ALA 46 5.029 6.846 12.748 358 3HB ALA 46 3HB ALA 46 4.506 5.210 13.155 359 H GLU 47 H GLU 47 4.234 7.585 10.662 360 HA GLU 47 HA GLU 47 4.043 10.299 11.332 361 1HB GLU 47 2HB GLU 47 4.718 8.725 8.881 362 2HB GLU 47 1HB GLU 47 4.610 10.483 8.798 363 1HG GLU 47 2HG GLU 47 6.500 8.800 10.434 364 2HG GLU 47 1HG GLU 47 6.891 9.935 9.150 365 H ALA 48 H ALA 48 2.194 8.146 9.303 366 HA ALA 48 HA ALA 48 0.587 10.109 8.081 367 1HB ALA 48 1HB ALA 48 0.349 7.153 8.550 368 2HB ALA 48 2HB ALA 48 0.838 7.982 7.072 369 3HB ALA 48 3HB ALA 48 -0.828 8.066 7.615 370 H LYS 49 H LYS 49 0.164 7.950 10.861 371 HA LYS 49 HA LYS 49 -2.418 8.805 11.613 372 1HB LYS 49 2HB LYS 49 -0.130 7.705 13.265 373 2HB LYS 49 1HB LYS 49 -1.753 7.979 13.899 374 1HG LYS 49 2HG LYS 49 -1.344 6.319 11.412 375 2HG LYS 49 1HG LYS 49 -1.152 5.599 13.008 376 1HD LYS 49 2HD LYS 49 -3.429 6.152 13.605 377 2HD LYS 49 1HD LYS 49 -3.632 7.117 12.145 378 1HE LYS 49 2HE LYS 49 -4.687 4.893 11.900 379 2HE LYS 49 1HE LYS 49 -3.362 5.100 10.755 380 1HZ LYS 49 1HZ LYS 49 -3.326 2.936 11.897 381 2HZ LYS 49 2HZ LYS 49 -3.124 3.736 13.384 382 3HZ LYS 49 3HZ LYS 49 -1.923 3.846 12.187 383 H LYS 50 H LYS 50 0.781 10.127 12.029 384 HA LYS 50 HA LYS 50 0.022 12.098 13.939 385 1HB LYS 50 2HB LYS 50 2.338 11.166 13.699 386 2HB LYS 50 1HB LYS 50 2.457 11.998 12.154 387 1HG LYS 50 2HG LYS 50 1.772 14.116 13.599 388 2HG LYS 50 1HG LYS 50 2.412 13.143 14.925 389 1HD LYS 50 2HD LYS 50 3.944 13.606 12.355 390 2HD LYS 50 1HD LYS 50 4.095 14.670 13.753 391 1HE LYS 50 2HE LYS 50 4.862 12.807 15.137 392 2HE LYS 50 1HE LYS 50 4.605 11.677 13.806 393 1HZ LYS 50 1HZ LYS 50 6.248 12.879 12.512 394 2HZ LYS 50 2HZ LYS 50 6.921 12.329 13.971 395 3HZ LYS 50 3HZ LYS 50 6.498 13.965 13.791 396 H LEU 51 H LEU 51 0.550 11.989 10.486 397 HA LEU 51 HA LEU 51 0.131 14.751 10.053 398 1HB LEU 51 2HB LEU 51 0.463 12.351 8.350 399 2HB LEU 51 1HB LEU 51 -0.427 13.692 7.637 400 HG LEU 51 HG LEU 51 1.906 13.942 7.095 401 1HD1 LEU 51 1HD1 LEU 51 1.703 15.993 9.229 402 2HD1 LEU 51 2HD1 LEU 51 0.364 15.917 8.085 403 3HD1 LEU 51 3HD1 LEU 51 2.007 16.182 7.503 404 1HD2 LEU 51 1HD2 LEU 51 3.194 12.814 8.662 405 2HD2 LEU 51 2HD2 LEU 51 2.263 13.430 10.026 406 3HD2 LEU 51 3HD2 LEU 51 3.428 14.471 9.207 407 H ASN 52 H ASN 52 -1.940 11.905 9.813 408 HA ASN 52 HA ASN 52 -4.219 13.263 8.873 409 1HB ASN 52 2HB ASN 52 -5.086 11.187 8.817 410 2HB ASN 52 1HB ASN 52 -3.524 10.626 9.374 411 1HD2 ASN 52 1HD2 ASN 52 -6.822 11.207 10.323 412 2HD2 ASN 52 2HD2 ASN 52 -6.701 10.527 11.872 413 H ASP 53 H ASP 53 -2.985 12.398 12.087 414 HA ASP 53 HA ASP 53 -5.151 13.402 13.568 415 1HB ASP 53 2HB ASP 53 -3.535 11.917 14.586 416 2HB ASP 53 1HB ASP 53 -2.258 13.111 14.369 417 H ALA 54 H ALA 54 -2.197 14.863 12.361 418 HA ALA 54 HA ALA 54 -2.467 17.380 13.614 419 1HB ALA 54 1HB ALA 54 -0.330 16.823 12.715 420 2HB ALA 54 2HB ALA 54 -0.948 18.120 11.692 421 3HB ALA 54 3HB ALA 54 -1.015 16.447 11.135 422 H GLN 55 H GLN 55 -3.599 15.972 10.599 423 HA GLN 55 HA GLN 55 -4.933 18.434 9.750 424 1HB GLN 55 2HB GLN 55 -4.612 15.680 8.554 425 2HB GLN 55 1HB GLN 55 -5.596 16.943 7.804 426 1HG GLN 55 2HG GLN 55 -3.689 18.386 7.548 427 2HG GLN 55 1HG GLN 55 -2.685 17.342 8.553 428 1HE2 GLN 55 1HE2 GLN 55 -2.800 14.892 7.621 429 2HE2 GLN 55 2HE2 GLN 55 -2.497 14.788 5.955 430 H ALA 56 H ALA 56 -5.651 16.354 12.078 431 HA ALA 56 HA ALA 56 -8.239 15.380 11.451 432 1HB ALA 56 1HB ALA 56 -8.456 14.934 13.836 433 2HB ALA 56 2HB ALA 56 -7.082 15.981 14.180 434 3HB ALA 56 3HB ALA 56 -6.842 14.478 13.294 435 HA PRO 57 HA PRO 57 -10.796 18.863 12.079 436 1HB PRO 57 2HB PRO 57 -12.961 17.285 13.173 437 2HB PRO 57 1HB PRO 57 -12.735 17.827 11.505 438 1HG PRO 57 2HG PRO 57 -12.640 15.231 12.287 439 2HG PRO 57 1HG PRO 57 -11.780 15.871 10.877 440 1HD PRO 57 2HD PRO 57 -10.737 15.365 13.640 441 2HD PRO 57 1HD PRO 57 -10.011 14.940 12.070 442 H LYS 58 H LYS 58 -9.052 18.421 14.273 443 HA LYS 58 HA LYS 58 -10.350 18.560 16.789 444 1HB LYS 58 2HB LYS 58 -7.632 19.459 15.924 445 2HB LYS 58 1HB LYS 58 -8.163 19.438 17.599 446 1HG LYS 58 2HG LYS 58 -8.630 16.995 17.376 447 2HG LYS 58 1HG LYS 58 -7.984 17.048 15.736 448 1HD LYS 58 2HD LYS 58 -5.816 17.890 16.659 449 2HD LYS 58 1HD LYS 58 -6.472 17.696 18.287 450 1HE LYS 58 2HE LYS 58 -6.914 15.254 17.670 451 2HE LYS 58 1HE LYS 58 -5.924 15.536 16.238 452 1HZ LYS 58 1HZ LYS 58 -4.746 16.470 18.700 453 2HZ LYS 58 2HZ LYS 58 -4.058 15.564 17.437 454 3HZ LYS 58 3HZ LYS 58 -4.974 14.790 18.641 455 1H VAL 1 1HT VAL 1 -16.564 -2.255 -0.781 456 2H VAL 1 2HT VAL 1 -17.956 -2.809 0.020 457 3H VAL 1 3HT VAL 1 -18.017 -2.441 -1.638 458 HA VAL 1 HA VAL 1 -17.944 -4.848 -1.199 459 HB VAL 1 HB VAL 1 -16.060 -5.311 -2.779 460 1HG1 VAL 1 1HG1 VAL 1 -17.677 -2.860 -3.549 461 2HG1 VAL 1 2HG1 VAL 1 -18.296 -4.511 -3.576 462 3HG1 VAL 1 3HG1 VAL 1 -16.974 -4.048 -4.647 463 1HG2 VAL 1 1HG2 VAL 1 -15.523 -2.329 -2.510 464 2HG2 VAL 1 2HG2 VAL 1 -14.707 -3.438 -3.608 465 3HG2 VAL 1 3HG2 VAL 1 -14.488 -3.606 -1.869 466 H ASP 2 H ASP 2 -16.952 -6.564 -0.198 467 HA ASP 2 HA ASP 2 -14.409 -6.181 1.188 468 1HB ASP 2 2HB ASP 2 -16.949 -6.931 2.668 469 2HB ASP 2 1HB ASP 2 -15.328 -6.919 3.356 470 H ASN 3 H ASN 3 -13.610 -8.218 2.129 471 HA ASN 3 HA ASN 3 -14.834 -10.705 1.454 472 1HB ASN 3 2HB ASN 3 -13.435 -9.548 -0.636 473 2HB ASN 3 1HB ASN 3 -12.231 -10.607 0.091 474 1HD2 ASN 3 1HD2 ASN 3 -13.066 -12.950 0.507 475 2HD2 ASN 3 2HD2 ASN 3 -14.107 -13.603 -0.661 476 H LYS 4 H LYS 4 -13.340 -12.568 1.995 477 HA LYS 4 HA LYS 4 -12.148 -12.134 4.544 478 1HB LYS 4 2HB LYS 4 -11.400 -14.519 4.334 479 2HB LYS 4 1HB LYS 4 -13.126 -14.290 4.076 480 1HG LYS 4 2HG LYS 4 -12.974 -15.192 2.021 481 2HG LYS 4 1HG LYS 4 -11.792 -13.983 1.550 482 1HD LYS 4 2HD LYS 4 -11.011 -16.418 3.162 483 2HD LYS 4 1HD LYS 4 -11.062 -16.447 1.403 484 1HE LYS 4 2HE LYS 4 -9.613 -14.178 1.797 485 2HE LYS 4 1HE LYS 4 -9.130 -15.106 3.214 486 1HZ LYS 4 1HZ LYS 4 -8.784 -16.997 1.566 487 2HZ LYS 4 2HZ LYS 4 -7.642 -15.739 1.565 488 3HZ LYS 4 3HZ LYS 4 -8.839 -15.805 0.360 489 H PHE 5 H PHE 5 -11.046 -11.521 1.480 490 HA PHE 5 HA PHE 5 -8.304 -12.202 1.710 491 1HB PHE 5 2HB PHE 5 -9.906 -10.488 -0.181 492 2HB PHE 5 1HB PHE 5 -8.149 -10.608 -0.305 493 HD1 PHE 5 1HD PHE 5 -7.223 -12.369 -1.544 494 HD2 PHE 5 2HD PHE 5 -11.171 -12.767 0.094 495 HE1 PHE 5 1HE PHE 5 -7.445 -14.581 -2.634 496 HE2 PHE 5 2HE PHE 5 -11.402 -14.980 -1.010 497 HZ PHE 5 HZ PHE 5 -9.529 -15.886 -2.363 498 H ASN 6 H ASN 6 -9.682 -10.262 3.769 499 HA ASN 6 HA ASN 6 -8.424 -7.735 3.538 500 1HB ASN 6 2HB ASN 6 -10.176 -8.497 5.275 501 2HB ASN 6 1HB ASN 6 -8.820 -9.177 6.169 502 1HD2 ASN 6 1HD2 ASN 6 -6.880 -7.076 5.562 503 2HD2 ASN 6 2HD2 ASN 6 -7.402 -5.674 6.359 504 H LYS 7 H LYS 7 -7.345 -10.764 5.020 505 HA LYS 7 HA LYS 7 -4.761 -9.882 5.818 506 1HB LYS 7 2HB LYS 7 -5.778 -11.909 6.734 507 2HB LYS 7 1HB LYS 7 -5.833 -12.639 5.133 508 1HG LYS 7 2HG LYS 7 -3.335 -12.518 5.031 509 2HG LYS 7 1HG LYS 7 -3.330 -11.902 6.687 510 1HD LYS 7 2HD LYS 7 -4.451 -13.958 7.463 511 2HD LYS 7 1HD LYS 7 -4.487 -14.569 5.809 512 1HE LYS 7 2HE LYS 7 -1.919 -14.258 5.840 513 2HE LYS 7 1HE LYS 7 -2.091 -14.127 7.592 514 1HZ LYS 7 1HZ LYS 7 -3.133 -16.274 7.649 515 2HZ LYS 7 2HZ LYS 7 -1.645 -16.407 6.840 516 3HZ LYS 7 3HZ LYS 7 -3.097 -16.392 5.958 517 H GLU 8 H GLU 8 -6.007 -11.549 2.972 518 HA GLU 8 HA GLU 8 -3.567 -11.884 1.585 519 1HB GLU 8 2HB GLU 8 -6.414 -11.690 0.528 520 2HB GLU 8 1HB GLU 8 -5.035 -12.341 -0.360 521 1HG GLU 8 2HG GLU 8 -6.291 -13.459 2.166 522 2HG GLU 8 1HG GLU 8 -6.268 -14.208 0.570 523 H ARG 9 H ARG 9 -5.955 -9.308 1.616 524 HA ARG 9 HA ARG 9 -5.132 -7.872 -0.635 525 1HB ARG 9 2HB ARG 9 -7.278 -7.511 0.509 526 2HB ARG 9 1HB ARG 9 -6.431 -6.854 1.910 527 1HG ARG 9 2HG ARG 9 -5.523 -5.035 0.537 528 2HG ARG 9 1HG ARG 9 -6.287 -5.714 -0.896 529 1HD ARG 9 2HD ARG 9 -7.673 -3.904 -0.051 530 2HD ARG 9 1HD ARG 9 -8.510 -5.432 0.208 531 HE ARG 9 HE ARG 9 -6.889 -4.418 2.430 532 1HH1 ARG 9 1HH1 ARG 9 -9.735 -3.278 1.216 533 2HH1 ARG 9 2HH1 ARG 9 -10.734 -3.717 2.562 534 1HH2 ARG 9 1HH2 ARG 9 -8.295 -5.661 4.068 535 2HH2 ARG 9 2HH2 ARG 9 -9.917 -5.065 4.176 536 H VAL 10 H VAL 10 -4.213 -7.515 2.835 537 HA VAL 10 HA VAL 10 -2.541 -5.304 2.389 538 HB VAL 10 HB VAL 10 -2.138 -5.263 4.572 539 1HG1 VAL 10 1HG1 VAL 10 -3.815 -7.723 4.992 540 2HG1 VAL 10 2HG1 VAL 10 -4.540 -6.231 4.387 541 3HG1 VAL 10 3HG1 VAL 10 -3.742 -6.249 5.969 542 1HG2 VAL 10 1HG2 VAL 10 -0.346 -6.968 4.311 543 2HG2 VAL 10 2HG2 VAL 10 -1.549 -8.210 4.687 544 3HG2 VAL 10 3HG2 VAL 10 -1.139 -6.977 5.888 545 H ILE 11 H ILE 11 -1.896 -8.765 2.100 546 HA ILE 11 HA ILE 11 0.917 -8.499 1.788 547 HB ILE 11 HB ILE 11 -0.923 -10.602 0.604 548 1HG1 ILE 11 2HG1 ILE 11 0.329 -10.174 3.281 549 2HG1 ILE 11 1HG1 ILE 11 -1.159 -11.014 2.861 550 1HG2 ILE 11 1HG2 ILE 11 2.092 -10.658 1.035 551 2HG2 ILE 11 2HG2 ILE 11 1.319 -10.383 -0.528 552 3HG2 ILE 11 3HG2 ILE 11 1.113 -11.926 0.294 553 1HD1 ILE 11 1HD1 ILE 11 0.397 -12.828 1.839 554 2HD1 ILE 11 2HD1 ILE 11 0.274 -12.744 3.593 555 3HD1 ILE 11 3HD1 ILE 11 1.678 -12.050 2.775 556 H ALA 12 H ALA 12 -1.815 -8.259 -0.472 557 HA ALA 12 HA ALA 12 -0.255 -7.989 -2.841 558 1HB ALA 12 1HB ALA 12 -2.376 -6.920 -3.721 559 2HB ALA 12 2HB ALA 12 -3.067 -7.156 -2.117 560 3HB ALA 12 3HB ALA 12 -2.582 -8.549 -3.076 561 H ILE 13 H ILE 13 -1.700 -5.674 -0.581 562 HA ILE 13 HA ILE 13 -0.900 -3.327 -1.915 563 HB ILE 13 HB ILE 13 -1.183 -3.856 1.075 564 1HG1 ILE 13 2HG1 ILE 13 -3.106 -2.563 -0.827 565 2HG1 ILE 13 1HG1 ILE 13 -3.160 -4.287 -0.483 566 1HG2 ILE 13 1HG2 ILE 13 -0.014 -1.761 0.807 567 2HG2 ILE 13 2HG2 ILE 13 -1.707 -1.380 1.123 568 3HG2 ILE 13 3HG2 ILE 13 -1.064 -1.287 -0.516 569 1HD1 ILE 13 1HD1 ILE 13 -3.443 -3.730 1.929 570 2HD1 ILE 13 2HD1 ILE 13 -4.757 -3.111 0.928 571 3HD1 ILE 13 3HD1 ILE 13 -3.478 -2.038 1.480 572 H GLY 14 H GLY 14 0.644 -5.308 0.552 573 1HA GLY 14 2HA GLY 14 3.092 -3.956 0.770 574 2HA GLY 14 1HA GLY 14 2.837 -5.669 1.093 575 H GLU 15 H GLU 15 2.002 -6.477 -1.460 576 HA GLU 15 HA GLU 15 4.500 -6.935 -2.675 577 1HB GLU 15 2HB GLU 15 2.311 -8.310 -2.781 578 2HB GLU 15 1HB GLU 15 1.868 -7.229 -4.077 579 1HG GLU 15 2HG GLU 15 2.936 -9.204 -5.039 580 2HG GLU 15 1HG GLU 15 3.989 -7.818 -5.279 581 H ILE 16 H ILE 16 1.767 -4.747 -3.425 582 HA ILE 16 HA ILE 16 2.907 -3.674 -5.811 583 HB ILE 16 HB ILE 16 1.587 -1.753 -3.881 584 1HG1 ILE 16 2HG1 ILE 16 0.151 -3.789 -3.832 585 2HG1 ILE 16 1HG1 ILE 16 -0.644 -2.395 -4.513 586 1HG2 ILE 16 1HG2 ILE 16 2.388 -0.937 -6.035 587 2HG2 ILE 16 2HG2 ILE 16 0.633 -0.850 -5.961 588 3HG2 ILE 16 3HG2 ILE 16 1.412 -2.131 -6.881 589 1HD1 ILE 16 1HD1 ILE 16 0.701 -4.536 -6.154 590 2HD1 ILE 16 2HD1 ILE 16 -0.270 -3.185 -6.749 591 3HD1 ILE 16 3HD1 ILE 16 -1.031 -4.477 -5.817 592 H MET 17 H MET 17 3.097 -2.622 -2.467 593 HA MET 17 HA MET 17 4.903 -0.498 -2.723 594 1HB MET 17 2HB MET 17 4.435 -2.266 -0.340 595 2HB MET 17 1HB MET 17 5.095 -0.624 -0.341 596 1HG MET 17 2HG MET 17 2.357 -1.297 -1.419 597 2HG MET 17 1HG MET 17 2.630 -0.747 0.219 598 1HE MET 17 1HE MET 17 4.970 1.896 -0.419 599 2HE MET 17 2HE MET 17 4.082 0.869 0.736 600 3HE MET 17 3HE MET 17 3.481 2.495 0.342 601 H ARG 18 H ARG 18 5.459 -3.962 -2.626 602 HA ARG 18 HA ARG 18 8.243 -3.847 -1.959 603 1HB ARG 18 2HB ARG 18 6.552 -5.949 -3.243 604 2HB ARG 18 1HB ARG 18 8.264 -6.167 -2.976 605 1HG ARG 18 2HG ARG 18 6.732 -5.238 -0.625 606 2HG ARG 18 1HG ARG 18 6.339 -6.857 -1.186 607 1HD ARG 18 2HD ARG 18 9.188 -5.966 -0.732 608 2HD ARG 18 1HD ARG 18 8.207 -6.656 0.557 609 HE ARG 18 HE ARG 18 9.472 -8.106 -1.548 610 1HH1 ARG 18 1HH2 ARG 18 8.814 -9.438 1.001 611 2HH1 ARG 18 2HH2 ARG 18 7.489 -10.469 0.583 612 1HH2 ARG 18 1HH1 ARG 18 6.787 -8.810 -2.372 613 2HH2 ARG 18 2HH1 ARG 18 6.342 -10.114 -1.324 614 H LEU 19 H LEU 19 6.351 -3.877 -4.921 615 HA LEU 19 HA LEU 19 8.406 -4.231 -6.796 616 1HB LEU 19 2HB LEU 19 5.842 -2.679 -7.081 617 2HB LEU 19 1HB LEU 19 6.851 -3.197 -8.398 618 HG LEU 19 HG LEU 19 5.573 -5.085 -6.421 619 1HD1 LEU 19 1HD1 LEU 19 4.699 -4.286 -9.205 620 2HD1 LEU 19 2HD1 LEU 19 3.845 -3.928 -7.701 621 3HD1 LEU 19 3HD1 LEU 19 3.986 -5.588 -8.253 622 1HD2 LEU 19 1HD2 LEU 19 6.249 -6.023 -9.095 623 2HD2 LEU 19 2HD2 LEU 19 6.606 -6.736 -7.525 624 3HD2 LEU 19 3HD2 LEU 19 7.650 -5.482 -8.180 625 HA PRO 20 HA PRO 20 10.298 -0.215 -6.112 626 1HB PRO 20 2HB PRO 20 12.567 -1.148 -7.625 627 2HB PRO 20 1HB PRO 20 12.436 -0.900 -5.881 628 1HG PRO 20 2HG PRO 20 12.736 -3.326 -7.102 629 2HG PRO 20 1HG PRO 20 12.046 -3.082 -5.488 630 1HD PRO 20 2HD PRO 20 10.644 -3.558 -8.088 631 2HD PRO 20 1HD PRO 20 10.248 -4.146 -6.455 632 H ASN 21 H ASN 21 9.421 -1.732 -9.093 633 HA ASN 21 HA ASN 21 10.385 0.495 -10.726 634 1HB ASN 21 2HB ASN 21 8.842 -1.956 -11.564 635 2HB ASN 21 1HB ASN 21 9.618 -0.797 -12.626 636 1HD2 ASN 21 1HD2 ASN 21 10.171 -3.769 -12.144 637 2HD2 ASN 21 2HD2 ASN 21 11.831 -3.829 -11.798 638 H LEU 22 H LEU 22 7.456 -0.488 -9.118 639 HA LEU 22 HA LEU 22 5.644 0.924 -10.833 640 1HB LEU 22 2HB LEU 22 5.305 0.158 -7.934 641 2HB LEU 22 1HB LEU 22 4.032 0.763 -8.969 642 HG LEU 22 HG LEU 22 5.488 -1.867 -9.116 643 1HD1 LEU 22 1HD1 LEU 22 2.608 -0.980 -8.850 644 2HD1 LEU 22 2HD1 LEU 22 3.549 -1.938 -7.713 645 3HD1 LEU 22 3HD1 LEU 22 3.048 -2.638 -9.254 646 1HD2 LEU 22 1HD2 LEU 22 4.006 -2.147 -11.192 647 2HD2 LEU 22 2HD2 LEU 22 5.489 -1.211 -11.359 648 3HD2 LEU 22 3HD2 LEU 22 3.924 -0.393 -11.196 649 H ASN 23 H ASN 23 4.626 2.856 -10.528 650 HA ASN 23 HA ASN 23 6.184 4.961 -9.248 651 1HB ASN 23 2HB ASN 23 5.335 5.870 -11.170 652 2HB ASN 23 1HB ASN 23 4.080 4.672 -11.301 653 1HD2 ASN 23 1HD2 ASN 23 2.336 6.025 -11.753 654 2HD2 ASN 23 2HD2 ASN 23 1.792 7.236 -10.702 655 H SER 24 H SER 24 5.245 6.333 -7.558 656 HA SER 24 HA SER 24 3.961 4.880 -5.503 657 1HB SER 24 2HB SER 24 5.345 7.008 -5.282 658 2HB SER 24 1HB SER 24 3.899 7.881 -5.754 659 HG SER 24 HG SER 24 4.365 7.401 -3.393 660 H LEU 25 H LEU 25 2.770 7.155 -7.902 661 HA LEU 25 HA LEU 25 0.056 7.101 -7.056 662 1HB LEU 25 2HB LEU 25 1.590 8.312 -9.234 663 2HB LEU 25 1HB LEU 25 -0.006 7.807 -9.719 664 HG LEU 25 HG LEU 25 0.633 9.545 -7.369 665 1HD1 LEU 25 1HD1 LEU 25 0.936 10.705 -9.526 666 2HD1 LEU 25 2HD1 LEU 25 -0.484 11.318 -8.681 667 3HD1 LEU 25 3HD1 LEU 25 -0.677 10.191 -10.024 668 1HD2 LEU 25 1HD2 LEU 25 -1.360 8.816 -6.635 669 2HD2 LEU 25 2HD2 LEU 25 -1.663 7.967 -8.151 670 3HD2 LEU 25 3HD2 LEU 25 -2.084 9.676 -7.996 671 H GLN 26 H GLN 26 2.017 5.237 -9.314 672 HA GLN 26 HA GLN 26 -0.102 3.786 -10.553 673 1HB GLN 26 2HB GLN 26 2.822 3.487 -10.300 674 2HB GLN 26 1HB GLN 26 1.948 1.980 -10.494 675 1HG GLN 26 2HG GLN 26 0.904 2.824 -12.554 676 2HG GLN 26 1HG GLN 26 1.743 4.365 -12.361 677 1HE2 GLN 26 1HE2 GLN 26 3.719 1.831 -11.244 678 2HE2 GLN 26 2HE2 GLN 26 4.649 1.633 -12.649 679 H VAL 27 H VAL 27 1.841 3.399 -7.708 680 HA VAL 27 HA VAL 27 0.942 0.859 -6.901 681 HB VAL 27 HB VAL 27 2.325 3.138 -5.515 682 1HG1 VAL 27 1HG1 VAL 27 1.242 2.182 -3.663 683 2HG1 VAL 27 2HG1 VAL 27 2.778 1.322 -3.726 684 3HG1 VAL 27 3HG1 VAL 27 1.313 0.555 -4.340 685 1HG2 VAL 27 1HG2 VAL 27 4.113 2.130 -6.434 686 2HG2 VAL 27 2HG2 VAL 27 3.060 0.915 -7.159 687 3HG2 VAL 27 3HG2 VAL 27 3.732 0.653 -5.549 688 H VAL 28 H VAL 28 -0.065 4.134 -6.115 689 HA VAL 28 HA VAL 28 -2.130 3.452 -4.333 690 HB VAL 28 HB VAL 28 -1.889 5.827 -6.207 691 1HG1 VAL 28 1HG1 VAL 28 -3.347 6.255 -3.736 692 2HG1 VAL 28 2HG1 VAL 28 -4.062 4.938 -4.664 693 3HG1 VAL 28 3HG1 VAL 28 -3.871 6.528 -5.400 694 1HG2 VAL 28 1HG2 VAL 28 -0.378 6.686 -4.752 695 2HG2 VAL 28 2HG2 VAL 28 -0.311 5.108 -3.971 696 3HG2 VAL 28 3HG2 VAL 28 -1.425 6.337 -3.377 697 H ALA 29 H ALA 29 -1.854 3.556 -7.835 698 HA ALA 29 HA ALA 29 -4.556 3.408 -8.573 699 1HB ALA 29 1HB ALA 29 -3.722 3.145 -10.681 700 2HB ALA 29 2HB ALA 29 -2.659 1.818 -10.204 701 3HB ALA 29 3HB ALA 29 -2.167 3.490 -9.923 702 H PHE 30 H PHE 30 -2.156 0.892 -7.825 703 HA PHE 30 HA PHE 30 -3.957 -1.252 -8.208 704 1HB PHE 30 2HB PHE 30 -1.230 -1.035 -6.888 705 2HB PHE 30 1HB PHE 30 -2.079 -2.552 -7.199 706 HD1 PHE 30 1HD PHE 30 -3.177 -2.477 -9.834 707 HD2 PHE 30 2HD PHE 30 0.472 -0.589 -8.475 708 HE1 PHE 30 1HE PHE 30 -2.347 -2.344 -12.139 709 HE2 PHE 30 2HE PHE 30 1.259 -0.489 -10.787 710 HZ PHE 30 HZ PHE 30 -0.140 -1.371 -12.627 711 H ILE 31 H ILE 31 -2.689 0.480 -5.342 712 HA ILE 31 HA ILE 31 -3.921 -1.115 -3.377 713 HB ILE 31 HB ILE 31 -3.335 1.863 -3.322 714 1HG1 ILE 31 2HG1 ILE 31 -1.721 -0.402 -2.122 715 2HG1 ILE 31 1HG1 ILE 31 -1.382 0.241 -3.716 716 1HG2 ILE 31 1HG2 ILE 31 -3.952 -0.118 -1.114 717 2HG2 ILE 31 2HG2 ILE 31 -4.909 1.293 -1.557 718 3HG2 ILE 31 3HG2 ILE 31 -3.315 1.501 -0.831 719 1HD1 ILE 31 1HD1 ILE 31 -1.074 2.492 -2.759 720 2HD1 ILE 31 2HD1 ILE 31 0.040 1.342 -2.008 721 3HD1 ILE 31 3HD1 ILE 31 -1.417 1.858 -1.144 722 H ASN 32 H ASN 32 -5.058 1.819 -4.999 723 HA ASN 32 HA ASN 32 -7.565 2.018 -3.765 724 1HB ASN 32 2HB ASN 32 -6.418 3.764 -5.172 725 2HB ASN 32 1HB ASN 32 -6.864 2.832 -6.594 726 1HD2 ASN 32 1HD2 ASN 32 -8.215 4.584 -7.332 727 2HD2 ASN 32 2HD2 ASN 32 -9.722 4.904 -6.617 728 H SER 33 H SER 33 -6.436 -0.046 -6.418 729 HA SER 33 HA SER 33 -9.060 -0.712 -7.290 730 1HB SER 33 2HB SER 33 -6.322 -1.555 -7.991 731 2HB SER 33 1HB SER 33 -7.665 -2.609 -8.441 732 HG SER 33 HG SER 33 -7.856 0.143 -8.918 733 H LEU 34 H LEU 34 -6.814 -1.874 -4.891 734 HA LEU 34 HA LEU 34 -8.040 -4.419 -4.408 735 1HB LEU 34 2HB LEU 34 -6.813 -2.672 -2.260 736 2HB LEU 34 1HB LEU 34 -6.892 -4.425 -2.315 737 HG LEU 34 HG LEU 34 -5.242 -2.684 -4.151 738 1HD1 LEU 34 1HD1 LEU 34 -3.413 -3.156 -2.899 739 2HD1 LEU 34 2HD1 LEU 34 -4.055 -4.718 -2.355 740 3HD1 LEU 34 3HD1 LEU 34 -4.649 -3.215 -1.637 741 1HD2 LEU 34 1HD2 LEU 34 -5.477 -5.656 -3.905 742 2HD2 LEU 34 2HD2 LEU 34 -4.285 -4.835 -4.890 743 3HD2 LEU 34 3HD2 LEU 34 -5.994 -4.682 -5.258 744 H ARG 35 H ARG 35 -8.382 -1.149 -3.250 745 HA ARG 35 HA ARG 35 -10.518 -1.387 -1.417 746 1HB ARG 35 2HB ARG 35 -9.036 0.685 -2.715 747 2HB ARG 35 1HB ARG 35 -10.736 1.033 -2.983 748 1HG ARG 35 2HG ARG 35 -11.029 1.679 -0.845 749 2HG ARG 35 1HG ARG 35 -10.232 0.242 -0.214 750 1HD ARG 35 2HD ARG 35 -8.041 1.446 -1.033 751 2HD ARG 35 1HD ARG 35 -9.044 2.892 -0.980 752 HE ARG 35 HE ARG 35 -8.022 1.423 1.278 753 1HH1 ARG 35 1HH1 ARG 35 -10.944 1.419 1.815 754 2HH1 ARG 35 2HH1 ARG 35 -11.195 2.933 2.615 755 1HH2 ARG 35 1HH2 ARG 35 -8.177 4.281 1.580 756 2HH2 ARG 35 2HH2 ARG 35 -9.630 4.553 2.482 757 H ASP 36 H ASP 36 -10.442 -0.804 -4.891 758 HA ASP 36 HA ASP 36 -13.224 -0.605 -5.348 759 1HB ASP 36 2HB ASP 36 -10.937 -1.386 -7.177 760 2HB ASP 36 1HB ASP 36 -12.569 -1.015 -7.728 761 H ASP 37 H ASP 37 -10.990 -3.325 -5.299 762 HA ASP 37 HA ASP 37 -13.167 -5.218 -5.008 763 1HB ASP 37 2HB ASP 37 -11.769 -4.862 -7.585 764 2HB ASP 37 1HB ASP 37 -11.798 -6.522 -6.998 765 HA PRO 38 HA PRO 38 -9.537 -6.381 -2.586 766 1HB PRO 38 2HB PRO 38 -11.338 -7.752 -0.833 767 2HB PRO 38 1HB PRO 38 -10.400 -6.292 -0.520 768 1HG PRO 38 2HG PRO 38 -13.170 -6.479 -0.807 769 2HG PRO 38 1HG PRO 38 -12.203 -4.999 -0.763 770 1HD PRO 38 2HD PRO 38 -13.494 -6.296 -3.054 771 2HD PRO 38 1HD PRO 38 -12.855 -4.646 -2.904 772 H SER 39 H SER 39 -12.186 -8.206 -3.879 773 HA SER 39 HA SER 39 -11.245 -10.831 -3.379 774 1HB SER 39 2HB SER 39 -12.838 -11.453 -5.201 775 2HB SER 39 1HB SER 39 -13.569 -10.436 -3.963 776 HG SER 39 HG SER 39 -13.009 -8.636 -5.403 777 H GLN 40 H GLN 40 -10.711 -8.458 -5.926 778 HA GLN 40 HA GLN 40 -8.884 -10.296 -7.265 779 1HB GLN 40 2HB GLN 40 -9.474 -7.712 -8.556 780 2HB GLN 40 1HB GLN 40 -9.300 -9.302 -9.238 781 1HG GLN 40 2HG GLN 40 -11.724 -8.549 -7.618 782 2HG GLN 40 1HG GLN 40 -11.646 -8.355 -9.364 783 1HE2 GLN 40 1HE2 GLN 40 -12.947 -10.416 -7.228 784 2HE2 GLN 40 2HE2 GLN 40 -12.744 -11.891 -8.042 785 H SER 41 H SER 41 -8.300 -8.793 -4.721 786 HA SER 41 HA SER 41 -6.647 -6.602 -5.216 787 1HB SER 41 2HB SER 41 -6.545 -8.802 -3.130 788 2HB SER 41 1HB SER 41 -5.407 -7.464 -3.115 789 HG SER 41 HG SER 41 -7.992 -7.555 -2.329 790 H ALA 42 H ALA 42 -6.154 -9.991 -5.594 791 HA ALA 42 HA ALA 42 -3.333 -9.984 -6.030 792 1HB ALA 42 1HB ALA 42 -4.794 -11.931 -5.305 793 2HB ALA 42 2HB ALA 42 -3.648 -12.280 -6.603 794 3HB ALA 42 3HB ALA 42 -5.355 -12.014 -6.977 795 H ASN 43 H ASN 43 -6.155 -9.448 -7.997 796 HA ASN 43 HA ASN 43 -5.097 -10.020 -10.541 797 1HB ASN 43 2HB ASN 43 -7.477 -9.854 -9.803 798 2HB ASN 43 1HB ASN 43 -7.284 -8.106 -9.941 799 1HD2 ASN 43 1HD2 ASN 43 -6.313 -7.412 -12.193 800 2HD2 ASN 43 2HD2 ASN 43 -6.903 -8.244 -13.549 801 H LEU 44 H LEU 44 -5.757 -6.904 -8.969 802 HA LEU 44 HA LEU 44 -4.408 -5.534 -11.031 803 1HB LEU 44 2HB LEU 44 -4.930 -3.475 -9.900 804 2HB LEU 44 1HB LEU 44 -6.340 -4.506 -9.922 805 HG LEU 44 HG LEU 44 -5.969 -3.309 -7.810 806 1HD1 LEU 44 1HD1 LEU 44 -7.084 -4.856 -6.762 807 2HD1 LEU 44 2HD1 LEU 44 -5.810 -6.068 -6.981 808 3HD1 LEU 44 3HD1 LEU 44 -6.965 -5.757 -8.269 809 1HD2 LEU 44 1HD2 LEU 44 -3.916 -5.203 -6.965 810 2HD2 LEU 44 2HD2 LEU 44 -4.205 -3.542 -6.480 811 3HD2 LEU 44 3HD2 LEU 44 -3.399 -3.867 -7.996 812 H LEU 45 H LEU 45 -3.634 -6.975 -8.036 813 HA LEU 45 HA LEU 45 -1.101 -5.734 -7.592 814 1HB LEU 45 2HB LEU 45 -1.867 -7.003 -5.747 815 2HB LEU 45 1HB LEU 45 -2.385 -8.336 -6.770 816 HG LEU 45 HG LEU 45 -0.045 -8.893 -7.272 817 1HD1 LEU 45 1HD1 LEU 45 1.763 -7.736 -6.066 818 2HD1 LEU 45 2HD1 LEU 45 0.586 -6.622 -5.374 819 3HD1 LEU 45 3HD1 LEU 45 0.886 -6.629 -7.104 820 1HD2 LEU 45 1HD2 LEU 45 0.562 -9.127 -4.603 821 2HD2 LEU 45 2HD2 LEU 45 -0.484 -10.226 -5.498 822 3HD2 LEU 45 3HD2 LEU 45 -1.187 -8.917 -4.559 823 H ALA 46 H ALA 46 -2.474 -8.314 -9.431 824 HA ALA 46 HA ALA 46 -0.093 -9.455 -10.469 825 1HB ALA 46 1HB ALA 46 -2.937 -9.814 -10.817 826 2HB ALA 46 2HB ALA 46 -1.634 -10.892 -11.319 827 3HB ALA 46 3HB ALA 46 -2.202 -9.628 -12.408 828 H GLU 47 H GLU 47 -2.320 -6.933 -11.500 829 HA GLU 47 HA GLU 47 -1.098 -6.175 -13.912 830 1HB GLU 47 2HB GLU 47 -2.691 -4.529 -11.923 831 2HB GLU 47 1HB GLU 47 -2.243 -3.988 -13.536 832 1HG GLU 47 2HG GLU 47 -4.043 -6.289 -12.799 833 2HG GLU 47 1HG GLU 47 -4.513 -4.780 -13.554 834 H ALA 48 H ALA 48 -0.512 -5.411 -10.555 835 HA ALA 48 HA ALA 48 1.251 -3.219 -10.924 836 1HB ALA 48 1HB ALA 48 -0.089 -4.394 -8.841 837 2HB ALA 48 2HB ALA 48 1.179 -3.179 -8.665 838 3HB ALA 48 3HB ALA 48 1.577 -4.895 -8.543 839 H LYS 49 H LYS 49 1.735 -6.622 -10.132 840 HA LYS 49 HA LYS 49 4.549 -6.514 -10.062 841 1HB LYS 49 2HB LYS 49 2.531 -8.714 -10.372 842 2HB LYS 49 1HB LYS 49 4.260 -9.056 -10.412 843 1HG LYS 49 2HG LYS 49 4.429 -7.835 -8.198 844 2HG LYS 49 1HG LYS 49 2.666 -7.808 -8.167 845 1HD LYS 49 2HD LYS 49 4.276 -10.358 -8.484 846 2HD LYS 49 1HD LYS 49 3.744 -9.751 -6.921 847 1HE LYS 49 2HE LYS 49 1.460 -9.696 -8.604 848 2HE LYS 49 1HE LYS 49 2.245 -11.250 -8.881 849 1HZ LYS 49 1HZ LYS 49 2.206 -11.712 -6.561 850 2HZ LYS 49 2HZ LYS 49 0.638 -11.238 -7.014 851 3HZ LYS 49 3HZ LYS 49 1.652 -10.153 -6.190 852 H LYS 50 H LYS 50 2.178 -6.914 -12.558 853 HA LYS 50 HA LYS 50 3.984 -7.533 -14.699 854 1HB LYS 50 2HB LYS 50 1.141 -6.588 -14.570 855 2HB LYS 50 1HB LYS 50 2.005 -6.710 -16.100 856 1HG LYS 50 2HG LYS 50 2.558 -9.120 -15.467 857 2HG LYS 50 1HG LYS 50 1.400 -8.955 -14.153 858 1HD LYS 50 2HD LYS 50 0.740 -8.459 -17.071 859 2HD LYS 50 1HD LYS 50 0.430 -9.978 -16.233 860 1HE LYS 50 2HE LYS 50 -0.897 -8.578 -14.527 861 2HE LYS 50 1HE LYS 50 -0.818 -7.274 -15.714 862 1HZ LYS 50 1HZ LYS 50 -1.994 -9.969 -16.104 863 2HZ LYS 50 2HZ LYS 50 -1.785 -8.829 -17.347 864 3HZ LYS 50 3HZ LYS 50 -2.824 -8.490 -16.045 865 H LEU 51 H LEU 51 2.533 -4.593 -13.366 866 HA LEU 51 HA LEU 51 3.526 -2.853 -15.397 867 1HB LEU 51 2HB LEU 51 2.080 -2.577 -12.881 868 2HB LEU 51 1HB LEU 51 3.297 -1.321 -13.071 869 HG LEU 51 HG LEU 51 1.081 -0.727 -14.050 870 1HD1 LEU 51 1HD1 LEU 51 2.701 0.599 -14.971 871 2HD1 LEU 51 2HD1 LEU 51 2.242 -0.284 -16.431 872 3HD1 LEU 51 3HD1 LEU 51 3.675 -0.775 -15.520 873 1HD2 LEU 51 1HD2 LEU 51 1.217 -2.093 -16.522 874 2HD2 LEU 51 2HD2 LEU 51 0.009 -2.312 -15.255 875 3HD2 LEU 51 3HD2 LEU 51 1.444 -3.336 -15.288 876 H ASN 52 H ASN 52 4.651 -3.914 -12.293 877 HA ASN 52 HA ASN 52 6.992 -2.318 -12.152 878 1HB ASN 52 2HB ASN 52 6.209 -3.493 -10.193 879 2HB ASN 52 1HB ASN 52 6.349 -5.044 -11.004 880 1HD2 ASN 52 1HD2 ASN 52 8.572 -5.752 -11.571 881 2HD2 ASN 52 2HD2 ASN 52 9.888 -5.205 -10.652 882 H ASP 53 H ASP 53 6.119 -5.397 -13.518 883 HA ASP 53 HA ASP 53 8.720 -6.107 -14.489 884 1HB ASP 53 2HB ASP 53 6.763 -7.694 -14.231 885 2HB ASP 53 1HB ASP 53 6.066 -6.951 -15.669 886 H ALA 54 H ALA 54 6.019 -4.261 -15.716 887 HA ALA 54 HA ALA 54 6.847 -3.946 -18.397 888 1HB ALA 54 1HB ALA 54 5.082 -2.438 -18.583 889 2HB ALA 54 2HB ALA 54 5.249 -1.887 -16.916 890 3HB ALA 54 3HB ALA 54 4.563 -3.476 -17.255 891 H GLN 55 H GLN 55 7.435 -2.097 -15.448 892 HA GLN 55 HA GLN 55 9.041 -0.111 -16.861 893 1HB GLN 55 2HB GLN 55 8.224 -0.429 -14.014 894 2HB GLN 55 1HB GLN 55 9.193 0.906 -14.601 895 1HG GLN 55 2HG GLN 55 7.425 1.833 -15.787 896 2HG GLN 55 1HG GLN 55 6.607 0.281 -15.973 897 1HE2 GLN 55 1HE2 GLN 55 6.135 -0.713 -13.585 898 2HE2 GLN 55 2HE2 GLN 55 5.344 0.376 -12.552 899 H ALA 56 H ALA 56 9.533 -3.140 -15.551 900 HA ALA 56 HA ALA 56 12.003 -2.808 -14.181 901 1HB ALA 56 1HB ALA 56 12.286 -5.232 -14.499 902 2HB ALA 56 2HB ALA 56 10.936 -5.242 -15.628 903 3HB ALA 56 3HB ALA 56 10.663 -4.851 -13.931 904 HA PRO 57 HA PRO 57 14.875 -2.518 -17.447 905 1HB PRO 57 2HB PRO 57 16.925 -4.026 -16.091 906 2HB PRO 57 1HB PRO 57 16.713 -2.271 -16.146 907 1HG PRO 57 2HG PRO 57 16.427 -3.799 -13.895 908 2HG PRO 57 1HG PRO 57 15.688 -2.207 -14.137 909 1HD PRO 57 2HD PRO 57 14.460 -4.925 -14.459 910 2HD PRO 57 1HD PRO 57 13.768 -3.447 -13.746 911 H LYS 58 H LYS 58 16.768 -3.980 -18.510 912 HA LYS 58 HA LYS 58 15.440 -6.088 -19.885 913 1HB LYS 58 2HB LYS 58 18.351 -5.394 -19.883 914 2HB LYS 58 1HB LYS 58 17.520 -6.357 -21.085 915 1HG LYS 58 2HG LYS 58 16.912 -3.444 -20.473 916 2HG LYS 58 1HG LYS 58 17.879 -4.006 -21.835 917 1HD LYS 58 2HD LYS 58 15.887 -5.370 -22.587 918 2HD LYS 58 1HD LYS 58 14.942 -4.574 -21.327 919 1HE LYS 58 2HE LYS 58 15.526 -2.365 -22.331 920 2HE LYS 58 1HE LYS 58 16.363 -3.209 -23.635 921 1HZ LYS 58 1HZ LYS 58 13.486 -3.478 -22.950 922 2HZ LYS 58 2HZ LYS 58 14.286 -4.328 -24.184 923 3HZ LYS 58 3HZ LYS 58 14.117 -2.640 -24.282 Start of MODEL 7 1 1H VAL 1 1HT VAL 1 6.534 -16.019 2.014 2 2H VAL 1 2HT VAL 1 5.364 -17.169 1.574 3 3H VAL 1 3HT VAL 1 6.909 -17.673 2.069 4 HA VAL 1 HA VAL 1 5.103 -17.927 3.769 5 HB VAL 1 HB VAL 1 6.544 -17.021 5.605 6 1HG1 VAL 1 1HG1 VAL 1 8.184 -18.310 3.402 7 2HG1 VAL 1 2HG1 VAL 1 7.041 -19.191 4.417 8 3HG1 VAL 1 3HG1 VAL 1 8.453 -18.425 5.142 9 1HG2 VAL 1 1HG2 VAL 1 8.651 -15.869 4.989 10 2HG2 VAL 1 2HG2 VAL 1 7.246 -14.926 4.498 11 3HG2 VAL 1 3HG2 VAL 1 8.149 -15.852 3.299 12 H ASP 2 H ASP 2 4.725 -16.285 5.864 13 HA ASP 2 HA ASP 2 2.639 -14.586 5.070 14 1HB ASP 2 2HB ASP 2 4.240 -14.747 7.628 15 2HB ASP 2 1HB ASP 2 2.855 -13.675 7.436 16 H ASN 3 H ASN 3 6.052 -13.905 5.729 17 HA ASN 3 HA ASN 3 7.342 -12.024 5.439 18 1HB ASN 3 2HB ASN 3 5.277 -11.537 3.265 19 2HB ASN 3 1HB ASN 3 6.799 -10.657 3.423 20 1HD2 ASN 3 1HD2 ASN 3 8.772 -12.368 3.735 21 2HD2 ASN 3 2HD2 ASN 3 8.765 -13.630 2.600 22 H LYS 4 H LYS 4 6.520 -11.400 7.605 23 HA LYS 4 HA LYS 4 4.362 -9.756 8.113 24 1HB LYS 4 2HB LYS 4 5.694 -10.789 9.882 25 2HB LYS 4 1HB LYS 4 7.056 -9.737 9.497 26 1HG LYS 4 2HG LYS 4 5.966 -8.733 11.370 27 2HG LYS 4 1HG LYS 4 5.475 -7.768 9.980 28 1HD LYS 4 2HD LYS 4 3.365 -9.034 9.831 29 2HD LYS 4 1HD LYS 4 3.867 -10.038 11.190 30 1HE LYS 4 2HE LYS 4 2.412 -8.359 12.099 31 2HE LYS 4 1HE LYS 4 4.047 -7.884 12.552 32 1HZ LYS 4 1HZ LYS 4 4.109 -6.284 10.834 33 2HZ LYS 4 2HZ LYS 4 2.613 -6.075 11.609 34 3HZ LYS 4 3HZ LYS 4 2.693 -6.876 10.113 35 H PHE 5 H PHE 5 7.651 -8.702 7.139 36 HA PHE 5 HA PHE 5 7.054 -5.956 7.385 37 1HB PHE 5 2HB PHE 5 9.145 -5.501 6.522 38 2HB PHE 5 1HB PHE 5 9.374 -7.096 7.224 39 HD1 PHE 5 1HD PHE 5 9.190 -9.142 5.687 40 HD2 PHE 5 2HD PHE 5 9.523 -5.111 4.196 41 HE1 PHE 5 1HE PHE 5 9.934 -10.010 3.488 42 HE2 PHE 5 2HE PHE 5 10.271 -5.991 2.018 43 HZ PHE 5 HZ PHE 5 10.476 -8.434 1.654 44 H ASN 6 H ASN 6 6.831 -8.214 4.641 45 HA ASN 6 HA ASN 6 6.100 -6.266 2.683 46 1HB ASN 6 2HB ASN 6 6.885 -8.639 2.266 47 2HB ASN 6 1HB ASN 6 5.301 -9.179 2.803 48 1HD2 ASN 6 1HD2 ASN 6 3.994 -9.643 1.039 49 2HD2 ASN 6 2HD2 ASN 6 3.998 -8.795 -0.443 50 H LYS 7 H LYS 7 4.360 -8.444 4.821 51 HA LYS 7 HA LYS 7 1.731 -7.847 4.070 52 1HB LYS 7 2HB LYS 7 2.637 -9.766 5.527 53 2HB LYS 7 1HB LYS 7 2.654 -8.609 6.855 54 1HG LYS 7 2HG LYS 7 0.290 -8.321 6.762 55 2HG LYS 7 1HG LYS 7 0.185 -9.128 5.198 56 1HD LYS 7 2HD LYS 7 1.349 -10.687 7.464 57 2HD LYS 7 1HD LYS 7 -0.393 -10.411 7.475 58 1HE LYS 7 2HE LYS 7 -0.710 -11.534 5.418 59 2HE LYS 7 1HE LYS 7 1.000 -11.412 4.996 60 1HZ LYS 7 1HZ LYS 7 -0.116 -13.589 6.052 61 2HZ LYS 7 2HZ LYS 7 0.439 -12.821 7.461 62 3HZ LYS 7 3HZ LYS 7 1.525 -13.197 6.211 63 H GLU 8 H GLU 8 3.901 -6.506 6.522 64 HA GLU 8 HA GLU 8 1.996 -4.598 7.423 65 1HB GLU 8 2HB GLU 8 3.739 -5.400 8.918 66 2HB GLU 8 1HB GLU 8 4.982 -4.698 7.881 67 1HG GLU 8 2HG GLU 8 4.472 -3.225 9.817 68 2HG GLU 8 1HG GLU 8 4.062 -2.445 8.295 69 H LEU 9 H LEU 9 4.618 -4.554 5.138 70 HA LEU 9 HA LEU 9 4.753 -1.760 4.582 71 1HB LEU 9 2HB LEU 9 6.469 -3.255 3.732 72 2HB LEU 9 1HB LEU 9 5.274 -4.208 2.853 73 HG LEU 9 HG LEU 9 4.712 -2.016 1.607 74 1HD1 LEU 9 1HD1 LEU 9 6.589 -0.937 3.399 75 2HD1 LEU 9 2HD1 LEU 9 5.885 -0.173 1.971 76 3HD1 LEU 9 3HD1 LEU 9 7.404 -1.010 1.833 77 1HD2 LEU 9 1HD2 LEU 9 7.291 -3.514 1.328 78 2HD2 LEU 9 2HD2 LEU 9 6.788 -2.269 0.176 79 3HD2 LEU 9 3HD2 LEU 9 5.795 -3.696 0.416 80 H GLY 10 H GLY 10 2.708 -4.382 3.459 81 1HA GLY 10 2HA GLY 10 1.289 -2.777 1.616 82 2HA GLY 10 1HA GLY 10 0.844 -4.370 2.177 83 H TRP 11 H TRP 11 0.781 -3.950 4.920 84 HA TRP 11 HA TRP 11 -1.759 -2.804 5.089 85 1HB TRP 11 2HB TRP 11 -0.597 -4.682 6.557 86 2HB TRP 11 1HB TRP 11 -0.417 -3.283 7.627 87 HD1 TRP 11 HD TRP 11 -2.284 -3.929 9.279 88 HE1 TRP 11 1HE TRP 11 -4.858 -4.043 9.154 89 HE3 TRP 11 3HE TRP 11 -3.007 -3.557 4.213 90 HZ2 TRP 11 2HZ TRP 11 -6.925 -3.933 7.193 91 HZ3 TRP 11 3HZ TRP 11 -5.215 -3.531 3.254 92 HH2 TRP 11 HH TRP 11 -7.227 -3.739 4.730 93 H ALA 12 H ALA 12 1.254 -1.639 6.426 94 HA ALA 12 HA ALA 12 0.082 0.533 7.677 95 1HB ALA 12 1HB ALA 12 2.590 1.417 6.703 96 2HB ALA 12 2HB ALA 12 2.749 -0.319 6.970 97 3HB ALA 12 3HB ALA 12 2.242 0.727 8.289 98 H THR 13 H THR 13 1.093 -0.002 4.333 99 HA THR 13 HA THR 13 0.696 2.542 3.199 100 HB THR 13 HB THR 13 0.468 -0.268 2.207 101 HG1 THR 13 1HG THR 13 2.493 0.133 2.165 102 1HG2 THR 13 1HG2 THR 13 -0.110 2.291 0.736 103 2HG2 THR 13 2HG2 THR 13 -1.043 0.796 0.749 104 3HG2 THR 13 3HG2 THR 13 0.499 0.864 -0.096 105 H TRP 14 H TRP 14 -1.554 -0.158 3.677 106 HA TRP 14 HA TRP 14 -3.850 1.072 2.566 107 1HB TRP 14 2HB TRP 14 -3.473 -1.377 3.097 108 2HB TRP 14 1HB TRP 14 -3.796 -0.977 4.771 109 HD1 TRP 14 HD TRP 14 -6.237 -0.742 5.508 110 HE1 TRP 14 1HE TRP 14 -8.503 -1.016 4.321 111 HE3 TRP 14 3HE TRP 14 -4.706 -0.783 0.622 112 HZ2 TRP 14 2HZ TRP 14 -9.519 -1.227 1.661 113 HZ3 TRP 14 3HZ TRP 14 -6.325 -1.029 -1.173 114 HH2 TRP 14 HH TRP 14 -8.703 -1.257 -0.673 115 H GLU 15 H GLU 15 -2.691 0.772 5.904 116 HA GLU 15 HA GLU 15 -4.876 2.017 7.158 117 1HB GLU 15 2HB GLU 15 -1.965 1.794 7.978 118 2HB GLU 15 1HB GLU 15 -3.265 2.323 9.049 119 1HG GLU 15 2HG GLU 15 -4.383 0.197 8.897 120 2HG GLU 15 1HG GLU 15 -3.358 -0.331 7.566 121 H ILE 16 H ILE 16 -1.913 3.307 5.736 122 HA ILE 16 HA ILE 16 -2.346 6.060 6.492 123 HB ILE 16 HB ILE 16 -0.686 4.782 4.262 124 1HG1 ILE 16 2HG1 ILE 16 0.280 5.970 6.862 125 2HG1 ILE 16 1HG1 ILE 16 -0.067 4.271 6.691 126 1HG2 ILE 16 1HG2 ILE 16 0.464 7.231 4.909 127 2HG2 ILE 16 2HG2 ILE 16 -1.262 7.587 4.858 128 3HG2 ILE 16 3HG2 ILE 16 -0.464 6.874 3.458 129 1HD1 ILE 16 1HD1 ILE 16 2.376 5.416 6.169 130 2HD1 ILE 16 2HD1 ILE 16 1.657 5.380 4.553 131 3HD1 ILE 16 3HD1 ILE 16 1.830 3.888 5.485 132 H PHE 17 H PHE 17 -3.138 3.946 3.816 133 HA PHE 17 HA PHE 17 -4.207 5.777 1.935 134 1HB PHE 17 2HB PHE 17 -3.638 3.139 1.929 135 2HB PHE 17 1HB PHE 17 -5.359 3.037 2.212 136 HD1 PHE 17 1HD PHE 17 -6.935 3.540 0.473 137 HD2 PHE 17 2HD PHE 17 -2.742 4.216 -0.122 138 HE1 PHE 17 1HE PHE 17 -7.322 3.759 -1.962 139 HE2 PHE 17 2HE PHE 17 -3.105 4.444 -2.559 140 HZ PHE 17 HZ PHE 17 -5.401 4.211 -3.476 141 H ASN 18 H ASN 18 -5.553 3.993 4.643 142 HA ASN 18 HA ASN 18 -8.274 4.901 4.167 143 1HB ASN 18 2HB ASN 18 -7.043 3.125 6.283 144 2HB ASN 18 1HB ASN 18 -8.761 3.497 6.183 145 1HD2 ASN 18 1HD2 ASN 18 -9.446 1.356 5.651 146 2HD2 ASN 18 2HD2 ASN 18 -9.044 0.604 4.185 147 H LEU 19 H LEU 19 -5.703 6.489 5.549 148 HA LEU 19 HA LEU 19 -6.886 7.277 8.000 149 1HB LEU 19 2HB LEU 19 -4.523 8.103 6.465 150 2HB LEU 19 1HB LEU 19 -5.211 9.358 7.489 151 HG LEU 19 HG LEU 19 -4.397 6.572 8.404 152 1HD1 LEU 19 1HD1 LEU 19 -3.021 9.089 8.136 153 2HD1 LEU 19 2HD1 LEU 19 -2.378 7.508 8.574 154 3HD1 LEU 19 3HD1 LEU 19 -3.052 8.565 9.804 155 1HD2 LEU 19 1HD2 LEU 19 -4.731 8.489 10.527 156 2HD2 LEU 19 2HD2 LEU 19 -5.569 6.950 10.287 157 3HD2 LEU 19 3HD2 LEU 19 -6.215 8.423 9.582 158 HA PRO 20 HA PRO 20 -9.855 10.006 6.156 159 1HB PRO 20 2HB PRO 20 -10.619 10.961 8.776 160 2HB PRO 20 1HB PRO 20 -11.449 9.784 7.746 161 1HG PRO 20 2HG PRO 20 -10.264 9.190 10.123 162 2HG PRO 20 1HG PRO 20 -10.493 8.022 8.808 163 1HD PRO 20 2HD PRO 20 -8.034 9.582 9.530 164 2HD PRO 20 1HD PRO 20 -8.185 7.879 9.073 165 H ASN 21 H ASN 21 -6.950 11.251 7.065 166 HA ASN 21 HA ASN 21 -8.023 13.998 6.683 167 1HB ASN 21 2HB ASN 21 -6.240 13.252 8.993 168 2HB ASN 21 1HB ASN 21 -6.635 14.894 8.523 169 1HD2 ASN 21 1HD2 ASN 21 -7.777 12.117 10.262 170 2HD2 ASN 21 2HD2 ASN 21 -9.292 12.752 10.681 171 H LEU 22 H LEU 22 -5.724 11.754 5.817 172 HA LEU 22 HA LEU 22 -3.580 13.638 5.267 173 1HB LEU 22 2HB LEU 22 -3.967 10.795 4.322 174 2HB LEU 22 1HB LEU 22 -2.486 11.744 4.174 175 HG LEU 22 HG LEU 22 -3.833 10.977 6.783 176 1HD1 LEU 22 1HD1 LEU 22 -1.482 9.795 6.927 177 2HD1 LEU 22 2HD1 LEU 22 -1.583 9.848 5.169 178 3HD1 LEU 22 3HD1 LEU 22 -2.831 9.023 6.098 179 1HD2 LEU 22 1HD2 LEU 22 -1.396 11.743 7.516 180 2HD2 LEU 22 2HD2 LEU 22 -2.701 12.920 7.362 181 3HD2 LEU 22 3HD2 LEU 22 -1.514 12.730 6.063 182 H ASN 23 H ASN 23 -2.875 14.301 3.198 183 HA ASN 23 HA ASN 23 -5.068 14.396 1.235 184 1HB ASN 23 2HB ASN 23 -3.947 16.245 0.215 185 2HB ASN 23 1HB ASN 23 -3.937 16.531 1.949 186 1HD2 ASN 23 1HD2 ASN 23 -2.043 17.588 -0.108 187 2HD2 ASN 23 2HD2 ASN 23 -0.505 17.069 0.382 188 H GLY 24 H GLY 24 -4.441 14.146 -1.074 189 1HA GLY 24 2HA GLY 24 -3.561 11.621 -1.656 190 2HA GLY 24 1HA GLY 24 -3.503 12.949 -2.806 191 H VAL 25 H VAL 25 -1.562 14.516 -1.284 192 HA VAL 25 HA VAL 25 0.822 13.299 -2.317 193 HB VAL 25 HB VAL 25 0.407 15.806 -0.694 194 1HG1 VAL 25 1HG1 VAL 25 2.738 16.296 -1.757 195 2HG1 VAL 25 2HG1 VAL 25 2.846 14.546 -1.950 196 3HG1 VAL 25 3HG1 VAL 25 2.681 15.247 -0.340 197 1HG2 VAL 25 1HG2 VAL 25 -0.624 16.055 -2.823 198 2HG2 VAL 25 2HG2 VAL 25 0.639 15.124 -3.631 199 3HG2 VAL 25 3HG2 VAL 25 0.980 16.754 -3.042 200 H GLN 26 H GLN 26 -0.263 14.037 1.052 201 HA GLN 26 HA GLN 26 2.061 13.028 2.254 202 1HB GLN 26 2HB GLN 26 -0.677 13.654 3.183 203 2HB GLN 26 1HB GLN 26 0.289 12.594 4.198 204 1HG GLN 26 2HG GLN 26 1.814 14.224 4.729 205 2HG GLN 26 1HG GLN 26 1.698 14.991 3.140 206 1HE2 GLN 26 1HE2 GLN 26 -0.271 14.473 6.071 207 2HE2 GLN 26 2HE2 GLN 26 -1.026 15.988 6.018 208 H VAL 27 H VAL 27 -0.999 11.431 1.439 209 HA VAL 27 HA VAL 27 -0.326 8.901 2.539 210 HB VAL 27 HB VAL 27 -2.118 9.500 0.162 211 1HG1 VAL 27 1HG1 VAL 27 -1.891 7.103 2.009 212 2HG1 VAL 27 2HG1 VAL 27 -1.514 7.135 0.286 213 3HG1 VAL 27 3HG1 VAL 27 -3.180 7.332 0.826 214 1HG2 VAL 27 1HG2 VAL 27 -2.823 10.722 2.183 215 2HG2 VAL 27 2HG2 VAL 27 -2.739 9.236 3.126 216 3HG2 VAL 27 3HG2 VAL 27 -3.943 9.403 1.850 217 H LYS 28 H LYS 28 0.048 10.299 -0.677 218 HA LYS 28 HA LYS 28 1.269 8.109 -1.963 219 1HB LYS 28 2HB LYS 28 0.306 10.086 -3.128 220 2HB LYS 28 1HB LYS 28 1.605 11.092 -2.496 221 1HG LYS 28 2HG LYS 28 3.240 9.583 -3.697 222 2HG LYS 28 1HG LYS 28 1.856 8.761 -4.430 223 1HD LYS 28 2HD LYS 28 1.085 10.909 -5.387 224 2HD LYS 28 1HD LYS 28 2.469 11.729 -4.667 225 1HE LYS 28 2HE LYS 28 2.775 9.409 -6.587 226 2HE LYS 28 1HE LYS 28 2.713 11.086 -7.125 227 1HZ LYS 28 1HZ LYS 28 4.527 11.382 -5.300 228 2HZ LYS 28 2HZ LYS 28 4.947 10.798 -6.838 229 3HZ LYS 28 3HZ LYS 28 4.769 9.720 -5.537 230 H ALA 29 H ALA 29 2.541 10.689 0.043 231 HA ALA 29 HA ALA 29 5.294 10.197 -0.454 232 1HB ALA 29 1HB ALA 29 4.063 11.474 1.966 233 2HB ALA 29 2HB ALA 29 4.339 12.328 0.447 234 3HB ALA 29 3HB ALA 29 5.703 11.688 1.360 235 H PHE 30 H PHE 30 3.037 9.260 2.086 236 HA PHE 30 HA PHE 30 4.906 7.919 3.665 237 1HB PHE 30 2HB PHE 30 1.924 7.529 3.407 238 2HB PHE 30 1HB PHE 30 2.931 6.830 4.671 239 HD1 PHE 30 1HD PHE 30 0.575 9.209 4.440 240 HD2 PHE 30 2HD PHE 30 4.783 8.983 5.399 241 HE1 PHE 30 1HE PHE 30 0.402 11.268 5.777 242 HE2 PHE 30 2HE PHE 30 4.577 11.061 6.706 243 HZ PHE 30 HZ PHE 30 2.395 12.189 6.893 244 H ILE 31 H ILE 31 2.871 7.017 0.938 245 HA ILE 31 HA ILE 31 3.547 4.269 0.990 246 HB ILE 31 HB ILE 31 2.447 6.056 -1.170 247 1HG1 ILE 31 2HG1 ILE 31 1.292 3.746 0.423 248 2HG1 ILE 31 1HG1 ILE 31 0.975 5.448 0.727 249 1HG2 ILE 31 1HG2 ILE 31 3.045 4.537 -2.742 250 2HG2 ILE 31 2HG2 ILE 31 2.061 3.339 -1.910 251 3HG2 ILE 31 3HG2 ILE 31 3.770 3.484 -1.530 252 1HD1 ILE 31 1HD1 ILE 31 0.370 4.070 -1.896 253 2HD1 ILE 31 2HD1 ILE 31 -0.109 5.700 -1.415 254 3HD1 ILE 31 3HD1 ILE 31 -0.809 4.299 -0.611 255 H ASP 32 H ASP 32 4.800 7.075 -0.718 256 HA ASP 32 HA ASP 32 6.730 5.757 -2.250 257 1HB ASP 32 2HB ASP 32 6.004 8.165 -2.495 258 2HB ASP 32 1HB ASP 32 7.019 8.538 -1.103 259 H SER 33 H SER 33 6.852 7.060 0.973 260 HA SER 33 HA SER 33 9.595 6.545 1.526 261 1HB SER 33 2HB SER 33 7.201 6.869 3.358 262 2HB SER 33 1HB SER 33 8.882 6.822 3.899 263 HG SER 33 HG SER 33 7.809 8.644 2.001 264 H LEU 34 H LEU 34 6.613 4.761 1.899 265 HA LEU 34 HA LEU 34 7.471 2.478 3.360 266 1HB LEU 34 2HB LEU 34 5.229 3.316 1.640 267 2HB LEU 34 1HB LEU 34 5.542 1.611 1.635 268 HG LEU 34 HG LEU 34 5.579 2.732 4.309 269 1HD1 LEU 34 1HD1 LEU 34 3.241 3.181 2.512 270 2HD1 LEU 34 2HD1 LEU 34 3.818 4.170 3.848 271 3HD1 LEU 34 3HD1 LEU 34 2.926 2.691 4.170 272 1HD2 LEU 34 1HD2 LEU 34 4.283 0.477 2.826 273 2HD2 LEU 34 2HD2 LEU 34 3.855 0.821 4.502 274 3HD2 LEU 34 3HD2 LEU 34 5.509 0.419 4.073 275 H ARG 35 H ARG 35 7.145 3.012 -0.139 276 HA ARG 35 HA ARG 35 8.254 0.553 -0.990 277 1HB ARG 35 2HB ARG 35 8.942 2.854 -2.711 278 2HB ARG 35 1HB ARG 35 8.120 1.357 -3.117 279 1HG ARG 35 2HG ARG 35 6.097 2.326 -1.875 280 2HG ARG 35 1HG ARG 35 6.972 3.845 -1.908 281 1HD ARG 35 2HD ARG 35 5.623 4.003 -3.800 282 2HD ARG 35 1HD ARG 35 7.154 3.440 -4.465 283 HE ARG 35 HE ARG 35 4.668 1.938 -4.257 284 1HH1 ARG 35 1HH1 ARG 35 6.372 1.983 -6.729 285 2HH1 ARG 35 2HH1 ARG 35 7.126 0.426 -6.674 286 1HH2 ARG 35 1HH2 ARG 35 6.386 -0.063 -3.329 287 2HH2 ARG 35 2HH2 ARG 35 7.129 -0.743 -4.746 288 H ASP 36 H ASP 36 9.760 3.705 -0.446 289 HA ASP 36 HA ASP 36 12.390 3.048 -1.186 290 1HB ASP 36 2HB ASP 36 11.494 5.354 -0.913 291 2HB ASP 36 1HB ASP 36 11.517 5.088 0.819 292 H ASP 37 H ASP 37 10.628 2.801 1.811 293 HA ASP 37 HA ASP 37 12.610 0.962 2.865 294 1HB ASP 37 2HB ASP 37 13.304 3.313 3.577 295 2HB ASP 37 1HB ASP 37 11.836 3.347 4.549 296 HA PRO 38 HA PRO 38 8.438 -0.401 3.807 297 1HB PRO 38 2HB PRO 38 9.476 -3.064 3.952 298 2HB PRO 38 1HB PRO 38 8.432 -2.353 2.734 299 1HG PRO 38 2HG PRO 38 11.064 -3.132 2.382 300 2HG PRO 38 1HG PRO 38 10.118 -2.108 1.294 301 1HD PRO 38 2HD PRO 38 12.235 -1.344 3.208 302 2HD PRO 38 1HD PRO 38 11.652 -0.496 1.758 303 H SER 39 H SER 39 11.428 -1.172 5.457 304 HA SER 39 HA SER 39 10.343 -2.368 7.773 305 1HB SER 39 2HB SER 39 12.836 -0.646 7.641 306 2HB SER 39 1HB SER 39 12.467 -1.898 8.822 307 HG SER 39 HG SER 39 13.197 -2.116 6.120 308 H GLN 40 H GLN 40 10.660 0.886 6.634 309 HA GLN 40 HA GLN 40 9.969 2.143 9.141 310 1HB GLN 40 2HB GLN 40 10.907 2.993 6.491 311 2HB GLN 40 1HB GLN 40 9.724 4.083 7.196 312 1HG GLN 40 2HG GLN 40 11.850 4.853 7.937 313 2HG GLN 40 1HG GLN 40 11.120 4.045 9.319 314 1HE2 GLN 40 1HE2 GLN 40 13.965 4.212 7.495 315 2HE2 GLN 40 2HE2 GLN 40 14.651 2.734 7.964 316 H SER 41 H SER 41 8.162 0.496 6.917 317 HA SER 41 HA SER 41 6.018 2.052 6.186 318 1HB SER 41 2HB SER 41 4.716 -0.029 6.161 319 2HB SER 41 1HB SER 41 6.351 -0.349 5.596 320 HG SER 41 HG SER 41 6.825 -1.316 7.485 321 H ALA 42 H ALA 42 6.630 0.577 9.332 322 HA ALA 42 HA ALA 42 4.122 1.147 10.552 323 1HB ALA 42 1HB ALA 42 5.850 -0.467 11.394 324 2HB ALA 42 2HB ALA 42 5.293 0.678 12.616 325 3HB ALA 42 3HB ALA 42 6.853 0.924 11.820 326 H ASN 43 H ASN 43 7.202 2.757 10.301 327 HA ASN 43 HA ASN 43 6.717 4.913 12.036 328 1HB ASN 43 2HB ASN 43 8.673 4.196 9.907 329 2HB ASN 43 1HB ASN 43 8.649 5.858 10.506 330 1HD2 ASN 43 1HD2 ASN 43 9.962 2.788 11.081 331 2HD2 ASN 43 2HD2 ASN 43 10.443 3.020 12.693 332 H LEU 44 H LEU 44 6.215 4.372 8.660 333 HA LEU 44 HA LEU 44 5.577 7.052 7.905 334 1HB LEU 44 2HB LEU 44 5.114 4.374 6.560 335 2HB LEU 44 1HB LEU 44 5.046 5.959 5.768 336 HG LEU 44 HG LEU 44 7.454 5.102 7.362 337 1HD1 LEU 44 1HD1 LEU 44 6.843 4.521 4.496 338 2HD1 LEU 44 2HD1 LEU 44 7.455 3.442 5.753 339 3HD1 LEU 44 3HD1 LEU 44 8.501 4.689 5.083 340 1HD2 LEU 44 1HD2 LEU 44 7.263 7.404 7.045 341 2HD2 LEU 44 2HD2 LEU 44 6.844 7.203 5.345 342 3HD2 LEU 44 3HD2 LEU 44 8.477 6.833 5.900 343 H LEU 45 H LEU 45 3.976 4.196 8.815 344 HA LEU 45 HA LEU 45 1.282 5.073 8.448 345 1HB LEU 45 2HB LEU 45 1.617 2.726 8.657 346 2HB LEU 45 1HB LEU 45 2.593 2.912 10.110 347 HG LEU 45 HG LEU 45 0.624 3.658 11.367 348 1HD1 LEU 45 1HD1 LEU 45 -1.639 3.361 10.166 349 2HD1 LEU 45 2HD1 LEU 45 -0.713 3.437 8.668 350 3HD1 LEU 45 3HD1 LEU 45 -0.704 4.806 9.779 351 1HD2 LEU 45 1HD2 LEU 45 -0.626 1.522 11.305 352 2HD2 LEU 45 2HD2 LEU 45 1.118 1.265 11.246 353 3HD2 LEU 45 3HD2 LEU 45 0.157 1.119 9.774 354 H ALA 46 H ALA 46 3.688 5.192 10.946 355 HA ALA 46 HA ALA 46 2.142 6.298 13.025 356 1HB ALA 46 1HB ALA 46 5.063 6.861 12.639 357 2HB ALA 46 2HB ALA 46 4.520 5.248 13.105 358 3HB ALA 46 3HB ALA 46 4.183 6.625 14.151 359 H GLU 47 H GLU 47 4.244 7.620 10.571 360 HA GLU 47 HA GLU 47 4.067 10.337 11.233 361 1HB GLU 47 2HB GLU 47 4.699 8.738 8.791 362 2HB GLU 47 1HB GLU 47 4.566 10.490 8.671 363 1HG GLU 47 2HG GLU 47 6.465 8.915 10.414 364 2HG GLU 47 1HG GLU 47 6.876 9.870 8.994 365 H ALA 48 H ALA 48 2.196 8.188 9.218 366 HA ALA 48 HA ALA 48 0.552 10.154 8.048 367 1HB ALA 48 1HB ALA 48 0.817 8.038 7.008 368 2HB ALA 48 2HB ALA 48 -0.848 8.107 7.558 369 3HB ALA 48 3HB ALA 48 0.343 7.187 8.473 370 H LYS 49 H LYS 49 0.203 7.975 10.823 371 HA LYS 49 HA LYS 49 -2.395 8.798 11.588 372 1HB LYS 49 2HB LYS 49 -0.101 7.664 13.209 373 2HB LYS 49 1HB LYS 49 -1.717 7.936 13.860 374 1HG LYS 49 2HG LYS 49 -1.323 6.306 11.348 375 2HG LYS 49 1HG LYS 49 -1.148 5.567 12.937 376 1HD LYS 49 2HD LYS 49 -3.427 6.180 13.526 377 2HD LYS 49 1HD LYS 49 -3.607 7.102 12.035 378 1HE LYS 49 2HE LYS 49 -4.676 4.871 11.859 379 2HE LYS 49 1HE LYS 49 -3.353 5.048 10.708 380 1HZ LYS 49 1HZ LYS 49 -3.087 3.764 13.372 381 2HZ LYS 49 2HZ LYS 49 -1.915 3.817 12.143 382 3HZ LYS 49 3HZ LYS 49 -3.337 2.913 11.926 383 H LYS 50 H LYS 50 0.817 10.111 12.037 384 HA LYS 50 HA LYS 50 0.057 12.043 13.978 385 1HB LYS 50 2HB LYS 50 2.351 11.126 13.738 386 2HB LYS 50 1HB LYS 50 2.473 11.957 12.191 387 1HG LYS 50 2HG LYS 50 2.275 14.118 13.245 388 2HG LYS 50 1HG LYS 50 1.869 13.379 14.797 389 1HD LYS 50 2HD LYS 50 4.223 14.029 14.817 390 2HD LYS 50 1HD LYS 50 4.090 12.271 14.822 391 1HE LYS 50 2HE LYS 50 5.820 13.072 13.222 392 2HE LYS 50 1HE LYS 50 4.522 12.188 12.426 393 1HZ LYS 50 1HZ LYS 50 5.220 14.330 11.350 394 2HZ LYS 50 2HZ LYS 50 4.523 15.138 12.673 395 3HZ LYS 50 3HZ LYS 50 3.560 14.173 11.659 396 H LEU 51 H LEU 51 0.555 11.998 10.518 397 HA LEU 51 HA LEU 51 0.105 14.771 10.139 398 1HB LEU 51 2HB LEU 51 0.427 12.399 8.383 399 2HB LEU 51 1HB LEU 51 -0.478 13.751 7.713 400 HG LEU 51 HG LEU 51 1.833 14.040 7.123 401 1HD1 LEU 51 1HD1 LEU 51 0.347 15.985 8.196 402 2HD1 LEU 51 2HD1 LEU 51 2.001 16.258 7.652 403 3HD1 LEU 51 3HD1 LEU 51 1.670 15.991 9.363 404 1HD2 LEU 51 1HD2 LEU 51 3.452 14.451 9.162 405 2HD2 LEU 51 2HD2 LEU 51 3.132 12.809 8.619 406 3HD2 LEU 51 3HD2 LEU 51 2.293 13.447 10.034 407 H ASN 52 H ASN 52 -1.854 11.886 9.923 408 HA ASN 52 HA ASN 52 -4.247 13.039 9.032 409 1HB ASN 52 2HB ASN 52 -3.826 10.634 9.038 410 2HB ASN 52 1HB ASN 52 -3.768 10.626 10.796 411 1HD2 ASN 52 1HD2 ASN 52 -5.802 10.889 11.955 412 2HD2 ASN 52 2HD2 ASN 52 -7.293 10.747 11.156 413 H ASP 53 H ASP 53 -2.927 12.342 12.240 414 HA ASP 53 HA ASP 53 -5.106 13.301 13.725 415 1HB ASP 53 2HB ASP 53 -3.446 11.864 14.745 416 2HB ASP 53 1HB ASP 53 -2.198 13.083 14.497 417 H ALA 54 H ALA 54 -2.173 14.824 12.531 418 HA ALA 54 HA ALA 54 -2.495 17.337 13.757 419 1HB ALA 54 1HB ALA 54 -1.060 16.446 11.256 420 2HB ALA 54 2HB ALA 54 -0.359 16.790 12.835 421 3HB ALA 54 3HB ALA 54 -0.998 18.106 11.849 422 H GLN 55 H GLN 55 -3.625 15.915 10.745 423 HA GLN 55 HA GLN 55 -4.984 18.362 9.903 424 1HB GLN 55 2HB GLN 55 -4.654 15.603 8.719 425 2HB GLN 55 1HB GLN 55 -5.657 16.855 7.971 426 1HG GLN 55 2HG GLN 55 -3.774 18.312 7.677 427 2HG GLN 55 1HG GLN 55 -2.751 17.307 8.701 428 1HE2 GLN 55 1HE2 GLN 55 -2.765 14.855 7.822 429 2HE2 GLN 55 2HE2 GLN 55 -2.478 14.721 6.155 430 H ALA 56 H ALA 56 -5.664 16.073 12.144 431 HA ALA 56 HA ALA 56 -8.372 15.397 11.476 432 1HB ALA 56 1HB ALA 56 -8.486 14.410 13.683 433 2HB ALA 56 2HB ALA 56 -7.037 15.271 14.190 434 3HB ALA 56 3HB ALA 56 -6.926 14.004 12.974 435 HA PRO 57 HA PRO 57 -10.502 18.867 13.066 436 1HB PRO 57 2HB PRO 57 -12.729 17.279 14.012 437 2HB PRO 57 1HB PRO 57 -12.579 18.154 12.483 438 1HG PRO 57 2HG PRO 57 -12.698 15.454 12.683 439 2HG PRO 57 1HG PRO 57 -11.887 16.313 11.363 440 1HD PRO 57 2HD PRO 57 -10.694 15.115 13.836 441 2HD PRO 57 1HD PRO 57 -10.140 14.990 12.148 442 H LYS 58 H LYS 58 -8.632 17.911 14.909 443 HA LYS 58 HA LYS 58 -9.492 17.405 17.508 444 1HB LYS 58 2HB LYS 58 -7.104 18.985 16.636 445 2HB LYS 58 1HB LYS 58 -7.327 18.289 18.233 446 1HG LYS 58 2HG LYS 58 -7.542 16.028 17.110 447 2HG LYS 58 1HG LYS 58 -7.062 16.803 15.603 448 1HD LYS 58 2HD LYS 58 -5.405 16.857 18.144 449 2HD LYS 58 1HD LYS 58 -5.153 15.725 16.820 450 1HE LYS 58 2HE LYS 58 -5.094 17.964 15.372 451 2HE LYS 58 1HE LYS 58 -4.624 18.669 16.920 452 1HZ LYS 58 1HZ LYS 58 -2.686 17.963 15.701 453 2HZ LYS 58 2HZ LYS 58 -3.302 16.384 15.559 454 3HZ LYS 58 3HZ LYS 58 -2.869 16.997 17.083 455 1H VAL 1 1HT VAL 1 -18.287 -8.188 4.961 456 2H VAL 1 2HT VAL 1 -19.495 -7.160 5.571 457 3H VAL 1 3HT VAL 1 -17.860 -6.702 5.658 458 HA VAL 1 HA VAL 1 -19.575 -6.901 3.253 459 HB VAL 1 HB VAL 1 -17.883 -4.646 4.399 460 1HG1 VAL 1 1HG1 VAL 1 -19.807 -4.788 2.055 461 2HG1 VAL 1 2HG1 VAL 1 -18.080 -4.439 1.990 462 3HG1 VAL 1 3HG1 VAL 1 -19.187 -3.281 2.726 463 1HG2 VAL 1 1HG2 VAL 1 -20.138 -3.612 4.866 464 2HG2 VAL 1 2HG2 VAL 1 -19.795 -5.037 5.845 465 3HG2 VAL 1 3HG2 VAL 1 -20.877 -5.161 4.458 466 H ASP 2 H ASP 2 -16.247 -6.262 4.387 467 HA ASP 2 HA ASP 2 -15.077 -6.542 1.792 468 1HB ASP 2 2HB ASP 2 -14.044 -5.202 3.606 469 2HB ASP 2 1HB ASP 2 -13.746 -6.684 4.511 470 H ASN 3 H ASN 3 -13.940 -8.232 0.920 471 HA ASN 3 HA ASN 3 -14.799 -10.853 1.475 472 1HB ASN 3 2HB ASN 3 -12.358 -9.980 -0.090 473 2HB ASN 3 1HB ASN 3 -13.176 -11.534 -0.211 474 1HD2 ASN 3 1HD2 ASN 3 -12.839 -8.893 -2.015 475 2HD2 ASN 3 2HD2 ASN 3 -14.396 -8.734 -2.668 476 H LYS 4 H LYS 4 -13.171 -12.691 1.814 477 HA LYS 4 HA LYS 4 -11.961 -12.428 4.364 478 1HB LYS 4 2HB LYS 4 -10.995 -14.702 3.865 479 2HB LYS 4 1HB LYS 4 -12.744 -14.598 3.699 480 1HG LYS 4 2HG LYS 4 -12.618 -15.237 1.543 481 2HG LYS 4 1HG LYS 4 -11.544 -13.897 1.176 482 1HD LYS 4 2HD LYS 4 -10.547 -16.451 2.459 483 2HD LYS 4 1HD LYS 4 -10.637 -16.250 0.712 484 1HE LYS 4 2HE LYS 4 -9.337 -13.958 1.373 485 2HE LYS 4 1HE LYS 4 -8.767 -15.013 2.662 486 1HZ LYS 4 1HZ LYS 4 -8.251 -15.117 -0.189 487 2HZ LYS 4 2HZ LYS 4 -8.530 -16.619 0.555 488 3HZ LYS 4 3HZ LYS 4 -7.279 -15.611 1.110 489 H PHE 5 H PHE 5 -10.951 -11.390 1.386 490 HA PHE 5 HA PHE 5 -8.168 -11.874 1.508 491 1HB PHE 5 2HB PHE 5 -9.927 -10.060 -0.129 492 2HB PHE 5 1HB PHE 5 -8.167 -10.014 -0.275 493 HD1 PHE 5 1HD PHE 5 -7.124 -11.502 -1.748 494 HD2 PHE 5 2HD PHE 5 -10.989 -12.468 -0.140 495 HE1 PHE 5 1HE PHE 5 -7.172 -13.568 -3.113 496 HE2 PHE 5 2HE PHE 5 -11.041 -14.532 -1.519 497 HZ PHE 5 HZ PHE 5 -9.123 -15.084 -2.994 498 H ASN 6 H ASN 6 -9.780 -10.136 3.714 499 HA ASN 6 HA ASN 6 -8.530 -7.606 3.764 500 1HB ASN 6 2HB ASN 6 -8.920 -7.610 6.188 501 2HB ASN 6 1HB ASN 6 -10.335 -8.207 5.333 502 1HD2 ASN 6 1HD2 ASN 6 -8.859 -10.911 4.900 503 2HD2 ASN 6 2HD2 ASN 6 -9.003 -11.677 6.406 504 H LYS 7 H LYS 7 -7.367 -10.762 4.806 505 HA LYS 7 HA LYS 7 -4.836 -9.812 5.804 506 1HB LYS 7 2HB LYS 7 -5.794 -11.896 6.647 507 2HB LYS 7 1HB LYS 7 -5.823 -12.574 5.020 508 1HG LYS 7 2HG LYS 7 -3.330 -12.367 4.928 509 2HG LYS 7 1HG LYS 7 -3.345 -11.801 6.601 510 1HD LYS 7 2HD LYS 7 -4.347 -13.913 7.338 511 2HD LYS 7 1HD LYS 7 -4.444 -14.476 5.669 512 1HE LYS 7 2HE LYS 7 -1.849 -13.742 7.058 513 2HE LYS 7 1HE LYS 7 -2.466 -15.388 6.925 514 1HZ LYS 7 1HZ LYS 7 -1.521 -13.592 4.786 515 2HZ LYS 7 2HZ LYS 7 -2.596 -14.858 4.431 516 3HZ LYS 7 3HZ LYS 7 -1.074 -15.197 5.106 517 H GLU 8 H GLU 8 -5.967 -11.510 2.915 518 HA GLU 8 HA GLU 8 -3.509 -11.705 1.552 519 1HB GLU 8 2HB GLU 8 -6.337 -11.608 0.437 520 2HB GLU 8 1HB GLU 8 -4.915 -12.209 -0.420 521 1HG GLU 8 2HG GLU 8 -6.237 -13.388 2.040 522 2HG GLU 8 1HG GLU 8 -6.059 -14.132 0.451 523 H ARG 9 H ARG 9 -5.959 -9.205 1.611 524 HA ARG 9 HA ARG 9 -5.210 -7.721 -0.645 525 1HB ARG 9 2HB ARG 9 -7.308 -7.444 0.727 526 2HB ARG 9 1HB ARG 9 -6.339 -6.615 1.942 527 1HG ARG 9 2HG ARG 9 -5.607 -5.281 -0.349 528 2HG ARG 9 1HG ARG 9 -7.286 -5.679 -0.695 529 1HD ARG 9 2HD ARG 9 -6.182 -4.022 1.556 530 2HD ARG 9 1HD ARG 9 -7.421 -3.600 0.389 531 HE ARG 9 HE ARG 9 -7.853 -4.852 2.898 532 1HH1 ARG 9 1HH2 ARG 9 -9.844 -3.406 1.006 533 2HH1 ARG 9 2HH2 ARG 9 -10.994 -4.674 0.738 534 1HH2 ARG 9 1HH1 ARG 9 -8.905 -7.169 1.929 535 2HH2 ARG 9 2HH1 ARG 9 -10.463 -6.806 1.267 536 H VAL 10 H VAL 10 -4.198 -7.478 2.789 537 HA VAL 10 HA VAL 10 -2.493 -5.266 2.387 538 HB VAL 10 HB VAL 10 -2.103 -5.295 4.573 539 1HG1 VAL 10 1HG1 VAL 10 -3.805 -7.749 4.917 540 2HG1 VAL 10 2HG1 VAL 10 -4.516 -6.236 4.354 541 3HG1 VAL 10 3HG1 VAL 10 -3.719 -6.304 5.934 542 1HG2 VAL 10 1HG2 VAL 10 -0.327 -7.004 4.262 543 2HG2 VAL 10 2HG2 VAL 10 -1.541 -8.253 4.578 544 3HG2 VAL 10 3HG2 VAL 10 -1.131 -7.075 5.832 545 H ILE 11 H ILE 11 -1.958 -8.739 2.032 546 HA ILE 11 HA ILE 11 0.861 -8.561 1.737 547 HB ILE 11 HB ILE 11 -1.005 -10.611 0.504 548 1HG1 ILE 11 2HG1 ILE 11 0.168 -10.218 3.234 549 2HG1 ILE 11 1HG1 ILE 11 -1.370 -10.935 2.773 550 1HG2 ILE 11 1HG2 ILE 11 1.991 -10.705 1.070 551 2HG2 ILE 11 2HG2 ILE 11 1.273 -10.489 -0.528 552 3HG2 ILE 11 3HG2 ILE 11 1.029 -11.996 0.346 553 1HD1 ILE 11 1HD1 ILE 11 -0.130 -12.774 3.555 554 2HD1 ILE 11 2HD1 ILE 11 1.365 -12.202 2.811 555 3HD1 ILE 11 3HD1 ILE 11 0.076 -12.876 1.807 556 H ALA 12 H ALA 12 -1.838 -8.188 -0.562 557 HA ALA 12 HA ALA 12 -0.238 -7.995 -2.923 558 1HB ALA 12 1HB ALA 12 -2.991 -7.037 -2.148 559 2HB ALA 12 2HB ALA 12 -2.569 -8.344 -3.248 560 3HB ALA 12 3HB ALA 12 -2.289 -6.666 -3.722 561 H ILE 13 H ILE 13 -1.622 -5.594 -0.720 562 HA ILE 13 HA ILE 13 -0.529 -3.299 -1.944 563 HB ILE 13 HB ILE 13 -1.087 -3.820 1.010 564 1HG1 ILE 13 2HG1 ILE 13 -2.870 -2.505 -1.007 565 2HG1 ILE 13 1HG1 ILE 13 -2.924 -4.240 -0.740 566 1HG2 ILE 13 1HG2 ILE 13 -1.581 -1.358 1.020 567 2HG2 ILE 13 2HG2 ILE 13 -0.882 -1.265 -0.601 568 3HG2 ILE 13 3HG2 ILE 13 0.124 -1.725 0.755 569 1HD1 ILE 13 1HD1 ILE 13 -3.338 -2.144 1.379 570 2HD1 ILE 13 2HD1 ILE 13 -3.478 -3.877 1.606 571 3HD1 ILE 13 3HD1 ILE 13 -4.631 -3.030 0.578 572 H GLY 14 H GLY 14 0.645 -5.623 0.368 573 1HA GLY 14 2HA GLY 14 3.128 -4.460 1.002 574 2HA GLY 14 1HA GLY 14 2.726 -6.169 1.096 575 H GLU 15 H GLU 15 2.176 -6.694 -1.604 576 HA GLU 15 HA GLU 15 4.830 -7.065 -2.559 577 1HB GLU 15 2HB GLU 15 2.819 -8.575 -2.904 578 2HB GLU 15 1HB GLU 15 2.258 -7.422 -4.090 579 1HG GLU 15 2HG GLU 15 3.615 -9.456 -4.923 580 2HG GLU 15 1HG GLU 15 4.036 -7.880 -5.581 581 H ILE 16 H ILE 16 2.087 -5.055 -3.534 582 HA ILE 16 HA ILE 16 3.283 -3.855 -5.803 583 HB ILE 16 HB ILE 16 1.521 -2.241 -3.982 584 1HG1 ILE 16 2HG1 ILE 16 0.956 -4.924 -4.954 585 2HG1 ILE 16 1HG1 ILE 16 0.054 -3.917 -3.835 586 1HG2 ILE 16 1HG2 ILE 16 0.558 -1.490 -6.125 587 2HG2 ILE 16 2HG2 ILE 16 1.610 -2.603 -6.989 588 3HG2 ILE 16 3HG2 ILE 16 2.301 -1.255 -6.100 589 1HD1 ILE 16 1HD1 ILE 16 -0.932 -2.763 -5.744 590 2HD1 ILE 16 2HD1 ILE 16 -1.318 -4.485 -5.679 591 3HD1 ILE 16 3HD1 ILE 16 -0.107 -3.894 -6.820 592 H MET 17 H MET 17 3.047 -2.713 -2.499 593 HA MET 17 HA MET 17 4.645 -0.413 -2.675 594 1HB MET 17 2HB MET 17 4.129 -2.233 -0.336 595 2HB MET 17 1HB MET 17 4.793 -0.599 -0.249 596 1HG MET 17 2HG MET 17 2.116 -1.222 -1.520 597 2HG MET 17 1HG MET 17 2.295 -0.725 0.157 598 1HE MET 17 1HE MET 17 4.872 1.746 -0.500 599 2HE MET 17 2HE MET 17 3.917 0.882 0.722 600 3HE MET 17 3HE MET 17 3.505 2.555 0.290 601 H ARG 18 H ARG 18 5.510 -3.781 -2.575 602 HA ARG 18 HA ARG 18 8.263 -3.289 -1.842 603 1HB ARG 18 2HB ARG 18 6.544 -5.603 -2.223 604 2HB ARG 18 1HB ARG 18 8.213 -5.837 -2.722 605 1HG ARG 18 2HG ARG 18 8.390 -4.412 -0.308 606 2HG ARG 18 1HG ARG 18 7.110 -5.576 -0.030 607 1HD ARG 18 2HD ARG 18 9.358 -6.742 -1.442 608 2HD ARG 18 1HD ARG 18 9.830 -6.045 0.100 609 HE ARG 18 HE ARG 18 8.156 -7.470 1.156 610 1HH1 ARG 18 1HH2 ARG 18 7.259 -7.934 -1.937 611 2HH1 ARG 18 2HH2 ARG 18 7.446 -9.654 -1.983 612 1HH2 ARG 18 1HH1 ARG 18 9.138 -9.809 1.036 613 2HH2 ARG 18 2HH1 ARG 18 8.512 -10.716 -0.300 614 H LEU 19 H LEU 19 6.376 -3.826 -4.777 615 HA LEU 19 HA LEU 19 8.430 -4.443 -6.578 616 1HB LEU 19 2HB LEU 19 5.912 -2.852 -7.029 617 2HB LEU 19 1HB LEU 19 6.980 -3.345 -8.315 618 HG LEU 19 HG LEU 19 5.689 -5.295 -6.397 619 1HD1 LEU 19 1HD1 LEU 19 4.003 -4.014 -7.712 620 2HD1 LEU 19 2HD1 LEU 19 4.039 -5.716 -8.134 621 3HD1 LEU 19 3HD1 LEU 19 4.807 -4.530 -9.194 622 1HD2 LEU 19 1HD2 LEU 19 7.779 -5.618 -8.153 623 2HD2 LEU 19 2HD2 LEU 19 6.394 -6.112 -9.123 624 3HD2 LEU 19 3HD2 LEU 19 6.727 -6.908 -7.585 625 HA PRO 20 HA PRO 20 10.561 -0.513 -6.185 626 1HB PRO 20 2HB PRO 20 12.757 -1.669 -7.649 627 2HB PRO 20 1HB PRO 20 12.655 -1.308 -5.924 628 1HG PRO 20 2HG PRO 20 12.794 -3.817 -7.001 629 2HG PRO 20 1HG PRO 20 12.149 -3.435 -5.397 630 1HD PRO 20 2HD PRO 20 10.680 -4.002 -7.935 631 2HD PRO 20 1HD PRO 20 10.270 -4.433 -6.260 632 H ASN 21 H ASN 21 9.275 -1.938 -8.958 633 HA ASN 21 HA ASN 21 10.460 0.065 -10.767 634 1HB ASN 21 2HB ASN 21 8.800 -2.381 -11.348 635 2HB ASN 21 1HB ASN 21 9.455 -1.296 -12.562 636 1HD2 ASN 21 1HD2 ASN 21 10.117 -4.132 -12.329 637 2HD2 ASN 21 2HD2 ASN 21 11.776 -4.226 -11.986 638 H LEU 22 H LEU 22 7.547 -0.693 -9.044 639 HA LEU 22 HA LEU 22 5.767 0.790 -10.743 640 1HB LEU 22 2HB LEU 22 5.451 -0.061 -7.866 641 2HB LEU 22 1HB LEU 22 4.184 0.667 -8.829 642 HG LEU 22 HG LEU 22 5.507 -2.020 -9.202 643 1HD1 LEU 22 1HD1 LEU 22 2.660 -1.068 -8.765 644 2HD1 LEU 22 2HD1 LEU 22 3.644 -2.012 -7.650 645 3HD1 LEU 22 3HD1 LEU 22 3.085 -2.732 -9.161 646 1HD2 LEU 22 1HD2 LEU 22 5.383 -1.256 -11.397 647 2HD2 LEU 22 2HD2 LEU 22 3.915 -0.317 -11.074 648 3HD2 LEU 22 3HD2 LEU 22 3.832 -2.066 -11.178 649 H ASN 23 H ASN 23 4.676 2.690 -10.210 650 HA ASN 23 HA ASN 23 6.364 4.744 -8.971 651 1HB ASN 23 2HB ASN 23 5.559 5.701 -10.890 652 2HB ASN 23 1HB ASN 23 4.254 4.562 -11.034 653 1HD2 ASN 23 1HD2 ASN 23 2.598 6.040 -11.499 654 2HD2 ASN 23 2HD2 ASN 23 2.100 7.247 -10.418 655 H SER 24 H SER 24 5.463 6.112 -7.255 656 HA SER 24 HA SER 24 4.100 4.664 -5.246 657 1HB SER 24 2HB SER 24 3.889 6.865 -4.099 658 2HB SER 24 1HB SER 24 5.524 6.551 -4.673 659 HG SER 24 HG SER 24 4.634 7.709 -6.662 660 H LEU 25 H LEU 25 3.022 7.005 -7.632 661 HA LEU 25 HA LEU 25 0.291 7.040 -6.821 662 1HB LEU 25 2HB LEU 25 1.902 8.353 -8.810 663 2HB LEU 25 1HB LEU 25 0.441 7.741 -9.535 664 HG LEU 25 HG LEU 25 0.551 9.422 -7.067 665 1HD1 LEU 25 1HD1 LEU 25 -0.295 10.125 -9.889 666 2HD1 LEU 25 2HD1 LEU 25 1.167 10.701 -9.086 667 3HD1 LEU 25 3HD1 LEU 25 -0.418 11.193 -8.490 668 1HD2 LEU 25 1HD2 LEU 25 -1.484 7.800 -8.367 669 2HD2 LEU 25 2HD2 LEU 25 -2.008 9.467 -8.112 670 3HD2 LEU 25 3HD2 LEU 25 -1.471 8.489 -6.746 671 H GLN 26 H GLN 26 2.216 5.134 -9.100 672 HA GLN 26 HA GLN 26 0.049 3.831 -10.407 673 1HB GLN 26 2HB GLN 26 2.947 3.339 -10.090 674 2HB GLN 26 1HB GLN 26 1.976 1.914 -10.411 675 1HG GLN 26 2HG GLN 26 1.073 2.944 -12.443 676 2HG GLN 26 1HG GLN 26 1.978 4.425 -12.118 677 1HE2 GLN 26 1HE2 GLN 26 3.850 1.807 -11.093 678 2HE2 GLN 26 2HE2 GLN 26 4.791 1.622 -12.491 679 H VAL 27 H VAL 27 1.923 3.212 -7.553 680 HA VAL 27 HA VAL 27 0.848 0.718 -6.842 681 HB VAL 27 HB VAL 27 2.316 2.865 -5.321 682 1HG1 VAL 27 1HG1 VAL 27 1.304 1.849 -3.509 683 2HG1 VAL 27 2HG1 VAL 27 2.682 0.778 -3.736 684 3HG1 VAL 27 3HG1 VAL 27 1.093 0.309 -4.346 685 1HG2 VAL 27 1HG2 VAL 27 3.668 0.362 -5.502 686 2HG2 VAL 27 2HG2 VAL 27 4.078 1.869 -6.316 687 3HG2 VAL 27 3HG2 VAL 27 3.007 0.710 -7.100 688 H VAL 28 H VAL 28 -0.015 4.042 -6.025 689 HA VAL 28 HA VAL 28 -2.131 3.440 -4.264 690 HB VAL 28 HB VAL 28 -1.756 5.815 -6.114 691 1HG1 VAL 28 1HG1 VAL 28 -3.724 6.595 -5.351 692 2HG1 VAL 28 2HG1 VAL 28 -3.237 6.318 -3.678 693 3HG1 VAL 28 3HG1 VAL 28 -3.996 5.025 -4.601 694 1HG2 VAL 28 1HG2 VAL 28 -0.274 6.636 -4.608 695 2HG2 VAL 28 2HG2 VAL 28 -0.224 5.023 -3.900 696 3HG2 VAL 28 3HG2 VAL 28 -1.329 6.235 -3.252 697 H ALA 29 H ALA 29 -1.821 3.595 -7.760 698 HA ALA 29 HA ALA 29 -4.519 3.573 -8.533 699 1HB ALA 29 1HB ALA 29 -2.081 3.555 -9.829 700 2HB ALA 29 2HB ALA 29 -3.640 3.340 -10.629 701 3HB ALA 29 3HB ALA 29 -2.679 1.928 -10.171 702 H PHE 30 H PHE 30 -2.222 0.998 -7.826 703 HA PHE 30 HA PHE 30 -4.046 -1.125 -8.244 704 1HB PHE 30 2HB PHE 30 -1.329 -0.961 -6.907 705 2HB PHE 30 1HB PHE 30 -2.194 -2.460 -7.235 706 HD1 PHE 30 1HD PHE 30 -3.252 -2.373 -9.879 707 HD2 PHE 30 2HD PHE 30 0.391 -0.527 -8.460 708 HE1 PHE 30 1HE PHE 30 -2.377 -2.266 -12.170 709 HE2 PHE 30 2HE PHE 30 1.224 -0.447 -10.754 710 HZ PHE 30 HZ PHE 30 -0.149 -1.321 -12.619 711 H ILE 31 H ILE 31 -2.796 0.571 -5.344 712 HA ILE 31 HA ILE 31 -4.034 -1.058 -3.411 713 HB ILE 31 HB ILE 31 -3.403 1.908 -3.307 714 1HG1 ILE 31 2HG1 ILE 31 -1.888 -0.384 -2.036 715 2HG1 ILE 31 1HG1 ILE 31 -1.498 0.188 -3.647 716 1HG2 ILE 31 1HG2 ILE 31 -4.188 -0.078 -1.161 717 2HG2 ILE 31 2HG2 ILE 31 -5.026 1.411 -1.586 718 3HG2 ILE 31 3HG2 ILE 31 -3.449 1.478 -0.803 719 1HD1 ILE 31 1HD1 ILE 31 -0.060 1.304 -1.976 720 2HD1 ILE 31 2HD1 ILE 31 -1.497 1.879 -1.122 721 3HD1 ILE 31 3HD1 ILE 31 -1.141 2.468 -2.749 722 H ASN 32 H ASN 32 -5.138 1.890 -5.013 723 HA ASN 32 HA ASN 32 -7.653 2.106 -3.806 724 1HB ASN 32 2HB ASN 32 -6.479 3.826 -5.226 725 2HB ASN 32 1HB ASN 32 -6.933 2.884 -6.639 726 1HD2 ASN 32 1HD2 ASN 32 -8.186 4.799 -7.304 727 2HD2 ASN 32 2HD2 ASN 32 -9.720 5.083 -6.635 728 H SER 33 H SER 33 -6.504 0.023 -6.433 729 HA SER 33 HA SER 33 -9.123 -0.678 -7.302 730 1HB SER 33 2HB SER 33 -6.375 -1.499 -7.988 731 2HB SER 33 1HB SER 33 -7.708 -2.564 -8.440 732 HG SER 33 HG SER 33 -8.099 0.123 -8.934 733 H LEU 34 H LEU 34 -6.863 -1.817 -4.892 734 HA LEU 34 HA LEU 34 -8.060 -4.378 -4.426 735 1HB LEU 34 2HB LEU 34 -6.877 -2.650 -2.243 736 2HB LEU 34 1HB LEU 34 -6.900 -4.403 -2.346 737 HG LEU 34 HG LEU 34 -5.307 -2.560 -4.130 738 1HD1 LEU 34 1HD1 LEU 34 -3.418 -3.155 -2.952 739 2HD1 LEU 34 2HD1 LEU 34 -4.182 -4.600 -2.263 740 3HD1 LEU 34 3HD1 LEU 34 -4.633 -2.990 -1.680 741 1HD2 LEU 34 1HD2 LEU 34 -5.967 -4.543 -5.308 742 2HD2 LEU 34 2HD2 LEU 34 -5.464 -5.545 -3.969 743 3HD2 LEU 34 3HD2 LEU 34 -4.267 -4.672 -4.901 744 H ARG 35 H ARG 35 -8.447 -1.122 -3.240 745 HA ARG 35 HA ARG 35 -10.572 -1.401 -1.404 746 1HB ARG 35 2HB ARG 35 -9.161 0.707 -2.764 747 2HB ARG 35 1HB ARG 35 -10.881 1.020 -2.920 748 1HG ARG 35 2HG ARG 35 -11.004 1.712 -0.787 749 2HG ARG 35 1HG ARG 35 -10.270 0.226 -0.199 750 1HD ARG 35 2HD ARG 35 -8.043 1.341 -1.096 751 2HD ARG 35 1HD ARG 35 -8.975 2.827 -0.942 752 HE ARG 35 HE ARG 35 -7.827 1.343 1.194 753 1HH1 ARG 35 1HH1 ARG 35 -8.469 4.211 1.495 754 2HH1 ARG 35 2HH1 ARG 35 -9.823 4.204 2.574 755 1HH2 ARG 35 1HH2 ARG 35 -10.527 0.849 2.082 756 2HH2 ARG 35 2HH2 ARG 35 -10.989 2.300 2.907 757 H ASP 36 H ASP 36 -10.516 -0.794 -4.873 758 HA ASP 36 HA ASP 36 -13.311 -0.671 -5.315 759 1HB ASP 36 2HB ASP 36 -11.003 -1.328 -7.164 760 2HB ASP 36 1HB ASP 36 -12.647 -0.997 -7.704 761 H ASP 37 H ASP 37 -10.962 -3.301 -5.424 762 HA ASP 37 HA ASP 37 -13.109 -5.281 -5.272 763 1HB ASP 37 2HB ASP 37 -11.065 -6.037 -7.264 764 2HB ASP 37 1HB ASP 37 -12.807 -6.279 -7.293 765 HA PRO 38 HA PRO 38 -9.684 -6.373 -2.537 766 1HB PRO 38 2HB PRO 38 -11.581 -7.815 -0.953 767 2HB PRO 38 1HB PRO 38 -10.728 -6.324 -0.568 768 1HG PRO 38 2HG PRO 38 -13.447 -6.582 -1.054 769 2HG PRO 38 1HG PRO 38 -12.525 -5.074 -1.008 770 1HD PRO 38 2HD PRO 38 -13.564 -6.553 -3.342 771 2HD PRO 38 1HD PRO 38 -13.110 -4.841 -3.194 772 H SER 39 H SER 39 -12.212 -8.404 -3.890 773 HA SER 39 HA SER 39 -11.023 -10.926 -3.348 774 1HB SER 39 2HB SER 39 -12.581 -11.779 -5.047 775 2HB SER 39 1HB SER 39 -13.406 -10.675 -3.952 776 HG SER 39 HG SER 39 -12.390 -10.108 -6.545 777 H GLN 40 H GLN 40 -10.735 -8.544 -5.907 778 HA GLN 40 HA GLN 40 -8.837 -10.234 -7.325 779 1HB GLN 40 2HB GLN 40 -9.414 -7.662 -8.558 780 2HB GLN 40 1HB GLN 40 -9.435 -9.265 -9.241 781 1HG GLN 40 2HG GLN 40 -11.655 -9.711 -8.373 782 2HG GLN 40 1HG GLN 40 -11.655 -8.192 -7.483 783 1HE2 GLN 40 1HE2 GLN 40 -10.663 -6.408 -9.391 784 2HE2 GLN 40 2HE2 GLN 40 -11.730 -6.331 -10.709 785 H SER 41 H SER 41 -8.337 -8.681 -4.725 786 HA SER 41 HA SER 41 -6.681 -6.491 -5.241 787 1HB SER 41 2HB SER 41 -6.616 -8.641 -3.099 788 2HB SER 41 1HB SER 41 -5.489 -7.292 -3.090 789 HG SER 41 HG SER 41 -7.670 -6.088 -3.420 790 H ALA 42 H ALA 42 -6.190 -9.885 -5.538 791 HA ALA 42 HA ALA 42 -3.362 -9.905 -5.934 792 1HB ALA 42 1HB ALA 42 -5.376 -11.946 -6.872 793 2HB ALA 42 2HB ALA 42 -4.852 -11.826 -5.188 794 3HB ALA 42 3HB ALA 42 -3.680 -12.209 -6.452 795 H ASN 43 H ASN 43 -6.161 -9.409 -7.944 796 HA ASN 43 HA ASN 43 -5.085 -10.035 -10.468 797 1HB ASN 43 2HB ASN 43 -7.469 -9.880 -9.823 798 2HB ASN 43 1HB ASN 43 -7.282 -8.126 -9.846 799 1HD2 ASN 43 1HD2 ASN 43 -6.876 -11.007 -11.969 800 2HD2 ASN 43 2HD2 ASN 43 -7.192 -10.169 -13.411 801 H LEU 44 H LEU 44 -5.742 -6.889 -8.952 802 HA LEU 44 HA LEU 44 -4.356 -5.570 -11.024 803 1HB LEU 44 2HB LEU 44 -4.895 -3.486 -9.966 804 2HB LEU 44 1HB LEU 44 -6.305 -4.513 -9.978 805 HG LEU 44 HG LEU 44 -5.965 -3.250 -7.904 806 1HD1 LEU 44 1HD1 LEU 44 -5.821 -5.998 -7.005 807 2HD1 LEU 44 2HD1 LEU 44 -6.977 -5.695 -8.296 808 3HD1 LEU 44 3HD1 LEU 44 -7.080 -4.774 -6.797 809 1HD2 LEU 44 1HD2 LEU 44 -3.933 -5.125 -6.963 810 2HD2 LEU 44 2HD2 LEU 44 -4.228 -3.447 -6.532 811 3HD2 LEU 44 3HD2 LEU 44 -3.396 -3.820 -8.023 812 H LEU 45 H LEU 45 -3.625 -6.971 -8.003 813 HA LEU 45 HA LEU 45 -1.093 -5.742 -7.526 814 1HB LEU 45 2HB LEU 45 -1.814 -7.018 -5.688 815 2HB LEU 45 1HB LEU 45 -2.430 -8.306 -6.708 816 HG LEU 45 HG LEU 45 -0.110 -8.956 -7.290 817 1HD1 LEU 45 1HD1 LEU 45 0.696 -6.909 -5.217 818 2HD1 LEU 45 2HD1 LEU 45 0.865 -6.677 -6.956 819 3HD1 LEU 45 3HD1 LEU 45 1.773 -7.949 -6.143 820 1HD2 LEU 45 1HD2 LEU 45 -1.266 -9.073 -4.594 821 2HD2 LEU 45 2HD2 LEU 45 0.477 -9.326 -4.621 822 3HD2 LEU 45 3HD2 LEU 45 -0.582 -10.355 -5.584 823 H ALA 46 H ALA 46 -2.461 -8.303 -9.394 824 HA ALA 46 HA ALA 46 -0.080 -9.451 -10.437 825 1HB ALA 46 1HB ALA 46 -2.244 -9.565 -12.349 826 2HB ALA 46 2HB ALA 46 -2.902 -9.843 -10.738 827 3HB ALA 46 3HB ALA 46 -1.600 -10.867 -11.351 828 H GLU 47 H GLU 47 -2.304 -6.926 -11.467 829 HA GLU 47 HA GLU 47 -1.079 -6.163 -13.873 830 1HB GLU 47 2HB GLU 47 -2.688 -4.526 -11.893 831 2HB GLU 47 1HB GLU 47 -2.228 -3.975 -13.497 832 1HG GLU 47 2HG GLU 47 -4.005 -6.313 -12.808 833 2HG GLU 47 1HG GLU 47 -4.504 -4.787 -13.511 834 H ALA 48 H ALA 48 -0.472 -5.401 -10.506 835 HA ALA 48 HA ALA 48 1.263 -3.183 -10.918 836 1HB ALA 48 1HB ALA 48 0.064 -4.629 -8.796 837 2HB ALA 48 2HB ALA 48 0.921 -3.090 -8.720 838 3HB ALA 48 3HB ALA 48 1.805 -4.605 -8.509 839 H LYS 49 H LYS 49 1.771 -6.557 -10.067 840 HA LYS 49 HA LYS 49 4.601 -6.477 -10.055 841 1HB LYS 49 2HB LYS 49 2.545 -8.644 -10.374 842 2HB LYS 49 1HB LYS 49 4.267 -9.015 -10.461 843 1HG LYS 49 2HG LYS 49 4.505 -7.852 -8.220 844 2HG LYS 49 1HG LYS 49 2.742 -7.800 -8.149 845 1HD LYS 49 2HD LYS 49 4.298 -10.367 -8.576 846 2HD LYS 49 1HD LYS 49 3.833 -9.791 -6.981 847 1HE LYS 49 2HE LYS 49 1.500 -9.656 -8.607 848 2HE LYS 49 1HE LYS 49 2.240 -11.228 -8.899 849 1HZ LYS 49 1HZ LYS 49 1.752 -10.119 -6.193 850 2HZ LYS 49 2HZ LYS 49 2.237 -11.699 -6.587 851 3HZ LYS 49 3HZ LYS 49 0.676 -11.161 -6.989 852 H LYS 50 H LYS 50 2.189 -6.865 -12.531 853 HA LYS 50 HA LYS 50 3.977 -7.490 -14.684 854 1HB LYS 50 2HB LYS 50 1.128 -6.566 -14.551 855 2HB LYS 50 1HB LYS 50 1.987 -6.689 -16.085 856 1HG LYS 50 2HG LYS 50 2.565 -9.088 -15.438 857 2HG LYS 50 1HG LYS 50 1.414 -8.927 -14.119 858 1HD LYS 50 2HD LYS 50 0.728 -8.450 -17.033 859 2HD LYS 50 1HD LYS 50 0.445 -9.971 -16.191 860 1HE LYS 50 2HE LYS 50 -0.885 -8.582 -14.476 861 2HE LYS 50 1HE LYS 50 -0.838 -7.286 -15.673 862 1HZ LYS 50 1HZ LYS 50 -1.989 -9.996 -16.012 863 2HZ LYS 50 2HZ LYS 50 -1.783 -8.891 -17.286 864 3HZ LYS 50 3HZ LYS 50 -2.825 -8.520 -15.995 865 H LEU 51 H LEU 51 2.537 -4.545 -13.361 866 HA LEU 51 HA LEU 51 3.534 -2.802 -15.393 867 1HB LEU 51 2HB LEU 51 2.118 -2.528 -12.854 868 2HB LEU 51 1HB LEU 51 3.343 -1.282 -13.057 869 HG LEU 51 HG LEU 51 1.097 -0.693 -14.003 870 1HD1 LEU 51 1HD1 LEU 51 2.763 0.654 -14.845 871 2HD1 LEU 51 2HD1 LEU 51 2.233 -0.124 -16.340 872 3HD1 LEU 51 3HD1 LEU 51 3.682 -0.706 -15.510 873 1HD2 LEU 51 1HD2 LEU 51 0.043 -2.183 -15.334 874 2HD2 LEU 51 2HD2 LEU 51 1.420 -3.280 -15.221 875 3HD2 LEU 51 3HD2 LEU 51 1.359 -2.069 -16.503 876 H ASN 52 H ASN 52 4.654 -3.949 -12.337 877 HA ASN 52 HA ASN 52 7.005 -2.437 -12.067 878 1HB ASN 52 2HB ASN 52 6.402 -3.658 -10.176 879 2HB ASN 52 1HB ASN 52 5.977 -5.084 -11.101 880 1HD2 ASN 52 1HD2 ASN 52 8.497 -3.467 -9.444 881 2HD2 ASN 52 2HD2 ASN 52 9.708 -4.621 -9.698 882 H ASP 53 H ASP 53 6.127 -5.447 -13.532 883 HA ASP 53 HA ASP 53 8.668 -6.161 -14.601 884 1HB ASP 53 2HB ASP 53 6.504 -7.602 -14.355 885 2HB ASP 53 1HB ASP 53 6.086 -6.937 -15.931 886 H ALA 54 H ALA 54 5.993 -4.212 -15.744 887 HA ALA 54 HA ALA 54 6.805 -3.872 -18.431 888 1HB ALA 54 1HB ALA 54 5.239 -1.816 -16.910 889 2HB ALA 54 2HB ALA 54 4.531 -3.390 -17.271 890 3HB ALA 54 3HB ALA 54 5.059 -2.338 -18.585 891 H GLN 55 H GLN 55 7.437 -2.058 -15.455 892 HA GLN 55 HA GLN 55 9.014 -0.057 -16.865 893 1HB GLN 55 2HB GLN 55 8.318 -0.469 -14.000 894 2HB GLN 55 1HB GLN 55 9.295 0.868 -14.571 895 1HG GLN 55 2HG GLN 55 7.508 1.872 -15.658 896 2HG GLN 55 1HG GLN 55 6.657 0.344 -15.883 897 1HE2 GLN 55 1HE2 GLN 55 6.178 -0.736 -13.563 898 2HE2 GLN 55 2HE2 GLN 55 5.452 0.324 -12.455 899 H ALA 56 H ALA 56 9.541 -3.126 -15.664 900 HA ALA 56 HA ALA 56 12.125 -2.853 -14.483 901 1HB ALA 56 1HB ALA 56 10.316 -4.988 -15.062 902 2HB ALA 56 2HB ALA 56 11.725 -5.004 -14.009 903 3HB ALA 56 3HB ALA 56 11.897 -5.408 -15.713 904 HA PRO 57 HA PRO 57 14.781 -2.619 -17.904 905 1HB PRO 57 2HB PRO 57 16.737 -4.497 -16.930 906 2HB PRO 57 1HB PRO 57 16.729 -2.737 -16.769 907 1HG PRO 57 2HG PRO 57 16.432 -4.501 -14.698 908 2HG PRO 57 1HG PRO 57 15.904 -2.813 -14.684 909 1HD PRO 57 2HD PRO 57 14.286 -5.290 -15.138 910 2HD PRO 57 1HD PRO 57 13.866 -3.805 -14.249 911 H LYS 58 H LYS 58 12.744 -4.453 -18.402 912 HA LYS 58 HA LYS 58 13.721 -6.890 -19.516 913 1HB LYS 58 2HB LYS 58 11.154 -5.546 -20.229 914 2HB LYS 58 1HB LYS 58 11.519 -7.255 -20.283 915 1HG LYS 58 2HG LYS 58 11.161 -5.524 -17.825 916 2HG LYS 58 1HG LYS 58 10.179 -6.900 -18.321 917 1HD LYS 58 2HD LYS 58 12.433 -8.239 -18.155 918 2HD LYS 58 1HD LYS 58 12.958 -6.881 -17.157 919 1HE LYS 58 2HE LYS 58 12.041 -8.224 -15.512 920 2HE LYS 58 1HE LYS 58 10.599 -7.319 -15.972 921 1HZ LYS 58 1HZ LYS 58 11.384 -10.050 -16.784 922 2HZ LYS 58 2HZ LYS 58 10.227 -9.159 -17.652 923 3HZ LYS 58 3HZ LYS 58 9.956 -9.546 -16.019 Start of MODEL 8 1 1H VAL 1 1HT VAL 1 11.508 -10.755 9.286 2 2H VAL 1 2HT VAL 1 12.218 -11.567 10.598 3 3H VAL 1 3HT VAL 1 10.762 -12.134 9.932 4 HA VAL 1 HA VAL 1 13.267 -11.973 8.365 5 HB VAL 1 HB VAL 1 13.423 -14.464 8.787 6 1HG1 VAL 1 1HG1 VAL 1 14.544 -14.221 10.940 7 2HG1 VAL 1 2HG1 VAL 1 13.667 -12.726 11.265 8 3HG1 VAL 1 3HG1 VAL 1 14.854 -12.787 9.962 9 1HG2 VAL 1 1HG2 VAL 1 12.299 -15.298 10.870 10 2HG2 VAL 1 2HG2 VAL 1 11.156 -14.896 9.591 11 3HG2 VAL 1 3HG2 VAL 1 11.386 -13.791 10.946 12 H ASP 2 H ASP 2 9.994 -13.169 8.896 13 HA ASP 2 HA ASP 2 9.753 -14.341 6.260 14 1HB ASP 2 2HB ASP 2 7.497 -14.881 6.924 15 2HB ASP 2 1HB ASP 2 8.560 -15.211 8.288 16 H ASN 3 H ASN 3 7.148 -13.520 5.588 17 HA ASN 3 HA ASN 3 7.718 -10.984 4.308 18 1HB ASN 3 2HB ASN 3 5.287 -12.787 4.179 19 2HB ASN 3 1HB ASN 3 5.546 -11.366 3.170 20 1HD2 ASN 3 1HD2 ASN 3 8.141 -11.544 2.331 21 2HD2 ASN 3 2HD2 ASN 3 8.427 -13.008 1.520 22 H LYS 4 H LYS 4 7.070 -11.315 7.347 23 HA LYS 4 HA LYS 4 4.622 -10.097 7.936 24 1HB LYS 4 2HB LYS 4 6.139 -11.123 9.627 25 2HB LYS 4 1HB LYS 4 7.230 -9.752 9.448 26 1HG LYS 4 2HG LYS 4 5.920 -9.189 11.331 27 2HG LYS 4 1HG LYS 4 5.148 -8.301 10.020 28 1HD LYS 4 2HD LYS 4 3.471 -10.075 9.766 29 2HD LYS 4 1HD LYS 4 4.270 -11.027 11.017 30 1HE LYS 4 2HE LYS 4 2.469 -9.940 12.130 31 2HE LYS 4 1HE LYS 4 3.899 -9.004 12.565 32 1HZ LYS 4 1HZ LYS 4 2.753 -8.078 10.132 33 2HZ LYS 4 2HZ LYS 4 3.079 -7.221 11.562 34 3HZ LYS 4 3HZ LYS 4 1.608 -8.053 11.383 35 H PHE 5 H PHE 5 7.786 -8.624 7.269 36 HA PHE 5 HA PHE 5 7.049 -5.953 7.637 37 1HB PHE 5 2HB PHE 5 9.097 -5.374 6.613 38 2HB PHE 5 1HB PHE 5 9.414 -6.925 7.385 39 HD1 PHE 5 1HD PHE 5 9.335 -5.105 4.260 40 HD2 PHE 5 2HD PHE 5 9.267 -9.047 5.967 41 HE1 PHE 5 1HE PHE 5 9.968 -6.067 2.068 42 HE2 PHE 5 2HE PHE 5 9.900 -10.010 3.772 43 HZ PHE 5 HZ PHE 5 10.249 -8.520 1.821 44 H ASN 6 H ASN 6 6.882 -8.103 4.820 45 HA ASN 6 HA ASN 6 6.067 -6.168 2.910 46 1HB ASN 6 2HB ASN 6 6.915 -8.513 2.464 47 2HB ASN 6 1HB ASN 6 5.335 -9.096 2.969 48 1HD2 ASN 6 1HD2 ASN 6 5.434 -9.925 0.634 49 2HD2 ASN 6 2HD2 ASN 6 4.831 -8.889 -0.571 50 H LYS 7 H LYS 7 4.353 -8.395 5.036 51 HA LYS 7 HA LYS 7 1.720 -7.854 4.228 52 1HB LYS 7 2HB LYS 7 2.532 -9.773 5.678 53 2HB LYS 7 1HB LYS 7 2.693 -8.625 7.002 54 1HG LYS 7 2HG LYS 7 0.344 -8.201 7.054 55 2HG LYS 7 1HG LYS 7 0.095 -9.003 5.512 56 1HD LYS 7 2HD LYS 7 1.292 -10.587 7.751 57 2HD LYS 7 1HD LYS 7 -0.439 -10.258 7.786 58 1HE LYS 7 2HE LYS 7 -0.575 -11.181 5.414 59 2HE LYS 7 1HE LYS 7 1.110 -11.686 5.597 60 1HZ LYS 7 1HZ LYS 7 0.219 -12.749 7.775 61 2HZ LYS 7 2HZ LYS 7 0.001 -13.544 6.289 62 3HZ LYS 7 3HZ LYS 7 -1.281 -12.673 6.987 63 H GLU 8 H GLU 8 3.852 -6.489 6.659 64 HA GLU 8 HA GLU 8 1.969 -4.575 7.589 65 1HB GLU 8 2HB GLU 8 4.949 -4.904 7.960 66 2HB GLU 8 1HB GLU 8 4.021 -3.601 8.722 67 1HG GLU 8 2HG GLU 8 2.641 -5.181 9.918 68 2HG GLU 8 1HG GLU 8 3.322 -6.535 9.026 69 H LEU 9 H LEU 9 4.553 -4.539 5.245 70 HA LEU 9 HA LEU 9 4.707 -1.743 4.696 71 1HB LEU 9 2HB LEU 9 6.415 -3.238 3.840 72 2HB LEU 9 1HB LEU 9 5.217 -4.189 2.969 73 HG LEU 9 HG LEU 9 4.661 -1.995 1.710 74 1HD1 LEU 9 1HD1 LEU 9 5.870 -0.164 2.054 75 2HD1 LEU 9 2HD1 LEU 9 7.375 -1.027 1.910 76 3HD1 LEU 9 3HD1 LEU 9 6.573 -0.922 3.484 77 1HD2 LEU 9 1HD2 LEU 9 5.787 -3.836 0.646 78 2HD2 LEU 9 2HD2 LEU 9 7.322 -3.365 1.369 79 3HD2 LEU 9 3HD2 LEU 9 6.555 -2.325 0.168 80 H GLY 10 H GLY 10 2.677 -4.350 3.454 81 1HA GLY 10 2HA GLY 10 1.283 -2.682 1.652 82 2HA GLY 10 1HA GLY 10 0.820 -4.288 2.163 83 H TRP 11 H TRP 11 0.755 -3.888 4.935 84 HA TRP 11 HA TRP 11 -1.795 -2.755 5.089 85 1HB TRP 11 2HB TRP 11 -0.637 -4.628 6.567 86 2HB TRP 11 1HB TRP 11 -0.465 -3.224 7.634 87 HD1 TRP 11 HD TRP 11 -2.340 -3.878 9.274 88 HE1 TRP 11 1HE TRP 11 -4.913 -3.998 9.130 89 HE3 TRP 11 3HE TRP 11 -3.023 -3.515 4.207 90 HZ2 TRP 11 2HZ TRP 11 -6.962 -3.887 7.157 91 HZ3 TRP 11 3HZ TRP 11 -5.233 -3.483 3.231 92 HH2 TRP 11 HH TRP 11 -7.251 -3.691 4.694 93 H ALA 12 H ALA 12 1.212 -1.611 6.423 94 HA ALA 12 HA ALA 12 0.065 0.583 7.660 95 1HB ALA 12 1HB ALA 12 2.780 -0.073 6.603 96 2HB ALA 12 2HB ALA 12 2.288 0.323 8.245 97 3HB ALA 12 3HB ALA 12 2.458 1.604 7.041 98 H THR 13 H THR 13 1.079 -0.011 4.334 99 HA THR 13 HA THR 13 0.731 2.525 3.162 100 HB THR 13 HB THR 13 0.427 -0.286 2.183 101 HG1 THR 13 1HG THR 13 2.467 0.031 2.180 102 1HG2 THR 13 1HG2 THR 13 -0.026 2.292 0.705 103 2HG2 THR 13 2HG2 THR 13 -1.021 0.834 0.706 104 3HG2 THR 13 3HG2 THR 13 0.535 0.839 -0.121 105 H TRP 14 H TRP 14 -1.564 -0.134 3.665 106 HA TRP 14 HA TRP 14 -3.837 1.135 2.542 107 1HB TRP 14 2HB TRP 14 -3.498 -1.323 3.080 108 2HB TRP 14 1HB TRP 14 -3.844 -0.915 4.746 109 HD1 TRP 14 HD TRP 14 -6.294 -0.608 5.436 110 HE1 TRP 14 1HE TRP 14 -8.544 -0.820 4.212 111 HE3 TRP 14 3HE TRP 14 -4.678 -0.731 0.577 112 HZ2 TRP 14 2HZ TRP 14 -9.516 -1.026 1.541 113 HZ3 TRP 14 3HZ TRP 14 -6.270 -0.946 -1.240 114 HH2 TRP 14 HH TRP 14 -8.661 -1.099 -0.776 115 H GLU 15 H GLU 15 -2.709 0.805 5.890 116 HA GLU 15 HA GLU 15 -4.886 2.071 7.130 117 1HB GLU 15 2HB GLU 15 -1.988 1.815 7.970 118 2HB GLU 15 1HB GLU 15 -3.287 2.366 9.032 119 1HG GLU 15 2HG GLU 15 -4.439 0.257 8.870 120 2HG GLU 15 1HG GLU 15 -3.404 -0.291 7.554 121 H ILE 16 H ILE 16 -1.911 3.327 5.728 122 HA ILE 16 HA ILE 16 -2.324 6.083 6.479 123 HB ILE 16 HB ILE 16 -0.631 4.769 4.301 124 1HG1 ILE 16 2HG1 ILE 16 0.207 5.940 6.952 125 2HG1 ILE 16 1HG1 ILE 16 -0.069 4.242 6.712 126 1HG2 ILE 16 1HG2 ILE 16 0.506 7.232 4.991 127 2HG2 ILE 16 2HG2 ILE 16 -1.213 7.578 4.805 128 3HG2 ILE 16 3HG2 ILE 16 -0.311 6.841 3.483 129 1HD1 ILE 16 1HD1 ILE 16 1.966 3.969 5.754 130 2HD1 ILE 16 2HD1 ILE 16 2.339 5.608 6.273 131 3HD1 ILE 16 3HD1 ILE 16 1.697 5.324 4.650 132 H PHE 17 H PHE 17 -3.093 3.978 3.796 133 HA PHE 17 HA PHE 17 -4.107 5.821 1.897 134 1HB PHE 17 2HB PHE 17 -3.526 3.203 1.883 135 2HB PHE 17 1HB PHE 17 -5.242 3.073 2.156 136 HD1 PHE 17 1HD PHE 17 -2.637 4.350 -0.170 137 HD2 PHE 17 2HD PHE 17 -6.798 3.484 0.421 138 HE1 PHE 17 1HE PHE 17 -3.014 4.531 -2.608 139 HE2 PHE 17 2HE PHE 17 -7.193 3.680 -2.009 140 HZ PHE 17 HZ PHE 17 -5.297 4.193 -3.517 141 H ASN 18 H ASN 18 -5.543 4.037 4.572 142 HA ASN 18 HA ASN 18 -8.235 5.013 4.022 143 1HB ASN 18 2HB ASN 18 -7.105 3.076 6.047 144 2HB ASN 18 1HB ASN 18 -8.800 3.552 6.011 145 1HD2 ASN 18 1HD2 ASN 18 -6.436 2.635 3.426 146 2HD2 ASN 18 2HD2 ASN 18 -7.454 1.477 2.720 147 H LEU 19 H LEU 19 -5.703 6.522 5.494 148 HA LEU 19 HA LEU 19 -6.870 7.235 7.980 149 1HB LEU 19 2HB LEU 19 -4.544 8.129 6.426 150 2HB LEU 19 1HB LEU 19 -5.232 9.350 7.492 151 HG LEU 19 HG LEU 19 -4.420 6.545 8.349 152 1HD1 LEU 19 1HD1 LEU 19 -2.687 7.869 9.630 153 2HD1 LEU 19 2HD1 LEU 19 -3.147 9.246 8.639 154 3HD1 LEU 19 3HD1 LEU 19 -2.465 7.811 7.885 155 1HD2 LEU 19 1HD2 LEU 19 -4.619 8.436 10.495 156 2HD2 LEU 19 2HD2 LEU 19 -5.554 6.958 10.247 157 3HD2 LEU 19 3HD2 LEU 19 -6.120 8.480 9.582 158 HA PRO 20 HA PRO 20 -9.914 9.970 6.308 159 1HB PRO 20 2HB PRO 20 -10.492 10.995 8.948 160 2HB PRO 20 1HB PRO 20 -11.410 9.826 7.988 161 1HG PRO 20 2HG PRO 20 -10.087 9.246 10.297 162 2HG PRO 20 1HG PRO 20 -10.453 8.061 9.030 163 1HD PRO 20 2HD PRO 20 -7.891 9.502 9.577 164 2HD PRO 20 1HD PRO 20 -8.153 7.820 9.100 165 H ASN 21 H ASN 21 -6.940 11.251 7.114 166 HA ASN 21 HA ASN 21 -8.031 13.958 6.561 167 1HB ASN 21 2HB ASN 21 -6.218 13.431 8.907 168 2HB ASN 21 1HB ASN 21 -6.694 15.012 8.328 169 1HD2 ASN 21 1HD2 ASN 21 -7.548 12.570 10.519 170 2HD2 ASN 21 2HD2 ASN 21 -9.143 13.069 10.820 171 H LEU 22 H LEU 22 -5.708 11.687 5.836 172 HA LEU 22 HA LEU 22 -3.566 13.541 5.206 173 1HB LEU 22 2HB LEU 22 -3.951 10.662 4.372 174 2HB LEU 22 1HB LEU 22 -2.468 11.604 4.194 175 HG LEU 22 HG LEU 22 -3.837 10.986 6.825 176 1HD1 LEU 22 1HD1 LEU 22 -2.867 8.980 6.052 177 2HD1 LEU 22 2HD1 LEU 22 -1.684 9.668 7.159 178 3HD1 LEU 22 3HD1 LEU 22 -1.449 9.806 5.419 179 1HD2 LEU 22 1HD2 LEU 22 -1.485 12.649 6.023 180 2HD2 LEU 22 2HD2 LEU 22 -1.383 11.735 7.524 181 3HD2 LEU 22 3HD2 LEU 22 -2.666 12.928 7.310 182 H ASN 23 H ASN 23 -2.865 14.159 3.135 183 HA ASN 23 HA ASN 23 -5.041 14.162 1.149 184 1HB ASN 23 2HB ASN 23 -3.962 16.024 0.107 185 2HB ASN 23 1HB ASN 23 -3.985 16.343 1.836 186 1HD2 ASN 23 1HD2 ASN 23 -2.096 17.420 -0.213 187 2HD2 ASN 23 2HD2 ASN 23 -0.549 16.957 0.306 188 H GLY 24 H GLY 24 -4.379 13.906 -1.146 189 1HA GLY 24 2HA GLY 24 -3.420 11.400 -1.687 190 2HA GLY 24 1HA GLY 24 -3.391 12.716 -2.853 191 H VAL 25 H VAL 25 -1.510 14.359 -1.328 192 HA VAL 25 HA VAL 25 0.917 13.200 -2.325 193 HB VAL 25 HB VAL 25 0.422 15.709 -0.727 194 1HG1 VAL 25 1HG1 VAL 25 2.903 14.502 -1.953 195 2HG1 VAL 25 2HG1 VAL 25 2.706 15.213 -0.349 196 3HG1 VAL 25 3HG1 VAL 25 2.747 16.251 -1.774 197 1HG2 VAL 25 1HG2 VAL 25 -0.601 15.904 -2.869 198 2HG2 VAL 25 2HG2 VAL 25 0.707 15.018 -3.658 199 3HG2 VAL 25 3HG2 VAL 25 0.981 16.662 -3.069 200 H GLN 26 H GLN 26 -0.215 13.948 1.029 201 HA GLN 26 HA GLN 26 2.118 12.995 2.259 202 1HB GLN 26 2HB GLN 26 -0.636 13.583 3.156 203 2HB GLN 26 1HB GLN 26 0.328 12.535 4.187 204 1HG GLN 26 2HG GLN 26 1.825 14.185 4.736 205 2HG GLN 26 1HG GLN 26 1.726 14.944 3.142 206 1HE2 GLN 26 1HE2 GLN 26 -0.268 14.424 6.050 207 2HE2 GLN 26 2HE2 GLN 26 -1.045 15.928 5.977 208 H VAL 27 H VAL 27 -0.904 11.337 1.429 209 HA VAL 27 HA VAL 27 -0.196 8.825 2.545 210 HB VAL 27 HB VAL 27 -1.994 9.400 0.167 211 1HG1 VAL 27 1HG1 VAL 27 -1.779 7.000 2.016 212 2HG1 VAL 27 2HG1 VAL 27 -1.308 7.036 0.316 213 3HG1 VAL 27 3HG1 VAL 27 -3.003 7.212 0.763 214 1HG2 VAL 27 1HG2 VAL 27 -2.741 10.598 2.174 215 2HG2 VAL 27 2HG2 VAL 27 -2.587 9.131 3.137 216 3HG2 VAL 27 3HG2 VAL 27 -3.813 9.234 1.874 217 H LYS 28 H LYS 28 0.229 10.251 -0.654 218 HA LYS 28 HA LYS 28 1.471 8.056 -1.926 219 1HB LYS 28 2HB LYS 28 0.525 10.050 -3.103 220 2HB LYS 28 1HB LYS 28 1.851 11.029 -2.481 221 1HG LYS 28 2HG LYS 28 3.438 9.431 -3.638 222 2HG LYS 28 1HG LYS 28 2.028 8.662 -4.371 223 1HD LYS 28 2HD LYS 28 1.374 10.805 -5.395 224 2HD LYS 28 1HD LYS 28 2.766 11.594 -4.655 225 1HE LYS 28 2HE LYS 28 2.967 9.260 -6.585 226 2HE LYS 28 1HE LYS 28 3.140 10.950 -7.054 227 1HZ LYS 28 1HZ LYS 28 4.766 10.403 -4.810 228 2HZ LYS 28 2HZ LYS 28 5.225 10.942 -6.355 229 3HZ LYS 28 3HZ LYS 28 5.100 9.278 -6.034 230 H ALA 29 H ALA 29 2.688 10.650 0.097 231 HA ALA 29 HA ALA 29 5.453 10.181 -0.329 232 1HB ALA 29 1HB ALA 29 5.814 11.704 1.446 233 2HB ALA 29 2HB ALA 29 4.199 11.423 2.096 234 3HB ALA 29 3HB ALA 29 4.400 12.295 0.575 235 H PHE 30 H PHE 30 3.133 9.220 2.147 236 HA PHE 30 HA PHE 30 4.972 7.873 3.758 237 1HB PHE 30 2HB PHE 30 1.996 7.486 3.439 238 2HB PHE 30 1HB PHE 30 2.981 6.775 4.713 239 HD1 PHE 30 1HD PHE 30 0.644 9.187 4.430 240 HD2 PHE 30 2HD PHE 30 4.815 8.898 5.534 241 HE1 PHE 30 1HE PHE 30 0.452 11.237 5.777 242 HE2 PHE 30 2HE PHE 30 4.589 10.967 6.846 243 HZ PHE 30 HZ PHE 30 2.415 12.121 6.967 244 H ILE 31 H ILE 31 3.033 7.017 0.945 245 HA ILE 31 HA ILE 31 3.678 4.256 0.949 246 HB ILE 31 HB ILE 31 2.706 6.143 -1.181 247 1HG1 ILE 31 2HG1 ILE 31 1.597 3.548 -0.052 248 2HG1 ILE 31 1HG1 ILE 31 1.146 5.151 0.514 249 1HG2 ILE 31 1HG2 ILE 31 3.905 3.387 -1.577 250 2HG2 ILE 31 2HG2 ILE 31 4.103 4.828 -2.567 251 3HG2 ILE 31 3HG2 ILE 31 2.589 3.929 -2.615 252 1HD1 ILE 31 1HD1 ILE 31 -0.493 4.218 -1.110 253 2HD1 ILE 31 2HD1 ILE 31 0.784 4.157 -2.326 254 3HD1 ILE 31 3HD1 ILE 31 0.250 5.712 -1.687 255 H ASP 32 H ASP 32 5.059 7.078 -0.659 256 HA ASP 32 HA ASP 32 7.116 5.785 -2.007 257 1HB ASP 32 2HB ASP 32 6.695 8.574 -1.020 258 2HB ASP 32 1HB ASP 32 8.305 8.132 -1.587 259 H SER 33 H SER 33 7.028 7.049 1.236 260 HA SER 33 HA SER 33 9.731 6.486 1.925 261 1HB SER 33 2HB SER 33 7.268 6.803 3.669 262 2HB SER 33 1HB SER 33 8.940 6.811 4.241 263 HG SER 33 HG SER 33 7.777 8.597 2.362 264 H LEU 34 H LEU 34 6.717 4.734 2.077 265 HA LEU 34 HA LEU 34 7.468 2.433 3.591 266 1HB LEU 34 2HB LEU 34 5.304 3.340 1.814 267 2HB LEU 34 1HB LEU 34 5.577 1.630 1.798 268 HG LEU 34 HG LEU 34 5.584 2.681 4.487 269 1HD1 LEU 34 1HD1 LEU 34 3.903 4.202 4.105 270 2HD1 LEU 34 2HD1 LEU 34 2.908 2.755 4.222 271 3HD1 LEU 34 3HD1 LEU 34 3.364 3.383 2.644 272 1HD2 LEU 34 1HD2 LEU 34 5.406 0.380 4.169 273 2HD2 LEU 34 2HD2 LEU 34 4.212 0.538 2.902 274 3HD2 LEU 34 3HD2 LEU 34 3.768 0.852 4.583 275 H ARG 35 H ARG 35 7.248 2.946 0.080 276 HA ARG 35 HA ARG 35 8.364 0.437 -0.671 277 1HB ARG 35 2HB ARG 35 9.066 2.514 -2.584 278 2HB ARG 35 1HB ARG 35 7.982 1.141 -2.780 279 1HG ARG 35 2HG ARG 35 6.245 2.469 -1.522 280 2HG ARG 35 1HG ARG 35 7.339 3.836 -1.615 281 1HD ARG 35 2HD ARG 35 5.416 2.990 -3.527 282 2HD ARG 35 1HD ARG 35 6.502 4.367 -3.607 283 HE ARG 35 HE ARG 35 7.986 3.072 -4.892 284 1HH1 ARG 35 1HH2 ARG 35 6.041 0.800 -3.385 285 2HH1 ARG 35 2HH2 ARG 35 5.863 -0.234 -4.768 286 1HH2 ARG 35 1HH1 ARG 35 7.383 1.990 -6.936 287 2HH2 ARG 35 2HH1 ARG 35 6.632 0.438 -6.773 288 H ASP 36 H ASP 36 9.798 3.631 -0.214 289 HA ASP 36 HA ASP 36 12.459 3.007 -0.892 290 1HB ASP 36 2HB ASP 36 11.497 5.308 -0.663 291 2HB ASP 36 1HB ASP 36 11.531 5.065 1.071 292 H ASP 37 H ASP 37 10.600 2.743 2.032 293 HA ASP 37 HA ASP 37 12.599 1.000 3.217 294 1HB ASP 37 2HB ASP 37 13.142 3.410 3.912 295 2HB ASP 37 1HB ASP 37 11.640 3.370 4.827 296 HA PRO 38 HA PRO 38 8.410 -0.456 3.991 297 1HB PRO 38 2HB PRO 38 9.482 -3.108 4.034 298 2HB PRO 38 1HB PRO 38 8.441 -2.358 2.834 299 1HG PRO 38 2HG PRO 38 11.080 -3.093 2.468 300 2HG PRO 38 1HG PRO 38 10.145 -2.007 1.431 301 1HD PRO 38 2HD PRO 38 12.217 -1.352 3.444 302 2HD PRO 38 1HD PRO 38 11.692 -0.438 2.012 303 H SER 39 H SER 39 11.388 -1.303 5.631 304 HA SER 39 HA SER 39 10.255 -2.549 7.912 305 1HB SER 39 2HB SER 39 12.813 -0.921 7.784 306 2HB SER 39 1HB SER 39 12.398 -2.142 8.982 307 HG SER 39 HG SER 39 12.887 -2.478 6.209 308 H GLN 40 H GLN 40 10.735 0.707 6.862 309 HA GLN 40 HA GLN 40 10.061 1.959 9.377 310 1HB GLN 40 2HB GLN 40 11.691 2.835 7.609 311 2HB GLN 40 1HB GLN 40 10.271 3.257 6.659 312 1HG GLN 40 2HG GLN 40 9.467 4.696 8.488 313 2HG GLN 40 1HG GLN 40 10.866 4.255 9.463 314 1HE2 GLN 40 1HE2 GLN 40 12.256 4.345 6.517 315 2HE2 GLN 40 2HE2 GLN 40 12.653 5.991 6.410 316 H SER 41 H SER 41 8.232 0.431 7.050 317 HA SER 41 HA SER 41 6.167 2.070 6.308 318 1HB SER 41 2HB SER 41 4.799 0.045 6.192 319 2HB SER 41 1HB SER 41 6.433 -0.308 5.655 320 HG SER 41 HG SER 41 6.797 -1.425 7.457 321 H ALA 42 H ALA 42 6.575 0.481 9.443 322 HA ALA 42 HA ALA 42 4.030 1.087 10.542 323 1HB ALA 42 1HB ALA 42 5.668 -0.581 11.443 324 2HB ALA 42 2HB ALA 42 5.080 0.554 12.661 325 3HB ALA 42 3HB ALA 42 6.683 0.773 11.950 326 H ASN 43 H ASN 43 7.123 2.674 10.443 327 HA ASN 43 HA ASN 43 6.584 4.789 12.219 328 1HB ASN 43 2HB ASN 43 8.641 4.004 10.253 329 2HB ASN 43 1HB ASN 43 8.567 5.723 10.652 330 1HD2 ASN 43 1HD2 ASN 43 9.899 2.773 11.642 331 2HD2 ASN 43 2HD2 ASN 43 10.289 3.194 13.239 332 H LEU 44 H LEU 44 6.232 4.327 8.806 333 HA LEU 44 HA LEU 44 5.655 7.031 8.092 334 1HB LEU 44 2HB LEU 44 5.153 4.405 6.653 335 2HB LEU 44 1HB LEU 44 5.200 6.018 5.911 336 HG LEU 44 HG LEU 44 7.477 4.959 7.569 337 1HD1 LEU 44 1HD1 LEU 44 6.855 4.421 4.738 338 2HD1 LEU 44 2HD1 LEU 44 7.673 3.426 5.945 339 3HD1 LEU 44 3HD1 LEU 44 8.531 4.757 5.177 340 1HD2 LEU 44 1HD2 LEU 44 8.674 6.711 6.254 341 2HD2 LEU 44 2HD2 LEU 44 7.464 7.278 7.408 342 3HD2 LEU 44 3HD2 LEU 44 7.086 7.230 5.688 343 H LEU 45 H LEU 45 3.971 4.174 8.864 344 HA LEU 45 HA LEU 45 1.307 5.083 8.436 345 1HB LEU 45 2HB LEU 45 1.599 2.734 8.656 346 2HB LEU 45 1HB LEU 45 2.550 2.908 10.125 347 HG LEU 45 HG LEU 45 0.560 3.683 11.343 348 1HD1 LEU 45 1HD1 LEU 45 -1.678 3.379 10.099 349 2HD1 LEU 45 2HD1 LEU 45 -0.723 3.441 8.621 350 3HD1 LEU 45 3HD1 LEU 45 -0.736 4.819 9.720 351 1HD2 LEU 45 1HD2 LEU 45 -0.702 1.553 11.271 352 2HD2 LEU 45 2HD2 LEU 45 1.041 1.287 11.260 353 3HD2 LEU 45 3HD2 LEU 45 0.116 1.130 9.765 354 H ALA 46 H ALA 46 3.620 5.177 11.013 355 HA ALA 46 HA ALA 46 2.021 6.282 13.049 356 1HB ALA 46 1HB ALA 46 4.937 6.904 12.796 357 2HB ALA 46 2HB ALA 46 4.440 5.241 13.119 358 3HB ALA 46 3HB ALA 46 4.010 6.524 14.250 359 H GLU 47 H GLU 47 4.203 7.615 10.678 360 HA GLU 47 HA GLU 47 4.004 10.325 11.333 361 1HB GLU 47 2HB GLU 47 4.701 8.739 8.897 362 2HB GLU 47 1HB GLU 47 4.603 10.497 8.803 363 1HG GLU 47 2HG GLU 47 6.467 8.805 10.457 364 2HG GLU 47 1HG GLU 47 6.874 9.954 9.188 365 H ALA 48 H ALA 48 2.174 8.180 9.285 366 HA ALA 48 HA ALA 48 0.576 10.142 8.049 367 1HB ALA 48 1HB ALA 48 1.058 7.465 7.775 368 2HB ALA 48 2HB ALA 48 -0.206 8.349 6.932 369 3HB ALA 48 3HB ALA 48 -0.572 7.478 8.420 370 H LYS 49 H LYS 49 0.109 7.969 10.807 371 HA LYS 49 HA LYS 49 -2.484 8.838 11.511 372 1HB LYS 49 2HB LYS 49 -0.243 7.697 13.212 373 2HB LYS 49 1HB LYS 49 -1.887 7.956 13.793 374 1HG LYS 49 2HG LYS 49 -1.393 6.342 11.293 375 2HG LYS 49 1HG LYS 49 -1.241 5.593 12.879 376 1HD LYS 49 2HD LYS 49 -3.537 6.122 13.423 377 2HD LYS 49 1HD LYS 49 -3.706 7.113 11.976 378 1HE LYS 49 2HE LYS 49 -4.743 4.908 11.631 379 2HE LYS 49 1HE LYS 49 -3.355 5.108 10.563 380 1HZ LYS 49 1HZ LYS 49 -2.011 3.845 12.100 381 2HZ LYS 49 2HZ LYS 49 -3.379 2.939 11.659 382 3HZ LYS 49 3HZ LYS 49 -3.312 3.697 13.178 383 H LYS 50 H LYS 50 0.734 10.113 12.021 384 HA LYS 50 HA LYS 50 -0.045 12.064 13.949 385 1HB LYS 50 2HB LYS 50 2.438 11.576 12.328 386 2HB LYS 50 1HB LYS 50 2.260 13.030 13.308 387 1HG LYS 50 2HG LYS 50 2.150 11.800 15.328 388 2HG LYS 50 1HG LYS 50 1.792 10.290 14.492 389 1HD LYS 50 2HD LYS 50 4.133 10.336 15.291 390 2HD LYS 50 1HD LYS 50 4.064 10.265 13.533 391 1HE LYS 50 2HE LYS 50 4.595 12.587 13.322 392 2HE LYS 50 1HE LYS 50 4.321 12.878 15.040 393 1HZ LYS 50 1HZ LYS 50 6.639 12.743 14.744 394 2HZ LYS 50 2HZ LYS 50 6.523 11.350 13.779 395 3HZ LYS 50 3HZ LYS 50 6.184 11.265 15.442 396 H LEU 51 H LEU 51 0.511 11.997 10.501 397 HA LEU 51 HA LEU 51 0.108 14.775 10.102 398 1HB LEU 51 2HB LEU 51 0.431 12.392 8.368 399 2HB LEU 51 1HB LEU 51 -0.464 13.739 7.676 400 HG LEU 51 HG LEU 51 1.863 14.003 7.112 401 1HD1 LEU 51 1HD1 LEU 51 2.012 16.233 7.587 402 2HD1 LEU 51 2HD1 LEU 51 1.667 16.005 9.301 403 3HD1 LEU 51 3HD1 LEU 51 0.354 15.970 8.124 404 1HD2 LEU 51 1HD2 LEU 51 2.260 13.442 10.033 405 2HD2 LEU 51 2HD2 LEU 51 3.423 14.474 9.201 406 3HD2 LEU 51 3HD2 LEU 51 3.156 12.827 8.644 407 H ASN 52 H ASN 52 -1.896 11.921 9.853 408 HA ASN 52 HA ASN 52 -4.255 13.149 8.940 409 1HB ASN 52 2HB ASN 52 -4.132 10.809 8.772 410 2HB ASN 52 1HB ASN 52 -3.671 10.609 10.456 411 1HD2 ASN 52 1HD2 ASN 52 -5.374 10.421 11.992 412 2HD2 ASN 52 2HD2 ASN 52 -7.015 10.492 11.566 413 H ASP 53 H ASP 53 -2.999 12.346 12.150 414 HA ASP 53 HA ASP 53 -5.193 13.306 13.612 415 1HB ASP 53 2HB ASP 53 -3.621 11.890 14.723 416 2HB ASP 53 1HB ASP 53 -2.295 12.998 14.382 417 H ALA 54 H ALA 54 -2.225 14.835 12.502 418 HA ALA 54 HA ALA 54 -2.581 17.343 13.723 419 1HB ALA 54 1HB ALA 54 -0.425 16.843 12.860 420 2HB ALA 54 2HB ALA 54 -1.059 18.109 11.808 421 3HB ALA 54 3HB ALA 54 -1.075 16.428 11.275 422 H GLN 55 H GLN 55 -3.651 15.943 10.670 423 HA GLN 55 HA GLN 55 -4.967 18.404 9.812 424 1HB GLN 55 2HB GLN 55 -4.688 15.634 8.645 425 2HB GLN 55 1HB GLN 55 -5.664 16.899 7.885 426 1HG GLN 55 2HG GLN 55 -3.751 18.323 7.601 427 2HG GLN 55 1HG GLN 55 -2.750 17.293 8.623 428 1HE2 GLN 55 1HE2 GLN 55 -2.827 14.841 7.735 429 2HE2 GLN 55 2HE2 GLN 55 -2.540 14.707 6.068 430 H ALA 56 H ALA 56 -5.705 15.998 11.970 431 HA ALA 56 HA ALA 56 -8.476 15.556 11.311 432 1HB ALA 56 1HB ALA 56 -8.594 14.336 13.391 433 2HB ALA 56 2HB ALA 56 -7.095 15.062 13.961 434 3HB ALA 56 3HB ALA 56 -7.065 13.923 12.619 435 HA PRO 57 HA PRO 57 -10.505 19.149 12.743 436 1HB PRO 57 2HB PRO 57 -12.382 17.720 14.365 437 2HB PRO 57 1HB PRO 57 -12.600 18.348 12.727 438 1HG PRO 57 2HG PRO 57 -11.903 15.658 13.622 439 2HG PRO 57 1HG PRO 57 -12.794 16.185 12.187 440 1HD PRO 57 2HD PRO 57 -10.308 15.273 11.964 441 2HD PRO 57 1HD PRO 57 -10.846 16.673 11.005 442 H LYS 58 H LYS 58 -9.638 20.346 14.129 443 HA LYS 58 HA LYS 58 -9.581 19.735 16.990 444 1HB LYS 58 2HB LYS 58 -7.199 20.420 15.332 445 2HB LYS 58 1HB LYS 58 -7.224 20.719 17.062 446 1HG LYS 58 2HG LYS 58 -7.677 18.336 17.478 447 2HG LYS 58 1HG LYS 58 -7.702 18.023 15.745 448 1HD LYS 58 2HD LYS 58 -5.354 18.809 15.582 449 2HD LYS 58 1HD LYS 58 -5.329 19.046 17.330 450 1HE LYS 58 2HE LYS 58 -5.541 16.715 17.758 451 2HE LYS 58 1HE LYS 58 -6.034 16.374 16.099 452 1HZ LYS 58 1HZ LYS 58 -3.621 15.904 16.803 453 2HZ LYS 58 2HZ LYS 58 -3.404 17.583 16.649 454 3HZ LYS 58 3HZ LYS 58 -3.903 16.661 15.311 455 1H VAL 1 1HT VAL 1 -12.694 -7.473 6.619 456 2H VAL 1 2HT VAL 1 -12.252 -5.851 6.861 457 3H VAL 1 3HT VAL 1 -11.174 -6.923 6.104 458 HA VAL 1 HA VAL 1 -13.164 -5.310 4.938 459 HB VAL 1 HB VAL 1 -11.196 -7.341 3.812 460 1HG1 VAL 1 1HG1 VAL 1 -11.454 -5.842 1.737 461 2HG1 VAL 1 2HG1 VAL 1 -12.921 -5.230 2.499 462 3HG1 VAL 1 3HG1 VAL 1 -12.788 -6.936 2.090 463 1HG2 VAL 1 1HG2 VAL 1 -9.736 -5.433 3.472 464 2HG2 VAL 1 2HG2 VAL 1 -10.247 -5.421 5.158 465 3HG2 VAL 1 3HG2 VAL 1 -10.993 -4.316 4.007 466 H ASP 2 H ASP 2 -14.571 -6.070 3.126 467 HA ASP 2 HA ASP 2 -16.476 -7.902 4.006 468 1HB ASP 2 2HB ASP 2 -17.456 -7.723 1.761 469 2HB ASP 2 1HB ASP 2 -16.986 -6.144 2.382 470 H ASN 3 H ASN 3 -13.730 -8.352 1.859 471 HA ASN 3 HA ASN 3 -14.382 -11.150 1.432 472 1HB ASN 3 2HB ASN 3 -12.129 -9.452 0.338 473 2HB ASN 3 1HB ASN 3 -12.430 -11.132 -0.095 474 1HD2 ASN 3 1HD2 ASN 3 -15.272 -11.076 -0.346 475 2HD2 ASN 3 2HD2 ASN 3 -15.679 -10.055 -1.639 476 H LYS 4 H LYS 4 -12.945 -12.838 2.004 477 HA LYS 4 HA LYS 4 -11.699 -12.621 4.529 478 1HB LYS 4 2HB LYS 4 -10.893 -14.881 4.136 479 2HB LYS 4 1HB LYS 4 -12.546 -14.750 3.542 480 1HG LYS 4 2HG LYS 4 -11.640 -14.339 1.243 481 2HG LYS 4 1HG LYS 4 -10.014 -14.613 1.869 482 1HD LYS 4 2HD LYS 4 -10.696 -16.701 0.958 483 2HD LYS 4 1HD LYS 4 -10.879 -16.875 2.705 484 1HE LYS 4 2HE LYS 4 -13.239 -16.587 2.591 485 2HE LYS 4 1HE LYS 4 -13.161 -15.976 0.937 486 1HZ LYS 4 1HZ LYS 4 -12.603 -18.098 0.124 487 2HZ LYS 4 2HZ LYS 4 -13.888 -18.354 1.204 488 3HZ LYS 4 3HZ LYS 4 -12.296 -18.713 1.674 489 H PHE 5 H PHE 5 -10.710 -11.831 1.405 490 HA PHE 5 HA PHE 5 -7.932 -12.112 1.516 491 1HB PHE 5 2HB PHE 5 -9.824 -10.440 -0.116 492 2HB PHE 5 1HB PHE 5 -8.079 -10.245 -0.290 493 HD1 PHE 5 1HD PHE 5 -7.086 -11.517 -1.967 494 HD2 PHE 5 2HD PHE 5 -10.536 -13.058 0.082 495 HE1 PHE 5 1HE PHE 5 -6.991 -13.567 -3.354 496 HE2 PHE 5 2HE PHE 5 -10.442 -15.107 -1.313 497 HZ PHE 5 HZ PHE 5 -8.663 -15.364 -3.023 498 H ASN 6 H ASN 6 -9.563 -10.346 3.714 499 HA ASN 6 HA ASN 6 -8.404 -7.775 3.678 500 1HB ASN 6 2HB ASN 6 -10.150 -8.671 5.326 501 2HB ASN 6 1HB ASN 6 -8.814 -9.430 6.185 502 1HD2 ASN 6 1HD2 ASN 6 -7.333 -6.730 5.059 503 2HD2 ASN 6 2HD2 ASN 6 -7.689 -5.646 6.315 504 H LYS 7 H LYS 7 -7.183 -10.865 4.842 505 HA LYS 7 HA LYS 7 -4.659 -9.894 5.787 506 1HB LYS 7 2HB LYS 7 -5.530 -11.993 6.618 507 2HB LYS 7 1HB LYS 7 -5.667 -12.641 4.986 508 1HG LYS 7 2HG LYS 7 -3.162 -12.437 4.767 509 2HG LYS 7 1HG LYS 7 -3.101 -11.976 6.470 510 1HD LYS 7 2HD LYS 7 -3.866 -14.095 7.194 511 2HD LYS 7 1HD LYS 7 -4.487 -14.515 5.598 512 1HE LYS 7 2HE LYS 7 -1.710 -14.000 5.269 513 2HE LYS 7 1HE LYS 7 -1.869 -15.020 6.699 514 1HZ LYS 7 1HZ LYS 7 -3.009 -15.558 4.010 515 2HZ LYS 7 2HZ LYS 7 -3.273 -16.521 5.386 516 3HZ LYS 7 3HZ LYS 7 -1.710 -16.375 4.736 517 H GLU 8 H GLU 8 -5.745 -11.563 2.856 518 HA GLU 8 HA GLU 8 -3.254 -11.657 1.524 519 1HB GLU 8 2HB GLU 8 -6.085 -11.688 0.388 520 2HB GLU 8 1HB GLU 8 -4.630 -12.192 -0.479 521 1HG GLU 8 2HG GLU 8 -5.879 -13.489 1.960 522 2HG GLU 8 1HG GLU 8 -5.662 -14.193 0.359 523 H ARG 9 H ARG 9 -5.801 -9.237 1.554 524 HA ARG 9 HA ARG 9 -5.071 -7.757 -0.700 525 1HB ARG 9 2HB ARG 9 -7.197 -7.502 0.647 526 2HB ARG 9 1HB ARG 9 -6.254 -6.632 1.857 527 1HG ARG 9 2HG ARG 9 -5.504 -5.351 -0.469 528 2HG ARG 9 1HG ARG 9 -7.186 -5.752 -0.802 529 1HD ARG 9 2HD ARG 9 -6.252 -4.362 1.717 530 2HD ARG 9 1HD ARG 9 -6.865 -3.517 0.303 531 HE ARG 9 HE ARG 9 -8.428 -5.271 2.081 532 1HH1 ARG 9 1HH2 ARG 9 -8.707 -4.390 -1.089 533 2HH1 ARG 9 2HH2 ARG 9 -10.184 -3.502 -0.933 534 1HH2 ARG 9 1HH1 ARG 9 -10.134 -3.516 2.524 535 2HH2 ARG 9 2HH1 ARG 9 -10.990 -3.008 1.108 536 H VAL 10 H VAL 10 -4.111 -7.455 2.742 537 HA VAL 10 HA VAL 10 -2.429 -5.227 2.332 538 HB VAL 10 HB VAL 10 -2.035 -5.240 4.525 539 1HG1 VAL 10 1HG1 VAL 10 -4.460 -6.187 4.286 540 2HG1 VAL 10 2HG1 VAL 10 -3.684 -6.202 5.877 541 3HG1 VAL 10 3HG1 VAL 10 -3.749 -7.678 4.907 542 1HG2 VAL 10 1HG2 VAL 10 -1.517 -8.207 4.572 543 2HG2 VAL 10 2HG2 VAL 10 -1.079 -7.013 5.803 544 3HG2 VAL 10 3HG2 VAL 10 -0.282 -6.989 4.229 545 H ILE 11 H ILE 11 -1.868 -8.697 2.001 546 HA ILE 11 HA ILE 11 0.952 -8.542 1.700 547 HB ILE 11 HB ILE 11 -0.924 -10.550 0.405 548 1HG1 ILE 11 2HG1 ILE 11 -1.088 -10.314 2.938 549 2HG1 ILE 11 1HG1 ILE 11 -0.621 -11.910 2.363 550 1HG2 ILE 11 1HG2 ILE 11 1.181 -11.995 0.640 551 2HG2 ILE 11 2HG2 ILE 11 2.062 -10.500 0.961 552 3HG2 ILE 11 3HG2 ILE 11 1.253 -10.736 -0.596 553 1HD1 ILE 11 1HD1 ILE 11 1.258 -11.785 3.584 554 2HD1 ILE 11 2HD1 ILE 11 0.813 -10.171 4.115 555 3HD1 ILE 11 3HD1 ILE 11 1.773 -10.374 2.667 556 H ALA 12 H ALA 12 -1.748 -8.168 -0.576 557 HA ALA 12 HA ALA 12 -0.156 -7.939 -2.935 558 1HB ALA 12 1HB ALA 12 -2.951 -7.074 -2.199 559 2HB ALA 12 2HB ALA 12 -2.481 -8.425 -3.221 560 3HB ALA 12 3HB ALA 12 -2.257 -6.769 -3.789 561 H ILE 13 H ILE 13 -1.610 -5.597 -0.715 562 HA ILE 13 HA ILE 13 -0.692 -3.260 -1.994 563 HB ILE 13 HB ILE 13 -1.128 -3.801 0.974 564 1HG1 ILE 13 2HG1 ILE 13 -2.972 -2.486 -0.994 565 2HG1 ILE 13 1HG1 ILE 13 -3.016 -4.219 -0.706 566 1HG2 ILE 13 1HG2 ILE 13 -0.960 -1.225 -0.602 567 2HG2 ILE 13 2HG2 ILE 13 0.069 -1.710 0.731 568 3HG2 ILE 13 3HG2 ILE 13 -1.632 -1.336 1.025 569 1HD1 ILE 13 1HD1 ILE 13 -4.690 -3.022 0.655 570 2HD1 ILE 13 2HD1 ILE 13 -3.385 -2.084 1.381 571 3HD1 ILE 13 3HD1 ILE 13 -3.480 -3.813 1.665 572 H GLY 14 H GLY 14 0.704 -5.421 0.386 573 1HA GLY 14 2HA GLY 14 3.161 -4.119 0.827 574 2HA GLY 14 1HA GLY 14 2.871 -5.850 1.003 575 H GLU 15 H GLU 15 2.149 -6.489 -1.626 576 HA GLU 15 HA GLU 15 4.693 -6.816 -2.811 577 1HB GLU 15 2HB GLU 15 2.544 -8.231 -3.058 578 2HB GLU 15 1HB GLU 15 2.114 -7.088 -4.305 579 1HG GLU 15 2HG GLU 15 3.581 -8.000 -5.796 580 2HG GLU 15 1HG GLU 15 4.868 -8.015 -4.593 581 H ILE 16 H ILE 16 1.893 -4.695 -3.563 582 HA ILE 16 HA ILE 16 3.046 -3.536 -5.884 583 HB ILE 16 HB ILE 16 1.650 -1.627 -4.023 584 1HG1 ILE 16 2HG1 ILE 16 0.337 -3.769 -3.846 585 2HG1 ILE 16 1HG1 ILE 16 -0.553 -2.406 -4.464 586 1HG2 ILE 16 1HG2 ILE 16 1.427 -2.202 -6.983 587 2HG2 ILE 16 2HG2 ILE 16 2.347 -0.907 -6.235 588 3HG2 ILE 16 3HG2 ILE 16 0.592 -0.915 -6.126 589 1HD1 ILE 16 1HD1 ILE 16 -0.315 -3.180 -6.725 590 2HD1 ILE 16 2HD1 ILE 16 -0.953 -4.504 -5.746 591 3HD1 ILE 16 3HD1 ILE 16 0.751 -4.493 -6.212 592 H MET 17 H MET 17 3.151 -2.498 -2.527 593 HA MET 17 HA MET 17 4.886 -0.312 -2.759 594 1HB MET 17 2HB MET 17 4.441 -2.139 -0.418 595 2HB MET 17 1HB MET 17 5.093 -0.493 -0.376 596 1HG MET 17 2HG MET 17 2.377 -1.133 -1.544 597 2HG MET 17 1HG MET 17 2.598 -0.671 0.134 598 1HE MET 17 1HE MET 17 4.115 0.873 0.743 599 2HE MET 17 2HE MET 17 3.269 2.423 0.591 600 3HE MET 17 3HE MET 17 4.818 2.200 -0.220 601 H ARG 18 H ARG 18 5.521 -3.771 -2.469 602 HA ARG 18 HA ARG 18 8.322 -3.553 -1.975 603 1HB ARG 18 2HB ARG 18 6.525 -5.747 -2.851 604 2HB ARG 18 1HB ARG 18 8.263 -5.969 -2.888 605 1HG ARG 18 2HG ARG 18 7.703 -4.798 -0.382 606 2HG ARG 18 1HG ARG 18 6.462 -6.015 -0.621 607 1HD ARG 18 2HD ARG 18 9.349 -6.630 -1.137 608 2HD ARG 18 1HD ARG 18 8.665 -6.748 0.479 609 HE ARG 18 HE ARG 18 7.052 -8.166 -1.399 610 1HH1 ARG 18 1HH1 ARG 18 9.934 -9.064 -1.943 611 2HH1 ARG 18 2HH1 ARG 18 10.054 -10.450 -0.911 612 1HH2 ARG 18 1HH2 ARG 18 7.241 -9.639 0.938 613 2HH2 ARG 18 2HH2 ARG 18 8.530 -10.774 0.720 614 H LEU 19 H LEU 19 6.320 -3.821 -4.882 615 HA LEU 19 HA LEU 19 8.327 -4.316 -6.778 616 1HB LEU 19 2HB LEU 19 5.758 -2.767 -7.057 617 2HB LEU 19 1HB LEU 19 6.774 -3.202 -8.399 618 HG LEU 19 HG LEU 19 5.551 -5.205 -6.497 619 1HD1 LEU 19 1HD1 LEU 19 3.951 -5.666 -8.296 620 2HD1 LEU 19 2HD1 LEU 19 4.668 -4.385 -9.273 621 3HD1 LEU 19 3HD1 LEU 19 3.822 -3.993 -7.777 622 1HD2 LEU 19 1HD2 LEU 19 7.627 -5.445 -8.316 623 2HD2 LEU 19 2HD2 LEU 19 6.225 -6.063 -9.180 624 3HD2 LEU 19 3HD2 LEU 19 6.683 -6.759 -7.629 625 HA PRO 20 HA PRO 20 10.352 -0.347 -6.234 626 1HB PRO 20 2HB PRO 20 12.557 -1.366 -7.783 627 2HB PRO 20 1HB PRO 20 12.470 -1.087 -6.041 628 1HG PRO 20 2HG PRO 20 12.671 -3.539 -7.231 629 2HG PRO 20 1HG PRO 20 12.029 -3.250 -5.606 630 1HD PRO 20 2HD PRO 20 10.552 -3.734 -8.159 631 2HD PRO 20 1HD PRO 20 10.176 -4.271 -6.505 632 H ASN 21 H ASN 21 9.379 -1.847 -9.200 633 HA ASN 21 HA ASN 21 10.379 0.369 -10.831 634 1HB ASN 21 2HB ASN 21 8.811 -2.064 -11.672 635 2HB ASN 21 1HB ASN 21 9.587 -0.906 -12.735 636 1HD2 ASN 21 1HD2 ASN 21 10.132 -3.875 -12.299 637 2HD2 ASN 21 2HD2 ASN 21 11.792 -3.950 -11.950 638 H LEU 22 H LEU 22 7.445 -0.581 -9.215 639 HA LEU 22 HA LEU 22 5.643 0.852 -10.915 640 1HB LEU 22 2HB LEU 22 5.320 0.116 -8.005 641 2HB LEU 22 1HB LEU 22 4.045 0.737 -9.029 642 HG LEU 22 HG LEU 22 5.461 -1.918 -9.191 643 1HD1 LEU 22 1HD1 LEU 22 2.599 -0.996 -8.860 644 2HD1 LEU 22 2HD1 LEU 22 3.550 -1.988 -7.760 645 3HD1 LEU 22 3HD1 LEU 22 3.001 -2.656 -9.301 646 1HD2 LEU 22 1HD2 LEU 22 3.876 -0.430 -11.245 647 2HD2 LEU 22 2HD2 LEU 22 3.943 -2.184 -11.239 648 3HD2 LEU 22 3HD2 LEU 22 5.429 -1.255 -11.434 649 H ASN 23 H ASN 23 4.591 2.786 -10.534 650 HA ASN 23 HA ASN 23 6.240 4.884 -9.347 651 1HB ASN 23 2HB ASN 23 5.356 5.795 -11.250 652 2HB ASN 23 1HB ASN 23 4.075 4.624 -11.338 653 1HD2 ASN 23 1HD2 ASN 23 2.343 6.013 -11.747 654 2HD2 ASN 23 2HD2 ASN 23 1.856 7.241 -10.684 655 H SER 24 H SER 24 5.372 6.293 -7.659 656 HA SER 24 HA SER 24 4.150 4.893 -5.533 657 1HB SER 24 2HB SER 24 3.670 7.723 -5.290 658 2HB SER 24 1HB SER 24 4.773 6.709 -4.376 659 HG SER 24 HG SER 24 6.341 7.514 -5.505 660 H LEU 25 H LEU 25 2.893 7.146 -7.919 661 HA LEU 25 HA LEU 25 0.199 7.091 -7.008 662 1HB LEU 25 2HB LEU 25 1.689 8.341 -9.176 663 2HB LEU 25 1HB LEU 25 0.115 7.793 -9.685 664 HG LEU 25 HG LEU 25 0.666 9.527 -7.311 665 1HD1 LEU 25 1HD1 LEU 25 -0.608 10.166 -9.985 666 2HD1 LEU 25 2HD1 LEU 25 0.979 10.719 -9.447 667 3HD1 LEU 25 3HD1 LEU 25 -0.477 11.283 -8.626 668 1HD2 LEU 25 1HD2 LEU 25 -1.319 8.735 -6.622 669 2HD2 LEU 25 2HD2 LEU 25 -1.574 7.900 -8.154 670 3HD2 LEU 25 3HD2 LEU 25 -2.041 9.595 -7.983 671 H GLN 26 H GLN 26 2.107 5.208 -9.293 672 HA GLN 26 HA GLN 26 -0.042 3.803 -10.519 673 1HB GLN 26 2HB GLN 26 2.872 3.449 -10.293 674 2HB GLN 26 1HB GLN 26 1.974 1.956 -10.479 675 1HG GLN 26 2HG GLN 26 0.915 2.822 -12.524 676 2HG GLN 26 1HG GLN 26 1.789 4.346 -12.341 677 1HE2 GLN 26 1HE2 GLN 26 3.718 1.761 -11.253 678 2HE2 GLN 26 2HE2 GLN 26 4.627 1.548 -12.669 679 H VAL 27 H VAL 27 1.894 3.348 -7.661 680 HA VAL 27 HA VAL 27 0.908 0.821 -6.916 681 HB VAL 27 HB VAL 27 2.269 3.006 -5.352 682 1HG1 VAL 27 1HG1 VAL 27 2.633 0.684 -3.911 683 2HG1 VAL 27 2HG1 VAL 27 0.949 0.541 -4.406 684 3HG1 VAL 27 3HG1 VAL 27 1.482 1.953 -3.497 685 1HG2 VAL 27 1HG2 VAL 27 3.092 0.950 -7.176 686 2HG2 VAL 27 2HG2 VAL 27 3.723 0.555 -5.575 687 3HG2 VAL 27 3HG2 VAL 27 4.105 2.109 -6.311 688 H VAL 28 H VAL 28 -0.009 4.107 -6.120 689 HA VAL 28 HA VAL 28 -2.102 3.498 -4.349 690 HB VAL 28 HB VAL 28 -1.808 5.848 -6.249 691 1HG1 VAL 28 1HG1 VAL 28 -3.224 6.371 -3.788 692 2HG1 VAL 28 2HG1 VAL 28 -3.962 5.012 -4.633 693 3HG1 VAL 28 3HG1 VAL 28 -3.785 6.562 -5.452 694 1HG2 VAL 28 1HG2 VAL 28 -1.307 6.307 -3.395 695 2HG2 VAL 28 2HG2 VAL 28 -0.314 6.743 -4.787 696 3HG2 VAL 28 3HG2 VAL 28 -0.182 5.135 -4.080 697 H ALA 29 H ALA 29 -1.801 3.545 -7.846 698 HA ALA 29 HA ALA 29 -4.506 3.458 -8.597 699 1HB ALA 29 1HB ALA 29 -3.662 3.180 -10.701 700 2HB ALA 29 2HB ALA 29 -2.612 1.845 -10.213 701 3HB ALA 29 3HB ALA 29 -2.111 3.515 -9.929 702 H PHE 30 H PHE 30 -2.152 0.892 -7.853 703 HA PHE 30 HA PHE 30 -3.987 -1.222 -8.253 704 1HB PHE 30 2HB PHE 30 -1.255 -1.040 -6.937 705 2HB PHE 30 1HB PHE 30 -2.126 -2.551 -7.224 706 HD1 PHE 30 1HD PHE 30 0.410 -0.565 -8.556 707 HD2 PHE 30 2HD PHE 30 -3.212 -2.558 -9.843 708 HE1 PHE 30 1HE PHE 30 1.165 -0.486 -10.881 709 HE2 PHE 30 2HE PHE 30 -2.405 -2.457 -12.155 710 HZ PHE 30 HZ PHE 30 -0.229 -1.441 -12.686 711 H ILE 31 H ILE 31 -2.740 0.519 -5.395 712 HA ILE 31 HA ILE 31 -4.019 -1.027 -3.420 713 HB ILE 31 HB ILE 31 -3.342 1.932 -3.415 714 1HG1 ILE 31 2HG1 ILE 31 -1.847 -0.369 -2.129 715 2HG1 ILE 31 1HG1 ILE 31 -1.450 0.220 -3.732 716 1HG2 ILE 31 1HG2 ILE 31 -4.983 1.429 -1.671 717 2HG2 ILE 31 2HG2 ILE 31 -3.398 1.662 -0.931 718 3HG2 ILE 31 3HG2 ILE 31 -4.036 0.035 -1.157 719 1HD1 ILE 31 1HD1 ILE 31 -1.443 1.884 -1.186 720 2HD1 ILE 31 2HD1 ILE 31 -1.071 2.482 -2.807 721 3HD1 ILE 31 3HD1 ILE 31 -0.006 1.302 -2.038 722 H ASN 32 H ASN 32 -5.088 1.861 -5.167 723 HA ASN 32 HA ASN 32 -7.626 2.180 -3.988 724 1HB ASN 32 2HB ASN 32 -6.409 2.994 -6.602 725 2HB ASN 32 1HB ASN 32 -8.156 3.094 -6.445 726 1HD2 ASN 32 1HD2 ASN 32 -5.626 5.082 -6.306 727 2HD2 ASN 32 2HD2 ASN 32 -6.099 6.122 -5.051 728 H SER 33 H SER 33 -6.524 -0.040 -6.536 729 HA SER 33 HA SER 33 -9.161 -0.745 -7.332 730 1HB SER 33 2HB SER 33 -6.435 -1.585 -8.048 731 2HB SER 33 1HB SER 33 -7.761 -2.695 -8.406 732 HG SER 33 HG SER 33 -8.085 0.007 -9.025 733 H LEU 34 H LEU 34 -6.892 -1.821 -4.918 734 HA LEU 34 HA LEU 34 -8.110 -4.349 -4.367 735 1HB LEU 34 2HB LEU 34 -6.897 -2.589 -2.231 736 2HB LEU 34 1HB LEU 34 -6.909 -4.344 -2.323 737 HG LEU 34 HG LEU 34 -5.316 -2.454 -4.055 738 1HD1 LEU 34 1HD1 LEU 34 -4.651 -3.217 -1.647 739 2HD1 LEU 34 2HD1 LEU 34 -3.448 -3.145 -2.942 740 3HD1 LEU 34 3HD1 LEU 34 -4.162 -4.698 -2.475 741 1HD2 LEU 34 1HD2 LEU 34 -5.846 -4.138 -5.524 742 2HD2 LEU 34 2HD2 LEU 34 -5.903 -5.346 -4.268 743 3HD2 LEU 34 3HD2 LEU 34 -4.356 -4.751 -4.829 744 H ARG 35 H ARG 35 -8.476 -1.048 -3.262 745 HA ARG 35 HA ARG 35 -10.589 -1.283 -1.412 746 1HB ARG 35 2HB ARG 35 -9.222 0.796 -2.872 747 2HB ARG 35 1HB ARG 35 -10.950 1.082 -2.985 748 1HG ARG 35 2HG ARG 35 -11.017 1.833 -0.869 749 2HG ARG 35 1HG ARG 35 -10.256 0.368 -0.264 750 1HD ARG 35 2HD ARG 35 -8.056 1.439 -1.204 751 2HD ARG 35 1HD ARG 35 -8.982 2.937 -1.159 752 HE ARG 35 HE ARG 35 -7.894 1.539 1.093 753 1HH1 ARG 35 1HH1 ARG 35 -10.862 1.533 1.637 754 2HH1 ARG 35 2HH1 ARG 35 -11.083 3.032 2.475 755 1HH2 ARG 35 1HH2 ARG 35 -8.037 4.342 1.480 756 2HH2 ARG 35 2HH2 ARG 35 -9.486 4.621 2.385 757 H ASP 36 H ASP 36 -10.558 -0.812 -4.902 758 HA ASP 36 HA ASP 36 -13.349 -0.697 -5.330 759 1HB ASP 36 2HB ASP 36 -11.057 -1.496 -7.150 760 2HB ASP 36 1HB ASP 36 -12.704 -1.207 -7.702 761 H ASP 37 H ASP 37 -11.022 -3.359 -5.333 762 HA ASP 37 HA ASP 37 -13.145 -5.304 -4.881 763 1HB ASP 37 2HB ASP 37 -11.347 -5.502 -7.316 764 2HB ASP 37 1HB ASP 37 -12.455 -6.752 -6.759 765 HA PRO 38 HA PRO 38 -9.418 -6.358 -2.526 766 1HB PRO 38 2HB PRO 38 -11.153 -7.733 -0.700 767 2HB PRO 38 1HB PRO 38 -10.238 -6.253 -0.437 768 1HG PRO 38 2HG PRO 38 -13.000 -6.490 -0.632 769 2HG PRO 38 1HG PRO 38 -12.066 -4.990 -0.682 770 1HD PRO 38 2HD PRO 38 -13.388 -6.435 -2.879 771 2HD PRO 38 1HD PRO 38 -12.845 -4.745 -2.803 772 H SER 39 H SER 39 -12.088 -8.309 -3.654 773 HA SER 39 HA SER 39 -11.027 -10.882 -3.140 774 1HB SER 39 2HB SER 39 -13.399 -10.499 -3.711 775 2HB SER 39 1HB SER 39 -12.929 -9.976 -5.323 776 HG SER 39 HG SER 39 -11.994 -12.069 -5.605 777 H GLN 40 H GLN 40 -10.787 -8.613 -5.840 778 HA GLN 40 HA GLN 40 -8.868 -10.358 -7.160 779 1HB GLN 40 2HB GLN 40 -9.582 -7.847 -8.504 780 2HB GLN 40 1HB GLN 40 -9.417 -9.462 -9.139 781 1HG GLN 40 2HG GLN 40 -11.776 -8.591 -7.476 782 2HG GLN 40 1HG GLN 40 -11.770 -8.620 -9.234 783 1HE2 GLN 40 1HE2 GLN 40 -13.306 -10.305 -7.161 784 2HE2 GLN 40 2HE2 GLN 40 -12.993 -11.908 -7.626 785 H SER 41 H SER 41 -8.332 -8.772 -4.668 786 HA SER 41 HA SER 41 -6.769 -6.544 -5.259 787 1HB SER 41 2HB SER 41 -7.331 -7.131 -2.941 788 2HB SER 41 1HB SER 41 -6.485 -8.671 -3.087 789 HG SER 41 HG SER 41 -4.717 -6.893 -3.734 790 H ALA 42 H ALA 42 -6.218 -9.895 -5.530 791 HA ALA 42 HA ALA 42 -3.398 -9.906 -5.964 792 1HB ALA 42 1HB ALA 42 -5.381 -11.976 -6.888 793 2HB ALA 42 2HB ALA 42 -4.913 -11.818 -5.190 794 3HB ALA 42 3HB ALA 42 -3.696 -12.211 -6.407 795 H ASN 43 H ASN 43 -6.223 -9.423 -7.940 796 HA ASN 43 HA ASN 43 -5.184 -10.075 -10.474 797 1HB ASN 43 2HB ASN 43 -7.550 -9.924 -9.806 798 2HB ASN 43 1HB ASN 43 -7.375 -8.169 -9.823 799 1HD2 ASN 43 1HD2 ASN 43 -7.020 -11.047 -11.956 800 2HD2 ASN 43 2HD2 ASN 43 -7.345 -10.206 -13.395 801 H LEU 44 H LEU 44 -5.817 -6.918 -8.980 802 HA LEU 44 HA LEU 44 -4.478 -5.595 -11.079 803 1HB LEU 44 2HB LEU 44 -4.989 -3.517 -9.981 804 2HB LEU 44 1HB LEU 44 -6.401 -4.545 -9.965 805 HG LEU 44 HG LEU 44 -6.003 -3.313 -7.883 806 1HD1 LEU 44 1HD1 LEU 44 -7.079 -4.850 -6.752 807 2HD1 LEU 44 2HD1 LEU 44 -5.828 -6.072 -7.022 808 3HD1 LEU 44 3HD1 LEU 44 -7.028 -5.753 -8.263 809 1HD2 LEU 44 1HD2 LEU 44 -3.946 -5.170 -6.989 810 2HD2 LEU 44 2HD2 LEU 44 -4.213 -3.479 -6.592 811 3HD2 LEU 44 3HD2 LEU 44 -3.428 -3.895 -8.092 812 H LEU 45 H LEU 45 -3.710 -6.989 -8.069 813 HA LEU 45 HA LEU 45 -1.166 -5.777 -7.618 814 1HB LEU 45 2HB LEU 45 -1.912 -7.033 -5.776 815 2HB LEU 45 1HB LEU 45 -2.538 -8.320 -6.793 816 HG LEU 45 HG LEU 45 -0.233 -9.013 -7.347 817 1HD1 LEU 45 1HD1 LEU 45 1.632 -8.015 -6.088 818 2HD1 LEU 45 2HD1 LEU 45 0.525 -6.836 -5.391 819 3HD1 LEU 45 3HD1 LEU 45 0.849 -6.829 -7.119 820 1HD2 LEU 45 1HD2 LEU 45 -1.521 -9.238 -4.795 821 2HD2 LEU 45 2HD2 LEU 45 0.218 -9.143 -4.535 822 3HD2 LEU 45 3HD2 LEU 45 -0.449 -10.386 -5.588 823 H ALA 46 H ALA 46 -2.549 -8.357 -9.454 824 HA ALA 46 HA ALA 46 -0.191 -9.528 -10.507 825 1HB ALA 46 1HB ALA 46 -1.726 -10.926 -11.425 826 2HB ALA 46 2HB ALA 46 -2.376 -9.612 -12.402 827 3HB ALA 46 3HB ALA 46 -3.011 -9.900 -10.785 828 H GLU 47 H GLU 47 -2.383 -6.977 -11.529 829 HA GLU 47 HA GLU 47 -1.149 -6.239 -13.941 830 1HB GLU 47 2HB GLU 47 -2.754 -4.578 -11.976 831 2HB GLU 47 1HB GLU 47 -2.301 -4.054 -13.592 832 1HG GLU 47 2HG GLU 47 -4.085 -6.363 -12.841 833 2HG GLU 47 1HG GLU 47 -4.573 -4.857 -13.593 834 H ALA 48 H ALA 48 -0.562 -5.461 -10.576 835 HA ALA 48 HA ALA 48 1.187 -3.263 -10.958 836 1HB ALA 48 1HB ALA 48 -0.124 -4.463 -8.868 837 2HB ALA 48 2HB ALA 48 1.130 -3.233 -8.702 838 3HB ALA 48 3HB ALA 48 1.551 -4.944 -8.586 839 H LYS 49 H LYS 49 1.691 -6.666 -10.181 840 HA LYS 49 HA LYS 49 4.506 -6.572 -10.131 841 1HB LYS 49 2HB LYS 49 2.478 -8.748 -10.507 842 2HB LYS 49 1HB LYS 49 4.205 -9.097 -10.549 843 1HG LYS 49 2HG LYS 49 4.390 -7.985 -8.299 844 2HG LYS 49 1HG LYS 49 2.629 -7.881 -8.272 845 1HD LYS 49 2HD LYS 49 4.140 -10.484 -8.654 846 2HD LYS 49 1HD LYS 49 3.592 -9.908 -7.088 847 1HE LYS 49 2HE LYS 49 1.325 -9.681 -8.711 848 2HE LYS 49 1HE LYS 49 2.065 -11.200 -9.213 849 1HZ LYS 49 1HZ LYS 49 0.462 -11.286 -7.276 850 2HZ LYS 49 2HZ LYS 49 1.670 -10.516 -6.362 851 3HZ LYS 49 3HZ LYS 49 1.964 -12.042 -7.052 852 H LYS 50 H LYS 50 2.125 -6.956 -12.626 853 HA LYS 50 HA LYS 50 3.924 -7.543 -14.778 854 1HB LYS 50 2HB LYS 50 1.075 -6.621 -14.635 855 2HB LYS 50 1HB LYS 50 1.933 -6.740 -16.170 856 1HG LYS 50 2HG LYS 50 2.507 -9.145 -15.533 857 2HG LYS 50 1HG LYS 50 1.355 -8.985 -14.213 858 1HD LYS 50 2HD LYS 50 0.670 -8.497 -17.127 859 2HD LYS 50 1HD LYS 50 0.385 -10.021 -16.291 860 1HE LYS 50 2HE LYS 50 -0.941 -8.631 -14.570 861 2HE LYS 50 1HE LYS 50 -0.895 -7.335 -15.766 862 1HZ LYS 50 1HZ LYS 50 -2.889 -8.614 -16.037 863 2HZ LYS 50 2HZ LYS 50 -2.004 -10.060 -16.160 864 3HZ LYS 50 3HZ LYS 50 -1.881 -8.879 -17.375 865 H LEU 51 H LEU 51 2.478 -4.620 -13.412 866 HA LEU 51 HA LEU 51 3.447 -2.867 -15.448 867 1HB LEU 51 2HB LEU 51 2.014 -2.603 -12.921 868 2HB LEU 51 1HB LEU 51 3.228 -1.346 -13.114 869 HG LEU 51 HG LEU 51 0.999 -0.759 -14.082 870 1HD1 LEU 51 1HD1 LEU 51 2.155 -0.284 -16.457 871 2HD1 LEU 51 2HD1 LEU 51 3.593 -0.780 -15.559 872 3HD1 LEU 51 3HD1 LEU 51 2.615 0.584 -14.991 873 1HD2 LEU 51 1HD2 LEU 51 -0.068 -2.279 -15.369 874 2HD2 LEU 51 2HD2 LEU 51 1.320 -3.364 -15.273 875 3HD2 LEU 51 3HD2 LEU 51 1.226 -2.163 -16.562 876 H ASN 52 H ASN 52 4.586 -3.944 -12.354 877 HA ASN 52 HA ASN 52 6.930 -2.353 -12.212 878 1HB ASN 52 2HB ASN 52 6.148 -3.543 -10.256 879 2HB ASN 52 1HB ASN 52 6.294 -5.088 -11.077 880 1HD2 ASN 52 1HD2 ASN 52 8.532 -5.761 -11.677 881 2HD2 ASN 52 2HD2 ASN 52 9.840 -5.220 -10.742 882 H ASP 53 H ASP 53 6.045 -5.422 -13.602 883 HA ASP 53 HA ASP 53 8.644 -6.116 -14.588 884 1HB ASP 53 2HB ASP 53 6.739 -7.743 -14.357 885 2HB ASP 53 1HB ASP 53 5.972 -6.956 -15.735 886 H ALA 54 H ALA 54 5.919 -4.284 -15.802 887 HA ALA 54 HA ALA 54 6.732 -3.956 -18.478 888 1HB ALA 54 1HB ALA 54 4.980 -2.428 -18.642 889 2HB ALA 54 2HB ALA 54 5.168 -1.886 -16.973 890 3HB ALA 54 3HB ALA 54 4.466 -3.468 -17.313 891 H GLN 55 H GLN 55 7.364 -2.115 -15.532 892 HA GLN 55 HA GLN 55 8.984 -0.149 -16.958 893 1HB GLN 55 2HB GLN 55 8.203 -0.459 -14.100 894 2HB GLN 55 1HB GLN 55 9.167 0.870 -14.708 895 1HG GLN 55 2HG GLN 55 7.380 1.807 -15.851 896 2HG GLN 55 1HG GLN 55 6.562 0.257 -16.042 897 1HE2 GLN 55 1HE2 GLN 55 6.107 -0.760 -13.667 898 2HE2 GLN 55 2HE2 GLN 55 5.330 0.318 -12.612 899 H ALA 56 H ALA 56 9.458 -3.191 -15.692 900 HA ALA 56 HA ALA 56 11.939 -2.899 -14.333 901 1HB ALA 56 1HB ALA 56 12.190 -5.345 -14.745 902 2HB ALA 56 2HB ALA 56 10.753 -5.289 -15.756 903 3HB ALA 56 3HB ALA 56 10.633 -4.924 -14.037 904 HA PRO 57 HA PRO 57 14.793 -2.637 -17.625 905 1HB PRO 57 2HB PRO 57 16.838 -4.170 -16.283 906 2HB PRO 57 1HB PRO 57 16.634 -2.415 -16.316 907 1HG PRO 57 2HG PRO 57 16.334 -3.967 -14.089 908 2HG PRO 57 1HG PRO 57 15.597 -2.374 -14.317 909 1HD PRO 57 2HD PRO 57 14.369 -5.088 -14.678 910 2HD PRO 57 1HD PRO 57 13.684 -3.625 -13.928 911 H LYS 58 H LYS 58 12.996 -4.751 -18.026 912 HA LYS 58 HA LYS 58 14.122 -7.254 -18.604 913 1HB LYS 58 2HB LYS 58 12.056 -6.444 -20.504 914 2HB LYS 58 1HB LYS 58 12.120 -7.838 -19.450 915 1HG LYS 58 2HG LYS 58 10.407 -6.768 -18.386 916 2HG LYS 58 1HG LYS 58 11.711 -5.893 -17.599 917 1HD LYS 58 2HD LYS 58 10.340 -4.148 -18.379 918 2HD LYS 58 1HD LYS 58 11.544 -4.276 -19.656 919 1HE LYS 58 2HE LYS 58 9.290 -4.140 -20.625 920 2HE LYS 58 1HE LYS 58 9.995 -5.720 -20.956 921 1HZ LYS 58 1HZ LYS 58 8.379 -5.358 -18.531 922 2HZ LYS 58 2HZ LYS 58 8.615 -6.753 -19.472 923 3HZ LYS 58 3HZ LYS 58 7.587 -5.517 -20.022 Start of MODEL 9 1 1H VAL 1 1HT VAL 1 4.601 -19.678 8.208 2 2H VAL 1 2HT VAL 1 6.031 -19.159 7.452 3 3H VAL 1 3HT VAL 1 4.606 -19.346 6.545 4 HA VAL 1 HA VAL 1 3.572 -17.587 7.957 5 HB VAL 1 HB VAL 1 6.477 -17.136 8.736 6 1HG1 VAL 1 1HG1 VAL 1 3.894 -15.684 9.385 7 2HG1 VAL 1 2HG1 VAL 1 5.326 -15.028 8.594 8 3HG1 VAL 1 3HG1 VAL 1 5.383 -15.452 10.303 9 1HG2 VAL 1 1HG2 VAL 1 5.613 -19.046 9.967 10 2HG2 VAL 1 2HG2 VAL 1 4.113 -18.190 10.327 11 3HG2 VAL 1 3HG2 VAL 1 5.629 -17.657 11.053 12 H ASP 2 H ASP 2 3.199 -15.844 6.689 13 HA ASP 2 HA ASP 2 4.589 -15.603 4.181 14 1HB ASP 2 2HB ASP 2 2.953 -13.897 3.669 15 2HB ASP 2 1HB ASP 2 2.128 -15.229 4.472 16 H ASN 3 H ASN 3 4.904 -13.108 3.509 17 HA ASN 3 HA ASN 3 7.186 -12.196 5.008 18 1HB ASN 3 2HB ASN 3 5.666 -11.041 2.655 19 2HB ASN 3 1HB ASN 3 7.107 -10.292 3.343 20 1HD2 ASN 3 1HD2 ASN 3 8.849 -12.364 3.765 21 2HD2 ASN 3 2HD2 ASN 3 9.148 -13.213 2.326 22 H LYS 4 H LYS 4 6.544 -11.582 7.049 23 HA LYS 4 HA LYS 4 4.238 -10.147 7.720 24 1HB LYS 4 2HB LYS 4 5.770 -11.389 9.295 25 2HB LYS 4 1HB LYS 4 6.865 -10.010 9.199 26 1HG LYS 4 2HG LYS 4 5.053 -8.524 9.981 27 2HG LYS 4 1HG LYS 4 3.968 -9.908 10.098 28 1HD LYS 4 2HD LYS 4 4.749 -9.739 12.294 29 2HD LYS 4 1HD LYS 4 5.866 -10.919 11.602 30 1HE LYS 4 2HE LYS 4 7.280 -9.370 12.702 31 2HE LYS 4 1HE LYS 4 7.347 -8.886 11.007 32 1HZ LYS 4 1HZ LYS 4 5.256 -7.476 11.823 33 2HZ LYS 4 2HZ LYS 4 6.848 -6.886 11.879 34 3HZ LYS 4 3HZ LYS 4 6.130 -7.534 13.275 35 H PHE 5 H PHE 5 7.530 -8.938 7.038 36 HA PHE 5 HA PHE 5 6.993 -6.237 7.531 37 1HB PHE 5 2HB PHE 5 9.091 -5.772 6.660 38 2HB PHE 5 1HB PHE 5 9.274 -7.458 7.130 39 HD1 PHE 5 1HD PHE 5 9.049 -9.270 5.369 40 HD2 PHE 5 2HD PHE 5 9.251 -5.086 4.371 41 HE1 PHE 5 1HE PHE 5 9.617 -9.853 3.027 42 HE2 PHE 5 2HE PHE 5 9.819 -5.679 2.032 43 HZ PHE 5 HZ PHE 5 10.003 -8.059 1.361 44 H ASN 6 H ASN 6 6.663 -8.211 4.601 45 HA ASN 6 HA ASN 6 5.961 -6.126 2.817 46 1HB ASN 6 2HB ASN 6 6.612 -8.442 2.153 47 2HB ASN 6 1HB ASN 6 5.075 -9.009 2.789 48 1HD2 ASN 6 1HD2 ASN 6 4.457 -9.729 0.618 49 2HD2 ASN 6 2HD2 ASN 6 3.974 -8.604 -0.566 50 H LYS 7 H LYS 7 4.118 -8.299 4.899 51 HA LYS 7 HA LYS 7 1.537 -7.483 4.145 52 1HB LYS 7 2HB LYS 7 2.179 -9.529 5.517 53 2HB LYS 7 1HB LYS 7 2.386 -8.447 6.889 54 1HG LYS 7 2HG LYS 7 0.073 -7.798 6.835 55 2HG LYS 7 1HG LYS 7 -0.176 -8.608 5.287 56 1HD LYS 7 2HD LYS 7 0.862 -10.295 7.513 57 2HD LYS 7 1HD LYS 7 -0.814 -9.762 7.643 58 1HE LYS 7 2HE LYS 7 -1.308 -10.683 5.426 59 2HE LYS 7 1HE LYS 7 0.381 -11.145 5.230 60 1HZ LYS 7 1HZ LYS 7 -1.301 -12.120 7.462 61 2HZ LYS 7 2HZ LYS 7 0.216 -12.707 6.964 62 3HZ LYS 7 3HZ LYS 7 -1.155 -12.951 5.990 63 H GLU 8 H GLU 8 3.839 -6.368 6.585 64 HA GLU 8 HA GLU 8 2.096 -4.366 7.616 65 1HB GLU 8 2HB GLU 8 4.866 -5.233 8.093 66 2HB GLU 8 1HB GLU 8 4.594 -3.502 8.314 67 1HG GLU 8 2HG GLU 8 4.093 -4.340 10.438 68 2HG GLU 8 1HG GLU 8 2.502 -4.238 9.696 69 H LEU 9 H LEU 9 4.569 -4.450 5.176 70 HA LEU 9 HA LEU 9 4.800 -1.665 4.608 71 1HB LEU 9 2HB LEU 9 6.422 -3.260 3.752 72 2HB LEU 9 1HB LEU 9 5.165 -4.136 2.889 73 HG LEU 9 HG LEU 9 4.731 -1.934 1.628 74 1HD1 LEU 9 1HD1 LEU 9 7.488 -1.093 1.839 75 2HD1 LEU 9 2HD1 LEU 9 6.681 -0.942 3.406 76 3HD1 LEU 9 3HD1 LEU 9 6.023 -0.157 1.968 77 1HD2 LEU 9 1HD2 LEU 9 6.669 -2.368 0.119 78 2HD2 LEU 9 2HD2 LEU 9 5.751 -3.809 0.553 79 3HD2 LEU 9 3HD2 LEU 9 7.299 -3.485 1.333 80 H GLY 10 H GLY 10 2.629 -4.215 3.464 81 1HA GLY 10 2HA GLY 10 1.178 -2.479 1.733 82 2HA GLY 10 1HA GLY 10 0.731 -4.111 2.214 83 H TRP 11 H TRP 11 0.758 -3.877 4.965 84 HA TRP 11 HA TRP 11 -1.768 -2.824 5.309 85 1HB TRP 11 2HB TRP 11 -0.468 -4.586 6.765 86 2HB TRP 11 1HB TRP 11 -0.154 -3.152 7.743 87 HD1 TRP 11 HD TRP 11 -1.823 -3.654 9.641 88 HE1 TRP 11 1HE TRP 11 -4.388 -3.761 9.793 89 HE3 TRP 11 3HE TRP 11 -3.124 -3.621 4.660 90 HZ2 TRP 11 2HZ TRP 11 -6.654 -3.742 8.106 91 HZ3 TRP 11 3HZ TRP 11 -5.457 -3.628 3.977 92 HH2 TRP 11 HH TRP 11 -7.260 -3.706 5.699 93 H ALA 12 H ALA 12 1.303 -1.537 6.364 94 HA ALA 12 HA ALA 12 0.218 0.699 7.615 95 1HB ALA 12 1HB ALA 12 2.504 0.289 8.040 96 2HB ALA 12 2HB ALA 12 2.528 1.723 7.009 97 3HB ALA 12 3HB ALA 12 2.880 0.139 6.326 98 H THR 13 H THR 13 1.116 0.016 4.253 99 HA THR 13 HA THR 13 0.707 2.528 3.078 100 HB THR 13 HB THR 13 0.708 -0.290 2.211 101 HG1 THR 13 1HG THR 13 2.492 1.101 2.114 102 1HG2 THR 13 1HG2 THR 13 -1.392 0.405 1.169 103 2HG2 THR 13 2HG2 THR 13 -0.123 0.307 -0.051 104 3HG2 THR 13 3HG2 THR 13 -0.623 1.879 0.572 105 H TRP 14 H TRP 14 -1.529 -0.121 3.714 106 HA TRP 14 HA TRP 14 -3.852 1.085 2.664 107 1HB TRP 14 2HB TRP 14 -3.383 -1.345 3.257 108 2HB TRP 14 1HB TRP 14 -3.785 -0.909 4.909 109 HD1 TRP 14 HD TRP 14 -6.265 -0.761 5.524 110 HE1 TRP 14 1HE TRP 14 -8.465 -1.024 4.218 111 HE3 TRP 14 3HE TRP 14 -4.469 -0.736 0.721 112 HZ2 TRP 14 2HZ TRP 14 -9.330 -1.207 1.510 113 HZ3 TRP 14 3HZ TRP 14 -5.996 -0.963 -1.152 114 HH2 TRP 14 HH TRP 14 -8.386 -1.202 -0.767 115 H GLU 15 H GLU 15 -2.648 0.854 6.013 116 HA GLU 15 HA GLU 15 -4.860 2.139 7.189 117 1HB GLU 15 2HB GLU 15 -1.989 1.865 8.111 118 2HB GLU 15 1HB GLU 15 -3.287 2.505 9.120 119 1HG GLU 15 2HG GLU 15 -3.188 -0.278 7.874 120 2HG GLU 15 1HG GLU 15 -2.995 0.104 9.580 121 H ILE 16 H ILE 16 -1.892 3.356 5.757 122 HA ILE 16 HA ILE 16 -2.296 6.129 6.448 123 HB ILE 16 HB ILE 16 -0.662 4.791 4.236 124 1HG1 ILE 16 2HG1 ILE 16 0.334 5.995 6.816 125 2HG1 ILE 16 1HG1 ILE 16 -0.053 4.302 6.679 126 1HG2 ILE 16 1HG2 ILE 16 -0.276 6.849 3.423 127 2HG2 ILE 16 2HG2 ILE 16 0.468 7.280 4.956 128 3HG2 ILE 16 3HG2 ILE 16 -1.249 7.585 4.697 129 1HD1 ILE 16 1HD1 ILE 16 1.701 5.368 4.532 130 2HD1 ILE 16 2HD1 ILE 16 1.814 3.853 5.437 131 3HD1 ILE 16 3HD1 ILE 16 2.417 5.345 6.151 132 H PHE 17 H PHE 17 -3.116 3.961 3.818 133 HA PHE 17 HA PHE 17 -4.193 5.770 1.913 134 1HB PHE 17 2HB PHE 17 -3.611 3.127 1.953 135 2HB PHE 17 1HB PHE 17 -5.334 3.035 2.197 136 HD1 PHE 17 1HD PHE 17 -6.855 3.459 0.419 137 HD2 PHE 17 2HD PHE 17 -2.664 4.230 -0.106 138 HE1 PHE 17 1HE PHE 17 -7.197 3.624 -2.024 139 HE2 PHE 17 2HE PHE 17 -2.989 4.405 -2.552 140 HZ PHE 17 HZ PHE 17 -5.262 4.093 -3.505 141 H ASN 18 H ASN 18 -5.543 3.992 4.635 142 HA ASN 18 HA ASN 18 -8.260 4.924 4.148 143 1HB ASN 18 2HB ASN 18 -7.044 3.040 6.172 144 2HB ASN 18 1HB ASN 18 -8.746 3.489 6.177 145 1HD2 ASN 18 1HD2 ASN 18 -6.424 2.529 3.565 146 2HD2 ASN 18 2HD2 ASN 18 -7.452 1.355 2.902 147 H LEU 19 H LEU 19 -5.716 6.500 5.530 148 HA LEU 19 HA LEU 19 -6.846 7.232 8.028 149 1HB LEU 19 2HB LEU 19 -4.537 8.103 6.439 150 2HB LEU 19 1HB LEU 19 -5.211 9.339 7.500 151 HG LEU 19 HG LEU 19 -4.383 6.543 8.368 152 1HD1 LEU 19 1HD1 LEU 19 -2.693 7.928 9.671 153 2HD1 LEU 19 2HD1 LEU 19 -3.135 9.256 8.607 154 3HD1 LEU 19 3HD1 LEU 19 -2.431 7.788 7.940 155 1HD2 LEU 19 1HD2 LEU 19 -6.081 8.502 9.601 156 2HD2 LEU 19 2HD2 LEU 19 -4.598 8.380 10.531 157 3HD2 LEU 19 3HD2 LEU 19 -5.576 6.941 10.230 158 HA PRO 20 HA PRO 20 -9.914 9.947 6.368 159 1HB PRO 20 2HB PRO 20 -10.479 10.967 9.012 160 2HB PRO 20 1HB PRO 20 -11.399 9.796 8.056 161 1HG PRO 20 2HG PRO 20 -10.061 9.218 10.357 162 2HG PRO 20 1HG PRO 20 -10.432 8.033 9.091 163 1HD PRO 20 2HD PRO 20 -7.870 9.480 9.623 164 2HD PRO 20 1HD PRO 20 -8.132 7.798 9.146 165 H ASN 21 H ASN 21 -6.939 11.243 7.169 166 HA ASN 21 HA ASN 21 -8.048 13.943 6.615 167 1HB ASN 21 2HB ASN 21 -6.232 13.421 8.960 168 2HB ASN 21 1HB ASN 21 -6.684 15.006 8.370 169 1HD2 ASN 21 1HD2 ASN 21 -7.542 12.668 10.635 170 2HD2 ASN 21 2HD2 ASN 21 -9.144 13.158 10.905 171 H LEU 22 H LEU 22 -5.732 11.690 5.853 172 HA LEU 22 HA LEU 22 -3.602 13.560 5.223 173 1HB LEU 22 2HB LEU 22 -3.976 10.679 4.394 174 2HB LEU 22 1HB LEU 22 -2.501 11.629 4.197 175 HG LEU 22 HG LEU 22 -3.840 11.014 6.845 176 1HD1 LEU 22 1HD1 LEU 22 -1.486 9.824 5.397 177 2HD1 LEU 22 2HD1 LEU 22 -2.864 9.007 6.127 178 3HD1 LEU 22 3HD1 LEU 22 -1.636 9.748 7.149 179 1HD2 LEU 22 1HD2 LEU 22 -1.561 12.737 6.005 180 2HD2 LEU 22 2HD2 LEU 22 -1.338 11.772 7.459 181 3HD2 LEU 22 3HD2 LEU 22 -2.671 12.924 7.370 182 H ASN 23 H ASN 23 -2.928 14.208 3.160 183 HA ASN 23 HA ASN 23 -5.113 14.202 1.186 184 1HB ASN 23 2HB ASN 23 -4.049 16.073 0.146 185 2HB ASN 23 1HB ASN 23 -4.061 16.384 1.876 186 1HD2 ASN 23 1HD2 ASN 23 -2.191 17.476 -0.186 187 2HD2 ASN 23 2HD2 ASN 23 -0.638 17.018 0.322 188 H GLY 24 H GLY 24 -4.458 13.968 -1.116 189 1HA GLY 24 2HA GLY 24 -3.503 11.467 -1.680 190 2HA GLY 24 1HA GLY 24 -3.472 12.792 -2.834 191 H VAL 25 H VAL 25 -1.586 14.420 -1.302 192 HA VAL 25 HA VAL 25 0.837 13.256 -2.306 193 HB VAL 25 HB VAL 25 0.340 15.768 -0.714 194 1HG1 VAL 25 1HG1 VAL 25 2.678 16.299 -1.748 195 2HG1 VAL 25 2HG1 VAL 25 2.829 14.548 -1.907 196 3HG1 VAL 25 3HG1 VAL 25 2.620 15.275 -0.313 197 1HG2 VAL 25 1HG2 VAL 25 0.929 16.705 -3.060 198 2HG2 VAL 25 2HG2 VAL 25 -0.660 15.964 -2.864 199 3HG2 VAL 25 3HG2 VAL 25 0.645 15.060 -3.638 200 H GLN 26 H GLN 26 -0.276 14.012 1.053 201 HA GLN 26 HA GLN 26 2.057 13.045 2.266 202 1HB GLN 26 2HB GLN 26 -0.679 13.666 3.180 203 2HB GLN 26 1HB GLN 26 0.268 12.594 4.203 204 1HG GLN 26 2HG GLN 26 1.790 14.213 4.764 205 2HG GLN 26 1HG GLN 26 1.719 14.973 3.169 206 1HE2 GLN 26 1HE2 GLN 26 -0.264 14.519 6.091 207 2HE2 GLN 26 2HE2 GLN 26 -1.023 16.032 6.002 208 H VAL 27 H VAL 27 -0.979 11.400 1.459 209 HA VAL 27 HA VAL 27 -0.275 8.890 2.581 210 HB VAL 27 HB VAL 27 -2.071 9.456 0.198 211 1HG1 VAL 27 1HG1 VAL 27 -3.094 7.265 0.854 212 2HG1 VAL 27 2HG1 VAL 27 -1.800 7.054 2.036 213 3HG1 VAL 27 3HG1 VAL 27 -1.424 7.099 0.313 214 1HG2 VAL 27 1HG2 VAL 27 -2.817 10.657 2.205 215 2HG2 VAL 27 2HG2 VAL 27 -2.673 9.188 3.166 216 3HG2 VAL 27 3HG2 VAL 27 -3.893 9.297 1.897 217 H LYS 28 H LYS 28 0.104 10.270 -0.646 218 HA LYS 28 HA LYS 28 1.351 8.076 -1.900 219 1HB LYS 28 2HB LYS 28 0.388 10.058 -3.082 220 2HB LYS 28 1HB LYS 28 1.717 11.046 -2.483 221 1HG LYS 28 2HG LYS 28 3.292 9.426 -3.639 222 2HG LYS 28 1HG LYS 28 1.870 8.673 -4.365 223 1HD LYS 28 2HD LYS 28 1.239 10.796 -5.413 224 2HD LYS 28 1HD LYS 28 2.604 11.607 -4.644 225 1HE LYS 28 2HE LYS 28 2.920 9.250 -6.526 226 2HE LYS 28 1HE LYS 28 2.996 10.930 -7.054 227 1HZ LYS 28 1HZ LYS 28 5.019 11.192 -6.182 228 2HZ LYS 28 2HZ LYS 28 5.093 9.495 -6.149 229 3HZ LYS 28 3HZ LYS 28 4.636 10.356 -4.758 230 H ALA 29 H ALA 29 2.591 10.685 0.092 231 HA ALA 29 HA ALA 29 5.350 10.231 -0.379 232 1HB ALA 29 1HB ALA 29 5.726 11.729 1.429 233 2HB ALA 29 2HB ALA 29 4.100 11.463 2.054 234 3HB ALA 29 3HB ALA 29 4.332 12.336 0.539 235 H PHE 30 H PHE 30 3.087 9.242 2.130 236 HA PHE 30 HA PHE 30 4.965 7.910 3.711 237 1HB PHE 30 2HB PHE 30 1.985 7.508 3.450 238 2HB PHE 30 1HB PHE 30 2.994 6.808 4.714 239 HD1 PHE 30 1HD PHE 30 4.833 8.936 5.481 240 HD2 PHE 30 2HD PHE 30 0.646 9.222 4.444 241 HE1 PHE 30 1HE PHE 30 4.634 11.020 6.776 242 HE2 PHE 30 2HE PHE 30 0.483 11.290 5.766 243 HZ PHE 30 HZ PHE 30 2.468 12.184 6.916 244 H ILE 31 H ILE 31 2.962 7.006 0.955 245 HA ILE 31 HA ILE 31 3.659 4.261 0.993 246 HB ILE 31 HB ILE 31 2.623 6.047 -1.207 247 1HG1 ILE 31 2HG1 ILE 31 1.374 3.753 0.348 248 2HG1 ILE 31 1HG1 ILE 31 1.081 5.461 0.656 249 1HG2 ILE 31 1HG2 ILE 31 2.278 3.260 -1.841 250 2HG2 ILE 31 2HG2 ILE 31 3.990 3.534 -1.553 251 3HG2 ILE 31 3HG2 ILE 31 3.137 4.487 -2.765 252 1HD1 ILE 31 1HD1 ILE 31 0.521 4.080 -1.977 253 2HD1 ILE 31 2HD1 ILE 31 0.107 5.741 -1.552 254 3HD1 ILE 31 3HD1 ILE 31 -0.692 4.396 -0.741 255 H ASP 32 H ASP 32 4.955 7.110 -0.621 256 HA ASP 32 HA ASP 32 6.946 5.851 -2.124 257 1HB ASP 32 2HB ASP 32 6.544 8.609 -1.066 258 2HB ASP 32 1HB ASP 32 8.157 8.194 -1.633 259 H SER 33 H SER 33 6.998 7.107 1.122 260 HA SER 33 HA SER 33 9.705 6.541 1.744 261 1HB SER 33 2HB SER 33 7.270 6.818 3.535 262 2HB SER 33 1HB SER 33 8.949 6.811 4.088 263 HG SER 33 HG SER 33 7.763 8.634 2.259 264 H LEU 34 H LEU 34 6.711 4.757 1.992 265 HA LEU 34 HA LEU 34 7.525 2.450 3.437 266 1HB LEU 34 2HB LEU 34 5.330 3.327 1.677 267 2HB LEU 34 1HB LEU 34 5.634 1.621 1.657 268 HG LEU 34 HG LEU 34 5.601 2.721 4.344 269 1HD1 LEU 34 1HD1 LEU 34 3.294 3.135 2.488 270 2HD1 LEU 34 2HD1 LEU 34 3.846 4.155 3.811 271 3HD1 LEU 34 3HD1 LEU 34 2.964 2.674 4.152 272 1HD2 LEU 34 1HD2 LEU 34 5.560 0.407 4.081 273 2HD2 LEU 34 2HD2 LEU 34 4.357 0.472 2.810 274 3HD2 LEU 34 3HD2 LEU 34 3.899 0.800 4.483 275 H ARG 35 H ARG 35 7.270 3.026 -0.065 276 HA ARG 35 HA ARG 35 8.370 0.568 -0.930 277 1HB ARG 35 2HB ARG 35 9.144 2.880 -2.594 278 2HB ARG 35 1HB ARG 35 8.294 1.410 -3.044 279 1HG ARG 35 2HG ARG 35 6.268 2.420 -1.830 280 2HG ARG 35 1HG ARG 35 7.179 3.918 -1.838 281 1HD ARG 35 2HD ARG 35 5.932 4.149 -3.776 282 2HD ARG 35 1HD ARG 35 7.418 3.445 -4.407 283 HE ARG 35 HE ARG 35 4.821 2.130 -4.161 284 1HH1 ARG 35 1HH2 ARG 35 6.320 2.036 -6.711 285 2HH1 ARG 35 2HH2 ARG 35 7.042 0.461 -6.675 286 1HH2 ARG 35 1HH1 ARG 35 6.578 0.065 -3.267 287 2HH2 ARG 35 2HH1 ARG 35 7.183 -0.659 -4.725 288 H ASP 36 H ASP 36 9.893 3.694 -0.293 289 HA ASP 36 HA ASP 36 12.534 3.038 -0.985 290 1HB ASP 36 2HB ASP 36 11.627 5.342 -0.686 291 2HB ASP 36 1HB ASP 36 11.635 5.044 1.041 292 H ASP 37 H ASP 37 10.716 2.767 1.985 293 HA ASP 37 HA ASP 37 12.672 0.902 3.038 294 1HB ASP 37 2HB ASP 37 13.345 3.271 3.769 295 2HB ASP 37 1HB ASP 37 11.897 3.246 4.770 296 HA PRO 38 HA PRO 38 8.485 -0.449 3.948 297 1HB PRO 38 2HB PRO 38 9.516 -3.117 4.049 298 2HB PRO 38 1HB PRO 38 8.466 -2.389 2.847 299 1HG PRO 38 2HG PRO 38 11.097 -3.168 2.472 300 2HG PRO 38 1HG PRO 38 10.147 -2.128 1.401 301 1HD PRO 38 2HD PRO 38 12.279 -1.395 3.309 302 2HD PRO 38 1HD PRO 38 11.681 -0.521 1.880 303 H SER 39 H SER 39 11.480 -1.289 5.551 304 HA SER 39 HA SER 39 10.401 -2.473 7.882 305 1HB SER 39 2HB SER 39 12.936 -0.819 7.731 306 2HB SER 39 1HB SER 39 12.553 -2.086 8.891 307 HG SER 39 HG SER 39 13.177 -2.278 6.149 308 H GLN 40 H GLN 40 10.759 0.762 6.730 309 HA GLN 40 HA GLN 40 10.121 2.028 9.256 310 1HB GLN 40 2HB GLN 40 11.410 2.810 6.858 311 2HB GLN 40 1HB GLN 40 9.972 3.810 6.996 312 1HG GLN 40 2HG GLN 40 11.618 5.010 8.184 313 2HG GLN 40 1HG GLN 40 10.698 4.196 9.444 314 1HE2 GLN 40 1HE2 GLN 40 13.513 3.394 7.310 315 2HE2 GLN 40 2HE2 GLN 40 14.426 2.684 8.552 316 H SER 41 H SER 41 8.304 0.483 6.962 317 HA SER 41 HA SER 41 6.225 2.080 6.198 318 1HB SER 41 2HB SER 41 4.882 0.040 6.122 319 2HB SER 41 1HB SER 41 6.521 -0.308 5.598 320 HG SER 41 HG SER 41 6.919 -1.307 7.491 321 H ALA 42 H ALA 42 6.611 0.525 9.368 322 HA ALA 42 HA ALA 42 4.053 1.199 10.402 323 1HB ALA 42 1HB ALA 42 6.659 0.761 11.865 324 2HB ALA 42 2HB ALA 42 5.556 -0.524 11.371 325 3HB ALA 42 3HB ALA 42 5.043 0.669 12.565 326 H ASN 43 H ASN 43 7.159 2.765 10.258 327 HA ASN 43 HA ASN 43 6.677 4.894 12.039 328 1HB ASN 43 2HB ASN 43 8.868 3.955 11.125 329 2HB ASN 43 1HB ASN 43 8.537 4.901 9.684 330 1HD2 ASN 43 1HD2 ASN 43 10.827 5.598 10.988 331 2HD2 ASN 43 2HD2 ASN 43 10.633 7.044 11.855 332 H LEU 44 H LEU 44 6.216 4.383 8.662 333 HA LEU 44 HA LEU 44 5.612 7.078 7.907 334 1HB LEU 44 2HB LEU 44 5.097 4.436 6.499 335 2HB LEU 44 1HB LEU 44 5.160 6.043 5.745 336 HG LEU 44 HG LEU 44 7.430 4.943 7.391 337 1HD1 LEU 44 1HD1 LEU 44 7.644 3.446 5.746 338 2HD1 LEU 44 2HD1 LEU 44 8.468 4.797 4.973 339 3HD1 LEU 44 3HD1 LEU 44 6.786 4.439 4.568 340 1HD2 LEU 44 1HD2 LEU 44 8.654 6.702 6.104 341 2HD2 LEU 44 2HD2 LEU 44 7.462 7.264 7.279 342 3HD2 LEU 44 3HD2 LEU 44 7.073 7.262 5.560 343 H LEU 45 H LEU 45 3.988 4.229 8.788 344 HA LEU 45 HA LEU 45 1.299 5.141 8.425 345 1HB LEU 45 2HB LEU 45 1.580 2.788 8.590 346 2HB LEU 45 1HB LEU 45 2.592 2.926 10.021 347 HG LEU 45 HG LEU 45 0.664 3.693 11.336 348 1HD1 LEU 45 1HD1 LEU 45 -0.756 3.487 8.675 349 2HD1 LEU 45 2HD1 LEU 45 -0.657 4.878 9.751 350 3HD1 LEU 45 3HD1 LEU 45 -1.624 3.479 10.209 351 1HD2 LEU 45 1HD2 LEU 45 -0.648 1.573 11.236 352 2HD2 LEU 45 2HD2 LEU 45 1.094 1.304 11.221 353 3HD2 LEU 45 3HD2 LEU 45 0.171 1.171 9.724 354 H ALA 46 H ALA 46 3.724 5.183 10.907 355 HA ALA 46 HA ALA 46 2.224 6.245 13.036 356 1HB ALA 46 1HB ALA 46 5.116 6.916 12.658 357 2HB ALA 46 2HB ALA 46 4.669 5.236 12.947 358 3HB ALA 46 3HB ALA 46 4.270 6.468 14.141 359 H GLU 47 H GLU 47 4.263 7.638 10.584 360 HA GLU 47 HA GLU 47 4.063 10.345 11.295 361 1HB GLU 47 2HB GLU 47 4.734 8.787 8.830 362 2HB GLU 47 1HB GLU 47 4.612 10.544 8.752 363 1HG GLU 47 2HG GLU 47 6.486 8.905 10.462 364 2HG GLU 47 1HG GLU 47 6.909 9.925 9.093 365 H ALA 48 H ALA 48 2.267 8.219 9.201 366 HA ALA 48 HA ALA 48 0.632 10.157 7.997 367 1HB ALA 48 1HB ALA 48 0.253 7.208 8.484 368 2HB ALA 48 2HB ALA 48 1.070 7.933 7.103 369 3HB ALA 48 3HB ALA 48 -0.649 8.171 7.322 370 H LYS 49 H LYS 49 0.192 7.968 10.748 371 HA LYS 49 HA LYS 49 -2.422 8.802 11.438 372 1HB LYS 49 2HB LYS 49 -0.181 7.652 13.128 373 2HB LYS 49 1HB LYS 49 -1.819 7.920 13.724 374 1HG LYS 49 2HG LYS 49 -1.363 6.316 11.212 375 2HG LYS 49 1HG LYS 49 -1.189 5.556 12.791 376 1HD LYS 49 2HD LYS 49 -3.478 6.137 13.377 377 2HD LYS 49 1HD LYS 49 -3.662 7.064 11.890 378 1HE LYS 49 2HE LYS 49 -3.372 5.030 10.549 379 2HE LYS 49 1HE LYS 49 -3.113 4.083 12.016 380 1HZ LYS 49 1HZ LYS 49 -5.551 5.688 11.827 381 2HZ LYS 49 2HZ LYS 49 -5.292 4.191 12.589 382 3HZ LYS 49 3HZ LYS 49 -5.467 4.270 10.900 383 H LYS 50 H LYS 50 0.791 10.082 12.015 384 HA LYS 50 HA LYS 50 -0.026 11.995 13.954 385 1HB LYS 50 2HB LYS 50 2.297 11.091 13.740 386 2HB LYS 50 1HB LYS 50 2.446 11.970 12.223 387 1HG LYS 50 2HG LYS 50 2.078 14.102 13.398 388 2HG LYS 50 1HG LYS 50 1.873 13.234 14.921 389 1HD LYS 50 2HD LYS 50 4.138 13.915 14.969 390 2HD LYS 50 1HD LYS 50 4.210 12.233 14.442 391 1HE LYS 50 2HE LYS 50 4.229 13.077 12.053 392 2HE LYS 50 1HE LYS 50 4.408 14.707 12.700 393 1HZ LYS 50 1HZ LYS 50 6.563 13.893 12.237 394 2HZ LYS 50 2HZ LYS 50 6.264 12.418 13.023 395 3HZ LYS 50 3HZ LYS 50 6.391 13.853 13.924 396 H LEU 51 H LEU 51 0.519 11.979 10.506 397 HA LEU 51 HA LEU 51 0.095 14.755 10.138 398 1HB LEU 51 2HB LEU 51 0.424 12.390 8.382 399 2HB LEU 51 1HB LEU 51 -0.478 13.741 7.705 400 HG LEU 51 HG LEU 51 1.839 14.024 7.138 401 1HD1 LEU 51 1HD1 LEU 51 1.659 15.995 9.354 402 2HD1 LEU 51 2HD1 LEU 51 0.331 15.971 8.194 403 3HD1 LEU 51 3HD1 LEU 51 1.981 16.247 7.639 404 1HD2 LEU 51 1HD2 LEU 51 3.432 14.455 9.193 405 2HD2 LEU 51 2HD2 LEU 51 3.122 12.807 8.663 406 3HD2 LEU 51 3HD2 LEU 51 2.263 13.457 10.058 407 H ASN 52 H ASN 52 -1.905 11.900 9.930 408 HA ASN 52 HA ASN 52 -4.267 13.134 9.007 409 1HB ASN 52 2HB ASN 52 -4.193 10.804 8.809 410 2HB ASN 52 1HB ASN 52 -3.659 10.574 10.468 411 1HD2 ASN 52 1HD2 ASN 52 -5.289 10.295 12.053 412 2HD2 ASN 52 2HD2 ASN 52 -6.948 10.406 11.716 413 H ASP 53 H ASP 53 -3.026 12.301 12.214 414 HA ASP 53 HA ASP 53 -5.228 13.268 13.669 415 1HB ASP 53 2HB ASP 53 -2.341 12.879 14.445 416 2HB ASP 53 1HB ASP 53 -3.571 13.406 15.588 417 H ALA 54 H ALA 54 -2.269 14.770 12.536 418 HA ALA 54 HA ALA 54 -2.589 17.272 13.803 419 1HB ALA 54 1HB ALA 54 -1.084 16.397 11.336 420 2HB ALA 54 2HB ALA 54 -0.431 16.695 12.946 421 3HB ALA 54 3HB ALA 54 -1.013 18.043 11.967 422 H GLN 55 H GLN 55 -3.641 15.912 10.723 423 HA GLN 55 HA GLN 55 -4.876 18.402 9.847 424 1HB GLN 55 2HB GLN 55 -4.652 15.623 8.701 425 2HB GLN 55 1HB GLN 55 -5.622 16.886 7.934 426 1HG GLN 55 2HG GLN 55 -3.696 18.305 7.652 427 2HG GLN 55 1HG GLN 55 -2.698 17.244 8.646 428 1HE2 GLN 55 1HE2 GLN 55 -2.767 14.827 7.740 429 2HE2 GLN 55 2HE2 GLN 55 -2.533 14.699 6.064 430 H ALA 56 H ALA 56 -5.735 16.034 12.008 431 HA ALA 56 HA ALA 56 -8.482 15.628 11.308 432 1HB ALA 56 1HB ALA 56 -7.220 15.324 14.041 433 2HB ALA 56 2HB ALA 56 -7.144 14.090 12.786 434 3HB ALA 56 3HB ALA 56 -8.701 14.564 13.459 435 HA PRO 57 HA PRO 57 -10.462 19.401 12.313 436 1HB PRO 57 2HB PRO 57 -12.530 18.117 13.828 437 2HB PRO 57 1HB PRO 57 -12.583 18.686 12.155 438 1HG PRO 57 2HG PRO 57 -12.088 15.996 13.204 439 2HG PRO 57 1HG PRO 57 -12.810 16.509 11.668 440 1HD PRO 57 2HD PRO 57 -10.353 15.504 11.716 441 2HD PRO 57 1HD PRO 57 -10.743 16.892 10.674 442 H LYS 58 H LYS 58 -10.690 20.790 13.901 443 HA LYS 58 HA LYS 58 -10.231 20.046 16.703 444 1HB LYS 58 2HB LYS 58 -8.599 22.037 15.180 445 2HB LYS 58 1HB LYS 58 -8.584 21.906 16.931 446 1HG LYS 58 2HG LYS 58 -7.868 19.535 16.725 447 2HG LYS 58 1HG LYS 58 -7.839 19.713 14.973 448 1HD LYS 58 2HD LYS 58 -6.149 21.515 15.194 449 2HD LYS 58 1HD LYS 58 -6.142 21.272 16.941 450 1HE LYS 58 2HE LYS 58 -4.268 20.065 15.853 451 2HE LYS 58 1HE LYS 58 -5.387 18.948 16.634 452 1HZ LYS 58 1HZ LYS 58 -6.100 18.138 14.665 453 2HZ LYS 58 2HZ LYS 58 -4.568 18.650 14.138 454 3HZ LYS 58 3HZ LYS 58 -5.937 19.616 13.852 455 1H VAL 1 1HT VAL 1 -18.127 -2.640 2.315 456 2H VAL 1 2HT VAL 1 -17.453 -3.721 1.192 457 3H VAL 1 3HT VAL 1 -16.626 -2.296 1.604 458 HA VAL 1 HA VAL 1 -16.133 -3.051 3.754 459 HB VAL 1 HB VAL 1 -18.396 -4.037 4.148 460 1HG1 VAL 1 1HG1 VAL 1 -18.462 -5.322 1.974 461 2HG1 VAL 1 2HG1 VAL 1 -18.929 -6.269 3.385 462 3HG1 VAL 1 3HG1 VAL 1 -17.325 -6.469 2.682 463 1HG2 VAL 1 1HG2 VAL 1 -16.237 -6.085 4.728 464 2HG2 VAL 1 2HG2 VAL 1 -17.663 -5.711 5.695 465 3HG2 VAL 1 3HG2 VAL 1 -16.342 -4.548 5.587 466 H ASP 2 H ASP 2 -14.423 -4.530 4.225 467 HA ASP 2 HA ASP 2 -12.942 -5.367 1.909 468 1HB ASP 2 2HB ASP 2 -12.412 -5.898 4.850 469 2HB ASP 2 1HB ASP 2 -11.260 -6.115 3.538 470 H ASN 3 H ASN 3 -12.811 -7.358 1.015 471 HA ASN 3 HA ASN 3 -14.659 -9.388 1.771 472 1HB ASN 3 2HB ASN 3 -12.331 -9.587 -0.155 473 2HB ASN 3 1HB ASN 3 -13.705 -10.684 -0.061 474 1HD2 ASN 3 1HD2 ASN 3 -15.641 -8.395 0.388 475 2HD2 ASN 3 2HD2 ASN 3 -15.797 -7.654 -1.131 476 H LYS 4 H LYS 4 -13.753 -11.737 1.834 477 HA LYS 4 HA LYS 4 -12.484 -12.226 4.262 478 1HB LYS 4 2HB LYS 4 -11.893 -14.493 3.067 479 2HB LYS 4 1HB LYS 4 -13.575 -14.089 3.404 480 1HG LYS 4 2HG LYS 4 -14.070 -13.650 1.178 481 2HG LYS 4 1HG LYS 4 -12.422 -13.171 0.789 482 1HD LYS 4 2HD LYS 4 -12.929 -15.324 -0.261 483 2HD LYS 4 1HD LYS 4 -11.706 -15.542 0.992 484 1HE LYS 4 2HE LYS 4 -13.263 -16.438 2.518 485 2HE LYS 4 1HE LYS 4 -14.638 -15.884 1.568 486 1HZ LYS 4 1HZ LYS 4 -12.672 -17.908 0.643 487 2HZ LYS 4 2HZ LYS 4 -14.102 -17.444 -0.148 488 3HZ LYS 4 3HZ LYS 4 -14.178 -18.286 1.325 489 H PHE 5 H PHE 5 -11.200 -11.839 1.063 490 HA PHE 5 HA PHE 5 -8.516 -12.552 1.535 491 1HB PHE 5 2HB PHE 5 -10.023 -11.080 -0.593 492 2HB PHE 5 1HB PHE 5 -8.266 -10.988 -0.598 493 HD1 PHE 5 1HD PHE 5 -10.459 -13.828 0.465 494 HD2 PHE 5 2HD PHE 5 -7.636 -12.347 -2.419 495 HE1 PHE 5 1HE PHE 5 -10.359 -16.067 -0.595 496 HE2 PHE 5 2HE PHE 5 -7.536 -14.587 -3.469 497 HZ PHE 5 HZ PHE 5 -8.895 -16.449 -2.559 498 H ASN 6 H ASN 6 -9.815 -10.347 3.381 499 HA ASN 6 HA ASN 6 -8.441 -7.919 2.907 500 1HB ASN 6 2HB ASN 6 -10.290 -8.257 4.597 501 2HB ASN 6 1HB ASN 6 -9.111 -9.059 5.632 502 1HD2 ASN 6 1HD2 ASN 6 -8.651 -6.157 3.547 503 2HD2 ASN 6 2HD2 ASN 6 -8.219 -5.127 4.825 504 H LYS 7 H LYS 7 -7.510 -10.782 4.801 505 HA LYS 7 HA LYS 7 -4.966 -9.843 5.632 506 1HB LYS 7 2HB LYS 7 -6.044 -11.844 6.606 507 2HB LYS 7 1HB LYS 7 -5.891 -12.678 5.061 508 1HG LYS 7 2HG LYS 7 -3.440 -12.512 5.186 509 2HG LYS 7 1HG LYS 7 -3.562 -11.616 6.699 510 1HD LYS 7 2HD LYS 7 -3.206 -13.753 7.528 511 2HD LYS 7 1HD LYS 7 -4.966 -13.747 7.459 512 1HE LYS 7 2HE LYS 7 -3.224 -14.761 5.192 513 2HE LYS 7 1HE LYS 7 -3.857 -15.805 6.462 514 1HZ LYS 7 1HZ LYS 7 -5.238 -14.528 4.249 515 2HZ LYS 7 2HZ LYS 7 -6.071 -14.540 5.731 516 3HZ LYS 7 3HZ LYS 7 -5.561 -16.000 5.029 517 H GLU 8 H GLU 8 -6.112 -11.632 2.842 518 HA GLU 8 HA GLU 8 -3.623 -12.027 1.542 519 1HB GLU 8 2HB GLU 8 -6.472 -11.950 0.470 520 2HB GLU 8 1HB GLU 8 -5.071 -12.537 -0.433 521 1HG GLU 8 2HG GLU 8 -6.165 -13.678 2.161 522 2HG GLU 8 1HG GLU 8 -6.226 -14.439 0.573 523 H ARG 9 H ARG 9 -5.976 -9.439 1.557 524 HA ARG 9 HA ARG 9 -5.019 -8.034 -0.705 525 1HB ARG 9 2HB ARG 9 -7.281 -7.691 0.163 526 2HB ARG 9 1HB ARG 9 -6.623 -7.075 1.678 527 1HG ARG 9 2HG ARG 9 -5.577 -5.204 0.503 528 2HG ARG 9 1HG ARG 9 -6.122 -5.837 -1.042 529 1HD ARG 9 2HD ARG 9 -7.623 -4.056 -0.302 530 2HD ARG 9 1HD ARG 9 -8.473 -5.598 -0.278 531 HE ARG 9 HE ARG 9 -7.387 -5.269 2.262 532 1HH1 ARG 9 1HH2 ARG 9 -10.135 -4.507 0.427 533 2HH1 ARG 9 2HH2 ARG 9 -10.841 -3.465 1.617 534 1HH2 ARG 9 1HH1 ARG 9 -8.070 -3.528 3.694 535 2HH2 ARG 9 2HH1 ARG 9 -9.670 -2.908 3.464 536 H VAL 10 H VAL 10 -4.392 -7.896 2.781 537 HA VAL 10 HA VAL 10 -2.838 -5.567 2.875 538 HB VAL 10 HB VAL 10 -2.445 -8.031 4.558 539 1HG1 VAL 10 1HG1 VAL 10 -0.669 -6.662 5.061 540 2HG1 VAL 10 2HG1 VAL 10 -1.868 -6.123 6.244 541 3HG1 VAL 10 3HG1 VAL 10 -1.582 -5.184 4.776 542 1HG2 VAL 10 1HG2 VAL 10 -4.536 -7.704 5.339 543 2HG2 VAL 10 2HG2 VAL 10 -4.735 -6.254 4.363 544 3HG2 VAL 10 3HG2 VAL 10 -4.004 -6.145 5.976 545 H ILE 11 H ILE 11 -1.976 -8.891 2.068 546 HA ILE 11 HA ILE 11 0.832 -8.387 1.893 547 HB ILE 11 HB ILE 11 -0.775 -10.616 0.616 548 1HG1 ILE 11 2HG1 ILE 11 0.139 -10.046 3.396 549 2HG1 ILE 11 1HG1 ILE 11 -1.193 -11.054 2.837 550 1HG2 ILE 11 1HG2 ILE 11 1.359 -11.779 0.487 551 2HG2 ILE 11 2HG2 ILE 11 2.173 -10.476 1.353 552 3HG2 ILE 11 3HG2 ILE 11 1.560 -10.204 -0.278 553 1HD1 ILE 11 1HD1 ILE 11 0.602 -12.734 2.065 554 2HD1 ILE 11 2HD1 ILE 11 0.370 -12.576 3.803 555 3HD1 ILE 11 3HD1 ILE 11 1.743 -11.784 3.022 556 H ALA 12 H ALA 12 -1.862 -8.324 -0.436 557 HA ALA 12 HA ALA 12 -0.262 -7.893 -2.762 558 1HB ALA 12 1HB ALA 12 -3.146 -7.224 -2.131 559 2HB ALA 12 2HB ALA 12 -2.562 -8.638 -3.005 560 3HB ALA 12 3HB ALA 12 -2.407 -7.031 -3.720 561 H ILE 13 H ILE 13 -1.903 -5.785 -0.459 562 HA ILE 13 HA ILE 13 -1.341 -3.321 -1.689 563 HB ILE 13 HB ILE 13 -1.501 -4.006 1.280 564 1HG1 ILE 13 2HG1 ILE 13 -3.668 -2.668 -0.319 565 2HG1 ILE 13 1HG1 ILE 13 -3.564 -4.417 -0.289 566 1HG2 ILE 13 1HG2 ILE 13 -2.118 -1.591 1.505 567 2HG2 ILE 13 2HG2 ILE 13 -1.668 -1.364 -0.187 568 3HG2 ILE 13 3HG2 ILE 13 -0.449 -1.843 0.989 569 1HD1 ILE 13 1HD1 ILE 13 -4.107 -4.530 1.938 570 2HD1 ILE 13 2HD1 ILE 13 -4.986 -3.080 1.491 571 3HD1 ILE 13 3HD1 ILE 13 -3.415 -2.951 2.285 572 H GLY 14 H GLY 14 0.426 -5.456 0.448 573 1HA GLY 14 2HA GLY 14 2.768 -3.843 0.754 574 2HA GLY 14 1HA GLY 14 2.621 -5.561 1.111 575 H GLU 15 H GLU 15 1.825 -6.414 -1.478 576 HA GLU 15 HA GLU 15 4.350 -6.836 -2.621 577 1HB GLU 15 2HB GLU 15 2.239 -8.263 -2.778 578 2HB GLU 15 1HB GLU 15 1.739 -7.181 -4.050 579 1HG GLU 15 2HG GLU 15 2.879 -9.119 -5.048 580 2HG GLU 15 1HG GLU 15 3.844 -7.674 -5.311 581 H ILE 16 H ILE 16 1.658 -4.659 -3.433 582 HA ILE 16 HA ILE 16 2.816 -3.644 -5.835 583 HB ILE 16 HB ILE 16 1.518 -1.688 -3.921 584 1HG1 ILE 16 2HG1 ILE 16 0.051 -3.683 -3.862 585 2HG1 ILE 16 1HG1 ILE 16 -0.717 -2.315 -4.626 586 1HG2 ILE 16 1HG2 ILE 16 0.597 -0.779 -6.012 587 2HG2 ILE 16 2HG2 ILE 16 1.360 -2.073 -6.925 588 3HG2 ILE 16 3HG2 ILE 16 2.350 -0.891 -6.079 589 1HD1 ILE 16 1HD1 ILE 16 -1.051 -4.458 -5.858 590 2HD1 ILE 16 2HD1 ILE 16 0.689 -4.508 -6.141 591 3HD1 ILE 16 3HD1 ILE 16 -0.278 -3.191 -6.812 592 H MET 17 H MET 17 3.083 -2.602 -2.496 593 HA MET 17 HA MET 17 4.947 -0.513 -2.781 594 1HB MET 17 2HB MET 17 4.465 -2.244 -0.377 595 2HB MET 17 1HB MET 17 5.116 -0.600 -0.408 596 1HG MET 17 2HG MET 17 2.389 -1.302 -1.485 597 2HG MET 17 1HG MET 17 2.645 -0.760 0.164 598 1HE MET 17 1HE MET 17 3.599 2.560 0.231 599 2HE MET 17 2HE MET 17 5.037 1.793 -0.450 600 3HE MET 17 3HE MET 17 4.044 0.906 0.729 601 H ARG 18 H ARG 18 5.364 -3.997 -2.632 602 HA ARG 18 HA ARG 18 8.144 -3.994 -1.975 603 1HB ARG 18 2HB ARG 18 6.381 -6.026 -3.273 604 2HB ARG 18 1HB ARG 18 8.078 -6.314 -2.977 605 1HG ARG 18 2HG ARG 18 6.451 -5.333 -0.687 606 2HG ARG 18 1HG ARG 18 6.175 -6.989 -1.213 607 1HD ARG 18 2HD ARG 18 8.933 -5.890 -0.631 608 2HD ARG 18 1HD ARG 18 7.942 -6.677 0.592 609 HE ARG 18 HE ARG 18 9.472 -7.997 -1.388 610 1HH1 ARG 18 1HH1 ARG 18 8.422 -9.351 1.078 611 2HH1 ARG 18 2HH1 ARG 18 7.288 -10.483 0.424 612 1HH2 ARG 18 1HH2 ARG 18 7.102 -8.916 -2.657 613 2HH2 ARG 18 2HH2 ARG 18 6.540 -10.236 -1.686 614 H LEU 19 H LEU 19 6.267 -3.899 -4.939 615 HA LEU 19 HA LEU 19 8.336 -4.325 -6.802 616 1HB LEU 19 2HB LEU 19 5.819 -2.707 -7.118 617 2HB LEU 19 1HB LEU 19 6.822 -3.272 -8.419 618 HG LEU 19 HG LEU 19 5.465 -5.098 -6.434 619 1HD1 LEU 19 1HD1 LEU 19 3.880 -5.564 -8.285 620 2HD1 LEU 19 2HD1 LEU 19 4.633 -4.277 -9.225 621 3HD1 LEU 19 3HD1 LEU 19 3.780 -3.902 -7.726 622 1HD2 LEU 19 1HD2 LEU 19 7.544 -5.593 -8.147 623 2HD2 LEU 19 2HD2 LEU 19 6.148 -6.051 -9.113 624 3HD2 LEU 19 3HD2 LEU 19 6.419 -6.801 -7.541 625 HA PRO 20 HA PRO 20 10.299 -0.349 -6.087 626 1HB PRO 20 2HB PRO 20 12.555 -1.308 -7.602 627 2HB PRO 20 1HB PRO 20 12.424 -1.072 -5.856 628 1HG PRO 20 2HG PRO 20 12.683 -3.494 -7.096 629 2HG PRO 20 1HG PRO 20 11.993 -3.251 -5.482 630 1HD PRO 20 2HD PRO 20 10.590 -3.680 -8.090 631 2HD PRO 20 1HD PRO 20 10.180 -4.275 -6.463 632 H ASN 21 H ASN 21 9.437 -1.841 -9.089 633 HA ASN 21 HA ASN 21 10.438 0.370 -10.712 634 1HB ASN 21 2HB ASN 21 8.820 -2.032 -11.548 635 2HB ASN 21 1HB ASN 21 9.629 -0.895 -12.612 636 1HD2 ASN 21 1HD2 ASN 21 10.082 -3.887 -12.097 637 2HD2 ASN 21 2HD2 ASN 21 11.743 -3.998 -11.767 638 H LEU 22 H LEU 22 7.476 -0.537 -9.111 639 HA LEU 22 HA LEU 22 5.713 0.924 -10.833 640 1HB LEU 22 2HB LEU 22 5.325 0.152 -7.944 641 2HB LEU 22 1HB LEU 22 4.078 0.780 -8.998 642 HG LEU 22 HG LEU 22 5.489 -1.875 -9.125 643 1HD1 LEU 22 1HD1 LEU 22 3.522 -1.910 -7.758 644 2HD1 LEU 22 2HD1 LEU 22 3.035 -2.599 -9.309 645 3HD1 LEU 22 3HD1 LEU 22 2.621 -0.933 -8.913 646 1HD2 LEU 22 1HD2 LEU 22 4.032 -2.117 -11.229 647 2HD2 LEU 22 2HD2 LEU 22 5.546 -1.229 -11.367 648 3HD2 LEU 22 3HD2 LEU 22 4.005 -0.363 -11.235 649 H ASN 23 H ASN 23 4.703 2.853 -10.517 650 HA ASN 23 HA ASN 23 6.265 4.966 -9.302 651 1HB ASN 23 2HB ASN 23 5.132 5.243 -11.479 652 2HB ASN 23 1HB ASN 23 3.599 4.887 -10.754 653 1HD2 ASN 23 1HD2 ASN 23 5.299 7.365 -11.881 654 2HD2 ASN 23 2HD2 ASN 23 4.699 8.617 -10.905 655 H SER 24 H SER 24 5.331 6.359 -7.590 656 HA SER 24 HA SER 24 4.074 4.926 -5.494 657 1HB SER 24 2HB SER 24 3.518 7.686 -5.143 658 2HB SER 24 1HB SER 24 4.767 6.729 -4.366 659 HG SER 24 HG SER 24 6.163 7.736 -5.557 660 H LEU 25 H LEU 25 2.874 7.139 -7.935 661 HA LEU 25 HA LEU 25 0.149 7.112 -7.138 662 1HB LEU 25 2HB LEU 25 1.717 8.194 -9.379 663 2HB LEU 25 1HB LEU 25 0.084 7.753 -9.792 664 HG LEU 25 HG LEU 25 0.816 9.461 -7.454 665 1HD1 LEU 25 1HD1 LEU 25 1.340 10.487 -9.710 666 2HD1 LEU 25 2HD1 LEU 25 0.145 11.373 -8.760 667 3HD1 LEU 25 3HD1 LEU 25 -0.378 10.340 -10.089 668 1HD2 LEU 25 1HD2 LEU 25 -1.306 9.088 -6.851 669 2HD2 LEU 25 2HD2 LEU 25 -1.508 8.033 -8.253 670 3HD2 LEU 25 3HD2 LEU 25 -1.857 9.761 -8.387 671 H GLN 26 H GLN 26 2.089 5.218 -9.402 672 HA GLN 26 HA GLN 26 -0.047 3.767 -10.587 673 1HB GLN 26 2HB GLN 26 2.885 3.291 -10.256 674 2HB GLN 26 1HB GLN 26 1.870 1.942 -10.734 675 1HG GLN 26 2HG GLN 26 1.090 3.174 -12.697 676 2HG GLN 26 1HG GLN 26 2.020 4.594 -12.204 677 1HE2 GLN 26 1HE2 GLN 26 3.827 1.915 -11.305 678 2HE2 GLN 26 2HE2 GLN 26 4.802 1.791 -12.690 679 H VAL 27 H VAL 27 1.926 3.397 -7.755 680 HA VAL 27 HA VAL 27 1.022 0.861 -6.951 681 HB VAL 27 HB VAL 27 2.420 3.123 -5.551 682 1HG1 VAL 27 1HG1 VAL 27 2.860 1.181 -3.820 683 2HG1 VAL 27 2HG1 VAL 27 1.297 0.595 -4.386 684 3HG1 VAL 27 3HG1 VAL 27 1.431 2.196 -3.665 685 1HG2 VAL 27 1HG2 VAL 27 4.208 2.105 -6.459 686 2HG2 VAL 27 2HG2 VAL 27 3.139 0.934 -7.229 687 3HG2 VAL 27 3HG2 VAL 27 3.793 0.609 -5.624 688 H VAL 28 H VAL 28 0.039 4.138 -6.113 689 HA VAL 28 HA VAL 28 -2.024 3.445 -4.338 690 HB VAL 28 HB VAL 28 -1.762 5.847 -6.175 691 1HG1 VAL 28 1HG1 VAL 28 -3.728 6.567 -5.342 692 2HG1 VAL 28 2HG1 VAL 28 -3.206 6.246 -3.687 693 3HG1 VAL 28 3HG1 VAL 28 -3.945 4.964 -4.644 694 1HG2 VAL 28 1HG2 VAL 28 -0.263 6.692 -4.697 695 2HG2 VAL 28 2HG2 VAL 28 -0.161 5.078 -3.993 696 3HG2 VAL 28 3HG2 VAL 28 -1.281 6.261 -3.319 697 H ALA 29 H ALA 29 -1.762 3.611 -7.844 698 HA ALA 29 HA ALA 29 -4.468 3.494 -8.571 699 1HB ALA 29 1HB ALA 29 -2.090 3.576 -9.934 700 2HB ALA 29 2HB ALA 29 -3.650 3.245 -10.687 701 3HB ALA 29 3HB ALA 29 -2.589 1.909 -10.230 702 H PHE 30 H PHE 30 -2.093 0.938 -7.866 703 HA PHE 30 HA PHE 30 -3.924 -1.181 -8.264 704 1HB PHE 30 2HB PHE 30 -1.173 -1.011 -6.986 705 2HB PHE 30 1HB PHE 30 -2.039 -2.509 -7.321 706 HD1 PHE 30 1HD PHE 30 -3.184 -2.354 -9.926 707 HD2 PHE 30 2HD PHE 30 0.516 -0.572 -8.571 708 HE1 PHE 30 1HE PHE 30 -2.375 -2.198 -12.240 709 HE2 PHE 30 2HE PHE 30 1.285 -0.447 -10.887 710 HZ PHE 30 HZ PHE 30 -0.154 -1.263 -12.731 711 H ILE 31 H ILE 31 -2.598 0.515 -5.392 712 HA ILE 31 HA ILE 31 -3.837 -1.101 -3.444 713 HB ILE 31 HB ILE 31 -3.227 1.867 -3.317 714 1HG1 ILE 31 2HG1 ILE 31 -1.614 -0.406 -2.125 715 2HG1 ILE 31 1HG1 ILE 31 -1.290 0.202 -3.744 716 1HG2 ILE 31 1HG2 ILE 31 -3.220 1.451 -0.839 717 2HG2 ILE 31 2HG2 ILE 31 -3.842 -0.167 -1.152 718 3HG2 ILE 31 3HG2 ILE 31 -4.812 1.245 -1.570 719 1HD1 ILE 31 1HD1 ILE 31 -1.417 2.007 -1.315 720 2HD1 ILE 31 2HD1 ILE 31 -0.799 2.399 -2.924 721 3HD1 ILE 31 3HD1 ILE 31 0.095 1.282 -1.884 722 H ASN 32 H ASN 32 -4.953 1.839 -5.057 723 HA ASN 32 HA ASN 32 -7.465 2.041 -3.819 724 1HB ASN 32 2HB ASN 32 -6.290 3.757 -5.296 725 2HB ASN 32 1HB ASN 32 -6.837 2.816 -6.677 726 1HD2 ASN 32 1HD2 ASN 32 -7.855 5.178 -6.879 727 2HD2 ASN 32 2HD2 ASN 32 -9.441 5.319 -6.292 728 H SER 33 H SER 33 -6.274 -0.015 -6.438 729 HA SER 33 HA SER 33 -8.895 -0.818 -7.250 730 1HB SER 33 2HB SER 33 -6.129 -1.548 -8.074 731 2HB SER 33 1HB SER 33 -7.492 -2.562 -8.555 732 HG SER 33 HG SER 33 -7.616 0.229 -8.859 733 H LEU 34 H LEU 34 -6.463 -1.824 -4.956 734 HA LEU 34 HA LEU 34 -7.469 -4.458 -4.403 735 1HB LEU 34 2HB LEU 34 -6.142 -2.500 -2.472 736 2HB LEU 34 1HB LEU 34 -6.311 -4.228 -2.233 737 HG LEU 34 HG LEU 34 -4.748 -2.972 -4.490 738 1HD1 LEU 34 1HD1 LEU 34 -3.581 -4.478 -2.181 739 2HD1 LEU 34 2HD1 LEU 34 -3.763 -2.720 -2.157 740 3HD1 LEU 34 3HD1 LEU 34 -2.752 -3.480 -3.374 741 1HD2 LEU 34 1HD2 LEU 34 -5.110 -5.775 -3.540 742 2HD2 LEU 34 2HD2 LEU 34 -3.879 -5.297 -4.703 743 3HD2 LEU 34 3HD2 LEU 34 -5.579 -5.097 -5.079 744 H ARG 35 H ARG 35 -8.027 -1.221 -3.355 745 HA ARG 35 HA ARG 35 -10.112 -1.543 -1.443 746 1HB ARG 35 2HB ARG 35 -8.669 0.559 -2.645 747 2HB ARG 35 1HB ARG 35 -10.339 0.858 -3.099 748 1HG ARG 35 2HG ARG 35 -10.913 1.484 -1.007 749 2HG ARG 35 1HG ARG 35 -10.039 0.152 -0.260 750 1HD ARG 35 2HD ARG 35 -7.933 1.608 -1.073 751 2HD ARG 35 1HD ARG 35 -9.110 2.909 -0.922 752 HE ARG 35 HE ARG 35 -7.936 1.364 1.231 753 1HH1 ARG 35 1HH2 ARG 35 -10.849 1.231 1.783 754 2HH1 ARG 35 2HH2 ARG 35 -11.146 2.688 2.669 755 1HH2 ARG 35 1HH1 ARG 35 -8.182 4.192 1.691 756 2HH2 ARG 35 2HH1 ARG 35 -9.636 4.366 2.615 757 H ASP 36 H ASP 36 -10.156 -0.863 -4.912 758 HA ASP 36 HA ASP 36 -12.949 -0.762 -5.271 759 1HB ASP 36 2HB ASP 36 -10.721 -1.476 -7.192 760 2HB ASP 36 1HB ASP 36 -12.379 -1.138 -7.677 761 H ASP 37 H ASP 37 -10.637 -3.414 -5.400 762 HA ASP 37 HA ASP 37 -12.822 -5.351 -5.205 763 1HB ASP 37 2HB ASP 37 -10.998 -5.033 -7.537 764 2HB ASP 37 1HB ASP 37 -11.331 -6.671 -7.001 765 HA PRO 38 HA PRO 38 -9.432 -6.449 -2.408 766 1HB PRO 38 2HB PRO 38 -11.423 -7.699 -0.778 767 2HB PRO 38 1HB PRO 38 -10.445 -6.280 -0.420 768 1HG PRO 38 2HG PRO 38 -13.183 -6.323 -0.899 769 2HG PRO 38 1HG PRO 38 -12.143 -4.896 -0.867 770 1HD PRO 38 2HD PRO 38 -13.332 -6.270 -3.180 771 2HD PRO 38 1HD PRO 38 -12.667 -4.628 -3.060 772 H SER 39 H SER 39 -12.075 -8.248 -3.791 773 HA SER 39 HA SER 39 -11.128 -10.880 -3.221 774 1HB SER 39 2HB SER 39 -13.482 -10.360 -3.889 775 2HB SER 39 1HB SER 39 -12.903 -9.946 -5.500 776 HG SER 39 HG SER 39 -12.049 -12.099 -5.604 777 H GLN 40 H GLN 40 -10.763 -8.573 -5.858 778 HA GLN 40 HA GLN 40 -8.857 -10.322 -7.197 779 1HB GLN 40 2HB GLN 40 -9.514 -7.750 -8.457 780 2HB GLN 40 1HB GLN 40 -9.354 -9.342 -9.149 781 1HG GLN 40 2HG GLN 40 -11.545 -10.016 -8.429 782 2HG GLN 40 1HG GLN 40 -11.749 -8.547 -7.483 783 1HE2 GLN 40 1HE2 GLN 40 -10.833 -6.603 -9.301 784 2HE2 GLN 40 2HE2 GLN 40 -11.856 -6.580 -10.656 785 H SER 41 H SER 41 -8.293 -8.864 -4.643 786 HA SER 41 HA SER 41 -6.658 -6.647 -5.100 787 1HB SER 41 2HB SER 41 -6.618 -8.879 -3.064 788 2HB SER 41 1HB SER 41 -5.380 -7.634 -3.043 789 HG SER 41 HG SER 41 -7.271 -6.141 -3.118 790 H ALA 42 H ALA 42 -6.168 -10.029 -5.588 791 HA ALA 42 HA ALA 42 -3.348 -9.999 -6.042 792 1HB ALA 42 1HB ALA 42 -3.651 -12.276 -6.645 793 2HB ALA 42 2HB ALA 42 -5.350 -12.011 -7.058 794 3HB ALA 42 3HB ALA 42 -4.833 -11.963 -5.369 795 H ASN 43 H ASN 43 -6.186 -9.405 -7.971 796 HA ASN 43 HA ASN 43 -5.150 -9.909 -10.538 797 1HB ASN 43 2HB ASN 43 -7.514 -9.812 -9.866 798 2HB ASN 43 1HB ASN 43 -7.349 -8.058 -9.769 799 1HD2 ASN 43 1HD2 ASN 43 -6.938 -10.784 -12.092 800 2HD2 ASN 43 2HD2 ASN 43 -7.289 -9.854 -13.469 801 H LEU 44 H LEU 44 -5.810 -6.826 -8.892 802 HA LEU 44 HA LEU 44 -4.506 -5.388 -10.931 803 1HB LEU 44 2HB LEU 44 -4.986 -3.369 -9.704 804 2HB LEU 44 1HB LEU 44 -6.399 -4.397 -9.697 805 HG LEU 44 HG LEU 44 -5.927 -3.274 -7.546 806 1HD1 LEU 44 1HD1 LEU 44 -7.022 -5.628 -8.035 807 2HD1 LEU 44 2HD1 LEU 44 -6.917 -4.881 -6.447 808 3HD1 LEU 44 3HD1 LEU 44 -5.738 -6.108 -6.931 809 1HD2 LEU 44 1HD2 LEU 44 -4.078 -3.554 -6.333 810 2HD2 LEU 44 2HD2 LEU 44 -3.368 -3.845 -7.904 811 3HD2 LEU 44 3HD2 LEU 44 -3.844 -5.204 -6.876 812 H LEU 45 H LEU 45 -3.659 -6.927 -8.010 813 HA LEU 45 HA LEU 45 -1.112 -5.714 -7.587 814 1HB LEU 45 2HB LEU 45 -1.894 -6.997 -5.753 815 2HB LEU 45 1HB LEU 45 -2.396 -8.327 -6.790 816 HG LEU 45 HG LEU 45 -0.058 -8.869 -7.279 817 1HD1 LEU 45 1HD1 LEU 45 0.557 -6.563 -5.419 818 2HD1 LEU 45 2HD1 LEU 45 0.865 -6.606 -7.146 819 3HD1 LEU 45 3HD1 LEU 45 1.743 -7.681 -6.082 820 1HD2 LEU 45 1HD2 LEU 45 -0.570 -10.172 -5.479 821 2HD2 LEU 45 2HD2 LEU 45 -1.119 -8.812 -4.510 822 3HD2 LEU 45 3HD2 LEU 45 0.602 -9.143 -4.663 823 H ALA 46 H ALA 46 -2.518 -8.265 -9.435 824 HA ALA 46 HA ALA 46 -0.157 -9.402 -10.510 825 1HB ALA 46 1HB ALA 46 -2.270 -9.562 -12.434 826 2HB ALA 46 2HB ALA 46 -3.016 -9.718 -10.846 827 3HB ALA 46 3HB ALA 46 -1.729 -10.824 -11.329 828 H GLU 47 H GLU 47 -2.385 -6.862 -11.485 829 HA GLU 47 HA GLU 47 -1.191 -6.075 -13.902 830 1HB GLU 47 2HB GLU 47 -2.781 -4.462 -11.878 831 2HB GLU 47 1HB GLU 47 -2.354 -3.900 -13.492 832 1HG GLU 47 2HG GLU 47 -4.164 -6.178 -12.723 833 2HG GLU 47 1HG GLU 47 -4.587 -4.712 -13.581 834 H ALA 48 H ALA 48 -0.577 -5.345 -10.547 835 HA ALA 48 HA ALA 48 1.182 -3.148 -10.927 836 1HB ALA 48 1HB ALA 48 1.515 -4.846 -8.556 837 2HB ALA 48 2HB ALA 48 -0.142 -4.304 -8.834 838 3HB ALA 48 3HB ALA 48 1.156 -3.123 -8.665 839 H LYS 49 H LYS 49 1.658 -6.556 -10.158 840 HA LYS 49 HA LYS 49 4.474 -6.454 -10.131 841 1HB LYS 49 2HB LYS 49 2.443 -8.649 -10.400 842 2HB LYS 49 1HB LYS 49 4.170 -8.996 -10.471 843 1HG LYS 49 2HG LYS 49 4.382 -7.776 -8.261 844 2HG LYS 49 1HG LYS 49 2.620 -7.741 -8.199 845 1HD LYS 49 2HD LYS 49 4.227 -10.292 -8.528 846 2HD LYS 49 1HD LYS 49 3.691 -9.686 -6.966 847 1HE LYS 49 2HE LYS 49 1.408 -9.640 -8.650 848 2HE LYS 49 1HE LYS 49 2.199 -11.190 -8.929 849 1HZ LYS 49 1HZ LYS 49 0.580 -11.151 -7.051 850 2HZ LYS 49 2HZ LYS 49 1.641 -10.112 -6.226 851 3HZ LYS 49 3HZ LYS 49 2.136 -11.685 -6.632 852 H LYS 50 H LYS 50 2.052 -6.853 -12.573 853 HA LYS 50 HA LYS 50 3.744 -7.504 -14.775 854 1HB LYS 50 2HB LYS 50 0.973 -6.387 -14.515 855 2HB LYS 50 1HB LYS 50 1.759 -6.540 -16.080 856 1HG LYS 50 2HG LYS 50 1.871 -8.903 -15.934 857 2HG LYS 50 1HG LYS 50 1.585 -8.896 -14.196 858 1HD LYS 50 2HD LYS 50 -0.433 -9.623 -15.437 859 2HD LYS 50 1HD LYS 50 -0.730 -8.123 -14.564 860 1HE LYS 50 2HE LYS 50 -0.453 -6.818 -16.595 861 2HE LYS 50 1HE LYS 50 0.039 -8.253 -17.495 862 1HZ LYS 50 1HZ LYS 50 -2.605 -7.881 -16.193 863 2HZ LYS 50 2HZ LYS 50 -2.128 -9.206 -17.145 864 3HZ LYS 50 3HZ LYS 50 -2.300 -7.670 -17.849 865 H LEU 51 H LEU 51 2.454 -4.511 -13.380 866 HA LEU 51 HA LEU 51 3.506 -2.796 -15.410 867 1HB LEU 51 2HB LEU 51 2.071 -2.479 -12.889 868 2HB LEU 51 1HB LEU 51 3.332 -1.266 -13.080 869 HG LEU 51 HG LEU 51 1.105 -0.630 -14.063 870 1HD1 LEU 51 1HD1 LEU 51 2.307 -0.102 -16.389 871 2HD1 LEU 51 2HD1 LEU 51 3.724 -0.670 -15.499 872 3HD1 LEU 51 3HD1 LEU 51 2.782 0.702 -14.890 873 1HD2 LEU 51 1HD2 LEU 51 1.541 -2.131 -16.530 874 2HD2 LEU 51 2HD2 LEU 51 0.071 -1.980 -15.563 875 3HD2 LEU 51 3HD2 LEU 51 1.267 -3.214 -15.163 876 H ASN 52 H ASN 52 4.597 -3.911 -12.307 877 HA ASN 52 HA ASN 52 6.993 -2.402 -12.172 878 1HB ASN 52 2HB ASN 52 6.173 -3.543 -10.210 879 2HB ASN 52 1HB ASN 52 6.250 -5.100 -11.017 880 1HD2 ASN 52 1HD2 ASN 52 8.437 -5.904 -11.582 881 2HD2 ASN 52 2HD2 ASN 52 9.779 -5.404 -10.672 882 H ASP 53 H ASP 53 6.003 -5.443 -13.541 883 HA ASP 53 HA ASP 53 8.581 -6.237 -14.525 884 1HB ASP 53 2HB ASP 53 5.777 -7.017 -15.350 885 2HB ASP 53 1HB ASP 53 7.219 -7.730 -16.057 886 H ALA 54 H ALA 54 5.935 -4.311 -15.736 887 HA ALA 54 HA ALA 54 6.768 -4.027 -18.421 888 1HB ALA 54 1HB ALA 54 5.220 -1.943 -16.917 889 2HB ALA 54 2HB ALA 54 4.497 -3.502 -17.307 890 3HB ALA 54 3HB ALA 54 5.060 -2.443 -18.601 891 H GLN 55 H GLN 55 7.409 -2.199 -15.470 892 HA GLN 55 HA GLN 55 9.067 -0.251 -16.875 893 1HB GLN 55 2HB GLN 55 8.227 -0.565 -14.034 894 2HB GLN 55 1HB GLN 55 9.254 0.738 -14.599 895 1HG GLN 55 2HG GLN 55 7.535 1.726 -15.824 896 2HG GLN 55 1HG GLN 55 6.642 0.213 -15.976 897 1HE2 GLN 55 1HE2 GLN 55 6.074 -0.712 -13.607 898 2HE2 GLN 55 2HE2 GLN 55 5.369 0.436 -12.575 899 H ALA 56 H ALA 56 9.442 -3.274 -15.448 900 HA ALA 56 HA ALA 56 11.961 -3.008 -14.158 901 1HB ALA 56 1HB ALA 56 10.611 -5.396 -15.433 902 2HB ALA 56 2HB ALA 56 10.655 -4.985 -13.722 903 3HB ALA 56 3HB ALA 56 12.125 -5.497 -14.545 904 HA PRO 57 HA PRO 57 14.742 -2.993 -17.516 905 1HB PRO 57 2HB PRO 57 16.741 -4.589 -16.190 906 2HB PRO 57 1HB PRO 57 16.637 -2.827 -16.284 907 1HG PRO 57 2HG PRO 57 16.340 -4.268 -13.985 908 2HG PRO 57 1HG PRO 57 15.673 -2.648 -14.252 909 1HD PRO 57 2HD PRO 57 14.307 -5.309 -14.492 910 2HD PRO 57 1HD PRO 57 13.709 -3.799 -13.761 911 H LYS 58 H LYS 58 15.994 -4.318 -19.012 912 HA LYS 58 HA LYS 58 15.172 -7.129 -19.176 913 1HB LYS 58 2HB LYS 58 14.816 -4.955 -21.167 914 2HB LYS 58 1HB LYS 58 15.043 -6.598 -21.720 915 1HG LYS 58 2HG LYS 58 12.759 -6.690 -21.498 916 2HG LYS 58 1HG LYS 58 13.155 -7.019 -19.813 917 1HD LYS 58 2HD LYS 58 13.118 -4.441 -19.504 918 2HD LYS 58 1HD LYS 58 12.299 -4.401 -21.062 919 1HE LYS 58 2HE LYS 58 10.524 -4.480 -19.511 920 2HE LYS 58 1HE LYS 58 10.688 -6.158 -20.029 921 1HZ LYS 58 1HZ LYS 58 12.450 -5.805 -17.920 922 2HZ LYS 58 2HZ LYS 58 10.998 -6.689 -17.916 923 3HZ LYS 58 3HZ LYS 58 11.002 -5.056 -17.443 Start of MODEL 10 1 1H VAL 1 1HT VAL 1 11.160 -17.543 3.148 2 2H VAL 1 2HT VAL 1 9.705 -16.666 3.113 3 3H VAL 1 3HT VAL 1 9.976 -17.819 4.332 4 HA VAL 1 HA VAL 1 11.693 -16.511 5.311 5 HB VAL 1 HB VAL 1 12.245 -14.277 4.345 6 1HG1 VAL 1 1HG1 VAL 1 12.639 -16.504 2.322 7 2HG1 VAL 1 2HG1 VAL 1 13.574 -16.354 3.810 8 3HG1 VAL 1 3HG1 VAL 1 13.673 -15.099 2.577 9 1HG2 VAL 1 1HG2 VAL 1 10.120 -13.943 3.090 10 2HG2 VAL 1 2HG2 VAL 1 10.583 -15.235 1.982 11 3HG2 VAL 1 3HG2 VAL 1 11.529 -13.749 2.047 12 H ASP 2 H ASP 2 11.302 -14.194 6.309 13 HA ASP 2 HA ASP 2 8.620 -14.213 7.356 14 1HB ASP 2 2HB ASP 2 10.518 -13.644 8.795 15 2HB ASP 2 1HB ASP 2 10.899 -12.259 7.773 16 H ASN 3 H ASN 3 6.962 -13.383 6.308 17 HA ASN 3 HA ASN 3 7.352 -11.143 4.434 18 1HB ASN 3 2HB ASN 3 4.992 -13.006 4.800 19 2HB ASN 3 1HB ASN 3 5.141 -11.765 3.558 20 1HD2 ASN 3 1HD2 ASN 3 5.202 -14.951 3.639 21 2HD2 ASN 3 2HD2 ASN 3 6.489 -15.302 2.589 22 H LYS 4 H LYS 4 6.908 -11.300 7.588 23 HA LYS 4 HA LYS 4 4.508 -9.996 8.205 24 1HB LYS 4 2HB LYS 4 6.160 -11.061 9.797 25 2HB LYS 4 1HB LYS 4 7.159 -9.622 9.608 26 1HG LYS 4 2HG LYS 4 5.075 -8.279 10.294 27 2HG LYS 4 1HG LYS 4 4.395 -9.822 10.812 28 1HD LYS 4 2HD LYS 4 7.126 -8.891 11.710 29 2HD LYS 4 1HD LYS 4 5.661 -8.463 12.593 30 1HE LYS 4 2HE LYS 4 6.273 -10.415 13.703 31 2HE LYS 4 1HE LYS 4 5.207 -11.076 12.466 32 1HZ LYS 4 1HZ LYS 4 7.824 -10.804 11.437 33 2HZ LYS 4 2HZ LYS 4 6.891 -12.211 11.616 34 3HZ LYS 4 3HZ LYS 4 7.881 -11.678 12.890 35 H PHE 5 H PHE 5 7.701 -8.697 7.358 36 HA PHE 5 HA PHE 5 7.103 -5.980 7.683 37 1HB PHE 5 2HB PHE 5 9.161 -5.534 6.657 38 2HB PHE 5 1HB PHE 5 9.408 -7.132 7.352 39 HD1 PHE 5 1HD PHE 5 9.141 -9.178 5.865 40 HD2 PHE 5 2HD PHE 5 9.283 -5.177 4.297 41 HE1 PHE 5 1HE PHE 5 9.645 -10.078 3.609 42 HE2 PHE 5 2HE PHE 5 9.789 -6.080 2.047 43 HZ PHE 5 HZ PHE 5 9.968 -8.530 1.701 44 H ASN 6 H ASN 6 6.755 -8.192 4.933 45 HA ASN 6 HA ASN 6 5.992 -6.262 2.997 46 1HB ASN 6 2HB ASN 6 6.683 -8.536 2.389 47 2HB ASN 6 1HB ASN 6 5.268 -9.187 3.206 48 1HD2 ASN 6 1HD2 ASN 6 3.923 -9.909 1.571 49 2HD2 ASN 6 2HD2 ASN 6 3.464 -8.984 0.223 50 H LYS 7 H LYS 7 4.161 -8.356 5.194 51 HA LYS 7 HA LYS 7 1.604 -7.567 4.320 52 1HB LYS 7 2HB LYS 7 2.260 -9.567 5.829 53 2HB LYS 7 1HB LYS 7 2.210 -8.404 7.155 54 1HG LYS 7 2HG LYS 7 -0.091 -7.884 6.734 55 2HG LYS 7 1HG LYS 7 -0.073 -8.753 5.200 56 1HD LYS 7 2HD LYS 7 0.712 -10.712 6.979 57 2HD LYS 7 1HD LYS 7 -0.436 -9.775 7.938 58 1HE LYS 7 2HE LYS 7 -1.017 -10.780 5.136 59 2HE LYS 7 1HE LYS 7 -1.491 -11.641 6.600 60 1HZ LYS 7 1HZ LYS 7 -3.029 -10.070 7.145 61 2HZ LYS 7 2HZ LYS 7 -3.093 -9.935 5.452 62 3HZ LYS 7 3HZ LYS 7 -2.205 -8.809 6.364 63 H GLU 8 H GLU 8 3.863 -6.348 6.737 64 HA GLU 8 HA GLU 8 2.095 -4.337 7.710 65 1HB GLU 8 2HB GLU 8 3.889 -5.126 9.120 66 2HB GLU 8 1HB GLU 8 5.097 -4.625 7.938 67 1HG GLU 8 2HG GLU 8 4.214 -2.244 8.229 68 2HG GLU 8 1HG GLU 8 3.262 -2.847 9.582 69 H LEU 9 H LEU 9 4.625 -4.457 5.309 70 HA LEU 9 HA LEU 9 4.760 -1.705 4.621 71 1HB LEU 9 2HB LEU 9 6.446 -3.259 3.819 72 2HB LEU 9 1HB LEU 9 5.225 -4.219 2.991 73 HG LEU 9 HG LEU 9 4.696 -2.050 1.670 74 1HD1 LEU 9 1HD1 LEU 9 7.463 -1.182 1.838 75 2HD1 LEU 9 2HD1 LEU 9 6.626 -0.940 3.378 76 3HD1 LEU 9 3HD1 LEU 9 5.988 -0.249 1.877 77 1HD2 LEU 9 1HD2 LEU 9 7.334 -3.465 1.325 78 2HD2 LEU 9 2HD2 LEU 9 6.498 -2.524 0.088 79 3HD2 LEU 9 3HD2 LEU 9 5.773 -4.003 0.714 80 H GLY 10 H GLY 10 2.698 -4.367 3.637 81 1HA GLY 10 2HA GLY 10 1.193 -2.828 1.796 82 2HA GLY 10 1HA GLY 10 0.807 -4.431 2.389 83 H TRP 11 H TRP 11 0.788 -3.958 5.142 84 HA TRP 11 HA TRP 11 -1.783 -2.912 5.314 85 1HB TRP 11 2HB TRP 11 -0.581 -4.678 6.871 86 2HB TRP 11 1HB TRP 11 -0.381 -3.233 7.862 87 HD1 TRP 11 HD TRP 11 -2.226 -3.735 9.605 88 HE1 TRP 11 1HE TRP 11 -4.798 -3.870 9.514 89 HE3 TRP 11 3HE TRP 11 -3.031 -3.748 4.524 90 HZ2 TRP 11 2HZ TRP 11 -6.899 -3.901 7.594 91 HZ3 TRP 11 3HZ TRP 11 -5.275 -3.783 3.604 92 HH2 TRP 11 HH TRP 11 -7.248 -3.880 5.132 93 H ALA 12 H ALA 12 1.206 -1.616 6.613 94 HA ALA 12 HA ALA 12 -0.021 0.608 7.737 95 1HB ALA 12 1HB ALA 12 2.598 -0.323 7.441 96 2HB ALA 12 2HB ALA 12 2.092 1.083 8.351 97 3HB ALA 12 3HB ALA 12 2.604 1.264 6.675 98 H THR 13 H THR 13 1.044 -0.090 4.437 99 HA THR 13 HA THR 13 0.704 2.416 3.204 100 HB THR 13 HB THR 13 0.469 -0.432 2.334 101 HG1 THR 13 1HG THR 13 2.484 0.109 2.256 102 1HG2 THR 13 1HG2 THR 13 -1.204 0.559 0.957 103 2HG2 THR 13 2HG2 THR 13 0.265 0.500 -0.019 104 3HG2 THR 13 3HG2 THR 13 -0.236 2.021 0.723 105 H TRP 14 H TRP 14 -1.558 -0.222 3.812 106 HA TRP 14 HA TRP 14 -3.869 0.997 2.717 107 1HB TRP 14 2HB TRP 14 -3.474 -1.444 3.249 108 2HB TRP 14 1HB TRP 14 -3.761 -1.044 4.930 109 HD1 TRP 14 HD TRP 14 -6.181 -0.793 5.720 110 HE1 TRP 14 1HE TRP 14 -8.476 -1.035 4.589 111 HE3 TRP 14 3HE TRP 14 -4.761 -0.885 0.791 112 HZ2 TRP 14 2HZ TRP 14 -9.554 -1.251 1.964 113 HZ3 TRP 14 3HZ TRP 14 -6.434 -1.120 -0.957 114 HH2 TRP 14 HH TRP 14 -8.796 -1.307 -0.384 115 H GLU 15 H GLU 15 -2.646 0.731 6.042 116 HA GLU 15 HA GLU 15 -4.810 1.979 7.323 117 1HB GLU 15 2HB GLU 15 -1.888 1.768 8.092 118 2HB GLU 15 1HB GLU 15 -3.163 2.326 9.179 119 1HG GLU 15 2HG GLU 15 -4.309 0.208 9.067 120 2HG GLU 15 1HG GLU 15 -3.289 -0.355 7.747 121 H ILE 16 H ILE 16 -1.895 3.286 5.823 122 HA ILE 16 HA ILE 16 -2.350 6.040 6.572 123 HB ILE 16 HB ILE 16 -0.733 4.782 4.296 124 1HG1 ILE 16 2HG1 ILE 16 0.310 5.988 6.853 125 2HG1 ILE 16 1HG1 ILE 16 -0.067 4.288 6.736 126 1HG2 ILE 16 1HG2 ILE 16 0.475 7.001 4.331 127 2HG2 ILE 16 2HG2 ILE 16 -0.819 7.617 5.352 128 3HG2 ILE 16 3HG2 ILE 16 -1.174 7.079 3.715 129 1HD1 ILE 16 1HD1 ILE 16 1.610 5.343 4.527 130 2HD1 ILE 16 2HD1 ILE 16 1.772 3.848 5.457 131 3HD1 ILE 16 3HD1 ILE 16 2.377 5.363 6.123 132 H PHE 17 H PHE 17 -3.139 3.897 3.912 133 HA PHE 17 HA PHE 17 -4.297 5.696 2.058 134 1HB PHE 17 2HB PHE 17 -3.669 3.072 2.050 135 2HB PHE 17 1HB PHE 17 -5.382 2.935 2.367 136 HD1 PHE 17 1HD PHE 17 -7.019 3.519 0.687 137 HD2 PHE 17 2HD PHE 17 -2.820 4.049 -0.042 138 HE1 PHE 17 1HE PHE 17 -7.468 3.729 -1.739 139 HE2 PHE 17 2HE PHE 17 -3.260 4.268 -2.462 140 HZ PHE 17 HZ PHE 17 -5.584 4.097 -3.308 141 H ASN 18 H ASN 18 -5.525 3.933 4.836 142 HA ASN 18 HA ASN 18 -8.280 4.763 4.417 143 1HB ASN 18 2HB ASN 18 -6.915 3.020 6.472 144 2HB ASN 18 1HB ASN 18 -8.625 3.432 6.557 145 1HD2 ASN 18 1HD2 ASN 18 -6.557 2.542 3.726 146 2HD2 ASN 18 2HD2 ASN 18 -7.544 1.251 3.241 147 H LEU 19 H LEU 19 -5.685 6.414 5.688 148 HA LEU 19 HA LEU 19 -6.845 7.304 8.124 149 1HB LEU 19 2HB LEU 19 -4.494 8.064 6.531 150 2HB LEU 19 1HB LEU 19 -5.173 9.360 7.506 151 HG LEU 19 HG LEU 19 -4.342 6.619 8.536 152 1HD1 LEU 19 1HD1 LEU 19 -2.946 9.079 8.083 153 2HD1 LEU 19 2HD1 LEU 19 -2.320 7.545 8.685 154 3HD1 LEU 19 3HD1 LEU 19 -2.992 8.728 9.795 155 1HD2 LEU 19 1HD2 LEU 19 -4.645 8.677 10.550 156 2HD2 LEU 19 2HD2 LEU 19 -5.426 7.092 10.452 157 3HD2 LEU 19 3HD2 LEU 19 -6.155 8.482 9.662 158 HA PRO 20 HA PRO 20 -9.815 9.953 6.169 159 1HB PRO 20 2HB PRO 20 -10.545 11.059 8.738 160 2HB PRO 20 1HB PRO 20 -11.391 9.827 7.788 161 1HG PRO 20 2HG PRO 20 -10.180 9.367 10.180 162 2HG PRO 20 1HG PRO 20 -10.427 8.126 8.938 163 1HD PRO 20 2HD PRO 20 -7.956 9.719 9.539 164 2HD PRO 20 1HD PRO 20 -8.118 7.990 9.185 165 H ASN 21 H ASN 21 -6.894 11.237 6.977 166 HA ASN 21 HA ASN 21 -7.957 13.964 6.448 167 1HB ASN 21 2HB ASN 21 -6.168 13.347 8.791 168 2HB ASN 21 1HB ASN 21 -6.601 14.959 8.248 169 1HD2 ASN 21 1HD2 ASN 21 -7.751 12.142 9.986 170 2HD2 ASN 21 2HD2 ASN 21 -9.245 12.802 10.441 171 H LEU 22 H LEU 22 -5.666 11.675 5.685 172 HA LEU 22 HA LEU 22 -3.481 13.486 5.147 173 1HB LEU 22 2HB LEU 22 -3.953 10.652 4.235 174 2HB LEU 22 1HB LEU 22 -2.454 11.559 4.014 175 HG LEU 22 HG LEU 22 -3.743 10.916 6.684 176 1HD1 LEU 22 1HD1 LEU 22 -1.399 9.698 6.782 177 2HD1 LEU 22 2HD1 LEU 22 -1.597 9.665 5.032 178 3HD1 LEU 22 3HD1 LEU 22 -2.807 8.917 6.070 179 1HD2 LEU 22 1HD2 LEU 22 -2.549 12.871 7.127 180 2HD2 LEU 22 2HD2 LEU 22 -1.377 12.558 5.839 181 3HD2 LEU 22 3HD2 LEU 22 -1.290 11.655 7.345 182 H ASN 23 H ASN 23 -2.653 14.080 3.137 183 HA ASN 23 HA ASN 23 -4.732 14.424 1.095 184 1HB ASN 23 2HB ASN 23 -3.639 16.326 0.454 185 2HB ASN 23 1HB ASN 23 -3.000 16.237 2.089 186 1HD2 ASN 23 1HD2 ASN 23 -0.720 15.941 2.309 187 2HD2 ASN 23 2HD2 ASN 23 0.318 15.727 0.981 188 H GLY 24 H GLY 24 -4.234 13.930 -1.149 189 1HA GLY 24 2HA GLY 24 -3.474 11.349 -1.645 190 2HA GLY 24 1HA GLY 24 -3.394 12.619 -2.858 191 H VAL 25 H VAL 25 -1.356 14.207 -1.831 192 HA VAL 25 HA VAL 25 0.957 12.814 -2.703 193 HB VAL 25 HB VAL 25 0.739 15.442 -1.230 194 1HG1 VAL 25 1HG1 VAL 25 3.013 14.004 -2.597 195 2HG1 VAL 25 2HG1 VAL 25 2.996 14.779 -1.011 196 3HG1 VAL 25 3HG1 VAL 25 2.998 15.765 -2.472 197 1HG2 VAL 25 1HG2 VAL 25 0.696 14.610 -4.131 198 2HG2 VAL 25 2HG2 VAL 25 1.174 16.243 -3.654 199 3HG2 VAL 25 3HG2 VAL 25 -0.442 15.650 -3.271 200 H GLN 26 H GLN 26 -0.148 13.792 0.583 201 HA GLN 26 HA GLN 26 2.179 12.859 1.871 202 1HB GLN 26 2HB GLN 26 -0.491 13.733 2.689 203 2HB GLN 26 1HB GLN 26 0.219 12.525 3.760 204 1HG GLN 26 2HG GLN 26 2.018 13.879 4.347 205 2HG GLN 26 1HG GLN 26 1.963 14.785 2.831 206 1HE2 GLN 26 1HE2 GLN 26 -0.252 14.160 5.573 207 2HE2 GLN 26 2HE2 GLN 26 -0.745 15.773 5.737 208 H VAL 27 H VAL 27 -0.877 11.236 1.090 209 HA VAL 27 HA VAL 27 -0.244 8.760 2.335 210 HB VAL 27 HB VAL 27 -2.008 9.305 -0.076 211 1HG1 VAL 27 1HG1 VAL 27 -1.548 6.877 1.661 212 2HG1 VAL 27 2HG1 VAL 27 -1.584 6.976 -0.100 213 3HG1 VAL 27 3HG1 VAL 27 -3.081 7.113 0.820 214 1HG2 VAL 27 1HG2 VAL 27 -2.685 10.513 1.993 215 2HG2 VAL 27 2HG2 VAL 27 -2.685 8.985 2.872 216 3HG2 VAL 27 3HG2 VAL 27 -3.843 9.254 1.568 217 H LYS 28 H LYS 28 0.255 10.043 -0.911 218 HA LYS 28 HA LYS 28 1.492 7.772 -2.060 219 1HB LYS 28 2HB LYS 28 1.528 10.728 -2.724 220 2HB LYS 28 1HB LYS 28 2.481 9.563 -3.644 221 1HG LYS 28 2HG LYS 28 0.568 8.416 -4.416 222 2HG LYS 28 1HG LYS 28 -0.463 9.108 -3.170 223 1HD LYS 28 2HD LYS 28 -0.895 10.157 -5.369 224 2HD LYS 28 1HD LYS 28 -0.274 11.330 -4.216 225 1HE LYS 28 2HE LYS 28 0.745 11.372 -6.577 226 2HE LYS 28 1HE LYS 28 1.876 11.360 -5.226 227 1HZ LYS 28 1HZ LYS 28 2.582 9.298 -5.723 228 2HZ LYS 28 2HZ LYS 28 2.007 9.674 -7.276 229 3HZ LYS 28 3HZ LYS 28 1.052 8.758 -6.213 230 H ALA 29 H ALA 29 2.704 10.439 -0.144 231 HA ALA 29 HA ALA 29 5.470 9.968 -0.547 232 1HB ALA 29 1HB ALA 29 4.413 12.106 0.295 233 2HB ALA 29 2HB ALA 29 5.819 11.539 1.195 234 3HB ALA 29 3HB ALA 29 4.197 11.276 1.837 235 H PHE 30 H PHE 30 3.150 9.077 1.951 236 HA PHE 30 HA PHE 30 4.977 7.777 3.613 237 1HB PHE 30 2HB PHE 30 2.018 7.369 3.260 238 2HB PHE 30 1HB PHE 30 2.983 6.692 4.570 239 HD1 PHE 30 1HD PHE 30 0.651 9.100 4.153 240 HD2 PHE 30 2HD PHE 30 4.777 8.829 5.398 241 HE1 PHE 30 1HE PHE 30 0.414 11.179 5.443 242 HE2 PHE 30 2HE PHE 30 4.509 10.926 6.663 243 HZ PHE 30 HZ PHE 30 2.335 12.084 6.683 244 H ILE 31 H ILE 31 3.008 6.840 0.858 245 HA ILE 31 HA ILE 31 3.652 4.087 0.904 246 HB ILE 31 HB ILE 31 2.593 5.943 -1.205 247 1HG1 ILE 31 2HG1 ILE 31 1.513 3.377 0.017 248 2HG1 ILE 31 1HG1 ILE 31 1.119 4.992 0.591 249 1HG2 ILE 31 1HG2 ILE 31 3.839 4.621 -2.676 250 2HG2 ILE 31 2HG2 ILE 31 2.367 3.662 -2.553 251 3HG2 ILE 31 3HG2 ILE 31 3.791 3.207 -1.625 252 1HD1 ILE 31 1HD1 ILE 31 -0.619 4.063 -0.935 253 2HD1 ILE 31 2HD1 ILE 31 0.590 3.990 -2.218 254 3HD1 ILE 31 3HD1 ILE 31 0.104 5.550 -1.554 255 H ASP 32 H ASP 32 5.039 6.868 -0.756 256 HA ASP 32 HA ASP 32 7.025 5.433 -2.125 257 1HB ASP 32 2HB ASP 32 6.328 7.813 -2.592 258 2HB ASP 32 1HB ASP 32 7.233 8.297 -1.160 259 H SER 33 H SER 33 6.984 6.872 1.047 260 HA SER 33 HA SER 33 9.713 6.407 1.722 261 1HB SER 33 2HB SER 33 7.261 6.705 3.483 262 2HB SER 33 1HB SER 33 8.934 6.747 4.046 263 HG SER 33 HG SER 33 7.846 8.461 2.062 264 H LEU 34 H LEU 34 6.729 4.636 2.022 265 HA LEU 34 HA LEU 34 7.515 2.321 3.492 266 1HB LEU 34 2HB LEU 34 5.338 3.253 1.734 267 2HB LEU 34 1HB LEU 34 5.609 1.541 1.686 268 HG LEU 34 HG LEU 34 5.631 2.532 4.393 269 1HD1 LEU 34 1HD1 LEU 34 3.368 3.253 2.598 270 2HD1 LEU 34 2HD1 LEU 34 3.976 4.102 4.014 271 3HD1 LEU 34 3HD1 LEU 34 2.980 2.665 4.207 272 1HD2 LEU 34 1HD2 LEU 34 3.727 0.746 4.381 273 2HD2 LEU 34 2HD2 LEU 34 5.398 0.270 4.130 274 3HD2 LEU 34 3HD2 LEU 34 4.323 0.415 2.756 275 H ARG 35 H ARG 35 7.269 2.976 0.049 276 HA ARG 35 HA ARG 35 8.313 0.572 -0.973 277 1HB ARG 35 2HB ARG 35 8.384 3.380 -2.092 278 2HB ARG 35 1HB ARG 35 8.749 1.925 -3.019 279 1HG ARG 35 2HG ARG 35 6.513 1.077 -2.659 280 2HG ARG 35 1HG ARG 35 6.154 2.390 -1.577 281 1HD ARG 35 2HD ARG 35 5.153 2.923 -3.693 282 2HD ARG 35 1HD ARG 35 6.517 4.002 -3.434 283 HE ARG 35 HE ARG 35 7.465 3.092 -5.301 284 1HH1 ARG 35 1HH1 ARG 35 5.295 0.807 -3.890 285 2HH1 ARG 35 2HH1 ARG 35 5.492 -0.360 -5.164 286 1HH2 ARG 35 1HH2 ARG 35 7.671 1.627 -6.989 287 2HH2 ARG 35 2HH2 ARG 35 6.848 0.105 -6.913 288 H ASP 36 H ASP 36 9.879 3.645 -0.184 289 HA ASP 36 HA ASP 36 12.501 2.947 -0.987 290 1HB ASP 36 2HB ASP 36 11.673 5.268 -0.665 291 2HB ASP 36 1HB ASP 36 11.672 4.964 1.061 292 H ASP 37 H ASP 37 10.751 2.746 2.038 293 HA ASP 37 HA ASP 37 12.679 0.814 3.056 294 1HB ASP 37 2HB ASP 37 13.358 3.159 3.837 295 2HB ASP 37 1HB ASP 37 11.880 3.151 4.795 296 HA PRO 38 HA PRO 38 8.480 -0.542 3.888 297 1HB PRO 38 2HB PRO 38 9.502 -3.209 4.040 298 2HB PRO 38 1HB PRO 38 8.491 -2.485 2.802 299 1HG PRO 38 2HG PRO 38 11.128 -3.275 2.508 300 2HG PRO 38 1HG PRO 38 10.217 -2.231 1.408 301 1HD PRO 38 2HD PRO 38 12.286 -1.505 3.392 302 2HD PRO 38 1HD PRO 38 11.754 -0.638 1.932 303 H SER 39 H SER 39 11.412 -1.386 5.619 304 HA SER 39 HA SER 39 10.192 -2.537 7.907 305 1HB SER 39 2HB SER 39 12.653 -2.662 7.348 306 2HB SER 39 1HB SER 39 12.791 -0.971 7.821 307 HG SER 39 HG SER 39 11.823 -1.678 9.866 308 H GLN 40 H GLN 40 10.761 0.674 6.774 309 HA GLN 40 HA GLN 40 10.128 2.055 9.220 310 1HB GLN 40 2HB GLN 40 11.680 2.850 7.347 311 2HB GLN 40 1HB GLN 40 10.220 3.185 6.424 312 1HG GLN 40 2HG GLN 40 9.467 4.780 8.061 313 2HG GLN 40 1HG GLN 40 10.772 4.349 9.166 314 1HE2 GLN 40 1HE2 GLN 40 12.676 5.565 8.963 315 2HE2 GLN 40 2HE2 GLN 40 13.032 6.578 7.649 316 H SER 41 H SER 41 8.275 0.428 6.978 317 HA SER 41 HA SER 41 6.160 1.952 6.214 318 1HB SER 41 2HB SER 41 6.415 -0.383 5.608 319 2HB SER 41 1HB SER 41 6.180 -0.885 7.273 320 HG SER 41 HG SER 41 4.201 -1.069 6.524 321 H ALA 42 H ALA 42 6.491 0.397 9.408 322 HA ALA 42 HA ALA 42 3.941 1.134 10.400 323 1HB ALA 42 1HB ALA 42 6.550 0.533 11.789 324 2HB ALA 42 2HB ALA 42 5.235 -0.602 11.481 325 3HB ALA 42 3HB ALA 42 5.010 0.724 12.623 326 H ASN 43 H ASN 43 7.062 2.657 10.262 327 HA ASN 43 HA ASN 43 6.592 4.793 12.044 328 1HB ASN 43 2HB ASN 43 8.790 3.836 11.117 329 2HB ASN 43 1HB ASN 43 8.464 4.838 9.714 330 1HD2 ASN 43 1HD2 ASN 43 9.797 4.870 12.878 331 2HD2 ASN 43 2HD2 ASN 43 9.965 6.552 13.033 332 H LEU 44 H LEU 44 6.170 4.284 8.647 333 HA LEU 44 HA LEU 44 5.607 6.987 7.893 334 1HB LEU 44 2HB LEU 44 5.026 4.350 6.502 335 2HB LEU 44 1HB LEU 44 5.090 5.954 5.739 336 HG LEU 44 HG LEU 44 7.373 4.861 7.365 337 1HD1 LEU 44 1HD1 LEU 44 7.541 3.330 5.748 338 2HD1 LEU 44 2HD1 LEU 44 8.373 4.655 4.940 339 3HD1 LEU 44 3HD1 LEU 44 6.684 4.312 4.562 340 1HD2 LEU 44 1HD2 LEU 44 8.589 6.581 6.025 341 2HD2 LEU 44 2HD2 LEU 44 7.417 7.179 7.202 342 3HD2 LEU 44 3HD2 LEU 44 7.005 7.141 5.489 343 H LEU 45 H LEU 45 3.904 4.202 8.807 344 HA LEU 45 HA LEU 45 1.248 5.196 8.440 345 1HB LEU 45 2HB LEU 45 1.423 2.861 8.615 346 2HB LEU 45 1HB LEU 45 2.482 2.943 10.019 347 HG LEU 45 HG LEU 45 0.602 3.806 11.373 348 1HD1 LEU 45 1HD1 LEU 45 -0.845 3.622 8.728 349 2HD1 LEU 45 2HD1 LEU 45 -0.748 4.993 9.832 350 3HD1 LEU 45 3HD1 LEU 45 -1.719 3.587 10.258 351 1HD2 LEU 45 1HD2 LEU 45 -0.762 1.717 11.337 352 2HD2 LEU 45 2HD2 LEU 45 0.973 1.405 11.299 353 3HD2 LEU 45 3HD2 LEU 45 0.021 1.266 9.821 354 H ALA 46 H ALA 46 3.678 5.194 10.922 355 HA ALA 46 HA ALA 46 2.214 6.340 13.032 356 1HB ALA 46 1HB ALA 46 5.107 6.968 12.664 357 2HB ALA 46 2HB ALA 46 4.658 5.279 12.900 358 3HB ALA 46 3HB ALA 46 4.255 6.476 14.131 359 H GLU 47 H GLU 47 4.278 7.627 10.540 360 HA GLU 47 HA GLU 47 4.160 10.349 11.189 361 1HB GLU 47 2HB GLU 47 4.748 8.735 8.741 362 2HB GLU 47 1HB GLU 47 4.688 10.495 8.645 363 1HG GLU 47 2HG GLU 47 6.562 8.761 10.247 364 2HG GLU 47 1HG GLU 47 6.957 9.903 8.968 365 H ALA 48 H ALA 48 2.266 8.232 9.172 366 HA ALA 48 HA ALA 48 0.658 10.182 7.961 367 1HB ALA 48 1HB ALA 48 0.785 8.080 6.944 368 2HB ALA 48 2HB ALA 48 -0.824 8.111 7.640 369 3HB ALA 48 3HB ALA 48 0.463 7.235 8.453 370 H LYS 49 H LYS 49 0.264 8.145 10.847 371 HA LYS 49 HA LYS 49 -2.315 9.071 11.561 372 1HB LYS 49 2HB LYS 49 -0.053 7.913 13.193 373 2HB LYS 49 1HB LYS 49 -1.601 8.372 13.904 374 1HG LYS 49 2HG LYS 49 -2.763 6.877 12.292 375 2HG LYS 49 1HG LYS 49 -1.202 6.373 11.656 376 1HD LYS 49 2HD LYS 49 -0.571 5.555 13.925 377 2HD LYS 49 1HD LYS 49 -2.180 5.992 14.501 378 1HE LYS 49 2HE LYS 49 -3.101 4.497 12.639 379 2HE LYS 49 1HE LYS 49 -1.454 3.902 12.440 380 1HZ LYS 49 1HZ LYS 49 -1.470 3.348 14.835 381 2HZ LYS 49 2HZ LYS 49 -2.603 2.464 13.930 382 3HZ LYS 49 3HZ LYS 49 -3.112 3.766 14.895 383 H LYS 50 H LYS 50 0.907 10.349 11.908 384 HA LYS 50 HA LYS 50 0.189 12.408 13.741 385 1HB LYS 50 2HB LYS 50 2.612 11.463 12.467 386 2HB LYS 50 1HB LYS 50 2.515 13.219 12.448 387 1HG LYS 50 2HG LYS 50 3.562 12.766 14.508 388 2HG LYS 50 1HG LYS 50 1.878 13.010 14.957 389 1HD LYS 50 2HD LYS 50 2.127 11.014 16.034 390 2HD LYS 50 1HD LYS 50 1.863 10.327 14.435 391 1HE LYS 50 2HE LYS 50 4.565 10.960 15.668 392 2HE LYS 50 1HE LYS 50 3.869 9.352 15.478 393 1HZ LYS 50 1HZ LYS 50 4.799 11.211 13.378 394 2HZ LYS 50 2HZ LYS 50 3.730 9.941 13.025 395 3HZ LYS 50 3HZ LYS 50 5.271 9.606 13.653 396 H LEU 51 H LEU 51 0.673 12.162 10.289 397 HA LEU 51 HA LEU 51 0.217 14.909 9.757 398 1HB LEU 51 2HB LEU 51 0.505 12.438 8.129 399 2HB LEU 51 1HB LEU 51 -0.365 13.778 7.392 400 HG LEU 51 HG LEU 51 1.945 13.994 6.788 401 1HD1 LEU 51 1HD1 LEU 51 1.853 16.011 8.977 402 2HD1 LEU 51 2HD1 LEU 51 0.544 16.025 7.795 403 3HD1 LEU 51 3HD1 LEU 51 2.213 16.218 7.264 404 1HD2 LEU 51 1HD2 LEU 51 3.164 12.725 8.345 405 2HD2 LEU 51 2HD2 LEU 51 2.424 13.532 9.726 406 3HD2 LEU 51 3HD2 LEU 51 3.625 14.375 8.747 407 H ASN 52 H ASN 52 -1.745 12.013 9.710 408 HA ASN 52 HA ASN 52 -4.134 13.106 8.752 409 1HB ASN 52 2HB ASN 52 -3.728 10.709 8.912 410 2HB ASN 52 1HB ASN 52 -3.647 10.813 10.667 411 1HD2 ASN 52 1HD2 ASN 52 -5.667 11.170 11.833 412 2HD2 ASN 52 2HD2 ASN 52 -7.169 10.975 11.066 413 H ASP 53 H ASP 53 -2.824 12.618 12.011 414 HA ASP 53 HA ASP 53 -5.018 13.687 13.397 415 1HB ASP 53 2HB ASP 53 -3.360 12.315 14.528 416 2HB ASP 53 1HB ASP 53 -2.126 13.540 14.245 417 H ALA 54 H ALA 54 -2.050 15.108 12.161 418 HA ALA 54 HA ALA 54 -2.366 17.697 13.212 419 1HB ALA 54 1HB ALA 54 -0.836 18.335 11.291 420 2HB ALA 54 2HB ALA 54 -0.925 16.652 10.771 421 3HB ALA 54 3HB ALA 54 -0.229 17.053 12.339 422 H GLN 55 H GLN 55 -3.488 16.109 10.272 423 HA GLN 55 HA GLN 55 -4.780 18.517 9.258 424 1HB GLN 55 2HB GLN 55 -4.554 15.662 8.307 425 2HB GLN 55 1HB GLN 55 -5.559 16.861 7.479 426 1HG GLN 55 2HG GLN 55 -3.676 18.249 6.990 427 2HG GLN 55 1HG GLN 55 -2.639 17.362 8.106 428 1HE2 GLN 55 1HE2 GLN 55 -2.465 14.901 7.505 429 2HE2 GLN 55 2HE2 GLN 55 -2.270 14.562 5.855 430 H ALA 56 H ALA 56 -5.510 16.187 11.537 431 HA ALA 56 HA ALA 56 -8.369 16.019 11.017 432 1HB ALA 56 1HB ALA 56 -8.413 14.697 13.126 433 2HB ALA 56 2HB ALA 56 -6.689 15.002 13.328 434 3HB ALA 56 3HB ALA 56 -7.261 14.054 11.958 435 HA PRO 57 HA PRO 57 -9.842 19.622 13.000 436 1HB PRO 57 2HB PRO 57 -11.716 18.205 14.648 437 2HB PRO 57 1HB PRO 57 -12.012 19.057 13.128 438 1HG PRO 57 2HG PRO 57 -11.561 16.203 13.615 439 2HG PRO 57 1HG PRO 57 -12.502 17.011 12.348 440 1HD PRO 57 2HD PRO 57 -10.166 15.895 11.759 441 2HD PRO 57 1HD PRO 57 -10.617 17.468 11.061 442 H LYS 58 H LYS 58 -9.675 20.719 14.817 443 HA LYS 58 HA LYS 58 -8.463 19.435 17.191 444 1HB LYS 58 2HB LYS 58 -7.866 22.172 16.135 445 2HB LYS 58 1HB LYS 58 -7.141 21.442 17.554 446 1HG LYS 58 2HG LYS 58 -6.901 20.350 14.727 447 2HG LYS 58 1HG LYS 58 -5.667 21.310 15.539 448 1HD LYS 58 2HD LYS 58 -5.734 19.530 17.401 449 2HD LYS 58 1HD LYS 58 -6.642 18.538 16.263 450 1HE LYS 58 2HE LYS 58 -3.850 19.652 15.865 451 2HE LYS 58 1HE LYS 58 -4.290 17.959 16.080 452 1HZ LYS 58 1HZ LYS 58 -4.367 17.904 13.869 453 2HZ LYS 58 2HZ LYS 58 -4.404 19.596 13.722 454 3HZ LYS 58 3HZ LYS 58 -5.840 18.733 14.005 455 1H VAL 1 1HT VAL 1 -16.781 -4.894 -2.831 456 2H VAL 1 2HT VAL 1 -15.200 -5.509 -2.910 457 3H VAL 1 3HT VAL 1 -15.726 -4.360 -4.047 458 HA VAL 1 HA VAL 1 -14.492 -3.066 -2.642 459 HB VAL 1 HB VAL 1 -16.893 -2.300 -2.905 460 1HG1 VAL 1 1HG1 VAL 1 -17.208 -3.226 -0.038 461 2HG1 VAL 1 2HG1 VAL 1 -17.815 -4.149 -1.414 462 3HG1 VAL 1 3HG1 VAL 1 -18.440 -2.533 -1.092 463 1HG2 VAL 1 1HG2 VAL 1 -16.728 -0.588 -1.116 464 2HG2 VAL 1 2HG2 VAL 1 -15.184 -0.826 -1.932 465 3HG2 VAL 1 3HG2 VAL 1 -15.457 -1.533 -0.339 466 H ASP 2 H ASP 2 -16.114 -5.693 -1.005 467 HA ASP 2 HA ASP 2 -14.027 -5.687 1.058 468 1HB ASP 2 2HB ASP 2 -15.583 -5.892 2.883 469 2HB ASP 2 1HB ASP 2 -16.004 -4.442 1.978 470 H ASN 3 H ASN 3 -13.320 -7.689 1.508 471 HA ASN 3 HA ASN 3 -14.965 -10.030 1.057 472 1HB ASN 3 2HB ASN 3 -12.320 -9.674 -0.377 473 2HB ASN 3 1HB ASN 3 -13.323 -11.121 -0.402 474 1HD2 ASN 3 1HD2 ASN 3 -15.675 -10.685 -1.249 475 2HD2 ASN 3 2HD2 ASN 3 -15.809 -9.603 -2.550 476 H LYS 4 H LYS 4 -13.761 -12.047 1.710 477 HA LYS 4 HA LYS 4 -12.630 -11.738 4.294 478 1HB LYS 4 2HB LYS 4 -12.305 -14.149 4.240 479 2HB LYS 4 1HB LYS 4 -13.874 -13.760 3.540 480 1HG LYS 4 2HG LYS 4 -12.825 -13.856 1.264 481 2HG LYS 4 1HG LYS 4 -11.323 -14.388 2.018 482 1HD LYS 4 2HD LYS 4 -12.424 -16.381 1.325 483 2HD LYS 4 1HD LYS 4 -12.689 -16.279 3.067 484 1HE LYS 4 2HE LYS 4 -14.925 -15.559 2.803 485 2HE LYS 4 1HE LYS 4 -14.672 -15.108 1.116 486 1HZ LYS 4 1HZ LYS 4 -14.412 -17.428 0.551 487 2HZ LYS 4 2HZ LYS 4 -15.896 -17.200 1.347 488 3HZ LYS 4 3HZ LYS 4 -14.580 -17.883 2.177 489 H PHE 5 H PHE 5 -11.368 -11.605 1.161 490 HA PHE 5 HA PHE 5 -8.704 -12.405 1.557 491 1HB PHE 5 2HB PHE 5 -10.172 -10.791 -0.505 492 2HB PHE 5 1HB PHE 5 -8.411 -10.894 -0.560 493 HD1 PHE 5 1HD PHE 5 -11.326 -13.157 0.079 494 HD2 PHE 5 2HD PHE 5 -7.527 -12.621 -1.854 495 HE1 PHE 5 1HE PHE 5 -11.500 -15.432 -0.904 496 HE2 PHE 5 2HE PHE 5 -7.700 -14.890 -2.832 497 HZ PHE 5 HZ PHE 5 -9.679 -16.297 -2.352 498 H ASN 6 H ASN 6 -10.036 -10.075 3.323 499 HA ASN 6 HA ASN 6 -8.502 -7.748 2.930 500 1HB ASN 6 2HB ASN 6 -10.390 -8.040 4.604 501 2HB ASN 6 1HB ASN 6 -9.238 -8.880 5.640 502 1HD2 ASN 6 1HD2 ASN 6 -7.009 -7.495 5.778 503 2HD2 ASN 6 2HD2 ASN 6 -7.246 -5.851 6.122 504 H LYS 7 H LYS 7 -7.761 -10.716 4.727 505 HA LYS 7 HA LYS 7 -5.200 -9.963 5.669 506 1HB LYS 7 2HB LYS 7 -6.437 -11.957 6.477 507 2HB LYS 7 1HB LYS 7 -6.234 -12.713 4.897 508 1HG LYS 7 2HG LYS 7 -3.789 -12.672 5.167 509 2HG LYS 7 1HG LYS 7 -3.960 -11.853 6.719 510 1HD LYS 7 2HD LYS 7 -3.669 -14.124 7.311 511 2HD LYS 7 1HD LYS 7 -5.411 -13.881 7.417 512 1HE LYS 7 2HE LYS 7 -5.110 -15.928 6.216 513 2HE LYS 7 1HE LYS 7 -5.541 -14.726 5.001 514 1HZ LYS 7 1HZ LYS 7 -3.620 -15.063 3.984 515 2HZ LYS 7 2HZ LYS 7 -3.265 -16.310 5.084 516 3HZ LYS 7 3HZ LYS 7 -2.748 -14.722 5.399 517 H GLU 8 H GLU 8 -6.326 -11.572 2.750 518 HA GLU 8 HA GLU 8 -3.809 -11.974 1.500 519 1HB GLU 8 2HB GLU 8 -6.642 -11.812 0.394 520 2HB GLU 8 1HB GLU 8 -5.238 -12.330 -0.546 521 1HG GLU 8 2HG GLU 8 -6.336 -13.658 1.956 522 2HG GLU 8 1HG GLU 8 -6.411 -14.297 0.313 523 H ARG 9 H ARG 9 -6.108 -9.351 1.546 524 HA ARG 9 HA ARG 9 -5.238 -7.853 -0.668 525 1HB ARG 9 2HB ARG 9 -7.383 -7.612 0.713 526 2HB ARG 9 1HB ARG 9 -6.410 -6.742 1.896 527 1HG ARG 9 2HG ARG 9 -5.656 -5.420 -0.332 528 2HG ARG 9 1HG ARG 9 -7.267 -5.935 -0.826 529 1HD ARG 9 2HD ARG 9 -6.564 -4.317 1.633 530 2HD ARG 9 1HD ARG 9 -7.449 -3.759 0.217 531 HE ARG 9 HE ARG 9 -8.563 -5.977 1.791 532 1HH1 ARG 9 1HH2 ARG 9 -9.692 -3.867 -0.358 533 2HH1 ARG 9 2HH2 ARG 9 -10.850 -3.069 0.652 534 1HH2 ARG 9 1HH1 ARG 9 -9.613 -4.428 3.590 535 2HH2 ARG 9 2HH1 ARG 9 -10.805 -3.387 2.887 536 H VAL 10 H VAL 10 -4.404 -7.831 2.766 537 HA VAL 10 HA VAL 10 -2.746 -5.581 2.872 538 HB VAL 10 HB VAL 10 -2.389 -8.101 4.479 539 1HG1 VAL 10 1HG1 VAL 10 -1.799 -6.309 6.242 540 2HG1 VAL 10 2HG1 VAL 10 -1.592 -5.245 4.849 541 3HG1 VAL 10 3HG1 VAL 10 -0.621 -6.704 4.991 542 1HG2 VAL 10 1HG2 VAL 10 -4.456 -7.829 5.321 543 2HG2 VAL 10 2HG2 VAL 10 -4.712 -6.386 4.347 544 3HG2 VAL 10 3HG2 VAL 10 -3.963 -6.255 5.947 545 H ILE 11 H ILE 11 -2.085 -8.923 2.032 546 HA ILE 11 HA ILE 11 0.754 -8.662 1.882 547 HB ILE 11 HB ILE 11 -0.880 -10.708 0.384 548 1HG1 ILE 11 2HG1 ILE 11 -0.810 -10.170 3.279 549 2HG1 ILE 11 1HG1 ILE 11 -1.902 -11.193 2.359 550 1HG2 ILE 11 1HG2 ILE 11 1.068 -12.098 0.781 551 2HG2 ILE 11 2HG2 ILE 11 1.742 -10.918 1.907 552 3HG2 ILE 11 3HG2 ILE 11 1.655 -10.545 0.183 553 1HD1 ILE 11 1HD1 ILE 11 0.816 -11.914 3.474 554 2HD1 ILE 11 2HD1 ILE 11 -0.013 -12.915 2.277 555 3HD1 ILE 11 3HD1 ILE 11 -0.742 -12.644 3.859 556 H ALA 12 H ALA 12 -1.893 -8.392 -0.508 557 HA ALA 12 HA ALA 12 -0.232 -8.085 -2.802 558 1HB ALA 12 1HB ALA 12 -2.326 -6.979 -3.735 559 2HB ALA 12 2HB ALA 12 -3.077 -7.292 -2.169 560 3HB ALA 12 3HB ALA 12 -2.533 -8.637 -3.169 561 H ILE 13 H ILE 13 -1.771 -5.817 -0.566 562 HA ILE 13 HA ILE 13 -0.925 -3.444 -1.813 563 HB ILE 13 HB ILE 13 -1.344 -4.051 1.143 564 1HG1 ILE 13 2HG1 ILE 13 -3.207 -2.655 -0.756 565 2HG1 ILE 13 1HG1 ILE 13 -3.225 -4.404 -0.590 566 1HG2 ILE 13 1HG2 ILE 13 -0.139 -1.943 0.937 567 2HG2 ILE 13 2HG2 ILE 13 -1.831 -1.591 1.284 568 3HG2 ILE 13 3HG2 ILE 13 -1.205 -1.419 -0.355 569 1HD1 ILE 13 1HD1 ILE 13 -3.681 -4.189 1.802 570 2HD1 ILE 13 2HD1 ILE 13 -4.898 -3.313 0.872 571 3HD1 ILE 13 3HD1 ILE 13 -3.587 -2.439 1.661 572 H GLY 14 H GLY 14 0.579 -5.535 0.601 573 1HA GLY 14 2HA GLY 14 2.994 -4.093 0.930 574 2HA GLY 14 1HA GLY 14 2.778 -5.817 1.227 575 H GLU 15 H GLU 15 1.997 -6.574 -1.386 576 HA GLU 15 HA GLU 15 4.547 -6.940 -2.550 577 1HB GLU 15 2HB GLU 15 2.412 -8.410 -2.645 578 2HB GLU 15 1HB GLU 15 1.991 -7.411 -4.015 579 1HG GLU 15 2HG GLU 15 4.078 -7.977 -5.150 580 2HG GLU 15 1HG GLU 15 4.621 -8.891 -3.746 581 H ILE 16 H ILE 16 1.761 -4.847 -3.354 582 HA ILE 16 HA ILE 16 2.792 -3.846 -5.807 583 HB ILE 16 HB ILE 16 1.501 -1.920 -3.846 584 1HG1 ILE 16 2HG1 ILE 16 0.094 -3.995 -3.880 585 2HG1 ILE 16 1HG1 ILE 16 -0.720 -2.569 -4.464 586 1HG2 ILE 16 1HG2 ILE 16 0.534 -0.981 -5.924 587 2HG2 ILE 16 2HG2 ILE 16 1.366 -2.215 -6.862 588 3HG2 ILE 16 3HG2 ILE 16 2.290 -1.020 -5.965 589 1HD1 ILE 16 1HD1 ILE 16 0.622 -4.582 -6.263 590 2HD1 ILE 16 2HD1 ILE 16 -0.410 -3.227 -6.740 591 3HD1 ILE 16 3HD1 ILE 16 -1.100 -4.600 -5.864 592 H MET 17 H MET 17 3.091 -2.681 -2.533 593 HA MET 17 HA MET 17 4.851 -0.528 -2.876 594 1HB MET 17 2HB MET 17 4.493 -2.296 -0.475 595 2HB MET 17 1HB MET 17 5.095 -0.631 -0.501 596 1HG MET 17 2HG MET 17 2.369 -1.369 -1.575 597 2HG MET 17 1HG MET 17 2.615 -0.906 0.101 598 1HE MET 17 1HE MET 17 4.804 1.920 -0.339 599 2HE MET 17 2HE MET 17 4.039 0.703 0.701 600 3HE MET 17 3HE MET 17 3.280 2.288 0.482 601 H ARG 18 H ARG 18 5.481 -3.992 -2.467 602 HA ARG 18 HA ARG 18 8.270 -3.780 -2.002 603 1HB ARG 18 2HB ARG 18 6.534 -5.995 -2.969 604 2HB ARG 18 1HB ARG 18 8.271 -6.185 -2.856 605 1HG ARG 18 2HG ARG 18 7.426 -5.011 -0.415 606 2HG ARG 18 1HG ARG 18 6.302 -6.312 -0.765 607 1HD ARG 18 2HD ARG 18 9.309 -6.604 -0.782 608 2HD ARG 18 1HD ARG 18 8.271 -7.060 0.564 609 HE ARG 18 HE ARG 18 8.681 -8.557 -1.854 610 1HH1 ARG 18 1HH2 ARG 18 8.063 -9.888 0.723 611 2HH1 ARG 18 2HH2 ARG 18 6.427 -10.416 0.508 612 1HH2 ARG 18 1HH1 ARG 18 5.833 -8.326 -2.189 613 2HH2 ARG 18 2HH1 ARG 18 5.164 -9.531 -1.143 614 H LEU 19 H LEU 19 6.323 -4.000 -4.947 615 HA LEU 19 HA LEU 19 8.324 -4.548 -6.819 616 1HB LEU 19 2HB LEU 19 5.931 -2.747 -7.147 617 2HB LEU 19 1HB LEU 19 6.907 -3.357 -8.449 618 HG LEU 19 HG LEU 19 5.435 -5.139 -6.503 619 1HD1 LEU 19 1HD1 LEU 19 4.653 -4.098 -9.235 620 2HD1 LEU 19 2HD1 LEU 19 3.794 -3.848 -7.709 621 3HD1 LEU 19 3HD1 LEU 19 3.853 -5.451 -8.428 622 1HD2 LEU 19 1HD2 LEU 19 5.692 -6.712 -8.511 623 2HD2 LEU 19 2HD2 LEU 19 7.151 -6.365 -7.574 624 3HD2 LEU 19 3HD2 LEU 19 6.875 -5.545 -9.106 625 HA PRO 20 HA PRO 20 10.616 -0.755 -6.113 626 1HB PRO 20 2HB PRO 20 12.765 -1.867 -7.678 627 2HB PRO 20 1HB PRO 20 12.674 -1.646 -5.929 628 1HG PRO 20 2HG PRO 20 12.717 -4.059 -7.209 629 2HG PRO 20 1HG PRO 20 12.075 -3.785 -5.581 630 1HD PRO 20 2HD PRO 20 10.604 -4.073 -8.164 631 2HD PRO 20 1HD PRO 20 10.167 -4.638 -6.536 632 H ASN 21 H ASN 21 8.990 -1.537 -8.856 633 HA ASN 21 HA ASN 21 10.364 0.585 -10.423 634 1HB ASN 21 2HB ASN 21 8.828 -1.749 -11.537 635 2HB ASN 21 1HB ASN 21 9.676 -0.519 -12.455 636 1HD2 ASN 21 1HD2 ASN 21 10.104 -3.557 -12.129 637 2HD2 ASN 21 2HD2 ASN 21 11.756 -3.689 -11.755 638 H LEU 22 H LEU 22 7.408 -0.365 -8.913 639 HA LEU 22 HA LEU 22 5.642 1.093 -10.641 640 1HB LEU 22 2HB LEU 22 5.246 0.218 -7.782 641 2HB LEU 22 1HB LEU 22 4.004 0.942 -8.777 642 HG LEU 22 HG LEU 22 5.399 -1.705 -9.204 643 1HD1 LEU 22 1HD1 LEU 22 3.575 -1.842 -7.620 644 2HD1 LEU 22 2HD1 LEU 22 2.982 -2.482 -9.155 645 3HD1 LEU 22 3HD1 LEU 22 2.540 -0.853 -8.648 646 1HD2 LEU 22 1HD2 LEU 22 3.618 -1.703 -11.129 647 2HD2 LEU 22 2HD2 LEU 22 5.188 -0.936 -11.380 648 3HD2 LEU 22 3HD2 LEU 22 3.767 0.041 -10.990 649 H ASN 23 H ASN 23 4.403 2.914 -10.044 650 HA ASN 23 HA ASN 23 6.013 5.054 -8.834 651 1HB ASN 23 2HB ASN 23 5.240 5.939 -10.801 652 2HB ASN 23 1HB ASN 23 3.969 4.765 -10.948 653 1HD2 ASN 23 1HD2 ASN 23 2.360 6.269 -11.567 654 2HD2 ASN 23 2HD2 ASN 23 1.773 7.461 -10.517 655 H SER 24 H SER 24 5.013 6.458 -7.206 656 HA SER 24 HA SER 24 3.661 5.058 -5.163 657 1HB SER 24 2HB SER 24 3.240 7.370 -4.214 658 2HB SER 24 1HB SER 24 4.925 7.004 -4.567 659 HG SER 24 HG SER 24 4.845 8.286 -6.322 660 H LEU 25 H LEU 25 2.509 7.282 -7.652 661 HA LEU 25 HA LEU 25 -0.235 7.206 -6.943 662 1HB LEU 25 2HB LEU 25 1.375 8.517 -8.894 663 2HB LEU 25 1HB LEU 25 0.076 7.702 -9.717 664 HG LEU 25 HG LEU 25 -0.362 9.417 -7.329 665 1HD1 LEU 25 1HD1 LEU 25 -1.102 11.177 -8.905 666 2HD1 LEU 25 2HD1 LEU 25 -0.583 10.165 -10.253 667 3HD1 LEU 25 3HD1 LEU 25 0.607 10.800 -9.116 668 1HD2 LEU 25 1HD2 LEU 25 -2.659 9.428 -8.716 669 2HD2 LEU 25 2HD2 LEU 25 -2.271 8.193 -7.519 670 3HD2 LEU 25 3HD2 LEU 25 -2.005 7.873 -9.231 671 H GLN 26 H GLN 26 1.834 5.309 -9.130 672 HA GLN 26 HA GLN 26 -0.265 3.841 -10.363 673 1HB GLN 26 2HB GLN 26 2.662 3.458 -10.015 674 2HB GLN 26 1HB GLN 26 1.711 2.051 -10.456 675 1HG GLN 26 2HG GLN 26 0.855 3.198 -12.436 676 2HG GLN 26 1HG GLN 26 1.708 4.673 -11.982 677 1HE2 GLN 26 1HE2 GLN 26 3.671 2.131 -11.049 678 2HE2 GLN 26 2HE2 GLN 26 4.636 2.034 -12.437 679 H VAL 27 H VAL 27 1.663 3.399 -7.491 680 HA VAL 27 HA VAL 27 0.713 0.844 -6.789 681 HB VAL 27 HB VAL 27 2.025 3.023 -5.173 682 1HG1 VAL 27 1HG1 VAL 27 1.305 1.887 -3.341 683 2HG1 VAL 27 2HG1 VAL 27 2.430 0.625 -3.834 684 3HG1 VAL 27 3HG1 VAL 27 0.735 0.523 -4.300 685 1HG2 VAL 27 1HG2 VAL 27 3.910 2.171 -6.076 686 2HG2 VAL 27 2HG2 VAL 27 2.912 1.123 -7.087 687 3HG2 VAL 27 3HG2 VAL 27 3.478 0.556 -5.518 688 H VAL 28 H VAL 28 -0.270 4.106 -5.937 689 HA VAL 28 HA VAL 28 -2.333 3.403 -4.159 690 HB VAL 28 HB VAL 28 -2.115 5.792 -6.020 691 1HG1 VAL 28 1HG1 VAL 28 -3.592 6.151 -3.535 692 2HG1 VAL 28 2HG1 VAL 28 -4.295 4.878 -4.530 693 3HG1 VAL 28 3HG1 VAL 28 -4.090 6.498 -5.193 694 1HG2 VAL 28 1HG2 VAL 28 -1.671 6.247 -3.162 695 2HG2 VAL 28 2HG2 VAL 28 -0.659 6.701 -4.533 696 3HG2 VAL 28 3HG2 VAL 28 -0.509 5.097 -3.820 697 H ALA 29 H ALA 29 -2.061 3.546 -7.652 698 HA ALA 29 HA ALA 29 -4.763 3.369 -8.384 699 1HB ALA 29 1HB ALA 29 -2.828 1.848 -10.040 700 2HB ALA 29 2HB ALA 29 -2.371 3.524 -9.725 701 3HB ALA 29 3HB ALA 29 -3.918 3.164 -10.495 702 H PHE 30 H PHE 30 -2.302 0.874 -7.724 703 HA PHE 30 HA PHE 30 -4.079 -1.269 -8.154 704 1HB PHE 30 2HB PHE 30 -1.354 -1.091 -6.840 705 2HB PHE 30 1HB PHE 30 -2.200 -2.598 -7.192 706 HD1 PHE 30 1HD PHE 30 0.233 -0.417 -8.396 707 HD2 PHE 30 2HD PHE 30 -3.181 -2.654 -9.849 708 HE1 PHE 30 1HE PHE 30 1.071 -0.246 -10.682 709 HE2 PHE 30 2HE PHE 30 -2.291 -2.455 -12.128 710 HZ PHE 30 HZ PHE 30 -0.177 -1.268 -12.559 711 H ILE 31 H ILE 31 -2.861 0.412 -5.263 712 HA ILE 31 HA ILE 31 -4.005 -1.240 -3.293 713 HB ILE 31 HB ILE 31 -3.472 1.747 -3.250 714 1HG1 ILE 31 2HG1 ILE 31 -1.854 -0.487 -1.997 715 2HG1 ILE 31 1HG1 ILE 31 -1.503 0.140 -3.598 716 1HG2 ILE 31 1HG2 ILE 31 -5.039 1.253 -1.482 717 2HG2 ILE 31 2HG2 ILE 31 -3.443 1.392 -0.742 718 3HG2 ILE 31 3HG2 ILE 31 -4.145 -0.199 -1.031 719 1HD1 ILE 31 1HD1 ILE 31 -1.600 1.791 -1.050 720 2HD1 ILE 31 2HD1 ILE 31 -1.236 2.406 -2.667 721 3HD1 ILE 31 3HD1 ILE 31 -0.120 1.282 -1.878 722 H ASN 32 H ASN 32 -5.252 1.676 -4.875 723 HA ASN 32 HA ASN 32 -7.716 1.847 -3.579 724 1HB ASN 32 2HB ASN 32 -6.669 3.574 -5.067 725 2HB ASN 32 1HB ASN 32 -7.126 2.592 -6.452 726 1HD2 ASN 32 1HD2 ASN 32 -8.459 4.463 -7.104 727 2HD2 ASN 32 2HD2 ASN 32 -9.987 4.697 -6.402 728 H SER 33 H SER 33 -6.699 -0.203 -6.300 729 HA SER 33 HA SER 33 -9.259 -0.990 -7.184 730 1HB SER 33 2HB SER 33 -6.780 -2.589 -7.175 731 2HB SER 33 1HB SER 33 -8.143 -2.797 -8.258 732 HG SER 33 HG SER 33 -6.500 -0.480 -8.071 733 H LEU 34 H LEU 34 -7.065 -2.134 -4.709 734 HA LEU 34 HA LEU 34 -8.448 -4.514 -4.050 735 1HB LEU 34 2HB LEU 34 -6.975 -2.919 -1.970 736 2HB LEU 34 1HB LEU 34 -7.027 -4.656 -2.204 737 HG LEU 34 HG LEU 34 -5.563 -2.672 -3.949 738 1HD1 LEU 34 1HD1 LEU 34 -3.601 -3.378 -3.001 739 2HD1 LEU 34 2HD1 LEU 34 -4.271 -4.948 -2.512 740 3HD1 LEU 34 3HD1 LEU 34 -4.708 -3.483 -1.631 741 1HD2 LEU 34 1HD2 LEU 34 -5.121 -5.577 -4.261 742 2HD2 LEU 34 2HD2 LEU 34 -5.129 -4.302 -5.462 743 3HD2 LEU 34 3HD2 LEU 34 -6.646 -4.952 -4.876 744 H ARG 35 H ARG 35 -8.552 -1.206 -3.049 745 HA ARG 35 HA ARG 35 -10.574 -1.320 -1.041 746 1HB ARG 35 2HB ARG 35 -8.976 0.632 -2.253 747 2HB ARG 35 1HB ARG 35 -10.609 1.086 -2.713 748 1HG ARG 35 2HG ARG 35 -11.151 1.730 -0.610 749 2HG ARG 35 1HG ARG 35 -10.360 0.340 0.128 750 1HD ARG 35 2HD ARG 35 -8.192 1.730 -0.770 751 2HD ARG 35 1HD ARG 35 -9.302 3.051 -0.423 752 HE ARG 35 HE ARG 35 -7.991 1.356 1.496 753 1HH1 ARG 35 1HH1 ARG 35 -8.605 4.200 2.067 754 2HH1 ARG 35 2HH1 ARG 35 -9.930 4.099 3.178 755 1HH2 ARG 35 1HH2 ARG 35 -10.669 0.806 2.401 756 2HH2 ARG 35 2HH2 ARG 35 -11.099 2.177 3.367 757 H ASP 36 H ASP 36 -10.644 -0.801 -4.520 758 HA ASP 36 HA ASP 36 -13.423 -0.413 -4.833 759 1HB ASP 36 2HB ASP 36 -11.323 -1.467 -6.757 760 2HB ASP 36 1HB ASP 36 -12.946 -0.958 -7.223 761 H ASP 37 H ASP 37 -11.372 -3.271 -4.843 762 HA ASP 37 HA ASP 37 -13.460 -5.030 -4.049 763 1HB ASP 37 2HB ASP 37 -12.954 -4.769 -6.945 764 2HB ASP 37 1HB ASP 37 -12.881 -6.423 -6.341 765 HA PRO 38 HA PRO 38 -9.402 -6.497 -2.789 766 1HB PRO 38 2HB PRO 38 -10.726 -8.077 -0.803 767 2HB PRO 38 1HB PRO 38 -9.743 -6.630 -0.579 768 1HG PRO 38 2HG PRO 38 -12.519 -6.886 -0.261 769 2HG PRO 38 1HG PRO 38 -11.560 -5.409 -0.182 770 1HD PRO 38 2HD PRO 38 -13.368 -6.291 -2.278 771 2HD PRO 38 1HD PRO 38 -12.572 -4.720 -2.078 772 H SER 39 H SER 39 -12.068 -8.054 -4.143 773 HA SER 39 HA SER 39 -11.467 -10.782 -3.848 774 1HB SER 39 2HB SER 39 -12.840 -9.377 -6.156 775 2HB SER 39 1HB SER 39 -12.894 -11.107 -5.824 776 HG SER 39 HG SER 39 -13.725 -9.085 -4.009 777 H GLN 40 H GLN 40 -10.495 -8.388 -6.288 778 HA GLN 40 HA GLN 40 -8.659 -10.361 -7.394 779 1HB GLN 40 2HB GLN 40 -8.984 -7.919 -8.966 780 2HB GLN 40 1HB GLN 40 -9.048 -9.590 -9.455 781 1HG GLN 40 2HG GLN 40 -11.250 -9.090 -9.827 782 2HG GLN 40 1HG GLN 40 -11.387 -9.507 -8.126 783 1HE2 GLN 40 1HE2 GLN 40 -9.859 -6.889 -7.454 784 2HE2 GLN 40 2HE2 GLN 40 -11.047 -5.687 -7.612 785 H SER 41 H SER 41 -8.060 -8.866 -4.944 786 HA SER 41 HA SER 41 -6.382 -6.700 -5.461 787 1HB SER 41 2HB SER 41 -6.253 -8.805 -3.284 788 2HB SER 41 1HB SER 41 -5.247 -7.362 -3.290 789 HG SER 41 HG SER 41 -7.334 -6.212 -3.498 790 H ALA 42 H ALA 42 -5.867 -10.091 -5.624 791 HA ALA 42 HA ALA 42 -3.044 -10.078 -6.021 792 1HB ALA 42 1HB ALA 42 -5.042 -12.172 -6.889 793 2HB ALA 42 2HB ALA 42 -4.467 -12.013 -5.227 794 3HB ALA 42 3HB ALA 42 -3.330 -12.406 -6.520 795 H ASN 43 H ASN 43 -5.847 -9.735 -8.068 796 HA ASN 43 HA ASN 43 -4.696 -10.374 -10.561 797 1HB ASN 43 2HB ASN 43 -7.108 -10.281 -9.946 798 2HB ASN 43 1HB ASN 43 -6.968 -8.523 -10.035 799 1HD2 ASN 43 1HD2 ASN 43 -6.457 -11.477 -12.035 800 2HD2 ASN 43 2HD2 ASN 43 -6.764 -10.704 -13.514 801 H LEU 44 H LEU 44 -5.526 -7.222 -9.123 802 HA LEU 44 HA LEU 44 -4.137 -5.933 -11.208 803 1HB LEU 44 2HB LEU 44 -4.850 -3.866 -10.382 804 2HB LEU 44 1HB LEU 44 -6.183 -4.980 -10.227 805 HG LEU 44 HG LEU 44 -5.802 -3.384 -8.387 806 1HD1 LEU 44 1HD1 LEU 44 -7.037 -5.690 -8.364 807 2HD1 LEU 44 2HD1 LEU 44 -6.785 -4.799 -6.857 808 3HD1 LEU 44 3HD1 LEU 44 -5.711 -6.151 -7.295 809 1HD2 LEU 44 1HD2 LEU 44 -3.258 -3.994 -8.321 810 2HD2 LEU 44 2HD2 LEU 44 -3.835 -5.206 -7.179 811 3HD2 LEU 44 3HD2 LEU 44 -4.129 -3.498 -6.891 812 H LEU 45 H LEU 45 -3.417 -7.154 -8.115 813 HA LEU 45 HA LEU 45 -0.968 -5.770 -7.651 814 1HB LEU 45 2HB LEU 45 -1.683 -7.049 -5.796 815 2HB LEU 45 1HB LEU 45 -2.135 -8.414 -6.805 816 HG LEU 45 HG LEU 45 0.223 -8.901 -7.251 817 1HD1 LEU 45 1HD1 LEU 45 1.060 -6.582 -7.100 818 2HD1 LEU 45 2HD1 LEU 45 1.989 -7.666 -6.085 819 3HD1 LEU 45 3HD1 LEU 45 0.785 -6.601 -5.362 820 1HD2 LEU 45 1HD2 LEU 45 -0.001 -10.215 -5.450 821 2HD2 LEU 45 2HD2 LEU 45 -1.078 -9.057 -4.674 822 3HD2 LEU 45 3HD2 LEU 45 0.661 -8.919 -4.463 823 H ALA 46 H ALA 46 -2.179 -8.405 -9.496 824 HA ALA 46 HA ALA 46 0.274 -9.438 -10.513 825 1HB ALA 46 1HB ALA 46 -1.901 -9.699 -12.411 826 2HB ALA 46 2HB ALA 46 -2.489 -10.053 -10.789 827 3HB ALA 46 3HB ALA 46 -1.124 -10.955 -11.452 828 H GLU 47 H GLU 47 -2.045 -7.013 -11.529 829 HA GLU 47 HA GLU 47 -0.867 -6.228 -13.965 830 1HB GLU 47 2HB GLU 47 -2.603 -4.683 -12.020 831 2HB GLU 47 1HB GLU 47 -2.141 -4.097 -13.610 832 1HG GLU 47 2HG GLU 47 -3.757 -6.569 -12.996 833 2HG GLU 47 1HG GLU 47 -4.369 -5.055 -13.642 834 H ALA 48 H ALA 48 -0.288 -5.456 -10.615 835 HA ALA 48 HA ALA 48 1.217 -3.090 -10.998 836 1HB ALA 48 1HB ALA 48 1.027 -3.034 -8.767 837 2HB ALA 48 2HB ALA 48 1.806 -4.605 -8.601 838 3HB ALA 48 3HB ALA 48 0.072 -4.510 -8.896 839 H LYS 49 H LYS 49 2.055 -6.450 -10.303 840 HA LYS 49 HA LYS 49 4.857 -5.984 -10.343 841 1HB LYS 49 2HB LYS 49 5.050 -8.429 -10.448 842 2HB LYS 49 1HB LYS 49 3.866 -7.907 -9.246 843 1HG LYS 49 2HG LYS 49 2.055 -8.450 -10.615 844 2HG LYS 49 1HG LYS 49 3.068 -8.661 -12.036 845 1HD LYS 49 2HD LYS 49 2.419 -10.857 -11.142 846 2HD LYS 49 1HD LYS 49 4.155 -10.617 -10.969 847 1HE LYS 49 2HE LYS 49 3.158 -11.578 -8.913 848 2HE LYS 49 1HE LYS 49 3.851 -9.988 -8.607 849 1HZ LYS 49 1HZ LYS 49 1.685 -10.168 -7.601 850 2HZ LYS 49 2HZ LYS 49 0.983 -10.589 -9.090 851 3HZ LYS 49 3HZ LYS 49 1.629 -9.034 -8.862 852 H LYS 50 H LYS 50 2.438 -6.590 -12.785 853 HA LYS 50 HA LYS 50 4.270 -7.035 -14.951 854 1HB LYS 50 2HB LYS 50 1.373 -6.265 -14.821 855 2HB LYS 50 1HB LYS 50 2.252 -6.348 -16.345 856 1HG LYS 50 2HG LYS 50 2.934 -8.727 -15.638 857 2HG LYS 50 1HG LYS 50 1.688 -8.603 -14.407 858 1HD LYS 50 2HD LYS 50 1.218 -8.212 -17.378 859 2HD LYS 50 1HD LYS 50 0.880 -9.700 -16.502 860 1HE LYS 50 2HE LYS 50 -0.382 -7.008 -15.888 861 2HE LYS 50 1HE LYS 50 -1.155 -8.298 -16.804 862 1HZ LYS 50 1HZ LYS 50 -1.741 -8.227 -14.401 863 2HZ LYS 50 2HZ LYS 50 -0.134 -8.646 -14.043 864 3HZ LYS 50 3HZ LYS 50 -1.116 -9.714 -14.926 865 H LEU 51 H LEU 51 2.662 -4.267 -13.475 866 HA LEU 51 HA LEU 51 3.537 -2.365 -15.431 867 1HB LEU 51 2HB LEU 51 2.050 -2.315 -12.930 868 2HB LEU 51 1HB LEU 51 3.212 -0.997 -13.008 869 HG LEU 51 HG LEU 51 1.007 -0.415 -13.990 870 1HD1 LEU 51 1HD1 LEU 51 2.609 1.000 -14.819 871 2HD1 LEU 51 2HD1 LEU 51 2.198 0.184 -16.331 872 3HD1 LEU 51 3HD1 LEU 51 3.629 -0.316 -15.419 873 1HD2 LEU 51 1HD2 LEU 51 -0.002 -1.972 -15.285 874 2HD2 LEU 51 2HD2 LEU 51 1.466 -2.950 -15.348 875 3HD2 LEU 51 3HD2 LEU 51 1.213 -1.658 -16.525 876 H ASN 52 H ASN 52 4.677 -3.568 -12.404 877 HA ASN 52 HA ASN 52 6.920 -1.917 -12.013 878 1HB ASN 52 2HB ASN 52 6.264 -3.310 -10.226 879 2HB ASN 52 1HB ASN 52 6.158 -4.727 -11.245 880 1HD2 ASN 52 1HD2 ASN 52 8.344 -2.661 -9.509 881 2HD2 ASN 52 2HD2 ASN 52 9.709 -3.649 -9.656 882 H ASP 53 H ASP 53 6.285 -4.934 -13.585 883 HA ASP 53 HA ASP 53 8.894 -5.417 -14.630 884 1HB ASP 53 2HB ASP 53 7.004 -7.108 -14.510 885 2HB ASP 53 1HB ASP 53 6.312 -6.307 -15.921 886 H ALA 54 H ALA 54 6.117 -3.622 -15.771 887 HA ALA 54 HA ALA 54 6.954 -3.116 -18.415 888 1HB ALA 54 1HB ALA 54 5.137 -1.674 -18.533 889 2HB ALA 54 2HB ALA 54 5.301 -1.166 -16.853 890 3HB ALA 54 3HB ALA 54 4.653 -2.762 -17.232 891 H GLN 55 H GLN 55 7.481 -1.452 -15.340 892 HA GLN 55 HA GLN 55 9.061 0.648 -16.610 893 1HB GLN 55 2HB GLN 55 8.281 0.089 -13.790 894 2HB GLN 55 1HB GLN 55 9.248 1.470 -14.268 895 1HG GLN 55 2HG GLN 55 7.474 2.492 -15.360 896 2HG GLN 55 1HG GLN 55 6.664 0.960 -15.687 897 1HE2 GLN 55 1HE2 GLN 55 6.050 -0.241 -13.497 898 2HE2 GLN 55 2HE2 GLN 55 5.301 0.746 -12.341 899 H ALA 56 H ALA 56 9.550 -2.463 -15.472 900 HA ALA 56 HA ALA 56 12.154 -2.187 -14.288 901 1HB ALA 56 1HB ALA 56 11.010 -4.673 -15.565 902 2HB ALA 56 2HB ALA 56 10.542 -4.138 -13.956 903 3HB ALA 56 3HB ALA 56 12.214 -4.573 -14.286 904 HA PRO 57 HA PRO 57 14.633 -2.256 -17.877 905 1HB PRO 57 2HB PRO 57 16.676 -3.973 -16.786 906 2HB PRO 57 1HB PRO 57 16.644 -2.208 -16.837 907 1HG PRO 57 2HG PRO 57 16.491 -3.712 -14.554 908 2HG PRO 57 1HG PRO 57 15.937 -2.038 -14.713 909 1HD PRO 57 2HD PRO 57 14.337 -4.569 -14.778 910 2HD PRO 57 1HD PRO 57 13.938 -2.992 -14.056 911 H LYS 58 H LYS 58 12.609 -4.263 -17.842 912 HA LYS 58 HA LYS 58 13.760 -6.677 -18.986 913 1HB LYS 58 2HB LYS 58 11.107 -5.837 -18.018 914 2HB LYS 58 1HB LYS 58 11.119 -7.036 -19.302 915 1HG LYS 58 2HG LYS 58 11.189 -8.326 -17.320 916 2HG LYS 58 1HG LYS 58 12.867 -8.283 -17.854 917 1HD LYS 58 2HD LYS 58 12.537 -5.976 -16.257 918 2HD LYS 58 1HD LYS 58 11.702 -7.263 -15.391 919 1HE LYS 58 2HE LYS 58 13.925 -7.409 -14.611 920 2HE LYS 58 1HE LYS 58 13.835 -8.670 -15.841 921 1HZ LYS 58 1HZ LYS 58 14.787 -7.125 -17.439 922 2HZ LYS 58 2HZ LYS 58 15.819 -7.317 -16.105 923 3HZ LYS 58 3HZ LYS 58 14.872 -5.915 -16.254 Start of MODEL 11 1 1H VAL 1 1HT VAL 1 12.825 -11.342 3.945 2 2H VAL 1 2HT VAL 1 14.299 -11.789 4.663 3 3H VAL 1 3HT VAL 1 12.911 -11.589 5.621 4 HA VAL 1 HA VAL 1 13.034 -13.596 3.457 5 HB VAL 1 HB VAL 1 14.905 -14.000 5.038 6 1HG1 VAL 1 1HG1 VAL 1 12.797 -14.331 7.191 7 2HG1 VAL 1 2HG1 VAL 1 13.742 -12.855 6.997 8 3HG1 VAL 1 3HG1 VAL 1 14.550 -14.373 7.378 9 1HG2 VAL 1 1HG2 VAL 1 12.643 -15.971 5.504 10 2HG2 VAL 1 2HG2 VAL 1 14.372 -16.309 5.534 11 3HG2 VAL 1 3HG2 VAL 1 13.583 -15.894 4.013 12 H ASP 2 H ASP 2 11.674 -12.293 6.440 13 HA ASP 2 HA ASP 2 9.409 -14.068 6.521 14 1HB ASP 2 2HB ASP 2 8.635 -12.629 8.330 15 2HB ASP 2 1HB ASP 2 10.355 -12.955 8.538 16 H ASN 3 H ASN 3 7.157 -13.137 6.522 17 HA ASN 3 HA ASN 3 6.813 -11.355 4.190 18 1HB ASN 3 2HB ASN 3 4.655 -12.356 3.881 19 2HB ASN 3 1HB ASN 3 5.804 -13.669 4.124 20 1HD2 ASN 3 1HD2 ASN 3 5.870 -14.628 6.377 21 2HD2 ASN 3 2HD2 ASN 3 4.462 -14.582 7.323 22 H LYS 4 H LYS 4 6.796 -11.286 7.517 23 HA LYS 4 HA LYS 4 4.490 -9.806 8.169 24 1HB LYS 4 2HB LYS 4 6.023 -10.881 9.827 25 2HB LYS 4 1HB LYS 4 7.196 -9.602 9.509 26 1HG LYS 4 2HG LYS 4 5.502 -7.904 10.156 27 2HG LYS 4 1HG LYS 4 4.364 -9.201 10.522 28 1HD LYS 4 2HD LYS 4 5.985 -10.091 12.203 29 2HD LYS 4 1HD LYS 4 7.028 -8.702 11.886 30 1HE LYS 4 2HE LYS 4 4.133 -8.317 12.632 31 2HE LYS 4 1HE LYS 4 5.362 -8.546 13.878 32 1HZ LYS 4 1HZ LYS 4 5.039 -6.206 13.421 33 2HZ LYS 4 2HZ LYS 4 5.377 -6.447 11.773 34 3HZ LYS 4 3HZ LYS 4 6.594 -6.677 12.935 35 H PHE 5 H PHE 5 7.764 -8.696 7.258 36 HA PHE 5 HA PHE 5 7.211 -5.959 7.516 37 1HB PHE 5 2HB PHE 5 9.314 -5.563 6.666 38 2HB PHE 5 1HB PHE 5 9.500 -7.224 7.212 39 HD1 PHE 5 1HD PHE 5 9.355 -4.988 4.314 40 HD2 PHE 5 2HD PHE 5 9.438 -9.102 5.563 41 HE1 PHE 5 1HE PHE 5 9.961 -5.677 2.014 42 HE2 PHE 5 2HE PHE 5 10.045 -9.785 3.258 43 HZ PHE 5 HZ PHE 5 10.307 -8.075 1.487 44 H ASN 6 H ASN 6 6.859 -8.198 4.790 45 HA ASN 6 HA ASN 6 6.146 -6.249 2.842 46 1HB ASN 6 2HB ASN 6 6.878 -8.576 2.347 47 2HB ASN 6 1HB ASN 6 5.352 -9.157 3.003 48 1HD2 ASN 6 1HD2 ASN 6 4.625 -10.009 0.967 49 2HD2 ASN 6 2HD2 ASN 6 4.189 -8.998 -0.330 50 H LYS 7 H LYS 7 4.293 -8.360 5.009 51 HA LYS 7 HA LYS 7 1.730 -7.571 4.133 52 1HB LYS 7 2HB LYS 7 2.362 -9.606 5.573 53 2HB LYS 7 1HB LYS 7 2.395 -8.490 6.937 54 1HG LYS 7 2HG LYS 7 0.079 -7.928 6.648 55 2HG LYS 7 1HG LYS 7 0.009 -8.746 5.088 56 1HD LYS 7 2HD LYS 7 0.885 -10.449 7.351 57 2HD LYS 7 1HD LYS 7 -0.783 -9.885 7.446 58 1HE LYS 7 2HE LYS 7 -1.234 -10.772 5.189 59 2HE LYS 7 1HE LYS 7 0.449 -11.287 5.059 60 1HZ LYS 7 1HZ LYS 7 -1.328 -12.206 7.238 61 2HZ LYS 7 2HZ LYS 7 0.172 -12.851 6.768 62 3HZ LYS 7 3HZ LYS 7 -1.188 -13.036 5.766 63 H GLU 8 H GLU 8 3.965 -6.397 6.604 64 HA GLU 8 HA GLU 8 2.185 -4.414 7.612 65 1HB GLU 8 2HB GLU 8 3.995 -5.264 8.989 66 2HB GLU 8 1HB GLU 8 5.190 -4.649 7.848 67 1HG GLU 8 2HG GLU 8 4.237 -2.327 8.270 68 2HG GLU 8 1HG GLU 8 3.273 -3.034 9.565 69 H LEU 9 H LEU 9 4.731 -4.465 5.226 70 HA LEU 9 HA LEU 9 4.859 -1.690 4.612 71 1HB LEU 9 2HB LEU 9 6.557 -3.225 3.772 72 2HB LEU 9 1HB LEU 9 5.341 -4.154 2.897 73 HG LEU 9 HG LEU 9 4.810 -1.922 1.678 74 1HD1 LEU 9 1HD1 LEU 9 6.740 -0.897 3.437 75 2HD1 LEU 9 2HD1 LEU 9 6.095 -0.130 1.978 76 3HD1 LEU 9 3HD1 LEU 9 7.570 -1.051 1.882 77 1HD2 LEU 9 1HD2 LEU 9 5.844 -3.763 0.557 78 2HD2 LEU 9 2HD2 LEU 9 7.407 -3.396 1.287 79 3HD2 LEU 9 3HD2 LEU 9 6.693 -2.287 0.111 80 H GLY 10 H GLY 10 2.828 -4.342 3.539 81 1HA GLY 10 2HA GLY 10 1.320 -2.770 1.731 82 2HA GLY 10 1HA GLY 10 0.942 -4.390 2.281 83 H TRP 11 H TRP 11 0.921 -3.955 5.060 84 HA TRP 11 HA TRP 11 -1.668 -2.958 5.231 85 1HB TRP 11 2HB TRP 11 -0.469 -4.728 6.767 86 2HB TRP 11 1HB TRP 11 -0.268 -3.296 7.778 87 HD1 TRP 11 HD TRP 11 -2.109 -3.840 9.520 88 HE1 TRP 11 1HE TRP 11 -4.682 -3.968 9.433 89 HE3 TRP 11 3HE TRP 11 -2.934 -3.746 4.438 90 HZ2 TRP 11 2HZ TRP 11 -6.789 -3.957 7.519 91 HZ3 TRP 11 3HZ TRP 11 -5.174 -3.757 3.525 92 HH2 TRP 11 HH TRP 11 -7.144 -3.882 5.061 93 H ALA 12 H ALA 12 1.282 -1.627 6.565 94 HA ALA 12 HA ALA 12 0.024 0.558 7.727 95 1HB ALA 12 1HB ALA 12 2.654 -0.325 7.401 96 2HB ALA 12 2HB ALA 12 2.134 1.064 8.330 97 3HB ALA 12 3HB ALA 12 2.631 1.270 6.652 98 H THR 13 H THR 13 1.095 -0.062 4.420 99 HA THR 13 HA THR 13 0.710 2.458 3.231 100 HB THR 13 HB THR 13 0.501 -0.375 2.296 101 HG1 THR 13 1HG THR 13 2.530 0.227 2.448 102 1HG2 THR 13 1HG2 THR 13 -0.099 2.135 0.735 103 2HG2 THR 13 2HG2 THR 13 -1.090 0.679 0.875 104 3HG2 THR 13 3HG2 THR 13 0.421 0.637 -0.033 105 H TRP 14 H TRP 14 -1.536 -0.229 3.768 106 HA TRP 14 HA TRP 14 -3.847 0.977 2.655 107 1HB TRP 14 2HB TRP 14 -3.424 -1.466 3.263 108 2HB TRP 14 1HB TRP 14 -3.794 -1.015 4.911 109 HD1 TRP 14 HD TRP 14 -6.239 -0.886 5.592 110 HE1 TRP 14 1HE TRP 14 -8.482 -1.184 4.371 111 HE3 TRP 14 3HE TRP 14 -4.643 -0.849 0.711 112 HZ2 TRP 14 2HZ TRP 14 -9.461 -1.393 1.701 113 HZ3 TRP 14 3HZ TRP 14 -6.241 -1.112 -1.099 114 HH2 TRP 14 HH TRP 14 -8.624 -1.389 -0.623 115 H GLU 15 H GLU 15 -2.645 0.729 5.984 116 HA GLU 15 HA GLU 15 -4.805 1.994 7.255 117 1HB GLU 15 2HB GLU 15 -1.884 1.787 8.029 118 2HB GLU 15 1HB GLU 15 -3.167 2.332 9.112 119 1HG GLU 15 2HG GLU 15 -4.300 0.204 8.979 120 2HG GLU 15 1HG GLU 15 -3.252 -0.350 7.675 121 H ILE 16 H ILE 16 -1.870 3.271 5.774 122 HA ILE 16 HA ILE 16 -2.302 6.030 6.502 123 HB ILE 16 HB ILE 16 -0.660 4.718 4.280 124 1HG1 ILE 16 2HG1 ILE 16 0.284 5.947 6.866 125 2HG1 ILE 16 1HG1 ILE 16 -0.030 4.242 6.703 126 1HG2 ILE 16 1HG2 ILE 16 -0.395 6.789 3.438 127 2HG2 ILE 16 2HG2 ILE 16 0.473 7.197 4.911 128 3HG2 ILE 16 3HG2 ILE 16 -1.255 7.526 4.789 129 1HD1 ILE 16 1HD1 ILE 16 2.395 5.451 6.180 130 2HD1 ILE 16 2HD1 ILE 16 1.686 5.338 4.561 131 3HD1 ILE 16 3HD1 ILE 16 1.896 3.884 5.546 132 H PHE 17 H PHE 17 -3.124 3.888 3.862 133 HA PHE 17 HA PHE 17 -4.224 5.717 1.991 134 1HB PHE 17 2HB PHE 17 -3.604 3.091 1.970 135 2HB PHE 17 1HB PHE 17 -5.323 2.957 2.251 136 HD1 PHE 17 1HD PHE 17 -6.908 3.472 0.533 137 HD2 PHE 17 2HD PHE 17 -2.720 4.177 -0.089 138 HE1 PHE 17 1HE PHE 17 -7.314 3.702 -1.895 139 HE2 PHE 17 2HE PHE 17 -3.112 4.414 -2.516 140 HZ PHE 17 HZ PHE 17 -5.409 4.170 -3.414 141 H ASN 18 H ASN 18 -5.527 3.912 4.714 142 HA ASN 18 HA ASN 18 -8.264 4.786 4.249 143 1HB ASN 18 2HB ASN 18 -6.973 2.970 6.287 144 2HB ASN 18 1HB ASN 18 -8.679 3.400 6.338 145 1HD2 ASN 18 1HD2 ASN 18 -6.444 2.430 3.653 146 2HD2 ASN 18 2HD2 ASN 18 -7.474 1.219 3.059 147 H LEU 19 H LEU 19 -5.716 6.420 5.581 148 HA LEU 19 HA LEU 19 -6.866 7.216 8.053 149 1HB LEU 19 2HB LEU 19 -4.554 8.074 6.453 150 2HB LEU 19 1HB LEU 19 -5.234 9.310 7.508 151 HG LEU 19 HG LEU 19 -4.409 6.520 8.400 152 1HD1 LEU 19 1HD1 LEU 19 -2.671 7.892 9.643 153 2HD1 LEU 19 2HD1 LEU 19 -3.138 9.223 8.599 154 3HD1 LEU 19 3HD1 LEU 19 -2.457 7.763 7.900 155 1HD2 LEU 19 1HD2 LEU 19 -5.456 6.970 10.341 156 2HD2 LEU 19 2HD2 LEU 19 -6.127 8.424 9.617 157 3HD2 LEU 19 3HD2 LEU 19 -4.601 8.507 10.486 158 HA PRO 20 HA PRO 20 -9.912 9.882 6.257 159 1HB PRO 20 2HB PRO 20 -10.577 10.912 8.876 160 2HB PRO 20 1HB PRO 20 -11.444 9.709 7.910 161 1HG PRO 20 2HG PRO 20 -10.169 9.178 10.254 162 2HG PRO 20 1HG PRO 20 -10.455 7.976 8.984 163 1HD PRO 20 2HD PRO 20 -7.962 9.530 9.574 164 2HD PRO 20 1HD PRO 20 -8.143 7.823 9.147 165 H ASN 21 H ASN 21 -6.982 11.183 7.064 166 HA ASN 21 HA ASN 21 -8.080 13.902 6.581 167 1HB ASN 21 2HB ASN 21 -6.244 13.299 8.889 168 2HB ASN 21 1HB ASN 21 -6.731 14.901 8.369 169 1HD2 ASN 21 1HD2 ASN 21 -7.793 12.026 10.080 170 2HD2 ASN 21 2HD2 ASN 21 -9.294 12.651 10.567 171 H LEU 22 H LEU 22 -5.742 11.640 5.816 172 HA LEU 22 HA LEU 22 -3.625 13.517 5.165 173 1HB LEU 22 2HB LEU 22 -3.984 10.630 4.344 174 2HB LEU 22 1HB LEU 22 -2.513 11.588 4.150 175 HG LEU 22 HG LEU 22 -3.854 10.984 6.798 176 1HD1 LEU 22 1HD1 LEU 22 -1.703 9.654 7.119 177 2HD1 LEU 22 2HD1 LEU 22 -1.489 9.776 5.375 178 3HD1 LEU 22 3HD1 LEU 22 -2.903 8.962 6.034 179 1HD2 LEU 22 1HD2 LEU 22 -2.668 12.913 7.269 180 2HD2 LEU 22 2HD2 LEU 22 -1.520 12.644 5.948 181 3HD2 LEU 22 3HD2 LEU 22 -1.372 11.729 7.444 182 H ASN 23 H ASN 23 -2.928 14.104 3.072 183 HA ASN 23 HA ASN 23 -5.123 14.094 1.106 184 1HB ASN 23 2HB ASN 23 -4.064 15.955 0.048 185 2HB ASN 23 1HB ASN 23 -4.064 16.282 1.774 186 1HD2 ASN 23 1HD2 ASN 23 -2.206 17.360 -0.297 187 2HD2 ASN 23 2HD2 ASN 23 -0.650 16.900 0.201 188 H GLY 24 H GLY 24 -4.477 13.826 -1.193 189 1HA GLY 24 2HA GLY 24 -3.514 11.318 -1.724 190 2HA GLY 24 1HA GLY 24 -3.502 12.624 -2.900 191 H VAL 25 H VAL 25 -1.613 14.289 -1.415 192 HA VAL 25 HA VAL 25 0.809 13.134 -2.427 193 HB VAL 25 HB VAL 25 0.320 15.648 -0.833 194 1HG1 VAL 25 1HG1 VAL 25 2.791 14.449 -2.087 195 2HG1 VAL 25 2HG1 VAL 25 2.611 15.162 -0.483 196 3HG1 VAL 25 3HG1 VAL 25 2.630 16.198 -1.909 197 1HG2 VAL 25 1HG2 VAL 25 -0.730 15.833 -2.963 198 2HG2 VAL 25 2HG2 VAL 25 0.570 14.947 -3.764 199 3HG2 VAL 25 3HG2 VAL 25 0.846 16.593 -3.187 200 H GLN 26 H GLN 26 -0.300 13.888 0.929 201 HA GLN 26 HA GLN 26 2.048 12.953 2.147 202 1HB GLN 26 2HB GLN 26 -0.707 13.526 3.065 203 2HB GLN 26 1HB GLN 26 0.291 12.513 4.098 204 1HG GLN 26 2HG GLN 26 1.769 14.196 4.594 205 2HG GLN 26 1HG GLN 26 1.629 14.927 2.990 206 1HE2 GLN 26 1HE2 GLN 26 -0.303 14.421 5.943 207 2HE2 GLN 26 2HE2 GLN 26 -1.108 15.910 5.859 208 H VAL 27 H VAL 27 -0.974 11.278 1.349 209 HA VAL 27 HA VAL 27 -0.250 8.776 2.479 210 HB VAL 27 HB VAL 27 -2.069 9.329 0.110 211 1HG1 VAL 27 1HG1 VAL 27 -1.403 6.971 0.244 212 2HG1 VAL 27 2HG1 VAL 27 -3.078 7.142 0.762 213 3HG1 VAL 27 3HG1 VAL 27 -1.802 6.937 1.961 214 1HG2 VAL 27 1HG2 VAL 27 -3.876 9.198 1.816 215 2HG2 VAL 27 2HG2 VAL 27 -2.778 10.536 2.141 216 3HG2 VAL 27 3HG2 VAL 27 -2.657 9.051 3.082 217 H LYS 28 H LYS 28 0.149 10.183 -0.729 218 HA LYS 28 HA LYS 28 1.392 7.992 -2.009 219 1HB LYS 28 2HB LYS 28 0.423 9.954 -3.189 220 2HB LYS 28 1HB LYS 28 1.700 10.978 -2.543 221 1HG LYS 28 2HG LYS 28 3.367 9.480 -3.717 222 2HG LYS 28 1HG LYS 28 1.999 8.650 -4.471 223 1HD LYS 28 2HD LYS 28 1.223 10.841 -5.388 224 2HD LYS 28 1HD LYS 28 2.661 11.605 -4.716 225 1HE LYS 28 2HE LYS 28 4.110 10.309 -6.135 226 2HE LYS 28 1HE LYS 28 2.773 9.288 -6.665 227 1HZ LYS 28 1HZ LYS 28 1.750 11.475 -7.464 228 2HZ LYS 28 2HZ LYS 28 3.019 10.807 -8.375 229 3HZ LYS 28 3HZ LYS 28 3.316 12.111 -7.326 230 H ALA 29 H ALA 29 2.615 10.600 -0.012 231 HA ALA 29 HA ALA 29 5.378 10.132 -0.458 232 1HB ALA 29 1HB ALA 29 4.349 12.261 0.413 233 2HB ALA 29 2HB ALA 29 5.751 11.673 1.303 234 3HB ALA 29 3HB ALA 29 4.129 11.418 1.946 235 H PHE 30 H PHE 30 3.082 9.203 2.053 236 HA PHE 30 HA PHE 30 4.932 7.891 3.678 237 1HB PHE 30 2HB PHE 30 1.959 7.473 3.371 238 2HB PHE 30 1HB PHE 30 2.953 6.791 4.655 239 HD1 PHE 30 1HD PHE 30 0.584 9.150 4.369 240 HD2 PHE 30 2HD PHE 30 4.776 8.965 5.404 241 HE1 PHE 30 1HE PHE 30 0.370 11.216 5.686 242 HE2 PHE 30 2HE PHE 30 4.528 11.050 6.691 243 HZ PHE 30 HZ PHE 30 2.332 12.160 6.830 244 H ILE 31 H ILE 31 2.984 6.979 0.898 245 HA ILE 31 HA ILE 31 3.653 4.224 0.948 246 HB ILE 31 HB ILE 31 2.590 6.068 -1.172 247 1HG1 ILE 31 2HG1 ILE 31 1.512 3.507 0.060 248 2HG1 ILE 31 1HG1 ILE 31 1.110 5.124 0.623 249 1HG2 ILE 31 1HG2 ILE 31 3.834 4.737 -2.634 250 2HG2 ILE 31 2HG2 ILE 31 2.379 3.756 -2.491 251 3HG2 ILE 31 3HG2 ILE 31 3.812 3.339 -1.562 252 1HD1 ILE 31 1HD1 ILE 31 -0.620 4.217 -0.901 253 2HD1 ILE 31 2HD1 ILE 31 0.594 4.077 -2.172 254 3HD1 ILE 31 3HD1 ILE 31 0.137 5.667 -1.560 255 H ASP 32 H ASP 32 4.968 7.023 -0.742 256 HA ASP 32 HA ASP 32 6.981 5.638 -2.106 257 1HB ASP 32 2HB ASP 32 6.208 8.036 -2.495 258 2HB ASP 32 1HB ASP 32 7.207 8.490 -1.118 259 H SER 33 H SER 33 6.918 7.023 1.089 260 HA SER 33 HA SER 33 9.662 6.609 1.746 261 1HB SER 33 2HB SER 33 7.216 6.843 3.524 262 2HB SER 33 1HB SER 33 8.894 6.921 4.072 263 HG SER 33 HG SER 33 7.718 8.628 2.130 264 H LEU 34 H LEU 34 6.712 4.775 2.065 265 HA LEU 34 HA LEU 34 7.560 2.473 3.517 266 1HB LEU 34 2HB LEU 34 5.351 3.354 1.772 267 2HB LEU 34 1HB LEU 34 5.664 1.649 1.723 268 HG LEU 34 HG LEU 34 5.675 2.645 4.431 269 1HD1 LEU 34 1HD1 LEU 34 3.970 4.155 4.094 270 2HD1 LEU 34 2HD1 LEU 34 3.004 2.690 4.219 271 3HD1 LEU 34 3HD1 LEU 34 3.411 3.341 2.638 272 1HD2 LEU 34 1HD2 LEU 34 5.505 0.369 4.153 273 2HD2 LEU 34 2HD2 LEU 34 4.398 0.496 2.803 274 3HD2 LEU 34 3HD2 LEU 34 3.831 0.805 4.445 275 H ARG 35 H ARG 35 7.280 3.133 0.081 276 HA ARG 35 HA ARG 35 8.361 0.757 -0.960 277 1HB ARG 35 2HB ARG 35 8.393 3.572 -2.061 278 2HB ARG 35 1HB ARG 35 8.752 2.122 -2.998 279 1HG ARG 35 2HG ARG 35 6.520 1.257 -2.581 280 2HG ARG 35 1HG ARG 35 6.169 2.604 -1.536 281 1HD ARG 35 2HD ARG 35 5.159 3.075 -3.662 282 2HD ARG 35 1HD ARG 35 6.527 4.160 -3.440 283 HE ARG 35 HE ARG 35 7.428 3.213 -5.312 284 1HH1 ARG 35 1HH2 ARG 35 5.295 0.952 -3.809 285 2HH1 ARG 35 2HH2 ARG 35 5.563 -0.287 -4.997 286 1HH2 ARG 35 1HH1 ARG 35 7.775 1.617 -6.855 287 2HH2 ARG 35 2HH1 ARG 35 6.967 0.092 -6.714 288 H ASP 36 H ASP 36 9.875 3.852 -0.158 289 HA ASP 36 HA ASP 36 12.508 3.199 -0.973 290 1HB ASP 36 2HB ASP 36 11.639 5.507 -0.650 291 2HB ASP 36 1HB ASP 36 11.652 5.203 1.076 292 H ASP 37 H ASP 37 10.772 2.972 2.060 293 HA ASP 37 HA ASP 37 12.748 1.085 3.075 294 1HB ASP 37 2HB ASP 37 13.355 3.448 3.860 295 2HB ASP 37 1HB ASP 37 11.879 3.393 4.818 296 HA PRO 38 HA PRO 38 8.587 -0.392 3.904 297 1HB PRO 38 2HB PRO 38 9.685 -3.031 4.026 298 2HB PRO 38 1HB PRO 38 8.648 -2.325 2.799 299 1HG PRO 38 2HG PRO 38 11.302 -3.038 2.484 300 2HG PRO 38 1HG PRO 38 10.360 -2.003 1.402 301 1HD PRO 38 2HD PRO 38 12.415 -1.250 3.393 302 2HD PRO 38 1HD PRO 38 11.863 -0.382 1.941 303 H SER 39 H SER 39 11.547 -1.200 5.610 304 HA SER 39 HA SER 39 10.374 -2.392 7.898 305 1HB SER 39 2HB SER 39 12.829 -2.459 7.326 306 2HB SER 39 1HB SER 39 12.935 -0.765 7.796 307 HG SER 39 HG SER 39 12.048 -1.456 9.856 308 H GLN 40 H GLN 40 10.852 0.845 6.795 309 HA GLN 40 HA GLN 40 10.191 2.168 9.269 310 1HB GLN 40 2HB GLN 40 11.747 3.025 7.425 311 2HB GLN 40 1HB GLN 40 10.289 3.357 6.496 312 1HG GLN 40 2HG GLN 40 9.501 4.912 8.156 313 2HG GLN 40 1HG GLN 40 10.795 4.469 9.269 314 1HE2 GLN 40 1HE2 GLN 40 12.735 5.647 9.083 315 2HE2 GLN 40 2HE2 GLN 40 13.078 6.721 7.814 316 H SER 41 H SER 41 8.377 0.530 7.019 317 HA SER 41 HA SER 41 6.243 2.027 6.244 318 1HB SER 41 2HB SER 41 6.522 -0.301 5.627 319 2HB SER 41 1HB SER 41 6.312 -0.815 7.292 320 HG SER 41 HG SER 41 4.331 -1.039 6.553 321 H ALA 42 H ALA 42 6.599 0.497 9.448 322 HA ALA 42 HA ALA 42 4.023 1.186 10.419 323 1HB ALA 42 1HB ALA 42 5.362 -0.534 11.493 324 2HB ALA 42 2HB ALA 42 5.054 0.766 12.643 325 3HB ALA 42 3HB ALA 42 6.624 0.643 11.850 326 H ASN 43 H ASN 43 7.131 2.754 10.338 327 HA ASN 43 HA ASN 43 6.597 4.881 12.108 328 1HB ASN 43 2HB ASN 43 8.828 4.043 11.422 329 2HB ASN 43 1HB ASN 43 8.541 4.720 9.829 330 1HD2 ASN 43 1HD2 ASN 43 9.476 6.731 9.573 331 2HD2 ASN 43 2HD2 ASN 43 9.702 7.873 10.808 332 H LEU 44 H LEU 44 6.236 4.372 8.711 333 HA LEU 44 HA LEU 44 5.665 7.065 7.947 334 1HB LEU 44 2HB LEU 44 5.128 4.415 6.562 335 2HB LEU 44 1HB LEU 44 5.161 6.016 5.791 336 HG LEU 44 HG LEU 44 7.461 4.981 7.427 337 1HD1 LEU 44 1HD1 LEU 44 7.643 3.436 5.815 338 2HD1 LEU 44 2HD1 LEU 44 8.474 4.766 5.012 339 3HD1 LEU 44 3HD1 LEU 44 6.791 4.411 4.619 340 1HD2 LEU 44 1HD2 LEU 44 7.033 7.240 5.543 341 2HD2 LEU 44 2HD2 LEU 44 8.636 6.715 6.060 342 3HD2 LEU 44 3HD2 LEU 44 7.465 7.291 7.249 343 H LEU 45 H LEU 45 3.964 4.242 8.792 344 HA LEU 45 HA LEU 45 1.308 5.210 8.403 345 1HB LEU 45 2HB LEU 45 1.504 2.878 8.570 346 2HB LEU 45 1HB LEU 45 2.556 2.963 9.978 347 HG LEU 45 HG LEU 45 0.650 3.800 11.329 348 1HD1 LEU 45 1HD1 LEU 45 -0.727 4.937 9.780 349 2HD1 LEU 45 2HD1 LEU 45 -1.656 3.502 10.205 350 3HD1 LEU 45 3HD1 LEU 45 -0.777 3.561 8.680 351 1HD2 LEU 45 1HD2 LEU 45 1.103 1.401 11.241 352 2HD2 LEU 45 2HD2 LEU 45 0.112 1.241 9.790 353 3HD2 LEU 45 3HD2 LEU 45 -0.637 1.677 11.328 354 H ALA 46 H ALA 46 3.697 5.254 10.911 355 HA ALA 46 HA ALA 46 2.173 6.349 13.011 356 1HB ALA 46 1HB ALA 46 4.641 5.338 12.917 357 2HB ALA 46 2HB ALA 46 4.188 6.514 14.148 358 3HB ALA 46 3HB ALA 46 5.059 7.037 12.703 359 H GLU 47 H GLU 47 4.247 7.681 10.553 360 HA GLU 47 HA GLU 47 4.068 10.401 11.207 361 1HB GLU 47 2HB GLU 47 4.717 8.788 8.775 362 2HB GLU 47 1HB GLU 47 4.603 10.542 8.654 363 1HG GLU 47 2HG GLU 47 6.480 8.927 10.382 364 2HG GLU 47 1HG GLU 47 6.896 9.927 8.995 365 H ALA 48 H ALA 48 2.213 8.241 9.196 366 HA ALA 48 HA ALA 48 0.580 10.180 7.976 367 1HB ALA 48 1HB ALA 48 -0.209 8.373 6.885 368 2HB ALA 48 2HB ALA 48 -0.552 7.515 8.385 369 3HB ALA 48 3HB ALA 48 1.068 7.501 7.717 370 H LYS 49 H LYS 49 0.167 8.044 10.769 371 HA LYS 49 HA LYS 49 -2.424 8.901 11.490 372 1HB LYS 49 2HB LYS 49 -0.151 7.794 13.167 373 2HB LYS 49 1HB LYS 49 -1.779 8.066 13.784 374 1HG LYS 49 2HG LYS 49 -1.349 6.409 11.300 375 2HG LYS 49 1HG LYS 49 -1.160 5.687 12.896 376 1HD LYS 49 2HD LYS 49 -3.444 6.273 13.488 377 2HD LYS 49 1HD LYS 49 -3.643 7.182 11.992 378 1HE LYS 49 2HE LYS 49 -4.688 4.953 11.812 379 2HE LYS 49 1HE LYS 49 -3.342 5.109 10.684 380 1HZ LYS 49 1HZ LYS 49 -1.936 3.903 12.178 381 2HZ LYS 49 2HZ LYS 49 -3.350 2.994 11.932 382 3HZ LYS 49 3HZ LYS 49 -3.137 3.868 13.374 383 H LYS 50 H LYS 50 0.793 10.202 11.945 384 HA LYS 50 HA LYS 50 0.033 12.162 13.864 385 1HB LYS 50 2HB LYS 50 2.345 11.224 13.618 386 2HB LYS 50 1HB LYS 50 2.473 12.090 12.092 387 1HG LYS 50 2HG LYS 50 2.154 14.233 13.245 388 2HG LYS 50 1HG LYS 50 1.940 13.390 14.781 389 1HD LYS 50 2HD LYS 50 4.213 14.037 14.816 390 2HD LYS 50 1HD LYS 50 4.261 12.347 14.313 391 1HE LYS 50 2HE LYS 50 4.293 13.150 11.914 392 2HE LYS 50 1HE LYS 50 4.487 14.791 12.531 393 1HZ LYS 50 1HZ LYS 50 6.644 14.053 12.158 394 2HZ LYS 50 2HZ LYS 50 6.335 12.499 12.772 395 3HZ LYS 50 3HZ LYS 50 6.438 13.828 13.826 396 H LEU 51 H LEU 51 0.553 12.073 10.409 397 HA LEU 51 HA LEU 51 0.124 14.843 9.984 398 1HB LEU 51 2HB LEU 51 0.435 12.438 8.275 399 2HB LEU 51 1HB LEU 51 -0.468 13.776 7.575 400 HG LEU 51 HG LEU 51 1.845 14.051 6.978 401 1HD1 LEU 51 1HD1 LEU 51 1.693 16.039 9.185 402 2HD1 LEU 51 2HD1 LEU 51 0.370 16.021 8.019 403 3HD1 LEU 51 3HD1 LEU 51 2.025 16.276 7.470 404 1HD2 LEU 51 1HD2 LEU 51 3.142 12.840 8.491 405 2HD2 LEU 51 2HD2 LEU 51 2.304 13.499 9.896 406 3HD2 LEU 51 3HD2 LEU 51 3.464 14.490 9.012 407 H ASN 52 H ASN 52 -1.858 11.971 9.776 408 HA ASN 52 HA ASN 52 -4.237 13.163 8.883 409 1HB ASN 52 2HB ASN 52 -3.968 10.815 8.752 410 2HB ASN 52 1HB ASN 52 -3.643 10.663 10.470 411 1HD2 ASN 52 1HD2 ASN 52 -5.499 10.809 11.930 412 2HD2 ASN 52 2HD2 ASN 52 -7.085 10.686 11.337 413 H ASP 53 H ASP 53 -2.942 12.394 12.089 414 HA ASP 53 HA ASP 53 -5.141 13.321 13.561 415 1HB ASP 53 2HB ASP 53 -3.523 11.956 14.669 416 2HB ASP 53 1HB ASP 53 -2.230 13.099 14.311 417 H ALA 54 H ALA 54 -2.219 14.909 12.416 418 HA ALA 54 HA ALA 54 -2.626 17.419 13.616 419 1HB ALA 54 1HB ALA 54 -0.462 16.976 12.760 420 2HB ALA 54 2HB ALA 54 -1.130 18.194 11.674 421 3HB ALA 54 3HB ALA 54 -1.097 16.499 11.187 422 H GLN 55 H GLN 55 -3.671 15.975 10.570 423 HA GLN 55 HA GLN 55 -5.025 18.399 9.685 424 1HB GLN 55 2HB GLN 55 -4.738 15.607 8.579 425 2HB GLN 55 1HB GLN 55 -5.754 16.835 7.810 426 1HG GLN 55 2HG GLN 55 -3.879 18.280 7.435 427 2HG GLN 55 1HG GLN 55 -2.837 17.313 8.477 428 1HE2 GLN 55 1HE2 GLN 55 -2.813 14.846 7.683 429 2HE2 GLN 55 2HE2 GLN 55 -2.567 14.653 6.016 430 H ALA 56 H ALA 56 -5.706 15.930 11.825 431 HA ALA 56 HA ALA 56 -8.566 15.753 11.278 432 1HB ALA 56 1HB ALA 56 -6.884 14.549 13.501 433 2HB ALA 56 2HB ALA 56 -7.399 13.725 12.031 434 3HB ALA 56 3HB ALA 56 -8.594 14.219 13.226 435 HA PRO 57 HA PRO 57 -9.891 19.258 13.588 436 1HB PRO 57 2HB PRO 57 -11.990 17.797 14.884 437 2HB PRO 57 1HB PRO 57 -12.099 18.865 13.481 438 1HG PRO 57 2HG PRO 57 -11.909 15.946 13.602 439 2HG PRO 57 1HG PRO 57 -12.673 16.991 12.393 440 1HD PRO 57 2HD PRO 57 -10.388 15.755 11.838 441 2HD PRO 57 1HD PRO 57 -10.663 17.432 11.313 442 H LYS 58 H LYS 58 -9.763 20.082 15.544 443 HA LYS 58 HA LYS 58 -9.166 18.412 17.887 444 1HB LYS 58 2HB LYS 58 -7.463 20.697 16.967 445 2HB LYS 58 1HB LYS 58 -7.259 19.840 18.487 446 1HG LYS 58 2HG LYS 58 -6.943 17.721 17.183 447 2HG LYS 58 1HG LYS 58 -7.006 18.672 15.700 448 1HD LYS 58 2HD LYS 58 -5.077 20.028 16.541 449 2HD LYS 58 1HD LYS 58 -4.961 18.934 17.920 450 1HE LYS 58 2HE LYS 58 -4.677 18.162 14.996 451 2HE LYS 58 1HE LYS 58 -3.374 18.245 16.181 452 1HZ LYS 58 1HZ LYS 58 -3.826 16.111 16.556 453 2HZ LYS 58 2HZ LYS 58 -5.314 16.179 15.740 454 3HZ LYS 58 3HZ LYS 58 -5.214 16.644 17.371 455 1H VAL 1 1HT VAL 1 -15.875 -4.364 7.903 456 2H VAL 1 2HT VAL 1 -16.724 -5.359 6.818 457 3H VAL 1 3HT VAL 1 -16.282 -3.783 6.363 458 HA VAL 1 HA VAL 1 -14.060 -4.304 6.128 459 HB VAL 1 HB VAL 1 -13.915 -5.440 8.348 460 1HG1 VAL 1 1HG1 VAL 1 -14.852 -7.922 6.875 461 2HG1 VAL 1 2HG1 VAL 1 -15.885 -6.970 7.942 462 3HG1 VAL 1 3HG1 VAL 1 -14.460 -7.781 8.587 463 1HG2 VAL 1 1HG2 VAL 1 -12.046 -6.802 7.792 464 2HG2 VAL 1 2HG2 VAL 1 -12.122 -5.603 6.501 465 3HG2 VAL 1 3HG2 VAL 1 -12.723 -7.239 6.224 466 H ASP 2 H ASP 2 -13.069 -5.688 4.509 467 HA ASP 2 HA ASP 2 -14.950 -6.560 2.517 468 1HB ASP 2 2HB ASP 2 -13.002 -6.958 1.139 469 2HB ASP 2 1HB ASP 2 -12.786 -5.430 1.985 470 H ASN 3 H ASN 3 -13.925 -8.736 1.337 471 HA ASN 3 HA ASN 3 -14.901 -10.894 2.856 472 1HB ASN 3 2HB ASN 3 -14.687 -10.619 0.286 473 2HB ASN 3 1HB ASN 3 -13.040 -11.201 0.505 474 1HD2 ASN 3 1HD2 ASN 3 -16.417 -12.118 1.400 475 2HD2 ASN 3 2HD2 ASN 3 -16.149 -13.788 1.262 476 H LYS 4 H LYS 4 -13.289 -13.014 2.795 477 HA LYS 4 HA LYS 4 -11.509 -12.662 4.926 478 1HB LYS 4 2HB LYS 4 -10.670 -14.943 4.375 479 2HB LYS 4 1HB LYS 4 -12.426 -14.852 4.471 480 1HG LYS 4 2HG LYS 4 -12.627 -15.567 2.347 481 2HG LYS 4 1HG LYS 4 -11.610 -14.257 1.773 482 1HD LYS 4 2HD LYS 4 -10.433 -16.749 3.015 483 2HD LYS 4 1HD LYS 4 -10.804 -16.656 1.296 484 1HE LYS 4 2HE LYS 4 -9.418 -14.334 1.607 485 2HE LYS 4 1HE LYS 4 -8.640 -15.326 2.836 486 1HZ LYS 4 1HZ LYS 4 -8.717 -17.051 0.840 487 2HZ LYS 4 2HZ LYS 4 -7.428 -15.966 1.062 488 3HZ LYS 4 3HZ LYS 4 -8.654 -15.616 -0.061 489 H PHE 5 H PHE 5 -11.137 -11.795 1.723 490 HA PHE 5 HA PHE 5 -8.355 -12.206 1.393 491 1HB PHE 5 2HB PHE 5 -10.431 -10.586 -0.063 492 2HB PHE 5 1HB PHE 5 -8.722 -10.516 -0.509 493 HD1 PHE 5 1HD PHE 5 -7.844 -12.144 -1.952 494 HD2 PHE 5 2HD PHE 5 -11.426 -12.974 0.270 495 HE1 PHE 5 1HE PHE 5 -8.040 -14.330 -3.097 496 HE2 PHE 5 2HE PHE 5 -11.632 -15.161 -0.891 497 HZ PHE 5 HZ PHE 5 -9.928 -15.838 -2.562 498 H ASN 6 H ASN 6 -9.742 -10.318 3.647 499 HA ASN 6 HA ASN 6 -8.520 -7.782 3.341 500 1HB ASN 6 2HB ASN 6 -10.200 -8.497 5.147 501 2HB ASN 6 1HB ASN 6 -8.838 -9.239 5.979 502 1HD2 ASN 6 1HD2 ASN 6 -6.799 -7.334 5.594 503 2HD2 ASN 6 2HD2 ASN 6 -7.253 -5.870 6.319 504 H LYS 7 H LYS 7 -7.397 -10.772 4.870 505 HA LYS 7 HA LYS 7 -4.784 -9.892 5.537 506 1HB LYS 7 2HB LYS 7 -5.792 -11.899 6.527 507 2HB LYS 7 1HB LYS 7 -5.848 -12.669 4.943 508 1HG LYS 7 2HG LYS 7 -3.409 -12.637 4.792 509 2HG LYS 7 1HG LYS 7 -3.300 -11.752 6.315 510 1HD LYS 7 2HD LYS 7 -2.939 -13.922 7.068 511 2HD LYS 7 1HD LYS 7 -4.688 -13.817 7.245 512 1HE LYS 7 2HE LYS 7 -3.342 -14.896 4.750 513 2HE LYS 7 1HE LYS 7 -3.842 -15.920 6.093 514 1HZ LYS 7 1HZ LYS 7 -6.065 -14.522 5.686 515 2HZ LYS 7 2HZ LYS 7 -5.746 -16.011 4.933 516 3HZ LYS 7 3HZ LYS 7 -5.454 -14.557 4.103 517 H GLU 8 H GLU 8 -6.151 -11.577 2.759 518 HA GLU 8 HA GLU 8 -3.772 -11.995 1.303 519 1HB GLU 8 2HB GLU 8 -6.634 -11.660 0.314 520 2HB GLU 8 1HB GLU 8 -5.306 -12.351 -0.619 521 1HG GLU 8 2HG GLU 8 -6.473 -13.463 1.956 522 2HG GLU 8 1HG GLU 8 -6.651 -14.156 0.341 523 H ARG 9 H ARG 9 -6.030 -9.311 1.456 524 HA ARG 9 HA ARG 9 -5.117 -7.875 -0.790 525 1HB ARG 9 2HB ARG 9 -7.312 -7.546 0.338 526 2HB ARG 9 1HB ARG 9 -6.469 -6.845 1.719 527 1HG ARG 9 2HG ARG 9 -5.520 -5.099 0.236 528 2HG ARG 9 1HG ARG 9 -6.398 -5.799 -1.118 529 1HD ARG 9 2HD ARG 9 -7.650 -3.904 -0.206 530 2HD ARG 9 1HD ARG 9 -8.532 -5.402 0.073 531 HE ARG 9 HE ARG 9 -6.790 -4.339 2.202 532 1HH1 ARG 9 1HH1 ARG 9 -9.911 -3.774 1.143 533 2HH1 ARG 9 2HH1 ARG 9 -10.700 -4.279 2.600 534 1HH2 ARG 9 1HH2 ARG 9 -7.821 -5.572 4.019 535 2HH2 ARG 9 2HH2 ARG 9 -9.518 -5.296 4.225 536 H VAL 10 H VAL 10 -4.317 -7.859 2.659 537 HA VAL 10 HA VAL 10 -2.677 -5.594 2.769 538 HB VAL 10 HB VAL 10 -2.295 -8.127 4.356 539 1HG1 VAL 10 1HG1 VAL 10 -1.465 -5.274 4.728 540 2HG1 VAL 10 2HG1 VAL 10 -0.484 -6.733 4.782 541 3HG1 VAL 10 3HG1 VAL 10 -1.602 -6.374 6.101 542 1HG2 VAL 10 1HG2 VAL 10 -4.334 -7.808 5.249 543 2HG2 VAL 10 2HG2 VAL 10 -4.580 -6.358 4.284 544 3HG2 VAL 10 3HG2 VAL 10 -3.790 -6.249 5.863 545 H ILE 11 H ILE 11 -1.931 -8.940 1.910 546 HA ILE 11 HA ILE 11 0.892 -8.572 1.710 547 HB ILE 11 HB ILE 11 -0.825 -10.664 0.347 548 1HG1 ILE 11 2HG1 ILE 11 -0.077 -10.193 3.176 549 2HG1 ILE 11 1HG1 ILE 11 -1.368 -11.183 2.508 550 1HG2 ILE 11 1HG2 ILE 11 1.540 -10.421 -0.467 551 2HG2 ILE 11 2HG2 ILE 11 1.252 -11.970 0.318 552 3HG2 ILE 11 3HG2 ILE 11 2.105 -10.689 1.182 553 1HD1 ILE 11 1HD1 ILE 11 0.493 -12.857 1.857 554 2HD1 ILE 11 2HD1 ILE 11 0.078 -12.732 3.565 555 3HD1 ILE 11 3HD1 ILE 11 1.525 -11.930 2.951 556 H ALA 12 H ALA 12 -1.806 -8.322 -0.600 557 HA ALA 12 HA ALA 12 -0.225 -7.977 -2.940 558 1HB ALA 12 1HB ALA 12 -2.571 -8.471 -3.192 559 2HB ALA 12 2HB ALA 12 -2.312 -6.832 -3.797 560 3HB ALA 12 3HB ALA 12 -3.016 -7.085 -2.202 561 H ILE 13 H ILE 13 -1.682 -5.710 -0.648 562 HA ILE 13 HA ILE 13 -0.782 -3.334 -1.859 563 HB ILE 13 HB ILE 13 -1.170 -3.959 1.101 564 1HG1 ILE 13 2HG1 ILE 13 -3.081 -2.594 -0.771 565 2HG1 ILE 13 1HG1 ILE 13 -3.100 -4.338 -0.559 566 1HG2 ILE 13 1HG2 ILE 13 -1.065 -1.340 -0.414 567 2HG2 ILE 13 2HG2 ILE 13 0.006 -1.850 0.878 568 3HG2 ILE 13 3HG2 ILE 13 -1.691 -1.502 1.227 569 1HD1 ILE 13 1HD1 ILE 13 -3.445 -2.278 1.602 570 2HD1 ILE 13 2HD1 ILE 13 -3.433 -4.014 1.868 571 3HD1 ILE 13 3HD1 ILE 13 -4.731 -3.274 0.926 572 H GLY 14 H GLY 14 0.647 -5.568 0.451 573 1HA GLY 14 2HA GLY 14 3.098 -4.244 0.896 574 2HA GLY 14 1HA GLY 14 2.822 -5.977 1.053 575 H GLU 15 H GLU 15 2.084 -6.565 -1.595 576 HA GLU 15 HA GLU 15 4.630 -6.884 -2.770 577 1HB GLU 15 2HB GLU 15 2.456 -8.283 -3.030 578 2HB GLU 15 1HB GLU 15 2.082 -7.151 -4.306 579 1HG GLU 15 2HG GLU 15 3.592 -8.095 -5.735 580 2HG GLU 15 1HG GLU 15 4.831 -8.119 -4.478 581 H ILE 16 H ILE 16 1.843 -4.745 -3.520 582 HA ILE 16 HA ILE 16 2.995 -3.594 -5.842 583 HB ILE 16 HB ILE 16 1.622 -1.687 -3.955 584 1HG1 ILE 16 2HG1 ILE 16 0.285 -3.814 -3.822 585 2HG1 ILE 16 1HG1 ILE 16 -0.587 -2.436 -4.433 586 1HG2 ILE 16 1HG2 ILE 16 1.382 -2.197 -6.927 587 2HG2 ILE 16 2HG2 ILE 16 2.342 -0.943 -6.164 588 3HG2 ILE 16 3HG2 ILE 16 0.591 -0.905 -6.039 589 1HD1 ILE 16 1HD1 ILE 16 -0.339 -3.179 -6.696 590 2HD1 ILE 16 2HD1 ILE 16 -0.979 -4.523 -5.745 591 3HD1 ILE 16 3HD1 ILE 16 0.728 -4.497 -6.198 592 H MET 17 H MET 17 3.140 -2.535 -2.493 593 HA MET 17 HA MET 17 4.878 -0.346 -2.746 594 1HB MET 17 2HB MET 17 4.489 -2.176 -0.396 595 2HB MET 17 1HB MET 17 5.091 -0.511 -0.368 596 1HG MET 17 2HG MET 17 2.376 -1.243 -1.480 597 2HG MET 17 1HG MET 17 2.617 -0.763 0.191 598 1HE MET 17 1HE MET 17 4.822 2.078 -0.294 599 2HE MET 17 2HE MET 17 4.091 0.848 0.758 600 3HE MET 17 3HE MET 17 3.306 2.422 0.553 601 H ARG 18 H ARG 18 5.526 -3.798 -2.365 602 HA ARG 18 HA ARG 18 8.329 -3.563 -1.910 603 1HB ARG 18 2HB ARG 18 6.486 -5.754 -2.586 604 2HB ARG 18 1HB ARG 18 8.218 -6.012 -2.753 605 1HG ARG 18 2HG ARG 18 8.157 -4.783 -0.332 606 2HG ARG 18 1HG ARG 18 6.597 -5.591 -0.301 607 1HD ARG 18 2HD ARG 18 9.209 -6.905 -0.951 608 2HD ARG 18 1HD ARG 18 8.411 -6.983 0.616 609 HE ARG 18 HE ARG 18 6.516 -8.095 -0.593 610 1HH1 ARG 18 1HH2 ARG 18 9.471 -9.418 -0.675 611 2HH1 ARG 18 2HH2 ARG 18 9.321 -10.245 -2.188 612 1HH2 ARG 18 1HH1 ARG 18 6.410 -8.601 -3.097 613 2HH2 ARG 18 2HH1 ARG 18 7.587 -9.783 -3.560 614 H LEU 19 H LEU 19 6.333 -3.871 -4.816 615 HA LEU 19 HA LEU 19 8.317 -4.522 -6.679 616 1HB LEU 19 2HB LEU 19 5.845 -2.830 -6.991 617 2HB LEU 19 1HB LEU 19 6.855 -3.297 -8.331 618 HG LEU 19 HG LEU 19 5.545 -5.268 -6.452 619 1HD1 LEU 19 1HD1 LEU 19 4.687 -4.391 -9.220 620 2HD1 LEU 19 2HD1 LEU 19 3.862 -3.974 -7.717 621 3HD1 LEU 19 3HD1 LEU 19 3.921 -5.647 -8.245 622 1HD2 LEU 19 1HD2 LEU 19 6.594 -6.859 -7.615 623 2HD2 LEU 19 2HD2 LEU 19 7.615 -5.576 -8.252 624 3HD2 LEU 19 3HD2 LEU 19 6.200 -6.102 -9.153 625 HA PRO 20 HA PRO 20 10.640 -0.728 -6.175 626 1HB PRO 20 2HB PRO 20 12.699 -1.854 -7.845 627 2HB PRO 20 1HB PRO 20 12.706 -1.611 -6.097 628 1HG PRO 20 2HG PRO 20 12.676 -4.040 -7.357 629 2HG PRO 20 1HG PRO 20 12.150 -3.749 -5.691 630 1HD PRO 20 2HD PRO 20 10.506 -4.099 -8.154 631 2HD PRO 20 1HD PRO 20 10.176 -4.603 -6.481 632 H ASN 21 H ASN 21 9.365 -1.998 -9.114 633 HA ASN 21 HA ASN 21 10.459 0.234 -10.690 634 1HB ASN 21 2HB ASN 21 8.840 -2.130 -11.617 635 2HB ASN 21 1HB ASN 21 9.627 -0.941 -12.637 636 1HD2 ASN 21 1HD2 ASN 21 10.105 -3.954 -12.269 637 2HD2 ASN 21 2HD2 ASN 21 11.771 -4.068 -11.967 638 H LEU 22 H LEU 22 7.538 -0.664 -9.041 639 HA LEU 22 HA LEU 22 5.748 0.844 -10.702 640 1HB LEU 22 2HB LEU 22 5.423 -0.001 -7.823 641 2HB LEU 22 1HB LEU 22 4.159 0.715 -8.798 642 HG LEU 22 HG LEU 22 5.466 -1.984 -9.090 643 1HD1 LEU 22 1HD1 LEU 22 3.542 -1.995 -7.654 644 2HD1 LEU 22 2HD1 LEU 22 2.999 -2.638 -9.208 645 3HD1 LEU 22 3HD1 LEU 22 2.631 -0.972 -8.763 646 1HD2 LEU 22 1HD2 LEU 22 3.945 -0.349 -11.086 647 2HD2 LEU 22 2HD2 LEU 22 3.941 -2.104 -11.149 648 3HD2 LEU 22 3HD2 LEU 22 5.463 -1.231 -11.309 649 H ASN 23 H ASN 23 4.622 2.738 -10.092 650 HA ASN 23 HA ASN 23 6.355 4.778 -8.870 651 1HB ASN 23 2HB ASN 23 5.592 5.756 -10.792 652 2HB ASN 23 1HB ASN 23 4.272 4.639 -10.961 653 1HD2 ASN 23 1HD2 ASN 23 2.645 6.142 -11.443 654 2HD2 ASN 23 2HD2 ASN 23 2.150 7.353 -10.367 655 H SER 24 H SER 24 5.456 6.168 -7.172 656 HA SER 24 HA SER 24 4.057 4.742 -5.171 657 1HB SER 24 2HB SER 24 3.816 7.016 -4.084 658 2HB SER 24 1HB SER 24 5.464 6.556 -4.496 659 HG SER 24 HG SER 24 5.487 8.336 -5.597 660 H LEU 25 H LEU 25 3.017 7.098 -7.570 661 HA LEU 25 HA LEU 25 0.282 7.163 -6.778 662 1HB LEU 25 2HB LEU 25 1.914 8.448 -8.763 663 2HB LEU 25 1HB LEU 25 0.470 7.821 -9.507 664 HG LEU 25 HG LEU 25 0.572 9.595 -7.104 665 1HD1 LEU 25 1HD1 LEU 25 -0.550 10.179 -9.850 666 2HD1 LEU 25 2HD1 LEU 25 1.080 10.643 -9.363 667 3HD1 LEU 25 3HD1 LEU 25 -0.315 11.320 -8.526 668 1HD2 LEU 25 1HD2 LEU 25 -1.396 8.570 -6.675 669 2HD2 LEU 25 2HD2 LEU 25 -1.492 7.898 -8.303 670 3HD2 LEU 25 3HD2 LEU 25 -2.016 9.555 -8.001 671 H GLN 26 H GLN 26 2.212 5.259 -9.057 672 HA GLN 26 HA GLN 26 0.051 3.935 -10.352 673 1HB GLN 26 2HB GLN 26 2.951 3.463 -10.038 674 2HB GLN 26 1HB GLN 26 1.988 2.034 -10.359 675 1HG GLN 26 2HG GLN 26 1.079 3.064 -12.390 676 2HG GLN 26 1HG GLN 26 1.985 4.544 -12.066 677 1HE2 GLN 26 1HE2 GLN 26 3.851 1.929 -11.029 678 2HE2 GLN 26 2HE2 GLN 26 4.799 1.743 -12.422 679 H VAL 27 H VAL 27 1.885 3.390 -7.456 680 HA VAL 27 HA VAL 27 0.864 0.853 -6.805 681 HB VAL 27 HB VAL 27 2.196 2.987 -5.151 682 1HG1 VAL 27 1HG1 VAL 27 1.385 1.889 -3.338 683 2HG1 VAL 27 2HG1 VAL 27 2.496 0.597 -3.785 684 3HG1 VAL 27 3HG1 VAL 27 0.813 0.530 -4.300 685 1HG2 VAL 27 1HG2 VAL 27 3.083 1.076 -7.044 686 2HG2 VAL 27 2HG2 VAL 27 3.564 0.462 -5.463 687 3HG2 VAL 27 3HG2 VAL 27 4.082 2.065 -5.976 688 H VAL 28 H VAL 28 -0.076 4.129 -5.971 689 HA VAL 28 HA VAL 28 -2.200 3.472 -4.250 690 HB VAL 28 HB VAL 28 -1.913 5.852 -6.112 691 1HG1 VAL 28 1HG1 VAL 28 -3.877 6.587 -5.282 692 2HG1 VAL 28 2HG1 VAL 28 -3.372 6.250 -3.626 693 3HG1 VAL 28 3HG1 VAL 28 -4.100 4.977 -4.602 694 1HG2 VAL 28 1HG2 VAL 28 -1.448 6.337 -3.273 695 2HG2 VAL 28 2HG2 VAL 28 -0.407 6.707 -4.648 696 3HG2 VAL 28 3HG2 VAL 28 -0.333 5.118 -3.890 697 H ALA 29 H ALA 29 -1.831 3.591 -7.736 698 HA ALA 29 HA ALA 29 -4.512 3.481 -8.549 699 1HB ALA 29 1HB ALA 29 -3.609 3.233 -10.630 700 2HB ALA 29 2HB ALA 29 -2.587 1.879 -10.133 701 3HB ALA 29 3HB ALA 29 -2.072 3.538 -9.817 702 H PHE 30 H PHE 30 -2.158 0.931 -7.749 703 HA PHE 30 HA PHE 30 -3.997 -1.179 -8.178 704 1HB PHE 30 2HB PHE 30 -1.261 -1.025 -6.870 705 2HB PHE 30 1HB PHE 30 -2.142 -2.527 -7.174 706 HD1 PHE 30 1HD PHE 30 -3.221 -2.519 -9.796 707 HD2 PHE 30 2HD PHE 30 0.397 -0.524 -8.488 708 HE1 PHE 30 1HE PHE 30 -2.407 -2.402 -12.104 709 HE2 PHE 30 2HE PHE 30 1.161 -0.440 -10.811 710 HZ PHE 30 HZ PHE 30 -0.231 -1.385 -12.623 711 H ILE 31 H ILE 31 -2.726 0.501 -5.281 712 HA ILE 31 HA ILE 31 -3.974 -1.087 -3.326 713 HB ILE 31 HB ILE 31 -3.359 1.881 -3.258 714 1HG1 ILE 31 2HG1 ILE 31 -1.786 -0.400 -2.033 715 2HG1 ILE 31 1HG1 ILE 31 -1.424 0.230 -3.631 716 1HG2 ILE 31 1HG2 ILE 31 -4.948 1.356 -1.506 717 2HG2 ILE 31 2HG2 ILE 31 -3.356 1.487 -0.759 718 3HG2 ILE 31 3HG2 ILE 31 -4.054 -0.099 -1.073 719 1HD1 ILE 31 1HD1 ILE 31 -0.017 1.323 -1.897 720 2HD1 ILE 31 2HD1 ILE 31 -1.483 1.871 -1.075 721 3HD1 ILE 31 3HD1 ILE 31 -1.094 2.478 -2.689 722 H ASN 32 H ASN 32 -5.080 1.869 -4.935 723 HA ASN 32 HA ASN 32 -7.582 2.091 -3.694 724 1HB ASN 32 2HB ASN 32 -6.427 3.834 -5.098 725 2HB ASN 32 1HB ASN 32 -6.878 2.909 -6.521 726 1HD2 ASN 32 1HD2 ASN 32 -8.220 4.668 -7.258 727 2HD2 ASN 32 2HD2 ASN 32 -9.723 4.997 -6.541 728 H SER 33 H SER 33 -6.474 0.072 -6.387 729 HA SER 33 HA SER 33 -9.097 -0.603 -7.244 730 1HB SER 33 2HB SER 33 -6.359 -1.458 -7.940 731 2HB SER 33 1HB SER 33 -7.718 -2.472 -8.428 732 HG SER 33 HG SER 33 -7.671 0.321 -8.861 733 H LEU 34 H LEU 34 -6.830 -1.776 -4.860 734 HA LEU 34 HA LEU 34 -8.040 -4.333 -4.421 735 1HB LEU 34 2HB LEU 34 -6.834 -2.667 -2.211 736 2HB LEU 34 1HB LEU 34 -6.866 -4.410 -2.369 737 HG LEU 34 HG LEU 34 -5.226 -2.482 -4.002 738 1HD1 LEU 34 1HD1 LEU 34 -4.059 -4.780 -2.535 739 2HD1 LEU 34 2HD1 LEU 34 -4.642 -3.407 -1.593 740 3HD1 LEU 34 3HD1 LEU 34 -3.406 -3.161 -2.834 741 1HD2 LEU 34 1HD2 LEU 34 -4.262 -4.674 -4.911 742 2HD2 LEU 34 2HD2 LEU 34 -5.829 -4.151 -5.510 743 3HD2 LEU 34 3HD2 LEU 34 -5.731 -5.400 -4.298 744 H ARG 35 H ARG 35 -8.418 -1.082 -3.161 745 HA ARG 35 HA ARG 35 -10.536 -1.433 -1.326 746 1HB ARG 35 2HB ARG 35 -9.182 0.741 -2.671 747 2HB ARG 35 1HB ARG 35 -10.913 1.027 -2.730 748 1HG ARG 35 2HG ARG 35 -10.930 1.646 -0.575 749 2HG ARG 35 1HG ARG 35 -10.172 0.138 -0.080 750 1HD ARG 35 2HD ARG 35 -7.974 1.233 -0.960 751 2HD ARG 35 1HD ARG 35 -8.879 2.739 -0.860 752 HE ARG 35 HE ARG 35 -7.759 1.316 1.327 753 1HH1 ARG 35 1HH1 ARG 35 -10.637 0.981 1.997 754 2HH1 ARG 35 2HH1 ARG 35 -11.005 2.433 2.866 755 1HH2 ARG 35 1HH2 ARG 35 -8.197 4.123 1.748 756 2HH2 ARG 35 2HH2 ARG 35 -9.625 4.211 2.723 757 H ASP 36 H ASP 36 -10.492 -0.743 -4.778 758 HA ASP 36 HA ASP 36 -13.285 -0.631 -5.219 759 1HB ASP 36 2HB ASP 36 -10.977 -1.259 -7.083 760 2HB ASP 36 1HB ASP 36 -12.623 -0.915 -7.612 761 H ASP 37 H ASP 37 -10.930 -3.249 -5.303 762 HA ASP 37 HA ASP 37 -13.048 -5.245 -5.148 763 1HB ASP 37 2HB ASP 37 -11.481 -4.736 -7.596 764 2HB ASP 37 1HB ASP 37 -11.503 -6.413 -7.081 765 HA PRO 38 HA PRO 38 -9.483 -6.371 -2.582 766 1HB PRO 38 2HB PRO 38 -11.361 -7.699 -0.866 767 2HB PRO 38 1HB PRO 38 -10.417 -6.248 -0.540 768 1HG PRO 38 2HG PRO 38 -13.169 -6.386 -0.883 769 2HG PRO 38 1HG PRO 38 -12.181 -4.921 -0.889 770 1HD PRO 38 2HD PRO 38 -13.423 -6.343 -3.151 771 2HD PRO 38 1HD PRO 38 -12.858 -4.662 -3.043 772 H SER 39 H SER 39 -12.142 -8.174 -3.919 773 HA SER 39 HA SER 39 -11.192 -10.811 -3.402 774 1HB SER 39 2HB SER 39 -12.984 -9.851 -5.653 775 2HB SER 39 1HB SER 39 -12.822 -11.508 -5.075 776 HG SER 39 HG SER 39 -13.744 -9.270 -3.583 777 H GLN 40 H GLN 40 -10.829 -8.473 -6.003 778 HA GLN 40 HA GLN 40 -8.936 -10.216 -7.367 779 1HB GLN 40 2HB GLN 40 -9.540 -7.670 -8.664 780 2HB GLN 40 1HB GLN 40 -9.515 -9.286 -9.315 781 1HG GLN 40 2HG GLN 40 -11.732 -9.769 -8.601 782 2HG GLN 40 1HG GLN 40 -11.787 -8.356 -7.554 783 1HE2 GLN 40 1HE2 GLN 40 -10.843 -6.339 -9.233 784 2HE2 GLN 40 2HE2 GLN 40 -11.892 -6.157 -10.555 785 H SER 41 H SER 41 -8.432 -8.670 -4.810 786 HA SER 41 HA SER 41 -6.808 -6.464 -5.308 787 1HB SER 41 2HB SER 41 -7.376 -7.022 -3.022 788 2HB SER 41 1HB SER 41 -6.719 -8.650 -3.191 789 HG SER 41 HG SER 41 -5.457 -6.257 -2.662 790 H ALA 42 H ALA 42 -6.285 -9.842 -5.592 791 HA ALA 42 HA ALA 42 -3.459 -9.857 -5.992 792 1HB ALA 42 1HB ALA 42 -5.430 -11.930 -6.936 793 2HB ALA 42 2HB ALA 42 -4.994 -11.763 -5.232 794 3HB ALA 42 3HB ALA 42 -3.754 -12.163 -6.425 795 H ASN 43 H ASN 43 -6.260 -9.376 -7.996 796 HA ASN 43 HA ASN 43 -5.193 -10.022 -10.523 797 1HB ASN 43 2HB ASN 43 -7.586 -9.803 -9.773 798 2HB ASN 43 1HB ASN 43 -7.366 -8.067 -10.004 799 1HD2 ASN 43 1HD2 ASN 43 -6.413 -7.492 -12.284 800 2HD2 ASN 43 2HD2 ASN 43 -7.001 -8.393 -13.597 801 H LEU 44 H LEU 44 -5.842 -6.866 -9.020 802 HA LEU 44 HA LEU 44 -4.477 -5.551 -11.107 803 1HB LEU 44 2HB LEU 44 -4.992 -3.469 -10.036 804 2HB LEU 44 1HB LEU 44 -6.407 -4.492 -10.011 805 HG LEU 44 HG LEU 44 -5.999 -3.226 -7.946 806 1HD1 LEU 44 1HD1 LEU 44 -5.876 -5.992 -7.073 807 2HD1 LEU 44 2HD1 LEU 44 -7.082 -5.636 -8.303 808 3HD1 LEU 44 3HD1 LEU 44 -7.089 -4.740 -6.781 809 1HD2 LEU 44 1HD2 LEU 44 -3.433 -3.848 -8.119 810 2HD2 LEU 44 2HD2 LEU 44 -3.980 -5.124 -7.028 811 3HD2 LEU 44 3HD2 LEU 44 -4.225 -3.436 -6.620 812 H LEU 45 H LEU 45 -3.735 -6.949 -8.088 813 HA LEU 45 HA LEU 45 -1.194 -5.737 -7.626 814 1HB LEU 45 2HB LEU 45 -1.936 -7.000 -5.788 815 2HB LEU 45 1HB LEU 45 -2.561 -8.284 -6.808 816 HG LEU 45 HG LEU 45 -0.252 -8.967 -7.370 817 1HD1 LEU 45 1HD1 LEU 45 0.818 -6.774 -7.119 818 2HD1 LEU 45 2HD1 LEU 45 1.617 -7.974 -6.117 819 3HD1 LEU 45 3HD1 LEU 45 0.508 -6.813 -5.387 820 1HD2 LEU 45 1HD2 LEU 45 -0.507 -10.356 -5.630 821 2HD2 LEU 45 2HD2 LEU 45 -1.526 -9.187 -4.800 822 3HD2 LEU 45 3HD2 LEU 45 0.220 -9.145 -4.578 823 H ALA 46 H ALA 46 -2.570 -8.303 -9.478 824 HA ALA 46 HA ALA 46 -0.209 -9.475 -10.526 825 1HB ALA 46 1HB ALA 46 -2.394 -9.531 -12.429 826 2HB ALA 46 2HB ALA 46 -3.023 -9.847 -10.814 827 3HB ALA 46 3HB ALA 46 -1.737 -10.860 -11.477 828 H GLU 47 H GLU 47 -2.386 -6.911 -11.546 829 HA GLU 47 HA GLU 47 -1.128 -6.161 -13.945 830 1HB GLU 47 2HB GLU 47 -2.751 -4.510 -11.987 831 2HB GLU 47 1HB GLU 47 -2.287 -3.980 -13.598 832 1HG GLU 47 2HG GLU 47 -4.077 -6.292 -12.864 833 2HG GLU 47 1HG GLU 47 -4.557 -4.784 -13.616 834 H ALA 48 H ALA 48 -0.579 -5.399 -10.571 835 HA ALA 48 HA ALA 48 1.170 -3.198 -10.910 836 1HB ALA 48 1HB ALA 48 -0.159 -4.402 -8.844 837 2HB ALA 48 2HB ALA 48 1.116 -3.199 -8.650 838 3HB ALA 48 3HB ALA 48 1.504 -4.919 -8.558 839 H LYS 49 H LYS 49 1.673 -6.608 -10.177 840 HA LYS 49 HA LYS 49 4.485 -6.494 -10.102 841 1HB LYS 49 2HB LYS 49 2.481 -8.688 -10.509 842 2HB LYS 49 1HB LYS 49 4.213 -9.018 -10.529 843 1HG LYS 49 2HG LYS 49 4.359 -7.923 -8.272 844 2HG LYS 49 1HG LYS 49 2.598 -7.824 -8.266 845 1HD LYS 49 2HD LYS 49 4.127 -10.419 -8.633 846 2HD LYS 49 1HD LYS 49 3.540 -9.851 -7.075 847 1HE LYS 49 2HE LYS 49 1.307 -9.631 -8.741 848 2HE LYS 49 1HE LYS 49 2.068 -11.138 -9.248 849 1HZ LYS 49 1HZ LYS 49 1.659 -10.519 -6.390 850 2HZ LYS 49 2HZ LYS 49 1.895 -12.031 -7.130 851 3HZ LYS 49 3HZ LYS 49 0.420 -11.210 -7.320 852 H LYS 50 H LYS 50 2.127 -6.920 -12.624 853 HA LYS 50 HA LYS 50 3.940 -7.448 -14.764 854 1HB LYS 50 2HB LYS 50 1.086 -6.544 -14.635 855 2HB LYS 50 1HB LYS 50 1.956 -6.652 -16.163 856 1HG LYS 50 2HG LYS 50 2.534 -9.058 -15.531 857 2HG LYS 50 1HG LYS 50 1.367 -8.908 -14.224 858 1HD LYS 50 2HD LYS 50 0.718 -8.416 -17.147 859 2HD LYS 50 1HD LYS 50 0.417 -9.938 -16.310 860 1HE LYS 50 2HE LYS 50 -0.942 -8.570 -14.617 861 2HE LYS 50 1HE LYS 50 -0.847 -7.242 -15.774 862 1HZ LYS 50 1HZ LYS 50 -1.797 -8.757 -17.452 863 2HZ LYS 50 2HZ LYS 50 -2.849 -8.456 -16.152 864 3HZ LYS 50 3HZ LYS 50 -2.010 -9.931 -16.245 865 H LEU 51 H LEU 51 2.497 -4.552 -13.348 866 HA LEU 51 HA LEU 51 3.457 -2.766 -15.368 867 1HB LEU 51 2HB LEU 51 2.015 -2.541 -12.847 868 2HB LEU 51 1HB LEU 51 3.243 -1.290 -12.998 869 HG LEU 51 HG LEU 51 1.003 -0.691 -13.973 870 1HD1 LEU 51 1HD1 LEU 51 2.172 -0.022 -16.254 871 2HD1 LEU 51 2HD1 LEU 51 3.613 -0.650 -15.446 872 3HD1 LEU 51 3HD1 LEU 51 2.700 0.685 -14.724 873 1HD2 LEU 51 1HD2 LEU 51 0.002 -2.079 -15.454 874 2HD2 LEU 51 2HD2 LEU 51 1.301 -3.242 -15.187 875 3HD2 LEU 51 3HD2 LEU 51 1.430 -2.063 -16.492 876 H ASN 52 H ASN 52 4.590 -3.910 -12.302 877 HA ASN 52 HA ASN 52 6.942 -2.331 -12.129 878 1HB ASN 52 2HB ASN 52 6.201 -3.519 -10.182 879 2HB ASN 52 1HB ASN 52 6.222 -5.055 -11.029 880 1HD2 ASN 52 1HD2 ASN 52 8.399 -5.841 -11.731 881 2HD2 ASN 52 2HD2 ASN 52 9.762 -5.417 -10.813 882 H ASP 53 H ASP 53 6.046 -5.378 -13.555 883 HA ASP 53 HA ASP 53 8.633 -6.073 -14.573 884 1HB ASP 53 2HB ASP 53 5.852 -6.912 -15.422 885 2HB ASP 53 1HB ASP 53 7.324 -7.593 -16.101 886 H ALA 54 H ALA 54 5.923 -4.202 -15.737 887 HA ALA 54 HA ALA 54 6.722 -3.858 -18.423 888 1HB ALA 54 1HB ALA 54 4.981 -2.299 -18.556 889 2HB ALA 54 2HB ALA 54 5.146 -1.832 -16.864 890 3HB ALA 54 3HB ALA 54 4.452 -3.398 -17.282 891 H GLN 55 H GLN 55 7.351 -2.057 -15.451 892 HA GLN 55 HA GLN 55 8.934 -0.044 -16.836 893 1HB GLN 55 2HB GLN 55 8.205 -0.486 -13.982 894 2HB GLN 55 1HB GLN 55 9.200 0.851 -14.522 895 1HG GLN 55 2HG GLN 55 7.434 1.870 -15.649 896 2HG GLN 55 1HG GLN 55 6.556 0.352 -15.843 897 1HE2 GLN 55 1HE2 GLN 55 6.035 -0.682 -13.530 898 2HE2 GLN 55 2HE2 GLN 55 5.357 0.406 -12.419 899 H ALA 56 H ALA 56 9.422 -3.109 -15.526 900 HA ALA 56 HA ALA 56 12.001 -2.845 -14.363 901 1HB ALA 56 1HB ALA 56 10.484 -4.852 -14.125 902 2HB ALA 56 2HB ALA 56 12.155 -5.237 -14.522 903 3HB ALA 56 3HB ALA 56 10.919 -5.289 -15.774 904 HA PRO 57 HA PRO 57 14.590 -2.664 -17.863 905 1HB PRO 57 2HB PRO 57 16.687 -4.270 -16.708 906 2HB PRO 57 1HB PRO 57 16.549 -2.507 -16.733 907 1HG PRO 57 2HG PRO 57 16.404 -4.033 -14.473 908 2HG PRO 57 1HG PRO 57 15.697 -2.416 -14.646 909 1HD PRO 57 2HD PRO 57 14.362 -5.092 -14.905 910 2HD PRO 57 1HD PRO 57 13.781 -3.619 -14.089 911 H LYS 58 H LYS 58 15.837 -3.933 -19.448 912 HA LYS 58 HA LYS 58 15.013 -6.739 -19.689 913 1HB LYS 58 2HB LYS 58 14.589 -4.495 -21.584 914 2HB LYS 58 1HB LYS 58 14.821 -6.111 -22.211 915 1HG LYS 58 2HG LYS 58 12.547 -6.247 -21.934 916 2HG LYS 58 1HG LYS 58 12.987 -6.627 -20.270 917 1HD LYS 58 2HD LYS 58 12.921 -4.067 -19.867 918 2HD LYS 58 1HD LYS 58 12.077 -3.977 -21.410 919 1HE LYS 58 2HE LYS 58 10.314 -4.143 -19.867 920 2HE LYS 58 1HE LYS 58 10.518 -5.812 -20.401 921 1HZ LYS 58 1HZ LYS 58 12.267 -5.640 -18.362 922 2HZ LYS 58 2HZ LYS 58 10.683 -6.240 -18.227 923 3HZ LYS 58 3HZ LYS 58 11.020 -4.626 -17.819 Start of MODEL 12 1 1H VAL 1 1HT VAL 1 13.938 -13.760 2.329 2 2H VAL 1 2HT VAL 1 12.315 -14.259 2.270 3 3H VAL 1 3HT VAL 1 13.374 -14.935 3.414 4 HA VAL 1 HA VAL 1 13.468 -13.003 4.682 5 HB VAL 1 HB VAL 1 13.784 -11.505 2.702 6 1HG1 VAL 1 1HG1 VAL 1 11.827 -10.611 1.533 7 2HG1 VAL 1 2HG1 VAL 1 10.755 -11.616 2.507 8 3HG1 VAL 1 3HG1 VAL 1 11.868 -12.365 1.365 9 1HG2 VAL 1 1HG2 VAL 1 11.553 -10.493 4.491 10 2HG2 VAL 1 2HG2 VAL 1 12.826 -9.549 3.720 11 3HG2 VAL 1 3HG2 VAL 1 13.222 -10.654 5.035 12 H ASP 2 H ASP 2 11.734 -12.108 6.007 13 HA ASP 2 HA ASP 2 9.525 -13.898 6.278 14 1HB ASP 2 2HB ASP 2 8.895 -12.517 8.160 15 2HB ASP 2 1HB ASP 2 10.648 -12.690 8.169 16 H ASN 3 H ASN 3 7.244 -13.079 6.458 17 HA ASN 3 HA ASN 3 6.630 -11.305 4.172 18 1HB ASN 3 2HB ASN 3 4.881 -13.361 5.550 19 2HB ASN 3 1HB ASN 3 4.426 -12.393 4.149 20 1HD2 ASN 3 1HD2 ASN 3 5.092 -15.455 4.672 21 2HD2 ASN 3 2HD2 ASN 3 6.080 -15.835 3.345 22 H LYS 4 H LYS 4 6.816 -11.277 7.511 23 HA LYS 4 HA LYS 4 4.477 -9.886 8.270 24 1HB LYS 4 2HB LYS 4 6.020 -10.971 9.871 25 2HB LYS 4 1HB LYS 4 7.246 -9.766 9.495 26 1HG LYS 4 2HG LYS 4 4.956 -8.255 10.109 27 2HG LYS 4 1HG LYS 4 4.950 -9.567 11.283 28 1HD LYS 4 2HD LYS 4 6.286 -7.951 12.339 29 2HD LYS 4 1HD LYS 4 7.475 -9.014 11.590 30 1HE LYS 4 2HE LYS 4 8.008 -6.622 11.196 31 2HE LYS 4 1HE LYS 4 7.692 -7.473 9.687 32 1HZ LYS 4 1HZ LYS 4 5.466 -6.139 11.062 33 2HZ LYS 4 2HZ LYS 4 5.693 -6.425 9.403 34 3HZ LYS 4 3HZ LYS 4 6.565 -5.193 10.183 35 H PHE 5 H PHE 5 7.709 -8.729 7.304 36 HA PHE 5 HA PHE 5 7.148 -5.994 7.602 37 1HB PHE 5 2HB PHE 5 9.253 -5.604 6.788 38 2HB PHE 5 1HB PHE 5 9.433 -7.297 7.227 39 HD1 PHE 5 1HD PHE 5 9.319 -9.069 5.455 40 HD2 PHE 5 2HD PHE 5 9.282 -4.885 4.480 41 HE1 PHE 5 1HE PHE 5 9.887 -9.606 3.103 42 HE2 PHE 5 2HE PHE 5 9.851 -5.428 2.134 43 HZ PHE 5 HZ PHE 5 10.155 -7.790 1.446 44 H ASN 6 H ASN 6 6.788 -8.221 4.874 45 HA ASN 6 HA ASN 6 6.056 -6.283 2.932 46 1HB ASN 6 2HB ASN 6 6.792 -8.622 2.466 47 2HB ASN 6 1HB ASN 6 5.249 -9.188 3.097 48 1HD2 ASN 6 1HD2 ASN 6 4.663 -10.050 0.991 49 2HD2 ASN 6 2HD2 ASN 6 4.205 -9.020 -0.281 50 H LYS 7 H LYS 7 4.227 -8.377 5.114 51 HA LYS 7 HA LYS 7 1.634 -7.633 4.298 52 1HB LYS 7 2HB LYS 7 2.062 -9.639 5.627 53 2HB LYS 7 1HB LYS 7 2.689 -8.670 6.949 54 1HG LYS 7 2HG LYS 7 0.507 -9.155 7.638 55 2HG LYS 7 1HG LYS 7 0.339 -7.549 6.946 56 1HD LYS 7 2HD LYS 7 -1.449 -8.689 5.979 57 2HD LYS 7 1HD LYS 7 -0.214 -8.848 4.732 58 1HE LYS 7 2HE LYS 7 -1.268 -11.000 5.067 59 2HE LYS 7 1HE LYS 7 0.380 -11.079 5.698 60 1HZ LYS 7 1HZ LYS 7 -1.597 -11.950 7.114 61 2HZ LYS 7 2HZ LYS 7 -1.821 -10.308 7.491 62 3HZ LYS 7 3HZ LYS 7 -0.350 -11.075 7.861 63 H GLU 8 H GLU 8 3.898 -6.408 6.707 64 HA GLU 8 HA GLU 8 2.130 -4.404 7.682 65 1HB GLU 8 2HB GLU 8 3.909 -5.276 9.073 66 2HB GLU 8 1HB GLU 8 5.127 -4.695 7.938 67 1HG GLU 8 2HG GLU 8 4.260 -2.352 8.354 68 2HG GLU 8 1HG GLU 8 3.231 -3.019 9.618 69 H LEU 9 H LEU 9 4.680 -4.490 5.297 70 HA LEU 9 HA LEU 9 4.825 -1.712 4.658 71 1HB LEU 9 2HB LEU 9 6.524 -3.271 3.850 72 2HB LEU 9 1HB LEU 9 5.310 -4.200 2.974 73 HG LEU 9 HG LEU 9 4.802 -1.962 1.744 74 1HD1 LEU 9 1HD1 LEU 9 7.572 -1.140 1.920 75 2HD1 LEU 9 2HD1 LEU 9 6.768 -0.981 3.488 76 3HD1 LEU 9 3HD1 LEU 9 6.112 -0.194 2.050 77 1HD2 LEU 9 1HD2 LEU 9 7.352 -3.518 1.353 78 2HD2 LEU 9 2HD2 LEU 9 6.694 -2.373 0.180 79 3HD2 LEU 9 3HD2 LEU 9 5.780 -3.814 0.611 80 H GLY 10 H GLY 10 2.795 -4.375 3.586 81 1HA GLY 10 2HA GLY 10 1.326 -2.821 1.733 82 2HA GLY 10 1HA GLY 10 0.923 -4.429 2.308 83 H TRP 11 H TRP 11 0.882 -3.951 5.072 84 HA TRP 11 HA TRP 11 -1.692 -2.900 5.220 85 1HB TRP 11 2HB TRP 11 -0.495 -4.658 6.798 86 2HB TRP 11 1HB TRP 11 -0.326 -3.200 7.781 87 HD1 TRP 11 HD TRP 11 -2.201 -3.725 9.491 88 HE1 TRP 11 1HE TRP 11 -4.772 -3.878 9.351 89 HE3 TRP 11 3HE TRP 11 -2.907 -3.739 4.395 90 HZ2 TRP 11 2HZ TRP 11 -6.835 -3.925 7.384 91 HZ3 TRP 11 3HZ TRP 11 -5.126 -3.788 3.428 92 HH2 TRP 11 HH TRP 11 -7.133 -3.902 4.915 93 H ALA 12 H ALA 12 1.297 -1.624 6.490 94 HA ALA 12 HA ALA 12 0.142 0.593 7.670 95 1HB ALA 12 1HB ALA 12 2.408 0.237 8.181 96 2HB ALA 12 2HB ALA 12 2.468 1.653 7.128 97 3HB ALA 12 3HB ALA 12 2.855 0.059 6.488 98 H THR 13 H THR 13 1.127 -0.050 4.342 99 HA THR 13 HA THR 13 0.729 2.462 3.155 100 HB THR 13 HB THR 13 0.502 -0.374 2.237 101 HG1 THR 13 1HG THR 13 2.533 0.174 2.325 102 1HG2 THR 13 1HG2 THR 13 -1.082 0.670 0.813 103 2HG2 THR 13 2HG2 THR 13 0.428 0.644 -0.095 104 3HG2 THR 13 3HG2 THR 13 -0.106 2.135 0.681 105 H TRP 14 H TRP 14 -1.521 -0.216 3.726 106 HA TRP 14 HA TRP 14 -3.839 1.004 2.635 107 1HB TRP 14 2HB TRP 14 -3.418 -1.442 3.205 108 2HB TRP 14 1HB TRP 14 -3.769 -1.015 4.865 109 HD1 TRP 14 HD TRP 14 -6.207 -0.850 5.573 110 HE1 TRP 14 1HE TRP 14 -8.464 -1.129 4.372 111 HE3 TRP 14 3HE TRP 14 -4.653 -0.834 0.678 112 HZ2 TRP 14 2HZ TRP 14 -9.467 -1.334 1.713 113 HZ3 TRP 14 3HZ TRP 14 -6.272 -1.091 -1.118 114 HH2 TRP 14 HH TRP 14 -8.651 -1.344 -0.617 115 H GLU 15 H GLU 15 -2.626 0.716 5.957 116 HA GLU 15 HA GLU 15 -4.783 1.954 7.255 117 1HB GLU 15 2HB GLU 15 -1.858 1.738 8.001 118 2HB GLU 15 1HB GLU 15 -3.125 2.278 9.103 119 1HG GLU 15 2HG GLU 15 -4.265 0.159 8.975 120 2HG GLU 15 1HG GLU 15 -3.246 -0.386 7.645 121 H ILE 16 H ILE 16 -1.863 3.261 5.776 122 HA ILE 16 HA ILE 16 -2.316 6.013 6.537 123 HB ILE 16 HB ILE 16 -0.648 4.744 4.308 124 1HG1 ILE 16 2HG1 ILE 16 0.321 5.924 6.912 125 2HG1 ILE 16 1HG1 ILE 16 -0.044 4.225 6.749 126 1HG2 ILE 16 1HG2 ILE 16 -0.428 6.842 3.518 127 2HG2 ILE 16 2HG2 ILE 16 0.494 7.191 4.975 128 3HG2 ILE 16 3HG2 ILE 16 -1.233 7.542 4.922 129 1HD1 ILE 16 1HD1 ILE 16 1.851 3.818 5.545 130 2HD1 ILE 16 2HD1 ILE 16 2.411 5.345 6.218 131 3HD1 ILE 16 3HD1 ILE 16 1.687 5.304 4.603 132 H PHE 17 H PHE 17 -3.093 3.881 3.860 133 HA PHE 17 HA PHE 17 -4.183 5.707 1.984 134 1HB PHE 17 2HB PHE 17 -3.595 3.073 1.971 135 2HB PHE 17 1HB PHE 17 -5.314 2.960 2.250 136 HD1 PHE 17 1HD PHE 17 -6.889 3.477 0.520 137 HD2 PHE 17 2HD PHE 17 -2.695 4.144 -0.086 138 HE1 PHE 17 1HE PHE 17 -7.281 3.694 -1.912 139 HE2 PHE 17 2HE PHE 17 -3.067 4.370 -2.519 140 HZ PHE 17 HZ PHE 17 -5.365 4.138 -3.426 141 H ASN 18 H ASN 18 -5.523 3.905 4.690 142 HA ASN 18 HA ASN 18 -8.245 4.819 4.219 143 1HB ASN 18 2HB ASN 18 -6.994 2.973 6.257 144 2HB ASN 18 1HB ASN 18 -8.698 3.412 6.280 145 1HD2 ASN 18 1HD2 ASN 18 -6.432 2.460 3.617 146 2HD2 ASN 18 2HD2 ASN 18 -7.453 1.255 3.003 147 H LEU 19 H LEU 19 -5.698 6.431 5.558 148 HA LEU 19 HA LEU 19 -6.818 7.183 8.051 149 1HB LEU 19 2HB LEU 19 -4.508 8.034 6.462 150 2HB LEU 19 1HB LEU 19 -5.211 9.319 7.442 151 HG LEU 19 HG LEU 19 -4.378 6.583 8.476 152 1HD1 LEU 19 1HD1 LEU 19 -3.024 9.161 8.198 153 2HD1 LEU 19 2HD1 LEU 19 -2.345 7.552 8.421 154 3HD1 LEU 19 3HD1 LEU 19 -2.927 8.469 9.803 155 1HD2 LEU 19 1HD2 LEU 19 -4.590 8.231 10.638 156 2HD2 LEU 19 2HD2 LEU 19 -5.872 7.140 10.104 157 3HD2 LEU 19 3HD2 LEU 19 -5.897 8.837 9.630 158 HA PRO 20 HA PRO 20 -9.887 9.914 6.387 159 1HB PRO 20 2HB PRO 20 -10.511 10.866 9.044 160 2HB PRO 20 1HB PRO 20 -11.368 9.645 8.089 161 1HG PRO 20 2HG PRO 20 -10.020 9.113 10.388 162 2HG PRO 20 1HG PRO 20 -10.269 7.925 9.095 163 1HD PRO 20 2HD PRO 20 -7.854 9.649 9.619 164 2HD PRO 20 1HD PRO 20 -7.929 7.911 9.263 165 H ASN 21 H ASN 21 -6.946 11.148 7.185 166 HA ASN 21 HA ASN 21 -8.008 13.907 6.882 167 1HB ASN 21 2HB ASN 21 -6.306 12.957 9.158 168 2HB ASN 21 1HB ASN 21 -6.370 14.650 8.689 169 1HD2 ASN 21 1HD2 ASN 21 -8.043 12.136 10.394 170 2HD2 ASN 21 2HD2 ASN 21 -9.428 13.039 10.779 171 H LEU 22 H LEU 22 -5.804 11.663 5.831 172 HA LEU 22 HA LEU 22 -3.664 13.552 5.243 173 1HB LEU 22 2HB LEU 22 -4.039 10.680 4.396 174 2HB LEU 22 1HB LEU 22 -2.584 11.646 4.137 175 HG LEU 22 HG LEU 22 -3.790 10.987 6.841 176 1HD1 LEU 22 1HD1 LEU 22 -2.815 9.004 6.154 177 2HD1 LEU 22 2HD1 LEU 22 -1.466 9.806 6.961 178 3HD1 LEU 22 3HD1 LEU 22 -1.574 9.812 5.201 179 1HD2 LEU 22 1HD2 LEU 22 -1.387 11.809 7.474 180 2HD2 LEU 22 2HD2 LEU 22 -2.649 13.005 7.180 181 3HD2 LEU 22 3HD2 LEU 22 -1.455 12.643 5.925 182 H ASN 23 H ASN 23 -2.971 14.133 3.146 183 HA ASN 23 HA ASN 23 -5.191 14.194 1.206 184 1HB ASN 23 2HB ASN 23 -4.124 16.065 0.175 185 2HB ASN 23 1HB ASN 23 -4.101 16.360 1.908 186 1HD2 ASN 23 1HD2 ASN 23 -2.249 17.449 -0.169 187 2HD2 ASN 23 2HD2 ASN 23 -0.695 16.958 0.305 188 H GLY 24 H GLY 24 -4.526 13.986 -1.112 189 1HA GLY 24 2HA GLY 24 -3.610 11.472 -1.693 190 2HA GLY 24 1HA GLY 24 -3.561 12.805 -2.838 191 H VAL 25 H VAL 25 -1.644 14.393 -1.303 192 HA VAL 25 HA VAL 25 0.757 13.193 -2.321 193 HB VAL 25 HB VAL 25 0.301 15.716 -0.737 194 1HG1 VAL 25 1HG1 VAL 25 2.770 14.459 -1.936 195 2HG1 VAL 25 2HG1 VAL 25 2.576 15.188 -0.341 196 3HG1 VAL 25 3HG1 VAL 25 2.642 16.211 -1.776 197 1HG2 VAL 25 1HG2 VAL 25 0.898 16.631 -3.091 198 2HG2 VAL 25 2HG2 VAL 25 -0.702 15.915 -2.885 199 3HG2 VAL 25 3HG2 VAL 25 0.586 14.986 -3.658 200 H GLN 26 H GLN 26 -0.319 13.971 1.040 201 HA GLN 26 HA GLN 26 2.012 12.981 2.239 202 1HB GLN 26 2HB GLN 26 -0.720 13.614 3.182 203 2HB GLN 26 1HB GLN 26 0.281 12.599 4.215 204 1HG GLN 26 2HG GLN 26 1.765 14.272 4.687 205 2HG GLN 26 1HG GLN 26 1.674 14.948 3.056 206 1HE2 GLN 26 1HE2 GLN 26 -0.199 14.683 6.061 207 2HE2 GLN 26 2HE2 GLN 26 -1.004 16.163 5.880 208 H VAL 27 H VAL 27 -1.044 11.360 1.459 209 HA VAL 27 HA VAL 27 -0.363 8.856 2.612 210 HB VAL 27 HB VAL 27 -2.148 9.410 0.219 211 1HG1 VAL 27 1HG1 VAL 27 -3.188 7.235 0.895 212 2HG1 VAL 27 2HG1 VAL 27 -1.894 7.024 2.076 213 3HG1 VAL 27 3HG1 VAL 27 -1.521 7.052 0.353 214 1HG2 VAL 27 1HG2 VAL 27 -2.879 10.634 2.224 215 2HG2 VAL 27 2HG2 VAL 27 -2.770 9.160 3.184 216 3HG2 VAL 27 3HG2 VAL 27 -3.977 9.293 1.905 217 H LYS 28 H LYS 28 0.032 10.201 -0.625 218 HA LYS 28 HA LYS 28 1.263 7.998 -1.866 219 1HB LYS 28 2HB LYS 28 0.271 9.961 -3.025 220 2HB LYS 28 1HB LYS 28 1.580 10.973 -2.426 221 1HG LYS 28 2HG LYS 28 3.128 9.224 -3.605 222 2HG LYS 28 1HG LYS 28 1.661 8.761 -4.476 223 1HD LYS 28 2HD LYS 28 2.727 11.593 -4.291 224 2HD LYS 28 1HD LYS 28 3.000 10.520 -5.663 225 1HE LYS 28 2HE LYS 28 1.101 11.526 -6.465 226 2HE LYS 28 1HE LYS 28 0.293 10.333 -5.450 227 1HZ LYS 28 1HZ LYS 28 -0.018 11.881 -3.752 228 2HZ LYS 28 2HZ LYS 28 -0.386 12.743 -5.170 229 3HZ LYS 28 3HZ LYS 28 1.110 12.971 -4.397 230 H ALA 29 H ALA 29 2.515 10.618 0.106 231 HA ALA 29 HA ALA 29 5.270 10.167 -0.395 232 1HB ALA 29 1HB ALA 29 4.052 11.386 2.058 233 2HB ALA 29 2HB ALA 29 4.251 12.267 0.541 234 3HB ALA 29 3HB ALA 29 5.664 11.663 1.406 235 H PHE 30 H PHE 30 3.041 9.172 2.142 236 HA PHE 30 HA PHE 30 4.938 7.850 3.702 237 1HB PHE 30 2HB PHE 30 1.961 7.425 3.462 238 2HB PHE 30 1HB PHE 30 2.986 6.733 4.718 239 HD1 PHE 30 1HD PHE 30 0.633 9.150 4.431 240 HD2 PHE 30 2HD PHE 30 4.809 8.846 5.504 241 HE1 PHE 30 1HE PHE 30 0.464 11.212 5.762 242 HE2 PHE 30 2HE PHE 30 4.607 10.926 6.799 243 HZ PHE 30 HZ PHE 30 2.443 12.092 6.931 244 H ILE 31 H ILE 31 2.902 6.928 0.979 245 HA ILE 31 HA ILE 31 3.612 4.186 1.007 246 HB ILE 31 HB ILE 31 2.555 5.964 -1.191 247 1HG1 ILE 31 2HG1 ILE 31 1.306 3.701 0.403 248 2HG1 ILE 31 1HG1 ILE 31 1.029 5.414 0.694 249 1HG2 ILE 31 1HG2 ILE 31 3.064 4.388 -2.732 250 2HG2 ILE 31 2HG2 ILE 31 2.174 3.185 -1.805 251 3HG2 ILE 31 3HG2 ILE 31 3.888 3.424 -1.508 252 1HD1 ILE 31 1HD1 ILE 31 0.436 4.013 -1.921 253 2HD1 ILE 31 2HD1 ILE 31 0.033 5.679 -1.503 254 3HD1 ILE 31 3HD1 ILE 31 -0.763 4.343 -0.676 255 H ASP 32 H ASP 32 4.839 7.022 -0.668 256 HA ASP 32 HA ASP 32 6.800 5.746 -2.193 257 1HB ASP 32 2HB ASP 32 6.044 8.135 -2.446 258 2HB ASP 32 1HB ASP 32 7.010 8.527 -1.026 259 H SER 33 H SER 33 6.879 7.022 1.042 260 HA SER 33 HA SER 33 9.634 6.535 1.590 261 1HB SER 33 2HB SER 33 7.247 6.843 3.436 262 2HB SER 33 1HB SER 33 8.935 6.834 3.956 263 HG SER 33 HG SER 33 7.802 8.617 2.056 264 H LEU 34 H LEU 34 6.667 4.721 1.941 265 HA LEU 34 HA LEU 34 7.532 2.458 3.433 266 1HB LEU 34 2HB LEU 34 5.302 3.258 1.676 267 2HB LEU 34 1HB LEU 34 5.638 1.556 1.684 268 HG LEU 34 HG LEU 34 5.620 2.696 4.353 269 1HD1 LEU 34 1HD1 LEU 34 3.288 3.067 2.522 270 2HD1 LEU 34 2HD1 LEU 34 3.843 4.103 3.832 271 3HD1 LEU 34 3HD1 LEU 34 2.978 2.616 4.193 272 1HD2 LEU 34 1HD2 LEU 34 5.602 0.377 4.125 273 2HD2 LEU 34 2HD2 LEU 34 4.385 0.406 2.868 274 3HD2 LEU 34 3HD2 LEU 34 3.941 0.755 4.542 275 H ARG 35 H ARG 35 7.238 2.953 -0.072 276 HA ARG 35 HA ARG 35 8.378 0.495 -0.889 277 1HB ARG 35 2HB ARG 35 9.097 2.722 -2.660 278 2HB ARG 35 1HB ARG 35 8.171 1.270 -3.004 279 1HG ARG 35 2HG ARG 35 6.238 2.387 -1.773 280 2HG ARG 35 1HG ARG 35 7.204 3.852 -1.815 281 1HD ARG 35 2HD ARG 35 5.874 4.092 -3.714 282 2HD ARG 35 1HD ARG 35 7.347 3.392 -4.381 283 HE ARG 35 HE ARG 35 4.760 2.070 -4.071 284 1HH1 ARG 35 1HH2 ARG 35 6.305 2.030 -6.638 285 2HH1 ARG 35 2HH2 ARG 35 6.984 0.437 -6.629 286 1HH2 ARG 35 1HH1 ARG 35 6.435 -0.030 -3.243 287 2HH2 ARG 35 2HH1 ARG 35 7.051 -0.739 -4.704 288 H ASP 36 H ASP 36 9.841 3.674 -0.373 289 HA ASP 36 HA ASP 36 12.494 3.027 -1.061 290 1HB ASP 36 2HB ASP 36 11.529 5.330 -0.877 291 2HB ASP 36 1HB ASP 36 11.582 5.126 0.863 292 H ASP 37 H ASP 37 10.675 2.869 1.900 293 HA ASP 37 HA ASP 37 12.708 1.165 3.102 294 1HB ASP 37 2HB ASP 37 13.184 3.602 3.741 295 2HB ASP 37 1HB ASP 37 11.685 3.540 4.661 296 HA PRO 38 HA PRO 38 8.576 -0.407 3.923 297 1HB PRO 38 2HB PRO 38 9.752 -3.011 4.087 298 2HB PRO 38 1HB PRO 38 8.686 -2.360 2.854 299 1HG PRO 38 2HG PRO 38 11.353 -3.004 2.527 300 2HG PRO 38 1HG PRO 38 10.381 -1.999 1.441 301 1HD PRO 38 2HD PRO 38 12.418 -1.181 3.430 302 2HD PRO 38 1HD PRO 38 11.862 -0.348 1.960 303 H SER 39 H SER 39 11.570 -1.107 5.611 304 HA SER 39 HA SER 39 10.473 -2.278 7.945 305 1HB SER 39 2HB SER 39 12.970 -0.564 7.765 306 2HB SER 39 1HB SER 39 12.593 -1.763 8.999 307 HG SER 39 HG SER 39 13.161 -2.149 6.251 308 H GLN 40 H GLN 40 10.856 0.949 6.763 309 HA GLN 40 HA GLN 40 10.139 2.279 9.219 310 1HB GLN 40 2HB GLN 40 11.703 3.148 7.387 311 2HB GLN 40 1HB GLN 40 10.251 3.470 6.445 312 1HG GLN 40 2HG GLN 40 9.412 4.931 8.260 313 2HG GLN 40 1HG GLN 40 10.870 4.611 9.190 314 1HE2 GLN 40 1HE2 GLN 40 12.171 4.654 6.219 315 2HE2 GLN 40 2HE2 GLN 40 12.452 6.314 6.017 316 H SER 41 H SER 41 8.351 0.569 6.976 317 HA SER 41 HA SER 41 6.189 2.091 6.228 318 1HB SER 41 2HB SER 41 4.919 -0.004 6.199 319 2HB SER 41 1HB SER 41 6.559 -0.298 5.639 320 HG SER 41 HG SER 41 7.055 -1.192 7.593 321 H ALA 42 H ALA 42 6.745 0.579 9.378 322 HA ALA 42 HA ALA 42 4.215 1.119 10.546 323 1HB ALA 42 1HB ALA 42 5.330 0.620 12.629 324 2HB ALA 42 2HB ALA 42 6.909 0.914 11.892 325 3HB ALA 42 3HB ALA 42 5.951 -0.486 11.402 326 H ASN 43 H ASN 43 7.257 2.792 10.330 327 HA ASN 43 HA ASN 43 6.710 4.916 12.092 328 1HB ASN 43 2HB ASN 43 8.731 4.164 10.077 329 2HB ASN 43 1HB ASN 43 8.617 5.884 10.459 330 1HD2 ASN 43 1HD2 ASN 43 10.242 6.325 11.968 331 2HD2 ASN 43 2HD2 ASN 43 10.591 5.366 13.323 332 H LEU 44 H LEU 44 6.252 4.383 8.701 333 HA LEU 44 HA LEU 44 5.577 7.062 7.959 334 1HB LEU 44 2HB LEU 44 5.121 4.389 6.596 335 2HB LEU 44 1HB LEU 44 5.038 5.983 5.818 336 HG LEU 44 HG LEU 44 7.455 5.124 7.390 337 1HD1 LEU 44 1HD1 LEU 44 6.752 4.456 4.589 338 2HD1 LEU 44 2HD1 LEU 44 7.591 3.503 5.816 339 3HD1 LEU 44 3HD1 LEU 44 8.429 4.819 5.000 340 1HD2 LEU 44 1HD2 LEU 44 6.841 7.248 5.395 341 2HD2 LEU 44 2HD2 LEU 44 8.474 6.872 5.943 342 3HD2 LEU 44 3HD2 LEU 44 7.258 7.432 7.096 343 H LEU 45 H LEU 45 4.011 4.206 8.882 344 HA LEU 45 HA LEU 45 1.302 5.029 8.516 345 1HB LEU 45 2HB LEU 45 1.683 2.693 8.749 346 2HB LEU 45 1HB LEU 45 2.673 2.912 10.184 347 HG LEU 45 HG LEU 45 0.702 3.628 11.458 348 1HD1 LEU 45 1HD1 LEU 45 -0.632 4.725 9.813 349 2HD1 LEU 45 2HD1 LEU 45 -1.558 3.314 10.322 350 3HD1 LEU 45 3HD1 LEU 45 -0.683 3.289 8.792 351 1HD2 LEU 45 1HD2 LEU 45 0.305 1.057 9.899 352 2HD2 LEU 45 2HD2 LEU 45 -0.514 1.461 11.410 353 3HD2 LEU 45 3HD2 LEU 45 1.237 1.251 11.385 354 H ALA 46 H ALA 46 3.708 5.228 11.000 355 HA ALA 46 HA ALA 46 2.146 6.335 13.070 356 1HB ALA 46 1HB ALA 46 5.064 6.920 12.707 357 2HB ALA 46 2HB ALA 46 4.540 5.289 13.139 358 3HB ALA 46 3HB ALA 46 4.177 6.643 14.208 359 H GLU 47 H GLU 47 4.263 7.648 10.629 360 HA GLU 47 HA GLU 47 4.065 10.364 11.259 361 1HB GLU 47 2HB GLU 47 4.751 8.765 8.829 362 2HB GLU 47 1HB GLU 47 4.647 10.521 8.734 363 1HG GLU 47 2HG GLU 47 6.530 8.849 10.389 364 2HG GLU 47 1HG GLU 47 6.926 9.978 9.102 365 H ALA 48 H ALA 48 2.208 8.170 9.275 366 HA ALA 48 HA ALA 48 0.606 10.118 8.020 367 1HB ALA 48 1HB ALA 48 0.232 7.179 8.575 368 2HB ALA 48 2HB ALA 48 0.924 7.900 7.125 369 3HB ALA 48 3HB ALA 48 -0.775 8.123 7.485 370 H LYS 49 H LYS 49 0.200 8.019 10.851 371 HA LYS 49 HA LYS 49 -2.362 8.888 11.623 372 1HB LYS 49 2HB LYS 49 -0.141 7.408 12.829 373 2HB LYS 49 1HB LYS 49 -1.057 8.362 13.990 374 1HG LYS 49 2HG LYS 49 -2.133 6.232 13.871 375 2HG LYS 49 1HG LYS 49 -3.159 7.367 12.999 376 1HD LYS 49 2HD LYS 49 -1.817 6.602 10.892 377 2HD LYS 49 1HD LYS 49 -1.350 5.226 11.890 378 1HE LYS 49 2HE LYS 49 -3.566 4.464 12.098 379 2HE LYS 49 1HE LYS 49 -4.240 6.026 11.637 380 1HZ LYS 49 1HZ LYS 49 -3.326 3.857 9.976 381 2HZ LYS 49 2HZ LYS 49 -2.774 5.384 9.480 382 3HZ LYS 49 3HZ LYS 49 -4.440 5.088 9.637 383 H LYS 50 H LYS 50 0.833 10.202 11.997 384 HA LYS 50 HA LYS 50 0.080 12.228 13.850 385 1HB LYS 50 2HB LYS 50 2.544 11.676 12.217 386 2HB LYS 50 1HB LYS 50 2.379 13.165 13.151 387 1HG LYS 50 2HG LYS 50 2.283 11.996 15.213 388 2HG LYS 50 1HG LYS 50 1.935 10.459 14.423 389 1HD LYS 50 2HD LYS 50 4.283 10.556 15.207 390 2HD LYS 50 1HD LYS 50 4.200 10.423 13.453 391 1HE LYS 50 2HE LYS 50 4.696 12.747 13.157 392 2HE LYS 50 1HE LYS 50 4.449 13.088 14.870 393 1HZ LYS 50 1HZ LYS 50 6.765 12.967 14.517 394 2HZ LYS 50 2HZ LYS 50 6.640 11.526 13.626 395 3HZ LYS 50 3HZ LYS 50 6.336 11.524 15.298 396 H LEU 51 H LEU 51 0.592 12.034 10.404 397 HA LEU 51 HA LEU 51 0.204 14.797 9.928 398 1HB LEU 51 2HB LEU 51 0.529 12.374 8.262 399 2HB LEU 51 1HB LEU 51 -0.374 13.695 7.531 400 HG LEU 51 HG LEU 51 1.953 13.963 6.974 401 1HD1 LEU 51 1HD1 LEU 51 1.768 16.039 9.078 402 2HD1 LEU 51 2HD1 LEU 51 0.399 15.934 7.972 403 3HD1 LEU 51 3HD1 LEU 51 2.022 16.206 7.342 404 1HD2 LEU 51 1HD2 LEU 51 3.464 14.534 9.098 405 2HD2 LEU 51 2HD2 LEU 51 3.278 12.880 8.532 406 3HD2 LEU 51 3HD2 LEU 51 2.324 13.454 9.899 407 H ASN 52 H ASN 52 -1.881 11.963 9.736 408 HA ASN 52 HA ASN 52 -4.155 13.319 8.784 409 1HB ASN 52 2HB ASN 52 -5.036 11.248 8.763 410 2HB ASN 52 1HB ASN 52 -3.473 10.687 9.311 411 1HD2 ASN 52 1HD2 ASN 52 -6.760 11.279 10.275 412 2HD2 ASN 52 2HD2 ASN 52 -6.630 10.618 11.830 413 H ASP 53 H ASP 53 -2.944 12.474 12.025 414 HA ASP 53 HA ASP 53 -5.111 13.546 13.454 415 1HB ASP 53 2HB ASP 53 -3.518 12.064 14.537 416 2HB ASP 53 1HB ASP 53 -2.231 13.247 14.313 417 H ALA 54 H ALA 54 -2.095 14.943 12.301 418 HA ALA 54 HA ALA 54 -2.327 17.477 13.496 419 1HB ALA 54 1HB ALA 54 -0.839 18.170 11.520 420 2HB ALA 54 2HB ALA 54 -0.923 16.481 11.019 421 3HB ALA 54 3HB ALA 54 -0.215 16.903 12.576 422 H GLN 55 H GLN 55 -3.534 16.086 10.492 423 HA GLN 55 HA GLN 55 -4.776 18.572 9.624 424 1HB GLN 55 2HB GLN 55 -4.657 15.758 8.551 425 2HB GLN 55 1HB GLN 55 -5.678 16.997 7.811 426 1HG GLN 55 2HG GLN 55 -3.788 18.386 7.314 427 2HG GLN 55 1HG GLN 55 -2.722 17.415 8.330 428 1HE2 GLN 55 1HE2 GLN 55 -2.641 14.987 7.592 429 2HE2 GLN 55 2HE2 GLN 55 -2.534 14.734 5.918 430 H ALA 56 H ALA 56 -5.525 16.134 11.794 431 HA ALA 56 HA ALA 56 -8.412 16.163 11.379 432 1HB ALA 56 1HB ALA 56 -8.502 14.572 13.217 433 2HB ALA 56 2HB ALA 56 -6.811 14.876 13.609 434 3HB ALA 56 3HB ALA 56 -7.234 14.075 12.100 435 HA PRO 57 HA PRO 57 -9.472 19.694 13.755 436 1HB PRO 57 2HB PRO 57 -11.502 18.308 15.235 437 2HB PRO 57 1HB PRO 57 -11.690 19.359 13.827 438 1HG PRO 57 2HG PRO 57 -11.568 16.436 13.978 439 2HG PRO 57 1HG PRO 57 -12.396 17.486 12.816 440 1HD PRO 57 2HD PRO 57 -10.193 16.184 12.104 441 2HD PRO 57 1HD PRO 57 -10.464 17.861 11.580 442 H LYS 58 H LYS 58 -9.236 20.547 15.693 443 HA LYS 58 HA LYS 58 -8.488 18.927 18.024 444 1HB LYS 58 2HB LYS 58 -6.826 21.183 16.967 445 2HB LYS 58 1HB LYS 58 -6.547 20.369 18.493 446 1HG LYS 58 2HG LYS 58 -6.538 18.962 15.804 447 2HG LYS 58 1HG LYS 58 -5.086 19.556 16.597 448 1HD LYS 58 2HD LYS 58 -5.532 18.115 18.543 449 2HD LYS 58 1HD LYS 58 -7.012 17.530 17.791 450 1HE LYS 58 2HE LYS 58 -4.436 17.290 16.269 451 2HE LYS 58 1HE LYS 58 -4.766 16.150 17.572 452 1HZ LYS 58 1HZ LYS 58 -5.892 16.272 14.966 453 2HZ LYS 58 2HZ LYS 58 -7.111 16.329 16.149 454 3HZ LYS 58 3HZ LYS 58 -6.003 15.039 16.127 455 1H VAL 1 1HT VAL 1 -15.448 -4.891 7.350 456 2H VAL 1 2HT VAL 1 -14.856 -6.058 8.434 457 3H VAL 1 3HT VAL 1 -16.057 -6.473 7.304 458 HA VAL 1 HA VAL 1 -13.318 -5.593 6.581 459 HB VAL 1 HB VAL 1 -14.529 -8.322 7.037 460 1HG1 VAL 1 1HG1 VAL 1 -13.741 -8.549 4.798 461 2HG1 VAL 1 2HG1 VAL 1 -12.447 -9.191 5.811 462 3HG1 VAL 1 3HG1 VAL 1 -12.307 -7.573 5.120 463 1HG2 VAL 1 1HG2 VAL 1 -11.830 -7.085 7.689 464 2HG2 VAL 1 2HG2 VAL 1 -12.356 -8.702 8.155 465 3HG2 VAL 1 3HG2 VAL 1 -13.166 -7.286 8.823 466 H ASP 2 H ASP 2 -12.959 -5.511 4.391 467 HA ASP 2 HA ASP 2 -15.202 -5.055 2.704 468 1HB ASP 2 2HB ASP 2 -12.292 -5.406 1.953 469 2HB ASP 2 1HB ASP 2 -13.545 -4.681 0.948 470 H ASN 3 H ASN 3 -12.860 -7.691 2.971 471 HA ASN 3 HA ASN 3 -14.684 -9.620 1.930 472 1HB ASN 3 2HB ASN 3 -13.795 -8.440 -0.162 473 2HB ASN 3 1HB ASN 3 -12.220 -9.111 0.253 474 1HD2 ASN 3 1HD2 ASN 3 -15.602 -10.397 0.074 475 2HD2 ASN 3 2HD2 ASN 3 -15.161 -11.797 -0.777 476 H LYS 4 H LYS 4 -13.666 -11.806 1.854 477 HA LYS 4 HA LYS 4 -12.199 -12.411 4.149 478 1HB LYS 4 2HB LYS 4 -11.550 -14.530 2.669 479 2HB LYS 4 1HB LYS 4 -13.165 -14.322 3.341 480 1HG LYS 4 2HG LYS 4 -14.116 -13.891 1.293 481 2HG LYS 4 1HG LYS 4 -12.694 -13.049 0.691 482 1HD LYS 4 2HD LYS 4 -13.081 -15.211 -0.484 483 2HD LYS 4 1HD LYS 4 -11.529 -15.163 0.352 484 1HE LYS 4 2HE LYS 4 -12.271 -16.543 2.087 485 2HE LYS 4 1HE LYS 4 -13.970 -16.265 1.711 486 1HZ LYS 4 1HZ LYS 4 -13.697 -17.489 -0.341 487 2HZ LYS 4 2HZ LYS 4 -13.219 -18.454 0.973 488 3HZ LYS 4 3HZ LYS 4 -12.048 -17.727 -0.020 489 H PHE 5 H PHE 5 -11.199 -11.644 0.936 490 HA PHE 5 HA PHE 5 -8.463 -12.242 1.084 491 1HB PHE 5 2HB PHE 5 -10.174 -10.489 -0.644 492 2HB PHE 5 1HB PHE 5 -8.419 -10.380 -0.774 493 HD1 PHE 5 1HD PHE 5 -7.534 -11.663 -2.493 494 HD2 PHE 5 2HD PHE 5 -10.920 -13.120 -0.288 495 HE1 PHE 5 1HE PHE 5 -7.502 -13.742 -3.837 496 HE2 PHE 5 2HE PHE 5 -10.891 -15.207 -1.650 497 HZ PHE 5 HZ PHE 5 -9.177 -15.515 -3.411 498 H ASN 6 H ASN 6 -9.881 -10.228 3.200 499 HA ASN 6 HA ASN 6 -8.513 -7.776 3.040 500 1HB ASN 6 2HB ASN 6 -10.314 -8.543 4.749 501 2HB ASN 6 1HB ASN 6 -8.961 -9.186 5.671 502 1HD2 ASN 6 1HD2 ASN 6 -7.000 -7.207 5.310 503 2HD2 ASN 6 2HD2 ASN 6 -7.554 -5.736 5.946 504 H LYS 7 H LYS 7 -7.533 -10.828 4.571 505 HA LYS 7 HA LYS 7 -4.956 -9.993 5.418 506 1HB LYS 7 2HB LYS 7 -5.979 -12.027 6.292 507 2HB LYS 7 1HB LYS 7 -6.040 -12.730 4.676 508 1HG LYS 7 2HG LYS 7 -3.533 -12.602 4.581 509 2HG LYS 7 1HG LYS 7 -3.537 -12.044 6.255 510 1HD LYS 7 2HD LYS 7 -4.519 -14.113 7.018 511 2HD LYS 7 1HD LYS 7 -4.808 -14.649 5.363 512 1HE LYS 7 2HE LYS 7 -2.042 -14.083 6.469 513 2HE LYS 7 1HE LYS 7 -2.776 -15.686 6.458 514 1HZ LYS 7 1HZ LYS 7 -3.166 -14.893 3.928 515 2HZ LYS 7 2HZ LYS 7 -1.840 -15.824 4.443 516 3HZ LYS 7 3HZ LYS 7 -1.684 -14.141 4.270 517 H GLU 8 H GLU 8 -6.149 -11.611 2.521 518 HA GLU 8 HA GLU 8 -3.679 -11.931 1.188 519 1HB GLU 8 2HB GLU 8 -6.511 -11.714 0.082 520 2HB GLU 8 1HB GLU 8 -5.112 -12.316 -0.814 521 1HG GLU 8 2HG GLU 8 -6.405 -13.542 1.640 522 2HG GLU 8 1HG GLU 8 -6.297 -14.240 0.025 523 H ARG 9 H ARG 9 -5.990 -9.308 1.314 524 HA ARG 9 HA ARG 9 -5.046 -7.811 -0.876 525 1HB ARG 9 2HB ARG 9 -7.258 -7.429 0.055 526 2HB ARG 9 1HB ARG 9 -6.563 -6.969 1.609 527 1HG ARG 9 2HG ARG 9 -5.543 -5.012 0.666 528 2HG ARG 9 1HG ARG 9 -5.934 -5.520 -0.971 529 1HD ARG 9 2HD ARG 9 -7.534 -3.836 -0.326 530 2HD ARG 9 1HD ARG 9 -8.368 -5.384 -0.346 531 HE ARG 9 HE ARG 9 -7.279 -4.560 2.235 532 1HH1 ARG 9 1HH2 ARG 9 -9.780 -3.416 0.319 533 2HH1 ARG 9 2HH2 ARG 9 -11.049 -3.751 1.448 534 1HH2 ARG 9 1HH1 ARG 9 -9.015 -5.546 3.603 535 2HH2 ARG 9 2HH1 ARG 9 -10.616 -4.954 3.308 536 H VAL 10 H VAL 10 -4.352 -7.799 2.600 537 HA VAL 10 HA VAL 10 -2.681 -5.549 2.738 538 HB VAL 10 HB VAL 10 -2.357 -8.086 4.313 539 1HG1 VAL 10 1HG1 VAL 10 -1.415 -5.283 4.644 540 2HG1 VAL 10 2HG1 VAL 10 -0.571 -6.801 4.936 541 3HG1 VAL 10 3HG1 VAL 10 -1.779 -6.229 6.090 542 1HG2 VAL 10 1HG2 VAL 10 -4.653 -6.361 4.202 543 2HG2 VAL 10 2HG2 VAL 10 -3.901 -6.224 5.798 544 3HG2 VAL 10 3HG2 VAL 10 -4.397 -7.798 5.184 545 H ILE 11 H ILE 11 -2.023 -8.916 1.941 546 HA ILE 11 HA ILE 11 0.813 -8.662 1.770 547 HB ILE 11 HB ILE 11 -0.915 -10.697 0.341 548 1HG1 ILE 11 2HG1 ILE 11 -0.970 -10.204 3.090 549 2HG1 ILE 11 1HG1 ILE 11 -1.425 -11.713 2.312 550 1HG2 ILE 11 1HG2 ILE 11 1.124 -12.107 0.654 551 2HG2 ILE 11 2HG2 ILE 11 1.949 -10.715 1.359 552 3HG2 ILE 11 3HG2 ILE 11 1.437 -10.679 -0.331 553 1HD1 ILE 11 1HD1 ILE 11 0.134 -12.281 4.037 554 2HD1 ILE 11 2HD1 ILE 11 1.247 -11.001 3.556 555 3HD1 ILE 11 3HD1 ILE 11 1.027 -12.419 2.528 556 H ALA 12 H ALA 12 -1.861 -8.352 -0.562 557 HA ALA 12 HA ALA 12 -0.255 -8.074 -2.896 558 1HB ALA 12 1HB ALA 12 -3.041 -7.110 -2.222 559 2HB ALA 12 2HB ALA 12 -2.621 -8.566 -3.118 560 3HB ALA 12 3HB ALA 12 -2.315 -6.976 -3.821 561 H ILE 13 H ILE 13 -1.698 -5.756 -0.649 562 HA ILE 13 HA ILE 13 -0.773 -3.414 -1.906 563 HB ILE 13 HB ILE 13 -1.181 -3.981 1.063 564 1HG1 ILE 13 2HG1 ILE 13 -3.047 -2.592 -0.835 565 2HG1 ILE 13 1HG1 ILE 13 -3.106 -4.333 -0.608 566 1HG2 ILE 13 1HG2 ILE 13 -1.638 -1.512 1.161 567 2HG2 ILE 13 2HG2 ILE 13 -0.996 -1.385 -0.480 568 3HG2 ILE 13 3HG2 ILE 13 0.050 -1.907 0.828 569 1HD1 ILE 13 1HD1 ILE 13 -4.724 -3.183 0.845 570 2HD1 ILE 13 2HD1 ILE 13 -3.400 -2.265 1.554 571 3HD1 ILE 13 3HD1 ILE 13 -3.484 -4.002 1.798 572 H GLY 14 H GLY 14 0.610 -5.567 0.519 573 1HA GLY 14 2HA GLY 14 3.078 -4.300 0.915 574 2HA GLY 14 1HA GLY 14 2.781 -6.027 1.089 575 H GLU 15 H GLU 15 2.046 -6.648 -1.550 576 HA GLU 15 HA GLU 15 4.594 -6.974 -2.729 577 1HB GLU 15 2HB GLU 15 2.434 -8.387 -2.973 578 2HB GLU 15 1HB GLU 15 2.033 -7.263 -4.244 579 1HG GLU 15 2HG GLU 15 3.562 -8.164 -5.691 580 2HG GLU 15 1HG GLU 15 4.790 -8.241 -4.426 581 H ILE 16 H ILE 16 1.804 -4.832 -3.467 582 HA ILE 16 HA ILE 16 2.960 -3.665 -5.788 583 HB ILE 16 HB ILE 16 1.571 -1.802 -3.857 584 1HG1 ILE 16 2HG1 ILE 16 0.214 -3.914 -3.841 585 2HG1 ILE 16 1HG1 ILE 16 -0.634 -2.515 -4.445 586 1HG2 ILE 16 1HG2 ILE 16 0.606 -0.909 -5.932 587 2HG2 ILE 16 2HG2 ILE 16 1.398 -2.176 -6.861 588 3HG2 ILE 16 3HG2 ILE 16 2.361 -0.971 -6.017 589 1HD1 ILE 16 1HD1 ILE 16 -0.305 -3.203 -6.717 590 2HD1 ILE 16 2HD1 ILE 16 -0.984 -4.566 -5.820 591 3HD1 ILE 16 3HD1 ILE 16 0.739 -4.536 -6.210 592 H MET 17 H MET 17 3.080 -2.681 -2.424 593 HA MET 17 HA MET 17 4.860 -0.519 -2.624 594 1HB MET 17 2HB MET 17 4.381 -2.329 -0.273 595 2HB MET 17 1HB MET 17 5.020 -0.679 -0.244 596 1HG MET 17 2HG MET 17 2.295 -1.385 -1.345 597 2HG MET 17 1HG MET 17 2.559 -0.818 0.290 598 1HE MET 17 1HE MET 17 4.052 0.829 0.766 599 2HE MET 17 2HE MET 17 3.472 2.454 0.344 600 3HE MET 17 3HE MET 17 4.920 1.814 -0.441 601 H ARG 18 H ARG 18 5.436 -3.981 -2.559 602 HA ARG 18 HA ARG 18 8.221 -3.832 -1.886 603 1HB ARG 18 2HB ARG 18 6.546 -5.971 -3.125 604 2HB ARG 18 1HB ARG 18 8.263 -6.167 -2.866 605 1HG ARG 18 2HG ARG 18 6.787 -5.200 -0.509 606 2HG ARG 18 1HG ARG 18 6.319 -6.807 -1.046 607 1HD ARG 18 2HD ARG 18 9.203 -6.012 -0.641 608 2HD ARG 18 1HD ARG 18 8.218 -6.683 0.654 609 HE ARG 18 HE ARG 18 9.364 -8.138 -1.545 610 1HH1 ARG 18 1HH1 ARG 18 8.968 -9.444 1.065 611 2HH1 ARG 18 2HH1 ARG 18 7.608 -10.479 0.796 612 1HH2 ARG 18 1HH2 ARG 18 6.600 -8.842 -2.086 613 2HH2 ARG 18 2HH2 ARG 18 6.266 -10.139 -0.987 614 H LEU 19 H LEU 19 6.324 -3.923 -4.856 615 HA LEU 19 HA LEU 19 8.374 -4.307 -6.724 616 1HB LEU 19 2HB LEU 19 5.821 -2.738 -7.011 617 2HB LEU 19 1HB LEU 19 6.841 -3.221 -8.334 618 HG LEU 19 HG LEU 19 5.556 -5.160 -6.409 619 1HD1 LEU 19 1HD1 LEU 19 4.700 -4.325 -9.188 620 2HD1 LEU 19 2HD1 LEU 19 3.841 -3.969 -7.689 621 3HD1 LEU 19 3HD1 LEU 19 3.976 -5.628 -8.245 622 1HD2 LEU 19 1HD2 LEU 19 7.643 -5.496 -8.184 623 2HD2 LEU 19 2HD2 LEU 19 6.241 -6.060 -9.084 624 3HD2 LEU 19 3HD2 LEU 19 6.631 -6.772 -7.522 625 HA PRO 20 HA PRO 20 10.338 -0.327 -6.047 626 1HB PRO 20 2HB PRO 20 12.588 -1.301 -7.561 627 2HB PRO 20 1HB PRO 20 12.464 -1.044 -5.818 628 1HG PRO 20 2HG PRO 20 12.719 -3.479 -7.033 629 2HG PRO 20 1HG PRO 20 12.040 -3.218 -5.417 630 1HD PRO 20 2HD PRO 20 10.621 -3.687 -8.006 631 2HD PRO 20 1HD PRO 20 10.218 -4.251 -6.368 632 H ASN 21 H ASN 21 9.403 -1.810 -9.016 633 HA ASN 21 HA ASN 21 10.411 0.401 -10.650 634 1HB ASN 21 2HB ASN 21 8.845 -2.037 -11.480 635 2HB ASN 21 1HB ASN 21 9.611 -0.880 -12.550 636 1HD2 ASN 21 1HD2 ASN 21 10.173 -3.838 -12.137 637 2HD2 ASN 21 2HD2 ASN 21 11.832 -3.911 -11.784 638 H LEU 22 H LEU 22 7.474 -0.544 -9.034 639 HA LEU 22 HA LEU 22 5.681 0.900 -10.744 640 1HB LEU 22 2HB LEU 22 5.323 0.103 -7.856 641 2HB LEU 22 1HB LEU 22 4.060 0.742 -8.885 642 HG LEU 22 HG LEU 22 5.480 -1.906 -9.072 643 1HD1 LEU 22 1HD1 LEU 22 3.032 -2.649 -9.224 644 2HD1 LEU 22 2HD1 LEU 22 2.609 -0.993 -8.794 645 3HD1 LEU 22 3HD1 LEU 22 3.540 -1.980 -7.670 646 1HD2 LEU 22 1HD2 LEU 22 3.996 -2.134 -11.152 647 2HD2 LEU 22 2HD2 LEU 22 5.490 -1.215 -11.305 648 3HD2 LEU 22 3HD2 LEU 22 3.935 -0.380 -11.129 649 H ASN 23 H ASN 23 4.650 2.826 -10.391 650 HA ASN 23 HA ASN 23 6.241 4.919 -9.123 651 1HB ASN 23 2HB ASN 23 5.413 5.818 -11.059 652 2HB ASN 23 1HB ASN 23 4.138 4.643 -11.180 653 1HD2 ASN 23 1HD2 ASN 23 2.455 6.071 -11.689 654 2HD2 ASN 23 2HD2 ASN 23 1.918 7.284 -10.636 655 H SER 24 H SER 24 5.309 6.315 -7.438 656 HA SER 24 HA SER 24 3.998 4.885 -5.385 657 1HB SER 24 2HB SER 24 5.385 6.999 -5.114 658 2HB SER 24 1HB SER 24 3.972 7.896 -5.660 659 HG SER 24 HG SER 24 2.814 6.982 -3.929 660 H LEU 25 H LEU 25 2.832 7.138 -7.814 661 HA LEU 25 HA LEU 25 0.104 7.107 -7.016 662 1HB LEU 25 2HB LEU 25 1.683 8.349 -9.097 663 2HB LEU 25 1HB LEU 25 0.195 7.713 -9.742 664 HG LEU 25 HG LEU 25 0.424 9.519 -7.377 665 1HD1 LEU 25 1HD1 LEU 25 -0.648 11.196 -8.843 666 2HD1 LEU 25 2HD1 LEU 25 -0.591 10.047 -10.179 667 3HD1 LEU 25 3HD1 LEU 25 0.907 10.679 -9.497 668 1HD2 LEU 25 1HD2 LEU 25 -1.572 8.608 -6.875 669 2HD2 LEU 25 2HD2 LEU 25 -1.672 7.810 -8.445 670 3HD2 LEU 25 3HD2 LEU 25 -2.196 9.488 -8.272 671 H GLN 26 H GLN 26 2.084 5.207 -9.253 672 HA GLN 26 HA GLN 26 -0.046 3.772 -10.486 673 1HB GLN 26 2HB GLN 26 2.877 3.404 -10.192 674 2HB GLN 26 1HB GLN 26 1.951 1.942 -10.481 675 1HG GLN 26 2HG GLN 26 0.992 2.922 -12.518 676 2HG GLN 26 1HG GLN 26 1.874 4.424 -12.227 677 1HE2 GLN 26 1HE2 GLN 26 3.788 1.849 -11.169 678 2HE2 GLN 26 2HE2 GLN 26 4.726 1.659 -12.569 679 H VAL 27 H VAL 27 1.885 3.357 -7.634 680 HA VAL 27 HA VAL 27 0.957 0.821 -6.855 681 HB VAL 27 HB VAL 27 2.351 3.073 -5.436 682 1HG1 VAL 27 1HG1 VAL 27 1.271 0.505 -4.300 683 2HG1 VAL 27 2HG1 VAL 27 1.293 2.116 -3.587 684 3HG1 VAL 27 3HG1 VAL 27 2.782 1.180 -3.691 685 1HG2 VAL 27 1HG2 VAL 27 4.123 2.063 -6.392 686 2HG2 VAL 27 2HG2 VAL 27 3.064 0.840 -7.094 687 3HG2 VAL 27 3HG2 VAL 27 3.754 0.595 -5.490 688 H VAL 28 H VAL 28 -0.025 4.097 -6.033 689 HA VAL 28 HA VAL 28 -2.106 3.413 -4.273 690 HB VAL 28 HB VAL 28 -1.836 5.806 -6.119 691 1HG1 VAL 28 1HG1 VAL 28 -4.023 4.923 -4.601 692 2HG1 VAL 28 2HG1 VAL 28 -3.807 6.526 -5.301 693 3HG1 VAL 28 3HG1 VAL 28 -3.296 6.210 -3.642 694 1HG2 VAL 28 1HG2 VAL 28 -0.333 6.651 -4.645 695 2HG2 VAL 28 2HG2 VAL 28 -0.257 5.052 -3.905 696 3HG2 VAL 28 3HG2 VAL 28 -1.374 6.262 -3.273 697 H ALA 29 H ALA 29 -1.805 3.554 -7.772 698 HA ALA 29 HA ALA 29 -4.501 3.442 -8.531 699 1HB ALA 29 1HB ALA 29 -3.660 3.160 -10.639 700 2HB ALA 29 2HB ALA 29 -2.587 1.845 -10.148 701 3HB ALA 29 3HB ALA 29 -2.115 3.524 -9.870 702 H PHE 30 H PHE 30 -2.136 0.888 -7.788 703 HA PHE 30 HA PHE 30 -3.979 -1.218 -8.204 704 1HB PHE 30 2HB PHE 30 -1.245 -1.083 -6.887 705 2HB PHE 30 1HB PHE 30 -2.131 -2.578 -7.209 706 HD1 PHE 30 1HD PHE 30 -3.177 -2.557 -9.856 707 HD2 PHE 30 2HD PHE 30 0.420 -0.570 -8.471 708 HE1 PHE 30 1HE PHE 30 -2.321 -2.420 -12.148 709 HE2 PHE 30 2HE PHE 30 1.222 -0.467 -10.771 710 HZ PHE 30 HZ PHE 30 -0.135 -1.395 -12.620 711 H ILE 31 H ILE 31 -2.692 0.464 -5.315 712 HA ILE 31 HA ILE 31 -3.946 -1.120 -3.359 713 HB ILE 31 HB ILE 31 -3.331 1.846 -3.280 714 1HG1 ILE 31 2HG1 ILE 31 -1.744 -0.437 -2.075 715 2HG1 ILE 31 1HG1 ILE 31 -1.400 0.185 -3.680 716 1HG2 ILE 31 1HG2 ILE 31 -3.307 1.412 -0.777 717 2HG2 ILE 31 2HG2 ILE 31 -4.026 -0.159 -1.117 718 3HG2 ILE 31 3HG2 ILE 31 -4.903 1.315 -1.521 719 1HD1 ILE 31 1HD1 ILE 31 -1.060 2.439 -2.749 720 2HD1 ILE 31 2HD1 ILE 31 0.032 1.285 -1.976 721 3HD1 ILE 31 3HD1 ILE 31 -1.423 1.833 -1.130 722 H ASN 32 H ASN 32 -5.055 1.842 -4.956 723 HA ASN 32 HA ASN 32 -7.550 2.073 -3.700 724 1HB ASN 32 2HB ASN 32 -6.320 3.759 -5.202 725 2HB ASN 32 1HB ASN 32 -6.998 2.874 -6.560 726 1HD2 ASN 32 1HD2 ASN 32 -7.763 5.475 -6.361 727 2HD2 ASN 32 2HD2 ASN 32 -9.360 5.610 -5.800 728 H SER 33 H SER 33 -6.478 0.033 -6.395 729 HA SER 33 HA SER 33 -9.117 -0.620 -7.226 730 1HB SER 33 2HB SER 33 -6.397 -1.488 -7.950 731 2HB SER 33 1HB SER 33 -7.757 -2.515 -8.404 732 HG SER 33 HG SER 33 -7.839 0.259 -8.860 733 H LEU 34 H LEU 34 -6.836 -1.831 -4.868 734 HA LEU 34 HA LEU 34 -8.094 -4.366 -4.438 735 1HB LEU 34 2HB LEU 34 -6.861 -2.808 -2.175 736 2HB LEU 34 1HB LEU 34 -6.846 -4.541 -2.464 737 HG LEU 34 HG LEU 34 -5.276 -2.448 -3.963 738 1HD1 LEU 34 1HD1 LEU 34 -4.089 -4.815 -2.593 739 2HD1 LEU 34 2HD1 LEU 34 -4.626 -3.435 -1.634 740 3HD1 LEU 34 3HD1 LEU 34 -3.403 -3.209 -2.891 741 1HD2 LEU 34 1HD2 LEU 34 -5.672 -5.356 -4.469 742 2HD2 LEU 34 2HD2 LEU 34 -4.231 -4.536 -5.014 743 3HD2 LEU 34 3HD2 LEU 34 -5.813 -4.029 -5.592 744 H ARG 35 H ARG 35 -8.414 -1.106 -3.193 745 HA ARG 35 HA ARG 35 -10.508 -1.411 -1.321 746 1HB ARG 35 2HB ARG 35 -9.114 0.718 -2.661 747 2HB ARG 35 1HB ARG 35 -10.836 1.032 -2.802 748 1HG ARG 35 2HG ARG 35 -10.947 1.683 -0.656 749 2HG ARG 35 1HG ARG 35 -10.200 0.190 -0.099 750 1HD ARG 35 2HD ARG 35 -7.982 1.298 -0.964 751 2HD ARG 35 1HD ARG 35 -8.907 2.793 -0.861 752 HE ARG 35 HE ARG 35 -7.812 1.340 1.327 753 1HH1 ARG 35 1HH1 ARG 35 -10.699 1.038 1.962 754 2HH1 ARG 35 2HH1 ARG 35 -11.060 2.492 2.831 755 1HH2 ARG 35 1HH2 ARG 35 -8.220 4.153 1.749 756 2HH2 ARG 35 2HH2 ARG 35 -9.658 4.256 2.709 757 H ASP 36 H ASP 36 -10.504 -0.748 -4.778 758 HA ASP 36 HA ASP 36 -13.301 -0.616 -5.186 759 1HB ASP 36 2HB ASP 36 -11.021 -1.284 -7.072 760 2HB ASP 36 1HB ASP 36 -12.668 -0.922 -7.585 761 H ASP 37 H ASP 37 -10.966 -3.246 -5.310 762 HA ASP 37 HA ASP 37 -13.076 -5.242 -5.082 763 1HB ASP 37 2HB ASP 37 -11.579 -4.742 -7.576 764 2HB ASP 37 1HB ASP 37 -11.566 -6.413 -7.044 765 HA PRO 38 HA PRO 38 -9.434 -6.302 -2.610 766 1HB PRO 38 2HB PRO 38 -11.237 -7.621 -0.813 767 2HB PRO 38 1HB PRO 38 -10.301 -6.154 -0.543 768 1HG PRO 38 2HG PRO 38 -13.055 -6.315 -0.774 769 2HG PRO 38 1HG PRO 38 -12.080 -4.844 -0.889 770 1HD PRO 38 2HD PRO 38 -13.378 -6.400 -3.043 771 2HD PRO 38 1HD PRO 38 -12.885 -4.692 -3.013 772 H SER 39 H SER 39 -12.070 -8.192 -3.878 773 HA SER 39 HA SER 39 -11.054 -10.791 -3.293 774 1HB SER 39 2HB SER 39 -12.881 -9.912 -5.551 775 2HB SER 39 1HB SER 39 -12.648 -11.565 -4.986 776 HG SER 39 HG SER 39 -13.251 -9.838 -2.964 777 H GLN 40 H GLN 40 -10.847 -8.586 -6.049 778 HA GLN 40 HA GLN 40 -8.860 -10.285 -7.324 779 1HB GLN 40 2HB GLN 40 -9.543 -7.772 -8.666 780 2HB GLN 40 1HB GLN 40 -9.464 -9.400 -9.293 781 1HG GLN 40 2HG GLN 40 -11.638 -9.918 -8.148 782 2HG GLN 40 1HG GLN 40 -11.763 -8.217 -7.726 783 1HE2 GLN 40 1HE2 GLN 40 -12.655 -10.457 -10.035 784 2HE2 GLN 40 2HE2 GLN 40 -12.970 -9.400 -11.326 785 H SER 41 H SER 41 -8.408 -8.657 -4.806 786 HA SER 41 HA SER 41 -6.827 -6.432 -5.364 787 1HB SER 41 2HB SER 41 -7.428 -6.962 -3.067 788 2HB SER 41 1HB SER 41 -6.676 -8.551 -3.181 789 HG SER 41 HG SER 41 -4.668 -7.392 -3.502 790 H ALA 42 H ALA 42 -6.259 -9.803 -5.568 791 HA ALA 42 HA ALA 42 -3.429 -9.803 -5.948 792 1HB ALA 42 1HB ALA 42 -5.378 -11.910 -6.859 793 2HB ALA 42 2HB ALA 42 -4.950 -11.705 -5.156 794 3HB ALA 42 3HB ALA 42 -3.703 -12.120 -6.336 795 H ASN 43 H ASN 43 -6.223 -9.396 -7.982 796 HA ASN 43 HA ASN 43 -5.138 -10.094 -10.484 797 1HB ASN 43 2HB ASN 43 -7.522 -9.934 -9.842 798 2HB ASN 43 1HB ASN 43 -7.348 -8.181 -9.931 799 1HD2 ASN 43 1HD2 ASN 43 -6.943 -11.142 -11.939 800 2HD2 ASN 43 2HD2 ASN 43 -7.252 -10.362 -13.414 801 H LEU 44 H LEU 44 -5.810 -6.909 -9.060 802 HA LEU 44 HA LEU 44 -4.445 -5.634 -11.170 803 1HB LEU 44 2HB LEU 44 -4.983 -3.537 -10.146 804 2HB LEU 44 1HB LEU 44 -6.391 -4.571 -10.105 805 HG LEU 44 HG LEU 44 -5.995 -3.251 -8.069 806 1HD1 LEU 44 1HD1 LEU 44 -7.055 -4.753 -6.835 807 2HD1 LEU 44 2HD1 LEU 44 -5.861 -6.021 -7.160 808 3HD1 LEU 44 3HD1 LEU 44 -7.098 -5.653 -8.352 809 1HD2 LEU 44 1HD2 LEU 44 -3.978 -5.121 -7.089 810 2HD2 LEU 44 2HD2 LEU 44 -4.221 -3.419 -6.739 811 3HD2 LEU 44 3HD2 LEU 44 -3.424 -3.883 -8.213 812 H LEU 45 H LEU 45 -3.710 -6.958 -8.110 813 HA LEU 45 HA LEU 45 -1.183 -5.716 -7.663 814 1HB LEU 45 2HB LEU 45 -1.908 -6.943 -5.801 815 2HB LEU 45 1HB LEU 45 -2.541 -8.247 -6.791 816 HG LEU 45 HG LEU 45 -0.229 -8.941 -7.352 817 1HD1 LEU 45 1HD1 LEU 45 0.540 -6.781 -5.378 818 2HD1 LEU 45 2HD1 LEU 45 0.828 -6.730 -7.112 819 3HD1 LEU 45 3HD1 LEU 45 1.640 -7.934 -6.128 820 1HD2 LEU 45 1HD2 LEU 45 0.248 -9.104 -4.569 821 2HD2 LEU 45 2HD2 LEU 45 -0.511 -10.311 -5.602 822 3HD2 LEU 45 3HD2 LEU 45 -1.502 -9.118 -4.771 823 H ALA 46 H ALA 46 -2.529 -8.319 -9.485 824 HA ALA 46 HA ALA 46 -0.156 -9.496 -10.494 825 1HB ALA 46 1HB ALA 46 -2.947 -9.913 -10.784 826 2HB ALA 46 2HB ALA 46 -1.654 -10.883 -11.496 827 3HB ALA 46 3HB ALA 46 -2.353 -9.544 -12.404 828 H GLU 47 H GLU 47 -2.327 -6.949 -11.573 829 HA GLU 47 HA GLU 47 -1.034 -6.210 -13.957 830 1HB GLU 47 2HB GLU 47 -2.709 -4.561 -12.038 831 2HB GLU 47 1HB GLU 47 -2.225 -4.038 -13.646 832 1HG GLU 47 2HG GLU 47 -3.982 -6.373 -12.918 833 2HG GLU 47 1HG GLU 47 -4.471 -4.888 -13.712 834 H ALA 48 H ALA 48 -0.530 -5.425 -10.586 835 HA ALA 48 HA ALA 48 1.213 -3.218 -10.917 836 1HB ALA 48 1HB ALA 48 1.170 -3.222 -8.652 837 2HB ALA 48 2HB ALA 48 1.509 -4.953 -8.562 838 3HB ALA 48 3HB ALA 48 -0.137 -4.388 -8.865 839 H LYS 49 H LYS 49 1.729 -6.629 -10.170 840 HA LYS 49 HA LYS 49 4.543 -6.500 -10.073 841 1HB LYS 49 2HB LYS 49 2.551 -8.705 -10.499 842 2HB LYS 49 1HB LYS 49 4.284 -9.025 -10.494 843 1HG LYS 49 2HG LYS 49 4.401 -7.949 -8.235 844 2HG LYS 49 1HG LYS 49 2.642 -7.816 -8.256 845 1HD LYS 49 2HD LYS 49 4.132 -10.438 -8.596 846 2HD LYS 49 1HD LYS 49 3.520 -9.861 -7.053 847 1HE LYS 49 2HE LYS 49 1.320 -9.598 -8.733 848 2HE LYS 49 1HE LYS 49 2.070 -11.096 -9.279 849 1HZ LYS 49 1HZ LYS 49 1.894 -12.036 -7.168 850 2HZ LYS 49 2HZ LYS 49 0.407 -11.246 -7.390 851 3HZ LYS 49 3HZ LYS 49 1.607 -10.544 -6.412 852 H LYS 50 H LYS 50 2.203 -6.951 -12.596 853 HA LYS 50 HA LYS 50 3.975 -7.503 -14.759 854 1HB LYS 50 2HB LYS 50 1.171 -6.435 -14.608 855 2HB LYS 50 1HB LYS 50 2.010 -6.686 -16.134 856 1HG LYS 50 2HG LYS 50 2.247 -9.058 -15.692 857 2HG LYS 50 1HG LYS 50 1.595 -8.870 -14.068 858 1HD LYS 50 2HD LYS 50 -0.520 -7.931 -15.191 859 2HD LYS 50 1HD LYS 50 0.146 -8.536 -16.706 860 1HE LYS 50 2HE LYS 50 -0.160 -10.748 -16.118 861 2HE LYS 50 1HE LYS 50 0.049 -10.431 -14.395 862 1HZ LYS 50 1HZ LYS 50 -2.188 -10.749 -14.476 863 2HZ LYS 50 2HZ LYS 50 -2.344 -10.158 -16.061 864 3HZ LYS 50 3HZ LYS 50 -2.151 -9.077 -14.764 865 H LEU 51 H LEU 51 2.559 -4.576 -13.359 866 HA LEU 51 HA LEU 51 3.554 -2.807 -15.369 867 1HB LEU 51 2HB LEU 51 2.091 -2.564 -12.859 868 2HB LEU 51 1HB LEU 51 3.310 -1.308 -13.022 869 HG LEU 51 HG LEU 51 1.097 -0.701 -14.011 870 1HD1 LEU 51 1HD1 LEU 51 2.747 0.638 -14.877 871 2HD1 LEU 51 2HD1 LEU 51 2.273 -0.193 -16.362 872 3HD1 LEU 51 3HD1 LEU 51 3.704 -0.728 -15.473 873 1HD2 LEU 51 1HD2 LEU 51 0.040 -2.220 -15.308 874 2HD2 LEU 51 2HD2 LEU 51 1.438 -3.294 -15.242 875 3HD2 LEU 51 3HD2 LEU 51 1.329 -2.066 -16.504 876 H ASN 52 H ASN 52 4.656 -3.902 -12.264 877 HA ASN 52 HA ASN 52 6.998 -2.317 -12.091 878 1HB ASN 52 2HB ASN 52 6.227 -3.496 -10.146 879 2HB ASN 52 1HB ASN 52 6.304 -5.041 -10.973 880 1HD2 ASN 52 1HD2 ASN 52 8.510 -5.787 -11.615 881 2HD2 ASN 52 2HD2 ASN 52 9.846 -5.318 -10.680 882 H ASP 53 H ASP 53 6.132 -5.382 -13.496 883 HA ASP 53 HA ASP 53 8.736 -6.076 -14.470 884 1HB ASP 53 2HB ASP 53 5.968 -6.939 -15.335 885 2HB ASP 53 1HB ASP 53 7.446 -7.613 -16.006 886 H ALA 54 H ALA 54 6.032 -4.232 -15.689 887 HA ALA 54 HA ALA 54 6.865 -3.909 -18.367 888 1HB ALA 54 1HB ALA 54 4.579 -3.447 -17.254 889 2HB ALA 54 2HB ALA 54 5.116 -2.369 -18.543 890 3HB ALA 54 3HB ALA 54 5.262 -1.870 -16.858 891 H GLN 55 H GLN 55 7.454 -2.073 -15.407 892 HA GLN 55 HA GLN 55 9.057 -0.079 -16.807 893 1HB GLN 55 2HB GLN 55 8.266 -0.438 -13.958 894 2HB GLN 55 1HB GLN 55 9.244 0.898 -14.529 895 1HG GLN 55 2HG GLN 55 7.477 1.855 -15.695 896 2HG GLN 55 1HG GLN 55 6.639 0.314 -15.887 897 1HE2 GLN 55 1HE2 GLN 55 6.147 -0.698 -13.528 898 2HE2 GLN 55 2HE2 GLN 55 5.393 0.390 -12.467 899 H ALA 56 H ALA 56 9.542 -3.120 -15.491 900 HA ALA 56 HA ALA 56 12.057 -2.802 -14.196 901 1HB ALA 56 1HB ALA 56 12.262 -5.198 -14.344 902 2HB ALA 56 2HB ALA 56 11.049 -5.272 -15.619 903 3HB ALA 56 3HB ALA 56 10.580 -4.826 -13.980 904 HA PRO 57 HA PRO 57 14.820 -2.595 -17.553 905 1HB PRO 57 2HB PRO 57 16.881 -4.178 -16.301 906 2HB PRO 57 1HB PRO 57 16.723 -2.419 -16.332 907 1HG PRO 57 2HG PRO 57 16.473 -3.979 -14.092 908 2HG PRO 57 1HG PRO 57 15.816 -2.346 -14.276 909 1HD PRO 57 2HD PRO 57 14.420 -4.982 -14.521 910 2HD PRO 57 1HD PRO 57 13.844 -3.451 -13.821 911 H LYS 58 H LYS 58 12.970 -4.784 -17.693 912 HA LYS 58 HA LYS 58 14.473 -6.992 -18.887 913 1HB LYS 58 2HB LYS 58 11.716 -6.626 -17.879 914 2HB LYS 58 1HB LYS 58 11.969 -7.825 -19.136 915 1HG LYS 58 2HG LYS 58 12.295 -9.076 -17.177 916 2HG LYS 58 1HG LYS 58 13.943 -8.637 -17.623 917 1HD LYS 58 2HD LYS 58 13.059 -6.477 -16.068 918 2HD LYS 58 1HD LYS 58 12.405 -7.891 -15.250 919 1HE LYS 58 2HE LYS 58 14.568 -7.570 -14.309 920 2HE LYS 58 1HE LYS 58 14.756 -8.904 -15.447 921 1HZ LYS 58 1HZ LYS 58 15.564 -6.079 -15.777 922 2HZ LYS 58 2HZ LYS 58 15.379 -7.109 -17.114 923 3HZ LYS 58 3HZ LYS 58 16.520 -7.474 -15.909 Start of MODEL 13 1 1H VAL 1 1HT VAL 1 2.836 -19.771 7.108 2 2H VAL 1 2HT VAL 1 1.548 -18.668 7.018 3 3H VAL 1 3HT VAL 1 2.000 -19.330 8.516 4 HA VAL 1 HA VAL 1 2.875 -17.169 8.516 5 HB VAL 1 HB VAL 1 5.093 -19.046 7.617 6 1HG1 VAL 1 1HG1 VAL 1 5.951 -16.813 7.770 7 2HG1 VAL 1 2HG1 VAL 1 6.412 -17.614 9.271 8 3HG1 VAL 1 3HG1 VAL 1 5.050 -16.494 9.253 9 1HG2 VAL 1 1HG2 VAL 1 3.831 -20.127 9.383 10 2HG2 VAL 1 2HG2 VAL 1 3.779 -18.637 10.325 11 3HG2 VAL 1 3HG2 VAL 1 5.309 -19.484 10.097 12 H ASP 2 H ASP 2 3.914 -15.436 7.439 13 HA ASP 2 HA ASP 2 4.545 -15.670 4.603 14 1HB ASP 2 2HB ASP 2 2.965 -13.907 3.932 15 2HB ASP 2 1HB ASP 2 2.110 -15.301 4.583 16 H ASN 3 H ASN 3 4.974 -13.269 3.788 17 HA ASN 3 HA ASN 3 7.182 -12.289 5.303 18 1HB ASN 3 2HB ASN 3 5.672 -11.225 2.906 19 2HB ASN 3 1HB ASN 3 7.077 -10.404 3.593 20 1HD2 ASN 3 1HD2 ASN 3 6.097 -12.906 1.443 21 2HD2 ASN 3 2HD2 ASN 3 7.630 -13.587 1.187 22 H LYS 4 H LYS 4 6.749 -11.430 7.276 23 HA LYS 4 HA LYS 4 4.402 -10.001 7.941 24 1HB LYS 4 2HB LYS 4 5.849 -9.229 9.950 25 2HB LYS 4 1HB LYS 4 5.477 -10.940 9.785 26 1HG LYS 4 2HG LYS 4 7.644 -11.506 9.212 27 2HG LYS 4 1HG LYS 4 7.989 -9.936 8.494 28 1HD LYS 4 2HD LYS 4 7.461 -10.145 11.448 29 2HD LYS 4 1HD LYS 4 9.055 -10.552 10.815 30 1HE LYS 4 2HE LYS 4 9.577 -8.362 10.692 31 2HE LYS 4 1HE LYS 4 8.218 -8.084 9.604 32 1HZ LYS 4 1HZ LYS 4 7.640 -8.382 12.455 33 2HZ LYS 4 2HZ LYS 4 6.879 -7.411 11.287 34 3HZ LYS 4 3HZ LYS 4 8.369 -6.937 11.951 35 H PHE 5 H PHE 5 7.698 -8.793 7.198 36 HA PHE 5 HA PHE 5 7.103 -6.082 7.550 37 1HB PHE 5 2HB PHE 5 9.199 -5.613 6.644 38 2HB PHE 5 1HB PHE 5 9.413 -7.239 7.279 39 HD1 PHE 5 1HD PHE 5 9.412 -5.145 4.301 40 HD2 PHE 5 2HD PHE 5 9.246 -9.218 5.697 41 HE1 PHE 5 1HE PHE 5 10.058 -5.951 2.055 42 HE2 PHE 5 2HE PHE 5 9.887 -10.014 3.441 43 HZ PHE 5 HZ PHE 5 10.295 -8.381 1.621 44 H ASN 6 H ASN 6 6.838 -8.208 4.740 45 HA ASN 6 HA ASN 6 6.134 -6.225 2.824 46 1HB ASN 6 2HB ASN 6 6.831 -8.522 2.237 47 2HB ASN 6 1HB ASN 6 5.352 -9.140 2.961 48 1HD2 ASN 6 1HD2 ASN 6 3.299 -8.686 1.837 49 2HD2 ASN 6 2HD2 ASN 6 3.297 -8.215 0.205 50 H LYS 7 H LYS 7 4.254 -8.357 4.945 51 HA LYS 7 HA LYS 7 1.702 -7.515 4.093 52 1HB LYS 7 2HB LYS 7 2.265 -9.596 5.454 53 2HB LYS 7 1HB LYS 7 2.412 -8.536 6.855 54 1HG LYS 7 2HG LYS 7 0.115 -7.851 6.684 55 2HG LYS 7 1HG LYS 7 -0.059 -8.621 5.107 56 1HD LYS 7 2HD LYS 7 0.824 -10.405 7.310 57 2HD LYS 7 1HD LYS 7 -0.826 -9.794 7.436 58 1HE LYS 7 2HE LYS 7 -1.334 -10.619 5.173 59 2HE LYS 7 1HE LYS 7 0.334 -11.164 4.996 60 1HZ LYS 7 1HZ LYS 7 0.049 -12.726 6.735 61 2HZ LYS 7 2HZ LYS 7 -1.254 -12.923 5.663 62 3HZ LYS 7 3HZ LYS 7 -1.478 -12.108 7.137 63 H GLU 8 H GLU 8 3.936 -6.449 6.604 64 HA GLU 8 HA GLU 8 2.192 -4.477 7.674 65 1HB GLU 8 2HB GLU 8 5.171 -4.905 7.865 66 2HB GLU 8 1HB GLU 8 4.338 -3.578 8.688 67 1HG GLU 8 2HG GLU 8 3.035 -5.084 10.008 68 2HG GLU 8 1HG GLU 8 3.497 -6.467 9.023 69 H LEU 9 H LEU 9 4.697 -4.477 5.250 70 HA LEU 9 HA LEU 9 4.833 -1.685 4.676 71 1HB LEU 9 2HB LEU 9 6.541 -3.174 3.813 72 2HB LEU 9 1HB LEU 9 5.339 -4.160 2.984 73 HG LEU 9 HG LEU 9 4.735 -2.008 1.681 74 1HD1 LEU 9 1HD1 LEU 9 6.643 -0.857 3.410 75 2HD1 LEU 9 2HD1 LEU 9 5.904 -0.144 1.967 76 3HD1 LEU 9 3HD1 LEU 9 7.428 -0.978 1.829 77 1HD2 LEU 9 1HD2 LEU 9 6.698 -2.314 0.165 78 2HD2 LEU 9 2HD2 LEU 9 5.847 -3.795 0.590 79 3HD2 LEU 9 3HD2 LEU 9 7.379 -3.411 1.372 80 H GLY 10 H GLY 10 2.808 -4.330 3.547 81 1HA GLY 10 2HA GLY 10 1.328 -2.726 1.746 82 2HA GLY 10 1HA GLY 10 0.928 -4.349 2.273 83 H TRP 11 H TRP 11 0.935 -3.891 5.071 84 HA TRP 11 HA TRP 11 -1.659 -2.907 5.251 85 1HB TRP 11 2HB TRP 11 -0.416 -4.640 6.801 86 2HB TRP 11 1HB TRP 11 -0.244 -3.183 7.788 87 HD1 TRP 11 HD TRP 11 -2.073 -3.766 9.534 88 HE1 TRP 11 1HE TRP 11 -4.645 -3.943 9.452 89 HE3 TRP 11 3HE TRP 11 -2.905 -3.711 4.453 90 HZ2 TRP 11 2HZ TRP 11 -6.754 -3.978 7.537 91 HZ3 TRP 11 3HZ TRP 11 -5.143 -3.765 3.544 92 HH2 TRP 11 HH TRP 11 -7.112 -3.921 5.076 93 H ALA 12 H ALA 12 1.303 -1.563 6.520 94 HA ALA 12 HA ALA 12 0.094 0.633 7.696 95 1HB ALA 12 1HB ALA 12 2.817 0.004 6.672 96 2HB ALA 12 2HB ALA 12 2.317 0.512 8.280 97 3HB ALA 12 3HB ALA 12 2.458 1.701 6.983 98 H THR 13 H THR 13 1.091 -0.001 4.375 99 HA THR 13 HA THR 13 0.695 2.504 3.174 100 HB THR 13 HB THR 13 0.466 -0.342 2.285 101 HG1 THR 13 1HG THR 13 2.252 1.771 2.110 102 1HG2 THR 13 1HG2 THR 13 0.366 0.629 -0.062 103 2HG2 THR 13 2HG2 THR 13 -0.158 2.137 0.687 104 3HG2 THR 13 3HG2 THR 13 -1.137 0.673 0.860 105 H TRP 14 H TRP 14 -1.560 -0.166 3.732 106 HA TRP 14 HA TRP 14 -3.872 1.023 2.607 107 1HB TRP 14 2HB TRP 14 -3.407 -1.403 3.236 108 2HB TRP 14 1HB TRP 14 -3.796 -0.945 4.878 109 HD1 TRP 14 HD TRP 14 -6.265 -0.774 5.526 110 HE1 TRP 14 1HE TRP 14 -8.469 -1.245 4.313 111 HE3 TRP 14 3HE TRP 14 -4.604 -0.916 0.684 112 HZ2 TRP 14 2HZ TRP 14 -9.403 -1.638 1.663 113 HZ3 TRP 14 3HZ TRP 14 -6.176 -1.328 -1.128 114 HH2 TRP 14 HH TRP 14 -8.553 -1.701 -0.654 115 H GLU 15 H GLU 15 -2.686 0.793 5.940 116 HA GLU 15 HA GLU 15 -4.857 2.057 7.196 117 1HB GLU 15 2HB GLU 15 -1.941 1.856 7.988 118 2HB GLU 15 1HB GLU 15 -3.233 2.398 9.063 119 1HG GLU 15 2HG GLU 15 -4.355 0.266 8.930 120 2HG GLU 15 1HG GLU 15 -3.301 -0.284 7.630 121 H ILE 16 H ILE 16 -1.899 3.317 5.749 122 HA ILE 16 HA ILE 16 -2.322 6.077 6.460 123 HB ILE 16 HB ILE 16 -0.663 4.748 4.263 124 1HG1 ILE 16 2HG1 ILE 16 0.244 5.972 6.866 125 2HG1 ILE 16 1HG1 ILE 16 -0.065 4.270 6.688 126 1HG2 ILE 16 1HG2 ILE 16 -0.347 6.810 3.416 127 2HG2 ILE 16 2HG2 ILE 16 0.463 7.238 4.918 128 3HG2 ILE 16 3HG2 ILE 16 -1.260 7.556 4.726 129 1HD1 ILE 16 1HD1 ILE 16 2.365 5.506 6.204 130 2HD1 ILE 16 2HD1 ILE 16 1.685 5.354 4.578 131 3HD1 ILE 16 3HD1 ILE 16 1.896 3.922 5.594 132 H PHE 17 H PHE 17 -3.152 3.938 3.812 133 HA PHE 17 HA PHE 17 -4.216 5.800 1.948 134 1HB PHE 17 2HB PHE 17 -3.635 3.152 1.909 135 2HB PHE 17 1HB PHE 17 -5.364 3.060 2.135 136 HD1 PHE 17 1HD PHE 17 -2.666 4.295 -0.090 137 HD2 PHE 17 2HD PHE 17 -6.879 3.606 0.363 138 HE1 PHE 17 1HE PHE 17 -2.972 4.596 -2.524 139 HE2 PHE 17 2HE PHE 17 -7.194 3.930 -2.072 140 HZ PHE 17 HZ PHE 17 -5.243 4.414 -3.506 141 H ASN 18 H ASN 18 -5.587 3.922 4.592 142 HA ASN 18 HA ASN 18 -8.296 4.862 4.124 143 1HB ASN 18 2HB ASN 18 -7.070 2.968 6.132 144 2HB ASN 18 1HB ASN 18 -8.774 3.410 6.145 145 1HD2 ASN 18 1HD2 ASN 18 -6.485 2.523 3.476 146 2HD2 ASN 18 2HD2 ASN 18 -7.499 1.328 2.827 147 H LEU 19 H LEU 19 -5.763 6.444 5.519 148 HA LEU 19 HA LEU 19 -6.905 7.174 8.017 149 1HB LEU 19 2HB LEU 19 -4.602 8.067 6.422 150 2HB LEU 19 1HB LEU 19 -5.289 9.295 7.481 151 HG LEU 19 HG LEU 19 -4.435 6.510 8.364 152 1HD1 LEU 19 1HD1 LEU 19 -2.504 7.796 7.855 153 2HD1 LEU 19 2HD1 LEU 19 -2.700 7.869 9.603 154 3HD1 LEU 19 3HD1 LEU 19 -3.189 9.230 8.603 155 1HD2 LEU 19 1HD2 LEU 19 -4.625 8.422 10.488 156 2HD2 LEU 19 2HD2 LEU 19 -5.551 6.935 10.268 157 3HD2 LEU 19 3HD2 LEU 19 -6.139 8.446 9.594 158 HA PRO 20 HA PRO 20 -9.978 9.871 6.336 159 1HB PRO 20 2HB PRO 20 -10.520 10.950 8.962 160 2HB PRO 20 1HB PRO 20 -11.450 9.759 8.040 161 1HG PRO 20 2HG PRO 20 -10.091 9.229 10.341 162 2HG PRO 20 1HG PRO 20 -10.474 8.018 9.105 163 1HD PRO 20 2HD PRO 20 -7.907 9.474 9.583 164 2HD PRO 20 1HD PRO 20 -8.173 7.783 9.145 165 H ASN 21 H ASN 21 -6.995 11.189 7.088 166 HA ASN 21 HA ASN 21 -8.102 13.871 6.462 167 1HB ASN 21 2HB ASN 21 -6.320 13.423 8.851 168 2HB ASN 21 1HB ASN 21 -6.795 14.986 8.219 169 1HD2 ASN 21 1HD2 ASN 21 -7.701 12.544 10.420 170 2HD2 ASN 21 2HD2 ASN 21 -9.291 13.069 10.700 171 H LEU 22 H LEU 22 -5.780 11.613 5.759 172 HA LEU 22 HA LEU 22 -3.613 13.450 5.207 173 1HB LEU 22 2HB LEU 22 -4.023 10.589 4.337 174 2HB LEU 22 1HB LEU 22 -2.532 11.517 4.146 175 HG LEU 22 HG LEU 22 -3.889 10.914 6.784 176 1HD1 LEU 22 1HD1 LEU 22 -1.511 9.733 5.366 177 2HD1 LEU 22 2HD1 LEU 22 -2.921 8.908 6.022 178 3HD1 LEU 22 3HD1 LEU 22 -1.727 9.608 7.109 179 1HD2 LEU 22 1HD2 LEU 22 -1.529 12.566 5.970 180 2HD2 LEU 22 2HD2 LEU 22 -1.452 11.680 7.488 181 3HD2 LEU 22 3HD2 LEU 22 -2.726 12.873 7.237 182 H ASN 23 H ASN 23 -2.817 14.073 3.196 183 HA ASN 23 HA ASN 23 -4.907 14.293 1.145 184 1HB ASN 23 2HB ASN 23 -3.885 16.228 0.442 185 2HB ASN 23 1HB ASN 23 -3.368 16.234 2.124 186 1HD2 ASN 23 1HD2 ASN 23 -1.089 15.971 2.546 187 2HD2 ASN 23 2HD2 ASN 23 0.055 15.845 1.297 188 H GLY 24 H GLY 24 -4.306 13.928 -1.121 189 1HA GLY 24 2HA GLY 24 -3.448 11.385 -1.669 190 2HA GLY 24 1HA GLY 24 -3.384 12.694 -2.841 191 H VAL 25 H VAL 25 -1.429 14.316 -1.644 192 HA VAL 25 HA VAL 25 0.954 13.030 -2.522 193 HB VAL 25 HB VAL 25 0.639 15.596 -0.956 194 1HG1 VAL 25 1HG1 VAL 25 2.916 14.987 -0.785 195 2HG1 VAL 25 2HG1 VAL 25 2.872 16.051 -2.190 196 3HG1 VAL 25 3HG1 VAL 25 2.944 14.302 -2.412 197 1HG2 VAL 25 1HG2 VAL 25 0.555 14.880 -3.883 198 2HG2 VAL 25 2HG2 VAL 25 1.043 16.497 -3.365 199 3HG2 VAL 25 3HG2 VAL 25 -0.563 15.890 -2.962 200 H GLN 26 H GLN 26 -0.238 13.910 0.766 201 HA GLN 26 HA GLN 26 2.086 13.007 2.078 202 1HB GLN 26 2HB GLN 26 -0.630 13.782 2.869 203 2HB GLN 26 1HB GLN 26 0.126 12.602 3.938 204 1HG GLN 26 2HG GLN 26 1.870 14.029 4.531 205 2HG GLN 26 1HG GLN 26 1.760 14.953 3.028 206 1HE2 GLN 26 1HE2 GLN 26 -0.432 14.168 5.749 207 2HE2 GLN 26 2HE2 GLN 26 -0.995 15.753 5.950 208 H VAL 27 H VAL 27 -0.942 11.335 1.277 209 HA VAL 27 HA VAL 27 -0.245 8.852 2.469 210 HB VAL 27 HB VAL 27 -2.044 9.387 0.081 211 1HG1 VAL 27 1HG1 VAL 27 -1.391 7.030 0.207 212 2HG1 VAL 27 2HG1 VAL 27 -3.063 7.202 0.738 213 3HG1 VAL 27 3HG1 VAL 27 -1.777 6.993 1.927 214 1HG2 VAL 27 1HG2 VAL 27 -2.745 10.592 2.124 215 2HG2 VAL 27 2HG2 VAL 27 -2.668 9.090 3.042 216 3HG2 VAL 27 3HG2 VAL 27 -3.863 9.280 1.760 217 H LYS 28 H LYS 28 0.201 10.207 -0.751 218 HA LYS 28 HA LYS 28 1.433 7.986 -1.989 219 1HB LYS 28 2HB LYS 28 0.500 9.982 -3.187 220 2HB LYS 28 1HB LYS 28 1.835 10.951 -2.573 221 1HG LYS 28 2HG LYS 28 3.414 9.330 -3.711 222 2HG LYS 28 1HG LYS 28 1.999 8.572 -4.451 223 1HD LYS 28 2HD LYS 28 1.367 10.763 -5.444 224 2HD LYS 28 1HD LYS 28 2.820 11.480 -4.751 225 1HE LYS 28 2HE LYS 28 2.936 9.084 -6.595 226 2HE LYS 28 1HE LYS 28 2.982 10.739 -7.199 227 1HZ LYS 28 1HZ LYS 28 4.837 9.713 -5.125 228 2HZ LYS 28 2HZ LYS 28 4.945 11.177 -5.981 229 3HZ LYS 28 3HZ LYS 28 5.198 9.702 -6.783 230 H ALA 29 H ALA 29 2.667 10.602 -0.004 231 HA ALA 29 HA ALA 29 5.426 10.104 -0.432 232 1HB ALA 29 1HB ALA 29 5.801 11.633 1.353 233 2HB ALA 29 2HB ALA 29 4.154 11.422 1.944 234 3HB ALA 29 3HB ALA 29 4.445 12.250 0.414 235 H PHE 30 H PHE 30 3.107 9.203 2.064 236 HA PHE 30 HA PHE 30 4.939 7.881 3.701 237 1HB PHE 30 2HB PHE 30 1.965 7.481 3.382 238 2HB PHE 30 1HB PHE 30 2.947 6.815 4.683 239 HD1 PHE 30 1HD PHE 30 0.605 9.204 4.318 240 HD2 PHE 30 2HD PHE 30 4.771 8.968 5.431 241 HE1 PHE 30 1HE PHE 30 0.402 11.302 5.589 242 HE2 PHE 30 2HE PHE 30 4.538 11.082 6.674 243 HZ PHE 30 HZ PHE 30 2.362 12.235 6.750 244 H ILE 31 H ILE 31 3.001 6.972 0.912 245 HA ILE 31 HA ILE 31 3.654 4.211 0.968 246 HB ILE 31 HB ILE 31 2.596 6.054 -1.152 247 1HG1 ILE 31 2HG1 ILE 31 1.515 3.496 0.080 248 2HG1 ILE 31 1HG1 ILE 31 1.129 5.112 0.660 249 1HG2 ILE 31 1HG2 ILE 31 3.823 3.330 -1.543 250 2HG2 ILE 31 2HG2 ILE 31 3.822 4.715 -2.624 251 3HG2 ILE 31 3HG2 ILE 31 2.373 3.729 -2.459 252 1HD1 ILE 31 1HD1 ILE 31 0.146 5.681 -1.511 253 2HD1 ILE 31 2HD1 ILE 31 -0.619 4.232 -0.858 254 3HD1 ILE 31 3HD1 ILE 31 0.582 4.091 -2.139 255 H ASP 32 H ASP 32 4.987 7.000 -0.720 256 HA ASP 32 HA ASP 32 6.985 5.599 -2.093 257 1HB ASP 32 2HB ASP 32 6.237 7.995 -2.497 258 2HB ASP 32 1HB ASP 32 7.215 8.453 -1.105 259 H SER 33 H SER 33 6.938 7.005 1.092 260 HA SER 33 HA SER 33 9.676 6.555 1.755 261 1HB SER 33 2HB SER 33 7.229 6.847 3.525 262 2HB SER 33 1HB SER 33 8.904 6.893 4.082 263 HG SER 33 HG SER 33 7.758 8.617 2.135 264 H LEU 34 H LEU 34 6.698 4.768 2.053 265 HA LEU 34 HA LEU 34 7.512 2.469 3.533 266 1HB LEU 34 2HB LEU 34 5.309 3.364 1.788 267 2HB LEU 34 1HB LEU 34 5.598 1.656 1.751 268 HG LEU 34 HG LEU 34 5.626 2.678 4.451 269 1HD1 LEU 34 1HD1 LEU 34 2.949 2.723 4.228 270 2HD1 LEU 34 2HD1 LEU 34 3.371 3.381 2.655 271 3HD1 LEU 34 3HD1 LEU 34 3.923 4.186 4.119 272 1HD2 LEU 34 1HD2 LEU 34 3.821 0.838 4.543 273 2HD2 LEU 34 2HD2 LEU 34 5.465 0.387 4.122 274 3HD2 LEU 34 3HD2 LEU 34 4.263 0.541 2.862 275 H ARG 35 H ARG 35 7.238 3.098 0.087 276 HA ARG 35 HA ARG 35 8.290 0.699 -0.932 277 1HB ARG 35 2HB ARG 35 8.383 3.503 -2.064 278 2HB ARG 35 1HB ARG 35 8.723 2.036 -2.981 279 1HG ARG 35 2HG ARG 35 6.467 1.219 -2.576 280 2HG ARG 35 1HG ARG 35 6.134 2.587 -1.551 281 1HD ARG 35 2HD ARG 35 5.153 3.038 -3.699 282 2HD ARG 35 1HD ARG 35 6.526 4.114 -3.461 283 HE ARG 35 HE ARG 35 7.442 3.153 -5.315 284 1HH1 ARG 35 1HH2 ARG 35 5.257 0.919 -3.854 285 2HH1 ARG 35 2HH2 ARG 35 5.557 -0.338 -5.014 286 1HH2 ARG 35 1HH1 ARG 35 7.858 1.522 -6.813 287 2HH2 ARG 35 2HH1 ARG 35 7.033 0.005 -6.683 288 H ASP 36 H ASP 36 9.846 3.778 -0.153 289 HA ASP 36 HA ASP 36 12.476 3.077 -0.939 290 1HB ASP 36 2HB ASP 36 11.633 5.401 -0.651 291 2HB ASP 36 1HB ASP 36 11.633 5.118 1.079 292 H ASP 37 H ASP 37 10.716 2.928 2.084 293 HA ASP 37 HA ASP 37 12.669 1.042 3.156 294 1HB ASP 37 2HB ASP 37 13.252 3.420 3.916 295 2HB ASP 37 1HB ASP 37 11.753 3.379 4.837 296 HA PRO 38 HA PRO 38 8.475 -0.401 3.903 297 1HB PRO 38 2HB PRO 38 9.534 -3.060 3.974 298 2HB PRO 38 1HB PRO 38 8.517 -2.307 2.756 299 1HG PRO 38 2HG PRO 38 11.165 -3.053 2.445 300 2HG PRO 38 1HG PRO 38 10.242 -1.989 1.375 301 1HD PRO 38 2HD PRO 38 12.294 -1.292 3.387 302 2HD PRO 38 1HD PRO 38 11.757 -0.391 1.951 303 H SER 39 H SER 39 11.425 -1.276 5.592 304 HA SER 39 HA SER 39 10.239 -2.483 7.866 305 1HB SER 39 2HB SER 39 12.691 -2.581 7.287 306 2HB SER 39 1HB SER 39 12.824 -0.893 7.773 307 HG SER 39 HG SER 39 12.047 -1.529 9.838 308 H GLN 40 H GLN 40 10.756 0.762 6.795 309 HA GLN 40 HA GLN 40 10.095 2.034 9.301 310 1HB GLN 40 2HB GLN 40 11.717 2.896 7.515 311 2HB GLN 40 1HB GLN 40 10.287 3.325 6.580 312 1HG GLN 40 2HG GLN 40 9.508 4.770 8.410 313 2HG GLN 40 1HG GLN 40 10.907 4.319 9.379 314 1HE2 GLN 40 1HE2 GLN 40 12.314 4.398 6.454 315 2HE2 GLN 40 2HE2 GLN 40 12.712 6.042 6.337 316 H SER 41 H SER 41 8.251 0.486 7.011 317 HA SER 41 HA SER 41 6.183 2.116 6.259 318 1HB SER 41 2HB SER 41 4.812 0.089 6.184 319 2HB SER 41 1HB SER 41 6.443 -0.270 5.637 320 HG SER 41 HG SER 41 6.804 -1.397 7.417 321 H ALA 42 H ALA 42 6.620 0.582 9.416 322 HA ALA 42 HA ALA 42 4.081 1.201 10.525 323 1HB ALA 42 1HB ALA 42 5.148 0.703 12.645 324 2HB ALA 42 2HB ALA 42 6.745 0.902 11.915 325 3HB ALA 42 3HB ALA 42 5.718 -0.456 11.440 326 H ASN 43 H ASN 43 7.168 2.798 10.367 327 HA ASN 43 HA ASN 43 6.643 4.938 12.118 328 1HB ASN 43 2HB ASN 43 8.689 4.091 10.184 329 2HB ASN 43 1HB ASN 43 8.593 5.834 10.452 330 1HD2 ASN 43 1HD2 ASN 43 8.364 2.898 12.557 331 2HD2 ASN 43 2HD2 ASN 43 9.439 3.484 13.733 332 H LEU 44 H LEU 44 6.251 4.417 8.724 333 HA LEU 44 HA LEU 44 5.649 7.101 7.962 334 1HB LEU 44 2HB LEU 44 5.151 4.443 6.582 335 2HB LEU 44 1HB LEU 44 5.180 6.041 5.808 336 HG LEU 44 HG LEU 44 7.482 5.028 7.463 337 1HD1 LEU 44 1HD1 LEU 44 6.827 4.434 4.652 338 2HD1 LEU 44 2HD1 LEU 44 7.683 3.474 5.862 339 3HD1 LEU 44 3HD1 LEU 44 8.505 4.805 5.052 340 1HD2 LEU 44 1HD2 LEU 44 7.055 7.265 5.546 341 2HD2 LEU 44 2HD2 LEU 44 8.652 6.767 6.106 342 3HD2 LEU 44 3HD2 LEU 44 7.446 7.346 7.261 343 H LEU 45 H LEU 45 3.993 4.246 8.808 344 HA LEU 45 HA LEU 45 1.318 5.142 8.397 345 1HB LEU 45 2HB LEU 45 1.612 2.797 8.642 346 2HB LEU 45 1HB LEU 45 2.588 2.986 10.093 347 HG LEU 45 HG LEU 45 0.614 3.785 11.332 348 1HD1 LEU 45 1HD1 LEU 45 -0.715 4.885 9.717 349 2HD1 LEU 45 2HD1 LEU 45 -1.641 3.442 10.119 350 3HD1 LEU 45 3HD1 LEU 45 -0.701 3.498 8.630 351 1HD2 LEU 45 1HD2 LEU 45 -0.643 1.652 11.321 352 2HD2 LEU 45 2HD2 LEU 45 1.101 1.388 11.286 353 3HD2 LEU 45 3HD2 LEU 45 0.153 1.202 9.811 354 H ALA 46 H ALA 46 3.665 5.269 10.946 355 HA ALA 46 HA ALA 46 2.091 6.381 12.995 356 1HB ALA 46 1HB ALA 46 5.001 7.013 12.681 357 2HB ALA 46 2HB ALA 46 4.511 5.359 13.051 358 3HB ALA 46 3HB ALA 46 4.101 6.666 14.159 359 H GLU 47 H GLU 47 4.215 7.705 10.569 360 HA GLU 47 HA GLU 47 4.006 10.424 11.206 361 1HB GLU 47 2HB GLU 47 4.688 8.806 8.789 362 2HB GLU 47 1HB GLU 47 4.553 10.558 8.653 363 1HG GLU 47 2HG GLU 47 6.430 8.983 10.418 364 2HG GLU 47 1HG GLU 47 6.852 9.968 9.022 365 H ALA 48 H ALA 48 2.182 8.247 9.187 366 HA ALA 48 HA ALA 48 0.541 10.178 7.959 367 1HB ALA 48 1HB ALA 48 1.038 7.472 7.759 368 2HB ALA 48 2HB ALA 48 -0.164 8.365 6.840 369 3HB ALA 48 3HB ALA 48 -0.618 7.536 8.327 370 H LYS 49 H LYS 49 0.124 8.023 10.741 371 HA LYS 49 HA LYS 49 -2.476 8.856 11.454 372 1HB LYS 49 2HB LYS 49 -0.202 7.771 13.145 373 2HB LYS 49 1HB LYS 49 -1.840 8.017 13.746 374 1HG LYS 49 2HG LYS 49 -1.371 6.380 11.258 375 2HG LYS 49 1HG LYS 49 -1.170 5.651 12.848 376 1HD LYS 49 2HD LYS 49 -3.463 6.175 13.442 377 2HD LYS 49 1HD LYS 49 -3.679 7.111 11.965 378 1HE LYS 49 2HE LYS 49 -4.684 4.869 11.736 379 2HE LYS 49 1HE LYS 49 -3.340 5.072 10.613 380 1HZ LYS 49 1HZ LYS 49 -1.911 3.872 12.101 381 2HZ LYS 49 2HZ LYS 49 -3.294 2.932 11.798 382 3HZ LYS 49 3HZ LYS 49 -3.133 3.764 13.272 383 H LYS 50 H LYS 50 0.726 10.188 11.932 384 HA LYS 50 HA LYS 50 -0.067 12.138 13.849 385 1HB LYS 50 2HB LYS 50 2.257 11.229 13.620 386 2HB LYS 50 1HB LYS 50 2.383 12.086 12.089 387 1HG LYS 50 2HG LYS 50 2.025 14.234 13.233 388 2HG LYS 50 1HG LYS 50 1.834 13.391 14.773 389 1HD LYS 50 2HD LYS 50 4.096 14.073 14.794 390 2HD LYS 50 1HD LYS 50 4.170 12.386 14.287 391 1HE LYS 50 2HE LYS 50 4.175 13.191 11.891 392 2HE LYS 50 1HE LYS 50 4.337 14.835 12.507 393 1HZ LYS 50 1HZ LYS 50 6.225 12.577 12.850 394 2HZ LYS 50 2HZ LYS 50 6.334 14.018 13.745 395 3HZ LYS 50 3HZ LYS 50 6.501 14.048 12.053 396 H LEU 51 H LEU 51 0.468 12.055 10.395 397 HA LEU 51 HA LEU 51 0.012 14.820 9.977 398 1HB LEU 51 2HB LEU 51 0.355 12.429 8.254 399 2HB LEU 51 1HB LEU 51 -0.553 13.767 7.558 400 HG LEU 51 HG LEU 51 1.758 14.066 6.981 401 1HD1 LEU 51 1HD1 LEU 51 1.924 16.286 7.498 402 2HD1 LEU 51 2HD1 LEU 51 1.582 16.028 9.209 403 3HD1 LEU 51 3HD1 LEU 51 0.266 16.015 8.035 404 1HD2 LEU 51 1HD2 LEU 51 3.030 12.825 8.506 405 2HD2 LEU 51 2HD2 LEU 51 2.210 13.518 9.904 406 3HD2 LEU 51 3HD2 LEU 51 3.381 14.477 9.001 407 H ASN 52 H ASN 52 -1.953 11.934 9.766 408 HA ASN 52 HA ASN 52 -4.334 13.119 8.855 409 1HB ASN 52 2HB ASN 52 -4.212 10.781 8.726 410 2HB ASN 52 1HB ASN 52 -3.706 10.610 10.400 411 1HD2 ASN 52 1HD2 ASN 52 -5.365 10.363 11.959 412 2HD2 ASN 52 2HD2 ASN 52 -7.019 10.453 11.589 413 H ASP 53 H ASP 53 -3.039 12.383 12.063 414 HA ASP 53 HA ASP 53 -5.225 13.350 13.534 415 1HB ASP 53 2HB ASP 53 -3.629 11.948 14.632 416 2HB ASP 53 1HB ASP 53 -2.318 13.071 14.281 417 H ALA 54 H ALA 54 -2.282 14.879 12.364 418 HA ALA 54 HA ALA 54 -2.644 17.402 13.563 419 1HB ALA 54 1HB ALA 54 -1.140 16.473 11.117 420 2HB ALA 54 2HB ALA 54 -0.486 16.883 12.700 421 3HB ALA 54 3HB ALA 54 -1.118 18.153 11.654 422 H GLN 55 H GLN 55 -3.707 15.954 10.530 423 HA GLN 55 HA GLN 55 -5.036 18.395 9.634 424 1HB GLN 55 2HB GLN 55 -4.743 15.608 8.505 425 2HB GLN 55 1HB GLN 55 -5.715 16.864 7.725 426 1HG GLN 55 2HG GLN 55 -3.805 18.282 7.421 427 2HG GLN 55 1HG GLN 55 -2.808 17.280 8.476 428 1HE2 GLN 55 1HE2 GLN 55 -2.848 14.814 7.640 429 2HE2 GLN 55 2HE2 GLN 55 -2.545 14.644 5.979 430 H ALA 56 H ALA 56 -5.762 16.062 11.855 431 HA ALA 56 HA ALA 56 -8.505 15.508 11.200 432 1HB ALA 56 1HB ALA 56 -8.617 14.418 13.340 433 2HB ALA 56 2HB ALA 56 -7.184 15.267 13.915 434 3HB ALA 56 3HB ALA 56 -7.037 14.042 12.656 435 HA PRO 57 HA PRO 57 -10.749 19.068 12.354 436 1HB PRO 57 2HB PRO 57 -12.512 17.686 14.137 437 2HB PRO 57 1HB PRO 57 -12.787 18.131 12.448 438 1HG PRO 57 2HG PRO 57 -11.887 15.599 13.595 439 2HG PRO 57 1HG PRO 57 -12.844 15.911 12.140 440 1HD PRO 57 2HD PRO 57 -10.310 15.152 11.934 441 2HD PRO 57 1HD PRO 57 -10.956 16.420 10.863 442 H LYS 58 H LYS 58 -9.583 20.307 13.541 443 HA LYS 58 HA LYS 58 -9.627 20.096 16.466 444 1HB LYS 58 2HB LYS 58 -7.189 20.394 14.772 445 2HB LYS 58 1HB LYS 58 -7.207 20.890 16.455 446 1HG LYS 58 2HG LYS 58 -7.854 18.605 17.124 447 2HG LYS 58 1HG LYS 58 -7.856 18.102 15.436 448 1HD LYS 58 2HD LYS 58 -5.450 18.722 15.274 449 2HD LYS 58 1HD LYS 58 -5.462 19.124 16.992 450 1HE LYS 58 2HE LYS 58 -5.922 16.849 17.610 451 2HE LYS 58 1HE LYS 58 -6.258 16.396 15.939 452 1HZ LYS 58 1HZ LYS 58 -4.039 16.531 15.365 453 2HZ LYS 58 2HZ LYS 58 -3.969 15.856 16.922 454 3HZ LYS 58 3HZ LYS 58 -3.633 17.505 16.692 455 1H VAL 1 1HT VAL 1 -11.468 -7.122 6.087 456 2H VAL 1 2HT VAL 1 -11.758 -8.668 6.726 457 3H VAL 1 3HT VAL 1 -11.278 -7.400 7.749 458 HA VAL 1 HA VAL 1 -13.692 -7.978 7.844 459 HB VAL 1 HB VAL 1 -14.411 -5.562 7.723 460 1HG1 VAL 1 1HG1 VAL 1 -11.733 -6.023 9.078 461 2HG1 VAL 1 2HG1 VAL 1 -13.290 -6.545 9.725 462 3HG1 VAL 1 3HG1 VAL 1 -12.947 -4.826 9.531 463 1HG2 VAL 1 1HG2 VAL 1 -12.622 -3.883 7.242 464 2HG2 VAL 1 2HG2 VAL 1 -13.050 -4.827 5.819 465 3HG2 VAL 1 3HG2 VAL 1 -11.570 -5.188 6.703 466 H ASP 2 H ASP 2 -12.470 -6.637 4.812 467 HA ASP 2 HA ASP 2 -14.897 -6.466 3.392 468 1HB ASP 2 2HB ASP 2 -13.413 -6.593 1.368 469 2HB ASP 2 1HB ASP 2 -12.912 -5.386 2.547 470 H ASN 3 H ASN 3 -12.580 -9.074 3.788 471 HA ASN 3 HA ASN 3 -14.380 -11.201 3.565 472 1HB ASN 3 2HB ASN 3 -14.260 -10.294 1.099 473 2HB ASN 3 1HB ASN 3 -12.664 -11.034 1.087 474 1HD2 ASN 3 1HD2 ASN 3 -16.104 -11.834 1.792 475 2HD2 ASN 3 2HD2 ASN 3 -15.975 -13.457 1.311 476 H LYS 4 H LYS 4 -12.812 -13.283 2.799 477 HA LYS 4 HA LYS 4 -10.808 -13.344 4.808 478 1HB LYS 4 2HB LYS 4 -10.147 -15.532 3.831 479 2HB LYS 4 1HB LYS 4 -11.871 -15.424 4.165 480 1HG LYS 4 2HG LYS 4 -12.360 -15.815 2.007 481 2HG LYS 4 1HG LYS 4 -11.378 -14.453 1.506 482 1HD LYS 4 2HD LYS 4 -10.219 -17.175 2.163 483 2HD LYS 4 1HD LYS 4 -10.667 -16.685 0.533 484 1HE LYS 4 2HE LYS 4 -9.135 -14.577 1.129 485 2HE LYS 4 1HE LYS 4 -8.406 -15.726 2.247 486 1HZ LYS 4 1HZ LYS 4 -8.568 -17.201 0.039 487 2HZ LYS 4 2HZ LYS 4 -7.208 -16.268 0.445 488 3HZ LYS 4 3HZ LYS 4 -8.359 -15.668 -0.653 489 H PHE 5 H PHE 5 -10.899 -12.008 1.757 490 HA PHE 5 HA PHE 5 -8.144 -12.285 1.064 491 1HB PHE 5 2HB PHE 5 -10.460 -10.734 -0.066 492 2HB PHE 5 1HB PHE 5 -8.811 -10.472 -0.645 493 HD1 PHE 5 1HD PHE 5 -7.885 -11.922 -2.245 494 HD2 PHE 5 2HD PHE 5 -11.254 -13.181 0.099 495 HE1 PHE 5 1HE PHE 5 -7.993 -14.025 -3.547 496 HE2 PHE 5 2HE PHE 5 -11.378 -15.286 -1.220 497 HZ PHE 5 HZ PHE 5 -9.731 -15.707 -3.027 498 H ASN 6 H ASN 6 -9.626 -10.478 3.452 499 HA ASN 6 HA ASN 6 -8.376 -7.947 3.158 500 1HB ASN 6 2HB ASN 6 -10.113 -8.644 4.932 501 2HB ASN 6 1HB ASN 6 -8.757 -9.339 5.819 502 1HD2 ASN 6 1HD2 ASN 6 -6.730 -7.486 5.537 503 2HD2 ASN 6 2HD2 ASN 6 -7.212 -5.974 6.136 504 H LYS 7 H LYS 7 -7.338 -10.980 4.641 505 HA LYS 7 HA LYS 7 -4.735 -10.190 5.442 506 1HB LYS 7 2HB LYS 7 -5.772 -12.242 6.273 507 2HB LYS 7 1HB LYS 7 -5.872 -12.891 4.638 508 1HG LYS 7 2HG LYS 7 -3.369 -12.818 4.502 509 2HG LYS 7 1HG LYS 7 -3.330 -12.296 6.189 510 1HD LYS 7 2HD LYS 7 -4.435 -14.363 6.893 511 2HD LYS 7 1HD LYS 7 -4.610 -14.871 5.214 512 1HE LYS 7 2HE LYS 7 -2.695 -16.041 5.871 513 2HE LYS 7 1HE LYS 7 -1.998 -14.600 5.134 514 1HZ LYS 7 1HZ LYS 7 -2.118 -15.387 7.940 515 2HZ LYS 7 2HZ LYS 7 -2.303 -13.732 7.607 516 3HZ LYS 7 3HZ LYS 7 -0.903 -14.552 7.099 517 H GLU 8 H GLU 8 -6.022 -11.719 2.535 518 HA GLU 8 HA GLU 8 -3.600 -12.010 1.109 519 1HB GLU 8 2HB GLU 8 -6.452 -11.704 0.075 520 2HB GLU 8 1HB GLU 8 -5.090 -12.328 -0.855 521 1HG GLU 8 2HG GLU 8 -6.354 -13.573 1.608 522 2HG GLU 8 1HG GLU 8 -6.374 -14.216 -0.035 523 H ARG 9 H ARG 9 -5.911 -9.400 1.386 524 HA ARG 9 HA ARG 9 -5.075 -7.812 -0.789 525 1HB ARG 9 2HB ARG 9 -7.250 -7.611 0.421 526 2HB ARG 9 1HB ARG 9 -6.385 -6.958 1.810 527 1HG ARG 9 2HG ARG 9 -5.430 -5.360 -0.201 528 2HG ARG 9 1HG ARG 9 -7.068 -5.683 -0.764 529 1HD ARG 9 2HD ARG 9 -6.348 -4.655 1.991 530 2HD ARG 9 1HD ARG 9 -6.964 -3.677 0.674 531 HE ARG 9 HE ARG 9 -8.474 -5.621 2.247 532 1HH1 ARG 9 1HH1 ARG 9 -8.459 -4.336 -0.899 533 2HH1 ARG 9 2HH1 ARG 9 -10.117 -3.840 -0.881 534 1HH2 ARG 9 1HH2 ARG 9 -10.584 -4.591 2.463 535 2HH2 ARG 9 2HH2 ARG 9 -11.316 -3.983 1.016 536 H VAL 10 H VAL 10 -4.285 -7.866 2.676 537 HA VAL 10 HA VAL 10 -2.639 -5.606 2.798 538 HB VAL 10 HB VAL 10 -2.252 -8.121 4.402 539 1HG1 VAL 10 1HG1 VAL 10 -1.515 -5.244 4.782 540 2HG1 VAL 10 2HG1 VAL 10 -0.483 -6.667 4.814 541 3HG1 VAL 10 3HG1 VAL 10 -1.606 -6.364 6.143 542 1HG2 VAL 10 1HG2 VAL 10 -3.816 -6.255 5.863 543 2HG2 VAL 10 2HG2 VAL 10 -4.303 -7.846 5.278 544 3HG2 VAL 10 3HG2 VAL 10 -4.582 -6.426 4.276 545 H ILE 11 H ILE 11 -1.934 -8.943 1.913 546 HA ILE 11 HA ILE 11 0.893 -8.588 1.717 547 HB ILE 11 HB ILE 11 -0.836 -10.699 0.397 548 1HG1 ILE 11 2HG1 ILE 11 -0.028 -10.187 3.191 549 2HG1 ILE 11 1HG1 ILE 11 -1.272 -11.263 2.565 550 1HG2 ILE 11 1HG2 ILE 11 1.486 -10.439 -0.515 551 2HG2 ILE 11 2HG2 ILE 11 1.254 -11.981 0.301 552 3HG2 ILE 11 3HG2 ILE 11 2.123 -10.678 1.113 553 1HD1 ILE 11 1HD1 ILE 11 1.678 -11.845 2.935 554 2HD1 ILE 11 2HD1 ILE 11 0.656 -12.847 1.898 555 3HD1 ILE 11 3HD1 ILE 11 0.297 -12.709 3.615 556 H ALA 12 H ALA 12 -1.816 -8.283 -0.595 557 HA ALA 12 HA ALA 12 -0.217 -7.957 -2.937 558 1HB ALA 12 1HB ALA 12 -2.988 -7.042 -2.158 559 2HB ALA 12 2HB ALA 12 -2.558 -8.364 -3.237 560 3HB ALA 12 3HB ALA 12 -2.282 -6.694 -3.734 561 H ILE 13 H ILE 13 -1.664 -5.682 -0.648 562 HA ILE 13 HA ILE 13 -0.648 -3.318 -1.792 563 HB ILE 13 HB ILE 13 -1.130 -3.940 1.152 564 1HG1 ILE 13 2HG1 ILE 13 -3.039 -2.594 -0.727 565 2HG1 ILE 13 1HG1 ILE 13 -3.023 -4.346 -0.587 566 1HG2 ILE 13 1HG2 ILE 13 -1.058 -1.347 -0.414 567 2HG2 ILE 13 2HG2 ILE 13 0.017 -1.811 0.892 568 3HG2 ILE 13 3HG2 ILE 13 -1.687 -1.493 1.228 569 1HD1 ILE 13 1HD1 ILE 13 -3.464 -2.362 1.631 570 2HD1 ILE 13 2HD1 ILE 13 -3.348 -4.098 1.867 571 3HD1 ILE 13 3HD1 ILE 13 -4.684 -3.425 0.937 572 H GLY 14 H GLY 14 0.659 -5.724 0.381 573 1HA GLY 14 2HA GLY 14 3.104 -4.418 1.006 574 2HA GLY 14 1HA GLY 14 2.768 -6.136 1.153 575 H GLU 15 H GLU 15 2.158 -6.672 -1.584 576 HA GLU 15 HA GLU 15 4.808 -7.042 -2.577 577 1HB GLU 15 2HB GLU 15 2.569 -8.429 -2.916 578 2HB GLU 15 1HB GLU 15 2.404 -7.384 -4.314 579 1HG GLU 15 2HG GLU 15 4.836 -9.088 -3.708 580 2HG GLU 15 1HG GLU 15 3.578 -9.505 -4.868 581 H ILE 16 H ILE 16 2.052 -4.994 -3.503 582 HA ILE 16 HA ILE 16 3.180 -3.862 -5.819 583 HB ILE 16 HB ILE 16 1.532 -2.189 -3.946 584 1HG1 ILE 16 2HG1 ILE 16 0.889 -4.865 -4.858 585 2HG1 ILE 16 1HG1 ILE 16 -0.002 -3.809 -3.773 586 1HG2 ILE 16 1HG2 ILE 16 2.258 -1.220 -6.091 587 2HG2 ILE 16 2HG2 ILE 16 0.514 -1.427 -6.067 588 3HG2 ILE 16 3HG2 ILE 16 1.522 -2.558 -6.959 589 1HD1 ILE 16 1HD1 ILE 16 -1.359 -4.417 -5.630 590 2HD1 ILE 16 2HD1 ILE 16 -0.126 -3.856 -6.763 591 3HD1 ILE 16 3HD1 ILE 16 -0.963 -2.702 -5.718 592 H MET 17 H MET 17 3.156 -2.653 -2.530 593 HA MET 17 HA MET 17 4.807 -0.399 -2.824 594 1HB MET 17 2HB MET 17 4.451 -2.199 -0.441 595 2HB MET 17 1HB MET 17 5.060 -0.537 -0.427 596 1HG MET 17 2HG MET 17 2.355 -1.249 -1.580 597 2HG MET 17 1HG MET 17 2.565 -0.800 0.108 598 1HE MET 17 1HE MET 17 4.838 1.992 -0.313 599 2HE MET 17 2HE MET 17 4.044 0.802 0.735 600 3HE MET 17 3HE MET 17 3.329 2.409 0.509 601 H ARG 18 H ARG 18 5.556 -3.815 -2.437 602 HA ARG 18 HA ARG 18 8.353 -3.514 -1.988 603 1HB ARG 18 2HB ARG 18 6.497 -5.728 -2.526 604 2HB ARG 18 1HB ARG 18 8.197 -6.013 -2.853 605 1HG ARG 18 2HG ARG 18 8.161 -4.695 -0.376 606 2HG ARG 18 1HG ARG 18 6.821 -5.826 -0.293 607 1HD ARG 18 2HD ARG 18 9.580 -6.568 -1.214 608 2HD ARG 18 1HD ARG 18 9.022 -6.760 0.440 609 HE ARG 18 HE ARG 18 7.354 -8.028 -1.579 610 1HH1 ARG 18 1HH2 ARG 18 10.374 -8.992 -1.213 611 2HH1 ARG 18 2HH2 ARG 18 10.090 -10.417 -0.271 612 1HH2 ARG 18 1HH1 ARG 18 6.805 -9.602 0.453 613 2HH2 ARG 18 2HH1 ARG 18 8.071 -10.761 0.671 614 H LEU 19 H LEU 19 6.370 -4.021 -4.914 615 HA LEU 19 HA LEU 19 8.351 -4.693 -6.748 616 1HB LEU 19 2HB LEU 19 5.975 -2.893 -7.179 617 2HB LEU 19 1HB LEU 19 6.967 -3.525 -8.458 618 HG LEU 19 HG LEU 19 5.523 -5.297 -6.487 619 1HD1 LEU 19 1HD1 LEU 19 3.822 -5.555 -8.266 620 2HD1 LEU 19 2HD1 LEU 19 4.653 -4.316 -9.217 621 3HD1 LEU 19 3HD1 LEU 19 3.903 -3.902 -7.675 622 1HD2 LEU 19 1HD2 LEU 19 7.173 -6.560 -7.620 623 2HD2 LEU 19 2HD2 LEU 19 6.905 -5.695 -9.127 624 3HD2 LEU 19 3HD2 LEU 19 5.701 -6.850 -8.558 625 HA PRO 20 HA PRO 20 10.783 -0.960 -6.320 626 1HB PRO 20 2HB PRO 20 12.781 -2.146 -8.021 627 2HB PRO 20 1HB PRO 20 12.821 -1.899 -6.273 628 1HG PRO 20 2HG PRO 20 12.700 -4.329 -7.527 629 2HG PRO 20 1HG PRO 20 12.213 -4.019 -5.853 630 1HD PRO 20 2HD PRO 20 10.517 -4.332 -8.284 631 2HD PRO 20 1HD PRO 20 10.202 -4.813 -6.602 632 H ASN 21 H ASN 21 9.270 -2.037 -9.184 633 HA ASN 21 HA ASN 21 10.474 0.175 -10.742 634 1HB ASN 21 2HB ASN 21 8.871 -2.159 -11.769 635 2HB ASN 21 1HB ASN 21 9.696 -0.949 -12.734 636 1HD2 ASN 21 1HD2 ASN 21 10.122 -3.985 -12.420 637 2HD2 ASN 21 2HD2 ASN 21 11.782 -4.126 -12.090 638 H LEU 22 H LEU 22 7.605 -0.664 -9.050 639 HA LEU 22 HA LEU 22 5.775 0.787 -10.733 640 1HB LEU 22 2HB LEU 22 5.521 -0.044 -7.845 641 2HB LEU 22 1HB LEU 22 4.245 0.734 -8.752 642 HG LEU 22 HG LEU 22 5.437 -2.002 -9.147 643 1HD1 LEU 22 1HD1 LEU 22 2.970 -2.581 -9.105 644 2HD1 LEU 22 2HD1 LEU 22 2.652 -0.899 -8.688 645 3HD1 LEU 22 3HD1 LEU 22 3.592 -1.912 -7.596 646 1HD2 LEU 22 1HD2 LEU 22 5.318 -1.402 -11.364 647 2HD2 LEU 22 2HD2 LEU 22 4.047 -0.205 -11.061 648 3HD2 LEU 22 3HD2 LEU 22 3.649 -1.905 -11.094 649 H ASN 23 H ASN 23 4.675 2.683 -10.200 650 HA ASN 23 HA ASN 23 6.382 4.762 -9.031 651 1HB ASN 23 2HB ASN 23 5.529 5.688 -10.945 652 2HB ASN 23 1HB ASN 23 4.217 4.553 -11.037 653 1HD2 ASN 23 1HD2 ASN 23 2.567 6.055 -11.490 654 2HD2 ASN 23 2HD2 ASN 23 2.101 7.271 -10.406 655 H SER 24 H SER 24 5.513 6.155 -7.332 656 HA SER 24 HA SER 24 4.221 4.748 -5.250 657 1HB SER 24 2HB SER 24 5.674 6.769 -4.944 658 2HB SER 24 1HB SER 24 4.366 7.754 -5.589 659 HG SER 24 HG SER 24 3.063 6.701 -3.879 660 H LEU 25 H LEU 25 3.067 7.067 -7.628 661 HA LEU 25 HA LEU 25 0.356 7.091 -6.765 662 1HB LEU 25 2HB LEU 25 1.924 8.407 -8.780 663 2HB LEU 25 1HB LEU 25 0.458 7.785 -9.485 664 HG LEU 25 HG LEU 25 0.595 9.475 -7.024 665 1HD1 LEU 25 1HD1 LEU 25 -0.313 10.157 -9.833 666 2HD1 LEU 25 2HD1 LEU 25 1.162 10.746 -9.063 667 3HD1 LEU 25 3HD1 LEU 25 -0.414 11.231 -8.436 668 1HD2 LEU 25 1HD2 LEU 25 -1.982 9.503 -7.993 669 2HD2 LEU 25 2HD2 LEU 25 -1.404 8.495 -6.666 670 3HD2 LEU 25 3HD2 LEU 25 -1.460 7.846 -8.304 671 H GLN 26 H GLN 26 2.232 5.162 -9.060 672 HA GLN 26 HA GLN 26 0.035 3.893 -10.344 673 1HB GLN 26 2HB GLN 26 2.927 3.344 -10.048 674 2HB GLN 26 1HB GLN 26 1.920 1.943 -10.372 675 1HG GLN 26 2HG GLN 26 1.024 3.005 -12.387 676 2HG GLN 26 1HG GLN 26 1.953 4.467 -12.057 677 1HE2 GLN 26 1HE2 GLN 26 3.807 1.833 -11.067 678 2HE2 GLN 26 2HE2 GLN 26 4.728 1.639 -12.477 679 H VAL 27 H VAL 27 1.907 3.230 -7.480 680 HA VAL 27 HA VAL 27 0.744 0.758 -6.803 681 HB VAL 27 HB VAL 27 2.189 2.813 -5.132 682 1HG1 VAL 27 1HG1 VAL 27 1.316 1.655 -3.376 683 2HG1 VAL 27 2HG1 VAL 27 2.473 0.408 -3.833 684 3HG1 VAL 27 3HG1 VAL 27 0.803 0.306 -4.385 685 1HG2 VAL 27 1HG2 VAL 27 3.002 0.921 -7.101 686 2HG2 VAL 27 2HG2 VAL 27 3.528 0.296 -5.540 687 3HG2 VAL 27 3HG2 VAL 27 4.034 1.901 -6.059 688 H VAL 28 H VAL 28 -0.003 4.098 -5.989 689 HA VAL 28 HA VAL 28 -2.118 3.582 -4.199 690 HB VAL 28 HB VAL 28 -1.705 5.909 -6.105 691 1HG1 VAL 28 1HG1 VAL 28 -3.993 5.245 -4.715 692 2HG1 VAL 28 2HG1 VAL 28 -3.573 6.864 -5.263 693 3HG1 VAL 28 3HG1 VAL 28 -3.190 6.362 -3.616 694 1HG2 VAL 28 1HG2 VAL 28 -0.140 5.157 -3.936 695 2HG2 VAL 28 2HG2 VAL 28 -1.258 6.319 -3.227 696 3HG2 VAL 28 3HG2 VAL 28 -0.249 6.787 -4.596 697 H ALA 29 H ALA 29 -1.848 3.686 -7.695 698 HA ALA 29 HA ALA 29 -4.555 3.684 -8.438 699 1HB ALA 29 1HB ALA 29 -2.112 3.625 -9.746 700 2HB ALA 29 2HB ALA 29 -3.685 3.461 -10.535 701 3HB ALA 29 3HB ALA 29 -2.762 2.019 -10.096 702 H PHE 30 H PHE 30 -2.265 1.097 -7.739 703 HA PHE 30 HA PHE 30 -4.116 -1.006 -8.141 704 1HB PHE 30 2HB PHE 30 -1.379 -0.882 -6.845 705 2HB PHE 30 1HB PHE 30 -2.267 -2.369 -7.158 706 HD1 PHE 30 1HD PHE 30 0.311 -0.439 -8.429 707 HD2 PHE 30 2HD PHE 30 -3.352 -2.299 -9.804 708 HE1 PHE 30 1HE PHE 30 1.109 -0.353 -10.729 709 HE2 PHE 30 2HE PHE 30 -2.499 -2.188 -12.101 710 HZ PHE 30 HZ PHE 30 -0.281 -1.232 -12.579 711 H ILE 31 H ILE 31 -2.846 0.674 -5.243 712 HA ILE 31 HA ILE 31 -4.063 -0.957 -3.300 713 HB ILE 31 HB ILE 31 -3.401 1.997 -3.209 714 1HG1 ILE 31 2HG1 ILE 31 -1.903 -0.314 -1.951 715 2HG1 ILE 31 1HG1 ILE 31 -1.530 0.250 -3.572 716 1HG2 ILE 31 1HG2 ILE 31 -5.014 1.528 -1.467 717 2HG2 ILE 31 2HG2 ILE 31 -3.424 1.585 -0.705 718 3HG2 ILE 31 3HG2 ILE 31 -4.187 0.033 -1.041 719 1HD1 ILE 31 1HD1 ILE 31 -0.073 1.336 -1.877 720 2HD1 ILE 31 2HD1 ILE 31 -1.514 1.975 -1.076 721 3HD1 ILE 31 3HD1 ILE 31 -1.098 2.507 -2.710 722 H ASN 32 H ASN 32 -5.163 2.001 -4.883 723 HA ASN 32 HA ASN 32 -7.673 2.226 -3.643 724 1HB ASN 32 2HB ASN 32 -6.414 3.902 -5.153 725 2HB ASN 32 1HB ASN 32 -7.123 3.026 -6.502 726 1HD2 ASN 32 1HD2 ASN 32 -7.841 5.651 -6.266 727 2HD2 ASN 32 2HD2 ASN 32 -9.432 5.801 -5.692 728 H SER 33 H SER 33 -6.543 0.162 -6.285 729 HA SER 33 HA SER 33 -9.174 -0.520 -7.158 730 1HB SER 33 2HB SER 33 -6.427 -1.354 -7.857 731 2HB SER 33 1HB SER 33 -7.776 -2.388 -8.330 732 HG SER 33 HG SER 33 -8.709 -0.424 -9.228 733 H LEU 34 H LEU 34 -6.890 -1.728 -4.774 734 HA LEU 34 HA LEU 34 -8.122 -4.285 -4.415 735 1HB LEU 34 2HB LEU 34 -6.957 -2.803 -2.080 736 2HB LEU 34 1HB LEU 34 -6.887 -4.514 -2.443 737 HG LEU 34 HG LEU 34 -5.368 -2.327 -3.864 738 1HD1 LEU 34 1HD1 LEU 34 -4.124 -4.657 -2.458 739 2HD1 LEU 34 2HD1 LEU 34 -4.682 -3.259 -1.531 740 3HD1 LEU 34 3HD1 LEU 34 -3.464 -3.046 -2.797 741 1HD2 LEU 34 1HD2 LEU 34 -5.815 -3.918 -5.499 742 2HD2 LEU 34 2HD2 LEU 34 -5.641 -5.250 -4.382 743 3HD2 LEU 34 3HD2 LEU 34 -4.225 -4.366 -4.908 744 H ARG 35 H ARG 35 -8.514 -1.061 -3.008 745 HA ARG 35 HA ARG 35 -10.657 -1.575 -1.229 746 1HB ARG 35 2HB ARG 35 -9.960 0.893 -2.847 747 2HB ARG 35 1HB ARG 35 -11.297 0.859 -1.703 748 1HG ARG 35 2HG ARG 35 -9.655 0.127 0.058 749 2HG ARG 35 1HG ARG 35 -8.365 0.417 -1.112 750 1HD ARG 35 2HD ARG 35 -8.654 2.705 -1.063 751 2HD ARG 35 1HD ARG 35 -10.336 2.596 -0.551 752 HE ARG 35 HE ARG 35 -8.263 1.708 1.359 753 1HH1 ARG 35 1HH1 ARG 35 -8.096 4.673 1.159 754 2HH1 ARG 35 2HH1 ARG 35 -9.271 5.208 2.311 755 1HH2 ARG 35 1HH2 ARG 35 -10.882 2.151 2.487 756 2HH2 ARG 35 2HH2 ARG 35 -10.844 3.784 3.063 757 H ASP 36 H ASP 36 -10.582 -0.800 -4.672 758 HA ASP 36 HA ASP 36 -13.385 -0.714 -5.111 759 1HB ASP 36 2HB ASP 36 -11.693 0.252 -6.659 760 2HB ASP 36 1HB ASP 36 -11.160 -1.375 -7.069 761 H ASP 37 H ASP 37 -10.985 -3.281 -5.159 762 HA ASP 37 HA ASP 37 -13.062 -5.319 -5.024 763 1HB ASP 37 2HB ASP 37 -11.506 -4.772 -7.471 764 2HB ASP 37 1HB ASP 37 -11.508 -6.453 -6.967 765 HA PRO 38 HA PRO 38 -9.489 -6.449 -2.474 766 1HB PRO 38 2HB PRO 38 -11.346 -7.902 -0.836 767 2HB PRO 38 1HB PRO 38 -10.446 -6.443 -0.437 768 1HG PRO 38 2HG PRO 38 -13.187 -6.642 -0.811 769 2HG PRO 38 1HG PRO 38 -12.243 -5.149 -0.757 770 1HD PRO 38 2HD PRO 38 -13.422 -6.526 -3.082 771 2HD PRO 38 1HD PRO 38 -12.914 -4.833 -2.907 772 H SER 39 H SER 39 -12.092 -8.305 -3.868 773 HA SER 39 HA SER 39 -11.053 -10.918 -3.434 774 1HB SER 39 2HB SER 39 -12.873 -9.943 -5.656 775 2HB SER 39 1HB SER 39 -12.647 -11.615 -5.149 776 HG SER 39 HG SER 39 -13.533 -9.537 -3.429 777 H GLN 40 H GLN 40 -10.756 -8.501 -5.971 778 HA GLN 40 HA GLN 40 -8.802 -10.151 -7.362 779 1HB GLN 40 2HB GLN 40 -9.481 -7.611 -8.625 780 2HB GLN 40 1HB GLN 40 -9.418 -9.217 -9.295 781 1HG GLN 40 2HG GLN 40 -11.624 -9.759 -8.606 782 2HG GLN 40 1HG GLN 40 -11.709 -8.384 -7.514 783 1HE2 GLN 40 1HE2 GLN 40 -10.836 -6.283 -9.107 784 2HE2 GLN 40 2HE2 GLN 40 -11.884 -6.083 -10.429 785 H SER 41 H SER 41 -8.395 -8.581 -4.779 786 HA SER 41 HA SER 41 -6.807 -6.338 -5.275 787 1HB SER 41 2HB SER 41 -7.472 -6.912 -2.999 788 2HB SER 41 1HB SER 41 -6.675 -8.479 -3.109 789 HG SER 41 HG SER 41 -4.690 -7.305 -3.326 790 H ALA 42 H ALA 42 -6.224 -9.712 -5.458 791 HA ALA 42 HA ALA 42 -3.390 -9.695 -5.820 792 1HB ALA 42 1HB ALA 42 -3.648 -12.022 -6.226 793 2HB ALA 42 2HB ALA 42 -5.336 -11.820 -6.706 794 3HB ALA 42 3HB ALA 42 -4.866 -11.613 -5.014 795 H ASN 43 H ASN 43 -6.180 -9.330 -7.856 796 HA ASN 43 HA ASN 43 -5.093 -10.016 -10.362 797 1HB ASN 43 2HB ASN 43 -7.495 -9.804 -9.617 798 2HB ASN 43 1HB ASN 43 -7.291 -8.075 -9.914 799 1HD2 ASN 43 1HD2 ASN 43 -6.353 -7.567 -12.207 800 2HD2 ASN 43 2HD2 ASN 43 -6.921 -8.525 -13.488 801 H LEU 44 H LEU 44 -5.796 -6.840 -8.924 802 HA LEU 44 HA LEU 44 -4.425 -5.572 -11.042 803 1HB LEU 44 2HB LEU 44 -4.994 -3.466 -10.079 804 2HB LEU 44 1HB LEU 44 -6.390 -4.513 -10.004 805 HG LEU 44 HG LEU 44 -6.004 -3.124 -8.013 806 1HD1 LEU 44 1HD1 LEU 44 -7.052 -4.607 -6.736 807 2HD1 LEU 44 2HD1 LEU 44 -5.843 -5.872 -7.032 808 3HD1 LEU 44 3HD1 LEU 44 -7.085 -5.542 -8.231 809 1HD2 LEU 44 1HD2 LEU 44 -3.434 -3.729 -8.139 810 2HD2 LEU 44 2HD2 LEU 44 -3.967 -4.965 -7.000 811 3HD2 LEU 44 3HD2 LEU 44 -4.235 -3.264 -6.661 812 H LEU 45 H LEU 45 -3.674 -6.890 -7.990 813 HA LEU 45 HA LEU 45 -1.155 -5.624 -7.550 814 1HB LEU 45 2HB LEU 45 -1.785 -6.875 -5.683 815 2HB LEU 45 1HB LEU 45 -2.492 -8.150 -6.659 816 HG LEU 45 HG LEU 45 -0.201 -8.865 -7.338 817 1HD1 LEU 45 1HD1 LEU 45 1.733 -7.952 -6.214 818 2HD1 LEU 45 2HD1 LEU 45 0.715 -6.900 -5.233 819 3HD1 LEU 45 3HD1 LEU 45 0.853 -6.625 -6.967 820 1HD2 LEU 45 1HD2 LEU 45 -1.400 -9.108 -4.716 821 2HD2 LEU 45 2HD2 LEU 45 0.355 -9.198 -4.601 822 3HD2 LEU 45 3HD2 LEU 45 -0.518 -10.307 -5.655 823 H ALA 46 H ALA 46 -2.499 -8.219 -9.381 824 HA ALA 46 HA ALA 46 -0.126 -9.357 -10.460 825 1HB ALA 46 1HB ALA 46 -1.628 -10.789 -11.374 826 2HB ALA 46 2HB ALA 46 -2.366 -9.483 -12.300 827 3HB ALA 46 3HB ALA 46 -2.921 -9.820 -10.662 828 H GLU 47 H GLU 47 -2.324 -6.802 -11.386 829 HA GLU 47 HA GLU 47 -1.160 -6.061 -13.848 830 1HB GLU 47 2HB GLU 47 -2.805 -4.458 -11.867 831 2HB GLU 47 1HB GLU 47 -2.330 -3.875 -13.451 832 1HG GLU 47 2HG GLU 47 -4.014 -6.317 -12.891 833 2HG GLU 47 1HG GLU 47 -4.615 -4.752 -13.422 834 H ALA 48 H ALA 48 -0.488 -5.348 -10.485 835 HA ALA 48 HA ALA 48 1.143 -3.057 -10.922 836 1HB ALA 48 1HB ALA 48 0.764 -2.941 -8.732 837 2HB ALA 48 2HB ALA 48 1.734 -4.388 -8.486 838 3HB ALA 48 3HB ALA 48 -0.001 -4.525 -8.778 839 H LYS 49 H LYS 49 1.779 -6.420 -10.062 840 HA LYS 49 HA LYS 49 4.605 -6.123 -10.157 841 1HB LYS 49 2HB LYS 49 4.666 -8.559 -10.075 842 2HB LYS 49 1HB LYS 49 3.461 -7.929 -8.946 843 1HG LYS 49 2HG LYS 49 1.707 -8.332 -10.567 844 2HG LYS 49 1HG LYS 49 2.882 -8.979 -11.706 845 1HD LYS 49 2HD LYS 49 1.870 -10.872 -10.608 846 2HD LYS 49 1HD LYS 49 3.496 -10.702 -9.950 847 1HE LYS 49 2HE LYS 49 2.653 -10.480 -7.871 848 2HE LYS 49 1HE LYS 49 1.711 -9.082 -8.381 849 1HZ LYS 49 1HZ LYS 49 -0.125 -10.354 -8.809 850 2HZ LYS 49 2HZ LYS 49 0.535 -11.205 -7.495 851 3HZ LYS 49 3HZ LYS 49 0.766 -11.772 -9.080 852 H LYS 50 H LYS 50 2.115 -6.730 -12.489 853 HA LYS 50 HA LYS 50 3.764 -7.401 -14.715 854 1HB LYS 50 2HB LYS 50 1.311 -7.833 -14.545 855 2HB LYS 50 1HB LYS 50 1.057 -6.098 -14.681 856 1HG LYS 50 2HG LYS 50 2.077 -6.072 -16.893 857 2HG LYS 50 1HG LYS 50 2.514 -7.775 -16.746 858 1HD LYS 50 2HD LYS 50 0.529 -7.799 -18.042 859 2HD LYS 50 1HD LYS 50 -0.007 -8.210 -16.413 860 1HE LYS 50 2HE LYS 50 -0.645 -5.846 -16.031 861 2HE LYS 50 1HE LYS 50 -0.131 -5.449 -17.671 862 1HZ LYS 50 1HZ LYS 50 -2.158 -7.526 -17.087 863 2HZ LYS 50 2HZ LYS 50 -1.808 -6.798 -18.581 864 3HZ LYS 50 3HZ LYS 50 -2.568 -5.902 -17.352 865 H LEU 51 H LEU 51 2.449 -4.433 -13.327 866 HA LEU 51 HA LEU 51 3.375 -2.704 -15.407 867 1HB LEU 51 2HB LEU 51 2.010 -2.417 -12.851 868 2HB LEU 51 1HB LEU 51 3.256 -1.191 -13.050 869 HG LEU 51 HG LEU 51 1.016 -0.544 -13.965 870 1HD1 LEU 51 1HD1 LEU 51 3.561 -0.633 -15.557 871 2HD1 LEU 51 2HD1 LEU 51 2.749 0.746 -14.799 872 3HD1 LEU 51 3HD1 LEU 51 2.107 0.056 -16.293 873 1HD2 LEU 51 1HD2 LEU 51 1.287 -3.128 -15.233 874 2HD2 LEU 51 2HD2 LEU 51 1.179 -1.884 -16.481 875 3HD2 LEU 51 3HD2 LEU 51 -0.091 -2.025 -15.264 876 H ASN 52 H ASN 52 4.575 -3.802 -12.342 877 HA ASN 52 HA ASN 52 6.963 -2.272 -12.276 878 1HB ASN 52 2HB ASN 52 6.296 -3.369 -10.269 879 2HB ASN 52 1HB ASN 52 6.162 -4.924 -11.068 880 1HD2 ASN 52 1HD2 ASN 52 8.266 -5.819 -11.941 881 2HD2 ASN 52 2HD2 ASN 52 9.690 -5.506 -11.075 882 H ASP 53 H ASP 53 5.948 -5.341 -13.591 883 HA ASP 53 HA ASP 53 8.493 -6.123 -14.660 884 1HB ASP 53 2HB ASP 53 5.676 -6.897 -15.455 885 2HB ASP 53 1HB ASP 53 7.116 -7.616 -16.159 886 H ALA 54 H ALA 54 5.828 -4.167 -15.774 887 HA ALA 54 HA ALA 54 6.616 -3.850 -18.476 888 1HB ALA 54 1HB ALA 54 4.361 -3.340 -17.275 889 2HB ALA 54 2HB ALA 54 4.874 -2.322 -18.623 890 3HB ALA 54 3HB ALA 54 5.090 -1.764 -16.964 891 H GLN 55 H GLN 55 7.293 -2.052 -15.499 892 HA GLN 55 HA GLN 55 8.905 -0.070 -16.910 893 1HB GLN 55 2HB GLN 55 8.194 -0.460 -14.043 894 2HB GLN 55 1HB GLN 55 9.175 0.868 -14.627 895 1HG GLN 55 2HG GLN 55 7.388 1.880 -15.703 896 2HG GLN 55 1HG GLN 55 6.525 0.358 -15.921 897 1HE2 GLN 55 1HE2 GLN 55 6.116 -0.720 -13.558 898 2HE2 GLN 55 2HE2 GLN 55 5.386 0.344 -12.456 899 H ALA 56 H ALA 56 9.390 -3.147 -15.754 900 HA ALA 56 HA ALA 56 11.871 -2.967 -14.410 901 1HB ALA 56 1HB ALA 56 12.136 -5.363 -15.026 902 2HB ALA 56 2HB ALA 56 10.717 -5.223 -16.058 903 3HB ALA 56 3HB ALA 56 10.562 -5.009 -14.316 904 HA PRO 57 HA PRO 57 14.765 -2.391 -17.622 905 1HB PRO 57 2HB PRO 57 16.795 -4.050 -16.415 906 2HB PRO 57 1HB PRO 57 16.592 -2.300 -16.280 907 1HG PRO 57 2HG PRO 57 16.269 -4.061 -14.219 908 2HG PRO 57 1HG PRO 57 15.538 -2.451 -14.297 909 1HD PRO 57 2HD PRO 57 14.304 -5.112 -14.925 910 2HD PRO 57 1HD PRO 57 13.616 -3.721 -14.051 911 H LYS 58 H LYS 58 12.973 -4.443 -18.251 912 HA LYS 58 HA LYS 58 14.018 -6.898 -19.041 913 1HB LYS 58 2HB LYS 58 12.051 -5.617 -20.841 914 2HB LYS 58 1HB LYS 58 12.095 -7.253 -20.224 915 1HG LYS 58 2HG LYS 58 10.448 -6.580 -18.818 916 2HG LYS 58 1HG LYS 58 11.730 -5.786 -17.913 917 1HD LYS 58 2HD LYS 58 10.262 -4.003 -18.263 918 2HD LYS 58 1HD LYS 58 11.338 -3.826 -19.647 919 1HE LYS 58 2HE LYS 58 9.685 -5.295 -20.940 920 2HE LYS 58 1HE LYS 58 8.576 -5.061 -19.589 921 1HZ LYS 58 1HZ LYS 58 8.697 -2.693 -19.908 922 2HZ LYS 58 2HZ LYS 58 8.251 -3.434 -21.372 923 3HZ LYS 58 3HZ LYS 58 9.839 -2.874 -21.148 Start of MODEL 14 1 1H VAL 1 1HT VAL 1 3.468 -16.713 11.397 2 2H VAL 1 2HT VAL 1 4.722 -17.141 10.333 3 3H VAL 1 3HT VAL 1 3.185 -17.844 10.165 4 HA VAL 1 HA VAL 1 2.215 -15.812 9.468 5 HB VAL 1 HB VAL 1 3.658 -13.759 9.275 6 1HG1 VAL 1 1HG1 VAL 1 3.511 -13.159 11.621 7 2HG1 VAL 1 2HG1 VAL 1 3.496 -14.856 12.101 8 3HG1 VAL 1 3HG1 VAL 1 2.126 -14.175 11.221 9 1HG2 VAL 1 1HG2 VAL 1 5.596 -15.384 10.967 10 2HG2 VAL 1 2HG2 VAL 1 5.779 -13.689 10.520 11 3HG2 VAL 1 3HG2 VAL 1 5.854 -14.939 9.279 12 H ASP 2 H ASP 2 2.895 -14.531 7.391 13 HA ASP 2 HA ASP 2 4.791 -16.025 5.724 14 1HB ASP 2 2HB ASP 2 3.020 -16.082 3.885 15 2HB ASP 2 1HB ASP 2 2.805 -17.224 5.207 16 H ASN 3 H ASN 3 6.135 -14.450 5.135 17 HA ASN 3 HA ASN 3 6.950 -12.457 4.333 18 1HB ASN 3 2HB ASN 3 4.269 -12.272 2.919 19 2HB ASN 3 1HB ASN 3 5.765 -11.462 2.463 20 1HD2 ASN 3 1HD2 ASN 3 3.924 -13.871 1.363 21 2HD2 ASN 3 2HD2 ASN 3 5.106 -14.962 0.820 22 H LYS 4 H LYS 4 6.156 -12.212 6.846 23 HA LYS 4 HA LYS 4 4.102 -10.511 7.564 24 1HB LYS 4 2HB LYS 4 5.578 -11.803 9.115 25 2HB LYS 4 1HB LYS 4 6.834 -10.595 8.854 26 1HG LYS 4 2HG LYS 4 5.412 -8.843 9.771 27 2HG LYS 4 1HG LYS 4 4.052 -9.960 9.890 28 1HD LYS 4 2HD LYS 4 4.958 -9.894 12.084 29 2HD LYS 4 1HD LYS 4 5.572 -11.394 11.386 30 1HE LYS 4 2HE LYS 4 7.710 -10.356 10.889 31 2HE LYS 4 1HE LYS 4 7.106 -8.776 11.391 32 1HZ LYS 4 1HZ LYS 4 6.671 -9.856 13.614 33 2HZ LYS 4 2HZ LYS 4 8.302 -9.607 13.208 34 3HZ LYS 4 3HZ LYS 4 7.617 -11.156 13.074 35 H PHE 5 H PHE 5 7.425 -9.569 6.625 36 HA PHE 5 HA PHE 5 7.234 -6.821 7.075 37 1HB PHE 5 2HB PHE 5 9.074 -8.560 5.929 38 2HB PHE 5 1HB PHE 5 8.653 -7.458 4.633 39 HD1 PHE 5 1HD PHE 5 9.809 -7.598 8.161 40 HD2 PHE 5 2HD PHE 5 9.539 -5.232 4.556 41 HE1 PHE 5 1HE PHE 5 11.332 -5.921 9.152 42 HE2 PHE 5 2HE PHE 5 11.078 -3.565 5.575 43 HZ PHE 5 HZ PHE 5 11.965 -3.914 7.861 44 H ASN 6 H ASN 6 6.603 -8.683 4.116 45 HA ASN 6 HA ASN 6 5.732 -6.540 2.498 46 1HB ASN 6 2HB ASN 6 6.426 -8.758 1.675 47 2HB ASN 6 1HB ASN 6 4.994 -9.467 2.406 48 1HD2 ASN 6 1HD2 ASN 6 3.696 -10.021 0.635 49 2HD2 ASN 6 2HD2 ASN 6 3.285 -8.949 -0.623 50 H LYS 7 H LYS 7 4.072 -8.843 4.571 51 HA LYS 7 HA LYS 7 1.425 -8.104 4.045 52 1HB LYS 7 2HB LYS 7 2.396 -10.118 5.369 53 2HB LYS 7 1HB LYS 7 2.453 -9.017 6.740 54 1HG LYS 7 2HG LYS 7 0.076 -8.685 6.675 55 2HG LYS 7 1HG LYS 7 -0.053 -9.514 5.125 56 1HD LYS 7 2HD LYS 7 1.177 -11.051 7.362 57 2HD LYS 7 1HD LYS 7 -0.558 -10.754 7.459 58 1HE LYS 7 2HE LYS 7 -0.856 -11.714 5.205 59 2HE LYS 7 1HE LYS 7 0.882 -12.006 5.099 60 1HZ LYS 7 1HZ LYS 7 0.786 -13.557 6.838 61 2HZ LYS 7 2HZ LYS 7 -0.528 -13.937 5.832 62 3HZ LYS 7 3HZ LYS 7 -0.783 -13.099 7.289 63 H GLU 8 H GLU 8 3.858 -6.987 6.319 64 HA GLU 8 HA GLU 8 2.199 -5.056 7.574 65 1HB GLU 8 2HB GLU 8 5.165 -5.651 7.589 66 2HB GLU 8 1HB GLU 8 4.492 -4.237 8.436 67 1HG GLU 8 2HG GLU 8 3.691 -7.129 8.909 68 2HG GLU 8 1HG GLU 8 4.674 -6.145 9.985 69 H LEU 9 H LEU 9 4.674 -4.880 5.122 70 HA LEU 9 HA LEU 9 4.843 -2.068 4.752 71 1HB LEU 9 2HB LEU 9 6.496 -3.566 3.813 72 2HB LEU 9 1HB LEU 9 5.269 -4.427 2.887 73 HG LEU 9 HG LEU 9 4.792 -2.229 1.697 74 1HD1 LEU 9 1HD1 LEU 9 6.561 -1.150 3.627 75 2HD1 LEU 9 2HD1 LEU 9 5.885 -0.361 2.193 76 3HD1 LEU 9 3HD1 LEU 9 7.435 -1.146 2.089 77 1HD2 LEU 9 1HD2 LEU 9 7.459 -3.604 1.521 78 2HD2 LEU 9 2HD2 LEU 9 6.914 -2.386 0.351 79 3HD2 LEU 9 3HD2 LEU 9 6.004 -3.881 0.556 80 H GLY 10 H GLY 10 2.711 -4.545 3.449 81 1HA GLY 10 2HA GLY 10 1.311 -2.773 1.747 82 2HA GLY 10 1HA GLY 10 0.821 -4.387 2.222 83 H TRP 11 H TRP 11 0.898 -4.040 5.015 84 HA TRP 11 HA TRP 11 -1.639 -2.915 5.288 85 1HB TRP 11 2HB TRP 11 -0.418 -4.804 6.686 86 2HB TRP 11 1HB TRP 11 -0.208 -3.424 7.770 87 HD1 TRP 11 HD TRP 11 -2.005 -4.144 9.461 88 HE1 TRP 11 1HE TRP 11 -4.580 -4.261 9.435 89 HE3 TRP 11 3HE TRP 11 -2.925 -3.624 4.448 90 HZ2 TRP 11 2HZ TRP 11 -6.724 -4.089 7.570 91 HZ3 TRP 11 3HZ TRP 11 -5.184 -3.574 3.577 92 HH2 TRP 11 HH TRP 11 -7.127 -3.826 5.129 93 H ALA 12 H ALA 12 1.405 -1.761 6.561 94 HA ALA 12 HA ALA 12 0.255 0.409 7.840 95 1HB ALA 12 1HB ALA 12 2.873 -0.510 7.260 96 2HB ALA 12 2HB ALA 12 2.413 0.768 8.380 97 3HB ALA 12 3HB ALA 12 2.803 1.164 6.706 98 H THR 13 H THR 13 1.198 -0.136 4.484 99 HA THR 13 HA THR 13 0.841 2.405 3.340 100 HB THR 13 HB THR 13 0.517 -0.404 2.355 101 HG1 THR 13 1HG THR 13 2.441 1.581 2.362 102 1HG2 THR 13 1HG2 THR 13 0.573 0.669 0.049 103 2HG2 THR 13 2HG2 THR 13 0.107 2.172 0.847 104 3HG2 THR 13 3HG2 THR 13 -0.959 0.766 0.916 105 H TRP 14 H TRP 14 -1.483 -0.230 3.843 106 HA TRP 14 HA TRP 14 -3.767 1.013 2.724 107 1HB TRP 14 2HB TRP 14 -3.350 -1.419 3.395 108 2HB TRP 14 1HB TRP 14 -3.750 -0.925 5.018 109 HD1 TRP 14 HD TRP 14 -6.209 -0.771 5.649 110 HE1 TRP 14 1HE TRP 14 -8.406 -1.275 4.438 111 HE3 TRP 14 3HE TRP 14 -4.569 -0.847 0.792 112 HZ2 TRP 14 2HZ TRP 14 -9.338 -1.673 1.790 113 HZ3 TRP 14 3HZ TRP 14 -6.129 -1.289 -1.004 114 HH2 TRP 14 HH TRP 14 -8.488 -1.706 -0.528 115 H GLU 15 H GLU 15 -2.622 0.746 6.068 116 HA GLU 15 HA GLU 15 -4.793 2.028 7.294 117 1HB GLU 15 2HB GLU 15 -1.897 1.780 8.141 118 2HB GLU 15 1HB GLU 15 -3.205 2.324 9.195 119 1HG GLU 15 2HG GLU 15 -4.347 0.209 9.022 120 2HG GLU 15 1HG GLU 15 -3.293 -0.334 7.720 121 H ILE 16 H ILE 16 -1.825 3.276 5.864 122 HA ILE 16 HA ILE 16 -2.226 6.038 6.598 123 HB ILE 16 HB ILE 16 -0.620 4.740 4.344 124 1HG1 ILE 16 2HG1 ILE 16 0.426 5.898 6.921 125 2HG1 ILE 16 1HG1 ILE 16 0.026 4.210 6.769 126 1HG2 ILE 16 1HG2 ILE 16 -0.763 7.583 5.335 127 2HG2 ILE 16 2HG2 ILE 16 -0.887 6.991 3.684 128 3HG2 ILE 16 3HG2 ILE 16 0.668 6.965 4.513 129 1HD1 ILE 16 1HD1 ILE 16 1.743 5.304 4.604 130 2HD1 ILE 16 2HD1 ILE 16 1.858 3.770 5.476 131 3HD1 ILE 16 3HD1 ILE 16 2.489 5.242 6.208 132 H PHE 17 H PHE 17 -2.988 3.935 3.907 133 HA PHE 17 HA PHE 17 -4.042 5.781 2.042 134 1HB PHE 17 2HB PHE 17 -3.380 3.191 1.966 135 2HB PHE 17 1HB PHE 17 -5.092 2.989 2.246 136 HD1 PHE 17 1HD PHE 17 -6.704 3.502 0.536 137 HD2 PHE 17 2HD PHE 17 -2.532 4.323 -0.067 138 HE1 PHE 17 1HE PHE 17 -7.106 3.797 -1.889 139 HE2 PHE 17 2HE PHE 17 -2.931 4.608 -2.482 140 HZ PHE 17 HZ PHE 17 -5.221 4.340 -3.386 141 H ASN 18 H ASN 18 -5.492 3.891 4.642 142 HA ASN 18 HA ASN 18 -8.192 4.774 4.051 143 1HB ASN 18 2HB ASN 18 -7.016 2.952 6.154 144 2HB ASN 18 1HB ASN 18 -8.728 3.354 6.079 145 1HD2 ASN 18 1HD2 ASN 18 -6.364 2.549 3.455 146 2HD2 ASN 18 2HD2 ASN 18 -7.293 1.278 2.824 147 H LEU 19 H LEU 19 -5.747 6.424 5.526 148 HA LEU 19 HA LEU 19 -7.007 7.191 7.956 149 1HB LEU 19 2HB LEU 19 -4.680 8.146 6.414 150 2HB LEU 19 1HB LEU 19 -5.418 9.320 7.497 151 HG LEU 19 HG LEU 19 -4.555 6.529 8.334 152 1HD1 LEU 19 1HD1 LEU 19 -3.256 9.223 8.548 153 2HD1 LEU 19 2HD1 LEU 19 -2.612 7.761 7.818 154 3HD1 LEU 19 3HD1 LEU 19 -2.788 7.863 9.562 155 1HD2 LEU 19 1HD2 LEU 19 -6.242 8.437 9.590 156 2HD2 LEU 19 2HD2 LEU 19 -4.707 8.483 10.444 157 3HD2 LEU 19 3HD2 LEU 19 -5.585 6.961 10.283 158 HA PRO 20 HA PRO 20 -10.030 9.866 6.167 159 1HB PRO 20 2HB PRO 20 -10.557 11.072 8.740 160 2HB PRO 20 1HB PRO 20 -11.503 9.853 7.875 161 1HG PRO 20 2HG PRO 20 -10.148 9.415 10.199 162 2HG PRO 20 1HG PRO 20 -10.552 8.153 9.023 163 1HD PRO 20 2HD PRO 20 -7.961 9.583 9.431 164 2HD PRO 20 1HD PRO 20 -8.257 7.881 9.065 165 H ASN 21 H ASN 21 -7.025 11.182 6.900 166 HA ASN 21 HA ASN 21 -8.098 13.847 6.146 167 1HB ASN 21 2HB ASN 21 -6.304 13.472 8.536 168 2HB ASN 21 1HB ASN 21 -6.759 15.014 7.842 169 1HD2 ASN 21 1HD2 ASN 21 -7.667 12.726 10.182 170 2HD2 ASN 21 2HD2 ASN 21 -9.255 13.268 10.434 171 H LEU 22 H LEU 22 -5.778 11.530 5.560 172 HA LEU 22 HA LEU 22 -3.631 13.348 4.849 173 1HB LEU 22 2HB LEU 22 -4.010 10.417 4.221 174 2HB LEU 22 1HB LEU 22 -2.539 11.345 3.921 175 HG LEU 22 HG LEU 22 -3.827 10.996 6.640 176 1HD1 LEU 22 1HD1 LEU 22 -2.948 8.891 6.037 177 2HD1 LEU 22 2HD1 LEU 22 -1.709 9.646 7.034 178 3HD1 LEU 22 3HD1 LEU 22 -1.528 9.604 5.283 179 1HD2 LEU 22 1HD2 LEU 22 -1.665 12.679 5.589 180 2HD2 LEU 22 2HD2 LEU 22 -1.166 11.682 6.948 181 3HD2 LEU 22 3HD2 LEU 22 -2.530 12.794 7.127 182 H ASN 23 H ASN 23 -2.861 13.802 2.758 183 HA ASN 23 HA ASN 23 -4.993 13.692 0.716 184 1HB ASN 23 2HB ASN 23 -3.961 15.563 -0.350 185 2HB ASN 23 1HB ASN 23 -4.044 15.937 1.366 186 1HD2 ASN 23 1HD2 ASN 23 -2.141 17.033 -0.650 187 2HD2 ASN 23 2HD2 ASN 23 -0.592 16.640 -0.080 188 H GLY 24 H GLY 24 -4.222 13.407 -1.546 189 1HA GLY 24 2HA GLY 24 -3.149 10.923 -1.969 190 2HA GLY 24 1HA GLY 24 -3.135 12.200 -3.176 191 H VAL 25 H VAL 25 -1.367 13.975 -1.667 192 HA VAL 25 HA VAL 25 1.129 12.876 -2.547 193 HB VAL 25 HB VAL 25 0.482 15.419 -1.061 194 1HG1 VAL 25 1HG1 VAL 25 2.841 16.001 -2.011 195 2HG1 VAL 25 2HG1 VAL 25 3.063 14.253 -2.107 196 3HG1 VAL 25 3HG1 VAL 25 2.760 15.020 -0.547 197 1HG2 VAL 25 1HG2 VAL 25 0.928 14.611 -3.939 198 2HG2 VAL 25 2HG2 VAL 25 1.149 16.286 -3.419 199 3HG2 VAL 25 3HG2 VAL 25 -0.427 15.512 -3.254 200 H GLN 26 H GLN 26 -0.122 13.684 0.749 201 HA GLN 26 HA GLN 26 2.201 12.811 2.060 202 1HB GLN 26 2HB GLN 26 -0.578 13.382 2.870 203 2HB GLN 26 1HB GLN 26 0.362 12.358 3.948 204 1HG GLN 26 2HG GLN 26 1.816 14.030 4.524 205 2HG GLN 26 1HG GLN 26 1.794 14.743 2.906 206 1HE2 GLN 26 1HE2 GLN 26 -0.259 14.351 5.780 207 2HE2 GLN 26 2HE2 GLN 26 -1.058 15.835 5.608 208 H VAL 27 H VAL 27 -0.756 11.076 1.161 209 HA VAL 27 HA VAL 27 -0.036 8.609 2.358 210 HB VAL 27 HB VAL 27 -1.766 9.104 -0.086 211 1HG1 VAL 27 1HG1 VAL 27 -1.279 6.699 1.683 212 2HG1 VAL 27 2HG1 VAL 27 -1.180 6.795 -0.077 213 3HG1 VAL 27 3HG1 VAL 27 -2.750 6.863 0.720 214 1HG2 VAL 27 1HG2 VAL 27 -2.489 8.745 2.847 215 2HG2 VAL 27 2HG2 VAL 27 -3.635 8.943 1.522 216 3HG2 VAL 27 3HG2 VAL 27 -2.560 10.266 1.962 217 H LYS 28 H LYS 28 0.482 9.955 -0.887 218 HA LYS 28 HA LYS 28 1.852 7.740 -1.973 219 1HB LYS 28 2HB LYS 28 1.646 10.647 -2.696 220 2HB LYS 28 1HB LYS 28 2.904 9.668 -3.452 221 1HG LYS 28 2HG LYS 28 1.108 7.976 -4.026 222 2HG LYS 28 1HG LYS 28 -0.085 9.165 -3.521 223 1HD LYS 28 2HD LYS 28 2.037 9.752 -5.594 224 2HD LYS 28 1HD LYS 28 0.455 9.106 -6.011 225 1HE LYS 28 2HE LYS 28 0.839 11.652 -4.420 226 2HE LYS 28 1HE LYS 28 0.654 11.625 -6.171 227 1HZ LYS 28 1HZ LYS 28 -1.296 10.630 -4.167 228 2HZ LYS 28 2HZ LYS 28 -1.459 10.427 -5.847 229 3HZ LYS 28 3HZ LYS 28 -1.473 11.986 -5.171 230 H ALA 29 H ALA 29 2.910 10.426 0.014 231 HA ALA 29 HA ALA 29 5.701 10.020 -0.338 232 1HB ALA 29 1HB ALA 29 5.975 11.562 1.441 233 2HB ALA 29 2HB ALA 29 4.343 11.258 2.031 234 3HB ALA 29 3HB ALA 29 4.587 12.117 0.509 235 H PHE 30 H PHE 30 3.346 9.042 2.094 236 HA PHE 30 HA PHE 30 5.170 7.713 3.756 237 1HB PHE 30 2HB PHE 30 2.208 7.300 3.373 238 2HB PHE 30 1HB PHE 30 3.165 6.629 4.692 239 HD1 PHE 30 1HD PHE 30 4.933 8.791 5.526 240 HD2 PHE 30 2HD PHE 30 0.805 9.004 4.267 241 HE1 PHE 30 1HE PHE 30 4.635 10.884 6.788 242 HE2 PHE 30 2HE PHE 30 0.539 11.082 5.558 243 HZ PHE 30 HZ PHE 30 2.446 12.017 6.805 244 H ILE 31 H ILE 31 3.190 6.836 0.989 245 HA ILE 31 HA ILE 31 3.815 4.084 0.971 246 HB ILE 31 HB ILE 31 2.878 5.983 -1.165 247 1HG1 ILE 31 2HG1 ILE 31 1.673 3.460 0.027 248 2HG1 ILE 31 1HG1 ILE 31 1.280 5.093 0.543 249 1HG2 ILE 31 1HG2 ILE 31 2.670 3.796 -2.588 250 2HG2 ILE 31 2HG2 ILE 31 3.913 3.153 -1.521 251 3HG2 ILE 31 3HG2 ILE 31 4.247 4.576 -2.503 252 1HD1 ILE 31 1HD1 ILE 31 0.397 5.619 -1.669 253 2HD1 ILE 31 2HD1 ILE 31 -0.389 4.162 -1.052 254 3HD1 ILE 31 3HD1 ILE 31 0.885 4.032 -2.265 255 H ASP 32 H ASP 32 5.211 6.864 -0.681 256 HA ASP 32 HA ASP 32 7.208 5.528 -2.064 257 1HB ASP 32 2HB ASP 32 6.563 7.912 -2.414 258 2HB ASP 32 1HB ASP 32 7.405 8.318 -0.920 259 H SER 33 H SER 33 7.243 6.870 1.152 260 HA SER 33 HA SER 33 9.959 6.251 1.746 261 1HB SER 33 2HB SER 33 8.604 7.934 2.973 262 2HB SER 33 1HB SER 33 7.621 6.633 3.641 263 HG SER 33 HG SER 33 9.886 5.792 4.235 264 H LEU 34 H LEU 34 6.913 4.576 2.015 265 HA LEU 34 HA LEU 34 7.654 2.309 3.584 266 1HB LEU 34 2HB LEU 34 5.463 3.180 1.821 267 2HB LEU 34 1HB LEU 34 5.723 1.467 1.855 268 HG LEU 34 HG LEU 34 5.791 2.589 4.505 269 1HD1 LEU 34 1HD1 LEU 34 4.119 4.119 4.166 270 2HD1 LEU 34 2HD1 LEU 34 3.102 2.686 4.261 271 3HD1 LEU 34 3HD1 LEU 34 3.572 3.326 2.694 272 1HD2 LEU 34 1HD2 LEU 34 3.946 0.801 4.691 273 2HD2 LEU 34 2HD2 LEU 34 5.564 0.286 4.242 274 3HD2 LEU 34 3HD2 LEU 34 4.332 0.440 3.008 275 H ARG 35 H ARG 35 7.366 2.742 0.069 276 HA ARG 35 HA ARG 35 8.417 0.207 -0.680 277 1HB ARG 35 2HB ARG 35 9.121 2.244 -2.633 278 2HB ARG 35 1HB ARG 35 7.989 0.904 -2.787 279 1HG ARG 35 2HG ARG 35 6.325 2.288 -1.506 280 2HG ARG 35 1HG ARG 35 7.462 3.619 -1.608 281 1HD ARG 35 2HD ARG 35 5.492 2.794 -3.511 282 2HD ARG 35 1HD ARG 35 6.543 4.200 -3.555 283 HE ARG 35 HE ARG 35 8.074 2.962 -4.855 284 1HH1 ARG 35 1HH1 ARG 35 6.057 0.671 -3.467 285 2HH1 ARG 35 2HH1 ARG 35 5.906 -0.322 -4.888 286 1HH2 ARG 35 1HH2 ARG 35 7.514 1.968 -6.945 287 2HH2 ARG 35 2HH2 ARG 35 6.752 0.417 -6.860 288 H ASP 36 H ASP 36 9.922 3.380 -0.301 289 HA ASP 36 HA ASP 36 12.551 2.696 -1.030 290 1HB ASP 36 2HB ASP 36 11.668 5.016 -0.824 291 2HB ASP 36 1HB ASP 36 11.680 4.798 0.915 292 H ASP 37 H ASP 37 10.752 2.493 1.939 293 HA ASP 37 HA ASP 37 12.682 0.665 3.072 294 1HB ASP 37 2HB ASP 37 13.516 2.978 3.692 295 2HB ASP 37 1HB ASP 37 12.033 3.181 4.620 296 HA PRO 38 HA PRO 38 8.456 -0.485 4.113 297 1HB PRO 38 2HB PRO 38 9.388 -3.172 4.398 298 2HB PRO 38 1HB PRO 38 8.378 -2.495 3.143 299 1HG PRO 38 2HG PRO 38 10.982 -3.391 2.848 300 2HG PRO 38 1HG PRO 38 10.066 -2.412 1.693 301 1HD PRO 38 2HD PRO 38 12.223 -1.595 3.535 302 2HD PRO 38 1HD PRO 38 11.641 -0.814 2.047 303 H SER 39 H SER 39 11.438 -1.173 5.778 304 HA SER 39 HA SER 39 10.416 -2.233 8.186 305 1HB SER 39 2HB SER 39 12.880 -2.074 7.428 306 2HB SER 39 1HB SER 39 12.832 -0.427 8.040 307 HG SER 39 HG SER 39 12.027 -1.390 10.037 308 H GLN 40 H GLN 40 10.654 0.950 6.850 309 HA GLN 40 HA GLN 40 9.950 2.313 9.296 310 1HB GLN 40 2HB GLN 40 10.875 3.064 6.604 311 2HB GLN 40 1HB GLN 40 9.685 4.170 7.281 312 1HG GLN 40 2HG GLN 40 11.771 5.008 8.022 313 2HG GLN 40 1HG GLN 40 11.115 4.157 9.416 314 1HE2 GLN 40 1HE2 GLN 40 11.914 1.791 9.644 315 2HE2 GLN 40 2HE2 GLN 40 13.512 1.467 9.176 316 H SER 41 H SER 41 8.182 0.554 7.095 317 HA SER 41 HA SER 41 6.002 2.039 6.346 318 1HB SER 41 2HB SER 41 4.762 -0.065 6.332 319 2HB SER 41 1HB SER 41 6.412 -0.375 5.820 320 HG SER 41 HG SER 41 6.839 -1.318 7.720 321 H ALA 42 H ALA 42 6.650 0.631 9.515 322 HA ALA 42 HA ALA 42 4.132 1.164 10.731 323 1HB ALA 42 1HB ALA 42 6.868 1.011 12.000 324 2HB ALA 42 2HB ALA 42 5.893 -0.407 11.586 325 3HB ALA 42 3HB ALA 42 5.315 0.739 12.799 326 H ASN 43 H ASN 43 7.179 2.832 10.472 327 HA ASN 43 HA ASN 43 6.649 4.989 12.190 328 1HB ASN 43 2HB ASN 43 8.610 4.312 10.051 329 2HB ASN 43 1HB ASN 43 8.557 5.968 10.669 330 1HD2 ASN 43 1HD2 ASN 43 9.902 2.897 11.218 331 2HD2 ASN 43 2HD2 ASN 43 10.397 3.130 12.825 332 H LEU 44 H LEU 44 6.195 4.420 8.813 333 HA LEU 44 HA LEU 44 5.492 7.074 8.035 334 1HB LEU 44 2HB LEU 44 5.081 4.378 6.711 335 2HB LEU 44 1HB LEU 44 4.982 5.956 5.907 336 HG LEU 44 HG LEU 44 7.406 5.161 7.505 337 1HD1 LEU 44 1HD1 LEU 44 7.381 3.471 5.902 338 2HD1 LEU 44 2HD1 LEU 44 8.463 4.700 5.258 339 3HD1 LEU 44 3HD1 LEU 44 6.817 4.556 4.632 340 1HD2 LEU 44 1HD2 LEU 44 8.410 6.905 6.132 341 2HD2 LEU 44 2HD2 LEU 44 7.062 7.476 7.107 342 3HD2 LEU 44 3HD2 LEU 44 6.840 7.181 5.385 343 H LEU 45 H LEU 45 3.944 4.218 8.986 344 HA LEU 45 HA LEU 45 1.240 5.023 8.562 345 1HB LEU 45 2HB LEU 45 1.657 2.693 8.813 346 2HB LEU 45 1HB LEU 45 2.585 2.939 10.288 347 HG LEU 45 HG LEU 45 0.575 3.613 11.488 348 1HD1 LEU 45 1HD1 LEU 45 -0.670 3.412 8.747 349 2HD1 LEU 45 2HD1 LEU 45 -0.750 4.745 9.898 350 3HD1 LEU 45 3HD1 LEU 45 -1.648 3.260 10.205 351 1HD2 LEU 45 1HD2 LEU 45 0.240 1.071 9.866 352 2HD2 LEU 45 2HD2 LEU 45 -0.647 1.445 11.346 353 3HD2 LEU 45 3HD2 LEU 45 1.103 1.240 11.394 354 H ALA 46 H ALA 46 3.597 5.241 11.093 355 HA ALA 46 HA ALA 46 2.001 6.367 13.125 356 1HB ALA 46 1HB ALA 46 4.920 6.963 12.773 357 2HB ALA 46 2HB ALA 46 4.394 5.347 13.249 358 3HB ALA 46 3HB ALA 46 4.022 6.731 14.275 359 H GLU 47 H GLU 47 4.132 7.671 10.687 360 HA GLU 47 HA GLU 47 3.893 10.401 11.292 361 1HB GLU 47 2HB GLU 47 4.653 8.772 8.904 362 2HB GLU 47 1HB GLU 47 4.529 10.524 8.771 363 1HG GLU 47 2HG GLU 47 6.343 8.955 10.607 364 2HG GLU 47 1HG GLU 47 6.817 9.904 9.203 365 H ALA 48 H ALA 48 2.135 8.185 9.248 366 HA ALA 48 HA ALA 48 0.590 10.094 7.889 367 1HB ALA 48 1HB ALA 48 0.885 7.928 6.990 368 2HB ALA 48 2HB ALA 48 -0.801 8.028 7.447 369 3HB ALA 48 3HB ALA 48 0.332 7.162 8.474 370 H LYS 49 H LYS 49 -0.035 8.029 10.716 371 HA LYS 49 HA LYS 49 -2.633 9.007 11.244 372 1HB LYS 49 2HB LYS 49 -0.525 7.775 13.028 373 2HB LYS 49 1HB LYS 49 -2.127 8.230 13.613 374 1HG LYS 49 2HG LYS 49 -3.161 6.782 11.892 375 2HG LYS 49 1HG LYS 49 -1.560 6.304 11.338 376 1HD LYS 49 2HD LYS 49 -1.066 5.363 13.571 377 2HD LYS 49 1HD LYS 49 -2.674 5.836 14.121 378 1HE LYS 49 2HE LYS 49 -3.650 4.054 13.125 379 2HE LYS 49 1HE LYS 49 -2.764 4.314 11.624 380 1HZ LYS 49 1HZ LYS 49 -2.070 2.245 12.490 381 2HZ LYS 49 2HZ LYS 49 -1.837 2.882 14.049 382 3HZ LYS 49 3HZ LYS 49 -0.797 3.328 12.782 383 H LYS 50 H LYS 50 0.599 10.204 11.902 384 HA LYS 50 HA LYS 50 -0.226 12.209 13.740 385 1HB LYS 50 2HB LYS 50 2.091 11.254 13.602 386 2HB LYS 50 1HB LYS 50 2.285 12.096 12.069 387 1HG LYS 50 2HG LYS 50 1.913 14.259 13.185 388 2HG LYS 50 1HG LYS 50 1.667 13.429 14.723 389 1HD LYS 50 2HD LYS 50 3.935 14.085 14.810 390 2HD LYS 50 1HD LYS 50 4.006 12.394 14.312 391 1HE LYS 50 2HE LYS 50 4.113 13.169 11.920 392 2HE LYS 50 1HE LYS 50 4.227 14.826 12.512 393 1HZ LYS 50 1HZ LYS 50 6.420 14.141 12.205 394 2HZ LYS 50 2HZ LYS 50 6.145 12.605 12.877 395 3HZ LYS 50 3HZ LYS 50 6.174 13.980 13.875 396 H LEU 51 H LEU 51 0.406 12.037 10.314 397 HA LEU 51 HA LEU 51 0.029 14.798 9.805 398 1HB LEU 51 2HB LEU 51 0.371 12.347 8.177 399 2HB LEU 51 1HB LEU 51 -0.502 13.670 7.413 400 HG LEU 51 HG LEU 51 1.837 13.891 6.889 401 1HD1 LEU 51 1HD1 LEU 51 0.313 15.910 7.780 402 2HD1 LEU 51 2HD1 LEU 51 1.981 16.142 7.257 403 3HD1 LEU 51 3HD1 LEU 51 1.609 15.997 8.974 404 1HD2 LEU 51 1HD2 LEU 51 3.355 14.454 8.984 405 2HD2 LEU 51 2HD2 LEU 51 3.089 12.783 8.501 406 3HD2 LEU 51 3HD2 LEU 51 2.168 13.469 9.840 407 H ASN 52 H ASN 52 -1.996 11.957 9.693 408 HA ASN 52 HA ASN 52 -4.324 13.160 8.645 409 1HB ASN 52 2HB ASN 52 -4.251 10.820 8.569 410 2HB ASN 52 1HB ASN 52 -3.770 10.675 10.253 411 1HD2 ASN 52 1HD2 ASN 52 -5.449 10.495 11.802 412 2HD2 ASN 52 2HD2 ASN 52 -7.096 10.592 11.408 413 H ASP 53 H ASP 53 -3.171 12.472 11.917 414 HA ASP 53 HA ASP 53 -5.398 13.528 13.269 415 1HB ASP 53 2HB ASP 53 -2.533 13.169 14.135 416 2HB ASP 53 1HB ASP 53 -3.791 13.751 15.219 417 H ALA 54 H ALA 54 -2.407 14.947 12.116 418 HA ALA 54 HA ALA 54 -2.734 17.514 13.245 419 1HB ALA 54 1HB ALA 54 -1.180 16.499 10.865 420 2HB ALA 54 2HB ALA 54 -0.562 16.882 12.471 421 3HB ALA 54 3HB ALA 54 -1.113 18.177 11.406 422 H GLN 55 H GLN 55 -3.725 15.999 10.211 423 HA GLN 55 HA GLN 55 -4.917 18.447 9.180 424 1HB GLN 55 2HB GLN 55 -4.725 15.601 8.203 425 2HB GLN 55 1HB GLN 55 -5.671 16.830 7.350 426 1HG GLN 55 2HG GLN 55 -3.725 18.200 6.997 427 2HG GLN 55 1HG GLN 55 -2.751 17.201 8.075 428 1HE2 GLN 55 1HE2 GLN 55 -2.850 14.720 7.331 429 2HE2 GLN 55 2HE2 GLN 55 -2.584 14.482 5.673 430 H ALA 56 H ALA 56 -5.840 16.152 11.417 431 HA ALA 56 HA ALA 56 -8.619 15.879 10.716 432 1HB ALA 56 1HB ALA 56 -7.320 15.401 13.409 433 2HB ALA 56 2HB ALA 56 -7.366 14.209 12.113 434 3HB ALA 56 3HB ALA 56 -8.866 14.767 12.848 435 HA PRO 57 HA PRO 57 -10.403 19.689 11.921 436 1HB PRO 57 2HB PRO 57 -12.464 18.453 13.486 437 2HB PRO 57 1HB PRO 57 -12.557 19.066 11.831 438 1HG PRO 57 2HG PRO 57 -12.137 16.333 12.794 439 2HG PRO 57 1HG PRO 57 -12.899 16.915 11.303 440 1HD PRO 57 2HD PRO 57 -10.486 15.805 11.225 441 2HD PRO 57 1HD PRO 57 -10.859 17.233 10.233 442 H LYS 58 H LYS 58 -10.447 21.042 13.538 443 HA LYS 58 HA LYS 58 -9.986 20.217 16.313 444 1HB LYS 58 2HB LYS 58 -8.186 22.035 14.762 445 2HB LYS 58 1HB LYS 58 -8.165 21.929 16.515 446 1HG LYS 58 2HG LYS 58 -7.678 19.507 16.351 447 2HG LYS 58 1HG LYS 58 -7.684 19.632 14.596 448 1HD LYS 58 2HD LYS 58 -5.817 21.260 14.715 449 2HD LYS 58 1HD LYS 58 -5.784 21.069 16.468 450 1HE LYS 58 2HE LYS 58 -4.074 19.630 15.510 451 2HE LYS 58 1HE LYS 58 -5.370 18.612 16.135 452 1HZ LYS 58 1HZ LYS 58 -6.305 18.681 13.808 453 2HZ LYS 58 2HZ LYS 58 -4.871 17.795 14.007 454 3HZ LYS 58 3HZ LYS 58 -4.824 19.346 13.317 455 1H VAL 1 1HT VAL 1 -13.344 -6.936 5.956 456 2H VAL 1 2HT VAL 1 -13.539 -8.365 6.855 457 3H VAL 1 3HT VAL 1 -13.407 -6.870 7.650 458 HA VAL 1 HA VAL 1 -15.715 -7.928 7.387 459 HB VAL 1 HB VAL 1 -15.308 -5.664 8.263 460 1HG1 VAL 1 1HG1 VAL 1 -15.017 -3.746 6.891 461 2HG1 VAL 1 2HG1 VAL 1 -15.481 -4.615 5.430 462 3HG1 VAL 1 3HG1 VAL 1 -13.935 -4.956 6.205 463 1HG2 VAL 1 1HG2 VAL 1 -17.644 -6.438 7.673 464 2HG2 VAL 1 2HG2 VAL 1 -17.488 -5.555 6.155 465 3HG2 VAL 1 3HG2 VAL 1 -17.441 -4.687 7.689 466 H ASP 2 H ASP 2 -14.252 -6.260 4.606 467 HA ASP 2 HA ASP 2 -16.386 -6.634 2.790 468 1HB ASP 2 2HB ASP 2 -14.634 -6.213 1.049 469 2HB ASP 2 1HB ASP 2 -14.667 -5.004 2.330 470 H ASN 3 H ASN 3 -13.600 -8.631 3.622 471 HA ASN 3 HA ASN 3 -14.830 -11.040 2.815 472 1HB ASN 3 2HB ASN 3 -13.905 -9.730 0.618 473 2HB ASN 3 1HB ASN 3 -12.457 -10.615 1.079 474 1HD2 ASN 3 1HD2 ASN 3 -15.266 -10.887 -0.743 475 2HD2 ASN 3 2HD2 ASN 3 -15.368 -12.580 -0.811 476 H LYS 4 H LYS 4 -13.083 -12.872 2.769 477 HA LYS 4 HA LYS 4 -11.536 -12.606 5.179 478 1HB LYS 4 2HB LYS 4 -10.811 -14.947 4.689 479 2HB LYS 4 1HB LYS 4 -12.560 -14.749 4.732 480 1HG LYS 4 2HG LYS 4 -12.734 -15.508 2.621 481 2HG LYS 4 1HG LYS 4 -11.657 -14.246 2.050 482 1HD LYS 4 2HD LYS 4 -10.638 -16.796 3.325 483 2HD LYS 4 1HD LYS 4 -10.904 -16.641 1.591 484 1HE LYS 4 2HE LYS 4 -9.425 -14.428 1.963 485 2HE LYS 4 1HE LYS 4 -8.807 -15.386 3.305 486 1HZ LYS 4 1HZ LYS 4 -8.597 -17.226 1.561 487 2HZ LYS 4 2HZ LYS 4 -7.456 -15.967 1.535 488 3HZ LYS 4 3HZ LYS 4 -8.734 -15.981 0.418 489 H PHE 5 H PHE 5 -11.025 -11.755 2.016 490 HA PHE 5 HA PHE 5 -8.235 -12.328 1.788 491 1HB PHE 5 2HB PHE 5 -10.191 -10.708 0.162 492 2HB PHE 5 1HB PHE 5 -8.467 -10.748 -0.220 493 HD1 PHE 5 1HD PHE 5 -7.601 -12.514 -1.502 494 HD2 PHE 5 2HD PHE 5 -11.341 -12.998 0.551 495 HE1 PHE 5 1HE PHE 5 -7.875 -14.745 -2.541 496 HE2 PHE 5 2HE PHE 5 -11.625 -15.231 -0.504 497 HZ PHE 5 HZ PHE 5 -9.879 -16.103 -2.038 498 H ASN 6 H ASN 6 -9.525 -10.395 3.966 499 HA ASN 6 HA ASN 6 -8.314 -7.858 3.531 500 1HB ASN 6 2HB ASN 6 -8.951 -9.313 6.116 501 2HB ASN 6 1HB ASN 6 -8.452 -7.624 6.019 502 1HD2 ASN 6 1HD2 ASN 6 -10.223 -8.233 3.240 503 2HD2 ASN 6 2HD2 ASN 6 -11.752 -7.729 3.784 504 H LYS 7 H LYS 7 -7.165 -10.843 5.039 505 HA LYS 7 HA LYS 7 -4.560 -9.888 5.711 506 1HB LYS 7 2HB LYS 7 -5.490 -11.940 6.710 507 2HB LYS 7 1HB LYS 7 -5.543 -12.703 5.121 508 1HG LYS 7 2HG LYS 7 -3.096 -12.517 4.930 509 2HG LYS 7 1HG LYS 7 -3.021 -11.721 6.503 510 1HD LYS 7 2HD LYS 7 -2.550 -13.927 7.098 511 2HD LYS 7 1HD LYS 7 -4.297 -13.889 7.322 512 1HE LYS 7 2HE LYS 7 -3.802 -15.879 6.064 513 2HE LYS 7 1HE LYS 7 -4.515 -14.730 4.931 514 1HZ LYS 7 1HZ LYS 7 -1.875 -14.139 4.825 515 2HZ LYS 7 2HZ LYS 7 -2.704 -15.120 3.712 516 3HZ LYS 7 3HZ LYS 7 -1.854 -15.825 5.004 517 H GLU 8 H GLU 8 -5.949 -11.620 2.971 518 HA GLU 8 HA GLU 8 -3.617 -11.960 1.426 519 1HB GLU 8 2HB GLU 8 -6.530 -11.704 0.584 520 2HB GLU 8 1HB GLU 8 -5.231 -12.294 -0.454 521 1HG GLU 8 2HG GLU 8 -6.156 -13.552 2.154 522 2HG GLU 8 1HG GLU 8 -6.442 -14.193 0.534 523 H ARG 9 H ARG 9 -5.988 -9.362 1.602 524 HA ARG 9 HA ARG 9 -5.192 -7.897 -0.643 525 1HB ARG 9 2HB ARG 9 -7.318 -7.561 0.538 526 2HB ARG 9 1HB ARG 9 -6.451 -6.928 1.938 527 1HG ARG 9 2HG ARG 9 -5.686 -5.019 0.724 528 2HG ARG 9 1HG ARG 9 -6.166 -5.720 -0.819 529 1HD ARG 9 2HD ARG 9 -7.800 -4.036 -0.134 530 2HD ARG 9 1HD ARG 9 -8.536 -5.632 -0.101 531 HE ARG 9 HE ARG 9 -7.417 -4.585 2.407 532 1HH1 ARG 9 1HH1 ARG 9 -10.211 -4.028 0.643 533 2HH1 ARG 9 2HH1 ARG 9 -11.314 -4.588 1.855 534 1HH2 ARG 9 1HH2 ARG 9 -8.833 -5.878 3.896 535 2HH2 ARG 9 2HH2 ARG 9 -10.536 -5.634 3.692 536 H VAL 10 H VAL 10 -4.209 -7.585 2.825 537 HA VAL 10 HA VAL 10 -2.535 -5.384 2.372 538 HB VAL 10 HB VAL 10 -2.051 -5.379 4.547 539 1HG1 VAL 10 1HG1 VAL 10 -3.654 -6.327 5.967 540 2HG1 VAL 10 2HG1 VAL 10 -3.795 -7.786 4.974 541 3HG1 VAL 10 3HG1 VAL 10 -4.487 -6.268 4.403 542 1HG2 VAL 10 1HG2 VAL 10 -1.581 -8.347 4.608 543 2HG2 VAL 10 2HG2 VAL 10 -1.093 -7.149 5.818 544 3HG2 VAL 10 3HG2 VAL 10 -0.340 -7.149 4.221 545 H ILE 11 H ILE 11 -1.865 -8.828 2.069 546 HA ILE 11 HA ILE 11 0.937 -8.563 1.756 547 HB ILE 11 HB ILE 11 -0.928 -10.646 0.579 548 1HG1 ILE 11 2HG1 ILE 11 0.655 -10.439 3.158 549 2HG1 ILE 11 1HG1 ILE 11 -1.081 -10.656 2.979 550 1HG2 ILE 11 1HG2 ILE 11 1.382 -10.435 -0.504 551 2HG2 ILE 11 2HG2 ILE 11 1.032 -12.001 0.223 552 3HG2 ILE 11 3HG2 ILE 11 2.060 -10.849 1.071 553 1HD1 ILE 11 1HD1 ILE 11 -0.530 -12.844 3.366 554 2HD1 ILE 11 2HD1 ILE 11 1.112 -12.639 2.754 555 3HD1 ILE 11 3HD1 ILE 11 -0.231 -12.831 1.627 556 H ALA 12 H ALA 12 -1.774 -8.282 -0.502 557 HA ALA 12 HA ALA 12 -0.198 -7.959 -2.862 558 1HB ALA 12 1HB ALA 12 -2.516 -8.559 -3.108 559 2HB ALA 12 2HB ALA 12 -2.328 -6.917 -3.731 560 3HB ALA 12 3HB ALA 12 -3.023 -7.183 -2.135 561 H ILE 13 H ILE 13 -1.670 -5.720 -0.534 562 HA ILE 13 HA ILE 13 -0.975 -3.325 -1.838 563 HB ILE 13 HB ILE 13 -1.082 -3.910 1.151 564 1HG1 ILE 13 2HG1 ILE 13 -3.159 -2.626 -0.596 565 2HG1 ILE 13 1HG1 ILE 13 -3.169 -4.347 -0.236 566 1HG2 ILE 13 1HG2 ILE 13 -1.058 -1.322 -0.404 567 2HG2 ILE 13 2HG2 ILE 13 0.030 -1.807 0.882 568 3HG2 ILE 13 3HG2 ILE 13 -1.656 -1.433 1.252 569 1HD1 ILE 13 1HD1 ILE 13 -3.422 -2.051 1.670 570 2HD1 ILE 13 2HD1 ILE 13 -3.144 -3.681 2.221 571 3HD1 ILE 13 3HD1 ILE 13 -4.624 -3.291 1.348 572 H GLY 14 H GLY 14 0.713 -5.295 0.547 573 1HA GLY 14 2HA GLY 14 3.113 -3.855 0.703 574 2HA GLY 14 1HA GLY 14 2.917 -5.566 1.045 575 H GLU 15 H GLU 15 2.072 -6.424 -1.491 576 HA GLU 15 HA GLU 15 4.582 -6.828 -2.692 577 1HB GLU 15 2HB GLU 15 2.489 -8.286 -2.824 578 2HB GLU 15 1HB GLU 15 1.919 -7.183 -4.047 579 1HG GLU 15 2HG GLU 15 3.058 -9.123 -5.081 580 2HG GLU 15 1HG GLU 15 3.912 -7.629 -5.445 581 H ILE 16 H ILE 16 1.829 -4.679 -3.391 582 HA ILE 16 HA ILE 16 2.912 -3.560 -5.787 583 HB ILE 16 HB ILE 16 1.660 -1.668 -3.783 584 1HG1 ILE 16 2HG1 ILE 16 0.212 -3.690 -3.730 585 2HG1 ILE 16 1HG1 ILE 16 -0.591 -2.283 -4.374 586 1HG2 ILE 16 1HG2 ILE 16 2.376 -0.773 -5.909 587 2HG2 ILE 16 2HG2 ILE 16 0.618 -0.765 -5.846 588 3HG2 ILE 16 3HG2 ILE 16 1.458 -1.993 -6.784 589 1HD1 ILE 16 1HD1 ILE 16 0.717 -4.388 -6.089 590 2HD1 ILE 16 2HD1 ILE 16 -0.294 -3.040 -6.624 591 3HD1 ILE 16 3HD1 ILE 16 -1.003 -4.364 -5.693 592 H MET 17 H MET 17 3.257 -2.614 -2.414 593 HA MET 17 HA MET 17 5.063 -0.471 -2.683 594 1HB MET 17 2HB MET 17 4.762 -2.315 -0.340 595 2HB MET 17 1HB MET 17 5.335 -0.642 -0.336 596 1HG MET 17 2HG MET 17 2.588 -1.436 -1.277 597 2HG MET 17 1HG MET 17 2.913 -0.919 0.358 598 1HE MET 17 1HE MET 17 3.398 2.268 0.647 599 2HE MET 17 2HE MET 17 4.931 1.975 -0.181 600 3HE MET 17 3HE MET 17 4.241 0.716 0.878 601 H ARG 18 H ARG 18 5.581 -3.959 -2.425 602 HA ARG 18 HA ARG 18 8.370 -3.923 -1.969 603 1HB ARG 18 2HB ARG 18 6.563 -5.957 -3.193 604 2HB ARG 18 1HB ARG 18 8.274 -6.241 -2.984 605 1HG ARG 18 2HG ARG 18 6.675 -5.312 -0.630 606 2HG ARG 18 1HG ARG 18 6.533 -6.986 -1.132 607 1HD ARG 18 2HD ARG 18 9.283 -5.867 -0.886 608 2HD ARG 18 1HD ARG 18 8.402 -6.173 0.610 609 HE ARG 18 HE ARG 18 8.998 -8.378 0.257 610 1HH1 ARG 18 1HH1 ARG 18 6.860 -8.972 -1.658 611 2HH1 ARG 18 2HH1 ARG 18 7.709 -9.487 -3.077 612 1HH2 ARG 18 1HH2 ARG 18 10.738 -8.139 -2.074 613 2HH2 ARG 18 2HH2 ARG 18 9.903 -9.019 -3.309 614 H LEU 19 H LEU 19 6.402 -3.823 -4.884 615 HA LEU 19 HA LEU 19 8.428 -4.241 -6.795 616 1HB LEU 19 2HB LEU 19 5.909 -2.610 -7.026 617 2HB LEU 19 1HB LEU 19 6.894 -3.115 -8.365 618 HG LEU 19 HG LEU 19 5.589 -5.026 -6.432 619 1HD1 LEU 19 1HD1 LEU 19 3.887 -3.765 -7.660 620 2HD1 LEU 19 2HD1 LEU 19 3.950 -5.423 -8.231 621 3HD1 LEU 19 3HD1 LEU 19 4.696 -4.136 -9.181 622 1HD2 LEU 19 1HD2 LEU 19 6.237 -5.865 -9.153 623 2HD2 LEU 19 2HD2 LEU 19 6.528 -6.679 -7.621 624 3HD2 LEU 19 3HD2 LEU 19 7.642 -5.440 -8.187 625 HA PRO 20 HA PRO 20 10.426 -0.288 -6.073 626 1HB PRO 20 2HB PRO 20 12.626 -1.204 -7.693 627 2HB PRO 20 1HB PRO 20 12.553 -1.031 -5.936 628 1HG PRO 20 2HG PRO 20 12.764 -3.407 -7.266 629 2HG PRO 20 1HG PRO 20 12.122 -3.218 -5.625 630 1HD PRO 20 2HD PRO 20 10.638 -3.541 -8.205 631 2HD PRO 20 1HD PRO 20 10.279 -4.205 -6.594 632 H ASN 21 H ASN 21 9.342 -1.632 -9.047 633 HA ASN 21 HA ASN 21 10.336 0.628 -10.636 634 1HB ASN 21 2HB ASN 21 8.769 -1.782 -11.538 635 2HB ASN 21 1HB ASN 21 9.552 -0.596 -12.566 636 1HD2 ASN 21 1HD2 ASN 21 10.066 -3.593 -12.167 637 2HD2 ASN 21 2HD2 ASN 21 11.729 -3.684 -11.841 638 H LEU 22 H LEU 22 7.430 -0.290 -8.961 639 HA LEU 22 HA LEU 22 5.615 1.097 -10.692 640 1HB LEU 22 2HB LEU 22 5.261 0.364 -7.790 641 2HB LEU 22 1HB LEU 22 3.997 0.971 -8.834 642 HG LEU 22 HG LEU 22 5.460 -1.662 -9.001 643 1HD1 LEU 22 1HD1 LEU 22 2.584 -0.789 -8.656 644 2HD1 LEU 22 2HD1 LEU 22 3.552 -1.783 -7.572 645 3HD1 LEU 22 3HD1 LEU 22 3.008 -2.436 -9.122 646 1HD2 LEU 22 1HD2 LEU 22 3.912 -0.142 -11.055 647 2HD2 LEU 22 2HD2 LEU 22 3.875 -1.894 -11.049 648 3HD2 LEU 22 3HD2 LEU 22 5.413 -1.056 -11.245 649 H ASN 23 H ASN 23 4.468 2.973 -10.288 650 HA ASN 23 HA ASN 23 6.078 5.152 -9.210 651 1HB ASN 23 2HB ASN 23 5.242 5.884 -11.201 652 2HB ASN 23 1HB ASN 23 3.923 4.763 -11.189 653 1HD2 ASN 23 1HD2 ASN 23 4.886 7.596 -9.212 654 2HD2 ASN 23 2HD2 ASN 23 3.357 8.320 -9.270 655 H SER 24 H SER 24 5.117 6.709 -7.701 656 HA SER 24 HA SER 24 3.876 5.545 -5.467 657 1HB SER 24 2HB SER 24 3.410 7.920 -4.780 658 2HB SER 24 1HB SER 24 5.085 7.631 -5.246 659 HG SER 24 HG SER 24 4.626 9.338 -6.450 660 H LEU 25 H LEU 25 2.534 7.406 -8.147 661 HA LEU 25 HA LEU 25 -0.165 7.301 -7.283 662 1HB LEU 25 2HB LEU 25 1.289 8.480 -9.451 663 2HB LEU 25 1HB LEU 25 -0.098 7.638 -10.078 664 HG LEU 25 HG LEU 25 -0.130 9.690 -7.905 665 1HD1 LEU 25 1HD1 LEU 25 0.245 10.648 -10.141 666 2HD1 LEU 25 2HD1 LEU 25 -1.367 11.053 -9.554 667 3HD1 LEU 25 3HD1 LEU 25 -1.160 9.774 -10.750 668 1HD2 LEU 25 1HD2 LEU 25 -1.987 8.532 -7.309 669 2HD2 LEU 25 2HD2 LEU 25 -2.051 7.686 -8.854 670 3HD2 LEU 25 3HD2 LEU 25 -2.716 9.315 -8.713 671 H GLN 26 H GLN 26 1.829 5.273 -9.410 672 HA GLN 26 HA GLN 26 -0.271 3.699 -10.464 673 1HB GLN 26 2HB GLN 26 2.664 3.242 -10.038 674 2HB GLN 26 1HB GLN 26 1.632 1.965 -10.669 675 1HG GLN 26 2HG GLN 26 0.958 3.425 -12.538 676 2HG GLN 26 1HG GLN 26 1.991 4.718 -11.900 677 1HE2 GLN 26 1HE2 GLN 26 3.662 1.986 -11.133 678 2HE2 GLN 26 2HE2 GLN 26 4.607 1.833 -12.531 679 H VAL 27 H VAL 27 1.785 3.449 -7.648 680 HA VAL 27 HA VAL 27 0.882 0.950 -6.745 681 HB VAL 27 HB VAL 27 2.228 3.250 -5.342 682 1HG1 VAL 27 1HG1 VAL 27 2.735 1.191 -3.700 683 2HG1 VAL 27 2HG1 VAL 27 1.149 0.672 -4.264 684 3HG1 VAL 27 3HG1 VAL 27 1.333 2.231 -3.467 685 1HG2 VAL 27 1HG2 VAL 27 3.825 0.941 -5.424 686 2HG2 VAL 27 2HG2 VAL 27 3.984 2.356 -6.463 687 3HG2 VAL 27 3HG2 VAL 27 3.016 0.978 -6.991 688 H VAL 28 H VAL 28 -0.092 4.242 -6.047 689 HA VAL 28 HA VAL 28 -2.124 3.617 -4.196 690 HB VAL 28 HB VAL 28 -1.890 5.945 -6.129 691 1HG1 VAL 28 1HG1 VAL 28 -3.774 6.807 -5.217 692 2HG1 VAL 28 2HG1 VAL 28 -3.316 6.311 -3.587 693 3HG1 VAL 28 3HG1 VAL 28 -4.090 5.161 -4.675 694 1HG2 VAL 28 1HG2 VAL 28 -0.383 6.852 -4.711 695 2HG2 VAL 28 2HG2 VAL 28 -0.256 5.271 -3.941 696 3HG2 VAL 28 3HG2 VAL 28 -1.372 6.475 -3.300 697 H ALA 29 H ALA 29 -1.925 3.677 -7.703 698 HA ALA 29 HA ALA 29 -4.643 3.526 -8.377 699 1HB ALA 29 1HB ALA 29 -3.853 3.272 -10.499 700 2HB ALA 29 2HB ALA 29 -2.795 1.930 -10.050 701 3HB ALA 29 3HB ALA 29 -2.276 3.594 -9.776 702 H PHE 30 H PHE 30 -2.220 1.027 -7.664 703 HA PHE 30 HA PHE 30 -4.019 -1.120 -8.019 704 1HB PHE 30 2HB PHE 30 -1.272 -0.909 -6.741 705 2HB PHE 30 1HB PHE 30 -2.126 -2.427 -7.049 706 HD1 PHE 30 1HD PHE 30 0.406 -0.458 -8.343 707 HD2 PHE 30 2HD PHE 30 -3.264 -2.327 -9.684 708 HE1 PHE 30 1HE PHE 30 1.159 -0.318 -10.665 709 HE2 PHE 30 2HE PHE 30 -2.461 -2.163 -11.994 710 HZ PHE 30 HZ PHE 30 -0.264 -1.176 -12.499 711 H ILE 31 H ILE 31 -2.721 0.597 -5.153 712 HA ILE 31 HA ILE 31 -3.934 -1.008 -3.185 713 HB ILE 31 HB ILE 31 -3.310 1.958 -3.123 714 1HG1 ILE 31 2HG1 ILE 31 -1.737 -0.347 -1.943 715 2HG1 ILE 31 1HG1 ILE 31 -1.396 0.298 -3.539 716 1HG2 ILE 31 1HG2 ILE 31 -3.305 1.615 -0.642 717 2HG2 ILE 31 2HG2 ILE 31 -3.926 -0.016 -0.904 718 3HG2 ILE 31 3HG2 ILE 31 -4.903 1.377 -1.357 719 1HD1 ILE 31 1HD1 ILE 31 0.063 1.364 -1.849 720 2HD1 ILE 31 2HD1 ILE 31 -1.369 1.886 -0.950 721 3HD1 ILE 31 3HD1 ILE 31 -1.048 2.539 -2.562 722 H ASN 32 H ASN 32 -5.071 1.948 -4.768 723 HA ASN 32 HA ASN 32 -7.561 2.158 -3.497 724 1HB ASN 32 2HB ASN 32 -6.422 3.906 -4.907 725 2HB ASN 32 1HB ASN 32 -6.891 2.986 -6.329 726 1HD2 ASN 32 1HD2 ASN 32 -8.249 4.732 -7.051 727 2HD2 ASN 32 2HD2 ASN 32 -9.740 5.067 -6.310 728 H SER 33 H SER 33 -6.474 0.120 -6.171 729 HA SER 33 HA SER 33 -9.108 -0.537 -7.019 730 1HB SER 33 2HB SER 33 -6.378 -1.377 -7.755 731 2HB SER 33 1HB SER 33 -7.737 -2.399 -8.227 732 HG SER 33 HG SER 33 -7.707 0.396 -8.652 733 H LEU 34 H LEU 34 -6.826 -1.747 -4.661 734 HA LEU 34 HA LEU 34 -8.038 -4.308 -4.284 735 1HB LEU 34 2HB LEU 34 -6.837 -2.753 -2.005 736 2HB LEU 34 1HB LEU 34 -6.826 -4.483 -2.273 737 HG LEU 34 HG LEU 34 -5.246 -2.416 -3.802 738 1HD1 LEU 34 1HD1 LEU 34 -3.952 -4.737 -2.513 739 2HD1 LEU 34 2HD1 LEU 34 -4.625 -3.510 -1.442 740 3HD1 LEU 34 3HD1 LEU 34 -3.415 -3.056 -2.653 741 1HD2 LEU 34 1HD2 LEU 34 -4.230 -4.536 -4.820 742 2HD2 LEU 34 2HD2 LEU 34 -5.809 -4.015 -5.389 743 3HD2 LEU 34 3HD2 LEU 34 -5.680 -5.326 -4.243 744 H ARG 35 H ARG 35 -8.467 -1.074 -2.912 745 HA ARG 35 HA ARG 35 -10.601 -1.614 -1.111 746 1HB ARG 35 2HB ARG 35 -9.936 0.869 -2.721 747 2HB ARG 35 1HB ARG 35 -11.268 0.812 -1.573 748 1HG ARG 35 2HG ARG 35 -9.612 0.112 0.186 749 2HG ARG 35 1HG ARG 35 -8.328 0.415 -0.986 750 1HD ARG 35 2HD ARG 35 -8.680 2.704 -0.975 751 2HD ARG 35 1HD ARG 35 -10.341 2.555 -0.408 752 HE ARG 35 HE ARG 35 -8.275 1.679 1.484 753 1HH1 ARG 35 1HH1 ARG 35 -8.066 4.689 0.824 754 2HH1 ARG 35 2HH1 ARG 35 -9.037 5.370 2.084 755 1HH2 ARG 35 1HH2 ARG 35 -10.556 2.370 2.900 756 2HH2 ARG 35 2HH2 ARG 35 -10.446 4.061 3.255 757 H ASP 36 H ASP 36 -10.521 -0.782 -4.527 758 HA ASP 36 HA ASP 36 -13.311 -0.686 -4.999 759 1HB ASP 36 2HB ASP 36 -10.982 -1.245 -6.857 760 2HB ASP 36 1HB ASP 36 -12.626 -0.917 -7.393 761 H ASP 37 H ASP 37 -10.935 -3.278 -5.079 762 HA ASP 37 HA ASP 37 -13.032 -5.295 -4.978 763 1HB ASP 37 2HB ASP 37 -11.502 -4.734 -7.438 764 2HB ASP 37 1HB ASP 37 -11.484 -6.422 -6.942 765 HA PRO 38 HA PRO 38 -9.469 -6.477 -2.441 766 1HB PRO 38 2HB PRO 38 -11.345 -7.885 -0.788 767 2HB PRO 38 1HB PRO 38 -10.419 -6.438 -0.400 768 1HG PRO 38 2HG PRO 38 -13.167 -6.596 -0.770 769 2HG PRO 38 1HG PRO 38 -12.197 -5.119 -0.705 770 1HD PRO 38 2HD PRO 38 -13.409 -6.449 -3.035 771 2HD PRO 38 1HD PRO 38 -12.848 -4.773 -2.853 772 H SER 39 H SER 39 -12.105 -8.234 -3.858 773 HA SER 39 HA SER 39 -11.158 -10.884 -3.444 774 1HB SER 39 2HB SER 39 -12.760 -11.441 -5.281 775 2HB SER 39 1HB SER 39 -13.488 -10.488 -3.992 776 HG SER 39 HG SER 39 -12.614 -8.687 -5.554 777 H GLN 40 H GLN 40 -10.708 -8.425 -5.926 778 HA GLN 40 HA GLN 40 -8.829 -10.167 -7.327 779 1HB GLN 40 2HB GLN 40 -9.481 -7.569 -8.548 780 2HB GLN 40 1HB GLN 40 -9.310 -9.145 -9.267 781 1HG GLN 40 2HG GLN 40 -11.712 -8.447 -7.592 782 2HG GLN 40 1HG GLN 40 -11.663 -8.197 -9.331 783 1HE2 GLN 40 1HE2 GLN 40 -12.964 -10.315 -7.279 784 2HE2 GLN 40 2HE2 GLN 40 -12.748 -11.770 -8.127 785 H SER 41 H SER 41 -8.361 -8.667 -4.735 786 HA SER 41 HA SER 41 -6.760 -6.434 -5.176 787 1HB SER 41 2HB SER 41 -7.408 -7.130 -2.910 788 2HB SER 41 1HB SER 41 -6.544 -8.657 -3.088 789 HG SER 41 HG SER 41 -4.712 -6.985 -3.560 790 H ALA 42 H ALA 42 -6.169 -9.795 -5.504 791 HA ALA 42 HA ALA 42 -3.340 -9.744 -5.898 792 1HB ALA 42 1HB ALA 42 -5.287 -11.844 -6.842 793 2HB ALA 42 2HB ALA 42 -4.794 -11.702 -5.152 794 3HB ALA 42 3HB ALA 42 -3.591 -12.055 -6.397 795 H ASN 43 H ASN 43 -6.152 -9.318 -7.899 796 HA ASN 43 HA ASN 43 -5.077 -9.913 -10.430 797 1HB ASN 43 2HB ASN 43 -7.467 -9.762 -9.684 798 2HB ASN 43 1HB ASN 43 -7.293 -8.018 -9.887 799 1HD2 ASN 43 1HD2 ASN 43 -6.356 -7.383 -12.159 800 2HD2 ASN 43 2HD2 ASN 43 -6.923 -8.277 -13.485 801 H LEU 44 H LEU 44 -5.787 -6.787 -8.902 802 HA LEU 44 HA LEU 44 -4.464 -5.434 -10.993 803 1HB LEU 44 2HB LEU 44 -5.025 -3.370 -9.915 804 2HB LEU 44 1HB LEU 44 -6.414 -4.430 -9.869 805 HG LEU 44 HG LEU 44 -5.996 -3.143 -7.812 806 1HD1 LEU 44 1HD1 LEU 44 -5.824 -5.906 -6.932 807 2HD1 LEU 44 2HD1 LEU 44 -7.049 -5.573 -8.149 808 3HD1 LEU 44 3HD1 LEU 44 -7.056 -4.672 -6.630 809 1HD2 LEU 44 1HD2 LEU 44 -4.202 -3.338 -6.506 810 2HD2 LEU 44 2HD2 LEU 44 -3.426 -3.729 -8.014 811 3HD2 LEU 44 3HD2 LEU 44 -3.941 -5.020 -6.923 812 H LEU 45 H LEU 45 -3.657 -6.833 -7.986 813 HA LEU 45 HA LEU 45 -1.140 -5.552 -7.561 814 1HB LEU 45 2HB LEU 45 -1.826 -6.830 -5.706 815 2HB LEU 45 1HB LEU 45 -2.404 -8.149 -6.713 816 HG LEU 45 HG LEU 45 -0.068 -8.716 -7.311 817 1HD1 LEU 45 1HD1 LEU 45 0.890 -6.469 -7.066 818 2HD1 LEU 45 2HD1 LEU 45 1.770 -7.629 -6.090 819 3HD1 LEU 45 3HD1 LEU 45 0.618 -6.533 -5.330 820 1HD2 LEU 45 1HD2 LEU 45 0.549 -9.017 -4.629 821 2HD2 LEU 45 2HD2 LEU 45 -0.434 -10.120 -5.589 822 3HD2 LEU 45 3HD2 LEU 45 -1.206 -8.874 -4.619 823 H ALA 46 H ALA 46 -2.491 -8.131 -9.410 824 HA ALA 46 HA ALA 46 -0.109 -9.248 -10.481 825 1HB ALA 46 1HB ALA 46 -2.916 -9.696 -10.731 826 2HB ALA 46 2HB ALA 46 -1.612 -10.677 -11.408 827 3HB ALA 46 3HB ALA 46 -2.316 -9.369 -12.357 828 H GLU 47 H GLU 47 -2.336 -6.702 -11.424 829 HA GLU 47 HA GLU 47 -1.155 -5.918 -13.859 830 1HB GLU 47 2HB GLU 47 -2.788 -4.341 -11.845 831 2HB GLU 47 1HB GLU 47 -2.331 -3.739 -13.430 832 1HG GLU 47 2HG GLU 47 -4.010 -6.181 -12.859 833 2HG GLU 47 1HG GLU 47 -4.610 -4.618 -13.391 834 H ALA 48 H ALA 48 -0.555 -5.205 -10.491 835 HA ALA 48 HA ALA 48 1.170 -2.980 -10.826 836 1HB ALA 48 1HB ALA 48 1.515 -4.722 -8.486 837 2HB ALA 48 2HB ALA 48 -0.145 -4.185 -8.760 838 3HB ALA 48 3HB ALA 48 1.145 -2.999 -8.561 839 H LYS 49 H LYS 49 1.702 -6.393 -10.116 840 HA LYS 49 HA LYS 49 4.516 -6.248 -10.083 841 1HB LYS 49 2HB LYS 49 2.521 -8.462 -10.427 842 2HB LYS 49 1HB LYS 49 4.254 -8.782 -10.505 843 1HG LYS 49 2HG LYS 49 4.445 -7.630 -8.257 844 2HG LYS 49 1HG LYS 49 2.684 -7.619 -8.196 845 1HD LYS 49 2HD LYS 49 4.299 -10.148 -8.624 846 2HD LYS 49 1HD LYS 49 3.814 -9.587 -7.029 847 1HE LYS 49 2HE LYS 49 1.486 -9.499 -8.665 848 2HE LYS 49 1HE LYS 49 2.263 -11.053 -8.960 849 1HZ LYS 49 1HZ LYS 49 0.708 -11.080 -7.069 850 2HZ LYS 49 2HZ LYS 49 1.688 -9.948 -6.266 851 3HZ LYS 49 3HZ LYS 49 2.290 -11.496 -6.624 852 H LYS 50 H LYS 50 2.106 -6.674 -12.532 853 HA LYS 50 HA LYS 50 3.799 -7.234 -14.749 854 1HB LYS 50 2HB LYS 50 1.340 -7.668 -14.617 855 2HB LYS 50 1HB LYS 50 1.096 -5.929 -14.711 856 1HG LYS 50 2HG LYS 50 2.136 -5.841 -16.906 857 2HG LYS 50 1HG LYS 50 2.582 -7.546 -16.801 858 1HD LYS 50 2HD LYS 50 0.611 -7.518 -18.134 859 2HD LYS 50 1HD LYS 50 0.073 -8.026 -16.534 860 1HE LYS 50 2HE LYS 50 -0.579 -5.669 -16.037 861 2HE LYS 50 1HE LYS 50 -0.115 -5.219 -17.677 862 1HZ LYS 50 1HZ LYS 50 -2.544 -5.758 -17.254 863 2HZ LYS 50 2HZ LYS 50 -2.058 -7.382 -17.151 864 3HZ LYS 50 3HZ LYS 50 -1.810 -6.508 -18.586 865 H LEU 51 H LEU 51 2.440 -4.303 -13.297 866 HA LEU 51 HA LEU 51 3.392 -2.522 -15.320 867 1HB LEU 51 2HB LEU 51 1.994 -2.294 -12.771 868 2HB LEU 51 1HB LEU 51 3.219 -1.044 -12.952 869 HG LEU 51 HG LEU 51 0.977 -0.421 -13.879 870 1HD1 LEU 51 1HD1 LEU 51 2.117 0.102 -16.256 871 2HD1 LEU 51 2HD1 LEU 51 3.560 -0.412 -15.374 872 3HD1 LEU 51 3HD1 LEU 51 2.585 0.943 -14.773 873 1HD2 LEU 51 1HD2 LEU 51 -0.108 -1.911 -15.184 874 2HD2 LEU 51 2HD2 LEU 51 1.283 -2.996 -15.152 875 3HD2 LEU 51 3HD2 LEU 51 1.163 -1.752 -16.397 876 H ASN 52 H ASN 52 4.556 -3.658 -12.255 877 HA ASN 52 HA ASN 52 6.922 -2.097 -12.134 878 1HB ASN 52 2HB ASN 52 6.195 -3.247 -10.162 879 2HB ASN 52 1HB ASN 52 6.198 -4.799 -10.985 880 1HD2 ASN 52 1HD2 ASN 52 8.354 -5.627 -11.677 881 2HD2 ASN 52 2HD2 ASN 52 9.735 -5.189 -10.795 882 H ASP 53 H ASP 53 5.966 -5.145 -13.542 883 HA ASP 53 HA ASP 53 8.551 -5.862 -14.567 884 1HB ASP 53 2HB ASP 53 5.761 -6.686 -15.400 885 2HB ASP 53 1HB ASP 53 7.220 -7.361 -16.107 886 H ALA 54 H ALA 54 5.852 -3.966 -15.703 887 HA ALA 54 HA ALA 54 6.641 -3.605 -18.390 888 1HB ALA 54 1HB ALA 54 4.382 -3.134 -17.211 889 2HB ALA 54 2HB ALA 54 4.899 -2.063 -18.514 890 3HB ALA 54 3HB ALA 54 5.092 -1.564 -16.835 891 H GLN 55 H GLN 55 7.301 -1.825 -15.407 892 HA GLN 55 HA GLN 55 8.915 0.166 -16.811 893 1HB GLN 55 2HB GLN 55 8.155 -0.197 -13.953 894 2HB GLN 55 1HB GLN 55 9.125 1.137 -14.540 895 1HG GLN 55 2HG GLN 55 7.338 2.106 -15.659 896 2HG GLN 55 1HG GLN 55 6.498 0.567 -15.856 897 1HE2 GLN 55 1HE2 GLN 55 6.052 -0.476 -13.499 898 2HE2 GLN 55 2HE2 GLN 55 5.315 0.598 -12.411 899 H ALA 56 H ALA 56 9.386 -2.895 -15.554 900 HA ALA 56 HA ALA 56 11.878 -2.611 -14.218 901 1HB ALA 56 1HB ALA 56 10.553 -4.646 -13.958 902 2HB ALA 56 2HB ALA 56 12.137 -5.044 -14.620 903 3HB ALA 56 3HB ALA 56 10.728 -5.001 -15.675 904 HA PRO 57 HA PRO 57 14.711 -2.304 -17.525 905 1HB PRO 57 2HB PRO 57 16.763 -3.842 -16.208 906 2HB PRO 57 1HB PRO 57 16.564 -2.085 -16.239 907 1HG PRO 57 2HG PRO 57 16.293 -3.636 -14.002 908 2HG PRO 57 1HG PRO 57 15.554 -2.040 -14.219 909 1HD PRO 57 2HD PRO 57 14.321 -4.753 -14.574 910 2HD PRO 57 1HD PRO 57 13.639 -3.292 -13.820 911 H LYS 58 H LYS 58 16.495 -3.684 -18.700 912 HA LYS 58 HA LYS 58 15.188 -6.115 -19.672 913 1HB LYS 58 2HB LYS 58 17.272 -4.308 -20.813 914 2HB LYS 58 1HB LYS 58 16.800 -5.815 -21.573 915 1HG LYS 58 2HG LYS 58 14.663 -5.041 -22.099 916 2HG LYS 58 1HG LYS 58 14.661 -3.856 -20.795 917 1HD LYS 58 2HD LYS 58 14.876 -2.629 -22.849 918 2HD LYS 58 1HD LYS 58 16.451 -2.589 -22.061 919 1HE LYS 58 2HE LYS 58 15.818 -4.757 -24.062 920 2HE LYS 58 1HE LYS 58 16.326 -3.162 -24.615 921 1HZ LYS 58 1HZ LYS 58 18.359 -4.056 -24.357 922 2HZ LYS 58 2HZ LYS 58 17.842 -5.217 -23.229 923 3HZ LYS 58 3HZ LYS 58 18.139 -3.619 -22.733 Start of MODEL 15 1 1H VAL 1 1HT VAL 1 5.160 -15.121 7.068 2 2H VAL 1 2HT VAL 1 5.172 -16.532 8.015 3 3H VAL 1 3HT VAL 1 6.488 -16.174 7.001 4 HA VAL 1 HA VAL 1 5.667 -14.409 9.230 5 HB VAL 1 HB VAL 1 7.606 -15.446 10.473 6 1HG1 VAL 1 1HG1 VAL 1 5.363 -17.372 9.782 7 2HG1 VAL 1 2HG1 VAL 1 5.223 -16.038 10.928 8 3HG1 VAL 1 3HG1 VAL 1 6.331 -17.369 11.258 9 1HG2 VAL 1 1HG2 VAL 1 7.394 -17.476 8.218 10 2HG2 VAL 1 2HG2 VAL 1 8.235 -17.783 9.736 11 3HG2 VAL 1 3HG2 VAL 1 8.808 -16.517 8.654 12 H ASP 2 H ASP 2 8.058 -15.539 6.887 13 HA ASP 2 HA ASP 2 10.000 -13.520 7.272 14 1HB ASP 2 2HB ASP 2 10.834 -14.204 5.067 15 2HB ASP 2 1HB ASP 2 10.426 -15.617 6.038 16 H ASN 3 H ASN 3 7.051 -13.684 5.408 17 HA ASN 3 HA ASN 3 7.513 -11.200 3.982 18 1HB ASN 3 2HB ASN 3 5.361 -11.641 2.957 19 2HB ASN 3 1HB ASN 3 6.294 -13.134 2.979 20 1HD2 ASN 3 1HD2 ASN 3 3.220 -12.045 3.511 21 2HD2 ASN 3 2HD2 ASN 3 2.705 -13.184 4.659 22 H LYS 4 H LYS 4 6.993 -11.556 7.116 23 HA LYS 4 HA LYS 4 4.618 -10.247 7.779 24 1HB LYS 4 2HB LYS 4 6.128 -11.350 9.420 25 2HB LYS 4 1HB LYS 4 7.271 -10.020 9.234 26 1HG LYS 4 2HG LYS 4 6.033 -9.419 11.149 27 2HG LYS 4 1HG LYS 4 5.248 -8.500 9.868 28 1HD LYS 4 2HD LYS 4 3.521 -10.239 9.650 29 2HD LYS 4 1HD LYS 4 4.320 -11.198 10.894 30 1HE LYS 4 2HE LYS 4 2.667 -10.094 12.131 31 2HE LYS 4 1HE LYS 4 4.054 -9.029 12.357 32 1HZ LYS 4 1HZ LYS 4 2.733 -8.325 9.979 33 2HZ LYS 4 2HZ LYS 4 2.941 -7.400 11.388 34 3HZ LYS 4 3HZ LYS 4 1.584 -8.409 11.224 35 H PHE 5 H PHE 5 7.825 -8.826 7.129 36 HA PHE 5 HA PHE 5 7.109 -6.158 7.550 37 1HB PHE 5 2HB PHE 5 9.184 -5.576 6.620 38 2HB PHE 5 1HB PHE 5 9.466 -7.177 7.296 39 HD1 PHE 5 1HD PHE 5 9.304 -9.204 5.740 40 HD2 PHE 5 2HD PHE 5 9.482 -5.158 4.300 41 HE1 PHE 5 1HE PHE 5 9.970 -10.031 3.501 42 HE2 PHE 5 2HE PHE 5 10.151 -5.987 2.063 43 HZ PHE 5 HZ PHE 5 10.393 -8.424 1.661 44 H ASN 6 H ASN 6 6.958 -8.214 4.656 45 HA ASN 6 HA ASN 6 6.188 -6.189 2.812 46 1HB ASN 6 2HB ASN 6 7.005 -8.422 2.121 47 2HB ASN 6 1HB ASN 6 5.549 -9.146 2.798 48 1HD2 ASN 6 1HD2 ASN 6 4.262 -9.744 1.062 49 2HD2 ASN 6 2HD2 ASN 6 3.922 -8.751 -0.279 50 H LYS 7 H LYS 7 4.443 -8.492 4.806 51 HA LYS 7 HA LYS 7 1.834 -7.902 3.982 52 1HB LYS 7 2HB LYS 7 2.752 -9.859 5.417 53 2HB LYS 7 1HB LYS 7 2.605 -8.752 6.781 54 1HG LYS 7 2HG LYS 7 0.256 -8.548 6.495 55 2HG LYS 7 1HG LYS 7 0.317 -9.276 4.892 56 1HD LYS 7 2HD LYS 7 1.399 -11.284 6.390 57 2HD LYS 7 1HD LYS 7 0.277 -10.574 7.552 58 1HE LYS 7 2HE LYS 7 -0.444 -11.438 4.733 59 2HE LYS 7 1HE LYS 7 -0.808 -12.353 6.196 60 1HZ LYS 7 1HZ LYS 7 -2.367 -10.838 6.870 61 2HZ LYS 7 2HZ LYS 7 -2.552 -10.720 5.185 62 3HZ LYS 7 3HZ LYS 7 -1.659 -9.548 6.029 63 H GLU 8 H GLU 8 3.930 -6.643 6.502 64 HA GLU 8 HA GLU 8 2.022 -4.788 7.505 65 1HB GLU 8 2HB GLU 8 4.999 -5.119 7.882 66 2HB GLU 8 1HB GLU 8 4.073 -3.830 8.671 67 1HG GLU 8 2HG GLU 8 2.668 -5.445 9.807 68 2HG GLU 8 1HG GLU 8 3.389 -6.776 8.912 69 H LEU 9 H LEU 9 4.642 -4.641 5.210 70 HA LEU 9 HA LEU 9 4.764 -1.830 4.743 71 1HB LEU 9 2HB LEU 9 6.511 -3.273 3.891 72 2HB LEU 9 1HB LEU 9 5.349 -4.230 2.980 73 HG LEU 9 HG LEU 9 4.791 -2.019 1.745 74 1HD1 LEU 9 1HD1 LEU 9 6.673 -0.967 3.568 75 2HD1 LEU 9 2HD1 LEU 9 5.983 -0.188 2.136 76 3HD1 LEU 9 3HD1 LEU 9 7.494 -1.041 2.001 77 1HD2 LEU 9 1HD2 LEU 9 7.443 -3.414 1.444 78 2HD2 LEU 9 2HD2 LEU 9 6.743 -2.324 0.245 79 3HD2 LEU 9 3HD2 LEU 9 5.921 -3.826 0.661 80 H GLY 10 H GLY 10 2.758 -4.428 3.450 81 1HA GLY 10 2HA GLY 10 1.380 -2.756 1.634 82 2HA GLY 10 1HA GLY 10 0.917 -4.368 2.137 83 H TRP 11 H TRP 11 0.821 -3.991 4.900 84 HA TRP 11 HA TRP 11 -1.731 -2.858 5.042 85 1HB TRP 11 2HB TRP 11 -0.584 -4.758 6.495 86 2HB TRP 11 1HB TRP 11 -0.426 -3.377 7.592 87 HD1 TRP 11 HD TRP 11 -2.318 -4.048 9.199 88 HE1 TRP 11 1HE TRP 11 -4.887 -4.175 9.028 89 HE3 TRP 11 3HE TRP 11 -2.945 -3.631 4.134 90 HZ2 TRP 11 2HZ TRP 11 -6.917 -4.052 7.036 91 HZ3 TRP 11 3HZ TRP 11 -5.153 -3.612 3.128 92 HH2 TRP 11 HH TRP 11 -7.183 -3.840 4.573 93 H ALA 12 H ALA 12 1.264 -1.717 6.450 94 HA ALA 12 HA ALA 12 0.072 0.448 7.690 95 1HB ALA 12 1HB ALA 12 2.209 0.784 8.326 96 2HB ALA 12 2HB ALA 12 2.656 1.229 6.680 97 3HB ALA 12 3HB ALA 12 2.720 -0.458 7.191 98 H THR 13 H THR 13 1.129 -0.094 4.375 99 HA THR 13 HA THR 13 0.793 2.457 3.229 100 HB THR 13 HB THR 13 0.512 -0.343 2.213 101 HG1 THR 13 1HG THR 13 2.550 -0.024 2.229 102 1HG2 THR 13 1HG2 THR 13 0.049 2.250 0.767 103 2HG2 THR 13 2HG2 THR 13 -0.911 0.771 0.719 104 3HG2 THR 13 3HG2 THR 13 0.659 0.826 -0.079 105 H TRP 14 H TRP 14 -1.485 -0.214 3.684 106 HA TRP 14 HA TRP 14 -3.766 1.026 2.551 107 1HB TRP 14 2HB TRP 14 -3.412 -1.420 3.074 108 2HB TRP 14 1HB TRP 14 -3.709 -1.030 4.755 109 HD1 TRP 14 HD TRP 14 -6.137 -0.752 5.528 110 HE1 TRP 14 1HE TRP 14 -8.422 -1.020 4.377 111 HE3 TRP 14 3HE TRP 14 -4.675 -0.852 0.626 112 HZ2 TRP 14 2HZ TRP 14 -9.473 -1.254 1.735 113 HZ3 TRP 14 3HZ TRP 14 -6.316 -1.116 -1.143 114 HH2 TRP 14 HH TRP 14 -8.686 -1.321 -0.605 115 H GLU 15 H GLU 15 -2.657 0.704 5.904 116 HA GLU 15 HA GLU 15 -4.856 1.949 7.127 117 1HB GLU 15 2HB GLU 15 -1.968 1.687 8.004 118 2HB GLU 15 1HB GLU 15 -3.288 2.207 9.057 119 1HG GLU 15 2HG GLU 15 -4.425 0.095 8.830 120 2HG GLU 15 1HG GLU 15 -3.373 -0.416 7.513 121 H ILE 16 H ILE 16 -1.886 3.243 5.741 122 HA ILE 16 HA ILE 16 -2.315 5.992 6.534 123 HB ILE 16 HB ILE 16 -0.626 4.720 4.326 124 1HG1 ILE 16 2HG1 ILE 16 0.236 5.896 6.964 125 2HG1 ILE 16 1HG1 ILE 16 -0.053 4.195 6.743 126 1HG2 ILE 16 1HG2 ILE 16 -1.189 7.537 4.954 127 2HG2 ILE 16 2HG2 ILE 16 -0.460 6.828 3.517 128 3HG2 ILE 16 3HG2 ILE 16 0.532 7.154 4.933 129 1HD1 ILE 16 1HD1 ILE 16 1.703 5.286 4.662 130 2HD1 ILE 16 2HD1 ILE 16 1.948 3.894 5.725 131 3HD1 ILE 16 3HD1 ILE 16 2.365 5.507 6.288 132 H PHE 17 H PHE 17 -3.043 3.918 3.818 133 HA PHE 17 HA PHE 17 -4.085 5.765 1.947 134 1HB PHE 17 2HB PHE 17 -3.474 3.162 1.896 135 2HB PHE 17 1HB PHE 17 -5.185 2.998 2.201 136 HD1 PHE 17 1HD PHE 17 -2.641 4.312 -0.162 137 HD2 PHE 17 2HD PHE 17 -6.791 3.445 0.509 138 HE1 PHE 17 1HE PHE 17 -3.069 4.525 -2.585 139 HE2 PHE 17 2HE PHE 17 -7.235 3.670 -1.911 140 HZ PHE 17 HZ PHE 17 -5.366 4.198 -3.451 141 H ASN 18 H ASN 18 -5.476 3.971 4.627 142 HA ASN 18 HA ASN 18 -8.199 4.828 4.088 143 1HB ASN 18 2HB ASN 18 -6.964 3.120 6.253 144 2HB ASN 18 1HB ASN 18 -8.683 3.483 6.158 145 1HD2 ASN 18 1HD2 ASN 18 -9.441 1.386 5.622 146 2HD2 ASN 18 2HD2 ASN 18 -9.013 0.581 4.193 147 H LEU 19 H LEU 19 -5.693 6.510 5.445 148 HA LEU 19 HA LEU 19 -6.908 7.349 7.866 149 1HB LEU 19 2HB LEU 19 -4.557 8.184 6.311 150 2HB LEU 19 1HB LEU 19 -5.268 9.441 7.318 151 HG LEU 19 HG LEU 19 -4.438 6.678 8.289 152 1HD1 LEU 19 1HD1 LEU 19 -3.210 9.408 8.413 153 2HD1 LEU 19 2HD1 LEU 19 -2.472 7.895 7.893 154 3HD1 LEU 19 3HD1 LEU 19 -2.807 8.174 9.598 155 1HD2 LEU 19 1HD2 LEU 19 -5.823 7.165 10.012 156 2HD2 LEU 19 2HD2 LEU 19 -6.065 8.816 9.449 157 3HD2 LEU 19 3HD2 LEU 19 -4.671 8.428 10.444 158 HA PRO 20 HA PRO 20 -9.850 10.103 5.988 159 1HB PRO 20 2HB PRO 20 -10.576 11.116 8.597 160 2HB PRO 20 1HB PRO 20 -11.413 9.892 7.627 161 1HG PRO 20 2HG PRO 20 -10.182 9.383 9.998 162 2HG PRO 20 1HG PRO 20 -10.396 8.172 8.716 163 1HD PRO 20 2HD PRO 20 -7.971 9.862 9.312 164 2HD PRO 20 1HD PRO 20 -8.066 8.118 8.995 165 H ASN 21 H ASN 21 -6.926 11.268 6.916 166 HA ASN 21 HA ASN 21 -7.862 14.053 6.515 167 1HB ASN 21 2HB ASN 21 -6.325 13.079 8.905 168 2HB ASN 21 1HB ASN 21 -6.303 14.766 8.411 169 1HD2 ASN 21 1HD2 ASN 21 -7.926 12.620 10.412 170 2HD2 ASN 21 2HD2 ASN 21 -9.391 13.463 10.561 171 H LEU 22 H LEU 22 -5.723 11.726 5.566 172 HA LEU 22 HA LEU 22 -3.451 13.506 5.160 173 1HB LEU 22 2HB LEU 22 -3.914 10.658 4.276 174 2HB LEU 22 1HB LEU 22 -2.403 11.553 4.089 175 HG LEU 22 HG LEU 22 -3.782 10.973 6.730 176 1HD1 LEU 22 1HD1 LEU 22 -2.839 8.954 5.997 177 2HD1 LEU 22 2HD1 LEU 22 -1.610 9.654 7.045 178 3HD1 LEU 22 3HD1 LEU 22 -1.436 9.751 5.296 179 1HD2 LEU 22 1HD2 LEU 22 -1.421 12.617 5.919 180 2HD2 LEU 22 2HD2 LEU 22 -1.311 11.695 7.414 181 3HD2 LEU 22 3HD2 LEU 22 -2.589 12.896 7.218 182 H ASN 23 H ASN 23 -2.608 14.143 3.183 183 HA ASN 23 HA ASN 23 -4.645 14.465 1.100 184 1HB ASN 23 2HB ASN 23 -3.552 16.375 0.480 185 2HB ASN 23 1HB ASN 23 -2.962 16.289 2.134 186 1HD2 ASN 23 1HD2 ASN 23 -0.684 16.003 2.424 187 2HD2 ASN 23 2HD2 ASN 23 0.395 15.813 1.125 188 H GLY 24 H GLY 24 -4.085 14.041 -1.150 189 1HA GLY 24 2HA GLY 24 -3.329 11.470 -1.697 190 2HA GLY 24 1HA GLY 24 -3.210 12.773 -2.872 191 H VAL 25 H VAL 25 -1.190 14.316 -1.719 192 HA VAL 25 HA VAL 25 1.136 12.911 -2.566 193 HB VAL 25 HB VAL 25 0.892 15.534 -1.085 194 1HG1 VAL 25 1HG1 VAL 25 3.199 14.084 -2.382 195 2HG1 VAL 25 2HG1 VAL 25 3.137 14.854 -0.795 196 3HG1 VAL 25 3HG1 VAL 25 3.193 15.843 -2.253 197 1HG2 VAL 25 1HG2 VAL 25 0.929 14.701 -3.985 198 2HG2 VAL 25 2HG2 VAL 25 1.419 16.328 -3.498 199 3HG2 VAL 25 3HG2 VAL 25 -0.216 15.764 -3.161 200 H GLN 26 H GLN 26 -0.033 13.887 0.707 201 HA GLN 26 HA GLN 26 2.254 12.921 2.034 202 1HB GLN 26 2HB GLN 26 -0.413 13.828 2.807 203 2HB GLN 26 1HB GLN 26 0.240 12.586 3.874 204 1HG GLN 26 2HG GLN 26 2.049 13.887 4.537 205 2HG GLN 26 1HG GLN 26 2.064 14.816 3.032 206 1HE2 GLN 26 1HE2 GLN 26 -0.231 14.210 5.711 207 2HE2 GLN 26 2HE2 GLN 26 -0.698 15.831 5.878 208 H VAL 27 H VAL 27 -0.794 11.326 1.169 209 HA VAL 27 HA VAL 27 -0.213 8.844 2.426 210 HB VAL 27 HB VAL 27 -1.899 9.392 -0.040 211 1HG1 VAL 27 1HG1 VAL 27 -3.004 7.226 0.676 212 2HG1 VAL 27 2HG1 VAL 27 -1.667 6.996 1.806 213 3HG1 VAL 27 3HG1 VAL 27 -1.359 7.035 0.069 214 1HG2 VAL 27 1HG2 VAL 27 -3.784 9.395 1.531 215 2HG2 VAL 27 2HG2 VAL 27 -2.612 10.614 2.024 216 3HG2 VAL 27 3HG2 VAL 27 -2.693 9.074 2.879 217 H LYS 28 H LYS 28 0.385 10.117 -0.813 218 HA LYS 28 HA LYS 28 1.656 7.841 -1.911 219 1HB LYS 28 2HB LYS 28 1.722 10.792 -2.586 220 2HB LYS 28 1HB LYS 28 2.702 9.619 -3.467 221 1HG LYS 28 2HG LYS 28 0.751 8.391 -4.166 222 2HG LYS 28 1HG LYS 28 -0.294 9.345 -3.118 223 1HD LYS 28 2HD LYS 28 0.275 11.377 -4.425 224 2HD LYS 28 1HD LYS 28 1.289 10.394 -5.485 225 1HE LYS 28 2HE LYS 28 -0.910 10.711 -6.507 226 2HE LYS 28 1HE LYS 28 -0.685 9.018 -6.064 227 1HZ LYS 28 1HZ LYS 28 -1.845 10.665 -3.992 228 2HZ LYS 28 2HZ LYS 28 -2.297 9.119 -4.534 229 3HZ LYS 28 3HZ LYS 28 -2.814 10.503 -5.374 230 H ALA 29 H ALA 29 2.813 10.512 0.033 231 HA ALA 29 HA ALA 29 5.584 10.053 -0.278 232 1HB ALA 29 1HB ALA 29 4.485 12.179 0.545 233 2HB ALA 29 2HB ALA 29 5.874 11.620 1.475 234 3HB ALA 29 3HB ALA 29 4.240 11.340 2.076 235 H PHE 30 H PHE 30 3.186 9.124 2.132 236 HA PHE 30 HA PHE 30 4.983 7.815 3.827 237 1HB PHE 30 2HB PHE 30 2.020 7.411 3.429 238 2HB PHE 30 1HB PHE 30 2.971 6.742 4.752 239 HD1 PHE 30 1HD PHE 30 0.658 9.167 4.266 240 HD2 PHE 30 2HD PHE 30 4.748 8.855 5.622 241 HE1 PHE 30 1HE PHE 30 0.414 11.259 5.534 242 HE2 PHE 30 2HE PHE 30 4.472 10.965 6.864 243 HZ PHE 30 HZ PHE 30 2.315 12.149 6.818 244 H ILE 31 H ILE 31 3.090 6.922 1.008 245 HA ILE 31 HA ILE 31 3.713 4.158 1.027 246 HB ILE 31 HB ILE 31 2.789 6.058 -1.119 247 1HG1 ILE 31 2HG1 ILE 31 1.582 3.538 0.074 248 2HG1 ILE 31 1HG1 ILE 31 1.164 5.178 0.551 249 1HG2 ILE 31 1HG2 ILE 31 4.012 4.727 -2.569 250 2HG2 ILE 31 2HG2 ILE 31 2.573 3.720 -2.435 251 3HG2 ILE 31 3HG2 ILE 31 4.004 3.337 -1.486 252 1HD1 ILE 31 1HD1 ILE 31 -0.459 4.168 -1.065 253 2HD1 ILE 31 2HD1 ILE 31 0.840 4.087 -2.256 254 3HD1 ILE 31 3HD1 ILE 31 0.287 5.653 -1.662 255 H ASP 32 H ASP 32 5.158 6.965 -0.521 256 HA ASP 32 HA ASP 32 7.218 5.573 -1.820 257 1HB ASP 32 2HB ASP 32 6.964 8.454 -0.927 258 2HB ASP 32 1HB ASP 32 8.325 7.871 -1.888 259 H SER 33 H SER 33 7.019 6.947 1.371 260 HA SER 33 HA SER 33 9.748 6.527 2.107 261 1HB SER 33 2HB SER 33 7.259 6.767 3.823 262 2HB SER 33 1HB SER 33 8.924 6.860 4.403 263 HG SER 33 HG SER 33 7.678 8.569 2.505 264 H LEU 34 H LEU 34 6.778 4.721 2.270 265 HA LEU 34 HA LEU 34 7.546 2.405 3.750 266 1HB LEU 34 2HB LEU 34 5.402 3.322 1.940 267 2HB LEU 34 1HB LEU 34 5.693 1.613 1.896 268 HG LEU 34 HG LEU 34 5.626 2.616 4.606 269 1HD1 LEU 34 1HD1 LEU 34 2.964 2.671 4.308 270 2HD1 LEU 34 2HD1 LEU 34 3.421 3.304 2.734 271 3HD1 LEU 34 3HD1 LEU 34 3.940 4.132 4.198 272 1HD2 LEU 34 1HD2 LEU 34 3.833 0.766 4.631 273 2HD2 LEU 34 2HD2 LEU 34 5.488 0.323 4.245 274 3HD2 LEU 34 3HD2 LEU 34 4.316 0.486 2.957 275 H ARG 35 H ARG 35 7.387 3.102 0.317 276 HA ARG 35 HA ARG 35 8.467 0.728 -0.725 277 1HB ARG 35 2HB ARG 35 8.561 3.566 -1.765 278 2HB ARG 35 1HB ARG 35 8.993 2.149 -2.719 279 1HG ARG 35 2HG ARG 35 6.758 1.269 -2.532 280 2HG ARG 35 1HG ARG 35 6.321 2.506 -1.385 281 1HD ARG 35 2HD ARG 35 5.402 3.233 -3.447 282 2HD ARG 35 1HD ARG 35 6.829 4.221 -3.179 283 HE ARG 35 HE ARG 35 7.765 3.261 -5.041 284 1HH1 ARG 35 1HH2 ARG 35 5.436 1.099 -3.703 285 2HH1 ARG 35 2HH2 ARG 35 5.379 0.079 -5.109 286 1HH2 ARG 35 1HH1 ARG 35 7.539 2.068 -6.955 287 2HH2 ARG 35 2HH1 ARG 35 6.579 0.629 -6.945 288 H ASP 36 H ASP 36 10.007 3.778 0.202 289 HA ASP 36 HA ASP 36 12.659 3.075 -0.524 290 1HB ASP 36 2HB ASP 36 11.813 5.400 -0.231 291 2HB ASP 36 1HB ASP 36 11.766 5.095 1.494 292 H ASP 37 H ASP 37 10.798 2.910 2.435 293 HA ASP 37 HA ASP 37 12.717 1.014 3.562 294 1HB ASP 37 2HB ASP 37 13.237 3.387 4.377 295 2HB ASP 37 1HB ASP 37 11.698 3.321 5.226 296 HA PRO 38 HA PRO 38 8.501 -0.473 4.084 297 1HB PRO 38 2HB PRO 38 9.581 -3.123 4.114 298 2HB PRO 38 1HB PRO 38 8.602 -2.345 2.881 299 1HG PRO 38 2HG PRO 38 11.267 -3.059 2.647 300 2HG PRO 38 1HG PRO 38 10.374 -1.970 1.576 301 1HD PRO 38 2HD PRO 38 12.346 -1.320 3.682 302 2HD PRO 38 1HD PRO 38 11.851 -0.379 2.256 303 H SER 39 H SER 39 11.394 -1.373 5.854 304 HA SER 39 HA SER 39 10.128 -2.666 8.041 305 1HB SER 39 2HB SER 39 12.598 -2.747 7.544 306 2HB SER 39 1HB SER 39 12.715 -1.077 8.090 307 HG SER 39 HG SER 39 11.348 -2.644 9.844 308 H GLN 40 H GLN 40 10.693 0.608 7.102 309 HA GLN 40 HA GLN 40 9.937 1.801 9.622 310 1HB GLN 40 2HB GLN 40 11.644 2.704 7.947 311 2HB GLN 40 1HB GLN 40 10.270 3.165 6.948 312 1HG GLN 40 2HG GLN 40 9.410 4.578 8.763 313 2HG GLN 40 1HG GLN 40 10.742 4.085 9.802 314 1HE2 GLN 40 1HE2 GLN 40 12.287 4.225 6.931 315 2HE2 GLN 40 2HE2 GLN 40 12.724 5.864 6.894 316 H SER 41 H SER 41 8.168 0.323 7.236 317 HA SER 41 HA SER 41 6.152 1.989 6.425 318 1HB SER 41 2HB SER 41 4.749 -0.024 6.291 319 2HB SER 41 1HB SER 41 6.392 -0.387 5.777 320 HG SER 41 HG SER 41 6.732 -1.485 7.604 321 H ALA 42 H ALA 42 6.442 0.414 9.582 322 HA ALA 42 HA ALA 42 3.866 1.066 10.591 323 1HB ALA 42 1HB ALA 42 5.428 -0.637 11.550 324 2HB ALA 42 2HB ALA 42 4.826 0.512 12.746 325 3HB ALA 42 3HB ALA 42 6.459 0.691 12.093 326 H ASN 43 H ASN 43 6.990 2.597 10.591 327 HA ASN 43 HA ASN 43 6.438 4.726 12.345 328 1HB ASN 43 2HB ASN 43 8.540 3.853 10.482 329 2HB ASN 43 1HB ASN 43 8.481 5.593 10.780 330 1HD2 ASN 43 1HD2 ASN 43 10.221 5.870 12.238 331 2HD2 ASN 43 2HD2 ASN 43 10.368 5.034 13.706 332 H LEU 44 H LEU 44 6.162 4.249 8.931 333 HA LEU 44 HA LEU 44 5.667 6.961 8.181 334 1HB LEU 44 2HB LEU 44 5.167 4.331 6.747 335 2HB LEU 44 1HB LEU 44 5.254 5.938 5.995 336 HG LEU 44 HG LEU 44 7.470 4.865 7.726 337 1HD1 LEU 44 1HD1 LEU 44 7.711 3.323 6.120 338 2HD1 LEU 44 2HD1 LEU 44 8.579 4.650 5.350 339 3HD1 LEU 44 3HD1 LEU 44 6.911 4.302 4.892 340 1HD2 LEU 44 1HD2 LEU 44 7.137 7.137 5.839 341 2HD2 LEU 44 2HD2 LEU 44 8.717 6.593 6.404 342 3HD2 LEU 44 3HD2 LEU 44 7.513 7.174 7.558 343 H LEU 45 H LEU 45 3.913 4.141 8.931 344 HA LEU 45 HA LEU 45 1.283 5.102 8.422 345 1HB LEU 45 2HB LEU 45 1.511 2.756 8.627 346 2HB LEU 45 1HB LEU 45 2.443 2.891 10.112 347 HG LEU 45 HG LEU 45 0.449 3.688 11.311 348 1HD1 LEU 45 1HD1 LEU 45 -0.853 3.428 8.590 349 2HD1 LEU 45 2HD1 LEU 45 -0.756 4.864 9.605 350 3HD1 LEU 45 3HD1 LEU 45 -1.774 3.511 10.090 351 1HD2 LEU 45 1HD2 LEU 45 0.861 1.302 11.258 352 2HD2 LEU 45 2HD2 LEU 45 0.056 1.150 9.695 353 3HD2 LEU 45 3HD2 LEU 45 -0.877 1.572 11.133 354 H ALA 46 H ALA 46 3.529 5.159 11.055 355 HA ALA 46 HA ALA 46 1.899 6.297 13.048 356 1HB ALA 46 1HB ALA 46 3.861 6.517 14.294 357 2HB ALA 46 2HB ALA 46 4.827 6.876 12.860 358 3HB ALA 46 3HB ALA 46 4.301 5.223 13.179 359 H GLU 47 H GLU 47 4.159 7.586 10.725 360 HA GLU 47 HA GLU 47 3.994 10.305 11.350 361 1HB GLU 47 2HB GLU 47 4.701 8.680 8.944 362 2HB GLU 47 1HB GLU 47 4.620 10.436 8.817 363 1HG GLU 47 2HG GLU 47 6.433 8.767 10.554 364 2HG GLU 47 1HG GLU 47 6.882 9.843 9.237 365 H ALA 48 H ALA 48 2.191 8.179 9.253 366 HA ALA 48 HA ALA 48 0.648 10.144 7.976 367 1HB ALA 48 1HB ALA 48 -0.112 8.346 6.860 368 2HB ALA 48 2HB ALA 48 -0.602 7.537 8.347 369 3HB ALA 48 3HB ALA 48 1.058 7.428 7.795 370 H LYS 49 H LYS 49 0.052 8.016 10.755 371 HA LYS 49 HA LYS 49 -2.529 8.974 11.398 372 1HB LYS 49 2HB LYS 49 -0.345 7.829 13.171 373 2HB LYS 49 1HB LYS 49 -1.998 8.127 13.705 374 1HG LYS 49 2HG LYS 49 -1.475 6.448 11.253 375 2HG LYS 49 1HG LYS 49 -1.361 5.733 12.860 376 1HD LYS 49 2HD LYS 49 -3.658 6.331 13.354 377 2HD LYS 49 1HD LYS 49 -3.786 7.251 11.858 378 1HE LYS 49 2HE LYS 49 -3.425 5.175 10.554 379 2HE LYS 49 1HE LYS 49 -3.329 4.259 12.058 380 1HZ LYS 49 1HZ LYS 49 -5.635 5.655 12.324 381 2HZ LYS 49 2HZ LYS 49 -5.518 4.033 11.832 382 3HZ LYS 49 3HZ LYS 49 -5.633 5.268 10.673 383 H LYS 50 H LYS 50 0.714 10.171 11.983 384 HA LYS 50 HA LYS 50 -0.088 12.166 13.849 385 1HB LYS 50 2HB LYS 50 2.436 11.597 12.332 386 2HB LYS 50 1HB LYS 50 2.247 13.109 13.223 387 1HG LYS 50 2HG LYS 50 1.766 11.839 15.284 388 2HG LYS 50 1HG LYS 50 1.943 10.326 14.401 389 1HD LYS 50 2HD LYS 50 4.246 12.109 14.031 390 2HD LYS 50 1HD LYS 50 3.983 11.688 15.724 391 1HE LYS 50 2HE LYS 50 3.898 9.280 15.081 392 2HE LYS 50 1HE LYS 50 4.264 9.738 13.419 393 1HZ LYS 50 1HZ LYS 50 6.012 10.672 15.585 394 2HZ LYS 50 2HZ LYS 50 6.381 10.371 13.954 395 3HZ LYS 50 3HZ LYS 50 6.164 9.075 15.032 396 H LEU 51 H LEU 51 0.499 12.029 10.412 397 HA LEU 51 HA LEU 51 0.121 14.806 9.973 398 1HB LEU 51 2HB LEU 51 0.435 12.405 8.263 399 2HB LEU 51 1HB LEU 51 -0.429 13.764 7.552 400 HG LEU 51 HG LEU 51 1.888 14.015 7.010 401 1HD1 LEU 51 1HD1 LEU 51 0.443 15.996 8.064 402 2HD1 LEU 51 2HD1 LEU 51 2.114 16.224 7.554 403 3HD1 LEU 51 3HD1 LEU 51 1.743 15.958 9.256 404 1HD2 LEU 51 1HD2 LEU 51 3.510 14.353 9.038 405 2HD2 LEU 51 2HD2 LEU 51 3.101 12.717 8.538 406 3HD2 LEU 51 3HD2 LEU 51 2.299 13.436 9.934 407 H ASN 52 H ASN 52 -1.916 11.967 9.818 408 HA ASN 52 HA ASN 52 -4.248 13.160 8.824 409 1HB ASN 52 2HB ASN 52 -4.729 10.960 8.806 410 2HB ASN 52 1HB ASN 52 -3.387 10.621 9.879 411 1HD2 ASN 52 1HD2 ASN 52 -6.802 11.416 9.814 412 2HD2 ASN 52 2HD2 ASN 52 -7.134 10.882 11.387 413 H ASP 53 H ASP 53 -3.032 12.492 12.075 414 HA ASP 53 HA ASP 53 -5.199 13.583 13.493 415 1HB ASP 53 2HB ASP 53 -2.317 13.167 14.263 416 2HB ASP 53 1HB ASP 53 -3.501 13.830 15.381 417 H ALA 54 H ALA 54 -2.197 14.968 12.312 418 HA ALA 54 HA ALA 54 -2.482 17.535 13.445 419 1HB ALA 54 1HB ALA 54 -0.959 16.490 11.059 420 2HB ALA 54 2HB ALA 54 -0.327 16.893 12.654 421 3HB ALA 54 3HB ALA 54 -0.872 18.175 11.573 422 H GLN 55 H GLN 55 -3.522 16.060 10.419 423 HA GLN 55 HA GLN 55 -4.696 18.533 9.415 424 1HB GLN 55 2HB GLN 55 -4.480 15.706 8.389 425 2HB GLN 55 1HB GLN 55 -5.423 16.945 7.548 426 1HG GLN 55 2HG GLN 55 -3.480 18.324 7.229 427 2HG GLN 55 1HG GLN 55 -2.517 17.330 8.320 428 1HE2 GLN 55 1HE2 GLN 55 -2.551 14.857 7.561 429 2HE2 GLN 55 2HE2 GLN 55 -2.261 14.628 5.905 430 H ALA 56 H ALA 56 -5.627 16.366 11.708 431 HA ALA 56 HA ALA 56 -8.348 15.846 11.007 432 1HB ALA 56 1HB ALA 56 -8.607 15.057 13.252 433 2HB ALA 56 2HB ALA 56 -7.204 15.971 13.802 434 3HB ALA 56 3HB ALA 56 -6.989 14.583 12.737 435 HA PRO 57 HA PRO 57 -10.578 19.549 11.486 436 1HB PRO 57 2HB PRO 57 -12.391 18.497 13.448 437 2HB PRO 57 1HB PRO 57 -12.639 18.691 11.708 438 1HG PRO 57 2HG PRO 57 -11.812 16.325 13.228 439 2HG PRO 57 1HG PRO 57 -12.727 16.447 11.715 440 1HD PRO 57 2HD PRO 57 -10.202 15.639 11.660 441 2HD PRO 57 1HD PRO 57 -10.803 16.778 10.432 442 H LYS 58 H LYS 58 -10.672 21.246 12.721 443 HA LYS 58 HA LYS 58 -9.534 21.148 15.451 444 1HB LYS 58 2HB LYS 58 -9.340 23.437 13.536 445 2HB LYS 58 1HB LYS 58 -8.518 23.283 15.075 446 1HG LYS 58 2HG LYS 58 -8.085 21.449 12.689 447 2HG LYS 58 1HG LYS 58 -7.025 22.783 13.135 448 1HD LYS 58 2HD LYS 58 -6.664 21.696 15.365 449 2HD LYS 58 1HD LYS 58 -7.624 20.324 14.815 450 1HE LYS 58 2HE LYS 58 -5.418 19.640 14.362 451 2HE LYS 58 1HE LYS 58 -5.970 20.253 12.804 452 1HZ LYS 58 1HZ LYS 58 -4.993 22.445 13.522 453 2HZ LYS 58 2HZ LYS 58 -3.880 21.212 13.167 454 3HZ LYS 58 3HZ LYS 58 -4.232 21.603 14.782 455 1H VAL 1 1HT VAL 1 -16.457 -5.818 5.747 456 2H VAL 1 2HT VAL 1 -17.446 -6.998 5.029 457 3H VAL 1 3HT VAL 1 -18.145 -5.661 5.810 458 HA VAL 1 HA VAL 1 -18.311 -5.221 3.517 459 HB VAL 1 HB VAL 1 -15.903 -3.775 4.689 460 1HG1 VAL 1 1HG1 VAL 1 -15.965 -3.334 2.322 461 2HG1 VAL 1 2HG1 VAL 1 -16.679 -1.933 3.118 462 3HG1 VAL 1 3HG1 VAL 1 -17.717 -3.130 2.343 463 1HG2 VAL 1 1HG2 VAL 1 -18.882 -3.175 4.746 464 2HG2 VAL 1 2HG2 VAL 1 -17.632 -2.048 5.273 465 3HG2 VAL 1 3HG2 VAL 1 -17.862 -3.573 6.128 466 H ASP 2 H ASP 2 -14.808 -5.460 4.186 467 HA ASP 2 HA ASP 2 -14.156 -6.171 1.497 468 1HB ASP 2 2HB ASP 2 -12.513 -6.397 4.032 469 2HB ASP 2 1HB ASP 2 -11.886 -6.537 2.392 470 H ASN 3 H ASN 3 -13.417 -8.135 0.691 471 HA ASN 3 HA ASN 3 -14.757 -10.462 1.578 472 1HB ASN 3 2HB ASN 3 -12.387 -10.352 -0.299 473 2HB ASN 3 1HB ASN 3 -13.655 -11.576 -0.241 474 1HD2 ASN 3 1HD2 ASN 3 -16.010 -10.339 -0.384 475 2HD2 ASN 3 2HD2 ASN 3 -16.108 -9.254 -1.685 476 H LYS 4 H LYS 4 -13.263 -12.593 1.687 477 HA LYS 4 HA LYS 4 -11.912 -12.500 4.163 478 1HB LYS 4 2HB LYS 4 -11.117 -14.807 3.575 479 2HB LYS 4 1HB LYS 4 -12.860 -14.593 3.444 480 1HG LYS 4 2HG LYS 4 -12.806 -15.178 1.271 481 2HG LYS 4 1HG LYS 4 -11.659 -13.895 0.922 482 1HD LYS 4 2HD LYS 4 -10.794 -16.538 2.120 483 2HD LYS 4 1HD LYS 4 -10.902 -16.287 0.379 484 1HE LYS 4 2HE LYS 4 -9.458 -14.092 1.076 485 2HE LYS 4 1HE LYS 4 -8.929 -15.214 2.326 486 1HZ LYS 4 1HZ LYS 4 -7.491 -15.780 0.694 487 2HZ LYS 4 2HZ LYS 4 -8.536 -15.315 -0.563 488 3HZ LYS 4 3HZ LYS 4 -8.770 -16.796 0.236 489 H PHE 5 H PHE 5 -10.956 -11.469 1.150 490 HA PHE 5 HA PHE 5 -8.189 -12.064 1.206 491 1HB PHE 5 2HB PHE 5 -9.914 -10.187 -0.397 492 2HB PHE 5 1HB PHE 5 -8.160 -10.231 -0.594 493 HD1 PHE 5 1HD PHE 5 -7.214 -11.808 -2.046 494 HD2 PHE 5 2HD PHE 5 -11.123 -12.505 -0.404 495 HE1 PHE 5 1HE PHE 5 -7.408 -13.871 -3.400 496 HE2 PHE 5 2HE PHE 5 -11.322 -14.567 -1.774 497 HZ PHE 5 HZ PHE 5 -9.455 -15.252 -3.259 498 H ASN 6 H ASN 6 -9.729 -10.246 3.413 499 HA ASN 6 HA ASN 6 -8.384 -7.760 3.430 500 1HB ASN 6 2HB ASN 6 -10.234 -8.601 5.033 501 2HB ASN 6 1HB ASN 6 -8.929 -9.361 5.940 502 1HD2 ASN 6 1HD2 ASN 6 -7.208 -6.869 4.941 503 2HD2 ASN 6 2HD2 ASN 6 -7.633 -5.678 6.072 504 H LYS 7 H LYS 7 -7.423 -10.957 4.535 505 HA LYS 7 HA LYS 7 -4.851 -10.214 5.562 506 1HB LYS 7 2HB LYS 7 -5.960 -12.268 6.285 507 2HB LYS 7 1HB LYS 7 -5.996 -12.867 4.629 508 1HG LYS 7 2HG LYS 7 -3.478 -12.797 4.614 509 2HG LYS 7 1HG LYS 7 -3.531 -12.372 6.325 510 1HD LYS 7 2HD LYS 7 -4.623 -14.458 6.881 511 2HD LYS 7 1HD LYS 7 -4.823 -14.862 5.176 512 1HE LYS 7 2HE LYS 7 -2.097 -14.415 6.413 513 2HE LYS 7 1HE LYS 7 -2.871 -16.000 6.385 514 1HZ LYS 7 1HZ LYS 7 -2.301 -16.256 4.274 515 2HZ LYS 7 2HZ LYS 7 -1.418 -14.807 4.354 516 3HZ LYS 7 3HZ LYS 7 -3.035 -14.792 3.833 517 H GLU 8 H GLU 8 -6.017 -11.707 2.576 518 HA GLU 8 HA GLU 8 -3.548 -11.989 1.240 519 1HB GLU 8 2HB GLU 8 -6.349 -11.684 0.096 520 2HB GLU 8 1HB GLU 8 -4.953 -12.344 -0.760 521 1HG GLU 8 2HG GLU 8 -6.386 -13.519 1.639 522 2HG GLU 8 1HG GLU 8 -6.237 -14.217 0.027 523 H ARG 9 H ARG 9 -5.878 -9.384 1.334 524 HA ARG 9 HA ARG 9 -5.047 -7.871 -0.847 525 1HB ARG 9 2HB ARG 9 -7.173 -7.494 0.245 526 2HB ARG 9 1HB ARG 9 -6.368 -7.019 1.741 527 1HG ARG 9 2HG ARG 9 -5.434 -5.054 0.701 528 2HG ARG 9 1HG ARG 9 -5.967 -5.579 -0.892 529 1HD ARG 9 2HD ARG 9 -7.523 -3.910 -0.128 530 2HD ARG 9 1HD ARG 9 -8.341 -5.466 -0.042 531 HE ARG 9 HE ARG 9 -7.023 -4.640 2.418 532 1HH1 ARG 9 1HH2 ARG 9 -9.596 -3.327 0.740 533 2HH1 ARG 9 2HH2 ARG 9 -10.787 -3.604 1.964 534 1HH2 ARG 9 1HH1 ARG 9 -8.704 -5.575 3.909 535 2HH2 ARG 9 2HH1 ARG 9 -10.283 -4.882 3.758 536 H VAL 10 H VAL 10 -4.082 -7.628 2.614 537 HA VAL 10 HA VAL 10 -2.443 -5.378 2.219 538 HB VAL 10 HB VAL 10 -2.040 -5.381 4.406 539 1HG1 VAL 10 1HG1 VAL 10 -3.672 -6.372 5.758 540 2HG1 VAL 10 2HG1 VAL 10 -3.730 -7.840 4.770 541 3HG1 VAL 10 3HG1 VAL 10 -4.448 -6.344 4.166 542 1HG2 VAL 10 1HG2 VAL 10 -1.464 -8.336 4.450 543 2HG2 VAL 10 2HG2 VAL 10 -1.074 -7.142 5.698 544 3HG2 VAL 10 3HG2 VAL 10 -0.253 -7.086 4.136 545 H ILE 11 H ILE 11 -1.757 -8.814 1.888 546 HA ILE 11 HA ILE 11 1.054 -8.572 1.648 547 HB ILE 11 HB ILE 11 -0.682 -10.578 0.183 548 1HG1 ILE 11 2HG1 ILE 11 0.025 -10.280 3.073 549 2HG1 ILE 11 1HG1 ILE 11 -1.402 -11.000 2.340 550 1HG2 ILE 11 1HG2 ILE 11 2.120 -10.865 1.321 551 2HG2 ILE 11 2HG2 ILE 11 1.830 -10.326 -0.336 552 3HG2 ILE 11 3HG2 ILE 11 1.310 -11.931 0.171 553 1HD1 ILE 11 1HD1 ILE 11 -0.233 -12.843 3.274 554 2HD1 ILE 11 2HD1 ILE 11 1.330 -12.231 2.725 555 3HD1 ILE 11 3HD1 ILE 11 0.180 -12.894 1.560 556 H ALA 12 H ALA 12 -1.584 -8.244 -0.737 557 HA ALA 12 HA ALA 12 0.042 -7.930 -3.009 558 1HB ALA 12 1HB ALA 12 -2.146 -8.359 -3.619 559 2HB ALA 12 2HB ALA 12 -2.166 -6.597 -3.697 560 3HB ALA 12 3HB ALA 12 -2.803 -7.427 -2.277 561 H ILE 13 H ILE 13 -1.484 -5.652 -0.774 562 HA ILE 13 HA ILE 13 -0.607 -3.283 -2.016 563 HB ILE 13 HB ILE 13 -1.013 -3.862 0.946 564 1HG1 ILE 13 2HG1 ILE 13 -2.890 -2.580 -1.022 565 2HG1 ILE 13 1HG1 ILE 13 -2.923 -4.304 -0.683 566 1HG2 ILE 13 1HG2 ILE 13 0.147 -1.762 0.749 567 2HG2 ILE 13 2HG2 ILE 13 -1.560 -1.389 0.994 568 3HG2 ILE 13 3HG2 ILE 13 -0.846 -1.278 -0.617 569 1HD1 ILE 13 1HD1 ILE 13 -3.299 -2.096 1.326 570 2HD1 ILE 13 2HD1 ILE 13 -3.331 -3.808 1.697 571 3HD1 ILE 13 3HD1 ILE 13 -4.586 -3.107 0.673 572 H GLY 14 H GLY 14 0.826 -5.415 0.385 573 1HA GLY 14 2HA GLY 14 3.266 -4.094 0.802 574 2HA GLY 14 1HA GLY 14 3.009 -5.831 0.956 575 H GLU 15 H GLU 15 2.306 -6.467 -1.670 576 HA GLU 15 HA GLU 15 4.849 -6.748 -2.860 577 1HB GLU 15 2HB GLU 15 2.561 -8.072 -3.156 578 2HB GLU 15 1HB GLU 15 2.360 -6.942 -4.482 579 1HG GLU 15 2HG GLU 15 3.926 -7.970 -5.772 580 2HG GLU 15 1HG GLU 15 5.016 -8.191 -4.394 581 H ILE 16 H ILE 16 2.034 -4.615 -3.582 582 HA ILE 16 HA ILE 16 3.180 -3.430 -5.885 583 HB ILE 16 HB ILE 16 1.819 -1.493 -4.048 584 1HG1 ILE 16 2HG1 ILE 16 0.545 -3.656 -3.721 585 2HG1 ILE 16 1HG1 ILE 16 -0.389 -2.310 -4.310 586 1HG2 ILE 16 1HG2 ILE 16 1.518 -2.223 -6.960 587 2HG2 ILE 16 2HG2 ILE 16 2.359 -0.829 -6.296 588 3HG2 ILE 16 3HG2 ILE 16 0.611 -0.955 -6.153 589 1HD1 ILE 16 1HD1 ILE 16 -0.329 -3.132 -6.558 590 2HD1 ILE 16 2HD1 ILE 16 -0.842 -4.464 -5.518 591 3HD1 ILE 16 3HD1 ILE 16 0.816 -4.407 -6.121 592 H MET 17 H MET 17 3.346 -2.503 -2.514 593 HA MET 17 HA MET 17 5.091 -0.306 -2.702 594 1HB MET 17 2HB MET 17 4.680 -2.195 -0.404 595 2HB MET 17 1HB MET 17 5.277 -0.528 -0.333 596 1HG MET 17 2HG MET 17 2.576 -1.247 -1.480 597 2HG MET 17 1HG MET 17 2.800 -0.782 0.194 598 1HE MET 17 1HE MET 17 3.337 2.357 0.616 599 2HE MET 17 2HE MET 17 4.907 2.100 -0.148 600 3HE MET 17 3HE MET 17 4.180 0.805 0.824 601 H ARG 18 H ARG 18 5.695 -3.785 -2.532 602 HA ARG 18 HA ARG 18 8.494 -3.652 -2.033 603 1HB ARG 18 2HB ARG 18 6.745 -5.746 -3.239 604 2HB ARG 18 1HB ARG 18 8.471 -5.966 -3.102 605 1HG ARG 18 2HG ARG 18 6.828 -5.207 -0.702 606 2HG ARG 18 1HG ARG 18 6.942 -6.885 -1.215 607 1HD ARG 18 2HD ARG 18 9.296 -5.095 -0.593 608 2HD ARG 18 1HD ARG 18 8.612 -6.282 0.506 609 HE ARG 18 HE ARG 18 9.180 -7.947 -1.366 610 1HH1 ARG 18 1HH2 ARG 18 11.496 -7.309 0.425 611 2HH1 ARG 18 2HH2 ARG 18 12.739 -6.894 -0.706 612 1HH2 ARG 18 1HH1 ARG 18 10.542 -6.413 -3.340 613 2HH2 ARG 18 2HH1 ARG 18 12.199 -6.387 -2.838 614 H LEU 19 H LEU 19 6.504 -3.769 -4.942 615 HA LEU 19 HA LEU 19 8.522 -4.069 -6.865 616 1HB LEU 19 2HB LEU 19 5.885 -2.630 -7.080 617 2HB LEU 19 1HB LEU 19 6.890 -3.061 -8.433 618 HG LEU 19 HG LEU 19 5.768 -5.067 -6.478 619 1HD1 LEU 19 1HD1 LEU 19 4.117 -5.584 -8.206 620 2HD1 LEU 19 2HD1 LEU 19 4.777 -4.310 -9.230 621 3HD1 LEU 19 3HD1 LEU 19 3.975 -3.904 -7.716 622 1HD2 LEU 19 1HD2 LEU 19 6.887 -6.611 -7.632 623 2HD2 LEU 19 2HD2 LEU 19 7.797 -5.281 -8.337 624 3HD2 LEU 19 3HD2 LEU 19 6.389 -5.925 -9.174 625 HA PRO 20 HA PRO 20 10.273 0.017 -6.229 626 1HB PRO 20 2HB PRO 20 12.544 -0.823 -7.791 627 2HB PRO 20 1HB PRO 20 12.440 -0.588 -6.044 628 1HG PRO 20 2HG PRO 20 12.807 -2.995 -7.281 629 2HG PRO 20 1HG PRO 20 12.139 -2.784 -5.654 630 1HD PRO 20 2HD PRO 20 10.705 -3.298 -8.230 631 2HD PRO 20 1HD PRO 20 10.366 -3.914 -6.596 632 H ASN 21 H ASN 21 9.404 -1.535 -9.193 633 HA ASN 21 HA ASN 21 10.256 0.712 -10.852 634 1HB ASN 21 2HB ASN 21 8.754 -1.778 -11.644 635 2HB ASN 21 1HB ASN 21 9.478 -0.606 -12.728 636 1HD2 ASN 21 1HD2 ASN 21 10.117 -3.557 -12.267 637 2HD2 ASN 21 2HD2 ASN 21 11.784 -3.578 -11.948 638 H LEU 22 H LEU 22 7.371 -0.334 -9.180 639 HA LEU 22 HA LEU 22 5.508 1.006 -10.880 640 1HB LEU 22 2HB LEU 22 5.202 0.317 -7.960 641 2HB LEU 22 1HB LEU 22 3.912 0.835 -9.021 642 HG LEU 22 HG LEU 22 5.491 -1.732 -9.115 643 1HD1 LEU 22 1HD1 LEU 22 2.587 -0.972 -8.761 644 2HD1 LEU 22 2HD1 LEU 22 3.602 -1.927 -7.685 645 3HD1 LEU 22 3HD1 LEU 22 3.060 -2.607 -9.222 646 1HD2 LEU 22 1HD2 LEU 22 5.415 -1.139 -11.369 647 2HD2 LEU 22 2HD2 LEU 22 3.827 -0.369 -11.191 648 3HD2 LEU 22 3HD2 LEU 22 3.965 -2.117 -11.153 649 H ASN 23 H ASN 23 4.335 2.865 -10.489 650 HA ASN 23 HA ASN 23 5.912 5.082 -9.444 651 1HB ASN 23 2HB ASN 23 5.045 5.775 -11.437 652 2HB ASN 23 1HB ASN 23 3.746 4.631 -11.398 653 1HD2 ASN 23 1HD2 ASN 23 4.676 7.504 -9.467 654 2HD2 ASN 23 2HD2 ASN 23 3.135 8.202 -9.520 655 H SER 24 H SER 24 4.924 6.652 -7.952 656 HA SER 24 HA SER 24 3.738 5.489 -5.683 657 1HB SER 24 2HB SER 24 3.297 7.802 -4.948 658 2HB SER 24 1HB SER 24 4.920 7.657 -5.620 659 HG SER 24 HG SER 24 3.943 9.454 -6.511 660 H LEU 25 H LEU 25 2.345 7.283 -8.376 661 HA LEU 25 HA LEU 25 -0.340 7.141 -7.490 662 1HB LEU 25 2HB LEU 25 1.070 8.301 -9.703 663 2HB LEU 25 1HB LEU 25 -0.325 7.438 -10.286 664 HG LEU 25 HG LEU 25 -0.292 9.565 -8.191 665 1HD1 LEU 25 1HD1 LEU 25 -1.653 10.823 -9.816 666 2HD1 LEU 25 2HD1 LEU 25 -1.530 9.479 -10.951 667 3HD1 LEU 25 3HD1 LEU 25 -0.089 10.394 -10.508 668 1HD2 LEU 25 1HD2 LEU 25 -2.255 7.501 -8.950 669 2HD2 LEU 25 2HD2 LEU 25 -2.912 9.127 -8.744 670 3HD2 LEU 25 3HD2 LEU 25 -2.058 8.343 -7.415 671 H GLN 26 H GLN 26 1.668 5.124 -9.604 672 HA GLN 26 HA GLN 26 -0.411 3.490 -10.601 673 1HB GLN 26 2HB GLN 26 2.539 3.096 -10.211 674 2HB GLN 26 1HB GLN 26 1.520 1.792 -10.810 675 1HG GLN 26 2HG GLN 26 0.789 3.223 -12.684 676 2HG GLN 26 1HG GLN 26 1.816 4.534 -12.081 677 1HE2 GLN 26 1HE2 GLN 26 3.529 1.812 -11.332 678 2HE2 GLN 26 2HE2 GLN 26 4.449 1.664 -12.748 679 H VAL 27 H VAL 27 1.670 3.350 -7.792 680 HA VAL 27 HA VAL 27 0.810 0.850 -6.829 681 HB VAL 27 HB VAL 27 2.123 3.197 -5.470 682 1HG1 VAL 27 1HG1 VAL 27 1.090 0.618 -4.370 683 2HG1 VAL 27 2HG1 VAL 27 1.315 2.170 -3.570 684 3HG1 VAL 27 3HG1 VAL 27 2.698 1.116 -3.847 685 1HG2 VAL 27 1HG2 VAL 27 4.014 2.302 -6.322 686 2HG2 VAL 27 2HG2 VAL 27 2.994 1.223 -7.276 687 3HG2 VAL 27 3HG2 VAL 27 3.594 0.705 -5.703 688 H VAL 28 H VAL 28 -0.138 4.150 -6.137 689 HA VAL 28 HA VAL 28 -2.164 3.546 -4.291 690 HB VAL 28 HB VAL 28 -1.928 5.880 -6.218 691 1HG1 VAL 28 1HG1 VAL 28 -3.893 6.594 -5.387 692 2HG1 VAL 28 2HG1 VAL 28 -3.310 6.401 -3.732 693 3HG1 VAL 28 3HG1 VAL 28 -4.053 5.043 -4.572 694 1HG2 VAL 28 1HG2 VAL 28 -0.273 5.188 -4.045 695 2HG2 VAL 28 2HG2 VAL 28 -1.383 6.384 -3.380 696 3HG2 VAL 28 3HG2 VAL 28 -0.400 6.781 -4.792 697 H ALA 29 H ALA 29 -1.968 3.539 -7.802 698 HA ALA 29 HA ALA 29 -4.704 3.391 -8.457 699 1HB ALA 29 1HB ALA 29 -3.960 3.049 -10.597 700 2HB ALA 29 2HB ALA 29 -2.798 1.808 -10.111 701 3HB ALA 29 3HB ALA 29 -2.405 3.516 -9.912 702 H PHE 30 H PHE 30 -2.256 0.892 -7.783 703 HA PHE 30 HA PHE 30 -4.044 -1.259 -8.128 704 1HB PHE 30 2HB PHE 30 -1.289 -1.007 -6.864 705 2HB PHE 30 1HB PHE 30 -2.134 -2.542 -7.116 706 HD1 PHE 30 1HD PHE 30 -3.311 -2.535 -9.719 707 HD2 PHE 30 2HD PHE 30 0.365 -0.589 -8.522 708 HE1 PHE 30 1HE PHE 30 -2.565 -2.447 -12.047 709 HE2 PHE 30 2HE PHE 30 1.066 -0.531 -10.869 710 HZ PHE 30 HZ PHE 30 -0.386 -1.470 -12.635 711 H ILE 31 H ILE 31 -2.798 0.515 -5.286 712 HA ILE 31 HA ILE 31 -4.045 -1.048 -3.299 713 HB ILE 31 HB ILE 31 -3.392 1.917 -3.307 714 1HG1 ILE 31 2HG1 ILE 31 -1.865 -0.372 -2.032 715 2HG1 ILE 31 1HG1 ILE 31 -1.482 0.231 -3.635 716 1HG2 ILE 31 1HG2 ILE 31 -3.423 1.649 -0.821 717 2HG2 ILE 31 2HG2 ILE 31 -4.058 0.020 -1.042 718 3HG2 ILE 31 3HG2 ILE 31 -5.014 1.408 -1.549 719 1HD1 ILE 31 1HD1 ILE 31 -1.461 1.855 -1.065 720 2HD1 ILE 31 2HD1 ILE 31 -1.156 2.503 -2.681 721 3HD1 ILE 31 3HD1 ILE 31 -0.032 1.334 -1.973 722 H ASN 32 H ASN 32 -5.149 1.820 -5.053 723 HA ASN 32 HA ASN 32 -7.674 2.148 -3.856 724 1HB ASN 32 2HB ASN 32 -6.479 2.935 -6.485 725 2HB ASN 32 1HB ASN 32 -8.226 3.017 -6.332 726 1HD2 ASN 32 1HD2 ASN 32 -5.736 5.045 -6.230 727 2HD2 ASN 32 2HD2 ASN 32 -6.217 6.094 -4.986 728 H SER 33 H SER 33 -6.619 -0.114 -6.381 729 HA SER 33 HA SER 33 -9.280 -0.798 -7.145 730 1HB SER 33 2HB SER 33 -6.566 -1.610 -7.905 731 2HB SER 33 1HB SER 33 -7.860 -2.779 -8.193 732 HG SER 33 HG SER 33 -8.979 -1.042 -9.259 733 H LEU 34 H LEU 34 -6.964 -1.937 -4.782 734 HA LEU 34 HA LEU 34 -8.219 -4.451 -4.257 735 1HB LEU 34 2HB LEU 34 -6.967 -2.823 -2.056 736 2HB LEU 34 1HB LEU 34 -6.930 -4.560 -2.303 737 HG LEU 34 HG LEU 34 -5.424 -2.483 -3.896 738 1HD1 LEU 34 1HD1 LEU 34 -3.500 -3.217 -2.879 739 2HD1 LEU 34 2HD1 LEU 34 -4.196 -4.786 -2.436 740 3HD1 LEU 34 3HD1 LEU 34 -4.671 -3.326 -1.562 741 1HD2 LEU 34 1HD2 LEU 34 -5.851 -5.397 -4.314 742 2HD2 LEU 34 2HD2 LEU 34 -4.364 -4.652 -4.852 743 3HD2 LEU 34 3HD2 LEU 34 -5.910 -4.102 -5.482 744 H ARG 35 H ARG 35 -8.508 -1.157 -3.116 745 HA ARG 35 HA ARG 35 -10.604 -1.375 -1.236 746 1HB ARG 35 2HB ARG 35 -9.223 0.695 -2.703 747 2HB ARG 35 1HB ARG 35 -10.949 1.014 -2.762 748 1HG ARG 35 2HG ARG 35 -10.934 1.744 -0.641 749 2HG ARG 35 1HG ARG 35 -10.205 0.246 -0.075 750 1HD ARG 35 2HD ARG 35 -7.999 1.279 -1.076 751 2HD ARG 35 1HD ARG 35 -8.882 2.797 -0.936 752 HE ARG 35 HE ARG 35 -7.682 1.374 1.197 753 1HH1 ARG 35 1HH2 ARG 35 -8.306 4.232 1.489 754 2HH1 ARG 35 2HH2 ARG 35 -9.638 4.246 2.596 755 1HH2 ARG 35 1HH1 ARG 35 -10.385 0.895 2.148 756 2HH2 ARG 35 2HH1 ARG 35 -10.814 2.357 2.970 757 H ASP 36 H ASP 36 -10.640 -0.813 -4.733 758 HA ASP 36 HA ASP 36 -13.424 -0.633 -5.105 759 1HB ASP 36 2HB ASP 36 -11.723 0.069 -6.774 760 2HB ASP 36 1HB ASP 36 -11.317 -1.621 -7.053 761 H ASP 37 H ASP 37 -11.209 -3.380 -5.143 762 HA ASP 37 HA ASP 37 -13.370 -5.234 -4.605 763 1HB ASP 37 2HB ASP 37 -12.172 -4.970 -7.304 764 2HB ASP 37 1HB ASP 37 -12.290 -6.611 -6.682 765 HA PRO 38 HA PRO 38 -9.567 -6.509 -2.536 766 1HB PRO 38 2HB PRO 38 -11.239 -7.940 -0.686 767 2HB PRO 38 1HB PRO 38 -10.277 -6.490 -0.402 768 1HG PRO 38 2HG PRO 38 -13.051 -6.659 -0.468 769 2HG PRO 38 1HG PRO 38 -12.081 -5.182 -0.494 770 1HD PRO 38 2HD PRO 38 -13.548 -6.482 -2.688 771 2HD PRO 38 1HD PRO 38 -12.955 -4.812 -2.555 772 H SER 39 H SER 39 -12.242 -8.283 -3.826 773 HA SER 39 HA SER 39 -11.334 -10.934 -3.424 774 1HB SER 39 2HB SER 39 -12.919 -11.510 -5.222 775 2HB SER 39 1HB SER 39 -13.655 -10.407 -4.065 776 HG SER 39 HG SER 39 -13.144 -8.700 -5.515 777 H GLN 40 H GLN 40 -10.874 -8.547 -5.997 778 HA GLN 40 HA GLN 40 -8.942 -10.316 -7.277 779 1HB GLN 40 2HB GLN 40 -9.531 -7.819 -8.671 780 2HB GLN 40 1HB GLN 40 -9.471 -9.455 -9.267 781 1HG GLN 40 2HG GLN 40 -11.709 -9.898 -8.231 782 2HG GLN 40 1HG GLN 40 -11.795 -8.194 -7.801 783 1HE2 GLN 40 1HE2 GLN 40 -10.665 -7.062 -10.173 784 2HE2 GLN 40 2HE2 GLN 40 -11.723 -7.369 -11.465 785 H SER 41 H SER 41 -8.505 -8.715 -4.764 786 HA SER 41 HA SER 41 -6.898 -6.499 -5.306 787 1HB SER 41 2HB SER 41 -7.514 -6.985 -3.010 788 2HB SER 41 1HB SER 41 -6.827 -8.605 -3.108 789 HG SER 41 HG SER 41 -4.777 -7.656 -3.266 790 H ALA 42 H ALA 42 -6.380 -9.875 -5.489 791 HA ALA 42 HA ALA 42 -3.547 -9.931 -5.804 792 1HB ALA 42 1HB ALA 42 -3.858 -12.238 -6.196 793 2HB ALA 42 2HB ALA 42 -5.508 -11.996 -6.782 794 3HB ALA 42 3HB ALA 42 -5.141 -11.798 -5.064 795 H ASN 43 H ASN 43 -6.265 -9.441 -7.921 796 HA ASN 43 HA ASN 43 -5.106 -10.160 -10.387 797 1HB ASN 43 2HB ASN 43 -7.502 -9.956 -9.833 798 2HB ASN 43 1HB ASN 43 -7.290 -8.206 -9.888 799 1HD2 ASN 43 1HD2 ASN 43 -6.845 -11.140 -11.933 800 2HD2 ASN 43 2HD2 ASN 43 -7.103 -10.331 -13.403 801 H LEU 44 H LEU 44 -5.787 -6.976 -8.974 802 HA LEU 44 HA LEU 44 -4.324 -5.699 -11.024 803 1HB LEU 44 2HB LEU 44 -4.929 -3.608 -10.039 804 2HB LEU 44 1HB LEU 44 -6.321 -4.661 -10.037 805 HG LEU 44 HG LEU 44 -6.013 -3.320 -8.005 806 1HD1 LEU 44 1HD1 LEU 44 -7.095 -5.720 -8.301 807 2HD1 LEU 44 2HD1 LEU 44 -7.086 -4.837 -6.775 808 3HD1 LEU 44 3HD1 LEU 44 -5.878 -6.093 -7.085 809 1HD2 LEU 44 1HD2 LEU 44 -4.302 -3.461 -6.598 810 2HD2 LEU 44 2HD2 LEU 44 -3.438 -3.900 -8.044 811 3HD2 LEU 44 3HD2 LEU 44 -4.010 -5.155 -6.940 812 H LEU 45 H LEU 45 -3.729 -7.010 -7.974 813 HA LEU 45 HA LEU 45 -1.233 -5.849 -7.265 814 1HB LEU 45 2HB LEU 45 -2.354 -7.186 -5.647 815 2HB LEU 45 1HB LEU 45 -2.707 -8.442 -6.798 816 HG LEU 45 HG LEU 45 -1.068 -9.181 -5.168 817 1HD1 LEU 45 1HD1 LEU 45 0.267 -10.336 -6.558 818 2HD1 LEU 45 2HD1 LEU 45 0.690 -8.926 -7.518 819 3HD1 LEU 45 3HD1 LEU 45 -0.864 -9.724 -7.756 820 1HD2 LEU 45 1HD2 LEU 45 -0.201 -6.783 -4.887 821 2HD2 LEU 45 2HD2 LEU 45 0.896 -7.185 -6.214 822 3HD2 LEU 45 3HD2 LEU 45 0.916 -8.127 -4.721 823 H ALA 46 H ALA 46 -2.463 -8.386 -9.264 824 HA ALA 46 HA ALA 46 -0.025 -9.492 -10.217 825 1HB ALA 46 1HB ALA 46 -2.123 -9.727 -12.176 826 2HB ALA 46 2HB ALA 46 -2.846 -9.933 -10.581 827 3HB ALA 46 3HB ALA 46 -1.509 -10.970 -11.089 828 H GLU 47 H GLU 47 -2.273 -7.023 -11.333 829 HA GLU 47 HA GLU 47 -1.049 -6.293 -13.752 830 1HB GLU 47 2HB GLU 47 -2.705 -4.655 -11.807 831 2HB GLU 47 1HB GLU 47 -2.211 -4.086 -13.392 832 1HG GLU 47 2HG GLU 47 -3.900 -6.526 -12.844 833 2HG GLU 47 1HG GLU 47 -4.504 -4.959 -13.366 834 H ALA 48 H ALA 48 -0.466 -5.493 -10.399 835 HA ALA 48 HA ALA 48 1.224 -3.253 -10.802 836 1HB ALA 48 1HB ALA 48 1.088 -3.208 -8.568 837 2HB ALA 48 2HB ALA 48 1.724 -4.849 -8.430 838 3HB ALA 48 3HB ALA 48 -0.006 -4.589 -8.694 839 H LYS 49 H LYS 49 1.809 -6.644 -10.020 840 HA LYS 49 HA LYS 49 4.626 -6.506 -10.030 841 1HB LYS 49 2HB LYS 49 2.629 -8.708 -10.427 842 2HB LYS 49 1HB LYS 49 4.361 -9.025 -10.506 843 1HG LYS 49 2HG LYS 49 4.462 -7.846 -8.208 844 2HG LYS 49 1HG LYS 49 2.711 -8.069 -8.173 845 1HD LYS 49 2HD LYS 49 4.705 -10.311 -8.628 846 2HD LYS 49 1HD LYS 49 3.987 -9.937 -7.071 847 1HE LYS 49 2HE LYS 49 1.766 -10.113 -8.704 848 2HE LYS 49 1HE LYS 49 2.829 -11.344 -9.377 849 1HZ LYS 49 1HZ LYS 49 2.999 -12.408 -7.296 850 2HZ LYS 49 2HZ LYS 49 1.345 -12.092 -7.525 851 3HZ LYS 49 3HZ LYS 49 2.262 -11.116 -6.478 852 H LYS 50 H LYS 50 2.196 -6.881 -12.457 853 HA LYS 50 HA LYS 50 3.874 -7.472 -14.690 854 1HB LYS 50 2HB LYS 50 1.406 -7.916 -14.494 855 2HB LYS 50 1HB LYS 50 1.167 -6.182 -14.672 856 1HG LYS 50 2HG LYS 50 2.209 -6.206 -16.872 857 2HG LYS 50 1HG LYS 50 2.632 -7.909 -16.689 858 1HD LYS 50 2HD LYS 50 0.658 -7.914 -18.018 859 2HD LYS 50 1HD LYS 50 0.117 -8.341 -16.395 860 1HE LYS 50 2HE LYS 50 -0.536 -5.985 -15.993 861 2HE LYS 50 1HE LYS 50 -0.010 -5.567 -17.624 862 1HZ LYS 50 1HZ LYS 50 -2.458 -6.059 -17.284 863 2HZ LYS 50 2HZ LYS 50 -2.007 -7.688 -17.122 864 3HZ LYS 50 3HZ LYS 50 -1.691 -6.857 -18.570 865 H LEU 51 H LEU 51 2.484 -4.533 -13.287 866 HA LEU 51 HA LEU 51 3.384 -2.779 -15.350 867 1HB LEU 51 2HB LEU 51 2.013 -2.525 -12.783 868 2HB LEU 51 1HB LEU 51 3.204 -1.251 -13.020 869 HG LEU 51 HG LEU 51 0.911 -0.737 -13.929 870 1HD1 LEU 51 1HD1 LEU 51 2.468 0.692 -14.823 871 2HD1 LEU 51 2HD1 LEU 51 2.030 -0.169 -16.303 872 3HD1 LEU 51 3HD1 LEU 51 3.494 -0.623 -15.422 873 1HD2 LEU 51 1HD2 LEU 51 1.182 -3.308 -15.041 874 2HD2 LEU 51 2HD2 LEU 51 1.351 -2.212 -16.412 875 3HD2 LEU 51 3HD2 LEU 51 -0.094 -2.142 -15.399 876 H ASN 52 H ASN 52 4.606 -3.823 -12.273 877 HA ASN 52 HA ASN 52 6.937 -2.214 -12.219 878 1HB ASN 52 2HB ASN 52 6.212 -3.389 -10.230 879 2HB ASN 52 1HB ASN 52 6.370 -4.942 -11.036 880 1HD2 ASN 52 1HD2 ASN 52 8.599 -5.597 -11.658 881 2HD2 ASN 52 2HD2 ASN 52 9.923 -5.010 -10.773 882 H ASP 53 H ASP 53 6.026 -5.300 -13.574 883 HA ASP 53 HA ASP 53 8.613 -5.988 -14.609 884 1HB ASP 53 2HB ASP 53 6.676 -7.596 -14.306 885 2HB ASP 53 1HB ASP 53 5.939 -6.856 -15.724 886 H ALA 54 H ALA 54 5.865 -4.162 -15.754 887 HA ALA 54 HA ALA 54 6.614 -3.830 -18.456 888 1HB ALA 54 1HB ALA 54 4.834 -2.333 -18.583 889 2HB ALA 54 2HB ALA 54 5.040 -1.795 -16.917 890 3HB ALA 54 3HB ALA 54 4.361 -3.388 -17.251 891 H GLN 55 H GLN 55 7.268 -1.974 -15.520 892 HA GLN 55 HA GLN 55 8.827 0.017 -16.984 893 1HB GLN 55 2HB GLN 55 8.079 -0.271 -14.115 894 2HB GLN 55 1HB GLN 55 9.004 1.071 -14.752 895 1HG GLN 55 2HG GLN 55 7.183 1.950 -15.885 896 2HG GLN 55 1HG GLN 55 6.394 0.380 -16.040 897 1HE2 GLN 55 1HE2 GLN 55 6.001 -0.614 -13.645 898 2HE2 GLN 55 2HE2 GLN 55 5.223 0.462 -12.588 899 H ALA 56 H ALA 56 9.383 -2.996 -15.681 900 HA ALA 56 HA ALA 56 11.833 -2.632 -14.300 901 1HB ALA 56 1HB ALA 56 12.204 -5.061 -14.775 902 2HB ALA 56 2HB ALA 56 10.749 -5.042 -15.769 903 3HB ALA 56 3HB ALA 56 10.639 -4.715 -14.040 904 HA PRO 57 HA PRO 57 14.746 -2.179 -17.512 905 1HB PRO 57 2HB PRO 57 16.818 -3.647 -16.144 906 2HB PRO 57 1HB PRO 57 16.549 -1.900 -16.168 907 1HG PRO 57 2HG PRO 57 16.271 -3.483 -13.953 908 2HG PRO 57 1HG PRO 57 15.488 -1.910 -14.177 909 1HD PRO 57 2HD PRO 57 14.352 -4.657 -14.573 910 2HD PRO 57 1HD PRO 57 13.602 -3.216 -13.847 911 H LYS 58 H LYS 58 16.699 -3.529 -18.551 912 HA LYS 58 HA LYS 58 15.694 -6.185 -19.319 913 1HB LYS 58 2HB LYS 58 16.625 -3.904 -20.993 914 2HB LYS 58 1HB LYS 58 16.584 -5.542 -21.609 915 1HG LYS 58 2HG LYS 58 14.224 -5.695 -21.358 916 2HG LYS 58 1HG LYS 58 14.165 -4.276 -20.312 917 1HD LYS 58 2HD LYS 58 14.788 -2.826 -22.167 918 2HD LYS 58 1HD LYS 58 14.963 -4.220 -23.238 919 1HE LYS 58 2HE LYS 58 12.376 -3.468 -21.838 920 2HE LYS 58 1HE LYS 58 12.766 -3.018 -23.499 921 1HZ LYS 58 1HZ LYS 58 11.670 -4.962 -23.859 922 2HZ LYS 58 2HZ LYS 58 12.144 -5.649 -22.379 923 3HZ LYS 58 3HZ LYS 58 13.240 -5.578 -23.675 Start of MODEL 16 1 1H VAL 1 1HT VAL 1 11.671 -16.470 3.889 2 2H VAL 1 2HT VAL 1 10.022 -16.429 3.479 3 3H VAL 1 3HT VAL 1 10.585 -17.537 4.637 4 HA VAL 1 HA VAL 1 10.926 -15.919 6.240 5 HB VAL 1 HB VAL 1 12.106 -14.389 4.617 6 1HG1 VAL 1 1HG1 VAL 1 9.366 -13.225 4.076 7 2HG1 VAL 1 2HG1 VAL 1 10.133 -14.377 2.984 8 3HG1 VAL 1 3HG1 VAL 1 10.893 -12.817 3.297 9 1HG2 VAL 1 1HG2 VAL 1 11.774 -12.463 5.939 10 2HG2 VAL 1 2HG2 VAL 1 11.295 -13.775 7.013 11 3HG2 VAL 1 3HG2 VAL 1 10.067 -12.814 6.193 12 H ASP 2 H ASP 2 9.271 -14.741 7.410 13 HA ASP 2 HA ASP 2 6.644 -15.713 6.886 14 1HB ASP 2 2HB ASP 2 6.001 -14.400 8.874 15 2HB ASP 2 1HB ASP 2 7.425 -15.385 9.165 16 H ASN 3 H ASN 3 8.320 -13.007 5.724 17 HA ASN 3 HA ASN 3 7.741 -11.148 4.527 18 1HB ASN 3 2HB ASN 3 5.244 -12.787 4.005 19 2HB ASN 3 1HB ASN 3 5.682 -11.320 3.136 20 1HD2 ASN 3 1HD2 ASN 3 6.134 -14.727 3.228 21 2HD2 ASN 3 2HD2 ASN 3 7.375 -14.814 2.074 22 H LYS 4 H LYS 4 7.066 -11.346 7.383 23 HA LYS 4 HA LYS 4 4.588 -10.157 7.989 24 1HB LYS 4 2HB LYS 4 6.120 -11.270 9.608 25 2HB LYS 4 1HB LYS 4 7.201 -9.884 9.482 26 1HG LYS 4 2HG LYS 4 5.505 -8.407 10.383 27 2HG LYS 4 1HG LYS 4 4.293 -9.690 10.319 28 1HD LYS 4 2HD LYS 4 5.099 -9.556 12.598 29 2HD LYS 4 1HD LYS 4 5.729 -11.037 11.873 30 1HE LYS 4 2HE LYS 4 7.483 -8.724 11.441 31 2HE LYS 4 1HE LYS 4 7.260 -9.107 13.149 32 1HZ LYS 4 1HZ LYS 4 7.872 -11.211 11.165 33 2HZ LYS 4 2HZ LYS 4 8.072 -11.253 12.852 34 3HZ LYS 4 3HZ LYS 4 9.107 -10.306 11.894 35 H PHE 5 H PHE 5 7.765 -8.780 7.260 36 HA PHE 5 HA PHE 5 7.125 -6.083 7.688 37 1HB PHE 5 2HB PHE 5 9.188 -5.567 6.683 38 2HB PHE 5 1HB PHE 5 9.454 -7.165 7.371 39 HD1 PHE 5 1HD PHE 5 9.379 -5.185 4.331 40 HD2 PHE 5 2HD PHE 5 9.227 -9.210 5.854 41 HE1 PHE 5 1HE PHE 5 9.941 -6.065 2.085 42 HE2 PHE 5 2HE PHE 5 9.792 -10.080 3.604 43 HZ PHE 5 HZ PHE 5 10.149 -8.508 1.721 44 H ASN 6 H ASN 6 6.854 -8.210 4.869 45 HA ASN 6 HA ASN 6 6.102 -6.249 2.971 46 1HB ASN 6 2HB ASN 6 6.846 -8.548 2.412 47 2HB ASN 6 1HB ASN 6 5.347 -9.169 3.092 48 1HD2 ASN 6 1HD2 ASN 6 4.582 -10.001 1.063 49 2HD2 ASN 6 2HD2 ASN 6 4.096 -8.974 -0.203 50 H LYS 7 H LYS 7 4.251 -8.401 5.101 51 HA LYS 7 HA LYS 7 1.689 -7.619 4.218 52 1HB LYS 7 2HB LYS 7 2.300 -9.650 5.660 53 2HB LYS 7 1HB LYS 7 2.359 -8.535 7.022 54 1HG LYS 7 2HG LYS 7 0.049 -7.946 6.760 55 2HG LYS 7 1HG LYS 7 -0.047 -8.760 5.198 56 1HD LYS 7 2HD LYS 7 0.837 -10.493 7.428 57 2HD LYS 7 1HD LYS 7 -0.812 -9.888 7.579 58 1HE LYS 7 2HE LYS 7 -1.295 -10.701 5.268 59 2HE LYS 7 1HE LYS 7 0.339 -11.362 5.195 60 1HZ LYS 7 1HZ LYS 7 -1.786 -12.125 7.120 61 2HZ LYS 7 2HZ LYS 7 -0.189 -12.705 7.161 62 3HZ LYS 7 3HZ LYS 7 -1.195 -13.071 5.842 63 H GLU 8 H GLU 8 3.899 -6.463 6.717 64 HA GLU 8 HA GLU 8 2.125 -4.471 7.699 65 1HB GLU 8 2HB GLU 8 3.859 -5.278 9.146 66 2HB GLU 8 1HB GLU 8 5.109 -4.798 7.999 67 1HG GLU 8 2HG GLU 8 4.910 -3.147 9.832 68 2HG GLU 8 1HG GLU 8 4.469 -2.428 8.291 69 H LEU 9 H LEU 9 4.664 -4.520 5.314 70 HA LEU 9 HA LEU 9 4.788 -1.740 4.703 71 1HB LEU 9 2HB LEU 9 6.502 -3.250 3.878 72 2HB LEU 9 1HB LEU 9 5.303 -4.220 3.030 73 HG LEU 9 HG LEU 9 4.740 -2.032 1.746 74 1HD1 LEU 9 1HD1 LEU 9 6.681 -0.950 3.463 75 2HD1 LEU 9 2HD1 LEU 9 5.999 -0.221 2.009 76 3HD1 LEU 9 3HD1 LEU 9 7.485 -1.127 1.902 77 1HD2 LEU 9 1HD2 LEU 9 6.609 -2.431 0.184 78 2HD2 LEU 9 2HD2 LEU 9 5.800 -3.910 0.698 79 3HD2 LEU 9 3HD2 LEU 9 7.361 -3.474 1.395 80 H GLY 10 H GLY 10 2.756 -4.394 3.616 81 1HA GLY 10 2HA GLY 10 1.283 -2.806 1.793 82 2HA GLY 10 1HA GLY 10 0.877 -4.419 2.345 83 H TRP 11 H TRP 11 0.887 -3.949 5.129 84 HA TRP 11 HA TRP 11 -1.693 -2.919 5.309 85 1HB TRP 11 2HB TRP 11 -0.468 -4.672 6.863 86 2HB TRP 11 1HB TRP 11 -0.292 -3.216 7.850 87 HD1 TRP 11 HD TRP 11 -2.134 -3.759 9.586 88 HE1 TRP 11 1HE TRP 11 -4.706 -3.919 9.486 89 HE3 TRP 11 3HE TRP 11 -2.930 -3.746 4.498 90 HZ2 TRP 11 2HZ TRP 11 -6.802 -3.958 7.557 91 HZ3 TRP 11 3HZ TRP 11 -5.167 -3.796 3.574 92 HH2 TRP 11 HH TRP 11 -7.144 -3.921 5.095 93 H ALA 12 H ALA 12 1.298 -1.617 6.589 94 HA ALA 12 HA ALA 12 0.103 0.601 7.740 95 1HB ALA 12 1HB ALA 12 2.586 1.506 6.791 96 2HB ALA 12 2HB ALA 12 2.796 -0.226 7.033 97 3HB ALA 12 3HB ALA 12 2.262 0.786 8.367 98 H THR 13 H THR 13 1.113 -0.072 4.426 99 HA THR 13 HA THR 13 0.738 2.433 3.209 100 HB THR 13 HB THR 13 0.472 -0.410 2.317 101 HG1 THR 13 1HG THR 13 2.487 -0.024 2.140 102 1HG2 THR 13 1HG2 THR 13 -1.120 0.636 0.899 103 2HG2 THR 13 2HG2 THR 13 0.379 0.576 -0.028 104 3HG2 THR 13 3HG2 THR 13 -0.121 2.086 0.733 105 H TRP 14 H TRP 14 -1.517 -0.227 3.798 106 HA TRP 14 HA TRP 14 -3.832 0.984 2.701 107 1HB TRP 14 2HB TRP 14 -3.402 -1.458 3.284 108 2HB TRP 14 1HB TRP 14 -3.754 -1.024 4.942 109 HD1 TRP 14 HD TRP 14 -6.194 -0.871 5.648 110 HE1 TRP 14 1HE TRP 14 -8.449 -1.157 4.444 111 HE3 TRP 14 3HE TRP 14 -4.631 -0.854 0.757 112 HZ2 TRP 14 2HZ TRP 14 -9.447 -1.363 1.785 113 HZ3 TRP 14 3HZ TRP 14 -6.247 -1.110 -1.040 114 HH2 TRP 14 HH TRP 14 -8.627 -1.367 -0.544 115 H GLU 15 H GLU 15 -2.627 0.717 6.028 116 HA GLU 15 HA GLU 15 -4.790 1.967 7.305 117 1HB GLU 15 2HB GLU 15 -1.868 1.765 8.078 118 2HB GLU 15 1HB GLU 15 -3.151 2.304 9.164 119 1HG GLU 15 2HG GLU 15 -4.275 0.174 9.036 120 2HG GLU 15 1HG GLU 15 -3.242 -0.370 7.718 121 H ILE 16 H ILE 16 -1.869 3.259 5.818 122 HA ILE 16 HA ILE 16 -2.310 6.013 6.564 123 HB ILE 16 HB ILE 16 -0.666 4.734 4.328 124 1HG1 ILE 16 2HG1 ILE 16 0.302 5.943 6.918 125 2HG1 ILE 16 1HG1 ILE 16 -0.023 4.240 6.757 126 1HG2 ILE 16 1HG2 ILE 16 0.555 6.976 4.431 127 2HG2 ILE 16 2HG2 ILE 16 -0.841 7.583 5.314 128 3HG2 ILE 16 3HG2 ILE 16 -1.031 6.991 3.667 129 1HD1 ILE 16 1HD1 ILE 16 2.396 5.462 6.194 130 2HD1 ILE 16 2HD1 ILE 16 1.666 5.309 4.590 131 3HD1 ILE 16 3HD1 ILE 16 1.900 3.879 5.603 132 H PHE 17 H PHE 17 -3.078 3.898 3.877 133 HA PHE 17 HA PHE 17 -4.170 5.733 2.018 134 1HB PHE 17 2HB PHE 17 -3.538 3.125 1.962 135 2HB PHE 17 1HB PHE 17 -5.248 2.960 2.265 136 HD1 PHE 17 1HD PHE 17 -6.857 3.436 0.564 137 HD2 PHE 17 2HD PHE 17 -2.694 4.258 -0.099 138 HE1 PHE 17 1HE PHE 17 -7.295 3.667 -1.858 139 HE2 PHE 17 2HE PHE 17 -3.119 4.494 -2.521 140 HZ PHE 17 HZ PHE 17 -5.418 4.193 -3.395 141 H ASN 18 H ASN 18 -5.503 3.925 4.721 142 HA ASN 18 HA ASN 18 -8.235 4.794 4.222 143 1HB ASN 18 2HB ASN 18 -6.971 2.976 6.275 144 2HB ASN 18 1HB ASN 18 -8.679 3.400 6.297 145 1HD2 ASN 18 1HD2 ASN 18 -6.414 2.467 3.626 146 2HD2 ASN 18 2HD2 ASN 18 -7.422 1.244 3.022 147 H LEU 19 H LEU 19 -5.715 6.444 5.570 148 HA LEU 19 HA LEU 19 -6.888 7.229 8.040 149 1HB LEU 19 2HB LEU 19 -4.564 8.104 6.451 150 2HB LEU 19 1HB LEU 19 -5.266 9.336 7.494 151 HG LEU 19 HG LEU 19 -4.394 6.565 8.405 152 1HD1 LEU 19 1HD1 LEU 19 -2.951 8.510 9.747 153 2HD1 LEU 19 2HD1 LEU 19 -3.017 9.104 8.101 154 3HD1 LEU 19 3HD1 LEU 19 -2.360 7.503 8.434 155 1HD2 LEU 19 1HD2 LEU 19 -5.869 8.789 9.699 156 2HD2 LEU 19 2HD2 LEU 19 -4.559 8.094 10.645 157 3HD2 LEU 19 3HD2 LEU 19 -5.878 7.067 10.074 158 HA PRO 20 HA PRO 20 -9.897 9.976 6.332 159 1HB PRO 20 2HB PRO 20 -10.362 11.170 8.922 160 2HB PRO 20 1HB PRO 20 -11.307 9.917 8.101 161 1HG PRO 20 2HG PRO 20 -9.880 9.513 10.379 162 2HG PRO 20 1HG PRO 20 -10.239 8.237 9.199 163 1HD PRO 20 2HD PRO 20 -7.729 9.867 9.493 164 2HD PRO 20 1HD PRO 20 -7.906 8.118 9.255 165 H ASN 21 H ASN 21 -6.873 11.271 6.942 166 HA ASN 21 HA ASN 21 -7.973 13.967 6.333 167 1HB ASN 21 2HB ASN 21 -5.840 13.954 8.377 168 2HB ASN 21 1HB ASN 21 -7.126 15.104 8.103 169 1HD2 ASN 21 1HD2 ASN 21 -8.845 14.971 9.518 170 2HD2 ASN 21 2HD2 ASN 21 -9.187 13.640 10.511 171 H LEU 22 H LEU 22 -5.659 11.662 5.655 172 HA LEU 22 HA LEU 22 -3.519 13.465 4.925 173 1HB LEU 22 2HB LEU 22 -3.951 10.573 4.171 174 2HB LEU 22 1HB LEU 22 -2.457 11.490 3.962 175 HG LEU 22 HG LEU 22 -3.816 10.911 6.615 176 1HD1 LEU 22 1HD1 LEU 22 -1.467 9.739 6.848 177 2HD1 LEU 22 2HD1 LEU 22 -1.567 9.666 5.089 178 3HD1 LEU 22 3HD1 LEU 22 -2.816 8.911 6.074 179 1HD2 LEU 22 1HD2 LEU 22 -1.491 12.605 5.789 180 2HD2 LEU 22 2HD2 LEU 22 -1.371 11.705 7.297 181 3HD2 LEU 22 3HD2 LEU 22 -2.673 12.876 7.077 182 H ASN 23 H ASN 23 -2.823 14.017 2.848 183 HA ASN 23 HA ASN 23 -4.987 13.970 0.847 184 1HB ASN 23 2HB ASN 23 -3.924 15.822 -0.220 185 2HB ASN 23 1HB ASN 23 -3.943 16.176 1.502 186 1HD2 ASN 23 1HD2 ASN 23 -2.064 17.216 -0.579 187 2HD2 ASN 23 2HD2 ASN 23 -0.513 16.772 -0.053 188 H GLY 24 H GLY 24 -4.273 13.667 -1.438 189 1HA GLY 24 2HA GLY 24 -3.290 11.151 -1.887 190 2HA GLY 24 1HA GLY 24 -3.245 12.433 -3.089 191 H VAL 25 H VAL 25 -1.398 14.149 -1.654 192 HA VAL 25 HA VAL 25 1.046 12.968 -2.550 193 HB VAL 25 HB VAL 25 0.502 15.521 -1.040 194 1HG1 VAL 25 1HG1 VAL 25 3.031 14.275 -2.118 195 2HG1 VAL 25 2HG1 VAL 25 2.770 15.050 -0.554 196 3HG1 VAL 25 3HG1 VAL 25 2.870 16.029 -2.017 197 1HG2 VAL 25 1HG2 VAL 25 -0.428 15.649 -3.226 198 2HG2 VAL 25 2HG2 VAL 25 0.901 14.724 -3.930 199 3HG2 VAL 25 3HG2 VAL 25 1.166 16.387 -3.395 200 H GLN 26 H GLN 26 -0.152 13.778 0.760 201 HA GLN 26 HA GLN 26 2.162 12.840 2.047 202 1HB GLN 26 2HB GLN 26 -0.605 13.461 2.883 203 2HB GLN 26 1HB GLN 26 0.341 12.434 3.954 204 1HG GLN 26 2HG GLN 26 1.838 14.090 4.482 205 2HG GLN 26 1HG GLN 26 1.764 14.812 2.871 206 1HE2 GLN 26 1HE2 GLN 26 -0.238 14.385 5.786 207 2HE2 GLN 26 2HE2 GLN 26 -1.018 15.884 5.659 208 H VAL 27 H VAL 27 -0.847 11.185 1.161 209 HA VAL 27 HA VAL 27 -0.175 8.690 2.339 210 HB VAL 27 HB VAL 27 -1.923 9.245 -0.082 211 1HG1 VAL 27 1HG1 VAL 27 -2.960 7.026 0.736 212 2HG1 VAL 27 2HG1 VAL 27 -1.475 6.818 1.667 213 3HG1 VAL 27 3HG1 VAL 27 -1.407 6.920 -0.094 214 1HG2 VAL 27 1HG2 VAL 27 -2.663 10.420 1.976 215 2HG2 VAL 27 2HG2 VAL 27 -2.617 8.895 2.860 216 3HG2 VAL 27 3HG2 VAL 27 -3.776 9.121 1.551 217 H LYS 28 H LYS 28 0.338 10.053 -0.892 218 HA LYS 28 HA LYS 28 1.632 7.812 -2.038 219 1HB LYS 28 2HB LYS 28 1.616 10.766 -2.689 220 2HB LYS 28 1HB LYS 28 2.673 9.652 -3.556 221 1HG LYS 28 2HG LYS 28 0.853 8.414 -4.435 222 2HG LYS 28 1HG LYS 28 -0.285 9.096 -3.278 223 1HD LYS 28 2HD LYS 28 -0.748 10.252 -5.296 224 2HD LYS 28 1HD LYS 28 0.247 11.379 -4.379 225 1HE LYS 28 2HE LYS 28 1.427 9.452 -6.392 226 2HE LYS 28 1HE LYS 28 0.876 11.065 -6.838 227 1HZ LYS 28 1HZ LYS 28 2.894 11.732 -6.233 228 2HZ LYS 28 2HZ LYS 28 3.249 10.271 -5.441 229 3HZ LYS 28 3HZ LYS 28 2.397 11.497 -4.629 230 H ALA 29 H ALA 29 2.778 10.483 -0.074 231 HA ALA 29 HA ALA 29 5.553 10.032 -0.427 232 1HB ALA 29 1HB ALA 29 4.215 11.327 1.927 233 2HB ALA 29 2HB ALA 29 4.484 12.159 0.394 234 3HB ALA 29 3HB ALA 29 5.856 11.588 1.342 235 H PHE 30 H PHE 30 3.197 9.106 2.025 236 HA PHE 30 HA PHE 30 5.010 7.800 3.705 237 1HB PHE 30 2HB PHE 30 2.054 7.392 3.307 238 2HB PHE 30 1HB PHE 30 3.000 6.703 4.621 239 HD1 PHE 30 1HD PHE 30 4.799 8.886 5.430 240 HD2 PHE 30 2HD PHE 30 0.637 9.058 4.271 241 HE1 PHE 30 1HE PHE 30 4.502 10.963 6.717 242 HE2 PHE 30 2HE PHE 30 0.378 11.120 5.586 243 HZ PHE 30 HZ PHE 30 2.301 12.063 6.796 244 H ILE 31 H ILE 31 3.079 6.897 0.912 245 HA ILE 31 HA ILE 31 3.712 4.142 0.936 246 HB ILE 31 HB ILE 31 2.755 6.028 -1.197 247 1HG1 ILE 31 2HG1 ILE 31 1.614 3.446 -0.067 248 2HG1 ILE 31 1HG1 ILE 31 1.193 5.053 0.512 249 1HG2 ILE 31 1HG2 ILE 31 4.150 4.693 -2.569 250 2HG2 ILE 31 2HG2 ILE 31 2.612 3.839 -2.641 251 3HG2 ILE 31 3HG2 ILE 31 3.895 3.247 -1.594 252 1HD1 ILE 31 1HD1 ILE 31 0.794 4.072 -2.327 253 2HD1 ILE 31 2HD1 ILE 31 0.301 5.641 -1.688 254 3HD1 ILE 31 3HD1 ILE 31 -0.473 4.166 -1.101 255 H ASP 32 H ASP 32 5.117 6.926 -0.707 256 HA ASP 32 HA ASP 32 7.167 5.600 -2.029 257 1HB ASP 32 2HB ASP 32 6.853 8.421 -1.044 258 2HB ASP 32 1HB ASP 32 8.355 7.910 -1.813 259 H SER 33 H SER 33 7.075 6.917 1.191 260 HA SER 33 HA SER 33 9.786 6.372 1.880 261 1HB SER 33 2HB SER 33 7.320 6.720 3.614 262 2HB SER 33 1HB SER 33 8.988 6.712 4.199 263 HG SER 33 HG SER 33 7.879 8.492 2.282 264 H LEU 34 H LEU 34 6.778 4.624 2.055 265 HA LEU 34 HA LEU 34 7.519 2.324 3.584 266 1HB LEU 34 2HB LEU 34 5.359 3.257 1.824 267 2HB LEU 34 1HB LEU 34 5.615 1.544 1.789 268 HG LEU 34 HG LEU 34 5.659 2.530 4.489 269 1HD1 LEU 34 1HD1 LEU 34 3.465 3.387 2.688 270 2HD1 LEU 34 2HD1 LEU 34 4.040 4.130 4.176 271 3HD1 LEU 34 3HD1 LEU 34 2.987 2.721 4.243 272 1HD2 LEU 34 1HD2 LEU 34 3.762 0.780 4.539 273 2HD2 LEU 34 2HD2 LEU 34 5.381 0.259 4.115 274 3HD2 LEU 34 3HD2 LEU 34 4.201 0.493 2.854 275 H ARG 35 H ARG 35 7.290 2.817 0.070 276 HA ARG 35 HA ARG 35 8.394 0.298 -0.667 277 1HB ARG 35 2HB ARG 35 9.079 2.350 -2.609 278 2HB ARG 35 1HB ARG 35 7.979 0.986 -2.776 279 1HG ARG 35 2HG ARG 35 6.272 2.334 -1.512 280 2HG ARG 35 1HG ARG 35 7.379 3.690 -1.611 281 1HD ARG 35 2HD ARG 35 5.434 2.843 -3.513 282 2HD ARG 35 1HD ARG 35 6.499 4.237 -3.582 283 HE ARG 35 HE ARG 35 8.014 2.964 -4.864 284 1HH1 ARG 35 1HH1 ARG 35 6.057 0.664 -3.426 285 2HH1 ARG 35 2HH1 ARG 35 5.871 -0.329 -4.840 286 1HH2 ARG 35 1HH2 ARG 35 7.380 1.972 -6.950 287 2HH2 ARG 35 2HH2 ARG 35 6.637 0.413 -6.834 288 H ASP 36 H ASP 36 9.827 3.494 -0.242 289 HA ASP 36 HA ASP 36 12.484 2.863 -0.938 290 1HB ASP 36 2HB ASP 36 11.517 5.169 -0.723 291 2HB ASP 36 1HB ASP 36 11.577 4.942 1.013 292 H ASP 37 H ASP 37 10.635 2.601 1.995 293 HA ASP 37 HA ASP 37 12.659 0.888 3.177 294 1HB ASP 37 2HB ASP 37 13.184 3.316 3.835 295 2HB ASP 37 1HB ASP 37 11.705 3.256 4.790 296 HA PRO 38 HA PRO 38 8.506 -0.600 4.085 297 1HB PRO 38 2HB PRO 38 9.584 -3.247 4.041 298 2HB PRO 38 1HB PRO 38 8.499 -2.479 2.894 299 1HG PRO 38 2HG PRO 38 11.110 -3.207 2.398 300 2HG PRO 38 1HG PRO 38 10.154 -2.065 1.443 301 1HD PRO 38 2HD PRO 38 12.277 -1.519 3.453 302 2HD PRO 38 1HD PRO 38 11.781 -0.570 2.031 303 H SER 39 H SER 39 11.541 -1.340 5.640 304 HA SER 39 HA SER 39 10.409 -2.621 7.939 305 1HB SER 39 2HB SER 39 12.573 -2.494 8.910 306 2HB SER 39 1HB SER 39 12.865 -2.714 7.190 307 HG SER 39 HG SER 39 12.877 -0.277 7.210 308 H GLN 40 H GLN 40 10.510 0.538 6.752 309 HA GLN 40 HA GLN 40 10.089 1.845 9.342 310 1HB GLN 40 2HB GLN 40 11.692 2.694 7.520 311 2HB GLN 40 1HB GLN 40 10.245 3.158 6.631 312 1HG GLN 40 2HG GLN 40 9.551 4.619 8.452 313 2HG GLN 40 1HG GLN 40 10.912 4.090 9.440 314 1HE2 GLN 40 1HE2 GLN 40 12.890 5.190 9.143 315 2HE2 GLN 40 2HE2 GLN 40 13.160 6.339 7.924 316 H SER 41 H SER 41 8.164 0.318 7.112 317 HA SER 41 HA SER 41 6.127 1.989 6.355 318 1HB SER 41 2HB SER 41 5.681 -0.788 7.468 319 2HB SER 41 1HB SER 41 4.714 0.048 6.261 320 HG SER 41 HG SER 41 7.081 0.131 5.298 321 H ALA 42 H ALA 42 6.522 0.459 9.529 322 HA ALA 42 HA ALA 42 4.029 1.163 10.656 323 1HB ALA 42 1HB ALA 42 5.114 0.697 12.774 324 2HB ALA 42 2HB ALA 42 6.705 0.861 12.022 325 3HB ALA 42 3HB ALA 42 5.655 -0.493 11.586 326 H ASN 43 H ASN 43 7.128 2.724 10.428 327 HA ASN 43 HA ASN 43 6.641 4.895 12.147 328 1HB ASN 43 2HB ASN 43 8.662 4.004 10.207 329 2HB ASN 43 1HB ASN 43 8.586 5.751 10.457 330 1HD2 ASN 43 1HD2 ASN 43 9.952 2.905 11.674 331 2HD2 ASN 43 2HD2 ASN 43 10.365 3.464 13.222 332 H LEU 44 H LEU 44 6.205 4.329 8.766 333 HA LEU 44 HA LEU 44 5.611 7.014 7.974 334 1HB LEU 44 2HB LEU 44 5.083 4.353 6.611 335 2HB LEU 44 1HB LEU 44 5.161 5.946 5.831 336 HG LEU 44 HG LEU 44 7.415 4.869 7.512 337 1HD1 LEU 44 1HD1 LEU 44 8.470 4.640 5.120 338 2HD1 LEU 44 2HD1 LEU 44 6.790 4.311 4.691 339 3HD1 LEU 44 3HD1 LEU 44 7.606 3.326 5.910 340 1HD2 LEU 44 1HD2 LEU 44 8.651 6.587 6.185 341 2HD2 LEU 44 2HD2 LEU 44 7.458 7.185 7.339 342 3HD2 LEU 44 3HD2 LEU 44 7.075 7.140 5.619 343 H LEU 45 H LEU 45 3.966 4.198 8.919 344 HA LEU 45 HA LEU 45 1.283 5.097 8.499 345 1HB LEU 45 2HB LEU 45 1.580 2.755 8.742 346 2HB LEU 45 1HB LEU 45 2.557 2.945 10.192 347 HG LEU 45 HG LEU 45 0.596 3.736 11.436 348 1HD1 LEU 45 1HD1 LEU 45 -0.734 3.489 8.736 349 2HD1 LEU 45 2HD1 LEU 45 -0.724 4.869 9.833 350 3HD1 LEU 45 3HD1 LEU 45 -1.668 3.437 10.229 351 1HD2 LEU 45 1HD2 LEU 45 0.148 1.169 9.885 352 2HD2 LEU 45 2HD2 LEU 45 -0.693 1.607 11.374 353 3HD2 LEU 45 3HD2 LEU 45 1.052 1.347 11.389 354 H ALA 46 H ALA 46 3.668 5.235 11.016 355 HA ALA 46 HA ALA 46 2.120 6.385 13.068 356 1HB ALA 46 1HB ALA 46 4.514 5.329 13.141 357 2HB ALA 46 2HB ALA 46 4.150 6.684 14.207 358 3HB ALA 46 3HB ALA 46 5.040 6.956 12.706 359 H GLU 47 H GLU 47 4.242 7.650 10.611 360 HA GLU 47 HA GLU 47 4.067 10.381 11.210 361 1HB GLU 47 2HB GLU 47 4.734 8.737 8.805 362 2HB GLU 47 1HB GLU 47 4.622 10.490 8.662 363 1HG GLU 47 2HG GLU 47 6.508 8.871 10.367 364 2HG GLU 47 1HG GLU 47 6.903 9.950 9.033 365 H ALA 48 H ALA 48 2.217 8.191 9.223 366 HA ALA 48 HA ALA 48 0.599 10.121 7.972 367 1HB ALA 48 1HB ALA 48 -0.803 8.094 7.514 368 2HB ALA 48 2HB ALA 48 0.306 7.179 8.526 369 3HB ALA 48 3HB ALA 48 0.879 7.941 7.044 370 H LYS 49 H LYS 49 0.202 8.042 10.827 371 HA LYS 49 HA LYS 49 -2.370 8.935 11.552 372 1HB LYS 49 2HB LYS 49 -0.108 7.758 13.155 373 2HB LYS 49 1HB LYS 49 -1.645 8.217 13.893 374 1HG LYS 49 2HG LYS 49 -2.835 6.768 12.255 375 2HG LYS 49 1HG LYS 49 -1.283 6.255 11.606 376 1HD LYS 49 2HD LYS 49 -0.656 5.381 13.850 377 2HD LYS 49 1HD LYS 49 -2.253 5.840 14.450 378 1HE LYS 49 2HE LYS 49 -3.194 4.413 12.519 379 2HE LYS 49 1HE LYS 49 -1.564 3.755 12.380 380 1HZ LYS 49 1HZ LYS 49 -1.689 3.194 14.771 381 2HZ LYS 49 2HZ LYS 49 -2.826 2.358 13.821 382 3HZ LYS 49 3HZ LYS 49 -3.315 3.679 14.773 383 H LYS 50 H LYS 50 0.822 10.259 11.920 384 HA LYS 50 HA LYS 50 0.072 12.269 13.789 385 1HB LYS 50 2HB LYS 50 2.394 11.342 13.542 386 2HB LYS 50 1HB LYS 50 2.486 12.135 11.976 387 1HG LYS 50 2HG LYS 50 1.816 14.285 13.379 388 2HG LYS 50 1HG LYS 50 2.484 13.348 14.717 389 1HD LYS 50 2HD LYS 50 3.949 13.801 12.102 390 2HD LYS 50 1HD LYS 50 4.159 14.834 13.516 391 1HE LYS 50 2HE LYS 50 4.651 11.835 13.474 392 2HE LYS 50 1HE LYS 50 5.910 13.062 13.362 393 1HZ LYS 50 1HZ LYS 50 4.179 12.389 15.646 394 2HZ LYS 50 2HZ LYS 50 4.847 13.947 15.518 395 3HZ LYS 50 3HZ LYS 50 5.863 12.588 15.601 396 H LEU 51 H LEU 51 0.566 12.068 10.339 397 HA LEU 51 HA LEU 51 0.085 14.808 9.827 398 1HB LEU 51 2HB LEU 51 0.443 12.364 8.189 399 2HB LEU 51 1HB LEU 51 -0.465 13.676 7.448 400 HG LEU 51 HG LEU 51 1.844 13.958 6.872 401 1HD1 LEU 51 1HD1 LEU 51 0.333 15.935 7.861 402 2HD1 LEU 51 2HD1 LEU 51 1.983 16.199 7.297 403 3HD1 LEU 51 3HD1 LEU 51 1.662 16.004 9.020 404 1HD2 LEU 51 1HD2 LEU 51 2.279 13.485 9.803 405 2HD2 LEU 51 2HD2 LEU 51 3.439 14.468 8.911 406 3HD2 LEU 51 3HD2 LEU 51 3.142 12.803 8.425 407 H ASN 52 H ASN 52 -1.921 11.916 9.733 408 HA ASN 52 HA ASN 52 -4.224 13.165 8.717 409 1HB ASN 52 2HB ASN 52 -5.162 11.120 8.853 410 2HB ASN 52 1HB ASN 52 -3.544 10.586 9.256 411 1HD2 ASN 52 1HD2 ASN 52 -6.746 11.109 10.536 412 2HD2 ASN 52 2HD2 ASN 52 -6.442 10.470 12.076 413 H ASP 53 H ASP 53 -3.052 12.475 11.997 414 HA ASP 53 HA ASP 53 -5.276 13.574 13.322 415 1HB ASP 53 2HB ASP 53 -3.669 12.112 14.461 416 2HB ASP 53 1HB ASP 53 -2.429 13.355 14.309 417 H ALA 54 H ALA 54 -2.239 14.943 12.199 418 HA ALA 54 HA ALA 54 -2.506 17.512 13.315 419 1HB ALA 54 1HB ALA 54 -1.041 16.479 10.884 420 2HB ALA 54 2HB ALA 54 -0.368 16.867 12.466 421 3HB ALA 54 3HB ALA 54 -0.941 18.159 11.412 422 H GLN 55 H GLN 55 -3.618 16.023 10.319 423 HA GLN 55 HA GLN 55 -4.850 18.483 9.350 424 1HB GLN 55 2HB GLN 55 -4.654 15.650 8.336 425 2HB GLN 55 1HB GLN 55 -5.652 16.868 7.530 426 1HG GLN 55 2HG GLN 55 -3.751 18.263 7.091 427 2HG GLN 55 1HG GLN 55 -2.722 17.314 8.164 428 1HE2 GLN 55 1HE2 GLN 55 -2.708 14.834 7.464 429 2HE2 GLN 55 2HE2 GLN 55 -2.489 14.573 5.803 430 H ALA 56 H ALA 56 -5.643 16.144 11.584 431 HA ALA 56 HA ALA 56 -8.508 16.059 11.021 432 1HB ALA 56 1HB ALA 56 -8.643 14.562 12.942 433 2HB ALA 56 2HB ALA 56 -6.977 14.924 13.386 434 3HB ALA 56 3HB ALA 56 -7.320 14.038 11.905 435 HA PRO 57 HA PRO 57 -9.555 19.261 13.837 436 1HB PRO 57 2HB PRO 57 -12.014 17.982 14.647 437 2HB PRO 57 1HB PRO 57 -11.784 19.221 13.405 438 1HG PRO 57 2HG PRO 57 -12.571 16.678 12.881 439 2HG PRO 57 1HG PRO 57 -11.684 17.695 11.729 440 1HD PRO 57 2HD PRO 57 -10.610 15.610 13.605 441 2HD PRO 57 1HD PRO 57 -10.262 15.836 11.870 442 H LYS 58 H LYS 58 -10.184 19.766 16.068 443 HA LYS 58 HA LYS 58 -9.646 17.683 18.066 444 1HB LYS 58 2HB LYS 58 -8.294 20.356 18.031 445 2HB LYS 58 1HB LYS 58 -8.128 19.154 19.295 446 1HG LYS 58 2HG LYS 58 -7.375 18.659 16.394 447 2HG LYS 58 1HG LYS 58 -6.229 19.189 17.620 448 1HD LYS 58 2HD LYS 58 -6.684 17.175 18.955 449 2HD LYS 58 1HD LYS 58 -7.874 16.638 17.775 450 1HE LYS 58 2HE LYS 58 -5.052 17.232 16.904 451 2HE LYS 58 1HE LYS 58 -5.446 15.680 17.642 452 1HZ LYS 58 1HZ LYS 58 -5.824 16.416 15.010 453 2HZ LYS 58 2HZ LYS 58 -7.380 16.371 15.690 454 3HZ LYS 58 3HZ LYS 58 -6.376 15.002 15.767 455 1H VAL 1 1HT VAL 1 -17.653 -6.623 5.863 456 2H VAL 1 2HT VAL 1 -18.015 -8.063 5.037 457 3H VAL 1 3HT VAL 1 -19.263 -7.141 5.730 458 HA VAL 1 HA VAL 1 -19.398 -6.627 3.481 459 HB VAL 1 HB VAL 1 -17.594 -4.525 4.737 460 1HG1 VAL 1 1HG1 VAL 1 -17.860 -4.123 2.359 461 2HG1 VAL 1 2HG1 VAL 1 -18.900 -2.990 3.221 462 3HG1 VAL 1 3HG1 VAL 1 -19.596 -4.419 2.457 463 1HG2 VAL 1 1HG2 VAL 1 -19.478 -4.981 6.208 464 2HG2 VAL 1 2HG2 VAL 1 -20.602 -4.936 4.851 465 3HG2 VAL 1 3HG2 VAL 1 -19.788 -3.461 5.370 466 H ASP 2 H ASP 2 -16.010 -6.142 4.518 467 HA ASP 2 HA ASP 2 -14.960 -6.302 1.855 468 1HB ASP 2 2HB ASP 2 -13.896 -5.111 3.846 469 2HB ASP 2 1HB ASP 2 -13.413 -6.704 4.423 470 H ASN 3 H ASN 3 -14.028 -8.012 0.808 471 HA ASN 3 HA ASN 3 -14.894 -10.615 1.353 472 1HB ASN 3 2HB ASN 3 -14.077 -9.632 -0.865 473 2HB ASN 3 1HB ASN 3 -12.445 -9.931 -0.278 474 1HD2 ASN 3 1HD2 ASN 3 -12.504 -11.413 -2.311 475 2HD2 ASN 3 2HD2 ASN 3 -13.059 -13.000 -2.084 476 H LYS 4 H LYS 4 -13.550 -12.525 1.835 477 HA LYS 4 HA LYS 4 -12.091 -12.239 4.223 478 1HB LYS 4 2HB LYS 4 -11.429 -14.636 3.858 479 2HB LYS 4 1HB LYS 4 -13.162 -14.338 3.796 480 1HG LYS 4 2HG LYS 4 -13.276 -15.136 1.695 481 2HG LYS 4 1HG LYS 4 -12.056 -13.996 1.154 482 1HD LYS 4 2HD LYS 4 -11.400 -16.604 2.555 483 2HD LYS 4 1HD LYS 4 -11.446 -16.426 0.803 484 1HE LYS 4 2HE LYS 4 -9.818 -14.355 1.391 485 2HE LYS 4 1HE LYS 4 -9.445 -15.397 2.760 486 1HZ LYS 4 1HZ LYS 4 -8.912 -15.782 -0.073 487 2HZ LYS 4 2HZ LYS 4 -9.376 -17.166 0.797 488 3HZ LYS 4 3HZ LYS 4 -8.013 -16.274 1.279 489 H PHE 5 H PHE 5 -11.170 -11.600 1.076 490 HA PHE 5 HA PHE 5 -8.429 -12.322 1.189 491 1HB PHE 5 2HB PHE 5 -10.121 -10.643 -0.642 492 2HB PHE 5 1HB PHE 5 -8.362 -10.656 -0.806 493 HD1 PHE 5 1HD PHE 5 -11.184 -13.046 -0.274 494 HD2 PHE 5 2HD PHE 5 -7.419 -12.283 -2.187 495 HE1 PHE 5 1HE PHE 5 -11.313 -15.251 -1.413 496 HE2 PHE 5 2HE PHE 5 -7.541 -14.482 -3.320 497 HZ PHE 5 HZ PHE 5 -9.481 -15.968 -2.925 498 H ASN 6 H ASN 6 -9.902 -10.184 3.143 499 HA ASN 6 HA ASN 6 -8.452 -7.773 2.874 500 1HB ASN 6 2HB ASN 6 -10.360 -8.314 4.528 501 2HB ASN 6 1HB ASN 6 -9.108 -9.014 5.550 502 1HD2 ASN 6 1HD2 ASN 6 -7.015 -7.342 5.521 503 2HD2 ASN 6 2HD2 ASN 6 -7.451 -5.753 5.927 504 H LYS 7 H LYS 7 -7.657 -10.792 4.546 505 HA LYS 7 HA LYS 7 -5.105 -10.042 5.528 506 1HB LYS 7 2HB LYS 7 -6.247 -12.042 6.337 507 2HB LYS 7 1HB LYS 7 -6.246 -12.738 4.719 508 1HG LYS 7 2HG LYS 7 -3.728 -12.701 4.771 509 2HG LYS 7 1HG LYS 7 -3.818 -12.173 6.454 510 1HD LYS 7 2HD LYS 7 -4.947 -14.208 7.107 511 2HD LYS 7 1HD LYS 7 -5.136 -14.704 5.426 512 1HE LYS 7 2HE LYS 7 -2.465 -14.333 6.817 513 2HE LYS 7 1HE LYS 7 -3.259 -15.887 6.569 514 1HZ LYS 7 1HZ LYS 7 -2.035 -15.855 4.690 515 2HZ LYS 7 2HZ LYS 7 -1.919 -14.161 4.646 516 3HZ LYS 7 3HZ LYS 7 -3.331 -14.933 4.100 517 H GLU 8 H GLU 8 -6.215 -11.601 2.577 518 HA GLU 8 HA GLU 8 -3.694 -11.976 1.336 519 1HB GLU 8 2HB GLU 8 -6.483 -11.730 0.125 520 2HB GLU 8 1HB GLU 8 -5.063 -12.388 -0.697 521 1HG GLU 8 2HG GLU 8 -6.508 -13.529 1.712 522 2HG GLU 8 1HG GLU 8 -6.327 -14.265 0.121 523 H ARG 9 H ARG 9 -5.977 -9.344 1.423 524 HA ARG 9 HA ARG 9 -5.070 -7.824 -0.761 525 1HB ARG 9 2HB ARG 9 -7.252 -7.588 0.543 526 2HB ARG 9 1HB ARG 9 -6.317 -6.749 1.779 527 1HG ARG 9 2HG ARG 9 -5.475 -5.360 -0.357 528 2HG ARG 9 1HG ARG 9 -7.037 -5.887 -0.979 529 1HD ARG 9 2HD ARG 9 -6.497 -4.252 1.504 530 2HD ARG 9 1HD ARG 9 -7.425 -3.785 0.083 531 HE ARG 9 HE ARG 9 -8.388 -6.064 1.651 532 1HH1 ARG 9 1HH1 ARG 9 -9.756 -4.050 -0.394 533 2HH1 ARG 9 2HH1 ARG 9 -10.881 -3.292 0.682 534 1HH2 ARG 9 1HH2 ARG 9 -9.362 -4.516 3.547 535 2HH2 ARG 9 2HH2 ARG 9 -10.658 -3.558 2.915 536 H VAL 10 H VAL 10 -4.320 -7.840 2.697 537 HA VAL 10 HA VAL 10 -2.667 -5.593 2.840 538 HB VAL 10 HB VAL 10 -2.324 -8.120 4.437 539 1HG1 VAL 10 1HG1 VAL 10 -0.569 -6.769 5.020 540 2HG1 VAL 10 2HG1 VAL 10 -1.784 -6.271 6.200 541 3HG1 VAL 10 3HG1 VAL 10 -1.478 -5.284 4.770 542 1HG2 VAL 10 1HG2 VAL 10 -4.405 -7.844 5.250 543 2HG2 VAL 10 2HG2 VAL 10 -4.642 -6.397 4.277 544 3HG2 VAL 10 3HG2 VAL 10 -3.914 -6.274 5.887 545 H ILE 11 H ILE 11 -1.952 -8.935 1.968 546 HA ILE 11 HA ILE 11 0.883 -8.581 1.802 547 HB ILE 11 HB ILE 11 -0.831 -10.682 0.451 548 1HG1 ILE 11 2HG1 ILE 11 -0.062 -10.195 3.282 549 2HG1 ILE 11 1HG1 ILE 11 -1.393 -11.143 2.627 550 1HG2 ILE 11 1HG2 ILE 11 2.085 -10.729 1.323 551 2HG2 ILE 11 2HG2 ILE 11 1.556 -10.428 -0.333 552 3HG2 ILE 11 3HG2 ILE 11 1.233 -11.985 0.422 553 1HD1 ILE 11 1HD1 ILE 11 0.011 -12.742 3.669 554 2HD1 ILE 11 2HD1 ILE 11 1.478 -11.986 3.042 555 3HD1 ILE 11 3HD1 ILE 11 0.408 -12.877 1.956 556 H ALA 12 H ALA 12 -1.806 -8.344 -0.529 557 HA ALA 12 HA ALA 12 -0.208 -8.007 -2.856 558 1HB ALA 12 1HB ALA 12 -2.288 -6.923 -3.766 559 2HB ALA 12 2HB ALA 12 -3.009 -7.102 -2.167 560 3HB ALA 12 3HB ALA 12 -2.562 -8.532 -3.094 561 H ILE 13 H ILE 13 -1.688 -5.746 -0.582 562 HA ILE 13 HA ILE 13 -0.811 -3.369 -1.805 563 HB ILE 13 HB ILE 13 -1.201 -3.989 1.154 564 1HG1 ILE 13 2HG1 ILE 13 -3.105 -2.615 -0.716 565 2HG1 ILE 13 1HG1 ILE 13 -3.113 -4.364 -0.536 566 1HG2 ILE 13 1HG2 ILE 13 -1.719 -1.532 1.277 567 2HG2 ILE 13 2HG2 ILE 13 -1.094 -1.372 -0.368 568 3HG2 ILE 13 3HG2 ILE 13 -0.024 -1.879 0.927 569 1HD1 ILE 13 1HD1 ILE 13 -3.488 -2.350 1.664 570 2HD1 ILE 13 2HD1 ILE 13 -3.482 -4.093 1.887 571 3HD1 ILE 13 3HD1 ILE 13 -4.766 -3.328 0.947 572 H GLY 14 H GLY 14 0.648 -5.573 0.519 573 1HA GLY 14 2HA GLY 14 3.086 -4.209 0.937 574 2HA GLY 14 1HA GLY 14 2.832 -5.943 1.122 575 H GLU 15 H GLU 15 2.088 -6.589 -1.505 576 HA GLU 15 HA GLU 15 4.625 -6.893 -2.702 577 1HB GLU 15 2HB GLU 15 2.496 -8.342 -2.911 578 2HB GLU 15 1HB GLU 15 2.048 -7.236 -4.182 579 1HG GLU 15 2HG GLU 15 3.627 -8.059 -5.644 580 2HG GLU 15 1HG GLU 15 4.824 -8.215 -4.355 581 H ILE 16 H ILE 16 1.826 -4.775 -3.418 582 HA ILE 16 HA ILE 16 2.894 -3.642 -5.789 583 HB ILE 16 HB ILE 16 1.575 -1.789 -3.785 584 1HG1 ILE 16 2HG1 ILE 16 0.189 -3.873 -3.815 585 2HG1 ILE 16 1HG1 ILE 16 -0.646 -2.458 -4.397 586 1HG2 ILE 16 1HG2 ILE 16 2.319 -0.849 -5.888 587 2HG2 ILE 16 2HG2 ILE 16 0.560 -0.860 -5.846 588 3HG2 ILE 16 3HG2 ILE 16 1.424 -2.061 -6.798 589 1HD1 ILE 16 1HD1 ILE 16 0.718 -4.447 -6.200 590 2HD1 ILE 16 2HD1 ILE 16 -0.339 -3.110 -6.673 591 3HD1 ILE 16 3HD1 ILE 16 -1.000 -4.495 -5.798 592 H MET 17 H MET 17 3.146 -2.604 -2.458 593 HA MET 17 HA MET 17 4.898 -0.433 -2.743 594 1HB MET 17 2HB MET 17 4.500 -2.241 -0.376 595 2HB MET 17 1HB MET 17 5.124 -0.583 -0.366 596 1HG MET 17 2HG MET 17 2.400 -1.282 -1.476 597 2HG MET 17 1HG MET 17 2.641 -0.806 0.195 598 1HE MET 17 1HE MET 17 4.832 2.066 -0.239 599 2HE MET 17 2HE MET 17 4.136 0.775 0.766 600 3HE MET 17 3HE MET 17 3.294 2.325 0.603 601 H ARG 18 H ARG 18 5.529 -3.903 -2.426 602 HA ARG 18 HA ARG 18 8.316 -3.692 -1.915 603 1HB ARG 18 2HB ARG 18 6.617 -5.887 -2.995 604 2HB ARG 18 1HB ARG 18 8.351 -6.064 -2.842 605 1HG ARG 18 2HG ARG 18 7.415 -4.991 -0.383 606 2HG ARG 18 1HG ARG 18 6.329 -6.299 -0.819 607 1HD ARG 18 2HD ARG 18 9.318 -6.643 -0.919 608 2HD ARG 18 1HD ARG 18 8.403 -6.912 0.563 609 HE ARG 18 HE ARG 18 7.413 -8.340 -1.776 610 1HH1 ARG 18 1HH2 ARG 18 10.277 -9.205 -1.086 611 2HH1 ARG 18 2HH2 ARG 18 9.976 -10.551 -0.041 612 1HH2 ARG 18 1HH1 ARG 18 6.656 -9.732 0.493 613 2HH2 ARG 18 2HH1 ARG 18 7.927 -10.849 0.852 614 H LEU 19 H LEU 19 6.379 -3.815 -4.863 615 HA LEU 19 HA LEU 19 8.438 -4.245 -6.727 616 1HB LEU 19 2HB LEU 19 5.924 -2.620 -7.077 617 2HB LEU 19 1HB LEU 19 6.945 -3.186 -8.369 618 HG LEU 19 HG LEU 19 5.589 -5.024 -6.398 619 1HD1 LEU 19 1HD1 LEU 19 3.975 -5.468 -8.226 620 2HD1 LEU 19 2HD1 LEU 19 4.713 -4.171 -9.166 621 3HD1 LEU 19 3HD1 LEU 19 3.886 -3.811 -7.650 622 1HD2 LEU 19 1HD2 LEU 19 6.290 -5.890 -9.116 623 2HD2 LEU 19 2HD2 LEU 19 6.463 -6.731 -7.580 624 3HD2 LEU 19 3HD2 LEU 19 7.656 -5.534 -8.068 625 HA PRO 20 HA PRO 20 10.386 -0.252 -6.064 626 1HB PRO 20 2HB PRO 20 12.664 -1.232 -7.533 627 2HB PRO 20 1HB PRO 20 12.509 -0.982 -5.792 628 1HG PRO 20 2HG PRO 20 12.788 -3.414 -7.002 629 2HG PRO 20 1HG PRO 20 12.066 -3.157 -5.405 630 1HD PRO 20 2HD PRO 20 10.709 -3.592 -8.041 631 2HD PRO 20 1HD PRO 20 10.277 -4.196 -6.424 632 H ASN 21 H ASN 21 9.113 -1.558 -8.854 633 HA ASN 21 HA ASN 21 10.275 0.505 -10.617 634 1HB ASN 21 2HB ASN 21 8.709 -1.983 -11.285 635 2HB ASN 21 1HB ASN 21 9.377 -0.858 -12.455 636 1HD2 ASN 21 1HD2 ASN 21 10.092 -3.700 -12.201 637 2HD2 ASN 21 2HD2 ASN 21 11.748 -3.750 -11.828 638 H LEU 22 H LEU 22 7.359 -0.293 -8.915 639 HA LEU 22 HA LEU 22 5.576 1.065 -10.710 640 1HB LEU 22 2HB LEU 22 5.179 0.320 -7.818 641 2HB LEU 22 1HB LEU 22 3.927 0.942 -8.870 642 HG LEU 22 HG LEU 22 5.414 -1.682 -9.105 643 1HD1 LEU 22 1HD1 LEU 22 2.996 -2.511 -9.133 644 2HD1 LEU 22 2HD1 LEU 22 2.523 -0.875 -8.676 645 3HD1 LEU 22 3HD1 LEU 22 3.544 -1.825 -7.599 646 1HD2 LEU 22 1HD2 LEU 22 3.773 -0.120 -11.054 647 2HD2 LEU 22 2HD2 LEU 22 3.755 -1.873 -11.103 648 3HD2 LEU 22 3HD2 LEU 22 5.276 -1.007 -11.327 649 H ASN 23 H ASN 23 4.436 2.948 -10.357 650 HA ASN 23 HA ASN 23 6.017 5.135 -9.269 651 1HB ASN 23 2HB ASN 23 5.161 5.861 -11.255 652 2HB ASN 23 1HB ASN 23 3.852 4.728 -11.234 653 1HD2 ASN 23 1HD2 ASN 23 4.802 7.568 -9.261 654 2HD2 ASN 23 2HD2 ASN 23 3.267 8.279 -9.308 655 H SER 24 H SER 24 5.050 6.684 -7.754 656 HA SER 24 HA SER 24 3.844 5.506 -5.512 657 1HB SER 24 2HB SER 24 3.466 7.808 -4.736 658 2HB SER 24 1HB SER 24 5.063 7.653 -5.455 659 HG SER 24 HG SER 24 4.111 8.456 -7.417 660 H LEU 25 H LEU 25 2.449 7.354 -8.175 661 HA LEU 25 HA LEU 25 -0.238 7.198 -7.286 662 1HB LEU 25 2HB LEU 25 1.171 8.448 -9.432 663 2HB LEU 25 1HB LEU 25 -0.180 7.563 -10.083 664 HG LEU 25 HG LEU 25 -0.344 9.504 -7.821 665 1HD1 LEU 25 1HD1 LEU 25 -1.195 9.783 -10.713 666 2HD1 LEU 25 2HD1 LEU 25 0.145 10.639 -9.949 667 3HD1 LEU 25 3HD1 LEU 25 -1.513 10.964 -9.442 668 1HD2 LEU 25 1HD2 LEU 25 -2.196 8.254 -7.427 669 2HD2 LEU 25 2HD2 LEU 25 -2.167 7.554 -9.045 670 3HD2 LEU 25 3HD2 LEU 25 -2.868 9.153 -8.788 671 H GLN 26 H GLN 26 1.774 5.212 -9.438 672 HA GLN 26 HA GLN 26 -0.311 3.632 -10.505 673 1HB GLN 26 2HB GLN 26 2.626 3.194 -10.080 674 2HB GLN 26 1HB GLN 26 1.604 1.907 -10.707 675 1HG GLN 26 2HG GLN 26 0.916 3.357 -12.580 676 2HG GLN 26 1HG GLN 26 1.939 4.658 -11.947 677 1HE2 GLN 26 1HE2 GLN 26 3.625 1.935 -11.175 678 2HE2 GLN 26 2HE2 GLN 26 4.571 1.783 -12.574 679 H VAL 27 H VAL 27 1.738 3.378 -7.682 680 HA VAL 27 HA VAL 27 0.829 0.870 -6.800 681 HB VAL 27 HB VAL 27 2.171 3.157 -5.367 682 1HG1 VAL 27 1HG1 VAL 27 1.408 2.145 -3.463 683 2HG1 VAL 27 2HG1 VAL 27 2.645 0.944 -3.822 684 3HG1 VAL 27 3HG1 VAL 27 0.976 0.659 -4.301 685 1HG2 VAL 27 1HG2 VAL 27 2.959 0.845 -6.995 686 2HG2 VAL 27 2HG2 VAL 27 3.811 0.913 -5.450 687 3HG2 VAL 27 3HG2 VAL 27 3.893 2.276 -6.563 688 H VAL 28 H VAL 28 -0.139 4.167 -6.054 689 HA VAL 28 HA VAL 28 -2.191 3.524 -4.242 690 HB VAL 28 HB VAL 28 -1.967 5.870 -6.155 691 1HG1 VAL 28 1HG1 VAL 28 -4.115 5.017 -4.576 692 2HG1 VAL 28 2HG1 VAL 28 -3.915 6.612 -5.298 693 3HG1 VAL 28 3HG1 VAL 28 -3.370 6.315 -3.646 694 1HG2 VAL 28 1HG2 VAL 28 -0.300 5.197 -4.001 695 2HG2 VAL 28 2HG2 VAL 28 -1.435 6.354 -3.309 696 3HG2 VAL 28 3HG2 VAL 28 -0.470 6.798 -4.721 697 H ALA 29 H ALA 29 -1.958 3.598 -7.750 698 HA ALA 29 HA ALA 29 -4.672 3.453 -8.446 699 1HB ALA 29 1HB ALA 29 -2.786 1.868 -10.099 700 2HB ALA 29 2HB ALA 29 -2.316 3.547 -9.840 701 3HB ALA 29 3HB ALA 29 -3.878 3.175 -10.569 702 H PHE 30 H PHE 30 -2.255 0.944 -7.736 703 HA PHE 30 HA PHE 30 -4.059 -1.196 -8.110 704 1HB PHE 30 2HB PHE 30 -1.325 -1.006 -6.801 705 2HB PHE 30 1HB PHE 30 -2.182 -2.514 -7.132 706 HD1 PHE 30 1HD PHE 30 -3.253 -2.453 -9.780 707 HD2 PHE 30 2HD PHE 30 0.338 -0.495 -8.366 708 HE1 PHE 30 1HE PHE 30 -2.399 -2.285 -12.074 709 HE2 PHE 30 2HE PHE 30 1.150 -0.360 -10.668 710 HZ PHE 30 HZ PHE 30 -0.209 -1.259 -12.530 711 H ILE 31 H ILE 31 -2.773 0.519 -5.245 712 HA ILE 31 HA ILE 31 -3.988 -1.066 -3.264 713 HB ILE 31 HB ILE 31 -3.369 1.902 -3.238 714 1HG1 ILE 31 2HG1 ILE 31 -1.796 -0.379 -2.005 715 2HG1 ILE 31 1HG1 ILE 31 -1.445 0.240 -3.612 716 1HG2 ILE 31 1HG2 ILE 31 -4.949 1.385 -1.462 717 2HG2 ILE 31 2HG2 ILE 31 -3.348 1.577 -0.746 718 3HG2 ILE 31 3HG2 ILE 31 -4.015 -0.035 -0.998 719 1HD1 ILE 31 1HD1 ILE 31 -1.458 1.875 -1.054 720 2HD1 ILE 31 2HD1 ILE 31 -1.122 2.501 -2.672 721 3HD1 ILE 31 3HD1 ILE 31 -0.011 1.347 -1.924 722 H ASN 32 H ASN 32 -5.133 1.873 -4.877 723 HA ASN 32 HA ASN 32 -7.627 2.089 -3.609 724 1HB ASN 32 2HB ASN 32 -6.403 3.770 -5.136 725 2HB ASN 32 1HB ASN 32 -7.118 2.887 -6.475 726 1HD2 ASN 32 1HD2 ASN 32 -7.861 5.494 -6.259 727 2HD2 ASN 32 2HD2 ASN 32 -9.442 5.640 -5.658 728 H SER 33 H SER 33 -6.546 0.020 -6.272 729 HA SER 33 HA SER 33 -9.196 -0.654 -7.094 730 1HB SER 33 2HB SER 33 -6.463 -1.473 -7.851 731 2HB SER 33 1HB SER 33 -7.807 -2.536 -8.276 732 HG SER 33 HG SER 33 -8.793 -0.636 -9.205 733 H LEU 34 H LEU 34 -6.865 -1.829 -4.765 734 HA LEU 34 HA LEU 34 -8.062 -4.389 -4.312 735 1HB LEU 34 2HB LEU 34 -6.829 -2.760 -2.093 736 2HB LEU 34 1HB LEU 34 -6.809 -4.497 -2.322 737 HG LEU 34 HG LEU 34 -5.260 -2.450 -3.894 738 1HD1 LEU 34 1HD1 LEU 34 -3.407 -3.140 -2.787 739 2HD1 LEU 34 2HD1 LEU 34 -4.007 -4.796 -2.583 740 3HD1 LEU 34 3HD1 LEU 34 -4.617 -3.500 -1.553 741 1HD2 LEU 34 1HD2 LEU 34 -5.828 -4.042 -5.496 742 2HD2 LEU 34 2HD2 LEU 34 -5.713 -5.354 -4.351 743 3HD2 LEU 34 3HD2 LEU 34 -4.257 -4.580 -4.925 744 H ARG 35 H ARG 35 -8.433 -1.133 -3.071 745 HA ARG 35 HA ARG 35 -10.514 -1.465 -1.193 746 1HB ARG 35 2HB ARG 35 -9.198 0.685 -2.601 747 2HB ARG 35 1HB ARG 35 -10.931 0.953 -2.669 748 1HG ARG 35 2HG ARG 35 -10.942 1.652 -0.538 749 2HG ARG 35 1HG ARG 35 -10.202 0.152 0.008 750 1HD ARG 35 2HD ARG 35 -7.986 1.195 -0.884 751 2HD ARG 35 1HD ARG 35 -8.878 2.714 -0.845 752 HE ARG 35 HE ARG 35 -7.811 1.337 1.408 753 1HH1 ARG 35 1HH2 ARG 35 -10.710 1.140 2.046 754 2HH1 ARG 35 2HH2 ARG 35 -11.032 2.637 2.853 755 1HH2 ARG 35 1HH1 ARG 35 -8.145 4.174 1.714 756 2HH2 ARG 35 2HH1 ARG 35 -9.581 4.354 2.662 757 H ASP 36 H ASP 36 -10.571 -0.839 -4.677 758 HA ASP 36 HA ASP 36 -13.377 -0.778 -5.030 759 1HB ASP 36 2HB ASP 36 -11.738 0.114 -6.665 760 2HB ASP 36 1HB ASP 36 -11.210 -1.529 -7.020 761 H ASP 37 H ASP 37 -10.996 -3.374 -5.174 762 HA ASP 37 HA ASP 37 -13.071 -5.387 -4.824 763 1HB ASP 37 2HB ASP 37 -11.706 -4.908 -7.398 764 2HB ASP 37 1HB ASP 37 -11.666 -6.578 -6.850 765 HA PRO 38 HA PRO 38 -9.347 -6.474 -2.508 766 1HB PRO 38 2HB PRO 38 -11.076 -7.888 -0.702 767 2HB PRO 38 1HB PRO 38 -10.164 -6.406 -0.414 768 1HG PRO 38 2HG PRO 38 -12.920 -6.625 -0.580 769 2HG PRO 38 1HG PRO 38 -11.982 -5.129 -0.683 770 1HD PRO 38 2HD PRO 38 -13.294 -6.662 -2.844 771 2HD PRO 38 1HD PRO 38 -12.854 -4.941 -2.775 772 H SER 39 H SER 39 -11.987 -8.364 -3.755 773 HA SER 39 HA SER 39 -10.949 -10.969 -3.313 774 1HB SER 39 2HB SER 39 -13.328 -10.461 -3.939 775 2HB SER 39 1HB SER 39 -12.769 -10.035 -5.553 776 HG SER 39 HG SER 39 -12.027 -12.137 -5.807 777 H GLN 40 H GLN 40 -10.730 -8.624 -5.942 778 HA GLN 40 HA GLN 40 -8.784 -10.296 -7.305 779 1HB GLN 40 2HB GLN 40 -9.467 -7.778 -8.617 780 2HB GLN 40 1HB GLN 40 -9.407 -9.398 -9.255 781 1HG GLN 40 2HG GLN 40 -11.670 -8.516 -7.468 782 2HG GLN 40 1HG GLN 40 -11.718 -8.293 -9.209 783 1HE2 GLN 40 1HE2 GLN 40 -13.062 -9.907 -10.021 784 2HE2 GLN 40 2HE2 GLN 40 -12.980 -11.545 -9.586 785 H SER 41 H SER 41 -8.321 -8.712 -4.768 786 HA SER 41 HA SER 41 -6.769 -6.464 -5.297 787 1HB SER 41 2HB SER 41 -7.356 -7.038 -3.007 788 2HB SER 41 1HB SER 41 -6.576 -8.612 -3.147 789 HG SER 41 HG SER 41 -5.523 -6.175 -2.532 790 H ALA 42 H ALA 42 -6.146 -9.824 -5.541 791 HA ALA 42 HA ALA 42 -3.318 -9.763 -5.939 792 1HB ALA 42 1HB ALA 42 -4.793 -11.706 -5.160 793 2HB ALA 42 2HB ALA 42 -3.546 -12.081 -6.355 794 3HB ALA 42 3HB ALA 42 -5.231 -11.899 -6.860 795 H ASN 43 H ASN 43 -6.132 -9.384 -7.947 796 HA ASN 43 HA ASN 43 -5.051 -10.030 -10.465 797 1HB ASN 43 2HB ASN 43 -7.436 -9.925 -9.804 798 2HB ASN 43 1HB ASN 43 -7.296 -8.168 -9.875 799 1HD2 ASN 43 1HD2 ASN 43 -6.824 -11.095 -11.920 800 2HD2 ASN 43 2HD2 ASN 43 -7.167 -10.307 -13.384 801 H LEU 44 H LEU 44 -5.773 -6.875 -8.997 802 HA LEU 44 HA LEU 44 -4.446 -5.548 -11.099 803 1HB LEU 44 2HB LEU 44 -5.016 -3.473 -10.044 804 2HB LEU 44 1HB LEU 44 -6.403 -4.533 -10.015 805 HG LEU 44 HG LEU 44 -6.026 -3.232 -7.963 806 1HD1 LEU 44 1HD1 LEU 44 -5.848 -6.010 -7.090 807 2HD1 LEU 44 2HD1 LEU 44 -7.093 -5.644 -8.277 808 3HD1 LEU 44 3HD1 LEU 44 -7.059 -4.769 -6.743 809 1HD2 LEU 44 1HD2 LEU 44 -3.449 -3.815 -8.118 810 2HD2 LEU 44 2HD2 LEU 44 -3.979 -5.084 -7.014 811 3HD2 LEU 44 3HD2 LEU 44 -4.254 -3.396 -6.630 812 H LEU 45 H LEU 45 -3.664 -6.895 -8.062 813 HA LEU 45 HA LEU 45 -1.155 -5.611 -7.627 814 1HB LEU 45 2HB LEU 45 -1.849 -6.856 -5.764 815 2HB LEU 45 1HB LEU 45 -2.460 -8.170 -6.757 816 HG LEU 45 HG LEU 45 -0.144 -8.820 -7.329 817 1HD1 LEU 45 1HD1 LEU 45 1.722 -7.779 -6.135 818 2HD1 LEU 45 2HD1 LEU 45 0.613 -6.651 -5.358 819 3HD1 LEU 45 3HD1 LEU 45 0.869 -6.582 -7.095 820 1HD2 LEU 45 1HD2 LEU 45 -1.408 -9.037 -4.758 821 2HD2 LEU 45 2HD2 LEU 45 0.335 -8.946 -4.532 822 3HD2 LEU 45 3HD2 LEU 45 -0.355 -10.189 -5.570 823 H ALA 46 H ALA 46 -2.475 -8.223 -9.454 824 HA ALA 46 HA ALA 46 -0.086 -9.350 -10.490 825 1HB ALA 46 1HB ALA 46 -2.880 -9.806 -10.768 826 2HB ALA 46 2HB ALA 46 -1.572 -10.770 -11.458 827 3HB ALA 46 3HB ALA 46 -2.281 -9.453 -12.389 828 H GLU 47 H GLU 47 -2.311 -6.832 -11.521 829 HA GLU 47 HA GLU 47 -1.068 -6.063 -13.924 830 1HB GLU 47 2HB GLU 47 -2.727 -4.443 -11.967 831 2HB GLU 47 1HB GLU 47 -2.264 -3.897 -13.572 832 1HG GLU 47 2HG GLU 47 -3.999 -6.261 -12.871 833 2HG GLU 47 1HG GLU 47 -4.525 -4.750 -13.586 834 H ALA 48 H ALA 48 -0.531 -5.295 -10.554 835 HA ALA 48 HA ALA 48 1.182 -3.066 -10.880 836 1HB ALA 48 1HB ALA 48 -0.127 -4.291 -8.825 837 2HB ALA 48 2HB ALA 48 1.141 -3.083 -8.617 838 3HB ALA 48 3HB ALA 48 1.537 -4.802 -8.539 839 H LYS 49 H LYS 49 1.769 -6.474 -10.166 840 HA LYS 49 HA LYS 49 4.596 -6.276 -10.103 841 1HB LYS 49 2HB LYS 49 2.647 -8.538 -10.496 842 2HB LYS 49 1HB LYS 49 4.387 -8.809 -10.480 843 1HG LYS 49 2HG LYS 49 4.467 -7.723 -8.231 844 2HG LYS 49 1HG LYS 49 2.706 -7.625 -8.261 845 1HD LYS 49 2HD LYS 49 4.259 -10.216 -8.570 846 2HD LYS 49 1HD LYS 49 3.603 -9.647 -7.042 847 1HE LYS 49 2HE LYS 49 1.408 -9.439 -8.690 848 2HE LYS 49 1HE LYS 49 2.214 -10.865 -9.340 849 1HZ LYS 49 1HZ LYS 49 2.121 -11.937 -7.279 850 2HZ LYS 49 2HZ LYS 49 0.586 -11.231 -7.464 851 3HZ LYS 49 3HZ LYS 49 1.737 -10.511 -6.442 852 H LYS 50 H LYS 50 2.200 -6.707 -12.595 853 HA LYS 50 HA LYS 50 4.017 -7.241 -14.750 854 1HB LYS 50 2HB LYS 50 1.144 -6.393 -14.617 855 2HB LYS 50 1HB LYS 50 2.014 -6.485 -16.146 856 1HG LYS 50 2HG LYS 50 2.644 -8.875 -15.513 857 2HG LYS 50 1HG LYS 50 1.479 -8.749 -14.200 858 1HD LYS 50 2HD LYS 50 0.804 -8.269 -17.117 859 2HD LYS 50 1HD LYS 50 0.549 -9.801 -16.285 860 1HE LYS 50 2HE LYS 50 -0.829 -8.462 -14.575 861 2HE LYS 50 1HE LYS 50 -0.791 -7.147 -15.749 862 1HZ LYS 50 1HZ LYS 50 -1.687 -8.749 -17.398 863 2HZ LYS 50 2HZ LYS 50 -2.752 -8.403 -16.120 864 3HZ LYS 50 3HZ LYS 50 -1.894 -9.870 -16.143 865 H LEU 51 H LEU 51 2.515 -4.366 -13.346 866 HA LEU 51 HA LEU 51 3.461 -2.557 -15.354 867 1HB LEU 51 2HB LEU 51 2.017 -2.367 -12.824 868 2HB LEU 51 1HB LEU 51 3.214 -1.089 -12.989 869 HG LEU 51 HG LEU 51 0.976 -0.515 -13.944 870 1HD1 LEU 51 1HD1 LEU 51 2.152 0.009 -16.315 871 2HD1 LEU 51 2HD1 LEU 51 3.585 -0.449 -15.385 872 3HD1 LEU 51 3HD1 LEU 51 2.551 0.884 -14.832 873 1HD2 LEU 51 1HD2 LEU 51 -0.059 -2.059 -15.230 874 2HD2 LEU 51 2HD2 LEU 51 1.377 -3.084 -15.227 875 3HD2 LEU 51 3HD2 LEU 51 1.189 -1.831 -16.456 876 H ASN 52 H ASN 52 4.577 -3.725 -12.307 877 HA ASN 52 HA ASN 52 6.892 -2.165 -11.985 878 1HB ASN 52 2HB ASN 52 6.290 -3.422 -10.128 879 2HB ASN 52 1HB ASN 52 5.903 -4.843 -11.074 880 1HD2 ASN 52 1HD2 ASN 52 8.425 -3.137 -9.455 881 2HD2 ASN 52 2HD2 ASN 52 9.636 -4.299 -9.670 882 H ASP 53 H ASP 53 6.103 -5.171 -13.510 883 HA ASP 53 HA ASP 53 8.684 -5.796 -14.555 884 1HB ASP 53 2HB ASP 53 6.741 -7.408 -14.344 885 2HB ASP 53 1HB ASP 53 6.032 -6.616 -15.748 886 H ALA 54 H ALA 54 5.956 -3.926 -15.704 887 HA ALA 54 HA ALA 54 6.770 -3.530 -18.376 888 1HB ALA 54 1HB ALA 54 4.494 -3.087 -17.205 889 2HB ALA 54 2HB ALA 54 5.006 -2.017 -18.511 890 3HB ALA 54 3HB ALA 54 5.185 -1.507 -16.833 891 H GLN 55 H GLN 55 7.380 -1.756 -15.376 892 HA GLN 55 HA GLN 55 9.002 0.240 -16.761 893 1HB GLN 55 2HB GLN 55 8.225 -0.118 -13.908 894 2HB GLN 55 1HB GLN 55 9.181 1.223 -14.499 895 1HG GLN 55 2HG GLN 55 7.389 2.175 -15.612 896 2HG GLN 55 1HG GLN 55 6.583 0.625 -15.849 897 1HE2 GLN 55 1HE2 GLN 55 6.110 -0.461 -13.517 898 2HE2 GLN 55 2HE2 GLN 55 5.326 0.582 -12.432 899 H ALA 56 H ALA 56 9.479 -2.828 -15.587 900 HA ALA 56 HA ALA 56 11.947 -2.584 -14.195 901 1HB ALA 56 1HB ALA 56 10.965 -4.953 -15.796 902 2HB ALA 56 2HB ALA 56 10.510 -4.620 -14.125 903 3HB ALA 56 3HB ALA 56 12.189 -4.970 -14.529 904 HA PRO 57 HA PRO 57 14.830 -2.145 -17.431 905 1HB PRO 57 2HB PRO 57 16.861 -3.750 -16.160 906 2HB PRO 57 1HB PRO 57 16.669 -1.993 -16.116 907 1HG PRO 57 2HG PRO 57 16.362 -3.644 -13.956 908 2HG PRO 57 1HG PRO 57 15.646 -2.031 -14.107 909 1HD PRO 57 2HD PRO 57 14.379 -4.709 -14.576 910 2HD PRO 57 1HD PRO 57 13.706 -3.261 -13.789 911 H LYS 58 H LYS 58 16.729 -3.581 -18.549 912 HA LYS 58 HA LYS 58 15.393 -5.549 -20.094 913 1HB LYS 58 2HB LYS 58 18.327 -4.992 -19.916 914 2HB LYS 58 1HB LYS 58 17.515 -5.839 -21.214 915 1HG LYS 58 2HG LYS 58 16.998 -2.946 -20.445 916 2HG LYS 58 1HG LYS 58 18.012 -3.462 -21.791 917 1HD LYS 58 2HD LYS 58 16.009 -4.689 -22.728 918 2HD LYS 58 1HD LYS 58 15.031 -3.932 -21.469 919 1HE LYS 58 2HE LYS 58 15.733 -1.695 -22.298 920 2HE LYS 58 1HE LYS 58 16.640 -2.479 -23.593 921 1HZ LYS 58 1HZ LYS 58 13.716 -2.724 -23.131 922 2HZ LYS 58 2HZ LYS 58 14.590 -3.482 -24.376 923 3HZ LYS 58 3HZ LYS 58 14.451 -1.790 -24.342 Start of MODEL 17 1 1H VAL 1 1HT VAL 1 13.809 -13.000 7.745 2 2H VAL 1 2HT VAL 1 15.217 -13.246 6.826 3 3H VAL 1 3HT VAL 1 14.436 -14.565 7.560 4 HA VAL 1 HA VAL 1 13.503 -12.937 5.271 5 HB VAL 1 HB VAL 1 13.929 -15.927 5.638 6 1HG1 VAL 1 1HG1 VAL 1 12.197 -15.503 3.996 7 2HG1 VAL 1 2HG1 VAL 1 13.671 -15.923 3.127 8 3HG1 VAL 1 3HG1 VAL 1 13.162 -14.239 3.233 9 1HG2 VAL 1 1HG2 VAL 1 15.829 -15.541 4.025 10 2HG2 VAL 1 2HG2 VAL 1 16.079 -14.792 5.601 11 3HG2 VAL 1 3HG2 VAL 1 15.584 -13.805 4.225 12 H ASP 2 H ASP 2 11.425 -12.406 5.399 13 HA ASP 2 HA ASP 2 9.405 -14.341 6.154 14 1HB ASP 2 2HB ASP 2 8.438 -13.017 7.965 15 2HB ASP 2 1HB ASP 2 10.105 -13.431 8.361 16 H ASN 3 H ASN 3 7.190 -13.326 6.008 17 HA ASN 3 HA ASN 3 7.145 -11.326 3.826 18 1HB ASN 3 2HB ASN 3 5.078 -12.287 3.097 19 2HB ASN 3 1HB ASN 3 6.186 -13.626 3.370 20 1HD2 ASN 3 1HD2 ASN 3 3.125 -13.462 3.544 21 2HD2 ASN 3 2HD2 ASN 3 2.764 -14.087 5.080 22 H LYS 4 H LYS 4 6.838 -11.510 7.073 23 HA LYS 4 HA LYS 4 4.408 -10.226 7.686 24 1HB LYS 4 2HB LYS 4 6.000 -11.336 9.314 25 2HB LYS 4 1HB LYS 4 7.000 -9.887 9.205 26 1HG LYS 4 2HG LYS 4 5.014 -8.521 9.876 27 2HG LYS 4 1HG LYS 4 4.106 -10.013 10.100 28 1HD LYS 4 2HD LYS 4 5.759 -10.760 11.785 29 2HD LYS 4 1HD LYS 4 6.641 -9.245 11.581 30 1HE LYS 4 2HE LYS 4 3.711 -9.118 12.198 31 2HE LYS 4 1HE LYS 4 4.830 -9.506 13.506 32 1HZ LYS 4 1HZ LYS 4 5.784 -7.342 11.919 33 2HZ LYS 4 2HZ LYS 4 5.508 -7.408 13.595 34 3HZ LYS 4 3HZ LYS 4 4.242 -7.005 12.538 35 H PHE 5 H PHE 5 7.646 -8.890 7.032 36 HA PHE 5 HA PHE 5 7.053 -6.203 7.444 37 1HB PHE 5 2HB PHE 5 9.124 -5.726 6.512 38 2HB PHE 5 1HB PHE 5 9.341 -7.401 7.005 39 HD1 PHE 5 1HD PHE 5 9.195 -5.083 4.211 40 HD2 PHE 5 2HD PHE 5 9.125 -9.242 5.279 41 HE1 PHE 5 1HE PHE 5 9.727 -5.691 1.872 42 HE2 PHE 5 2HE PHE 5 9.659 -9.848 2.934 43 HZ PHE 5 HZ PHE 5 9.962 -8.073 1.235 44 H ASN 6 H ASN 6 6.652 -8.251 4.585 45 HA ASN 6 HA ASN 6 5.840 -6.200 2.782 46 1HB ASN 6 2HB ASN 6 6.543 -8.349 1.936 47 2HB ASN 6 1HB ASN 6 5.285 -9.167 2.844 48 1HD2 ASN 6 1HD2 ASN 6 4.013 -9.995 1.137 49 2HD2 ASN 6 2HD2 ASN 6 3.294 -9.016 -0.052 50 H LYS 7 H LYS 7 4.098 -8.456 4.882 51 HA LYS 7 HA LYS 7 1.481 -7.732 4.179 52 1HB LYS 7 2HB LYS 7 2.322 -9.710 5.617 53 2HB LYS 7 1HB LYS 7 2.331 -8.567 6.958 54 1HG LYS 7 2HG LYS 7 -0.018 -8.196 6.794 55 2HG LYS 7 1HG LYS 7 -0.109 -8.989 5.222 56 1HD LYS 7 2HD LYS 7 1.004 -10.951 6.861 57 2HD LYS 7 1HD LYS 7 -0.169 -10.164 7.915 58 1HE LYS 7 2HE LYS 7 -0.932 -10.978 5.110 59 2HE LYS 7 1HE LYS 7 -0.977 -12.144 6.426 60 1HZ LYS 7 1HZ LYS 7 -2.675 -11.070 7.454 61 2HZ LYS 7 2HZ LYS 7 -3.034 -10.640 5.849 62 3HZ LYS 7 3HZ LYS 7 -2.233 -9.541 6.869 63 H GLU 8 H GLU 8 3.825 -6.499 6.484 64 HA GLU 8 HA GLU 8 2.131 -4.535 7.646 65 1HB GLU 8 2HB GLU 8 5.109 -5.007 7.687 66 2HB GLU 8 1HB GLU 8 4.368 -3.633 8.516 67 1HG GLU 8 2HG GLU 8 2.978 -5.150 9.847 68 2HG GLU 8 1HG GLU 8 3.624 -6.540 8.980 69 H LEU 9 H LEU 9 4.523 -4.512 5.108 70 HA LEU 9 HA LEU 9 4.699 -1.722 4.575 71 1HB LEU 9 2HB LEU 9 6.317 -3.299 3.693 72 2HB LEU 9 1HB LEU 9 5.059 -4.160 2.816 73 HG LEU 9 HG LEU 9 4.624 -1.950 1.581 74 1HD1 LEU 9 1HD1 LEU 9 7.359 -1.063 1.807 75 2HD1 LEU 9 2HD1 LEU 9 6.570 -0.961 3.389 76 3HD1 LEU 9 3HD1 LEU 9 5.878 -0.156 1.974 77 1HD2 LEU 9 1HD2 LEU 9 6.513 -2.368 0.055 78 2HD2 LEU 9 2HD2 LEU 9 5.706 -3.851 0.561 79 3HD2 LEU 9 3HD2 LEU 9 7.248 -3.399 1.279 80 H GLY 10 H GLY 10 2.470 -4.236 3.437 81 1HA GLY 10 2HA GLY 10 1.071 -2.478 1.689 82 2HA GLY 10 1HA GLY 10 0.548 -4.073 2.219 83 H TRP 11 H TRP 11 0.784 -3.626 4.980 84 HA TRP 11 HA TRP 11 -1.741 -2.496 5.429 85 1HB TRP 11 2HB TRP 11 -0.145 -4.220 6.812 86 2HB TRP 11 1HB TRP 11 -0.155 -2.772 7.814 87 HD1 TRP 11 HD TRP 11 -1.718 -3.675 9.586 88 HE1 TRP 11 1HE TRP 11 -4.221 -4.298 9.623 89 HE3 TRP 11 3HE TRP 11 -2.827 -3.530 4.570 90 HZ2 TRP 11 2HZ TRP 11 -6.357 -4.595 7.820 91 HZ3 TRP 11 3HZ TRP 11 -5.107 -3.929 3.781 92 HH2 TRP 11 HH TRP 11 -6.907 -4.477 5.408 93 H ALA 12 H ALA 12 1.427 -1.326 6.348 94 HA ALA 12 HA ALA 12 0.356 0.906 7.591 95 1HB ALA 12 1HB ALA 12 2.569 1.056 8.054 96 2HB ALA 12 2HB ALA 12 2.781 1.768 6.453 97 3HB ALA 12 3HB ALA 12 2.980 0.031 6.685 98 H THR 13 H THR 13 1.195 0.161 4.241 99 HA THR 13 HA THR 13 0.693 2.615 2.972 100 HB THR 13 HB THR 13 0.619 -0.258 2.201 101 HG1 THR 13 1HG THR 13 2.478 1.219 2.314 102 1HG2 THR 13 1HG2 THR 13 0.066 0.431 -0.130 103 2HG2 THR 13 2HG2 THR 13 -0.373 2.025 0.482 104 3HG2 THR 13 3HG2 THR 13 -1.297 0.601 0.977 105 H TRP 14 H TRP 14 -1.479 -0.083 3.715 106 HA TRP 14 HA TRP 14 -3.838 1.057 2.628 107 1HB TRP 14 2HB TRP 14 -3.309 -1.366 3.227 108 2HB TRP 14 1HB TRP 14 -3.706 -0.934 4.875 109 HD1 TRP 14 HD TRP 14 -6.148 -0.982 5.536 110 HE1 TRP 14 1HE TRP 14 -8.376 -1.311 4.306 111 HE3 TRP 14 3HE TRP 14 -4.560 -0.661 0.659 112 HZ2 TRP 14 2HZ TRP 14 -9.348 -1.433 1.635 113 HZ3 TRP 14 3HZ TRP 14 -6.160 -0.897 -1.154 114 HH2 TRP 14 HH TRP 14 -8.517 -1.285 -0.676 115 H GLU 15 H GLU 15 -2.638 0.831 5.967 116 HA GLU 15 HA GLU 15 -4.854 2.065 7.187 117 1HB GLU 15 2HB GLU 15 -1.961 1.823 8.047 118 2HB GLU 15 1HB GLU 15 -3.256 2.405 9.094 119 1HG GLU 15 2HG GLU 15 -4.415 0.291 9.000 120 2HG GLU 15 1HG GLU 15 -3.404 -0.290 7.681 121 H ILE 16 H ILE 16 -1.913 3.342 5.735 122 HA ILE 16 HA ILE 16 -2.347 6.106 6.463 123 HB ILE 16 HB ILE 16 -0.671 4.772 4.278 124 1HG1 ILE 16 2HG1 ILE 16 0.242 6.083 6.830 125 2HG1 ILE 16 1HG1 ILE 16 -0.086 4.379 6.740 126 1HG2 ILE 16 1HG2 ILE 16 -0.362 6.819 3.393 127 2HG2 ILE 16 2HG2 ILE 16 0.415 7.295 4.895 128 3HG2 ILE 16 3HG2 ILE 16 -1.310 7.580 4.669 129 1HD1 ILE 16 1HD1 ILE 16 1.847 3.954 5.602 130 2HD1 ILE 16 2HD1 ILE 16 2.358 5.524 6.206 131 3HD1 ILE 16 3HD1 ILE 16 1.672 5.385 4.582 132 H PHE 17 H PHE 17 -3.157 3.946 3.825 133 HA PHE 17 HA PHE 17 -4.272 5.760 1.942 134 1HB PHE 17 2HB PHE 17 -3.700 3.093 1.997 135 2HB PHE 17 1HB PHE 17 -5.429 3.038 2.202 136 HD1 PHE 17 1HD PHE 17 -6.893 3.471 0.403 137 HD2 PHE 17 2HD PHE 17 -2.687 4.212 -0.051 138 HE1 PHE 17 1HE PHE 17 -7.193 3.641 -2.040 139 HE2 PHE 17 2HE PHE 17 -2.972 4.391 -2.505 140 HZ PHE 17 HZ PHE 17 -5.235 4.097 -3.487 141 H ASN 18 H ASN 18 -5.540 3.962 4.686 142 HA ASN 18 HA ASN 18 -8.286 4.830 4.275 143 1HB ASN 18 2HB ASN 18 -6.937 3.026 6.287 144 2HB ASN 18 1HB ASN 18 -8.640 3.458 6.393 145 1HD2 ASN 18 1HD2 ASN 18 -6.423 2.349 3.745 146 2HD2 ASN 18 2HD2 ASN 18 -7.507 1.186 3.152 147 H LEU 19 H LEU 19 -5.706 6.466 5.586 148 HA LEU 19 HA LEU 19 -6.813 7.239 8.074 149 1HB LEU 19 2HB LEU 19 -4.530 8.102 6.449 150 2HB LEU 19 1HB LEU 19 -5.215 9.371 7.460 151 HG LEU 19 HG LEU 19 -4.330 6.627 8.437 152 1HD1 LEU 19 1HD1 LEU 19 -2.413 7.915 7.941 153 2HD1 LEU 19 2HD1 LEU 19 -2.666 8.105 9.674 154 3HD1 LEU 19 3HD1 LEU 19 -3.154 9.383 8.567 155 1HD2 LEU 19 1HD2 LEU 19 -4.516 8.336 10.606 156 2HD2 LEU 19 2HD2 LEU 19 -5.713 7.114 10.169 157 3HD2 LEU 19 3HD2 LEU 19 -5.921 8.783 9.644 158 HA PRO 20 HA PRO 20 -9.891 9.967 6.394 159 1HB PRO 20 2HB PRO 20 -10.536 10.891 9.055 160 2HB PRO 20 1HB PRO 20 -11.386 9.684 8.078 161 1HG PRO 20 2HG PRO 20 -10.059 9.125 10.384 162 2HG PRO 20 1HG PRO 20 -10.304 7.950 9.077 163 1HD PRO 20 2HD PRO 20 -7.884 9.651 9.640 164 2HD PRO 20 1HD PRO 20 -7.968 7.921 9.257 165 H ASN 21 H ASN 21 -6.962 11.189 7.209 166 HA ASN 21 HA ASN 21 -7.993 13.953 6.901 167 1HB ASN 21 2HB ASN 21 -6.370 12.992 9.235 168 2HB ASN 21 1HB ASN 21 -6.383 14.682 8.753 169 1HD2 ASN 21 1HD2 ASN 21 -8.143 12.249 10.465 170 2HD2 ASN 21 2HD2 ASN 21 -9.525 13.178 10.782 171 H LEU 22 H LEU 22 -5.818 11.705 5.855 172 HA LEU 22 HA LEU 22 -3.611 13.549 5.402 173 1HB LEU 22 2HB LEU 22 -4.037 10.707 4.490 174 2HB LEU 22 1HB LEU 22 -2.560 11.642 4.243 175 HG LEU 22 HG LEU 22 -3.793 11.003 6.940 176 1HD1 LEU 22 1HD1 LEU 22 -1.613 9.693 7.135 177 2HD1 LEU 22 2HD1 LEU 22 -1.491 9.840 5.383 178 3HD1 LEU 22 3HD1 LEU 22 -2.862 9.007 6.104 179 1HD2 LEU 22 1HD2 LEU 22 -1.322 11.758 7.526 180 2HD2 LEU 22 2HD2 LEU 22 -2.606 12.955 7.357 181 3HD2 LEU 22 3HD2 LEU 22 -1.476 12.665 6.026 182 H ASN 23 H ASN 23 -2.822 14.193 3.392 183 HA ASN 23 HA ASN 23 -4.936 14.504 1.380 184 1HB ASN 23 2HB ASN 23 -3.885 16.432 0.718 185 2HB ASN 23 1HB ASN 23 -3.300 16.373 2.374 186 1HD2 ASN 23 1HD2 ASN 23 -1.017 16.098 2.684 187 2HD2 ASN 23 2HD2 ASN 23 0.072 15.946 1.389 188 H GLY 24 H GLY 24 -4.417 14.112 -0.890 189 1HA GLY 24 2HA GLY 24 -3.619 11.562 -1.472 190 2HA GLY 24 1HA GLY 24 -3.556 12.874 -2.641 191 H VAL 25 H VAL 25 -1.538 14.446 -1.480 192 HA VAL 25 HA VAL 25 0.795 13.108 -2.420 193 HB VAL 25 HB VAL 25 0.562 15.688 -0.863 194 1HG1 VAL 25 1HG1 VAL 25 2.786 16.087 -2.140 195 2HG1 VAL 25 2HG1 VAL 25 2.820 14.334 -2.339 196 3HG1 VAL 25 3HG1 VAL 25 2.830 15.040 -0.721 197 1HG2 VAL 25 1HG2 VAL 25 -0.665 15.982 -2.857 198 2HG2 VAL 25 2HG2 VAL 25 0.430 14.953 -3.785 199 3HG2 VAL 25 3HG2 VAL 25 0.944 16.566 -3.282 200 H GLN 26 H GLN 26 -0.298 14.018 0.900 201 HA GLN 26 HA GLN 26 2.044 13.075 2.147 202 1HB GLN 26 2HB GLN 26 -0.622 13.915 3.014 203 2HB GLN 26 1HB GLN 26 0.118 12.702 4.057 204 1HG GLN 26 2HG GLN 26 1.909 14.068 4.636 205 2HG GLN 26 1HG GLN 26 1.824 14.991 3.130 206 1HE2 GLN 26 1HE2 GLN 26 -0.347 14.311 5.894 207 2HE2 GLN 26 2HE2 GLN 26 -0.854 15.917 6.086 208 H VAL 27 H VAL 27 -1.021 11.449 1.410 209 HA VAL 27 HA VAL 27 -0.354 8.959 2.604 210 HB VAL 27 HB VAL 27 -2.150 9.520 0.220 211 1HG1 VAL 27 1HG1 VAL 27 -3.200 7.342 0.884 212 2HG1 VAL 27 2HG1 VAL 27 -1.893 7.109 2.045 213 3HG1 VAL 27 3HG1 VAL 27 -1.542 7.156 0.319 214 1HG2 VAL 27 1HG2 VAL 27 -2.750 9.240 3.187 215 2HG2 VAL 27 2HG2 VAL 27 -3.965 9.397 1.919 216 3HG2 VAL 27 3HG2 VAL 27 -2.857 10.726 2.245 217 H LYS 28 H LYS 28 0.054 10.277 -0.631 218 HA LYS 28 HA LYS 28 1.263 8.050 -1.866 219 1HB LYS 28 2HB LYS 28 0.299 10.050 -3.043 220 2HB LYS 28 1HB LYS 28 1.672 11.004 -2.489 221 1HG LYS 28 2HG LYS 28 3.181 9.350 -3.661 222 2HG LYS 28 1HG LYS 28 1.732 8.595 -4.332 223 1HD LYS 28 2HD LYS 28 1.104 10.671 -5.440 224 2HD LYS 28 1HD LYS 28 2.452 11.523 -4.686 225 1HE LYS 28 2HE LYS 28 2.847 9.114 -6.480 226 2HE LYS 28 1HE LYS 28 2.833 10.767 -7.093 227 1HZ LYS 28 1HZ LYS 28 4.872 11.123 -6.325 228 2HZ LYS 28 2HZ LYS 28 4.987 9.450 -6.049 229 3HZ LYS 28 3HZ LYS 28 4.505 10.490 -4.795 230 H ALA 29 H ALA 29 2.546 10.671 0.079 231 HA ALA 29 HA ALA 29 5.295 10.205 -0.409 232 1HB ALA 29 1HB ALA 29 5.693 11.720 1.379 233 2HB ALA 29 2HB ALA 29 4.073 11.460 2.028 234 3HB ALA 29 3HB ALA 29 4.287 12.322 0.503 235 H PHE 30 H PHE 30 3.052 9.246 2.128 236 HA PHE 30 HA PHE 30 4.933 7.934 3.714 237 1HB PHE 30 2HB PHE 30 1.961 7.499 3.451 238 2HB PHE 30 1HB PHE 30 2.977 6.824 4.722 239 HD1 PHE 30 1HD PHE 30 0.631 9.250 4.365 240 HD2 PHE 30 2HD PHE 30 4.778 8.931 5.530 241 HE1 PHE 30 1HE PHE 30 0.445 11.334 5.660 242 HE2 PHE 30 2HE PHE 30 4.561 11.031 6.800 243 HZ PHE 30 HZ PHE 30 2.403 12.216 6.861 244 H ILE 31 H ILE 31 2.954 7.005 0.959 245 HA ILE 31 HA ILE 31 3.670 4.266 0.993 246 HB ILE 31 HB ILE 31 2.607 6.066 -1.180 247 1HG1 ILE 31 2HG1 ILE 31 1.409 3.717 0.331 248 2HG1 ILE 31 1HG1 ILE 31 1.096 5.411 0.688 249 1HG2 ILE 31 1HG2 ILE 31 2.302 3.302 -1.886 250 2HG2 ILE 31 2HG2 ILE 31 4.010 3.574 -1.573 251 3HG2 ILE 31 3HG2 ILE 31 3.167 4.555 -2.768 252 1HD1 ILE 31 1HD1 ILE 31 -0.682 4.369 -0.715 253 2HD1 ILE 31 2HD1 ILE 31 0.518 4.086 -1.972 254 3HD1 ILE 31 3HD1 ILE 31 0.098 5.736 -1.508 255 H ASP 32 H ASP 32 4.935 7.115 -0.670 256 HA ASP 32 HA ASP 32 6.958 5.839 -2.119 257 1HB ASP 32 2HB ASP 32 6.546 8.623 -1.088 258 2HB ASP 32 1HB ASP 32 8.148 8.199 -1.687 259 H SER 33 H SER 33 6.931 7.085 1.141 260 HA SER 33 HA SER 33 9.653 6.564 1.783 261 1HB SER 33 2HB SER 33 7.213 6.817 3.567 262 2HB SER 33 1HB SER 33 8.892 6.847 4.114 263 HG SER 33 HG SER 33 7.714 8.627 2.238 264 H LEU 34 H LEU 34 6.659 4.783 2.060 265 HA LEU 34 HA LEU 34 7.469 2.453 3.478 266 1HB LEU 34 2HB LEU 34 5.281 3.368 1.722 267 2HB LEU 34 1HB LEU 34 5.570 1.659 1.683 268 HG LEU 34 HG LEU 34 5.560 2.692 4.385 269 1HD1 LEU 34 1HD1 LEU 34 3.260 3.255 2.561 270 2HD1 LEU 34 2HD1 LEU 34 3.863 4.212 3.910 271 3HD1 LEU 34 3HD1 LEU 34 2.923 2.759 4.213 272 1HD2 LEU 34 1HD2 LEU 34 4.219 0.544 2.789 273 2HD2 LEU 34 2HD2 LEU 34 3.792 0.833 4.479 274 3HD2 LEU 34 3HD2 LEU 34 5.435 0.392 4.039 275 H ARG 35 H ARG 35 7.227 3.153 0.039 276 HA ARG 35 HA ARG 35 8.235 0.775 -1.047 277 1HB ARG 35 2HB ARG 35 8.496 3.607 -2.074 278 2HB ARG 35 1HB ARG 35 8.809 2.152 -3.020 279 1HG ARG 35 2HG ARG 35 6.465 1.411 -2.511 280 2HG ARG 35 1HG ARG 35 6.188 2.967 -1.780 281 1HD ARG 35 2HD ARG 35 5.793 3.897 -3.763 282 2HD ARG 35 1HD ARG 35 7.384 3.391 -4.338 283 HE ARG 35 HE ARG 35 4.883 2.110 -4.868 284 1HH1 ARG 35 1HH2 ARG 35 6.403 -0.007 -3.511 285 2HH1 ARG 35 2HH2 ARG 35 7.267 -0.767 -4.813 286 1HH2 ARG 35 1HH1 ARG 35 6.825 1.892 -6.980 287 2HH2 ARG 35 2HH1 ARG 35 7.511 0.315 -6.777 288 H ASP 36 H ASP 36 9.872 3.790 -0.184 289 HA ASP 36 HA ASP 36 12.492 3.058 -0.930 290 1HB ASP 36 2HB ASP 36 11.669 5.387 -0.578 291 2HB ASP 36 1HB ASP 36 11.679 5.054 1.142 292 H ASP 37 H ASP 37 10.714 2.863 2.088 293 HA ASP 37 HA ASP 37 12.621 0.905 3.088 294 1HB ASP 37 2HB ASP 37 13.297 3.246 3.892 295 2HB ASP 37 1HB ASP 37 11.826 3.215 4.859 296 HA PRO 38 HA PRO 38 8.415 -0.445 3.889 297 1HB PRO 38 2HB PRO 38 9.427 -3.121 3.964 298 2HB PRO 38 1HB PRO 38 8.413 -2.359 2.750 299 1HG PRO 38 2HG PRO 38 11.044 -3.154 2.422 300 2HG PRO 38 1HG PRO 38 10.134 -2.076 1.356 301 1HD PRO 38 2HD PRO 38 12.214 -1.414 3.348 302 2HD PRO 38 1HD PRO 38 11.682 -0.506 1.915 303 H SER 39 H SER 39 11.362 -1.342 5.571 304 HA SER 39 HA SER 39 10.159 -2.540 7.847 305 1HB SER 39 2HB SER 39 12.609 -2.680 7.268 306 2HB SER 39 1HB SER 39 12.771 -0.996 7.755 307 HG SER 39 HG SER 39 11.975 -1.623 9.818 308 H GLN 40 H GLN 40 10.754 0.686 6.776 309 HA GLN 40 HA GLN 40 10.121 2.009 9.261 310 1HB GLN 40 2HB GLN 40 11.736 2.822 7.452 311 2HB GLN 40 1HB GLN 40 10.307 3.220 6.504 312 1HG GLN 40 2HG GLN 40 9.551 4.779 8.178 313 2HG GLN 40 1HG GLN 40 10.830 4.292 9.290 314 1HE2 GLN 40 1HE2 GLN 40 12.812 5.404 9.103 315 2HE2 GLN 40 2HE2 GLN 40 13.185 6.476 7.842 316 H SER 41 H SER 41 8.264 0.501 6.929 317 HA SER 41 HA SER 41 6.219 2.136 6.186 318 1HB SER 41 2HB SER 41 4.847 0.126 6.064 319 2HB SER 41 1HB SER 41 6.483 -0.239 5.548 320 HG SER 41 HG SER 41 6.847 -1.277 7.432 321 H ALA 42 H ALA 42 6.480 0.460 9.318 322 HA ALA 42 HA ALA 42 3.936 1.186 10.326 323 1HB ALA 42 1HB ALA 42 4.875 0.585 12.493 324 2HB ALA 42 2HB ALA 42 6.506 0.662 11.825 325 3HB ALA 42 3HB ALA 42 5.387 -0.590 11.281 326 H ASN 43 H ASN 43 7.070 2.694 10.266 327 HA ASN 43 HA ASN 43 6.583 4.787 12.093 328 1HB ASN 43 2HB ASN 43 8.789 3.848 11.199 329 2HB ASN 43 1HB ASN 43 8.487 4.845 9.788 330 1HD2 ASN 43 1HD2 ASN 43 9.914 4.884 12.867 331 2HD2 ASN 43 2HD2 ASN 43 10.030 6.566 13.062 332 H LEU 44 H LEU 44 6.239 4.362 8.678 333 HA LEU 44 HA LEU 44 5.684 7.069 7.969 334 1HB LEU 44 2HB LEU 44 5.127 4.454 6.524 335 2HB LEU 44 1HB LEU 44 5.197 6.069 5.789 336 HG LEU 44 HG LEU 44 7.461 4.948 7.423 337 1HD1 LEU 44 1HD1 LEU 44 8.463 4.825 4.968 338 2HD1 LEU 44 2HD1 LEU 44 6.781 4.419 4.622 339 3HD1 LEU 44 3HD1 LEU 44 7.704 3.464 5.785 340 1HD2 LEU 44 1HD2 LEU 44 8.687 6.709 6.131 341 2HD2 LEU 44 2HD2 LEU 44 7.505 7.271 7.317 342 3HD2 LEU 44 3HD2 LEU 44 7.103 7.277 5.601 343 H LEU 45 H LEU 45 3.950 4.245 8.752 344 HA LEU 45 HA LEU 45 1.302 5.239 8.367 345 1HB LEU 45 2HB LEU 45 1.497 2.884 8.523 346 2HB LEU 45 1HB LEU 45 2.509 2.975 9.958 347 HG LEU 45 HG LEU 45 0.586 3.813 11.264 348 1HD1 LEU 45 1HD1 LEU 45 -0.813 3.594 8.594 349 2HD1 LEU 45 2HD1 LEU 45 -0.717 4.990 9.665 350 3HD1 LEU 45 3HD1 LEU 45 -1.700 3.601 10.117 351 1HD2 LEU 45 1HD2 LEU 45 -0.767 1.710 11.168 352 2HD2 LEU 45 2HD2 LEU 45 0.972 1.422 11.210 353 3HD2 LEU 45 3HD2 LEU 45 0.090 1.272 9.690 354 H ALA 46 H ALA 46 3.673 5.209 10.903 355 HA ALA 46 HA ALA 46 2.150 6.287 13.005 356 1HB ALA 46 1HB ALA 46 4.621 5.264 12.890 357 2HB ALA 46 2HB ALA 46 4.159 6.398 14.159 358 3HB ALA 46 3HB ALA 46 5.040 6.969 12.738 359 H GLU 47 H GLU 47 4.262 7.663 10.604 360 HA GLU 47 HA GLU 47 4.092 10.366 11.306 361 1HB GLU 47 2HB GLU 47 4.741 8.801 8.839 362 2HB GLU 47 1HB GLU 47 4.658 10.561 8.770 363 1HG GLU 47 2HG GLU 47 6.520 8.838 10.400 364 2HG GLU 47 1HG GLU 47 6.931 9.960 9.110 365 H ALA 48 H ALA 48 2.257 8.256 9.228 366 HA ALA 48 HA ALA 48 0.654 10.208 8.013 367 1HB ALA 48 1HB ALA 48 1.087 7.505 7.798 368 2HB ALA 48 2HB ALA 48 -0.131 8.410 6.913 369 3HB ALA 48 3HB ALA 48 -0.551 7.583 8.412 370 H LYS 49 H LYS 49 0.134 8.056 10.799 371 HA LYS 49 HA LYS 49 -2.435 9.018 11.483 372 1HB LYS 49 2HB LYS 49 -0.249 7.750 13.153 373 2HB LYS 49 1HB LYS 49 -1.836 8.171 13.801 374 1HG LYS 49 2HG LYS 49 -2.895 6.754 12.040 375 2HG LYS 49 1HG LYS 49 -1.291 6.272 11.495 376 1HD LYS 49 2HD LYS 49 -0.820 5.377 13.778 377 2HD LYS 49 1HD LYS 49 -2.472 5.783 14.248 378 1HE LYS 49 2HE LYS 49 -3.133 4.361 12.138 379 2HE LYS 49 1HE LYS 49 -1.515 3.681 12.322 380 1HZ LYS 49 1HZ LYS 49 -3.054 2.354 13.548 381 2HZ LYS 49 2HZ LYS 49 -3.673 3.713 14.358 382 3HZ LYS 49 3HZ LYS 49 -2.083 3.193 14.657 383 H LYS 50 H LYS 50 0.812 10.207 12.010 384 HA LYS 50 HA LYS 50 0.044 12.170 13.930 385 1HB LYS 50 2HB LYS 50 2.543 11.615 12.366 386 2HB LYS 50 1HB LYS 50 2.369 13.123 13.268 387 1HG LYS 50 2HG LYS 50 1.905 11.831 15.328 388 2HG LYS 50 1HG LYS 50 2.098 10.330 14.430 389 1HD LYS 50 2HD LYS 50 4.365 12.191 14.106 390 2HD LYS 50 1HD LYS 50 4.125 11.651 15.767 391 1HE LYS 50 2HE LYS 50 4.099 9.291 14.971 392 2HE LYS 50 1HE LYS 50 4.426 9.864 13.337 393 1HZ LYS 50 1HZ LYS 50 6.198 10.792 15.459 394 2HZ LYS 50 2HZ LYS 50 6.546 10.409 13.840 395 3HZ LYS 50 3HZ LYS 50 6.346 9.170 14.985 396 H LEU 51 H LEU 51 0.555 12.062 10.482 397 HA LEU 51 HA LEU 51 0.158 14.841 10.065 398 1HB LEU 51 2HB LEU 51 0.458 12.452 8.338 399 2HB LEU 51 1HB LEU 51 -0.437 13.803 7.652 400 HG LEU 51 HG LEU 51 1.873 14.073 7.063 401 1HD1 LEU 51 1HD1 LEU 51 0.407 16.037 8.139 402 2HD1 LEU 51 2HD1 LEU 51 2.059 16.291 7.577 403 3HD1 LEU 51 3HD1 LEU 51 1.743 16.035 9.291 404 1HD2 LEU 51 1HD2 LEU 51 2.330 13.514 9.983 405 2HD2 LEU 51 2HD2 LEU 51 3.511 14.459 9.075 406 3HD2 LEU 51 3HD2 LEU 51 3.136 12.814 8.580 407 H ASN 52 H ASN 52 -1.869 11.980 9.870 408 HA ASN 52 HA ASN 52 -4.231 13.173 8.968 409 1HB ASN 52 2HB ASN 52 -4.679 10.959 8.943 410 2HB ASN 52 1HB ASN 52 -3.332 10.628 10.014 411 1HD2 ASN 52 1HD2 ASN 52 -6.756 11.301 9.917 412 2HD2 ASN 52 2HD2 ASN 52 -7.082 10.823 11.510 413 H ASP 53 H ASP 53 -2.915 12.473 12.171 414 HA ASP 53 HA ASP 53 -5.040 13.524 13.668 415 1HB ASP 53 2HB ASP 53 -3.453 12.106 14.760 416 2HB ASP 53 1HB ASP 53 -2.125 13.191 14.358 417 H ALA 54 H ALA 54 -2.073 14.969 12.446 418 HA ALA 54 HA ALA 54 -2.347 17.513 13.608 419 1HB ALA 54 1HB ALA 54 -0.228 16.959 12.702 420 2HB ALA 54 2HB ALA 54 -0.870 18.196 11.621 421 3HB ALA 54 3HB ALA 54 -0.927 16.496 11.152 422 H GLN 55 H GLN 55 -3.532 16.063 10.624 423 HA GLN 55 HA GLN 55 -4.822 18.524 9.737 424 1HB GLN 55 2HB GLN 55 -4.614 15.719 8.650 425 2HB GLN 55 1HB GLN 55 -5.626 16.955 7.890 426 1HG GLN 55 2HG GLN 55 -3.740 18.362 7.449 427 2HG GLN 55 1HG GLN 55 -2.693 17.409 8.501 428 1HE2 GLN 55 1HE2 GLN 55 -2.619 14.951 7.768 429 2HE2 GLN 55 2HE2 GLN 55 -2.427 14.708 6.100 430 H ALA 56 H ALA 56 -5.535 16.165 11.967 431 HA ALA 56 HA ALA 56 -8.406 16.044 11.453 432 1HB ALA 56 1HB ALA 56 -8.461 14.538 13.410 433 2HB ALA 56 2HB ALA 56 -6.744 14.831 13.681 434 3HB ALA 56 3HB ALA 56 -7.276 13.996 12.224 435 HA PRO 57 HA PRO 57 -9.421 19.725 13.683 436 1HB PRO 57 2HB PRO 57 -11.749 18.508 14.830 437 2HB PRO 57 1HB PRO 57 -11.647 19.592 13.438 438 1HG PRO 57 2HG PRO 57 -11.813 16.674 13.530 439 2HG PRO 57 1HG PRO 57 -12.366 17.811 12.289 440 1HD PRO 57 2HD PRO 57 -10.218 16.302 11.874 441 2HD PRO 57 1HD PRO 57 -10.262 17.995 11.332 442 H LYS 58 H LYS 58 -9.201 20.501 15.613 443 HA LYS 58 HA LYS 58 -9.102 18.831 18.017 444 1HB LYS 58 2HB LYS 58 -6.839 20.513 17.024 445 2HB LYS 58 1HB LYS 58 -6.951 19.957 18.686 446 1HG LYS 58 2HG LYS 58 -7.035 17.614 17.882 447 2HG LYS 58 1HG LYS 58 -6.889 18.188 16.224 448 1HD LYS 58 2HD LYS 58 -4.717 19.234 16.784 449 2HD LYS 58 1HD LYS 58 -4.846 18.593 18.423 450 1HE LYS 58 2HE LYS 58 -4.108 16.560 17.767 451 2HE LYS 58 1HE LYS 58 -5.276 16.493 16.449 452 1HZ LYS 58 1HZ LYS 58 -3.824 17.750 15.066 453 2HZ LYS 58 2HZ LYS 58 -2.930 16.461 15.719 454 3HZ LYS 58 3HZ LYS 58 -2.741 18.030 16.342 455 1H VAL 1 1HT VAL 1 -16.794 -1.831 4.040 456 2H VAL 1 2HT VAL 1 -15.121 -1.875 4.333 457 3H VAL 1 3HT VAL 1 -16.215 -1.833 5.633 458 HA VAL 1 HA VAL 1 -15.495 -4.049 5.507 459 HB VAL 1 HB VAL 1 -18.129 -3.843 3.999 460 1HG1 VAL 1 1HG1 VAL 1 -16.862 -6.027 5.681 461 2HG1 VAL 1 2HG1 VAL 1 -17.358 -6.124 3.991 462 3HG1 VAL 1 3HG1 VAL 1 -18.575 -6.007 5.261 463 1HG2 VAL 1 1HG2 VAL 1 -18.254 -2.484 6.007 464 2HG2 VAL 1 2HG2 VAL 1 -17.490 -3.751 6.968 465 3HG2 VAL 1 3HG2 VAL 1 -19.113 -3.991 6.321 466 H ASP 2 H ASP 2 -14.722 -5.782 4.320 467 HA ASP 2 HA ASP 2 -14.740 -5.631 1.386 468 1HB ASP 2 2HB ASP 2 -12.208 -5.844 3.040 469 2HB ASP 2 1HB ASP 2 -12.300 -5.972 1.285 470 H ASN 3 H ASN 3 -13.585 -7.633 0.486 471 HA ASN 3 HA ASN 3 -14.927 -9.934 1.380 472 1HB ASN 3 2HB ASN 3 -14.043 -9.382 -0.969 473 2HB ASN 3 1HB ASN 3 -12.479 -9.942 -0.387 474 1HD2 ASN 3 1HD2 ASN 3 -12.666 -11.727 -2.009 475 2HD2 ASN 3 2HD2 ASN 3 -13.635 -13.075 -1.662 476 H LYS 4 H LYS 4 -13.521 -12.067 1.598 477 HA LYS 4 HA LYS 4 -12.301 -12.051 4.125 478 1HB LYS 4 2HB LYS 4 -11.518 -14.373 3.483 479 2HB LYS 4 1HB LYS 4 -13.251 -14.097 3.339 480 1HG LYS 4 2HG LYS 4 -13.196 -14.590 1.143 481 2HG LYS 4 1HG LYS 4 -11.983 -13.353 0.856 482 1HD LYS 4 2HD LYS 4 -11.288 -16.091 1.950 483 2HD LYS 4 1HD LYS 4 -11.317 -15.736 0.226 484 1HE LYS 4 2HE LYS 4 -9.786 -13.667 1.101 485 2HE LYS 4 1HE LYS 4 -9.363 -14.887 2.298 486 1HZ LYS 4 1HZ LYS 4 -7.946 -15.590 0.743 487 2HZ LYS 4 2HZ LYS 4 -8.739 -14.762 -0.513 488 3HZ LYS 4 3HZ LYS 4 -9.302 -16.282 -0.003 489 H PHE 5 H PHE 5 -11.081 -10.942 1.240 490 HA PHE 5 HA PHE 5 -8.381 -11.735 1.397 491 1HB PHE 5 2HB PHE 5 -9.867 -9.601 -0.110 492 2HB PHE 5 1HB PHE 5 -8.106 -9.715 -0.192 493 HD1 PHE 5 1HD PHE 5 -11.098 -11.968 -0.306 494 HD2 PHE 5 2HD PHE 5 -7.200 -11.068 -1.866 495 HE1 PHE 5 1HE PHE 5 -11.292 -13.865 -1.894 496 HE2 PHE 5 2HE PHE 5 -7.392 -12.962 -3.449 497 HZ PHE 5 HZ PHE 5 -9.433 -14.365 -3.458 498 H ASN 6 H ASN 6 -9.854 -10.007 3.723 499 HA ASN 6 HA ASN 6 -8.246 -7.700 4.040 500 1HB ASN 6 2HB ASN 6 -8.722 -7.876 6.457 501 2HB ASN 6 1HB ASN 6 -10.179 -8.117 5.503 502 1HD2 ASN 6 1HD2 ASN 6 -9.004 -10.983 4.846 503 2HD2 ASN 6 2HD2 ASN 6 -9.423 -11.867 6.233 504 H LYS 7 H LYS 7 -7.616 -11.071 4.714 505 HA LYS 7 HA LYS 7 -5.014 -10.646 5.879 506 1HB LYS 7 2HB LYS 7 -6.348 -12.628 6.457 507 2HB LYS 7 1HB LYS 7 -6.346 -13.136 4.770 508 1HG LYS 7 2HG LYS 7 -3.838 -13.254 4.859 509 2HG LYS 7 1HG LYS 7 -3.921 -12.883 6.582 510 1HD LYS 7 2HD LYS 7 -5.173 -14.908 7.025 511 2HD LYS 7 1HD LYS 7 -5.337 -15.241 5.300 512 1HE LYS 7 2HE LYS 7 -2.662 -15.065 6.718 513 2HE LYS 7 1HE LYS 7 -3.527 -16.579 6.454 514 1HZ LYS 7 1HZ LYS 7 -3.562 -15.420 4.008 515 2HZ LYS 7 2HZ LYS 7 -2.463 -16.615 4.509 516 3HZ LYS 7 3HZ LYS 7 -2.033 -14.975 4.593 517 H GLU 8 H GLU 8 -6.307 -11.739 2.771 518 HA GLU 8 HA GLU 8 -3.795 -12.159 1.496 519 1HB GLU 8 2HB GLU 8 -6.547 -11.745 0.286 520 2HB GLU 8 1HB GLU 8 -5.152 -12.449 -0.534 521 1HG GLU 8 2HG GLU 8 -6.716 -13.590 1.795 522 2HG GLU 8 1HG GLU 8 -6.504 -14.286 0.192 523 H ARG 9 H ARG 9 -6.151 -9.535 1.305 524 HA ARG 9 HA ARG 9 -5.006 -8.042 -0.763 525 1HB ARG 9 2HB ARG 9 -7.275 -7.627 0.109 526 2HB ARG 9 1HB ARG 9 -6.588 -7.030 1.620 527 1HG ARG 9 2HG ARG 9 -5.246 -5.398 0.045 528 2HG ARG 9 1HG ARG 9 -6.500 -5.785 -1.113 529 1HD ARG 9 2HD ARG 9 -7.131 -4.839 1.681 530 2HD ARG 9 1HD ARG 9 -6.891 -3.724 0.338 531 HE ARG 9 HE ARG 9 -8.724 -5.634 -0.492 532 1HH1 ARG 9 1HH1 ARG 9 -9.004 -4.469 2.567 533 2HH1 ARG 9 2HH1 ARG 9 -10.437 -3.532 2.314 534 1HH2 ARG 9 1HH2 ARG 9 -10.347 -3.854 -1.135 535 2HH2 ARG 9 2HH2 ARG 9 -11.202 -3.189 0.217 536 H VAL 10 H VAL 10 -4.552 -7.807 2.765 537 HA VAL 10 HA VAL 10 -2.940 -5.542 2.782 538 HB VAL 10 HB VAL 10 -3.883 -6.202 4.824 539 1HG1 VAL 10 1HG1 VAL 10 -2.351 -8.777 4.841 540 2HG1 VAL 10 2HG1 VAL 10 -3.998 -8.632 4.218 541 3HG1 VAL 10 3HG1 VAL 10 -3.663 -8.255 5.908 542 1HG2 VAL 10 1HG2 VAL 10 -1.399 -5.345 4.830 543 2HG2 VAL 10 2HG2 VAL 10 -1.032 -6.983 5.364 544 3HG2 VAL 10 3HG2 VAL 10 -2.119 -5.969 6.327 545 H ILE 11 H ILE 11 -2.097 -8.882 2.159 546 HA ILE 11 HA ILE 11 0.741 -8.422 2.133 547 HB ILE 11 HB ILE 11 -0.820 -10.612 0.733 548 1HG1 ILE 11 2HG1 ILE 11 0.105 -10.218 3.570 549 2HG1 ILE 11 1HG1 ILE 11 -1.457 -10.777 2.991 550 1HG2 ILE 11 1HG2 ILE 11 1.666 -10.192 0.169 551 2HG2 ILE 11 2HG2 ILE 11 1.254 -11.811 0.728 552 3HG2 ILE 11 3HG2 ILE 11 1.999 -10.660 1.838 553 1HD1 ILE 11 1HD1 ILE 11 -0.107 -12.813 2.060 554 2HD1 ILE 11 2HD1 ILE 11 -0.468 -12.749 3.784 555 3HD1 ILE 11 3HD1 ILE 11 1.132 -12.284 3.202 556 H ALA 12 H ALA 12 -1.833 -8.410 -0.368 557 HA ALA 12 HA ALA 12 -0.142 -7.970 -2.611 558 1HB ALA 12 1HB ALA 12 -2.397 -8.761 -2.970 559 2HB ALA 12 2HB ALA 12 -2.268 -7.148 -3.678 560 3HB ALA 12 3HB ALA 12 -3.067 -7.370 -2.119 561 H ILE 13 H ILE 13 -1.835 -5.791 -0.393 562 HA ILE 13 HA ILE 13 -1.269 -3.389 -1.743 563 HB ILE 13 HB ILE 13 -1.451 -3.903 1.257 564 1HG1 ILE 13 2HG1 ILE 13 -3.582 -2.796 -0.569 565 2HG1 ILE 13 1HG1 ILE 13 -3.453 -4.506 -0.219 566 1HG2 ILE 13 1HG2 ILE 13 -1.623 -1.348 -0.365 567 2HG2 ILE 13 2HG2 ILE 13 -0.423 -1.736 0.859 568 3HG2 ILE 13 3HG2 ILE 13 -2.102 -1.475 1.324 569 1HD1 ILE 13 1HD1 ILE 13 -3.884 -2.280 1.725 570 2HD1 ILE 13 2HD1 ILE 13 -3.600 -3.934 2.201 571 3HD1 ILE 13 3HD1 ILE 13 -5.054 -3.522 1.288 572 H GLY 14 H GLY 14 0.492 -5.331 0.594 573 1HA GLY 14 2HA GLY 14 2.834 -3.706 0.751 574 2HA GLY 14 1HA GLY 14 2.711 -5.403 1.209 575 H GLU 15 H GLU 15 1.828 -6.379 -1.311 576 HA GLU 15 HA GLU 15 4.325 -6.865 -2.489 577 1HB GLU 15 2HB GLU 15 2.044 -8.198 -2.520 578 2HB GLU 15 1HB GLU 15 1.806 -7.315 -4.012 579 1HG GLU 15 2HG GLU 15 2.907 -9.449 -4.500 580 2HG GLU 15 1HG GLU 15 4.016 -8.121 -4.833 581 H ILE 16 H ILE 16 1.635 -4.692 -3.331 582 HA ILE 16 HA ILE 16 2.722 -3.791 -5.808 583 HB ILE 16 HB ILE 16 1.438 -1.810 -3.901 584 1HG1 ILE 16 2HG1 ILE 16 -0.023 -3.816 -3.876 585 2HG1 ILE 16 1HG1 ILE 16 -0.789 -2.441 -4.629 586 1HG2 ILE 16 1HG2 ILE 16 0.529 -0.890 -6.003 587 2HG2 ILE 16 2HG2 ILE 16 1.324 -2.168 -6.914 588 3HG2 ILE 16 3HG2 ILE 16 2.283 -0.985 -6.037 589 1HD1 ILE 16 1HD1 ILE 16 -1.059 -4.631 -5.855 590 2HD1 ILE 16 2HD1 ILE 16 0.669 -4.555 -6.203 591 3HD1 ILE 16 3HD1 ILE 16 -0.412 -3.291 -6.807 592 H MET 17 H MET 17 3.015 -2.608 -2.533 593 HA MET 17 HA MET 17 4.877 -0.536 -2.872 594 1HB MET 17 2HB MET 17 4.402 -2.229 -0.440 595 2HB MET 17 1HB MET 17 5.071 -0.593 -0.495 596 1HG MET 17 2HG MET 17 2.332 -1.262 -1.560 597 2HG MET 17 1HG MET 17 2.594 -0.738 0.093 598 1HE MET 17 1HE MET 17 3.631 2.571 0.169 599 2HE MET 17 2HE MET 17 5.036 1.775 -0.549 600 3HE MET 17 3HE MET 17 4.051 0.907 0.651 601 H ARG 18 H ARG 18 5.308 -4.015 -2.644 602 HA ARG 18 HA ARG 18 8.106 -3.949 -2.034 603 1HB ARG 18 2HB ARG 18 6.299 -6.083 -3.059 604 2HB ARG 18 1HB ARG 18 8.015 -6.345 -2.838 605 1HG ARG 18 2HG ARG 18 7.136 -5.120 -0.458 606 2HG ARG 18 1HG ARG 18 5.902 -6.304 -0.862 607 1HD ARG 18 2HD ARG 18 8.853 -6.921 -0.792 608 2HD ARG 18 1HD ARG 18 7.763 -7.203 0.564 609 HE ARG 18 HE ARG 18 7.157 -8.441 -2.051 610 1HH1 ARG 18 1HH2 ARG 18 9.359 -9.440 0.080 611 2HH1 ARG 18 2HH2 ARG 18 8.505 -10.813 0.698 612 1HH2 ARG 18 1HH1 ARG 18 5.488 -9.910 -0.741 613 2HH2 ARG 18 2HH1 ARG 18 6.316 -11.080 0.232 614 H LEU 19 H LEU 19 6.172 -4.081 -4.989 615 HA LEU 19 HA LEU 19 8.163 -4.708 -6.853 616 1HB LEU 19 2HB LEU 19 5.807 -2.862 -7.185 617 2HB LEU 19 1HB LEU 19 6.766 -3.490 -8.490 618 HG LEU 19 HG LEU 19 5.247 -5.233 -6.541 619 1HD1 LEU 19 1HD1 LEU 19 4.530 -4.197 -9.293 620 2HD1 LEU 19 2HD1 LEU 19 3.663 -3.896 -7.780 621 3HD1 LEU 19 3HD1 LEU 19 3.676 -5.510 -8.476 622 1HD2 LEU 19 1HD2 LEU 19 6.953 -6.502 -7.606 623 2HD2 LEU 19 2HD2 LEU 19 6.669 -5.707 -9.152 624 3HD2 LEU 19 3HD2 LEU 19 5.474 -6.838 -8.514 625 HA PRO 20 HA PRO 20 10.576 -0.987 -6.162 626 1HB PRO 20 2HB PRO 20 12.660 -2.146 -7.779 627 2HB PRO 20 1HB PRO 20 12.608 -1.935 -6.026 628 1HG PRO 20 2HG PRO 20 12.553 -4.340 -7.328 629 2HG PRO 20 1HG PRO 20 11.963 -4.060 -5.682 630 1HD PRO 20 2HD PRO 20 10.419 -4.303 -8.223 631 2HD PRO 20 1HD PRO 20 10.005 -4.842 -6.580 632 H ASN 21 H ASN 21 9.261 -2.054 -9.136 633 HA ASN 21 HA ASN 21 10.530 0.176 -10.607 634 1HB ASN 21 2HB ASN 21 8.940 -2.135 -11.705 635 2HB ASN 21 1HB ASN 21 9.792 -0.920 -12.639 636 1HD2 ASN 21 1HD2 ASN 21 10.260 -3.899 -12.512 637 2HD2 ASN 21 2HD2 ASN 21 11.889 -4.068 -12.067 638 H LEU 22 H LEU 22 7.571 -0.659 -9.060 639 HA LEU 22 HA LEU 22 5.822 0.811 -10.789 640 1HB LEU 22 2HB LEU 22 5.479 0.004 -7.906 641 2HB LEU 22 1HB LEU 22 4.234 0.786 -8.855 642 HG LEU 22 HG LEU 22 5.421 -1.959 -9.201 643 1HD1 LEU 22 1HD1 LEU 22 3.516 -1.874 -7.722 644 2HD1 LEU 22 2HD1 LEU 22 2.946 -2.520 -9.264 645 3HD1 LEU 22 3HD1 LEU 22 2.628 -0.840 -8.839 646 1HD2 LEU 22 1HD2 LEU 22 3.791 -1.927 -11.227 647 2HD2 LEU 22 2HD2 LEU 22 5.407 -1.251 -11.413 648 3HD2 LEU 22 3HD2 LEU 22 4.015 -0.190 -11.152 649 H ASN 23 H ASN 23 4.680 2.699 -10.276 650 HA ASN 23 HA ASN 23 6.365 4.796 -9.109 651 1HB ASN 23 2HB ASN 23 5.572 5.634 -11.095 652 2HB ASN 23 1HB ASN 23 4.202 4.575 -11.126 653 1HD2 ASN 23 1HD2 ASN 23 5.267 7.211 -8.937 654 2HD2 ASN 23 2HD2 ASN 23 3.786 8.030 -8.992 655 H SER 24 H SER 24 5.397 6.226 -7.464 656 HA SER 24 HA SER 24 4.011 4.837 -5.437 657 1HB SER 24 2HB SER 24 3.474 7.523 -4.965 658 2HB SER 24 1HB SER 24 4.844 6.612 -4.355 659 HG SER 24 HG SER 24 6.038 7.826 -5.571 660 H LEU 25 H LEU 25 2.916 7.104 -7.904 661 HA LEU 25 HA LEU 25 0.192 7.105 -7.142 662 1HB LEU 25 2HB LEU 25 1.796 8.258 -9.273 663 2HB LEU 25 1HB LEU 25 0.246 7.707 -9.849 664 HG LEU 25 HG LEU 25 0.676 9.504 -7.498 665 1HD1 LEU 25 1HD1 LEU 25 1.156 10.633 -9.636 666 2HD1 LEU 25 2HD1 LEU 25 -0.340 11.243 -8.931 667 3HD1 LEU 25 3HD1 LEU 25 -0.400 10.094 -10.267 668 1HD2 LEU 25 1HD2 LEU 25 -1.974 9.611 -8.341 669 2HD2 LEU 25 2HD2 LEU 25 -1.362 8.753 -6.926 670 3HD2 LEU 25 3HD2 LEU 25 -1.539 7.904 -8.462 671 H GLN 26 H GLN 26 2.104 5.134 -9.384 672 HA GLN 26 HA GLN 26 -0.059 3.736 -10.567 673 1HB GLN 26 2HB GLN 26 2.842 3.084 -10.125 674 2HB GLN 26 1HB GLN 26 1.746 1.914 -10.847 675 1HG GLN 26 2HG GLN 26 1.210 3.502 -12.644 676 2HG GLN 26 1HG GLN 26 2.292 4.702 -11.913 677 1HE2 GLN 26 1HE2 GLN 26 3.808 1.861 -11.247 678 2HE2 GLN 26 2HE2 GLN 26 4.772 1.719 -12.632 679 H VAL 27 H VAL 27 1.933 3.272 -7.749 680 HA VAL 27 HA VAL 27 0.952 0.765 -6.972 681 HB VAL 27 HB VAL 27 2.400 2.966 -5.522 682 1HG1 VAL 27 1HG1 VAL 27 1.543 2.049 -3.609 683 2HG1 VAL 27 2HG1 VAL 27 2.758 0.811 -3.914 684 3HG1 VAL 27 3HG1 VAL 27 1.086 0.543 -4.403 685 1HG2 VAL 27 1HG2 VAL 27 3.049 0.672 -7.175 686 2HG2 VAL 27 2HG2 VAL 27 3.817 0.529 -5.594 687 3HG2 VAL 27 3HG2 VAL 27 4.111 1.949 -6.592 688 H VAL 28 H VAL 28 0.051 4.050 -6.094 689 HA VAL 28 HA VAL 28 -2.025 3.399 -4.325 690 HB VAL 28 HB VAL 28 -1.716 5.804 -6.148 691 1HG1 VAL 28 1HG1 VAL 28 -3.124 6.272 -3.674 692 2HG1 VAL 28 2HG1 VAL 28 -3.876 4.939 -4.546 693 3HG1 VAL 28 3HG1 VAL 28 -3.691 6.506 -5.330 694 1HG2 VAL 28 1HG2 VAL 28 -0.090 5.003 -4.021 695 2HG2 VAL 28 2HG2 VAL 28 -1.212 6.136 -3.271 696 3HG2 VAL 28 3HG2 VAL 28 -0.227 6.646 -4.647 697 H ALA 29 H ALA 29 -1.758 3.542 -7.822 698 HA ALA 29 HA ALA 29 -4.475 3.493 -8.538 699 1HB ALA 29 1HB ALA 29 -3.673 3.258 -10.665 700 2HB ALA 29 2HB ALA 29 -2.609 1.918 -10.224 701 3HB ALA 29 3HB ALA 29 -2.111 3.582 -9.913 702 H PHE 30 H PHE 30 -2.125 0.889 -7.887 703 HA PHE 30 HA PHE 30 -3.980 -1.201 -8.319 704 1HB PHE 30 2HB PHE 30 -1.254 -1.081 -6.985 705 2HB PHE 30 1HB PHE 30 -2.127 -2.562 -7.358 706 HD1 PHE 30 1HD PHE 30 0.397 -0.478 -8.545 707 HD2 PHE 30 2HD PHE 30 -3.131 -2.526 -9.972 708 HE1 PHE 30 1HE PHE 30 1.213 -0.307 -10.840 709 HE2 PHE 30 2HE PHE 30 -2.270 -2.340 -12.267 710 HZ PHE 30 HZ PHE 30 -0.113 -1.247 -12.712 711 H ILE 31 H ILE 31 -2.677 0.471 -5.437 712 HA ILE 31 HA ILE 31 -3.950 -1.098 -3.474 713 HB ILE 31 HB ILE 31 -3.277 1.861 -3.399 714 1HG1 ILE 31 2HG1 ILE 31 -1.722 -0.431 -2.169 715 2HG1 ILE 31 1HG1 ILE 31 -1.378 0.144 -3.790 716 1HG2 ILE 31 1HG2 ILE 31 -4.872 1.323 -1.643 717 2HG2 ILE 31 2HG2 ILE 31 -3.277 1.480 -0.910 718 3HG2 ILE 31 3HG2 ILE 31 -3.958 -0.118 -1.207 719 1HD1 ILE 31 1HD1 ILE 31 -1.416 1.934 -1.342 720 2HD1 ILE 31 2HD1 ILE 31 -0.885 2.368 -2.969 721 3HD1 ILE 31 3HD1 ILE 31 0.061 1.225 -2.010 722 H ASN 32 H ASN 32 -5.019 1.793 -5.204 723 HA ASN 32 HA ASN 32 -7.534 2.125 -3.967 724 1HB ASN 32 2HB ASN 32 -6.391 2.891 -6.641 725 2HB ASN 32 1HB ASN 32 -8.130 3.019 -6.407 726 1HD2 ASN 32 1HD2 ASN 32 -5.494 4.926 -6.351 727 2HD2 ASN 32 2HD2 ASN 32 -5.926 6.013 -5.121 728 H SER 33 H SER 33 -6.428 -0.056 -6.535 729 HA SER 33 HA SER 33 -9.064 -0.916 -7.196 730 1HB SER 33 2HB SER 33 -6.329 -1.611 -8.093 731 2HB SER 33 1HB SER 33 -7.659 -2.722 -8.442 732 HG SER 33 HG SER 33 -8.751 -0.738 -9.227 733 H LEU 34 H LEU 34 -6.558 -1.819 -4.948 734 HA LEU 34 HA LEU 34 -7.522 -4.439 -4.312 735 1HB LEU 34 2HB LEU 34 -6.132 -2.439 -2.470 736 2HB LEU 34 1HB LEU 34 -6.287 -4.159 -2.186 737 HG LEU 34 HG LEU 34 -4.700 -2.834 -4.392 738 1HD1 LEU 34 1HD1 LEU 34 -2.855 -4.235 -3.383 739 2HD1 LEU 34 2HD1 LEU 34 -3.936 -4.507 -2.026 740 3HD1 LEU 34 3HD1 LEU 34 -3.398 -2.870 -2.419 741 1HD2 LEU 34 1HD2 LEU 34 -4.068 -5.196 -4.948 742 2HD2 LEU 34 2HD2 LEU 34 -5.721 -4.737 -5.325 743 3HD2 LEU 34 3HD2 LEU 34 -5.385 -5.689 -3.902 744 H ARG 35 H ARG 35 -8.171 -1.174 -3.357 745 HA ARG 35 HA ARG 35 -10.214 -1.547 -1.388 746 1HB ARG 35 2HB ARG 35 -8.899 0.601 -2.748 747 2HB ARG 35 1HB ARG 35 -10.625 0.834 -2.958 748 1HG ARG 35 2HG ARG 35 -10.836 1.567 -0.849 749 2HG ARG 35 1HG ARG 35 -10.064 0.122 -0.207 750 1HD ARG 35 2HD ARG 35 -7.874 1.359 -1.151 751 2HD ARG 35 1HD ARG 35 -8.882 2.777 -0.883 752 HE ARG 35 HE ARG 35 -7.603 1.217 1.126 753 1HH1 ARG 35 1HH1 ARG 35 -10.371 0.628 1.915 754 2HH1 ARG 35 2HH1 ARG 35 -10.815 1.988 2.890 755 1HH2 ARG 35 1HH2 ARG 35 -8.239 3.992 1.727 756 2HH2 ARG 35 2HH2 ARG 35 -9.608 3.895 2.782 757 H ASP 36 H ASP 36 -10.311 -0.868 -4.858 758 HA ASP 36 HA ASP 36 -13.111 -0.838 -5.177 759 1HB ASP 36 2HB ASP 36 -10.906 -1.475 -7.151 760 2HB ASP 36 1HB ASP 36 -12.577 -1.132 -7.590 761 H ASP 37 H ASP 37 -10.732 -3.420 -5.461 762 HA ASP 37 HA ASP 37 -12.877 -5.412 -5.313 763 1HB ASP 37 2HB ASP 37 -10.782 -6.130 -7.261 764 2HB ASP 37 1HB ASP 37 -12.523 -6.358 -7.343 765 HA PRO 38 HA PRO 38 -9.533 -6.494 -2.462 766 1HB PRO 38 2HB PRO 38 -11.487 -7.975 -0.993 767 2HB PRO 38 1HB PRO 38 -10.650 -6.499 -0.524 768 1HG PRO 38 2HG PRO 38 -13.354 -6.766 -1.169 769 2HG PRO 38 1HG PRO 38 -12.456 -5.260 -0.952 770 1HD PRO 38 2HD PRO 38 -13.405 -6.500 -3.427 771 2HD PRO 38 1HD PRO 38 -12.828 -4.844 -3.147 772 H SER 39 H SER 39 -12.066 -8.502 -3.860 773 HA SER 39 HA SER 39 -10.900 -11.033 -3.380 774 1HB SER 39 2HB SER 39 -12.731 -10.221 -5.653 775 2HB SER 39 1HB SER 39 -12.452 -11.857 -5.062 776 HG SER 39 HG SER 39 -13.348 -9.800 -3.347 777 H GLN 40 H GLN 40 -10.712 -8.706 -6.029 778 HA GLN 40 HA GLN 40 -8.751 -10.351 -7.393 779 1HB GLN 40 2HB GLN 40 -9.348 -7.761 -8.607 780 2HB GLN 40 1HB GLN 40 -9.364 -9.362 -9.307 781 1HG GLN 40 2HG GLN 40 -11.553 -9.820 -8.204 782 2HG GLN 40 1HG GLN 40 -11.568 -8.165 -7.612 783 1HE2 GLN 40 1HE2 GLN 40 -12.398 -10.160 -10.247 784 2HE2 GLN 40 2HE2 GLN 40 -12.759 -8.935 -11.364 785 H SER 41 H SER 41 -8.248 -8.828 -4.784 786 HA SER 41 HA SER 41 -6.596 -6.628 -5.270 787 1HB SER 41 2HB SER 41 -6.563 -8.799 -3.160 788 2HB SER 41 1HB SER 41 -5.404 -7.477 -3.132 789 HG SER 41 HG SER 41 -7.828 -6.472 -3.562 790 H ALA 42 H ALA 42 -6.081 -10.030 -5.590 791 HA ALA 42 HA ALA 42 -3.252 -10.001 -5.995 792 1HB ALA 42 1HB ALA 42 -3.539 -12.309 -6.524 793 2HB ALA 42 2HB ALA 42 -5.240 -12.066 -6.939 794 3HB ALA 42 3HB ALA 42 -4.715 -11.950 -5.256 795 H ASN 43 H ASN 43 -6.069 -9.523 -7.973 796 HA ASN 43 HA ASN 43 -5.009 -10.099 -10.518 797 1HB ASN 43 2HB ASN 43 -7.405 -9.920 -9.739 798 2HB ASN 43 1HB ASN 43 -7.205 -8.181 -9.963 799 1HD2 ASN 43 1HD2 ASN 43 -6.283 -7.576 -12.243 800 2HD2 ASN 43 2HD2 ASN 43 -6.864 -8.478 -13.557 801 H LEU 44 H LEU 44 -5.697 -6.972 -8.950 802 HA LEU 44 HA LEU 44 -4.367 -5.623 -11.040 803 1HB LEU 44 2HB LEU 44 -4.881 -3.546 -9.949 804 2HB LEU 44 1HB LEU 44 -6.291 -4.575 -9.949 805 HG LEU 44 HG LEU 44 -5.912 -3.340 -7.859 806 1HD1 LEU 44 1HD1 LEU 44 -6.956 -5.750 -8.261 807 2HD1 LEU 44 2HD1 LEU 44 -6.977 -4.882 -6.729 808 3HD1 LEU 44 3HD1 LEU 44 -5.741 -6.115 -7.040 809 1HD2 LEU 44 1HD2 LEU 44 -3.854 -5.220 -6.999 810 2HD2 LEU 44 2HD2 LEU 44 -4.146 -3.550 -6.528 811 3HD2 LEU 44 3HD2 LEU 44 -3.351 -3.895 -8.047 812 H LEU 45 H LEU 45 -3.534 -7.020 -8.027 813 HA LEU 45 HA LEU 45 -1.008 -5.749 -7.643 814 1HB LEU 45 2HB LEU 45 -1.706 -7.007 -5.772 815 2HB LEU 45 1HB LEU 45 -2.284 -8.333 -6.770 816 HG LEU 45 HG LEU 45 0.024 -8.971 -7.311 817 1HD1 LEU 45 1HD1 LEU 45 0.738 -6.626 -5.533 818 2HD1 LEU 45 2HD1 LEU 45 1.120 -6.812 -7.239 819 3HD1 LEU 45 3HD1 LEU 45 1.888 -7.855 -6.053 820 1HD2 LEU 45 1HD2 LEU 45 -0.687 -8.666 -4.389 821 2HD2 LEU 45 2HD2 LEU 45 0.743 -9.546 -4.915 822 3HD2 LEU 45 3HD2 LEU 45 -0.857 -10.089 -5.412 823 H ALA 46 H ALA 46 -2.389 -8.337 -9.454 824 HA ALA 46 HA ALA 46 -0.031 -9.449 -10.579 825 1HB ALA 46 1HB ALA 46 -1.556 -10.892 -11.434 826 2HB ALA 46 2HB ALA 46 -2.238 -9.606 -12.426 827 3HB ALA 46 3HB ALA 46 -2.854 -9.878 -10.798 828 H GLU 47 H GLU 47 -2.271 -6.911 -11.476 829 HA GLU 47 HA GLU 47 -1.119 -6.150 -13.936 830 1HB GLU 47 2HB GLU 47 -2.770 -4.554 -11.957 831 2HB GLU 47 1HB GLU 47 -2.345 -4.010 -13.575 832 1HG GLU 47 2HG GLU 47 -4.046 -6.380 -12.813 833 2HG GLU 47 1HG GLU 47 -4.570 -4.912 -13.616 834 H ALA 48 H ALA 48 -0.443 -5.430 -10.590 835 HA ALA 48 HA ALA 48 1.148 -3.122 -11.019 836 1HB ALA 48 1HB ALA 48 -0.054 -4.418 -8.893 837 2HB ALA 48 2HB ALA 48 1.040 -3.039 -8.779 838 3HB ALA 48 3HB ALA 48 1.666 -4.675 -8.616 839 H LYS 49 H LYS 49 1.847 -6.505 -10.281 840 HA LYS 49 HA LYS 49 4.658 -6.159 -10.376 841 1HB LYS 49 2HB LYS 49 4.756 -8.602 -10.412 842 2HB LYS 49 1HB LYS 49 3.597 -8.011 -9.216 843 1HG LYS 49 2HG LYS 49 1.780 -8.380 -10.764 844 2HG LYS 49 1HG LYS 49 2.900 -8.997 -11.973 845 1HD LYS 49 2HD LYS 49 1.937 -10.912 -10.856 846 2HD LYS 49 1HD LYS 49 3.600 -10.757 -10.289 847 1HE LYS 49 2HE LYS 49 1.637 -9.231 -8.695 848 2HE LYS 49 1HE LYS 49 1.408 -10.978 -8.639 849 1HZ LYS 49 1HZ LYS 49 3.521 -11.305 -7.778 850 2HZ LYS 49 2HZ LYS 49 2.998 -9.907 -6.969 851 3HZ LYS 49 3HZ LYS 49 4.082 -9.783 -8.272 852 H LYS 50 H LYS 50 2.164 -6.674 -12.723 853 HA LYS 50 HA LYS 50 3.840 -7.259 -14.973 854 1HB LYS 50 2HB LYS 50 1.039 -6.231 -14.670 855 2HB LYS 50 1HB LYS 50 1.807 -6.374 -16.245 856 1HG LYS 50 2HG LYS 50 2.117 -8.759 -15.955 857 2HG LYS 50 1HG LYS 50 1.550 -8.682 -14.292 858 1HD LYS 50 2HD LYS 50 -0.649 -7.758 -15.231 859 2HD LYS 50 1HD LYS 50 -0.052 -8.221 -16.822 860 1HE LYS 50 2HE LYS 50 -0.179 -10.496 -16.360 861 2HE LYS 50 1HE LYS 50 -0.009 -10.260 -14.620 862 1HZ LYS 50 1HZ LYS 50 -2.281 -8.964 -15.059 863 2HZ LYS 50 2HZ LYS 50 -2.218 -10.616 -14.668 864 3HZ LYS 50 3HZ LYS 50 -2.387 -10.130 -16.286 865 H LEU 51 H LEU 51 2.497 -4.342 -13.482 866 HA LEU 51 HA LEU 51 3.481 -2.546 -15.484 867 1HB LEU 51 2HB LEU 51 2.049 -2.337 -12.954 868 2HB LEU 51 1HB LEU 51 3.293 -1.099 -13.096 869 HG LEU 51 HG LEU 51 1.061 -0.455 -14.061 870 1HD1 LEU 51 1HD1 LEU 51 3.692 -0.409 -15.472 871 2HD1 LEU 51 2HD1 LEU 51 2.707 0.930 -14.853 872 3HD1 LEU 51 3HD1 LEU 51 2.275 0.145 -16.375 873 1HD2 LEU 51 1HD2 LEU 51 1.211 -2.998 -15.206 874 2HD2 LEU 51 2HD2 LEU 51 1.557 -1.919 -16.558 875 3HD2 LEU 51 3HD2 LEU 51 0.055 -1.739 -15.648 876 H ASN 52 H ASN 52 4.604 -3.725 -12.420 877 HA ASN 52 HA ASN 52 6.986 -2.202 -12.218 878 1HB ASN 52 2HB ASN 52 6.184 -3.452 -10.315 879 2HB ASN 52 1HB ASN 52 6.237 -4.957 -11.210 880 1HD2 ASN 52 1HD2 ASN 52 8.474 -5.621 -11.981 881 2HD2 ASN 52 2HD2 ASN 52 9.798 -5.255 -10.986 882 H ASP 53 H ASP 53 6.035 -5.217 -13.667 883 HA ASP 53 HA ASP 53 8.597 -5.956 -14.707 884 1HB ASP 53 2HB ASP 53 6.616 -7.508 -14.501 885 2HB ASP 53 1HB ASP 53 5.902 -6.674 -15.880 886 H ALA 54 H ALA 54 5.945 -3.982 -15.848 887 HA ALA 54 HA ALA 54 6.774 -3.601 -18.520 888 1HB ALA 54 1HB ALA 54 5.051 -2.045 -18.649 889 2HB ALA 54 2HB ALA 54 5.257 -1.530 -16.975 890 3HB ALA 54 3HB ALA 54 4.514 -3.089 -17.333 891 H GLN 55 H GLN 55 7.435 -1.865 -15.508 892 HA GLN 55 HA GLN 55 9.096 0.113 -16.865 893 1HB GLN 55 2HB GLN 55 8.359 -0.308 -14.009 894 2HB GLN 55 1HB GLN 55 9.348 1.021 -14.574 895 1HG GLN 55 2HG GLN 55 7.572 2.061 -15.633 896 2HG GLN 55 1HG GLN 55 6.710 0.544 -15.896 897 1HE2 GLN 55 1HE2 GLN 55 6.191 -0.588 -13.622 898 2HE2 GLN 55 2HE2 GLN 55 5.483 0.448 -12.482 899 H ALA 56 H ALA 56 9.518 -2.992 -15.731 900 HA ALA 56 HA ALA 56 12.007 -2.825 -14.384 901 1HB ALA 56 1HB ALA 56 11.023 -5.151 -16.041 902 2HB ALA 56 2HB ALA 56 10.500 -4.836 -14.387 903 3HB ALA 56 3HB ALA 56 12.192 -5.196 -14.723 904 HA PRO 57 HA PRO 57 14.867 -2.363 -17.637 905 1HB PRO 57 2HB PRO 57 16.891 -4.001 -16.401 906 2HB PRO 57 1HB PRO 57 16.714 -2.243 -16.331 907 1HG PRO 57 2HG PRO 57 16.404 -3.921 -14.191 908 2HG PRO 57 1HG PRO 57 15.699 -2.301 -14.316 909 1HD PRO 57 2HD PRO 57 14.411 -4.963 -14.820 910 2HD PRO 57 1HD PRO 57 13.754 -3.524 -14.005 911 H LYS 58 H LYS 58 16.732 -3.777 -18.792 912 HA LYS 58 HA LYS 58 15.405 -6.182 -19.845 913 1HB LYS 58 2HB LYS 58 17.202 -4.147 -21.072 914 2HB LYS 58 1HB LYS 58 16.959 -5.710 -21.821 915 1HG LYS 58 2HG LYS 58 15.026 -4.982 -22.720 916 2HG LYS 58 1HG LYS 58 14.380 -4.706 -21.106 917 1HD LYS 58 2HD LYS 58 16.232 -2.678 -22.359 918 2HD LYS 58 1HD LYS 58 14.522 -2.696 -22.782 919 1HE LYS 58 2HE LYS 58 14.395 -1.282 -20.975 920 2HE LYS 58 1HE LYS 58 14.280 -2.806 -20.099 921 1HZ LYS 58 1HZ LYS 58 16.694 -1.138 -20.524 922 2HZ LYS 58 2HZ LYS 58 16.761 -2.728 -19.929 923 3HZ LYS 58 3HZ LYS 58 15.947 -1.524 -19.051 Start of MODEL 18 1 1H VAL 1 1HT VAL 1 7.552 -19.217 3.690 2 2H VAL 1 2HT VAL 1 8.850 -19.571 4.728 3 3H VAL 1 3HT VAL 1 8.823 -18.108 3.866 4 HA VAL 1 HA VAL 1 6.782 -18.854 5.881 5 HB VAL 1 HB VAL 1 7.992 -17.218 7.363 6 1HG1 VAL 1 1HG1 VAL 1 9.697 -19.584 6.520 7 2HG1 VAL 1 2HG1 VAL 1 8.271 -19.707 7.550 8 3HG1 VAL 1 3HG1 VAL 1 9.679 -18.799 8.099 9 1HG2 VAL 1 1HG2 VAL 1 10.323 -16.650 6.828 10 2HG2 VAL 1 2HG2 VAL 1 9.260 -16.064 5.551 11 3HG2 VAL 1 3HG2 VAL 1 10.211 -17.528 5.304 12 H ASP 2 H ASP 2 5.631 -16.887 6.609 13 HA ASP 2 HA ASP 2 4.767 -15.321 4.367 14 1HB ASP 2 2HB ASP 2 3.234 -16.020 6.189 15 2HB ASP 2 1HB ASP 2 4.112 -14.978 7.306 16 H ASN 3 H ASN 3 5.217 -13.255 3.842 17 HA ASN 3 HA ASN 3 7.553 -12.012 5.027 18 1HB ASN 3 2HB ASN 3 5.707 -11.183 2.768 19 2HB ASN 3 1HB ASN 3 7.147 -10.285 3.256 20 1HD2 ASN 3 1HD2 ASN 3 6.084 -12.655 1.113 21 2HD2 ASN 3 2HD2 ASN 3 7.581 -13.381 0.774 22 H LYS 4 H LYS 4 6.829 -11.520 7.130 23 HA LYS 4 HA LYS 4 4.475 -10.170 7.814 24 1HB LYS 4 2HB LYS 4 5.742 -9.507 9.899 25 2HB LYS 4 1HB LYS 4 5.727 -11.231 9.549 26 1HG LYS 4 2HG LYS 4 7.994 -10.324 8.194 27 2HG LYS 4 1HG LYS 4 7.994 -9.376 9.677 28 1HD LYS 4 2HD LYS 4 9.179 -11.337 10.265 29 2HD LYS 4 1HD LYS 4 7.554 -11.616 10.890 30 1HE LYS 4 2HE LYS 4 8.413 -13.610 9.700 31 2HE LYS 4 1HE LYS 4 6.995 -12.945 8.892 32 1HZ LYS 4 1HZ LYS 4 9.401 -11.750 7.943 33 2HZ LYS 4 2HZ LYS 4 8.175 -12.542 7.074 34 3HZ LYS 4 3HZ LYS 4 9.446 -13.435 7.762 35 H PHE 5 H PHE 5 7.696 -8.831 7.077 36 HA PHE 5 HA PHE 5 7.046 -6.147 7.557 37 1HB PHE 5 2HB PHE 5 9.121 -5.598 6.617 38 2HB PHE 5 1HB PHE 5 9.378 -7.215 7.262 39 HD1 PHE 5 1HD PHE 5 9.372 -5.143 4.294 40 HD2 PHE 5 2HD PHE 5 9.194 -9.216 5.673 41 HE1 PHE 5 1HE PHE 5 9.995 -5.942 2.033 42 HE2 PHE 5 2HE PHE 5 9.822 -10.007 3.410 43 HZ PHE 5 HZ PHE 5 10.222 -8.371 1.590 44 H ASN 6 H ASN 6 6.848 -8.162 4.632 45 HA ASN 6 HA ASN 6 6.074 -6.098 2.839 46 1HB ASN 6 2HB ASN 6 6.881 -8.367 2.168 47 2HB ASN 6 1HB ASN 6 5.363 -9.031 2.760 48 1HD2 ASN 6 1HD2 ASN 6 4.629 -9.725 0.661 49 2HD2 ASN 6 2HD2 ASN 6 4.200 -8.617 -0.563 50 H LYS 7 H LYS 7 4.353 -8.403 4.856 51 HA LYS 7 HA LYS 7 1.725 -7.815 4.092 52 1HB LYS 7 2HB LYS 7 2.633 -9.762 5.521 53 2HB LYS 7 1HB LYS 7 2.611 -8.635 6.873 54 1HG LYS 7 2HG LYS 7 0.243 -8.355 6.722 55 2HG LYS 7 1HG LYS 7 0.186 -9.160 5.154 56 1HD LYS 7 2HD LYS 7 1.340 -10.740 7.394 57 2HD LYS 7 1HD LYS 7 -0.395 -10.431 7.466 58 1HE LYS 7 2HE LYS 7 -0.681 -11.360 5.207 59 2HE LYS 7 1HE LYS 7 1.063 -11.610 5.083 60 1HZ LYS 7 1HZ LYS 7 0.690 -12.923 7.282 61 2HZ LYS 7 2HZ LYS 7 0.372 -13.655 5.783 62 3HZ LYS 7 3HZ LYS 7 -0.907 -13.042 6.721 63 H GLU 8 H GLU 8 3.884 -6.514 6.549 64 HA GLU 8 HA GLU 8 1.991 -4.624 7.526 65 1HB GLU 8 2HB GLU 8 3.737 -5.449 8.976 66 2HB GLU 8 1HB GLU 8 4.988 -4.824 7.900 67 1HG GLU 8 2HG GLU 8 4.030 -2.507 8.303 68 2HG GLU 8 1HG GLU 8 2.975 -3.218 9.520 69 H LEU 9 H LEU 9 4.605 -4.530 5.217 70 HA LEU 9 HA LEU 9 4.719 -1.730 4.702 71 1HB LEU 9 2HB LEU 9 6.461 -3.174 3.857 72 2HB LEU 9 1HB LEU 9 5.294 -4.163 2.989 73 HG LEU 9 HG LEU 9 4.707 -1.995 1.694 74 1HD1 LEU 9 1HD1 LEU 9 5.886 -0.145 2.029 75 2HD1 LEU 9 2HD1 LEU 9 7.403 -0.988 1.865 76 3HD1 LEU 9 3HD1 LEU 9 6.626 -0.883 3.455 77 1HD2 LEU 9 1HD2 LEU 9 6.680 -2.333 0.201 78 2HD2 LEU 9 2HD2 LEU 9 5.812 -3.806 0.628 79 3HD2 LEU 9 3HD2 LEU 9 7.340 -3.425 1.418 80 H GLY 10 H GLY 10 2.695 -4.349 3.501 81 1HA GLY 10 2HA GLY 10 1.281 -2.710 1.674 82 2HA GLY 10 1HA GLY 10 0.850 -4.324 2.194 83 H TRP 11 H TRP 11 0.753 -3.967 4.943 84 HA TRP 11 HA TRP 11 -1.802 -2.850 5.104 85 1HB TRP 11 2HB TRP 11 -0.637 -4.734 6.563 86 2HB TRP 11 1HB TRP 11 -0.458 -3.345 7.644 87 HD1 TRP 11 HD TRP 11 -2.317 -4.003 9.291 88 HE1 TRP 11 1HE TRP 11 -4.890 -4.125 9.170 89 HE3 TRP 11 3HE TRP 11 -3.053 -3.600 4.232 90 HZ2 TRP 11 2HZ TRP 11 -6.961 -4.006 7.221 91 HZ3 TRP 11 3HZ TRP 11 -5.280 -3.576 3.277 92 HH2 TRP 11 HH TRP 11 -7.277 -3.796 4.765 93 H ALA 12 H ALA 12 1.201 -1.701 6.449 94 HA ALA 12 HA ALA 12 0.052 0.482 7.702 95 1HB ALA 12 1HB ALA 12 2.292 0.133 8.257 96 2HB ALA 12 2HB ALA 12 2.416 1.522 7.174 97 3HB ALA 12 3HB ALA 12 2.772 -0.098 6.579 98 H THR 13 H THR 13 1.087 -0.074 4.364 99 HA THR 13 HA THR 13 0.719 2.471 3.228 100 HB THR 13 HB THR 13 0.467 -0.332 2.216 101 HG1 THR 13 1HG THR 13 2.496 0.039 2.152 102 1HG2 THR 13 1HG2 THR 13 -0.052 2.241 0.742 103 2HG2 THR 13 2HG2 THR 13 -1.049 0.787 0.788 104 3HG2 THR 13 3HG2 THR 13 0.485 0.775 -0.080 105 H TRP 14 H TRP 14 -1.555 -0.197 3.743 106 HA TRP 14 HA TRP 14 -3.850 1.051 2.632 107 1HB TRP 14 2HB TRP 14 -3.488 -1.398 3.155 108 2HB TRP 14 1HB TRP 14 -3.783 -1.002 4.832 109 HD1 TRP 14 HD TRP 14 -6.208 -0.756 5.610 110 HE1 TRP 14 1HE TRP 14 -8.494 -1.007 4.461 111 HE3 TRP 14 3HE TRP 14 -4.753 -0.765 0.698 112 HZ2 TRP 14 2HZ TRP 14 -9.551 -1.199 1.820 113 HZ3 TRP 14 3HZ TRP 14 -6.405 -0.997 -1.066 114 HH2 TRP 14 HH TRP 14 -8.769 -1.215 -0.523 115 H GLU 15 H GLU 15 -2.710 0.701 5.977 116 HA GLU 15 HA GLU 15 -4.889 1.950 7.229 117 1HB GLU 15 2HB GLU 15 -1.992 1.687 8.070 118 2HB GLU 15 1HB GLU 15 -3.296 2.214 9.138 119 1HG GLU 15 2HG GLU 15 -4.435 0.107 8.948 120 2HG GLU 15 1HG GLU 15 -3.412 -0.412 7.612 121 H ILE 16 H ILE 16 -1.931 3.210 5.824 122 HA ILE 16 HA ILE 16 -2.326 5.959 6.605 123 HB ILE 16 HB ILE 16 -0.635 4.630 4.436 124 1HG1 ILE 16 2HG1 ILE 16 0.122 5.799 7.115 125 2HG1 ILE 16 1HG1 ILE 16 -0.049 4.100 6.810 126 1HG2 ILE 16 1HG2 ILE 16 -0.434 6.714 3.578 127 2HG2 ILE 16 2HG2 ILE 16 0.548 7.056 4.994 128 3HG2 ILE 16 3HG2 ILE 16 -1.164 7.468 4.991 129 1HD1 ILE 16 1HD1 ILE 16 2.112 4.043 6.145 130 2HD1 ILE 16 2HD1 ILE 16 2.229 5.793 6.314 131 3HD1 ILE 16 3HD1 ILE 16 1.684 5.095 4.788 132 H PHE 17 H PHE 17 -3.128 3.883 3.902 133 HA PHE 17 HA PHE 17 -4.164 5.766 2.044 134 1HB PHE 17 2HB PHE 17 -3.592 3.142 1.975 135 2HB PHE 17 1HB PHE 17 -5.307 3.020 2.273 136 HD1 PHE 17 1HD PHE 17 -2.711 4.185 -0.105 137 HD2 PHE 17 2HD PHE 17 -6.914 3.615 0.588 138 HE1 PHE 17 1HE PHE 17 -3.136 4.422 -2.526 139 HE2 PHE 17 2HE PHE 17 -7.348 3.868 -1.834 140 HZ PHE 17 HZ PHE 17 -5.458 4.259 -3.388 141 H ASN 18 H ASN 18 -5.518 3.990 4.758 142 HA ASN 18 HA ASN 18 -8.242 4.907 4.272 143 1HB ASN 18 2HB ASN 18 -7.004 3.044 6.302 144 2HB ASN 18 1HB ASN 18 -8.705 3.497 6.331 145 1HD2 ASN 18 1HD2 ASN 18 -6.483 2.588 3.618 146 2HD2 ASN 18 2HD2 ASN 18 -7.503 1.374 3.014 147 H LEU 19 H LEU 19 -5.696 6.500 5.639 148 HA LEU 19 HA LEU 19 -6.825 7.269 8.136 149 1HB LEU 19 2HB LEU 19 -4.540 8.146 6.505 150 2HB LEU 19 1HB LEU 19 -5.217 9.383 7.558 151 HG LEU 19 HG LEU 19 -4.361 6.607 8.469 152 1HD1 LEU 19 1HD1 LEU 19 -2.598 7.963 9.666 153 2HD1 LEU 19 2HD1 LEU 19 -3.077 9.322 8.654 154 3HD1 LEU 19 3HD1 LEU 19 -2.418 7.860 7.919 155 1HD2 LEU 19 1HD2 LEU 19 -5.886 8.758 9.728 156 2HD2 LEU 19 2HD2 LEU 19 -4.445 8.354 10.644 157 3HD2 LEU 19 3HD2 LEU 19 -5.635 7.104 10.270 158 HA PRO 20 HA PRO 20 -9.896 10.000 6.529 159 1HB PRO 20 2HB PRO 20 -10.248 11.241 9.117 160 2HB PRO 20 1HB PRO 20 -11.257 10.019 8.327 161 1HG PRO 20 2HG PRO 20 -9.768 9.587 10.566 162 2HG PRO 20 1HG PRO 20 -10.237 8.318 9.421 163 1HD PRO 20 2HD PRO 20 -7.636 9.777 9.647 164 2HD PRO 20 1HD PRO 20 -7.934 8.057 9.351 165 H ASN 21 H ASN 21 -6.831 11.299 7.145 166 HA ASN 21 HA ASN 21 -7.913 13.946 6.329 167 1HB ASN 21 2HB ASN 21 -6.145 13.588 8.731 168 2HB ASN 21 1HB ASN 21 -6.428 15.130 7.954 169 1HD2 ASN 21 1HD2 ASN 21 -7.498 13.300 10.514 170 2HD2 ASN 21 2HD2 ASN 21 -9.079 13.904 10.640 171 H LEU 22 H LEU 22 -5.629 11.602 5.783 172 HA LEU 22 HA LEU 22 -3.465 13.358 5.001 173 1HB LEU 22 2HB LEU 22 -3.953 10.449 4.330 174 2HB LEU 22 1HB LEU 22 -2.451 11.334 4.054 175 HG LEU 22 HG LEU 22 -3.753 10.877 6.752 176 1HD1 LEU 22 1HD1 LEU 22 -1.420 9.616 5.332 177 2HD1 LEU 22 2HD1 LEU 22 -2.801 8.835 6.091 178 3HD1 LEU 22 3HD1 LEU 22 -1.563 9.595 7.089 179 1HD2 LEU 22 1HD2 LEU 22 -1.285 12.352 5.853 180 2HD2 LEU 22 2HD2 LEU 22 -1.433 11.712 7.487 181 3HD2 LEU 22 3HD2 LEU 22 -2.577 12.922 6.912 182 H ASN 23 H ASN 23 -2.952 14.097 2.983 183 HA ASN 23 HA ASN 23 -5.127 13.939 1.020 184 1HB ASN 23 2HB ASN 23 -4.101 15.809 -0.083 185 2HB ASN 23 1HB ASN 23 -4.149 16.163 1.639 186 1HD2 ASN 23 1HD2 ASN 23 -2.286 17.284 -0.393 187 2HD2 ASN 23 2HD2 ASN 23 -0.727 16.877 0.135 188 H GLY 24 H GLY 24 -4.443 13.731 -1.302 189 1HA GLY 24 2HA GLY 24 -3.457 11.235 -1.845 190 2HA GLY 24 1HA GLY 24 -3.424 12.558 -3.005 191 H VAL 25 H VAL 25 -1.601 14.207 -1.405 192 HA VAL 25 HA VAL 25 0.867 13.104 -2.370 193 HB VAL 25 HB VAL 25 0.275 15.594 -0.781 194 1HG1 VAL 25 1HG1 VAL 25 2.823 14.435 -1.908 195 2HG1 VAL 25 2HG1 VAL 25 2.552 15.151 -0.317 196 3HG1 VAL 25 3HG1 VAL 25 2.628 16.181 -1.747 197 1HG2 VAL 25 1HG2 VAL 25 -0.670 15.777 -2.956 198 2HG2 VAL 25 2HG2 VAL 25 0.676 14.907 -3.698 199 3HG2 VAL 25 3HG2 VAL 25 0.906 16.556 -3.104 200 H GLN 26 H GLN 26 -0.347 13.792 0.960 201 HA GLN 26 HA GLN 26 2.017 12.859 2.175 202 1HB GLN 26 2HB GLN 26 -0.626 13.644 3.142 203 2HB GLN 26 1HB GLN 26 0.115 12.370 4.103 204 1HG GLN 26 2HG GLN 26 1.324 15.070 3.435 205 2HG GLN 26 1HG GLN 26 0.811 14.516 5.029 206 1HE2 GLN 26 1HE2 GLN 26 2.054 11.774 4.265 207 2HE2 GLN 26 2HE2 GLN 26 3.708 12.009 4.560 208 H VAL 27 H VAL 27 -0.998 11.201 1.376 209 HA VAL 27 HA VAL 27 -0.303 8.708 2.553 210 HB VAL 27 HB VAL 27 -2.037 9.210 0.110 211 1HG1 VAL 27 1HG1 VAL 27 -1.782 6.851 2.002 212 2HG1 VAL 27 2HG1 VAL 27 -1.357 6.870 0.289 213 3HG1 VAL 27 3HG1 VAL 27 -3.044 7.016 0.779 214 1HG2 VAL 27 1HG2 VAL 27 -2.876 10.437 2.056 215 2HG2 VAL 27 2HG2 VAL 27 -2.711 9.004 3.067 216 3HG2 VAL 27 3HG2 VAL 27 -3.906 9.037 1.770 217 H LYS 28 H LYS 28 0.176 10.106 -0.636 218 HA LYS 28 HA LYS 28 1.505 7.947 -1.878 219 1HB LYS 28 2HB LYS 28 0.500 9.871 -3.068 220 2HB LYS 28 1HB LYS 28 1.716 10.943 -2.383 221 1HG LYS 28 2HG LYS 28 3.418 9.302 -3.501 222 2HG LYS 28 1HG LYS 28 2.025 8.774 -4.452 223 1HD LYS 28 2HD LYS 28 2.864 11.674 -4.175 224 2HD LYS 28 1HD LYS 28 3.369 10.644 -5.511 225 1HE LYS 28 2HE LYS 28 1.475 11.485 -6.496 226 2HE LYS 28 1HE LYS 28 0.691 10.199 -5.580 227 1HZ LYS 28 1HZ LYS 28 1.121 12.911 -4.470 228 2HZ LYS 28 2HZ LYS 28 0.097 11.687 -3.882 229 3HZ LYS 28 3HZ LYS 28 -0.279 12.491 -5.332 230 H ALA 29 H ALA 29 2.567 10.574 0.181 231 HA ALA 29 HA ALA 29 5.353 10.294 -0.180 232 1HB ALA 29 1HB ALA 29 4.108 12.274 0.820 233 2HB ALA 29 2HB ALA 29 5.564 11.753 1.664 234 3HB ALA 29 3HB ALA 29 3.977 11.306 2.287 235 H PHE 30 H PHE 30 3.068 9.087 2.213 236 HA PHE 30 HA PHE 30 4.976 7.774 3.780 237 1HB PHE 30 2HB PHE 30 2.021 7.304 3.438 238 2HB PHE 30 1HB PHE 30 3.031 6.526 4.653 239 HD1 PHE 30 1HD PHE 30 0.714 9.019 4.364 240 HD2 PHE 30 2HD PHE 30 4.763 8.485 5.780 241 HE1 PHE 30 1HE PHE 30 0.467 10.954 5.871 242 HE2 PHE 30 2HE PHE 30 4.489 10.437 7.227 243 HZ PHE 30 HZ PHE 30 2.352 11.645 7.299 244 H ILE 31 H ILE 31 2.951 6.886 1.035 245 HA ILE 31 HA ILE 31 3.680 4.163 0.955 246 HB ILE 31 HB ILE 31 2.666 6.073 -1.142 247 1HG1 ILE 31 2HG1 ILE 31 1.532 3.516 0.046 248 2HG1 ILE 31 1HG1 ILE 31 1.115 5.137 0.583 249 1HG2 ILE 31 1HG2 ILE 31 2.457 3.762 -2.485 250 2HG2 ILE 31 2HG2 ILE 31 3.891 3.353 -1.550 251 3HG2 ILE 31 3HG2 ILE 31 3.904 4.758 -2.612 252 1HD1 ILE 31 1HD1 ILE 31 0.694 4.084 -2.227 253 2HD1 ILE 31 2HD1 ILE 31 0.193 5.663 -1.618 254 3HD1 ILE 31 3HD1 ILE 31 -0.563 4.194 -0.994 255 H ASP 32 H ASP 32 5.016 7.050 -0.542 256 HA ASP 32 HA ASP 32 7.056 5.727 -1.939 257 1HB ASP 32 2HB ASP 32 6.326 8.089 -2.347 258 2HB ASP 32 1HB ASP 32 7.105 8.561 -0.839 259 H SER 33 H SER 33 6.975 7.064 1.295 260 HA SER 33 HA SER 33 9.713 6.577 1.928 261 1HB SER 33 2HB SER 33 8.134 8.140 3.143 262 2HB SER 33 1HB SER 33 7.395 6.714 3.864 263 HG SER 33 HG SER 33 9.655 6.176 4.480 264 H LEU 34 H LEU 34 6.745 4.785 2.167 265 HA LEU 34 HA LEU 34 7.524 2.471 3.644 266 1HB LEU 34 2HB LEU 34 5.362 3.379 1.848 267 2HB LEU 34 1HB LEU 34 5.653 1.671 1.817 268 HG LEU 34 HG LEU 34 5.626 2.669 4.523 269 1HD1 LEU 34 1HD1 LEU 34 3.983 4.248 4.087 270 2HD1 LEU 34 2HD1 LEU 34 2.984 2.818 4.323 271 3HD1 LEU 34 3HD1 LEU 34 3.370 3.362 2.695 272 1HD2 LEU 34 1HD2 LEU 34 5.434 0.382 4.146 273 2HD2 LEU 34 2HD2 LEU 34 4.243 0.579 2.881 274 3HD2 LEU 34 3HD2 LEU 34 3.797 0.857 4.567 275 H ARG 35 H ARG 35 7.319 3.161 0.209 276 HA ARG 35 HA ARG 35 8.409 0.785 -0.835 277 1HB ARG 35 2HB ARG 35 8.473 3.616 -1.898 278 2HB ARG 35 1HB ARG 35 8.881 2.186 -2.846 279 1HG ARG 35 2HG ARG 35 6.645 1.307 -2.570 280 2HG ARG 35 1HG ARG 35 6.241 2.591 -1.467 281 1HD ARG 35 2HD ARG 35 5.290 3.206 -3.563 282 2HD ARG 35 1HD ARG 35 6.690 4.241 -3.303 283 HE ARG 35 HE ARG 35 7.620 3.296 -5.166 284 1HH1 ARG 35 1HH1 ARG 35 5.357 1.086 -3.774 285 2HH1 ARG 35 2HH1 ARG 35 5.472 -0.052 -5.082 286 1HH2 ARG 35 1HH2 ARG 35 7.702 1.872 -6.905 287 2HH2 ARG 35 2HH2 ARG 35 6.806 0.393 -6.846 288 H ASP 36 H ASP 36 9.913 3.856 0.067 289 HA ASP 36 HA ASP 36 12.565 3.220 -0.690 290 1HB ASP 36 2HB ASP 36 11.708 5.519 -0.345 291 2HB ASP 36 1HB ASP 36 11.631 5.177 1.372 292 H ASP 37 H ASP 37 10.742 2.919 2.282 293 HA ASP 37 HA ASP 37 12.674 0.994 3.307 294 1HB ASP 37 2HB ASP 37 13.288 3.338 4.156 295 2HB ASP 37 1HB ASP 37 11.791 3.273 5.081 296 HA PRO 38 HA PRO 38 8.460 -0.418 3.983 297 1HB PRO 38 2HB PRO 38 9.489 -3.090 4.008 298 2HB PRO 38 1HB PRO 38 8.498 -2.299 2.793 299 1HG PRO 38 2HG PRO 38 11.143 -3.067 2.503 300 2HG PRO 38 1HG PRO 38 10.244 -1.972 1.444 301 1HD PRO 38 2HD PRO 38 12.278 -1.339 3.494 302 2HD PRO 38 1HD PRO 38 11.765 -0.401 2.073 303 H SER 39 H SER 39 11.377 -1.326 5.700 304 HA SER 39 HA SER 39 10.158 -2.593 7.928 305 1HB SER 39 2HB SER 39 12.744 -1.005 7.895 306 2HB SER 39 1HB SER 39 12.270 -2.222 9.075 307 HG SER 39 HG SER 39 12.027 -3.512 6.928 308 H GLN 40 H GLN 40 10.701 0.675 6.946 309 HA GLN 40 HA GLN 40 9.983 1.893 9.460 310 1HB GLN 40 2HB GLN 40 11.627 2.801 7.714 311 2HB GLN 40 1HB GLN 40 10.210 3.234 6.764 312 1HG GLN 40 2HG GLN 40 9.388 4.638 8.613 313 2HG GLN 40 1HG GLN 40 10.786 4.186 9.587 314 1HE2 GLN 40 1HE2 GLN 40 12.563 5.566 9.406 315 2HE2 GLN 40 2HE2 GLN 40 12.814 6.659 8.132 316 H SER 41 H SER 41 8.189 0.389 7.082 317 HA SER 41 HA SER 41 6.111 2.029 6.366 318 1HB SER 41 2HB SER 41 4.768 -0.007 6.186 319 2HB SER 41 1HB SER 41 6.409 -0.325 5.647 320 HG SER 41 HG SER 41 5.244 -0.943 8.160 321 H ALA 42 H ALA 42 6.517 0.334 9.446 322 HA ALA 42 HA ALA 42 3.972 0.889 10.571 323 1HB ALA 42 1HB ALA 42 5.006 0.249 12.651 324 2HB ALA 42 2HB ALA 42 6.616 0.558 11.988 325 3HB ALA 42 3HB ALA 42 5.656 -0.797 11.388 326 H ASN 43 H ASN 43 7.060 2.488 10.527 327 HA ASN 43 HA ASN 43 6.507 4.538 12.374 328 1HB ASN 43 2HB ASN 43 8.574 3.841 10.379 329 2HB ASN 43 1HB ASN 43 8.492 5.536 10.869 330 1HD2 ASN 43 1HD2 ASN 43 10.134 5.798 12.412 331 2HD2 ASN 43 2HD2 ASN 43 10.394 4.760 13.729 332 H LEU 44 H LEU 44 6.182 4.177 8.945 333 HA LEU 44 HA LEU 44 5.597 6.895 8.309 334 1HB LEU 44 2HB LEU 44 5.121 4.304 6.806 335 2HB LEU 44 1HB LEU 44 5.103 5.933 6.102 336 HG LEU 44 HG LEU 44 7.444 4.940 7.708 337 1HD1 LEU 44 1HD1 LEU 44 6.803 4.407 4.866 338 2HD1 LEU 44 2HD1 LEU 44 7.609 3.395 6.067 339 3HD1 LEU 44 3HD1 LEU 44 8.476 4.733 5.322 340 1HD2 LEU 44 1HD2 LEU 44 6.993 7.152 5.757 341 2HD2 LEU 44 2HD2 LEU 44 8.560 6.730 6.445 342 3HD2 LEU 44 3HD2 LEU 44 7.257 7.282 7.493 343 H LEU 45 H LEU 45 3.909 4.038 9.018 344 HA LEU 45 HA LEU 45 1.248 4.951 8.593 345 1HB LEU 45 2HB LEU 45 1.545 2.604 8.792 346 2HB LEU 45 1HB LEU 45 2.488 2.763 10.267 347 HG LEU 45 HG LEU 45 0.495 3.505 11.489 348 1HD1 LEU 45 1HD1 LEU 45 -0.781 3.334 8.757 349 2HD1 LEU 45 2HD1 LEU 45 -0.801 4.680 9.895 350 3HD1 LEU 45 3HD1 LEU 45 -1.742 3.230 10.231 351 1HD2 LEU 45 1HD2 LEU 45 0.960 1.115 11.373 352 2HD2 LEU 45 2HD2 LEU 45 0.079 0.985 9.850 353 3HD2 LEU 45 3HD2 LEU 45 -0.783 1.376 11.342 354 H ALA 46 H ALA 46 3.542 5.015 11.200 355 HA ALA 46 HA ALA 46 1.935 6.134 13.224 356 1HB ALA 46 1HB ALA 46 4.853 6.748 13.009 357 2HB ALA 46 2HB ALA 46 4.358 5.074 13.280 358 3HB ALA 46 3HB ALA 46 3.913 6.323 14.443 359 H GLU 47 H GLU 47 4.152 7.459 10.882 360 HA GLU 47 HA GLU 47 3.961 10.171 11.535 361 1HB GLU 47 2HB GLU 47 4.696 8.605 9.092 362 2HB GLU 47 1HB GLU 47 4.649 10.367 9.063 363 1HG GLU 47 2HG GLU 47 6.418 8.586 10.718 364 2HG GLU 47 1HG GLU 47 6.888 9.720 9.459 365 H ALA 48 H ALA 48 2.131 8.019 9.491 366 HA ALA 48 HA ALA 48 0.637 9.942 8.110 367 1HB ALA 48 1HB ALA 48 -0.261 8.116 7.128 368 2HB ALA 48 2HB ALA 48 -0.606 7.343 8.674 369 3HB ALA 48 3HB ALA 48 1.005 7.260 7.989 370 H LYS 49 H LYS 49 -0.008 8.002 11.002 371 HA LYS 49 HA LYS 49 -2.564 9.063 11.545 372 1HB LYS 49 2HB LYS 49 -0.447 7.910 13.381 373 2HB LYS 49 1HB LYS 49 -2.069 8.352 13.920 374 1HG LYS 49 2HG LYS 49 -3.034 6.811 12.225 375 2HG LYS 49 1HG LYS 49 -1.406 6.334 11.750 376 1HD LYS 49 2HD LYS 49 -0.986 5.564 14.089 377 2HD LYS 49 1HD LYS 49 -2.659 5.956 14.488 378 1HE LYS 49 2HE LYS 49 -3.436 4.371 12.746 379 2HE LYS 49 1HE LYS 49 -1.759 3.960 12.387 380 1HZ LYS 49 1HZ LYS 49 -3.098 3.601 15.012 381 2HZ LYS 49 2HZ LYS 49 -1.485 3.198 14.657 382 3HZ LYS 49 3HZ LYS 49 -2.760 2.365 13.900 383 H LYS 50 H LYS 50 0.696 10.210 12.082 384 HA LYS 50 HA LYS 50 -0.043 12.338 13.820 385 1HB LYS 50 2HB LYS 50 2.456 11.600 12.316 386 2HB LYS 50 1HB LYS 50 2.330 13.130 13.188 387 1HG LYS 50 2HG LYS 50 2.090 12.046 15.281 388 2HG LYS 50 1HG LYS 50 1.677 10.505 14.533 389 1HD LYS 50 2HD LYS 50 4.004 10.531 15.437 390 2HD LYS 50 1HD LYS 50 3.959 10.244 13.701 391 1HE LYS 50 2HE LYS 50 5.718 11.895 14.389 392 2HE LYS 50 1HE LYS 50 4.552 12.561 13.248 393 1HZ LYS 50 1HZ LYS 50 3.442 13.699 14.966 394 2HZ LYS 50 2HZ LYS 50 5.096 13.984 15.228 395 3HZ LYS 50 3HZ LYS 50 4.266 12.851 16.182 396 H LEU 51 H LEU 51 0.576 11.968 10.407 397 HA LEU 51 HA LEU 51 0.315 14.719 9.766 398 1HB LEU 51 2HB LEU 51 0.586 12.193 8.257 399 2HB LEU 51 1HB LEU 51 -0.263 13.485 7.426 400 HG LEU 51 HG LEU 51 2.089 13.608 6.899 401 1HD1 LEU 51 1HD1 LEU 51 2.250 15.881 7.073 402 2HD1 LEU 51 2HD1 LEU 51 1.869 15.886 8.793 403 3HD1 LEU 51 3HD1 LEU 51 0.579 15.711 7.606 404 1HD2 LEU 51 1HD2 LEU 51 3.455 12.760 8.506 405 2HD2 LEU 51 2HD2 LEU 51 2.371 13.229 9.817 406 3HD2 LEU 51 3HD2 LEU 51 3.468 14.413 9.107 407 H ASN 52 H ASN 52 -1.824 11.959 9.793 408 HA ASN 52 HA ASN 52 -4.099 13.195 8.657 409 1HB ASN 52 2HB ASN 52 -4.334 10.902 8.698 410 2HB ASN 52 1HB ASN 52 -3.541 10.733 10.255 411 1HD2 ASN 52 1HD2 ASN 52 -4.948 10.170 11.906 412 2HD2 ASN 52 2HD2 ASN 52 -6.608 10.522 11.934 413 H ASP 53 H ASP 53 -2.992 12.642 11.978 414 HA ASP 53 HA ASP 53 -5.155 13.931 13.235 415 1HB ASP 53 2HB ASP 53 -2.320 13.479 14.152 416 2HB ASP 53 1HB ASP 53 -3.558 14.195 15.178 417 H ALA 54 H ALA 54 -2.062 15.097 12.049 418 HA ALA 54 HA ALA 54 -2.289 17.760 12.989 419 1HB ALA 54 1HB ALA 54 -0.658 16.468 10.803 420 2HB ALA 54 2HB ALA 54 -0.118 16.951 12.410 421 3HB ALA 54 3HB ALA 54 -0.520 18.180 11.210 422 H GLN 55 H GLN 55 -3.184 16.099 10.021 423 HA GLN 55 HA GLN 55 -4.094 18.484 8.675 424 1HB GLN 55 2HB GLN 55 -4.147 15.544 8.026 425 2HB GLN 55 1HB GLN 55 -5.012 16.721 7.034 426 1HG GLN 55 2HG GLN 55 -2.988 17.937 6.556 427 2HG GLN 55 1HG GLN 55 -2.077 17.001 7.736 428 1HE2 GLN 55 1HE2 GLN 55 -1.105 15.109 7.021 429 2HE2 GLN 55 2HE2 GLN 55 -1.318 14.430 5.478 430 H ALA 56 H ALA 56 -5.309 16.580 11.118 431 HA ALA 56 HA ALA 56 -8.104 16.552 10.425 432 1HB ALA 56 1HB ALA 56 -8.450 15.521 12.492 433 2HB ALA 56 2HB ALA 56 -7.090 16.348 13.248 434 3HB ALA 56 3HB ALA 56 -6.802 15.027 12.121 435 HA PRO 57 HA PRO 57 -9.250 20.503 11.917 436 1HB PRO 57 2HB PRO 57 -11.768 19.585 12.992 437 2HB PRO 57 1HB PRO 57 -11.456 20.324 11.415 438 1HG PRO 57 2HG PRO 57 -12.266 17.756 11.754 439 2HG PRO 57 1HG PRO 57 -11.311 18.318 10.369 440 1HD PRO 57 2HD PRO 57 -10.363 16.988 12.887 441 2HD PRO 57 1HD PRO 57 -9.926 16.622 11.197 442 H LYS 58 H LYS 58 -9.968 21.751 13.802 443 HA LYS 58 HA LYS 58 -9.459 20.481 16.410 444 1HB LYS 58 2HB LYS 58 -8.321 23.121 15.572 445 2HB LYS 58 1HB LYS 58 -8.057 22.318 17.106 446 1HG LYS 58 2HG LYS 58 -7.240 21.142 14.426 447 2HG LYS 58 1HG LYS 58 -6.155 22.071 15.454 448 1HD LYS 58 2HD LYS 58 -6.366 20.446 17.251 449 2HD LYS 58 1HD LYS 58 -7.592 19.552 16.358 450 1HE LYS 58 2HE LYS 58 -4.821 20.008 15.235 451 2HE LYS 58 1HE LYS 58 -5.197 18.625 16.262 452 1HZ LYS 58 1HZ LYS 58 -6.126 19.238 13.552 453 2HZ LYS 58 2HZ LYS 58 -7.182 18.397 14.586 454 3HZ LYS 58 3HZ LYS 58 -5.651 17.753 14.224 455 1H VAL 1 1HT VAL 1 -19.011 -7.436 2.950 456 2H VAL 1 2HT VAL 1 -19.949 -6.037 3.179 457 3H VAL 1 3HT VAL 1 -18.295 -6.029 3.568 458 HA VAL 1 HA VAL 1 -19.318 -6.488 0.829 459 HB VAL 1 HB VAL 1 -19.985 -4.242 1.678 460 1HG1 VAL 1 1HG1 VAL 1 -18.037 -4.063 3.304 461 2HG1 VAL 1 2HG1 VAL 1 -18.355 -2.612 2.357 462 3HG1 VAL 1 3HG1 VAL 1 -17.015 -3.672 1.920 463 1HG2 VAL 1 1HG2 VAL 1 -17.700 -4.050 -0.312 464 2HG2 VAL 1 2HG2 VAL 1 -19.096 -2.980 -0.184 465 3HG2 VAL 1 3HG2 VAL 1 -19.308 -4.645 -0.723 466 H ASP 2 H ASP 2 -16.704 -5.898 3.113 467 HA ASP 2 HA ASP 2 -14.610 -6.042 1.127 468 1HB ASP 2 2HB ASP 2 -14.442 -4.742 3.280 469 2HB ASP 2 1HB ASP 2 -14.371 -6.279 4.139 470 H ASN 3 H ASN 3 -13.816 -7.858 0.291 471 HA ASN 3 HA ASN 3 -14.719 -10.426 0.931 472 1HB ASN 3 2HB ASN 3 -13.666 -9.656 -1.248 473 2HB ASN 3 1HB ASN 3 -12.106 -9.793 -0.445 474 1HD2 ASN 3 1HD2 ASN 3 -11.435 -11.563 -1.850 475 2HD2 ASN 3 2HD2 ASN 3 -12.108 -13.113 -1.697 476 H LYS 4 H LYS 4 -13.523 -12.244 1.752 477 HA LYS 4 HA LYS 4 -12.270 -11.763 4.239 478 1HB LYS 4 2HB LYS 4 -11.754 -14.240 4.143 479 2HB LYS 4 1HB LYS 4 -13.452 -13.806 3.988 480 1HG LYS 4 2HG LYS 4 -13.585 -14.689 1.920 481 2HG LYS 4 1HG LYS 4 -12.152 -13.826 1.384 482 1HD LYS 4 2HD LYS 4 -12.127 -16.391 3.002 483 2HD LYS 4 1HD LYS 4 -11.875 -16.297 1.262 484 1HE LYS 4 2HE LYS 4 -10.007 -14.519 2.045 485 2HE LYS 4 1HE LYS 4 -10.047 -15.527 3.489 486 1HZ LYS 4 1HZ LYS 4 -9.172 -17.271 2.406 487 2HZ LYS 4 2HZ LYS 4 -8.585 -16.084 1.342 488 3HZ LYS 4 3HZ LYS 4 -9.997 -16.948 0.961 489 H PHE 5 H PHE 5 -11.058 -11.497 1.153 490 HA PHE 5 HA PHE 5 -8.391 -12.398 1.563 491 1HB PHE 5 2HB PHE 5 -9.886 -10.942 -0.574 492 2HB PHE 5 1HB PHE 5 -8.125 -10.847 -0.586 493 HD1 PHE 5 1HD PHE 5 -10.646 -13.484 0.237 494 HD2 PHE 5 2HD PHE 5 -7.156 -12.416 -2.020 495 HE1 PHE 5 1HE PHE 5 -10.551 -15.780 -0.706 496 HE2 PHE 5 2HE PHE 5 -7.055 -14.707 -2.957 497 HZ PHE 5 HZ PHE 5 -8.749 -16.391 -2.297 498 H ASN 6 H ASN 6 -9.593 -10.292 3.446 499 HA ASN 6 HA ASN 6 -8.251 -7.833 3.025 500 1HB ASN 6 2HB ASN 6 -10.071 -8.314 4.747 501 2HB ASN 6 1HB ASN 6 -8.810 -9.055 5.733 502 1HD2 ASN 6 1HD2 ASN 6 -6.687 -7.455 5.700 503 2HD2 ASN 6 2HD2 ASN 6 -7.064 -5.855 6.110 504 H LYS 7 H LYS 7 -7.273 -10.758 4.800 505 HA LYS 7 HA LYS 7 -4.713 -9.823 5.585 506 1HB LYS 7 2HB LYS 7 -5.748 -11.836 6.558 507 2HB LYS 7 1HB LYS 7 -5.657 -12.646 4.999 508 1HG LYS 7 2HG LYS 7 -3.165 -12.396 5.055 509 2HG LYS 7 1HG LYS 7 -3.303 -11.680 6.657 510 1HD LYS 7 2HD LYS 7 -2.765 -14.060 6.866 511 2HD LYS 7 1HD LYS 7 -4.388 -13.761 7.480 512 1HE LYS 7 2HE LYS 7 -4.021 -15.802 5.901 513 2HE LYS 7 1HE LYS 7 -5.419 -14.769 5.615 514 1HZ LYS 7 1HZ LYS 7 -2.843 -14.269 4.254 515 2HZ LYS 7 2HZ LYS 7 -4.401 -13.758 3.804 516 3HZ LYS 7 3HZ LYS 7 -3.956 -15.389 3.635 517 H GLU 8 H GLU 8 -5.917 -11.557 2.765 518 HA GLU 8 HA GLU 8 -3.442 -11.890 1.417 519 1HB GLU 8 2HB GLU 8 -6.339 -11.891 0.499 520 2HB GLU 8 1HB GLU 8 -4.995 -12.177 -0.611 521 1HG GLU 8 2HG GLU 8 -5.299 -14.360 -0.022 522 2HG GLU 8 1HG GLU 8 -4.347 -13.915 1.392 523 H ARG 9 H ARG 9 -5.854 -9.339 1.483 524 HA ARG 9 HA ARG 9 -5.031 -7.874 -0.759 525 1HB ARG 9 2HB ARG 9 -7.182 -7.465 0.279 526 2HB ARG 9 1HB ARG 9 -6.409 -6.968 1.784 527 1HG ARG 9 2HG ARG 9 -5.358 -5.067 0.651 528 2HG ARG 9 1HG ARG 9 -6.045 -5.579 -0.885 529 1HD ARG 9 2HD ARG 9 -7.379 -3.767 0.113 530 2HD ARG 9 1HD ARG 9 -8.315 -5.254 0.026 531 HE ARG 9 HE ARG 9 -6.921 -4.529 2.531 532 1HH1 ARG 9 1HH2 ARG 9 -9.102 -6.721 1.640 533 2HH1 ARG 9 2HH2 ARG 9 -10.417 -6.186 2.629 534 1HH2 ARG 9 1HH1 ARG 9 -8.932 -3.161 3.420 535 2HH2 ARG 9 2HH1 ARG 9 -10.325 -4.171 3.633 536 H VAL 10 H VAL 10 -4.165 -7.534 2.724 537 HA VAL 10 HA VAL 10 -2.491 -5.317 2.327 538 HB VAL 10 HB VAL 10 -2.120 -5.310 4.518 539 1HG1 VAL 10 1HG1 VAL 10 -3.740 -6.329 5.873 540 2HG1 VAL 10 2HG1 VAL 10 -3.788 -7.788 4.872 541 3HG1 VAL 10 3HG1 VAL 10 -4.514 -6.294 4.280 542 1HG2 VAL 10 1HG2 VAL 10 -0.314 -7.002 4.249 543 2HG2 VAL 10 2HG2 VAL 10 -1.514 -8.256 4.590 544 3HG2 VAL 10 3HG2 VAL 10 -1.125 -7.040 5.816 545 H ILE 11 H ILE 11 -1.823 -8.774 2.014 546 HA ILE 11 HA ILE 11 0.990 -8.492 1.728 547 HB ILE 11 HB ILE 11 -0.836 -10.593 0.520 548 1HG1 ILE 11 2HG1 ILE 11 0.399 -10.176 3.201 549 2HG1 ILE 11 1HG1 ILE 11 -1.063 -11.052 2.765 550 1HG2 ILE 11 1HG2 ILE 11 2.179 -10.634 0.943 551 2HG2 ILE 11 2HG2 ILE 11 1.399 -10.359 -0.616 552 3HG2 ILE 11 3HG2 ILE 11 1.207 -11.905 0.200 553 1HD1 ILE 11 1HD1 ILE 11 0.559 -12.810 1.731 554 2HD1 ILE 11 2HD1 ILE 11 0.402 -12.756 3.483 555 3HD1 ILE 11 3HD1 ILE 11 1.801 -12.011 2.701 556 H ALA 12 H ALA 12 -1.724 -8.244 -0.552 557 HA ALA 12 HA ALA 12 -0.142 -7.957 -2.907 558 1HB ALA 12 1HB ALA 12 -2.444 -8.515 -3.210 559 2HB ALA 12 2HB ALA 12 -2.275 -6.849 -3.768 560 3HB ALA 12 3HB ALA 12 -2.969 -7.185 -2.184 561 H ILE 13 H ILE 13 -1.630 -5.660 -0.662 562 HA ILE 13 HA ILE 13 -0.840 -3.296 -1.967 563 HB ILE 13 HB ILE 13 -1.169 -3.866 1.007 564 1HG1 ILE 13 2HG1 ILE 13 -3.067 -2.574 -0.932 565 2HG1 ILE 13 1HG1 ILE 13 -3.108 -4.298 -0.582 566 1HG2 ILE 13 1HG2 ILE 13 -0.004 -1.771 0.805 567 2HG2 ILE 13 2HG2 ILE 13 -1.704 -1.394 1.086 568 3HG2 ILE 13 3HG2 ILE 13 -1.021 -1.273 -0.535 569 1HD1 ILE 13 1HD1 ILE 13 -3.490 -3.793 1.795 570 2HD1 ILE 13 2HD1 ILE 13 -4.741 -3.068 0.786 571 3HD1 ILE 13 3HD1 ILE 13 -3.431 -2.080 1.425 572 H GLY 14 H GLY 14 0.710 -5.291 0.483 573 1HA GLY 14 2HA GLY 14 3.134 -3.882 0.737 574 2HA GLY 14 1HA GLY 14 2.908 -5.599 1.056 575 H GLU 15 H GLU 15 2.112 -6.427 -1.499 576 HA GLU 15 HA GLU 15 4.622 -6.845 -2.701 577 1HB GLU 15 2HB GLU 15 2.488 -8.271 -2.816 578 2HB GLU 15 1HB GLU 15 1.983 -7.185 -4.083 579 1HG GLU 15 2HG GLU 15 3.088 -9.122 -5.091 580 2HG GLU 15 1HG GLU 15 4.074 -7.692 -5.356 581 H ILE 16 H ILE 16 1.873 -4.693 -3.461 582 HA ILE 16 HA ILE 16 2.972 -3.639 -5.869 583 HB ILE 16 HB ILE 16 1.694 -1.670 -3.966 584 1HG1 ILE 16 2HG1 ILE 16 0.284 -3.727 -3.793 585 2HG1 ILE 16 1HG1 ILE 16 -0.549 -2.347 -4.452 586 1HG2 ILE 16 1HG2 ILE 16 2.355 -0.876 -6.136 587 2HG2 ILE 16 2HG2 ILE 16 0.602 -0.935 -6.081 588 3HG2 ILE 16 3HG2 ILE 16 1.495 -2.179 -6.938 589 1HD1 ILE 16 1HD1 ILE 16 -0.310 -3.170 -6.691 590 2HD1 ILE 16 2HD1 ILE 16 -0.992 -4.463 -5.701 591 3HD1 ILE 16 3HD1 ILE 16 0.717 -4.498 -6.144 592 H MET 17 H MET 17 3.235 -2.541 -2.544 593 HA MET 17 HA MET 17 5.023 -0.403 -2.853 594 1HB MET 17 2HB MET 17 4.648 -2.180 -0.463 595 2HB MET 17 1HB MET 17 5.254 -0.516 -0.483 596 1HG MET 17 2HG MET 17 2.529 -1.246 -1.554 597 2HG MET 17 1HG MET 17 2.779 -0.778 0.117 598 1HE MET 17 1HE MET 17 3.285 2.351 0.552 599 2HE MET 17 2HE MET 17 4.858 2.137 -0.218 600 3HE MET 17 3HE MET 17 4.158 0.814 0.742 601 H ARG 18 H ARG 18 5.605 -3.877 -2.537 602 HA ARG 18 HA ARG 18 8.395 -3.762 -2.035 603 1HB ARG 18 2HB ARG 18 6.677 -5.868 -3.275 604 2HB ARG 18 1HB ARG 18 8.386 -6.094 -2.993 605 1HG ARG 18 2HG ARG 18 6.815 -5.121 -0.677 606 2HG ARG 18 1HG ARG 18 6.467 -6.762 -1.206 607 1HD ARG 18 2HD ARG 18 9.272 -5.763 -0.683 608 2HD ARG 18 1HD ARG 18 8.285 -6.534 0.553 609 HE ARG 18 HE ARG 18 9.743 -7.885 -1.445 610 1HH1 ARG 18 1HH1 ARG 18 8.565 -9.224 0.987 611 2HH1 ARG 18 2HH1 ARG 18 7.403 -10.297 0.285 612 1HH2 ARG 18 1HH2 ARG 18 7.382 -8.687 -2.780 613 2HH2 ARG 18 2HH2 ARG 18 6.731 -9.991 -1.845 614 H LEU 19 H LEU 19 6.452 -3.838 -4.972 615 HA LEU 19 HA LEU 19 8.475 -4.250 -6.862 616 1HB LEU 19 2HB LEU 19 5.938 -2.651 -7.127 617 2HB LEU 19 1HB LEU 19 6.931 -3.164 -8.458 618 HG LEU 19 HG LEU 19 5.665 -5.068 -6.489 619 1HD1 LEU 19 1HD1 LEU 19 4.739 -4.246 -9.251 620 2HD1 LEU 19 2HD1 LEU 19 3.935 -3.849 -7.732 621 3HD1 LEU 19 3HD1 LEU 19 4.019 -5.518 -8.266 622 1HD2 LEU 19 1HD2 LEU 19 6.314 -5.924 -9.210 623 2HD2 LEU 19 2HD2 LEU 19 6.620 -6.721 -7.671 624 3HD2 LEU 19 3HD2 LEU 19 7.713 -5.471 -8.250 625 HA PRO 20 HA PRO 20 10.480 -0.287 -6.227 626 1HB PRO 20 2HB PRO 20 12.676 -1.249 -7.826 627 2HB PRO 20 1HB PRO 20 12.606 -1.025 -6.075 628 1HG PRO 20 2HG PRO 20 12.808 -3.438 -7.342 629 2HG PRO 20 1HG PRO 20 12.180 -3.203 -5.702 630 1HD PRO 20 2HD PRO 20 10.680 -3.610 -8.258 631 2HD PRO 20 1HD PRO 20 10.325 -4.209 -6.621 632 H ASN 21 H ASN 21 9.425 -1.711 -9.185 633 HA ASN 21 HA ASN 21 10.399 0.529 -10.810 634 1HB ASN 21 2HB ASN 21 8.826 -1.892 -11.668 635 2HB ASN 21 1HB ASN 21 9.609 -0.724 -12.715 636 1HD2 ASN 21 1HD2 ASN 21 10.115 -3.711 -12.280 637 2HD2 ASN 21 2HD2 ASN 21 11.778 -3.804 -11.954 638 H LEU 22 H LEU 22 7.508 -0.447 -9.133 639 HA LEU 22 HA LEU 22 5.658 0.950 -10.808 640 1HB LEU 22 2HB LEU 22 5.387 0.185 -7.904 641 2HB LEU 22 1HB LEU 22 4.094 0.834 -8.886 642 HG LEU 22 HG LEU 22 5.481 -1.828 -9.121 643 1HD1 LEU 22 1HD1 LEU 22 2.626 -0.884 -8.778 644 2HD1 LEU 22 2HD1 LEU 22 3.575 -1.873 -7.672 645 3HD1 LEU 22 3HD1 LEU 22 3.026 -2.547 -9.210 646 1HD2 LEU 22 1HD2 LEU 22 3.916 -2.018 -11.161 647 2HD2 LEU 22 2HD2 LEU 22 5.442 -1.161 -11.353 648 3HD2 LEU 22 3HD2 LEU 22 3.928 -0.264 -11.141 649 H ASN 23 H ASN 23 4.510 2.817 -10.354 650 HA ASN 23 HA ASN 23 6.137 4.976 -9.256 651 1HB ASN 23 2HB ASN 23 5.260 5.746 -11.221 652 2HB ASN 23 1HB ASN 23 3.934 4.636 -11.197 653 1HD2 ASN 23 1HD2 ASN 23 4.958 7.388 -9.136 654 2HD2 ASN 23 2HD2 ASN 23 3.440 8.139 -9.162 655 H SER 24 H SER 24 5.190 6.449 -7.653 656 HA SER 24 HA SER 24 3.968 5.131 -5.486 657 1HB SER 24 2HB SER 24 3.715 7.352 -4.509 658 2HB SER 24 1HB SER 24 5.289 7.220 -5.285 659 HG SER 24 HG SER 24 4.035 8.113 -7.194 660 H LEU 25 H LEU 25 2.648 7.183 -8.030 661 HA LEU 25 HA LEU 25 -0.040 7.100 -7.129 662 1HB LEU 25 2HB LEU 25 1.401 8.207 -9.432 663 2HB LEU 25 1HB LEU 25 -0.219 7.683 -9.801 664 HG LEU 25 HG LEU 25 0.575 9.566 -7.620 665 1HD1 LEU 25 1HD1 LEU 25 0.668 10.568 -9.872 666 2HD1 LEU 25 2HD1 LEU 25 -0.677 11.233 -8.946 667 3HD1 LEU 25 3HD1 LEU 25 -0.977 10.010 -10.183 668 1HD2 LEU 25 1HD2 LEU 25 -1.324 8.833 -6.662 669 2HD2 LEU 25 2HD2 LEU 25 -1.779 7.938 -8.112 670 3HD2 LEU 25 3HD2 LEU 25 -2.177 9.654 -7.971 671 H GLN 26 H GLN 26 1.866 5.164 -9.383 672 HA GLN 26 HA GLN 26 -0.264 3.673 -10.497 673 1HB GLN 26 2HB GLN 26 2.662 3.129 -10.095 674 2HB GLN 26 1HB GLN 26 1.600 1.892 -10.749 675 1HG GLN 26 2HG GLN 26 0.958 3.394 -12.587 676 2HG GLN 26 1HG GLN 26 2.008 4.660 -11.925 677 1HE2 GLN 26 1HE2 GLN 26 3.637 1.878 -11.223 678 2HE2 GLN 26 2HE2 GLN 26 4.581 1.743 -12.624 679 H VAL 27 H VAL 27 1.738 3.342 -7.664 680 HA VAL 27 HA VAL 27 0.818 0.820 -6.834 681 HB VAL 27 HB VAL 27 2.123 3.080 -5.332 682 1HG1 VAL 27 1HG1 VAL 27 1.388 2.015 -3.457 683 2HG1 VAL 27 2HG1 VAL 27 2.588 0.793 -3.866 684 3HG1 VAL 27 3HG1 VAL 27 0.908 0.572 -4.346 685 1HG2 VAL 27 1HG2 VAL 27 3.590 0.606 -5.602 686 2HG2 VAL 27 2HG2 VAL 27 4.016 2.207 -6.197 687 3HG2 VAL 27 3HG2 VAL 27 3.018 1.134 -7.183 688 H VAL 28 H VAL 28 -0.157 4.102 -6.059 689 HA VAL 28 HA VAL 28 -2.219 3.447 -4.270 690 HB VAL 28 HB VAL 28 -1.981 5.804 -6.166 691 1HG1 VAL 28 1HG1 VAL 28 -3.923 6.559 -5.308 692 2HG1 VAL 28 2HG1 VAL 28 -3.399 6.220 -3.657 693 3HG1 VAL 28 3HG1 VAL 28 -4.146 4.950 -4.625 694 1HG2 VAL 28 1HG2 VAL 28 -1.466 6.331 -3.346 695 2HG2 VAL 28 2HG2 VAL 28 -0.438 6.665 -4.743 696 3HG2 VAL 28 3HG2 VAL 28 -0.370 5.090 -3.952 697 H ALA 29 H ALA 29 -1.969 3.529 -7.774 698 HA ALA 29 HA ALA 29 -4.684 3.373 -8.480 699 1HB ALA 29 1HB ALA 29 -2.796 1.808 -10.141 700 2HB ALA 29 2HB ALA 29 -2.302 3.477 -9.849 701 3HB ALA 29 3HB ALA 29 -3.864 3.140 -10.596 702 H PHE 30 H PHE 30 -2.247 0.878 -7.786 703 HA PHE 30 HA PHE 30 -4.027 -1.282 -8.163 704 1HB PHE 30 2HB PHE 30 -1.280 -1.042 -6.887 705 2HB PHE 30 1HB PHE 30 -2.118 -2.569 -7.185 706 HD1 PHE 30 1HD PHE 30 -3.250 -2.537 -9.805 707 HD2 PHE 30 2HD PHE 30 0.372 -0.542 -8.510 708 HE1 PHE 30 1HE PHE 30 -2.465 -2.379 -12.121 709 HE2 PHE 30 2HE PHE 30 1.110 -0.417 -10.839 710 HZ PHE 30 HZ PHE 30 -0.297 -1.342 -12.650 711 H ILE 31 H ILE 31 -2.779 0.465 -5.306 712 HA ILE 31 HA ILE 31 -3.959 -1.146 -3.321 713 HB ILE 31 HB ILE 31 -3.402 1.839 -3.319 714 1HG1 ILE 31 2HG1 ILE 31 -1.800 -0.401 -2.059 715 2HG1 ILE 31 1HG1 ILE 31 -1.440 0.229 -3.653 716 1HG2 ILE 31 1HG2 ILE 31 -3.384 1.524 -0.812 717 2HG2 ILE 31 2HG2 ILE 31 -4.070 -0.079 -1.071 718 3HG2 ILE 31 3HG2 ILE 31 -4.978 1.354 -1.548 719 1HD1 ILE 31 1HD1 ILE 31 -1.183 2.499 -2.692 720 2HD1 ILE 31 2HD1 ILE 31 -0.040 1.363 -1.963 721 3HD1 ILE 31 3HD1 ILE 31 -1.497 1.846 -1.081 722 H ASN 32 H ASN 32 -5.150 1.760 -4.947 723 HA ASN 32 HA ASN 32 -7.631 1.959 -3.684 724 1HB ASN 32 2HB ASN 32 -6.522 3.685 -5.125 725 2HB ASN 32 1HB ASN 32 -6.979 2.735 -6.534 726 1HD2 ASN 32 1HD2 ASN 32 -8.305 4.557 -7.229 727 2HD2 ASN 32 2HD2 ASN 32 -9.821 4.846 -6.521 728 H SER 33 H SER 33 -6.589 -0.163 -6.342 729 HA SER 33 HA SER 33 -9.236 -0.810 -7.155 730 1HB SER 33 2HB SER 33 -6.532 -1.685 -7.835 731 2HB SER 33 1HB SER 33 -7.834 -2.837 -8.142 732 HG SER 33 HG SER 33 -8.126 -0.146 -8.890 733 H LEU 34 H LEU 34 -7.002 -1.970 -4.759 734 HA LEU 34 HA LEU 34 -8.319 -4.440 -4.166 735 1HB LEU 34 2HB LEU 34 -6.930 -2.714 -2.106 736 2HB LEU 34 1HB LEU 34 -7.049 -4.465 -2.161 737 HG LEU 34 HG LEU 34 -5.479 -2.765 -4.106 738 1HD1 LEU 34 1HD1 LEU 34 -3.567 -3.256 -2.973 739 2HD1 LEU 34 2HD1 LEU 34 -4.211 -4.777 -2.324 740 3HD1 LEU 34 3HD1 LEU 34 -4.714 -3.231 -1.629 741 1HD2 LEU 34 1HD2 LEU 34 -5.450 -5.740 -3.785 742 2HD2 LEU 34 2HD2 LEU 34 -4.733 -4.797 -5.073 743 3HD2 LEU 34 3HD2 LEU 34 -6.478 -4.919 -4.939 744 H ARG 35 H ARG 35 -8.486 -1.134 -3.144 745 HA ARG 35 HA ARG 35 -10.571 -1.229 -1.221 746 1HB ARG 35 2HB ARG 35 -8.977 0.727 -2.503 747 2HB ARG 35 1HB ARG 35 -10.637 1.171 -2.863 748 1HG ARG 35 2HG ARG 35 -11.024 1.846 -0.744 749 2HG ARG 35 1HG ARG 35 -10.276 0.411 -0.053 750 1HD ARG 35 2HD ARG 35 -8.049 1.619 -0.914 751 2HD ARG 35 1HD ARG 35 -9.060 3.051 -0.739 752 HE ARG 35 HE ARG 35 -7.959 1.455 1.386 753 1HH1 ARG 35 1HH2 ARG 35 -10.806 1.269 2.078 754 2HH1 ARG 35 2HH2 ARG 35 -11.111 2.731 2.953 755 1HH2 ARG 35 1HH1 ARG 35 -8.259 4.322 1.803 756 2HH2 ARG 35 2HH1 ARG 35 -9.670 4.461 2.796 757 H ASP 36 H ASP 36 -10.556 -0.755 -4.714 758 HA ASP 36 HA ASP 36 -13.320 -0.365 -5.104 759 1HB ASP 36 2HB ASP 36 -11.168 -1.477 -6.936 760 2HB ASP 36 1HB ASP 36 -12.791 -1.050 -7.468 761 H ASP 37 H ASP 37 -11.307 -3.242 -4.926 762 HA ASP 37 HA ASP 37 -13.442 -4.937 -4.117 763 1HB ASP 37 2HB ASP 37 -12.826 -4.826 -7.005 764 2HB ASP 37 1HB ASP 37 -12.821 -6.447 -6.317 765 HA PRO 38 HA PRO 38 -9.461 -6.487 -2.739 766 1HB PRO 38 2HB PRO 38 -10.855 -7.939 -0.689 767 2HB PRO 38 1HB PRO 38 -9.830 -6.516 -0.525 768 1HG PRO 38 2HG PRO 38 -12.558 -6.599 -0.124 769 2HG PRO 38 1HG PRO 38 -11.589 -5.143 -0.372 770 1HD PRO 38 2HD PRO 38 -13.387 -6.542 -2.270 771 2HD PRO 38 1HD PRO 38 -12.893 -4.835 -2.215 772 H SER 39 H SER 39 -12.149 -8.067 -4.017 773 HA SER 39 HA SER 39 -11.511 -10.788 -3.635 774 1HB SER 39 2HB SER 39 -13.720 -9.941 -4.435 775 2HB SER 39 1HB SER 39 -12.968 -9.515 -5.969 776 HG SER 39 HG SER 39 -13.767 -11.538 -6.249 777 H GLN 40 H GLN 40 -10.651 -8.425 -6.139 778 HA GLN 40 HA GLN 40 -8.832 -10.385 -7.301 779 1HB GLN 40 2HB GLN 40 -9.148 -7.902 -8.808 780 2HB GLN 40 1HB GLN 40 -9.237 -9.558 -9.340 781 1HG GLN 40 2HG GLN 40 -11.440 -9.100 -9.660 782 2HG GLN 40 1HG GLN 40 -11.572 -9.405 -7.935 783 1HE2 GLN 40 1HE2 GLN 40 -9.984 -6.804 -7.409 784 2HE2 GLN 40 2HE2 GLN 40 -11.129 -5.575 -7.651 785 H SER 41 H SER 41 -8.201 -8.945 -4.819 786 HA SER 41 HA SER 41 -6.536 -6.770 -5.263 787 1HB SER 41 2HB SER 41 -6.462 -8.976 -3.196 788 2HB SER 41 1HB SER 41 -5.333 -7.630 -3.154 789 HG SER 41 HG SER 41 -7.293 -6.280 -3.238 790 H ALA 42 H ALA 42 -6.020 -10.143 -5.642 791 HA ALA 42 HA ALA 42 -3.196 -10.104 -6.048 792 1HB ALA 42 1HB ALA 42 -3.483 -12.404 -6.645 793 2HB ALA 42 2HB ALA 42 -5.195 -12.155 -7.003 794 3HB ALA 42 3HB ALA 42 -4.619 -12.073 -5.336 795 H ASN 43 H ASN 43 -6.008 -9.645 -8.054 796 HA ASN 43 HA ASN 43 -4.883 -10.173 -10.587 797 1HB ASN 43 2HB ASN 43 -7.301 -10.054 -9.860 798 2HB ASN 43 1HB ASN 43 -7.133 -8.305 -10.033 799 1HD2 ASN 43 1HD2 ASN 43 -6.169 -7.632 -12.283 800 2HD2 ASN 43 2HD2 ASN 43 -6.715 -8.508 -13.630 801 H LEU 44 H LEU 44 -5.688 -7.081 -9.003 802 HA LEU 44 HA LEU 44 -4.347 -5.678 -11.049 803 1HB LEU 44 2HB LEU 44 -4.998 -3.642 -10.016 804 2HB LEU 44 1HB LEU 44 -6.350 -4.745 -9.954 805 HG LEU 44 HG LEU 44 -5.977 -3.391 -7.932 806 1HD1 LEU 44 1HD1 LEU 44 -7.011 -4.899 -6.724 807 2HD1 LEU 44 2HD1 LEU 44 -5.744 -6.117 -6.970 808 3HD1 LEU 44 3HD1 LEU 44 -6.969 -5.853 -8.207 809 1HD2 LEU 44 1HD2 LEU 44 -3.882 -5.214 -7.017 810 2HD2 LEU 44 2HD2 LEU 44 -4.234 -3.556 -6.559 811 3HD2 LEU 44 3HD2 LEU 44 -3.412 -3.876 -8.067 812 H LEU 45 H LEU 45 -3.561 -7.081 -8.048 813 HA LEU 45 HA LEU 45 -1.079 -5.752 -7.574 814 1HB LEU 45 2HB LEU 45 -1.796 -7.080 -5.750 815 2HB LEU 45 1HB LEU 45 -2.264 -8.415 -6.796 816 HG LEU 45 HG LEU 45 0.098 -8.870 -7.304 817 1HD1 LEU 45 1HD1 LEU 45 1.861 -7.669 -6.086 818 2HD1 LEU 45 2HD1 LEU 45 0.646 -6.623 -5.354 819 3HD1 LEU 45 3HD1 LEU 45 0.932 -6.568 -7.085 820 1HD2 LEU 45 1HD2 LEU 45 -0.280 -10.254 -5.558 821 2HD2 LEU 45 2HD2 LEU 45 -1.049 -8.998 -4.600 822 3HD2 LEU 45 3HD2 LEU 45 0.705 -9.125 -4.634 823 H ALA 46 H ALA 46 -2.357 -8.348 -9.450 824 HA ALA 46 HA ALA 46 0.070 -9.397 -10.499 825 1HB ALA 46 1HB ALA 46 -2.060 -9.624 -12.424 826 2HB ALA 46 2HB ALA 46 -2.743 -9.892 -10.823 827 3HB ALA 46 3HB ALA 46 -1.397 -10.884 -11.387 828 H GLU 47 H GLU 47 -2.231 -6.928 -11.480 829 HA GLU 47 HA GLU 47 -1.049 -6.118 -13.902 830 1HB GLU 47 2HB GLU 47 -2.735 -4.570 -11.909 831 2HB GLU 47 1HB GLU 47 -2.288 -3.972 -13.500 832 1HG GLU 47 2HG GLU 47 -3.965 -6.391 -12.858 833 2HG GLU 47 1HG GLU 47 -4.514 -4.882 -13.564 834 H ALA 48 H ALA 48 -0.475 -5.384 -10.538 835 HA ALA 48 HA ALA 48 1.208 -3.123 -10.898 836 1HB ALA 48 1HB ALA 48 -0.063 -4.413 -8.810 837 2HB ALA 48 2HB ALA 48 1.098 -3.094 -8.650 838 3HB ALA 48 3HB ALA 48 1.643 -4.769 -8.529 839 H LYS 49 H LYS 49 1.778 -6.519 -10.151 840 HA LYS 49 HA LYS 49 4.597 -6.357 -10.154 841 1HB LYS 49 2HB LYS 49 2.603 -8.588 -10.399 842 2HB LYS 49 1HB LYS 49 4.333 -8.907 -10.507 843 1HG LYS 49 2HG LYS 49 4.564 -7.684 -8.294 844 2HG LYS 49 1HG LYS 49 2.803 -7.701 -8.196 845 1HD LYS 49 2HD LYS 49 4.468 -10.205 -8.580 846 2HD LYS 49 1HD LYS 49 3.969 -9.618 -7.000 847 1HE LYS 49 2HE LYS 49 1.635 -9.624 -8.617 848 2HE LYS 49 1HE LYS 49 2.452 -11.157 -8.911 849 1HZ LYS 49 1HZ LYS 49 2.541 -11.550 -6.549 850 2HZ LYS 49 2HZ LYS 49 0.934 -11.262 -7.019 851 3HZ LYS 49 3HZ LYS 49 1.822 -10.048 -6.231 852 H LYS 50 H LYS 50 2.148 -6.708 -12.550 853 HA LYS 50 HA LYS 50 3.788 -7.364 -14.803 854 1HB LYS 50 2HB LYS 50 1.319 -7.737 -14.611 855 2HB LYS 50 1HB LYS 50 1.113 -5.996 -14.708 856 1HG LYS 50 2HG LYS 50 2.512 -6.207 -16.912 857 2HG LYS 50 1HG LYS 50 2.052 -7.908 -16.833 858 1HD LYS 50 2HD LYS 50 0.057 -5.634 -16.653 859 2HD LYS 50 1HD LYS 50 0.468 -6.434 -18.168 860 1HE LYS 50 2HE LYS 50 -0.687 -7.802 -15.713 861 2HE LYS 50 1HE LYS 50 -1.582 -7.398 -17.176 862 1HZ LYS 50 1HZ LYS 50 0.562 -9.390 -16.816 863 2HZ LYS 50 2HZ LYS 50 0.221 -8.754 -18.354 864 3HZ LYS 50 3HZ LYS 50 -0.979 -9.594 -17.494 865 H LEU 51 H LEU 51 2.463 -4.404 -13.376 866 HA LEU 51 HA LEU 51 3.432 -2.637 -15.395 867 1HB LEU 51 2HB LEU 51 2.041 -2.400 -12.839 868 2HB LEU 51 1HB LEU 51 3.262 -1.148 -13.038 869 HG LEU 51 HG LEU 51 0.976 -0.584 -13.958 870 1HD1 LEU 51 1HD1 LEU 51 2.124 0.083 -16.272 871 2HD1 LEU 51 2HD1 LEU 51 3.578 -0.463 -15.427 872 3HD1 LEU 51 3HD1 LEU 51 2.591 0.848 -14.749 873 1HD2 LEU 51 1HD2 LEU 51 -0.008 -1.912 -15.514 874 2HD2 LEU 51 2HD2 LEU 51 1.223 -3.118 -15.133 875 3HD2 LEU 51 3HD2 LEU 51 1.473 -2.000 -16.472 876 H ASN 52 H ASN 52 4.598 -3.754 -12.321 877 HA ASN 52 HA ASN 52 6.959 -2.199 -12.208 878 1HB ASN 52 2HB ASN 52 6.219 -3.381 -10.246 879 2HB ASN 52 1HB ASN 52 6.278 -4.924 -11.082 880 1HD2 ASN 52 1HD2 ASN 52 8.456 -5.698 -11.732 881 2HD2 ASN 52 2HD2 ASN 52 9.819 -5.214 -10.846 882 H ASP 53 H ASP 53 6.006 -5.249 -13.621 883 HA ASP 53 HA ASP 53 8.596 -5.949 -14.648 884 1HB ASP 53 2HB ASP 53 6.660 -7.555 -14.402 885 2HB ASP 53 1HB ASP 53 5.921 -6.770 -15.796 886 H ALA 54 H ALA 54 5.878 -4.076 -15.797 887 HA ALA 54 HA ALA 54 6.666 -3.715 -18.483 888 1HB ALA 54 1HB ALA 54 5.103 -1.682 -16.927 889 2HB ALA 54 2HB ALA 54 4.404 -3.257 -17.303 890 3HB ALA 54 3HB ALA 54 4.912 -2.182 -18.607 891 H GLN 55 H GLN 55 7.307 -1.935 -15.505 892 HA GLN 55 HA GLN 55 8.889 0.085 -16.885 893 1HB GLN 55 2HB GLN 55 8.150 -0.357 -14.034 894 2HB GLN 55 1HB GLN 55 9.142 0.983 -14.572 895 1HG GLN 55 2HG GLN 55 7.375 2.001 -15.692 896 2HG GLN 55 1HG GLN 55 6.508 0.480 -15.911 897 1HE2 GLN 55 1HE2 GLN 55 5.988 -0.583 -13.599 898 2HE2 GLN 55 2HE2 GLN 55 5.284 0.490 -12.491 899 H ALA 56 H ALA 56 9.374 -2.984 -15.571 900 HA ALA 56 HA ALA 56 11.978 -2.672 -14.438 901 1HB ALA 56 1HB ALA 56 10.699 -5.143 -15.638 902 2HB ALA 56 2HB ALA 56 10.575 -4.649 -13.953 903 3HB ALA 56 3HB ALA 56 12.135 -5.118 -14.620 904 HA PRO 57 HA PRO 57 14.456 -2.715 -18.033 905 1HB PRO 57 2HB PRO 57 16.589 -4.241 -16.839 906 2HB PRO 57 1HB PRO 57 16.447 -2.483 -16.977 907 1HG PRO 57 2HG PRO 57 16.374 -3.856 -14.617 908 2HG PRO 57 1HG PRO 57 15.659 -2.255 -14.874 909 1HD PRO 57 2HD PRO 57 14.324 -4.943 -14.917 910 2HD PRO 57 1HD PRO 57 13.766 -3.422 -14.178 911 H LYS 58 H LYS 58 15.629 -4.085 -19.578 912 HA LYS 58 HA LYS 58 14.864 -6.913 -19.573 913 1HB LYS 58 2HB LYS 58 14.175 -4.820 -21.554 914 2HB LYS 58 1HB LYS 58 14.472 -6.446 -22.125 915 1HG LYS 58 2HG LYS 58 12.249 -6.743 -21.667 916 2HG LYS 58 1HG LYS 58 12.818 -6.963 -20.014 917 1HD LYS 58 2HD LYS 58 12.583 -4.394 -19.786 918 2HD LYS 58 1HD LYS 58 11.644 -4.477 -21.274 919 1HE LYS 58 2HE LYS 58 9.971 -4.676 -19.657 920 2HE LYS 58 1HE LYS 58 10.320 -6.370 -20.010 921 1HZ LYS 58 1HZ LYS 58 10.503 -6.419 -17.767 922 2HZ LYS 58 2HZ LYS 58 10.957 -4.787 -17.641 923 3HZ LYS 58 3HZ LYS 58 12.097 -5.954 -18.118 Start of MODEL 19 1 1H VAL 1 1HT VAL 1 11.184 -17.982 4.095 2 2H VAL 1 2HT VAL 1 9.588 -17.463 4.364 3 3H VAL 1 3HT VAL 1 10.570 -17.917 5.674 4 HA VAL 1 HA VAL 1 11.967 -16.044 5.419 5 HB VAL 1 HB VAL 1 11.502 -14.398 3.571 6 1HG1 VAL 1 1HG1 VAL 1 12.183 -17.190 2.589 7 2HG1 VAL 1 2HG1 VAL 1 13.312 -16.126 3.430 8 3HG1 VAL 1 3HG1 VAL 1 12.672 -15.663 1.854 9 1HG2 VAL 1 1HG2 VAL 1 10.165 -15.138 1.646 10 2HG2 VAL 1 2HG2 VAL 1 9.168 -15.142 3.099 11 3HG2 VAL 1 3HG2 VAL 1 9.797 -16.659 2.457 12 H ASP 2 H ASP 2 11.396 -13.892 6.156 13 HA ASP 2 HA ASP 2 8.873 -13.859 7.560 14 1HB ASP 2 2HB ASP 2 10.883 -12.983 8.645 15 2HB ASP 2 1HB ASP 2 11.066 -11.774 7.374 16 H ASN 3 H ASN 3 7.054 -13.253 6.638 17 HA ASN 3 HA ASN 3 7.089 -11.304 4.422 18 1HB ASN 3 2HB ASN 3 4.881 -13.162 5.355 19 2HB ASN 3 1HB ASN 3 4.827 -12.122 3.933 20 1HD2 ASN 3 1HD2 ASN 3 5.049 -15.259 4.500 21 2HD2 ASN 3 2HD2 ASN 3 6.204 -15.735 3.351 22 H LYS 4 H LYS 4 6.905 -11.248 7.666 23 HA LYS 4 HA LYS 4 4.574 -9.814 8.311 24 1HB LYS 4 2HB LYS 4 6.177 -10.869 9.941 25 2HB LYS 4 1HB LYS 4 7.269 -9.515 9.651 26 1HG LYS 4 2HG LYS 4 5.493 -7.935 10.352 27 2HG LYS 4 1HG LYS 4 4.418 -9.298 10.669 28 1HD LYS 4 2HD LYS 4 6.134 -10.170 12.303 29 2HD LYS 4 1HD LYS 4 7.027 -8.664 12.078 30 1HE LYS 4 2HE LYS 4 4.107 -8.656 12.842 31 2HE LYS 4 1HE LYS 4 5.373 -8.779 14.063 32 1HZ LYS 4 1HZ LYS 4 4.505 -6.464 13.374 33 2HZ LYS 4 2HZ LYS 4 5.499 -6.667 12.011 34 3HZ LYS 4 3HZ LYS 4 6.174 -6.690 13.570 35 H PHE 5 H PHE 5 7.808 -8.653 7.356 36 HA PHE 5 HA PHE 5 7.255 -5.916 7.621 37 1HB PHE 5 2HB PHE 5 9.316 -5.517 6.624 38 2HB PHE 5 1HB PHE 5 9.538 -7.134 7.283 39 HD1 PHE 5 1HD PHE 5 9.453 -5.109 4.273 40 HD2 PHE 5 2HD PHE 5 9.228 -9.141 5.744 41 HE1 PHE 5 1HE PHE 5 9.933 -5.967 2.000 42 HE2 PHE 5 2HE PHE 5 9.713 -9.996 3.467 43 HZ PHE 5 HZ PHE 5 10.065 -8.410 1.596 44 H ASN 6 H ASN 6 6.879 -8.158 4.892 45 HA ASN 6 HA ASN 6 6.107 -6.222 2.964 46 1HB ASN 6 2HB ASN 6 6.870 -8.561 2.492 47 2HB ASN 6 1HB ASN 6 5.323 -9.134 3.108 48 1HD2 ASN 6 1HD2 ASN 6 4.764 -9.980 0.985 49 2HD2 ASN 6 2HD2 ASN 6 4.310 -8.942 -0.282 50 H LYS 7 H LYS 7 4.330 -8.341 5.162 51 HA LYS 7 HA LYS 7 1.720 -7.637 4.371 52 1HB LYS 7 2HB LYS 7 2.209 -9.629 5.713 53 2HB LYS 7 1HB LYS 7 2.797 -8.629 7.029 54 1HG LYS 7 2HG LYS 7 0.616 -9.174 7.696 55 2HG LYS 7 1HG LYS 7 0.425 -7.571 7.004 56 1HD LYS 7 2HD LYS 7 -1.331 -8.754 6.021 57 2HD LYS 7 1HD LYS 7 -0.084 -8.865 4.783 58 1HE LYS 7 2HE LYS 7 -1.096 -11.046 5.104 59 2HE LYS 7 1HE LYS 7 0.563 -11.089 5.706 60 1HZ LYS 7 1HZ LYS 7 -1.604 -10.387 7.559 61 2HZ LYS 7 2HZ LYS 7 -0.123 -11.157 7.873 62 3HZ LYS 7 3HZ LYS 7 -1.392 -12.016 7.138 63 H GLU 8 H GLU 8 3.995 -6.359 6.748 64 HA GLU 8 HA GLU 8 2.201 -4.375 7.725 65 1HB GLU 8 2HB GLU 8 4.022 -5.178 9.112 66 2HB GLU 8 1HB GLU 8 5.211 -4.590 7.948 67 1HG GLU 8 2HG GLU 8 4.246 -2.260 8.319 68 2HG GLU 8 1HG GLU 8 3.304 -2.939 9.642 69 H LEU 9 H LEU 9 4.740 -4.444 5.329 70 HA LEU 9 HA LEU 9 4.822 -1.682 4.664 71 1HB LEU 9 2HB LEU 9 6.555 -3.194 3.865 72 2HB LEU 9 1HB LEU 9 5.364 -4.171 3.011 73 HG LEU 9 HG LEU 9 4.798 -1.970 1.733 74 1HD1 LEU 9 1HD1 LEU 9 6.069 -0.166 2.000 75 2HD1 LEU 9 2HD1 LEU 9 7.549 -1.079 1.867 76 3HD1 LEU 9 3HD1 LEU 9 6.765 -0.905 3.442 77 1HD2 LEU 9 1HD2 LEU 9 5.843 -3.865 0.686 78 2HD2 LEU 9 2HD2 LEU 9 7.411 -3.421 1.358 79 3HD2 LEU 9 3HD2 LEU 9 6.638 -2.388 0.151 80 H GLY 10 H GLY 10 2.837 -4.378 3.632 81 1HA GLY 10 2HA GLY 10 1.331 -2.864 1.776 82 2HA GLY 10 1HA GLY 10 0.957 -4.469 2.370 83 H TRP 11 H TRP 11 0.935 -3.956 5.133 84 HA TRP 11 HA TRP 11 -1.651 -2.946 5.282 85 1HB TRP 11 2HB TRP 11 -0.430 -4.674 6.867 86 2HB TRP 11 1HB TRP 11 -0.280 -3.208 7.841 87 HD1 TRP 11 HD TRP 11 -2.146 -3.765 9.556 88 HE1 TRP 11 1HE TRP 11 -4.715 -3.943 9.420 89 HE3 TRP 11 3HE TRP 11 -2.865 -3.777 4.458 90 HZ2 TRP 11 2HZ TRP 11 -6.781 -4.005 7.459 91 HZ3 TRP 11 3HZ TRP 11 -5.084 -3.843 3.498 92 HH2 TRP 11 HH TRP 11 -7.086 -3.981 4.991 93 H ALA 12 H ALA 12 1.302 -1.603 6.570 94 HA ALA 12 HA ALA 12 0.085 0.600 7.718 95 1HB ALA 12 1HB ALA 12 2.422 1.689 7.126 96 2HB ALA 12 2HB ALA 12 2.821 0.043 6.645 97 3HB ALA 12 3HB ALA 12 2.324 0.375 8.300 98 H THR 13 H THR 13 1.101 -0.052 4.404 99 HA THR 13 HA THR 13 0.705 2.455 3.198 100 HB THR 13 HB THR 13 0.446 -0.384 2.278 101 HG1 THR 13 1HG THR 13 2.478 0.003 2.232 102 1HG2 THR 13 1HG2 THR 13 -0.076 2.147 0.728 103 2HG2 THR 13 2HG2 THR 13 -1.077 0.694 0.822 104 3HG2 THR 13 3HG2 THR 13 0.452 0.656 -0.054 105 H TRP 14 H TRP 14 -1.535 -0.230 3.771 106 HA TRP 14 HA TRP 14 -3.858 0.958 2.663 107 1HB TRP 14 2HB TRP 14 -3.403 -1.477 3.299 108 2HB TRP 14 1HB TRP 14 -3.786 -1.010 4.938 109 HD1 TRP 14 HD TRP 14 -6.231 -0.924 5.608 110 HE1 TRP 14 1HE TRP 14 -8.465 -1.264 4.379 111 HE3 TRP 14 3HE TRP 14 -4.619 -0.876 0.730 112 HZ2 TRP 14 2HZ TRP 14 -9.429 -1.500 1.708 113 HZ3 TRP 14 3HZ TRP 14 -6.207 -1.174 -1.083 114 HH2 TRP 14 HH TRP 14 -8.586 -1.490 -0.614 115 H GLU 15 H GLU 15 -2.657 0.720 5.991 116 HA GLU 15 HA GLU 15 -4.824 1.981 7.251 117 1HB GLU 15 2HB GLU 15 -1.911 1.769 8.051 118 2HB GLU 15 1HB GLU 15 -3.208 2.298 9.126 119 1HG GLU 15 2HG GLU 15 -4.333 0.167 8.956 120 2HG GLU 15 1HG GLU 15 -3.271 -0.366 7.657 121 H ILE 16 H ILE 16 -1.891 3.262 5.777 122 HA ILE 16 HA ILE 16 -2.330 6.020 6.519 123 HB ILE 16 HB ILE 16 -0.673 4.729 4.295 124 1HG1 ILE 16 2HG1 ILE 16 0.306 5.951 6.872 125 2HG1 ILE 16 1HG1 ILE 16 -0.064 4.252 6.745 126 1HG2 ILE 16 1HG2 ILE 16 -0.633 6.858 3.488 127 2HG2 ILE 16 2HG2 ILE 16 0.522 7.125 4.786 128 3HG2 ILE 16 3HG2 ILE 16 -1.170 7.558 5.010 129 1HD1 ILE 16 1HD1 ILE 16 1.828 3.817 5.553 130 2HD1 ILE 16 2HD1 ILE 16 2.391 5.360 6.186 131 3HD1 ILE 16 3HD1 ILE 16 1.664 5.278 4.573 132 H PHE 17 H PHE 17 -3.099 3.889 3.845 133 HA PHE 17 HA PHE 17 -4.184 5.713 1.967 134 1HB PHE 17 2HB PHE 17 -3.573 3.096 1.935 135 2HB PHE 17 1HB PHE 17 -5.284 2.948 2.248 136 HD1 PHE 17 1HD PHE 17 -6.896 3.389 0.544 137 HD2 PHE 17 2HD PHE 17 -2.736 4.228 -0.135 138 HE1 PHE 17 1HE PHE 17 -7.336 3.598 -1.882 139 HE2 PHE 17 2HE PHE 17 -3.167 4.443 -2.558 140 HZ PHE 17 HZ PHE 17 -5.466 4.121 -3.425 141 H ASN 18 H ASN 18 -5.507 3.935 4.692 142 HA ASN 18 HA ASN 18 -8.242 4.793 4.211 143 1HB ASN 18 2HB ASN 18 -6.939 3.033 6.291 144 2HB ASN 18 1HB ASN 18 -8.645 3.460 6.341 145 1HD2 ASN 18 1HD2 ASN 18 -6.460 2.470 3.624 146 2HD2 ASN 18 2HD2 ASN 18 -7.476 1.221 3.089 147 H LEU 19 H LEU 19 -5.677 6.442 5.546 148 HA LEU 19 HA LEU 19 -6.881 7.307 7.969 149 1HB LEU 19 2HB LEU 19 -4.502 8.098 6.429 150 2HB LEU 19 1HB LEU 19 -5.200 9.369 7.425 151 HG LEU 19 HG LEU 19 -4.384 6.604 8.402 152 1HD1 LEU 19 1HD1 LEU 19 -2.983 9.076 8.032 153 2HD1 LEU 19 2HD1 LEU 19 -2.366 7.528 8.602 154 3HD1 LEU 19 3HD1 LEU 19 -3.057 8.680 9.731 155 1HD2 LEU 19 1HD2 LEU 19 -4.717 8.594 10.468 156 2HD2 LEU 19 2HD2 LEU 19 -5.526 7.031 10.294 157 3HD2 LEU 19 3HD2 LEU 19 -6.208 8.463 9.539 158 HA PRO 20 HA PRO 20 -9.803 10.010 6.012 159 1HB PRO 20 2HB PRO 20 -10.566 11.072 8.590 160 2HB PRO 20 1HB PRO 20 -11.405 9.867 7.602 161 1HG PRO 20 2HG PRO 20 -10.239 9.349 10.004 162 2HG PRO 20 1HG PRO 20 -10.476 8.135 8.734 163 1HD PRO 20 2HD PRO 20 -8.002 9.693 9.407 164 2HD PRO 20 1HD PRO 20 -8.172 7.974 9.017 165 H ASN 21 H ASN 21 -6.884 11.258 6.890 166 HA ASN 21 HA ASN 21 -7.923 14.001 6.397 167 1HB ASN 21 2HB ASN 21 -6.169 13.332 8.753 168 2HB ASN 21 1HB ASN 21 -6.574 14.955 8.229 169 1HD2 ASN 21 1HD2 ASN 21 -7.726 12.198 10.011 170 2HD2 ASN 21 2HD2 ASN 21 -9.242 12.843 10.414 171 H LEU 22 H LEU 22 -5.633 11.715 5.622 172 HA LEU 22 HA LEU 22 -3.444 13.543 5.116 173 1HB LEU 22 2HB LEU 22 -3.884 10.711 4.172 174 2HB LEU 22 1HB LEU 22 -2.382 11.625 4.017 175 HG LEU 22 HG LEU 22 -3.759 10.929 6.630 176 1HD1 LEU 22 1HD1 LEU 22 -1.545 9.720 5.039 177 2HD1 LEU 22 2HD1 LEU 22 -2.783 8.948 6.022 178 3HD1 LEU 22 3HD1 LEU 22 -1.405 9.731 6.796 179 1HD2 LEU 22 1HD2 LEU 22 -1.319 11.672 7.373 180 2HD2 LEU 22 2HD2 LEU 22 -2.601 12.866 7.179 181 3HD2 LEU 22 3HD2 LEU 22 -1.404 12.630 5.898 182 H ASN 23 H ASN 23 -2.635 14.179 3.087 183 HA ASN 23 HA ASN 23 -4.752 14.446 1.067 184 1HB ASN 23 2HB ASN 23 -3.791 16.411 0.444 185 2HB ASN 23 1HB ASN 23 -3.104 16.338 2.059 186 1HD2 ASN 23 1HD2 ASN 23 -2.337 16.566 -1.254 187 2HD2 ASN 23 2HD2 ASN 23 -0.674 16.276 -1.129 188 H GLY 24 H GLY 24 -4.125 14.165 -1.220 189 1HA GLY 24 2HA GLY 24 -3.380 11.612 -1.837 190 2HA GLY 24 1HA GLY 24 -3.224 12.953 -2.963 191 H VAL 25 H VAL 25 -1.180 14.421 -1.681 192 HA VAL 25 HA VAL 25 1.102 12.954 -2.568 193 HB VAL 25 HB VAL 25 0.911 15.583 -1.104 194 1HG1 VAL 25 1HG1 VAL 25 3.218 14.049 -2.305 195 2HG1 VAL 25 2HG1 VAL 25 3.132 14.847 -0.733 196 3HG1 VAL 25 3HG1 VAL 25 3.261 15.811 -2.203 197 1HG2 VAL 25 1HG2 VAL 25 -0.128 15.763 -3.249 198 2HG2 VAL 25 2HG2 VAL 25 1.081 14.717 -4.000 199 3HG2 VAL 25 3HG2 VAL 25 1.517 16.354 -3.497 200 H GLN 26 H GLN 26 -0.006 13.913 0.728 201 HA GLN 26 HA GLN 26 2.252 12.888 2.037 202 1HB GLN 26 2HB GLN 26 -0.455 13.726 2.818 203 2HB GLN 26 1HB GLN 26 0.307 12.559 3.898 204 1HG GLN 26 2HG GLN 26 1.989 14.005 4.526 205 2HG GLN 26 1HG GLN 26 2.022 14.814 2.954 206 1HE2 GLN 26 1HE2 GLN 26 -0.127 14.419 5.773 207 2HE2 GLN 26 2HE2 GLN 26 -0.736 16.000 5.726 208 H VAL 27 H VAL 27 -0.804 11.340 1.132 209 HA VAL 27 HA VAL 27 -0.258 8.836 2.362 210 HB VAL 27 HB VAL 27 -1.929 9.420 -0.106 211 1HG1 VAL 27 1HG1 VAL 27 -3.075 7.265 0.670 212 2HG1 VAL 27 2HG1 VAL 27 -1.673 7.010 1.711 213 3HG1 VAL 27 3HG1 VAL 27 -1.472 7.066 -0.041 214 1HG2 VAL 27 1HG2 VAL 27 -2.756 9.090 2.800 215 2HG2 VAL 27 2HG2 VAL 27 -3.817 9.469 1.445 216 3HG2 VAL 27 3HG2 VAL 27 -2.618 10.642 1.977 217 H LYS 28 H LYS 28 0.352 10.113 -0.877 218 HA LYS 28 HA LYS 28 1.600 7.825 -1.976 219 1HB LYS 28 2HB LYS 28 1.741 10.779 -2.654 220 2HB LYS 28 1HB LYS 28 2.630 9.557 -3.565 221 1HG LYS 28 2HG LYS 28 0.608 8.443 -4.223 222 2HG LYS 28 1HG LYS 28 -0.363 9.406 -3.115 223 1HD LYS 28 2HD LYS 28 0.348 11.458 -4.412 224 2HD LYS 28 1HD LYS 28 1.104 10.376 -5.585 225 1HE LYS 28 2HE LYS 28 -1.071 9.268 -5.951 226 2HE LYS 28 1HE LYS 28 -1.827 10.374 -4.807 227 1HZ LYS 28 1HZ LYS 28 -0.319 11.367 -7.147 228 2HZ LYS 28 2HZ LYS 28 -1.469 12.186 -6.201 229 3HZ LYS 28 3HZ LYS 28 -1.961 10.957 -7.265 230 H ALA 29 H ALA 29 2.785 10.491 -0.041 231 HA ALA 29 HA ALA 29 5.552 10.016 -0.356 232 1HB ALA 29 1HB ALA 29 4.213 11.319 1.993 233 2HB ALA 29 2HB ALA 29 4.472 12.152 0.458 234 3HB ALA 29 3HB ALA 29 5.851 11.583 1.399 235 H PHE 30 H PHE 30 3.159 9.106 2.066 236 HA PHE 30 HA PHE 30 4.956 7.798 3.763 237 1HB PHE 30 2HB PHE 30 1.992 7.405 3.364 238 2HB PHE 30 1HB PHE 30 2.938 6.723 4.685 239 HD1 PHE 30 1HD PHE 30 0.621 9.133 4.241 240 HD2 PHE 30 2HD PHE 30 4.733 8.849 5.538 241 HE1 PHE 30 1HE PHE 30 0.376 11.212 5.534 242 HE2 PHE 30 2HE PHE 30 4.455 10.945 6.800 243 HZ PHE 30 HZ PHE 30 2.286 12.108 6.797 244 H ILE 31 H ILE 31 3.048 6.901 0.957 245 HA ILE 31 HA ILE 31 3.653 4.137 0.989 246 HB ILE 31 HB ILE 31 2.711 6.038 -1.143 247 1HG1 ILE 31 2HG1 ILE 31 1.526 3.497 0.029 248 2HG1 ILE 31 1HG1 ILE 31 1.119 5.127 0.551 249 1HG2 ILE 31 1HG2 ILE 31 2.492 3.783 -2.526 250 2HG2 ILE 31 2HG2 ILE 31 3.860 3.280 -1.540 251 3HG2 ILE 31 3HG2 ILE 31 3.992 4.703 -2.568 252 1HD1 ILE 31 1HD1 ILE 31 -0.535 4.178 -1.057 253 2HD1 ILE 31 2HD1 ILE 31 0.744 4.087 -2.268 254 3HD1 ILE 31 3HD1 ILE 31 0.227 5.656 -1.650 255 H ASP 32 H ASP 32 5.114 6.927 -0.565 256 HA ASP 32 HA ASP 32 7.156 5.509 -1.875 257 1HB ASP 32 2HB ASP 32 6.923 8.397 -0.998 258 2HB ASP 32 1HB ASP 32 8.277 7.800 -1.962 259 H SER 33 H SER 33 6.990 6.914 1.309 260 HA SER 33 HA SER 33 9.718 6.493 2.033 261 1HB SER 33 2HB SER 33 7.229 6.722 3.753 262 2HB SER 33 1HB SER 33 8.892 6.806 4.338 263 HG SER 33 HG SER 33 7.693 8.523 2.417 264 H LEU 34 H LEU 34 6.750 4.692 2.231 265 HA LEU 34 HA LEU 34 7.516 2.360 3.683 266 1HB LEU 34 2HB LEU 34 5.371 3.311 1.896 267 2HB LEU 34 1HB LEU 34 5.653 1.603 1.816 268 HG LEU 34 HG LEU 34 5.615 2.529 4.548 269 1HD1 LEU 34 1HD1 LEU 34 3.413 3.322 2.717 270 2HD1 LEU 34 2HD1 LEU 34 3.958 4.090 4.204 271 3HD1 LEU 34 3HD1 LEU 34 2.956 2.645 4.274 272 1HD2 LEU 34 1HD2 LEU 34 4.255 0.481 2.844 273 2HD2 LEU 34 2HD2 LEU 34 3.785 0.718 4.530 274 3HD2 LEU 34 3HD2 LEU 34 5.424 0.258 4.120 275 H ARG 35 H ARG 35 7.330 3.049 0.242 276 HA ARG 35 HA ARG 35 8.424 0.670 -0.780 277 1HB ARG 35 2HB ARG 35 8.486 3.494 -1.863 278 2HB ARG 35 1HB ARG 35 8.898 2.060 -2.802 279 1HG ARG 35 2HG ARG 35 6.669 1.182 -2.551 280 2HG ARG 35 1HG ARG 35 6.259 2.438 -1.418 281 1HD ARG 35 2HD ARG 35 5.289 3.084 -3.499 282 2HD ARG 35 1HD ARG 35 6.674 4.131 -3.223 283 HE ARG 35 HE ARG 35 7.669 3.197 -5.070 284 1HH1 ARG 35 1HH1 ARG 35 5.442 0.924 -3.757 285 2HH1 ARG 35 2HH1 ARG 35 5.410 -0.069 -5.182 286 1HH2 ARG 35 1HH2 ARG 35 7.438 2.064 -7.019 287 2HH2 ARG 35 2HH2 ARG 35 6.557 0.575 -7.022 288 H ASP 36 H ASP 36 9.936 3.745 0.097 289 HA ASP 36 HA ASP 36 12.578 3.099 -0.675 290 1HB ASP 36 2HB ASP 36 11.722 5.401 -0.325 291 2HB ASP 36 1HB ASP 36 11.682 5.064 1.394 292 H ASP 37 H ASP 37 10.782 2.797 2.323 293 HA ASP 37 HA ASP 37 12.737 0.879 3.310 294 1HB ASP 37 2HB ASP 37 13.379 3.229 4.121 295 2HB ASP 37 1HB ASP 37 11.918 3.166 5.101 296 HA PRO 38 HA PRO 38 8.547 -0.534 4.168 297 1HB PRO 38 2HB PRO 38 9.584 -3.197 4.069 298 2HB PRO 38 1HB PRO 38 8.510 -2.395 2.938 299 1HG PRO 38 2HG PRO 38 11.126 -3.144 2.451 300 2HG PRO 38 1HG PRO 38 10.166 -2.014 1.487 301 1HD PRO 38 2HD PRO 38 12.323 -1.451 3.434 302 2HD PRO 38 1HD PRO 38 11.744 -0.476 2.065 303 H SER 39 H SER 39 11.564 -1.287 5.687 304 HA SER 39 HA SER 39 10.547 -2.675 7.959 305 1HB SER 39 2HB SER 39 13.035 -0.945 7.913 306 2HB SER 39 1HB SER 39 12.696 -2.322 8.954 307 HG SER 39 HG SER 39 13.233 -2.270 6.178 308 H GLN 40 H GLN 40 10.633 0.583 6.902 309 HA GLN 40 HA GLN 40 10.018 1.734 9.513 310 1HB GLN 40 2HB GLN 40 11.384 2.633 7.216 311 2HB GLN 40 1HB GLN 40 9.924 3.606 7.313 312 1HG GLN 40 2HG GLN 40 11.445 4.805 8.631 313 2HG GLN 40 1HG GLN 40 10.539 3.881 9.824 314 1HE2 GLN 40 1HE2 GLN 40 13.397 3.226 7.695 315 2HE2 GLN 40 2HE2 GLN 40 14.333 2.541 8.933 316 H SER 41 H SER 41 8.191 0.274 7.178 317 HA SER 41 HA SER 41 6.171 1.930 6.393 318 1HB SER 41 2HB SER 41 5.740 -0.872 7.442 319 2HB SER 41 1HB SER 41 4.767 -0.024 6.253 320 HG SER 41 HG SER 41 7.025 -1.431 5.932 321 H ALA 42 H ALA 42 6.406 0.339 9.572 322 HA ALA 42 HA ALA 42 3.858 1.103 10.541 323 1HB ALA 42 1HB ALA 42 5.148 -0.635 11.634 324 2HB ALA 42 2HB ALA 42 4.890 0.685 12.774 325 3HB ALA 42 3HB ALA 42 6.450 0.506 11.969 326 H ASN 43 H ASN 43 6.993 2.609 10.457 327 HA ASN 43 HA ASN 43 6.507 4.755 12.212 328 1HB ASN 43 2HB ASN 43 8.702 3.772 11.365 329 2HB ASN 43 1HB ASN 43 8.427 4.708 9.906 330 1HD2 ASN 43 1HD2 ASN 43 10.693 5.383 11.248 331 2HD2 ASN 43 2HD2 ASN 43 10.505 6.841 12.098 332 H LEU 44 H LEU 44 6.109 4.231 8.828 333 HA LEU 44 HA LEU 44 5.585 6.936 8.042 334 1HB LEU 44 2HB LEU 44 5.051 4.299 6.632 335 2HB LEU 44 1HB LEU 44 5.185 5.899 5.874 336 HG LEU 44 HG LEU 44 7.364 4.741 7.603 337 1HD1 LEU 44 1HD1 LEU 44 8.464 4.603 5.195 338 2HD1 LEU 44 2HD1 LEU 44 6.790 4.228 4.780 339 3HD1 LEU 44 3HD1 LEU 44 7.647 3.254 5.977 340 1HD2 LEU 44 1HD2 LEU 44 8.679 6.467 6.332 341 2HD2 LEU 44 2HD2 LEU 44 7.497 7.052 7.506 342 3HD2 LEU 44 3HD2 LEU 44 7.119 7.085 5.785 343 H LEU 45 H LEU 45 3.887 4.137 8.924 344 HA LEU 45 HA LEU 45 1.220 5.080 8.482 345 1HB LEU 45 2HB LEU 45 1.460 2.733 8.702 346 2HB LEU 45 1HB LEU 45 2.457 2.883 10.140 347 HG LEU 45 HG LEU 45 0.523 3.706 11.414 348 1HD1 LEU 45 1HD1 LEU 45 -0.824 4.860 9.877 349 2HD1 LEU 45 2HD1 LEU 45 -1.755 3.398 10.192 350 3HD1 LEU 45 3HD1 LEU 45 -0.804 3.535 8.715 351 1HD2 LEU 45 1HD2 LEU 45 0.103 1.138 9.862 352 2HD2 LEU 45 2HD2 LEU 45 -0.838 1.587 11.286 353 3HD2 LEU 45 3HD2 LEU 45 0.902 1.330 11.423 354 H ALA 46 H ALA 46 3.598 5.147 11.005 355 HA ALA 46 HA ALA 46 2.080 6.284 13.086 356 1HB ALA 46 1HB ALA 46 4.533 5.233 13.009 357 2HB ALA 46 2HB ALA 46 4.096 6.428 14.228 358 3HB ALA 46 3HB ALA 46 4.979 6.923 12.780 359 H GLU 47 H GLU 47 4.192 7.565 10.637 360 HA GLU 47 HA GLU 47 4.045 10.291 11.274 361 1HB GLU 47 2HB GLU 47 4.719 8.672 8.852 362 2HB GLU 47 1HB GLU 47 4.637 10.429 8.739 363 1HG GLU 47 2HG GLU 47 6.481 8.748 10.433 364 2HG GLU 47 1HG GLU 47 6.906 9.849 9.127 365 H ALA 48 H ALA 48 2.185 8.149 9.240 366 HA ALA 48 HA ALA 48 0.627 10.125 7.983 367 1HB ALA 48 1HB ALA 48 0.800 8.004 6.980 368 2HB ALA 48 2HB ALA 48 -0.849 8.088 7.571 369 3HB ALA 48 3HB ALA 48 0.360 7.176 8.469 370 H LYS 49 H LYS 49 0.117 8.028 10.814 371 HA LYS 49 HA LYS 49 -2.450 9.003 11.494 372 1HB LYS 49 2HB LYS 49 -0.242 7.765 13.140 373 2HB LYS 49 1HB LYS 49 -1.795 8.239 13.833 374 1HG LYS 49 2HG LYS 49 -2.964 6.802 12.196 375 2HG LYS 49 1HG LYS 49 -1.413 6.309 11.524 376 1HD LYS 49 2HD LYS 49 -0.765 5.359 13.713 377 2HD LYS 49 1HD LYS 49 -2.324 5.846 14.381 378 1HE LYS 49 2HE LYS 49 -3.411 4.106 13.413 379 2HE LYS 49 1HE LYS 49 -2.559 4.314 11.884 380 1HZ LYS 49 1HZ LYS 49 -0.617 3.241 12.901 381 2HZ LYS 49 2HZ LYS 49 -1.970 2.216 12.868 382 3HZ LYS 49 3HZ LYS 49 -1.508 2.973 14.318 383 H LYS 50 H LYS 50 0.796 10.209 11.956 384 HA LYS 50 HA LYS 50 0.085 12.223 13.829 385 1HB LYS 50 2HB LYS 50 2.378 11.231 13.565 386 2HB LYS 50 1HB LYS 50 2.500 12.063 12.022 387 1HG LYS 50 2HG LYS 50 1.894 14.197 13.456 388 2HG LYS 50 1HG LYS 50 2.488 13.211 14.793 389 1HD LYS 50 2HD LYS 50 4.042 13.652 12.231 390 2HD LYS 50 1HD LYS 50 4.253 14.649 13.668 391 1HE LYS 50 2HE LYS 50 4.650 11.639 13.552 392 2HE LYS 50 1HE LYS 50 5.943 12.836 13.556 393 1HZ LYS 50 1HZ LYS 50 5.746 12.221 15.767 394 2HZ LYS 50 2HZ LYS 50 4.049 12.160 15.716 395 3HZ LYS 50 3HZ LYS 50 4.849 13.658 15.696 396 H LEU 51 H LEU 51 0.602 12.064 10.374 397 HA LEU 51 HA LEU 51 0.170 14.825 9.908 398 1HB LEU 51 2HB LEU 51 0.483 12.398 8.225 399 2HB LEU 51 1HB LEU 51 -0.384 13.750 7.505 400 HG LEU 51 HG LEU 51 1.931 13.996 6.945 401 1HD1 LEU 51 1HD1 LEU 51 1.793 15.964 9.170 402 2HD1 LEU 51 2HD1 LEU 51 0.493 15.988 7.978 403 3HD1 LEU 51 3HD1 LEU 51 2.164 16.211 7.464 404 1HD2 LEU 51 1HD2 LEU 51 3.164 12.724 8.473 405 2HD2 LEU 51 2HD2 LEU 51 2.361 13.441 9.869 406 3HD2 LEU 51 3HD2 LEU 51 3.561 14.367 8.966 407 H ASN 52 H ASN 52 -1.812 11.956 9.809 408 HA ASN 52 HA ASN 52 -4.171 13.079 8.801 409 1HB ASN 52 2HB ASN 52 -3.785 10.682 8.917 410 2HB ASN 52 1HB ASN 52 -3.728 10.745 10.674 411 1HD2 ASN 52 1HD2 ASN 52 -5.754 11.018 11.821 412 2HD2 ASN 52 2HD2 ASN 52 -7.249 10.870 11.029 413 H ASP 53 H ASP 53 -2.955 12.510 12.078 414 HA ASP 53 HA ASP 53 -5.179 13.579 13.426 415 1HB ASP 53 2HB ASP 53 -2.313 13.198 14.269 416 2HB ASP 53 1HB ASP 53 -3.549 13.816 15.361 417 H ALA 54 H ALA 54 -2.176 14.976 12.269 418 HA ALA 54 HA ALA 54 -2.484 17.547 13.388 419 1HB ALA 54 1HB ALA 54 -0.324 16.873 12.584 420 2HB ALA 54 2HB ALA 54 -0.865 18.205 11.560 421 3HB ALA 54 3HB ALA 54 -0.968 16.543 10.976 422 H GLN 55 H GLN 55 -3.510 16.045 10.365 423 HA GLN 55 HA GLN 55 -4.687 18.494 9.332 424 1HB GLN 55 2HB GLN 55 -4.515 15.643 8.372 425 2HB GLN 55 1HB GLN 55 -5.482 16.861 7.525 426 1HG GLN 55 2HG GLN 55 -3.556 18.233 7.115 427 2HG GLN 55 1HG GLN 55 -2.560 17.281 8.213 428 1HE2 GLN 55 1HE2 GLN 55 -2.376 14.871 7.547 429 2HE2 GLN 55 2HE2 GLN 55 -2.208 14.558 5.889 430 H ALA 56 H ALA 56 -5.610 16.207 11.579 431 HA ALA 56 HA ALA 56 -8.434 16.083 10.924 432 1HB ALA 56 1HB ALA 56 -6.996 15.269 13.466 433 2HB ALA 56 2HB ALA 56 -7.316 14.207 12.098 434 3HB ALA 56 3HB ALA 56 -8.655 14.863 13.035 435 HA PRO 57 HA PRO 57 -9.719 19.605 13.181 436 1HB PRO 57 2HB PRO 57 -12.189 18.379 14.041 437 2HB PRO 57 1HB PRO 57 -11.919 19.435 12.647 438 1HG PRO 57 2HG PRO 57 -12.615 16.819 12.456 439 2HG PRO 57 1HG PRO 57 -11.688 17.687 11.217 440 1HD PRO 57 2HD PRO 57 -10.676 15.925 13.428 441 2HD PRO 57 1HD PRO 57 -10.232 15.916 11.700 442 H LYS 58 H LYS 58 -10.513 20.414 15.271 443 HA LYS 58 HA LYS 58 -10.024 18.677 17.585 444 1HB LYS 58 2HB LYS 58 -8.610 21.235 16.975 445 2HB LYS 58 1HB LYS 58 -8.732 20.624 18.615 446 1HG LYS 58 2HG LYS 58 -6.793 19.538 18.084 447 2HG LYS 58 1HG LYS 58 -7.877 18.381 17.316 448 1HD LYS 58 2HD LYS 58 -7.668 19.792 15.190 449 2HD LYS 58 1HD LYS 58 -6.364 20.655 16.001 450 1HE LYS 58 2HE LYS 58 -5.357 18.905 14.679 451 2HE LYS 58 1HE LYS 58 -5.231 18.423 16.370 452 1HZ LYS 58 1HZ LYS 58 -7.615 17.596 14.890 453 2HZ LYS 58 2HZ LYS 58 -6.765 16.788 16.120 454 3HZ LYS 58 3HZ LYS 58 -6.158 16.804 14.532 455 1H VAL 1 1HT VAL 1 -13.265 -6.765 7.522 456 2H VAL 1 2HT VAL 1 -13.956 -6.103 6.118 457 3H VAL 1 3HT VAL 1 -12.904 -7.432 6.005 458 HA VAL 1 HA VAL 1 -14.454 -8.859 7.090 459 HB VAL 1 HB VAL 1 -15.300 -7.044 8.617 460 1HG1 VAL 1 1HG1 VAL 1 -17.050 -5.550 7.877 461 2HG1 VAL 1 2HG1 VAL 1 -17.103 -6.312 6.287 462 3HG1 VAL 1 3HG1 VAL 1 -15.691 -5.371 6.768 463 1HG2 VAL 1 1HG2 VAL 1 -17.427 -8.043 8.934 464 2HG2 VAL 1 2HG2 VAL 1 -16.468 -9.310 8.172 465 3HG2 VAL 1 3HG2 VAL 1 -17.623 -8.383 7.214 466 H ASP 2 H ASP 2 -14.323 -6.672 4.539 467 HA ASP 2 HA ASP 2 -16.607 -7.225 3.014 468 1HB ASP 2 2HB ASP 2 -15.183 -6.538 1.069 469 2HB ASP 2 1HB ASP 2 -15.140 -5.407 2.419 470 H ASN 3 H ASN 3 -13.478 -8.893 3.115 471 HA ASN 3 HA ASN 3 -14.669 -11.350 2.171 472 1HB ASN 3 2HB ASN 3 -12.411 -10.030 0.634 473 2HB ASN 3 1HB ASN 3 -13.048 -11.642 0.330 474 1HD2 ASN 3 1HD2 ASN 3 -15.551 -11.639 -0.135 475 2HD2 ASN 3 2HD2 ASN 3 -16.121 -10.370 -1.107 476 H LYS 4 H LYS 4 -12.902 -13.118 2.106 477 HA LYS 4 HA LYS 4 -11.409 -12.965 4.563 478 1HB LYS 4 2HB LYS 4 -10.599 -15.239 3.962 479 2HB LYS 4 1HB LYS 4 -12.354 -15.114 3.933 480 1HG LYS 4 2HG LYS 4 -12.411 -15.718 1.767 481 2HG LYS 4 1HG LYS 4 -11.323 -14.411 1.337 482 1HD LYS 4 2HD LYS 4 -10.244 -16.936 2.579 483 2HD LYS 4 1HD LYS 4 -10.585 -16.866 0.854 484 1HE LYS 4 2HE LYS 4 -8.452 -16.078 0.701 485 2HE LYS 4 1HE LYS 4 -9.169 -14.546 1.185 486 1HZ LYS 4 1HZ LYS 4 -7.185 -15.391 2.503 487 2HZ LYS 4 2HZ LYS 4 -8.256 -16.521 3.183 488 3HZ LYS 4 3HZ LYS 4 -8.531 -14.856 3.386 489 H PHE 5 H PHE 5 -10.923 -11.937 1.452 490 HA PHE 5 HA PHE 5 -8.116 -12.325 1.203 491 1HB PHE 5 2HB PHE 5 -10.167 -10.731 -0.317 492 2HB PHE 5 1HB PHE 5 -8.444 -10.628 -0.698 493 HD1 PHE 5 1HD PHE 5 -11.178 -13.095 -0.106 494 HD2 PHE 5 2HD PHE 5 -7.442 -12.259 -2.055 495 HE1 PHE 5 1HE PHE 5 -11.303 -15.275 -1.299 496 HE2 PHE 5 2HE PHE 5 -7.563 -14.430 -3.239 497 HZ PHE 5 HZ PHE 5 -9.482 -15.940 -2.848 498 H ASN 6 H ASN 6 -9.570 -10.546 3.452 499 HA ASN 6 HA ASN 6 -8.392 -7.961 3.163 500 1HB ASN 6 2HB ASN 6 -9.129 -9.508 5.669 501 2HB ASN 6 1HB ASN 6 -8.703 -7.797 5.628 502 1HD2 ASN 6 1HD2 ASN 6 -10.290 -8.374 2.747 503 2HD2 ASN 6 2HD2 ASN 6 -11.871 -7.972 3.225 504 H LYS 7 H LYS 7 -7.330 -10.957 4.697 505 HA LYS 7 HA LYS 7 -4.764 -10.052 5.534 506 1HB LYS 7 2HB LYS 7 -5.709 -12.092 6.457 507 2HB LYS 7 1HB LYS 7 -5.840 -12.809 4.851 508 1HG LYS 7 2HG LYS 7 -3.349 -12.694 4.638 509 2HG LYS 7 1HG LYS 7 -3.265 -12.092 6.295 510 1HD LYS 7 2HD LYS 7 -4.207 -14.140 7.162 511 2HD LYS 7 1HD LYS 7 -4.578 -14.719 5.538 512 1HE LYS 7 2HE LYS 7 -1.759 -14.117 6.475 513 2HE LYS 7 1HE LYS 7 -2.488 -15.720 6.570 514 1HZ LYS 7 1HZ LYS 7 -1.857 -16.011 4.478 515 2HZ LYS 7 2HZ LYS 7 -1.374 -14.390 4.320 516 3HZ LYS 7 3HZ LYS 7 -2.985 -14.833 4.011 517 H GLU 8 H GLU 8 -6.002 -11.683 2.666 518 HA GLU 8 HA GLU 8 -3.557 -11.988 1.278 519 1HB GLU 8 2HB GLU 8 -6.381 -11.755 0.167 520 2HB GLU 8 1HB GLU 8 -4.990 -12.444 -0.670 521 1HG GLU 8 2HG GLU 8 -6.381 -13.524 1.797 522 2HG GLU 8 1HG GLU 8 -6.271 -14.288 0.211 523 H ARG 9 H ARG 9 -5.930 -9.398 1.416 524 HA ARG 9 HA ARG 9 -5.028 -7.881 -0.780 525 1HB ARG 9 2HB ARG 9 -7.236 -7.563 0.198 526 2HB ARG 9 1HB ARG 9 -6.520 -7.066 1.730 527 1HG ARG 9 2HG ARG 9 -5.608 -5.075 0.754 528 2HG ARG 9 1HG ARG 9 -5.995 -5.620 -0.875 529 1HD ARG 9 2HD ARG 9 -7.648 -3.971 -0.146 530 2HD ARG 9 1HD ARG 9 -8.413 -5.548 -0.300 531 HE ARG 9 HE ARG 9 -7.441 -4.703 2.352 532 1HH1 ARG 9 1HH2 ARG 9 -9.440 -6.967 1.331 533 2HH1 ARG 9 2HH2 ARG 9 -10.903 -6.381 2.049 534 1HH2 ARG 9 1HH1 ARG 9 -9.599 -3.262 2.794 535 2HH2 ARG 9 2HH1 ARG 9 -10.992 -4.288 2.877 536 H VAL 10 H VAL 10 -4.277 -7.867 2.684 537 HA VAL 10 HA VAL 10 -2.642 -5.590 2.810 538 HB VAL 10 HB VAL 10 -2.263 -8.130 4.367 539 1HG1 VAL 10 1HG1 VAL 10 -1.337 -5.323 4.700 540 2HG1 VAL 10 2HG1 VAL 10 -0.475 -6.837 4.969 541 3HG1 VAL 10 3HG1 VAL 10 -1.669 -6.280 6.145 542 1HG2 VAL 10 1HG2 VAL 10 -4.278 -7.859 5.295 543 2HG2 VAL 10 2HG2 VAL 10 -4.577 -6.441 4.297 544 3HG2 VAL 10 3HG2 VAL 10 -3.792 -6.266 5.875 545 H ILE 11 H ILE 11 -1.935 -8.941 1.983 546 HA ILE 11 HA ILE 11 0.891 -8.647 1.796 547 HB ILE 11 HB ILE 11 -0.825 -10.683 0.357 548 1HG1 ILE 11 2HG1 ILE 11 -0.874 -10.226 3.102 549 2HG1 ILE 11 1HG1 ILE 11 -1.276 -11.749 2.320 550 1HG2 ILE 11 1HG2 ILE 11 1.238 -12.075 0.646 551 2HG2 ILE 11 2HG2 ILE 11 2.054 -10.663 1.320 552 3HG2 ILE 11 3HG2 ILE 11 1.504 -10.648 -0.358 553 1HD1 ILE 11 1HD1 ILE 11 1.361 -10.938 3.578 554 2HD1 ILE 11 2HD1 ILE 11 1.213 -12.352 2.528 555 3HD1 ILE 11 3HD1 ILE 11 0.306 -12.278 4.029 556 H ALA 12 H ALA 12 -1.783 -8.346 -0.534 557 HA ALA 12 HA ALA 12 -0.185 -8.022 -2.868 558 1HB ALA 12 1HB ALA 12 -2.987 -7.130 -2.156 559 2HB ALA 12 2HB ALA 12 -2.531 -8.525 -3.127 560 3HB ALA 12 3HB ALA 12 -2.270 -6.893 -3.747 561 H ILE 13 H ILE 13 -1.633 -5.743 -0.581 562 HA ILE 13 HA ILE 13 -0.750 -3.381 -1.826 563 HB ILE 13 HB ILE 13 -1.103 -3.967 1.144 564 1HG1 ILE 13 2HG1 ILE 13 -3.015 -2.605 -0.722 565 2HG1 ILE 13 1HG1 ILE 13 -3.052 -4.346 -0.491 566 1HG2 ILE 13 1HG2 ILE 13 -0.983 -1.372 -0.408 567 2HG2 ILE 13 2HG2 ILE 13 0.085 -1.875 0.892 568 3HG2 ILE 13 3HG2 ILE 13 -1.608 -1.503 1.237 569 1HD1 ILE 13 1HD1 ILE 13 -3.383 -2.246 1.630 570 2HD1 ILE 13 2HD1 ILE 13 -3.348 -3.974 1.944 571 3HD1 ILE 13 3HD1 ILE 13 -4.660 -3.273 0.992 572 H GLY 14 H GLY 14 0.714 -5.531 0.556 573 1HA GLY 14 2HA GLY 14 3.160 -4.200 0.922 574 2HA GLY 14 1HA GLY 14 2.903 -5.932 1.109 575 H GLU 15 H GLU 15 2.132 -6.560 -1.526 576 HA GLU 15 HA GLU 15 4.665 -6.864 -2.738 577 1HB GLU 15 2HB GLU 15 2.506 -8.294 -2.949 578 2HB GLU 15 1HB GLU 15 2.098 -7.185 -4.232 579 1HG GLU 15 2HG GLU 15 3.602 -8.126 -5.670 580 2HG GLU 15 1HG GLU 15 4.859 -8.119 -4.432 581 H ILE 16 H ILE 16 1.849 -4.757 -3.447 582 HA ILE 16 HA ILE 16 2.926 -3.604 -5.806 583 HB ILE 16 HB ILE 16 1.585 -1.747 -3.829 584 1HG1 ILE 16 2HG1 ILE 16 0.238 -3.864 -3.806 585 2HG1 ILE 16 1HG1 ILE 16 -0.628 -2.466 -4.385 586 1HG2 ILE 16 1HG2 ILE 16 1.376 -2.095 -6.831 587 2HG2 ILE 16 2HG2 ILE 16 2.314 -0.873 -5.985 588 3HG2 ILE 16 3HG2 ILE 16 0.558 -0.857 -5.885 589 1HD1 ILE 16 1HD1 ILE 16 0.711 -4.493 -6.170 590 2HD1 ILE 16 2HD1 ILE 16 -0.300 -3.132 -6.675 591 3HD1 ILE 16 3HD1 ILE 16 -1.010 -4.479 -5.781 592 H MET 17 H MET 17 3.159 -2.576 -2.468 593 HA MET 17 HA MET 17 4.883 -0.377 -2.737 594 1HB MET 17 2HB MET 17 4.543 -2.228 -0.392 595 2HB MET 17 1HB MET 17 5.129 -0.558 -0.363 596 1HG MET 17 2HG MET 17 2.403 -1.314 -1.433 597 2HG MET 17 1HG MET 17 2.667 -0.828 0.230 598 1HE MET 17 1HE MET 17 4.820 2.023 -0.268 599 2HE MET 17 2HE MET 17 4.106 0.788 0.781 600 3HE MET 17 3HE MET 17 3.303 2.351 0.581 601 H ARG 18 H ARG 18 5.567 -3.845 -2.428 602 HA ARG 18 HA ARG 18 8.358 -3.592 -1.971 603 1HB ARG 18 2HB ARG 18 6.690 -5.814 -3.055 604 2HB ARG 18 1HB ARG 18 8.425 -5.957 -2.891 605 1HG ARG 18 2HG ARG 18 7.427 -4.922 -0.433 606 2HG ARG 18 1HG ARG 18 6.405 -6.274 -0.886 607 1HD ARG 18 2HD ARG 18 9.424 -6.359 -0.729 608 2HD ARG 18 1HD ARG 18 8.326 -6.998 0.490 609 HE ARG 18 HE ARG 18 9.069 -8.289 -1.946 610 1HH1 ARG 18 1HH2 ARG 18 8.166 -9.856 0.383 611 2HH1 ARG 18 2HH2 ARG 18 6.595 -10.411 -0.092 612 1HH2 ARG 18 1HH1 ARG 18 6.267 -8.096 -2.650 613 2HH2 ARG 18 2HH1 ARG 18 5.519 -9.414 -1.811 614 H LEU 19 H LEU 19 6.364 -3.755 -4.875 615 HA LEU 19 HA LEU 19 8.393 -4.117 -6.791 616 1HB LEU 19 2HB LEU 19 5.802 -2.600 -7.046 617 2HB LEU 19 1HB LEU 19 6.810 -3.072 -8.380 618 HG LEU 19 HG LEU 19 5.578 -5.021 -6.434 619 1HD1 LEU 19 1HD1 LEU 19 4.679 -4.188 -9.199 620 2HD1 LEU 19 2HD1 LEU 19 3.831 -3.857 -7.688 621 3HD1 LEU 19 3HD1 LEU 19 3.984 -5.509 -8.260 622 1HD2 LEU 19 1HD2 LEU 19 7.646 -5.336 -8.234 623 2HD2 LEU 19 2HD2 LEU 19 6.239 -5.917 -9.117 624 3HD2 LEU 19 3HD2 LEU 19 6.657 -6.623 -7.558 625 HA PRO 20 HA PRO 20 10.227 -0.073 -6.114 626 1HB PRO 20 2HB PRO 20 12.492 -0.941 -7.668 627 2HB PRO 20 1HB PRO 20 12.377 -0.725 -5.919 628 1HG PRO 20 2HG PRO 20 12.705 -3.125 -7.181 629 2HG PRO 20 1HG PRO 20 12.026 -2.920 -5.558 630 1HD PRO 20 2HD PRO 20 10.605 -3.369 -8.154 631 2HD PRO 20 1HD PRO 20 10.239 -4.001 -6.532 632 H ASN 21 H ASN 21 9.313 -1.548 -9.093 633 HA ASN 21 HA ASN 21 10.238 0.710 -10.710 634 1HB ASN 21 2HB ASN 21 8.742 -1.759 -11.572 635 2HB ASN 21 1HB ASN 21 9.504 -0.579 -12.621 636 1HD2 ASN 21 1HD2 ASN 21 10.090 -3.555 -12.128 637 2HD2 ASN 21 2HD2 ASN 21 11.753 -3.591 -11.789 638 H LEU 22 H LEU 22 7.323 -0.278 -9.076 639 HA LEU 22 HA LEU 22 5.505 1.055 -10.842 640 1HB LEU 22 2HB LEU 22 5.111 0.383 -7.929 641 2HB LEU 22 1HB LEU 22 3.857 0.898 -9.033 642 HG LEU 22 HG LEU 22 5.436 -1.672 -9.073 643 1HD1 LEU 22 1HD1 LEU 22 2.997 -2.535 -9.213 644 2HD1 LEU 22 2HD1 LEU 22 2.533 -0.899 -8.750 645 3HD1 LEU 22 3HD1 LEU 22 3.529 -1.866 -7.667 646 1HD2 LEU 22 1HD2 LEU 22 5.390 -1.115 -11.333 647 2HD2 LEU 22 2HD2 LEU 22 3.825 -0.298 -11.183 648 3HD2 LEU 22 3HD2 LEU 22 3.910 -2.048 -11.132 649 H ASN 23 H ASN 23 4.300 2.899 -10.451 650 HA ASN 23 HA ASN 23 5.829 5.155 -9.454 651 1HB ASN 23 2HB ASN 23 4.677 5.234 -11.627 652 2HB ASN 23 1HB ASN 23 3.163 4.863 -10.868 653 1HD2 ASN 23 1HD2 ASN 23 4.778 7.326 -12.165 654 2HD2 ASN 23 2HD2 ASN 23 4.106 8.618 -11.290 655 H SER 24 H SER 24 4.858 6.683 -7.887 656 HA SER 24 HA SER 24 3.747 5.474 -5.588 657 1HB SER 24 2HB SER 24 3.234 8.373 -6.219 658 2HB SER 24 1HB SER 24 3.639 7.627 -4.676 659 HG SER 24 HG SER 24 5.718 7.563 -5.236 660 H LEU 25 H LEU 25 2.342 7.291 -8.227 661 HA LEU 25 HA LEU 25 -0.368 7.173 -7.408 662 1HB LEU 25 2HB LEU 25 1.149 8.185 -9.685 663 2HB LEU 25 1HB LEU 25 -0.384 7.508 -10.150 664 HG LEU 25 HG LEU 25 -0.055 9.476 -7.934 665 1HD1 LEU 25 1HD1 LEU 25 -1.059 10.039 -10.729 666 2HD1 LEU 25 2HD1 LEU 25 0.606 10.352 -10.232 667 3HD1 LEU 25 3HD1 LEU 25 -0.725 11.211 -9.453 668 1HD2 LEU 25 1HD2 LEU 25 -2.233 7.929 -9.164 669 2HD2 LEU 25 2HD2 LEU 25 -2.617 9.623 -8.838 670 3HD2 LEU 25 3HD2 LEU 25 -2.098 8.562 -7.527 671 H GLN 26 H GLN 26 1.652 5.199 -9.543 672 HA GLN 26 HA GLN 26 -0.421 3.570 -10.575 673 1HB GLN 26 2HB GLN 26 2.535 3.258 -10.272 674 2HB GLN 26 1HB GLN 26 1.574 1.849 -10.691 675 1HG GLN 26 2HG GLN 26 0.712 2.972 -12.679 676 2HG GLN 26 1HG GLN 26 1.558 4.460 -12.242 677 1HE2 GLN 26 1HE2 GLN 26 3.546 1.931 -11.303 678 2HE2 GLN 26 2HE2 GLN 26 4.503 1.827 -12.699 679 H VAL 27 H VAL 27 1.640 3.406 -7.757 680 HA VAL 27 HA VAL 27 0.809 0.881 -6.831 681 HB VAL 27 HB VAL 27 2.085 3.236 -5.451 682 1HG1 VAL 27 1HG1 VAL 27 2.655 1.174 -3.811 683 2HG1 VAL 27 2HG1 VAL 27 1.061 0.653 -4.349 684 3HG1 VAL 27 3HG1 VAL 27 1.257 2.214 -3.556 685 1HG2 VAL 27 1HG2 VAL 27 4.008 2.329 -6.223 686 2HG2 VAL 27 2HG2 VAL 27 2.999 1.315 -7.258 687 3HG2 VAL 27 3HG2 VAL 27 3.535 0.715 -5.691 688 H VAL 28 H VAL 28 -0.207 4.166 -6.105 689 HA VAL 28 HA VAL 28 -2.244 3.497 -4.287 690 HB VAL 28 HB VAL 28 -2.038 5.860 -6.180 691 1HG1 VAL 28 1HG1 VAL 28 -4.177 4.973 -4.598 692 2HG1 VAL 28 2HG1 VAL 28 -3.999 6.569 -5.325 693 3HG1 VAL 28 3HG1 VAL 28 -3.445 6.282 -3.674 694 1HG2 VAL 28 1HG2 VAL 28 -0.395 5.162 -3.989 695 2HG2 VAL 28 2HG2 VAL 28 -1.512 6.365 -3.349 696 3HG2 VAL 28 3HG2 VAL 28 -0.511 6.749 -4.751 697 H ALA 29 H ALA 29 -2.020 3.566 -7.797 698 HA ALA 29 HA ALA 29 -4.742 3.383 -8.477 699 1HB ALA 29 1HB ALA 29 -2.403 3.514 -9.896 700 2HB ALA 29 2HB ALA 29 -3.963 3.108 -10.607 701 3HB ALA 29 3HB ALA 29 -2.845 1.822 -10.143 702 H PHE 30 H PHE 30 -2.274 0.920 -7.774 703 HA PHE 30 HA PHE 30 -4.026 -1.262 -8.130 704 1HB PHE 30 2HB PHE 30 -1.290 -0.978 -6.830 705 2HB PHE 30 1HB PHE 30 -2.109 -2.518 -7.134 706 HD1 PHE 30 1HD PHE 30 0.430 -0.608 -8.408 707 HD2 PHE 30 2HD PHE 30 -3.275 -2.362 -9.777 708 HE1 PHE 30 1HE PHE 30 1.204 -0.481 -10.724 709 HE2 PHE 30 2HE PHE 30 -2.463 -2.210 -12.082 710 HZ PHE 30 HZ PHE 30 -0.232 -1.286 -12.571 711 H ILE 31 H ILE 31 -2.765 0.489 -5.269 712 HA ILE 31 HA ILE 31 -3.969 -1.118 -3.297 713 HB ILE 31 HB ILE 31 -3.385 1.859 -3.262 714 1HG1 ILE 31 2HG1 ILE 31 -1.777 -0.399 -2.034 715 2HG1 ILE 31 1HG1 ILE 31 -1.437 0.229 -3.640 716 1HG2 ILE 31 1HG2 ILE 31 -4.957 1.317 -1.486 717 2HG2 ILE 31 2HG2 ILE 31 -3.359 1.531 -0.771 718 3HG2 ILE 31 3HG2 ILE 31 -4.001 -0.090 -1.027 719 1HD1 ILE 31 1HD1 ILE 31 -1.149 2.494 -2.694 720 2HD1 ILE 31 2HD1 ILE 31 -0.015 1.355 -1.957 721 3HD1 ILE 31 3HD1 ILE 31 -1.467 1.858 -1.077 722 H ASN 32 H ASN 32 -5.133 1.803 -4.922 723 HA ASN 32 HA ASN 32 -7.646 1.969 -3.684 724 1HB ASN 32 2HB ASN 32 -6.532 3.749 -5.066 725 2HB ASN 32 1HB ASN 32 -6.935 2.817 -6.501 726 1HD2 ASN 32 1HD2 ASN 32 -8.314 4.547 -7.244 727 2HD2 ASN 32 2HD2 ASN 32 -9.838 4.825 -6.549 728 H SER 33 H SER 33 -6.468 -0.040 -6.349 729 HA SER 33 HA SER 33 -9.080 -0.759 -7.224 730 1HB SER 33 2HB SER 33 -6.322 -1.528 -7.967 731 2HB SER 33 1HB SER 33 -7.661 -2.572 -8.453 732 HG SER 33 HG SER 33 -8.153 0.086 -8.841 733 H LEU 34 H LEU 34 -6.777 -1.902 -4.856 734 HA LEU 34 HA LEU 34 -7.929 -4.493 -4.423 735 1HB LEU 34 2HB LEU 34 -6.761 -2.746 -2.239 736 2HB LEU 34 1HB LEU 34 -6.814 -4.497 -2.305 737 HG LEU 34 HG LEU 34 -5.164 -2.729 -4.106 738 1HD1 LEU 34 1HD1 LEU 34 -3.989 -4.729 -2.263 739 2HD1 LEU 34 2HD1 LEU 34 -4.595 -3.212 -1.585 740 3HD1 LEU 34 3HD1 LEU 34 -3.340 -3.180 -2.833 741 1HD2 LEU 34 1HD2 LEU 34 -4.145 -4.871 -4.807 742 2HD2 LEU 34 2HD2 LEU 34 -5.841 -4.737 -5.230 743 3HD2 LEU 34 3HD2 LEU 34 -5.360 -5.704 -3.860 744 H ARG 35 H ARG 35 -8.341 -1.264 -3.180 745 HA ARG 35 HA ARG 35 -10.466 -1.590 -1.353 746 1HB ARG 35 2HB ARG 35 -9.060 0.551 -2.654 747 2HB ARG 35 1HB ARG 35 -10.779 0.864 -2.819 748 1HG ARG 35 2HG ARG 35 -10.945 1.471 -0.660 749 2HG ARG 35 1HG ARG 35 -10.150 0.002 -0.111 750 1HD ARG 35 2HD ARG 35 -7.972 1.209 -0.980 751 2HD ARG 35 1HD ARG 35 -8.955 2.661 -0.819 752 HE ARG 35 HE ARG 35 -7.779 1.178 1.311 753 1HH1 ARG 35 1HH1 ARG 35 -10.553 0.706 2.094 754 2HH1 ARG 35 2HH1 ARG 35 -10.992 2.140 2.960 755 1HH2 ARG 35 1HH2 ARG 35 -8.365 4.014 1.700 756 2HH2 ARG 35 2HH2 ARG 35 -9.753 4.014 2.735 757 H ASP 36 H ASP 36 -10.441 -0.855 -4.803 758 HA ASP 36 HA ASP 36 -13.231 -0.728 -5.227 759 1HB ASP 36 2HB ASP 36 -10.936 -1.369 -7.099 760 2HB ASP 36 1HB ASP 36 -12.581 -1.025 -7.628 761 H ASP 37 H ASP 37 -10.895 -3.364 -5.433 762 HA ASP 37 HA ASP 37 -13.055 -5.331 -5.308 763 1HB ASP 37 2HB ASP 37 -11.002 -6.067 -7.298 764 2HB ASP 37 1HB ASP 37 -12.744 -6.291 -7.346 765 HA PRO 38 HA PRO 38 -9.636 -6.407 -2.538 766 1HB PRO 38 2HB PRO 38 -11.569 -7.803 -0.953 767 2HB PRO 38 1HB PRO 38 -10.680 -6.333 -0.564 768 1HG PRO 38 2HG PRO 38 -13.408 -6.544 -1.085 769 2HG PRO 38 1HG PRO 38 -12.461 -5.054 -0.983 770 1HD PRO 38 2HD PRO 38 -13.535 -6.409 -3.356 771 2HD PRO 38 1HD PRO 38 -12.954 -4.740 -3.173 772 H SER 39 H SER 39 -12.226 -8.411 -3.825 773 HA SER 39 HA SER 39 -11.068 -10.947 -3.301 774 1HB SER 39 2HB SER 39 -13.470 -10.550 -3.949 775 2HB SER 39 1HB SER 39 -12.919 -10.196 -5.584 776 HG SER 39 HG SER 39 -11.831 -12.341 -5.383 777 H GLN 40 H GLN 40 -10.808 -8.587 -5.887 778 HA GLN 40 HA GLN 40 -8.909 -10.269 -7.309 779 1HB GLN 40 2HB GLN 40 -9.500 -7.687 -8.525 780 2HB GLN 40 1HB GLN 40 -9.518 -9.287 -9.219 781 1HG GLN 40 2HG GLN 40 -11.725 -9.751 -8.302 782 2HG GLN 40 1HG GLN 40 -11.730 -8.209 -7.452 783 1HE2 GLN 40 1HE2 GLN 40 -10.742 -6.483 -9.438 784 2HE2 GLN 40 2HE2 GLN 40 -11.831 -6.444 -10.740 785 H SER 41 H SER 41 -8.362 -8.773 -4.710 786 HA SER 41 HA SER 41 -6.719 -6.564 -5.184 787 1HB SER 41 2HB SER 41 -6.686 -8.762 -3.106 788 2HB SER 41 1HB SER 41 -5.473 -7.494 -3.089 789 HG SER 41 HG SER 41 -7.631 -6.176 -3.361 790 H ALA 42 H ALA 42 -6.223 -9.952 -5.596 791 HA ALA 42 HA ALA 42 -3.397 -9.938 -6.023 792 1HB ALA 42 1HB ALA 42 -3.704 -12.228 -6.598 793 2HB ALA 42 2HB ALA 42 -5.407 -11.967 -6.993 794 3HB ALA 42 3HB ALA 42 -4.867 -11.887 -5.313 795 H ASN 43 H ASN 43 -6.218 -9.386 -7.984 796 HA ASN 43 HA ASN 43 -5.170 -9.939 -10.539 797 1HB ASN 43 2HB ASN 43 -7.560 -9.737 -9.729 798 2HB ASN 43 1HB ASN 43 -7.345 -8.004 -9.955 799 1HD2 ASN 43 1HD2 ASN 43 -5.489 -8.591 -12.358 800 2HD2 ASN 43 2HD2 ASN 43 -6.560 -8.994 -13.610 801 H LEU 44 H LEU 44 -5.821 -6.833 -8.932 802 HA LEU 44 HA LEU 44 -4.487 -5.434 -10.985 803 1HB LEU 44 2HB LEU 44 -4.985 -3.391 -9.797 804 2HB LEU 44 1HB LEU 44 -6.400 -4.412 -9.836 805 HG LEU 44 HG LEU 44 -6.011 -3.278 -7.688 806 1HD1 LEU 44 1HD1 LEU 44 -7.052 -5.676 -8.202 807 2HD1 LEU 44 2HD1 LEU 44 -7.087 -4.866 -6.641 808 3HD1 LEU 44 3HD1 LEU 44 -5.848 -6.083 -6.985 809 1HD2 LEU 44 1HD2 LEU 44 -4.222 -3.544 -6.395 810 2HD2 LEU 44 2HD2 LEU 44 -3.442 -3.837 -7.930 811 3HD2 LEU 44 3HD2 LEU 44 -3.952 -5.195 -6.916 812 H LEU 45 H LEU 45 -3.687 -6.930 -8.029 813 HA LEU 45 HA LEU 45 -1.143 -5.715 -7.569 814 1HB LEU 45 2HB LEU 45 -1.895 -7.007 -5.745 815 2HB LEU 45 1HB LEU 45 -2.485 -8.294 -6.785 816 HG LEU 45 HG LEU 45 -0.170 -8.934 -7.333 817 1HD1 LEU 45 1HD1 LEU 45 0.855 -6.714 -7.096 818 2HD1 LEU 45 2HD1 LEU 45 1.686 -7.897 -6.104 819 3HD1 LEU 45 3HD1 LEU 45 0.565 -6.759 -5.361 820 1HD2 LEU 45 1HD2 LEU 45 -1.415 -9.142 -4.736 821 2HD2 LEU 45 2HD2 LEU 45 0.336 -9.105 -4.555 822 3HD2 LEU 45 3HD2 LEU 45 -0.418 -10.318 -5.586 823 H ALA 46 H ALA 46 -2.540 -8.254 -9.446 824 HA ALA 46 HA ALA 46 -0.187 -9.401 -10.531 825 1HB ALA 46 1HB ALA 46 -1.734 -10.787 -11.446 826 2HB ALA 46 2HB ALA 46 -2.351 -9.465 -12.435 827 3HB ALA 46 3HB ALA 46 -3.018 -9.745 -10.829 828 H GLU 47 H GLU 47 -2.387 -6.834 -11.494 829 HA GLU 47 HA GLU 47 -1.166 -6.038 -13.895 830 1HB GLU 47 2HB GLU 47 -2.758 -4.433 -11.869 831 2HB GLU 47 1HB GLU 47 -2.311 -3.856 -13.470 832 1HG GLU 47 2HG GLU 47 -4.091 -6.191 -12.790 833 2HG GLU 47 1HG GLU 47 -4.578 -4.664 -13.501 834 H ALA 48 H ALA 48 -0.563 -5.337 -10.518 835 HA ALA 48 HA ALA 48 1.188 -3.135 -10.859 836 1HB ALA 48 1HB ALA 48 -0.134 -4.329 -8.795 837 2HB ALA 48 2HB ALA 48 1.166 -3.153 -8.598 838 3HB ALA 48 3HB ALA 48 1.520 -4.881 -8.522 839 H LYS 49 H LYS 49 1.715 -6.551 -10.130 840 HA LYS 49 HA LYS 49 4.528 -6.409 -10.072 841 1HB LYS 49 2HB LYS 49 2.548 -8.629 -10.480 842 2HB LYS 49 1HB LYS 49 4.283 -8.933 -10.485 843 1HG LYS 49 2HG LYS 49 4.398 -7.839 -8.229 844 2HG LYS 49 1HG LYS 49 2.636 -7.753 -8.239 845 1HD LYS 49 2HD LYS 49 4.192 -10.335 -8.583 846 2HD LYS 49 1HD LYS 49 3.572 -9.773 -7.037 847 1HE LYS 49 2HE LYS 49 1.363 -9.574 -8.729 848 2HE LYS 49 1HE LYS 49 2.150 -11.064 -9.244 849 1HZ LYS 49 1HZ LYS 49 0.478 -11.177 -7.336 850 2HZ LYS 49 2HZ LYS 49 1.706 -10.491 -6.384 851 3HZ LYS 49 3HZ LYS 49 1.954 -11.990 -7.144 852 H LYS 50 H LYS 50 2.155 -6.865 -12.558 853 HA LYS 50 HA LYS 50 3.904 -7.398 -14.745 854 1HB LYS 50 2HB LYS 50 1.079 -6.402 -14.531 855 2HB LYS 50 1HB LYS 50 1.893 -6.594 -16.081 856 1HG LYS 50 2HG LYS 50 2.257 -8.968 -15.650 857 2HG LYS 50 1HG LYS 50 1.564 -8.819 -14.039 858 1HD LYS 50 2HD LYS 50 -0.586 -8.040 -15.127 859 2HD LYS 50 1HD LYS 50 0.134 -8.441 -16.687 860 1HE LYS 50 2HE LYS 50 -0.193 -10.410 -14.401 861 2HE LYS 50 1HE LYS 50 -1.303 -10.276 -15.765 862 1HZ LYS 50 1HZ LYS 50 0.658 -10.658 -17.232 863 2HZ LYS 50 2HZ LYS 50 0.236 -11.988 -16.262 864 3HZ LYS 50 3HZ LYS 50 1.568 -11.016 -15.847 865 H LEU 51 H LEU 51 2.473 -4.477 -13.335 866 HA LEU 51 HA LEU 51 3.429 -2.715 -15.372 867 1HB LEU 51 2HB LEU 51 2.005 -2.458 -12.836 868 2HB LEU 51 1HB LEU 51 3.208 -1.191 -13.043 869 HG LEU 51 HG LEU 51 0.986 -0.602 -13.997 870 1HD1 LEU 51 1HD1 LEU 51 2.550 0.721 -15.001 871 2HD1 LEU 51 2HD1 LEU 51 2.123 -0.231 -16.425 872 3HD1 LEU 51 3HD1 LEU 51 3.561 -0.648 -15.488 873 1HD2 LEU 51 1HD2 LEU 51 -0.101 -2.257 -15.102 874 2HD2 LEU 51 2HD2 LEU 51 1.370 -3.214 -15.278 875 3HD2 LEU 51 3HD2 LEU 51 0.994 -1.949 -16.449 876 H ASN 52 H ASN 52 4.584 -3.783 -12.276 877 HA ASN 52 HA ASN 52 6.917 -2.173 -12.156 878 1HB ASN 52 2HB ASN 52 6.164 -3.339 -10.185 879 2HB ASN 52 1HB ASN 52 6.288 -4.895 -10.991 880 1HD2 ASN 52 1HD2 ASN 52 8.502 -5.615 -11.581 881 2HD2 ASN 52 2HD2 ASN 52 9.832 -5.066 -10.680 882 H ASP 53 H ASP 53 6.050 -5.253 -13.526 883 HA ASP 53 HA ASP 53 8.651 -5.942 -14.519 884 1HB ASP 53 2HB ASP 53 5.878 -6.823 -15.353 885 2HB ASP 53 1HB ASP 53 7.351 -7.487 -16.045 886 H ALA 54 H ALA 54 5.928 -4.112 -15.709 887 HA ALA 54 HA ALA 54 6.737 -3.782 -18.396 888 1HB ALA 54 1HB ALA 54 4.962 -2.282 -18.566 889 2HB ALA 54 2HB ALA 54 5.122 -1.754 -16.890 890 3HB ALA 54 3HB ALA 54 4.453 -3.346 -17.253 891 H GLN 55 H GLN 55 7.324 -1.936 -15.440 892 HA GLN 55 HA GLN 55 8.906 0.067 -16.862 893 1HB GLN 55 2HB GLN 55 8.085 -0.241 -14.015 894 2HB GLN 55 1HB GLN 55 9.037 1.102 -14.613 895 1HG GLN 55 2HG GLN 55 7.259 1.996 -15.806 896 2HG GLN 55 1HG GLN 55 6.463 0.432 -15.984 897 1HE2 GLN 55 1HE2 GLN 55 5.997 -0.554 -13.592 898 2HE2 GLN 55 2HE2 GLN 55 5.187 0.531 -12.568 899 H ALA 56 H ALA 56 9.433 -2.949 -15.553 900 HA ALA 56 HA ALA 56 11.858 -2.615 -14.130 901 1HB ALA 56 1HB ALA 56 12.230 -5.024 -14.596 902 2HB ALA 56 2HB ALA 56 10.856 -5.000 -15.697 903 3HB ALA 56 3HB ALA 56 10.612 -4.702 -13.977 904 HA PRO 57 HA PRO 57 14.825 -2.097 -17.275 905 1HB PRO 57 2HB PRO 57 16.872 -3.609 -15.920 906 2HB PRO 57 1HB PRO 57 16.611 -1.860 -15.901 907 1HG PRO 57 2HG PRO 57 16.294 -3.496 -13.733 908 2HG PRO 57 1HG PRO 57 15.509 -1.919 -13.933 909 1HD PRO 57 2HD PRO 57 14.394 -4.659 -14.436 910 2HD PRO 57 1HD PRO 57 13.624 -3.250 -13.665 911 H LYS 58 H LYS 58 16.670 -3.356 -18.471 912 HA LYS 58 HA LYS 58 15.675 -6.022 -19.240 913 1HB LYS 58 2HB LYS 58 16.534 -3.695 -20.864 914 2HB LYS 58 1HB LYS 58 16.802 -5.307 -21.496 915 1HG LYS 58 2HG LYS 58 14.671 -4.934 -22.319 916 2HG LYS 58 1HG LYS 58 14.253 -5.628 -20.755 917 1HD LYS 58 2HD LYS 58 14.424 -3.088 -19.960 918 2HD LYS 58 1HD LYS 58 14.112 -2.772 -21.666 919 1HE LYS 58 2HE LYS 58 11.958 -2.841 -20.687 920 2HE LYS 58 1HE LYS 58 12.144 -4.434 -21.420 921 1HZ LYS 58 1HZ LYS 58 13.132 -5.002 -19.086 922 2HZ LYS 58 2HZ LYS 58 11.449 -4.989 -19.329 923 3HZ LYS 58 3HZ LYS 58 12.214 -3.665 -18.587 Start of MODEL 20 1 1H VAL 1 1HT VAL 1 8.798 -17.173 1.785 2 2H VAL 1 2HT VAL 1 8.383 -18.225 3.054 3 3H VAL 1 3HT VAL 1 9.996 -18.111 2.534 4 HA VAL 1 HA VAL 1 9.892 -16.887 4.520 5 HB VAL 1 HB VAL 1 9.607 -14.916 2.222 6 1HG1 VAL 1 1HG1 VAL 1 9.690 -13.703 4.272 7 2HG1 VAL 1 2HG1 VAL 1 11.343 -13.679 3.663 8 3HG1 VAL 1 3HG1 VAL 1 10.898 -14.789 4.959 9 1HG2 VAL 1 1HG2 VAL 1 11.226 -16.596 1.574 10 2HG2 VAL 1 2HG2 VAL 1 11.976 -16.564 3.170 11 3HG2 VAL 1 3HG2 VAL 1 12.125 -15.172 2.096 12 H ASP 2 H ASP 2 8.681 -15.828 6.026 13 HA ASP 2 HA ASP 2 5.874 -15.843 5.867 14 1HB ASP 2 2HB ASP 2 7.662 -14.241 7.720 15 2HB ASP 2 1HB ASP 2 5.948 -14.571 7.974 16 H ASN 3 H ASN 3 8.229 -13.281 5.306 17 HA ASN 3 HA ASN 3 8.078 -11.183 4.415 18 1HB ASN 3 2HB ASN 3 5.563 -12.293 3.129 19 2HB ASN 3 1HB ASN 3 6.422 -10.841 2.629 20 1HD2 ASN 3 1HD2 ASN 3 6.000 -13.805 1.497 21 2HD2 ASN 3 2HD2 ASN 3 7.552 -14.170 0.917 22 H LYS 4 H LYS 4 7.136 -11.426 7.024 23 HA LYS 4 HA LYS 4 4.584 -10.337 7.516 24 1HB LYS 4 2HB LYS 4 6.148 -11.374 9.220 25 2HB LYS 4 1HB LYS 4 7.045 -9.853 9.207 26 1HG LYS 4 2HG LYS 4 4.923 -8.652 9.777 27 2HG LYS 4 1HG LYS 4 4.116 -10.211 9.909 28 1HD LYS 4 2HD LYS 4 5.747 -10.874 11.671 29 2HD LYS 4 1HD LYS 4 6.463 -9.263 11.581 30 1HE LYS 4 2HE LYS 4 3.505 -9.579 12.036 31 2HE LYS 4 1HE LYS 4 4.630 -9.724 13.388 32 1HZ LYS 4 1HZ LYS 4 3.785 -7.387 11.965 33 2HZ LYS 4 2HZ LYS 4 5.477 -7.501 12.061 34 3HZ LYS 4 3HZ LYS 4 4.541 -7.515 13.478 35 H PHE 5 H PHE 5 7.735 -8.805 7.016 36 HA PHE 5 HA PHE 5 7.039 -6.153 7.469 37 1HB PHE 5 2HB PHE 5 9.090 -5.581 6.491 38 2HB PHE 5 1HB PHE 5 9.374 -7.218 7.072 39 HD1 PHE 5 1HD PHE 5 9.291 -5.047 4.190 40 HD2 PHE 5 2HD PHE 5 9.095 -9.165 5.417 41 HE1 PHE 5 1HE PHE 5 9.823 -5.767 1.877 42 HE2 PHE 5 2HE PHE 5 9.630 -9.880 3.104 43 HZ PHE 5 HZ PHE 5 9.994 -8.181 1.334 44 H ASN 6 H ASN 6 6.752 -8.169 4.562 45 HA ASN 6 HA ASN 6 5.959 -6.143 2.756 46 1HB ASN 6 2HB ASN 6 6.679 -8.422 2.088 47 2HB ASN 6 1HB ASN 6 5.199 -9.066 2.784 48 1HD2 ASN 6 1HD2 ASN 6 4.381 -9.819 0.742 49 2HD2 ASN 6 2HD2 ASN 6 3.863 -8.740 -0.470 50 H LYS 7 H LYS 7 4.165 -8.363 4.839 51 HA LYS 7 HA LYS 7 1.571 -7.599 4.063 52 1HB LYS 7 2HB LYS 7 2.396 -9.623 5.496 53 2HB LYS 7 1HB LYS 7 2.272 -8.506 6.853 54 1HG LYS 7 2HG LYS 7 -0.039 -8.308 6.663 55 2HG LYS 7 1HG LYS 7 -0.039 -8.747 4.955 56 1HD LYS 7 2HD LYS 7 0.896 -11.060 5.934 57 2HD LYS 7 1HD LYS 7 0.039 -10.512 7.372 58 1HE LYS 7 2HE LYS 7 -1.501 -10.200 4.871 59 2HE LYS 7 1HE LYS 7 -1.122 -11.871 5.273 60 1HZ LYS 7 1HZ LYS 7 -2.182 -11.683 7.338 61 2HZ LYS 7 2HZ LYS 7 -3.229 -10.904 6.251 62 3HZ LYS 7 3HZ LYS 7 -2.228 -9.989 7.273 63 H GLU 8 H GLU 8 3.842 -6.476 6.488 64 HA GLU 8 HA GLU 8 2.139 -4.528 7.651 65 1HB GLU 8 2HB GLU 8 5.126 -4.971 7.708 66 2HB GLU 8 1HB GLU 8 4.344 -3.652 8.589 67 1HG GLU 8 2HG GLU 8 2.996 -5.237 9.857 68 2HG GLU 8 1HG GLU 8 3.622 -6.583 8.909 69 H LEU 9 H LEU 9 4.516 -4.507 5.114 70 HA LEU 9 HA LEU 9 4.718 -1.714 4.597 71 1HB LEU 9 2HB LEU 9 6.334 -3.292 3.709 72 2HB LEU 9 1HB LEU 9 5.076 -4.147 2.828 73 HG LEU 9 HG LEU 9 4.638 -1.911 1.628 74 1HD1 LEU 9 1HD1 LEU 9 7.391 -1.074 1.833 75 2HD1 LEU 9 2HD1 LEU 9 6.614 -0.977 3.419 76 3HD1 LEU 9 3HD1 LEU 9 5.928 -0.146 2.021 77 1HD2 LEU 9 1HD2 LEU 9 5.634 -3.750 0.491 78 2HD2 LEU 9 2HD2 LEU 9 7.186 -3.481 1.284 79 3HD2 LEU 9 3HD2 LEU 9 6.580 -2.315 0.105 80 H GLY 10 H GLY 10 2.484 -4.221 3.427 81 1HA GLY 10 2HA GLY 10 1.103 -2.425 1.698 82 2HA GLY 10 1HA GLY 10 0.578 -4.035 2.181 83 H TRP 11 H TRP 11 0.781 -3.658 4.966 84 HA TRP 11 HA TRP 11 -1.744 -2.535 5.417 85 1HB TRP 11 2HB TRP 11 -0.194 -4.291 6.781 86 2HB TRP 11 1HB TRP 11 -0.139 -2.852 7.797 87 HD1 TRP 11 HD TRP 11 -1.692 -3.734 9.595 88 HE1 TRP 11 1HE TRP 11 -4.207 -4.292 9.680 89 HE3 TRP 11 3HE TRP 11 -2.921 -3.489 4.603 90 HZ2 TRP 11 2HZ TRP 11 -6.399 -4.506 7.928 91 HZ3 TRP 11 3HZ TRP 11 -5.228 -3.817 3.869 92 HH2 TRP 11 HH TRP 11 -7.001 -4.339 5.532 93 H ALA 12 H ALA 12 1.418 -1.378 6.350 94 HA ALA 12 HA ALA 12 0.372 0.841 7.639 95 1HB ALA 12 1HB ALA 12 2.754 1.778 6.603 96 2HB ALA 12 2HB ALA 12 2.993 0.032 6.563 97 3HB ALA 12 3HB ALA 12 2.611 0.829 8.084 98 H THR 13 H THR 13 1.167 0.134 4.269 99 HA THR 13 HA THR 13 0.682 2.618 3.050 100 HB THR 13 HB THR 13 0.712 -0.219 2.242 101 HG1 THR 13 1HG THR 13 2.462 1.257 2.121 102 1HG2 THR 13 1HG2 THR 13 -0.668 1.910 0.588 103 2HG2 THR 13 2HG2 THR 13 -1.409 0.432 1.216 104 3HG2 THR 13 3HG2 THR 13 -0.155 0.337 -0.021 105 H TRP 14 H TRP 14 -1.497 -0.073 3.752 106 HA TRP 14 HA TRP 14 -3.844 1.099 2.703 107 1HB TRP 14 2HB TRP 14 -3.349 -1.332 3.246 108 2HB TRP 14 1HB TRP 14 -3.730 -0.935 4.914 109 HD1 TRP 14 HD TRP 14 -6.207 -0.842 5.565 110 HE1 TRP 14 1HE TRP 14 -8.421 -1.094 4.287 111 HE3 TRP 14 3HE TRP 14 -4.482 -0.679 0.742 112 HZ2 TRP 14 2HZ TRP 14 -9.325 -1.213 1.590 113 HZ3 TRP 14 3HZ TRP 14 -6.037 -0.873 -1.117 114 HH2 TRP 14 HH TRP 14 -8.417 -1.143 -0.699 115 H GLU 15 H GLU 15 -2.633 0.851 6.035 116 HA GLU 15 HA GLU 15 -4.845 2.089 7.262 117 1HB GLU 15 2HB GLU 15 -1.946 1.861 8.106 118 2HB GLU 15 1HB GLU 15 -3.238 2.445 9.158 119 1HG GLU 15 2HG GLU 15 -4.381 0.328 9.098 120 2HG GLU 15 1HG GLU 15 -3.396 -0.256 7.762 121 H ILE 16 H ILE 16 -1.908 3.338 5.785 122 HA ILE 16 HA ILE 16 -2.325 6.112 6.478 123 HB ILE 16 HB ILE 16 -0.650 4.747 4.314 124 1HG1 ILE 16 2HG1 ILE 16 0.245 6.067 6.870 125 2HG1 ILE 16 1HG1 ILE 16 -0.049 4.361 6.760 126 1HG2 ILE 16 1HG2 ILE 16 0.469 7.245 4.863 127 2HG2 ILE 16 2HG2 ILE 16 -1.258 7.573 4.722 128 3HG2 ILE 16 3HG2 ILE 16 -0.394 6.790 3.400 129 1HD1 ILE 16 1HD1 ILE 16 1.912 3.987 5.652 130 2HD1 ILE 16 2HD1 ILE 16 2.374 5.583 6.231 131 3HD1 ILE 16 3HD1 ILE 16 1.692 5.398 4.609 132 H PHE 17 H PHE 17 -3.137 3.938 3.847 133 HA PHE 17 HA PHE 17 -4.210 5.747 1.939 134 1HB PHE 17 2HB PHE 17 -3.653 3.095 1.985 135 2HB PHE 17 1HB PHE 17 -5.375 3.022 2.234 136 HD1 PHE 17 1HD PHE 17 -6.895 3.428 0.458 137 HD2 PHE 17 2HD PHE 17 -2.703 4.204 -0.081 138 HE1 PHE 17 1HE PHE 17 -7.242 3.585 -1.985 139 HE2 PHE 17 2HE PHE 17 -3.036 4.369 -2.529 140 HZ PHE 17 HZ PHE 17 -5.310 4.052 -3.472 141 H ASN 18 H ASN 18 -5.553 3.992 4.677 142 HA ASN 18 HA ASN 18 -8.269 4.939 4.203 143 1HB ASN 18 2HB ASN 18 -7.052 3.054 6.227 144 2HB ASN 18 1HB ASN 18 -8.752 3.514 6.239 145 1HD2 ASN 18 1HD2 ASN 18 -6.444 2.516 3.627 146 2HD2 ASN 18 2HD2 ASN 18 -7.485 1.349 2.972 147 H LEU 19 H LEU 19 -5.698 6.497 5.575 148 HA LEU 19 HA LEU 19 -6.816 7.246 8.076 149 1HB LEU 19 2HB LEU 19 -4.510 8.109 6.475 150 2HB LEU 19 1HB LEU 19 -5.177 9.349 7.534 151 HG LEU 19 HG LEU 19 -4.357 6.555 8.415 152 1HD1 LEU 19 1HD1 LEU 19 -2.417 7.834 7.911 153 2HD1 LEU 19 2HD1 LEU 19 -2.613 7.887 9.661 154 3HD1 LEU 19 3HD1 LEU 19 -3.094 9.260 8.676 155 1HD2 LEU 19 1HD2 LEU 19 -6.057 8.492 9.645 156 2HD2 LEU 19 2HD2 LEU 19 -4.546 8.471 10.541 157 3HD2 LEU 19 3HD2 LEU 19 -5.468 6.981 10.323 158 HA PRO 20 HA PRO 20 -9.882 9.956 6.393 159 1HB PRO 20 2HB PRO 20 -10.473 10.964 9.038 160 2HB PRO 20 1HB PRO 20 -11.379 9.789 8.074 161 1HG PRO 20 2HG PRO 20 -10.054 9.212 10.383 162 2HG PRO 20 1HG PRO 20 -10.401 8.030 9.109 163 1HD PRO 20 2HD PRO 20 -7.860 9.507 9.663 164 2HD PRO 20 1HD PRO 20 -8.096 7.819 9.193 165 H ASN 21 H ASN 21 -6.921 11.246 7.179 166 HA ASN 21 HA ASN 21 -8.025 13.957 6.680 167 1HB ASN 21 2HB ASN 21 -6.183 13.397 8.996 168 2HB ASN 21 1HB ASN 21 -6.669 14.987 8.448 169 1HD2 ASN 21 1HD2 ASN 21 -7.557 12.391 10.505 170 2HD2 ASN 21 2HD2 ASN 21 -9.125 12.927 10.871 171 H LEU 22 H LEU 22 -5.698 11.703 5.905 172 HA LEU 22 HA LEU 22 -3.577 13.579 5.262 173 1HB LEU 22 2HB LEU 22 -3.951 10.700 4.419 174 2HB LEU 22 1HB LEU 22 -2.477 11.653 4.228 175 HG LEU 22 HG LEU 22 -3.812 11.025 6.874 176 1HD1 LEU 22 1HD1 LEU 22 -2.859 9.015 6.088 177 2HD1 LEU 22 2HD1 LEU 22 -1.657 9.700 7.176 178 3HD1 LEU 22 3HD1 LEU 22 -1.449 9.837 5.433 179 1HD2 LEU 22 1HD2 LEU 22 -1.486 12.703 6.039 180 2HD2 LEU 22 2HD2 LEU 22 -1.329 11.765 7.521 181 3HD2 LEU 22 3HD2 LEU 22 -2.629 12.950 7.369 182 H ASN 23 H ASN 23 -2.918 14.229 3.188 183 HA ASN 23 HA ASN 23 -5.119 14.226 1.233 184 1HB ASN 23 2HB ASN 23 -4.060 16.092 0.181 185 2HB ASN 23 1HB ASN 23 -4.053 16.403 1.911 186 1HD2 ASN 23 1HD2 ASN 23 -2.198 17.486 -0.169 187 2HD2 ASN 23 2HD2 ASN 23 -0.642 17.022 0.325 188 H GLY 24 H GLY 24 -4.488 13.990 -1.077 189 1HA GLY 24 2HA GLY 24 -3.546 11.485 -1.651 190 2HA GLY 24 1HA GLY 24 -3.525 12.810 -2.806 191 H VAL 25 H VAL 25 -1.621 14.436 -1.301 192 HA VAL 25 HA VAL 25 0.790 13.271 -2.332 193 HB VAL 25 HB VAL 25 0.320 15.780 -0.723 194 1HG1 VAL 25 1HG1 VAL 25 2.636 16.316 -1.793 195 2HG1 VAL 25 2HG1 VAL 25 2.784 14.567 -1.975 196 3HG1 VAL 25 3HG1 VAL 25 2.607 15.275 -0.369 197 1HG2 VAL 25 1HG2 VAL 25 0.863 16.730 -3.074 198 2HG2 VAL 25 2HG2 VAL 25 -0.723 15.988 -2.852 199 3HG2 VAL 25 3HG2 VAL 25 0.567 15.088 -3.656 200 H GLN 26 H GLN 26 -0.304 14.011 1.035 201 HA GLN 26 HA GLN 26 2.040 13.047 2.238 202 1HB GLN 26 2HB GLN 26 -0.709 13.629 3.171 203 2HB GLN 26 1HB GLN 26 0.291 12.607 4.193 204 1HG GLN 26 2HG GLN 26 1.787 14.280 4.682 205 2HG GLN 26 1HG GLN 26 1.621 15.032 3.089 206 1HE2 GLN 26 1HE2 GLN 26 -0.291 14.472 6.050 207 2HE2 GLN 26 2HE2 GLN 26 -1.087 15.967 6.004 208 H VAL 27 H VAL 27 -0.999 11.402 1.437 209 HA VAL 27 HA VAL 27 -0.290 8.888 2.548 210 HB VAL 27 HB VAL 27 -2.100 9.469 0.178 211 1HG1 VAL 27 1HG1 VAL 27 -1.442 7.107 0.290 212 2HG1 VAL 27 2HG1 VAL 27 -3.120 7.279 0.802 213 3HG1 VAL 27 3HG1 VAL 27 -1.849 7.058 2.006 214 1HG2 VAL 27 1HG2 VAL 27 -2.693 9.170 3.146 215 2HG2 VAL 27 2HG2 VAL 27 -3.913 9.320 1.881 216 3HG2 VAL 27 3HG2 VAL 27 -2.818 10.658 2.211 217 H LYS 28 H LYS 28 0.077 10.287 -0.671 218 HA LYS 28 HA LYS 28 1.329 8.106 -1.948 219 1HB LYS 28 2HB LYS 28 0.353 10.074 -3.123 220 2HB LYS 28 1HB LYS 28 1.642 11.091 -2.488 221 1HG LYS 28 2HG LYS 28 3.283 9.550 -3.661 222 2HG LYS 28 1HG LYS 28 1.896 8.767 -4.424 223 1HD LYS 28 2HD LYS 28 1.194 10.931 -5.384 224 2HD LYS 28 1HD LYS 28 2.575 11.721 -4.623 225 1HE LYS 28 2HE LYS 28 2.765 9.483 -6.664 226 2HE LYS 28 1HE LYS 28 3.000 11.193 -7.014 227 1HZ LYS 28 1HZ LYS 28 4.598 9.630 -5.056 228 2HZ LYS 28 2HZ LYS 28 4.845 11.253 -5.494 229 3HZ LYS 28 3HZ LYS 28 5.100 10.017 -6.629 230 H ALA 29 H ALA 29 2.561 10.707 0.061 231 HA ALA 29 HA ALA 29 5.322 10.261 -0.420 232 1HB ALA 29 1HB ALA 29 4.310 12.368 0.495 233 2HB ALA 29 2HB ALA 29 5.699 11.757 1.393 234 3HB ALA 29 3HB ALA 29 4.068 11.498 2.009 235 H PHE 30 H PHE 30 3.066 9.271 2.100 236 HA PHE 30 HA PHE 30 4.950 7.942 3.675 237 1HB PHE 30 2HB PHE 30 1.973 7.519 3.413 238 2HB PHE 30 1HB PHE 30 2.990 6.834 4.677 239 HD1 PHE 30 1HD PHE 30 4.807 8.998 5.432 240 HD2 PHE 30 2HD PHE 30 0.610 9.204 4.416 241 HE1 PHE 30 1HE PHE 30 4.574 11.081 6.726 242 HE2 PHE 30 2HE PHE 30 0.413 11.268 5.738 243 HZ PHE 30 HZ PHE 30 2.383 12.203 6.877 244 H ILE 31 H ILE 31 2.928 7.034 0.930 245 HA ILE 31 HA ILE 31 3.632 4.294 0.964 246 HB ILE 31 HB ILE 31 2.578 6.074 -1.230 247 1HG1 ILE 31 2HG1 ILE 31 1.356 3.766 0.325 248 2HG1 ILE 31 1HG1 ILE 31 1.055 5.469 0.645 249 1HG2 ILE 31 1HG2 ILE 31 2.235 3.306 -1.893 250 2HG2 ILE 31 2HG2 ILE 31 3.944 3.548 -1.571 251 3HG2 ILE 31 3HG2 ILE 31 3.131 4.526 -2.788 252 1HD1 ILE 31 1HD1 ILE 31 -0.725 4.411 -0.742 253 2HD1 ILE 31 2HD1 ILE 31 0.479 4.092 -1.987 254 3HD1 ILE 31 3HD1 ILE 31 0.069 5.755 -1.561 255 H ASP 32 H ASP 32 4.924 7.137 -0.659 256 HA ASP 32 HA ASP 32 6.910 5.872 -2.166 257 1HB ASP 32 2HB ASP 32 6.497 8.631 -1.120 258 2HB ASP 32 1HB ASP 32 8.123 8.220 -1.650 259 H SER 33 H SER 33 6.970 7.130 1.081 260 HA SER 33 HA SER 33 9.678 6.551 1.692 261 1HB SER 33 2HB SER 33 7.257 6.857 3.496 262 2HB SER 33 1HB SER 33 8.940 6.844 4.037 263 HG SER 33 HG SER 33 7.771 8.655 2.184 264 H LEU 34 H LEU 34 6.678 4.781 1.944 265 HA LEU 34 HA LEU 34 7.490 2.481 3.411 266 1HB LEU 34 2HB LEU 34 5.290 3.352 1.654 267 2HB LEU 34 1HB LEU 34 5.586 1.643 1.652 268 HG LEU 34 HG LEU 34 5.592 2.745 4.331 269 1HD1 LEU 34 1HD1 LEU 34 2.948 2.776 4.167 270 2HD1 LEU 34 2HD1 LEU 34 3.280 3.241 2.505 271 3HD1 LEU 34 3HD1 LEU 34 3.874 4.233 3.832 272 1HD2 LEU 34 1HD2 LEU 34 4.243 0.547 2.805 273 2HD2 LEU 34 2HD2 LEU 34 3.848 0.872 4.495 274 3HD2 LEU 34 3HD2 LEU 34 5.485 0.430 4.034 275 H ARG 35 H ARG 35 7.228 3.036 -0.094 276 HA ARG 35 HA ARG 35 8.329 0.567 -0.938 277 1HB ARG 35 2HB ARG 35 9.108 2.829 -2.653 278 2HB ARG 35 1HB ARG 35 8.200 1.379 -3.054 279 1HG ARG 35 2HG ARG 35 6.230 2.472 -1.833 280 2HG ARG 35 1HG ARG 35 7.190 3.941 -1.858 281 1HD ARG 35 2HD ARG 35 5.896 4.184 -3.775 282 2HD ARG 35 1HD ARG 35 7.379 3.485 -4.421 283 HE ARG 35 HE ARG 35 4.786 2.162 -4.159 284 1HH1 ARG 35 1HH1 ARG 35 6.417 2.161 -6.689 285 2HH1 ARG 35 2HH1 ARG 35 7.075 0.560 -6.688 286 1HH2 ARG 35 1HH2 ARG 35 6.406 0.028 -3.334 287 2HH2 ARG 35 2HH2 ARG 35 7.064 -0.655 -4.789 288 H ASP 36 H ASP 36 9.847 3.705 -0.353 289 HA ASP 36 HA ASP 36 12.493 3.032 -1.028 290 1HB ASP 36 2HB ASP 36 11.563 5.345 -0.785 291 2HB ASP 36 1HB ASP 36 11.599 5.090 0.948 292 H ASP 37 H ASP 37 10.648 2.833 1.919 293 HA ASP 37 HA ASP 37 12.634 1.048 3.077 294 1HB ASP 37 2HB ASP 37 13.176 3.453 3.779 295 2HB ASP 37 1HB ASP 37 11.678 3.408 4.698 296 HA PRO 38 HA PRO 38 8.455 -0.429 3.852 297 1HB PRO 38 2HB PRO 38 9.550 -3.072 3.908 298 2HB PRO 38 1HB PRO 38 8.502 -2.341 2.705 299 1HG PRO 38 2HG PRO 38 11.151 -3.052 2.346 300 2HG PRO 38 1HG PRO 38 10.201 -1.989 1.298 301 1HD PRO 38 2HD PRO 38 12.273 -1.288 3.291 302 2HD PRO 38 1HD PRO 38 11.721 -0.388 1.861 303 H SER 39 H SER 39 11.447 -1.260 5.479 304 HA SER 39 HA SER 39 10.330 -2.486 7.780 305 1HB SER 39 2HB SER 39 12.893 -0.870 7.625 306 2HB SER 39 1HB SER 39 12.483 -2.092 8.825 307 HG SER 39 HG SER 39 13.000 -2.410 6.060 308 H GLN 40 H GLN 40 10.833 0.766 6.712 309 HA GLN 40 HA GLN 40 10.171 2.026 9.227 310 1HB GLN 40 2HB GLN 40 11.802 2.893 7.449 311 2HB GLN 40 1HB GLN 40 10.376 3.331 6.513 312 1HG GLN 40 2HG GLN 40 9.601 4.771 8.347 313 2HG GLN 40 1HG GLN 40 10.993 4.308 9.320 314 1HE2 GLN 40 1HE2 GLN 40 12.369 4.401 6.359 315 2HE2 GLN 40 2HE2 GLN 40 12.794 6.040 6.269 316 H SER 41 H SER 41 8.332 0.499 6.917 317 HA SER 41 HA SER 41 6.274 2.145 6.167 318 1HB SER 41 2HB SER 41 4.904 0.125 6.068 319 2HB SER 41 1HB SER 41 6.535 -0.239 5.532 320 HG SER 41 HG SER 41 6.890 -1.353 7.334 321 H ALA 42 H ALA 42 6.685 0.564 9.308 322 HA ALA 42 HA ALA 42 4.156 1.191 10.426 323 1HB ALA 42 1HB ALA 42 6.820 0.873 11.812 324 2HB ALA 42 2HB ALA 42 5.790 -0.478 11.323 325 3HB ALA 42 3HB ALA 42 5.223 0.668 12.539 326 H ASN 43 H ASN 43 7.251 2.776 10.288 327 HA ASN 43 HA ASN 43 6.734 4.899 12.059 328 1HB ASN 43 2HB ASN 43 8.771 4.083 10.099 329 2HB ASN 43 1HB ASN 43 8.688 5.817 10.422 330 1HD2 ASN 43 1HD2 ASN 43 10.075 2.939 11.517 331 2HD2 ASN 43 2HD2 ASN 43 10.471 3.429 13.093 332 H LEU 44 H LEU 44 6.325 4.417 8.660 333 HA LEU 44 HA LEU 44 5.733 7.114 7.933 334 1HB LEU 44 2HB LEU 44 5.214 4.476 6.520 335 2HB LEU 44 1HB LEU 44 5.253 6.084 5.767 336 HG LEU 44 HG LEU 44 7.549 5.030 7.404 337 1HD1 LEU 44 1HD1 LEU 44 8.558 4.844 4.971 338 2HD1 LEU 44 2HD1 LEU 44 6.878 4.452 4.598 339 3HD1 LEU 44 3HD1 LEU 44 7.768 3.502 5.791 340 1HD2 LEU 44 1HD2 LEU 44 7.137 7.301 5.525 341 2HD2 LEU 44 2HD2 LEU 44 8.733 6.780 6.068 342 3HD2 LEU 44 3HD2 LEU 44 7.539 7.349 7.239 343 H LEU 45 H LEU 45 4.067 4.255 8.753 344 HA LEU 45 HA LEU 45 1.395 5.170 8.370 345 1HB LEU 45 2HB LEU 45 1.669 2.822 8.576 346 2HB LEU 45 1HB LEU 45 2.665 2.980 10.018 347 HG LEU 45 HG LEU 45 0.710 3.783 11.292 348 1HD1 LEU 45 1HD1 LEU 45 -0.656 3.492 8.614 349 2HD1 LEU 45 2HD1 LEU 45 -0.618 4.899 9.674 350 3HD1 LEU 45 3HD1 LEU 45 -1.560 3.481 10.126 351 1HD2 LEU 45 1HD2 LEU 45 1.175 1.391 11.247 352 2HD2 LEU 45 2HD2 LEU 45 0.248 1.208 9.758 353 3HD2 LEU 45 3HD2 LEU 45 -0.568 1.651 11.259 354 H ALA 46 H ALA 46 3.757 5.256 10.903 355 HA ALA 46 HA ALA 46 2.197 6.346 12.976 356 1HB ALA 46 1HB ALA 46 4.213 6.608 14.135 357 2HB ALA 46 2HB ALA 46 5.109 6.961 12.655 358 3HB ALA 46 3HB ALA 46 4.609 5.309 13.011 359 H GLU 47 H GLU 47 4.317 7.688 10.557 360 HA GLU 47 HA GLU 47 4.130 10.400 11.232 361 1HB GLU 47 2HB GLU 47 4.781 8.811 8.786 362 2HB GLU 47 1HB GLU 47 4.654 10.565 8.675 363 1HG GLU 47 2HG GLU 47 6.539 8.962 10.405 364 2HG GLU 47 1HG GLU 47 6.952 9.956 9.012 365 H ALA 48 H ALA 48 2.273 8.262 9.198 366 HA ALA 48 HA ALA 48 0.632 10.220 8.015 367 1HB ALA 48 1HB ALA 48 -0.128 8.429 6.888 368 2HB ALA 48 2HB ALA 48 -0.510 7.561 8.375 369 3HB ALA 48 3HB ALA 48 1.124 7.535 7.739 370 H LYS 49 H LYS 49 0.226 8.022 10.760 371 HA LYS 49 HA LYS 49 -2.361 8.865 11.511 372 1HB LYS 49 2HB LYS 49 -0.083 7.721 13.159 373 2HB LYS 49 1HB LYS 49 -1.715 7.972 13.778 374 1HG LYS 49 2HG LYS 49 -1.278 6.378 11.256 375 2HG LYS 49 1HG LYS 49 -1.082 5.617 12.832 376 1HD LYS 49 2HD LYS 49 -3.368 6.173 13.443 377 2HD LYS 49 1HD LYS 49 -3.574 7.120 11.972 378 1HE LYS 49 2HE LYS 49 -4.607 4.896 11.726 379 2HE LYS 49 1HE LYS 49 -3.255 5.079 10.611 380 1HZ LYS 49 1HZ LYS 49 -3.252 2.937 11.796 381 2HZ LYS 49 2HZ LYS 49 -3.082 3.765 13.270 382 3HZ LYS 49 3HZ LYS 49 -1.854 3.849 12.098 383 H LYS 50 H LYS 50 0.855 10.155 11.981 384 HA LYS 50 HA LYS 50 0.092 12.078 13.941 385 1HB LYS 50 2HB LYS 50 2.396 11.194 13.770 386 2HB LYS 50 1HB LYS 50 2.547 11.966 12.202 387 1HG LYS 50 2HG LYS 50 1.638 13.775 14.357 388 2HG LYS 50 1HG LYS 50 3.256 13.129 14.597 389 1HD LYS 50 2HD LYS 50 2.283 14.572 12.106 390 2HD LYS 50 1HD LYS 50 3.323 15.261 13.347 391 1HE LYS 50 2HE LYS 50 3.970 13.041 11.399 392 2HE LYS 50 1HE LYS 50 4.793 14.581 11.600 393 1HZ LYS 50 1HZ LYS 50 4.770 12.305 13.502 394 2HZ LYS 50 2HZ LYS 50 5.420 13.833 13.862 395 3HZ LYS 50 3HZ LYS 50 6.097 12.889 12.621 396 H LEU 51 H LEU 51 0.595 12.052 10.485 397 HA LEU 51 HA LEU 51 0.163 14.830 10.116 398 1HB LEU 51 2HB LEU 51 0.461 12.461 8.356 399 2HB LEU 51 1HB LEU 51 -0.453 13.809 7.692 400 HG LEU 51 HG LEU 51 1.852 14.095 7.074 401 1HD1 LEU 51 1HD1 LEU 51 0.381 16.047 8.157 402 2HD1 LEU 51 2HD1 LEU 51 2.032 16.315 7.599 403 3HD1 LEU 51 3HD1 LEU 51 1.715 16.051 9.312 404 1HD2 LEU 51 1HD2 LEU 51 3.174 12.874 8.550 405 2HD2 LEU 51 2HD2 LEU 51 2.336 13.492 9.972 406 3HD2 LEU 51 3HD2 LEU 51 3.484 14.514 9.108 407 H ASN 52 H ASN 52 -1.827 11.961 9.876 408 HA ASN 52 HA ASN 52 -4.209 13.176 9.020 409 1HB ASN 52 2HB ASN 52 -4.021 10.834 8.834 410 2HB ASN 52 1HB ASN 52 -3.597 10.635 10.527 411 1HD2 ASN 52 1HD2 ASN 52 -5.345 10.561 12.061 412 2HD2 ASN 52 2HD2 ASN 52 -6.972 10.558 11.578 413 H ASP 53 H ASP 53 -2.896 12.352 12.202 414 HA ASP 53 HA ASP 53 -5.081 13.287 13.702 415 1HB ASP 53 2HB ASP 53 -3.380 11.820 14.668 416 2HB ASP 53 1HB ASP 53 -2.181 13.102 14.525 417 H ALA 54 H ALA 54 -2.161 14.830 12.512 418 HA ALA 54 HA ALA 54 -2.483 17.321 13.797 419 1HB ALA 54 1HB ALA 54 -1.026 16.461 11.297 420 2HB ALA 54 2HB ALA 54 -0.341 16.820 12.880 421 3HB ALA 54 3HB ALA 54 -0.990 18.123 11.885 422 H GLN 55 H GLN 55 -3.602 15.946 10.751 423 HA GLN 55 HA GLN 55 -4.953 18.407 9.940 424 1HB GLN 55 2HB GLN 55 -4.668 15.650 8.741 425 2HB GLN 55 1HB GLN 55 -5.660 16.918 8.006 426 1HG GLN 55 2HG GLN 55 -3.759 18.352 7.706 427 2HG GLN 55 1HG GLN 55 -2.740 17.322 8.710 428 1HE2 GLN 55 1HE2 GLN 55 -2.847 14.864 7.803 429 2HE2 GLN 55 2HE2 GLN 55 -2.563 14.747 6.135 430 H ALA 56 H ALA 56 -5.631 15.969 12.081 431 HA ALA 56 HA ALA 56 -8.408 15.512 11.445 432 1HB ALA 56 1HB ALA 56 -8.455 14.369 13.666 433 2HB ALA 56 2HB ALA 56 -6.790 14.874 13.924 434 3HB ALA 56 3HB ALA 56 -7.177 13.769 12.613 435 HA PRO 57 HA PRO 57 -10.561 18.968 12.993 436 1HB PRO 57 2HB PRO 57 -12.268 17.454 14.727 437 2HB PRO 57 1HB PRO 57 -12.598 18.035 13.091 438 1HG PRO 57 2HG PRO 57 -11.652 15.417 13.994 439 2HG PRO 57 1HG PRO 57 -12.685 15.838 12.619 440 1HD PRO 57 2HD PRO 57 -10.178 15.102 12.216 441 2HD PRO 57 1HD PRO 57 -10.857 16.469 11.298 442 H LYS 58 H LYS 58 -8.951 19.877 14.158 443 HA LYS 58 HA LYS 58 -9.150 19.701 17.075 444 1HB LYS 58 2HB LYS 58 -6.634 19.502 15.482 445 2HB LYS 58 1HB LYS 58 -6.632 19.964 17.176 446 1HG LYS 58 2HG LYS 58 -7.823 17.846 17.721 447 2HG LYS 58 1HG LYS 58 -7.726 17.377 16.024 448 1HD LYS 58 2HD LYS 58 -5.266 17.480 16.126 449 2HD LYS 58 1HD LYS 58 -5.354 17.953 17.823 450 1HE LYS 58 2HE LYS 58 -4.955 15.598 17.833 451 2HE LYS 58 1HE LYS 58 -6.665 15.789 18.213 452 1HZ LYS 58 1HZ LYS 58 -6.133 14.082 16.485 453 2HZ LYS 58 2HZ LYS 58 -5.656 15.352 15.462 454 3HZ LYS 58 3HZ LYS 58 -7.263 15.254 16.009 455 1H VAL 1 1HT VAL 1 -11.435 -6.001 7.648 456 2H VAL 1 2HT VAL 1 -10.343 -4.707 7.509 457 3H VAL 1 3HT VAL 1 -10.746 -5.634 6.142 458 HA VAL 1 HA VAL 1 -12.830 -4.184 7.635 459 HB VAL 1 HB VAL 1 -11.050 -2.546 7.100 460 1HG1 VAL 1 1HG1 VAL 1 -11.497 -3.218 4.182 461 2HG1 VAL 1 2HG1 VAL 1 -10.166 -3.899 5.116 462 3HG1 VAL 1 3HG1 VAL 1 -10.273 -2.156 4.876 463 1HG2 VAL 1 1HG2 VAL 1 -13.503 -1.959 6.917 464 2HG2 VAL 1 2HG2 VAL 1 -13.384 -2.249 5.181 465 3HG2 VAL 1 3HG2 VAL 1 -12.444 -0.956 5.926 466 H ASP 2 H ASP 2 -11.484 -5.507 4.644 467 HA ASP 2 HA ASP 2 -14.080 -5.582 3.320 468 1HB ASP 2 2HB ASP 2 -12.806 -6.521 1.431 469 2HB ASP 2 1HB ASP 2 -12.062 -5.044 2.025 470 H ASN 3 H ASN 3 -13.755 -8.008 1.919 471 HA ASN 3 HA ASN 3 -14.939 -9.848 3.696 472 1HB ASN 3 2HB ASN 3 -14.872 -11.407 1.800 473 2HB ASN 3 1HB ASN 3 -15.433 -9.818 1.292 474 1HD2 ASN 3 1HD2 ASN 3 -13.596 -12.228 0.133 475 2HD2 ASN 3 2HD2 ASN 3 -12.411 -11.348 -0.705 476 H LYS 4 H LYS 4 -13.796 -12.306 3.075 477 HA LYS 4 HA LYS 4 -11.815 -12.553 5.027 478 1HB LYS 4 2HB LYS 4 -11.468 -14.856 4.065 479 2HB LYS 4 1HB LYS 4 -13.117 -14.466 4.537 480 1HG LYS 4 2HG LYS 4 -13.889 -14.610 2.417 481 2HG LYS 4 1HG LYS 4 -12.521 -13.724 1.760 482 1HD LYS 4 2HD LYS 4 -12.459 -16.631 2.604 483 2HD LYS 4 1HD LYS 4 -12.603 -16.069 0.941 484 1HE LYS 4 2HE LYS 4 -10.397 -14.695 1.670 485 2HE LYS 4 1HE LYS 4 -10.231 -16.081 2.743 486 1HZ LYS 4 1HZ LYS 4 -9.432 -16.025 0.179 487 2HZ LYS 4 2HZ LYS 4 -10.960 -16.755 0.035 488 3HZ LYS 4 3HZ LYS 4 -9.781 -17.440 1.048 489 H PHE 5 H PHE 5 -11.502 -11.412 1.872 490 HA PHE 5 HA PHE 5 -8.821 -12.247 1.403 491 1HB PHE 5 2HB PHE 5 -10.749 -10.426 0.048 492 2HB PHE 5 1HB PHE 5 -9.033 -10.241 -0.318 493 HD1 PHE 5 1HD PHE 5 -11.364 -13.084 0.369 494 HD2 PHE 5 2HD PHE 5 -8.332 -11.441 -2.190 495 HE1 PHE 5 1HE PHE 5 -11.457 -15.117 -1.057 496 HE2 PHE 5 2HE PHE 5 -8.417 -13.471 -3.606 497 HZ PHE 5 HZ PHE 5 -9.971 -15.312 -3.034 498 H ASN 6 H ASN 6 -9.933 -10.226 3.727 499 HA ASN 6 HA ASN 6 -8.284 -7.938 3.536 500 1HB ASN 6 2HB ASN 6 -8.432 -7.833 6.012 501 2HB ASN 6 1HB ASN 6 -10.000 -8.056 5.252 502 1HD2 ASN 6 1HD2 ASN 6 -9.011 -11.074 4.826 503 2HD2 ASN 6 2HD2 ASN 6 -9.368 -11.762 6.334 504 H LYS 7 H LYS 7 -7.585 -11.187 4.694 505 HA LYS 7 HA LYS 7 -4.915 -10.674 5.529 506 1HB LYS 7 2HB LYS 7 -6.172 -12.680 6.222 507 2HB LYS 7 1HB LYS 7 -6.228 -13.228 4.553 508 1HG LYS 7 2HG LYS 7 -3.727 -13.303 4.524 509 2HG LYS 7 1HG LYS 7 -3.726 -12.839 6.223 510 1HD LYS 7 2HD LYS 7 -3.496 -15.263 6.059 511 2HD LYS 7 1HD LYS 7 -5.064 -14.872 6.759 512 1HE LYS 7 2HE LYS 7 -5.003 -16.677 4.905 513 2HE LYS 7 1HE LYS 7 -6.222 -15.413 4.761 514 1HZ LYS 7 1HZ LYS 7 -3.585 -15.055 3.501 515 2HZ LYS 7 2HZ LYS 7 -5.084 -14.383 3.066 516 3HZ LYS 7 3HZ LYS 7 -4.754 -16.016 2.736 517 H GLU 8 H GLU 8 -6.438 -11.711 2.523 518 HA GLU 8 HA GLU 8 -4.043 -12.111 1.025 519 1HB GLU 8 2HB GLU 8 -6.970 -11.770 0.308 520 2HB GLU 8 1HB GLU 8 -5.726 -11.914 -0.939 521 1HG GLU 8 2HG GLU 8 -6.121 -14.147 -0.728 522 2HG GLU 8 1HG GLU 8 -5.056 -14.019 0.672 523 H ARG 9 H ARG 9 -6.293 -9.420 1.368 524 HA ARG 9 HA ARG 9 -5.284 -7.779 -0.673 525 1HB ARG 9 2HB ARG 9 -7.510 -7.548 0.466 526 2HB ARG 9 1HB ARG 9 -6.668 -6.874 1.861 527 1HG ARG 9 2HG ARG 9 -5.600 -5.321 -0.088 528 2HG ARG 9 1HG ARG 9 -7.157 -5.676 -0.822 529 1HD ARG 9 2HD ARG 9 -6.764 -4.535 1.955 530 2HD ARG 9 1HD ARG 9 -7.233 -3.612 0.532 531 HE ARG 9 HE ARG 9 -8.884 -5.805 1.641 532 1HH1 ARG 9 1HH1 ARG 9 -9.563 -4.462 -1.023 533 2HH1 ARG 9 2HH1 ARG 9 -10.775 -3.329 -0.528 534 1HH2 ARG 9 1HH2 ARG 9 -9.987 -3.566 2.834 535 2HH2 ARG 9 2HH2 ARG 9 -11.015 -2.821 1.657 536 H VAL 10 H VAL 10 -4.665 -7.734 2.862 537 HA VAL 10 HA VAL 10 -2.964 -5.512 2.828 538 HB VAL 10 HB VAL 10 -3.873 -6.048 4.887 539 1HG1 VAL 10 1HG1 VAL 10 -4.351 -8.043 5.632 540 2HG1 VAL 10 2HG1 VAL 10 -2.649 -8.526 5.629 541 3HG1 VAL 10 3HG1 VAL 10 -3.622 -8.717 4.171 542 1HG2 VAL 10 1HG2 VAL 10 -2.055 -5.965 6.366 543 2HG2 VAL 10 2HG2 VAL 10 -1.381 -5.339 4.848 544 3HG2 VAL 10 3HG2 VAL 10 -1.054 -6.996 5.337 545 H ILE 11 H ILE 11 -2.216 -8.896 2.195 546 HA ILE 11 HA ILE 11 0.634 -8.475 2.134 547 HB ILE 11 HB ILE 11 -1.040 -10.638 0.811 548 1HG1 ILE 11 2HG1 ILE 11 0.078 -10.223 3.534 549 2HG1 ILE 11 1HG1 ILE 11 -1.329 -11.143 3.029 550 1HG2 ILE 11 1HG2 ILE 11 1.939 -10.568 1.398 551 2HG2 ILE 11 2HG2 ILE 11 1.249 -10.259 -0.197 552 3HG2 ILE 11 3HG2 ILE 11 1.061 -11.840 0.553 553 1HD1 ILE 11 1HD1 ILE 11 1.574 -11.999 2.884 554 2HD1 ILE 11 2HD1 ILE 11 0.256 -12.896 2.121 555 3HD1 ILE 11 3HD1 ILE 11 0.298 -12.712 3.873 556 H ALA 12 H ALA 12 -1.994 -8.362 -0.292 557 HA ALA 12 HA ALA 12 -0.297 -7.942 -2.528 558 1HB ALA 12 1HB ALA 12 -3.221 -7.310 -2.091 559 2HB ALA 12 2HB ALA 12 -2.557 -8.715 -2.921 560 3HB ALA 12 3HB ALA 12 -2.394 -7.108 -3.641 561 H ILE 13 H ILE 13 -1.975 -5.767 -0.327 562 HA ILE 13 HA ILE 13 -1.333 -3.361 -1.649 563 HB ILE 13 HB ILE 13 -1.537 -3.902 1.345 564 1HG1 ILE 13 2HG1 ILE 13 -3.700 -2.632 -0.300 565 2HG1 ILE 13 1HG1 ILE 13 -3.570 -4.380 -0.279 566 1HG2 ILE 13 1HG2 ILE 13 -0.481 -1.756 0.934 567 2HG2 ILE 13 2HG2 ILE 13 -2.154 -1.474 1.417 568 3HG2 ILE 13 3HG2 ILE 13 -1.692 -1.352 -0.278 569 1HD1 ILE 13 1HD1 ILE 13 -4.225 -4.523 1.886 570 2HD1 ILE 13 2HD1 ILE 13 -4.990 -2.996 1.514 571 3HD1 ILE 13 3HD1 ILE 13 -3.425 -3.018 2.330 572 H GLY 14 H GLY 14 0.341 -5.598 0.394 573 1HA GLY 14 2HA GLY 14 2.744 -4.110 0.821 574 2HA GLY 14 1HA GLY 14 2.522 -5.840 1.048 575 H GLU 15 H GLU 15 1.752 -6.542 -1.595 576 HA GLU 15 HA GLU 15 4.282 -6.927 -2.764 577 1HB GLU 15 2HB GLU 15 2.037 -8.216 -3.088 578 2HB GLU 15 1HB GLU 15 1.761 -7.046 -4.369 579 1HG GLU 15 2HG GLU 15 3.030 -8.316 -5.745 580 2HG GLU 15 1HG GLU 15 4.414 -7.931 -4.719 581 H ILE 16 H ILE 16 1.603 -4.705 -3.503 582 HA ILE 16 HA ILE 16 2.773 -3.593 -5.833 583 HB ILE 16 HB ILE 16 1.395 -1.749 -3.873 584 1HG1 ILE 16 2HG1 ILE 16 0.043 -3.835 -3.865 585 2HG1 ILE 16 1HG1 ILE 16 -0.809 -2.488 -4.580 586 1HG2 ILE 16 1HG2 ILE 16 0.486 -0.770 -5.900 587 2HG2 ILE 16 2HG2 ILE 16 1.183 -2.052 -6.885 588 3HG2 ILE 16 3HG2 ILE 16 2.232 -0.914 -6.048 589 1HD1 ILE 16 1HD1 ILE 16 -1.061 -4.580 -5.875 590 2HD1 ILE 16 2HD1 ILE 16 0.684 -4.597 -6.138 591 3HD1 ILE 16 3HD1 ILE 16 -0.301 -3.280 -6.801 592 H MET 17 H MET 17 2.981 -2.583 -2.477 593 HA MET 17 HA MET 17 4.806 -0.461 -2.734 594 1HB MET 17 2HB MET 17 4.312 -2.231 -0.361 595 2HB MET 17 1HB MET 17 4.985 -0.594 -0.354 596 1HG MET 17 2HG MET 17 2.253 -1.254 -1.455 597 2HG MET 17 1HG MET 17 2.514 -0.710 0.194 598 1HE MET 17 1HE MET 17 3.581 2.600 0.224 599 2HE MET 17 2HE MET 17 4.978 1.798 -0.495 600 3HE MET 17 3HE MET 17 4.005 0.942 0.722 601 H ARG 18 H ARG 18 5.309 -3.938 -2.617 602 HA ARG 18 HA ARG 18 8.080 -3.878 -1.927 603 1HB ARG 18 2HB ARG 18 6.392 -5.927 -3.295 604 2HB ARG 18 1HB ARG 18 8.088 -6.178 -2.968 605 1HG ARG 18 2HG ARG 18 6.528 -5.250 -0.648 606 2HG ARG 18 1HG ARG 18 6.054 -6.829 -1.261 607 1HD ARG 18 2HD ARG 18 8.938 -6.118 -0.712 608 2HD ARG 18 1HD ARG 18 7.887 -6.798 0.526 609 HE ARG 18 HE ARG 18 9.082 -8.224 -1.660 610 1HH1 ARG 18 1HH2 ARG 18 8.568 -9.629 0.856 611 2HH1 ARG 18 2HH2 ARG 18 7.179 -10.601 0.510 612 1HH2 ARG 18 1HH1 ARG 18 6.293 -8.800 -2.313 613 2HH2 ARG 18 2HH1 ARG 18 5.891 -10.132 -1.284 614 H LEU 19 H LEU 19 6.261 -3.885 -4.939 615 HA LEU 19 HA LEU 19 8.337 -4.250 -6.775 616 1HB LEU 19 2HB LEU 19 5.832 -2.612 -7.098 617 2HB LEU 19 1HB LEU 19 6.845 -3.173 -8.399 618 HG LEU 19 HG LEU 19 5.424 -4.986 -6.439 619 1HD1 LEU 19 1HD1 LEU 19 3.708 -3.970 -7.733 620 2HD1 LEU 19 2HD1 LEU 19 4.024 -5.514 -8.509 621 3HD1 LEU 19 3HD1 LEU 19 4.681 -4.035 -9.204 622 1HD2 LEU 19 1HD2 LEU 19 6.686 -6.587 -7.327 623 2HD2 LEU 19 2HD2 LEU 19 7.485 -5.406 -8.360 624 3HD2 LEU 19 3HD2 LEU 19 6.021 -6.215 -8.915 625 HA PRO 20 HA PRO 20 10.328 -0.280 -6.027 626 1HB PRO 20 2HB PRO 20 12.606 -1.287 -7.478 627 2HB PRO 20 1HB PRO 20 12.442 -1.015 -5.740 628 1HG PRO 20 2HG PRO 20 12.704 -3.462 -6.931 629 2HG PRO 20 1HG PRO 20 11.990 -3.183 -5.334 630 1HD PRO 20 2HD PRO 20 10.630 -3.664 -7.951 631 2HD PRO 20 1HD PRO 20 10.179 -4.205 -6.318 632 H ASN 21 H ASN 21 9.426 -1.785 -8.961 633 HA ASN 21 HA ASN 21 10.485 0.322 -10.688 634 1HB ASN 21 2HB ASN 21 8.588 -1.472 -11.961 635 2HB ASN 21 1HB ASN 21 10.256 -1.126 -12.375 636 1HD2 ASN 21 1HD2 ASN 21 11.306 -3.086 -12.496 637 2HD2 ASN 21 2HD2 ASN 21 11.182 -4.337 -11.357 638 H LEU 22 H LEU 22 7.497 -0.554 -9.098 639 HA LEU 22 HA LEU 22 5.754 0.951 -10.764 640 1HB LEU 22 2HB LEU 22 5.375 0.185 -7.875 641 2HB LEU 22 1HB LEU 22 4.127 0.823 -8.923 642 HG LEU 22 HG LEU 22 5.502 -1.850 -9.032 643 1HD1 LEU 22 1HD1 LEU 22 2.666 -0.844 -8.801 644 2HD1 LEU 22 2HD1 LEU 22 3.526 -1.930 -7.717 645 3HD1 LEU 22 3HD1 LEU 22 3.005 -2.499 -9.307 646 1HD2 LEU 22 1HD2 LEU 22 4.049 -2.091 -11.142 647 2HD2 LEU 22 2HD2 LEU 22 5.600 -1.263 -11.279 648 3HD2 LEU 22 3HD2 LEU 22 4.093 -0.336 -11.180 649 H ASN 23 H ASN 23 4.685 2.844 -10.355 650 HA ASN 23 HA ASN 23 6.296 4.938 -9.114 651 1HB ASN 23 2HB ASN 23 5.523 5.797 -11.088 652 2HB ASN 23 1HB ASN 23 4.203 4.680 -11.185 653 1HD2 ASN 23 1HD2 ASN 23 5.088 7.372 -8.981 654 2HD2 ASN 23 2HD2 ASN 23 3.566 8.108 -9.067 655 H SER 24 H SER 24 5.286 6.366 -7.481 656 HA SER 24 HA SER 24 3.923 4.957 -5.457 657 1HB SER 24 2HB SER 24 5.251 7.140 -5.270 658 2HB SER 24 1HB SER 24 3.776 7.942 -5.771 659 HG SER 24 HG SER 24 4.270 7.464 -3.388 660 H LEU 25 H LEU 25 2.781 7.163 -7.956 661 HA LEU 25 HA LEU 25 0.051 7.091 -7.218 662 1HB LEU 25 2HB LEU 25 1.632 8.212 -9.415 663 2HB LEU 25 1HB LEU 25 0.036 7.703 -9.895 664 HG LEU 25 HG LEU 25 0.677 9.532 -7.616 665 1HD1 LEU 25 1HD1 LEU 25 0.992 10.592 -9.823 666 2HD1 LEU 25 2HD1 LEU 25 -0.423 11.254 -9.006 667 3HD1 LEU 25 3HD1 LEU 25 -0.625 10.072 -10.298 668 1HD2 LEU 25 1HD2 LEU 25 -1.635 7.946 -8.348 669 2HD2 LEU 25 2HD2 LEU 25 -2.034 9.665 -8.239 670 3HD2 LEU 25 3HD2 LEU 25 -1.318 8.832 -6.857 671 H GLN 26 H GLN 26 2.046 5.160 -9.412 672 HA GLN 26 HA GLN 26 -0.052 3.668 -10.605 673 1HB GLN 26 2HB GLN 26 2.864 3.122 -10.111 674 2HB GLN 26 1HB GLN 26 1.820 1.890 -10.802 675 1HG GLN 26 2HG GLN 26 1.247 3.395 -12.654 676 2HG GLN 26 1HG GLN 26 2.282 4.656 -11.958 677 1HE2 GLN 26 1HE2 GLN 26 3.852 1.827 -11.228 678 2HE2 GLN 26 2HE2 GLN 26 4.846 1.700 -12.597 679 H VAL 27 H VAL 27 1.901 3.347 -7.752 680 HA VAL 27 HA VAL 27 1.004 0.825 -6.918 681 HB VAL 27 HB VAL 27 2.380 3.118 -5.547 682 1HG1 VAL 27 1HG1 VAL 27 1.290 0.590 -4.345 683 2HG1 VAL 27 2HG1 VAL 27 1.365 2.211 -3.659 684 3HG1 VAL 27 3HG1 VAL 27 2.827 1.237 -3.772 685 1HG2 VAL 27 1HG2 VAL 27 3.792 0.640 -5.549 686 2HG2 VAL 27 2HG2 VAL 27 4.163 2.099 -6.467 687 3HG2 VAL 27 3HG2 VAL 27 3.111 0.867 -7.160 688 H VAL 28 H VAL 28 0.002 4.106 -6.095 689 HA VAL 28 HA VAL 28 -2.068 3.405 -4.333 690 HB VAL 28 HB VAL 28 -1.820 5.807 -6.171 691 1HG1 VAL 28 1HG1 VAL 28 -3.253 6.203 -3.679 692 2HG1 VAL 28 2HG1 VAL 28 -3.984 4.904 -4.620 693 3HG1 VAL 28 3HG1 VAL 28 -3.792 6.505 -5.331 694 1HG2 VAL 28 1HG2 VAL 28 -1.328 6.198 -3.306 695 2HG2 VAL 28 2HG2 VAL 28 -0.339 6.683 -4.688 696 3HG2 VAL 28 3HG2 VAL 28 -0.186 5.059 -4.021 697 H ALA 29 H ALA 29 -1.792 3.562 -7.836 698 HA ALA 29 HA ALA 29 -4.500 3.439 -8.562 699 1HB ALA 29 1HB ALA 29 -2.653 1.872 -10.251 700 2HB ALA 29 2HB ALA 29 -2.103 3.516 -9.922 701 3HB ALA 29 3HB ALA 29 -3.676 3.248 -10.674 702 H PHE 30 H PHE 30 -2.102 0.902 -7.863 703 HA PHE 30 HA PHE 30 -3.915 -1.229 -8.267 704 1HB PHE 30 2HB PHE 30 -1.176 -1.042 -6.967 705 2HB PHE 30 1HB PHE 30 -2.020 -2.543 -7.336 706 HD1 PHE 30 1HD PHE 30 -3.170 -2.283 -9.944 707 HD2 PHE 30 2HD PHE 30 0.561 -0.628 -8.528 708 HE1 PHE 30 1HE PHE 30 -2.353 -2.084 -12.249 709 HE2 PHE 30 2HE PHE 30 1.343 -0.449 -10.841 710 HZ PHE 30 HZ PHE 30 -0.110 -1.187 -12.709 711 H ILE 31 H ILE 31 -2.602 0.465 -5.392 712 HA ILE 31 HA ILE 31 -3.826 -1.145 -3.435 713 HB ILE 31 HB ILE 31 -3.243 1.832 -3.335 714 1HG1 ILE 31 2HG1 ILE 31 -1.610 -0.418 -2.131 715 2HG1 ILE 31 1HG1 ILE 31 -1.288 0.192 -3.746 716 1HG2 ILE 31 1HG2 ILE 31 -3.852 -0.184 -1.155 717 2HG2 ILE 31 2HG2 ILE 31 -4.815 1.229 -1.579 718 3HG2 ILE 31 3HG2 ILE 31 -3.224 1.433 -0.850 719 1HD1 ILE 31 1HD1 ILE 31 -0.814 2.392 -2.924 720 2HD1 ILE 31 2HD1 ILE 31 0.079 1.284 -1.874 721 3HD1 ILE 31 3HD1 ILE 31 -1.441 2.001 -1.322 722 H ASN 32 H ASN 32 -4.972 1.807 -5.021 723 HA ASN 32 HA ASN 32 -7.480 1.977 -3.770 724 1HB ASN 32 2HB ASN 32 -6.300 3.700 -5.272 725 2HB ASN 32 1HB ASN 32 -6.932 2.785 -6.634 726 1HD2 ASN 32 1HD2 ASN 32 -7.769 5.385 -6.394 727 2HD2 ASN 32 2HD2 ASN 32 -9.384 5.454 -5.874 728 H SER 33 H SER 33 -6.299 -0.041 -6.427 729 HA SER 33 HA SER 33 -8.923 -0.847 -7.221 730 1HB SER 33 2HB SER 33 -6.163 -1.550 -8.080 731 2HB SER 33 1HB SER 33 -7.518 -2.583 -8.544 732 HG SER 33 HG SER 33 -8.443 -0.317 -9.075 733 H LEU 34 H LEU 34 -6.477 -1.870 -4.946 734 HA LEU 34 HA LEU 34 -7.487 -4.507 -4.415 735 1HB LEU 34 2HB LEU 34 -6.168 -2.584 -2.438 736 2HB LEU 34 1HB LEU 34 -6.318 -4.323 -2.252 737 HG LEU 34 HG LEU 34 -4.743 -2.960 -4.440 738 1HD1 LEU 34 1HD1 LEU 34 -2.757 -3.633 -3.335 739 2HD1 LEU 34 2HD1 LEU 34 -3.664 -4.570 -2.151 740 3HD1 LEU 34 3HD1 LEU 34 -3.745 -2.804 -2.143 741 1HD2 LEU 34 1HD2 LEU 34 -5.117 -5.815 -3.662 742 2HD2 LEU 34 2HD2 LEU 34 -3.881 -5.273 -4.786 743 3HD2 LEU 34 3HD2 LEU 34 -5.579 -5.051 -5.160 744 H ARG 35 H ARG 35 -8.020 -1.276 -3.308 745 HA ARG 35 HA ARG 35 -10.100 -1.601 -1.400 746 1HB ARG 35 2HB ARG 35 -8.650 0.496 -2.563 747 2HB ARG 35 1HB ARG 35 -10.299 0.797 -3.081 748 1HG ARG 35 2HG ARG 35 -10.959 1.427 -1.012 749 2HG ARG 35 1HG ARG 35 -10.092 0.114 -0.223 750 1HD ARG 35 2HD ARG 35 -7.989 1.615 -1.021 751 2HD ARG 35 1HD ARG 35 -9.198 2.883 -0.849 752 HE ARG 35 HE ARG 35 -8.007 1.304 1.284 753 1HH1 ARG 35 1HH2 ARG 35 -10.913 1.184 1.847 754 2HH1 ARG 35 2HH2 ARG 35 -11.201 2.639 2.744 755 1HH2 ARG 35 1HH1 ARG 35 -8.239 4.139 1.757 756 2HH2 ARG 35 2HH1 ARG 35 -9.687 4.311 2.691 757 H ASP 36 H ASP 36 -10.167 -0.913 -4.864 758 HA ASP 36 HA ASP 36 -12.958 -0.800 -5.206 759 1HB ASP 36 2HB ASP 36 -10.740 -1.526 -7.133 760 2HB ASP 36 1HB ASP 36 -12.401 -1.192 -7.616 761 H ASP 37 H ASP 37 -10.659 -3.471 -5.376 762 HA ASP 37 HA ASP 37 -12.848 -5.386 -5.111 763 1HB ASP 37 2HB ASP 37 -10.902 -6.229 -7.159 764 2HB ASP 37 1HB ASP 37 -12.650 -6.408 -7.126 765 HA PRO 38 HA PRO 38 -9.375 -6.535 -2.446 766 1HB PRO 38 2HB PRO 38 -11.266 -7.977 -0.860 767 2HB PRO 38 1HB PRO 38 -10.386 -6.508 -0.448 768 1HG PRO 38 2HG PRO 38 -13.126 -6.752 -0.949 769 2HG PRO 38 1HG PRO 38 -12.204 -5.255 -0.771 770 1HD PRO 38 2HD PRO 38 -13.298 -6.462 -3.199 771 2HD PRO 38 1HD PRO 38 -12.668 -4.821 -2.946 772 H SER 39 H SER 39 -12.011 -8.468 -3.735 773 HA SER 39 HA SER 39 -10.879 -11.036 -3.331 774 1HB SER 39 2HB SER 39 -12.826 -10.140 -5.475 775 2HB SER 39 1HB SER 39 -12.528 -11.799 -4.963 776 HG SER 39 HG SER 39 -13.087 -10.830 -2.769 777 H GLN 40 H GLN 40 -10.720 -8.623 -5.889 778 HA GLN 40 HA GLN 40 -8.855 -10.269 -7.396 779 1HB GLN 40 2HB GLN 40 -9.489 -7.647 -8.517 780 2HB GLN 40 1HB GLN 40 -9.486 -9.222 -9.265 781 1HG GLN 40 2HG GLN 40 -11.667 -9.766 -8.350 782 2HG GLN 40 1HG GLN 40 -11.697 -8.265 -7.434 783 1HE2 GLN 40 1HE2 GLN 40 -10.731 -6.459 -9.403 784 2HE2 GLN 40 2HE2 GLN 40 -11.859 -6.380 -10.669 785 H SER 41 H SER 41 -8.254 -8.863 -4.778 786 HA SER 41 HA SER 41 -6.607 -6.653 -5.214 787 1HB SER 41 2HB SER 41 -6.594 -8.900 -3.205 788 2HB SER 41 1HB SER 41 -5.304 -7.708 -3.194 789 HG SER 41 HG SER 41 -7.152 -6.143 -3.235 790 H ALA 42 H ALA 42 -6.139 -10.033 -5.733 791 HA ALA 42 HA ALA 42 -3.326 -10.009 -6.225 792 1HB ALA 42 1HB ALA 42 -5.357 -12.000 -7.228 793 2HB ALA 42 2HB ALA 42 -4.798 -11.978 -5.553 794 3HB ALA 42 3HB ALA 42 -3.650 -12.279 -6.862 795 H ASN 43 H ASN 43 -6.185 -9.370 -8.095 796 HA ASN 43 HA ASN 43 -5.197 -9.832 -10.692 797 1HB ASN 43 2HB ASN 43 -7.565 -9.673 -9.859 798 2HB ASN 43 1HB ASN 43 -7.352 -7.925 -9.966 799 1HD2 ASN 43 1HD2 ASN 43 -6.460 -7.181 -12.225 800 2HD2 ASN 43 2HD2 ASN 43 -7.092 -7.981 -13.582 801 H LEU 44 H LEU 44 -5.805 -6.778 -8.964 802 HA LEU 44 HA LEU 44 -4.510 -5.317 -11.002 803 1HB LEU 44 2HB LEU 44 -4.952 -3.309 -9.721 804 2HB LEU 44 1HB LEU 44 -6.382 -4.311 -9.760 805 HG LEU 44 HG LEU 44 -5.924 -3.266 -7.569 806 1HD1 LEU 44 1HD1 LEU 44 -7.030 -5.595 -8.132 807 2HD1 LEU 44 2HD1 LEU 44 -6.931 -4.900 -6.521 808 3HD1 LEU 44 3HD1 LEU 44 -5.755 -6.117 -7.038 809 1HD2 LEU 44 1HD2 LEU 44 -4.088 -3.583 -6.355 810 2HD2 LEU 44 2HD2 LEU 44 -3.368 -3.842 -7.926 811 3HD2 LEU 44 3HD2 LEU 44 -3.859 -5.221 -6.934 812 H LEU 45 H LEU 45 -3.651 -6.892 -8.080 813 HA LEU 45 HA LEU 45 -1.102 -5.677 -7.710 814 1HB LEU 45 2HB LEU 45 -2.107 -7.002 -5.936 815 2HB LEU 45 1HB LEU 45 -2.176 -8.413 -6.987 816 HG LEU 45 HG LEU 45 0.446 -7.046 -6.439 817 1HD1 LEU 45 1HD1 LEU 45 0.613 -8.928 -4.640 818 2HD1 LEU 45 2HD1 LEU 45 -1.148 -8.856 -4.661 819 3HD1 LEU 45 3HD1 LEU 45 -0.210 -7.415 -4.273 820 1HD2 LEU 45 1HD2 LEU 45 -0.510 -9.688 -7.483 821 2HD2 LEU 45 2HD2 LEU 45 1.024 -9.639 -6.614 822 3HD2 LEU 45 3HD2 LEU 45 0.796 -8.655 -8.055 823 H ALA 46 H ALA 46 -2.522 -8.270 -9.523 824 HA ALA 46 HA ALA 46 -0.193 -9.423 -10.667 825 1HB ALA 46 1HB ALA 46 -3.075 -9.631 -11.011 826 2HB ALA 46 2HB ALA 46 -1.825 -10.790 -11.462 827 3HB ALA 46 3HB ALA 46 -2.294 -9.518 -12.587 828 H GLU 47 H GLU 47 -2.336 -6.780 -11.504 829 HA GLU 47 HA GLU 47 -1.126 -5.963 -13.915 830 1HB GLU 47 2HB GLU 47 -2.735 -4.388 -11.880 831 2HB GLU 47 1HB GLU 47 -2.239 -3.768 -13.445 832 1HG GLU 47 2HG GLU 47 -4.032 -6.137 -12.927 833 2HG GLU 47 1HG GLU 47 -4.538 -4.557 -13.496 834 H ALA 48 H ALA 48 -0.493 -5.420 -10.510 835 HA ALA 48 HA ALA 48 1.271 -3.208 -10.808 836 1HB ALA 48 1HB ALA 48 1.428 -3.367 -8.526 837 2HB ALA 48 2HB ALA 48 1.461 -5.134 -8.552 838 3HB ALA 48 3HB ALA 48 -0.064 -4.271 -8.774 839 H LYS 49 H LYS 49 1.746 -6.653 -10.193 840 HA LYS 49 HA LYS 49 4.571 -6.589 -10.202 841 1HB LYS 49 2HB LYS 49 2.517 -8.742 -10.595 842 2HB LYS 49 1HB LYS 49 4.242 -9.094 -10.661 843 1HG LYS 49 2HG LYS 49 4.414 -7.997 -8.378 844 2HG LYS 49 1HG LYS 49 2.655 -7.990 -8.340 845 1HD LYS 49 2HD LYS 49 4.463 -10.416 -8.553 846 2HD LYS 49 1HD LYS 49 3.435 -9.985 -7.196 847 1HE LYS 49 2HE LYS 49 1.919 -11.381 -8.144 848 2HE LYS 49 1HE LYS 49 1.623 -10.064 -9.275 849 1HZ LYS 49 1HZ LYS 49 3.356 -10.985 -10.711 850 2HZ LYS 49 2HZ LYS 49 2.088 -12.089 -10.462 851 3HZ LYS 49 3HZ LYS 49 3.561 -12.282 -9.636 852 H LYS 50 H LYS 50 2.103 -6.842 -12.621 853 HA LYS 50 HA LYS 50 3.765 -7.468 -14.849 854 1HB LYS 50 2HB LYS 50 1.300 -7.785 -14.761 855 2HB LYS 50 1HB LYS 50 1.121 -6.035 -14.772 856 1HG LYS 50 2HG LYS 50 2.060 -5.856 -16.967 857 2HG LYS 50 1HG LYS 50 2.632 -7.524 -16.927 858 1HD LYS 50 2HD LYS 50 0.615 -7.427 -18.287 859 2HD LYS 50 1HD LYS 50 0.274 -8.302 -16.796 860 1HE LYS 50 2HE LYS 50 -1.447 -6.522 -17.580 861 2HE LYS 50 1HE LYS 50 -0.970 -6.526 -15.887 862 1HZ LYS 50 1HZ LYS 50 0.489 -4.719 -16.248 863 2HZ LYS 50 2HZ LYS 50 -0.978 -4.304 -16.997 864 3HZ LYS 50 3HZ LYS 50 0.339 -4.829 -17.934 865 H LEU 51 H LEU 51 2.544 -4.488 -13.362 866 HA LEU 51 HA LEU 51 3.693 -2.726 -15.304 867 1HB LEU 51 2HB LEU 51 2.249 -2.460 -12.761 868 2HB LEU 51 1HB LEU 51 3.526 -1.265 -12.955 869 HG LEU 51 HG LEU 51 1.284 -0.600 -13.895 870 1HD1 LEU 51 1HD1 LEU 51 3.922 -0.553 -15.265 871 2HD1 LEU 51 2HD1 LEU 51 2.902 0.788 -14.710 872 3HD1 LEU 51 3HD1 LEU 51 2.525 -0.042 -16.224 873 1HD2 LEU 51 1HD2 LEU 51 0.270 -1.837 -15.515 874 2HD2 LEU 51 2HD2 LEU 51 1.369 -3.130 -15.032 875 3HD2 LEU 51 3HD2 LEU 51 1.785 -2.083 -16.387 876 H ASN 52 H ASN 52 4.672 -4.096 -12.275 877 HA ASN 52 HA ASN 52 7.117 -2.724 -11.928 878 1HB ASN 52 2HB ASN 52 7.101 -3.988 -10.068 879 2HB ASN 52 1HB ASN 52 5.727 -4.880 -10.676 880 1HD2 ASN 52 1HD2 ASN 52 9.269 -4.802 -11.320 881 2HD2 ASN 52 2HD2 ASN 52 9.452 -6.486 -11.320 882 H ASP 53 H ASP 53 6.043 -5.584 -13.562 883 HA ASP 53 HA ASP 53 8.578 -6.380 -14.637 884 1HB ASP 53 2HB ASP 53 6.273 -7.672 -14.514 885 2HB ASP 53 1HB ASP 53 6.034 -6.963 -16.108 886 H ALA 54 H ALA 54 6.031 -4.232 -15.708 887 HA ALA 54 HA ALA 54 6.903 -3.806 -18.364 888 1HB ALA 54 1HB ALA 54 5.412 -1.760 -16.753 889 2HB ALA 54 2HB ALA 54 4.638 -3.272 -17.228 890 3HB ALA 54 3HB ALA 54 5.245 -2.166 -18.461 891 H GLN 55 H GLN 55 7.599 -2.158 -15.303 892 HA GLN 55 HA GLN 55 9.321 -0.215 -16.645 893 1HB GLN 55 2HB GLN 55 8.448 -0.547 -13.816 894 2HB GLN 55 1HB GLN 55 9.494 0.744 -14.366 895 1HG GLN 55 2HG GLN 55 7.795 1.789 -15.547 896 2HG GLN 55 1HG GLN 55 6.910 0.285 -15.801 897 1HE2 GLN 55 1HE2 GLN 55 6.253 -0.748 -13.506 898 2HE2 GLN 55 2HE2 GLN 55 5.507 0.352 -12.449 899 H ALA 56 H ALA 56 9.606 -3.294 -15.414 900 HA ALA 56 HA ALA 56 12.121 -3.126 -14.063 901 1HB ALA 56 1HB ALA 56 11.053 -5.104 -13.530 902 2HB ALA 56 2HB ALA 56 12.125 -5.674 -14.805 903 3HB ALA 56 3HB ALA 56 10.435 -5.333 -15.162 904 HA PRO 57 HA PRO 57 14.941 -3.101 -17.364 905 1HB PRO 57 2HB PRO 57 16.826 -4.918 -16.156 906 2HB PRO 57 1HB PRO 57 16.826 -3.152 -16.117 907 1HG PRO 57 2HG PRO 57 16.400 -4.759 -13.946 908 2HG PRO 57 1HG PRO 57 15.876 -3.075 -14.082 909 1HD PRO 57 2HD PRO 57 14.284 -5.583 -14.467 910 2HD PRO 57 1HD PRO 57 13.818 -4.049 -13.691 911 H LYS 58 H LYS 58 12.917 -4.963 -17.828 912 HA LYS 58 HA LYS 58 13.863 -7.499 -18.672 913 1HB LYS 58 2HB LYS 58 11.382 -5.962 -18.894 914 2HB LYS 58 1HB LYS 58 11.648 -7.095 -20.211 915 1HG LYS 58 2HG LYS 58 10.500 -8.362 -18.570 916 2HG LYS 58 1HG LYS 58 12.191 -8.822 -18.366 917 1HD LYS 58 2HD LYS 58 12.323 -6.949 -16.602 918 2HD LYS 58 1HD LYS 58 10.562 -6.916 -16.672 919 1HE LYS 58 2HE LYS 58 12.362 -9.149 -15.742 920 2HE LYS 58 1HE LYS 58 11.004 -8.405 -14.900 921 1HZ LYS 58 1HZ LYS 58 10.983 -10.380 -17.076 922 2HZ LYS 58 2HZ LYS 58 9.669 -9.316 -16.910 923 3HZ LYS 58 3HZ LYS 58 10.087 -10.357 -15.636 Start of MODEL 21 1 1H VAL 1 1HT VAL 1 10.708 -17.302 3.835 2 2H VAL 1 2HT VAL 1 11.118 -17.449 5.478 3 3H VAL 1 3HT VAL 1 12.316 -17.602 4.284 4 HA VAL 1 HA VAL 1 12.612 -15.464 5.160 5 HB VAL 1 HB VAL 1 10.900 -15.230 2.656 6 1HG1 VAL 1 1HG1 VAL 1 12.940 -13.394 3.946 7 2HG1 VAL 1 2HG1 VAL 1 11.258 -13.035 3.558 8 3HG1 VAL 1 3HG1 VAL 1 12.438 -13.231 2.263 9 1HG2 VAL 1 1HG2 VAL 1 13.866 -15.764 3.045 10 2HG2 VAL 1 2HG2 VAL 1 13.141 -15.323 1.500 11 3HG2 VAL 1 3HG2 VAL 1 12.688 -16.834 2.286 12 H ASP 2 H ASP 2 11.783 -13.598 6.116 13 HA ASP 2 HA ASP 2 9.184 -13.851 7.322 14 1HB ASP 2 2HB ASP 2 11.012 -12.864 8.591 15 2HB ASP 2 1HB ASP 2 11.208 -11.597 7.383 16 H ASN 3 H ASN 3 7.337 -13.237 6.453 17 HA ASN 3 HA ASN 3 7.336 -11.246 4.273 18 1HB ASN 3 2HB ASN 3 5.208 -13.250 5.076 19 2HB ASN 3 1HB ASN 3 5.130 -12.160 3.692 20 1HD2 ASN 3 1HD2 ASN 3 5.490 -15.295 4.112 21 2HD2 ASN 3 2HD2 ASN 3 6.713 -15.661 2.994 22 H LYS 4 H LYS 4 7.032 -11.270 7.523 23 HA LYS 4 HA LYS 4 4.599 -9.954 8.047 24 1HB LYS 4 2HB LYS 4 6.007 -10.940 9.822 25 2HB LYS 4 1HB LYS 4 7.224 -9.695 9.545 26 1HG LYS 4 2HG LYS 4 5.945 -8.930 11.404 27 2HG LYS 4 1HG LYS 4 5.366 -7.987 10.033 28 1HD LYS 4 2HD LYS 4 3.451 -9.491 9.765 29 2HD LYS 4 1HD LYS 4 4.054 -10.520 11.062 30 1HE LYS 4 2HE LYS 4 3.385 -7.588 11.452 31 2HE LYS 4 1HE LYS 4 2.225 -8.885 11.739 32 1HZ LYS 4 1HZ LYS 4 3.243 -8.431 13.796 33 2HZ LYS 4 2HZ LYS 4 4.802 -8.412 13.121 34 3HZ LYS 4 3HZ LYS 4 3.947 -9.874 13.249 35 H PHE 5 H PHE 5 7.838 -8.626 7.371 36 HA PHE 5 HA PHE 5 7.193 -5.933 7.589 37 1HB PHE 5 2HB PHE 5 9.259 -5.468 6.652 38 2HB PHE 5 1HB PHE 5 9.514 -7.097 7.265 39 HD1 PHE 5 1HD PHE 5 9.478 -4.981 4.333 40 HD2 PHE 5 2HD PHE 5 9.236 -9.066 5.650 41 HE1 PHE 5 1HE PHE 5 10.048 -5.754 2.050 42 HE2 PHE 5 2HE PHE 5 9.807 -9.834 3.362 43 HZ PHE 5 HZ PHE 5 10.215 -8.180 1.565 44 H ASN 6 H ASN 6 6.861 -8.188 4.871 45 HA ASN 6 HA ASN 6 6.039 -6.286 2.921 46 1HB ASN 6 2HB ASN 6 6.794 -8.633 2.462 47 2HB ASN 6 1HB ASN 6 5.273 -9.200 3.142 48 1HD2 ASN 6 1HD2 ASN 6 4.593 -10.095 1.093 49 2HD2 ASN 6 2HD2 ASN 6 4.114 -9.096 -0.199 50 H LYS 7 H LYS 7 4.372 -8.356 5.228 51 HA LYS 7 HA LYS 7 1.715 -7.795 4.499 52 1HB LYS 7 2HB LYS 7 2.791 -9.546 6.195 53 2HB LYS 7 1HB LYS 7 2.503 -8.260 7.357 54 1HG LYS 7 2HG LYS 7 0.552 -9.574 7.457 55 2HG LYS 7 1HG LYS 7 0.096 -8.214 6.438 56 1HD LYS 7 2HD LYS 7 0.465 -9.531 4.430 57 2HD LYS 7 1HD LYS 7 1.093 -10.873 5.385 58 1HE LYS 7 2HE LYS 7 -1.722 -9.776 5.607 59 2HE LYS 7 1HE LYS 7 -1.271 -11.210 4.697 60 1HZ LYS 7 1HZ LYS 7 -1.193 -10.784 7.614 61 2HZ LYS 7 2HZ LYS 7 -0.242 -11.986 6.883 62 3HZ LYS 7 3HZ LYS 7 -1.935 -12.037 6.745 63 H GLU 8 H GLU 8 3.962 -6.399 6.806 64 HA GLU 8 HA GLU 8 2.162 -4.397 7.704 65 1HB GLU 8 2HB GLU 8 5.146 -4.767 8.021 66 2HB GLU 8 1HB GLU 8 4.245 -3.434 8.767 67 1HG GLU 8 2HG GLU 8 3.824 -6.402 9.239 68 2HG GLU 8 1HG GLU 8 4.465 -5.238 10.390 69 H LEU 9 H LEU 9 4.720 -4.496 5.332 70 HA LEU 9 HA LEU 9 4.848 -1.729 4.672 71 1HB LEU 9 2HB LEU 9 6.551 -3.283 3.865 72 2HB LEU 9 1HB LEU 9 5.336 -4.213 2.989 73 HG LEU 9 HG LEU 9 4.825 -1.976 1.756 74 1HD1 LEU 9 1HD1 LEU 9 7.595 -1.142 1.938 75 2HD1 LEU 9 2HD1 LEU 9 6.788 -0.974 3.504 76 3HD1 LEU 9 3HD1 LEU 9 6.131 -0.201 2.053 77 1HD2 LEU 9 1HD2 LEU 9 5.851 -3.870 0.674 78 2HD2 LEU 9 2HD2 LEU 9 7.423 -3.453 1.357 79 3HD2 LEU 9 3HD2 LEU 9 6.661 -2.390 0.170 80 H GLY 10 H GLY 10 2.840 -4.407 3.625 81 1HA GLY 10 2HA GLY 10 1.334 -2.874 1.785 82 2HA GLY 10 1HA GLY 10 0.965 -4.489 2.358 83 H TRP 11 H TRP 11 0.919 -4.024 5.126 84 HA TRP 11 HA TRP 11 -1.669 -3.028 5.254 85 1HB TRP 11 2HB TRP 11 -0.505 -4.779 6.820 86 2HB TRP 11 1HB TRP 11 -0.304 -3.338 7.821 87 HD1 TRP 11 HD TRP 11 -2.172 -3.867 9.541 88 HE1 TRP 11 1HE TRP 11 -4.744 -3.975 9.421 89 HE3 TRP 11 3HE TRP 11 -2.934 -3.797 4.449 90 HZ2 TRP 11 2HZ TRP 11 -6.826 -3.952 7.482 91 HZ3 TRP 11 3HZ TRP 11 -5.162 -3.792 3.507 92 HH2 TRP 11 HH TRP 11 -7.152 -3.891 5.018 93 H ALA 12 H ALA 12 1.258 -1.672 6.613 94 HA ALA 12 HA ALA 12 -0.017 0.521 7.742 95 1HB ALA 12 1HB ALA 12 2.078 1.063 8.356 96 2HB ALA 12 2HB ALA 12 2.610 1.207 6.682 97 3HB ALA 12 3HB ALA 12 2.607 -0.363 7.486 98 H THR 13 H THR 13 1.068 -0.118 4.444 99 HA THR 13 HA THR 13 0.711 2.403 3.249 100 HB THR 13 HB THR 13 0.458 -0.428 2.309 101 HG1 THR 13 1HG THR 13 2.501 0.223 2.585 102 1HG2 THR 13 1HG2 THR 13 0.452 0.630 -0.020 103 2HG2 THR 13 2HG2 THR 13 -0.101 2.104 0.775 104 3HG2 THR 13 3HG2 THR 13 -1.076 0.634 0.858 105 H TRP 14 H TRP 14 -1.559 -0.262 3.794 106 HA TRP 14 HA TRP 14 -3.862 0.967 2.683 107 1HB TRP 14 2HB TRP 14 -3.462 -1.483 3.305 108 2HB TRP 14 1HB TRP 14 -3.840 -1.018 4.947 109 HD1 TRP 14 HD TRP 14 -6.290 -0.832 5.604 110 HE1 TRP 14 1HE TRP 14 -8.526 -1.105 4.367 111 HE3 TRP 14 3HE TRP 14 -4.647 -0.892 0.746 112 HZ2 TRP 14 2HZ TRP 14 -9.480 -1.329 1.694 113 HZ3 TRP 14 3HZ TRP 14 -6.230 -1.144 -1.080 114 HH2 TRP 14 HH TRP 14 -8.618 -1.369 -0.622 115 H GLU 15 H GLU 15 -2.649 0.707 6.005 116 HA GLU 15 HA GLU 15 -4.789 1.989 7.287 117 1HB GLU 15 2HB GLU 15 -1.867 1.763 8.048 118 2HB GLU 15 1HB GLU 15 -3.145 2.304 9.139 119 1HG GLU 15 2HG GLU 15 -4.290 0.179 8.986 120 2HG GLU 15 1HG GLU 15 -3.236 -0.370 7.686 121 H ILE 16 H ILE 16 -1.858 3.252 5.783 122 HA ILE 16 HA ILE 16 -2.264 6.012 6.524 123 HB ILE 16 HB ILE 16 -0.655 4.699 4.281 124 1HG1 ILE 16 2HG1 ILE 16 0.335 5.926 6.847 125 2HG1 ILE 16 1HG1 ILE 16 -0.014 4.224 6.707 126 1HG2 ILE 16 1HG2 ILE 16 -0.435 6.780 3.438 127 2HG2 ILE 16 2HG2 ILE 16 0.509 7.161 4.872 128 3HG2 ILE 16 3HG2 ILE 16 -1.218 7.515 4.835 129 1HD1 ILE 16 1HD1 ILE 16 1.709 5.308 4.550 130 2HD1 ILE 16 2HD1 ILE 16 1.867 3.815 5.485 131 3HD1 ILE 16 3HD1 ILE 16 2.433 5.337 6.166 132 H PHE 17 H PHE 17 -3.102 3.889 3.878 133 HA PHE 17 HA PHE 17 -4.209 5.720 2.021 134 1HB PHE 17 2HB PHE 17 -3.599 3.094 2.006 135 2HB PHE 17 1HB PHE 17 -5.317 2.967 2.289 136 HD1 PHE 17 1HD PHE 17 -2.719 4.226 -0.050 137 HD2 PHE 17 2HD PHE 17 -6.891 3.429 0.571 138 HE1 PHE 17 1HE PHE 17 -3.114 4.438 -2.480 139 HE2 PHE 17 2HE PHE 17 -7.299 3.651 -1.856 140 HZ PHE 17 HZ PHE 17 -5.407 4.145 -3.374 141 H ASN 18 H ASN 18 -5.518 3.915 4.745 142 HA ASN 18 HA ASN 18 -8.252 4.796 4.284 143 1HB ASN 18 2HB ASN 18 -6.961 2.988 6.331 144 2HB ASN 18 1HB ASN 18 -8.667 3.417 6.378 145 1HD2 ASN 18 1HD2 ASN 18 -6.454 2.470 3.670 146 2HD2 ASN 18 2HD2 ASN 18 -7.472 1.242 3.094 147 H LEU 19 H LEU 19 -5.704 6.436 5.601 148 HA LEU 19 HA LEU 19 -6.836 7.237 8.080 149 1HB LEU 19 2HB LEU 19 -4.545 8.104 6.450 150 2HB LEU 19 1HB LEU 19 -5.220 9.333 7.515 151 HG LEU 19 HG LEU 19 -4.355 6.550 8.389 152 1HD1 LEU 19 1HD1 LEU 19 -2.431 7.835 7.864 153 2HD1 LEU 19 2HD1 LEU 19 -2.614 7.917 9.613 154 3HD1 LEU 19 3HD1 LEU 19 -3.114 9.274 8.610 155 1HD2 LEU 19 1HD2 LEU 19 -6.056 8.477 9.637 156 2HD2 LEU 19 2HD2 LEU 19 -4.533 8.471 10.511 157 3HD2 LEU 19 3HD2 LEU 19 -5.445 6.973 10.311 158 HA PRO 20 HA PRO 20 -9.906 9.905 6.351 159 1HB PRO 20 2HB PRO 20 -10.425 11.048 8.954 160 2HB PRO 20 1HB PRO 20 -11.369 9.844 8.066 161 1HG PRO 20 2HG PRO 20 -9.998 9.362 10.372 162 2HG PRO 20 1HG PRO 20 -10.405 8.123 9.172 163 1HD PRO 20 2HD PRO 20 -7.815 9.549 9.597 164 2HD PRO 20 1HD PRO 20 -8.112 7.857 9.189 165 H ASN 21 H ASN 21 -6.907 11.219 7.075 166 HA ASN 21 HA ASN 21 -7.997 13.895 6.390 167 1HB ASN 21 2HB ASN 21 -6.211 13.478 8.780 168 2HB ASN 21 1HB ASN 21 -6.667 15.035 8.117 169 1HD2 ASN 21 1HD2 ASN 21 -7.562 12.725 10.426 170 2HD2 ASN 21 2HD2 ASN 21 -9.159 13.244 10.678 171 H LEU 22 H LEU 22 -5.700 11.610 5.704 172 HA LEU 22 HA LEU 22 -3.524 13.428 5.114 173 1HB LEU 22 2HB LEU 22 -3.947 10.553 4.300 174 2HB LEU 22 1HB LEU 22 -2.453 11.470 4.090 175 HG LEU 22 HG LEU 22 -3.813 10.928 6.742 176 1HD1 LEU 22 1HD1 LEU 22 -1.657 9.620 7.092 177 2HD1 LEU 22 2HD1 LEU 22 -1.444 9.706 5.346 178 3HD1 LEU 22 3HD1 LEU 22 -2.855 8.903 6.024 179 1HD2 LEU 22 1HD2 LEU 22 -1.342 11.689 7.398 180 2HD2 LEU 22 2HD2 LEU 22 -2.635 12.869 7.190 181 3HD2 LEU 22 3HD2 LEU 22 -1.475 12.578 5.886 182 H ASN 23 H ASN 23 -2.742 14.027 3.097 183 HA ASN 23 HA ASN 23 -4.833 14.220 1.048 184 1HB ASN 23 2HB ASN 23 -3.817 16.146 0.329 185 2HB ASN 23 1HB ASN 23 -3.259 16.159 1.997 186 1HD2 ASN 23 1HD2 ASN 23 -0.973 15.916 2.360 187 2HD2 ASN 23 2HD2 ASN 23 0.140 15.760 1.086 188 H GLY 24 H GLY 24 -4.250 13.811 -1.214 189 1HA GLY 24 2HA GLY 24 -3.402 11.257 -1.726 190 2HA GLY 24 1HA GLY 24 -3.344 12.546 -2.920 191 H VAL 25 H VAL 25 -1.377 14.186 -1.799 192 HA VAL 25 HA VAL 25 0.996 12.874 -2.653 193 HB VAL 25 HB VAL 25 0.683 15.477 -1.149 194 1HG1 VAL 25 1HG1 VAL 25 2.935 15.888 -2.369 195 2HG1 VAL 25 2HG1 VAL 25 3.003 14.133 -2.536 196 3HG1 VAL 25 3HG1 VAL 25 2.957 14.865 -0.931 197 1HG2 VAL 25 1HG2 VAL 25 -0.490 15.710 -3.181 198 2HG2 VAL 25 2HG2 VAL 25 0.645 14.674 -4.055 199 3HG2 VAL 25 3HG2 VAL 25 1.123 16.307 -3.575 200 H GLN 26 H GLN 26 -0.182 13.814 0.623 201 HA GLN 26 HA GLN 26 2.138 12.911 1.942 202 1HB GLN 26 2HB GLN 26 -0.564 13.731 2.723 203 2HB GLN 26 1HB GLN 26 0.164 12.544 3.803 204 1HG GLN 26 2HG GLN 26 1.935 13.939 4.394 205 2HG GLN 26 1HG GLN 26 1.843 14.860 2.886 206 1HE2 GLN 26 1HE2 GLN 26 -0.343 14.124 5.623 207 2HE2 GLN 26 2HE2 GLN 26 -0.891 15.717 5.810 208 H VAL 27 H VAL 27 -0.896 11.253 1.134 209 HA VAL 27 HA VAL 27 -0.235 8.782 2.368 210 HB VAL 27 HB VAL 27 -2.002 9.305 -0.046 211 1HG1 VAL 27 1HG1 VAL 27 -3.049 7.121 0.695 212 2HG1 VAL 27 2HG1 VAL 27 -1.680 6.911 1.787 213 3HG1 VAL 27 3HG1 VAL 27 -1.418 6.958 0.043 214 1HG2 VAL 27 1HG2 VAL 27 -3.838 9.291 1.571 215 2HG2 VAL 27 2HG2 VAL 27 -2.662 10.508 2.056 216 3HG2 VAL 27 3HG2 VAL 27 -2.717 8.956 2.890 217 H LYS 28 H LYS 28 0.269 10.085 -0.876 218 HA LYS 28 HA LYS 28 1.532 7.829 -2.025 219 1HB LYS 28 2HB LYS 28 1.524 10.784 -2.669 220 2HB LYS 28 1HB LYS 28 2.579 9.676 -3.546 221 1HG LYS 28 2HG LYS 28 0.742 8.421 -4.393 222 2HG LYS 28 1HG LYS 28 -0.389 9.156 -3.259 223 1HD LYS 28 2HD LYS 28 -0.714 10.174 -5.443 224 2HD LYS 28 1HD LYS 28 0.018 11.370 -4.376 225 1HE LYS 28 2HE LYS 28 2.213 10.973 -5.342 226 2HE LYS 28 1HE LYS 28 1.591 9.632 -6.305 227 1HZ LYS 28 1HZ LYS 28 1.112 12.520 -6.617 228 2HZ LYS 28 2HZ LYS 28 -0.027 11.404 -7.203 229 3HZ LYS 28 3HZ LYS 28 1.568 11.380 -7.786 230 H ALA 29 H ALA 29 2.707 10.487 -0.074 231 HA ALA 29 HA ALA 29 5.478 10.013 -0.454 232 1HB ALA 29 1HB ALA 29 5.814 11.581 1.302 233 2HB ALA 29 2HB ALA 29 4.170 11.349 1.894 234 3HB ALA 29 3HB ALA 29 4.447 12.160 0.352 235 H PHE 30 H PHE 30 3.134 9.121 2.022 236 HA PHE 30 HA PHE 30 4.960 7.825 3.694 237 1HB PHE 30 2HB PHE 30 1.988 7.408 3.355 238 2HB PHE 30 1HB PHE 30 2.963 6.772 4.678 239 HD1 PHE 30 1HD PHE 30 0.611 9.145 4.228 240 HD2 PHE 30 2HD PHE 30 4.757 8.942 5.421 241 HE1 PHE 30 1HE PHE 30 0.379 11.263 5.459 242 HE2 PHE 30 2HE PHE 30 4.494 11.075 6.625 243 HZ PHE 30 HZ PHE 30 2.313 12.221 6.641 244 H ILE 31 H ILE 31 3.023 6.901 0.917 245 HA ILE 31 HA ILE 31 3.661 4.140 0.976 246 HB ILE 31 HB ILE 31 2.620 5.993 -1.148 247 1HG1 ILE 31 2HG1 ILE 31 1.507 3.455 0.098 248 2HG1 ILE 31 1HG1 ILE 31 1.119 5.082 0.640 249 1HG2 ILE 31 1HG2 ILE 31 2.375 3.698 -2.470 250 2HG2 ILE 31 2HG2 ILE 31 3.793 3.242 -1.533 251 3HG2 ILE 31 3HG2 ILE 31 3.855 4.641 -2.598 252 1HD1 ILE 31 1HD1 ILE 31 -0.605 4.133 -0.892 253 2HD1 ILE 31 2HD1 ILE 31 0.616 4.040 -2.160 254 3HD1 ILE 31 3HD1 ILE 31 0.128 5.610 -1.521 255 H ASP 32 H ASP 32 5.036 6.923 -0.696 256 HA ASP 32 HA ASP 32 7.029 5.492 -2.059 257 1HB ASP 32 2HB ASP 32 6.302 7.875 -2.520 258 2HB ASP 32 1HB ASP 32 7.245 8.362 -1.115 259 H SER 33 H SER 33 6.975 6.943 1.104 260 HA SER 33 HA SER 33 9.710 6.515 1.775 261 1HB SER 33 2HB SER 33 7.255 6.797 3.533 262 2HB SER 33 1HB SER 33 8.927 6.849 4.100 263 HG SER 33 HG SER 33 7.794 8.564 2.140 264 H LEU 34 H LEU 34 6.754 4.697 2.059 265 HA LEU 34 HA LEU 34 7.589 2.408 3.551 266 1HB LEU 34 2HB LEU 34 5.378 3.281 1.802 267 2HB LEU 34 1HB LEU 34 5.686 1.574 1.760 268 HG LEU 34 HG LEU 34 5.703 2.598 4.462 269 1HD1 LEU 34 1HD1 LEU 34 3.027 2.612 4.243 270 2HD1 LEU 34 2HD1 LEU 34 3.435 3.262 2.663 271 3HD1 LEU 34 3HD1 LEU 34 3.981 4.085 4.119 272 1HD2 LEU 34 1HD2 LEU 34 3.871 0.745 4.501 273 2HD2 LEU 34 2HD2 LEU 34 5.549 0.316 4.210 274 3HD2 LEU 34 3HD2 LEU 34 4.434 0.420 2.863 275 H ARG 35 H ARG 35 7.309 3.050 0.113 276 HA ARG 35 HA ARG 35 8.394 0.666 -0.915 277 1HB ARG 35 2HB ARG 35 8.391 3.474 -2.037 278 2HB ARG 35 1HB ARG 35 8.769 2.024 -2.967 279 1HG ARG 35 2HG ARG 35 6.556 1.136 -2.573 280 2HG ARG 35 1HG ARG 35 6.189 2.445 -1.486 281 1HD ARG 35 2HD ARG 35 5.149 2.943 -3.599 282 2HD ARG 35 1HD ARG 35 6.481 4.063 -3.345 283 HE ARG 35 HE ARG 35 7.457 3.180 -5.215 284 1HH1 ARG 35 1HH2 ARG 35 5.355 0.833 -3.797 285 2HH1 ARG 35 2HH2 ARG 35 5.561 -0.315 -5.085 286 1HH2 ARG 35 1HH1 ARG 35 7.663 1.742 -6.923 287 2HH2 ARG 35 2HH1 ARG 35 6.878 0.201 -6.850 288 H ASP 36 H ASP 36 9.900 3.781 -0.164 289 HA ASP 36 HA ASP 36 12.529 3.128 -0.988 290 1HB ASP 36 2HB ASP 36 11.641 5.438 -0.689 291 2HB ASP 36 1HB ASP 36 11.687 5.158 1.041 292 H ASP 37 H ASP 37 10.819 2.958 2.060 293 HA ASP 37 HA ASP 37 12.811 1.102 3.103 294 1HB ASP 37 2HB ASP 37 13.413 3.475 3.834 295 2HB ASP 37 1HB ASP 37 11.929 3.453 4.781 296 HA PRO 38 HA PRO 38 8.654 -0.398 3.939 297 1HB PRO 38 2HB PRO 38 9.782 -3.025 4.086 298 2HB PRO 38 1HB PRO 38 8.736 -2.345 2.853 299 1HG PRO 38 2HG PRO 38 11.395 -3.029 2.542 300 2HG PRO 38 1HG PRO 38 10.444 -2.010 1.453 301 1HD PRO 38 2HD PRO 38 12.491 -1.226 3.440 302 2HD PRO 38 1HD PRO 38 11.933 -0.373 1.982 303 H SER 39 H SER 39 11.610 -1.179 5.684 304 HA SER 39 HA SER 39 10.376 -2.380 7.939 305 1HB SER 39 2HB SER 39 12.478 -2.173 9.042 306 2HB SER 39 1HB SER 39 12.855 -2.463 7.348 307 HG SER 39 HG SER 39 12.812 -0.004 7.298 308 H GLN 40 H GLN 40 10.720 0.846 6.825 309 HA GLN 40 HA GLN 40 10.085 2.101 9.368 310 1HB GLN 40 2HB GLN 40 11.086 2.960 6.760 311 2HB GLN 40 1HB GLN 40 9.822 4.020 7.361 312 1HG GLN 40 2HG GLN 40 11.784 4.939 8.256 313 2HG GLN 40 1HG GLN 40 11.128 3.997 9.592 314 1HE2 GLN 40 1HE2 GLN 40 12.040 1.629 9.681 315 2HE2 GLN 40 2HE2 GLN 40 13.684 1.441 9.306 316 H SER 41 H SER 41 8.321 0.473 7.108 317 HA SER 41 HA SER 41 6.195 1.955 6.301 318 1HB SER 41 2HB SER 41 6.486 -0.389 5.724 319 2HB SER 41 1HB SER 41 6.248 -0.875 7.393 320 HG SER 41 HG SER 41 4.285 -1.118 6.585 321 H ALA 42 H ALA 42 6.576 0.522 9.542 322 HA ALA 42 HA ALA 42 3.987 1.232 10.498 323 1HB ALA 42 1HB ALA 42 5.432 -0.491 11.545 324 2HB ALA 42 2HB ALA 42 4.923 0.744 12.697 325 3HB ALA 42 3HB ALA 42 6.554 0.781 12.025 326 H ASN 43 H ASN 43 7.122 2.751 10.405 327 HA ASN 43 HA ASN 43 6.625 4.928 12.124 328 1HB ASN 43 2HB ASN 43 8.841 4.029 11.454 329 2HB ASN 43 1HB ASN 43 8.578 4.689 9.844 330 1HD2 ASN 43 1HD2 ASN 43 9.494 6.701 9.559 331 2HD2 ASN 43 2HD2 ASN 43 9.760 7.846 10.785 332 H LEU 44 H LEU 44 6.231 4.354 8.751 333 HA LEU 44 HA LEU 44 5.718 7.041 7.928 334 1HB LEU 44 2HB LEU 44 5.197 4.364 6.588 335 2HB LEU 44 1HB LEU 44 5.249 5.947 5.782 336 HG LEU 44 HG LEU 44 7.522 4.945 7.484 337 1HD1 LEU 44 1HD1 LEU 44 7.620 3.347 5.869 338 2HD1 LEU 44 2HD1 LEU 44 8.633 4.614 5.181 339 3HD1 LEU 44 3HD1 LEU 44 6.969 4.408 4.621 340 1HD2 LEU 44 1HD2 LEU 44 7.537 7.245 7.261 341 2HD2 LEU 44 2HD2 LEU 44 7.119 7.162 5.552 342 3HD2 LEU 44 3HD2 LEU 44 8.717 6.647 6.094 343 H LEU 45 H LEU 45 3.995 4.247 8.809 344 HA LEU 45 HA LEU 45 1.348 5.235 8.378 345 1HB LEU 45 2HB LEU 45 1.517 2.900 8.557 346 2HB LEU 45 1HB LEU 45 2.554 2.983 9.975 347 HG LEU 45 HG LEU 45 0.645 3.848 11.301 348 1HD1 LEU 45 1HD1 LEU 45 -0.687 4.991 9.704 349 2HD1 LEU 45 2HD1 LEU 45 -1.651 3.593 10.175 350 3HD1 LEU 45 3HD1 LEU 45 -0.775 3.584 8.647 351 1HD2 LEU 45 1HD2 LEU 45 1.075 1.444 11.228 352 2HD2 LEU 45 2HD2 LEU 45 0.095 1.287 9.770 353 3HD2 LEU 45 3HD2 LEU 45 -0.662 1.738 11.300 354 H ALA 46 H ALA 46 3.725 5.279 10.894 355 HA ALA 46 HA ALA 46 2.195 6.393 12.980 356 1HB ALA 46 1HB ALA 46 4.215 6.600 14.120 357 2HB ALA 46 2HB ALA 46 5.093 7.045 12.654 358 3HB ALA 46 3HB ALA 46 4.642 5.365 12.938 359 H GLU 47 H GLU 47 4.288 7.700 10.524 360 HA GLU 47 HA GLU 47 4.110 10.426 11.153 361 1HB GLU 47 2HB GLU 47 4.769 8.787 8.740 362 2HB GLU 47 1HB GLU 47 4.649 10.540 8.595 363 1HG GLU 47 2HG GLU 47 6.526 8.952 10.348 364 2HG GLU 47 1HG GLU 47 6.942 9.941 8.954 365 H ALA 48 H ALA 48 2.281 8.259 9.124 366 HA ALA 48 HA ALA 48 0.647 10.189 7.893 367 1HB ALA 48 1HB ALA 48 -0.097 8.376 6.794 368 2HB ALA 48 2HB ALA 48 -0.530 7.554 8.290 369 3HB ALA 48 3HB ALA 48 1.116 7.482 7.695 370 H LYS 49 H LYS 49 0.217 8.071 10.697 371 HA LYS 49 HA LYS 49 -2.376 8.928 11.403 372 1HB LYS 49 2HB LYS 49 -0.102 7.841 13.090 373 2HB LYS 49 1HB LYS 49 -1.726 8.131 13.712 374 1HG LYS 49 2HG LYS 49 -1.350 6.451 11.239 375 2HG LYS 49 1HG LYS 49 -1.094 5.737 12.829 376 1HD LYS 49 2HD LYS 49 -3.355 6.293 13.509 377 2HD LYS 49 1HD LYS 49 -3.621 7.215 12.032 378 1HE LYS 49 2HE LYS 49 -4.660 4.987 11.863 379 2HE LYS 49 1HE LYS 49 -3.351 5.151 10.694 380 1HZ LYS 49 1HZ LYS 49 -3.295 3.030 11.909 381 2HZ LYS 49 2HZ LYS 49 -3.085 3.879 13.366 382 3HZ LYS 49 3HZ LYS 49 -1.893 3.951 12.158 383 H LYS 50 H LYS 50 0.842 10.231 11.890 384 HA LYS 50 HA LYS 50 0.049 12.207 13.775 385 1HB LYS 50 2HB LYS 50 2.371 11.287 13.555 386 2HB LYS 50 1HB LYS 50 2.502 12.134 12.019 387 1HG LYS 50 2HG LYS 50 2.161 14.290 13.143 388 2HG LYS 50 1HG LYS 50 1.945 13.464 14.689 389 1HD LYS 50 2HD LYS 50 4.215 14.133 14.722 390 2HD LYS 50 1HD LYS 50 4.276 12.435 14.248 391 1HE LYS 50 2HE LYS 50 4.303 13.209 11.832 392 2HE LYS 50 1HE LYS 50 4.506 14.854 12.434 393 1HZ LYS 50 1HZ LYS 50 6.657 14.073 12.049 394 2HZ LYS 50 2HZ LYS 50 6.336 12.550 12.730 395 3HZ LYS 50 3HZ LYS 50 6.458 13.922 13.727 396 H LEU 51 H LEU 51 0.565 12.089 10.322 397 HA LEU 51 HA LEU 51 0.119 14.852 9.884 398 1HB LEU 51 2HB LEU 51 0.432 12.446 8.178 399 2HB LEU 51 1HB LEU 51 -0.466 13.788 7.479 400 HG LEU 51 HG LEU 51 1.828 14.075 6.878 401 1HD1 LEU 51 1HD1 LEU 51 0.395 16.040 7.966 402 2HD1 LEU 51 2HD1 LEU 51 2.055 16.286 7.427 403 3HD1 LEU 51 3HD1 LEU 51 1.716 16.012 9.135 404 1HD2 LEU 51 1HD2 LEU 51 3.084 12.776 8.377 405 2HD2 LEU 51 2HD2 LEU 51 2.333 13.513 9.792 406 3HD2 LEU 51 3HD2 LEU 51 3.512 14.419 8.844 407 H ASN 52 H ASN 52 -1.863 11.980 9.768 408 HA ASN 52 HA ASN 52 -4.237 13.169 8.823 409 1HB ASN 52 2HB ASN 52 -4.156 10.835 8.706 410 2HB ASN 52 1HB ASN 52 -3.611 10.664 10.369 411 1HD2 ASN 52 1HD2 ASN 52 -5.230 10.423 11.967 412 2HD2 ASN 52 2HD2 ASN 52 -6.892 10.529 11.642 413 H ASP 53 H ASP 53 -2.973 12.445 12.047 414 HA ASP 53 HA ASP 53 -5.171 13.443 13.486 415 1HB ASP 53 2HB ASP 53 -2.279 13.095 14.253 416 2HB ASP 53 1HB ASP 53 -3.500 13.661 15.387 417 H ALA 54 H ALA 54 -2.227 14.928 12.294 418 HA ALA 54 HA ALA 54 -2.570 17.470 13.477 419 1HB ALA 54 1HB ALA 54 -1.046 16.517 11.051 420 2HB ALA 54 2HB ALA 54 -0.404 16.891 12.650 421 3HB ALA 54 3HB ALA 54 -0.997 18.188 11.613 422 H GLN 55 H GLN 55 -3.601 15.994 10.445 423 HA GLN 55 HA GLN 55 -4.874 18.443 9.491 424 1HB GLN 55 2HB GLN 55 -4.596 15.639 8.407 425 2HB GLN 55 1HB GLN 55 -5.545 16.889 7.593 426 1HG GLN 55 2HG GLN 55 -3.613 18.296 7.318 427 2HG GLN 55 1HG GLN 55 -2.641 17.273 8.373 428 1HE2 GLN 55 1HE2 GLN 55 -2.772 14.795 7.520 429 2HE2 GLN 55 2HE2 GLN 55 -2.443 14.633 5.864 430 H ALA 56 H ALA 56 -5.706 16.286 11.798 431 HA ALA 56 HA ALA 56 -8.414 15.671 11.054 432 1HB ALA 56 1HB ALA 56 -8.638 14.723 13.238 433 2HB ALA 56 2HB ALA 56 -7.248 15.625 13.841 434 3HB ALA 56 3HB ALA 56 -7.017 14.323 12.675 435 HA PRO 57 HA PRO 57 -10.466 19.263 12.489 436 1HB PRO 57 2HB PRO 57 -12.793 17.777 13.341 437 2HB PRO 57 1HB PRO 57 -12.535 18.619 11.807 438 1HG PRO 57 2HG PRO 57 -12.780 15.925 12.041 439 2HG PRO 57 1HG PRO 57 -11.875 16.725 10.743 440 1HD PRO 57 2HD PRO 57 -10.842 15.536 13.297 441 2HD PRO 57 1HD PRO 57 -10.216 15.352 11.640 442 H LYS 58 H LYS 58 -12.107 19.934 14.387 443 HA LYS 58 HA LYS 58 -10.630 19.966 16.787 444 1HB LYS 58 2HB LYS 58 -13.476 20.674 16.211 445 2HB LYS 58 1HB LYS 58 -12.705 20.968 17.760 446 1HG LYS 58 2HG LYS 58 -11.014 22.383 16.666 447 2HG LYS 58 1HG LYS 58 -11.735 22.051 15.093 448 1HD LYS 58 2HD LYS 58 -12.564 24.196 15.800 449 2HD LYS 58 1HD LYS 58 -13.893 23.054 15.969 450 1HE LYS 58 2HE LYS 58 -12.096 23.488 18.331 451 2HE LYS 58 1HE LYS 58 -13.272 24.740 17.936 452 1HZ LYS 58 1HZ LYS 58 -14.540 22.250 17.751 453 2HZ LYS 58 2HZ LYS 58 -14.845 23.508 18.851 454 3HZ LYS 58 3HZ LYS 58 -13.712 22.299 19.231 455 1H VAL 1 1HT VAL 1 -14.033 -4.944 8.280 456 2H VAL 1 2HT VAL 1 -14.760 -6.230 9.117 457 3H VAL 1 3HT VAL 1 -15.650 -5.351 7.968 458 HA VAL 1 HA VAL 1 -14.028 -6.113 6.249 459 HB VAL 1 HB VAL 1 -13.269 -8.022 8.491 460 1HG1 VAL 1 1HG1 VAL 1 -11.551 -8.771 6.781 461 2HG1 VAL 1 2HG1 VAL 1 -12.427 -7.817 5.582 462 3HG1 VAL 1 3HG1 VAL 1 -13.216 -9.181 6.375 463 1HG2 VAL 1 1HG2 VAL 1 -11.771 -5.737 7.165 464 2HG2 VAL 1 2HG2 VAL 1 -10.986 -6.968 8.155 465 3HG2 VAL 1 3HG2 VAL 1 -12.186 -5.895 8.873 466 H ASP 2 H ASP 2 -14.867 -7.687 4.908 467 HA ASP 2 HA ASP 2 -17.084 -9.343 5.973 468 1HB ASP 2 2HB ASP 2 -18.258 -8.955 3.828 469 2HB ASP 2 1HB ASP 2 -17.998 -7.452 4.711 470 H ASN 3 H ASN 3 -14.650 -8.923 3.450 471 HA ASN 3 HA ASN 3 -14.836 -11.717 2.672 472 1HB ASN 3 2HB ASN 3 -13.265 -11.015 0.851 473 2HB ASN 3 1HB ASN 3 -14.799 -10.146 0.844 474 1HD2 ASN 3 1HD2 ASN 3 -14.783 -7.879 1.477 475 2HD2 ASN 3 2HD2 ASN 3 -13.334 -7.006 1.616 476 H LYS 4 H LYS 4 -13.067 -13.133 2.738 477 HA LYS 4 HA LYS 4 -11.247 -12.726 4.916 478 1HB LYS 4 2HB LYS 4 -10.330 -14.943 4.255 479 2HB LYS 4 1HB LYS 4 -12.075 -14.965 4.484 480 1HG LYS 4 2HG LYS 4 -12.410 -15.619 2.353 481 2HG LYS 4 1HG LYS 4 -11.470 -14.267 1.741 482 1HD LYS 4 2HD LYS 4 -10.182 -16.779 2.833 483 2HD LYS 4 1HD LYS 4 -10.601 -16.585 1.132 484 1HE LYS 4 2HE LYS 4 -9.232 -14.407 1.209 485 2HE LYS 4 1HE LYS 4 -8.606 -14.989 2.751 486 1HZ LYS 4 1HZ LYS 4 -8.248 -17.150 1.296 487 2HZ LYS 4 2HZ LYS 4 -7.087 -15.913 1.382 488 3HZ LYS 4 3HZ LYS 4 -8.144 -15.998 0.056 489 H PHE 5 H PHE 5 -11.253 -11.766 1.736 490 HA PHE 5 HA PHE 5 -8.544 -12.036 1.036 491 1HB PHE 5 2HB PHE 5 -10.824 -10.389 -0.010 492 2HB PHE 5 1HB PHE 5 -9.190 -10.185 -0.647 493 HD1 PHE 5 1HD PHE 5 -11.608 -12.900 0.271 494 HD2 PHE 5 2HD PHE 5 -8.490 -11.586 -2.386 495 HE1 PHE 5 1HE PHE 5 -11.856 -14.977 -1.061 496 HE2 PHE 5 2HE PHE 5 -8.743 -13.661 -3.712 497 HZ PHE 5 HZ PHE 5 -10.417 -15.359 -3.044 498 H ASN 6 H ASN 6 -9.820 -10.163 3.477 499 HA ASN 6 HA ASN 6 -8.428 -7.706 3.177 500 1HB ASN 6 2HB ASN 6 -10.168 -8.276 4.957 501 2HB ASN 6 1HB ASN 6 -8.895 -9.154 5.800 502 1HD2 ASN 6 1HD2 ASN 6 -6.685 -7.532 5.645 503 2HD2 ASN 6 2HD2 ASN 6 -7.005 -6.002 6.304 504 H LYS 7 H LYS 7 -7.538 -10.808 4.632 505 HA LYS 7 HA LYS 7 -4.875 -10.091 5.328 506 1HB LYS 7 2HB LYS 7 -5.098 -12.048 6.419 507 2HB LYS 7 1HB LYS 7 -6.605 -12.362 5.580 508 1HG LYS 7 2HG LYS 7 -5.309 -14.243 5.056 509 2HG LYS 7 1HG LYS 7 -5.080 -13.232 3.639 510 1HD LYS 7 2HD LYS 7 -2.977 -12.336 4.760 511 2HD LYS 7 1HD LYS 7 -3.184 -13.591 5.974 512 1HE LYS 7 2HE LYS 7 -1.685 -14.508 4.358 513 2HE LYS 7 1HE LYS 7 -3.245 -15.262 4.034 514 1HZ LYS 7 1HZ LYS 7 -3.178 -12.892 2.594 515 2HZ LYS 7 2HZ LYS 7 -3.117 -14.476 1.985 516 3HZ LYS 7 3HZ LYS 7 -1.679 -13.642 2.336 517 H GLU 8 H GLU 8 -6.377 -11.574 2.505 518 HA GLU 8 HA GLU 8 -4.015 -12.133 1.021 519 1HB GLU 8 2HB GLU 8 -6.836 -11.538 0.042 520 2HB GLU 8 1HB GLU 8 -5.556 -12.282 -0.912 521 1HG GLU 8 2HG GLU 8 -6.887 -13.432 1.559 522 2HG GLU 8 1HG GLU 8 -7.048 -14.019 -0.095 523 H ARG 9 H ARG 9 -6.037 -9.301 1.395 524 HA ARG 9 HA ARG 9 -5.040 -7.835 -0.813 525 1HB ARG 9 2HB ARG 9 -7.242 -7.427 0.172 526 2HB ARG 9 1HB ARG 9 -6.489 -6.920 1.684 527 1HG ARG 9 2HG ARG 9 -5.386 -5.065 0.551 528 2HG ARG 9 1HG ARG 9 -6.022 -5.598 -0.999 529 1HD ARG 9 2HD ARG 9 -7.426 -3.800 -0.187 530 2HD ARG 9 1HD ARG 9 -8.341 -5.300 -0.074 531 HE ARG 9 HE ARG 9 -6.874 -4.412 2.312 532 1HH1 ARG 9 1HH1 ARG 9 -9.737 -3.557 0.771 533 2HH1 ARG 9 2HH1 ARG 9 -10.779 -3.938 2.100 534 1HH2 ARG 9 1HH2 ARG 9 -8.280 -5.439 3.969 535 2HH2 ARG 9 2HH2 ARG 9 -9.955 -5.002 3.910 536 H VAL 10 H VAL 10 -4.306 -7.905 2.664 537 HA VAL 10 HA VAL 10 -2.620 -5.671 2.820 538 HB VAL 10 HB VAL 10 -2.323 -8.231 4.376 539 1HG1 VAL 10 1HG1 VAL 10 -0.462 -6.996 4.931 540 2HG1 VAL 10 2HG1 VAL 10 -1.615 -6.449 6.153 541 3HG1 VAL 10 3HG1 VAL 10 -1.296 -5.454 4.731 542 1HG2 VAL 10 1HG2 VAL 10 -4.545 -6.407 4.306 543 2HG2 VAL 10 2HG2 VAL 10 -3.759 -6.302 5.889 544 3HG2 VAL 10 3HG2 VAL 10 -4.338 -7.855 5.288 545 H ILE 11 H ILE 11 -1.991 -9.004 1.910 546 HA ILE 11 HA ILE 11 0.845 -8.756 1.726 547 HB ILE 11 HB ILE 11 -0.847 -10.740 0.197 548 1HG1 ILE 11 2HG1 ILE 11 -0.852 -10.309 3.023 549 2HG1 ILE 11 1HG1 ILE 11 -1.610 -11.615 2.129 550 1HG2 ILE 11 1HG2 ILE 11 1.916 -10.866 1.470 551 2HG2 ILE 11 2HG2 ILE 11 1.602 -10.639 -0.255 552 3HG2 ILE 11 3HG2 ILE 11 1.155 -12.153 0.531 553 1HD1 ILE 11 1HD1 ILE 11 1.242 -11.599 3.186 554 2HD1 ILE 11 2HD1 ILE 11 0.530 -12.900 2.229 555 3HD1 ILE 11 3HD1 ILE 11 -0.100 -12.543 3.833 556 H ALA 12 H ALA 12 -1.845 -8.372 -0.579 557 HA ALA 12 HA ALA 12 -0.242 -8.039 -2.907 558 1HB ALA 12 1HB ALA 12 -3.044 -7.163 -2.186 559 2HB ALA 12 2HB ALA 12 -2.576 -8.516 -3.212 560 3HB ALA 12 3HB ALA 12 -2.321 -6.859 -3.764 561 H ILE 13 H ILE 13 -1.694 -5.766 -0.615 562 HA ILE 13 HA ILE 13 -0.783 -3.402 -1.831 563 HB ILE 13 HB ILE 13 -1.157 -4.012 1.132 564 1HG1 ILE 13 2HG1 ILE 13 -3.054 -2.622 -0.731 565 2HG1 ILE 13 1HG1 ILE 13 -3.104 -4.364 -0.515 566 1HG2 ILE 13 1HG2 ILE 13 -1.009 -1.402 -0.394 567 2HG2 ILE 13 2HG2 ILE 13 0.048 -1.927 0.908 568 3HG2 ILE 13 3HG2 ILE 13 -1.643 -1.545 1.248 569 1HD1 ILE 13 1HD1 ILE 13 -4.709 -3.218 0.965 570 2HD1 ILE 13 2HD1 ILE 13 -3.371 -2.316 1.667 571 3HD1 ILE 13 3HD1 ILE 13 -3.460 -4.057 1.893 572 H GLY 14 H GLY 14 0.650 -5.580 0.545 573 1HA GLY 14 2HA GLY 14 3.102 -4.262 0.937 574 2HA GLY 14 1HA GLY 14 2.834 -5.993 1.114 575 H GLU 15 H GLU 15 2.095 -6.632 -1.512 576 HA GLU 15 HA GLU 15 4.632 -6.941 -2.708 577 1HB GLU 15 2HB GLU 15 2.469 -8.360 -2.936 578 2HB GLU 15 1HB GLU 15 2.064 -7.243 -4.214 579 1HG GLU 15 2HG GLU 15 3.628 -8.117 -5.655 580 2HG GLU 15 1HG GLU 15 4.821 -8.259 -4.358 581 H ILE 16 H ILE 16 1.838 -4.804 -3.427 582 HA ILE 16 HA ILE 16 2.939 -3.654 -5.776 583 HB ILE 16 HB ILE 16 1.609 -1.783 -3.807 584 1HG1 ILE 16 2HG1 ILE 16 0.243 -3.895 -3.793 585 2HG1 ILE 16 1HG1 ILE 16 -0.608 -2.477 -4.340 586 1HG2 ILE 16 1HG2 ILE 16 0.573 -0.918 -5.882 587 2HG2 ILE 16 2HG2 ILE 16 1.436 -2.139 -6.807 588 3HG2 ILE 16 3HG2 ILE 16 2.329 -0.898 -5.943 589 1HD1 ILE 16 1HD1 ILE 16 -0.327 -3.113 -6.640 590 2HD1 ILE 16 2HD1 ILE 16 -1.026 -4.474 -5.759 591 3HD1 ILE 16 3HD1 ILE 16 0.689 -4.483 -6.178 592 H MET 17 H MET 17 3.157 -2.621 -2.436 593 HA MET 17 HA MET 17 4.909 -0.440 -2.699 594 1HB MET 17 2HB MET 17 4.539 -2.263 -0.340 595 2HB MET 17 1HB MET 17 5.119 -0.591 -0.328 596 1HG MET 17 2HG MET 17 2.403 -1.369 -1.403 597 2HG MET 17 1HG MET 17 2.656 -0.866 0.257 598 1HE MET 17 1HE MET 17 4.079 0.771 0.802 599 2HE MET 17 2HE MET 17 3.297 2.341 0.560 600 3HE MET 17 3HE MET 17 4.808 1.983 -0.278 601 H ARG 18 H ARG 18 5.539 -3.908 -2.352 602 HA ARG 18 HA ARG 18 8.332 -3.704 -1.870 603 1HB ARG 18 2HB ARG 18 6.577 -5.895 -2.849 604 2HB ARG 18 1HB ARG 18 8.316 -6.099 -2.771 605 1HG ARG 18 2HG ARG 18 7.570 -4.954 -0.304 606 2HG ARG 18 1HG ARG 18 6.372 -6.188 -0.639 607 1HD ARG 18 2HD ARG 18 9.308 -6.740 -0.916 608 2HD ARG 18 1HD ARG 18 8.475 -6.909 0.625 609 HE ARG 18 HE ARG 18 7.171 -8.319 -1.535 610 1HH1 ARG 18 1HH1 ARG 18 10.169 -9.148 -1.161 611 2HH1 ARG 18 2HH1 ARG 18 9.970 -10.552 -0.165 612 1HH2 ARG 18 1HH2 ARG 18 6.682 -9.836 0.641 613 2HH2 ARG 18 2HH2 ARG 18 7.997 -10.940 0.854 614 H LEU 19 H LEU 19 6.371 -3.882 -4.798 615 HA LEU 19 HA LEU 19 8.383 -4.382 -6.680 616 1HB LEU 19 2HB LEU 19 5.881 -2.726 -6.949 617 2HB LEU 19 1HB LEU 19 6.886 -3.194 -8.288 618 HG LEU 19 HG LEU 19 5.580 -5.161 -6.407 619 1HD1 LEU 19 1HD1 LEU 19 4.712 -4.251 -9.160 620 2HD1 LEU 19 2HD1 LEU 19 3.883 -3.884 -7.646 621 3HD1 LEU 19 3HD1 LEU 19 3.961 -5.541 -8.220 622 1HD2 LEU 19 1HD2 LEU 19 6.235 -5.978 -9.120 623 2HD2 LEU 19 2HD2 LEU 19 6.599 -6.763 -7.587 624 3HD2 LEU 19 3HD2 LEU 19 7.647 -5.487 -8.195 625 HA PRO 20 HA PRO 20 10.530 -0.502 -6.019 626 1HB PRO 20 2HB PRO 20 12.681 -1.504 -7.654 627 2HB PRO 20 1HB PRO 20 12.629 -1.313 -5.899 628 1HG PRO 20 2HG PRO 20 12.739 -3.705 -7.217 629 2HG PRO 20 1HG PRO 20 12.133 -3.482 -5.567 630 1HD PRO 20 2HD PRO 20 10.600 -3.793 -8.113 631 2HD PRO 20 1HD PRO 20 10.236 -4.401 -6.483 632 H ASN 21 H ASN 21 9.345 -1.763 -8.983 633 HA ASN 21 HA ASN 21 10.413 0.496 -10.538 634 1HB ASN 21 2HB ASN 21 8.850 -1.887 -11.506 635 2HB ASN 21 1HB ASN 21 9.669 -0.692 -12.495 636 1HD2 ASN 21 1HD2 ASN 21 10.131 -3.713 -12.054 637 2HD2 ASN 21 2HD2 ASN 21 11.791 -3.816 -11.717 638 H LEU 22 H LEU 22 7.480 -0.443 -8.919 639 HA LEU 22 HA LEU 22 5.686 0.978 -10.644 640 1HB LEU 22 2HB LEU 22 5.307 0.220 -7.749 641 2HB LEU 22 1HB LEU 22 4.057 0.856 -8.793 642 HG LEU 22 HG LEU 22 5.481 -1.796 -8.980 643 1HD1 LEU 22 1HD1 LEU 22 3.565 -1.897 -7.554 644 2HD1 LEU 22 2HD1 LEU 22 3.021 -2.537 -9.110 645 3HD1 LEU 22 3HD1 LEU 22 2.614 -0.887 -8.640 646 1HD2 LEU 22 1HD2 LEU 22 5.448 -1.114 -11.214 647 2HD2 LEU 22 2HD2 LEU 22 3.910 -0.259 -11.012 648 3HD2 LEU 22 3HD2 LEU 22 3.945 -2.012 -11.039 649 H ASN 23 H ASN 23 4.488 2.833 -10.141 650 HA ASN 23 HA ASN 23 6.119 4.999 -9.040 651 1HB ASN 23 2HB ASN 23 5.307 5.761 -11.035 652 2HB ASN 23 1HB ASN 23 3.974 4.658 -11.044 653 1HD2 ASN 23 1HD2 ASN 23 4.951 7.426 -8.987 654 2HD2 ASN 23 2HD2 ASN 23 3.437 8.180 -9.058 655 H SER 24 H SER 24 5.134 6.515 -7.491 656 HA SER 24 HA SER 24 3.846 5.261 -5.327 657 1HB SER 24 2HB SER 24 3.815 8.217 -6.003 658 2HB SER 24 1HB SER 24 3.518 7.503 -4.420 659 HG SER 24 HG SER 24 5.607 7.035 -4.225 660 H LEU 25 H LEU 25 2.584 7.249 -7.958 661 HA LEU 25 HA LEU 25 -0.134 7.150 -7.151 662 1HB LEU 25 2HB LEU 25 1.374 8.407 -9.222 663 2HB LEU 25 1HB LEU 25 0.027 7.568 -9.940 664 HG LEU 25 HG LEU 25 -0.225 9.394 -7.597 665 1HD1 LEU 25 1HD1 LEU 25 -1.135 11.051 -9.181 666 2HD1 LEU 25 2HD1 LEU 25 -0.795 9.953 -10.519 667 3HD1 LEU 25 3HD1 LEU 25 0.532 10.649 -9.589 668 1HD2 LEU 25 1HD2 LEU 25 -2.650 9.248 -8.845 669 2HD2 LEU 25 2HD2 LEU 25 -2.166 8.232 -7.487 670 3HD2 LEU 25 3HD2 LEU 25 -1.996 7.636 -9.137 671 H GLN 26 H GLN 26 1.873 5.166 -9.315 672 HA GLN 26 HA GLN 26 -0.230 3.651 -10.447 673 1HB GLN 26 2HB GLN 26 2.691 3.138 -9.980 674 2HB GLN 26 1HB GLN 26 1.652 1.892 -10.659 675 1HG GLN 26 2HG GLN 26 1.041 3.387 -12.511 676 2HG GLN 26 1HG GLN 26 2.055 4.668 -11.820 677 1HE2 GLN 26 1HE2 GLN 26 3.715 1.918 -11.086 678 2HE2 GLN 26 2HE2 GLN 26 4.691 1.804 -12.464 679 H VAL 27 H VAL 27 1.749 3.337 -7.587 680 HA VAL 27 HA VAL 27 0.802 0.826 -6.748 681 HB VAL 27 HB VAL 27 2.110 3.091 -5.249 682 1HG1 VAL 27 1HG1 VAL 27 2.564 0.826 -3.761 683 2HG1 VAL 27 2HG1 VAL 27 0.897 0.574 -4.267 684 3HG1 VAL 27 3HG1 VAL 27 1.337 2.030 -3.381 685 1HG2 VAL 27 1HG2 VAL 27 3.580 0.621 -5.490 686 2HG2 VAL 27 2HG2 VAL 27 4.001 2.212 -6.115 687 3HG2 VAL 27 3HG2 VAL 27 3.006 1.118 -7.079 688 H VAL 28 H VAL 28 -0.135 4.125 -5.991 689 HA VAL 28 HA VAL 28 -2.214 3.496 -4.207 690 HB VAL 28 HB VAL 28 -1.940 5.863 -6.087 691 1HG1 VAL 28 1HG1 VAL 28 -3.352 6.342 -3.609 692 2HG1 VAL 28 2HG1 VAL 28 -4.089 5.003 -4.483 693 3HG1 VAL 28 3HG1 VAL 28 -3.913 6.569 -5.268 694 1HG2 VAL 28 1HG2 VAL 28 -0.420 6.721 -4.638 695 2HG2 VAL 28 2HG2 VAL 28 -0.327 5.126 -3.895 696 3HG2 VAL 28 3HG2 VAL 28 -1.433 6.335 -3.246 697 H ALA 29 H ALA 29 -1.940 3.578 -7.706 698 HA ALA 29 HA ALA 29 -4.656 3.463 -8.429 699 1HB ALA 29 1HB ALA 29 -3.829 3.253 -10.540 700 2HB ALA 29 2HB ALA 29 -2.795 1.888 -10.103 701 3HB ALA 29 3HB ALA 29 -2.260 3.540 -9.787 702 H PHE 30 H PHE 30 -2.248 0.944 -7.727 703 HA PHE 30 HA PHE 30 -4.025 -1.211 -8.141 704 1HB PHE 30 2HB PHE 30 -1.309 -0.973 -6.789 705 2HB PHE 30 1HB PHE 30 -2.136 -2.500 -7.127 706 HD1 PHE 30 1HD PHE 30 0.430 -0.553 -8.352 707 HD2 PHE 30 2HD PHE 30 -3.244 -2.337 -9.772 708 HE1 PHE 30 1HE PHE 30 1.223 -0.395 -10.665 709 HE2 PHE 30 2HE PHE 30 -2.408 -2.161 -12.070 710 HZ PHE 30 HZ PHE 30 -0.186 -1.208 -12.527 711 H ILE 31 H ILE 31 -2.811 0.511 -5.250 712 HA ILE 31 HA ILE 31 -4.089 -1.086 -3.311 713 HB ILE 31 HB ILE 31 -3.433 1.878 -3.243 714 1HG1 ILE 31 2HG1 ILE 31 -1.916 -0.420 -1.972 715 2HG1 ILE 31 1HG1 ILE 31 -1.528 0.171 -3.582 716 1HG2 ILE 31 1HG2 ILE 31 -5.067 1.352 -1.511 717 2HG2 ILE 31 2HG2 ILE 31 -3.484 1.537 -0.756 718 3HG2 ILE 31 3HG2 ILE 31 -4.145 -0.071 -1.035 719 1HD1 ILE 31 1HD1 ILE 31 -0.089 1.280 -1.909 720 2HD1 ILE 31 2HD1 ILE 31 -1.525 1.827 -1.033 721 3HD1 ILE 31 3HD1 ILE 31 -1.190 2.445 -2.654 722 H ASN 32 H ASN 32 -5.172 1.802 -5.036 723 HA ASN 32 HA ASN 32 -7.717 2.087 -3.853 724 1HB ASN 32 2HB ASN 32 -6.487 2.968 -6.438 725 2HB ASN 32 1HB ASN 32 -8.238 3.028 -6.310 726 1HD2 ASN 32 1HD2 ASN 32 -5.761 5.072 -6.099 727 2HD2 ASN 32 2HD2 ASN 32 -6.277 6.080 -4.834 728 H SER 33 H SER 33 -6.570 -0.084 -6.416 729 HA SER 33 HA SER 33 -9.207 -0.809 -7.235 730 1HB SER 33 2HB SER 33 -6.454 -1.568 -7.994 731 2HB SER 33 1HB SER 33 -7.764 -2.692 -8.383 732 HG SER 33 HG SER 33 -7.750 0.083 -8.990 733 H LEU 34 H LEU 34 -6.872 -1.912 -4.876 734 HA LEU 34 HA LEU 34 -8.051 -4.473 -4.353 735 1HB LEU 34 2HB LEU 34 -6.827 -2.684 -2.238 736 2HB LEU 34 1HB LEU 34 -6.894 -4.434 -2.267 737 HG LEU 34 HG LEU 34 -5.253 -2.708 -4.120 738 1HD1 LEU 34 1HD1 LEU 34 -4.069 -4.721 -2.289 739 2HD1 LEU 34 2HD1 LEU 34 -4.651 -3.201 -1.596 740 3HD1 LEU 34 3HD1 LEU 34 -3.417 -3.177 -2.862 741 1HD2 LEU 34 1HD2 LEU 34 -4.281 -4.868 -4.833 742 2HD2 LEU 34 2HD2 LEU 34 -5.985 -4.716 -5.220 743 3HD2 LEU 34 3HD2 LEU 34 -5.484 -5.681 -3.854 744 H ARG 35 H ARG 35 -8.375 -1.210 -3.162 745 HA ARG 35 HA ARG 35 -10.497 -1.445 -1.325 746 1HB ARG 35 2HB ARG 35 -9.028 0.618 -2.650 747 2HB ARG 35 1HB ARG 35 -10.731 0.976 -2.876 748 1HG ARG 35 2HG ARG 35 -10.978 1.604 -0.726 749 2HG ARG 35 1HG ARG 35 -10.165 0.164 -0.124 750 1HD ARG 35 2HD ARG 35 -8.012 1.437 -1.063 751 2HD ARG 35 1HD ARG 35 -9.037 2.846 -0.805 752 HE ARG 35 HE ARG 35 -7.764 1.278 1.217 753 1HH1 ARG 35 1HH1 ARG 35 -10.552 0.813 2.026 754 2HH1 ARG 35 2HH1 ARG 35 -10.937 2.208 2.976 755 1HH2 ARG 35 1HH2 ARG 35 -8.285 4.083 1.774 756 2HH2 ARG 35 2HH2 ARG 35 -9.655 4.059 2.833 757 H ASP 36 H ASP 36 -10.508 -0.826 -4.820 758 HA ASP 36 HA ASP 36 -13.275 -0.546 -5.204 759 1HB ASP 36 2HB ASP 36 -11.484 0.038 -6.860 760 2HB ASP 36 1HB ASP 36 -11.257 -1.682 -7.163 761 H ASP 37 H ASP 37 -11.182 -3.381 -5.221 762 HA ASP 37 HA ASP 37 -13.382 -5.144 -4.591 763 1HB ASP 37 2HB ASP 37 -12.141 -5.135 -7.326 764 2HB ASP 37 1HB ASP 37 -12.645 -6.662 -6.609 765 HA PRO 38 HA PRO 38 -9.544 -6.426 -2.622 766 1HB PRO 38 2HB PRO 38 -11.147 -7.904 -0.760 767 2HB PRO 38 1HB PRO 38 -10.203 -6.441 -0.482 768 1HG PRO 38 2HG PRO 38 -12.985 -6.668 -0.519 769 2HG PRO 38 1HG PRO 38 -12.038 -5.177 -0.488 770 1HD PRO 38 2HD PRO 38 -13.531 -6.368 -2.707 771 2HD PRO 38 1HD PRO 38 -12.874 -4.726 -2.543 772 H SER 39 H SER 39 -12.202 -8.275 -3.853 773 HA SER 39 HA SER 39 -11.232 -10.896 -3.455 774 1HB SER 39 2HB SER 39 -12.970 -9.859 -5.713 775 2HB SER 39 1HB SER 39 -12.809 -11.539 -5.204 776 HG SER 39 HG SER 39 -13.720 -9.400 -3.566 777 H GLN 40 H GLN 40 -10.805 -8.507 -6.030 778 HA GLN 40 HA GLN 40 -8.908 -10.269 -7.354 779 1HB GLN 40 2HB GLN 40 -9.419 -7.701 -8.656 780 2HB GLN 40 1HB GLN 40 -9.453 -9.321 -9.308 781 1HG GLN 40 2HG GLN 40 -11.682 -9.638 -8.080 782 2HG GLN 40 1HG GLN 40 -11.666 -7.894 -7.843 783 1HE2 GLN 40 1HE2 GLN 40 -12.815 -10.241 -9.898 784 2HE2 GLN 40 2HE2 GLN 40 -12.975 -9.315 -11.312 785 H SER 41 H SER 41 -8.328 -8.801 -4.789 786 HA SER 41 HA SER 41 -6.682 -6.597 -5.238 787 1HB SER 41 2HB SER 41 -6.634 -8.821 -3.187 788 2HB SER 41 1HB SER 41 -5.428 -7.543 -3.160 789 HG SER 41 HG SER 41 -7.449 -6.145 -3.318 790 H ALA 42 H ALA 42 -6.189 -9.973 -5.689 791 HA ALA 42 HA ALA 42 -3.367 -9.963 -6.112 792 1HB ALA 42 1HB ALA 42 -3.677 -12.244 -6.720 793 2HB ALA 42 2HB ALA 42 -5.378 -11.973 -7.118 794 3HB ALA 42 3HB ALA 42 -4.844 -11.918 -5.434 795 H ASN 43 H ASN 43 -6.182 -9.391 -8.082 796 HA ASN 43 HA ASN 43 -5.106 -9.906 -10.636 797 1HB ASN 43 2HB ASN 43 -7.504 -9.750 -9.886 798 2HB ASN 43 1HB ASN 43 -7.306 -8.002 -10.017 799 1HD2 ASN 43 1HD2 ASN 43 -6.341 -7.294 -12.262 800 2HD2 ASN 43 2HD2 ASN 43 -6.926 -8.123 -13.623 801 H LEU 44 H LEU 44 -5.793 -6.827 -8.994 802 HA LEU 44 HA LEU 44 -4.444 -5.395 -11.016 803 1HB LEU 44 2HB LEU 44 -4.968 -3.369 -9.818 804 2HB LEU 44 1HB LEU 44 -6.378 -4.396 -9.884 805 HG LEU 44 HG LEU 44 -6.031 -3.282 -7.725 806 1HD1 LEU 44 1HD1 LEU 44 -7.013 -5.704 -8.267 807 2HD1 LEU 44 2HD1 LEU 44 -7.109 -4.886 -6.714 808 3HD1 LEU 44 3HD1 LEU 44 -5.832 -6.075 -7.016 809 1HD2 LEU 44 1HD2 LEU 44 -3.958 -5.168 -6.933 810 2HD2 LEU 44 2HD2 LEU 44 -4.269 -3.520 -6.410 811 3HD2 LEU 44 3HD2 LEU 44 -3.456 -3.801 -7.933 812 H LEU 45 H LEU 45 -3.679 -6.920 -8.071 813 HA LEU 45 HA LEU 45 -1.146 -5.701 -7.564 814 1HB LEU 45 2HB LEU 45 -1.914 -7.022 -5.768 815 2HB LEU 45 1HB LEU 45 -2.480 -8.297 -6.834 816 HG LEU 45 HG LEU 45 -0.161 -8.920 -7.355 817 1HD1 LEU 45 1HD1 LEU 45 0.845 -6.689 -7.087 818 2HD1 LEU 45 2HD1 LEU 45 1.682 -7.884 -6.114 819 3HD1 LEU 45 3HD1 LEU 45 0.553 -6.765 -5.353 820 1HD2 LEU 45 1HD2 LEU 45 0.276 -9.069 -4.547 821 2HD2 LEU 45 2HD2 LEU 45 -0.364 -10.314 -5.613 822 3HD2 LEU 45 3HD2 LEU 45 -1.461 -9.193 -4.813 823 H ALA 46 H ALA 46 -2.508 -8.223 -9.492 824 HA ALA 46 HA ALA 46 -0.130 -9.333 -10.567 825 1HB ALA 46 1HB ALA 46 -2.961 -9.698 -10.904 826 2HB ALA 46 2HB ALA 46 -1.659 -10.732 -11.491 827 3HB ALA 46 3HB ALA 46 -2.261 -9.418 -12.498 828 H GLU 47 H GLU 47 -2.357 -6.782 -11.522 829 HA GLU 47 HA GLU 47 -1.133 -5.946 -13.904 830 1HB GLU 47 2HB GLU 47 -2.730 -4.368 -11.864 831 2HB GLU 47 1HB GLU 47 -2.276 -3.772 -13.455 832 1HG GLU 47 2HG GLU 47 -4.037 -6.144 -12.844 833 2HG GLU 47 1HG GLU 47 -4.562 -4.586 -13.454 834 H ALA 48 H ALA 48 -0.539 -5.287 -10.520 835 HA ALA 48 HA ALA 48 1.224 -3.087 -10.831 836 1HB ALA 48 1HB ALA 48 1.144 -3.114 -8.574 837 2HB ALA 48 2HB ALA 48 1.562 -4.828 -8.500 838 3HB ALA 48 3HB ALA 48 -0.110 -4.335 -8.781 839 H LYS 49 H LYS 49 1.707 -6.516 -10.141 840 HA LYS 49 HA LYS 49 4.521 -6.412 -10.066 841 1HB LYS 49 2HB LYS 49 2.512 -8.601 -10.485 842 2HB LYS 49 1HB LYS 49 4.242 -8.931 -10.500 843 1HG LYS 49 2HG LYS 49 4.377 -7.844 -8.236 844 2HG LYS 49 1HG LYS 49 2.615 -7.753 -8.239 845 1HD LYS 49 2HD LYS 49 4.178 -10.332 -8.595 846 2HD LYS 49 1HD LYS 49 3.533 -9.782 -7.055 847 1HE LYS 49 2HE LYS 49 1.336 -9.578 -8.738 848 2HE LYS 49 1HE LYS 49 2.141 -11.037 -9.312 849 1HZ LYS 49 1HZ LYS 49 1.666 -10.568 -6.434 850 2HZ LYS 49 2HZ LYS 49 1.984 -12.033 -7.233 851 3HZ LYS 49 3HZ LYS 49 0.478 -11.269 -7.421 852 H LYS 50 H LYS 50 2.147 -6.738 -12.579 853 HA LYS 50 HA LYS 50 3.958 -7.278 -14.734 854 1HB LYS 50 2HB LYS 50 1.111 -6.349 -14.588 855 2HB LYS 50 1HB LYS 50 1.979 -6.441 -16.120 856 1HG LYS 50 2HG LYS 50 2.553 -8.865 -15.481 857 2HG LYS 50 1HG LYS 50 1.336 -8.715 -14.222 858 1HD LYS 50 2HD LYS 50 0.826 -8.233 -17.172 859 2HD LYS 50 1HD LYS 50 0.440 -9.726 -16.321 860 1HE LYS 50 2HE LYS 50 -1.602 -8.687 -16.114 861 2HE LYS 50 1HE LYS 50 -0.823 -7.998 -14.690 862 1HZ LYS 50 1HZ LYS 50 -1.957 -6.474 -16.456 863 2HZ LYS 50 2HZ LYS 50 -0.483 -6.659 -17.279 864 3HZ LYS 50 3HZ LYS 50 -0.509 -5.995 -15.717 865 H LEU 51 H LEU 51 2.494 -4.383 -13.319 866 HA LEU 51 HA LEU 51 3.485 -2.579 -15.296 867 1HB LEU 51 2HB LEU 51 2.040 -2.379 -12.773 868 2HB LEU 51 1HB LEU 51 3.266 -1.125 -12.916 869 HG LEU 51 HG LEU 51 1.043 -0.499 -13.885 870 1HD1 LEU 51 1HD1 LEU 51 2.243 0.047 -16.232 871 2HD1 LEU 51 2HD1 LEU 51 3.662 -0.459 -15.307 872 3HD1 LEU 51 3HD1 LEU 51 2.655 0.884 -14.731 873 1HD2 LEU 51 1HD2 LEU 51 1.328 -1.832 -16.408 874 2HD2 LEU 51 2HD2 LEU 51 -0.008 -1.950 -15.261 875 3HD2 LEU 51 3HD2 LEU 51 1.356 -3.063 -15.142 876 H ASN 52 H ASN 52 4.611 -3.742 -12.230 877 HA ASN 52 HA ASN 52 6.954 -2.158 -12.040 878 1HB ASN 52 2HB ASN 52 6.203 -3.372 -10.109 879 2HB ASN 52 1HB ASN 52 6.262 -4.901 -10.968 880 1HD2 ASN 52 1HD2 ASN 52 8.443 -5.683 -11.600 881 2HD2 ASN 52 2HD2 ASN 52 9.797 -5.219 -10.690 882 H ASP 53 H ASP 53 6.078 -5.193 -13.513 883 HA ASP 53 HA ASP 53 8.683 -5.857 -14.504 884 1HB ASP 53 2HB ASP 53 6.666 -7.428 -14.312 885 2HB ASP 53 1HB ASP 53 6.085 -6.680 -15.799 886 H ALA 54 H ALA 54 5.976 -3.982 -15.671 887 HA ALA 54 HA ALA 54 6.794 -3.578 -18.339 888 1HB ALA 54 1HB ALA 54 4.523 -3.116 -17.153 889 2HB ALA 54 2HB ALA 54 5.040 -2.053 -18.463 890 3HB ALA 54 3HB ALA 54 5.232 -1.543 -16.787 891 H GLN 55 H GLN 55 7.421 -1.856 -15.323 892 HA GLN 55 HA GLN 55 9.058 0.156 -16.661 893 1HB GLN 55 2HB GLN 55 8.251 -0.283 -13.827 894 2HB GLN 55 1HB GLN 55 9.260 1.052 -14.348 895 1HG GLN 55 2HG GLN 55 7.517 2.085 -15.483 896 2HG GLN 55 1HG GLN 55 6.654 0.568 -15.740 897 1HE2 GLN 55 1HE2 GLN 55 6.071 -0.522 -13.460 898 2HE2 GLN 55 2HE2 GLN 55 5.349 0.538 -12.351 899 H ALA 56 H ALA 56 9.454 -2.929 -15.410 900 HA ALA 56 HA ALA 56 12.038 -2.691 -14.190 901 1HB ALA 56 1HB ALA 56 12.095 -5.157 -14.397 902 2HB ALA 56 2HB ALA 56 10.649 -5.096 -15.394 903 3HB ALA 56 3HB ALA 56 10.572 -4.607 -13.708 904 HA PRO 57 HA PRO 57 14.597 -2.851 -17.719 905 1HB PRO 57 2HB PRO 57 16.602 -4.554 -16.536 906 2HB PRO 57 1HB PRO 57 16.583 -2.790 -16.631 907 1HG PRO 57 2HG PRO 57 16.361 -4.232 -14.316 908 2HG PRO 57 1HG PRO 57 15.807 -2.565 -14.533 909 1HD PRO 57 2HD PRO 57 14.219 -5.105 -14.596 910 2HD PRO 57 1HD PRO 57 13.797 -3.520 -13.902 911 H LYS 58 H LYS 58 12.560 -4.813 -17.747 912 HA LYS 58 HA LYS 58 13.623 -7.331 -18.644 913 1HB LYS 58 2HB LYS 58 10.977 -6.169 -18.171 914 2HB LYS 58 1HB LYS 58 11.028 -7.337 -19.483 915 1HG LYS 58 2HG LYS 58 10.599 -8.648 -17.559 916 2HG LYS 58 1HG LYS 58 12.330 -8.845 -17.830 917 1HD LYS 58 2HD LYS 58 12.636 -6.851 -16.215 918 2HD LYS 58 1HD LYS 58 10.945 -7.104 -15.782 919 1HE LYS 58 2HE LYS 58 13.156 -9.170 -15.566 920 2HE LYS 58 1HE LYS 58 12.404 -8.312 -14.221 921 1HZ LYS 58 1HZ LYS 58 10.236 -9.267 -15.226 922 2HZ LYS 58 2HZ LYS 58 11.223 -10.264 -14.267 923 3HZ LYS 58 3HZ LYS 58 11.269 -10.395 -15.960 Start of MODEL 22 1 1H VAL 1 1HT VAL 1 13.362 -14.578 4.871 2 2H VAL 1 2HT VAL 1 13.341 -15.996 5.803 3 3H VAL 1 3HT VAL 1 14.559 -14.838 6.042 4 HA VAL 1 HA VAL 1 12.776 -14.835 7.764 5 HB VAL 1 HB VAL 1 12.508 -12.335 7.695 6 1HG1 VAL 1 1HG1 VAL 1 15.304 -13.279 6.983 7 2HG1 VAL 1 2HG1 VAL 1 14.569 -13.455 8.578 8 3HG1 VAL 1 3HG1 VAL 1 14.879 -11.848 7.922 9 1HG2 VAL 1 1HG2 VAL 1 13.964 -12.603 5.037 10 2HG2 VAL 1 2HG2 VAL 1 13.570 -11.091 5.852 11 3HG2 VAL 1 3HG2 VAL 1 12.280 -12.115 5.227 12 H ASP 2 H ASP 2 10.619 -13.957 8.233 13 HA ASP 2 HA ASP 2 8.665 -14.931 6.384 14 1HB ASP 2 2HB ASP 2 8.462 -14.924 8.914 15 2HB ASP 2 1HB ASP 2 8.151 -13.192 8.805 16 H ASN 3 H ASN 3 7.076 -13.771 5.267 17 HA ASN 3 HA ASN 3 7.955 -11.220 4.222 18 1HB ASN 3 2HB ASN 3 6.741 -13.259 3.022 19 2HB ASN 3 1HB ASN 3 5.289 -12.403 3.533 20 1HD2 ASN 3 1HD2 ASN 3 4.671 -11.655 1.425 21 2HD2 ASN 3 2HD2 ASN 3 5.600 -10.546 0.539 22 H LYS 4 H LYS 4 6.896 -11.564 7.089 23 HA LYS 4 HA LYS 4 4.409 -10.339 7.418 24 1HB LYS 4 2HB LYS 4 5.758 -11.402 9.240 25 2HB LYS 4 1HB LYS 4 6.817 -9.992 9.226 26 1HG LYS 4 2HG LYS 4 4.872 -8.538 9.730 27 2HG LYS 4 1HG LYS 4 3.828 -9.959 9.769 28 1HD LYS 4 2HD LYS 4 5.253 -10.887 11.612 29 2HD LYS 4 1HD LYS 4 6.158 -9.371 11.622 30 1HE LYS 4 2HE LYS 4 4.054 -8.137 12.090 31 2HE LYS 4 1HE LYS 4 3.182 -9.670 12.135 32 1HZ LYS 4 1HZ LYS 4 5.423 -8.889 13.921 33 2HZ LYS 4 2HZ LYS 4 4.615 -10.383 13.953 34 3HZ LYS 4 3HZ LYS 4 3.785 -8.956 14.353 35 H PHE 5 H PHE 5 7.622 -8.869 7.040 36 HA PHE 5 HA PHE 5 6.933 -6.220 7.498 37 1HB PHE 5 2HB PHE 5 8.993 -5.619 6.540 38 2HB PHE 5 1HB PHE 5 9.275 -7.230 7.190 39 HD1 PHE 5 1HD PHE 5 9.253 -5.158 4.221 40 HD2 PHE 5 2HD PHE 5 9.128 -9.232 5.609 41 HE1 PHE 5 1HE PHE 5 9.928 -5.956 1.972 42 HE2 PHE 5 2HE PHE 5 9.804 -10.019 3.359 43 HZ PHE 5 HZ PHE 5 10.205 -8.382 1.544 44 H ASN 6 H ASN 6 6.665 -8.197 4.559 45 HA ASN 6 HA ASN 6 5.904 -6.123 2.786 46 1HB ASN 6 2HB ASN 6 6.578 -8.421 2.091 47 2HB ASN 6 1HB ASN 6 5.063 -9.019 2.745 48 1HD2 ASN 6 1HD2 ASN 6 4.091 -9.647 0.767 49 2HD2 ASN 6 2HD2 ASN 6 3.702 -8.542 -0.469 50 H LYS 7 H LYS 7 4.086 -8.356 4.852 51 HA LYS 7 HA LYS 7 1.499 -7.535 4.105 52 1HB LYS 7 2HB LYS 7 2.134 -9.607 5.441 53 2HB LYS 7 1HB LYS 7 2.344 -8.549 6.833 54 1HG LYS 7 2HG LYS 7 0.031 -7.873 6.762 55 2HG LYS 7 1HG LYS 7 -0.219 -8.705 5.227 56 1HD LYS 7 2HD LYS 7 0.824 -10.364 7.467 57 2HD LYS 7 1HD LYS 7 -0.844 -9.812 7.616 58 1HE LYS 7 2HE LYS 7 -1.253 -10.697 5.281 59 2HE LYS 7 1HE LYS 7 0.360 -11.408 5.345 60 1HZ LYS 7 1HZ LYS 7 -1.584 -12.858 6.037 61 2HZ LYS 7 2HZ LYS 7 -1.643 -11.921 7.453 62 3HZ LYS 7 3HZ LYS 7 -0.246 -12.814 7.080 63 H GLU 8 H GLU 8 3.783 -6.498 6.581 64 HA GLU 8 HA GLU 8 2.090 -4.522 7.704 65 1HB GLU 8 2HB GLU 8 5.073 -4.974 7.833 66 2HB GLU 8 1HB GLU 8 4.261 -3.669 8.710 67 1HG GLU 8 2HG GLU 8 3.756 -6.647 9.011 68 2HG GLU 8 1HG GLU 8 4.516 -5.590 10.193 69 H LEU 9 H LEU 9 4.494 -4.515 5.199 70 HA LEU 9 HA LEU 9 4.682 -1.715 4.682 71 1HB LEU 9 2HB LEU 9 6.325 -3.243 3.779 72 2HB LEU 9 1HB LEU 9 5.083 -4.173 2.957 73 HG LEU 9 HG LEU 9 4.552 -2.002 1.667 74 1HD1 LEU 9 1HD1 LEU 9 5.803 -0.189 1.959 75 2HD1 LEU 9 2HD1 LEU 9 7.286 -1.086 1.794 76 3HD1 LEU 9 3HD1 LEU 9 6.525 -0.935 3.385 77 1HD2 LEU 9 1HD2 LEU 9 6.444 -2.412 0.118 78 2HD2 LEU 9 2HD2 LEU 9 5.616 -3.882 0.628 79 3HD2 LEU 9 3HD2 LEU 9 7.170 -3.459 1.338 80 H GLY 10 H GLY 10 2.539 -4.280 3.517 81 1HA GLY 10 2HA GLY 10 1.054 -2.544 1.824 82 2HA GLY 10 1HA GLY 10 0.636 -4.189 2.279 83 H TRP 11 H TRP 11 0.771 -3.851 5.102 84 HA TRP 11 HA TRP 11 -1.818 -2.891 5.429 85 1HB TRP 11 2HB TRP 11 -0.476 -4.633 6.880 86 2HB TRP 11 1HB TRP 11 -0.232 -3.191 7.872 87 HD1 TRP 11 HD TRP 11 -1.906 -3.783 9.738 88 HE1 TRP 11 1HE TRP 11 -4.472 -3.986 9.851 89 HE3 TRP 11 3HE TRP 11 -3.128 -3.712 4.742 90 HZ2 TRP 11 2HZ TRP 11 -6.720 -4.024 8.115 91 HZ3 TRP 11 3HZ TRP 11 -5.430 -3.783 4.011 92 HH2 TRP 11 HH TRP 11 -7.270 -3.960 5.695 93 H ALA 12 H ALA 12 1.216 -1.560 6.535 94 HA ALA 12 HA ALA 12 0.065 0.658 7.760 95 1HB ALA 12 1HB ALA 12 2.756 0.008 6.643 96 2HB ALA 12 2HB ALA 12 2.310 0.461 8.284 97 3HB ALA 12 3HB ALA 12 2.415 1.693 7.025 98 H THR 13 H THR 13 1.010 -0.024 4.419 99 HA THR 13 HA THR 13 0.619 2.472 3.198 100 HB THR 13 HB THR 13 0.389 -0.379 2.347 101 HG1 THR 13 1HG THR 13 2.395 0.167 2.206 102 1HG2 THR 13 1HG2 THR 13 -1.336 0.617 1.013 103 2HG2 THR 13 2HG2 THR 13 0.102 0.492 -0.002 104 3HG2 THR 13 3HG2 THR 13 -0.342 2.047 0.704 105 H TRP 14 H TRP 14 -1.641 -0.177 3.791 106 HA TRP 14 HA TRP 14 -3.975 0.945 2.690 107 1HB TRP 14 2HB TRP 14 -3.421 -1.428 3.522 108 2HB TRP 14 1HB TRP 14 -3.887 -0.842 5.099 109 HD1 TRP 14 HD TRP 14 -6.314 -1.014 5.685 110 HE1 TRP 14 1HE TRP 14 -8.477 -1.569 4.441 111 HE3 TRP 14 3HE TRP 14 -4.648 -0.775 0.830 112 HZ2 TRP 14 2HZ TRP 14 -9.384 -1.875 1.782 113 HZ3 TRP 14 3HZ TRP 14 -6.207 -1.196 -0.983 114 HH2 TRP 14 HH TRP 14 -8.540 -1.755 -0.523 115 H GLU 15 H GLU 15 -2.764 0.915 6.022 116 HA GLU 15 HA GLU 15 -4.961 2.244 7.181 117 1HB GLU 15 2HB GLU 15 -2.073 1.995 8.059 118 2HB GLU 15 1HB GLU 15 -3.378 2.599 9.085 119 1HG GLU 15 2HG GLU 15 -4.537 0.492 9.010 120 2HG GLU 15 1HG GLU 15 -3.505 -0.115 7.717 121 H ILE 16 H ILE 16 -1.914 3.416 5.821 122 HA ILE 16 HA ILE 16 -2.310 6.197 6.447 123 HB ILE 16 HB ILE 16 -0.661 4.818 4.268 124 1HG1 ILE 16 2HG1 ILE 16 0.311 6.003 6.867 125 2HG1 ILE 16 1HG1 ILE 16 -0.087 4.314 6.711 126 1HG2 ILE 16 1HG2 ILE 16 0.511 7.281 4.967 127 2HG2 ILE 16 2HG2 ILE 16 -1.199 7.626 4.736 128 3HG2 ILE 16 3HG2 ILE 16 -0.269 6.871 3.445 129 1HD1 ILE 16 1HD1 ILE 16 2.398 5.369 6.217 130 2HD1 ILE 16 2HD1 ILE 16 1.702 5.356 4.590 131 3HD1 ILE 16 3HD1 ILE 16 1.807 3.860 5.525 132 H PHE 17 H PHE 17 -3.056 4.030 3.793 133 HA PHE 17 HA PHE 17 -4.071 5.839 1.865 134 1HB PHE 17 2HB PHE 17 -3.492 3.220 1.873 135 2HB PHE 17 1HB PHE 17 -5.205 3.089 2.159 136 HD1 PHE 17 1HD PHE 17 -2.616 4.388 -0.176 137 HD2 PHE 17 2HD PHE 17 -6.758 3.440 0.416 138 HE1 PHE 17 1HE PHE 17 -2.988 4.546 -2.613 139 HE2 PHE 17 2HE PHE 17 -7.150 3.606 -2.031 140 HZ PHE 17 HZ PHE 17 -5.258 4.153 -3.533 141 H ASN 18 H ASN 18 -5.507 4.061 4.539 142 HA ASN 18 HA ASN 18 -8.201 5.007 3.968 143 1HB ASN 18 2HB ASN 18 -7.126 3.219 6.161 144 2HB ASN 18 1HB ASN 18 -8.826 3.568 5.885 145 1HD2 ASN 18 1HD2 ASN 18 -7.057 3.316 2.920 146 2HD2 ASN 18 2HD2 ASN 18 -7.502 1.725 2.546 147 H LEU 19 H LEU 19 -5.655 6.526 5.470 148 HA LEU 19 HA LEU 19 -6.898 7.313 7.890 149 1HB LEU 19 2HB LEU 19 -4.485 8.121 6.424 150 2HB LEU 19 1HB LEU 19 -5.192 9.389 7.422 151 HG LEU 19 HG LEU 19 -4.431 6.602 8.379 152 1HD1 LEU 19 1HD1 LEU 19 -3.109 8.613 9.792 153 2HD1 LEU 19 2HD1 LEU 19 -3.006 9.083 8.112 154 3HD1 LEU 19 3HD1 LEU 19 -2.406 7.508 8.623 155 1HD2 LEU 19 1HD2 LEU 19 -6.257 8.482 9.487 156 2HD2 LEU 19 2HD2 LEU 19 -4.802 8.540 10.474 157 3HD2 LEU 19 3HD2 LEU 19 -5.649 7.007 10.223 158 HA PRO 20 HA PRO 20 -9.796 10.075 5.987 159 1HB PRO 20 2HB PRO 20 -10.602 11.047 8.588 160 2HB PRO 20 1HB PRO 20 -11.425 9.878 7.544 161 1HG PRO 20 2HG PRO 20 -10.297 9.274 9.945 162 2HG PRO 20 1HG PRO 20 -10.517 8.106 8.630 163 1HD PRO 20 2HD PRO 20 -8.052 9.630 9.400 164 2HD PRO 20 1HD PRO 20 -8.219 7.929 8.935 165 H ASN 21 H ASN 21 -6.895 11.289 6.959 166 HA ASN 21 HA ASN 21 -7.922 14.046 6.523 167 1HB ASN 21 2HB ASN 21 -6.207 13.307 8.887 168 2HB ASN 21 1HB ASN 21 -6.588 14.946 8.397 169 1HD2 ASN 21 1HD2 ASN 21 -7.658 12.359 10.337 170 2HD2 ASN 21 2HD2 ASN 21 -9.229 12.924 10.633 171 H LEU 22 H LEU 22 -5.641 11.765 5.727 172 HA LEU 22 HA LEU 22 -3.431 13.581 5.296 173 1HB LEU 22 2HB LEU 22 -3.889 10.775 4.291 174 2HB LEU 22 1HB LEU 22 -2.378 11.678 4.159 175 HG LEU 22 HG LEU 22 -3.773 10.928 6.746 176 1HD1 LEU 22 1HD1 LEU 22 -2.778 8.971 6.067 177 2HD1 LEU 22 2HD1 LEU 22 -1.436 9.727 6.922 178 3HD1 LEU 22 3HD1 LEU 22 -1.509 9.787 5.164 179 1HD2 LEU 22 1HD2 LEU 22 -1.401 12.639 6.078 180 2HD2 LEU 22 2HD2 LEU 22 -1.367 11.672 7.549 181 3HD2 LEU 22 3HD2 LEU 22 -2.635 12.877 7.324 182 H ASN 23 H ASN 23 -2.599 14.274 3.321 183 HA ASN 23 HA ASN 23 -4.657 14.646 1.267 184 1HB ASN 23 2HB ASN 23 -3.544 16.553 0.641 185 2HB ASN 23 1HB ASN 23 -3.006 16.465 2.312 186 1HD2 ASN 23 1HD2 ASN 23 -0.741 16.113 2.685 187 2HD2 ASN 23 2HD2 ASN 23 0.381 15.956 1.418 188 H GLY 24 H GLY 24 -4.087 14.302 -1.007 189 1HA GLY 24 2HA GLY 24 -3.361 11.738 -1.626 190 2HA GLY 24 1HA GLY 24 -3.226 13.073 -2.762 191 H VAL 25 H VAL 25 -1.194 14.552 -1.511 192 HA VAL 25 HA VAL 25 1.125 13.159 -2.415 193 HB VAL 25 HB VAL 25 0.926 15.719 -0.825 194 1HG1 VAL 25 1HG1 VAL 25 3.186 16.079 -2.044 195 2HG1 VAL 25 2HG1 VAL 25 3.176 14.331 -2.280 196 3HG1 VAL 25 3HG1 VAL 25 3.170 15.002 -0.647 197 1HG2 VAL 25 1HG2 VAL 25 -0.251 16.083 -2.838 198 2HG2 VAL 25 2HG2 VAL 25 0.833 15.040 -3.762 199 3HG2 VAL 25 3HG2 VAL 25 1.383 16.629 -3.219 200 H GLN 26 H GLN 26 -0.036 14.044 0.885 201 HA GLN 26 HA GLN 26 2.253 13.037 2.180 202 1HB GLN 26 2HB GLN 26 -0.418 13.923 2.990 203 2HB GLN 26 1HB GLN 26 0.275 12.687 4.039 204 1HG GLN 26 2HG GLN 26 2.073 14.016 4.674 205 2HG GLN 26 1HG GLN 26 2.046 14.950 3.174 206 1HE2 GLN 26 1HE2 GLN 26 -0.237 14.294 5.857 207 2HE2 GLN 26 2HE2 GLN 26 -0.705 15.912 6.053 208 H VAL 27 H VAL 27 -0.831 11.481 1.362 209 HA VAL 27 HA VAL 27 -0.230 8.966 2.547 210 HB VAL 27 HB VAL 27 -1.973 9.555 0.130 211 1HG1 VAL 27 1HG1 VAL 27 -1.426 7.187 0.254 212 2HG1 VAL 27 2HG1 VAL 27 -3.080 7.405 0.821 213 3HG1 VAL 27 3HG1 VAL 27 -1.774 7.161 1.983 214 1HG2 VAL 27 1HG2 VAL 27 -2.659 9.295 3.079 215 2HG2 VAL 27 2HG2 VAL 27 -3.824 9.514 1.773 216 3HG2 VAL 27 3HG2 VAL 27 -2.675 10.794 2.151 217 H LYS 28 H LYS 28 0.275 10.324 -0.653 218 HA LYS 28 HA LYS 28 1.446 8.095 -1.914 219 1HB LYS 28 2HB LYS 28 0.537 10.113 -3.059 220 2HB LYS 28 1HB LYS 28 1.873 11.064 -2.424 221 1HG LYS 28 2HG LYS 28 3.390 9.303 -3.597 222 2HG LYS 28 1HG LYS 28 1.927 8.859 -4.484 223 1HD LYS 28 2HD LYS 28 2.960 11.701 -4.284 224 2HD LYS 28 1HD LYS 28 3.361 10.623 -5.617 225 1HE LYS 28 2HE LYS 28 1.494 11.562 -6.558 226 2HE LYS 28 1HE LYS 28 0.664 10.338 -5.599 227 1HZ LYS 28 1HZ LYS 28 1.290 13.023 -4.523 228 2HZ LYS 28 2HZ LYS 28 0.189 11.878 -3.920 229 3HZ LYS 28 3HZ LYS 28 -0.147 12.704 -5.366 230 H ALA 29 H ALA 29 2.743 10.650 0.112 231 HA ALA 29 HA ALA 29 5.491 10.107 -0.344 232 1HB ALA 29 1HB ALA 29 5.905 11.597 1.466 233 2HB ALA 29 2HB ALA 29 4.258 11.407 2.062 234 3HB ALA 29 3HB ALA 29 4.556 12.256 0.545 235 H PHE 30 H PHE 30 3.174 9.210 2.152 236 HA PHE 30 HA PHE 30 4.997 7.822 3.752 237 1HB PHE 30 2HB PHE 30 2.009 7.490 3.459 238 2HB PHE 30 1HB PHE 30 2.991 6.790 4.744 239 HD1 PHE 30 1HD PHE 30 0.703 9.254 4.389 240 HD2 PHE 30 2HD PHE 30 4.853 8.876 5.530 241 HE1 PHE 30 1HE PHE 30 0.556 11.344 5.682 242 HE2 PHE 30 2HE PHE 30 4.676 10.982 6.795 243 HZ PHE 30 HZ PHE 30 2.537 12.202 6.869 244 H ILE 31 H ILE 31 3.003 7.004 0.963 245 HA ILE 31 HA ILE 31 3.598 4.231 0.961 246 HB ILE 31 HB ILE 31 2.604 6.136 -1.141 247 1HG1 ILE 31 2HG1 ILE 31 1.489 3.558 0.027 248 2HG1 ILE 31 1HG1 ILE 31 1.055 5.175 0.566 249 1HG2 ILE 31 1HG2 ILE 31 3.741 3.358 -1.573 250 2HG2 ILE 31 2HG2 ILE 31 3.965 4.803 -2.551 251 3HG2 ILE 31 3HG2 ILE 31 2.428 3.944 -2.590 252 1HD1 ILE 31 1HD1 ILE 31 -0.593 4.182 -1.036 253 2HD1 ILE 31 2HD1 ILE 31 0.671 4.167 -2.264 254 3HD1 ILE 31 3HD1 ILE 31 0.105 5.702 -1.603 255 H ASP 32 H ASP 32 4.975 7.021 -0.695 256 HA ASP 32 HA ASP 32 6.960 5.696 -2.108 257 1HB ASP 32 2HB ASP 32 6.291 8.097 -2.395 258 2HB ASP 32 1HB ASP 32 7.204 8.469 -0.935 259 H SER 33 H SER 33 7.004 6.974 1.128 260 HA SER 33 HA SER 33 9.726 6.395 1.733 261 1HB SER 33 2HB SER 33 7.306 6.769 3.522 262 2HB SER 33 1HB SER 33 8.978 6.698 4.085 263 HG SER 33 HG SER 33 7.977 8.527 2.156 264 H LEU 34 H LEU 34 6.699 4.685 2.006 265 HA LEU 34 HA LEU 34 7.463 2.377 3.491 266 1HB LEU 34 2HB LEU 34 5.263 3.310 1.774 267 2HB LEU 34 1HB LEU 34 5.516 1.597 1.743 268 HG LEU 34 HG LEU 34 5.595 2.649 4.432 269 1HD1 LEU 34 1HD1 LEU 34 3.349 3.366 2.640 270 2HD1 LEU 34 2HD1 LEU 34 3.891 4.151 4.119 271 3HD1 LEU 34 3HD1 LEU 34 2.905 2.696 4.202 272 1HD2 LEU 34 1HD2 LEU 34 5.410 0.349 4.138 273 2HD2 LEU 34 2HD2 LEU 34 4.198 0.498 2.885 274 3HD2 LEU 34 3HD2 LEU 34 3.776 0.820 4.569 275 H ARG 35 H ARG 35 7.164 2.895 -0.012 276 HA ARG 35 HA ARG 35 8.234 0.375 -0.800 277 1HB ARG 35 2HB ARG 35 8.898 2.458 -2.723 278 2HB ARG 35 1HB ARG 35 7.808 1.087 -2.896 279 1HG ARG 35 2HG ARG 35 6.107 2.409 -1.583 280 2HG ARG 35 1HG ARG 35 7.200 3.774 -1.695 281 1HD ARG 35 2HD ARG 35 5.241 2.890 -3.581 282 2HD ARG 35 1HD ARG 35 6.254 4.324 -3.633 283 HE ARG 35 HE ARG 35 7.788 3.148 -4.966 284 1HH1 ARG 35 1HH2 ARG 35 5.900 0.781 -3.506 285 2HH1 ARG 35 2HH2 ARG 35 5.806 -0.253 -4.899 286 1HH2 ARG 35 1HH1 ARG 35 7.313 2.046 -7.008 287 2HH2 ARG 35 2HH1 ARG 35 6.621 0.466 -6.880 288 H ASP 36 H ASP 36 9.717 3.559 -0.407 289 HA ASP 36 HA ASP 36 12.341 2.922 -1.174 290 1HB ASP 36 2HB ASP 36 11.430 5.225 -0.877 291 2HB ASP 36 1HB ASP 36 11.493 4.952 0.853 292 H ASP 37 H ASP 37 10.600 2.623 1.821 293 HA ASP 37 HA ASP 37 12.575 0.785 2.865 294 1HB ASP 37 2HB ASP 37 13.335 3.120 3.561 295 2HB ASP 37 1HB ASP 37 11.877 3.198 4.545 296 HA PRO 38 HA PRO 38 8.376 -0.477 3.859 297 1HB PRO 38 2HB PRO 38 9.350 -3.164 3.981 298 2HB PRO 38 1HB PRO 38 8.302 -2.425 2.782 299 1HG PRO 38 2HG PRO 38 10.911 -3.267 2.386 300 2HG PRO 38 1HG PRO 38 9.970 -2.219 1.315 301 1HD PRO 38 2HD PRO 38 12.141 -1.509 3.189 302 2HD PRO 38 1HD PRO 38 11.546 -0.641 1.756 303 H SER 39 H SER 39 11.364 -1.318 5.464 304 HA SER 39 HA SER 39 10.280 -2.492 7.793 305 1HB SER 39 2HB SER 39 12.715 -2.540 7.147 306 2HB SER 39 1HB SER 39 12.820 -0.842 7.598 307 HG SER 39 HG SER 39 12.245 -1.405 9.694 308 H GLN 40 H GLN 40 10.621 0.748 6.639 309 HA GLN 40 HA GLN 40 10.012 2.022 9.164 310 1HB GLN 40 2HB GLN 40 10.935 2.849 6.503 311 2HB GLN 40 1HB GLN 40 9.767 3.959 7.206 312 1HG GLN 40 2HG GLN 40 11.882 4.725 7.948 313 2HG GLN 40 1HG GLN 40 11.181 3.893 9.332 314 1HE2 GLN 40 1HE2 GLN 40 13.997 4.111 7.475 315 2HE2 GLN 40 2HE2 GLN 40 14.700 2.627 7.906 316 H SER 41 H SER 41 8.145 0.423 6.944 317 HA SER 41 HA SER 41 6.029 2.012 6.250 318 1HB SER 41 2HB SER 41 4.702 -0.038 6.200 319 2HB SER 41 1HB SER 41 6.332 -0.391 5.651 320 HG SER 41 HG SER 41 6.768 -1.361 7.556 321 H ALA 42 H ALA 42 6.615 0.514 9.394 322 HA ALA 42 HA ALA 42 4.117 1.104 10.613 323 1HB ALA 42 1HB ALA 42 5.838 -0.513 11.459 324 2HB ALA 42 2HB ALA 42 5.287 0.638 12.679 325 3HB ALA 42 3HB ALA 42 6.848 0.875 11.881 326 H ASN 43 H ASN 43 7.194 2.713 10.356 327 HA ASN 43 HA ASN 43 6.718 4.860 12.101 328 1HB ASN 43 2HB ASN 43 8.667 4.140 9.969 329 2HB ASN 43 1HB ASN 43 8.644 5.807 10.558 330 1HD2 ASN 43 1HD2 ASN 43 9.927 2.719 11.162 331 2HD2 ASN 43 2HD2 ASN 43 10.425 2.969 12.765 332 H LEU 44 H LEU 44 6.215 4.344 8.721 333 HA LEU 44 HA LEU 44 5.581 7.029 7.980 334 1HB LEU 44 2HB LEU 44 5.089 4.369 6.609 335 2HB LEU 44 1HB LEU 44 5.077 5.966 5.834 336 HG LEU 44 HG LEU 44 7.434 5.005 7.446 337 1HD1 LEU 44 1HD1 LEU 44 8.493 4.653 5.149 338 2HD1 LEU 44 2HD1 LEU 44 6.828 4.495 4.575 339 3HD1 LEU 44 3HD1 LEU 44 7.450 3.398 5.810 340 1HD2 LEU 44 1HD2 LEU 44 7.323 7.320 7.199 341 2HD2 LEU 44 2HD2 LEU 44 6.932 7.186 5.485 342 3HD2 LEU 44 3HD2 LEU 44 8.539 6.743 6.060 343 H LEU 45 H LEU 45 3.979 4.187 8.907 344 HA LEU 45 HA LEU 45 1.283 5.057 8.529 345 1HB LEU 45 2HB LEU 45 1.604 2.712 8.764 346 2HB LEU 45 1HB LEU 45 2.600 2.906 10.200 347 HG LEU 45 HG LEU 45 0.649 3.679 11.475 348 1HD1 LEU 45 1HD1 LEU 45 -1.629 3.359 10.298 349 2HD1 LEU 45 2HD1 LEU 45 -0.713 3.431 8.792 350 3HD1 LEU 45 3HD1 LEU 45 -0.703 4.805 9.896 351 1HD2 LEU 45 1HD2 LEU 45 -0.616 1.547 11.452 352 2HD2 LEU 45 2HD2 LEU 45 1.126 1.284 11.395 353 3HD2 LEU 45 3HD2 LEU 45 0.163 1.116 9.927 354 H ALA 46 H ALA 46 3.687 5.177 11.035 355 HA ALA 46 HA ALA 46 2.153 6.297 13.110 356 1HB ALA 46 1HB ALA 46 4.191 6.598 14.232 357 2HB ALA 46 2HB ALA 46 5.066 6.885 12.725 358 3HB ALA 46 3HB ALA 46 4.549 5.252 13.149 359 H GLU 47 H GLU 47 4.248 7.613 10.651 360 HA GLU 47 HA GLU 47 4.050 10.330 11.315 361 1HB GLU 47 2HB GLU 47 4.733 8.749 8.871 362 2HB GLU 47 1HB GLU 47 4.626 10.507 8.782 363 1HG GLU 47 2HG GLU 47 6.508 8.827 10.434 364 2HG GLU 47 1HG GLU 47 6.908 9.961 9.152 365 H ALA 48 H ALA 48 2.211 8.172 9.277 366 HA ALA 48 HA ALA 48 0.602 10.141 8.060 367 1HB ALA 48 1HB ALA 48 -0.833 8.056 7.652 368 2HB ALA 48 2HB ALA 48 0.450 7.179 8.478 369 3HB ALA 48 3HB ALA 48 0.794 8.069 6.995 370 H LYS 49 H LYS 49 0.182 7.984 10.846 371 HA LYS 49 HA LYS 49 -2.420 8.846 11.559 372 1HB LYS 49 2HB LYS 49 -0.169 7.704 13.236 373 2HB LYS 49 1HB LYS 49 -1.793 8.005 13.854 374 1HG LYS 49 2HG LYS 49 -1.313 6.303 11.399 375 2HG LYS 49 1HG LYS 49 -1.294 5.618 13.020 376 1HD LYS 49 2HD LYS 49 -3.593 6.467 13.393 377 2HD LYS 49 1HD LYS 49 -3.607 7.130 11.760 378 1HE LYS 49 2HE LYS 49 -3.289 4.866 10.829 379 2HE LYS 49 1HE LYS 49 -3.270 4.197 12.461 380 1HZ LYS 49 1HZ LYS 49 -5.538 5.668 12.432 381 2HZ LYS 49 2HZ LYS 49 -5.457 3.990 12.178 382 3HZ LYS 49 3HZ LYS 49 -5.496 5.052 10.852 383 H LYS 50 H LYS 50 0.791 10.133 12.032 384 HA LYS 50 HA LYS 50 0.030 12.087 13.956 385 1HB LYS 50 2HB LYS 50 2.346 11.164 13.702 386 2HB LYS 50 1HB LYS 50 2.460 12.007 12.163 387 1HG LYS 50 2HG LYS 50 1.786 14.116 13.617 388 2HG LYS 50 1HG LYS 50 2.409 13.135 14.944 389 1HD LYS 50 2HD LYS 50 3.964 13.603 12.388 390 2HD LYS 50 1HD LYS 50 4.113 14.655 13.794 391 1HE LYS 50 2HE LYS 50 4.846 12.767 15.171 392 2HE LYS 50 1HE LYS 50 4.606 11.658 13.819 393 1HZ LYS 50 1HZ LYS 50 6.691 12.092 13.260 394 2HZ LYS 50 2HZ LYS 50 6.816 13.363 14.380 395 3HZ LYS 50 3HZ LYS 50 6.196 13.655 12.825 396 H LEU 51 H LEU 51 0.564 12.018 10.503 397 HA LEU 51 HA LEU 51 0.104 14.782 10.097 398 1HB LEU 51 2HB LEU 51 0.445 12.396 8.363 399 2HB LEU 51 1HB LEU 51 -0.444 13.749 7.673 400 HG LEU 51 HG LEU 51 1.878 14.015 7.121 401 1HD1 LEU 51 1HD1 LEU 51 2.044 16.239 7.623 402 2HD1 LEU 51 2HD1 LEU 51 1.688 15.994 9.331 403 3HD1 LEU 51 3HD1 LEU 51 0.381 15.978 8.148 404 1HD2 LEU 51 1HD2 LEU 51 2.287 13.468 10.047 405 2HD2 LEU 51 2HD2 LEU 51 3.469 14.439 9.171 406 3HD2 LEU 51 3HD2 LEU 51 3.136 12.789 8.659 407 H ASN 52 H ASN 52 -1.858 11.899 9.934 408 HA ASN 52 HA ASN 52 -4.223 13.042 8.954 409 1HB ASN 52 2HB ASN 52 -3.829 10.644 8.999 410 2HB ASN 52 1HB ASN 52 -3.785 10.654 10.757 411 1HD2 ASN 52 1HD2 ASN 52 -5.820 10.875 11.896 412 2HD2 ASN 52 2HD2 ASN 52 -7.309 10.762 11.088 413 H ASP 53 H ASP 53 -3.005 12.385 12.214 414 HA ASP 53 HA ASP 53 -5.239 13.379 13.597 415 1HB ASP 53 2HB ASP 53 -2.365 13.020 14.420 416 2HB ASP 53 1HB ASP 53 -3.605 13.592 15.533 417 H ALA 54 H ALA 54 -2.259 14.862 12.487 418 HA ALA 54 HA ALA 54 -2.623 17.397 13.671 419 1HB ALA 54 1HB ALA 54 -0.442 16.792 12.884 420 2HB ALA 54 2HB ALA 54 -0.994 18.124 11.870 421 3HB ALA 54 3HB ALA 54 -1.053 16.468 11.264 422 H GLN 55 H GLN 55 -3.586 15.955 10.599 423 HA GLN 55 HA GLN 55 -4.801 18.416 9.621 424 1HB GLN 55 2HB GLN 55 -4.537 15.606 8.560 425 2HB GLN 55 1HB GLN 55 -5.494 16.843 7.732 426 1HG GLN 55 2HG GLN 55 -3.576 18.260 7.443 427 2HG GLN 55 1HG GLN 55 -2.599 17.268 8.524 428 1HE2 GLN 55 1HE2 GLN 55 -2.493 14.842 7.741 429 2HE2 GLN 55 2HE2 GLN 55 -2.227 14.629 6.081 430 H ALA 56 H ALA 56 -5.710 16.154 11.850 431 HA ALA 56 HA ALA 56 -8.439 15.677 11.118 432 1HB ALA 56 1HB ALA 56 -7.341 15.610 13.929 433 2HB ALA 56 2HB ALA 56 -7.021 14.321 12.770 434 3HB ALA 56 3HB ALA 56 -8.676 14.677 13.257 435 HA PRO 57 HA PRO 57 -10.328 19.330 12.579 436 1HB PRO 57 2HB PRO 57 -12.672 17.966 13.582 437 2HB PRO 57 1HB PRO 57 -12.460 18.765 12.019 438 1HG PRO 57 2HG PRO 57 -12.794 16.086 12.335 439 2HG PRO 57 1HG PRO 57 -11.941 16.825 10.967 440 1HD PRO 57 2HD PRO 57 -10.803 15.631 13.474 441 2HD PRO 57 1HD PRO 57 -10.270 15.421 11.786 442 H LYS 58 H LYS 58 -8.643 17.921 14.513 443 HA LYS 58 HA LYS 58 -8.089 17.860 16.728 444 1HB LYS 58 2HB LYS 58 -9.278 20.536 16.267 445 2HB LYS 58 1HB LYS 58 -8.818 20.100 17.905 446 1HG LYS 58 2HG LYS 58 -6.843 21.058 17.103 447 2HG LYS 58 1HG LYS 58 -6.563 19.349 16.783 448 1HD LYS 58 2HD LYS 58 -7.871 20.148 14.483 449 2HD LYS 58 1HD LYS 58 -6.936 21.585 14.889 450 1HE LYS 58 2HE LYS 58 -5.523 20.244 13.498 451 2HE LYS 58 1HE LYS 58 -4.913 20.052 15.142 452 1HZ LYS 58 1HZ LYS 58 -6.625 18.071 15.117 453 2HZ LYS 58 2HZ LYS 58 -5.045 17.884 14.519 454 3HZ LYS 58 3HZ LYS 58 -6.338 18.140 13.447 455 1H VAL 1 1HT VAL 1 -12.673 -8.824 7.420 456 2H VAL 1 2HT VAL 1 -12.113 -7.913 8.740 457 3H VAL 1 3HT VAL 1 -11.619 -7.520 7.162 458 HA VAL 1 HA VAL 1 -14.312 -7.200 8.357 459 HB VAL 1 HB VAL 1 -12.425 -5.233 7.006 460 1HG1 VAL 1 1HG1 VAL 1 -14.004 -3.553 8.020 461 2HG1 VAL 1 2HG1 VAL 1 -15.064 -4.889 8.469 462 3HG1 VAL 1 3HG1 VAL 1 -14.745 -4.551 6.768 463 1HG2 VAL 1 1HG2 VAL 1 -11.464 -5.898 9.130 464 2HG2 VAL 1 2HG2 VAL 1 -13.027 -5.759 9.937 465 3HG2 VAL 1 3HG2 VAL 1 -12.204 -4.313 9.352 466 H ASP 2 H ASP 2 -12.422 -6.729 5.370 467 HA ASP 2 HA ASP 2 -14.785 -6.691 3.698 468 1HB ASP 2 2HB ASP 2 -13.158 -6.451 1.852 469 2HB ASP 2 1HB ASP 2 -12.832 -5.305 3.146 470 H ASN 3 H ASN 3 -13.555 -8.173 1.494 471 HA ASN 3 HA ASN 3 -14.684 -10.694 1.824 472 1HB ASN 3 2HB ASN 3 -14.119 -9.591 -0.351 473 2HB ASN 3 1HB ASN 3 -12.422 -9.938 -0.042 474 1HD2 ASN 3 1HD2 ASN 3 -15.558 -11.746 -0.067 475 2HD2 ASN 3 2HD2 ASN 3 -14.912 -13.119 -0.827 476 H LYS 4 H LYS 4 -13.406 -12.816 1.614 477 HA LYS 4 HA LYS 4 -11.883 -13.265 3.900 478 1HB LYS 4 2HB LYS 4 -11.416 -15.461 3.024 479 2HB LYS 4 1HB LYS 4 -13.059 -15.022 2.570 480 1HG LYS 4 2HG LYS 4 -12.168 -14.261 0.346 481 2HG LYS 4 1HG LYS 4 -10.592 -14.896 0.817 482 1HD LYS 4 2HD LYS 4 -11.622 -16.624 -0.455 483 2HD LYS 4 1HD LYS 4 -11.760 -17.124 1.232 484 1HE LYS 4 2HE LYS 4 -14.049 -16.545 1.340 485 2HE LYS 4 1HE LYS 4 -13.957 -15.550 -0.114 486 1HZ LYS 4 1HZ LYS 4 -15.019 -17.746 -0.458 487 2HZ LYS 4 2HZ LYS 4 -13.541 -18.491 -0.080 488 3HZ LYS 4 3HZ LYS 4 -13.666 -17.490 -1.447 489 H PHE 5 H PHE 5 -10.961 -11.963 0.888 490 HA PHE 5 HA PHE 5 -8.171 -12.493 1.019 491 1HB PHE 5 2HB PHE 5 -9.942 -10.720 -0.631 492 2HB PHE 5 1HB PHE 5 -8.194 -10.482 -0.671 493 HD1 PHE 5 1HD PHE 5 -10.538 -13.393 -0.562 494 HD2 PHE 5 2HD PHE 5 -7.122 -11.581 -2.424 495 HE1 PHE 5 1HE PHE 5 -10.321 -15.352 -2.071 496 HE2 PHE 5 2HE PHE 5 -6.900 -13.537 -3.929 497 HZ PHE 5 HZ PHE 5 -8.495 -15.425 -3.748 498 H ASN 6 H ASN 6 -9.891 -10.766 3.184 499 HA ASN 6 HA ASN 6 -8.655 -8.245 3.338 500 1HB ASN 6 2HB ASN 6 -9.214 -8.262 5.720 501 2HB ASN 6 1HB ASN 6 -10.553 -8.903 4.779 502 1HD2 ASN 6 1HD2 ASN 6 -9.026 -11.566 4.435 503 2HD2 ASN 6 2HD2 ASN 6 -9.221 -12.334 5.936 504 H LYS 7 H LYS 7 -7.521 -11.402 4.378 505 HA LYS 7 HA LYS 7 -5.089 -10.466 5.599 506 1HB LYS 7 2HB LYS 7 -6.071 -12.612 6.246 507 2HB LYS 7 1HB LYS 7 -5.967 -13.192 4.585 508 1HG LYS 7 2HG LYS 7 -3.463 -12.914 4.716 509 2HG LYS 7 1HG LYS 7 -3.648 -12.527 6.429 510 1HD LYS 7 2HD LYS 7 -4.599 -14.705 6.888 511 2HD LYS 7 1HD LYS 7 -4.679 -15.089 5.170 512 1HE LYS 7 2HE LYS 7 -2.114 -14.586 6.715 513 2HE LYS 7 1HE LYS 7 -2.738 -16.176 6.279 514 1HZ LYS 7 1HZ LYS 7 -1.437 -15.840 4.485 515 2HZ LYS 7 2HZ LYS 7 -1.493 -14.146 4.602 516 3HZ LYS 7 3HZ LYS 7 -2.792 -14.997 3.910 517 H GLU 8 H GLU 8 -5.997 -12.011 2.566 518 HA GLU 8 HA GLU 8 -3.465 -12.075 1.326 519 1HB GLU 8 2HB GLU 8 -6.255 -12.010 0.110 520 2HB GLU 8 1HB GLU 8 -4.781 -12.492 -0.738 521 1HG GLU 8 2HG GLU 8 -6.120 -13.885 1.597 522 2HG GLU 8 1HG GLU 8 -5.851 -14.519 -0.024 523 H ARG 9 H ARG 9 -5.937 -9.618 1.490 524 HA ARG 9 HA ARG 9 -5.112 -7.992 -0.654 525 1HB ARG 9 2HB ARG 9 -7.328 -7.858 0.420 526 2HB ARG 9 1HB ARG 9 -6.575 -7.272 1.900 527 1HG ARG 9 2HG ARG 9 -5.598 -5.382 0.407 528 2HG ARG 9 1HG ARG 9 -6.807 -5.883 -0.770 529 1HD ARG 9 2HD ARG 9 -7.758 -4.116 0.573 530 2HD ARG 9 1HD ARG 9 -8.558 -5.624 1.009 531 HE ARG 9 HE ARG 9 -6.263 -4.687 2.609 532 1HH1 ARG 9 1HH2 ARG 9 -9.105 -3.412 2.983 533 2HH1 ARG 9 2HH2 ARG 9 -9.645 -4.297 4.368 534 1HH2 ARG 9 1HH1 ARG 9 -7.169 -6.706 4.116 535 2HH2 ARG 9 2HH1 ARG 9 -8.548 -6.162 5.010 536 H VAL 10 H VAL 10 -4.399 -7.987 2.824 537 HA VAL 10 HA VAL 10 -2.889 -5.643 2.955 538 HB VAL 10 HB VAL 10 -2.380 -8.117 4.579 539 1HG1 VAL 10 1HG1 VAL 10 -1.652 -5.248 4.818 540 2HG1 VAL 10 2HG1 VAL 10 -0.724 -6.690 5.204 541 3HG1 VAL 10 3HG1 VAL 10 -1.997 -6.144 6.302 542 1HG2 VAL 10 1HG2 VAL 10 -4.100 -6.285 5.955 543 2HG2 VAL 10 2HG2 VAL 10 -4.435 -7.948 5.474 544 3HG2 VAL 10 3HG2 VAL 10 -4.823 -6.630 4.373 545 H ILE 11 H ILE 11 -1.961 -8.924 2.087 546 HA ILE 11 HA ILE 11 0.836 -8.370 1.925 547 HB ILE 11 HB ILE 11 -0.704 -10.601 0.582 548 1HG1 ILE 11 2HG1 ILE 11 0.147 -10.090 3.417 549 2HG1 ILE 11 1HG1 ILE 11 -1.280 -10.923 2.812 550 1HG2 ILE 11 1HG2 ILE 11 1.718 -10.126 -0.115 551 2HG2 ILE 11 2HG2 ILE 11 1.428 -11.739 0.525 552 3HG2 ILE 11 3HG2 ILE 11 2.182 -10.513 1.544 553 1HD1 ILE 11 1HD1 ILE 11 1.526 -11.980 3.112 554 2HD1 ILE 11 2HD1 ILE 11 0.394 -12.746 1.996 555 3HD1 ILE 11 3HD1 ILE 11 0.018 -12.669 3.716 556 H ALA 12 H ALA 12 -1.849 -8.326 -0.411 557 HA ALA 12 HA ALA 12 -0.264 -7.858 -2.737 558 1HB ALA 12 1HB ALA 12 -2.414 -6.991 -3.679 559 2HB ALA 12 2HB ALA 12 -3.145 -7.196 -2.086 560 3HB ALA 12 3HB ALA 12 -2.565 -8.603 -2.973 561 H ILE 13 H ILE 13 -1.901 -5.743 -0.417 562 HA ILE 13 HA ILE 13 -1.330 -3.287 -1.663 563 HB ILE 13 HB ILE 13 -1.446 -3.941 1.309 564 1HG1 ILE 13 2HG1 ILE 13 -3.642 -2.733 -0.370 565 2HG1 ILE 13 1HG1 ILE 13 -3.522 -4.462 -0.110 566 1HG2 ILE 13 1HG2 ILE 13 -0.453 -1.770 1.032 567 2HG2 ILE 13 2HG2 ILE 13 -2.144 -1.525 1.486 568 3HG2 ILE 13 3HG2 ILE 13 -1.637 -1.324 -0.193 569 1HD1 ILE 13 1HD1 ILE 13 -4.991 -3.558 1.566 570 2HD1 ILE 13 2HD1 ILE 13 -3.805 -2.317 1.954 571 3HD1 ILE 13 3HD1 ILE 13 -3.475 -3.987 2.353 572 H GLY 14 H GLY 14 0.467 -5.396 0.485 573 1HA GLY 14 2HA GLY 14 2.796 -3.759 0.757 574 2HA GLY 14 1HA GLY 14 2.669 -5.475 1.129 575 H GLU 15 H GLU 15 1.860 -6.370 -1.432 576 HA GLU 15 HA GLU 15 4.375 -6.765 -2.604 577 1HB GLU 15 2HB GLU 15 2.285 -8.229 -2.705 578 2HB GLU 15 1HB GLU 15 1.753 -7.183 -3.992 579 1HG GLU 15 2HG GLU 15 2.917 -9.128 -4.950 580 2HG GLU 15 1HG GLU 15 3.843 -7.669 -5.273 581 H ILE 16 H ILE 16 1.641 -4.635 -3.403 582 HA ILE 16 HA ILE 16 2.729 -3.643 -5.845 583 HB ILE 16 HB ILE 16 1.443 -1.704 -3.895 584 1HG1 ILE 16 2HG1 ILE 16 -0.014 -3.709 -3.889 585 2HG1 ILE 16 1HG1 ILE 16 -0.787 -2.322 -4.611 586 1HG2 ILE 16 1HG2 ILE 16 0.506 -0.770 -5.982 587 2HG2 ILE 16 2HG2 ILE 16 1.331 -2.018 -6.908 588 3HG2 ILE 16 3HG2 ILE 16 2.263 -0.827 -6.009 589 1HD1 ILE 16 1HD1 ILE 16 -0.359 -3.137 -6.818 590 2HD1 ILE 16 2HD1 ILE 16 -1.110 -4.439 -5.892 591 3HD1 ILE 16 3HD1 ILE 16 0.629 -4.459 -6.191 592 H MET 17 H MET 17 3.021 -2.507 -2.545 593 HA MET 17 HA MET 17 4.820 -0.389 -2.867 594 1HB MET 17 2HB MET 17 4.442 -2.149 -0.468 595 2HB MET 17 1HB MET 17 5.055 -0.491 -0.498 596 1HG MET 17 2HG MET 17 2.333 -1.203 -1.585 597 2HG MET 17 1HG MET 17 2.568 -0.771 0.100 598 1HE MET 17 1HE MET 17 4.006 0.822 0.744 599 2HE MET 17 2HE MET 17 3.223 2.406 0.567 600 3HE MET 17 3HE MET 17 4.754 2.098 -0.252 601 H ARG 18 H ARG 18 5.379 -3.863 -2.539 602 HA ARG 18 HA ARG 18 8.154 -3.787 -1.991 603 1HB ARG 18 2HB ARG 18 6.416 -5.835 -3.289 604 2HB ARG 18 1HB ARG 18 8.124 -6.097 -3.049 605 1HG ARG 18 2HG ARG 18 6.538 -5.193 -0.697 606 2HG ARG 18 1HG ARG 18 6.288 -6.842 -1.250 607 1HD ARG 18 2HD ARG 18 9.056 -6.586 -1.271 608 2HD ARG 18 1HD ARG 18 8.577 -5.671 0.156 609 HE ARG 18 HE ARG 18 7.960 -7.665 1.163 610 1HH1 ARG 18 1HH2 ARG 18 6.059 -8.725 -0.858 611 2HH1 ARG 18 2HH2 ARG 18 6.845 -10.162 -1.416 612 1HH2 ARG 18 1HH1 ARG 18 9.945 -9.272 -0.164 613 2HH2 ARG 18 2HH1 ARG 18 9.040 -10.472 -1.022 614 H LEU 19 H LEU 19 6.292 -3.825 -4.985 615 HA LEU 19 HA LEU 19 8.385 -4.188 -6.812 616 1HB LEU 19 2HB LEU 19 5.872 -2.583 -7.217 617 2HB LEU 19 1HB LEU 19 6.889 -3.230 -8.472 618 HG LEU 19 HG LEU 19 5.489 -4.939 -6.415 619 1HD1 LEU 19 1HD1 LEU 19 3.800 -3.804 -7.735 620 2HD1 LEU 19 2HD1 LEU 19 3.908 -5.474 -8.268 621 3HD1 LEU 19 3HD1 LEU 19 4.654 -4.196 -9.226 622 1HD2 LEU 19 1HD2 LEU 19 7.567 -5.583 -8.014 623 2HD2 LEU 19 2HD2 LEU 19 6.219 -5.952 -9.081 624 3HD2 LEU 19 3HD2 LEU 19 6.334 -6.727 -7.504 625 HA PRO 20 HA PRO 20 10.237 -0.147 -6.143 626 1HB PRO 20 2HB PRO 20 12.575 -1.114 -7.524 627 2HB PRO 20 1HB PRO 20 12.365 -0.832 -5.793 628 1HG PRO 20 2HG PRO 20 12.726 -3.282 -6.943 629 2HG PRO 20 1HG PRO 20 11.952 -3.008 -5.373 630 1HD PRO 20 2HD PRO 20 10.682 -3.517 -8.040 631 2HD PRO 20 1HD PRO 20 10.214 -4.104 -6.427 632 H ASN 21 H ASN 21 9.235 -1.676 -8.981 633 HA ASN 21 HA ASN 21 10.356 0.350 -10.783 634 1HB ASN 21 2HB ASN 21 8.716 -2.117 -11.348 635 2HB ASN 21 1HB ASN 21 9.423 -1.064 -12.562 636 1HD2 ASN 21 1HD2 ASN 21 10.032 -3.927 -12.119 637 2HD2 ASN 21 2HD2 ASN 21 11.690 -4.005 -11.763 638 H LEU 22 H LEU 22 7.395 -0.420 -9.118 639 HA LEU 22 HA LEU 22 5.645 0.980 -10.903 640 1HB LEU 22 2HB LEU 22 5.247 0.285 -7.993 641 2HB LEU 22 1HB LEU 22 4.002 0.905 -9.054 642 HG LEU 22 HG LEU 22 5.422 -1.758 -9.196 643 1HD1 LEU 22 1HD1 LEU 22 2.977 -2.511 -9.256 644 2HD1 LEU 22 2HD1 LEU 22 2.550 -0.847 -8.860 645 3HD1 LEU 22 3HD1 LEU 22 3.514 -1.797 -7.733 646 1HD2 LEU 22 1HD2 LEU 22 5.360 -1.124 -11.438 647 2HD2 LEU 22 2HD2 LEU 22 3.838 -0.242 -11.229 648 3HD2 LEU 22 3HD2 LEU 22 3.841 -1.995 -11.227 649 H ASN 23 H ASN 23 4.552 2.896 -10.534 650 HA ASN 23 HA ASN 23 6.176 5.050 -9.415 651 1HB ASN 23 2HB ASN 23 5.277 5.890 -11.342 652 2HB ASN 23 1HB ASN 23 4.023 4.688 -11.399 653 1HD2 ASN 23 1HD2 ASN 23 2.267 6.021 -11.864 654 2HD2 ASN 23 2HD2 ASN 23 1.742 7.269 -10.846 655 H SER 24 H SER 24 5.290 6.512 -7.786 656 HA SER 24 HA SER 24 4.109 5.203 -5.589 657 1HB SER 24 2HB SER 24 3.845 7.451 -4.627 658 2HB SER 24 1HB SER 24 5.429 7.278 -5.378 659 HG SER 24 HG SER 24 4.209 8.164 -7.317 660 H LEU 25 H LEU 25 2.768 7.290 -8.075 661 HA LEU 25 HA LEU 25 0.080 7.206 -7.157 662 1HB LEU 25 2HB LEU 25 1.538 8.380 -9.399 663 2HB LEU 25 1HB LEU 25 -0.042 7.799 -9.853 664 HG LEU 25 HG LEU 25 0.560 9.662 -7.596 665 1HD1 LEU 25 1HD1 LEU 25 -0.671 11.316 -8.961 666 2HD1 LEU 25 2HD1 LEU 25 -0.838 10.117 -10.244 667 3HD1 LEU 25 3HD1 LEU 25 0.759 10.728 -9.808 668 1HD2 LEU 25 1HD2 LEU 25 -1.373 8.861 -6.774 669 2HD2 LEU 25 2HD2 LEU 25 -1.694 7.963 -8.258 670 3HD2 LEU 25 3HD2 LEU 25 -2.170 9.660 -8.131 671 H GLN 26 H GLN 26 2.027 5.285 -9.377 672 HA GLN 26 HA GLN 26 -0.094 3.807 -10.559 673 1HB GLN 26 2HB GLN 26 2.826 3.515 -10.325 674 2HB GLN 26 1HB GLN 26 1.957 2.003 -10.485 675 1HG GLN 26 2HG GLN 26 0.897 2.792 -12.549 676 2HG GLN 26 1HG GLN 26 1.696 4.356 -12.384 677 1HE2 GLN 26 1HE2 GLN 26 3.731 1.863 -11.264 678 2HE2 GLN 26 2HE2 GLN 26 4.660 1.684 -12.672 679 H VAL 27 H VAL 27 1.878 3.410 -7.709 680 HA VAL 27 HA VAL 27 0.904 0.898 -6.913 681 HB VAL 27 HB VAL 27 2.281 3.114 -5.411 682 1HG1 VAL 27 1HG1 VAL 27 1.498 2.096 -3.525 683 2HG1 VAL 27 2HG1 VAL 27 2.669 0.839 -3.914 684 3HG1 VAL 27 3HG1 VAL 27 0.987 0.654 -4.395 685 1HG2 VAL 27 1HG2 VAL 27 3.779 0.717 -5.569 686 2HG2 VAL 27 2HG2 VAL 27 4.062 2.208 -6.464 687 3HG2 VAL 27 3HG2 VAL 27 3.050 0.941 -7.161 688 H VAL 28 H VAL 28 -0.014 4.187 -6.134 689 HA VAL 28 HA VAL 28 -2.085 3.571 -4.336 690 HB VAL 28 HB VAL 28 -1.809 5.924 -6.234 691 1HG1 VAL 28 1HG1 VAL 28 -3.210 6.448 -3.767 692 2HG1 VAL 28 2HG1 VAL 28 -3.947 5.079 -4.594 693 3HG1 VAL 28 3HG1 VAL 28 -3.788 6.623 -5.427 694 1HG2 VAL 28 1HG2 VAL 28 -0.292 6.802 -4.791 695 2HG2 VAL 28 2HG2 VAL 28 -0.181 5.202 -4.059 696 3HG2 VAL 28 3HG2 VAL 28 -1.290 6.398 -3.393 697 H ALA 29 H ALA 29 -1.823 3.639 -7.836 698 HA ALA 29 HA ALA 29 -4.532 3.549 -8.566 699 1HB ALA 29 1HB ALA 29 -2.644 1.944 -10.201 700 2HB ALA 29 2HB ALA 29 -2.150 3.615 -9.919 701 3HB ALA 29 3HB ALA 29 -3.707 3.274 -10.678 702 H PHE 30 H PHE 30 -2.169 0.984 -7.852 703 HA PHE 30 HA PHE 30 -4.003 -1.128 -8.258 704 1HB PHE 30 2HB PHE 30 -1.272 -0.961 -6.937 705 2HB PHE 30 1HB PHE 30 -2.141 -2.461 -7.261 706 HD1 PHE 30 1HD PHE 30 -3.195 -2.447 -9.882 707 HD2 PHE 30 2HD PHE 30 0.388 -0.445 -8.517 708 HE1 PHE 30 1HE PHE 30 -2.346 -2.324 -12.183 709 HE2 PHE 30 2HE PHE 30 1.194 -0.351 -10.820 710 HZ PHE 30 HZ PHE 30 -0.162 -1.295 -12.664 711 H ILE 31 H ILE 31 -2.722 0.564 -5.360 712 HA ILE 31 HA ILE 31 -4.031 -1.026 -3.429 713 HB ILE 31 HB ILE 31 -3.341 1.922 -3.303 714 1HG1 ILE 31 2HG1 ILE 31 -1.831 -0.414 -2.097 715 2HG1 ILE 31 1HG1 ILE 31 -1.456 0.204 -3.700 716 1HG2 ILE 31 1HG2 ILE 31 -4.035 -0.077 -1.122 717 2HG2 ILE 31 2HG2 ILE 31 -4.991 1.328 -1.586 718 3HG2 ILE 31 3HG2 ILE 31 -3.411 1.546 -0.831 719 1HD1 ILE 31 1HD1 ILE 31 -0.018 1.254 -1.963 720 2HD1 ILE 31 2HD1 ILE 31 -1.470 1.857 -1.154 721 3HD1 ILE 31 3HD1 ILE 31 -1.051 2.435 -2.774 722 H ASN 32 H ASN 32 -5.059 1.867 -5.169 723 HA ASN 32 HA ASN 32 -7.571 2.247 -3.956 724 1HB ASN 32 2HB ASN 32 -6.428 2.937 -6.650 725 2HB ASN 32 1HB ASN 32 -8.163 3.093 -6.411 726 1HD2 ASN 32 1HD2 ASN 32 -5.574 5.010 -6.473 727 2HD2 ASN 32 2HD2 ASN 32 -5.958 6.113 -5.242 728 H SER 33 H SER 33 -6.494 0.023 -6.499 729 HA SER 33 HA SER 33 -9.138 -0.845 -7.123 730 1HB SER 33 2HB SER 33 -6.408 -1.540 -8.038 731 2HB SER 33 1HB SER 33 -7.737 -2.657 -8.367 732 HG SER 33 HG SER 33 -8.841 -0.669 -9.150 733 H LEU 34 H LEU 34 -6.606 -1.737 -4.891 734 HA LEU 34 HA LEU 34 -7.548 -4.362 -4.261 735 1HB LEU 34 2HB LEU 34 -6.184 -2.373 -2.408 736 2HB LEU 34 1HB LEU 34 -6.322 -4.098 -2.129 737 HG LEU 34 HG LEU 34 -4.744 -2.727 -4.317 738 1HD1 LEU 34 1HD1 LEU 34 -3.523 -2.759 -2.255 739 2HD1 LEU 34 2HD1 LEU 34 -2.854 -4.004 -3.301 740 3HD1 LEU 34 3HD1 LEU 34 -3.938 -4.454 -1.988 741 1HD2 LEU 34 1HD2 LEU 34 -5.359 -5.604 -3.843 742 2HD2 LEU 34 2HD2 LEU 34 -4.071 -5.062 -4.903 743 3HD2 LEU 34 3HD2 LEU 34 -5.743 -4.651 -5.253 744 H ARG 35 H ARG 35 -8.244 -1.094 -3.193 745 HA ARG 35 HA ARG 35 -10.259 -1.641 -1.232 746 1HB ARG 35 2HB ARG 35 -10.349 0.755 -3.067 747 2HB ARG 35 1HB ARG 35 -10.905 0.635 -1.410 748 1HG ARG 35 2HG ARG 35 -8.164 0.084 -1.283 749 2HG ARG 35 1HG ARG 35 -8.301 1.378 -2.436 750 1HD ARG 35 2HD ARG 35 -8.271 2.658 -0.547 751 2HD ARG 35 1HD ARG 35 -9.991 2.334 -0.592 752 HE ARG 35 HE ARG 35 -8.045 0.872 1.105 753 1HH1 ARG 35 1HH2 ARG 35 -10.632 -0.558 0.664 754 2HH1 ARG 35 2HH2 ARG 35 -11.608 -0.003 1.982 755 1HH2 ARG 35 1HH1 ARG 35 -9.593 2.726 2.668 756 2HH2 ARG 35 2HH1 ARG 35 -11.019 1.853 3.117 757 H ASP 36 H ASP 36 -10.410 -0.896 -4.676 758 HA ASP 36 HA ASP 36 -13.193 -0.993 -5.020 759 1HB ASP 36 2HB ASP 36 -10.951 -1.583 -6.968 760 2HB ASP 36 1HB ASP 36 -12.629 -1.322 -7.427 761 H ASP 37 H ASP 37 -10.739 -3.516 -5.167 762 HA ASP 37 HA ASP 37 -12.827 -5.555 -4.981 763 1HB ASP 37 2HB ASP 37 -10.772 -6.275 -6.966 764 2HB ASP 37 1HB ASP 37 -12.509 -6.541 -6.994 765 HA PRO 38 HA PRO 38 -9.425 -6.617 -2.220 766 1HB PRO 38 2HB PRO 38 -11.287 -8.223 -0.763 767 2HB PRO 38 1HB PRO 38 -10.520 -6.714 -0.274 768 1HG PRO 38 2HG PRO 38 -13.211 -7.091 -0.869 769 2HG PRO 38 1HG PRO 38 -12.376 -5.542 -0.692 770 1HD PRO 38 2HD PRO 38 -13.281 -6.897 -3.145 771 2HD PRO 38 1HD PRO 38 -12.874 -5.188 -2.881 772 H SER 39 H SER 39 -11.893 -8.735 -3.601 773 HA SER 39 HA SER 39 -10.552 -11.200 -3.212 774 1HB SER 39 2HB SER 39 -12.556 -10.455 -5.359 775 2HB SER 39 1HB SER 39 -12.122 -12.088 -4.858 776 HG SER 39 HG SER 39 -12.876 -11.488 -2.741 777 H GLN 40 H GLN 40 -10.668 -8.852 -5.863 778 HA GLN 40 HA GLN 40 -8.670 -10.350 -7.328 779 1HB GLN 40 2HB GLN 40 -9.417 -7.766 -8.459 780 2HB GLN 40 1HB GLN 40 -9.395 -9.349 -9.193 781 1HG GLN 40 2HG GLN 40 -11.525 -9.927 -8.061 782 2HG GLN 40 1HG GLN 40 -11.582 -8.308 -7.375 783 1HE2 GLN 40 1HE2 GLN 40 -12.359 -10.192 -10.128 784 2HE2 GLN 40 2HE2 GLN 40 -12.837 -8.920 -11.145 785 H SER 41 H SER 41 -8.200 -8.805 -4.704 786 HA SER 41 HA SER 41 -6.603 -6.564 -5.221 787 1HB SER 41 2HB SER 41 -6.540 -8.708 -3.090 788 2HB SER 41 1HB SER 41 -5.345 -7.420 -3.103 789 HG SER 41 HG SER 41 -7.932 -6.576 -3.468 790 H ALA 42 H ALA 42 -6.043 -9.954 -5.521 791 HA ALA 42 HA ALA 42 -3.222 -9.901 -5.966 792 1HB ALA 42 1HB ALA 42 -5.202 -11.993 -6.867 793 2HB ALA 42 2HB ALA 42 -4.647 -11.862 -5.195 794 3HB ALA 42 3HB ALA 42 -3.491 -12.214 -6.483 795 H ASN 43 H ASN 43 -6.067 -9.449 -7.910 796 HA ASN 43 HA ASN 43 -5.043 -10.044 -10.464 797 1HB ASN 43 2HB ASN 43 -7.423 -9.870 -9.655 798 2HB ASN 43 1HB ASN 43 -7.235 -8.130 -9.886 799 1HD2 ASN 43 1HD2 ASN 43 -6.352 -7.528 -12.181 800 2HD2 ASN 43 2HD2 ASN 43 -6.950 -8.434 -13.485 801 H LEU 44 H LEU 44 -5.731 -6.909 -8.924 802 HA LEU 44 HA LEU 44 -4.413 -5.558 -11.022 803 1HB LEU 44 2HB LEU 44 -4.963 -3.488 -9.946 804 2HB LEU 44 1HB LEU 44 -6.358 -4.539 -9.914 805 HG LEU 44 HG LEU 44 -5.970 -3.270 -7.847 806 1HD1 LEU 44 1HD1 LEU 44 -6.992 -4.808 -6.671 807 2HD1 LEU 44 2HD1 LEU 44 -5.753 -6.035 -6.992 808 3HD1 LEU 44 3HD1 LEU 44 -6.992 -5.696 -8.192 809 1HD2 LEU 44 1HD2 LEU 44 -3.399 -3.787 -8.044 810 2HD2 LEU 44 2HD2 LEU 44 -3.879 -5.110 -6.976 811 3HD2 LEU 44 3HD2 LEU 44 -4.192 -3.443 -6.520 812 H LEU 45 H LEU 45 -3.611 -6.936 -8.006 813 HA LEU 45 HA LEU 45 -1.097 -5.656 -7.593 814 1HB LEU 45 2HB LEU 45 -1.835 -6.911 -5.727 815 2HB LEU 45 1HB LEU 45 -2.335 -8.264 -6.733 816 HG LEU 45 HG LEU 45 0.009 -8.793 -7.232 817 1HD1 LEU 45 1HD1 LEU 45 1.804 -7.590 -6.051 818 2HD1 LEU 45 2HD1 LEU 45 0.615 -6.483 -5.371 819 3HD1 LEU 45 3HD1 LEU 45 0.906 -6.513 -7.101 820 1HD2 LEU 45 1HD2 LEU 45 0.647 -9.030 -4.596 821 2HD2 LEU 45 2HD2 LEU 45 -0.473 -10.096 -5.435 822 3HD2 LEU 45 3HD2 LEU 45 -1.086 -8.751 -4.484 823 H ALA 46 H ALA 46 -2.435 -8.276 -9.391 824 HA ALA 46 HA ALA 46 -0.042 -9.392 -10.426 825 1HB ALA 46 1HB ALA 46 -2.878 -9.801 -10.750 826 2HB ALA 46 2HB ALA 46 -1.562 -10.858 -11.263 827 3HB ALA 46 3HB ALA 46 -2.165 -9.610 -12.349 828 H GLU 47 H GLU 47 -2.313 -6.918 -11.489 829 HA GLU 47 HA GLU 47 -1.105 -6.169 -13.908 830 1HB GLU 47 2HB GLU 47 -2.722 -4.527 -11.937 831 2HB GLU 47 1HB GLU 47 -2.284 -3.995 -13.555 832 1HG GLU 47 2HG GLU 47 -4.034 -6.328 -12.797 833 2HG GLU 47 1HG GLU 47 -4.540 -4.833 -13.556 834 H ALA 48 H ALA 48 -0.524 -5.350 -10.564 835 HA ALA 48 HA ALA 48 1.204 -3.136 -10.962 836 1HB ALA 48 1HB ALA 48 1.112 -3.069 -8.711 837 2HB ALA 48 2HB ALA 48 1.588 -4.762 -8.565 838 3HB ALA 48 3HB ALA 48 -0.100 -4.341 -8.861 839 H LYS 49 H LYS 49 1.736 -6.528 -10.151 840 HA LYS 49 HA LYS 49 4.562 -6.373 -10.105 841 1HB LYS 49 2HB LYS 49 2.563 -8.612 -10.341 842 2HB LYS 49 1HB LYS 49 4.297 -8.928 -10.384 843 1HG LYS 49 2HG LYS 49 4.460 -7.660 -8.199 844 2HG LYS 49 1HG LYS 49 2.698 -7.652 -8.159 845 1HD LYS 49 2HD LYS 49 4.346 -10.185 -8.417 846 2HD LYS 49 1HD LYS 49 3.787 -9.552 -6.873 847 1HE LYS 49 2HE LYS 49 1.512 -9.567 -8.553 848 2HE LYS 49 1HE LYS 49 2.328 -11.103 -8.836 849 1HZ LYS 49 1HZ LYS 49 1.692 -10.019 -6.149 850 2HZ LYS 49 2HZ LYS 49 2.320 -11.557 -6.505 851 3HZ LYS 49 3HZ LYS 49 0.735 -11.154 -6.970 852 H LYS 50 H LYS 50 2.151 -6.833 -12.579 853 HA LYS 50 HA LYS 50 3.954 -7.496 -14.710 854 1HB LYS 50 2HB LYS 50 1.114 -6.529 -14.617 855 2HB LYS 50 1HB LYS 50 1.989 -6.687 -16.138 856 1HG LYS 50 2HG LYS 50 2.524 -9.095 -15.392 857 2HG LYS 50 1HG LYS 50 1.279 -8.877 -14.173 858 1HD LYS 50 2HD LYS 50 0.868 -8.513 -17.155 859 2HD LYS 50 1HD LYS 50 0.404 -9.945 -16.245 860 1HE LYS 50 2HE LYS 50 -0.655 -7.147 -15.729 861 2HE LYS 50 1HE LYS 50 -1.513 -8.404 -16.612 862 1HZ LYS 50 1HZ LYS 50 -0.524 -8.851 -13.866 863 2HZ LYS 50 2HZ LYS 50 -1.715 -9.710 -14.715 864 3HZ LYS 50 3HZ LYS 50 -2.034 -8.137 -14.158 865 H LEU 51 H LEU 51 2.497 -4.540 -13.422 866 HA LEU 51 HA LEU 51 3.518 -2.804 -15.446 867 1HB LEU 51 2HB LEU 51 2.068 -2.524 -12.925 868 2HB LEU 51 1HB LEU 51 3.282 -1.268 -13.130 869 HG LEU 51 HG LEU 51 1.062 -0.684 -14.102 870 1HD1 LEU 51 1HD1 LEU 51 2.221 -0.258 -16.492 871 2HD1 LEU 51 2HD1 LEU 51 3.655 -0.736 -15.574 872 3HD1 LEU 51 3HD1 LEU 51 2.674 0.639 -15.038 873 1HD2 LEU 51 1HD2 LEU 51 -0.011 -2.289 -15.283 874 2HD2 LEU 51 2HD2 LEU 51 1.435 -3.299 -15.336 875 3HD2 LEU 51 3HD2 LEU 51 1.180 -2.059 -16.565 876 H ASN 52 H ASN 52 4.597 -3.925 -12.368 877 HA ASN 52 HA ASN 52 6.933 -2.395 -12.064 878 1HB ASN 52 2HB ASN 52 6.262 -3.631 -10.201 879 2HB ASN 52 1HB ASN 52 5.949 -5.076 -11.136 880 1HD2 ASN 52 1HD2 ASN 52 8.380 -3.245 -9.500 881 2HD2 ASN 52 2HD2 ASN 52 9.628 -4.378 -9.649 882 H ASP 53 H ASP 53 6.104 -5.413 -13.528 883 HA ASP 53 HA ASP 53 8.674 -6.101 -14.566 884 1HB ASP 53 2HB ASP 53 6.424 -7.509 -14.366 885 2HB ASP 53 1HB ASP 53 6.195 -6.940 -16.016 886 H ALA 54 H ALA 54 5.984 -4.198 -15.755 887 HA ALA 54 HA ALA 54 6.825 -3.868 -18.433 888 1HB ALA 54 1HB ALA 54 4.539 -3.379 -17.295 889 2HB ALA 54 2HB ALA 54 5.076 -2.344 -18.619 890 3HB ALA 54 3HB ALA 54 5.241 -1.799 -16.950 891 H GLN 55 H GLN 55 7.425 -2.057 -15.458 892 HA GLN 55 HA GLN 55 9.068 -0.088 -16.852 893 1HB GLN 55 2HB GLN 55 8.234 -0.413 -14.011 894 2HB GLN 55 1HB GLN 55 9.239 0.903 -14.579 895 1HG GLN 55 2HG GLN 55 7.501 1.885 -15.760 896 2HG GLN 55 1HG GLN 55 6.659 0.352 -15.989 897 1HE2 GLN 55 1HE2 GLN 55 6.096 -0.675 -13.649 898 2HE2 GLN 55 2HE2 GLN 55 5.316 0.411 -12.605 899 H ALA 56 H ALA 56 9.481 -3.135 -15.575 900 HA ALA 56 HA ALA 56 12.014 -2.875 -14.269 901 1HB ALA 56 1HB ALA 56 10.584 -5.231 -15.494 902 2HB ALA 56 2HB ALA 56 10.714 -4.831 -13.789 903 3HB ALA 56 3HB ALA 56 12.134 -5.371 -14.678 904 HA PRO 57 HA PRO 57 14.740 -2.856 -17.657 905 1HB PRO 57 2HB PRO 57 16.735 -4.532 -16.421 906 2HB PRO 57 1HB PRO 57 16.661 -2.767 -16.464 907 1HG PRO 57 2HG PRO 57 16.365 -4.286 -14.209 908 2HG PRO 57 1HG PRO 57 15.763 -2.634 -14.407 909 1HD PRO 57 2HD PRO 57 14.273 -5.223 -14.633 910 2HD PRO 57 1HD PRO 57 13.761 -3.677 -13.913 911 H LYS 58 H LYS 58 12.782 -4.869 -17.906 912 HA LYS 58 HA LYS 58 13.967 -7.332 -18.785 913 1HB LYS 58 2HB LYS 58 11.266 -6.210 -18.589 914 2HB LYS 58 1HB LYS 58 11.488 -7.361 -19.898 915 1HG LYS 58 2HG LYS 58 10.863 -8.701 -18.046 916 2HG LYS 58 1HG LYS 58 12.617 -8.868 -18.122 917 1HD LYS 58 2HD LYS 58 12.797 -6.996 -16.435 918 2HD LYS 58 1HD LYS 58 11.041 -7.046 -16.282 919 1HE LYS 58 2HE LYS 58 12.864 -9.416 -15.781 920 2HE LYS 58 1HE LYS 58 12.200 -8.381 -14.518 921 1HZ LYS 58 1HZ LYS 58 10.986 -10.561 -15.780 922 2HZ LYS 58 2HZ LYS 58 10.111 -9.169 -16.207 923 3HZ LYS 58 3HZ LYS 58 10.345 -9.559 -14.570 Start of MODEL 23 1 1H VAL 1 1HT VAL 1 11.320 -16.875 3.224 2 2H VAL 1 2HT VAL 1 11.476 -17.394 4.835 3 3H VAL 1 3HT VAL 1 12.857 -17.205 3.862 4 HA VAL 1 HA VAL 1 12.810 -15.334 5.267 5 HB VAL 1 HB VAL 1 11.600 -14.585 2.578 6 1HG1 VAL 1 1HG1 VAL 1 13.183 -13.014 4.635 7 2HG1 VAL 1 2HG1 VAL 1 11.575 -12.652 4.009 8 3HG1 VAL 1 3HG1 VAL 1 12.985 -12.482 2.966 9 1HG2 VAL 1 1HG2 VAL 1 14.470 -15.060 3.457 10 2HG2 VAL 1 2HG2 VAL 1 14.020 -14.308 1.927 11 3HG2 VAL 1 3HG2 VAL 1 13.565 -15.980 2.253 12 H ASP 2 H ASP 2 11.670 -13.847 6.487 13 HA ASP 2 HA ASP 2 8.885 -14.427 6.953 14 1HB ASP 2 2HB ASP 2 10.407 -13.873 8.809 15 2HB ASP 2 1HB ASP 2 10.677 -12.277 8.120 16 H ASN 3 H ASN 3 7.266 -13.573 5.855 17 HA ASN 3 HA ASN 3 7.671 -11.173 4.223 18 1HB ASN 3 2HB ASN 3 5.328 -13.089 4.356 19 2HB ASN 3 1HB ASN 3 5.540 -11.794 3.179 20 1HD2 ASN 3 1HD2 ASN 3 5.609 -14.957 3.076 21 2HD2 ASN 3 2HD2 ASN 3 6.980 -15.257 2.123 22 H LYS 4 H LYS 4 7.007 -11.497 7.342 23 HA LYS 4 HA LYS 4 4.536 -10.272 7.836 24 1HB LYS 4 2HB LYS 4 6.058 -11.306 9.556 25 2HB LYS 4 1HB LYS 4 7.047 -9.848 9.467 26 1HG LYS 4 2HG LYS 4 5.031 -8.495 10.048 27 2HG LYS 4 1HG LYS 4 4.116 -9.987 10.232 28 1HD LYS 4 2HD LYS 4 5.698 -10.727 11.993 29 2HD LYS 4 1HD LYS 4 6.571 -9.202 11.834 30 1HE LYS 4 2HE LYS 4 3.623 -9.044 12.276 31 2HE LYS 4 1HE LYS 4 4.619 -9.535 13.647 32 1HZ LYS 4 1HZ LYS 4 5.582 -7.518 13.788 33 2HZ LYS 4 2HZ LYS 4 4.164 -7.000 13.009 34 3HZ LYS 4 3HZ LYS 4 5.582 -7.263 12.111 35 H PHE 5 H PHE 5 7.733 -8.787 7.333 36 HA PHE 5 HA PHE 5 6.992 -6.126 7.694 37 1HB PHE 5 2HB PHE 5 9.076 -5.542 6.786 38 2HB PHE 5 1HB PHE 5 9.361 -7.146 7.455 39 HD1 PHE 5 1HD PHE 5 9.349 -9.150 5.925 40 HD2 PHE 5 2HD PHE 5 9.238 -5.124 4.428 41 HE1 PHE 5 1HE PHE 5 10.023 -9.964 3.682 42 HE2 PHE 5 2HE PHE 5 9.914 -5.938 2.194 43 HZ PHE 5 HZ PHE 5 10.306 -8.357 1.814 44 H ASN 6 H ASN 6 6.884 -8.223 4.821 45 HA ASN 6 HA ASN 6 6.144 -6.237 2.941 46 1HB ASN 6 2HB ASN 6 6.935 -8.566 2.399 47 2HB ASN 6 1HB ASN 6 5.362 -9.160 2.934 48 1HD2 ASN 6 1HD2 ASN 6 4.720 -9.877 0.835 49 2HD2 ASN 6 2HD2 ASN 6 4.374 -8.793 -0.431 50 H LYS 7 H LYS 7 4.352 -8.451 4.994 51 HA LYS 7 HA LYS 7 1.761 -7.823 4.113 52 1HB LYS 7 2HB LYS 7 2.613 -9.794 5.578 53 2HB LYS 7 1HB LYS 7 2.457 -8.672 6.931 54 1HG LYS 7 2HG LYS 7 0.120 -8.390 6.548 55 2HG LYS 7 1HG LYS 7 0.211 -9.198 4.983 56 1HD LYS 7 2HD LYS 7 1.105 -11.223 6.443 57 2HD LYS 7 1HD LYS 7 0.251 -10.380 7.739 58 1HE LYS 7 2HE LYS 7 -0.992 -11.129 5.071 59 2HE LYS 7 1HE LYS 7 -1.184 -12.061 6.554 60 1HZ LYS 7 1HZ LYS 7 -2.910 -10.235 5.882 61 2HZ LYS 7 2HZ LYS 7 -1.787 -9.190 6.614 62 3HZ LYS 7 3HZ LYS 7 -2.480 -10.458 7.508 63 H GLU 8 H GLU 8 3.868 -6.555 6.624 64 HA GLU 8 HA GLU 8 1.972 -4.662 7.588 65 1HB GLU 8 2HB GLU 8 4.952 -4.991 7.972 66 2HB GLU 8 1HB GLU 8 4.027 -3.682 8.729 67 1HG GLU 8 2HG GLU 8 2.580 -5.328 9.844 68 2HG GLU 8 1HG GLU 8 3.454 -6.645 9.065 69 H LEU 9 H LEU 9 4.571 -4.608 5.270 70 HA LEU 9 HA LEU 9 4.715 -1.811 4.713 71 1HB LEU 9 2HB LEU 9 6.440 -3.318 3.897 72 2HB LEU 9 1HB LEU 9 5.256 -4.265 3.003 73 HG LEU 9 HG LEU 9 4.730 -2.022 1.775 74 1HD1 LEU 9 1HD1 LEU 9 6.039 -0.255 2.096 75 2HD1 LEU 9 2HD1 LEU 9 7.497 -1.195 1.956 76 3HD1 LEU 9 3HD1 LEU 9 6.697 -1.047 3.528 77 1HD2 LEU 9 1HD2 LEU 9 7.280 -3.584 1.393 78 2HD2 LEU 9 2HD2 LEU 9 6.633 -2.434 0.218 79 3HD2 LEU 9 3HD2 LEU 9 5.711 -3.876 0.639 80 H GLY 10 H GLY 10 2.673 -4.440 3.552 81 1HA GLY 10 2HA GLY 10 1.292 -2.833 1.679 82 2HA GLY 10 1HA GLY 10 0.824 -4.422 2.247 83 H TRP 11 H TRP 11 0.739 -3.967 4.985 84 HA TRP 11 HA TRP 11 -1.795 -2.803 5.126 85 1HB TRP 11 2HB TRP 11 -0.651 -4.668 6.617 86 2HB TRP 11 1HB TRP 11 -0.454 -3.257 7.670 87 HD1 TRP 11 HD TRP 11 -2.315 -3.882 9.335 88 HE1 TRP 11 1HE TRP 11 -4.889 -3.979 9.224 89 HE3 TRP 11 3HE TRP 11 -3.057 -3.549 4.277 90 HZ2 TRP 11 2HZ TRP 11 -6.964 -3.866 7.277 91 HZ3 TRP 11 3HZ TRP 11 -5.279 -3.519 3.322 92 HH2 TRP 11 HH TRP 11 -7.279 -3.695 4.818 93 H ALA 12 H ALA 12 1.227 -1.653 6.434 94 HA ALA 12 HA ALA 12 0.100 0.540 7.684 95 1HB ALA 12 1HB ALA 12 2.801 -0.087 6.558 96 2HB ALA 12 2HB ALA 12 2.337 0.237 8.224 97 3HB ALA 12 3HB ALA 12 2.476 1.568 7.072 98 H THR 13 H THR 13 1.072 -0.035 4.347 99 HA THR 13 HA THR 13 0.710 2.495 3.189 100 HB THR 13 HB THR 13 0.494 -0.331 2.257 101 HG1 THR 13 1HG THR 13 2.193 1.849 1.726 102 1HG2 THR 13 1HG2 THR 13 -1.115 0.756 0.856 103 2HG2 THR 13 2HG2 THR 13 0.379 0.617 -0.066 104 3HG2 THR 13 3HG2 THR 13 -0.070 2.162 0.655 105 H TRP 14 H TRP 14 -1.584 -0.146 3.735 106 HA TRP 14 HA TRP 14 -3.877 1.086 2.605 107 1HB TRP 14 2HB TRP 14 -3.481 -1.349 3.215 108 2HB TRP 14 1HB TRP 14 -3.823 -0.894 4.869 109 HD1 TRP 14 HD TRP 14 -6.286 -0.595 5.560 110 HE1 TRP 14 1HE TRP 14 -8.516 -1.052 4.380 111 HE3 TRP 14 3HE TRP 14 -4.684 -0.872 0.716 112 HZ2 TRP 14 2HZ TRP 14 -9.479 -1.494 1.740 113 HZ3 TRP 14 3HZ TRP 14 -6.260 -1.304 -1.064 114 HH2 TRP 14 HH TRP 14 -8.638 -1.629 -0.579 115 H GLU 15 H GLU 15 -2.707 0.807 5.939 116 HA GLU 15 HA GLU 15 -4.862 2.092 7.197 117 1HB GLU 15 2HB GLU 15 -1.953 1.829 7.999 118 2HB GLU 15 1HB GLU 15 -3.239 2.381 9.077 119 1HG GLU 15 2HG GLU 15 -4.393 0.272 8.932 120 2HG GLU 15 1HG GLU 15 -3.376 -0.277 7.602 121 H ILE 16 H ILE 16 -1.907 3.309 5.730 122 HA ILE 16 HA ILE 16 -2.268 6.076 6.457 123 HB ILE 16 HB ILE 16 -0.667 4.713 4.239 124 1HG1 ILE 16 2HG1 ILE 16 0.325 5.959 6.798 125 2HG1 ILE 16 1HG1 ILE 16 -0.047 4.262 6.675 126 1HG2 ILE 16 1HG2 ILE 16 0.479 7.206 4.903 127 2HG2 ILE 16 2HG2 ILE 16 -1.236 7.520 4.644 128 3HG2 ILE 16 3HG2 ILE 16 -0.275 6.750 3.382 129 1HD1 ILE 16 1HD1 ILE 16 1.708 5.310 4.522 130 2HD1 ILE 16 2HD1 ILE 16 1.833 3.814 5.455 131 3HD1 ILE 16 3HD1 ILE 16 2.419 5.325 6.144 132 H PHE 17 H PHE 17 -3.151 3.950 3.816 133 HA PHE 17 HA PHE 17 -4.226 5.800 1.954 134 1HB PHE 17 2HB PHE 17 -3.700 3.131 1.980 135 2HB PHE 17 1HB PHE 17 -5.434 3.097 2.191 136 HD1 PHE 17 1HD PHE 17 -2.671 4.014 -0.062 137 HD2 PHE 17 2HD PHE 17 -6.928 3.842 0.422 138 HE1 PHE 17 1HE PHE 17 -2.952 4.274 -2.501 139 HE2 PHE 17 2HE PHE 17 -7.215 4.122 -2.020 140 HZ PHE 17 HZ PHE 17 -5.233 4.321 -3.474 141 H ASN 18 H ASN 18 -5.594 3.988 4.647 142 HA ASN 18 HA ASN 18 -8.292 4.975 4.198 143 1HB ASN 18 2HB ASN 18 -7.086 3.057 6.194 144 2HB ASN 18 1HB ASN 18 -8.781 3.531 6.222 145 1HD2 ASN 18 1HD2 ASN 18 -6.502 2.565 3.572 146 2HD2 ASN 18 2HD2 ASN 18 -7.554 1.412 2.908 147 H LEU 19 H LEU 19 -5.728 6.522 5.565 148 HA LEU 19 HA LEU 19 -6.808 7.258 8.083 149 1HB LEU 19 2HB LEU 19 -4.558 8.161 6.419 150 2HB LEU 19 1HB LEU 19 -5.215 9.381 7.506 151 HG LEU 19 HG LEU 19 -4.303 6.599 8.336 152 1HD1 LEU 19 1HD1 LEU 19 -3.107 9.343 8.579 153 2HD1 LEU 19 2HD1 LEU 19 -2.406 7.922 7.810 154 3HD1 LEU 19 3HD1 LEU 19 -2.575 7.983 9.561 155 1HD2 LEU 19 1HD2 LEU 19 -5.942 8.589 9.658 156 2HD2 LEU 19 2HD2 LEU 19 -4.443 8.355 10.542 157 3HD2 LEU 19 3HD2 LEU 19 -5.500 6.979 10.209 158 HA PRO 20 HA PRO 20 -9.932 9.969 6.525 159 1HB PRO 20 2HB PRO 20 -10.350 11.072 9.164 160 2HB PRO 20 1HB PRO 20 -11.327 9.881 8.294 161 1HG PRO 20 2HG PRO 20 -9.870 9.361 10.536 162 2HG PRO 20 1HG PRO 20 -10.319 8.143 9.329 163 1HD PRO 20 2HD PRO 20 -7.721 9.577 9.679 164 2HD PRO 20 1HD PRO 20 -8.023 7.886 9.264 165 H ASN 21 H ASN 21 -6.910 11.284 7.158 166 HA ASN 21 HA ASN 21 -8.033 13.955 6.519 167 1HB ASN 21 2HB ASN 21 -6.256 13.505 8.904 168 2HB ASN 21 1HB ASN 21 -6.605 15.077 8.219 169 1HD2 ASN 21 1HD2 ASN 21 -7.728 12.774 10.474 170 2HD2 ASN 21 2HD2 ASN 21 -9.276 13.427 10.711 171 H LEU 22 H LEU 22 -5.742 11.695 5.762 172 HA LEU 22 HA LEU 22 -3.597 13.545 5.103 173 1HB LEU 22 2HB LEU 22 -3.994 10.655 4.311 174 2HB LEU 22 1HB LEU 22 -2.517 11.596 4.089 175 HG LEU 22 HG LEU 22 -3.830 11.012 6.756 176 1HD1 LEU 22 1HD1 LEU 22 -1.481 9.818 5.302 177 2HD1 LEU 22 2HD1 LEU 22 -2.868 9.000 6.013 178 3HD1 LEU 22 3HD1 LEU 22 -1.646 9.725 7.054 179 1HD2 LEU 22 1HD2 LEU 22 -1.483 12.655 5.886 180 2HD2 LEU 22 2HD2 LEU 22 -1.389 11.790 7.415 181 3HD2 LEU 22 3HD2 LEU 22 -2.665 12.983 7.162 182 H ASN 23 H ASN 23 -2.954 14.192 3.049 183 HA ASN 23 HA ASN 23 -5.120 14.156 1.060 184 1HB ASN 23 2HB ASN 23 -4.072 16.025 0.025 185 2HB ASN 23 1HB ASN 23 -4.028 16.335 1.755 186 1HD2 ASN 23 1HD2 ASN 23 -2.209 17.442 -0.311 187 2HD2 ASN 23 2HD2 ASN 23 -0.646 16.949 0.129 188 H GLY 24 H GLY 24 -4.347 13.990 -1.268 189 1HA GLY 24 2HA GLY 24 -3.448 11.454 -1.820 190 2HA GLY 24 1HA GLY 24 -3.345 12.790 -2.959 191 H VAL 25 H VAL 25 -1.477 14.371 -1.395 192 HA VAL 25 HA VAL 25 0.955 13.183 -2.315 193 HB VAL 25 HB VAL 25 0.447 15.643 -0.652 194 1HG1 VAL 25 1HG1 VAL 25 2.952 14.430 -1.821 195 2HG1 VAL 25 2HG1 VAL 25 2.708 15.097 -0.205 196 3HG1 VAL 25 3HG1 VAL 25 2.823 16.175 -1.595 197 1HG2 VAL 25 1HG2 VAL 25 0.805 15.026 -3.588 198 2HG2 VAL 25 2HG2 VAL 25 1.135 16.644 -2.956 199 3HG2 VAL 25 3HG2 VAL 25 -0.482 15.953 -2.814 200 H GLN 26 H GLN 26 -0.257 13.874 1.020 201 HA GLN 26 HA GLN 26 1.965 12.894 2.370 202 1HB GLN 26 2HB GLN 26 -0.911 13.240 3.012 203 2HB GLN 26 1HB GLN 26 0.078 12.293 4.116 204 1HG GLN 26 2HG GLN 26 1.415 14.065 4.704 205 2HG GLN 26 1HG GLN 26 1.225 14.859 3.138 206 1HE2 GLN 26 1HE2 GLN 26 0.927 16.154 5.640 207 2HE2 GLN 26 2HE2 GLN 26 -0.675 16.692 5.766 208 H VAL 27 H VAL 27 -0.991 11.198 1.393 209 HA VAL 27 HA VAL 27 -0.226 8.680 2.444 210 HB VAL 27 HB VAL 27 -2.036 9.200 0.066 211 1HG1 VAL 27 1HG1 VAL 27 -1.817 6.886 2.019 212 2HG1 VAL 27 2HG1 VAL 27 -1.316 6.850 0.327 213 3HG1 VAL 27 3HG1 VAL 27 -3.021 7.027 0.736 214 1HG2 VAL 27 1HG2 VAL 27 -2.633 9.045 3.045 215 2HG2 VAL 27 2HG2 VAL 27 -3.858 9.088 1.778 216 3HG2 VAL 27 3HG2 VAL 27 -2.797 10.473 2.025 217 H LYS 28 H LYS 28 0.138 10.129 -0.759 218 HA LYS 28 HA LYS 28 1.418 7.965 -2.037 219 1HB LYS 28 2HB LYS 28 0.440 9.970 -3.188 220 2HB LYS 28 1HB LYS 28 1.770 10.948 -2.576 221 1HG LYS 28 2HG LYS 28 3.352 9.371 -3.770 222 2HG LYS 28 1HG LYS 28 1.937 8.594 -4.491 223 1HD LYS 28 2HD LYS 28 1.242 10.804 -5.424 224 2HD LYS 28 1HD LYS 28 2.721 11.515 -4.784 225 1HE LYS 28 2HE LYS 28 2.754 9.144 -6.666 226 2HE LYS 28 1HE LYS 28 2.787 10.809 -7.243 227 1HZ LYS 28 1HZ LYS 28 5.004 9.646 -6.865 228 2HZ LYS 28 2HZ LYS 28 4.703 9.851 -5.206 229 3HZ LYS 28 3HZ LYS 28 4.824 11.206 -6.224 230 H ALA 29 H ALA 29 2.608 10.554 -0.001 231 HA ALA 29 HA ALA 29 5.380 10.121 -0.444 232 1HB ALA 29 1HB ALA 29 4.436 12.243 0.405 233 2HB ALA 29 2HB ALA 29 5.697 11.589 1.448 234 3HB ALA 29 3HB ALA 29 4.001 11.409 1.896 235 H PHE 30 H PHE 30 3.096 9.149 2.053 236 HA PHE 30 HA PHE 30 4.967 7.830 3.656 237 1HB PHE 30 2HB PHE 30 1.986 7.435 3.398 238 2HB PHE 30 1HB PHE 30 2.992 6.751 4.671 239 HD1 PHE 30 1HD PHE 30 4.846 8.919 5.363 240 HD2 PHE 30 2HD PHE 30 0.630 9.126 4.417 241 HE1 PHE 30 1HE PHE 30 4.643 11.014 6.638 242 HE2 PHE 30 2HE PHE 30 0.466 11.204 5.728 243 HZ PHE 30 HZ PHE 30 2.461 12.143 6.819 244 H ILE 31 H ILE 31 2.947 6.911 0.921 245 HA ILE 31 HA ILE 31 3.634 4.164 1.003 246 HB ILE 31 HB ILE 31 2.558 5.914 -1.202 247 1HG1 ILE 31 2HG1 ILE 31 1.359 3.621 0.386 248 2HG1 ILE 31 1HG1 ILE 31 1.067 5.324 0.708 249 1HG2 ILE 31 1HG2 ILE 31 2.194 3.157 -1.852 250 2HG2 ILE 31 2HG2 ILE 31 3.904 3.360 -1.506 251 3HG2 ILE 31 3HG2 ILE 31 3.133 4.352 -2.739 252 1HD1 ILE 31 1HD1 ILE 31 0.460 3.979 -1.933 253 2HD1 ILE 31 2HD1 ILE 31 0.015 5.616 -1.450 254 3HD1 ILE 31 3HD1 ILE 31 -0.728 4.229 -0.659 255 H ASP 32 H ASP 32 4.902 6.972 -0.690 256 HA ASP 32 HA ASP 32 6.863 5.662 -2.188 257 1HB ASP 32 2HB ASP 32 6.188 8.041 -2.508 258 2HB ASP 32 1HB ASP 32 7.043 8.447 -1.023 259 H SER 33 H SER 33 6.937 6.955 1.043 260 HA SER 33 HA SER 33 9.674 6.436 1.619 261 1HB SER 33 2HB SER 33 7.267 6.754 3.440 262 2HB SER 33 1HB SER 33 8.951 6.730 3.979 263 HG SER 33 HG SER 33 7.871 8.524 2.059 264 H LEU 34 H LEU 34 6.692 4.645 1.972 265 HA LEU 34 HA LEU 34 7.534 2.366 3.447 266 1HB LEU 34 2HB LEU 34 5.315 3.209 1.702 267 2HB LEU 34 1HB LEU 34 5.619 1.500 1.710 268 HG LEU 34 HG LEU 34 5.660 2.609 4.380 269 1HD1 LEU 34 1HD1 LEU 34 2.996 2.630 4.210 270 2HD1 LEU 34 2HD1 LEU 34 3.362 3.179 2.582 271 3HD1 LEU 34 3HD1 LEU 34 3.942 4.092 3.969 272 1HD2 LEU 34 1HD2 LEU 34 5.520 0.304 4.133 273 2HD2 LEU 34 2HD2 LEU 34 4.305 0.403 2.877 274 3HD2 LEU 34 3HD2 LEU 34 3.878 0.754 4.554 275 H ARG 35 H ARG 35 7.238 2.868 -0.058 276 HA ARG 35 HA ARG 35 8.340 0.394 -0.879 277 1HB ARG 35 2HB ARG 35 9.102 2.589 -2.663 278 2HB ARG 35 1HB ARG 35 8.116 1.172 -2.989 279 1HG ARG 35 2HG ARG 35 6.236 2.352 -1.759 280 2HG ARG 35 1HG ARG 35 7.256 3.780 -1.775 281 1HD ARG 35 2HD ARG 35 5.925 4.097 -3.665 282 2HD ARG 35 1HD ARG 35 7.380 3.375 -4.345 283 HE ARG 35 HE ARG 35 4.764 2.107 -4.057 284 1HH1 ARG 35 1HH1 ARG 35 6.396 2.138 -6.607 285 2HH1 ARG 35 2HH1 ARG 35 6.996 0.515 -6.651 286 1HH2 ARG 35 1HH2 ARG 35 6.297 -0.081 -3.313 287 2HH2 ARG 35 2HH2 ARG 35 6.933 -0.752 -4.783 288 H ASP 36 H ASP 36 9.852 3.548 -0.362 289 HA ASP 36 HA ASP 36 12.491 2.880 -1.064 290 1HB ASP 36 2HB ASP 36 11.560 5.191 -0.828 291 2HB ASP 36 1HB ASP 36 11.618 4.951 0.906 292 H ASP 37 H ASP 37 10.686 2.678 1.906 293 HA ASP 37 HA ASP 37 12.677 0.891 3.037 294 1HB ASP 37 2HB ASP 37 13.276 3.299 3.706 295 2HB ASP 37 1HB ASP 37 11.815 3.263 4.687 296 HA PRO 38 HA PRO 38 8.523 -0.529 3.951 297 1HB PRO 38 2HB PRO 38 9.594 -3.178 4.110 298 2HB PRO 38 1HB PRO 38 8.550 -2.482 2.882 299 1HG PRO 38 2HG PRO 38 11.182 -3.234 2.533 300 2HG PRO 38 1HG PRO 38 10.249 -2.178 1.463 301 1HD PRO 38 2HD PRO 38 12.321 -1.464 3.463 302 2HD PRO 38 1HD PRO 38 11.819 -0.609 1.984 303 H SER 39 H SER 39 11.492 -1.382 5.662 304 HA SER 39 HA SER 39 10.233 -2.481 7.964 305 1HB SER 39 2HB SER 39 12.366 -2.320 9.035 306 2HB SER 39 1HB SER 39 12.697 -2.697 7.349 307 HG SER 39 HG SER 39 12.784 -0.262 7.168 308 H GLN 40 H GLN 40 10.750 0.678 6.747 309 HA GLN 40 HA GLN 40 10.220 2.067 9.238 310 1HB GLN 40 2HB GLN 40 11.754 2.772 7.208 311 2HB GLN 40 1HB GLN 40 10.245 3.380 6.538 312 1HG GLN 40 2HG GLN 40 11.167 5.223 7.696 313 2HG GLN 40 1HG GLN 40 9.945 4.594 8.790 314 1HE2 GLN 40 1HE2 GLN 40 10.656 3.789 10.830 315 2HE2 GLN 40 2HE2 GLN 40 12.286 3.751 11.299 316 H SER 41 H SER 41 8.324 0.479 7.016 317 HA SER 41 HA SER 41 6.255 2.094 6.242 318 1HB SER 41 2HB SER 41 4.885 0.067 6.212 319 2HB SER 41 1HB SER 41 6.515 -0.297 5.661 320 HG SER 41 HG SER 41 6.908 -1.362 7.486 321 H ALA 42 H ALA 42 6.629 0.556 9.421 322 HA ALA 42 HA ALA 42 4.086 1.223 10.475 323 1HB ALA 42 1HB ALA 42 6.713 0.882 11.924 324 2HB ALA 42 2HB ALA 42 5.662 -0.453 11.439 325 3HB ALA 42 3HB ALA 42 5.100 0.728 12.625 326 H ASN 43 H ASN 43 7.171 2.808 10.318 327 HA ASN 43 HA ASN 43 6.642 4.959 12.061 328 1HB ASN 43 2HB ASN 43 8.729 4.009 10.284 329 2HB ASN 43 1HB ASN 43 8.582 5.768 10.245 330 1HD2 ASN 43 1HD2 ASN 43 9.490 3.027 12.254 331 2HD2 ASN 43 2HD2 ASN 43 10.051 3.939 13.572 332 H LEU 44 H LEU 44 6.247 4.397 8.679 333 HA LEU 44 HA LEU 44 5.668 7.082 7.888 334 1HB LEU 44 2HB LEU 44 5.172 4.410 6.530 335 2HB LEU 44 1HB LEU 44 5.184 6.002 5.740 336 HG LEU 44 HG LEU 44 7.499 5.032 7.403 337 1HD1 LEU 44 1HD1 LEU 44 8.518 4.779 4.989 338 2HD1 LEU 44 2HD1 LEU 44 6.843 4.376 4.605 339 3HD1 LEU 44 3HD1 LEU 44 7.720 3.453 5.829 340 1HD2 LEU 44 1HD2 LEU 44 7.045 7.234 5.450 341 2HD2 LEU 44 2HD2 LEU 44 8.649 6.760 6.010 342 3HD2 LEU 44 3HD2 LEU 44 7.444 7.345 7.162 343 H LEU 45 H LEU 45 4.001 4.246 8.751 344 HA LEU 45 HA LEU 45 1.329 5.155 8.344 345 1HB LEU 45 2HB LEU 45 1.623 2.808 8.570 346 2HB LEU 45 1HB LEU 45 2.596 2.988 10.024 347 HG LEU 45 HG LEU 45 0.626 3.768 11.268 348 1HD1 LEU 45 1HD1 LEU 45 -1.633 3.487 10.077 349 2HD1 LEU 45 2HD1 LEU 45 -0.715 3.497 8.573 350 3HD1 LEU 45 3HD1 LEU 45 -0.679 4.902 9.637 351 1HD2 LEU 45 1HD2 LEU 45 0.171 1.207 9.706 352 2HD2 LEU 45 2HD2 LEU 45 -0.647 1.636 11.210 353 3HD2 LEU 45 3HD2 LEU 45 1.097 1.375 11.198 354 H ALA 46 H ALA 46 3.684 5.266 10.884 355 HA ALA 46 HA ALA 46 2.118 6.383 12.939 356 1HB ALA 46 1HB ALA 46 4.503 5.329 13.037 357 2HB ALA 46 2HB ALA 46 4.146 6.693 14.093 358 3HB ALA 46 3HB ALA 46 5.046 6.949 12.596 359 H GLU 47 H GLU 47 4.255 7.695 10.517 360 HA GLU 47 HA GLU 47 4.072 10.414 11.156 361 1HB GLU 47 2HB GLU 47 4.734 8.794 8.736 362 2HB GLU 47 1HB GLU 47 4.607 10.546 8.602 363 1HG GLU 47 2HG GLU 47 6.484 8.971 10.365 364 2HG GLU 47 1HG GLU 47 6.906 9.932 8.953 365 H ALA 48 H ALA 48 2.227 8.246 9.145 366 HA ALA 48 HA ALA 48 0.602 10.178 7.908 367 1HB ALA 48 1HB ALA 48 -0.232 8.362 6.853 368 2HB ALA 48 2HB ALA 48 -0.519 7.506 8.366 369 3HB ALA 48 3HB ALA 48 1.079 7.511 7.650 370 H LYS 49 H LYS 49 0.148 8.053 10.719 371 HA LYS 49 HA LYS 49 -2.431 8.969 11.405 372 1HB LYS 49 2HB LYS 49 -0.202 7.795 13.081 373 2HB LYS 49 1HB LYS 49 -1.783 8.208 13.744 374 1HG LYS 49 2HG LYS 49 -2.852 6.717 12.058 375 2HG LYS 49 1HG LYS 49 -1.255 6.253 11.482 376 1HD LYS 49 2HD LYS 49 -0.699 5.438 13.780 377 2HD LYS 49 1HD LYS 49 -2.348 5.817 14.279 378 1HE LYS 49 2HE LYS 49 -3.125 4.297 12.370 379 2HE LYS 49 1HE LYS 49 -1.450 3.762 12.249 380 1HZ LYS 49 1HZ LYS 49 -2.658 2.289 13.680 381 2HZ LYS 49 2HZ LYS 49 -3.193 3.583 14.644 382 3HZ LYS 49 3HZ LYS 49 -1.547 3.165 14.615 383 H LYS 50 H LYS 50 0.810 10.227 11.929 384 HA LYS 50 HA LYS 50 0.023 12.210 13.797 385 1HB LYS 50 2HB LYS 50 2.317 11.272 13.609 386 2HB LYS 50 1HB LYS 50 2.469 12.080 12.052 387 1HG LYS 50 2HG LYS 50 2.268 14.257 13.072 388 2HG LYS 50 1HG LYS 50 1.828 13.544 14.626 389 1HD LYS 50 2HD LYS 50 4.187 14.186 14.674 390 2HD LYS 50 1HD LYS 50 4.043 12.428 14.714 391 1HE LYS 50 2HE LYS 50 5.805 13.187 13.128 392 2HE LYS 50 1HE LYS 50 4.517 12.290 12.330 393 1HZ LYS 50 1HZ LYS 50 3.580 14.256 11.496 394 2HZ LYS 50 2HZ LYS 50 5.251 14.410 11.223 395 3HZ LYS 50 3HZ LYS 50 4.516 15.243 12.509 396 H LEU 51 H LEU 51 0.545 12.078 10.346 397 HA LEU 51 HA LEU 51 0.129 14.846 9.903 398 1HB LEU 51 2HB LEU 51 0.449 12.438 8.203 399 2HB LEU 51 1HB LEU 51 -0.445 13.779 7.492 400 HG LEU 51 HG LEU 51 1.881 14.028 6.932 401 1HD1 LEU 51 1HD1 LEU 51 1.692 16.068 9.082 402 2HD1 LEU 51 2HD1 LEU 51 0.363 16.007 7.924 403 3HD1 LEU 51 3HD1 LEU 51 2.014 16.268 7.360 404 1HD2 LEU 51 1HD2 LEU 51 3.437 14.550 9.006 405 2HD2 LEU 51 2HD2 LEU 51 3.182 12.889 8.487 406 3HD2 LEU 51 3HD2 LEU 51 2.282 13.528 9.861 407 H ASN 52 H ASN 52 -1.877 11.991 9.794 408 HA ASN 52 HA ASN 52 -4.245 13.204 8.844 409 1HB ASN 52 2HB ASN 52 -4.291 10.889 8.710 410 2HB ASN 52 1HB ASN 52 -3.573 10.668 10.299 411 1HD2 ASN 52 1HD2 ASN 52 -5.020 10.190 11.970 412 2HD2 ASN 52 2HD2 ASN 52 -6.702 10.390 11.869 413 H ASP 53 H ASP 53 -2.984 12.454 12.068 414 HA ASP 53 HA ASP 53 -5.162 13.488 13.512 415 1HB ASP 53 2HB ASP 53 -2.275 13.094 14.274 416 2HB ASP 53 1HB ASP 53 -3.484 13.682 15.410 417 H ALA 54 H ALA 54 -2.198 14.934 12.324 418 HA ALA 54 HA ALA 54 -2.495 17.471 13.524 419 1HB ALA 54 1HB ALA 54 -0.924 18.176 11.647 420 2HB ALA 54 2HB ALA 54 -1.000 16.504 11.086 421 3HB ALA 54 3HB ALA 54 -0.344 16.870 12.680 422 H GLN 55 H GLN 55 -3.563 16.039 10.483 423 HA GLN 55 HA GLN 55 -4.779 18.509 9.540 424 1HB GLN 55 2HB GLN 55 -4.584 15.695 8.482 425 2HB GLN 55 1HB GLN 55 -5.561 16.937 7.683 426 1HG GLN 55 2HG GLN 55 -3.634 18.344 7.347 427 2HG GLN 55 1HG GLN 55 -2.629 17.310 8.360 428 1HE2 GLN 55 1HE2 GLN 55 -2.378 15.000 7.542 429 2HE2 GLN 55 2HE2 GLN 55 -2.307 14.763 5.863 430 H ALA 56 H ALA 56 -5.641 16.208 11.769 431 HA ALA 56 HA ALA 56 -8.455 15.972 11.115 432 1HB ALA 56 1HB ALA 56 -7.175 14.181 12.334 433 2HB ALA 56 2HB ALA 56 -8.640 14.701 13.160 434 3HB ALA 56 3HB ALA 56 -7.067 15.272 13.713 435 HA PRO 57 HA PRO 57 -9.885 19.442 13.366 436 1HB PRO 57 2HB PRO 57 -12.305 18.113 14.228 437 2HB PRO 57 1HB PRO 57 -12.085 19.182 12.838 438 1HG PRO 57 2HG PRO 57 -12.663 16.535 12.651 439 2HG PRO 57 1HG PRO 57 -11.795 17.450 11.406 440 1HD PRO 57 2HD PRO 57 -10.681 15.698 13.570 441 2HD PRO 57 1HD PRO 57 -10.247 15.763 11.842 442 H LYS 58 H LYS 58 -8.199 17.663 14.878 443 HA LYS 58 HA LYS 58 -9.310 17.638 17.583 444 1HB LYS 58 2HB LYS 58 -6.725 16.588 16.501 445 2HB LYS 58 1HB LYS 58 -7.251 16.413 18.167 446 1HG LYS 58 2HG LYS 58 -9.355 15.293 17.241 447 2HG LYS 58 1HG LYS 58 -8.535 15.241 15.681 448 1HD LYS 58 2HD LYS 58 -7.377 14.061 18.227 449 2HD LYS 58 1HD LYS 58 -8.302 13.129 17.051 450 1HE LYS 58 2HE LYS 58 -6.653 13.714 15.297 451 2HE LYS 58 1HE LYS 58 -5.718 14.624 16.484 452 1HZ LYS 58 1HZ LYS 58 -4.682 12.710 16.872 453 2HZ LYS 58 2HZ LYS 58 -5.847 11.797 16.039 454 3HZ LYS 58 3HZ LYS 58 -6.092 12.208 17.669 455 1H VAL 1 1HT VAL 1 -15.227 -4.096 -4.661 456 2H VAL 1 2HT VAL 1 -16.775 -4.479 -4.073 457 3H VAL 1 3HT VAL 1 -15.404 -5.254 -3.435 458 HA VAL 1 HA VAL 1 -14.975 -2.527 -3.159 459 HB VAL 1 HB VAL 1 -17.436 -2.305 -3.471 460 1HG1 VAL 1 1HG1 VAL 1 -17.924 -4.615 -2.465 461 2HG1 VAL 1 2HG1 VAL 1 -19.007 -3.310 -1.987 462 3HG1 VAL 1 3HG1 VAL 1 -17.742 -3.851 -0.885 463 1HG2 VAL 1 1HG2 VAL 1 -16.604 -1.815 -0.593 464 2HG2 VAL 1 2HG2 VAL 1 -17.826 -0.934 -1.508 465 3HG2 VAL 1 3HG2 VAL 1 -16.124 -0.789 -1.946 466 H ASP 2 H ASP 2 -16.186 -5.525 -1.708 467 HA ASP 2 HA ASP 2 -14.055 -5.395 0.301 468 1HB ASP 2 2HB ASP 2 -16.109 -4.389 1.328 469 2HB ASP 2 1HB ASP 2 -16.936 -5.924 1.067 470 H ASN 3 H ASN 3 -13.516 -7.433 1.197 471 HA ASN 3 HA ASN 3 -14.867 -9.826 0.427 472 1HB ASN 3 2HB ASN 3 -13.475 -9.073 -1.634 473 2HB ASN 3 1HB ASN 3 -12.078 -9.561 -0.679 474 1HD2 ASN 3 1HD2 ASN 3 -15.258 -10.861 -1.779 475 2HD2 ASN 3 2HD2 ASN 3 -14.709 -12.461 -1.927 476 H LYS 4 H LYS 4 -13.760 -11.764 1.253 477 HA LYS 4 HA LYS 4 -12.804 -11.396 3.896 478 1HB LYS 4 2HB LYS 4 -12.592 -13.807 3.956 479 2HB LYS 4 1HB LYS 4 -14.064 -13.390 3.085 480 1HG LYS 4 2HG LYS 4 -12.757 -13.589 0.934 481 2HG LYS 4 1HG LYS 4 -11.401 -14.199 1.886 482 1HD LYS 4 2HD LYS 4 -12.546 -16.129 1.099 483 2HD LYS 4 1HD LYS 4 -12.999 -15.961 2.796 484 1HE LYS 4 2HE LYS 4 -15.132 -15.074 2.251 485 2HE LYS 4 1HE LYS 4 -14.663 -14.756 0.580 486 1HZ LYS 4 1HZ LYS 4 -14.880 -17.457 1.800 487 2HZ LYS 4 2HZ LYS 4 -14.531 -17.110 0.173 488 3HZ LYS 4 3HZ LYS 4 -16.062 -16.744 0.814 489 H PHE 5 H PHE 5 -11.254 -11.391 0.877 490 HA PHE 5 HA PHE 5 -8.681 -12.305 1.547 491 1HB PHE 5 2HB PHE 5 -9.897 -10.722 -0.686 492 2HB PHE 5 1HB PHE 5 -8.142 -10.793 -0.560 493 HD1 PHE 5 1HD PHE 5 -7.334 -12.334 -2.130 494 HD2 PHE 5 2HD PHE 5 -10.832 -13.289 0.167 495 HE1 PHE 5 1HE PHE 5 -7.375 -14.598 -3.135 496 HE2 PHE 5 2HE PHE 5 -10.878 -15.553 -0.840 497 HZ PHE 5 HZ PHE 5 -9.146 -16.211 -2.491 498 H ASN 6 H ASN 6 -9.867 -10.087 3.367 499 HA ASN 6 HA ASN 6 -8.344 -7.722 3.008 500 1HB ASN 6 2HB ASN 6 -10.271 -8.084 4.649 501 2HB ASN 6 1HB ASN 6 -9.099 -8.882 5.697 502 1HD2 ASN 6 1HD2 ASN 6 -6.882 -7.383 5.730 503 2HD2 ASN 6 2HD2 ASN 6 -7.198 -5.762 6.116 504 H LYS 7 H LYS 7 -7.637 -10.708 4.797 505 HA LYS 7 HA LYS 7 -5.087 -9.957 5.776 506 1HB LYS 7 2HB LYS 7 -6.368 -11.943 6.565 507 2HB LYS 7 1HB LYS 7 -6.105 -12.713 5.002 508 1HG LYS 7 2HG LYS 7 -3.670 -12.663 5.365 509 2HG LYS 7 1HG LYS 7 -3.906 -11.834 6.903 510 1HD LYS 7 2HD LYS 7 -3.630 -14.103 7.516 511 2HD LYS 7 1HD LYS 7 -5.375 -13.858 7.561 512 1HE LYS 7 2HE LYS 7 -5.057 -15.907 6.383 513 2HE LYS 7 1HE LYS 7 -5.405 -14.711 5.136 514 1HZ LYS 7 1HZ LYS 7 -3.188 -16.338 5.304 515 2HZ LYS 7 2HZ LYS 7 -2.629 -14.787 5.712 516 3HZ LYS 7 3HZ LYS 7 -3.425 -15.045 4.232 517 H GLU 8 H GLU 8 -6.197 -11.523 2.845 518 HA GLU 8 HA GLU 8 -3.651 -11.958 1.634 519 1HB GLU 8 2HB GLU 8 -6.482 -11.851 0.514 520 2HB GLU 8 1HB GLU 8 -5.066 -12.386 -0.402 521 1HG GLU 8 2HG GLU 8 -6.178 -13.647 2.126 522 2HG GLU 8 1HG GLU 8 -6.208 -14.339 0.506 523 H ARG 9 H ARG 9 -5.993 -9.358 1.588 524 HA ARG 9 HA ARG 9 -5.113 -7.942 -0.657 525 1HB ARG 9 2HB ARG 9 -7.258 -7.481 0.368 526 2HB ARG 9 1HB ARG 9 -6.482 -6.982 1.870 527 1HG ARG 9 2HG ARG 9 -5.391 -5.113 0.712 528 2HG ARG 9 1HG ARG 9 -6.108 -5.623 -0.813 529 1HD ARG 9 2HD ARG 9 -7.411 -3.802 0.150 530 2HD ARG 9 1HD ARG 9 -8.360 -5.273 0.155 531 HE ARG 9 HE ARG 9 -6.886 -4.535 2.595 532 1HH1 ARG 9 1HH1 ARG 9 -9.361 -6.465 1.751 533 2HH1 ARG 9 2HH1 ARG 9 -10.570 -5.767 2.776 534 1HH2 ARG 9 1HH2 ARG 9 -8.677 -2.975 3.552 535 2HH2 ARG 9 2HH2 ARG 9 -10.182 -3.795 3.793 536 H VAL 10 H VAL 10 -4.267 -7.540 2.825 537 HA VAL 10 HA VAL 10 -2.535 -5.378 2.382 538 HB VAL 10 HB VAL 10 -2.220 -5.291 4.573 539 1HG1 VAL 10 1HG1 VAL 10 -3.907 -7.749 4.978 540 2HG1 VAL 10 2HG1 VAL 10 -4.611 -6.262 4.340 541 3HG1 VAL 10 3HG1 VAL 10 -3.856 -6.266 5.943 542 1HG2 VAL 10 1HG2 VAL 10 -1.617 -8.231 4.761 543 2HG2 VAL 10 2HG2 VAL 10 -1.250 -6.972 5.951 544 3HG2 VAL 10 3HG2 VAL 10 -0.412 -6.987 4.397 545 H ILE 11 H ILE 11 -1.985 -8.829 2.183 546 HA ILE 11 HA ILE 11 0.842 -8.697 1.949 547 HB ILE 11 HB ILE 11 -1.017 -10.708 0.637 548 1HG1 ILE 11 2HG1 ILE 11 -0.818 -10.203 3.354 549 2HG1 ILE 11 1HG1 ILE 11 -1.313 -11.734 2.647 550 1HG2 ILE 11 1HG2 ILE 11 1.934 -10.705 1.343 551 2HG2 ILE 11 2HG2 ILE 11 1.218 -10.850 -0.269 552 3HG2 ILE 11 3HG2 ILE 11 1.041 -12.161 0.899 553 1HD1 ILE 11 1HD1 ILE 11 1.023 -12.539 2.715 554 2HD1 ILE 11 2HD1 ILE 11 0.500 -12.062 4.321 555 3HD1 ILE 11 3HD1 ILE 11 1.548 -10.995 3.388 556 H ALA 12 H ALA 12 -1.834 -8.336 -0.384 557 HA ALA 12 HA ALA 12 -0.165 -8.157 -2.672 558 1HB ALA 12 1HB ALA 12 -2.257 -7.088 -3.691 559 2HB ALA 12 2HB ALA 12 -3.026 -7.380 -2.126 560 3HB ALA 12 3HB ALA 12 -2.440 -8.736 -3.084 561 H ILE 13 H ILE 13 -1.653 -5.784 -0.521 562 HA ILE 13 HA ILE 13 -0.779 -3.475 -1.892 563 HB ILE 13 HB ILE 13 -1.096 -3.929 1.108 564 1HG1 ILE 13 2HG1 ILE 13 -3.032 -2.688 -0.825 565 2HG1 ILE 13 1HG1 ILE 13 -3.085 -4.400 -0.432 566 1HG2 ILE 13 1HG2 ILE 13 0.056 -1.841 0.820 567 2HG2 ILE 13 2HG2 ILE 13 -1.645 -1.436 1.037 568 3HG2 ILE 13 3HG2 ILE 13 -0.922 -1.422 -0.572 569 1HD1 ILE 13 1HD1 ILE 13 -3.379 -2.093 1.477 570 2HD1 ILE 13 2HD1 ILE 13 -3.305 -3.767 1.975 571 3HD1 ILE 13 3HD1 ILE 13 -4.650 -3.206 0.988 572 H GLY 14 H GLY 14 0.654 -5.608 0.495 573 1HA GLY 14 2HA GLY 14 3.149 -4.386 0.854 574 2HA GLY 14 1HA GLY 14 2.823 -6.108 1.008 575 H GLU 15 H GLU 15 2.033 -6.681 -1.644 576 HA GLU 15 HA GLU 15 4.569 -7.027 -2.867 577 1HB GLU 15 2HB GLU 15 2.316 -8.356 -3.161 578 2HB GLU 15 1HB GLU 15 2.019 -7.179 -4.431 579 1HG GLU 15 2HG GLU 15 3.386 -8.294 -5.844 580 2HG GLU 15 1HG GLU 15 4.711 -8.142 -4.684 581 H ILE 16 H ILE 16 1.782 -4.858 -3.502 582 HA ILE 16 HA ILE 16 2.916 -3.614 -5.794 583 HB ILE 16 HB ILE 16 1.504 -1.829 -3.818 584 1HG1 ILE 16 2HG1 ILE 16 0.217 -3.983 -3.785 585 2HG1 ILE 16 1HG1 ILE 16 -0.691 -2.611 -4.362 586 1HG2 ILE 16 1HG2 ILE 16 1.228 -2.174 -6.815 587 2HG2 ILE 16 2HG2 ILE 16 2.263 -1.001 -6.014 588 3HG2 ILE 16 3HG2 ILE 16 0.516 -0.898 -5.833 589 1HD1 ILE 16 1HD1 ILE 16 -0.349 -3.286 -6.657 590 2HD1 ILE 16 2HD1 ILE 16 -1.044 -4.630 -5.740 591 3HD1 ILE 16 3HD1 ILE 16 0.677 -4.633 -6.139 592 H MET 17 H MET 17 3.030 -2.696 -2.403 593 HA MET 17 HA MET 17 4.768 -0.499 -2.571 594 1HB MET 17 2HB MET 17 4.333 -2.374 -0.261 595 2HB MET 17 1HB MET 17 4.975 -0.728 -0.191 596 1HG MET 17 2HG MET 17 2.225 -1.416 -1.246 597 2HG MET 17 1HG MET 17 2.535 -0.844 0.379 598 1HE MET 17 1HE MET 17 4.032 0.805 0.810 599 2HE MET 17 2HE MET 17 3.500 2.439 0.360 600 3HE MET 17 3HE MET 17 4.903 1.729 -0.443 601 H ARG 18 H ARG 18 5.396 -3.950 -2.549 602 HA ARG 18 HA ARG 18 8.166 -3.790 -1.902 603 1HB ARG 18 2HB ARG 18 6.394 -5.876 -3.031 604 2HB ARG 18 1HB ARG 18 8.128 -6.108 -3.112 605 1HG ARG 18 2HG ARG 18 6.880 -5.287 -0.514 606 2HG ARG 18 1HG ARG 18 6.752 -6.963 -1.036 607 1HD ARG 18 2HD ARG 18 8.788 -6.154 0.426 608 2HD ARG 18 1HD ARG 18 9.001 -7.350 -0.841 609 HE ARG 18 HE ARG 18 9.832 -5.493 -2.268 610 1HH1 ARG 18 1HH1 ARG 18 11.280 -5.969 0.571 611 2HH1 ARG 18 2HH1 ARG 18 11.795 -4.343 0.867 612 1HH2 ARG 18 1HH2 ARG 18 9.831 -2.983 -1.639 613 2HH2 ARG 18 2HH2 ARG 18 10.976 -2.655 -0.382 614 H LEU 19 H LEU 19 6.310 -3.908 -4.900 615 HA LEU 19 HA LEU 19 8.370 -4.224 -6.749 616 1HB LEU 19 2HB LEU 19 5.815 -2.660 -7.039 617 2HB LEU 19 1HB LEU 19 6.846 -3.131 -8.359 618 HG LEU 19 HG LEU 19 5.554 -5.088 -6.457 619 1HD1 LEU 19 1HD1 LEU 19 4.009 -5.557 -8.343 620 2HD1 LEU 19 2HD1 LEU 19 4.707 -4.193 -9.217 621 3HD1 LEU 19 3HD1 LEU 19 3.823 -3.926 -7.714 622 1HD2 LEU 19 1HD2 LEU 19 7.657 -5.422 -8.190 623 2HD2 LEU 19 2HD2 LEU 19 6.275 -5.933 -9.149 624 3HD2 LEU 19 3HD2 LEU 19 6.604 -6.699 -7.598 625 HA PRO 20 HA PRO 20 10.320 -0.248 -6.017 626 1HB PRO 20 2HB PRO 20 12.581 -1.206 -7.526 627 2HB PRO 20 1HB PRO 20 12.447 -0.960 -5.782 628 1HG PRO 20 2HG PRO 20 12.714 -3.386 -7.012 629 2HG PRO 20 1HG PRO 20 12.032 -3.137 -5.397 630 1HD PRO 20 2HD PRO 20 10.621 -3.603 -7.989 631 2HD PRO 20 1HD PRO 20 10.211 -4.165 -6.353 632 H ASN 21 H ASN 21 9.425 -1.719 -9.010 633 HA ASN 21 HA ASN 21 10.426 0.511 -10.620 634 1HB ASN 21 2HB ASN 21 8.866 -1.924 -11.470 635 2HB ASN 21 1HB ASN 21 9.622 -0.755 -12.535 636 1HD2 ASN 21 1HD2 ASN 21 10.221 -3.687 -12.232 637 2HD2 ASN 21 2HD2 ASN 21 11.873 -3.766 -11.849 638 H LEU 22 H LEU 22 7.487 -0.460 -9.025 639 HA LEU 22 HA LEU 22 5.690 0.994 -10.718 640 1HB LEU 22 2HB LEU 22 5.342 0.176 -7.835 641 2HB LEU 22 1HB LEU 22 4.074 0.823 -8.853 642 HG LEU 22 HG LEU 22 5.488 -1.826 -9.058 643 1HD1 LEU 22 1HD1 LEU 22 3.031 -2.546 -9.243 644 2HD1 LEU 22 2HD1 LEU 22 2.624 -0.896 -8.775 645 3HD1 LEU 22 3HD1 LEU 22 3.541 -1.919 -7.672 646 1HD2 LEU 22 1HD2 LEU 22 4.015 -2.043 -11.140 647 2HD2 LEU 22 2HD2 LEU 22 5.510 -1.121 -11.284 648 3HD2 LEU 22 3HD2 LEU 22 3.954 -0.287 -11.111 649 H ASN 23 H ASN 23 4.623 2.902 -10.313 650 HA ASN 23 HA ASN 23 6.222 4.991 -9.045 651 1HB ASN 23 2HB ASN 23 5.358 5.912 -10.957 652 2HB ASN 23 1HB ASN 23 4.084 4.734 -11.070 653 1HD2 ASN 23 1HD2 ASN 23 2.396 6.187 -11.535 654 2HD2 ASN 23 2HD2 ASN 23 1.874 7.375 -10.446 655 H SER 24 H SER 24 5.305 6.341 -7.319 656 HA SER 24 HA SER 24 4.032 4.865 -5.275 657 1HB SER 24 2HB SER 24 4.129 7.872 -5.582 658 2HB SER 24 1HB SER 24 3.812 6.990 -4.094 659 HG SER 24 HG SER 24 5.875 6.618 -3.900 660 H LEU 25 H LEU 25 2.825 7.143 -7.658 661 HA LEU 25 HA LEU 25 0.106 7.067 -6.814 662 1HB LEU 25 2HB LEU 25 1.642 8.403 -8.871 663 2HB LEU 25 1HB LEU 25 0.143 7.786 -9.510 664 HG LEU 25 HG LEU 25 0.415 9.499 -7.075 665 1HD1 LEU 25 1HD1 LEU 25 0.835 10.744 -9.163 666 2HD1 LEU 25 2HD1 LEU 25 -0.705 11.221 -8.449 667 3HD1 LEU 25 3HD1 LEU 25 -0.676 10.125 -9.830 668 1HD2 LEU 25 1HD2 LEU 25 -2.225 9.474 -7.909 669 2HD2 LEU 25 2HD2 LEU 25 -1.559 8.551 -6.561 670 3HD2 LEU 25 3HD2 LEU 25 -1.690 7.810 -8.157 671 H GLN 26 H GLN 26 2.067 5.239 -9.125 672 HA GLN 26 HA GLN 26 -0.074 3.842 -10.385 673 1HB GLN 26 2HB GLN 26 2.848 3.438 -10.103 674 2HB GLN 26 1HB GLN 26 1.900 2.003 -10.454 675 1HG GLN 26 2HG GLN 26 0.962 3.080 -12.451 676 2HG GLN 26 1HG GLN 26 1.868 4.554 -12.099 677 1HE2 GLN 26 1HE2 GLN 26 3.760 1.947 -11.125 678 2HE2 GLN 26 2HE2 GLN 26 4.688 1.779 -12.533 679 H VAL 27 H VAL 27 1.868 3.359 -7.566 680 HA VAL 27 HA VAL 27 0.947 0.806 -6.820 681 HB VAL 27 HB VAL 27 2.376 3.039 -5.405 682 1HG1 VAL 27 1HG1 VAL 27 1.373 0.434 -4.253 683 2HG1 VAL 27 2HG1 VAL 27 1.248 2.056 -3.575 684 3HG1 VAL 27 3HG1 VAL 27 2.809 1.241 -3.622 685 1HG2 VAL 27 1HG2 VAL 27 3.756 0.550 -5.471 686 2HG2 VAL 27 2HG2 VAL 27 4.123 2.014 -6.382 687 3HG2 VAL 27 3HG2 VAL 27 3.047 0.797 -7.068 688 H VAL 28 H VAL 28 -0.025 4.073 -6.022 689 HA VAL 28 HA VAL 28 -2.078 3.415 -4.205 690 HB VAL 28 HB VAL 28 -1.775 5.786 -6.075 691 1HG1 VAL 28 1HG1 VAL 28 -3.341 6.039 -3.585 692 2HG1 VAL 28 2HG1 VAL 28 -4.070 5.019 -4.823 693 3HG1 VAL 28 3HG1 VAL 28 -3.663 6.692 -5.193 694 1HG2 VAL 28 1HG2 VAL 28 -1.408 6.203 -3.195 695 2HG2 VAL 28 2HG2 VAL 28 -0.368 6.684 -4.537 696 3HG2 VAL 28 3HG2 VAL 28 -0.238 5.063 -3.858 697 H ALA 29 H ALA 29 -1.838 3.532 -7.707 698 HA ALA 29 HA ALA 29 -4.547 3.406 -8.417 699 1HB ALA 29 1HB ALA 29 -2.689 1.818 -10.088 700 2HB ALA 29 2HB ALA 29 -2.154 3.472 -9.778 701 3HB ALA 29 3HB ALA 29 -3.724 3.181 -10.530 702 H PHE 30 H PHE 30 -2.156 0.863 -7.725 703 HA PHE 30 HA PHE 30 -3.977 -1.258 -8.129 704 1HB PHE 30 2HB PHE 30 -1.250 -1.078 -6.809 705 2HB PHE 30 1HB PHE 30 -2.107 -2.585 -7.137 706 HD1 PHE 30 1HD PHE 30 0.472 -0.663 -8.396 707 HD2 PHE 30 2HD PHE 30 -3.236 -2.424 -9.771 708 HE1 PHE 30 1HE PHE 30 1.240 -0.525 -10.711 709 HE2 PHE 30 2HE PHE 30 -2.420 -2.261 -12.075 710 HZ PHE 30 HZ PHE 30 -0.193 -1.330 -12.560 711 H ILE 31 H ILE 31 -2.723 0.440 -5.247 712 HA ILE 31 HA ILE 31 -3.973 -1.164 -3.296 713 HB ILE 31 HB ILE 31 -3.365 1.807 -3.236 714 1HG1 ILE 31 2HG1 ILE 31 -1.798 -0.459 -1.987 715 2HG1 ILE 31 1HG1 ILE 31 -1.444 0.121 -3.603 716 1HG2 ILE 31 1HG2 ILE 31 -3.342 1.358 -0.714 717 2HG2 ILE 31 2HG2 ILE 31 -4.143 -0.167 -1.079 718 3HG2 ILE 31 3HG2 ILE 31 -4.933 1.357 -1.477 719 1HD1 ILE 31 1HD1 ILE 31 -0.004 1.247 -1.923 720 2HD1 ILE 31 2HD1 ILE 31 -1.456 1.826 -1.092 721 3HD1 ILE 31 3HD1 ILE 31 -1.085 2.393 -2.723 722 H ASN 32 H ASN 32 -5.088 1.769 -4.927 723 HA ASN 32 HA ASN 32 -7.581 2.020 -3.689 724 1HB ASN 32 2HB ASN 32 -6.407 3.721 -5.124 725 2HB ASN 32 1HB ASN 32 -6.886 2.783 -6.533 726 1HD2 ASN 32 1HD2 ASN 32 -8.157 4.650 -7.227 727 2HD2 ASN 32 2HD2 ASN 32 -9.669 4.976 -6.524 728 H SER 33 H SER 33 -6.520 -0.108 -6.320 729 HA SER 33 HA SER 33 -9.164 -0.732 -7.162 730 1HB SER 33 2HB SER 33 -6.457 -1.607 -7.852 731 2HB SER 33 1HB SER 33 -7.767 -2.746 -8.178 732 HG SER 33 HG SER 33 -8.782 -0.678 -9.083 733 H LEU 34 H LEU 34 -6.959 -1.904 -4.738 734 HA LEU 34 HA LEU 34 -8.281 -4.382 -4.202 735 1HB LEU 34 2HB LEU 34 -6.912 -2.684 -2.119 736 2HB LEU 34 1HB LEU 34 -7.074 -4.426 -2.144 737 HG LEU 34 HG LEU 34 -5.430 -2.802 -4.099 738 1HD1 LEU 34 1HD1 LEU 34 -3.536 -3.310 -2.930 739 2HD1 LEU 34 2HD1 LEU 34 -4.220 -4.798 -2.244 740 3HD1 LEU 34 3HD1 LEU 34 -4.689 -3.221 -1.594 741 1HD2 LEU 34 1HD2 LEU 34 -6.521 -5.005 -4.796 742 2HD2 LEU 34 2HD2 LEU 34 -5.374 -5.760 -3.708 743 3HD2 LEU 34 3HD2 LEU 34 -4.801 -4.828 -5.076 744 H ARG 35 H ARG 35 -8.529 -1.079 -3.052 745 HA ARG 35 HA ARG 35 -10.686 -1.397 -1.210 746 1HB ARG 35 2HB ARG 35 -9.828 0.976 -2.886 747 2HB ARG 35 1HB ARG 35 -11.204 1.051 -1.794 748 1HG ARG 35 2HG ARG 35 -9.647 0.250 0.036 749 2HG ARG 35 1HG ARG 35 -8.315 0.514 -1.091 750 1HD ARG 35 2HD ARG 35 -8.580 2.811 -1.061 751 2HD ARG 35 1HD ARG 35 -10.270 2.722 -0.573 752 HE ARG 35 HE ARG 35 -8.176 1.854 1.339 753 1HH1 ARG 35 1HH2 ARG 35 -10.950 2.108 2.300 754 2HH1 ARG 35 2HH2 ARG 35 -10.993 3.692 3.000 755 1HH2 ARG 35 1HH1 ARG 35 -8.119 4.766 1.400 756 2HH2 ARG 35 2HH1 ARG 35 -9.395 5.193 2.490 757 H ASP 36 H ASP 36 -10.563 -0.767 -4.671 758 HA ASP 36 HA ASP 36 -13.328 -0.465 -5.147 759 1HB ASP 36 2HB ASP 36 -11.078 -1.416 -6.946 760 2HB ASP 36 1HB ASP 36 -12.699 -1.028 -7.514 761 H ASP 37 H ASP 37 -11.222 -3.258 -4.925 762 HA ASP 37 HA ASP 37 -13.304 -5.076 -4.293 763 1HB ASP 37 2HB ASP 37 -12.632 -4.815 -7.155 764 2HB ASP 37 1HB ASP 37 -12.534 -6.463 -6.536 765 HA PRO 38 HA PRO 38 -9.286 -6.475 -2.852 766 1HB PRO 38 2HB PRO 38 -10.677 -7.872 -0.758 767 2HB PRO 38 1HB PRO 38 -9.650 -6.448 -0.639 768 1HG PRO 38 2HG PRO 38 -12.365 -6.514 -0.228 769 2HG PRO 38 1HG PRO 38 -11.405 -5.065 -0.534 770 1HD PRO 38 2HD PRO 38 -13.205 -6.544 -2.373 771 2HD PRO 38 1HD PRO 38 -12.725 -4.832 -2.380 772 H SER 39 H SER 39 -12.042 -8.169 -3.929 773 HA SER 39 HA SER 39 -11.269 -10.854 -3.531 774 1HB SER 39 2HB SER 39 -12.881 -9.744 -5.844 775 2HB SER 39 1HB SER 39 -12.907 -11.393 -5.225 776 HG SER 39 HG SER 39 -13.765 -9.016 -3.931 777 H GLN 40 H GLN 40 -10.619 -8.467 -6.035 778 HA GLN 40 HA GLN 40 -8.832 -10.325 -7.390 779 1HB GLN 40 2HB GLN 40 -9.252 -7.731 -8.676 780 2HB GLN 40 1HB GLN 40 -9.358 -9.345 -9.337 781 1HG GLN 40 2HG GLN 40 -11.587 -9.570 -8.073 782 2HG GLN 40 1HG GLN 40 -11.496 -7.824 -7.849 783 1HE2 GLN 40 1HE2 GLN 40 -12.779 -10.129 -9.864 784 2HE2 GLN 40 2HE2 GLN 40 -12.913 -9.212 -11.286 785 H SER 41 H SER 41 -8.116 -8.988 -4.834 786 HA SER 41 HA SER 41 -6.461 -6.798 -5.264 787 1HB SER 41 2HB SER 41 -6.313 -9.063 -3.263 788 2HB SER 41 1HB SER 41 -5.187 -7.713 -3.226 789 HG SER 41 HG SER 41 -7.258 -6.419 -3.285 790 H ALA 42 H ALA 42 -5.975 -10.155 -5.747 791 HA ALA 42 HA ALA 42 -3.171 -10.114 -6.265 792 1HB ALA 42 1HB ALA 42 -5.208 -12.121 -7.234 793 2HB ALA 42 2HB ALA 42 -4.593 -12.101 -5.578 794 3HB ALA 42 3HB ALA 42 -3.488 -12.389 -6.926 795 H ASN 43 H ASN 43 -6.052 -9.533 -8.136 796 HA ASN 43 HA ASN 43 -5.041 -9.989 -10.727 797 1HB ASN 43 2HB ASN 43 -7.411 -9.917 -9.983 798 2HB ASN 43 1HB ASN 43 -7.253 -8.159 -9.933 799 1HD2 ASN 43 1HD2 ASN 43 -6.871 -10.936 -12.198 800 2HD2 ASN 43 2HD2 ASN 43 -7.250 -10.040 -13.588 801 H LEU 44 H LEU 44 -5.738 -6.937 -9.021 802 HA LEU 44 HA LEU 44 -4.447 -5.476 -11.059 803 1HB LEU 44 2HB LEU 44 -5.038 -3.474 -9.904 804 2HB LEU 44 1HB LEU 44 -6.403 -4.561 -9.858 805 HG LEU 44 HG LEU 44 -5.959 -3.319 -7.774 806 1HD1 LEU 44 1HD1 LEU 44 -6.988 -5.745 -8.138 807 2HD1 LEU 44 2HD1 LEU 44 -6.963 -4.868 -6.610 808 3HD1 LEU 44 3HD1 LEU 44 -5.722 -6.088 -6.960 809 1HD2 LEU 44 1HD2 LEU 44 -3.404 -3.834 -8.033 810 2HD2 LEU 44 2HD2 LEU 44 -3.864 -5.188 -6.995 811 3HD2 LEU 44 3HD2 LEU 44 -4.171 -3.536 -6.489 812 H LEU 45 H LEU 45 -3.595 -6.976 -8.098 813 HA LEU 45 HA LEU 45 -1.088 -5.666 -7.718 814 1HB LEU 45 2HB LEU 45 -1.947 -7.004 -5.909 815 2HB LEU 45 1HB LEU 45 -2.124 -8.407 -6.960 816 HG LEU 45 HG LEU 45 0.571 -7.121 -6.570 817 1HD1 LEU 45 1HD1 LEU 45 0.818 -9.011 -4.810 818 2HD1 LEU 45 2HD1 LEU 45 -0.939 -8.931 -4.718 819 3HD1 LEU 45 3HD1 LEU 45 0.032 -7.503 -4.372 820 1HD2 LEU 45 1HD2 LEU 45 0.855 -8.724 -8.180 821 2HD2 LEU 45 2HD2 LEU 45 -0.530 -9.673 -7.652 822 3HD2 LEU 45 3HD2 LEU 45 0.997 -9.778 -6.778 823 H ALA 46 H ALA 46 -2.430 -8.314 -9.520 824 HA ALA 46 HA ALA 46 -0.060 -9.406 -10.643 825 1HB ALA 46 1HB ALA 46 -2.918 -9.724 -11.018 826 2HB ALA 46 2HB ALA 46 -1.621 -10.818 -11.493 827 3HB ALA 46 3HB ALA 46 -2.144 -9.544 -12.591 828 H GLU 47 H GLU 47 -2.284 -6.856 -11.572 829 HA GLU 47 HA GLU 47 -1.051 -6.011 -13.951 830 1HB GLU 47 2HB GLU 47 -2.676 -4.442 -11.928 831 2HB GLU 47 1HB GLU 47 -2.203 -3.844 -13.509 832 1HG GLU 47 2HG GLU 47 -3.974 -6.209 -12.917 833 2HG GLU 47 1HG GLU 47 -4.487 -4.650 -13.532 834 H ALA 48 H ALA 48 -0.460 -5.427 -10.538 835 HA ALA 48 HA ALA 48 1.260 -3.183 -10.818 836 1HB ALA 48 1HB ALA 48 1.485 -5.116 -8.567 837 2HB ALA 48 2HB ALA 48 -0.059 -4.286 -8.792 838 3HB ALA 48 3HB ALA 48 1.411 -3.352 -8.532 839 H LYS 49 H LYS 49 1.825 -6.613 -10.196 840 HA LYS 49 HA LYS 49 4.632 -6.466 -10.158 841 1HB LYS 49 2HB LYS 49 2.671 -8.674 -10.676 842 2HB LYS 49 1HB LYS 49 4.409 -8.964 -10.707 843 1HG LYS 49 2HG LYS 49 4.470 -7.909 -8.386 844 2HG LYS 49 1HG LYS 49 2.712 -8.019 -8.397 845 1HD LYS 49 2HD LYS 49 4.656 -10.329 -8.702 846 2HD LYS 49 1HD LYS 49 3.660 -9.992 -7.296 847 1HE LYS 49 2HE LYS 49 2.132 -11.379 -8.225 848 2HE LYS 49 1HE LYS 49 1.806 -10.078 -9.365 849 1HZ LYS 49 1HZ LYS 49 2.301 -12.033 -10.594 850 2HZ LYS 49 2HZ LYS 49 3.721 -12.315 -9.704 851 3HZ LYS 49 3HZ LYS 49 3.626 -10.985 -10.757 852 H LYS 50 H LYS 50 2.257 -6.887 -12.672 853 HA LYS 50 HA LYS 50 4.044 -7.303 -14.844 854 1HB LYS 50 2HB LYS 50 1.186 -6.412 -14.655 855 2HB LYS 50 1HB LYS 50 2.039 -6.486 -16.196 856 1HG LYS 50 2HG LYS 50 2.646 -8.909 -15.571 857 2HG LYS 50 1HG LYS 50 1.432 -8.777 -14.308 858 1HD LYS 50 2HD LYS 50 0.910 -8.291 -17.258 859 2HD LYS 50 1HD LYS 50 0.536 -9.788 -16.409 860 1HE LYS 50 2HE LYS 50 -1.513 -8.759 -16.200 861 2HE LYS 50 1HE LYS 50 -0.739 -8.077 -14.771 862 1HZ LYS 50 1HZ LYS 50 -0.397 -6.713 -17.344 863 2HZ LYS 50 2HZ LYS 50 -0.439 -6.065 -15.775 864 3HZ LYS 50 3HZ LYS 50 -1.878 -6.549 -16.536 865 H LEU 51 H LEU 51 2.581 -4.451 -13.343 866 HA LEU 51 HA LEU 51 3.522 -2.622 -15.331 867 1HB LEU 51 2HB LEU 51 2.094 -2.443 -12.790 868 2HB LEU 51 1HB LEU 51 3.299 -1.172 -12.957 869 HG LEU 51 HG LEU 51 1.075 -0.559 -13.901 870 1HD1 LEU 51 1HD1 LEU 51 2.660 0.800 -14.833 871 2HD1 LEU 51 2HD1 LEU 51 2.224 -0.085 -16.298 872 3HD1 LEU 51 3HD1 LEU 51 3.661 -0.554 -15.381 873 1HD2 LEU 51 1HD2 LEU 51 -0.009 -2.102 -15.147 874 2HD2 LEU 51 2HD2 LEU 51 1.415 -3.141 -15.185 875 3HD2 LEU 51 3HD2 LEU 51 1.207 -1.884 -16.405 876 H ASN 52 H ASN 52 4.673 -3.797 -12.279 877 HA ASN 52 HA ASN 52 7.011 -2.198 -12.089 878 1HB ASN 52 2HB ASN 52 6.254 -3.438 -10.169 879 2HB ASN 52 1HB ASN 52 6.355 -4.959 -11.037 880 1HD2 ASN 52 1HD2 ASN 52 8.585 -5.625 -11.729 881 2HD2 ASN 52 2HD2 ASN 52 9.910 -5.166 -10.774 882 H ASP 53 H ASP 53 6.144 -5.228 -13.561 883 HA ASP 53 HA ASP 53 8.740 -5.884 -14.588 884 1HB ASP 53 2HB ASP 53 5.969 -6.730 -15.466 885 2HB ASP 53 1HB ASP 53 7.449 -7.389 -16.146 886 H ALA 54 H ALA 54 6.015 -4.016 -15.723 887 HA ALA 54 HA ALA 54 6.808 -3.621 -18.403 888 1HB ALA 54 1HB ALA 54 5.054 -2.083 -18.512 889 2HB ALA 54 2HB ALA 54 5.233 -1.615 -16.822 890 3HB ALA 54 3HB ALA 54 4.541 -3.184 -17.233 891 H GLN 55 H GLN 55 7.436 -1.861 -15.407 892 HA GLN 55 HA GLN 55 9.032 0.162 -16.775 893 1HB GLN 55 2HB GLN 55 8.262 -0.255 -13.928 894 2HB GLN 55 1HB GLN 55 9.235 1.092 -14.481 895 1HG GLN 55 2HG GLN 55 7.458 2.074 -15.608 896 2HG GLN 55 1HG GLN 55 6.623 0.537 -15.834 897 1HE2 GLN 55 1HE2 GLN 55 6.124 -0.535 -13.511 898 2HE2 GLN 55 2HE2 GLN 55 5.380 0.525 -12.416 899 H ALA 56 H ALA 56 9.519 -2.907 -15.516 900 HA ALA 56 HA ALA 56 12.041 -2.627 -14.232 901 1HB ALA 56 1HB ALA 56 12.267 -5.042 -14.550 902 2HB ALA 56 2HB ALA 56 10.934 -5.033 -15.699 903 3HB ALA 56 3HB ALA 56 10.637 -4.658 -14.004 904 HA PRO 57 HA PRO 57 14.771 -2.341 -17.618 905 1HB PRO 57 2HB PRO 57 16.849 -3.919 -16.392 906 2HB PRO 57 1HB PRO 57 16.675 -2.159 -16.401 907 1HG PRO 57 2HG PRO 57 16.463 -3.718 -14.169 908 2HG PRO 57 1HG PRO 57 15.728 -2.115 -14.352 909 1HD PRO 57 2HD PRO 57 14.468 -4.817 -14.709 910 2HD PRO 57 1HD PRO 57 13.818 -3.372 -13.896 911 H LYS 58 H LYS 58 16.117 -3.565 -19.161 912 HA LYS 58 HA LYS 58 15.360 -6.381 -19.473 913 1HB LYS 58 2HB LYS 58 14.977 -4.122 -21.357 914 2HB LYS 58 1HB LYS 58 15.273 -5.723 -21.995 915 1HG LYS 58 2HG LYS 58 12.991 -5.909 -21.826 916 2HG LYS 58 1HG LYS 58 13.362 -6.307 -20.149 917 1HD LYS 58 2HD LYS 58 13.225 -3.755 -19.711 918 2HD LYS 58 1HD LYS 58 12.448 -3.658 -21.289 919 1HE LYS 58 2HE LYS 58 10.619 -3.890 -19.834 920 2HE LYS 58 1HE LYS 58 10.889 -5.547 -20.373 921 1HZ LYS 58 1HZ LYS 58 10.929 -5.963 -18.183 922 2HZ LYS 58 2HZ LYS 58 11.288 -4.356 -17.763 923 3HZ LYS 58 3HZ LYS 58 12.528 -5.403 -18.267 Start of MODEL 24 1 1H VAL 1 1HT VAL 1 6.930 -18.819 8.358 2 2H VAL 1 2HT VAL 1 6.507 -17.201 8.060 3 3H VAL 1 3HT VAL 1 7.181 -18.148 6.821 4 HA VAL 1 HA VAL 1 5.274 -19.455 6.596 5 HB VAL 1 HB VAL 1 4.896 -19.746 9.031 6 1HG1 VAL 1 1HG1 VAL 1 3.802 -18.076 10.366 7 2HG1 VAL 1 2HG1 VAL 1 3.509 -17.050 8.964 8 3HG1 VAL 1 3HG1 VAL 1 5.151 -17.272 9.568 9 1HG2 VAL 1 1HG2 VAL 1 3.105 -20.258 7.316 10 2HG2 VAL 1 2HG2 VAL 1 2.396 -18.684 7.677 11 3HG2 VAL 1 3HG2 VAL 1 2.489 -19.918 8.933 12 H ASP 2 H ASP 2 5.350 -16.090 7.661 13 HA ASP 2 HA ASP 2 3.946 -15.284 5.213 14 1HB ASP 2 2HB ASP 2 2.229 -15.512 7.032 15 2HB ASP 2 1HB ASP 2 3.108 -14.295 7.953 16 H ASN 3 H ASN 3 4.462 -13.216 4.514 17 HA ASN 3 HA ASN 3 6.948 -12.122 5.546 18 1HB ASN 3 2HB ASN 3 5.139 -11.294 3.256 19 2HB ASN 3 1HB ASN 3 6.671 -10.510 3.645 20 1HD2 ASN 3 1HD2 ASN 3 5.248 -13.162 1.961 21 2HD2 ASN 3 2HD2 ASN 3 6.690 -13.960 1.559 22 H LYS 4 H LYS 4 6.366 -11.380 7.600 23 HA LYS 4 HA LYS 4 4.147 -9.804 8.236 24 1HB LYS 4 2HB LYS 4 5.663 -10.946 9.872 25 2HB LYS 4 1HB LYS 4 6.867 -9.695 9.566 26 1HG LYS 4 2HG LYS 4 5.743 -8.905 11.480 27 2HG LYS 4 1HG LYS 4 4.956 -8.028 10.171 28 1HD LYS 4 2HD LYS 4 3.131 -9.679 10.135 29 2HD LYS 4 1HD LYS 4 3.931 -10.600 11.407 30 1HE LYS 4 2HE LYS 4 2.354 -9.317 12.596 31 2HE LYS 4 1HE LYS 4 3.833 -8.372 12.763 32 1HZ LYS 4 1HZ LYS 4 2.464 -7.697 10.371 33 2HZ LYS 4 2HZ LYS 4 2.916 -6.697 11.669 34 3HZ LYS 4 3HZ LYS 4 1.433 -7.527 11.708 35 H PHE 5 H PHE 5 7.456 -8.752 7.368 36 HA PHE 5 HA PHE 5 6.997 -6.011 7.635 37 1HB PHE 5 2HB PHE 5 9.095 -5.686 6.737 38 2HB PHE 5 1HB PHE 5 9.228 -7.356 7.272 39 HD1 PHE 5 1HD PHE 5 9.287 -5.101 4.431 40 HD2 PHE 5 2HD PHE 5 8.858 -9.228 5.582 41 HE1 PHE 5 1HE PHE 5 9.781 -5.807 2.107 42 HE2 PHE 5 2HE PHE 5 9.353 -9.925 3.255 43 HZ PHE 5 HZ PHE 5 9.813 -8.218 1.519 44 H ASN 6 H ASN 6 6.594 -8.165 4.825 45 HA ASN 6 HA ASN 6 5.885 -6.138 2.963 46 1HB ASN 6 2HB ASN 6 6.558 -8.420 2.299 47 2HB ASN 6 1HB ASN 6 5.085 -9.045 3.029 48 1HD2 ASN 6 1HD2 ASN 6 4.055 -9.767 1.132 49 2HD2 ASN 6 2HD2 ASN 6 3.578 -8.724 -0.121 50 H LYS 7 H LYS 7 4.027 -8.288 5.068 51 HA LYS 7 HA LYS 7 1.459 -7.487 4.254 52 1HB LYS 7 2HB LYS 7 2.108 -9.511 5.686 53 2HB LYS 7 1HB LYS 7 2.219 -8.392 7.043 54 1HG LYS 7 2HG LYS 7 -0.103 -7.803 6.855 55 2HG LYS 7 1HG LYS 7 -0.253 -8.643 5.311 56 1HD LYS 7 2HD LYS 7 0.706 -10.286 7.597 57 2HD LYS 7 1HD LYS 7 -0.974 -9.760 7.675 58 1HE LYS 7 2HE LYS 7 -1.463 -10.769 5.530 59 2HE LYS 7 1HE LYS 7 0.247 -11.109 5.258 60 1HZ LYS 7 1HZ LYS 7 -0.580 -13.108 6.023 61 2HZ LYS 7 2HZ LYS 7 -1.600 -12.378 7.170 62 3HZ LYS 7 3HZ LYS 7 0.079 -12.422 7.427 63 H GLU 8 H GLU 8 3.721 -6.348 6.704 64 HA GLU 8 HA GLU 8 2.005 -4.322 7.724 65 1HB GLU 8 2HB GLU 8 4.966 -4.838 7.950 66 2HB GLU 8 1HB GLU 8 4.191 -3.435 8.701 67 1HG GLU 8 2HG GLU 8 2.738 -4.860 10.018 68 2HG GLU 8 1HG GLU 8 3.304 -6.297 9.178 69 H LEU 9 H LEU 9 4.471 -4.443 5.273 70 HA LEU 9 HA LEU 9 4.718 -1.670 4.665 71 1HB LEU 9 2HB LEU 9 6.334 -3.278 3.838 72 2HB LEU 9 1HB LEU 9 5.077 -4.177 3.004 73 HG LEU 9 HG LEU 9 4.653 -2.011 1.671 74 1HD1 LEU 9 1HD1 LEU 9 6.616 -0.985 3.414 75 2HD1 LEU 9 2HD1 LEU 9 5.978 -0.240 1.943 76 3HD1 LEU 9 3HD1 LEU 9 7.423 -1.200 1.855 77 1HD2 LEU 9 1HD2 LEU 9 5.659 -3.942 0.665 78 2HD2 LEU 9 2HD2 LEU 9 7.213 -3.588 1.423 79 3HD2 LEU 9 3HD2 LEU 9 6.574 -2.519 0.169 80 H GLY 10 H GLY 10 2.542 -4.225 3.566 81 1HA GLY 10 2HA GLY 10 1.090 -2.523 1.800 82 2HA GLY 10 1HA GLY 10 0.645 -4.146 2.308 83 H TRP 11 H TRP 11 0.595 -3.909 5.038 84 HA TRP 11 HA TRP 11 -1.921 -2.820 5.352 85 1HB TRP 11 2HB TRP 11 -0.603 -4.559 6.850 86 2HB TRP 11 1HB TRP 11 -0.348 -3.103 7.813 87 HD1 TRP 11 HD TRP 11 -2.033 -3.624 9.683 88 HE1 TRP 11 1HE TRP 11 -4.599 -3.822 9.796 89 HE3 TRP 11 3HE TRP 11 -3.234 -3.682 4.689 90 HZ2 TRP 11 2HZ TRP 11 -6.844 -3.907 8.059 91 HZ3 TRP 11 3HZ TRP 11 -5.556 -3.780 3.957 92 HH2 TRP 11 HH TRP 11 -7.392 -3.909 5.635 93 H ALA 12 H ALA 12 1.159 -1.546 6.394 94 HA ALA 12 HA ALA 12 0.087 0.711 7.614 95 1HB ALA 12 1HB ALA 12 2.382 0.248 8.023 96 2HB ALA 12 2HB ALA 12 2.389 1.721 7.048 97 3HB ALA 12 3HB ALA 12 2.747 0.167 6.302 98 H THR 13 H THR 13 0.981 -0.023 4.255 99 HA THR 13 HA THR 13 0.585 2.484 3.060 100 HB THR 13 HB THR 13 0.615 -0.331 2.203 101 HG1 THR 13 1HG THR 13 1.473 1.663 0.559 102 1HG2 THR 13 1HG2 THR 13 -1.536 0.311 1.212 103 2HG2 THR 13 2HG2 THR 13 -0.298 0.200 -0.037 104 3HG2 THR 13 3HG2 THR 13 -0.804 1.780 0.560 105 H TRP 14 H TRP 14 -1.655 -0.151 3.728 106 HA TRP 14 HA TRP 14 -3.992 1.053 2.698 107 1HB TRP 14 2HB TRP 14 -3.488 -1.387 3.317 108 2HB TRP 14 1HB TRP 14 -3.934 -0.930 4.952 109 HD1 TRP 14 HD TRP 14 -6.425 -0.815 5.506 110 HE1 TRP 14 1HE TRP 14 -8.595 -1.107 4.161 111 HE3 TRP 14 3HE TRP 14 -4.541 -0.812 0.734 112 HZ2 TRP 14 2HZ TRP 14 -9.410 -1.314 1.440 113 HZ3 TRP 14 3HZ TRP 14 -6.034 -1.063 -1.167 114 HH2 TRP 14 HH TRP 14 -8.430 -1.316 -0.821 115 H GLU 15 H GLU 15 -2.709 0.841 6.009 116 HA GLU 15 HA GLU 15 -4.864 2.126 7.288 117 1HB GLU 15 2HB GLU 15 -1.942 1.877 8.040 118 2HB GLU 15 1HB GLU 15 -3.190 2.500 9.123 119 1HG GLU 15 2HG GLU 15 -4.378 0.413 9.114 120 2HG GLU 15 1HG GLU 15 -3.421 -0.212 7.775 121 H ILE 16 H ILE 16 -1.924 3.343 5.781 122 HA ILE 16 HA ILE 16 -2.317 6.118 6.457 123 HB ILE 16 HB ILE 16 -0.692 4.756 4.250 124 1HG1 ILE 16 2HG1 ILE 16 0.299 5.971 6.832 125 2HG1 ILE 16 1HG1 ILE 16 -0.083 4.275 6.691 126 1HG2 ILE 16 1HG2 ILE 16 -0.263 6.801 3.424 127 2HG2 ILE 16 2HG2 ILE 16 0.438 7.256 4.970 128 3HG2 ILE 16 3HG2 ILE 16 -1.273 7.552 4.660 129 1HD1 ILE 16 1HD1 ILE 16 1.685 5.342 4.556 130 2HD1 ILE 16 2HD1 ILE 16 1.794 3.828 5.462 131 3HD1 ILE 16 3HD1 ILE 16 2.392 5.321 6.180 132 H PHE 17 H PHE 17 -3.203 3.929 3.868 133 HA PHE 17 HA PHE 17 -4.285 5.717 1.947 134 1HB PHE 17 2HB PHE 17 -3.809 3.032 2.082 135 2HB PHE 17 1HB PHE 17 -5.537 3.046 2.294 136 HD1 PHE 17 1HD PHE 17 -6.976 3.342 0.461 137 HD2 PHE 17 2HD PHE 17 -2.790 4.175 0.034 138 HE1 PHE 17 1HE PHE 17 -7.255 3.446 -1.995 139 HE2 PHE 17 2HE PHE 17 -3.050 4.293 -2.429 140 HZ PHE 17 HZ PHE 17 -5.292 3.921 -3.431 141 H ASN 18 H ASN 18 -5.641 3.975 4.693 142 HA ASN 18 HA ASN 18 -8.332 4.984 4.266 143 1HB ASN 18 2HB ASN 18 -7.107 3.091 6.273 144 2HB ASN 18 1HB ASN 18 -8.793 3.592 6.340 145 1HD2 ASN 18 1HD2 ASN 18 -6.532 2.410 3.761 146 2HD2 ASN 18 2HD2 ASN 18 -7.651 1.319 3.099 147 H LEU 19 H LEU 19 -5.724 6.528 5.574 148 HA LEU 19 HA LEU 19 -6.772 7.304 8.086 149 1HB LEU 19 2HB LEU 19 -4.500 8.126 6.426 150 2HB LEU 19 1HB LEU 19 -5.153 9.417 7.430 151 HG LEU 19 HG LEU 19 -4.287 6.673 8.428 152 1HD1 LEU 19 1HD1 LEU 19 -2.654 8.243 9.675 153 2HD1 LEU 19 2HD1 LEU 19 -3.074 9.406 8.428 154 3HD1 LEU 19 3HD1 LEU 19 -2.334 7.868 7.988 155 1HD2 LEU 19 1HD2 LEU 19 -5.668 7.187 10.157 156 2HD2 LEU 19 2HD2 LEU 19 -5.844 8.860 9.634 157 3HD2 LEU 19 3HD2 LEU 19 -4.446 8.386 10.589 158 HA PRO 20 HA PRO 20 -9.854 10.056 6.458 159 1HB PRO 20 2HB PRO 20 -10.436 11.003 9.127 160 2HB PRO 20 1HB PRO 20 -11.322 9.803 8.172 161 1HG PRO 20 2HG PRO 20 -9.958 9.236 10.454 162 2HG PRO 20 1HG PRO 20 -10.245 8.061 9.157 163 1HD PRO 20 2HD PRO 20 -7.789 9.723 9.669 164 2HD PRO 20 1HD PRO 20 -7.908 7.995 9.287 165 H ASN 21 H ASN 21 -6.902 11.258 7.193 166 HA ASN 21 HA ASN 21 -7.920 14.027 6.900 167 1HB ASN 21 2HB ASN 21 -6.236 13.054 9.180 168 2HB ASN 21 1HB ASN 21 -6.232 14.742 8.689 169 1HD2 ASN 21 1HD2 ASN 21 -8.024 12.316 10.412 170 2HD2 ASN 21 2HD2 ASN 21 -9.362 13.286 10.789 171 H LEU 22 H LEU 22 -5.783 11.747 5.820 172 HA LEU 22 HA LEU 22 -3.611 13.603 5.207 173 1HB LEU 22 2HB LEU 22 -4.012 10.714 4.423 174 2HB LEU 22 1HB LEU 22 -2.551 11.663 4.138 175 HG LEU 22 HG LEU 22 -3.752 11.084 6.862 176 1HD1 LEU 22 1HD1 LEU 22 -1.500 9.839 7.042 177 2HD1 LEU 22 2HD1 LEU 22 -1.504 9.864 5.280 178 3HD1 LEU 22 3HD1 LEU 22 -2.809 9.067 6.153 179 1HD2 LEU 22 1HD2 LEU 22 -1.275 11.866 7.395 180 2HD2 LEU 22 2HD2 LEU 22 -2.572 13.048 7.224 181 3HD2 LEU 22 3HD2 LEU 22 -1.462 12.742 5.881 182 H ASN 23 H ASN 23 -2.926 14.135 3.096 183 HA ASN 23 HA ASN 23 -5.155 14.161 1.163 184 1HB ASN 23 2HB ASN 23 -4.092 16.015 0.091 185 2HB ASN 23 1HB ASN 23 -4.076 16.343 1.818 186 1HD2 ASN 23 1HD2 ASN 23 -2.225 17.409 -0.263 187 2HD2 ASN 23 2HD2 ASN 23 -0.669 16.934 0.220 188 H GLY 24 H GLY 24 -4.515 13.895 -1.146 189 1HA GLY 24 2HA GLY 24 -3.577 11.379 -1.680 190 2HA GLY 24 1HA GLY 24 -3.558 12.685 -2.856 191 H VAL 25 H VAL 25 -1.644 14.326 -1.362 192 HA VAL 25 HA VAL 25 0.761 13.149 -2.393 193 HB VAL 25 HB VAL 25 0.299 15.672 -0.807 194 1HG1 VAL 25 1HG1 VAL 25 2.612 16.197 -1.891 195 2HG1 VAL 25 2HG1 VAL 25 2.759 14.446 -2.058 196 3HG1 VAL 25 3HG1 VAL 25 2.588 15.169 -0.458 197 1HG2 VAL 25 1HG2 VAL 25 0.527 14.947 -3.733 198 2HG2 VAL 25 2HG2 VAL 25 0.840 16.594 -3.173 199 3HG2 VAL 25 3HG2 VAL 25 -0.749 15.866 -2.932 200 H GLN 26 H GLN 26 -0.298 13.939 0.974 201 HA GLN 26 HA GLN 26 2.054 12.975 2.159 202 1HB GLN 26 2HB GLN 26 -0.667 13.615 3.117 203 2HB GLN 26 1HB GLN 26 0.323 12.588 4.145 204 1HG GLN 26 2HG GLN 26 1.829 14.244 4.618 205 2HG GLN 26 1HG GLN 26 1.730 14.934 2.993 206 1HE2 GLN 26 1HE2 GLN 26 -0.144 14.638 5.996 207 2HE2 GLN 26 2HE2 GLN 26 -0.935 16.130 5.839 208 H VAL 27 H VAL 27 -1.006 11.336 1.429 209 HA VAL 27 HA VAL 27 -0.293 8.839 2.579 210 HB VAL 27 HB VAL 27 -2.127 9.373 0.218 211 1HG1 VAL 27 1HG1 VAL 27 -1.857 7.008 2.102 212 2HG1 VAL 27 2HG1 VAL 27 -1.475 7.014 0.380 213 3HG1 VAL 27 3HG1 VAL 27 -3.145 7.201 0.913 214 1HG2 VAL 27 1HG2 VAL 27 -2.846 10.616 2.203 215 2HG2 VAL 27 2HG2 VAL 27 -2.671 9.175 3.203 216 3HG2 VAL 27 3HG2 VAL 27 -3.920 9.241 1.961 217 H LYS 28 H LYS 28 0.046 10.185 -0.663 218 HA LYS 28 HA LYS 28 1.266 7.983 -1.930 219 1HB LYS 28 2HB LYS 28 0.313 9.916 -3.142 220 2HB LYS 28 1HB LYS 28 1.560 10.968 -2.482 221 1HG LYS 28 2HG LYS 28 3.271 9.481 -3.624 222 2HG LYS 28 1HG LYS 28 1.923 8.650 -4.408 223 1HD LYS 28 2HD LYS 28 1.152 10.841 -5.326 224 2HD LYS 28 1HD LYS 28 2.571 11.609 -4.619 225 1HE LYS 28 2HE LYS 28 4.059 10.324 -6.011 226 2HE LYS 28 1HE LYS 28 2.735 9.310 -6.585 227 1HZ LYS 28 1HZ LYS 28 3.322 12.127 -7.218 228 2HZ LYS 28 2HZ LYS 28 1.738 11.528 -7.366 229 3HZ LYS 28 3HZ LYS 28 2.998 10.838 -8.274 230 H ALA 29 H ALA 29 2.545 10.587 0.043 231 HA ALA 29 HA ALA 29 5.295 10.103 -0.471 232 1HB ALA 29 1HB ALA 29 4.304 12.225 0.447 233 2HB ALA 29 2HB ALA 29 5.715 11.615 1.312 234 3HB ALA 29 3HB ALA 29 4.100 11.364 1.972 235 H PHE 30 H PHE 30 3.064 9.157 2.081 236 HA PHE 30 HA PHE 30 4.955 7.825 3.645 237 1HB PHE 30 2HB PHE 30 1.970 7.439 3.437 238 2HB PHE 30 1HB PHE 30 2.996 6.752 4.694 239 HD1 PHE 30 1HD PHE 30 4.860 8.862 5.405 240 HD2 PHE 30 2HD PHE 30 0.666 9.185 4.413 241 HE1 PHE 30 1HE PHE 30 4.702 10.967 6.671 242 HE2 PHE 30 2HE PHE 30 0.543 11.274 5.707 243 HZ PHE 30 HZ PHE 30 2.553 12.156 6.819 244 H ILE 31 H ILE 31 2.887 6.896 0.952 245 HA ILE 31 HA ILE 31 3.578 4.145 1.023 246 HB ILE 31 HB ILE 31 2.425 5.890 -1.149 247 1HG1 ILE 31 2HG1 ILE 31 1.267 3.665 0.565 248 2HG1 ILE 31 1HG1 ILE 31 0.995 5.386 0.811 249 1HG2 ILE 31 1HG2 ILE 31 2.683 4.255 -2.701 250 2HG2 ILE 31 2HG2 ILE 31 2.081 3.030 -1.592 251 3HG2 ILE 31 3HG2 ILE 31 3.789 3.440 -1.598 252 1HD1 ILE 31 1HD1 ILE 31 -0.841 4.197 -0.442 253 2HD1 ILE 31 2HD1 ILE 31 0.305 3.942 -1.753 254 3HD1 ILE 31 3HD1 ILE 31 -0.158 5.581 -1.290 255 H ASP 32 H ASP 32 4.815 6.973 -0.660 256 HA ASP 32 HA ASP 32 6.709 5.646 -2.257 257 1HB ASP 32 2HB ASP 32 5.978 8.056 -2.490 258 2HB ASP 32 1HB ASP 32 7.018 8.428 -1.118 259 H SER 33 H SER 33 6.882 6.971 0.956 260 HA SER 33 HA SER 33 9.631 6.452 1.477 261 1HB SER 33 2HB SER 33 7.262 6.804 3.336 262 2HB SER 33 1HB SER 33 8.949 6.758 3.856 263 HG SER 33 HG SER 33 7.854 8.563 1.951 264 H LEU 34 H LEU 34 6.656 4.679 1.874 265 HA LEU 34 HA LEU 34 7.490 2.420 3.375 266 1HB LEU 34 2HB LEU 34 5.281 3.238 1.602 267 2HB LEU 34 1HB LEU 34 5.581 1.532 1.635 268 HG LEU 34 HG LEU 34 5.521 2.799 4.269 269 1HD1 LEU 34 1HD1 LEU 34 2.906 2.560 4.104 270 2HD1 LEU 34 2HD1 LEU 34 3.185 2.836 2.389 271 3HD1 LEU 34 3HD1 LEU 34 3.667 4.052 3.566 272 1HD2 LEU 34 1HD2 LEU 34 5.675 0.461 4.142 273 2HD2 LEU 34 2HD2 LEU 34 4.426 0.355 2.914 274 3HD2 LEU 34 3HD2 LEU 34 4.001 0.764 4.576 275 H ARG 35 H ARG 35 7.210 2.897 -0.134 276 HA ARG 35 HA ARG 35 8.301 0.422 -0.953 277 1HB ARG 35 2HB ARG 35 9.051 2.713 -2.663 278 2HB ARG 35 1HB ARG 35 8.222 1.224 -3.081 279 1HG ARG 35 2HG ARG 35 6.183 2.217 -1.881 280 2HG ARG 35 1HG ARG 35 7.074 3.729 -1.901 281 1HD ARG 35 2HD ARG 35 5.782 3.898 -3.832 282 2HD ARG 35 1HD ARG 35 7.316 3.295 -4.456 283 HE ARG 35 HE ARG 35 4.799 1.838 -4.284 284 1HH1 ARG 35 1HH2 ARG 35 6.515 1.811 -6.731 285 2HH1 ARG 35 2HH2 ARG 35 7.261 0.250 -6.640 286 1HH2 ARG 35 1HH1 ARG 35 6.519 -0.170 -3.286 287 2HH2 ARG 35 2HH1 ARG 35 7.258 -0.878 -4.691 288 H ASP 36 H ASP 36 9.838 3.562 -0.415 289 HA ASP 36 HA ASP 36 12.471 2.872 -1.111 290 1HB ASP 36 2HB ASP 36 11.586 5.188 -0.881 291 2HB ASP 36 1HB ASP 36 11.590 4.947 0.854 292 H ASP 37 H ASP 37 10.671 2.686 1.870 293 HA ASP 37 HA ASP 37 12.627 0.847 2.970 294 1HB ASP 37 2HB ASP 37 13.330 3.209 3.646 295 2HB ASP 37 1HB ASP 37 11.860 3.260 4.614 296 HA PRO 38 HA PRO 38 8.438 -0.474 3.912 297 1HB PRO 38 2HB PRO 38 9.466 -3.137 4.100 298 2HB PRO 38 1HB PRO 38 8.423 -2.444 2.872 299 1HG PRO 38 2HG PRO 38 11.052 -3.240 2.530 300 2HG PRO 38 1HG PRO 38 10.111 -2.226 1.427 301 1HD PRO 38 2HD PRO 38 12.232 -1.448 3.333 302 2HD PRO 38 1HD PRO 38 11.657 -0.617 1.871 303 H SER 39 H SER 39 11.422 -1.239 5.565 304 HA SER 39 HA SER 39 10.344 -2.389 7.909 305 1HB SER 39 2HB SER 39 12.842 -0.678 7.748 306 2HB SER 39 1HB SER 39 12.474 -1.924 8.935 307 HG SER 39 HG SER 39 13.155 -2.166 6.216 308 H GLN 40 H GLN 40 10.662 0.837 6.705 309 HA GLN 40 HA GLN 40 9.970 2.134 9.195 310 1HB GLN 40 2HB GLN 40 10.935 2.947 6.542 311 2HB GLN 40 1HB GLN 40 9.749 4.051 7.224 312 1HG GLN 40 2HG GLN 40 11.868 4.823 7.976 313 2HG GLN 40 1HG GLN 40 11.130 4.027 9.361 314 1HE2 GLN 40 1HE2 GLN 40 13.984 4.174 7.548 315 2HE2 GLN 40 2HE2 GLN 40 14.667 2.699 8.037 316 H SER 41 H SER 41 8.173 0.456 6.977 317 HA SER 41 HA SER 41 6.041 2.001 6.203 318 1HB SER 41 2HB SER 41 4.735 -0.075 6.221 319 2HB SER 41 1HB SER 41 6.370 -0.426 5.687 320 HG SER 41 HG SER 41 5.899 -1.930 7.211 321 H ALA 42 H ALA 42 6.626 0.579 9.383 322 HA ALA 42 HA ALA 42 4.120 1.197 10.584 323 1HB ALA 42 1HB ALA 42 5.822 -0.430 11.454 324 2HB ALA 42 2HB ALA 42 5.277 0.740 12.659 325 3HB ALA 42 3HB ALA 42 6.844 0.953 11.865 326 H ASN 43 H ASN 43 7.221 2.761 10.328 327 HA ASN 43 HA ASN 43 6.760 4.942 12.038 328 1HB ASN 43 2HB ASN 43 8.712 4.181 9.920 329 2HB ASN 43 1HB ASN 43 8.712 5.847 10.514 330 1HD2 ASN 43 1HD2 ASN 43 9.944 2.738 11.118 331 2HD2 ASN 43 2HD2 ASN 43 10.434 2.978 12.725 332 H LEU 44 H LEU 44 6.261 4.375 8.663 333 HA LEU 44 HA LEU 44 5.671 7.058 7.883 334 1HB LEU 44 2HB LEU 44 5.164 4.375 6.566 335 2HB LEU 44 1HB LEU 44 5.122 5.953 5.756 336 HG LEU 44 HG LEU 44 7.515 5.075 7.361 337 1HD1 LEU 44 1HD1 LEU 44 7.480 3.393 5.768 338 2HD1 LEU 44 2HD1 LEU 44 8.562 4.610 5.097 339 3HD1 LEU 44 3HD1 LEU 44 6.904 4.473 4.498 340 1HD2 LEU 44 1HD2 LEU 44 7.366 7.371 7.018 341 2HD2 LEU 44 2HD2 LEU 44 6.935 7.160 5.322 342 3HD2 LEU 44 3HD2 LEU 44 8.564 6.768 5.872 343 H LEU 45 H LEU 45 4.023 4.240 8.816 344 HA LEU 45 HA LEU 45 1.344 5.149 8.432 345 1HB LEU 45 2HB LEU 45 1.658 2.797 8.670 346 2HB LEU 45 1HB LEU 45 2.620 2.994 10.129 347 HG LEU 45 HG LEU 45 0.651 3.768 11.359 348 1HD1 LEU 45 1HD1 LEU 45 -0.629 4.926 9.720 349 2HD1 LEU 45 2HD1 LEU 45 -1.604 3.526 10.159 350 3HD1 LEU 45 3HD1 LEU 45 -0.684 3.520 8.657 351 1HD2 LEU 45 1HD2 LEU 45 1.097 1.379 11.286 352 2HD2 LEU 45 2HD2 LEU 45 0.201 1.222 9.773 353 3HD2 LEU 45 3HD2 LEU 45 -0.646 1.646 11.264 354 H ALA 46 H ALA 46 3.740 5.260 10.940 355 HA ALA 46 HA ALA 46 2.194 6.403 12.999 356 1HB ALA 46 1HB ALA 46 5.129 6.915 12.620 357 2HB ALA 46 2HB ALA 46 4.552 5.321 13.116 358 3HB ALA 46 3HB ALA 46 4.238 6.725 14.133 359 H GLU 47 H GLU 47 4.347 7.687 10.565 360 HA GLU 47 HA GLU 47 4.183 10.408 11.185 361 1HB GLU 47 2HB GLU 47 4.806 8.781 8.759 362 2HB GLU 47 1HB GLU 47 4.710 10.535 8.639 363 1HG GLU 47 2HG GLU 47 6.581 8.912 10.365 364 2HG GLU 47 1HG GLU 47 7.001 9.874 8.955 365 H ALA 48 H ALA 48 2.328 8.245 9.176 366 HA ALA 48 HA ALA 48 0.726 10.172 7.926 367 1HB ALA 48 1HB ALA 48 1.135 7.844 7.177 368 2HB ALA 48 2HB ALA 48 -0.568 8.237 7.258 369 3HB ALA 48 3HB ALA 48 0.169 7.271 8.529 370 H LYS 49 H LYS 49 0.225 8.075 10.759 371 HA LYS 49 HA LYS 49 -2.343 9.059 11.434 372 1HB LYS 49 2HB LYS 49 -0.158 7.799 13.105 373 2HB LYS 49 1HB LYS 49 -1.730 8.255 13.766 374 1HG LYS 49 2HG LYS 49 -2.836 6.823 12.051 375 2HG LYS 49 1HG LYS 49 -1.249 6.313 11.484 376 1HD LYS 49 2HD LYS 49 -0.747 5.447 13.774 377 2HD LYS 49 1HD LYS 49 -2.387 5.877 14.262 378 1HE LYS 49 2HE LYS 49 -3.109 4.433 12.198 379 2HE LYS 49 1HE LYS 49 -1.489 3.750 12.333 380 1HZ LYS 49 1HZ LYS 49 -3.586 3.789 14.429 381 2HZ LYS 49 2HZ LYS 49 -1.983 3.296 14.699 382 3HZ LYS 49 3HZ LYS 49 -2.973 2.430 13.622 383 H LYS 50 H LYS 50 0.915 10.247 11.946 384 HA LYS 50 HA LYS 50 0.130 12.244 13.824 385 1HB LYS 50 2HB LYS 50 2.650 11.672 12.293 386 2HB LYS 50 1HB LYS 50 2.464 13.176 13.204 387 1HG LYS 50 2HG LYS 50 1.855 11.769 15.224 388 2HG LYS 50 1HG LYS 50 2.316 10.348 14.294 389 1HD LYS 50 2HD LYS 50 4.158 12.702 14.803 390 2HD LYS 50 1HD LYS 50 4.144 11.238 15.782 391 1HE LYS 50 2HE LYS 50 4.496 9.968 13.558 392 2HE LYS 50 1HE LYS 50 4.916 11.541 12.880 393 1HZ LYS 50 1HZ LYS 50 6.465 11.684 14.915 394 2HZ LYS 50 2HZ LYS 50 6.937 10.738 13.585 395 3HZ LYS 50 3HZ LYS 50 6.294 9.998 14.973 396 H LEU 51 H LEU 51 0.650 12.065 10.384 397 HA LEU 51 HA LEU 51 0.309 14.844 9.918 398 1HB LEU 51 2HB LEU 51 0.583 12.420 8.240 399 2HB LEU 51 1HB LEU 51 -0.316 13.755 7.526 400 HG LEU 51 HG LEU 51 2.003 13.998 6.931 401 1HD1 LEU 51 1HD1 LEU 51 0.503 15.988 7.945 402 2HD1 LEU 51 2HD1 LEU 51 2.135 16.237 7.327 403 3HD1 LEU 51 3HD1 LEU 51 1.868 16.058 9.060 404 1HD2 LEU 51 1HD2 LEU 51 2.432 13.516 9.862 405 2HD2 LEU 51 2HD2 LEU 51 3.593 14.512 8.984 406 3HD2 LEU 51 3HD2 LEU 51 3.307 12.850 8.484 407 H ASN 52 H ASN 52 -1.781 12.025 9.772 408 HA ASN 52 HA ASN 52 -4.112 13.291 8.865 409 1HB ASN 52 2HB ASN 52 -4.685 11.109 8.835 410 2HB ASN 52 1HB ASN 52 -3.278 10.707 9.796 411 1HD2 ASN 52 1HD2 ASN 52 -6.686 11.381 9.933 412 2HD2 ASN 52 2HD2 ASN 52 -6.913 10.889 11.538 413 H ASP 53 H ASP 53 -2.812 12.539 12.066 414 HA ASP 53 HA ASP 53 -4.913 13.622 13.571 415 1HB ASP 53 2HB ASP 53 -3.335 12.183 14.653 416 2HB ASP 53 1HB ASP 53 -1.999 13.258 14.251 417 H ALA 54 H ALA 54 -1.936 15.028 12.329 418 HA ALA 54 HA ALA 54 -2.163 17.571 13.501 419 1HB ALA 54 1HB ALA 54 -0.774 16.527 11.040 420 2HB ALA 54 2HB ALA 54 -0.060 17.015 12.576 421 3HB ALA 54 3HB ALA 54 -0.707 18.235 11.479 422 H GLN 55 H GLN 55 -3.397 16.149 10.520 423 HA GLN 55 HA GLN 55 -4.652 18.628 9.646 424 1HB GLN 55 2HB GLN 55 -4.519 15.812 8.581 425 2HB GLN 55 1HB GLN 55 -5.547 17.045 7.839 426 1HG GLN 55 2HG GLN 55 -3.661 18.442 7.343 427 2HG GLN 55 1HG GLN 55 -2.590 17.468 8.349 428 1HE2 GLN 55 1HE2 GLN 55 -2.594 15.010 7.603 429 2HE2 GLN 55 2HE2 GLN 55 -2.464 14.775 5.927 430 H ALA 56 H ALA 56 -5.381 16.227 11.850 431 HA ALA 56 HA ALA 56 -8.268 16.214 11.431 432 1HB ALA 56 1HB ALA 56 -8.324 14.678 13.343 433 2HB ALA 56 2HB ALA 56 -6.611 14.961 13.641 434 3HB ALA 56 3HB ALA 56 -7.126 14.139 12.171 435 HA PRO 57 HA PRO 57 -9.304 19.810 13.740 436 1HB PRO 57 2HB PRO 57 -11.394 18.473 15.180 437 2HB PRO 57 1HB PRO 57 -11.530 19.520 13.762 438 1HG PRO 57 2HG PRO 57 -11.470 16.598 13.931 439 2HG PRO 57 1HG PRO 57 -12.250 17.658 12.744 440 1HD PRO 57 2HD PRO 57 -10.059 16.306 12.090 441 2HD PRO 57 1HD PRO 57 -10.283 17.987 11.550 442 H LYS 58 H LYS 58 -9.034 20.666 15.667 443 HA LYS 58 HA LYS 58 -8.383 19.018 18.011 444 1HB LYS 58 2HB LYS 58 -6.636 21.201 16.943 445 2HB LYS 58 1HB LYS 58 -6.385 20.374 18.472 446 1HG LYS 58 2HG LYS 58 -6.236 18.212 17.210 447 2HG LYS 58 1HG LYS 58 -6.339 19.128 15.708 448 1HD LYS 58 2HD LYS 58 -4.309 20.413 16.408 449 2HD LYS 58 1HD LYS 58 -4.166 19.350 17.807 450 1HE LYS 58 2HE LYS 58 -4.052 18.514 14.891 451 2HE LYS 58 1HE LYS 58 -2.706 18.528 16.030 452 1HZ LYS 58 1HZ LYS 58 -3.295 16.398 16.334 453 2HZ LYS 58 2HZ LYS 58 -4.871 16.626 15.742 454 3HZ LYS 58 3HZ LYS 58 -4.495 17.042 17.346 455 1H VAL 1 1HT VAL 1 -18.531 -2.443 2.421 456 2H VAL 1 2HT VAL 1 -17.228 -2.600 1.341 457 3H VAL 1 3HT VAL 1 -16.952 -2.109 2.944 458 HA VAL 1 HA VAL 1 -17.293 -4.192 3.814 459 HB VAL 1 HB VAL 1 -19.486 -4.498 2.671 460 1HG1 VAL 1 1HG1 VAL 1 -19.619 -5.391 0.429 461 2HG1 VAL 1 2HG1 VAL 1 -17.865 -5.539 0.325 462 3HG1 VAL 1 3HG1 VAL 1 -18.615 -3.944 0.365 463 1HG2 VAL 1 1HG2 VAL 1 -17.732 -6.929 2.216 464 2HG2 VAL 1 2HG2 VAL 1 -19.439 -6.894 2.655 465 3HG2 VAL 1 3HG2 VAL 1 -18.218 -6.396 3.826 466 H ASP 2 H ASP 2 -15.914 -6.024 3.612 467 HA ASP 2 HA ASP 2 -14.085 -6.036 1.291 468 1HB ASP 2 2HB ASP 2 -13.083 -4.801 3.249 469 2HB ASP 2 1HB ASP 2 -13.187 -6.297 4.174 470 H ASN 3 H ASN 3 -13.570 -8.026 0.565 471 HA ASN 3 HA ASN 3 -15.040 -10.285 1.410 472 1HB ASN 3 2HB ASN 3 -13.904 -9.679 -0.901 473 2HB ASN 3 1HB ASN 3 -12.539 -10.558 -0.220 474 1HD2 ASN 3 1HD2 ASN 3 -15.933 -10.891 -1.235 475 2HD2 ASN 3 2HD2 ASN 3 -15.919 -12.588 -1.299 476 H LYS 4 H LYS 4 -13.694 -12.469 1.742 477 HA LYS 4 HA LYS 4 -12.477 -12.297 4.284 478 1HB LYS 4 2HB LYS 4 -11.833 -14.682 3.923 479 2HB LYS 4 1HB LYS 4 -13.537 -14.365 3.621 480 1HG LYS 4 2HG LYS 4 -13.356 -15.069 1.492 481 2HG LYS 4 1HG LYS 4 -12.038 -13.951 1.188 482 1HD LYS 4 2HD LYS 4 -11.556 -16.530 2.675 483 2HD LYS 4 1HD LYS 4 -11.572 -16.487 0.915 484 1HE LYS 4 2HE LYS 4 -9.343 -16.040 1.187 485 2HE LYS 4 1HE LYS 4 -9.918 -14.391 1.403 486 1HZ LYS 4 1HZ LYS 4 -8.373 -15.371 3.163 487 2HZ LYS 4 2HZ LYS 4 -9.732 -16.245 3.690 488 3HZ LYS 4 3HZ LYS 4 -9.756 -14.547 3.695 489 H PHE 5 H PHE 5 -11.296 -11.555 1.263 490 HA PHE 5 HA PHE 5 -8.570 -12.284 1.521 491 1HB PHE 5 2HB PHE 5 -10.121 -10.452 -0.297 492 2HB PHE 5 1HB PHE 5 -8.358 -10.524 -0.370 493 HD1 PHE 5 1HD PHE 5 -11.309 -12.796 -0.175 494 HD2 PHE 5 2HD PHE 5 -7.379 -12.125 -1.758 495 HE1 PHE 5 1HE PHE 5 -11.454 -14.928 -1.447 496 HE2 PHE 5 2HE PHE 5 -7.515 -14.249 -3.023 497 HZ PHE 5 HZ PHE 5 -9.545 -15.654 -2.857 498 H ASN 6 H ASN 6 -10.008 -10.403 3.639 499 HA ASN 6 HA ASN 6 -8.731 -7.894 3.571 500 1HB ASN 6 2HB ASN 6 -10.488 -8.737 5.258 501 2HB ASN 6 1HB ASN 6 -9.141 -9.473 6.119 502 1HD2 ASN 6 1HD2 ASN 6 -7.153 -7.439 5.785 503 2HD2 ASN 6 2HD2 ASN 6 -7.677 -6.040 6.590 504 H LYS 7 H LYS 7 -7.635 -10.970 4.967 505 HA LYS 7 HA LYS 7 -5.064 -10.085 5.794 506 1HB LYS 7 2HB LYS 7 -6.030 -12.157 6.645 507 2HB LYS 7 1HB LYS 7 -6.104 -12.830 5.018 508 1HG LYS 7 2HG LYS 7 -3.594 -12.635 4.894 509 2HG LYS 7 1HG LYS 7 -3.597 -12.147 6.590 510 1HD LYS 7 2HD LYS 7 -4.624 -14.270 7.238 511 2HD LYS 7 1HD LYS 7 -4.760 -14.751 5.548 512 1HE LYS 7 2HE LYS 7 -2.177 -14.268 7.067 513 2HE LYS 7 1HE LYS 7 -2.808 -15.830 6.555 514 1HZ LYS 7 1HZ LYS 7 -1.764 -13.633 4.875 515 2HZ LYS 7 2HZ LYS 7 -2.774 -14.836 4.226 516 3HZ LYS 7 3HZ LYS 7 -1.278 -15.257 4.915 517 H GLU 8 H GLU 8 -6.256 -11.718 2.904 518 HA GLU 8 HA GLU 8 -3.809 -11.961 1.525 519 1HB GLU 8 2HB GLU 8 -6.647 -11.796 0.441 520 2HB GLU 8 1HB GLU 8 -5.246 -12.413 -0.439 521 1HG GLU 8 2HG GLU 8 -6.552 -13.594 2.029 522 2HG GLU 8 1HG GLU 8 -6.426 -14.324 0.430 523 H ARG 9 H ARG 9 -6.173 -9.378 1.678 524 HA ARG 9 HA ARG 9 -5.323 -7.889 -0.556 525 1HB ARG 9 2HB ARG 9 -7.520 -7.629 0.610 526 2HB ARG 9 1HB ARG 9 -6.675 -6.909 1.978 527 1HG ARG 9 2HG ARG 9 -5.781 -5.154 0.413 528 2HG ARG 9 1HG ARG 9 -6.787 -5.835 -0.855 529 1HD ARG 9 2HD ARG 9 -7.959 -3.963 0.162 530 2HD ARG 9 1HD ARG 9 -8.791 -5.460 0.576 531 HE ARG 9 HE ARG 9 -6.811 -4.423 2.485 532 1HH1 ARG 9 1HH2 ARG 9 -9.633 -3.014 2.040 533 2HH1 ARG 9 2HH2 ARG 9 -10.467 -3.633 3.422 534 1HH2 ARG 9 1HH1 ARG 9 -8.102 -6.069 4.078 535 2HH2 ARG 9 2HH1 ARG 9 -9.604 -5.363 4.573 536 H VAL 10 H VAL 10 -4.531 -7.822 2.894 537 HA VAL 10 HA VAL 10 -2.883 -5.560 2.958 538 HB VAL 10 HB VAL 10 -2.464 -8.048 4.596 539 1HG1 VAL 10 1HG1 VAL 10 -0.718 -6.633 5.066 540 2HG1 VAL 10 2HG1 VAL 10 -1.893 -6.175 6.304 541 3HG1 VAL 10 3HG1 VAL 10 -1.690 -5.181 4.860 542 1HG2 VAL 10 1HG2 VAL 10 -4.518 -7.792 5.472 543 2HG2 VAL 10 2HG2 VAL 10 -4.816 -6.369 4.480 544 3HG2 VAL 10 3HG2 VAL 10 -4.036 -6.200 6.062 545 H ILE 11 H ILE 11 -2.194 -8.901 2.079 546 HA ILE 11 HA ILE 11 0.632 -8.586 1.896 547 HB ILE 11 HB ILE 11 -1.111 -10.639 0.518 548 1HG1 ILE 11 2HG1 ILE 11 -0.462 -10.145 3.356 549 2HG1 ILE 11 1HG1 ILE 11 -1.700 -11.176 2.653 550 1HG2 ILE 11 1HG2 ILE 11 1.255 -10.469 -0.271 551 2HG2 ILE 11 2HG2 ILE 11 0.937 -11.996 0.544 552 3HG2 ILE 11 3HG2 ILE 11 1.806 -10.713 1.387 553 1HD1 ILE 11 1HD1 ILE 11 1.187 -11.856 3.227 554 2HD1 ILE 11 2HD1 ILE 11 0.207 -12.831 2.123 555 3HD1 ILE 11 3HD1 ILE 11 -0.270 -12.663 3.810 556 H ALA 12 H ALA 12 -2.005 -8.420 -0.520 557 HA ALA 12 HA ALA 12 -0.320 -7.943 -2.768 558 1HB ALA 12 1HB ALA 12 -2.573 -8.687 -3.157 559 2HB ALA 12 2HB ALA 12 -2.459 -7.029 -3.752 560 3HB ALA 12 3HB ALA 12 -3.229 -7.362 -2.198 561 H ILE 13 H ILE 13 -2.026 -5.878 -0.459 562 HA ILE 13 HA ILE 13 -1.427 -3.395 -1.639 563 HB ILE 13 HB ILE 13 -1.663 -4.111 1.314 564 1HG1 ILE 13 2HG1 ILE 13 -3.764 -2.687 -0.293 565 2HG1 ILE 13 1HG1 ILE 13 -3.701 -4.438 -0.324 566 1HG2 ILE 13 1HG2 ILE 13 -2.213 -1.696 1.577 567 2HG2 ILE 13 2HG2 ILE 13 -1.772 -1.445 -0.112 568 3HG2 ILE 13 3HG2 ILE 13 -0.551 -1.961 1.044 569 1HD1 ILE 13 1HD1 ILE 13 -4.185 -4.611 1.945 570 2HD1 ILE 13 2HD1 ILE 13 -5.159 -3.232 1.469 571 3HD1 ILE 13 3HD1 ILE 13 -3.614 -2.983 2.281 572 H GLY 14 H GLY 14 0.308 -5.548 0.519 573 1HA GLY 14 2HA GLY 14 2.640 -3.916 0.854 574 2HA GLY 14 1HA GLY 14 2.506 -5.636 1.215 575 H GLU 15 H GLU 15 1.741 -6.507 -1.374 576 HA GLU 15 HA GLU 15 4.277 -6.898 -2.500 577 1HB GLU 15 2HB GLU 15 2.084 -8.299 -2.641 578 2HB GLU 15 1HB GLU 15 1.768 -7.318 -4.055 579 1HG GLU 15 2HG GLU 15 3.862 -7.999 -5.088 580 2HG GLU 15 1HG GLU 15 4.345 -8.853 -3.626 581 H ILE 16 H ILE 16 1.581 -4.725 -3.346 582 HA ILE 16 HA ILE 16 2.706 -3.776 -5.783 583 HB ILE 16 HB ILE 16 1.415 -1.823 -3.846 584 1HG1 ILE 16 2HG1 ILE 16 -0.081 -3.792 -3.912 585 2HG1 ILE 16 1HG1 ILE 16 -0.802 -2.397 -4.673 586 1HG2 ILE 16 1HG2 ILE 16 1.356 -2.083 -6.871 587 2HG2 ILE 16 2HG2 ILE 16 2.333 -0.954 -5.945 588 3HG2 ILE 16 3HG2 ILE 16 0.582 -0.812 -5.932 589 1HD1 ILE 16 1HD1 ILE 16 -0.310 -3.222 -6.854 590 2HD1 ILE 16 2HD1 ILE 16 -1.080 -4.532 -5.955 591 3HD1 ILE 16 3HD1 ILE 16 0.667 -4.539 -6.199 592 H MET 17 H MET 17 3.029 -2.726 -2.474 593 HA MET 17 HA MET 17 4.904 -0.644 -2.776 594 1HB MET 17 2HB MET 17 4.447 -2.359 -0.353 595 2HB MET 17 1HB MET 17 5.060 -0.703 -0.409 596 1HG MET 17 2HG MET 17 2.343 -1.466 -1.456 597 2HG MET 17 1HG MET 17 2.596 -0.923 0.193 598 1HE MET 17 1HE MET 17 3.914 0.819 0.771 599 2HE MET 17 2HE MET 17 3.592 2.462 0.173 600 3HE MET 17 3HE MET 17 4.979 1.559 -0.453 601 H ARG 18 H ARG 18 5.277 -4.122 -2.696 602 HA ARG 18 HA ARG 18 8.069 -4.115 -2.035 603 1HB ARG 18 2HB ARG 18 6.245 -6.192 -3.147 604 2HB ARG 18 1HB ARG 18 7.956 -6.484 -2.969 605 1HG ARG 18 2HG ARG 18 6.198 -5.570 -0.692 606 2HG ARG 18 1HG ARG 18 6.500 -7.266 -1.033 607 1HD ARG 18 2HD ARG 18 8.577 -5.165 -0.348 608 2HD ARG 18 1HD ARG 18 8.028 -6.472 0.691 609 HE ARG 18 HE ARG 18 8.986 -8.006 -1.087 610 1HH1 ARG 18 1HH2 ARG 18 9.835 -5.647 -2.854 611 2HH1 ARG 18 2HH2 ARG 18 11.528 -5.557 -2.501 612 1HH2 ARG 18 1HH1 ARG 18 11.303 -7.509 0.353 613 2HH2 ARG 18 2HH1 ARG 18 12.359 -6.611 -0.685 614 H LEU 19 H LEU 19 6.162 -4.117 -5.005 615 HA LEU 19 HA LEU 19 8.192 -4.670 -6.865 616 1HB LEU 19 2HB LEU 19 5.834 -2.828 -7.222 617 2HB LEU 19 1HB LEU 19 6.799 -3.503 -8.501 618 HG LEU 19 HG LEU 19 5.248 -5.194 -6.529 619 1HD1 LEU 19 1HD1 LEU 19 3.649 -3.868 -7.744 620 2HD1 LEU 19 2HD1 LEU 19 3.667 -5.466 -8.477 621 3HD1 LEU 19 3HD1 LEU 19 4.513 -4.126 -9.263 622 1HD2 LEU 19 1HD2 LEU 19 6.662 -5.692 -9.135 623 2HD2 LEU 19 2HD2 LEU 19 5.427 -6.797 -8.528 624 3HD2 LEU 19 3HD2 LEU 19 6.904 -6.511 -7.596 625 HA PRO 20 HA PRO 20 10.471 -0.877 -6.082 626 1HB PRO 20 2HB PRO 20 12.650 -1.985 -7.608 627 2HB PRO 20 1HB PRO 20 12.525 -1.771 -5.860 628 1HG PRO 20 2HG PRO 20 12.593 -4.181 -7.145 629 2HG PRO 20 1HG PRO 20 11.914 -3.912 -5.531 630 1HD PRO 20 2HD PRO 20 10.502 -4.181 -8.152 631 2HD PRO 20 1HD PRO 20 10.030 -4.764 -6.540 632 H ASN 21 H ASN 21 9.137 -1.912 -9.003 633 HA ASN 21 HA ASN 21 10.481 0.234 -10.539 634 1HB ASN 21 2HB ASN 21 8.788 -2.032 -11.569 635 2HB ASN 21 1HB ASN 21 9.669 -0.867 -12.537 636 1HD2 ASN 21 1HD2 ASN 21 9.980 -3.894 -12.243 637 2HD2 ASN 21 2HD2 ASN 21 11.624 -4.109 -11.874 638 H LEU 22 H LEU 22 7.491 -0.555 -8.994 639 HA LEU 22 HA LEU 22 5.796 1.033 -10.686 640 1HB LEU 22 2HB LEU 22 5.371 0.108 -7.847 641 2HB LEU 22 1HB LEU 22 4.155 0.892 -8.831 642 HG LEU 22 HG LEU 22 5.439 -1.809 -9.253 643 1HD1 LEU 22 1HD1 LEU 22 2.986 -2.465 -9.281 644 2HD1 LEU 22 2HD1 LEU 22 2.610 -0.816 -8.791 645 3HD1 LEU 22 3HD1 LEU 22 3.559 -1.851 -7.729 646 1HD2 LEU 22 1HD2 LEU 22 5.346 -0.985 -11.427 647 2HD2 LEU 22 2HD2 LEU 22 3.910 -0.008 -11.087 648 3HD2 LEU 22 3HD2 LEU 22 3.770 -1.749 -11.246 649 H ASN 23 H ASN 23 4.733 2.938 -10.142 650 HA ASN 23 HA ASN 23 6.409 4.938 -8.804 651 1HB ASN 23 2HB ASN 23 5.645 5.949 -10.714 652 2HB ASN 23 1HB ASN 23 4.331 4.826 -10.904 653 1HD2 ASN 23 1HD2 ASN 23 2.739 6.383 -11.399 654 2HD2 ASN 23 2HD2 ASN 23 2.218 7.550 -10.286 655 H SER 24 H SER 24 5.485 6.270 -7.064 656 HA SER 24 HA SER 24 4.073 4.781 -5.123 657 1HB SER 24 2HB SER 24 3.772 7.036 -3.995 658 2HB SER 24 1HB SER 24 5.433 6.585 -4.365 659 HG SER 24 HG SER 24 5.502 8.361 -5.463 660 H LEU 25 H LEU 25 3.027 7.185 -7.471 661 HA LEU 25 HA LEU 25 0.286 7.201 -6.709 662 1HB LEU 25 2HB LEU 25 1.921 8.548 -8.642 663 2HB LEU 25 1HB LEU 25 0.508 7.906 -9.429 664 HG LEU 25 HG LEU 25 0.513 9.629 -6.989 665 1HD1 LEU 25 1HD1 LEU 25 -0.563 10.276 -9.737 666 2HD1 LEU 25 2HD1 LEU 25 1.067 10.717 -9.235 667 3HD1 LEU 25 3HD1 LEU 25 -0.327 11.383 -8.385 668 1HD2 LEU 25 1HD2 LEU 25 -2.044 9.578 -7.946 669 2HD2 LEU 25 2HD2 LEU 25 -1.444 8.544 -6.649 670 3HD2 LEU 25 3HD2 LEU 25 -1.492 7.941 -8.305 671 H GLN 26 H GLN 26 2.247 5.363 -9.028 672 HA GLN 26 HA GLN 26 0.085 4.055 -10.345 673 1HB GLN 26 2HB GLN 26 2.993 3.546 -10.023 674 2HB GLN 26 1HB GLN 26 1.996 2.174 -10.474 675 1HG GLN 26 2HG GLN 26 1.163 3.378 -12.434 676 2HG GLN 26 1HG GLN 26 2.088 4.810 -11.975 677 1HE2 GLN 26 1HE2 GLN 26 3.923 2.149 -11.080 678 2HE2 GLN 26 2HE2 GLN 26 4.882 2.027 -12.473 679 H VAL 27 H VAL 27 1.975 3.432 -7.508 680 HA VAL 27 HA VAL 27 0.992 0.876 -6.902 681 HB VAL 27 HB VAL 27 2.411 2.998 -5.311 682 1HG1 VAL 27 1HG1 VAL 27 1.065 0.540 -4.328 683 2HG1 VAL 27 2HG1 VAL 27 1.536 1.995 -3.456 684 3HG1 VAL 27 3HG1 VAL 27 2.737 0.757 -3.813 685 1HG2 VAL 27 1HG2 VAL 27 3.792 0.528 -5.494 686 2HG2 VAL 27 2HG2 VAL 27 4.162 2.022 -6.351 687 3HG2 VAL 27 3HG2 VAL 27 3.096 0.825 -7.086 688 H VAL 28 H VAL 28 0.027 4.114 -5.937 689 HA VAL 28 HA VAL 28 -2.055 3.394 -4.196 690 HB VAL 28 HB VAL 28 -1.768 5.830 -5.984 691 1HG1 VAL 28 1HG1 VAL 28 -3.790 6.455 -5.230 692 2HG1 VAL 28 2HG1 VAL 28 -3.247 6.275 -3.560 693 3HG1 VAL 28 3HG1 VAL 28 -3.941 4.901 -4.415 694 1HG2 VAL 28 1HG2 VAL 28 -0.223 5.019 -3.767 695 2HG2 VAL 28 2HG2 VAL 28 -1.347 6.215 -3.122 696 3HG2 VAL 28 3HG2 VAL 28 -0.286 6.636 -4.469 697 H ALA 29 H ALA 29 -1.757 3.611 -7.684 698 HA ALA 29 HA ALA 29 -4.456 3.534 -8.446 699 1HB ALA 29 1HB ALA 29 -2.045 3.655 -9.757 700 2HB ALA 29 2HB ALA 29 -3.596 3.376 -10.552 701 3HB ALA 29 3HB ALA 29 -2.561 2.008 -10.133 702 H PHE 30 H PHE 30 -2.092 0.943 -7.802 703 HA PHE 30 HA PHE 30 -3.921 -1.165 -8.290 704 1HB PHE 30 2HB PHE 30 -1.211 -1.029 -6.925 705 2HB PHE 30 1HB PHE 30 -2.062 -2.513 -7.342 706 HD1 PHE 30 1HD PHE 30 0.445 -0.388 -8.446 707 HD2 PHE 30 2HD PHE 30 -3.060 -2.407 -9.956 708 HE1 PHE 30 1HE PHE 30 1.288 -0.162 -10.728 709 HE2 PHE 30 2HE PHE 30 -2.179 -2.162 -12.241 710 HZ PHE 30 HZ PHE 30 -0.018 -1.053 -12.636 711 H ILE 31 H ILE 31 -2.666 0.477 -5.370 712 HA ILE 31 HA ILE 31 -3.946 -1.169 -3.473 713 HB ILE 31 HB ILE 31 -3.320 1.794 -3.286 714 1HG1 ILE 31 2HG1 ILE 31 -1.738 -0.499 -2.092 715 2HG1 ILE 31 1HG1 ILE 31 -1.402 0.085 -3.716 716 1HG2 ILE 31 1HG2 ILE 31 -3.946 -0.275 -1.156 717 2HG2 ILE 31 2HG2 ILE 31 -4.944 1.114 -1.579 718 3HG2 ILE 31 3HG2 ILE 31 -3.371 1.356 -0.823 719 1HD1 ILE 31 1HD1 ILE 31 -0.850 2.268 -2.927 720 2HD1 ILE 31 2HD1 ILE 31 -0.015 1.156 -1.836 721 3HD1 ILE 31 3HD1 ILE 31 -1.518 1.936 -1.328 722 H ASN 32 H ASN 32 -5.029 1.713 -5.187 723 HA ASN 32 HA ASN 32 -7.580 1.982 -3.998 724 1HB ASN 32 2HB ASN 32 -6.402 2.812 -6.637 725 2HB ASN 32 1HB ASN 32 -8.142 2.929 -6.410 726 1HD2 ASN 32 1HD2 ASN 32 -5.523 4.851 -6.310 727 2HD2 ASN 32 2HD2 ASN 32 -5.962 5.908 -5.057 728 H SER 33 H SER 33 -6.355 -0.151 -6.546 729 HA SER 33 HA SER 33 -8.962 -1.046 -7.293 730 1HB SER 33 2HB SER 33 -6.192 -1.678 -8.164 731 2HB SER 33 1HB SER 33 -7.504 -2.790 -8.567 732 HG SER 33 HG SER 33 -8.579 -0.676 -9.226 733 H LEU 34 H LEU 34 -6.488 -1.956 -5.004 734 HA LEU 34 HA LEU 34 -7.414 -4.609 -4.426 735 1HB LEU 34 2HB LEU 34 -6.159 -2.595 -2.504 736 2HB LEU 34 1HB LEU 34 -6.262 -4.330 -2.256 737 HG LEU 34 HG LEU 34 -4.743 -3.013 -4.514 738 1HD1 LEU 34 1HD1 LEU 34 -3.519 -4.506 -2.226 739 2HD1 LEU 34 2HD1 LEU 34 -3.788 -2.760 -2.154 740 3HD1 LEU 34 3HD1 LEU 34 -2.738 -3.435 -3.388 741 1HD2 LEU 34 1HD2 LEU 34 -5.004 -5.836 -3.581 742 2HD2 LEU 34 2HD2 LEU 34 -3.796 -5.307 -4.745 743 3HD2 LEU 34 3HD2 LEU 34 -5.504 -5.168 -5.114 744 H ARG 35 H ARG 35 -8.066 -1.387 -3.384 745 HA ARG 35 HA ARG 35 -10.142 -1.742 -1.478 746 1HB ARG 35 2HB ARG 35 -8.789 0.385 -2.756 747 2HB ARG 35 1HB ARG 35 -10.479 0.608 -3.172 748 1HG ARG 35 2HG ARG 35 -11.004 1.297 -1.090 749 2HG ARG 35 1HG ARG 35 -10.125 -0.025 -0.333 750 1HD ARG 35 2HD ARG 35 -8.043 1.469 -1.237 751 2HD ARG 35 1HD ARG 35 -9.235 2.737 -0.962 752 HE ARG 35 HE ARG 35 -7.866 1.189 1.048 753 1HH1 ARG 35 1HH1 ARG 35 -10.671 0.667 1.783 754 2HH1 ARG 35 2HH1 ARG 35 -11.093 2.037 2.754 755 1HH2 ARG 35 1HH2 ARG 35 -8.436 3.965 1.648 756 2HH2 ARG 35 2HH2 ARG 35 -9.826 3.905 2.678 757 H ASP 36 H ASP 36 -10.217 -1.140 -4.961 758 HA ASP 36 HA ASP 36 -13.007 -1.124 -5.315 759 1HB ASP 36 2HB ASP 36 -10.758 -1.829 -7.214 760 2HB ASP 36 1HB ASP 36 -12.427 -1.575 -7.713 761 H ASP 37 H ASP 37 -10.636 -3.740 -5.444 762 HA ASP 37 HA ASP 37 -12.784 -5.708 -5.136 763 1HB ASP 37 2HB ASP 37 -10.705 -6.176 -7.270 764 2HB ASP 37 1HB ASP 37 -12.237 -7.004 -7.019 765 HA PRO 38 HA PRO 38 -9.343 -6.745 -2.400 766 1HB PRO 38 2HB PRO 38 -11.224 -8.259 -0.864 767 2HB PRO 38 1HB PRO 38 -10.401 -6.763 -0.432 768 1HG PRO 38 2HG PRO 38 -13.118 -7.087 -0.994 769 2HG PRO 38 1HG PRO 38 -12.245 -5.561 -0.813 770 1HD PRO 38 2HD PRO 38 -13.240 -6.841 -3.252 771 2HD PRO 38 1HD PRO 38 -12.694 -5.170 -2.999 772 H SER 39 H SER 39 -11.872 -8.803 -3.723 773 HA SER 39 HA SER 39 -10.597 -11.304 -3.294 774 1HB SER 39 2HB SER 39 -12.652 -10.483 -5.364 775 2HB SER 39 1HB SER 39 -12.195 -12.143 -4.990 776 HG SER 39 HG SER 39 -12.987 -11.855 -2.918 777 H GLN 40 H GLN 40 -10.570 -8.898 -5.876 778 HA GLN 40 HA GLN 40 -8.619 -10.463 -7.364 779 1HB GLN 40 2HB GLN 40 -9.461 -7.862 -8.459 780 2HB GLN 40 1HB GLN 40 -9.208 -9.392 -9.249 781 1HG GLN 40 2HG GLN 40 -11.596 -8.875 -7.486 782 2HG GLN 40 1HG GLN 40 -11.614 -8.670 -9.232 783 1HE2 GLN 40 1HE2 GLN 40 -12.819 -10.774 -7.186 784 2HE2 GLN 40 2HE2 GLN 40 -12.481 -12.251 -7.948 785 H SER 41 H SER 41 -8.116 -9.011 -4.753 786 HA SER 41 HA SER 41 -6.553 -6.737 -5.198 787 1HB SER 41 2HB SER 41 -6.476 -8.961 -3.165 788 2HB SER 41 1HB SER 41 -5.236 -7.720 -3.152 789 HG SER 41 HG SER 41 -7.077 -6.204 -3.181 790 H ALA 42 H ALA 42 -5.972 -10.097 -5.696 791 HA ALA 42 HA ALA 42 -3.154 -9.998 -6.159 792 1HB ALA 42 1HB ALA 42 -3.409 -12.279 -6.784 793 2HB ALA 42 2HB ALA 42 -5.119 -12.051 -7.171 794 3HB ALA 42 3HB ALA 42 -4.577 -12.003 -5.489 795 H ASN 43 H ASN 43 -6.016 -9.446 -8.055 796 HA ASN 43 HA ASN 43 -5.007 -9.900 -10.640 797 1HB ASN 43 2HB ASN 43 -7.371 -9.804 -9.838 798 2HB ASN 43 1HB ASN 43 -7.210 -8.047 -9.922 799 1HD2 ASN 43 1HD2 ASN 43 -6.297 -7.266 -12.172 800 2HD2 ASN 43 2HD2 ASN 43 -6.909 -8.061 -13.541 801 H LEU 44 H LEU 44 -5.694 -6.850 -8.944 802 HA LEU 44 HA LEU 44 -4.433 -5.366 -10.982 803 1HB LEU 44 2HB LEU 44 -4.902 -3.364 -9.706 804 2HB LEU 44 1HB LEU 44 -6.315 -4.394 -9.734 805 HG LEU 44 HG LEU 44 -5.870 -3.338 -7.546 806 1HD1 LEU 44 1HD1 LEU 44 -5.628 -6.183 -7.011 807 2HD1 LEU 44 2HD1 LEU 44 -6.915 -5.699 -8.107 808 3HD1 LEU 44 3HD1 LEU 44 -6.829 -4.999 -6.497 809 1HD2 LEU 44 1HD2 LEU 44 -4.013 -3.589 -6.361 810 2HD2 LEU 44 2HD2 LEU 44 -3.304 -3.864 -7.935 811 3HD2 LEU 44 3HD2 LEU 44 -3.755 -5.236 -6.913 812 H LEU 45 H LEU 45 -3.536 -6.933 -8.100 813 HA LEU 45 HA LEU 45 -0.994 -5.705 -7.676 814 1HB LEU 45 2HB LEU 45 -1.777 -7.000 -5.857 815 2HB LEU 45 1HB LEU 45 -2.288 -8.311 -6.906 816 HG LEU 45 HG LEU 45 0.030 -8.926 -7.347 817 1HD1 LEU 45 1HD1 LEU 45 1.049 -6.711 -7.271 818 2HD1 LEU 45 2HD1 LEU 45 1.859 -7.761 -6.126 819 3HD1 LEU 45 3HD1 LEU 45 0.691 -6.573 -5.555 820 1HD2 LEU 45 1HD2 LEU 45 -0.043 -10.176 -5.479 821 2HD2 LEU 45 2HD2 LEU 45 -1.299 -9.116 -4.843 822 3HD2 LEU 45 3HD2 LEU 45 0.389 -8.792 -4.482 823 H ALA 46 H ALA 46 -2.389 -8.230 -9.557 824 HA ALA 46 HA ALA 46 -0.042 -9.324 -10.704 825 1HB ALA 46 1HB ALA 46 -2.207 -9.460 -12.574 826 2HB ALA 46 2HB ALA 46 -2.890 -9.684 -10.966 827 3HB ALA 46 3HB ALA 46 -1.601 -10.747 -11.533 828 H GLU 47 H GLU 47 -2.282 -6.771 -11.535 829 HA GLU 47 HA GLU 47 -1.150 -5.929 -13.973 830 1HB GLU 47 2HB GLU 47 -2.771 -4.388 -11.922 831 2HB GLU 47 1HB GLU 47 -2.370 -3.802 -13.532 832 1HG GLU 47 2HG GLU 47 -4.109 -6.139 -12.780 833 2HG GLU 47 1HG GLU 47 -4.583 -4.676 -13.614 834 H ALA 48 H ALA 48 -0.451 -5.313 -10.612 835 HA ALA 48 HA ALA 48 1.155 -3.001 -10.995 836 1HB ALA 48 1HB ALA 48 1.642 -4.624 -8.623 837 2HB ALA 48 2HB ALA 48 -0.067 -4.296 -8.895 838 3HB ALA 48 3HB ALA 48 1.079 -2.963 -8.751 839 H LYS 49 H LYS 49 1.829 -6.404 -10.331 840 HA LYS 49 HA LYS 49 4.651 -6.076 -10.414 841 1HB LYS 49 2HB LYS 49 4.720 -8.526 -10.499 842 2HB LYS 49 1HB LYS 49 3.571 -7.949 -9.288 843 1HG LYS 49 2HG LYS 49 1.736 -8.310 -10.777 844 2HG LYS 49 1HG LYS 49 2.816 -8.806 -12.071 845 1HD LYS 49 2HD LYS 49 2.051 -10.857 -11.157 846 2HD LYS 49 1HD LYS 49 3.640 -10.629 -10.429 847 1HE LYS 49 2HE LYS 49 2.239 -9.392 -8.538 848 2HE LYS 49 1HE LYS 49 0.923 -10.376 -9.175 849 1HZ LYS 49 1HZ LYS 49 2.539 -11.262 -7.321 850 2HZ LYS 49 2HZ LYS 49 3.483 -11.690 -8.667 851 3HZ LYS 49 3HZ LYS 49 1.903 -12.293 -8.510 852 H LYS 50 H LYS 50 2.132 -6.524 -12.756 853 HA LYS 50 HA LYS 50 3.786 -7.100 -15.024 854 1HB LYS 50 2HB LYS 50 0.993 -6.080 -14.661 855 2HB LYS 50 1HB LYS 50 1.745 -6.126 -16.249 856 1HG LYS 50 2HG LYS 50 1.950 -8.488 -16.218 857 2HG LYS 50 1HG LYS 50 1.688 -8.575 -14.479 858 1HD LYS 50 2HD LYS 50 -0.318 -9.312 -15.747 859 2HD LYS 50 1HD LYS 50 -0.657 -7.885 -14.775 860 1HE LYS 50 2HE LYS 50 -0.471 -6.442 -16.717 861 2HE LYS 50 1HE LYS 50 0.078 -7.788 -17.716 862 1HZ LYS 50 1HZ LYS 50 -2.327 -7.214 -17.932 863 2HZ LYS 50 2HZ LYS 50 -2.546 -7.745 -16.333 864 3HZ LYS 50 3HZ LYS 50 -2.022 -8.833 -17.530 865 H LEU 51 H LEU 51 2.464 -4.189 -13.501 866 HA LEU 51 HA LEU 51 3.477 -2.373 -15.473 867 1HB LEU 51 2HB LEU 51 2.020 -2.188 -12.954 868 2HB LEU 51 1HB LEU 51 3.273 -0.957 -13.070 869 HG LEU 51 HG LEU 51 1.069 -0.275 -14.051 870 1HD1 LEU 51 1HD1 LEU 51 2.287 0.347 -16.338 871 2HD1 LEU 51 2HD1 LEU 51 3.697 -0.297 -15.487 872 3HD1 LEU 51 3HD1 LEU 51 2.789 1.063 -14.803 873 1HD2 LEU 51 1HD2 LEU 51 0.047 -1.548 -15.634 874 2HD2 LEU 51 2HD2 LEU 51 1.193 -2.820 -15.203 875 3HD2 LEU 51 3HD2 LEU 51 1.545 -1.736 -16.551 876 H ASN 52 H ASN 52 4.557 -3.628 -12.442 877 HA ASN 52 HA ASN 52 6.910 -2.138 -12.086 878 1HB ASN 52 2HB ASN 52 6.167 -3.485 -10.289 879 2HB ASN 52 1HB ASN 52 5.987 -4.897 -11.307 880 1HD2 ASN 52 1HD2 ASN 52 8.286 -2.938 -9.583 881 2HD2 ASN 52 2HD2 ASN 52 9.594 -4.003 -9.723 882 H ASP 53 H ASP 53 6.056 -5.107 -13.634 883 HA ASP 53 HA ASP 53 8.619 -5.774 -14.700 884 1HB ASP 53 2HB ASP 53 6.690 -7.373 -14.564 885 2HB ASP 53 1HB ASP 53 5.934 -6.496 -15.893 886 H ALA 54 H ALA 54 5.942 -3.833 -15.851 887 HA ALA 54 HA ALA 54 6.793 -3.400 -18.499 888 1HB ALA 54 1HB ALA 54 5.271 -1.351 -16.927 889 2HB ALA 54 2HB ALA 54 4.527 -2.903 -17.318 890 3HB ALA 54 3HB ALA 54 5.074 -1.836 -18.612 891 H GLN 55 H GLN 55 7.442 -1.723 -15.458 892 HA GLN 55 HA GLN 55 9.100 0.284 -16.767 893 1HB GLN 55 2HB GLN 55 8.336 -0.218 -13.932 894 2HB GLN 55 1HB GLN 55 9.366 1.109 -14.434 895 1HG GLN 55 2HG GLN 55 7.633 2.201 -15.538 896 2HG GLN 55 1HG GLN 55 6.727 0.709 -15.794 897 1HE2 GLN 55 1HE2 GLN 55 6.111 -0.384 -13.548 898 2HE2 GLN 55 2HE2 GLN 55 5.452 0.682 -12.406 899 H ALA 56 H ALA 56 9.475 -2.832 -15.523 900 HA ALA 56 HA ALA 56 12.106 -2.620 -14.409 901 1HB ALA 56 1HB ALA 56 11.027 -5.136 -15.655 902 2HB ALA 56 2HB ALA 56 10.379 -4.546 -14.127 903 3HB ALA 56 3HB ALA 56 12.084 -4.960 -14.258 904 HA PRO 57 HA PRO 57 14.524 -2.831 -18.050 905 1HB PRO 57 2HB PRO 57 16.603 -4.431 -16.858 906 2HB PRO 57 1HB PRO 57 16.535 -2.670 -17.009 907 1HG PRO 57 2HG PRO 57 16.431 -4.015 -14.638 908 2HG PRO 57 1HG PRO 57 15.774 -2.391 -14.903 909 1HD PRO 57 2HD PRO 57 14.332 -5.028 -14.922 910 2HD PRO 57 1HD PRO 57 13.847 -3.487 -14.171 911 H LYS 58 H LYS 58 15.564 -4.266 -19.610 912 HA LYS 58 HA LYS 58 14.782 -7.082 -19.502 913 1HB LYS 58 2HB LYS 58 13.940 -5.043 -21.485 914 2HB LYS 58 1HB LYS 58 14.159 -6.697 -22.005 915 1HG LYS 58 2HG LYS 58 11.993 -6.966 -21.330 916 2HG LYS 58 1HG LYS 58 12.690 -7.059 -19.714 917 1HD LYS 58 2HD LYS 58 12.513 -4.379 -19.915 918 2HD LYS 58 1HD LYS 58 11.212 -4.812 -21.021 919 1HE LYS 58 2HE LYS 58 11.459 -5.842 -18.176 920 2HE LYS 58 1HE LYS 58 10.427 -4.503 -18.671 921 1HZ LYS 58 1HZ LYS 58 9.173 -6.546 -18.585 922 2HZ LYS 58 2HZ LYS 58 10.255 -7.297 -19.659 923 3HZ LYS 58 3HZ LYS 58 9.282 -6.008 -20.190 Start of MODEL 25 1 1H VAL 1 1HT VAL 1 10.666 -18.113 4.567 2 2H VAL 1 2HT VAL 1 11.577 -17.625 3.220 3 3H VAL 1 3HT VAL 1 9.889 -17.434 3.222 4 HA VAL 1 HA VAL 1 11.628 -16.096 5.206 5 HB VAL 1 HB VAL 1 11.344 -14.052 3.731 6 1HG1 VAL 1 1HG1 VAL 1 12.892 -16.351 2.490 7 2HG1 VAL 1 2HG1 VAL 1 13.459 -15.369 3.841 8 3HG1 VAL 1 3HG1 VAL 1 13.206 -14.632 2.260 9 1HG2 VAL 1 1HG2 VAL 1 9.483 -14.926 2.340 10 2HG2 VAL 1 2HG2 VAL 1 10.563 -16.145 1.664 11 3HG2 VAL 1 3HG2 VAL 1 10.851 -14.436 1.343 12 H ASP 2 H ASP 2 10.495 -14.525 6.394 13 HA ASP 2 HA ASP 2 7.701 -15.084 6.786 14 1HB ASP 2 2HB ASP 2 9.453 -12.914 7.973 15 2HB ASP 2 1HB ASP 2 7.845 -13.362 8.539 16 H ASN 3 H ASN 3 5.983 -14.049 5.992 17 HA ASN 3 HA ASN 3 6.377 -11.898 4.063 18 1HB ASN 3 2HB ASN 3 4.059 -12.261 3.472 19 2HB ASN 3 1HB ASN 3 4.854 -13.828 3.600 20 1HD2 ASN 3 1HD2 ASN 3 4.456 -15.076 5.652 21 2HD2 ASN 3 2HD2 ASN 3 3.020 -14.807 6.517 22 H LYS 4 H LYS 4 6.286 -11.866 7.282 23 HA LYS 4 HA LYS 4 4.244 -10.155 8.100 24 1HB LYS 4 2HB LYS 4 5.752 -11.337 9.638 25 2HB LYS 4 1HB LYS 4 7.097 -10.333 9.107 26 1HG LYS 4 2HG LYS 4 5.122 -8.478 9.828 27 2HG LYS 4 1HG LYS 4 4.990 -9.740 11.047 28 1HD LYS 4 2HD LYS 4 6.632 -8.309 11.942 29 2HD LYS 4 1HD LYS 4 7.573 -9.597 11.191 30 1HE LYS 4 2HE LYS 4 8.480 -7.350 10.637 31 2HE LYS 4 1HE LYS 4 7.938 -8.209 9.198 32 1HZ LYS 4 1HZ LYS 4 6.104 -6.397 10.627 33 2HZ LYS 4 2HZ LYS 4 6.079 -6.881 8.999 34 3HZ LYS 4 3HZ LYS 4 7.243 -5.768 9.538 35 H PHE 5 H PHE 5 7.478 -9.362 6.842 36 HA PHE 5 HA PHE 5 7.383 -6.576 7.118 37 1HB PHE 5 2HB PHE 5 9.132 -8.466 6.073 38 2HB PHE 5 1HB PHE 5 8.717 -7.457 4.700 39 HD1 PHE 5 1HD PHE 5 9.593 -5.214 4.465 40 HD2 PHE 5 2HD PHE 5 10.040 -7.419 8.158 41 HE1 PHE 5 1HE PHE 5 11.233 -3.542 5.308 42 HE2 PHE 5 2HE PHE 5 11.652 -5.730 8.974 43 HZ PHE 5 HZ PHE 5 12.251 -3.806 7.547 44 H ASN 6 H ASN 6 6.627 -8.633 4.317 45 HA ASN 6 HA ASN 6 5.822 -6.573 2.574 46 1HB ASN 6 2HB ASN 6 6.455 -8.881 1.941 47 2HB ASN 6 1HB ASN 6 4.953 -9.461 2.643 48 1HD2 ASN 6 1HD2 ASN 6 4.165 -10.216 0.554 49 2HD2 ASN 6 2HD2 ASN 6 3.680 -9.124 -0.658 50 H LYS 7 H LYS 7 4.008 -8.716 4.737 51 HA LYS 7 HA LYS 7 1.434 -7.782 4.087 52 1HB LYS 7 2HB LYS 7 2.076 -9.877 5.417 53 2HB LYS 7 1HB LYS 7 2.317 -8.810 6.799 54 1HG LYS 7 2HG LYS 7 0.015 -8.127 6.781 55 2HG LYS 7 1HG LYS 7 -0.262 -8.885 5.213 56 1HD LYS 7 2HD LYS 7 0.739 -10.653 7.395 57 2HD LYS 7 1HD LYS 7 -0.927 -10.090 7.528 58 1HE LYS 7 2HE LYS 7 -1.383 -10.927 5.233 59 2HE LYS 7 1HE LYS 7 0.280 -11.507 5.138 60 1HZ LYS 7 1HZ LYS 7 -1.567 -12.344 7.289 61 2HZ LYS 7 2HZ LYS 7 -0.091 -13.054 6.838 62 3HZ LYS 7 3HZ LYS 7 -1.445 -13.181 5.820 63 H GLU 8 H GLU 8 3.866 -6.834 6.449 64 HA GLU 8 HA GLU 8 2.353 -4.806 7.701 65 1HB GLU 8 2HB GLU 8 4.249 -5.803 8.792 66 2HB GLU 8 1HB GLU 8 5.341 -5.287 7.498 67 1HG GLU 8 2HG GLU 8 4.643 -2.882 8.114 68 2HG GLU 8 1HG GLU 8 3.904 -3.568 9.556 69 H LEU 9 H LEU 9 4.740 -4.747 5.159 70 HA LEU 9 HA LEU 9 4.875 -1.955 4.662 71 1HB LEU 9 2HB LEU 9 6.514 -3.523 3.769 72 2HB LEU 9 1HB LEU 9 5.265 -4.374 2.858 73 HG LEU 9 HG LEU 9 4.811 -2.158 1.679 74 1HD1 LEU 9 1HD1 LEU 9 5.989 -0.325 2.119 75 2HD1 LEU 9 2HD1 LEU 9 7.508 -1.173 2.036 76 3HD1 LEU 9 3HD1 LEU 9 6.617 -1.117 3.564 77 1HD2 LEU 9 1HD2 LEU 9 7.416 -3.636 1.436 78 2HD2 LEU 9 2HD2 LEU 9 6.906 -2.384 0.283 79 3HD2 LEU 9 3HD2 LEU 9 5.930 -3.837 0.494 80 H GLY 10 H GLY 10 2.761 -4.514 3.499 81 1HA GLY 10 2HA GLY 10 1.285 -2.812 1.779 82 2HA GLY 10 1HA GLY 10 0.856 -4.442 2.265 83 H TRP 11 H TRP 11 0.997 -4.017 5.094 84 HA TRP 11 HA TRP 11 -1.593 -3.056 5.375 85 1HB TRP 11 2HB TRP 11 -0.276 -4.783 6.880 86 2HB TRP 11 1HB TRP 11 -0.079 -3.329 7.859 87 HD1 TRP 11 HD TRP 11 -1.837 -3.918 9.673 88 HE1 TRP 11 1HE TRP 11 -4.408 -4.113 9.688 89 HE3 TRP 11 3HE TRP 11 -2.861 -3.873 4.630 90 HZ2 TRP 11 2HZ TRP 11 -6.589 -4.163 7.856 91 HZ3 TRP 11 3HZ TRP 11 -5.134 -3.942 3.805 92 HH2 TRP 11 HH TRP 11 -7.041 -4.109 5.413 93 H ALA 12 H ALA 12 1.396 -1.673 6.551 94 HA ALA 12 HA ALA 12 0.190 0.516 7.743 95 1HB ALA 12 1HB ALA 12 2.862 -0.286 6.973 96 2HB ALA 12 2HB ALA 12 2.361 0.768 8.290 97 3HB ALA 12 3HB ALA 12 2.634 1.439 6.680 98 H THR 13 H THR 13 1.108 -0.132 4.398 99 HA THR 13 HA THR 13 0.674 2.361 3.194 100 HB THR 13 HB THR 13 0.480 -0.488 2.322 101 HG1 THR 13 1HG THR 13 2.493 0.132 2.331 102 1HG2 THR 13 1HG2 THR 13 -1.197 0.483 0.940 103 2HG2 THR 13 2HG2 THR 13 0.278 0.457 -0.030 104 3HG2 THR 13 3HG2 THR 13 -0.254 1.962 0.722 105 H TRP 14 H TRP 14 -1.574 -0.313 3.772 106 HA TRP 14 HA TRP 14 -3.896 0.830 2.655 107 1HB TRP 14 2HB TRP 14 -3.392 -1.570 3.393 108 2HB TRP 14 1HB TRP 14 -3.808 -1.047 5.006 109 HD1 TRP 14 HD TRP 14 -6.248 -1.039 5.646 110 HE1 TRP 14 1HE TRP 14 -8.458 -1.506 4.439 111 HE3 TRP 14 3HE TRP 14 -4.635 -1.073 0.757 112 HZ2 TRP 14 2HZ TRP 14 -9.423 -1.852 1.801 113 HZ3 TRP 14 3HZ TRP 14 -6.252 -1.484 -1.030 114 HH2 TRP 14 HH TRP 14 -8.604 -1.880 -0.523 115 H GLU 15 H GLU 15 -2.684 0.764 5.976 116 HA GLU 15 HA GLU 15 -4.862 2.057 7.204 117 1HB GLU 15 2HB GLU 15 -1.954 1.834 8.014 118 2HB GLU 15 1HB GLU 15 -3.253 2.380 9.078 119 1HG GLU 15 2HG GLU 15 -4.380 0.250 8.936 120 2HG GLU 15 1HG GLU 15 -3.319 -0.301 7.641 121 H ILE 16 H ILE 16 -1.828 3.337 5.859 122 HA ILE 16 HA ILE 16 -2.244 6.078 6.609 123 HB ILE 16 HB ILE 16 -0.652 4.833 4.314 124 1HG1 ILE 16 2HG1 ILE 16 0.398 5.913 6.927 125 2HG1 ILE 16 1HG1 ILE 16 0.007 4.225 6.712 126 1HG2 ILE 16 1HG2 ILE 16 0.622 7.151 4.805 127 2HG2 ILE 16 2HG2 ILE 16 -1.015 7.644 5.220 128 3HG2 ILE 16 3HG2 ILE 16 -0.665 7.014 3.613 129 1HD1 ILE 16 1HD1 ILE 16 2.459 5.364 6.145 130 2HD1 ILE 16 2HD1 ILE 16 1.690 5.332 4.552 131 3HD1 ILE 16 3HD1 ILE 16 1.880 3.840 5.480 132 H PHE 17 H PHE 17 -2.949 4.106 3.807 133 HA PHE 17 HA PHE 17 -3.936 5.965 1.965 134 1HB PHE 17 2HB PHE 17 -3.398 3.410 1.869 135 2HB PHE 17 1HB PHE 17 -5.079 3.222 2.301 136 HD1 PHE 17 1HD PHE 17 -2.690 4.161 -0.255 137 HD2 PHE 17 2HD PHE 17 -6.853 4.013 0.760 138 HE1 PHE 17 1HE PHE 17 -3.256 4.337 -2.643 139 HE2 PHE 17 2HE PHE 17 -7.461 4.163 -1.630 140 HZ PHE 17 HZ PHE 17 -5.629 4.332 -3.342 141 H ASN 18 H ASN 18 -5.560 4.118 4.498 142 HA ASN 18 HA ASN 18 -8.162 5.233 3.862 143 1HB ASN 18 2HB ASN 18 -7.284 3.283 5.998 144 2HB ASN 18 1HB ASN 18 -8.954 3.722 5.650 145 1HD2 ASN 18 1HD2 ASN 18 -8.187 1.033 5.377 146 2HD2 ASN 18 2HD2 ASN 18 -8.165 0.616 3.733 147 H LEU 19 H LEU 19 -5.681 6.651 5.464 148 HA LEU 19 HA LEU 19 -6.938 7.391 7.897 149 1HB LEU 19 2HB LEU 19 -4.542 8.245 6.426 150 2HB LEU 19 1HB LEU 19 -5.249 9.483 7.450 151 HG LEU 19 HG LEU 19 -4.478 6.685 8.364 152 1HD1 LEU 19 1HD1 LEU 19 -3.080 8.682 9.737 153 2HD1 LEU 19 2HD1 LEU 19 -3.017 9.140 8.051 154 3HD1 LEU 19 3HD1 LEU 19 -2.431 7.557 8.555 155 1HD2 LEU 19 1HD2 LEU 19 -4.768 8.673 10.448 156 2HD2 LEU 19 2HD2 LEU 19 -5.584 7.113 10.274 157 3HD2 LEU 19 3HD2 LEU 19 -6.263 8.548 9.525 158 HA PRO 20 HA PRO 20 -9.838 10.181 6.035 159 1HB PRO 20 2HB PRO 20 -10.575 11.203 8.638 160 2HB PRO 20 1HB PRO 20 -11.432 10.026 7.632 161 1HG PRO 20 2HG PRO 20 -10.255 9.449 10.016 162 2HG PRO 20 1HG PRO 20 -10.515 8.262 8.725 163 1HD PRO 20 2HD PRO 20 -8.018 9.776 9.413 164 2HD PRO 20 1HD PRO 20 -8.210 8.068 8.980 165 H ASN 21 H ASN 21 -6.905 11.388 6.930 166 HA ASN 21 HA ASN 21 -7.914 14.147 6.469 167 1HB ASN 21 2HB ASN 21 -6.166 13.432 8.814 168 2HB ASN 21 1HB ASN 21 -6.575 15.064 8.318 169 1HD2 ASN 21 1HD2 ASN 21 -7.793 12.190 9.924 170 2HD2 ASN 21 2HD2 ASN 21 -9.280 12.861 10.391 171 H LEU 22 H LEU 22 -5.661 11.832 5.675 172 HA LEU 22 HA LEU 22 -3.433 13.614 5.200 173 1HB LEU 22 2HB LEU 22 -3.944 10.805 4.228 174 2HB LEU 22 1HB LEU 22 -2.425 11.687 4.051 175 HG LEU 22 HG LEU 22 -3.767 10.998 6.682 176 1HD1 LEU 22 1HD1 LEU 22 -2.833 9.010 6.007 177 2HD1 LEU 22 2HD1 LEU 22 -1.451 9.750 6.811 178 3HD1 LEU 22 3HD1 LEU 22 -1.574 9.786 5.055 179 1HD2 LEU 22 1HD2 LEU 22 -1.338 11.701 7.420 180 2HD2 LEU 22 2HD2 LEU 22 -2.571 12.940 7.181 181 3HD2 LEU 22 3HD2 LEU 22 -1.364 12.628 5.923 182 H ASN 23 H ASN 23 -2.583 14.242 3.211 183 HA ASN 23 HA ASN 23 -4.635 14.658 1.157 184 1HB ASN 23 2HB ASN 23 -3.505 16.553 0.571 185 2HB ASN 23 1HB ASN 23 -2.855 16.407 2.197 186 1HD2 ASN 23 1HD2 ASN 23 -0.580 16.093 2.386 187 2HD2 ASN 23 2HD2 ASN 23 0.443 15.874 1.046 188 H GLY 24 H GLY 24 -4.145 14.189 -1.091 189 1HA GLY 24 2HA GLY 24 -3.442 11.605 -1.638 190 2HA GLY 24 1HA GLY 24 -3.324 12.898 -2.824 191 H VAL 25 H VAL 25 -1.252 14.410 -1.748 192 HA VAL 25 HA VAL 25 1.031 12.960 -2.626 193 HB VAL 25 HB VAL 25 0.857 15.594 -1.157 194 1HG1 VAL 25 1HG1 VAL 25 3.119 14.099 -2.478 195 2HG1 VAL 25 2HG1 VAL 25 3.095 14.884 -0.897 196 3HG1 VAL 25 3HG1 VAL 25 3.144 15.859 -2.366 197 1HG2 VAL 25 1HG2 VAL 25 0.827 14.743 -4.051 198 2HG2 VAL 25 2HG2 VAL 25 1.362 16.363 -3.587 199 3HG2 VAL 25 3HG2 VAL 25 -0.279 15.836 -3.214 200 H GLN 26 H GLN 26 -0.064 13.963 0.659 201 HA GLN 26 HA GLN 26 2.229 12.976 1.964 202 1HB GLN 26 2HB GLN 26 -0.438 13.884 2.765 203 2HB GLN 26 1HB GLN 26 0.248 12.660 3.833 204 1HG GLN 26 2HG GLN 26 2.067 13.985 4.435 205 2HG GLN 26 1HG GLN 26 2.014 14.919 2.935 206 1HE2 GLN 26 1HE2 GLN 26 -0.235 14.246 5.641 207 2HE2 GLN 26 2HE2 GLN 26 -0.708 15.861 5.846 208 H VAL 27 H VAL 27 -0.856 11.422 1.159 209 HA VAL 27 HA VAL 27 -0.281 8.930 2.393 210 HB VAL 27 HB VAL 27 -2.009 9.517 -0.035 211 1HG1 VAL 27 1HG1 VAL 27 -1.779 7.102 1.788 212 2HG1 VAL 27 2HG1 VAL 27 -1.484 7.153 0.048 213 3HG1 VAL 27 3HG1 VAL 27 -3.120 7.357 0.668 214 1HG2 VAL 27 1HG2 VAL 27 -2.685 10.734 2.030 215 2HG2 VAL 27 2HG2 VAL 27 -2.726 9.204 2.905 216 3HG2 VAL 27 3HG2 VAL 27 -3.863 9.499 1.589 217 H LYS 28 H LYS 28 0.185 10.147 -0.896 218 HA LYS 28 HA LYS 28 1.397 7.862 -2.010 219 1HB LYS 28 2HB LYS 28 1.508 10.811 -2.702 220 2HB LYS 28 1HB LYS 28 2.433 9.612 -3.609 221 1HG LYS 28 2HG LYS 28 0.469 8.482 -4.337 222 2HG LYS 28 1HG LYS 28 -0.544 9.310 -3.157 223 1HD LYS 28 2HD LYS 28 -0.871 10.277 -5.397 224 2HD LYS 28 1HD LYS 28 -0.130 11.462 -4.324 225 1HE LYS 28 2HE LYS 28 2.051 11.084 -5.290 226 2HE LYS 28 1HE LYS 28 1.465 9.696 -6.205 227 1HZ LYS 28 1HZ LYS 28 -0.173 11.395 -7.195 228 2HZ LYS 28 2HZ LYS 28 1.432 11.386 -7.751 229 3HZ LYS 28 3HZ LYS 28 0.924 12.560 -6.632 230 H ALA 29 H ALA 29 2.674 10.512 -0.112 231 HA ALA 29 HA ALA 29 5.425 9.989 -0.555 232 1HB ALA 29 1HB ALA 29 4.488 12.145 0.288 233 2HB ALA 29 2HB ALA 29 5.819 11.507 1.253 234 3HB ALA 29 3HB ALA 29 4.159 11.327 1.815 235 H PHE 30 H PHE 30 3.137 9.115 1.974 236 HA PHE 30 HA PHE 30 4.987 7.796 3.596 237 1HB PHE 30 2HB PHE 30 2.003 7.430 3.322 238 2HB PHE 30 1HB PHE 30 2.993 6.759 4.616 239 HD1 PHE 30 1HD PHE 30 4.838 8.879 5.358 240 HD2 PHE 30 2HD PHE 30 0.679 9.195 4.230 241 HE1 PHE 30 1HE PHE 30 4.641 10.996 6.602 242 HE2 PHE 30 2HE PHE 30 0.515 11.299 5.498 243 HZ PHE 30 HZ PHE 30 2.489 12.191 6.671 244 H ILE 31 H ILE 31 2.938 6.849 0.884 245 HA ILE 31 HA ILE 31 3.595 4.096 0.982 246 HB ILE 31 HB ILE 31 2.585 5.819 -1.287 247 1HG1 ILE 31 2HG1 ILE 31 1.266 3.705 0.455 248 2HG1 ILE 31 1HG1 ILE 31 0.999 5.439 0.561 249 1HG2 ILE 31 1HG2 ILE 31 2.958 4.141 -2.761 250 2HG2 ILE 31 2HG2 ILE 31 2.159 2.982 -1.705 251 3HG2 ILE 31 3HG2 ILE 31 3.879 3.283 -1.529 252 1HD1 ILE 31 1HD1 ILE 31 -0.702 3.986 -0.769 253 2HD1 ILE 31 2HD1 ILE 31 0.523 3.999 -2.033 254 3HD1 ILE 31 3HD1 ILE 31 -0.171 5.516 -1.464 255 H ASP 32 H ASP 32 4.904 6.872 -0.736 256 HA ASP 32 HA ASP 32 6.845 5.520 -2.231 257 1HB ASP 32 2HB ASP 32 6.157 7.905 -2.568 258 2HB ASP 32 1HB ASP 32 7.086 8.324 -1.133 259 H SER 33 H SER 33 6.947 6.873 0.971 260 HA SER 33 HA SER 33 9.689 6.354 1.531 261 1HB SER 33 2HB SER 33 7.296 6.747 3.350 262 2HB SER 33 1HB SER 33 8.976 6.690 3.897 263 HG SER 33 HG SER 33 7.940 8.480 1.948 264 H LEU 34 H LEU 34 6.694 4.599 1.921 265 HA LEU 34 HA LEU 34 7.515 2.356 3.451 266 1HB LEU 34 2HB LEU 34 5.306 3.153 1.671 267 2HB LEU 34 1HB LEU 34 5.617 1.447 1.714 268 HG LEU 34 HG LEU 34 5.600 2.641 4.358 269 1HD1 LEU 34 1HD1 LEU 34 3.279 2.992 2.508 270 2HD1 LEU 34 2HD1 LEU 34 3.840 4.055 3.792 271 3HD1 LEU 34 3HD1 LEU 34 2.959 2.587 4.189 272 1HD2 LEU 34 1HD2 LEU 34 4.337 0.336 2.916 273 2HD2 LEU 34 2HD2 LEU 34 3.903 0.721 4.583 274 3HD2 LEU 34 3HD2 LEU 34 5.560 0.315 4.168 275 H ARG 35 H ARG 35 7.233 2.778 -0.064 276 HA ARG 35 HA ARG 35 8.319 0.288 -0.846 277 1HB ARG 35 2HB ARG 35 9.107 2.434 -2.667 278 2HB ARG 35 1HB ARG 35 8.083 1.037 -2.961 279 1HG ARG 35 2HG ARG 35 6.232 2.266 -1.768 280 2HG ARG 35 1HG ARG 35 7.288 3.668 -1.747 281 1HD ARG 35 2HD ARG 35 6.011 4.059 -3.651 282 2HD ARG 35 1HD ARG 35 7.438 3.276 -4.328 283 HE ARG 35 HE ARG 35 4.769 2.116 -4.047 284 1HH1 ARG 35 1HH2 ARG 35 6.332 2.097 -6.626 285 2HH1 ARG 35 2HH2 ARG 35 6.895 0.458 -6.679 286 1HH2 ARG 35 1HH1 ARG 35 6.282 -0.108 -3.315 287 2HH2 ARG 35 2HH1 ARG 35 6.857 -0.802 -4.799 288 H ASP 36 H ASP 36 9.852 3.440 -0.391 289 HA ASP 36 HA ASP 36 12.483 2.747 -1.079 290 1HB ASP 36 2HB ASP 36 11.580 5.067 -0.876 291 2HB ASP 36 1HB ASP 36 11.613 4.848 0.862 292 H ASP 37 H ASP 37 10.671 2.570 1.890 293 HA ASP 37 HA ASP 37 12.617 0.756 3.026 294 1HB ASP 37 2HB ASP 37 13.402 3.093 3.631 295 2HB ASP 37 1HB ASP 37 11.923 3.256 4.576 296 HA PRO 38 HA PRO 38 8.436 -0.468 4.122 297 1HB PRO 38 2HB PRO 38 9.408 -3.141 4.386 298 2HB PRO 38 1HB PRO 38 8.379 -2.474 3.143 299 1HG PRO 38 2HG PRO 38 10.980 -3.338 2.802 300 2HG PRO 38 1HG PRO 38 10.056 -2.328 1.680 301 1HD PRO 38 2HD PRO 38 12.198 -1.548 3.572 302 2HD PRO 38 1HD PRO 38 11.665 -0.764 2.067 303 H SER 39 H SER 39 11.447 -1.134 5.765 304 HA SER 39 HA SER 39 10.413 -2.199 8.179 305 1HB SER 39 2HB SER 39 12.569 -2.047 8.976 306 2HB SER 39 1HB SER 39 12.932 -1.839 7.268 307 HG SER 39 HG SER 39 12.738 0.459 7.671 308 H GLN 40 H GLN 40 10.633 0.951 6.804 309 HA GLN 40 HA GLN 40 9.928 2.355 9.236 310 1HB GLN 40 2HB GLN 40 10.908 3.059 6.557 311 2HB GLN 40 1HB GLN 40 9.695 4.172 7.172 312 1HG GLN 40 2HG GLN 40 11.955 4.893 7.817 313 2HG GLN 40 1HG GLN 40 10.997 4.480 9.236 314 1HE2 GLN 40 1HE2 GLN 40 13.816 3.582 7.344 315 2HE2 GLN 40 2HE2 GLN 40 14.341 2.337 8.371 316 H SER 41 H SER 41 8.200 0.566 7.022 317 HA SER 41 HA SER 41 6.022 2.047 6.236 318 1HB SER 41 2HB SER 41 4.786 -0.065 6.237 319 2HB SER 41 1HB SER 41 6.441 -0.371 5.729 320 HG SER 41 HG SER 41 6.793 -1.455 7.512 321 H ALA 42 H ALA 42 6.674 0.652 9.405 322 HA ALA 42 HA ALA 42 4.163 1.199 10.634 323 1HB ALA 42 1HB ALA 42 5.915 -0.392 11.478 324 2HB ALA 42 2HB ALA 42 5.353 0.757 12.694 325 3HB ALA 42 3HB ALA 42 6.906 1.013 11.886 326 H ASN 43 H ASN 43 7.231 2.829 10.354 327 HA ASN 43 HA ASN 43 6.729 5.006 12.060 328 1HB ASN 43 2HB ASN 43 8.687 4.290 9.930 329 2HB ASN 43 1HB ASN 43 8.647 5.954 10.524 330 1HD2 ASN 43 1HD2 ASN 43 10.090 2.969 11.071 331 2HD2 ASN 43 2HD2 ASN 43 10.535 3.185 12.694 332 H LEU 44 H LEU 44 6.236 4.401 8.691 333 HA LEU 44 HA LEU 44 5.569 7.058 7.887 334 1HB LEU 44 2HB LEU 44 5.129 4.342 6.611 335 2HB LEU 44 1HB LEU 44 5.002 5.905 5.780 336 HG LEU 44 HG LEU 44 7.463 5.165 7.350 337 1HD1 LEU 44 1HD1 LEU 44 6.808 4.466 4.516 338 2HD1 LEU 44 2HD1 LEU 44 7.462 3.443 5.798 339 3HD1 LEU 44 3HD1 LEU 44 8.471 4.686 5.067 340 1HD2 LEU 44 1HD2 LEU 44 7.176 7.452 6.941 341 2HD2 LEU 44 2HD2 LEU 44 6.764 7.162 5.253 342 3HD2 LEU 44 3HD2 LEU 44 8.408 6.873 5.821 343 H LEU 45 H LEU 45 3.987 4.218 8.860 344 HA LEU 45 HA LEU 45 1.291 5.067 8.485 345 1HB LEU 45 2HB LEU 45 1.658 2.730 8.748 346 2HB LEU 45 1HB LEU 45 2.618 2.965 10.202 347 HG LEU 45 HG LEU 45 0.638 3.699 11.433 348 1HD1 LEU 45 1HD1 LEU 45 -0.696 3.430 8.733 349 2HD1 LEU 45 2HD1 LEU 45 -0.677 4.827 9.807 350 3HD1 LEU 45 3HD1 LEU 45 -1.617 3.399 10.236 351 1HD2 LEU 45 1HD2 LEU 45 0.241 1.137 9.858 352 2HD2 LEU 45 2HD2 LEU 45 -0.626 1.552 11.340 353 3HD2 LEU 45 3HD2 LEU 45 1.123 1.320 11.376 354 H ALA 46 H ALA 46 3.691 5.260 10.979 355 HA ALA 46 HA ALA 46 2.138 6.425 13.020 356 1HB ALA 46 1HB ALA 46 4.170 6.768 14.147 357 2HB ALA 46 2HB ALA 46 5.056 6.994 12.637 358 3HB ALA 46 3HB ALA 46 4.527 5.380 13.118 359 H GLU 47 H GLU 47 4.254 7.690 10.545 360 HA GLU 47 HA GLU 47 4.073 10.416 11.133 361 1HB GLU 47 2HB GLU 47 4.725 8.763 8.733 362 2HB GLU 47 1HB GLU 47 4.610 10.514 8.583 363 1HG GLU 47 2HG GLU 47 6.487 8.935 10.345 364 2HG GLU 47 1HG GLU 47 6.908 9.918 8.948 365 H ALA 48 H ALA 48 2.196 8.218 9.177 366 HA ALA 48 HA ALA 48 0.578 10.166 7.939 367 1HB ALA 48 1HB ALA 48 0.400 7.212 8.433 368 2HB ALA 48 2HB ALA 48 0.768 8.054 6.927 369 3HB ALA 48 3HB ALA 48 -0.863 8.086 7.574 370 H LYS 49 H LYS 49 0.199 8.069 10.780 371 HA LYS 49 HA LYS 49 -2.388 8.957 11.517 372 1HB LYS 49 2HB LYS 49 -0.119 7.832 13.181 373 2HB LYS 49 1HB LYS 49 -1.734 8.145 13.812 374 1HG LYS 49 2HG LYS 49 -1.289 6.406 11.376 375 2HG LYS 49 1HG LYS 49 -1.247 5.745 13.007 376 1HD LYS 49 2HD LYS 49 -3.539 6.598 13.401 377 2HD LYS 49 1HD LYS 49 -3.577 7.243 11.761 378 1HE LYS 49 2HE LYS 49 -3.298 4.981 10.842 379 2HE LYS 49 1HE LYS 49 -3.210 4.316 12.474 380 1HZ LYS 49 1HZ LYS 49 -5.472 4.590 11.030 381 2HZ LYS 49 2HZ LYS 49 -5.516 5.977 12.010 382 3HZ LYS 49 3HZ LYS 49 -5.410 4.437 12.718 383 H LYS 50 H LYS 50 0.836 10.232 11.920 384 HA LYS 50 HA LYS 50 0.089 12.238 13.804 385 1HB LYS 50 2HB LYS 50 2.565 11.664 12.215 386 2HB LYS 50 1HB LYS 50 2.393 13.187 13.091 387 1HG LYS 50 2HG LYS 50 1.982 11.942 15.184 388 2HG LYS 50 1HG LYS 50 2.157 10.419 14.317 389 1HD LYS 50 2HD LYS 50 4.413 12.281 13.911 390 2HD LYS 50 1HD LYS 50 4.212 11.760 15.583 391 1HE LYS 50 2HE LYS 50 4.186 9.393 14.826 392 2HE LYS 50 1HE LYS 50 4.449 9.938 13.171 393 1HZ LYS 50 1HZ LYS 50 6.577 10.572 13.606 394 2HZ LYS 50 2HZ LYS 50 6.444 9.269 14.689 395 3HZ LYS 50 3HZ LYS 50 6.288 10.864 15.252 396 H LEU 51 H LEU 51 0.604 12.078 10.355 397 HA LEU 51 HA LEU 51 0.197 14.846 9.896 398 1HB LEU 51 2HB LEU 51 0.494 12.426 8.204 399 2HB LEU 51 1HB LEU 51 -0.401 13.768 7.497 400 HG LEU 51 HG LEU 51 1.908 14.025 6.899 401 1HD1 LEU 51 1HD1 LEU 51 0.443 16.008 7.931 402 2HD1 LEU 51 2HD1 LEU 51 2.099 16.252 7.377 403 3HD1 LEU 51 3HD1 LEU 51 1.770 16.027 9.094 404 1HD2 LEU 51 1HD2 LEU 51 3.184 12.806 8.426 405 2HD2 LEU 51 2HD2 LEU 51 2.367 13.506 9.824 406 3HD2 LEU 51 3HD2 LEU 51 3.541 14.459 8.914 407 H ASN 52 H ASN 52 -1.798 11.983 9.753 408 HA ASN 52 HA ASN 52 -4.168 13.139 8.814 409 1HB ASN 52 2HB ASN 52 -3.794 10.731 8.905 410 2HB ASN 52 1HB ASN 52 -3.734 10.781 10.662 411 1HD2 ASN 52 1HD2 ASN 52 -5.760 11.054 11.811 412 2HD2 ASN 52 2HD2 ASN 52 -7.255 10.935 11.016 413 H ASP 53 H ASP 53 -2.887 12.528 12.056 414 HA ASP 53 HA ASP 53 -5.067 13.569 13.478 415 1HB ASP 53 2HB ASP 53 -3.504 12.176 14.629 416 2HB ASP 53 1HB ASP 53 -2.170 13.261 14.248 417 H ALA 54 H ALA 54 -2.074 15.012 12.318 418 HA ALA 54 HA ALA 54 -2.392 17.569 13.439 419 1HB ALA 54 1HB ALA 54 -0.910 16.561 11.012 420 2HB ALA 54 2HB ALA 54 -0.246 16.973 12.592 421 3HB ALA 54 3HB ALA 54 -0.844 18.246 11.527 422 H GLN 55 H GLN 55 -3.480 16.085 10.429 423 HA GLN 55 HA GLN 55 -4.738 18.536 9.479 424 1HB GLN 55 2HB GLN 55 -4.522 15.714 8.432 425 2HB GLN 55 1HB GLN 55 -5.499 16.951 7.630 426 1HG GLN 55 2HG GLN 55 -3.591 18.337 7.229 427 2HG GLN 55 1HG GLN 55 -2.583 17.391 8.322 428 1HE2 GLN 55 1HE2 GLN 55 -2.449 14.949 7.624 429 2HE2 GLN 55 2HE2 GLN 55 -2.230 14.676 5.964 430 H ALA 56 H ALA 56 -5.523 16.148 11.673 431 HA ALA 56 HA ALA 56 -8.387 16.076 11.105 432 1HB ALA 56 1HB ALA 56 -7.364 14.001 11.882 433 2HB ALA 56 2HB ALA 56 -8.478 14.594 13.110 434 3HB ALA 56 3HB ALA 56 -6.742 14.813 13.317 435 HA PRO 57 HA PRO 57 -9.558 19.674 13.352 436 1HB PRO 57 2HB PRO 57 -11.741 18.334 14.641 437 2HB PRO 57 1HB PRO 57 -11.781 19.391 13.225 438 1HG PRO 57 2HG PRO 57 -11.738 16.466 13.378 439 2HG PRO 57 1HG PRO 57 -12.436 17.535 12.150 440 1HD PRO 57 2HD PRO 57 -10.211 16.182 11.634 441 2HD PRO 57 1HD PRO 57 -10.395 17.865 11.089 442 H LYS 58 H LYS 58 -9.430 20.515 15.304 443 HA LYS 58 HA LYS 58 -8.918 18.841 17.667 444 1HB LYS 58 2HB LYS 58 -7.138 21.070 16.755 445 2HB LYS 58 1HB LYS 58 -6.977 20.213 18.279 446 1HG LYS 58 2HG LYS 58 -6.711 18.081 16.985 447 2HG LYS 58 1HG LYS 58 -6.725 19.028 15.499 448 1HD LYS 58 2HD LYS 58 -4.766 20.327 16.364 449 2HD LYS 58 1HD LYS 58 -4.703 19.233 17.746 450 1HE LYS 58 2HE LYS 58 -4.394 18.454 14.828 451 2HE LYS 58 1HE LYS 58 -3.113 18.487 16.037 452 1HZ LYS 58 1HZ LYS 58 -5.021 16.949 17.193 453 2HZ LYS 58 2HZ LYS 58 -3.648 16.365 16.380 454 3HZ LYS 58 3HZ LYS 58 -5.130 16.499 15.561 455 1H VAL 1 1HT VAL 1 -16.220 -4.809 7.236 456 2H VAL 1 2HT VAL 1 -15.214 -4.863 8.604 457 3H VAL 1 3HT VAL 1 -15.899 -6.293 7.992 458 HA VAL 1 HA VAL 1 -13.822 -4.605 6.712 459 HB VAL 1 HB VAL 1 -12.444 -6.631 6.903 460 1HG1 VAL 1 1HG1 VAL 1 -12.578 -4.986 8.810 461 2HG1 VAL 1 2HG1 VAL 1 -12.103 -6.614 9.291 462 3HG1 VAL 1 3HG1 VAL 1 -13.753 -6.056 9.577 463 1HG2 VAL 1 1HG2 VAL 1 -13.245 -8.632 8.027 464 2HG2 VAL 1 2HG2 VAL 1 -14.372 -8.248 6.727 465 3HG2 VAL 1 3HG2 VAL 1 -14.788 -7.861 8.396 466 H ASP 2 H ASP 2 -12.874 -6.554 5.027 467 HA ASP 2 HA ASP 2 -15.054 -6.783 3.066 468 1HB ASP 2 2HB ASP 2 -13.300 -6.960 1.397 469 2HB ASP 2 1HB ASP 2 -12.972 -5.566 2.419 470 H ASN 3 H ASN 3 -13.920 -8.760 1.453 471 HA ASN 3 HA ASN 3 -14.888 -11.129 2.615 472 1HB ASN 3 2HB ASN 3 -14.667 -10.550 0.133 473 2HB ASN 3 1HB ASN 3 -12.963 -10.962 0.286 474 1HD2 ASN 3 1HD2 ASN 3 -13.202 -12.828 -1.145 475 2HD2 ASN 3 2HD2 ASN 3 -14.010 -14.231 -0.634 476 H LYS 4 H LYS 4 -13.288 -13.196 2.409 477 HA LYS 4 HA LYS 4 -11.530 -13.068 4.576 478 1HB LYS 4 2HB LYS 4 -10.650 -15.271 3.746 479 2HB LYS 4 1HB LYS 4 -12.400 -15.208 3.928 480 1HG LYS 4 2HG LYS 4 -12.700 -15.676 1.747 481 2HG LYS 4 1HG LYS 4 -11.687 -14.323 1.273 482 1HD LYS 4 2HD LYS 4 -10.556 -16.989 2.167 483 2HD LYS 4 1HD LYS 4 -10.890 -16.606 0.480 484 1HE LYS 4 2HE LYS 4 -9.442 -14.418 1.140 485 2HE LYS 4 1HE LYS 4 -8.739 -15.575 2.266 486 1HZ LYS 4 1HZ LYS 4 -8.842 -17.003 0.002 487 2HZ LYS 4 2HZ LYS 4 -7.483 -16.122 0.516 488 3HZ LYS 4 3HZ LYS 4 -8.557 -15.449 -0.616 489 H PHE 5 H PHE 5 -11.136 -11.890 1.471 490 HA PHE 5 HA PHE 5 -8.353 -12.223 1.129 491 1HB PHE 5 2HB PHE 5 -10.450 -10.501 -0.165 492 2HB PHE 5 1HB PHE 5 -8.739 -10.312 -0.567 493 HD1 PHE 5 1HD PHE 5 -11.316 -12.977 -0.094 494 HD2 PHE 5 2HD PHE 5 -7.812 -11.687 -2.219 495 HE1 PHE 5 1HE PHE 5 -11.415 -15.017 -1.507 496 HE2 PHE 5 2HE PHE 5 -7.910 -13.723 -3.626 497 HZ PHE 5 HZ PHE 5 -9.701 -15.391 -3.260 498 H ASN 6 H ASN 6 -9.859 -10.502 3.508 499 HA ASN 6 HA ASN 6 -8.569 -7.984 3.461 500 1HB ASN 6 2HB ASN 6 -10.337 -8.873 5.145 501 2HB ASN 6 1HB ASN 6 -8.970 -9.588 5.994 502 1HD2 ASN 6 1HD2 ASN 6 -7.057 -7.428 5.479 503 2HD2 ASN 6 2HD2 ASN 6 -7.582 -6.079 6.364 504 H LYS 7 H LYS 7 -7.568 -11.128 4.725 505 HA LYS 7 HA LYS 7 -4.965 -10.384 5.597 506 1HB LYS 7 2HB LYS 7 -6.026 -12.430 6.380 507 2HB LYS 7 1HB LYS 7 -6.151 -13.041 4.732 508 1HG LYS 7 2HG LYS 7 -3.636 -12.994 4.591 509 2HG LYS 7 1HG LYS 7 -3.597 -12.560 6.302 510 1HD LYS 7 2HD LYS 7 -4.681 -14.632 6.923 511 2HD LYS 7 1HD LYS 7 -4.986 -15.037 5.235 512 1HE LYS 7 2HE LYS 7 -2.237 -14.765 6.494 513 2HE LYS 7 1HE LYS 7 -3.046 -16.287 6.130 514 1HZ LYS 7 1HZ LYS 7 -1.813 -14.362 4.320 515 2HZ LYS 7 2HZ LYS 7 -3.231 -15.122 3.773 516 3HZ LYS 7 3HZ LYS 7 -1.883 -16.054 4.221 517 H GLU 8 H GLU 8 -6.209 -11.876 2.643 518 HA GLU 8 HA GLU 8 -3.764 -12.174 1.270 519 1HB GLU 8 2HB GLU 8 -6.576 -11.826 0.155 520 2HB GLU 8 1HB GLU 8 -5.196 -12.492 -0.721 521 1HG GLU 8 2HG GLU 8 -6.613 -13.679 1.680 522 2HG GLU 8 1HG GLU 8 -6.502 -14.356 0.056 523 H ARG 9 H ARG 9 -6.035 -9.522 1.485 524 HA ARG 9 HA ARG 9 -5.144 -7.963 -0.677 525 1HB ARG 9 2HB ARG 9 -7.312 -7.656 0.422 526 2HB ARG 9 1HB ARG 9 -6.506 -7.177 1.913 527 1HG ARG 9 2HG ARG 9 -5.365 -5.428 0.157 528 2HG ARG 9 1HG ARG 9 -6.946 -5.645 -0.582 529 1HD ARG 9 2HD ARG 9 -6.529 -4.969 2.336 530 2HD ARG 9 1HD ARG 9 -6.874 -3.785 1.086 531 HE ARG 9 HE ARG 9 -8.902 -5.455 0.728 532 1HH1 ARG 9 1HH1 ARG 9 -7.761 -5.829 3.779 533 2HH1 ARG 9 2HH1 ARG 9 -9.130 -5.170 4.609 534 1HH2 ARG 9 1HH2 ARG 9 -10.586 -3.894 1.740 535 2HH2 ARG 9 2HH2 ARG 9 -10.727 -4.075 3.456 536 H VAL 10 H VAL 10 -4.345 -7.998 2.787 537 HA VAL 10 HA VAL 10 -2.709 -5.741 2.889 538 HB VAL 10 HB VAL 10 -2.276 -8.242 4.494 539 1HG1 VAL 10 1HG1 VAL 10 -0.564 -6.870 5.075 540 2HG1 VAL 10 2HG1 VAL 10 -1.781 -6.303 6.217 541 3HG1 VAL 10 3HG1 VAL 10 -1.456 -5.396 4.736 542 1HG2 VAL 10 1HG2 VAL 10 -4.645 -6.599 4.368 543 2HG2 VAL 10 2HG2 VAL 10 -3.883 -6.416 5.956 544 3HG2 VAL 10 3HG2 VAL 10 -4.332 -8.016 5.368 545 H ILE 11 H ILE 11 -1.965 -9.066 2.004 546 HA ILE 11 HA ILE 11 0.853 -8.661 1.787 547 HB ILE 11 HB ILE 11 -0.845 -10.803 0.489 548 1HG1 ILE 11 2HG1 ILE 11 0.090 -10.317 3.293 549 2HG1 ILE 11 1HG1 ILE 11 -1.360 -11.134 2.721 550 1HG2 ILE 11 1HG2 ILE 11 2.081 -10.833 1.320 551 2HG2 ILE 11 2HG2 ILE 11 1.545 -10.491 -0.325 552 3HG2 ILE 11 3HG2 ILE 11 1.226 -12.067 0.394 553 1HD1 ILE 11 1HD1 ILE 11 1.431 -12.230 3.000 554 2HD1 ILE 11 2HD1 ILE 11 0.280 -12.989 1.896 555 3HD1 ILE 11 3HD1 ILE 11 -0.083 -12.893 3.617 556 H ALA 12 H ALA 12 -1.864 -8.495 -0.508 557 HA ALA 12 HA ALA 12 -0.286 -8.134 -2.852 558 1HB ALA 12 1HB ALA 12 -2.598 -8.741 -3.125 559 2HB ALA 12 2HB ALA 12 -2.416 -7.095 -3.739 560 3HB ALA 12 3HB ALA 12 -3.125 -7.372 -2.148 561 H ILE 13 H ILE 13 -1.785 -5.911 -0.546 562 HA ILE 13 HA ILE 13 -1.074 -3.511 -1.825 563 HB ILE 13 HB ILE 13 -1.256 -4.143 1.155 564 1HG1 ILE 13 2HG1 ILE 13 -3.284 -2.749 -0.553 565 2HG1 ILE 13 1HG1 ILE 13 -3.285 -4.500 -0.401 566 1HG2 ILE 13 1HG2 ILE 13 -1.245 -1.505 -0.333 567 2HG2 ILE 13 2HG2 ILE 13 -0.111 -2.026 0.903 568 3HG2 ILE 13 3HG2 ILE 13 -1.789 -1.685 1.336 569 1HD1 ILE 13 1HD1 ILE 13 -4.814 -3.596 1.232 570 2HD1 ILE 13 2HD1 ILE 13 -3.580 -2.470 1.792 571 3HD1 ILE 13 3HD1 ILE 13 -3.395 -4.184 2.091 572 H GLY 14 H GLY 14 0.553 -5.517 0.568 573 1HA GLY 14 2HA GLY 14 2.964 -4.122 0.800 574 2HA GLY 14 1HA GLY 14 2.742 -5.843 1.069 575 H GLU 15 H GLU 15 1.981 -6.641 -1.495 576 HA GLU 15 HA GLU 15 4.517 -6.968 -2.663 577 1HB GLU 15 2HB GLU 15 2.485 -8.481 -2.847 578 2HB GLU 15 1HB GLU 15 1.881 -7.373 -4.048 579 1HG GLU 15 2HG GLU 15 3.088 -9.256 -5.120 580 2HG GLU 15 1HG GLU 15 3.891 -7.727 -5.450 581 H ILE 16 H ILE 16 1.730 -4.870 -3.394 582 HA ILE 16 HA ILE 16 2.858 -3.707 -5.753 583 HB ILE 16 HB ILE 16 1.500 -1.864 -3.767 584 1HG1 ILE 16 2HG1 ILE 16 0.079 -3.892 -3.782 585 2HG1 ILE 16 1HG1 ILE 16 -0.719 -2.509 -4.480 586 1HG2 ILE 16 1HG2 ILE 16 1.327 -2.134 -6.781 587 2HG2 ILE 16 2HG2 ILE 16 2.320 -0.977 -5.900 588 3HG2 ILE 16 3HG2 ILE 16 0.565 -0.879 -5.807 589 1HD1 ILE 16 1HD1 ILE 16 -0.281 -3.285 -6.706 590 2HD1 ILE 16 2HD1 ILE 16 -1.036 -4.596 -5.795 591 3HD1 ILE 16 3HD1 ILE 16 0.705 -4.618 -6.097 592 H MET 17 H MET 17 3.067 -2.776 -2.364 593 HA MET 17 HA MET 17 4.834 -0.601 -2.574 594 1HB MET 17 2HB MET 17 4.448 -2.454 -0.246 595 2HB MET 17 1HB MET 17 5.062 -0.796 -0.208 596 1HG MET 17 2HG MET 17 2.317 -1.556 -1.191 597 2HG MET 17 1HG MET 17 2.643 -0.951 0.414 598 1HE MET 17 1HE MET 17 4.902 1.670 -0.418 599 2HE MET 17 2HE MET 17 4.043 0.734 0.828 600 3HE MET 17 3HE MET 17 3.457 2.346 0.360 601 H ARG 18 H ARG 18 5.423 -4.075 -2.422 602 HA ARG 18 HA ARG 18 8.198 -3.952 -1.815 603 1HB ARG 18 2HB ARG 18 6.512 -6.042 -3.121 604 2HB ARG 18 1HB ARG 18 8.223 -6.263 -2.844 605 1HG ARG 18 2HG ARG 18 6.620 -5.366 -0.512 606 2HG ARG 18 1HG ARG 18 6.329 -7.004 -1.067 607 1HD ARG 18 2HD ARG 18 9.085 -5.904 -0.469 608 2HD ARG 18 1HD ARG 18 8.122 -6.788 0.708 609 HE ARG 18 HE ARG 18 9.767 -8.133 -0.862 610 1HH1 ARG 18 1HH1 ARG 18 7.151 -9.390 0.227 611 2HH1 ARG 18 2HH1 ARG 18 6.549 -10.161 -1.201 612 1HH2 ARG 18 1HH2 ARG 18 8.633 -8.414 -3.340 613 2HH2 ARG 18 2HH2 ARG 18 7.386 -9.608 -3.217 614 H LEU 19 H LEU 19 6.314 -3.913 -4.785 615 HA LEU 19 HA LEU 19 8.370 -4.258 -6.660 616 1HB LEU 19 2HB LEU 19 5.808 -2.691 -6.883 617 2HB LEU 19 1HB LEU 19 6.825 -3.103 -8.230 618 HG LEU 19 HG LEU 19 5.590 -5.142 -6.378 619 1HD1 LEU 19 1HD1 LEU 19 4.694 -4.286 -9.138 620 2HD1 LEU 19 2HD1 LEU 19 3.860 -3.894 -7.632 621 3HD1 LEU 19 3HD1 LEU 19 3.974 -5.563 -8.161 622 1HD2 LEU 19 1HD2 LEU 19 6.611 -6.711 -7.613 623 2HD2 LEU 19 2HD2 LEU 19 7.686 -5.406 -8.101 624 3HD2 LEU 19 3HD2 LEU 19 6.325 -5.848 -9.118 625 HA PRO 20 HA PRO 20 10.338 -0.324 -5.747 626 1HB PRO 20 2HB PRO 20 12.667 -1.288 -7.145 627 2HB PRO 20 1HB PRO 20 12.434 -1.084 -5.406 628 1HG PRO 20 2HG PRO 20 12.738 -3.485 -6.671 629 2HG PRO 20 1HG PRO 20 11.945 -3.261 -5.102 630 1HD PRO 20 2HD PRO 20 10.709 -3.605 -7.808 631 2HD PRO 20 1HD PRO 20 10.192 -4.245 -6.231 632 H ASN 21 H ASN 21 9.126 -1.413 -8.653 633 HA ASN 21 HA ASN 21 10.425 0.765 -10.186 634 1HB ASN 21 2HB ASN 21 8.881 -1.539 -11.357 635 2HB ASN 21 1HB ASN 21 9.955 -0.417 -12.176 636 1HD2 ASN 21 1HD2 ASN 21 10.352 -3.215 -12.378 637 2HD2 ASN 21 2HD2 ASN 21 11.795 -3.615 -11.577 638 H LEU 22 H LEU 22 7.348 -0.458 -8.992 639 HA LEU 22 HA LEU 22 5.609 0.949 -10.706 640 1HB LEU 22 2HB LEU 22 5.206 0.224 -7.803 641 2HB LEU 22 1HB LEU 22 3.949 0.842 -8.850 642 HG LEU 22 HG LEU 22 5.421 -1.778 -9.060 643 1HD1 LEU 22 1HD1 LEU 22 3.542 -1.911 -7.570 644 2HD1 LEU 22 2HD1 LEU 22 2.991 -2.586 -9.108 645 3HD1 LEU 22 3HD1 LEU 22 2.538 -0.946 -8.650 646 1HD2 LEU 22 1HD2 LEU 22 5.298 -0.973 -11.266 647 2HD2 LEU 22 2HD2 LEU 22 3.686 -0.300 -11.005 648 3HD2 LEU 22 3HD2 LEU 22 3.913 -2.038 -11.084 649 H ASN 23 H ASN 23 4.633 2.855 -10.674 650 HA ASN 23 HA ASN 23 5.984 5.098 -9.485 651 1HB ASN 23 2HB ASN 23 4.795 5.193 -11.653 652 2HB ASN 23 1HB ASN 23 3.298 4.823 -10.862 653 1HD2 ASN 23 1HD2 ASN 23 4.993 7.314 -12.098 654 2HD2 ASN 23 2HD2 ASN 23 4.318 8.585 -11.197 655 H SER 24 H SER 24 4.996 6.569 -7.865 656 HA SER 24 HA SER 24 3.868 5.242 -5.628 657 1HB SER 24 2HB SER 24 3.523 7.485 -4.699 658 2HB SER 24 1HB SER 24 5.104 7.391 -5.469 659 HG SER 24 HG SER 24 3.805 8.187 -7.401 660 H LEU 25 H LEU 25 2.490 7.204 -8.184 661 HA LEU 25 HA LEU 25 -0.223 7.102 -7.354 662 1HB LEU 25 2HB LEU 25 1.290 8.130 -9.635 663 2HB LEU 25 1HB LEU 25 -0.260 7.480 -10.087 664 HG LEU 25 HG LEU 25 0.042 9.348 -7.793 665 1HD1 LEU 25 1HD1 LEU 25 0.934 10.397 -9.894 666 2HD1 LEU 25 2HD1 LEU 25 -0.513 11.195 -9.275 667 3HD1 LEU 25 3HD1 LEU 25 -0.633 10.095 -10.648 668 1HD2 LEU 25 1HD2 LEU 25 -2.002 7.749 -8.781 669 2HD2 LEU 25 2HD2 LEU 25 -2.404 9.371 -9.354 670 3HD2 LEU 25 3HD2 LEU 25 -2.182 9.074 -7.629 671 H GLN 26 H GLN 26 1.798 5.138 -9.488 672 HA GLN 26 HA GLN 26 -0.263 3.532 -10.579 673 1HB GLN 26 2HB GLN 26 2.690 3.218 -10.232 674 2HB GLN 26 1HB GLN 26 1.736 1.799 -10.646 675 1HG GLN 26 2HG GLN 26 0.844 2.989 -12.626 676 2HG GLN 26 1HG GLN 26 1.834 4.392 -12.221 677 1HE2 GLN 26 1HE2 GLN 26 3.636 1.731 -11.274 678 2HE2 GLN 26 2HE2 GLN 26 4.534 1.499 -12.700 679 H VAL 27 H VAL 27 1.733 3.353 -7.733 680 HA VAL 27 HA VAL 27 0.899 0.823 -6.823 681 HB VAL 27 HB VAL 27 2.238 3.180 -5.528 682 1HG1 VAL 27 1HG1 VAL 27 1.378 0.564 -4.270 683 2HG1 VAL 27 2HG1 VAL 27 1.115 2.199 -3.670 684 3HG1 VAL 27 3HG1 VAL 27 2.735 1.507 -3.652 685 1HG2 VAL 27 1HG2 VAL 27 4.020 2.183 -6.477 686 2HG2 VAL 27 2HG2 VAL 27 2.984 0.900 -7.104 687 3HG2 VAL 27 3HG2 VAL 27 3.713 0.743 -5.506 688 H VAL 28 H VAL 28 -0.156 4.098 -6.089 689 HA VAL 28 HA VAL 28 -2.188 3.403 -4.283 690 HB VAL 28 HB VAL 28 -2.009 5.738 -6.211 691 1HG1 VAL 28 1HG1 VAL 28 -4.128 4.820 -4.562 692 2HG1 VAL 28 2HG1 VAL 28 -4.039 6.336 -5.457 693 3HG1 VAL 28 3HG1 VAL 28 -3.468 6.262 -3.789 694 1HG2 VAL 28 1HG2 VAL 28 -1.543 6.430 -3.457 695 2HG2 VAL 28 2HG2 VAL 28 -0.428 6.568 -4.819 696 3HG2 VAL 28 3HG2 VAL 28 -0.481 5.083 -3.869 697 H ALA 29 H ALA 29 -1.968 3.473 -7.792 698 HA ALA 29 HA ALA 29 -4.670 3.258 -8.487 699 1HB ALA 29 1HB ALA 29 -3.865 2.972 -10.601 700 2HB ALA 29 2HB ALA 29 -2.776 1.669 -10.117 701 3HB ALA 29 3HB ALA 29 -2.303 3.351 -9.873 702 H PHE 30 H PHE 30 -2.221 0.794 -7.715 703 HA PHE 30 HA PHE 30 -4.010 -1.366 -8.058 704 1HB PHE 30 2HB PHE 30 -1.269 -1.147 -6.781 705 2HB PHE 30 1HB PHE 30 -2.126 -2.663 -7.085 706 HD1 PHE 30 1HD PHE 30 -3.234 -2.629 -9.709 707 HD2 PHE 30 2HD PHE 30 0.365 -0.650 -8.363 708 HE1 PHE 30 1HE PHE 30 -2.420 -2.487 -12.012 709 HE2 PHE 30 2HE PHE 30 1.150 -0.544 -10.678 710 HZ PHE 30 HZ PHE 30 -0.239 -1.468 -12.510 711 H ILE 31 H ILE 31 -2.684 0.339 -5.180 712 HA ILE 31 HA ILE 31 -3.894 -1.308 -3.235 713 HB ILE 31 HB ILE 31 -3.430 1.683 -3.020 714 1HG1 ILE 31 2HG1 ILE 31 -1.527 -0.491 -2.120 715 2HG1 ILE 31 1HG1 ILE 31 -1.380 0.273 -3.693 716 1HG2 ILE 31 1HG2 ILE 31 -3.033 -0.076 -0.679 717 2HG2 ILE 31 2HG2 ILE 31 -4.696 0.009 -1.240 718 3HG2 ILE 31 3HG2 ILE 31 -3.842 1.484 -0.791 719 1HD1 ILE 31 1HD1 ILE 31 -1.206 2.476 -2.661 720 2HD1 ILE 31 2HD1 ILE 31 0.021 1.410 -1.953 721 3HD1 ILE 31 3HD1 ILE 31 -1.470 1.771 -1.062 722 H ASN 32 H ASN 32 -5.033 1.621 -4.846 723 HA ASN 32 HA ASN 32 -7.513 1.840 -3.557 724 1HB ASN 32 2HB ASN 32 -6.301 3.570 -4.993 725 2HB ASN 32 1HB ASN 32 -6.941 2.711 -6.386 726 1HD2 ASN 32 1HD2 ASN 32 -8.931 3.368 -7.052 727 2HD2 ASN 32 2HD2 ASN 32 -10.060 4.219 -6.116 728 H SER 33 H SER 33 -6.446 -0.195 -6.258 729 HA SER 33 HA SER 33 -9.104 -0.781 -7.099 730 1HB SER 33 2HB SER 33 -6.404 -1.654 -7.861 731 2HB SER 33 1HB SER 33 -7.756 -2.705 -8.282 732 HG SER 33 HG SER 33 -7.938 0.053 -8.755 733 H LEU 34 H LEU 34 -6.824 -2.073 -4.781 734 HA LEU 34 HA LEU 34 -8.165 -4.574 -4.341 735 1HB LEU 34 2HB LEU 34 -6.860 -3.096 -2.071 736 2HB LEU 34 1HB LEU 34 -6.860 -4.812 -2.410 737 HG LEU 34 HG LEU 34 -5.315 -2.733 -3.956 738 1HD1 LEU 34 1HD1 LEU 34 -3.426 -3.340 -2.806 739 2HD1 LEU 34 2HD1 LEU 34 -4.077 -4.930 -2.369 740 3HD1 LEU 34 3HD1 LEU 34 -4.665 -3.478 -1.556 741 1HD2 LEU 34 1HD2 LEU 34 -5.907 -4.601 -5.360 742 2HD2 LEU 34 2HD2 LEU 34 -5.368 -5.725 -4.133 743 3HD2 LEU 34 3HD2 LEU 34 -4.205 -4.711 -4.954 744 H ARG 35 H ARG 35 -8.274 -1.322 -3.107 745 HA ARG 35 HA ARG 35 -10.327 -1.484 -1.168 746 1HB ARG 35 2HB ARG 35 -8.621 0.419 -2.014 747 2HB ARG 35 1HB ARG 35 -10.045 0.935 -2.895 748 1HG ARG 35 2HG ARG 35 -11.128 1.619 -1.014 749 2HG ARG 35 1HG ARG 35 -10.479 0.314 -0.025 750 1HD ARG 35 2HD ARG 35 -8.756 2.584 -0.991 751 2HD ARG 35 1HD ARG 35 -9.700 2.717 0.486 752 HE ARG 35 HE ARG 35 -8.414 0.748 1.306 753 1HH1 ARG 35 1HH1 ARG 35 -7.273 1.407 -1.766 754 2HH1 ARG 35 2HH1 ARG 35 -5.614 1.542 -1.324 755 1HH2 ARG 35 1HH2 ARG 35 -6.243 1.414 2.079 756 2HH2 ARG 35 2HH2 ARG 35 -5.022 1.518 0.857 757 H ASP 36 H ASP 36 -10.354 -0.871 -4.634 758 HA ASP 36 HA ASP 36 -13.155 -0.442 -4.916 759 1HB ASP 36 2HB ASP 36 -11.013 -1.281 -6.894 760 2HB ASP 36 1HB ASP 36 -12.654 -0.825 -7.346 761 H ASP 37 H ASP 37 -11.037 -3.239 -5.219 762 HA ASP 37 HA ASP 37 -13.254 -5.090 -4.811 763 1HB ASP 37 2HB ASP 37 -11.537 -5.256 -7.310 764 2HB ASP 37 1HB ASP 37 -12.748 -6.433 -6.807 765 HA PRO 38 HA PRO 38 -9.503 -6.383 -2.650 766 1HB PRO 38 2HB PRO 38 -11.200 -7.783 -0.816 767 2HB PRO 38 1HB PRO 38 -10.228 -6.338 -0.537 768 1HG PRO 38 2HG PRO 38 -13.002 -6.476 -0.629 769 2HG PRO 38 1HG PRO 38 -12.019 -5.009 -0.675 770 1HD PRO 38 2HD PRO 38 -13.467 -6.353 -2.861 771 2HD PRO 38 1HD PRO 38 -12.885 -4.678 -2.749 772 H SER 39 H SER 39 -12.163 -8.236 -3.900 773 HA SER 39 HA SER 39 -11.210 -10.846 -3.392 774 1HB SER 39 2HB SER 39 -13.541 -10.266 -4.135 775 2HB SER 39 1HB SER 39 -12.895 -9.930 -5.739 776 HG SER 39 HG SER 39 -11.973 -12.154 -5.521 777 H GLN 40 H GLN 40 -10.735 -8.547 -6.034 778 HA GLN 40 HA GLN 40 -8.862 -10.373 -7.301 779 1HB GLN 40 2HB GLN 40 -9.308 -7.835 -8.676 780 2HB GLN 40 1HB GLN 40 -9.403 -9.471 -9.279 781 1HG GLN 40 2HG GLN 40 -11.637 -9.684 -8.059 782 2HG GLN 40 1HG GLN 40 -11.556 -7.942 -7.811 783 1HE2 GLN 40 1HE2 GLN 40 -12.704 -10.287 -9.923 784 2HE2 GLN 40 2HE2 GLN 40 -12.880 -9.324 -11.310 785 H SER 41 H SER 41 -8.263 -8.830 -4.773 786 HA SER 41 HA SER 41 -6.597 -6.657 -5.289 787 1HB SER 41 2HB SER 41 -6.443 -8.839 -3.180 788 2HB SER 41 1HB SER 41 -5.385 -7.436 -3.166 789 HG SER 41 HG SER 41 -7.981 -7.678 -2.423 790 H ALA 42 H ALA 42 -6.104 -10.053 -5.612 791 HA ALA 42 HA ALA 42 -3.281 -10.057 -6.033 792 1HB ALA 42 1HB ALA 42 -5.314 -12.096 -6.941 793 2HB ALA 42 2HB ALA 42 -4.724 -11.995 -5.280 794 3HB ALA 42 3HB ALA 42 -3.603 -12.364 -6.594 795 H ASN 43 H ASN 43 -6.095 -9.580 -8.031 796 HA ASN 43 HA ASN 43 -5.005 -10.179 -10.559 797 1HB ASN 43 2HB ASN 43 -7.410 -9.995 -9.816 798 2HB ASN 43 1HB ASN 43 -7.206 -8.256 -10.033 799 1HD2 ASN 43 1HD2 ASN 43 -6.251 -7.653 -12.304 800 2HD2 ASN 43 2HD2 ASN 43 -6.824 -8.549 -13.626 801 H LEU 44 H LEU 44 -5.717 -7.048 -9.030 802 HA LEU 44 HA LEU 44 -4.356 -5.697 -11.095 803 1HB LEU 44 2HB LEU 44 -4.937 -3.633 -10.029 804 2HB LEU 44 1HB LEU 44 -6.325 -4.691 -10.027 805 HG LEU 44 HG LEU 44 -5.980 -3.413 -7.959 806 1HD1 LEU 44 1HD1 LEU 44 -7.000 -5.847 -8.324 807 2HD1 LEU 44 2HD1 LEU 44 -7.047 -4.957 -6.803 808 3HD1 LEU 44 3HD1 LEU 44 -5.794 -6.180 -7.085 809 1HD2 LEU 44 1HD2 LEU 44 -3.400 -3.972 -8.082 810 2HD2 LEU 44 2HD2 LEU 44 -3.934 -5.269 -7.010 811 3HD2 LEU 44 3HD2 LEU 44 -4.233 -3.590 -6.597 812 H LEU 45 H LEU 45 -3.600 -7.086 -8.067 813 HA LEU 45 HA LEU 45 -1.093 -5.796 -7.605 814 1HB LEU 45 2HB LEU 45 -1.829 -7.086 -5.766 815 2HB LEU 45 1HB LEU 45 -2.338 -8.419 -6.794 816 HG LEU 45 HG LEU 45 0.011 -8.949 -7.305 817 1HD1 LEU 45 1HD1 LEU 45 0.631 -6.716 -5.357 818 2HD1 LEU 45 2HD1 LEU 45 0.901 -6.660 -7.092 819 3HD1 LEU 45 3HD1 LEU 45 1.807 -7.789 -6.107 820 1HD2 LEU 45 1HD2 LEU 45 -0.403 -10.309 -5.548 821 2HD2 LEU 45 2HD2 LEU 45 -1.150 -9.028 -4.603 822 3HD2 LEU 45 3HD2 LEU 45 0.602 -9.196 -4.626 823 H ALA 46 H ALA 46 -2.400 -8.396 -9.464 824 HA ALA 46 HA ALA 46 -0.001 -9.504 -10.492 825 1HB ALA 46 1HB ALA 46 -2.148 -9.632 -12.425 826 2HB ALA 46 2HB ALA 46 -2.813 -9.930 -10.822 827 3HB ALA 46 3HB ALA 46 -1.495 -10.933 -11.434 828 H GLU 47 H GLU 47 -2.226 -6.986 -11.521 829 HA GLU 47 HA GLU 47 -0.979 -6.200 -13.916 830 1HB GLU 47 2HB GLU 47 -2.643 -4.603 -11.948 831 2HB GLU 47 1HB GLU 47 -2.181 -4.043 -13.550 832 1HG GLU 47 2HG GLU 47 -3.883 -6.442 -12.889 833 2HG GLU 47 1HG GLU 47 -4.449 -4.912 -13.533 834 H ALA 48 H ALA 48 -0.474 -5.442 -10.542 835 HA ALA 48 HA ALA 48 1.224 -3.203 -10.829 836 1HB ALA 48 1HB ALA 48 -0.093 -4.442 -8.797 837 2HB ALA 48 2HB ALA 48 1.185 -3.249 -8.565 838 3HB ALA 48 3HB ALA 48 1.565 -4.972 -8.508 839 H LYS 49 H LYS 49 1.831 -6.610 -10.148 840 HA LYS 49 HA LYS 49 4.632 -6.392 -10.035 841 1HB LYS 49 2HB LYS 49 2.713 -8.650 -10.487 842 2HB LYS 49 1HB LYS 49 4.455 -8.925 -10.509 843 1HG LYS 49 2HG LYS 49 4.552 -7.808 -8.245 844 2HG LYS 49 1HG LYS 49 2.788 -7.809 -8.242 845 1HD LYS 49 2HD LYS 49 4.418 -10.331 -8.652 846 2HD LYS 49 1HD LYS 49 3.920 -9.779 -7.057 847 1HE LYS 49 2HE LYS 49 1.617 -9.687 -8.752 848 2HE LYS 49 1HE LYS 49 2.389 -11.255 -8.980 849 1HZ LYS 49 1HZ LYS 49 2.357 -11.623 -6.628 850 2HZ LYS 49 2HZ LYS 49 0.785 -11.218 -7.134 851 3HZ LYS 49 3HZ LYS 49 1.748 -10.067 -6.339 852 H LYS 50 H LYS 50 2.352 -6.797 -12.627 853 HA LYS 50 HA LYS 50 4.256 -7.205 -14.734 854 1HB LYS 50 2HB LYS 50 1.354 -6.405 -14.677 855 2HB LYS 50 1HB LYS 50 2.280 -6.498 -16.175 856 1HG LYS 50 2HG LYS 50 2.907 -8.885 -15.488 857 2HG LYS 50 1HG LYS 50 1.674 -8.754 -14.241 858 1HD LYS 50 2HD LYS 50 1.159 -8.325 -17.202 859 2HD LYS 50 1HD LYS 50 0.852 -9.836 -16.353 860 1HE LYS 50 2HE LYS 50 -1.244 -8.898 -16.162 861 2HE LYS 50 1HE LYS 50 -0.512 -8.193 -14.723 862 1HZ LYS 50 1HZ LYS 50 -1.708 -6.699 -16.469 863 2HZ LYS 50 2HZ LYS 50 -0.226 -6.802 -17.292 864 3HZ LYS 50 3HZ LYS 50 -0.284 -6.163 -15.721 865 H LEU 51 H LEU 51 2.573 -4.424 -13.324 866 HA LEU 51 HA LEU 51 3.496 -2.537 -15.245 867 1HB LEU 51 2HB LEU 51 1.978 -2.458 -12.748 868 2HB LEU 51 1HB LEU 51 3.060 -1.083 -12.922 869 HG LEU 51 HG LEU 51 0.812 -0.697 -13.912 870 1HD1 LEU 51 1HD1 LEU 51 1.657 0.285 -15.986 871 2HD1 LEU 51 2HD1 LEU 51 3.100 -0.725 -15.891 872 3HD1 LEU 51 3HD1 LEU 51 2.811 0.516 -14.674 873 1HD2 LEU 51 1HD2 LEU 51 1.488 -3.227 -15.263 874 2HD2 LEU 51 2HD2 LEU 51 0.912 -1.977 -16.366 875 3HD2 LEU 51 3HD2 LEU 51 -0.086 -2.478 -15.003 876 H ASN 52 H ASN 52 4.634 -3.703 -12.202 877 HA ASN 52 HA ASN 52 6.842 -1.937 -11.855 878 1HB ASN 52 2HB ASN 52 6.167 -3.349 -10.024 879 2HB ASN 52 1HB ASN 52 6.392 -4.799 -10.983 880 1HD2 ASN 52 1HD2 ASN 52 8.641 -5.328 -11.608 881 2HD2 ASN 52 2HD2 ASN 52 9.934 -4.794 -10.647 882 H ASP 53 H ASP 53 6.245 -4.941 -13.496 883 HA ASP 53 HA ASP 53 8.903 -5.335 -14.475 884 1HB ASP 53 2HB ASP 53 7.035 -7.073 -14.434 885 2HB ASP 53 1HB ASP 53 6.367 -6.258 -15.842 886 H ALA 54 H ALA 54 6.092 -3.560 -15.566 887 HA ALA 54 HA ALA 54 7.062 -2.833 -18.153 888 1HB ALA 54 1HB ALA 54 5.066 -1.170 -16.687 889 2HB ALA 54 2HB ALA 54 4.637 -2.833 -17.088 890 3HB ALA 54 3HB ALA 54 5.069 -1.698 -18.370 891 H GLN 55 H GLN 55 7.095 -1.259 -14.959 892 HA GLN 55 HA GLN 55 8.186 1.227 -15.812 893 1HB GLN 55 2HB GLN 55 8.329 -0.132 -13.155 894 2HB GLN 55 1HB GLN 55 8.793 1.524 -13.436 895 1HG GLN 55 2HG GLN 55 6.120 0.315 -13.111 896 2HG GLN 55 1HG GLN 55 6.669 1.934 -12.720 897 1HE2 GLN 55 1HE2 GLN 55 4.895 0.083 -14.896 898 2HE2 GLN 55 2HE2 GLN 55 4.647 1.267 -16.087 899 H ALA 56 H ALA 56 9.382 -1.877 -14.972 900 HA ALA 56 HA ALA 56 12.117 -1.248 -14.547 901 1HB ALA 56 1HB ALA 56 11.782 -3.867 -15.734 902 2HB ALA 56 2HB ALA 56 10.555 -3.585 -14.502 903 3HB ALA 56 3HB ALA 56 12.263 -3.441 -14.094 904 HA PRO 57 HA PRO 57 13.707 -0.834 -18.589 905 1HB PRO 57 2HB PRO 57 16.142 -2.288 -18.076 906 2HB PRO 57 1HB PRO 57 15.871 -0.543 -17.988 907 1HG PRO 57 2HG PRO 57 16.429 -2.134 -15.834 908 2HG PRO 57 1HG PRO 57 15.593 -0.573 -15.747 909 1HD PRO 57 2HD PRO 57 14.425 -3.338 -15.755 910 2HD PRO 57 1HD PRO 57 13.973 -1.924 -14.770 911 H LYS 58 H LYS 58 14.886 -2.072 -20.411 912 HA LYS 58 HA LYS 58 14.026 -4.875 -20.576 913 1HB LYS 58 2HB LYS 58 13.197 -2.597 -22.248 914 2HB LYS 58 1HB LYS 58 13.562 -4.085 -23.096 915 1HG LYS 58 2HG LYS 58 11.340 -4.495 -22.623 916 2HG LYS 58 1HG LYS 58 12.043 -5.117 -21.132 917 1HD LYS 58 2HD LYS 58 11.801 -2.531 -20.414 918 2HD LYS 58 1HD LYS 58 10.505 -2.597 -21.605 919 1HE LYS 58 2HE LYS 58 9.437 -4.432 -20.424 920 2HE LYS 58 1HE LYS 58 10.794 -4.553 -19.302 921 1HZ LYS 58 1HZ LYS 58 9.112 -3.318 -18.228 922 2HZ LYS 58 2HZ LYS 58 8.869 -2.315 -19.578 923 3HZ LYS 58 3HZ LYS 58 10.306 -2.199 -18.677 Start of MODEL 26 1 1H VAL 1 1HT VAL 1 9.201 -17.578 3.361 2 2H VAL 1 2HT VAL 1 10.216 -18.053 4.638 3 3H VAL 1 3HT VAL 1 10.882 -17.609 3.139 4 HA VAL 1 HA VAL 1 11.040 -15.903 4.961 5 HB VAL 1 HB VAL 1 10.076 -14.073 3.322 6 1HG1 VAL 1 1HG1 VAL 1 12.461 -14.585 3.583 7 2HG1 VAL 1 2HG1 VAL 1 12.073 -14.359 1.879 8 3HG1 VAL 1 3HG1 VAL 1 12.295 -15.985 2.523 9 1HG2 VAL 1 1HG2 VAL 1 9.639 -14.816 1.081 10 2HG2 VAL 1 2HG2 VAL 1 8.650 -15.835 2.125 11 3HG2 VAL 1 3HG2 VAL 1 10.153 -16.461 1.450 12 H ASP 2 H ASP 2 9.982 -14.801 6.493 13 HA ASP 2 HA ASP 2 7.329 -15.433 7.216 14 1HB ASP 2 2HB ASP 2 7.593 -13.705 8.926 15 2HB ASP 2 1HB ASP 2 9.056 -14.679 8.818 16 H ASN 3 H ASN 3 8.720 -12.713 5.462 17 HA ASN 3 HA ASN 3 7.817 -10.980 4.275 18 1HB ASN 3 2HB ASN 3 5.427 -12.830 4.038 19 2HB ASN 3 1HB ASN 3 5.773 -11.442 3.011 20 1HD2 ASN 3 1HD2 ASN 3 8.456 -11.706 2.411 21 2HD2 ASN 3 2HD2 ASN 3 8.747 -13.183 1.630 22 H LYS 4 H LYS 4 7.258 -11.262 7.249 23 HA LYS 4 HA LYS 4 4.706 -10.203 7.846 24 1HB LYS 4 2HB LYS 4 6.377 -11.225 9.467 25 2HB LYS 4 1HB LYS 4 7.244 -9.690 9.401 26 1HG LYS 4 2HG LYS 4 5.231 -8.509 10.188 27 2HG LYS 4 1HG LYS 4 4.340 -10.030 10.213 28 1HD LYS 4 2HD LYS 4 5.079 -9.674 12.459 29 2HD LYS 4 1HD LYS 4 6.130 -10.918 11.779 30 1HE LYS 4 2HE LYS 4 7.104 -8.175 11.322 31 2HE LYS 4 1HE LYS 4 7.021 -8.624 13.026 32 1HZ LYS 4 1HZ LYS 4 9.132 -9.190 11.733 33 2HZ LYS 4 2HZ LYS 4 8.220 -10.436 11.026 34 3HZ LYS 4 3HZ LYS 4 8.457 -10.402 12.707 35 H PHE 5 H PHE 5 7.828 -8.695 7.180 36 HA PHE 5 HA PHE 5 7.115 -6.031 7.574 37 1HB PHE 5 2HB PHE 5 9.157 -5.468 6.549 38 2HB PHE 5 1HB PHE 5 9.462 -7.045 7.265 39 HD1 PHE 5 1HD PHE 5 9.424 -5.116 4.228 40 HD2 PHE 5 2HD PHE 5 9.213 -9.130 5.762 41 HE1 PHE 5 1HE PHE 5 10.029 -6.006 1.995 42 HE2 PHE 5 2HE PHE 5 9.817 -10.014 3.526 43 HZ PHE 5 HZ PHE 5 10.225 -8.454 1.644 44 H ASN 6 H ASN 6 6.843 -8.166 4.737 45 HA ASN 6 HA ASN 6 6.003 -6.198 2.874 46 1HB ASN 6 2HB ASN 6 6.755 -8.534 2.318 47 2HB ASN 6 1HB ASN 6 5.223 -9.117 2.961 48 1HD2 ASN 6 1HD2 ASN 6 4.419 -9.878 0.920 49 2HD2 ASN 6 2HD2 ASN 6 4.020 -8.823 -0.359 50 H LYS 7 H LYS 7 4.330 -8.354 5.100 51 HA LYS 7 HA LYS 7 1.676 -7.744 4.399 52 1HB LYS 7 2HB LYS 7 2.658 -9.609 5.955 53 2HB LYS 7 1HB LYS 7 2.568 -8.382 7.209 54 1HG LYS 7 2HG LYS 7 0.543 -9.658 7.321 55 2HG LYS 7 1HG LYS 7 0.127 -8.092 6.630 56 1HD LYS 7 2HD LYS 7 -0.234 -8.969 4.515 57 2HD LYS 7 1HD LYS 7 0.907 -10.287 4.756 58 1HE LYS 7 2HE LYS 7 -1.390 -11.142 4.703 59 2HE LYS 7 1HE LYS 7 -0.679 -11.384 6.292 60 1HZ LYS 7 1HZ LYS 7 -2.435 -10.311 7.097 61 2HZ LYS 7 2HZ LYS 7 -2.953 -9.838 5.549 62 3HZ LYS 7 3HZ LYS 7 -1.825 -8.892 6.396 63 H GLU 8 H GLU 8 3.955 -6.432 6.728 64 HA GLU 8 HA GLU 8 2.184 -4.466 7.756 65 1HB GLU 8 2HB GLU 8 5.183 -4.810 7.896 66 2HB GLU 8 1HB GLU 8 4.313 -3.512 8.731 67 1HG GLU 8 2HG GLU 8 3.054 -5.098 10.041 68 2HG GLU 8 1HG GLU 8 3.661 -6.450 9.091 69 H LEU 9 H LEU 9 4.648 -4.488 5.295 70 HA LEU 9 HA LEU 9 4.752 -1.713 4.665 71 1HB LEU 9 2HB LEU 9 6.444 -3.243 3.822 72 2HB LEU 9 1HB LEU 9 5.224 -4.202 2.992 73 HG LEU 9 HG LEU 9 4.659 -2.041 1.698 74 1HD1 LEU 9 1HD1 LEU 9 6.594 -0.936 3.431 75 2HD1 LEU 9 2HD1 LEU 9 5.858 -0.202 2.001 76 3HD1 LEU 9 3HD1 LEU 9 7.366 -1.058 1.843 77 1HD2 LEU 9 1HD2 LEU 9 7.299 -3.453 1.371 78 2HD2 LEU 9 2HD2 LEU 9 6.577 -2.389 0.162 79 3HD2 LEU 9 3HD2 LEU 9 5.757 -3.874 0.633 80 H GLY 10 H GLY 10 2.731 -4.385 3.587 81 1HA GLY 10 2HA GLY 10 1.214 -2.812 1.788 82 2HA GLY 10 1HA GLY 10 0.840 -4.436 2.338 83 H TRP 11 H TRP 11 0.882 -3.966 5.124 84 HA TRP 11 HA TRP 11 -1.713 -3.001 5.325 85 1HB TRP 11 2HB TRP 11 -0.444 -4.705 6.876 86 2HB TRP 11 1HB TRP 11 -0.260 -3.238 7.845 87 HD1 TRP 11 HD TRP 11 -2.051 -3.819 9.622 88 HE1 TRP 11 1HE TRP 11 -4.622 -4.004 9.584 89 HE3 TRP 11 3HE TRP 11 -2.972 -3.807 4.559 90 HZ2 TRP 11 2HZ TRP 11 -6.764 -4.050 7.714 91 HZ3 TRP 11 3HZ TRP 11 -5.229 -3.868 3.692 92 HH2 TRP 11 HH TRP 11 -7.168 -4.014 5.260 93 H ALA 12 H ALA 12 1.254 -1.625 6.528 94 HA ALA 12 HA ALA 12 0.065 0.587 7.694 95 1HB ALA 12 1HB ALA 12 2.319 0.368 8.222 96 2HB ALA 12 2HB ALA 12 2.393 1.667 7.028 97 3HB ALA 12 3HB ALA 12 2.777 0.013 6.559 98 H THR 13 H THR 13 1.009 -0.087 4.360 99 HA THR 13 HA THR 13 0.618 2.409 3.141 100 HB THR 13 HB THR 13 0.351 -0.440 2.277 101 HG1 THR 13 1HG THR 13 2.376 0.043 2.194 102 1HG2 THR 13 1HG2 THR 13 -1.284 0.557 0.882 103 2HG2 THR 13 2HG2 THR 13 0.195 0.528 -0.080 104 3HG2 THR 13 3HG2 THR 13 -0.325 2.030 0.686 105 H TRP 14 H TRP 14 -1.660 -0.234 3.739 106 HA TRP 14 HA TRP 14 -3.968 0.956 2.628 107 1HB TRP 14 2HB TRP 14 -3.491 -1.465 3.333 108 2HB TRP 14 1HB TRP 14 -3.915 -0.957 4.950 109 HD1 TRP 14 HD TRP 14 -6.374 -0.836 5.557 110 HE1 TRP 14 1HE TRP 14 -8.577 -1.245 4.314 111 HE3 TRP 14 3HE TRP 14 -4.664 -1.023 0.708 112 HZ2 TRP 14 2HZ TRP 14 -9.497 -1.611 1.660 113 HZ3 TRP 14 3HZ TRP 14 -6.256 -1.406 -1.107 114 HH2 TRP 14 HH TRP 14 -8.623 -1.710 -0.641 115 H GLU 15 H GLU 15 -2.764 0.798 5.955 116 HA GLU 15 HA GLU 15 -4.918 2.104 7.202 117 1HB GLU 15 2HB GLU 15 -2.007 1.862 7.998 118 2HB GLU 15 1HB GLU 15 -3.298 2.410 9.070 119 1HG GLU 15 2HG GLU 15 -4.433 0.284 8.929 120 2HG GLU 15 1HG GLU 15 -3.380 -0.269 7.628 121 H ILE 16 H ILE 16 -1.897 3.353 5.828 122 HA ILE 16 HA ILE 16 -2.271 6.092 6.589 123 HB ILE 16 HB ILE 16 -0.669 4.793 4.338 124 1HG1 ILE 16 2HG1 ILE 16 0.230 5.892 7.003 125 2HG1 ILE 16 1HG1 ILE 16 -0.025 4.200 6.693 126 1HG2 ILE 16 1HG2 ILE 16 -0.466 6.897 3.531 127 2HG2 ILE 16 2HG2 ILE 16 0.562 7.195 4.929 128 3HG2 ILE 16 3HG2 ILE 16 -1.147 7.619 4.987 129 1HD1 ILE 16 1HD1 ILE 16 2.338 5.687 6.223 130 2HD1 ILE 16 2HD1 ILE 16 1.677 5.313 4.627 131 3HD1 ILE 16 3HD1 ILE 16 2.029 4.012 5.773 132 H PHE 17 H PHE 17 -3.041 4.137 3.795 133 HA PHE 17 HA PHE 17 -4.017 6.020 1.963 134 1HB PHE 17 2HB PHE 17 -3.535 3.430 1.900 135 2HB PHE 17 1HB PHE 17 -5.233 3.311 2.286 136 HD1 PHE 17 1HD PHE 17 -2.738 4.189 -0.219 137 HD2 PHE 17 2HD PHE 17 -6.931 4.118 0.699 138 HE1 PHE 17 1HE PHE 17 -3.249 4.347 -2.623 139 HE2 PHE 17 2HE PHE 17 -7.478 4.253 -1.706 140 HZ PHE 17 HZ PHE 17 -5.602 4.370 -3.369 141 H ASN 18 H ASN 18 -5.636 4.182 4.504 142 HA ASN 18 HA ASN 18 -8.222 5.366 3.921 143 1HB ASN 18 2HB ASN 18 -7.334 3.221 5.848 144 2HB ASN 18 1HB ASN 18 -8.999 3.787 5.714 145 1HD2 ASN 18 1HD2 ASN 18 -6.742 1.571 4.398 146 2HD2 ASN 18 2HD2 ASN 18 -7.623 1.146 3.011 147 H LEU 19 H LEU 19 -5.731 6.694 5.569 148 HA LEU 19 HA LEU 19 -6.934 7.310 8.069 149 1HB LEU 19 2HB LEU 19 -4.621 8.321 6.544 150 2HB LEU 19 1HB LEU 19 -5.320 9.456 7.688 151 HG LEU 19 HG LEU 19 -4.458 6.624 8.394 152 1HD1 LEU 19 1HD1 LEU 19 -3.132 9.305 8.639 153 2HD1 LEU 19 2HD1 LEU 19 -2.498 7.838 7.903 154 3HD1 LEU 19 3HD1 LEU 19 -2.666 7.947 9.653 155 1HD2 LEU 19 1HD2 LEU 19 -6.143 8.403 9.766 156 2HD2 LEU 19 2HD2 LEU 19 -4.578 8.584 10.546 157 3HD2 LEU 19 3HD2 LEU 19 -5.337 6.992 10.437 158 HA PRO 20 HA PRO 20 -9.949 10.140 6.518 159 1HB PRO 20 2HB PRO 20 -10.371 11.247 9.154 160 2HB PRO 20 1HB PRO 20 -11.366 10.083 8.269 161 1HG PRO 20 2HG PRO 20 -9.944 9.524 10.527 162 2HG PRO 20 1HG PRO 20 -10.418 8.320 9.317 163 1HD PRO 20 2HD PRO 20 -7.780 9.670 9.696 164 2HD PRO 20 1HD PRO 20 -8.133 7.993 9.257 165 H ASN 21 H ASN 21 -6.902 11.394 7.227 166 HA ASN 21 HA ASN 21 -7.949 14.085 6.539 167 1HB ASN 21 2HB ASN 21 -6.223 13.659 8.973 168 2HB ASN 21 1HB ASN 21 -6.674 15.214 8.306 169 1HD2 ASN 21 1HD2 ASN 21 -7.671 12.744 10.472 170 2HD2 ASN 21 2HD2 ASN 21 -9.245 13.316 10.743 171 H LEU 22 H LEU 22 -5.702 11.787 5.838 172 HA LEU 22 HA LEU 22 -3.429 13.505 5.463 173 1HB LEU 22 2HB LEU 22 -4.011 10.734 4.444 174 2HB LEU 22 1HB LEU 22 -2.474 11.576 4.221 175 HG LEU 22 HG LEU 22 -3.778 10.980 6.887 176 1HD1 LEU 22 1HD1 LEU 22 -2.913 8.958 6.053 177 2HD1 LEU 22 2HD1 LEU 22 -1.665 9.585 7.123 178 3HD1 LEU 22 3HD1 LEU 22 -1.491 9.741 5.377 179 1HD2 LEU 22 1HD2 LEU 22 -2.522 12.899 7.311 180 2HD2 LEU 22 2HD2 LEU 22 -1.350 12.521 6.038 181 3HD2 LEU 22 3HD2 LEU 22 -1.316 11.637 7.558 182 H ASN 23 H ASN 23 -2.494 14.245 3.637 183 HA ASN 23 HA ASN 23 -4.304 15.082 1.555 184 1HB ASN 23 2HB ASN 23 -2.690 16.677 2.328 185 2HB ASN 23 1HB ASN 23 -1.368 15.533 2.131 186 1HD2 ASN 23 1HD2 ASN 23 -3.796 17.373 0.275 187 2HD2 ASN 23 2HD2 ASN 23 -2.887 17.428 -1.158 188 H GLY 24 H GLY 24 -4.091 14.540 -0.659 189 1HA GLY 24 2HA GLY 24 -3.714 11.898 -1.340 190 2HA GLY 24 1HA GLY 24 -3.584 13.225 -2.491 191 H VAL 25 H VAL 25 -1.342 14.548 -1.599 192 HA VAL 25 HA VAL 25 0.762 12.900 -2.609 193 HB VAL 25 HB VAL 25 0.837 15.609 -1.288 194 1HG1 VAL 25 1HG1 VAL 25 3.021 14.778 -0.984 195 2HG1 VAL 25 2HG1 VAL 25 3.127 15.623 -2.530 196 3HG1 VAL 25 3HG1 VAL 25 2.973 13.865 -2.495 197 1HG2 VAL 25 1HG2 VAL 25 -0.337 15.659 -3.402 198 2HG2 VAL 25 2HG2 VAL 25 0.876 14.620 -4.153 199 3HG2 VAL 25 3HG2 VAL 25 1.289 16.276 -3.702 200 H GLN 26 H GLN 26 -0.099 14.017 0.708 201 HA GLN 26 HA GLN 26 2.204 12.993 1.951 202 1HB GLN 26 2HB GLN 26 -0.480 13.818 2.839 203 2HB GLN 26 1HB GLN 26 0.339 12.668 3.890 204 1HG GLN 26 2HG GLN 26 2.046 14.131 4.425 205 2HG GLN 26 1HG GLN 26 1.957 14.966 2.866 206 1HE2 GLN 26 1HE2 GLN 26 -0.163 14.411 5.705 207 2HE2 GLN 26 2HE2 GLN 26 -0.748 16.001 5.766 208 H VAL 27 H VAL 27 -0.877 11.450 1.155 209 HA VAL 27 HA VAL 27 -0.327 8.955 2.400 210 HB VAL 27 HB VAL 27 -2.053 9.554 -0.025 211 1HG1 VAL 27 1HG1 VAL 27 -1.846 7.132 1.792 212 2HG1 VAL 27 2HG1 VAL 27 -1.531 7.184 0.055 213 3HG1 VAL 27 3HG1 VAL 27 -3.172 7.400 0.658 214 1HG2 VAL 27 1HG2 VAL 27 -3.890 9.660 1.545 215 2HG2 VAL 27 2HG2 VAL 27 -2.632 10.733 2.150 216 3HG2 VAL 27 3HG2 VAL 27 -2.854 9.145 2.877 217 H LYS 28 H LYS 28 0.187 10.166 -0.883 218 HA LYS 28 HA LYS 28 1.399 7.844 -1.947 219 1HB LYS 28 2HB LYS 28 1.534 10.762 -2.750 220 2HB LYS 28 1HB LYS 28 2.388 9.495 -3.636 221 1HG LYS 28 2HG LYS 28 0.102 8.285 -3.729 222 2HG LYS 28 1HG LYS 28 -0.594 9.830 -3.268 223 1HD LYS 28 2HD LYS 28 1.183 9.365 -5.686 224 2HD LYS 28 1HD LYS 28 -0.571 9.518 -5.731 225 1HE LYS 28 2HE LYS 28 1.391 11.654 -4.834 226 2HE LYS 28 1HE LYS 28 0.447 11.658 -6.322 227 1HZ LYS 28 1HZ LYS 28 -1.577 11.662 -4.972 228 2HZ LYS 28 2HZ LYS 28 -0.611 13.026 -4.665 229 3HZ LYS 28 3HZ LYS 28 -0.638 11.736 -3.560 230 H ALA 29 H ALA 29 2.633 10.536 -0.092 231 HA ALA 29 HA ALA 29 5.394 10.057 -0.508 232 1HB ALA 29 1HB ALA 29 4.175 11.342 1.909 233 2HB ALA 29 2HB ALA 29 4.308 12.183 0.363 234 3HB ALA 29 3HB ALA 29 5.761 11.639 1.200 235 H PHE 30 H PHE 30 3.097 9.154 2.008 236 HA PHE 30 HA PHE 30 4.952 7.848 3.638 237 1HB PHE 30 2HB PHE 30 1.976 7.443 3.340 238 2HB PHE 30 1HB PHE 30 2.969 6.773 4.631 239 HD1 PHE 30 1HD PHE 30 4.765 8.889 5.456 240 HD2 PHE 30 2HD PHE 30 0.641 9.199 4.207 241 HE1 PHE 30 1HE PHE 30 4.517 10.989 6.719 242 HE2 PHE 30 2HE PHE 30 0.425 11.282 5.496 243 HZ PHE 30 HZ PHE 30 2.355 12.168 6.737 244 H ILE 31 H ILE 31 2.936 6.921 0.908 245 HA ILE 31 HA ILE 31 3.567 4.165 0.933 246 HB ILE 31 HB ILE 31 2.560 6.034 -1.198 247 1HG1 ILE 31 2HG1 ILE 31 1.457 3.471 0.016 248 2HG1 ILE 31 1HG1 ILE 31 1.007 5.097 0.512 249 1HG2 ILE 31 1HG2 ILE 31 3.703 3.254 -1.597 250 2HG2 ILE 31 2HG2 ILE 31 3.941 4.693 -2.582 251 3HG2 ILE 31 3HG2 ILE 31 2.401 3.840 -2.629 252 1HD1 ILE 31 1HD1 ILE 31 0.639 4.025 -2.297 253 2HD1 ILE 31 2HD1 ILE 31 0.040 5.557 -1.661 254 3HD1 ILE 31 3HD1 ILE 31 -0.628 4.032 -1.069 255 H ASP 32 H ASP 32 4.936 6.941 -0.756 256 HA ASP 32 HA ASP 32 6.943 5.613 -2.142 257 1HB ASP 32 2HB ASP 32 6.256 8.001 -2.476 258 2HB ASP 32 1HB ASP 32 7.145 8.405 -1.010 259 H SER 33 H SER 33 6.955 6.957 1.070 260 HA SER 33 HA SER 33 9.676 6.409 1.699 261 1HB SER 33 2HB SER 33 7.255 6.783 3.489 262 2HB SER 33 1HB SER 33 8.937 6.774 4.033 263 HG SER 33 HG SER 33 7.877 8.516 2.058 264 H LEU 34 H LEU 34 6.667 4.671 1.977 265 HA LEU 34 HA LEU 34 7.440 2.396 3.516 266 1HB LEU 34 2HB LEU 34 5.248 3.281 1.765 267 2HB LEU 34 1HB LEU 34 5.522 1.571 1.750 268 HG LEU 34 HG LEU 34 5.566 2.633 4.434 269 1HD1 LEU 34 1HD1 LEU 34 3.291 3.277 2.623 270 2HD1 LEU 34 2HD1 LEU 34 3.892 4.169 4.017 271 3HD1 LEU 34 3HD1 LEU 34 2.907 2.730 4.250 272 1HD2 LEU 34 1HD2 LEU 34 5.388 0.328 4.121 273 2HD2 LEU 34 2HD2 LEU 34 4.169 0.485 2.879 274 3HD2 LEU 34 3HD2 LEU 34 3.759 0.801 4.567 275 H ARG 35 H ARG 35 7.173 2.852 0.004 276 HA ARG 35 HA ARG 35 8.288 0.334 -0.729 277 1HB ARG 35 2HB ARG 35 8.932 2.393 -2.683 278 2HB ARG 35 1HB ARG 35 7.857 1.007 -2.839 279 1HG ARG 35 2HG ARG 35 6.144 2.327 -1.543 280 2HG ARG 35 1HG ARG 35 7.217 3.706 -1.681 281 1HD ARG 35 2HD ARG 35 5.273 2.739 -3.553 282 2HD ARG 35 1HD ARG 35 6.230 4.210 -3.612 283 HE ARG 35 HE ARG 35 7.825 3.074 -4.916 284 1HH1 ARG 35 1HH1 ARG 35 5.919 0.680 -3.508 285 2HH1 ARG 35 2HH1 ARG 35 5.880 -0.353 -4.905 286 1HH2 ARG 35 1HH2 ARG 35 7.441 1.967 -6.961 287 2HH2 ARG 35 2HH2 ARG 35 6.758 0.379 -6.861 288 H ASP 36 H ASP 36 9.715 3.547 -0.372 289 HA ASP 36 HA ASP 36 12.362 2.923 -1.093 290 1HB ASP 36 2HB ASP 36 11.405 5.222 -0.889 291 2HB ASP 36 1HB ASP 36 11.460 5.011 0.849 292 H ASP 37 H ASP 37 10.575 2.697 1.879 293 HA ASP 37 HA ASP 37 12.599 0.965 3.032 294 1HB ASP 37 2HB ASP 37 13.156 3.391 3.692 295 2HB ASP 37 1HB ASP 37 11.692 3.336 4.669 296 HA PRO 38 HA PRO 38 8.424 -0.466 3.914 297 1HB PRO 38 2HB PRO 38 9.490 -3.120 3.982 298 2HB PRO 38 1HB PRO 38 8.430 -2.388 2.790 299 1HG PRO 38 2HG PRO 38 11.063 -3.135 2.392 300 2HG PRO 38 1HG PRO 38 10.108 -2.072 1.349 301 1HD PRO 38 2HD PRO 38 12.222 -1.375 3.300 302 2HD PRO 38 1HD PRO 38 11.658 -0.486 1.867 303 H SER 39 H SER 39 11.429 -1.267 5.521 304 HA SER 39 HA SER 39 10.338 -2.485 7.836 305 1HB SER 39 2HB SER 39 12.878 -0.835 7.662 306 2HB SER 39 1HB SER 39 12.489 -2.057 8.869 307 HG SER 39 HG SER 39 13.036 -2.370 6.113 308 H GLN 40 H GLN 40 10.768 0.757 6.724 309 HA GLN 40 HA GLN 40 10.128 2.048 9.227 310 1HB GLN 40 2HB GLN 40 11.713 2.903 7.398 311 2HB GLN 40 1HB GLN 40 10.263 3.307 6.487 312 1HG GLN 40 2HG GLN 40 9.509 4.769 8.313 313 2HG GLN 40 1HG GLN 40 10.931 4.339 9.261 314 1HE2 GLN 40 1HE2 GLN 40 12.804 5.577 8.897 315 2HE2 GLN 40 2HE2 GLN 40 12.982 6.684 7.623 316 H SER 41 H SER 41 8.268 0.460 6.966 317 HA SER 41 HA SER 41 6.170 2.069 6.243 318 1HB SER 41 2HB SER 41 4.823 0.026 6.176 319 2HB SER 41 1HB SER 41 6.452 -0.313 5.608 320 HG SER 41 HG SER 41 6.864 -1.412 7.409 321 H ALA 42 H ALA 42 6.655 0.511 9.383 322 HA ALA 42 HA ALA 42 4.126 1.106 10.529 323 1HB ALA 42 1HB ALA 42 5.792 -0.545 11.408 324 2HB ALA 42 2HB ALA 42 5.222 0.594 12.630 325 3HB ALA 42 3HB ALA 42 6.810 0.817 11.884 326 H ASN 43 H ASN 43 7.207 2.709 10.358 327 HA ASN 43 HA ASN 43 6.687 4.836 12.124 328 1HB ASN 43 2HB ASN 43 8.711 4.056 10.119 329 2HB ASN 43 1HB ASN 43 8.635 5.773 10.528 330 1HD2 ASN 43 1HD2 ASN 43 9.975 2.808 11.492 331 2HD2 ASN 43 2HD2 ASN 43 10.403 3.234 13.078 332 H LEU 44 H LEU 44 6.275 4.332 8.725 333 HA LEU 44 HA LEU 44 5.670 7.021 7.989 334 1HB LEU 44 2HB LEU 44 5.175 4.363 6.612 335 2HB LEU 44 1HB LEU 44 5.138 5.960 5.837 336 HG LEU 44 HG LEU 44 7.512 5.037 7.439 337 1HD1 LEU 44 1HD1 LEU 44 7.657 3.434 5.852 338 2HD1 LEU 44 2HD1 LEU 44 8.499 4.750 5.039 339 3HD1 LEU 44 3HD1 LEU 44 6.819 4.392 4.633 340 1HD2 LEU 44 1HD2 LEU 44 7.387 7.348 7.173 341 2HD2 LEU 44 2HD2 LEU 44 6.956 7.202 5.471 342 3HD2 LEU 44 3HD2 LEU 44 8.581 6.781 6.008 343 H LEU 45 H LEU 45 4.012 4.172 8.823 344 HA LEU 45 HA LEU 45 1.339 5.060 8.435 345 1HB LEU 45 2HB LEU 45 1.658 2.717 8.696 346 2HB LEU 45 1HB LEU 45 2.618 2.927 10.152 347 HG LEU 45 HG LEU 45 0.633 3.716 11.368 348 1HD1 LEU 45 1HD1 LEU 45 -0.640 3.454 8.648 349 2HD1 LEU 45 2HD1 LEU 45 -0.708 4.808 9.775 350 3HD1 LEU 45 3HD1 LEU 45 -1.613 3.333 10.113 351 1HD2 LEU 45 1HD2 LEU 45 0.251 1.119 9.850 352 2HD2 LEU 45 2HD2 LEU 45 -0.649 1.569 11.298 353 3HD2 LEU 45 3HD2 LEU 45 1.097 1.336 11.383 354 H ALA 46 H ALA 46 3.693 5.211 10.970 355 HA ALA 46 HA ALA 46 2.113 6.350 13.003 356 1HB ALA 46 1HB ALA 46 4.516 5.298 13.087 357 2HB ALA 46 2HB ALA 46 4.120 6.625 14.176 358 3HB ALA 46 3HB ALA 46 5.034 6.938 12.696 359 H GLU 47 H GLU 47 4.280 7.645 10.592 360 HA GLU 47 HA GLU 47 4.092 10.361 11.203 361 1HB GLU 47 2HB GLU 47 4.760 8.737 8.785 362 2HB GLU 47 1HB GLU 47 4.667 10.493 8.666 363 1HG GLU 47 2HG GLU 47 6.543 8.817 10.323 364 2HG GLU 47 1HG GLU 47 6.938 9.956 9.043 365 H ALA 48 H ALA 48 2.209 8.185 9.233 366 HA ALA 48 HA ALA 48 0.624 10.150 7.976 367 1HB ALA 48 1HB ALA 48 1.039 7.415 7.835 368 2HB ALA 48 2HB ALA 48 -0.105 8.342 6.874 369 3HB ALA 48 3HB ALA 48 -0.626 7.562 8.364 370 H LYS 49 H LYS 49 0.155 8.030 10.790 371 HA LYS 49 HA LYS 49 -2.398 8.981 11.517 372 1HB LYS 49 2HB LYS 49 -0.153 7.764 13.138 373 2HB LYS 49 1HB LYS 49 -1.712 8.197 13.841 374 1HG LYS 49 2HG LYS 49 -2.856 6.741 12.202 375 2HG LYS 49 1HG LYS 49 -1.298 6.291 11.516 376 1HD LYS 49 2HD LYS 49 -0.609 5.351 13.701 377 2HD LYS 49 1HD LYS 49 -2.180 5.787 14.376 378 1HE LYS 49 2HE LYS 49 -3.228 4.029 13.385 379 2HE LYS 49 1HE LYS 49 -2.347 4.238 11.873 380 1HZ LYS 49 1HZ LYS 49 -1.750 2.163 12.923 381 2HZ LYS 49 2HZ LYS 49 -1.297 2.972 14.347 382 3HZ LYS 49 3HZ LYS 49 -0.414 3.206 12.915 383 H LYS 50 H LYS 50 0.847 10.213 11.926 384 HA LYS 50 HA LYS 50 0.151 12.219 13.826 385 1HB LYS 50 2HB LYS 50 2.573 11.722 12.113 386 2HB LYS 50 1HB LYS 50 2.428 13.166 13.117 387 1HG LYS 50 2HG LYS 50 2.178 11.793 15.116 388 2HG LYS 50 1HG LYS 50 2.200 10.325 14.147 389 1HD LYS 50 2HD LYS 50 4.502 11.259 13.279 390 2HD LYS 50 1HD LYS 50 4.449 12.227 14.752 391 1HE LYS 50 2HE LYS 50 5.219 10.446 15.895 392 2HE LYS 50 1HE LYS 50 3.719 9.599 15.512 393 1HZ LYS 50 1HZ LYS 50 5.684 8.380 14.759 394 2HZ LYS 50 2HZ LYS 50 6.125 9.690 13.769 395 3HZ LYS 50 3HZ LYS 50 4.694 8.830 13.457 396 H LEU 51 H LEU 51 0.613 12.073 10.364 397 HA LEU 51 HA LEU 51 0.202 14.842 9.927 398 1HB LEU 51 2HB LEU 51 0.478 12.435 8.216 399 2HB LEU 51 1HB LEU 51 -0.417 13.784 7.525 400 HG LEU 51 HG LEU 51 1.883 14.041 6.910 401 1HD1 LEU 51 1HD1 LEU 51 2.093 16.260 7.412 402 2HD1 LEU 51 2HD1 LEU 51 1.779 16.016 9.129 403 3HD1 LEU 51 3HD1 LEU 51 0.441 16.017 7.980 404 1HD2 LEU 51 1HD2 LEU 51 2.372 13.466 9.817 405 2HD2 LEU 51 2HD2 LEU 51 3.534 14.450 8.925 406 3HD2 LEU 51 3HD2 LEU 51 3.187 12.809 8.398 407 H ASN 52 H ASN 52 -1.818 11.994 9.801 408 HA ASN 52 HA ASN 52 -4.194 13.209 8.904 409 1HB ASN 52 2HB ASN 52 -4.128 10.868 8.814 410 2HB ASN 52 1HB ASN 52 -3.589 10.712 10.478 411 1HD2 ASN 52 1HD2 ASN 52 -5.223 10.353 12.012 412 2HD2 ASN 52 2HD2 ASN 52 -6.881 10.544 11.704 413 H ASP 53 H ASP 53 -2.869 12.486 12.104 414 HA ASP 53 HA ASP 53 -5.013 13.536 13.587 415 1HB ASP 53 2HB ASP 53 -3.366 12.070 14.611 416 2HB ASP 53 1HB ASP 53 -2.111 13.285 14.375 417 H ALA 54 H ALA 54 -2.046 14.957 12.354 418 HA ALA 54 HA ALA 54 -2.309 17.505 13.532 419 1HB ALA 54 1HB ALA 54 -0.177 16.891 12.652 420 2HB ALA 54 2HB ALA 54 -0.773 18.188 11.615 421 3HB ALA 54 3HB ALA 54 -0.864 16.512 11.074 422 H GLN 55 H GLN 55 -3.448 16.050 10.534 423 HA GLN 55 HA GLN 55 -4.711 18.518 9.618 424 1HB GLN 55 2HB GLN 55 -4.495 15.715 8.515 425 2HB GLN 55 1HB GLN 55 -5.448 16.983 7.732 426 1HG GLN 55 2HG GLN 55 -3.515 18.358 7.392 427 2HG GLN 55 1HG GLN 55 -2.528 17.353 8.451 428 1HE2 GLN 55 1HE2 GLN 55 -2.427 14.941 7.668 429 2HE2 GLN 55 2HE2 GLN 55 -2.220 14.719 5.999 430 H ALA 56 H ALA 56 -5.480 16.297 11.908 431 HA ALA 56 HA ALA 56 -8.234 15.768 11.272 432 1HB ALA 56 1HB ALA 56 -6.964 15.583 14.009 433 2HB ALA 56 2HB ALA 56 -6.750 14.338 12.781 434 3HB ALA 56 3HB ALA 56 -8.361 14.698 13.398 435 HA PRO 57 HA PRO 57 -10.098 19.349 12.966 436 1HB PRO 57 2HB PRO 57 -12.415 17.899 13.904 437 2HB PRO 57 1HB PRO 57 -12.220 18.788 12.387 438 1HG PRO 57 2HG PRO 57 -12.532 16.095 12.540 439 2HG PRO 57 1HG PRO 57 -11.675 16.916 11.222 440 1HD PRO 57 2HD PRO 57 -10.540 15.620 13.680 441 2HD PRO 57 1HD PRO 57 -10.012 15.460 11.985 442 H LYS 58 H LYS 58 -11.445 20.116 14.947 443 HA LYS 58 HA LYS 58 -9.869 19.824 17.286 444 1HB LYS 58 2HB LYS 58 -12.618 20.989 17.085 445 2HB LYS 58 1HB LYS 58 -11.444 21.300 18.346 446 1HG LYS 58 2HG LYS 58 -10.464 22.921 17.124 447 2HG LYS 58 1HG LYS 58 -10.265 21.839 15.750 448 1HD LYS 58 2HD LYS 58 -12.960 23.065 16.346 449 2HD LYS 58 1HD LYS 58 -11.740 23.981 15.466 450 1HE LYS 58 2HE LYS 58 -12.930 22.934 13.735 451 2HE LYS 58 1HE LYS 58 -11.560 21.848 13.961 452 1HZ LYS 58 1HZ LYS 58 -13.740 20.711 13.842 453 2HZ LYS 58 2HZ LYS 58 -14.199 21.496 15.277 454 3HZ LYS 58 3HZ LYS 58 -12.900 20.401 15.282 455 1H VAL 1 1HT VAL 1 -16.104 -5.465 0.464 456 2H VAL 1 2HT VAL 1 -14.801 -6.393 -0.106 457 3H VAL 1 3HT VAL 1 -14.993 -4.785 -0.624 458 HA VAL 1 HA VAL 1 -13.244 -4.891 0.998 459 HB VAL 1 HB VAL 1 -14.822 -2.929 0.923 460 1HG1 VAL 1 1HG1 VAL 1 -16.077 -4.156 3.394 461 2HG1 VAL 1 2HG1 VAL 1 -16.807 -4.276 1.792 462 3HG1 VAL 1 3HG1 VAL 1 -16.575 -2.697 2.538 463 1HG2 VAL 1 1HG2 VAL 1 -13.761 -3.605 3.689 464 2HG2 VAL 1 2HG2 VAL 1 -14.089 -1.990 3.062 465 3HG2 VAL 1 3HG2 VAL 1 -12.789 -2.956 2.368 466 H ASP 2 H ASP 2 -16.245 -6.423 1.970 467 HA ASP 2 HA ASP 2 -15.186 -7.340 4.523 468 1HB ASP 2 2HB ASP 2 -17.790 -8.042 3.144 469 2HB ASP 2 1HB ASP 2 -17.385 -8.323 4.837 470 H ASN 3 H ASN 3 -14.510 -8.260 1.504 471 HA ASN 3 HA ASN 3 -14.980 -11.029 1.402 472 1HB ASN 3 2HB ASN 3 -12.714 -9.464 0.141 473 2HB ASN 3 1HB ASN 3 -13.259 -11.069 -0.340 474 1HD2 ASN 3 1HD2 ASN 3 -15.973 -10.900 -0.516 475 2HD2 ASN 3 2HD2 ASN 3 -16.449 -9.670 -1.585 476 H LYS 4 H LYS 4 -13.452 -12.775 1.644 477 HA LYS 4 HA LYS 4 -12.042 -12.722 4.107 478 1HB LYS 4 2HB LYS 4 -11.220 -14.992 3.400 479 2HB LYS 4 1HB LYS 4 -12.972 -14.811 3.371 480 1HG LYS 4 2HG LYS 4 -13.028 -15.314 1.176 481 2HG LYS 4 1HG LYS 4 -11.924 -13.997 0.814 482 1HD LYS 4 2HD LYS 4 -10.952 -16.666 1.860 483 2HD LYS 4 1HD LYS 4 -11.154 -16.346 0.139 484 1HE LYS 4 2HE LYS 4 -9.711 -14.157 0.849 485 2HE LYS 4 1HE LYS 4 -9.102 -15.316 2.026 486 1HZ LYS 4 1HZ LYS 4 -9.050 -16.803 -0.157 487 2HZ LYS 4 2HZ LYS 4 -7.744 -15.826 0.318 488 3HZ LYS 4 3HZ LYS 4 -8.827 -15.281 -0.872 489 H PHE 5 H PHE 5 -11.226 -11.530 1.126 490 HA PHE 5 HA PHE 5 -8.455 -12.123 1.030 491 1HB PHE 5 2HB PHE 5 -10.249 -10.177 -0.403 492 2HB PHE 5 1HB PHE 5 -8.501 -10.185 -0.663 493 HD1 PHE 5 1HD PHE 5 -7.600 -11.646 -2.253 494 HD2 PHE 5 2HD PHE 5 -11.411 -12.531 -0.474 495 HE1 PHE 5 1HE PHE 5 -7.816 -13.633 -3.714 496 HE2 PHE 5 2HE PHE 5 -11.632 -14.516 -1.950 497 HZ PHE 5 HZ PHE 5 -9.825 -15.069 -3.558 498 H ASN 6 H ASN 6 -9.908 -10.427 3.379 499 HA ASN 6 HA ASN 6 -8.577 -7.948 3.493 500 1HB ASN 6 2HB ASN 6 -8.907 -8.034 5.917 501 2HB ASN 6 1HB ASN 6 -10.355 -8.579 5.085 502 1HD2 ASN 6 1HD2 ASN 6 -9.052 -11.298 4.502 503 2HD2 ASN 6 2HD2 ASN 6 -9.114 -12.112 5.988 504 H LYS 7 H LYS 7 -7.491 -11.178 4.409 505 HA LYS 7 HA LYS 7 -4.915 -10.340 5.372 506 1HB LYS 7 2HB LYS 7 -5.946 -12.436 6.133 507 2HB LYS 7 1HB LYS 7 -5.953 -13.048 4.480 508 1HG LYS 7 2HG LYS 7 -3.517 -13.017 4.403 509 2HG LYS 7 1HG LYS 7 -3.440 -12.252 5.990 510 1HD LYS 7 2HD LYS 7 -3.042 -14.538 6.449 511 2HD LYS 7 1HD LYS 7 -4.748 -14.326 6.836 512 1HE LYS 7 2HE LYS 7 -4.637 -16.319 5.529 513 2HE LYS 7 1HE LYS 7 -5.233 -15.080 4.427 514 1HZ LYS 7 1HZ LYS 7 -2.392 -15.138 4.465 515 2HZ LYS 7 2HZ LYS 7 -3.454 -15.318 3.150 516 3HZ LYS 7 3HZ LYS 7 -3.015 -16.669 4.083 517 H GLU 8 H GLU 8 -6.180 -11.842 2.441 518 HA GLU 8 HA GLU 8 -3.806 -12.077 0.954 519 1HB GLU 8 2HB GLU 8 -6.662 -11.651 0.001 520 2HB GLU 8 1HB GLU 8 -5.331 -12.240 -0.996 521 1HG GLU 8 2HG GLU 8 -6.505 -13.608 1.447 522 2HG GLU 8 1HG GLU 8 -6.671 -14.133 -0.230 523 H ARG 9 H ARG 9 -6.018 -9.424 1.434 524 HA ARG 9 HA ARG 9 -5.193 -7.764 -0.693 525 1HB ARG 9 2HB ARG 9 -7.337 -7.560 0.555 526 2HB ARG 9 1HB ARG 9 -6.437 -7.000 1.964 527 1HG ARG 9 2HG ARG 9 -5.466 -5.291 0.100 528 2HG ARG 9 1HG ARG 9 -7.058 -5.603 -0.583 529 1HD ARG 9 2HD ARG 9 -6.543 -4.719 2.264 530 2HD ARG 9 1HD ARG 9 -7.069 -3.669 0.963 531 HE ARG 9 HE ARG 9 -8.665 -5.746 2.269 532 1HH1 ARG 9 1HH2 ARG 9 -8.543 -4.354 -0.782 533 2HH1 ARG 9 2HH2 ARG 9 -10.158 -3.734 -0.768 534 1HH2 ARG 9 1HH1 ARG 9 -10.695 -4.472 2.571 535 2HH2 ARG 9 2HH1 ARG 9 -11.373 -3.798 1.128 536 H VAL 10 H VAL 10 -4.341 -7.913 2.757 537 HA VAL 10 HA VAL 10 -2.650 -5.684 2.899 538 HB VAL 10 HB VAL 10 -2.291 -8.235 4.440 539 1HG1 VAL 10 1HG1 VAL 10 -1.337 -5.445 4.758 540 2HG1 VAL 10 2HG1 VAL 10 -0.514 -6.969 5.079 541 3HG1 VAL 10 3HG1 VAL 10 -1.718 -6.361 6.220 542 1HG2 VAL 10 1HG2 VAL 10 -4.620 -6.585 4.358 543 2HG2 VAL 10 2HG2 VAL 10 -3.831 -6.331 5.924 544 3HG2 VAL 10 3HG2 VAL 10 -4.288 -7.956 5.415 545 H ILE 11 H ILE 11 -2.041 -9.010 1.948 546 HA ILE 11 HA ILE 11 0.791 -8.764 1.747 547 HB ILE 11 HB ILE 11 -0.921 -10.724 0.214 548 1HG1 ILE 11 2HG1 ILE 11 -0.909 -10.320 3.034 549 2HG1 ILE 11 1HG1 ILE 11 -1.641 -11.648 2.146 550 1HG2 ILE 11 1HG2 ILE 11 1.862 -10.867 1.432 551 2HG2 ILE 11 2HG2 ILE 11 1.510 -10.643 -0.286 552 3HG2 ILE 11 3HG2 ILE 11 1.076 -12.153 0.514 553 1HD1 ILE 11 1HD1 ILE 11 1.258 -11.588 3.071 554 2HD1 ILE 11 2HD1 ILE 11 0.440 -12.939 2.283 555 3HD1 ILE 11 3HD1 ILE 11 -0.044 -12.443 3.901 556 H ALA 12 H ALA 12 -1.898 -8.399 -0.560 557 HA ALA 12 HA ALA 12 -0.286 -8.021 -2.878 558 1HB ALA 12 1HB ALA 12 -3.116 -7.232 -2.170 559 2HB ALA 12 2HB ALA 12 -2.600 -8.564 -3.203 560 3HB ALA 12 3HB ALA 12 -2.394 -6.896 -3.743 561 H ILE 13 H ILE 13 -1.801 -5.806 -0.570 562 HA ILE 13 HA ILE 13 -0.992 -3.402 -1.773 563 HB ILE 13 HB ILE 13 -1.299 -4.051 1.188 564 1HG1 ILE 13 2HG1 ILE 13 -3.275 -2.651 -0.571 565 2HG1 ILE 13 1HG1 ILE 13 -3.269 -4.404 -0.470 566 1HG2 ILE 13 1HG2 ILE 13 -1.842 -1.598 1.333 567 2HG2 ILE 13 2HG2 ILE 13 -1.257 -1.428 -0.325 568 3HG2 ILE 13 3HG2 ILE 13 -0.153 -1.932 0.945 569 1HD1 ILE 13 1HD1 ILE 13 -3.588 -2.471 1.807 570 2HD1 ILE 13 2HD1 ILE 13 -3.508 -4.215 1.995 571 3HD1 ILE 13 3HD1 ILE 13 -4.859 -3.483 1.134 572 H GLY 14 H GLY 14 0.566 -5.566 0.531 573 1HA GLY 14 2HA GLY 14 2.958 -4.103 0.895 574 2HA GLY 14 1HA GLY 14 2.756 -5.834 1.147 575 H GLU 15 H GLU 15 2.012 -6.595 -1.440 576 HA GLU 15 HA GLU 15 4.548 -6.874 -2.616 577 1HB GLU 15 2HB GLU 15 2.502 -8.408 -2.772 578 2HB GLU 15 1HB GLU 15 1.948 -7.341 -4.034 579 1HG GLU 15 2HG GLU 15 3.270 -9.388 -4.811 580 2HG GLU 15 1HG GLU 15 3.821 -7.845 -5.456 581 H ILE 16 H ILE 16 1.747 -4.798 -3.367 582 HA ILE 16 HA ILE 16 2.795 -3.728 -5.786 583 HB ILE 16 HB ILE 16 1.484 -1.855 -3.783 584 1HG1 ILE 16 2HG1 ILE 16 0.048 -3.879 -3.843 585 2HG1 ILE 16 1HG1 ILE 16 -0.737 -2.475 -4.515 586 1HG2 ILE 16 1HG2 ILE 16 0.533 -0.870 -5.842 587 2HG2 ILE 16 2HG2 ILE 16 1.373 -2.079 -6.805 588 3HG2 ILE 16 3HG2 ILE 16 2.291 -0.902 -5.871 589 1HD1 ILE 16 1HD1 ILE 16 0.666 -4.588 -6.143 590 2HD1 ILE 16 2HD1 ILE 16 -0.249 -3.209 -6.760 591 3HD1 ILE 16 3HD1 ILE 16 -1.079 -4.501 -5.890 592 H MET 17 H MET 17 3.082 -2.632 -2.475 593 HA MET 17 HA MET 17 4.867 -0.488 -2.809 594 1HB MET 17 2HB MET 17 4.469 -2.227 -0.392 595 2HB MET 17 1HB MET 17 5.069 -0.562 -0.436 596 1HG MET 17 2HG MET 17 2.356 -1.314 -1.528 597 2HG MET 17 1HG MET 17 2.584 -0.839 0.145 598 1HE MET 17 1HE MET 17 4.746 2.039 -0.276 599 2HE MET 17 2HE MET 17 4.024 0.776 0.742 600 3HE MET 17 3HE MET 17 3.205 2.335 0.542 601 H ARG 18 H ARG 18 5.416 -3.960 -2.441 602 HA ARG 18 HA ARG 18 8.185 -3.901 -1.871 603 1HB ARG 18 2HB ARG 18 6.409 -5.927 -3.137 604 2HB ARG 18 1HB ARG 18 8.128 -6.206 -3.002 605 1HG ARG 18 2HG ARG 18 6.613 -5.346 -0.570 606 2HG ARG 18 1HG ARG 18 6.471 -7.015 -1.109 607 1HD ARG 18 2HD ARG 18 9.231 -5.954 -1.027 608 2HD ARG 18 1HD ARG 18 8.437 -6.103 0.536 609 HE ARG 18 HE ARG 18 8.622 -8.398 0.338 610 1HH1 ARG 18 1HH2 ARG 18 7.066 -8.724 -2.192 611 2HH1 ARG 18 2HH2 ARG 18 8.238 -9.397 -3.273 612 1HH2 ARG 18 1HH1 ARG 18 10.948 -8.490 -1.316 613 2HH2 ARG 18 2HH1 ARG 18 10.435 -9.266 -2.777 614 H LEU 19 H LEU 19 6.344 -3.870 -4.867 615 HA LEU 19 HA LEU 19 8.446 -4.226 -6.695 616 1HB LEU 19 2HB LEU 19 5.921 -2.625 -7.038 617 2HB LEU 19 1HB LEU 19 6.945 -3.184 -8.324 618 HG LEU 19 HG LEU 19 5.578 -5.021 -6.366 619 1HD1 LEU 19 1HD1 LEU 19 3.891 -3.826 -7.649 620 2HD1 LEU 19 2HD1 LEU 19 4.002 -5.481 -8.228 621 3HD1 LEU 19 3HD1 LEU 19 4.751 -4.174 -9.148 622 1HD2 LEU 19 1HD2 LEU 19 6.484 -6.730 -7.517 623 2HD2 LEU 19 2HD2 LEU 19 7.674 -5.529 -8.007 624 3HD2 LEU 19 3HD2 LEU 19 6.321 -5.908 -9.063 625 HA PRO 20 HA PRO 20 10.320 -0.222 -5.922 626 1HB PRO 20 2HB PRO 20 12.595 -1.090 -7.462 627 2HB PRO 20 1HB PRO 20 12.459 -0.910 -5.710 628 1HG PRO 20 2HG PRO 20 12.773 -3.287 -7.021 629 2HG PRO 20 1HG PRO 20 12.074 -3.108 -5.401 630 1HD PRO 20 2HD PRO 20 10.682 -3.480 -8.025 631 2HD PRO 20 1HD PRO 20 10.288 -4.144 -6.422 632 H ASN 21 H ASN 21 9.387 -1.619 -8.924 633 HA ASN 21 HA ASN 21 10.374 0.646 -10.503 634 1HB ASN 21 2HB ASN 21 8.858 -1.791 -11.421 635 2HB ASN 21 1HB ASN 21 9.654 -0.606 -12.439 636 1HD2 ASN 21 1HD2 ASN 21 10.189 -3.595 -11.991 637 2HD2 ASN 21 2HD2 ASN 21 11.845 -3.663 -11.625 638 H LEU 22 H LEU 22 7.431 -0.312 -8.910 639 HA LEU 22 HA LEU 22 5.643 1.041 -10.690 640 1HB LEU 22 2HB LEU 22 5.231 0.335 -7.788 641 2HB LEU 22 1HB LEU 22 3.982 0.909 -8.869 642 HG LEU 22 HG LEU 22 5.483 -1.708 -8.953 643 1HD1 LEU 22 1HD1 LEU 22 3.529 -1.839 -7.587 644 2HD1 LEU 22 2HD1 LEU 22 3.038 -2.508 -9.148 645 3HD1 LEU 22 3HD1 LEU 22 2.588 -0.861 -8.711 646 1HD2 LEU 22 1HD2 LEU 22 3.948 -0.266 -11.078 647 2HD2 LEU 22 2HD2 LEU 22 4.009 -2.020 -11.048 648 3HD2 LEU 22 3HD2 LEU 22 5.503 -1.099 -11.208 649 H ASN 23 H ASN 23 4.462 2.913 -10.324 650 HA ASN 23 HA ASN 23 6.023 5.118 -9.227 651 1HB ASN 23 2HB ASN 23 5.196 5.836 -11.230 652 2HB ASN 23 1HB ASN 23 3.900 4.690 -11.232 653 1HD2 ASN 23 1HD2 ASN 23 4.776 7.536 -9.235 654 2HD2 ASN 23 2HD2 ASN 23 3.236 8.232 -9.320 655 H SER 24 H SER 24 5.013 6.652 -7.709 656 HA SER 24 HA SER 24 3.761 5.428 -5.512 657 1HB SER 24 2HB SER 24 3.336 7.714 -4.701 658 2HB SER 24 1HB SER 24 4.965 7.579 -5.354 659 HG SER 24 HG SER 24 4.412 9.128 -6.649 660 H LEU 25 H LEU 25 2.432 7.298 -8.187 661 HA LEU 25 HA LEU 25 -0.278 7.138 -7.366 662 1HB LEU 25 2HB LEU 25 1.198 8.327 -9.537 663 2HB LEU 25 1HB LEU 25 -0.229 7.528 -10.136 664 HG LEU 25 HG LEU 25 -0.171 9.519 -7.905 665 1HD1 LEU 25 1HD1 LEU 25 -1.161 9.763 -10.757 666 2HD1 LEU 25 2HD1 LEU 25 0.260 10.566 -10.088 667 3HD1 LEU 25 3HD1 LEU 25 -1.348 10.994 -9.507 668 1HD2 LEU 25 1HD2 LEU 25 -2.112 8.506 -7.367 669 2HD2 LEU 25 2HD2 LEU 25 -2.114 7.581 -8.868 670 3HD2 LEU 25 3HD2 LEU 25 -2.766 9.221 -8.841 671 H GLN 26 H GLN 26 1.779 5.167 -9.483 672 HA GLN 26 HA GLN 26 -0.273 3.567 -10.590 673 1HB GLN 26 2HB GLN 26 2.659 3.156 -10.110 674 2HB GLN 26 1HB GLN 26 1.661 1.857 -10.749 675 1HG GLN 26 2HG GLN 26 1.001 3.282 -12.643 676 2HG GLN 26 1HG GLN 26 1.988 4.605 -11.997 677 1HE2 GLN 26 1HE2 GLN 26 3.696 1.907 -11.173 678 2HE2 GLN 26 2HE2 GLN 26 4.679 1.768 -12.546 679 H VAL 27 H VAL 27 1.729 3.340 -7.736 680 HA VAL 27 HA VAL 27 0.851 0.819 -6.866 681 HB VAL 27 HB VAL 27 2.136 3.132 -5.427 682 1HG1 VAL 27 1HG1 VAL 27 1.365 2.143 -3.520 683 2HG1 VAL 27 2HG1 VAL 27 2.597 0.931 -3.852 684 3HG1 VAL 27 3HG1 VAL 27 0.930 0.651 -4.346 685 1HG2 VAL 27 1HG2 VAL 27 3.795 0.900 -5.446 686 2HG2 VAL 27 2HG2 VAL 27 3.892 2.250 -6.573 687 3HG2 VAL 27 3HG2 VAL 27 2.977 0.806 -7.007 688 H VAL 28 H VAL 28 -0.183 4.099 -6.107 689 HA VAL 28 HA VAL 28 -2.242 3.409 -4.332 690 HB VAL 28 HB VAL 28 -2.058 5.751 -6.250 691 1HG1 VAL 28 1HG1 VAL 28 -4.178 4.841 -4.626 692 2HG1 VAL 28 2HG1 VAL 28 -4.057 6.397 -5.447 693 3HG1 VAL 28 3HG1 VAL 28 -3.489 6.231 -3.785 694 1HG2 VAL 28 1HG2 VAL 28 -0.527 6.644 -4.848 695 2HG2 VAL 28 2HG2 VAL 28 -0.449 5.098 -4.004 696 3HG2 VAL 28 3HG2 VAL 28 -1.562 6.348 -3.451 697 H ALA 29 H ALA 29 -1.992 3.494 -7.840 698 HA ALA 29 HA ALA 29 -4.697 3.289 -8.549 699 1HB ALA 29 1HB ALA 29 -2.817 1.722 -10.204 700 2HB ALA 29 2HB ALA 29 -2.301 3.384 -9.913 701 3HB ALA 29 3HB ALA 29 -3.869 3.068 -10.657 702 H PHE 30 H PHE 30 -2.242 0.832 -7.808 703 HA PHE 30 HA PHE 30 -3.991 -1.354 -8.176 704 1HB PHE 30 2HB PHE 30 -1.272 -1.081 -6.849 705 2HB PHE 30 1HB PHE 30 -2.083 -2.611 -7.186 706 HD1 PHE 30 1HD PHE 30 -3.174 -2.502 -9.833 707 HD2 PHE 30 2HD PHE 30 0.441 -0.602 -8.407 708 HE1 PHE 30 1HE PHE 30 -2.325 -2.322 -12.129 709 HE2 PHE 30 2HE PHE 30 1.250 -0.451 -10.710 710 HZ PHE 30 HZ PHE 30 -0.124 -1.317 -12.579 711 H ILE 31 H ILE 31 -2.749 0.397 -5.300 712 HA ILE 31 HA ILE 31 -3.970 -1.235 -3.351 713 HB ILE 31 HB ILE 31 -3.464 1.755 -3.195 714 1HG1 ILE 31 2HG1 ILE 31 -1.659 -0.459 -2.188 715 2HG1 ILE 31 1HG1 ILE 31 -1.441 0.278 -3.767 716 1HG2 ILE 31 1HG2 ILE 31 -3.144 0.110 -0.779 717 2HG2 ILE 31 2HG2 ILE 31 -4.794 0.143 -1.378 718 3HG2 ILE 31 3HG2 ILE 31 -3.966 1.652 -0.988 719 1HD1 ILE 31 1HD1 ILE 31 -1.253 2.496 -2.741 720 2HD1 ILE 31 2HD1 ILE 31 -0.047 1.408 -2.035 721 3HD1 ILE 31 3HD1 ILE 31 -1.529 1.793 -1.143 722 H ASN 32 H ASN 32 -5.153 1.650 -5.045 723 HA ASN 32 HA ASN 32 -7.675 1.825 -3.780 724 1HB ASN 32 2HB ASN 32 -6.412 3.028 -6.140 725 2HB ASN 32 1HB ASN 32 -8.129 2.759 -6.359 726 1HD2 ASN 32 1HD2 ASN 32 -6.355 5.273 -5.738 727 2HD2 ASN 32 2HD2 ASN 32 -7.210 6.026 -4.480 728 H SER 33 H SER 33 -6.527 -0.243 -6.424 729 HA SER 33 HA SER 33 -9.157 -0.942 -7.248 730 1HB SER 33 2HB SER 33 -6.429 -1.721 -7.995 731 2HB SER 33 1HB SER 33 -7.724 -2.864 -8.360 732 HG SER 33 HG SER 33 -8.052 -0.139 -8.943 733 H LEU 34 H LEU 34 -6.867 -2.091 -4.877 734 HA LEU 34 HA LEU 34 -8.136 -4.615 -4.357 735 1HB LEU 34 2HB LEU 34 -6.861 -2.970 -2.175 736 2HB LEU 34 1HB LEU 34 -6.871 -4.711 -2.370 737 HG LEU 34 HG LEU 34 -5.337 -2.793 -4.127 738 1HD1 LEU 34 1HD1 LEU 34 -4.643 -3.200 -1.676 739 2HD1 LEU 34 2HD1 LEU 34 -3.419 -3.296 -2.947 740 3HD1 LEU 34 3HD1 LEU 34 -4.110 -4.778 -2.264 741 1HD2 LEU 34 1HD2 LEU 34 -5.930 -4.809 -5.288 742 2HD2 LEU 34 2HD2 LEU 34 -5.388 -5.783 -3.943 743 3HD2 LEU 34 3HD2 LEU 34 -4.226 -4.878 -4.888 744 H ARG 35 H ARG 35 -8.301 -1.345 -3.178 745 HA ARG 35 HA ARG 35 -10.371 -1.474 -1.266 746 1HB ARG 35 2HB ARG 35 -8.689 0.428 -2.178 747 2HB ARG 35 1HB ARG 35 -10.127 0.898 -3.064 748 1HG ARG 35 2HG ARG 35 -11.200 1.630 -1.196 749 2HG ARG 35 1HG ARG 35 -10.536 0.358 -0.175 750 1HD ARG 35 2HD ARG 35 -8.847 2.623 -1.205 751 2HD ARG 35 1HD ARG 35 -9.790 2.782 0.270 752 HE ARG 35 HE ARG 35 -8.471 0.859 1.148 753 1HH1 ARG 35 1HH2 ARG 35 -7.390 1.512 -1.961 754 2HH1 ARG 35 2HH2 ARG 35 -5.721 1.641 -1.553 755 1HH2 ARG 35 1HH1 ARG 35 -6.282 1.483 1.865 756 2HH2 ARG 35 2HH1 ARG 35 -5.084 1.593 0.621 757 H ASP 36 H ASP 36 -10.405 -0.969 -4.750 758 HA ASP 36 HA ASP 36 -13.216 -0.601 -5.043 759 1HB ASP 36 2HB ASP 36 -11.043 -1.446 -6.984 760 2HB ASP 36 1HB ASP 36 -12.697 -1.068 -7.463 761 H ASP 37 H ASP 37 -11.040 -3.366 -5.282 762 HA ASP 37 HA ASP 37 -13.220 -5.247 -4.816 763 1HB ASP 37 2HB ASP 37 -11.505 -5.539 -7.301 764 2HB ASP 37 1HB ASP 37 -12.817 -6.595 -6.786 765 HA PRO 38 HA PRO 38 -9.438 -6.498 -2.693 766 1HB PRO 38 2HB PRO 38 -11.114 -7.925 -0.850 767 2HB PRO 38 1HB PRO 38 -10.145 -6.481 -0.569 768 1HG PRO 38 2HG PRO 38 -12.908 -6.616 -0.618 769 2HG PRO 38 1HG PRO 38 -11.933 -5.146 -0.715 770 1HD PRO 38 2HD PRO 38 -13.397 -6.557 -2.858 771 2HD PRO 38 1HD PRO 38 -12.871 -4.861 -2.768 772 H SER 39 H SER 39 -12.113 -8.380 -3.876 773 HA SER 39 HA SER 39 -11.117 -10.981 -3.429 774 1HB SER 39 2HB SER 39 -12.909 -10.007 -5.670 775 2HB SER 39 1HB SER 39 -12.713 -11.677 -5.144 776 HG SER 39 HG SER 39 -13.546 -9.574 -3.431 777 H GLN 40 H GLN 40 -10.657 -8.606 -5.989 778 HA GLN 40 HA GLN 40 -8.817 -10.405 -7.350 779 1HB GLN 40 2HB GLN 40 -9.292 -7.841 -8.654 780 2HB GLN 40 1HB GLN 40 -9.378 -9.462 -9.296 781 1HG GLN 40 2HG GLN 40 -11.609 -9.765 -8.214 782 2HG GLN 40 1HG GLN 40 -11.538 -8.089 -7.676 783 1HE2 GLN 40 1HE2 GLN 40 -10.419 -6.891 -10.011 784 2HE2 GLN 40 2HE2 GLN 40 -11.542 -7.030 -11.276 785 H SER 41 H SER 41 -8.210 -8.918 -4.795 786 HA SER 41 HA SER 41 -6.558 -6.726 -5.265 787 1HB SER 41 2HB SER 41 -6.451 -8.944 -3.202 788 2HB SER 41 1HB SER 41 -5.312 -7.606 -3.176 789 HG SER 41 HG SER 41 -7.920 -7.706 -2.421 790 H ALA 42 H ALA 42 -6.050 -10.108 -5.676 791 HA ALA 42 HA ALA 42 -3.228 -10.082 -6.101 792 1HB ALA 42 1HB ALA 42 -4.682 -12.043 -5.402 793 2HB ALA 42 2HB ALA 42 -3.529 -12.374 -6.699 794 3HB ALA 42 3HB ALA 42 -5.236 -12.112 -7.076 795 H ASN 43 H ASN 43 -6.045 -9.554 -8.078 796 HA ASN 43 HA ASN 43 -4.966 -10.088 -10.625 797 1HB ASN 43 2HB ASN 43 -7.365 -9.932 -9.875 798 2HB ASN 43 1HB ASN 43 -7.170 -8.186 -10.033 799 1HD2 ASN 43 1HD2 ASN 43 -6.210 -7.505 -12.285 800 2HD2 ASN 43 2HD2 ASN 43 -6.788 -8.354 -13.636 801 H LEU 44 H LEU 44 -5.673 -6.995 -9.019 802 HA LEU 44 HA LEU 44 -4.329 -5.584 -11.055 803 1HB LEU 44 2HB LEU 44 -4.889 -3.547 -9.900 804 2HB LEU 44 1HB LEU 44 -6.284 -4.595 -9.954 805 HG LEU 44 HG LEU 44 -5.957 -3.433 -7.820 806 1HD1 LEU 44 1HD1 LEU 44 -7.032 -5.028 -6.783 807 2HD1 LEU 44 2HD1 LEU 44 -5.740 -6.209 -7.048 808 3HD1 LEU 44 3HD1 LEU 44 -6.910 -5.880 -8.317 809 1HD2 LEU 44 1HD2 LEU 44 -3.376 -3.934 -8.000 810 2HD2 LEU 44 2HD2 LEU 44 -3.875 -5.284 -6.972 811 3HD2 LEU 44 3HD2 LEU 44 -4.201 -3.630 -6.489 812 H LEU 45 H LEU 45 -3.552 -7.045 -8.071 813 HA LEU 45 HA LEU 45 -1.042 -5.766 -7.593 814 1HB LEU 45 2HB LEU 45 -1.795 -7.069 -5.765 815 2HB LEU 45 1HB LEU 45 -2.294 -8.395 -6.807 816 HG LEU 45 HG LEU 45 0.054 -8.922 -7.300 817 1HD1 LEU 45 1HD1 LEU 45 1.845 -7.771 -6.078 818 2HD1 LEU 45 2HD1 LEU 45 0.662 -6.681 -5.358 819 3HD1 LEU 45 3HD1 LEU 45 0.957 -6.646 -7.091 820 1HD2 LEU 45 1HD2 LEU 45 -0.328 -10.288 -5.551 821 2HD2 LEU 45 2HD2 LEU 45 -1.135 -9.029 -4.622 822 3HD2 LEU 45 3HD2 LEU 45 0.623 -9.147 -4.602 823 H ALA 46 H ALA 46 -2.362 -8.341 -9.475 824 HA ALA 46 HA ALA 46 0.038 -9.435 -10.516 825 1HB ALA 46 1HB ALA 46 -2.792 -9.833 -10.876 826 2HB ALA 46 2HB ALA 46 -1.472 -10.874 -11.414 827 3HB ALA 46 3HB ALA 46 -2.068 -9.591 -12.465 828 H GLU 47 H GLU 47 -2.214 -6.927 -11.524 829 HA GLU 47 HA GLU 47 -0.981 -6.118 -13.915 830 1HB GLU 47 2HB GLU 47 -2.628 -4.529 -11.924 831 2HB GLU 47 1HB GLU 47 -2.175 -3.961 -13.527 832 1HG GLU 47 2HG GLU 47 -3.935 -6.307 -12.832 833 2HG GLU 47 1HG GLU 47 -4.427 -4.801 -13.580 834 H ALA 48 H ALA 48 -0.445 -5.377 -10.541 835 HA ALA 48 HA ALA 48 1.270 -3.146 -10.866 836 1HB ALA 48 1HB ALA 48 -0.058 -4.368 -8.811 837 2HB ALA 48 2HB ALA 48 1.200 -3.150 -8.605 838 3HB ALA 48 3HB ALA 48 1.607 -4.865 -8.512 839 H LYS 49 H LYS 49 1.820 -6.551 -10.129 840 HA LYS 49 HA LYS 49 4.626 -6.378 -10.031 841 1HB LYS 49 2HB LYS 49 2.671 -8.619 -10.415 842 2HB LYS 49 1HB LYS 49 4.409 -8.914 -10.429 843 1HG LYS 49 2HG LYS 49 4.533 -7.776 -8.190 844 2HG LYS 49 1HG LYS 49 2.771 -7.706 -8.189 845 1HD LYS 49 2HD LYS 49 4.371 -10.272 -8.464 846 2HD LYS 49 1HD LYS 49 3.700 -9.686 -6.945 847 1HE LYS 49 2HE LYS 49 1.845 -10.868 -7.507 848 2HE LYS 49 1HE LYS 49 1.519 -9.556 -8.640 849 1HZ LYS 49 1HZ LYS 49 2.904 -12.116 -9.184 850 2HZ LYS 49 2HZ LYS 49 2.932 -10.804 -10.263 851 3HZ LYS 49 3HZ LYS 49 1.458 -11.552 -9.867 852 H LYS 50 H LYS 50 2.294 -6.834 -12.567 853 HA LYS 50 HA LYS 50 4.129 -7.346 -14.695 854 1HB LYS 50 2HB LYS 50 1.263 -6.479 -14.577 855 2HB LYS 50 1HB LYS 50 2.142 -6.561 -16.102 856 1HG LYS 50 2HG LYS 50 2.751 -8.964 -15.490 857 2HG LYS 50 1HG LYS 50 1.580 -8.844 -14.183 858 1HD LYS 50 2HD LYS 50 0.926 -8.333 -17.101 859 2HD LYS 50 1HD LYS 50 0.650 -9.867 -16.282 860 1HE LYS 50 2HE LYS 50 -0.729 -8.535 -14.573 861 2HE LYS 50 1HE LYS 50 -0.663 -7.202 -15.727 862 1HZ LYS 50 1HZ LYS 50 -1.781 -9.908 -16.195 863 2HZ LYS 50 2HZ LYS 50 -1.579 -8.738 -17.410 864 3HZ LYS 50 3HZ LYS 50 -2.641 -8.447 -16.114 865 H LEU 51 H LEU 51 2.621 -4.464 -13.305 866 HA LEU 51 HA LEU 51 3.580 -2.671 -15.317 867 1HB LEU 51 2HB LEU 51 2.112 -2.458 -12.807 868 2HB LEU 51 1HB LEU 51 3.317 -1.186 -12.958 869 HG LEU 51 HG LEU 51 1.095 -0.608 -13.954 870 1HD1 LEU 51 1HD1 LEU 51 3.719 -0.559 -15.369 871 2HD1 LEU 51 2HD1 LEU 51 2.698 0.781 -14.812 872 3HD1 LEU 51 3HD1 LEU 51 2.295 -0.081 -16.302 873 1HD2 LEU 51 1HD2 LEU 51 1.471 -3.187 -15.185 874 2HD2 LEU 51 2HD2 LEU 51 1.393 -1.966 -16.455 875 3HD2 LEU 51 3HD2 LEU 51 0.073 -2.114 -15.293 876 H ASN 52 H ASN 52 4.700 -3.771 -12.227 877 HA ASN 52 HA ASN 52 7.022 -2.147 -12.047 878 1HB ASN 52 2HB ASN 52 6.282 -3.309 -10.096 879 2HB ASN 52 1HB ASN 52 6.322 -4.860 -10.916 880 1HD2 ASN 52 1HD2 ASN 52 8.490 -5.687 -11.531 881 2HD2 ASN 52 2HD2 ASN 52 9.852 -5.222 -10.632 882 H ASP 53 H ASP 53 6.196 -5.222 -13.453 883 HA ASP 53 HA ASP 53 8.813 -5.886 -14.416 884 1HB ASP 53 2HB ASP 53 6.058 -6.771 -15.305 885 2HB ASP 53 1HB ASP 53 7.545 -7.422 -15.977 886 H ALA 54 H ALA 54 6.098 -4.056 -15.630 887 HA ALA 54 HA ALA 54 6.939 -3.702 -18.301 888 1HB ALA 54 1HB ALA 54 5.169 -2.198 -18.474 889 2HB ALA 54 2HB ALA 54 5.322 -1.674 -16.798 890 3HB ALA 54 3HB ALA 54 4.649 -3.261 -17.167 891 H GLN 55 H GLN 55 7.494 -1.883 -15.320 892 HA GLN 55 HA GLN 55 9.099 0.129 -16.697 893 1HB GLN 55 2HB GLN 55 8.283 -0.241 -13.857 894 2HB GLN 55 1HB GLN 55 9.248 1.107 -14.422 895 1HG GLN 55 2HG GLN 55 7.476 2.044 -15.593 896 2HG GLN 55 1HG GLN 55 6.662 0.493 -15.799 897 1HE2 GLN 55 1HE2 GLN 55 6.140 -0.542 -13.470 898 2HE2 GLN 55 2HE2 GLN 55 5.376 0.528 -12.399 899 H ALA 56 H ALA 56 9.594 -2.910 -15.373 900 HA ALA 56 HA ALA 56 12.069 -2.577 -14.019 901 1HB ALA 56 1HB ALA 56 10.725 -4.625 -13.785 902 2HB ALA 56 2HB ALA 56 12.352 -5.001 -14.345 903 3HB ALA 56 3HB ALA 56 11.008 -5.007 -15.481 904 HA PRO 57 HA PRO 57 14.914 -2.288 -17.314 905 1HB PRO 57 2HB PRO 57 16.976 -3.803 -15.983 906 2HB PRO 57 1HB PRO 57 16.765 -2.047 -16.026 907 1HG PRO 57 2HG PRO 57 16.500 -3.573 -13.777 908 2HG PRO 57 1HG PRO 57 15.737 -1.991 -14.016 909 1HD PRO 57 2HD PRO 57 14.553 -4.726 -14.379 910 2HD PRO 57 1HD PRO 57 13.842 -3.285 -13.610 911 H LYS 58 H LYS 58 16.368 -3.524 -18.768 912 HA LYS 58 HA LYS 58 15.706 -6.366 -19.037 913 1HB LYS 58 2HB LYS 58 15.141 -4.168 -20.925 914 2HB LYS 58 1HB LYS 58 15.681 -5.686 -21.607 915 1HG LYS 58 2HG LYS 58 13.432 -6.164 -21.534 916 2HG LYS 58 1HG LYS 58 13.827 -6.630 -19.881 917 1HD LYS 58 2HD LYS 58 13.384 -4.037 -19.414 918 2HD LYS 58 1HD LYS 58 12.418 -4.176 -20.880 919 1HE LYS 58 2HE LYS 58 11.125 -6.010 -19.889 920 2HE LYS 58 1HE LYS 58 12.124 -5.953 -18.435 921 1HZ LYS 58 1HZ LYS 58 11.408 -3.613 -18.163 922 2HZ LYS 58 2HZ LYS 58 10.136 -4.731 -18.031 923 3HZ LYS 58 3HZ LYS 58 10.327 -3.821 -19.453 Start of MODEL 27 1 1H VAL 1 1HT VAL 1 10.227 -16.092 2.929 2 2H VAL 1 2HT VAL 1 10.100 -15.369 4.461 3 3H VAL 1 3HT VAL 1 9.030 -14.926 3.218 4 HA VAL 1 HA VAL 1 8.254 -17.302 3.193 5 HB VAL 1 HB VAL 1 9.769 -17.258 5.832 6 1HG1 VAL 1 1HG1 VAL 1 7.703 -18.450 6.172 7 2HG1 VAL 1 2HG1 VAL 1 8.958 -19.666 5.939 8 3HG1 VAL 1 3HG1 VAL 1 7.854 -19.275 4.620 9 1HG2 VAL 1 1HG2 VAL 1 11.254 -17.691 3.944 10 2HG2 VAL 1 2HG2 VAL 1 10.131 -18.882 3.288 11 3HG2 VAL 1 3HG2 VAL 1 10.974 -19.205 4.802 12 H ASP 2 H ASP 2 8.640 -15.700 6.363 13 HA ASP 2 HA ASP 2 5.901 -15.709 7.022 14 1HB ASP 2 2HB ASP 2 8.029 -13.778 7.984 15 2HB ASP 2 1HB ASP 2 6.504 -14.142 8.789 16 H ASN 3 H ASN 3 7.950 -13.295 5.467 17 HA ASN 3 HA ASN 3 7.512 -11.340 4.356 18 1HB ASN 3 2HB ASN 3 4.824 -12.642 3.822 19 2HB ASN 3 1HB ASN 3 5.565 -11.343 2.892 20 1HD2 ASN 3 1HD2 ASN 3 4.883 -14.366 2.323 21 2HD2 ASN 3 2HD2 ASN 3 6.305 -14.932 1.588 22 H LYS 4 H LYS 4 6.924 -11.476 7.191 23 HA LYS 4 HA LYS 4 4.498 -10.194 7.855 24 1HB LYS 4 2HB LYS 4 5.684 -9.594 9.992 25 2HB LYS 4 1HB LYS 4 5.741 -11.304 9.584 26 1HG LYS 4 2HG LYS 4 8.021 -10.941 8.593 27 2HG LYS 4 1HG LYS 4 7.954 -9.271 9.156 28 1HD LYS 4 2HD LYS 4 9.082 -10.324 10.916 29 2HD LYS 4 1HD LYS 4 7.411 -10.337 11.480 30 1HE LYS 4 2HE LYS 4 8.230 -12.549 11.858 31 2HE LYS 4 1HE LYS 4 7.217 -12.664 10.422 32 1HZ LYS 4 1HZ LYS 4 9.304 -12.339 9.105 33 2HZ LYS 4 2HZ LYS 4 9.211 -13.808 9.953 34 3HZ LYS 4 3HZ LYS 4 10.176 -12.540 10.546 35 H PHE 5 H PHE 5 7.722 -8.888 7.147 36 HA PHE 5 HA PHE 5 7.146 -6.190 7.611 37 1HB PHE 5 2HB PHE 5 9.204 -5.708 6.576 38 2HB PHE 5 1HB PHE 5 9.443 -7.319 7.244 39 HD1 PHE 5 1HD PHE 5 9.172 -9.343 5.714 40 HD2 PHE 5 2HD PHE 5 9.330 -5.309 4.227 41 HE1 PHE 5 1HE PHE 5 9.669 -10.198 3.442 42 HE2 PHE 5 2HE PHE 5 9.828 -6.171 1.957 43 HZ PHE 5 HZ PHE 5 9.996 -8.613 1.563 44 H ASN 6 H ASN 6 6.798 -8.261 4.760 45 HA ASN 6 HA ASN 6 6.044 -6.244 2.916 46 1HB ASN 6 2HB ASN 6 6.805 -8.552 2.333 47 2HB ASN 6 1HB ASN 6 5.269 -9.162 2.940 48 1HD2 ASN 6 1HD2 ASN 6 4.574 -9.903 0.838 49 2HD2 ASN 6 2HD2 ASN 6 4.156 -8.820 -0.405 50 H LYS 7 H LYS 7 4.243 -8.436 5.023 51 HA LYS 7 HA LYS 7 1.634 -7.695 4.250 52 1HB LYS 7 2HB LYS 7 2.045 -9.722 5.519 53 2HB LYS 7 1HB LYS 7 2.755 -8.812 6.839 54 1HG LYS 7 2HG LYS 7 0.609 -9.240 7.637 55 2HG LYS 7 1HG LYS 7 0.416 -7.634 6.950 56 1HD LYS 7 2HD LYS 7 -1.430 -8.793 6.095 57 2HD LYS 7 1HD LYS 7 -0.267 -8.903 4.774 58 1HE LYS 7 2HE LYS 7 -1.243 -11.083 5.110 59 2HE LYS 7 1HE LYS 7 0.428 -11.138 5.671 60 1HZ LYS 7 1HZ LYS 7 -1.359 -12.128 7.171 61 2HZ LYS 7 2HZ LYS 7 -1.793 -10.523 7.519 62 3HZ LYS 7 3HZ LYS 7 -0.231 -11.083 7.887 63 H GLU 8 H GLU 8 3.905 -6.532 6.682 64 HA GLU 8 HA GLU 8 2.140 -4.554 7.711 65 1HB GLU 8 2HB GLU 8 5.104 -5.039 7.995 66 2HB GLU 8 1HB GLU 8 4.306 -3.642 8.738 67 1HG GLU 8 2HG GLU 8 3.645 -6.567 9.226 68 2HG GLU 8 1HG GLU 8 4.427 -5.472 10.360 69 H LEU 9 H LEU 9 4.647 -4.579 5.295 70 HA LEU 9 HA LEU 9 4.803 -1.786 4.737 71 1HB LEU 9 2HB LEU 9 6.487 -3.302 3.863 72 2HB LEU 9 1HB LEU 9 5.266 -4.240 3.010 73 HG LEU 9 HG LEU 9 4.716 -2.037 1.764 74 1HD1 LEU 9 1HD1 LEU 9 5.962 -0.224 2.076 75 2HD1 LEU 9 2HD1 LEU 9 7.453 -1.112 1.927 76 3HD1 LEU 9 3HD1 LEU 9 6.663 -0.984 3.510 77 1HD2 LEU 9 1HD2 LEU 9 6.644 -2.393 0.215 78 2HD2 LEU 9 2HD2 LEU 9 5.753 -3.854 0.633 79 3HD2 LEU 9 3HD2 LEU 9 7.308 -3.525 1.395 80 H GLY 10 H GLY 10 2.739 -4.405 3.585 81 1HA GLY 10 2HA GLY 10 1.268 -2.757 1.811 82 2HA GLY 10 1HA GLY 10 0.860 -4.389 2.315 83 H TRP 11 H TRP 11 0.910 -3.958 5.129 84 HA TRP 11 HA TRP 11 -1.681 -2.981 5.344 85 1HB TRP 11 2HB TRP 11 -0.437 -4.715 6.870 86 2HB TRP 11 1HB TRP 11 -0.210 -3.264 7.854 87 HD1 TRP 11 HD TRP 11 -1.980 -3.848 9.651 88 HE1 TRP 11 1HE TRP 11 -4.553 -3.981 9.657 89 HE3 TRP 11 3HE TRP 11 -2.996 -3.718 4.600 90 HZ2 TRP 11 2HZ TRP 11 -6.729 -3.952 7.826 91 HZ3 TRP 11 3HZ TRP 11 -5.264 -3.714 3.778 92 HH2 TRP 11 HH TRP 11 -7.177 -3.851 5.389 93 H ALA 12 H ALA 12 1.295 -1.630 6.587 94 HA ALA 12 HA ALA 12 0.106 0.576 7.765 95 1HB ALA 12 1HB ALA 12 2.338 0.397 8.332 96 2HB ALA 12 2HB ALA 12 2.460 1.639 7.084 97 3HB ALA 12 3HB ALA 12 2.823 -0.041 6.697 98 H THR 13 H THR 13 1.078 -0.065 4.437 99 HA THR 13 HA THR 13 0.703 2.442 3.235 100 HB THR 13 HB THR 13 0.446 -0.400 2.346 101 HG1 THR 13 1HG THR 13 2.442 0.873 2.755 102 1HG2 THR 13 1HG2 THR 13 0.330 0.551 0.001 103 2HG2 THR 13 2HG2 THR 13 -0.143 2.083 0.738 104 3HG2 THR 13 3HG2 THR 13 -1.162 0.652 0.937 105 H TRP 14 H TRP 14 -1.578 -0.200 3.807 106 HA TRP 14 HA TRP 14 -3.888 0.981 2.680 107 1HB TRP 14 2HB TRP 14 -3.398 -1.430 3.423 108 2HB TRP 14 1HB TRP 14 -3.848 -0.894 5.023 109 HD1 TRP 14 HD TRP 14 -6.319 -0.817 5.595 110 HE1 TRP 14 1HE TRP 14 -8.482 -1.339 4.327 111 HE3 TRP 14 3HE TRP 14 -4.546 -0.920 0.780 112 HZ2 TRP 14 2HZ TRP 14 -9.341 -1.753 1.659 113 HZ3 TRP 14 3HZ TRP 14 -6.066 -1.377 -1.056 114 HH2 TRP 14 HH TRP 14 -8.438 -1.802 -0.633 115 H GLU 15 H GLU 15 -2.693 0.816 6.012 116 HA GLU 15 HA GLU 15 -4.852 2.126 7.239 117 1HB GLU 15 2HB GLU 15 -1.942 1.888 8.046 118 2HB GLU 15 1HB GLU 15 -3.232 2.462 9.110 119 1HG GLU 15 2HG GLU 15 -4.388 0.350 8.991 120 2HG GLU 15 1HG GLU 15 -3.341 -0.228 7.697 121 H ILE 16 H ILE 16 -1.887 3.330 5.763 122 HA ILE 16 HA ILE 16 -2.276 6.106 6.435 123 HB ILE 16 HB ILE 16 -0.645 4.733 4.245 124 1HG1 ILE 16 2HG1 ILE 16 0.302 5.970 6.823 125 2HG1 ILE 16 1HG1 ILE 16 -0.059 4.274 6.684 126 1HG2 ILE 16 1HG2 ILE 16 -1.207 7.550 4.691 127 2HG2 ILE 16 2HG2 ILE 16 -0.298 6.786 3.389 128 3HG2 ILE 16 3HG2 ILE 16 0.512 7.215 4.890 129 1HD1 ILE 16 1HD1 ILE 16 1.722 5.312 4.559 130 2HD1 ILE 16 2HD1 ILE 16 1.858 3.843 5.533 131 3HD1 ILE 16 3HD1 ILE 16 2.408 5.380 6.190 132 H PHE 17 H PHE 17 -3.127 3.934 3.830 133 HA PHE 17 HA PHE 17 -4.172 5.768 1.930 134 1HB PHE 17 2HB PHE 17 -3.605 3.117 1.948 135 2HB PHE 17 1HB PHE 17 -5.336 3.038 2.170 136 HD1 PHE 17 1HD PHE 17 -6.837 3.535 0.382 137 HD2 PHE 17 2HD PHE 17 -2.624 4.233 -0.074 138 HE1 PHE 17 1HE PHE 17 -7.141 3.802 -2.060 139 HE2 PHE 17 2HE PHE 17 -2.927 4.490 -2.509 140 HZ PHE 17 HZ PHE 17 -5.189 4.268 -3.493 141 H ASN 18 H ASN 18 -5.562 3.954 4.611 142 HA ASN 18 HA ASN 18 -8.264 4.906 4.116 143 1HB ASN 18 2HB ASN 18 -7.059 3.032 6.156 144 2HB ASN 18 1HB ASN 18 -8.758 3.491 6.161 145 1HD2 ASN 18 1HD2 ASN 18 -6.458 2.510 3.532 146 2HD2 ASN 18 2HD2 ASN 18 -7.492 1.327 2.890 147 H LEU 19 H LEU 19 -5.722 6.491 5.490 148 HA LEU 19 HA LEU 19 -6.854 7.269 7.977 149 1HB LEU 19 2HB LEU 19 -4.557 8.131 6.355 150 2HB LEU 19 1HB LEU 19 -5.234 9.373 7.403 151 HG LEU 19 HG LEU 19 -4.368 6.601 8.312 152 1HD1 LEU 19 1HD1 LEU 19 -3.138 9.334 8.529 153 2HD1 LEU 19 2HD1 LEU 19 -2.448 7.893 7.787 154 3HD1 LEU 19 3HD1 LEU 19 -2.639 7.977 9.534 155 1HD2 LEU 19 1HD2 LEU 19 -6.003 8.645 9.551 156 2HD2 LEU 19 2HD2 LEU 19 -4.526 8.407 10.472 157 3HD2 LEU 19 3HD2 LEU 19 -5.599 7.041 10.146 158 HA PRO 20 HA PRO 20 -9.914 9.976 6.295 159 1HB PRO 20 2HB PRO 20 -10.377 11.149 8.895 160 2HB PRO 20 1HB PRO 20 -11.344 9.943 8.036 161 1HG PRO 20 2HG PRO 20 -9.938 9.468 10.321 162 2HG PRO 20 1HG PRO 20 -10.368 8.223 9.135 163 1HD PRO 20 2HD PRO 20 -7.771 9.657 9.499 164 2HD PRO 20 1HD PRO 20 -8.070 7.955 9.128 165 H ASN 21 H ASN 21 -6.890 11.284 6.995 166 HA ASN 21 HA ASN 21 -7.966 13.942 6.233 167 1HB ASN 21 2HB ASN 21 -6.298 13.560 8.709 168 2HB ASN 21 1HB ASN 21 -6.627 15.112 7.969 169 1HD2 ASN 21 1HD2 ASN 21 -7.859 12.802 10.187 170 2HD2 ASN 21 2HD2 ASN 21 -9.407 13.474 10.362 171 H LEU 22 H LEU 22 -5.684 11.662 5.588 172 HA LEU 22 HA LEU 22 -3.470 13.456 5.070 173 1HB LEU 22 2HB LEU 22 -3.915 10.594 4.230 174 2HB LEU 22 1HB LEU 22 -2.408 11.494 4.034 175 HG LEU 22 HG LEU 22 -3.795 10.954 6.673 176 1HD1 LEU 22 1HD1 LEU 22 -1.635 9.643 7.030 177 2HD1 LEU 22 2HD1 LEU 22 -1.430 9.722 5.282 178 3HD1 LEU 22 3HD1 LEU 22 -2.842 8.928 5.969 179 1HD2 LEU 22 1HD2 LEU 22 -2.615 12.895 7.125 180 2HD2 LEU 22 2HD2 LEU 22 -1.430 12.588 5.847 181 3HD2 LEU 22 3HD2 LEU 22 -1.337 11.704 7.365 182 H ASN 23 H ASN 23 -2.626 14.060 3.083 183 HA ASN 23 HA ASN 23 -4.662 14.320 0.986 184 1HB ASN 23 2HB ASN 23 -3.606 16.241 0.343 185 2HB ASN 23 1HB ASN 23 -3.027 16.196 2.001 186 1HD2 ASN 23 1HD2 ASN 23 -0.745 15.958 2.316 187 2HD2 ASN 23 2HD2 ASN 23 0.348 15.771 1.029 188 H GLY 24 H GLY 24 -4.085 13.864 -1.248 189 1HA GLY 24 2HA GLY 24 -3.262 11.305 -1.746 190 2HA GLY 24 1HA GLY 24 -3.169 12.588 -2.943 191 H VAL 25 H VAL 25 -1.189 14.202 -1.834 192 HA VAL 25 HA VAL 25 1.172 12.845 -2.645 193 HB VAL 25 HB VAL 25 0.868 15.471 -1.179 194 1HG1 VAL 25 1HG1 VAL 25 3.158 15.828 -2.352 195 2HG1 VAL 25 2HG1 VAL 25 3.204 14.069 -2.478 196 3HG1 VAL 25 3HG1 VAL 25 3.128 14.839 -0.892 197 1HG2 VAL 25 1HG2 VAL 25 -0.250 15.676 -3.248 198 2HG2 VAL 25 2HG2 VAL 25 0.906 14.626 -4.074 199 3HG2 VAL 25 3HG2 VAL 25 1.376 16.263 -3.600 200 H GLN 26 H GLN 26 -0.031 13.828 0.608 201 HA GLN 26 HA GLN 26 2.261 12.909 1.962 202 1HB GLN 26 2HB GLN 26 -0.432 13.776 2.703 203 2HB GLN 26 1HB GLN 26 0.243 12.565 3.792 204 1HG GLN 26 2HG GLN 26 2.031 13.915 4.432 205 2HG GLN 26 1HG GLN 26 2.008 14.836 2.923 206 1HE2 GLN 26 1HE2 GLN 26 -0.268 14.168 5.604 207 2HE2 GLN 26 2HE2 GLN 26 -0.775 15.775 5.775 208 H VAL 27 H VAL 27 -0.775 11.275 1.120 209 HA VAL 27 HA VAL 27 -0.157 8.807 2.382 210 HB VAL 27 HB VAL 27 -1.880 9.328 -0.065 211 1HG1 VAL 27 1HG1 VAL 27 -1.629 6.948 1.801 212 2HG1 VAL 27 2HG1 VAL 27 -1.307 6.972 0.067 213 3HG1 VAL 27 3HG1 VAL 27 -2.957 7.159 0.658 214 1HG2 VAL 27 1HG2 VAL 27 -2.586 10.560 1.986 215 2HG2 VAL 27 2HG2 VAL 27 -2.620 9.037 2.871 216 3HG2 VAL 27 3HG2 VAL 27 -3.744 9.310 1.540 217 H LYS 28 H LYS 28 0.409 10.074 -0.868 218 HA LYS 28 HA LYS 28 1.664 7.790 -1.970 219 1HB LYS 28 2HB LYS 28 1.725 10.739 -2.658 220 2HB LYS 28 1HB LYS 28 2.714 9.571 -3.535 221 1HG LYS 28 2HG LYS 28 0.824 8.397 -4.350 222 2HG LYS 28 1HG LYS 28 -0.256 9.137 -3.171 223 1HD LYS 28 2HD LYS 28 -0.680 10.227 -5.270 224 2HD LYS 28 1HD LYS 28 0.230 11.372 -4.289 225 1HE LYS 28 2HE LYS 28 2.307 10.750 -5.440 226 2HE LYS 28 1HE LYS 28 1.439 9.536 -6.380 227 1HZ LYS 28 1HZ LYS 28 0.007 11.393 -7.196 228 2HZ LYS 28 2HZ LYS 28 1.623 11.457 -7.718 229 3HZ LYS 28 3HZ LYS 28 1.090 12.477 -6.468 230 H ALA 29 H ALA 29 2.850 10.467 -0.047 231 HA ALA 29 HA ALA 29 5.617 9.978 -0.369 232 1HB ALA 29 1HB ALA 29 4.279 11.328 1.956 233 2HB ALA 29 2HB ALA 29 4.568 12.134 0.412 234 3HB ALA 29 3HB ALA 29 5.927 11.561 1.378 235 H PHE 30 H PHE 30 3.221 9.109 2.065 236 HA PHE 30 HA PHE 30 5.011 7.806 3.777 237 1HB PHE 30 2HB PHE 30 2.041 7.421 3.392 238 2HB PHE 30 1HB PHE 30 2.989 6.769 4.728 239 HD1 PHE 30 1HD PHE 30 0.677 9.174 4.237 240 HD2 PHE 30 2HD PHE 30 4.795 8.909 5.512 241 HE1 PHE 30 1HE PHE 30 0.450 11.291 5.472 242 HE2 PHE 30 2HE PHE 30 4.538 11.041 6.718 243 HZ PHE 30 HZ PHE 30 2.374 12.216 6.694 244 H ILE 31 H ILE 31 3.107 6.896 0.974 245 HA ILE 31 HA ILE 31 3.698 4.131 1.038 246 HB ILE 31 HB ILE 31 2.758 6.013 -1.107 247 1HG1 ILE 31 2HG1 ILE 31 1.579 3.469 0.065 248 2HG1 ILE 31 1HG1 ILE 31 1.172 5.097 0.594 249 1HG2 ILE 31 1HG2 ILE 31 3.923 3.261 -1.492 250 2HG2 ILE 31 2HG2 ILE 31 4.040 4.679 -2.529 251 3HG2 ILE 31 3HG2 ILE 31 2.547 3.748 -2.478 252 1HD1 ILE 31 1HD1 ILE 31 0.295 5.635 -1.618 253 2HD1 ILE 31 2HD1 ILE 31 -0.488 4.173 -1.010 254 3HD1 ILE 31 3HD1 ILE 31 0.787 4.051 -2.221 255 H ASP 32 H ASP 32 5.173 6.902 -0.533 256 HA ASP 32 HA ASP 32 7.211 5.464 -1.828 257 1HB ASP 32 2HB ASP 32 6.980 8.361 -0.985 258 2HB ASP 32 1HB ASP 32 8.354 7.751 -1.915 259 H SER 33 H SER 33 7.041 6.878 1.351 260 HA SER 33 HA SER 33 9.767 6.442 2.075 261 1HB SER 33 2HB SER 33 7.278 6.689 3.796 262 2HB SER 33 1HB SER 33 8.944 6.774 4.376 263 HG SER 33 HG SER 33 7.753 8.479 2.440 264 H LEU 34 H LEU 34 6.782 4.662 2.282 265 HA LEU 34 HA LEU 34 7.533 2.328 3.732 266 1HB LEU 34 2HB LEU 34 5.399 3.280 1.930 267 2HB LEU 34 1HB LEU 34 5.671 1.569 1.870 268 HG LEU 34 HG LEU 34 5.611 2.557 4.587 269 1HD1 LEU 34 1HD1 LEU 34 2.957 2.628 4.296 270 2HD1 LEU 34 2HD1 LEU 34 3.406 3.251 2.716 271 3HD1 LEU 34 3HD1 LEU 34 3.936 4.085 4.173 272 1HD2 LEU 34 1HD2 LEU 34 4.286 0.443 2.933 273 2HD2 LEU 34 2HD2 LEU 34 3.812 0.722 4.611 274 3HD2 LEU 34 3HD2 LEU 34 5.461 0.266 4.219 275 H ARG 35 H ARG 35 7.372 3.026 0.296 276 HA ARG 35 HA ARG 35 8.450 0.638 -0.728 277 1HB ARG 35 2HB ARG 35 8.531 3.465 -1.801 278 2HB ARG 35 1HB ARG 35 8.947 2.034 -2.743 279 1HG ARG 35 2HG ARG 35 6.717 1.160 -2.516 280 2HG ARG 35 1HG ARG 35 6.299 2.406 -1.373 281 1HD ARG 35 2HD ARG 35 5.344 3.083 -3.447 282 2HD ARG 35 1HD ARG 35 6.740 4.112 -3.169 283 HE ARG 35 HE ARG 35 7.730 3.171 -5.014 284 1HH1 ARG 35 1HH2 ARG 35 5.502 0.904 -3.708 285 2HH1 ARG 35 2HH2 ARG 35 5.424 -0.057 -5.153 286 1HH2 ARG 35 1HH1 ARG 35 7.416 2.103 -6.999 287 2HH2 ARG 35 2HH1 ARG 35 6.522 0.621 -7.012 288 H ASP 36 H ASP 36 9.989 3.697 0.168 289 HA ASP 36 HA ASP 36 12.628 3.036 -0.595 290 1HB ASP 36 2HB ASP 36 11.789 5.342 -0.204 291 2HB ASP 36 1HB ASP 36 11.749 4.973 1.508 292 H ASP 37 H ASP 37 10.816 2.721 2.384 293 HA ASP 37 HA ASP 37 12.712 0.740 3.356 294 1HB ASP 37 2HB ASP 37 13.396 3.063 4.232 295 2HB ASP 37 1HB ASP 37 11.929 2.994 5.201 296 HA PRO 38 HA PRO 38 8.473 -0.570 4.070 297 1HB PRO 38 2HB PRO 38 9.446 -3.263 4.074 298 2HB PRO 38 1HB PRO 38 8.454 -2.451 2.875 299 1HG PRO 38 2HG PRO 38 11.084 -3.268 2.557 300 2HG PRO 38 1HG PRO 38 10.187 -2.168 1.500 301 1HD PRO 38 2HD PRO 38 12.271 -1.550 3.495 302 2HD PRO 38 1HD PRO 38 11.719 -0.602 2.096 303 H SER 39 H SER 39 11.390 -1.572 5.735 304 HA SER 39 HA SER 39 10.158 -2.818 7.964 305 1HB SER 39 2HB SER 39 12.602 -2.992 7.381 306 2HB SER 39 1HB SER 39 12.803 -1.329 7.924 307 HG SER 39 HG SER 39 12.039 -1.988 9.968 308 H GLN 40 H GLN 40 10.739 0.441 6.984 309 HA GLN 40 HA GLN 40 10.096 1.617 9.556 310 1HB GLN 40 2HB GLN 40 11.755 2.409 7.580 311 2HB GLN 40 1HB GLN 40 10.309 3.298 7.120 312 1HG GLN 40 2HG GLN 40 11.508 4.755 8.566 313 2HG GLN 40 1HG GLN 40 10.214 4.092 9.551 314 1HE2 GLN 40 1HE2 GLN 40 10.899 3.343 11.555 315 2HE2 GLN 40 2HE2 GLN 40 12.463 2.784 11.902 316 H SER 41 H SER 41 8.260 0.281 7.198 317 HA SER 41 HA SER 41 6.324 2.002 6.359 318 1HB SER 41 2HB SER 41 4.852 0.042 6.257 319 2HB SER 41 1HB SER 41 6.481 -0.367 5.734 320 HG SER 41 HG SER 41 6.789 -1.491 7.540 321 H ALA 42 H ALA 42 6.437 0.428 9.548 322 HA ALA 42 HA ALA 42 3.858 1.214 10.421 323 1HB ALA 42 1HB ALA 42 4.691 0.669 12.648 324 2HB ALA 42 2HB ALA 42 6.349 0.688 12.046 325 3HB ALA 42 3HB ALA 42 5.224 -0.554 11.494 326 H ASN 43 H ASN 43 7.002 2.683 10.455 327 HA ASN 43 HA ASN 43 6.506 4.823 12.213 328 1HB ASN 43 2HB ASN 43 8.696 3.800 11.323 329 2HB ASN 43 1HB ASN 43 8.433 4.833 9.927 330 1HD2 ASN 43 1HD2 ASN 43 10.717 5.364 11.351 331 2HD2 ASN 43 2HD2 ASN 43 10.547 6.780 12.271 332 H LEU 44 H LEU 44 6.166 4.322 8.826 333 HA LEU 44 HA LEU 44 5.685 7.021 8.023 334 1HB LEU 44 2HB LEU 44 5.126 4.385 6.611 335 2HB LEU 44 1HB LEU 44 5.320 5.980 5.853 336 HG LEU 44 HG LEU 44 7.426 4.749 7.623 337 1HD1 LEU 44 1HD1 LEU 44 6.848 4.192 4.839 338 2HD1 LEU 44 2HD1 LEU 44 7.834 3.309 6.009 339 3HD1 LEU 44 3HD1 LEU 44 8.512 4.687 5.149 340 1HD2 LEU 44 1HD2 LEU 44 8.818 6.465 6.407 341 2HD2 LEU 44 2HD2 LEU 44 7.627 7.062 7.568 342 3HD2 LEU 44 3HD2 LEU 44 7.287 7.133 5.839 343 H LEU 45 H LEU 45 3.931 4.222 8.846 344 HA LEU 45 HA LEU 45 1.293 5.205 8.370 345 1HB LEU 45 2HB LEU 45 1.472 2.857 8.570 346 2HB LEU 45 1HB LEU 45 2.476 2.969 10.008 347 HG LEU 45 HG LEU 45 0.552 3.826 11.292 348 1HD1 LEU 45 1HD1 LEU 45 -0.756 4.981 9.686 349 2HD1 LEU 45 2HD1 LEU 45 -1.730 3.581 10.122 350 3HD1 LEU 45 3HD1 LEU 45 -0.822 3.588 8.612 351 1HD2 LEU 45 1HD2 LEU 45 -0.777 1.724 11.255 352 2HD2 LEU 45 2HD2 LEU 45 0.959 1.424 11.237 353 3HD2 LEU 45 3HD2 LEU 45 0.024 1.269 9.750 354 H ALA 46 H ALA 46 3.613 5.233 10.944 355 HA ALA 46 HA ALA 46 2.063 6.351 13.007 356 1HB ALA 46 1HB ALA 46 4.057 6.483 14.181 357 2HB ALA 46 2HB ALA 46 4.956 7.024 12.761 358 3HB ALA 46 3HB ALA 46 4.533 5.323 12.942 359 H GLU 47 H GLU 47 4.204 7.666 10.602 360 HA GLU 47 HA GLU 47 4.027 10.389 11.243 361 1HB GLU 47 2HB GLU 47 4.721 8.763 8.830 362 2HB GLU 47 1HB GLU 47 4.621 10.518 8.702 363 1HG GLU 47 2HG GLU 47 6.446 8.895 10.477 364 2HG GLU 47 1HG GLU 47 6.901 9.891 9.100 365 H ALA 48 H ALA 48 2.226 8.242 9.171 366 HA ALA 48 HA ALA 48 0.639 10.179 7.902 367 1HB ALA 48 1HB ALA 48 -0.578 7.561 8.294 368 2HB ALA 48 2HB ALA 48 1.079 7.468 7.734 369 3HB ALA 48 3HB ALA 48 -0.107 8.368 6.803 370 H LYS 49 H LYS 49 0.091 8.070 10.713 371 HA LYS 49 HA LYS 49 -2.498 9.012 11.328 372 1HB LYS 49 2HB LYS 49 -0.324 7.826 13.070 373 2HB LYS 49 1HB LYS 49 -1.923 8.249 13.684 374 1HG LYS 49 2HG LYS 49 -2.946 6.757 11.966 375 2HG LYS 49 1HG LYS 49 -1.330 6.280 11.450 376 1HD LYS 49 2HD LYS 49 -0.863 5.484 13.777 377 2HD LYS 49 1HD LYS 49 -2.533 5.863 14.204 378 1HE LYS 49 2HE LYS 49 -3.152 4.344 12.173 379 2HE LYS 49 1HE LYS 49 -1.504 3.739 12.333 380 1HZ LYS 49 1HZ LYS 49 -2.956 2.377 13.625 381 2HZ LYS 49 2HZ LYS 49 -3.611 3.728 14.421 382 3HZ LYS 49 3HZ LYS 49 -1.994 3.280 14.690 383 H LYS 50 H LYS 50 0.735 10.241 11.905 384 HA LYS 50 HA LYS 50 -0.065 12.237 13.762 385 1HB LYS 50 2HB LYS 50 2.251 11.279 13.576 386 2HB LYS 50 1HB LYS 50 2.418 12.139 12.051 387 1HG LYS 50 2HG LYS 50 2.084 14.288 13.187 388 2HG LYS 50 1HG LYS 50 1.823 13.454 14.720 389 1HD LYS 50 2HD LYS 50 4.099 14.093 14.811 390 2HD LYS 50 1HD LYS 50 4.151 12.398 14.324 391 1HE LYS 50 2HE LYS 50 4.237 13.200 11.915 392 2HE LYS 50 1HE LYS 50 4.461 14.832 12.542 393 1HZ LYS 50 1HZ LYS 50 6.379 13.900 13.837 394 2HZ LYS 50 2HZ LYS 50 6.597 13.957 12.153 395 3HZ LYS 50 3HZ LYS 50 6.229 12.483 12.914 396 H LEU 51 H LEU 51 0.513 12.092 10.319 397 HA LEU 51 HA LEU 51 0.098 14.857 9.858 398 1HB LEU 51 2HB LEU 51 0.434 12.442 8.169 399 2HB LEU 51 1HB LEU 51 -0.436 13.790 7.445 400 HG LEU 51 HG LEU 51 1.877 14.057 6.904 401 1HD1 LEU 51 1HD1 LEU 51 1.723 16.005 9.145 402 2HD1 LEU 51 2HD1 LEU 51 0.425 16.034 7.950 403 3HD1 LEU 51 3HD1 LEU 51 2.097 16.268 7.442 404 1HD2 LEU 51 1HD2 LEU 51 3.507 14.400 8.916 405 2HD2 LEU 51 2HD2 LEU 51 3.086 12.758 8.445 406 3HD2 LEU 51 3HD2 LEU 51 2.297 13.504 9.834 407 H ASN 52 H ASN 52 -1.909 11.999 9.707 408 HA ASN 52 HA ASN 52 -4.254 13.201 8.708 409 1HB ASN 52 2HB ASN 52 -4.312 10.884 8.623 410 2HB ASN 52 1HB ASN 52 -3.627 10.694 10.231 411 1HD2 ASN 52 1HD2 ASN 52 -5.117 10.213 11.857 412 2HD2 ASN 52 2HD2 ASN 52 -6.792 10.450 11.730 413 H ASP 53 H ASP 53 -3.044 12.515 11.961 414 HA ASP 53 HA ASP 53 -5.236 13.586 13.356 415 1HB ASP 53 2HB ASP 53 -2.360 13.181 14.155 416 2HB ASP 53 1HB ASP 53 -3.566 13.818 15.267 417 H ALA 54 H ALA 54 -2.246 14.998 12.185 418 HA ALA 54 HA ALA 54 -2.554 17.558 13.331 419 1HB ALA 54 1HB ALA 54 -0.394 16.919 12.526 420 2HB ALA 54 2HB ALA 54 -0.947 18.225 11.478 421 3HB ALA 54 3HB ALA 54 -1.032 16.551 10.926 422 H GLN 55 H GLN 55 -3.583 16.075 10.303 423 HA GLN 55 HA GLN 55 -4.784 18.534 9.303 424 1HB GLN 55 2HB GLN 55 -4.572 15.704 8.278 425 2HB GLN 55 1HB GLN 55 -5.502 16.953 7.437 426 1HG GLN 55 2HG GLN 55 -3.550 18.317 7.122 427 2HG GLN 55 1HG GLN 55 -2.594 17.316 8.213 428 1HE2 GLN 55 1HE2 GLN 55 -2.632 14.851 7.455 429 2HE2 GLN 55 2HE2 GLN 55 -2.345 14.619 5.798 430 H ALA 56 H ALA 56 -5.687 16.246 11.535 431 HA ALA 56 HA ALA 56 -8.469 15.957 10.805 432 1HB ALA 56 1HB ALA 56 -7.312 14.199 12.100 433 2HB ALA 56 2HB ALA 56 -8.700 14.835 12.979 434 3HB ALA 56 3HB ALA 56 -7.070 15.339 13.422 435 HA PRO 57 HA PRO 57 -10.264 19.716 12.203 436 1HB PRO 57 2HB PRO 57 -12.365 18.413 13.647 437 2HB PRO 57 1HB PRO 57 -12.408 19.060 12.004 438 1HG PRO 57 2HG PRO 57 -11.963 16.323 12.928 439 2HG PRO 57 1HG PRO 57 -12.739 16.909 11.449 440 1HD PRO 57 2HD PRO 57 -10.325 15.815 11.368 441 2HD PRO 57 1HD PRO 57 -10.698 17.247 10.377 442 H LYS 58 H LYS 58 -8.563 20.183 13.610 443 HA LYS 58 HA LYS 58 -9.197 19.968 16.468 444 1HB LYS 58 2HB LYS 58 -6.552 19.317 15.230 445 2HB LYS 58 1HB LYS 58 -6.791 19.544 16.954 446 1HG LYS 58 2HG LYS 58 -8.458 17.700 16.943 447 2HG LYS 58 1HG LYS 58 -8.158 17.455 15.223 448 1HD LYS 58 2HD LYS 58 -5.745 17.034 15.757 449 2HD LYS 58 1HD LYS 58 -6.149 17.128 17.471 450 1HE LYS 58 2HE LYS 58 -7.129 15.067 17.485 451 2HE LYS 58 1HE LYS 58 -7.866 15.297 15.900 452 1HZ LYS 58 1HZ LYS 58 -6.250 13.629 15.642 453 2HZ LYS 58 2HZ LYS 58 -5.080 14.501 16.511 454 3HZ LYS 58 3HZ LYS 58 -5.565 15.027 14.970 455 1H VAL 1 1HT VAL 1 -11.499 -6.765 8.953 456 2H VAL 1 2HT VAL 1 -11.082 -7.047 7.330 457 3H VAL 1 3HT VAL 1 -12.457 -7.789 7.998 458 HA VAL 1 HA VAL 1 -13.380 -5.503 8.382 459 HB VAL 1 HB VAL 1 -11.174 -4.793 6.410 460 1HG1 VAL 1 1HG1 VAL 1 -13.190 -3.477 6.049 461 2HG1 VAL 1 2HG1 VAL 1 -11.994 -2.462 6.852 462 3HG1 VAL 1 3HG1 VAL 1 -13.330 -3.148 7.777 463 1HG2 VAL 1 1HG2 VAL 1 -10.355 -3.345 8.318 464 2HG2 VAL 1 2HG2 VAL 1 -10.168 -5.076 8.594 465 3HG2 VAL 1 3HG2 VAL 1 -11.485 -4.197 9.371 466 H ASP 2 H ASP 2 -11.828 -6.310 5.274 467 HA ASP 2 HA ASP 2 -14.416 -6.327 3.921 468 1HB ASP 2 2HB ASP 2 -13.074 -6.511 1.871 469 2HB ASP 2 1HB ASP 2 -12.478 -5.198 2.880 470 H ASN 3 H ASN 3 -13.605 -8.246 1.913 471 HA ASN 3 HA ASN 3 -14.708 -10.607 2.920 472 1HB ASN 3 2HB ASN 3 -14.504 -9.823 0.489 473 2HB ASN 3 1HB ASN 3 -12.854 -10.435 0.537 474 1HD2 ASN 3 1HD2 ASN 3 -13.212 -12.192 -0.940 475 2HD2 ASN 3 2HD2 ASN 3 -14.214 -13.509 -0.562 476 H LYS 4 H LYS 4 -13.402 -12.781 2.510 477 HA LYS 4 HA LYS 4 -11.597 -13.191 4.569 478 1HB LYS 4 2HB LYS 4 -10.834 -15.184 3.044 479 2HB LYS 4 1HB LYS 4 -12.461 -15.165 3.722 480 1HG LYS 4 2HG LYS 4 -13.458 -14.805 1.686 481 2HG LYS 4 1HG LYS 4 -12.150 -13.781 1.104 482 1HD LYS 4 2HD LYS 4 -12.265 -15.921 -0.145 483 2HD LYS 4 1HD LYS 4 -10.740 -15.755 0.726 484 1HE LYS 4 2HE LYS 4 -11.424 -17.236 2.433 485 2HE LYS 4 1HE LYS 4 -13.111 -17.171 1.927 486 1HZ LYS 4 1HZ LYS 4 -12.521 -18.290 -0.119 487 2HZ LYS 4 2HZ LYS 4 -12.021 -19.221 1.211 488 3HZ LYS 4 3HZ LYS 4 -10.884 -18.317 0.327 489 H PHE 5 H PHE 5 -11.056 -12.198 1.306 490 HA PHE 5 HA PHE 5 -8.283 -12.468 1.154 491 1HB PHE 5 2HB PHE 5 -10.349 -10.935 -0.340 492 2HB PHE 5 1HB PHE 5 -8.657 -10.500 -0.586 493 HD1 PHE 5 1HD PHE 5 -7.885 -11.472 -2.572 494 HD2 PHE 5 2HD PHE 5 -10.378 -13.754 0.083 495 HE1 PHE 5 1HE PHE 5 -7.585 -13.462 -4.012 496 HE2 PHE 5 2HE PHE 5 -10.082 -15.748 -1.371 497 HZ PHE 5 HZ PHE 5 -8.680 -15.603 -3.410 498 H ASN 6 H ASN 6 -9.742 -10.650 3.439 499 HA ASN 6 HA ASN 6 -8.533 -8.115 3.322 500 1HB ASN 6 2HB ASN 6 -10.222 -8.884 5.037 501 2HB ASN 6 1HB ASN 6 -8.932 -9.785 5.824 502 1HD2 ASN 6 1HD2 ASN 6 -6.788 -8.054 5.863 503 2HD2 ASN 6 2HD2 ASN 6 -7.192 -6.610 6.659 504 H LYS 7 H LYS 7 -7.325 -11.150 4.709 505 HA LYS 7 HA LYS 7 -4.767 -10.171 5.464 506 1HB LYS 7 2HB LYS 7 -5.749 -12.262 6.343 507 2HB LYS 7 1HB LYS 7 -5.645 -12.978 4.741 508 1HG LYS 7 2HG LYS 7 -3.173 -12.678 4.783 509 2HG LYS 7 1HG LYS 7 -3.304 -12.018 6.412 510 1HD LYS 7 2HD LYS 7 -2.745 -14.316 6.711 511 2HD LYS 7 1HD LYS 7 -4.469 -14.210 7.055 512 1HE LYS 7 2HE LYS 7 -3.583 -14.811 4.244 513 2HE LYS 7 1HE LYS 7 -3.550 -16.099 5.446 514 1HZ LYS 7 1HZ LYS 7 -5.701 -16.354 5.041 515 2HZ LYS 7 2HZ LYS 7 -5.781 -14.932 4.115 516 3HZ LYS 7 3HZ LYS 7 -5.970 -14.863 5.802 517 H GLU 8 H GLU 8 -5.992 -11.847 2.604 518 HA GLU 8 HA GLU 8 -3.563 -12.057 1.180 519 1HB GLU 8 2HB GLU 8 -6.464 -12.007 0.282 520 2HB GLU 8 1HB GLU 8 -5.124 -12.291 -0.826 521 1HG GLU 8 2HG GLU 8 -5.500 -14.479 -0.290 522 2HG GLU 8 1HG GLU 8 -4.506 -14.093 1.113 523 H ARG 9 H ARG 9 -5.920 -9.485 1.485 524 HA ARG 9 HA ARG 9 -5.104 -7.946 -0.748 525 1HB ARG 9 2HB ARG 9 -7.313 -7.824 0.475 526 2HB ARG 9 1HB ARG 9 -6.466 -6.999 1.781 527 1HG ARG 9 2HG ARG 9 -5.637 -5.376 -0.074 528 2HG ARG 9 1HG ARG 9 -6.933 -6.077 -1.046 529 1HD ARG 9 2HD ARG 9 -7.739 -4.075 0.109 530 2HD ARG 9 1HD ARG 9 -8.560 -5.505 0.726 531 HE ARG 9 HE ARG 9 -6.207 -4.393 2.127 532 1HH1 ARG 9 1HH2 ARG 9 -9.151 -3.356 2.582 533 2HH1 ARG 9 2HH2 ARG 9 -9.520 -4.189 4.052 534 1HH2 ARG 9 1HH1 ARG 9 -6.841 -6.361 3.797 535 2HH2 ARG 9 2HH1 ARG 9 -8.212 -5.882 4.738 536 H VAL 10 H VAL 10 -4.394 -7.917 2.732 537 HA VAL 10 HA VAL 10 -2.772 -5.639 2.865 538 HB VAL 10 HB VAL 10 -2.438 -8.157 4.459 539 1HG1 VAL 10 1HG1 VAL 10 -0.615 -6.888 5.033 540 2HG1 VAL 10 2HG1 VAL 10 -1.797 -6.306 6.212 541 3HG1 VAL 10 3HG1 VAL 10 -1.454 -5.360 4.761 542 1HG2 VAL 10 1HG2 VAL 10 -4.462 -7.819 5.353 543 2HG2 VAL 10 2HG2 VAL 10 -4.705 -6.400 4.341 544 3HG2 VAL 10 3HG2 VAL 10 -3.934 -6.238 5.928 545 H ILE 11 H ILE 11 -2.033 -8.975 2.047 546 HA ILE 11 HA ILE 11 0.794 -8.668 1.919 547 HB ILE 11 HB ILE 11 -0.915 -10.686 0.444 548 1HG1 ILE 11 2HG1 ILE 11 -0.872 -10.269 3.204 549 2HG1 ILE 11 1HG1 ILE 11 -1.342 -11.760 2.400 550 1HG2 ILE 11 1HG2 ILE 11 1.158 -12.071 0.656 551 2HG2 ILE 11 2HG2 ILE 11 1.984 -10.672 1.343 552 3HG2 ILE 11 3HG2 ILE 11 1.396 -10.623 -0.321 553 1HD1 ILE 11 1HD1 ILE 11 0.293 -12.349 4.055 554 2HD1 ILE 11 2HD1 ILE 11 1.378 -11.056 3.545 555 3HD1 ILE 11 3HD1 ILE 11 1.113 -12.456 2.503 556 H ALA 12 H ALA 12 -1.845 -8.355 -0.441 557 HA ALA 12 HA ALA 12 -0.168 -7.999 -2.691 558 1HB ALA 12 1HB ALA 12 -2.442 -8.625 -3.111 559 2HB ALA 12 2HB ALA 12 -2.262 -6.972 -3.706 560 3HB ALA 12 3HB ALA 12 -3.044 -7.276 -2.151 561 H ILE 13 H ILE 13 -1.722 -5.774 -0.447 562 HA ILE 13 HA ILE 13 -0.950 -3.381 -1.719 563 HB ILE 13 HB ILE 13 -1.189 -3.977 1.260 564 1HG1 ILE 13 2HG1 ILE 13 -3.230 -2.673 -0.514 565 2HG1 ILE 13 1HG1 ILE 13 -3.198 -4.417 -0.294 566 1HG2 ILE 13 1HG2 ILE 13 -1.198 -1.386 -0.302 567 2HG2 ILE 13 2HG2 ILE 13 -0.090 -1.850 0.980 568 3HG2 ILE 13 3HG2 ILE 13 -1.789 -1.526 1.355 569 1HD1 ILE 13 1HD1 ILE 13 -3.547 -2.303 1.801 570 2HD1 ILE 13 2HD1 ILE 13 -3.271 -3.986 2.190 571 3HD1 ILE 13 3HD1 ILE 13 -4.729 -3.515 1.321 572 H GLY 14 H GLY 14 0.628 -5.612 0.473 573 1HA GLY 14 2HA GLY 14 3.062 -4.220 0.854 574 2HA GLY 14 1HA GLY 14 2.818 -5.954 1.033 575 H GLU 15 H GLU 15 2.014 -6.572 -1.610 576 HA GLU 15 HA GLU 15 4.523 -6.914 -2.847 577 1HB GLU 15 2HB GLU 15 2.249 -8.209 -3.124 578 2HB GLU 15 1HB GLU 15 1.987 -7.051 -4.417 579 1HG GLU 15 2HG GLU 15 3.342 -8.222 -5.795 580 2HG GLU 15 1HG GLU 15 4.662 -8.066 -4.630 581 H ILE 16 H ILE 16 1.779 -4.716 -3.508 582 HA ILE 16 HA ILE 16 2.897 -3.549 -5.835 583 HB ILE 16 HB ILE 16 1.545 -1.708 -3.858 584 1HG1 ILE 16 2HG1 ILE 16 0.220 -3.834 -3.812 585 2HG1 ILE 16 1HG1 ILE 16 -0.666 -2.459 -4.420 586 1HG2 ILE 16 1HG2 ILE 16 1.326 -2.067 -6.859 587 2HG2 ILE 16 2HG2 ILE 16 2.269 -0.842 -6.022 588 3HG2 ILE 16 3HG2 ILE 16 0.514 -0.828 -5.910 589 1HD1 ILE 16 1HD1 ILE 16 -0.987 -4.535 -5.764 590 2HD1 ILE 16 2HD1 ILE 16 0.727 -4.475 -6.180 591 3HD1 ILE 16 3HD1 ILE 16 -0.356 -3.168 -6.687 592 H MET 17 H MET 17 3.137 -2.563 -2.478 593 HA MET 17 HA MET 17 4.887 -0.381 -2.722 594 1HB MET 17 2HB MET 17 4.531 -2.258 -0.403 595 2HB MET 17 1HB MET 17 5.141 -0.596 -0.354 596 1HG MET 17 2HG MET 17 2.410 -1.298 -1.439 597 2HG MET 17 1HG MET 17 2.671 -0.848 0.237 598 1HE MET 17 1HE MET 17 3.368 2.350 0.621 599 2HE MET 17 2HE MET 17 4.876 1.960 -0.203 600 3HE MET 17 3HE MET 17 4.106 0.750 0.839 601 H ARG 18 H ARG 18 5.530 -3.860 -2.485 602 HA ARG 18 HA ARG 18 8.324 -3.663 -2.022 603 1HB ARG 18 2HB ARG 18 6.661 -5.831 -3.231 604 2HB ARG 18 1HB ARG 18 8.379 -5.996 -2.950 605 1HG ARG 18 2HG ARG 18 7.154 -5.005 -0.553 606 2HG ARG 18 1HG ARG 18 6.248 -6.402 -1.114 607 1HD ARG 18 2HD ARG 18 9.255 -6.365 -0.771 608 2HD ARG 18 1HD ARG 18 8.130 -6.988 0.432 609 HE ARG 18 HE ARG 18 9.007 -8.359 -1.905 610 1HH1 ARG 18 1HH1 ARG 18 6.191 -8.144 -2.699 611 2HH1 ARG 18 2HH1 ARG 18 5.435 -9.477 -1.893 612 1HH2 ARG 18 1HH2 ARG 18 8.041 -9.934 0.345 613 2HH2 ARG 18 2HH2 ARG 18 6.483 -10.489 -0.167 614 H LEU 19 H LEU 19 6.332 -3.756 -4.931 615 HA LEU 19 HA LEU 19 8.357 -4.088 -6.851 616 1HB LEU 19 2HB LEU 19 5.768 -2.567 -7.086 617 2HB LEU 19 1HB LEU 19 6.772 -3.032 -8.425 618 HG LEU 19 HG LEU 19 5.527 -4.985 -6.490 619 1HD1 LEU 19 1HD1 LEU 19 3.972 -5.477 -8.368 620 2HD1 LEU 19 2HD1 LEU 19 4.654 -4.110 -9.250 621 3HD1 LEU 19 3HD1 LEU 19 3.779 -3.846 -7.741 622 1HD2 LEU 19 1HD2 LEU 19 7.615 -5.312 -8.258 623 2HD2 LEU 19 2HD2 LEU 19 6.221 -5.868 -9.174 624 3HD2 LEU 19 3HD2 LEU 19 6.599 -6.595 -7.615 625 HA PRO 20 HA PRO 20 10.185 -0.045 -6.147 626 1HB PRO 20 2HB PRO 20 12.464 -0.914 -7.681 627 2HB PRO 20 1HB PRO 20 12.334 -0.699 -5.932 628 1HG PRO 20 2HG PRO 20 12.674 -3.098 -7.191 629 2HG PRO 20 1HG PRO 20 11.975 -2.894 -5.576 630 1HD PRO 20 2HD PRO 20 10.584 -3.333 -8.192 631 2HD PRO 20 1HD PRO 20 10.203 -3.977 -6.577 632 H ASN 21 H ASN 21 9.302 -1.527 -9.136 633 HA ASN 21 HA ASN 21 10.242 0.726 -10.749 634 1HB ASN 21 2HB ASN 21 8.749 -1.747 -11.607 635 2HB ASN 21 1HB ASN 21 9.500 -0.567 -12.662 636 1HD2 ASN 21 1HD2 ASN 21 10.120 -3.518 -12.243 637 2HD2 ASN 21 2HD2 ASN 21 11.777 -3.554 -11.877 638 H LEU 22 H LEU 22 7.316 -0.256 -9.136 639 HA LEU 22 HA LEU 22 5.504 1.084 -10.902 640 1HB LEU 22 2HB LEU 22 5.119 0.426 -7.984 641 2HB LEU 22 1HB LEU 22 3.861 0.945 -9.081 642 HG LEU 22 HG LEU 22 5.422 -1.636 -9.118 643 1HD1 LEU 22 1HD1 LEU 22 3.523 -1.832 -7.711 644 2HD1 LEU 22 2HD1 LEU 22 2.972 -2.475 -9.262 645 3HD1 LEU 22 3HD1 LEU 22 2.529 -0.840 -8.775 646 1HD2 LEU 22 1HD2 LEU 22 5.368 -1.086 -11.379 647 2HD2 LEU 22 2HD2 LEU 22 3.805 -0.265 -11.222 648 3HD2 LEU 22 3HD2 LEU 22 3.887 -2.014 -11.164 649 H ASN 23 H ASN 23 4.341 2.959 -10.546 650 HA ASN 23 HA ASN 23 5.901 5.179 -9.480 651 1HB ASN 23 2HB ASN 23 4.947 5.949 -11.412 652 2HB ASN 23 1HB ASN 23 3.716 4.722 -11.411 653 1HD2 ASN 23 1HD2 ASN 23 1.944 6.052 -11.901 654 2HD2 ASN 23 2HD2 ASN 23 1.411 7.300 -10.884 655 H SER 24 H SER 24 4.993 6.670 -7.893 656 HA SER 24 HA SER 24 3.919 5.414 -5.616 657 1HB SER 24 2HB SER 24 3.642 7.669 -4.725 658 2HB SER 24 1HB SER 24 5.158 7.583 -5.618 659 HG SER 24 HG SER 24 3.832 8.365 -7.454 660 H LEU 25 H LEU 25 2.427 7.355 -8.140 661 HA LEU 25 HA LEU 25 -0.236 7.162 -7.171 662 1HB LEU 25 2HB LEU 25 1.116 8.508 -9.301 663 2HB LEU 25 1HB LEU 25 -0.255 7.650 -9.948 664 HG LEU 25 HG LEU 25 -0.380 9.446 -7.570 665 1HD1 LEU 25 1HD1 LEU 25 -1.499 11.059 -9.068 666 2HD1 LEU 25 2HD1 LEU 25 -1.217 9.976 -10.431 667 3HD1 LEU 25 3HD1 LEU 25 0.148 10.732 -9.609 668 1HD2 LEU 25 1HD2 LEU 25 -2.898 9.184 -8.646 669 2HD2 LEU 25 2HD2 LEU 25 -2.276 8.259 -7.279 670 3HD2 LEU 25 3HD2 LEU 25 -2.192 7.588 -8.906 671 H GLN 26 H GLN 26 1.764 5.272 -9.402 672 HA GLN 26 HA GLN 26 -0.335 3.708 -10.508 673 1HB GLN 26 2HB GLN 26 2.604 3.464 -10.303 674 2HB GLN 26 1HB GLN 26 1.729 1.959 -10.516 675 1HG GLN 26 2HG GLN 26 0.658 2.835 -12.543 676 2HG GLN 26 1HG GLN 26 1.477 4.381 -12.327 677 1HE2 GLN 26 1HE2 GLN 26 3.515 1.870 -11.299 678 2HE2 GLN 26 2HE2 GLN 26 4.419 1.710 -12.723 679 H VAL 27 H VAL 27 1.714 3.416 -7.701 680 HA VAL 27 HA VAL 27 0.832 0.883 -6.849 681 HB VAL 27 HB VAL 27 2.174 3.168 -5.415 682 1HG1 VAL 27 1HG1 VAL 27 1.387 2.136 -3.521 683 2HG1 VAL 27 2HG1 VAL 27 2.693 1.003 -3.853 684 3HG1 VAL 27 3HG1 VAL 27 1.049 0.622 -4.353 685 1HG2 VAL 27 1HG2 VAL 27 3.625 0.685 -5.666 686 2HG2 VAL 27 2HG2 VAL 27 4.028 2.267 -6.331 687 3HG2 VAL 27 3HG2 VAL 27 2.993 1.162 -7.239 688 H VAL 28 H VAL 28 -0.130 4.161 -6.105 689 HA VAL 28 HA VAL 28 -2.157 3.526 -4.254 690 HB VAL 28 HB VAL 28 -1.887 5.874 -6.160 691 1HG1 VAL 28 1HG1 VAL 28 -4.144 5.119 -4.835 692 2HG1 VAL 28 2HG1 VAL 28 -3.751 6.788 -5.236 693 3HG1 VAL 28 3HG1 VAL 28 -3.383 6.156 -3.631 694 1HG2 VAL 28 1HG2 VAL 28 -1.436 6.364 -3.310 695 2HG2 VAL 28 2HG2 VAL 28 -0.403 6.754 -4.687 696 3HG2 VAL 28 3HG2 VAL 28 -0.311 5.159 -3.941 697 H ALA 29 H ALA 29 -1.958 3.595 -7.761 698 HA ALA 29 HA ALA 29 -4.680 3.442 -8.433 699 1HB ALA 29 1HB ALA 29 -2.336 3.538 -9.849 700 2HB ALA 29 2HB ALA 29 -3.903 3.161 -10.563 701 3HB ALA 29 3HB ALA 29 -2.807 1.856 -10.101 702 H PHE 30 H PHE 30 -2.247 0.942 -7.735 703 HA PHE 30 HA PHE 30 -4.051 -1.201 -8.090 704 1HB PHE 30 2HB PHE 30 -1.296 -0.996 -6.830 705 2HB PHE 30 1HB PHE 30 -2.156 -2.512 -7.122 706 HD1 PHE 30 1HD PHE 30 -3.311 -2.421 -9.764 707 HD2 PHE 30 2HD PHE 30 0.376 -0.569 -8.438 708 HE1 PHE 30 1HE PHE 30 -2.513 -2.275 -12.070 709 HE2 PHE 30 2HE PHE 30 1.128 -0.461 -10.758 710 HZ PHE 30 HZ PHE 30 -0.302 -1.316 -12.587 711 H ILE 31 H ILE 31 -2.743 0.518 -5.232 712 HA ILE 31 HA ILE 31 -3.941 -1.083 -3.251 713 HB ILE 31 HB ILE 31 -3.317 1.881 -3.204 714 1HG1 ILE 31 2HG1 ILE 31 -1.746 -0.412 -1.993 715 2HG1 ILE 31 1HG1 ILE 31 -1.408 0.203 -3.604 716 1HG2 ILE 31 1HG2 ILE 31 -4.900 1.353 -1.431 717 2HG2 ILE 31 2HG2 ILE 31 -3.298 1.529 -0.711 718 3HG2 ILE 31 3HG2 ILE 31 -3.973 -0.077 -0.983 719 1HD1 ILE 31 1HD1 ILE 31 0.044 1.281 -1.890 720 2HD1 ILE 31 2HD1 ILE 31 -1.409 1.873 -1.070 721 3HD1 ILE 31 3HD1 ILE 31 -1.014 2.445 -2.697 722 H ASN 32 H ASN 32 -5.094 1.862 -4.839 723 HA ASN 32 HA ASN 32 -7.577 2.075 -3.556 724 1HB ASN 32 2HB ASN 32 -6.445 3.819 -4.978 725 2HB ASN 32 1HB ASN 32 -6.926 2.896 -6.394 726 1HD2 ASN 32 1HD2 ASN 32 -8.278 4.659 -7.099 727 2HD2 ASN 32 2HD2 ASN 32 -9.766 4.990 -6.352 728 H SER 33 H SER 33 -6.505 0.028 -6.228 729 HA SER 33 HA SER 33 -9.154 -0.638 -7.043 730 1HB SER 33 2HB SER 33 -6.431 -1.459 -7.824 731 2HB SER 33 1HB SER 33 -7.788 -2.495 -8.270 732 HG SER 33 HG SER 33 -7.873 0.290 -8.688 733 H LEU 34 H LEU 34 -6.823 -1.832 -4.723 734 HA LEU 34 HA LEU 34 -8.016 -4.399 -4.320 735 1HB LEU 34 2HB LEU 34 -6.800 -2.836 -2.056 736 2HB LEU 34 1HB LEU 34 -6.771 -4.563 -2.332 737 HG LEU 34 HG LEU 34 -5.222 -2.468 -3.848 738 1HD1 LEU 34 1HD1 LEU 34 -4.590 -3.611 -1.508 739 2HD1 LEU 34 2HD1 LEU 34 -3.386 -3.106 -2.700 740 3HD1 LEU 34 3HD1 LEU 34 -3.895 -4.798 -2.610 741 1HD2 LEU 34 1HD2 LEU 34 -5.633 -5.375 -4.344 742 2HD2 LEU 34 2HD2 LEU 34 -4.195 -4.559 -4.915 743 3HD2 LEU 34 3HD2 LEU 34 -5.785 -4.046 -5.465 744 H ARG 35 H ARG 35 -8.443 -1.158 -2.968 745 HA ARG 35 HA ARG 35 -10.542 -1.685 -1.127 746 1HB ARG 35 2HB ARG 35 -9.905 0.779 -2.773 747 2HB ARG 35 1HB ARG 35 -11.229 0.734 -1.618 748 1HG ARG 35 2HG ARG 35 -9.562 0.057 0.137 749 2HG ARG 35 1HG ARG 35 -8.285 0.348 -1.046 750 1HD ARG 35 2HD ARG 35 -8.595 2.627 -1.018 751 2HD ARG 35 1HD ARG 35 -10.285 2.507 -0.533 752 HE ARG 35 HE ARG 35 -8.250 1.670 1.433 753 1HH1 ARG 35 1HH2 ARG 35 -8.027 4.617 1.187 754 2HH1 ARG 35 2HH2 ARG 35 -9.227 5.198 2.289 755 1HH2 ARG 35 1HH1 ARG 35 -10.905 2.177 2.473 756 2HH2 ARG 35 2HH1 ARG 35 -10.852 3.820 3.017 757 H ASP 36 H ASP 36 -10.527 -0.907 -4.556 758 HA ASP 36 HA ASP 36 -13.325 -0.831 -4.977 759 1HB ASP 36 2HB ASP 36 -11.024 -1.411 -6.867 760 2HB ASP 36 1HB ASP 36 -12.681 -1.106 -7.380 761 H ASP 37 H ASP 37 -10.938 -3.410 -5.038 762 HA ASP 37 HA ASP 37 -12.999 -5.442 -4.811 763 1HB ASP 37 2HB ASP 37 -11.620 -4.919 -7.367 764 2HB ASP 37 1HB ASP 37 -11.562 -6.595 -6.841 765 HA PRO 38 HA PRO 38 -9.283 -6.536 -2.474 766 1HB PRO 38 2HB PRO 38 -11.020 -7.980 -0.702 767 2HB PRO 38 1HB PRO 38 -10.112 -6.502 -0.385 768 1HG PRO 38 2HG PRO 38 -12.869 -6.734 -0.584 769 2HG PRO 38 1HG PRO 38 -11.935 -5.232 -0.613 770 1HD PRO 38 2HD PRO 38 -13.241 -6.659 -2.842 771 2HD PRO 38 1HD PRO 38 -12.745 -4.956 -2.721 772 H SER 39 H SER 39 -11.928 -8.412 -3.736 773 HA SER 39 HA SER 39 -10.865 -11.017 -3.327 774 1HB SER 39 2HB SER 39 -12.795 -10.034 -5.451 775 2HB SER 39 1HB SER 39 -12.517 -11.717 -5.005 776 HG SER 39 HG SER 39 -14.123 -9.902 -3.863 777 H GLN 40 H GLN 40 -10.675 -8.621 -5.911 778 HA GLN 40 HA GLN 40 -8.764 -10.285 -7.348 779 1HB GLN 40 2HB GLN 40 -9.469 -7.726 -8.587 780 2HB GLN 40 1HB GLN 40 -9.391 -9.327 -9.273 781 1HG GLN 40 2HG GLN 40 -11.664 -8.610 -7.438 782 2HG GLN 40 1HG GLN 40 -11.717 -8.197 -9.145 783 1HE2 GLN 40 1HE2 GLN 40 -11.759 -10.893 -6.861 784 2HE2 GLN 40 2HE2 GLN 40 -12.168 -12.080 -8.002 785 H SER 41 H SER 41 -8.275 -8.744 -4.785 786 HA SER 41 HA SER 41 -6.720 -6.487 -5.282 787 1HB SER 41 2HB SER 41 -7.303 -7.120 -3.002 788 2HB SER 41 1HB SER 41 -6.493 -8.675 -3.173 789 HG SER 41 HG SER 41 -5.485 -6.213 -2.547 790 H ALA 42 H ALA 42 -6.084 -9.846 -5.559 791 HA ALA 42 HA ALA 42 -3.262 -9.754 -6.003 792 1HB ALA 42 1HB ALA 42 -5.185 -11.904 -6.884 793 2HB ALA 42 2HB ALA 42 -4.680 -11.722 -5.200 794 3HB ALA 42 3HB ALA 42 -3.481 -12.077 -6.447 795 H ASN 43 H ASN 43 -6.114 -9.385 -7.952 796 HA ASN 43 HA ASN 43 -5.078 -10.009 -10.498 797 1HB ASN 43 2HB ASN 43 -7.461 -9.860 -9.691 798 2HB ASN 43 1HB ASN 43 -7.303 -8.123 -9.956 799 1HD2 ASN 43 1HD2 ASN 43 -6.427 -7.550 -12.263 800 2HD2 ASN 43 2HD2 ASN 43 -7.009 -8.493 -13.549 801 H LEU 44 H LEU 44 -5.799 -6.866 -8.995 802 HA LEU 44 HA LEU 44 -4.522 -5.518 -11.115 803 1HB LEU 44 2HB LEU 44 -5.081 -3.452 -10.036 804 2HB LEU 44 1HB LEU 44 -6.462 -4.520 -9.973 805 HG LEU 44 HG LEU 44 -6.032 -3.224 -7.923 806 1HD1 LEU 44 1HD1 LEU 44 -5.832 -6.004 -7.073 807 2HD1 LEU 44 2HD1 LEU 44 -7.107 -5.628 -8.225 808 3HD1 LEU 44 3HD1 LEU 44 -7.032 -4.764 -6.686 809 1HD2 LEU 44 1HD2 LEU 44 -4.226 -3.396 -6.636 810 2HD2 LEU 44 2HD2 LEU 44 -3.458 -3.805 -8.141 811 3HD2 LEU 44 3HD2 LEU 44 -3.965 -5.081 -7.031 812 H LEU 45 H LEU 45 -3.667 -6.869 -8.082 813 HA LEU 45 HA LEU 45 -1.168 -5.541 -7.747 814 1HB LEU 45 2HB LEU 45 -1.974 -6.828 -5.892 815 2HB LEU 45 1HB LEU 45 -2.208 -8.250 -6.902 816 HG LEU 45 HG LEU 45 0.525 -7.017 -6.611 817 1HD1 LEU 45 1HD1 LEU 45 0.801 -8.854 -4.824 818 2HD1 LEU 45 2HD1 LEU 45 -0.954 -8.790 -4.702 819 3HD1 LEU 45 3HD1 LEU 45 0.007 -7.345 -4.394 820 1HD2 LEU 45 1HD2 LEU 45 0.866 -9.705 -6.760 821 2HD2 LEU 45 2HD2 LEU 45 0.777 -8.660 -8.174 822 3HD2 LEU 45 3HD2 LEU 45 -0.651 -9.545 -7.648 823 H ALA 46 H ALA 46 -2.484 -8.247 -9.468 824 HA ALA 46 HA ALA 46 -0.121 -9.371 -10.556 825 1HB ALA 46 1HB ALA 46 -2.316 -9.459 -12.452 826 2HB ALA 46 2HB ALA 46 -2.935 -9.776 -10.832 827 3HB ALA 46 3HB ALA 46 -1.640 -10.775 -11.495 828 H GLU 47 H GLU 47 -2.326 -6.833 -11.556 829 HA GLU 47 HA GLU 47 -1.079 -6.047 -13.951 830 1HB GLU 47 2HB GLU 47 -2.749 -4.438 -11.992 831 2HB GLU 47 1HB GLU 47 -2.276 -3.884 -13.590 832 1HG GLU 47 2HG GLU 47 -4.023 -6.236 -12.896 833 2HG GLU 47 1HG GLU 47 -4.524 -4.732 -13.646 834 H ALA 48 H ALA 48 -0.521 -5.375 -10.553 835 HA ALA 48 HA ALA 48 1.191 -3.130 -10.860 836 1HB ALA 48 1HB ALA 48 1.414 -5.029 -8.583 837 2HB ALA 48 2HB ALA 48 -0.131 -4.206 -8.828 838 3HB ALA 48 3HB ALA 48 1.336 -3.266 -8.574 839 H LYS 49 H LYS 49 1.763 -6.552 -10.199 840 HA LYS 49 HA LYS 49 4.574 -6.396 -10.179 841 1HB LYS 49 2HB LYS 49 2.614 -8.619 -10.638 842 2HB LYS 49 1HB LYS 49 4.353 -8.903 -10.668 843 1HG LYS 49 2HG LYS 49 4.408 -7.792 -8.367 844 2HG LYS 49 1HG LYS 49 2.652 -7.928 -8.372 845 1HD LYS 49 2HD LYS 49 4.628 -10.217 -8.642 846 2HD LYS 49 1HD LYS 49 3.637 -9.864 -7.236 847 1HE LYS 49 2HE LYS 49 2.111 -11.279 -8.121 848 2HE LYS 49 1HE LYS 49 1.778 -10.015 -9.302 849 1HZ LYS 49 1HZ LYS 49 3.753 -12.210 -9.581 850 2HZ LYS 49 2HZ LYS 49 3.553 -10.943 -10.694 851 3HZ LYS 49 3HZ LYS 49 2.293 -12.051 -10.429 852 H LYS 50 H LYS 50 2.166 -6.855 -12.643 853 HA LYS 50 HA LYS 50 3.868 -7.339 -14.865 854 1HB LYS 50 2HB LYS 50 1.062 -6.323 -14.568 855 2HB LYS 50 1HB LYS 50 1.840 -6.456 -16.138 856 1HG LYS 50 2HG LYS 50 2.034 -8.817 -15.978 857 2HG LYS 50 1HG LYS 50 1.745 -8.807 -14.241 858 1HD LYS 50 2HD LYS 50 -0.238 -9.607 -15.537 859 2HD LYS 50 1HD LYS 50 -0.591 -8.170 -14.586 860 1HE LYS 50 2HE LYS 50 -1.515 -8.058 -16.907 861 2HE LYS 50 1HE LYS 50 -0.385 -6.751 -16.555 862 1HZ LYS 50 1HZ LYS 50 0.447 -9.279 -17.858 863 2HZ LYS 50 2HZ LYS 50 1.309 -7.819 -17.763 864 3HZ LYS 50 3HZ LYS 50 -0.076 -7.930 -18.741 865 H LEU 51 H LEU 51 2.486 -4.433 -13.386 866 HA LEU 51 HA LEU 51 3.428 -2.643 -15.406 867 1HB LEU 51 2HB LEU 51 2.015 -2.425 -12.854 868 2HB LEU 51 1HB LEU 51 3.204 -1.146 -13.068 869 HG LEU 51 HG LEU 51 0.985 -0.547 -13.992 870 1HD1 LEU 51 1HD1 LEU 51 2.120 -0.287 -16.477 871 2HD1 LEU 51 2HD1 LEU 51 3.544 -0.578 -15.472 872 3HD1 LEU 51 3HD1 LEU 51 2.456 0.769 -15.102 873 1HD2 LEU 51 1HD2 LEU 51 0.688 -1.786 -16.370 874 2HD2 LEU 51 2HD2 LEU 51 -0.055 -2.399 -14.895 875 3HD2 LEU 51 3HD2 LEU 51 1.450 -3.105 -15.479 876 H ASN 52 H ASN 52 4.586 -3.733 -12.319 877 HA ASN 52 HA ASN 52 6.916 -2.126 -12.188 878 1HB ASN 52 2HB ASN 52 6.160 -3.323 -10.234 879 2HB ASN 52 1HB ASN 52 6.304 -4.866 -11.058 880 1HD2 ASN 52 1HD2 ASN 52 8.537 -5.532 -11.678 881 2HD2 ASN 52 2HD2 ASN 52 9.853 -4.991 -10.752 882 H ASP 53 H ASP 53 6.051 -5.191 -13.589 883 HA ASP 53 HA ASP 53 8.651 -5.864 -14.599 884 1HB ASP 53 2HB ASP 53 5.877 -6.740 -15.438 885 2HB ASP 53 1HB ASP 53 7.351 -7.398 -16.135 886 H ALA 54 H ALA 54 5.918 -4.028 -15.766 887 HA ALA 54 HA ALA 54 6.720 -3.676 -18.453 888 1HB ALA 54 1HB ALA 54 5.105 -1.664 -16.922 889 2HB ALA 54 2HB ALA 54 4.439 -3.251 -17.305 890 3HB ALA 54 3HB ALA 54 4.944 -2.170 -18.604 891 H GLN 55 H GLN 55 7.312 -1.847 -15.486 892 HA GLN 55 HA GLN 55 8.880 0.170 -16.899 893 1HB GLN 55 2HB GLN 55 8.090 -0.166 -14.046 894 2HB GLN 55 1HB GLN 55 9.026 1.187 -14.644 895 1HG GLN 55 2HG GLN 55 7.227 2.088 -15.789 896 2HG GLN 55 1HG GLN 55 6.449 0.520 -16.004 897 1HE2 GLN 55 1HE2 GLN 55 6.022 -0.529 -13.625 898 2HE2 GLN 55 2HE2 GLN 55 5.196 0.516 -12.577 899 H ALA 56 H ALA 56 9.437 -2.862 -15.646 900 HA ALA 56 HA ALA 56 11.876 -2.522 -14.237 901 1HB ALA 56 1HB ALA 56 10.901 -4.910 -15.819 902 2HB ALA 56 2HB ALA 56 10.606 -4.615 -14.107 903 3HB ALA 56 3HB ALA 56 12.245 -4.920 -14.680 904 HA PRO 57 HA PRO 57 14.785 -1.984 -17.437 905 1HB PRO 57 2HB PRO 57 16.867 -3.468 -16.106 906 2HB PRO 57 1HB PRO 57 16.588 -1.722 -16.089 907 1HG PRO 57 2HG PRO 57 16.321 -3.345 -13.908 908 2HG PRO 57 1HG PRO 57 15.502 -1.787 -14.108 909 1HD PRO 57 2HD PRO 57 14.439 -4.550 -14.607 910 2HD PRO 57 1HD PRO 57 13.650 -3.167 -13.808 911 H LYS 58 H LYS 58 16.459 -3.149 -18.801 912 HA LYS 58 HA LYS 58 15.708 -5.943 -19.336 913 1HB LYS 58 2HB LYS 58 15.793 -3.608 -21.159 914 2HB LYS 58 1HB LYS 58 16.204 -5.185 -21.798 915 1HG LYS 58 2HG LYS 58 13.926 -5.272 -22.147 916 2HG LYS 58 1HG LYS 58 13.946 -5.850 -20.482 917 1HD LYS 58 2HD LYS 58 13.780 -3.311 -19.856 918 2HD LYS 58 1HD LYS 58 13.243 -3.106 -21.520 919 1HE LYS 58 2HE LYS 58 11.216 -3.438 -20.401 920 2HE LYS 58 1HE LYS 58 11.594 -5.071 -20.950 921 1HZ LYS 58 1HZ LYS 58 12.844 -5.142 -18.663 922 2HZ LYS 58 2HZ LYS 58 11.178 -5.460 -18.760 923 3HZ LYS 58 3HZ LYS 58 11.726 -3.934 -18.254 Start of MODEL 28 1 1H VAL 1 1HT VAL 1 4.946 -14.509 9.464 2 2H VAL 1 2HT VAL 1 5.786 -15.089 8.106 3 3H VAL 1 3HT VAL 1 5.429 -13.434 8.243 4 HA VAL 1 HA VAL 1 6.836 -13.362 10.274 5 HB VAL 1 HB VAL 1 7.645 -16.113 9.254 6 1HG1 VAL 1 1HG1 VAL 1 8.676 -14.399 11.539 7 2HG1 VAL 1 2HG1 VAL 1 9.578 -14.916 10.114 8 3HG1 VAL 1 3HG1 VAL 1 9.083 -16.101 11.321 9 1HG2 VAL 1 1HG2 VAL 1 6.156 -15.215 11.745 10 2HG2 VAL 1 2HG2 VAL 1 6.844 -16.826 11.546 11 3HG2 VAL 1 3HG2 VAL 1 5.558 -16.280 10.472 12 H ASP 2 H ASP 2 8.001 -15.238 7.466 13 HA ASP 2 HA ASP 2 10.256 -13.621 6.945 14 1HB ASP 2 2HB ASP 2 10.347 -14.811 4.797 15 2HB ASP 2 1HB ASP 2 10.001 -15.933 6.112 16 H ASN 3 H ASN 3 6.959 -13.582 5.711 17 HA ASN 3 HA ASN 3 7.511 -11.203 4.069 18 1HB ASN 3 2HB ASN 3 5.313 -11.667 3.061 19 2HB ASN 3 1HB ASN 3 6.369 -13.073 2.964 20 1HD2 ASN 3 1HD2 ASN 3 5.929 -14.879 4.476 21 2HD2 ASN 3 2HD2 ASN 3 4.399 -15.038 5.193 22 H LYS 4 H LYS 4 7.008 -11.528 7.162 23 HA LYS 4 HA LYS 4 4.597 -10.259 7.832 24 1HB LYS 4 2HB LYS 4 6.191 -11.360 9.436 25 2HB LYS 4 1HB LYS 4 7.225 -9.935 9.302 26 1HG LYS 4 2HG LYS 4 5.292 -8.523 10.020 27 2HG LYS 4 1HG LYS 4 4.343 -9.988 10.251 28 1HD LYS 4 2HD LYS 4 6.016 -10.792 11.901 29 2HD LYS 4 1HD LYS 4 6.915 -9.287 11.702 30 1HE LYS 4 2HE LYS 4 3.992 -9.145 12.364 31 2HE LYS 4 1HE LYS 4 5.138 -9.531 13.650 32 1HZ LYS 4 1HZ LYS 4 4.528 -7.032 12.699 33 2HZ LYS 4 2HZ LYS 4 6.056 -7.368 12.037 34 3HZ LYS 4 3HZ LYS 4 5.822 -7.433 13.719 35 H PHE 5 H PHE 5 7.805 -8.849 7.177 36 HA PHE 5 HA PHE 5 7.119 -6.173 7.579 37 1HB PHE 5 2HB PHE 5 9.191 -5.623 6.625 38 2HB PHE 5 1HB PHE 5 9.463 -7.229 7.288 39 HD1 PHE 5 1HD PHE 5 9.384 -5.195 4.286 40 HD2 PHE 5 2HD PHE 5 9.324 -9.245 5.737 41 HE1 PHE 5 1HE PHE 5 10.018 -6.015 2.038 42 HE2 PHE 5 2HE PHE 5 9.955 -10.059 3.481 43 HZ PHE 5 HZ PHE 5 10.303 -8.444 1.633 44 H ASN 6 H ASN 6 6.898 -8.266 4.731 45 HA ASN 6 HA ASN 6 6.147 -6.291 2.840 46 1HB ASN 6 2HB ASN 6 6.895 -8.615 2.311 47 2HB ASN 6 1HB ASN 6 5.359 -9.207 2.924 48 1HD2 ASN 6 1HD2 ASN 6 3.668 -9.318 1.433 49 2HD2 ASN 6 2HD2 ASN 6 3.682 -8.574 -0.097 50 H LYS 7 H LYS 7 4.308 -8.455 4.961 51 HA LYS 7 HA LYS 7 1.729 -7.672 4.124 52 1HB LYS 7 2HB LYS 7 2.380 -9.710 5.537 53 2HB LYS 7 1HB LYS 7 2.465 -8.607 6.907 54 1HG LYS 7 2HG LYS 7 0.143 -8.013 6.674 55 2HG LYS 7 1HG LYS 7 0.019 -8.873 5.140 56 1HD LYS 7 2HD LYS 7 0.991 -10.565 7.345 57 2HD LYS 7 1HD LYS 7 -0.628 -9.924 7.619 58 1HE LYS 7 2HE LYS 7 -1.267 -10.737 5.320 59 2HE LYS 7 1HE LYS 7 0.315 -11.507 5.215 60 1HZ LYS 7 1HZ LYS 7 -0.220 -12.761 7.225 61 2HZ LYS 7 2HZ LYS 7 -1.333 -13.072 5.979 62 3HZ LYS 7 3HZ LYS 7 -1.759 -12.049 7.269 63 H GLU 8 H GLU 8 3.958 -6.554 6.628 64 HA GLU 8 HA GLU 8 2.218 -4.585 7.693 65 1HB GLU 8 2HB GLU 8 5.199 -4.992 7.862 66 2HB GLU 8 1HB GLU 8 4.371 -3.652 8.669 67 1HG GLU 8 2HG GLU 8 2.973 -5.231 9.915 68 2HG GLU 8 1HG GLU 8 3.718 -6.588 9.076 69 H LEU 9 H LEU 9 4.694 -4.563 5.245 70 HA LEU 9 HA LEU 9 4.821 -1.773 4.677 71 1HB LEU 9 2HB LEU 9 6.514 -3.275 3.807 72 2HB LEU 9 1HB LEU 9 5.303 -4.241 2.971 73 HG LEU 9 HG LEU 9 4.722 -2.095 1.671 74 1HD1 LEU 9 1HD1 LEU 9 5.882 -0.224 1.967 75 2HD1 LEU 9 2HD1 LEU 9 7.412 -1.054 1.870 76 3HD1 LEU 9 3HD1 LEU 9 6.585 -0.924 3.431 77 1HD2 LEU 9 1HD2 LEU 9 7.436 -3.365 1.362 78 2HD2 LEU 9 2HD2 LEU 9 6.601 -2.415 0.130 79 3HD2 LEU 9 3HD2 LEU 9 5.919 -3.941 0.682 80 H GLY 10 H GLY 10 2.766 -4.401 3.557 81 1HA GLY 10 2HA GLY 10 1.277 -2.769 1.785 82 2HA GLY 10 1HA GLY 10 0.876 -4.397 2.299 83 H TRP 11 H TRP 11 0.928 -3.957 5.106 84 HA TRP 11 HA TRP 11 -1.668 -2.986 5.325 85 1HB TRP 11 2HB TRP 11 -0.373 -4.705 6.855 86 2HB TRP 11 1HB TRP 11 -0.215 -3.247 7.842 87 HD1 TRP 11 HD TRP 11 -2.017 -3.838 9.610 88 HE1 TRP 11 1HE TRP 11 -4.585 -4.069 9.553 89 HE3 TRP 11 3HE TRP 11 -2.895 -3.844 4.537 90 HZ2 TRP 11 2HZ TRP 11 -6.710 -4.167 7.658 91 HZ3 TRP 11 3HZ TRP 11 -5.142 -3.957 3.648 92 HH2 TRP 11 HH TRP 11 -7.091 -4.141 5.202 93 H ALA 12 H ALA 12 1.304 -1.613 6.562 94 HA ALA 12 HA ALA 12 0.075 0.575 7.732 95 1HB ALA 12 1HB ALA 12 2.256 0.684 8.337 96 2HB ALA 12 2HB ALA 12 2.489 1.587 6.838 97 3HB ALA 12 3HB ALA 12 2.785 -0.150 6.882 98 H THR 13 H THR 13 1.071 -0.057 4.404 99 HA THR 13 HA THR 13 0.631 2.444 3.202 100 HB THR 13 HB THR 13 0.439 -0.405 2.308 101 HG1 THR 13 1HG THR 13 2.449 0.076 2.192 102 1HG2 THR 13 1HG2 THR 13 0.288 0.573 -0.041 103 2HG2 THR 13 2HG2 THR 13 -0.253 2.067 0.726 104 3HG2 THR 13 3HG2 THR 13 -1.202 0.584 0.906 105 H TRP 14 H TRP 14 -1.569 -0.274 3.757 106 HA TRP 14 HA TRP 14 -3.906 0.851 2.642 107 1HB TRP 14 2HB TRP 14 -3.391 -1.563 3.310 108 2HB TRP 14 1HB TRP 14 -3.805 -1.090 4.942 109 HD1 TRP 14 HD TRP 14 -6.246 -1.137 5.586 110 HE1 TRP 14 1HE TRP 14 -8.465 -1.502 4.335 111 HE3 TRP 14 3HE TRP 14 -4.607 -0.934 0.720 112 HZ2 TRP 14 2HZ TRP 14 -9.410 -1.691 1.654 113 HZ3 TRP 14 3HZ TRP 14 -6.181 -1.225 -1.112 114 HH2 TRP 14 HH TRP 14 -8.561 -1.607 -0.658 115 H GLU 15 H GLU 15 -2.702 0.728 5.969 116 HA GLU 15 HA GLU 15 -4.908 1.972 7.202 117 1HB GLU 15 2HB GLU 15 -2.003 1.771 8.030 118 2HB GLU 15 1HB GLU 15 -3.311 2.308 9.088 119 1HG GLU 15 2HG GLU 15 -4.428 0.173 8.934 120 2HG GLU 15 1HG GLU 15 -3.357 -0.371 7.646 121 H ILE 16 H ILE 16 -1.909 3.280 5.833 122 HA ILE 16 HA ILE 16 -2.354 6.020 6.583 123 HB ILE 16 HB ILE 16 -0.742 4.776 4.298 124 1HG1 ILE 16 2HG1 ILE 16 0.286 5.947 6.879 125 2HG1 ILE 16 1HG1 ILE 16 -0.080 4.249 6.724 126 1HG2 ILE 16 1HG2 ILE 16 -0.926 7.610 5.319 127 2HG2 ILE 16 2HG2 ILE 16 -1.071 7.035 3.662 128 3HG2 ILE 16 3HG2 ILE 16 0.498 7.025 4.464 129 1HD1 ILE 16 1HD1 ILE 16 1.608 5.342 4.547 130 2HD1 ILE 16 2HD1 ILE 16 1.781 3.845 5.472 131 3HD1 ILE 16 3HD1 ILE 16 2.363 5.363 6.149 132 H PHE 17 H PHE 17 -3.131 3.968 3.853 133 HA PHE 17 HA PHE 17 -4.276 5.855 2.071 134 1HB PHE 17 2HB PHE 17 -3.578 3.270 1.922 135 2HB PHE 17 1HB PHE 17 -5.277 3.054 2.226 136 HD1 PHE 17 1HD PHE 17 -6.947 3.816 0.585 137 HD2 PHE 17 2HD PHE 17 -2.737 4.226 -0.132 138 HE1 PHE 17 1HE PHE 17 -7.395 4.100 -1.825 139 HE2 PHE 17 2HE PHE 17 -3.169 4.527 -2.541 140 HZ PHE 17 HZ PHE 17 -5.496 4.453 -3.389 141 H ASN 18 H ASN 18 -5.482 4.008 4.805 142 HA ASN 18 HA ASN 18 -8.271 4.711 4.387 143 1HB ASN 18 2HB ASN 18 -6.744 2.892 6.144 144 2HB ASN 18 1HB ASN 18 -8.155 3.619 6.898 145 1HD2 ASN 18 1HD2 ASN 18 -7.346 0.849 5.430 146 2HD2 ASN 18 2HD2 ASN 18 -8.785 0.495 4.603 147 H LEU 19 H LEU 19 -5.697 6.468 5.646 148 HA LEU 19 HA LEU 19 -6.951 7.442 7.990 149 1HB LEU 19 2HB LEU 19 -4.558 8.191 6.448 150 2HB LEU 19 1HB LEU 19 -5.253 9.455 7.451 151 HG LEU 19 HG LEU 19 -4.441 6.682 8.404 152 1HD1 LEU 19 1HD1 LEU 19 -3.152 8.807 9.743 153 2HD1 LEU 19 2HD1 LEU 19 -3.018 9.119 8.029 154 3HD1 LEU 19 3HD1 LEU 19 -2.430 7.596 8.696 155 1HD2 LEU 19 1HD2 LEU 19 -4.783 8.617 10.505 156 2HD2 LEU 19 2HD2 LEU 19 -5.632 7.083 10.271 157 3HD2 LEU 19 3HD2 LEU 19 -6.264 8.558 9.552 158 HA PRO 20 HA PRO 20 -9.805 10.105 5.885 159 1HB PRO 20 2HB PRO 20 -10.640 11.213 8.422 160 2HB PRO 20 1HB PRO 20 -11.453 9.988 7.435 161 1HG PRO 20 2HG PRO 20 -10.357 9.514 9.879 162 2HG PRO 20 1HG PRO 20 -10.552 8.275 8.624 163 1HD PRO 20 2HD PRO 20 -8.104 9.864 9.333 164 2HD PRO 20 1HD PRO 20 -8.253 8.134 8.987 165 H ASN 21 H ASN 21 -6.905 11.339 6.834 166 HA ASN 21 HA ASN 21 -7.908 14.089 6.296 167 1HB ASN 21 2HB ASN 21 -6.181 13.427 8.673 168 2HB ASN 21 1HB ASN 21 -6.579 15.047 8.134 169 1HD2 ASN 21 1HD2 ASN 21 -7.657 12.440 10.089 170 2HD2 ASN 21 2HD2 ASN 21 -9.212 13.034 10.410 171 H LEU 22 H LEU 22 -5.635 11.771 5.567 172 HA LEU 22 HA LEU 22 -3.420 13.568 5.070 173 1HB LEU 22 2HB LEU 22 -3.886 10.737 4.131 174 2HB LEU 22 1HB LEU 22 -2.371 11.632 3.994 175 HG LEU 22 HG LEU 22 -3.791 10.961 6.591 176 1HD1 LEU 22 1HD1 LEU 22 -2.837 8.965 5.999 177 2HD1 LEU 22 2HD1 LEU 22 -1.458 9.729 6.786 178 3HD1 LEU 22 3HD1 LEU 22 -1.577 9.717 5.029 179 1HD2 LEU 22 1HD2 LEU 22 -1.400 12.623 5.885 180 2HD2 LEU 22 2HD2 LEU 22 -1.349 11.669 7.363 181 3HD2 LEU 22 3HD2 LEU 22 -2.610 12.885 7.150 182 H ASN 23 H ASN 23 -2.592 14.196 3.057 183 HA ASN 23 HA ASN 23 -4.669 14.472 1.004 184 1HB ASN 23 2HB ASN 23 -3.702 16.446 0.459 185 2HB ASN 23 1HB ASN 23 -2.918 16.308 2.026 186 1HD2 ASN 23 1HD2 ASN 23 -2.388 16.417 -1.379 187 2HD2 ASN 23 2HD2 ASN 23 -0.715 16.154 -1.342 188 H GLY 24 H GLY 24 -4.094 14.052 -1.247 189 1HA GLY 24 2HA GLY 24 -3.313 11.494 -1.771 190 2HA GLY 24 1HA GLY 24 -3.184 12.789 -2.952 191 H VAL 25 H VAL 25 -1.160 14.340 -1.782 192 HA VAL 25 HA VAL 25 1.149 12.915 -2.628 193 HB VAL 25 HB VAL 25 0.911 15.548 -1.174 194 1HG1 VAL 25 1HG1 VAL 25 3.148 14.852 -0.822 195 2HG1 VAL 25 2HG1 VAL 25 3.244 15.825 -2.289 196 3HG1 VAL 25 3HG1 VAL 25 3.238 14.063 -2.398 197 1HG2 VAL 25 1HG2 VAL 25 1.108 14.701 -4.076 198 2HG2 VAL 25 2HG2 VAL 25 1.449 16.354 -3.552 199 3HG2 VAL 25 3HG2 VAL 25 -0.161 15.669 -3.322 200 H GLN 26 H GLN 26 0.006 13.869 0.653 201 HA GLN 26 HA GLN 26 2.278 12.886 1.985 202 1HB GLN 26 2HB GLN 26 -0.432 13.729 2.736 203 2HB GLN 26 1HB GLN 26 0.293 12.543 3.821 204 1HG GLN 26 2HG GLN 26 1.994 13.958 4.482 205 2HG GLN 26 1HG GLN 26 2.039 14.800 2.929 206 1HE2 GLN 26 1HE2 GLN 26 -0.179 14.337 5.688 207 2HE2 GLN 26 2HE2 GLN 26 -0.760 15.929 5.685 208 H VAL 27 H VAL 27 -0.765 11.311 1.075 209 HA VAL 27 HA VAL 27 -0.190 8.810 2.301 210 HB VAL 27 HB VAL 27 -1.895 9.393 -0.143 211 1HG1 VAL 27 1HG1 VAL 27 -1.531 6.962 1.619 212 2HG1 VAL 27 2HG1 VAL 27 -1.473 7.054 -0.143 213 3HG1 VAL 27 3HG1 VAL 27 -3.015 7.215 0.698 214 1HG2 VAL 27 1HG2 VAL 27 -3.768 9.360 1.462 215 2HG2 VAL 27 2HG2 VAL 27 -2.606 10.605 1.913 216 3HG2 VAL 27 3HG2 VAL 27 -2.642 9.078 2.790 217 H LYS 28 H LYS 28 0.393 10.118 -0.933 218 HA LYS 28 HA LYS 28 1.633 7.834 -2.059 219 1HB LYS 28 2HB LYS 28 1.786 10.795 -2.707 220 2HB LYS 28 1HB LYS 28 2.700 9.588 -3.611 221 1HG LYS 28 2HG LYS 28 0.769 8.576 -4.479 222 2HG LYS 28 1HG LYS 28 -0.267 9.241 -3.219 223 1HD LYS 28 2HD LYS 28 -0.698 10.456 -5.278 224 2HD LYS 28 1HD LYS 28 0.144 11.535 -4.173 225 1HE LYS 28 2HE LYS 28 1.681 9.899 -6.187 226 2HE LYS 28 1HE LYS 28 0.946 11.430 -6.645 227 1HZ LYS 28 1HZ LYS 28 2.902 12.232 -5.915 228 2HZ LYS 28 2HZ LYS 28 3.207 10.907 -4.897 229 3HZ LYS 28 3HZ LYS 28 2.152 12.141 -4.396 230 H ALA 29 H ALA 29 2.823 10.485 -0.104 231 HA ALA 29 HA ALA 29 5.591 9.988 -0.416 232 1HB ALA 29 1HB ALA 29 4.248 11.318 1.917 233 2HB ALA 29 2HB ALA 29 4.543 12.138 0.383 234 3HB ALA 29 3HB ALA 29 5.898 11.553 1.346 235 H PHE 30 H PHE 30 3.188 9.107 2.007 236 HA PHE 30 HA PHE 30 4.965 7.792 3.714 237 1HB PHE 30 2HB PHE 30 2.008 7.420 3.294 238 2HB PHE 30 1HB PHE 30 2.934 6.727 4.621 239 HD1 PHE 30 1HD PHE 30 4.755 8.870 5.452 240 HD2 PHE 30 2HD PHE 30 0.624 9.131 4.212 241 HE1 PHE 30 1HE PHE 30 4.484 10.962 6.722 242 HE2 PHE 30 2HE PHE 30 0.387 11.210 5.505 243 HZ PHE 30 HZ PHE 30 2.308 12.116 6.749 244 H ILE 31 H ILE 31 3.071 6.895 0.899 245 HA ILE 31 HA ILE 31 3.680 4.132 0.948 246 HB ILE 31 HB ILE 31 2.699 6.014 -1.176 247 1HG1 ILE 31 2HG1 ILE 31 1.557 3.452 -0.004 248 2HG1 ILE 31 1HG1 ILE 31 1.167 5.067 0.573 249 1HG2 ILE 31 1HG2 ILE 31 2.481 3.723 -2.529 250 2HG2 ILE 31 2HG2 ILE 31 3.899 3.284 -1.585 251 3HG2 ILE 31 3HG2 ILE 31 3.946 4.695 -2.637 252 1HD1 ILE 31 1HD1 ILE 31 0.683 4.059 -2.243 253 2HD1 ILE 31 2HD1 ILE 31 0.243 5.650 -1.622 254 3HD1 ILE 31 3HD1 ILE 31 -0.550 4.205 -0.990 255 H ASP 32 H ASP 32 5.149 6.915 -0.647 256 HA ASP 32 HA ASP 32 7.177 5.479 -1.954 257 1HB ASP 32 2HB ASP 32 6.871 8.352 -1.105 258 2HB ASP 32 1HB ASP 32 8.397 7.798 -1.796 259 H SER 33 H SER 33 7.055 6.923 1.215 260 HA SER 33 HA SER 33 9.749 6.414 1.970 261 1HB SER 33 2HB SER 33 7.251 6.729 3.663 262 2HB SER 33 1HB SER 33 8.910 6.768 4.266 263 HG SER 33 HG SER 33 7.754 8.511 2.342 264 H LEU 34 H LEU 34 6.747 4.665 2.126 265 HA LEU 34 HA LEU 34 7.482 2.348 3.626 266 1HB LEU 34 2HB LEU 34 5.338 3.293 1.834 267 2HB LEU 34 1HB LEU 34 5.602 1.580 1.786 268 HG LEU 34 HG LEU 34 5.567 2.593 4.494 269 1HD1 LEU 34 1HD1 LEU 34 2.905 2.653 4.210 270 2HD1 LEU 34 2HD1 LEU 34 3.354 3.281 2.633 271 3HD1 LEU 34 3HD1 LEU 34 3.882 4.111 4.094 272 1HD2 LEU 34 1HD2 LEU 34 3.753 0.756 4.530 273 2HD2 LEU 34 2HD2 LEU 34 5.409 0.302 4.167 274 3HD2 LEU 34 3HD2 LEU 34 4.252 0.456 2.864 275 H ARG 35 H ARG 35 7.295 3.011 0.182 276 HA ARG 35 HA ARG 35 8.342 0.614 -0.843 277 1HB ARG 35 2HB ARG 35 8.460 3.435 -1.929 278 2HB ARG 35 1HB ARG 35 8.841 1.991 -2.864 279 1HG ARG 35 2HG ARG 35 6.587 1.158 -2.590 280 2HG ARG 35 1HG ARG 35 6.206 2.452 -1.489 281 1HD ARG 35 2HD ARG 35 5.268 3.058 -3.605 282 2HD ARG 35 1HD ARG 35 6.660 4.094 -3.322 283 HE ARG 35 HE ARG 35 7.632 3.152 -5.167 284 1HH1 ARG 35 1HH2 ARG 35 5.348 0.937 -3.828 285 2HH1 ARG 35 2HH2 ARG 35 5.455 -0.179 -5.156 286 1HH2 ARG 35 1HH1 ARG 35 7.674 1.788 -6.959 287 2HH2 ARG 35 2HH1 ARG 35 6.789 0.301 -6.922 288 H ASP 36 H ASP 36 9.917 3.665 0.011 289 HA ASP 36 HA ASP 36 12.553 2.941 -0.738 290 1HB ASP 36 2HB ASP 36 11.723 5.274 -0.449 291 2HB ASP 36 1HB ASP 36 11.699 4.979 1.278 292 H ASP 37 H ASP 37 10.734 2.804 2.247 293 HA ASP 37 HA ASP 37 12.644 0.893 3.354 294 1HB ASP 37 2HB ASP 37 13.230 3.264 4.134 295 2HB ASP 37 1HB ASP 37 11.710 3.233 5.021 296 HA PRO 38 HA PRO 38 8.414 -0.506 3.991 297 1HB PRO 38 2HB PRO 38 9.445 -3.174 4.062 298 2HB PRO 38 1HB PRO 38 8.461 -2.405 2.830 299 1HG PRO 38 2HG PRO 38 11.108 -3.173 2.569 300 2HG PRO 38 1HG PRO 38 10.213 -2.100 1.484 301 1HD PRO 38 2HD PRO 38 12.238 -1.426 3.529 302 2HD PRO 38 1HD PRO 38 11.722 -0.510 2.094 303 H SER 39 H SER 39 11.325 -1.384 5.731 304 HA SER 39 HA SER 39 10.095 -2.624 7.968 305 1HB SER 39 2HB SER 39 12.677 -1.030 7.956 306 2HB SER 39 1HB SER 39 12.203 -2.276 9.107 307 HG SER 39 HG SER 39 12.827 -2.540 6.356 308 H GLN 40 H GLN 40 10.658 0.626 6.939 309 HA GLN 40 HA GLN 40 9.938 1.894 9.427 310 1HB GLN 40 2HB GLN 40 11.595 2.752 7.671 311 2HB GLN 40 1HB GLN 40 10.185 3.184 6.710 312 1HG GLN 40 2HG GLN 40 9.377 4.636 8.518 313 2HG GLN 40 1HG GLN 40 10.746 4.175 9.522 314 1HE2 GLN 40 1HE2 GLN 40 12.210 4.251 6.614 315 2HE2 GLN 40 2HE2 GLN 40 12.629 5.892 6.518 316 H SER 41 H SER 41 8.127 0.354 7.091 317 HA SER 41 HA SER 41 6.083 2.001 6.314 318 1HB SER 41 2HB SER 41 4.704 -0.012 6.199 319 2HB SER 41 1HB SER 41 6.345 -0.390 5.698 320 HG SER 41 HG SER 41 6.655 -1.501 7.509 321 H ALA 42 H ALA 42 6.452 0.446 9.473 322 HA ALA 42 HA ALA 42 3.908 1.092 10.552 323 1HB ALA 42 1HB ALA 42 5.520 -0.583 11.484 324 2HB ALA 42 2HB ALA 42 4.944 0.577 12.684 325 3HB ALA 42 3HB ALA 42 6.551 0.764 11.976 326 H ASN 43 H ASN 43 7.011 2.661 10.430 327 HA ASN 43 HA ASN 43 6.483 4.801 12.177 328 1HB ASN 43 2HB ASN 43 8.550 3.932 10.276 329 2HB ASN 43 1HB ASN 43 8.473 5.675 10.546 330 1HD2 ASN 43 1HD2 ASN 43 10.230 6.013 11.964 331 2HD2 ASN 43 2HD2 ASN 43 10.430 5.199 13.439 332 H LEU 44 H LEU 44 6.112 4.285 8.775 333 HA LEU 44 HA LEU 44 5.555 6.991 8.021 334 1HB LEU 44 2HB LEU 44 5.042 4.358 6.602 335 2HB LEU 44 1HB LEU 44 5.127 5.965 5.851 336 HG LEU 44 HG LEU 44 7.361 4.873 7.547 337 1HD1 LEU 44 1HD1 LEU 44 8.442 4.662 5.166 338 2HD1 LEU 44 2HD1 LEU 44 6.767 4.335 4.718 339 3HD1 LEU 44 3HD1 LEU 44 7.571 3.342 5.937 340 1HD2 LEU 44 1HD2 LEU 44 7.403 7.190 7.389 341 2HD2 LEU 44 2HD2 LEU 44 7.042 7.155 5.665 342 3HD2 LEU 44 3HD2 LEU 44 8.612 6.600 6.250 343 H LEU 45 H LEU 45 3.884 4.176 8.904 344 HA LEU 45 HA LEU 45 1.214 5.088 8.444 345 1HB LEU 45 2HB LEU 45 1.484 2.742 8.690 346 2HB LEU 45 1HB LEU 45 2.446 2.921 10.150 347 HG LEU 45 HG LEU 45 0.474 3.734 11.372 348 1HD1 LEU 45 1HD1 LEU 45 -0.822 4.874 9.762 349 2HD1 LEU 45 2HD1 LEU 45 -1.775 3.439 10.127 350 3HD1 LEU 45 3HD1 LEU 45 -0.814 3.504 8.652 351 1HD2 LEU 45 1HD2 LEU 45 0.020 1.168 9.821 352 2HD2 LEU 45 2HD2 LEU 45 -0.833 1.617 11.299 353 3HD2 LEU 45 3HD2 LEU 45 0.908 1.340 11.335 354 H ALA 46 H ALA 46 3.554 5.200 11.006 355 HA ALA 46 HA ALA 46 1.982 6.370 13.028 356 1HB ALA 46 1HB ALA 46 4.906 6.939 12.737 357 2HB ALA 46 2HB ALA 46 4.382 5.294 13.106 358 3HB ALA 46 3HB ALA 46 3.985 6.612 14.208 359 H GLU 47 H GLU 47 4.163 7.626 10.616 360 HA GLU 47 HA GLU 47 4.016 10.350 11.216 361 1HB GLU 47 2HB GLU 47 4.674 8.711 8.805 362 2HB GLU 47 1HB GLU 47 4.606 10.468 8.682 363 1HG GLU 47 2HG GLU 47 6.453 8.772 10.353 364 2HG GLU 47 1HG GLU 47 6.870 9.896 9.068 365 H ALA 48 H ALA 48 2.155 8.192 9.198 366 HA ALA 48 HA ALA 48 0.567 10.163 7.957 367 1HB ALA 48 1HB ALA 48 -0.903 8.078 7.605 368 2HB ALA 48 2HB ALA 48 0.399 7.208 8.407 369 3HB ALA 48 3HB ALA 48 0.708 8.080 6.905 370 H LYS 49 H LYS 49 0.165 8.056 10.774 371 HA LYS 49 HA LYS 49 -2.426 8.891 11.526 372 1HB LYS 49 2HB LYS 49 -0.109 7.908 13.217 373 2HB LYS 49 1HB LYS 49 -1.755 8.114 13.809 374 1HG LYS 49 2HG LYS 49 -1.496 6.518 11.319 375 2HG LYS 49 1HG LYS 49 -0.804 5.779 12.761 376 1HD LYS 49 2HD LYS 49 -2.913 5.919 13.930 377 2HD LYS 49 1HD LYS 49 -3.618 6.904 12.647 378 1HE LYS 49 2HE LYS 49 -4.391 4.605 12.395 379 2HE LYS 49 1HE LYS 49 -3.303 4.995 11.064 380 1HZ LYS 49 1HZ LYS 49 -2.793 2.834 12.021 381 2HZ LYS 49 2HZ LYS 49 -2.549 3.543 13.546 382 3HZ LYS 49 3HZ LYS 49 -1.506 3.912 12.258 383 H LYS 50 H LYS 50 0.785 10.217 11.947 384 HA LYS 50 HA LYS 50 0.015 12.236 13.798 385 1HB LYS 50 2HB LYS 50 2.484 11.689 12.173 386 2HB LYS 50 1HB LYS 50 2.316 13.178 13.104 387 1HG LYS 50 2HG LYS 50 2.222 12.015 15.165 388 2HG LYS 50 1HG LYS 50 1.858 10.480 14.383 389 1HD LYS 50 2HD LYS 50 4.208 10.552 15.160 390 2HD LYS 50 1HD LYS 50 4.122 10.424 13.405 391 1HE LYS 50 2HE LYS 50 4.627 12.754 13.121 392 2HE LYS 50 1HE LYS 50 4.411 13.076 14.842 393 1HZ LYS 50 1HZ LYS 50 6.287 11.495 15.227 394 2HZ LYS 50 2HZ LYS 50 6.723 12.933 14.434 395 3HZ LYS 50 3HZ LYS 50 6.558 11.489 13.553 396 H LEU 51 H LEU 51 0.558 12.075 10.350 397 HA LEU 51 HA LEU 51 0.141 14.840 9.886 398 1HB LEU 51 2HB LEU 51 0.447 12.416 8.199 399 2HB LEU 51 1HB LEU 51 -0.425 13.766 7.483 400 HG LEU 51 HG LEU 51 1.890 14.003 6.914 401 1HD1 LEU 51 1HD1 LEU 51 0.443 16.002 7.933 402 2HD1 LEU 51 2HD1 LEU 51 2.111 16.227 7.409 403 3HD1 LEU 51 3HD1 LEU 51 1.749 15.998 9.118 404 1HD2 LEU 51 1HD2 LEU 51 2.318 13.470 9.842 405 2HD2 LEU 51 2HD2 LEU 51 3.513 14.403 8.941 406 3HD2 LEU 51 3HD2 LEU 51 3.133 12.757 8.451 407 H ASN 52 H ASN 52 -1.850 11.980 9.789 408 HA ASN 52 HA ASN 52 -4.203 13.124 8.779 409 1HB ASN 52 2HB ASN 52 -3.848 10.727 8.876 410 2HB ASN 52 1HB ASN 52 -3.784 10.772 10.634 411 1HD2 ASN 52 1HD2 ASN 52 -5.801 11.007 11.788 412 2HD2 ASN 52 2HD2 ASN 52 -7.300 10.912 10.999 413 H ASP 53 H ASP 53 -2.992 12.534 12.053 414 HA ASP 53 HA ASP 53 -5.210 13.595 13.411 415 1HB ASP 53 2HB ASP 53 -2.340 13.211 14.243 416 2HB ASP 53 1HB ASP 53 -3.573 13.826 15.341 417 H ALA 54 H ALA 54 -2.205 14.996 12.257 418 HA ALA 54 HA ALA 54 -2.519 17.563 13.380 419 1HB ALA 54 1HB ALA 54 -1.006 16.575 10.959 420 2HB ALA 54 2HB ALA 54 -0.359 16.888 12.569 421 3HB ALA 54 3HB ALA 54 -0.900 18.231 11.560 422 H GLN 55 H GLN 55 -3.545 16.061 10.356 423 HA GLN 55 HA GLN 55 -4.742 18.515 9.341 424 1HB GLN 55 2HB GLN 55 -4.526 15.680 8.338 425 2HB GLN 55 1HB GLN 55 -5.477 16.911 7.494 426 1HG GLN 55 2HG GLN 55 -3.545 18.291 7.144 427 2HG GLN 55 1HG GLN 55 -2.570 17.320 8.245 428 1HE2 GLN 55 1HE2 GLN 55 -2.468 14.882 7.536 429 2HE2 GLN 55 2HE2 GLN 55 -2.230 14.612 5.879 430 H ALA 56 H ALA 56 -5.657 16.279 11.612 431 HA ALA 56 HA ALA 56 -8.421 15.916 10.889 432 1HB ALA 56 1HB ALA 56 -8.674 14.889 13.060 433 2HB ALA 56 2HB ALA 56 -7.153 15.584 13.618 434 3HB ALA 56 3HB ALA 56 -7.148 14.338 12.372 435 HA PRO 57 HA PRO 57 -10.357 19.708 11.931 436 1HB PRO 57 2HB PRO 57 -12.377 18.482 13.551 437 2HB PRO 57 1HB PRO 57 -12.479 18.967 11.856 438 1HG PRO 57 2HG PRO 57 -11.903 16.348 13.023 439 2HG PRO 57 1HG PRO 57 -12.732 16.761 11.515 440 1HD PRO 57 2HD PRO 57 -10.279 15.762 11.464 441 2HD PRO 57 1HD PRO 57 -10.723 17.097 10.370 442 H LYS 58 H LYS 58 -8.813 20.547 13.213 443 HA LYS 58 HA LYS 58 -9.210 20.400 16.128 444 1HB LYS 58 2HB LYS 58 -6.653 20.198 14.609 445 2HB LYS 58 1HB LYS 58 -6.675 20.711 16.288 446 1HG LYS 58 2HG LYS 58 -7.386 18.629 17.054 447 2HG LYS 58 1HG LYS 58 -8.150 18.208 15.525 448 1HD LYS 58 2HD LYS 58 -6.198 16.843 15.669 449 2HD LYS 58 1HD LYS 58 -5.808 18.119 14.518 450 1HE LYS 58 2HE LYS 58 -4.663 19.382 16.318 451 2HE LYS 58 1HE LYS 58 -5.029 18.080 17.451 452 1HZ LYS 58 1HZ LYS 58 -2.864 18.259 15.728 453 2HZ LYS 58 2HZ LYS 58 -3.849 17.018 15.115 454 3HZ LYS 58 3HZ LYS 58 -3.288 16.949 16.719 455 1H VAL 1 1HT VAL 1 -12.314 -6.271 6.966 456 2H VAL 1 2HT VAL 1 -13.190 -7.710 7.189 457 3H VAL 1 3HT VAL 1 -12.962 -6.641 8.489 458 HA VAL 1 HA VAL 1 -15.165 -6.307 7.771 459 HB VAL 1 HB VAL 1 -13.430 -4.161 6.490 460 1HG1 VAL 1 1HG1 VAL 1 -15.777 -3.877 5.927 461 2HG1 VAL 1 2HG1 VAL 1 -15.360 -2.690 7.162 462 3HG1 VAL 1 3HG1 VAL 1 -16.256 -4.142 7.603 463 1HG2 VAL 1 1HG2 VAL 1 -13.657 -3.061 8.759 464 2HG2 VAL 1 2HG2 VAL 1 -12.659 -4.513 8.761 465 3HG2 VAL 1 3HG2 VAL 1 -14.314 -4.581 9.367 466 H ASP 2 H ASP 2 -12.880 -6.026 5.062 467 HA ASP 2 HA ASP 2 -14.944 -6.238 3.051 468 1HB ASP 2 2HB ASP 2 -13.085 -6.174 1.465 469 2HB ASP 2 1HB ASP 2 -12.884 -4.920 2.682 470 H ASN 3 H ASN 3 -13.579 -7.962 1.221 471 HA ASN 3 HA ASN 3 -14.712 -10.442 1.813 472 1HB ASN 3 2HB ASN 3 -12.377 -9.929 -0.045 473 2HB ASN 3 1HB ASN 3 -13.501 -11.283 -0.114 474 1HD2 ASN 3 1HD2 ASN 3 -15.981 -9.990 0.198 475 2HD2 ASN 3 2HD2 ASN 3 -16.223 -8.917 -1.094 476 H LYS 4 H LYS 4 -13.428 -12.545 1.871 477 HA LYS 4 HA LYS 4 -11.935 -12.721 4.233 478 1HB LYS 4 2HB LYS 4 -11.482 -15.021 3.613 479 2HB LYS 4 1HB LYS 4 -13.139 -14.622 3.172 480 1HG LYS 4 2HG LYS 4 -12.348 -14.141 0.842 481 2HG LYS 4 1HG LYS 4 -10.744 -14.704 1.313 482 1HD LYS 4 2HD LYS 4 -11.800 -16.584 0.309 483 2HD LYS 4 1HD LYS 4 -11.881 -16.876 2.047 484 1HE LYS 4 2HE LYS 4 -14.168 -16.290 2.160 485 2HE LYS 4 1HE LYS 4 -14.126 -15.476 0.595 486 1HZ LYS 4 1HZ LYS 4 -13.802 -17.594 -0.485 487 2HZ LYS 4 2HZ LYS 4 -15.200 -17.656 0.479 488 3HZ LYS 4 3HZ LYS 4 -13.765 -18.396 1.009 489 H PHE 5 H PHE 5 -11.041 -11.812 1.091 490 HA PHE 5 HA PHE 5 -8.252 -12.386 1.221 491 1HB PHE 5 2HB PHE 5 -9.998 -10.718 -0.581 492 2HB PHE 5 1HB PHE 5 -8.240 -10.683 -0.731 493 HD1 PHE 5 1HD PHE 5 -11.011 -13.158 -0.307 494 HD2 PHE 5 2HD PHE 5 -7.246 -12.236 -2.158 495 HE1 PHE 5 1HE PHE 5 -11.079 -15.318 -1.535 496 HE2 PHE 5 2HE PHE 5 -7.311 -14.390 -3.378 497 HZ PHE 5 HZ PHE 5 -9.221 -15.933 -3.061 498 H ASN 6 H ASN 6 -9.769 -10.518 3.301 499 HA ASN 6 HA ASN 6 -8.520 -7.961 3.115 500 1HB ASN 6 2HB ASN 6 -9.100 -7.699 5.466 501 2HB ASN 6 1HB ASN 6 -10.446 -8.455 4.625 502 1HD2 ASN 6 1HD2 ASN 6 -9.042 -11.148 4.568 503 2HD2 ASN 6 2HD2 ASN 6 -9.163 -11.726 6.159 504 H LYS 7 H LYS 7 -7.561 -11.047 4.380 505 HA LYS 7 HA LYS 7 -5.098 -10.181 5.564 506 1HB LYS 7 2HB LYS 7 -4.714 -12.562 5.866 507 2HB LYS 7 1HB LYS 7 -6.399 -12.205 6.244 508 1HG LYS 7 2HG LYS 7 -6.973 -12.886 3.868 509 2HG LYS 7 1HG LYS 7 -5.315 -13.469 3.717 510 1HD LYS 7 2HD LYS 7 -5.694 -14.928 5.718 511 2HD LYS 7 1HD LYS 7 -7.384 -14.420 5.720 512 1HE LYS 7 2HE LYS 7 -7.466 -16.417 4.494 513 2HE LYS 7 1HE LYS 7 -7.363 -15.203 3.220 514 1HZ LYS 7 1HZ LYS 7 -5.804 -17.069 2.925 515 2HZ LYS 7 2HZ LYS 7 -5.030 -16.634 4.373 516 3HZ LYS 7 3HZ LYS 7 -5.017 -15.571 3.047 517 H GLU 8 H GLU 8 -6.144 -11.649 2.555 518 HA GLU 8 HA GLU 8 -3.585 -11.982 1.349 519 1HB GLU 8 2HB GLU 8 -6.397 -11.828 0.197 520 2HB GLU 8 1HB GLU 8 -4.970 -12.290 -0.733 521 1HG GLU 8 2HG GLU 8 -6.060 -13.723 1.714 522 2HG GLU 8 1HG GLU 8 -6.152 -14.297 0.047 523 H ARG 9 H ARG 9 -5.966 -9.426 1.428 524 HA ARG 9 HA ARG 9 -5.072 -7.847 -0.715 525 1HB ARG 9 2HB ARG 9 -7.244 -7.643 0.608 526 2HB ARG 9 1HB ARG 9 -6.307 -6.804 1.842 527 1HG ARG 9 2HG ARG 9 -5.494 -5.384 -0.274 528 2HG ARG 9 1HG ARG 9 -7.035 -5.940 -0.922 529 1HD ARG 9 2HD ARG 9 -6.545 -4.267 1.539 530 2HD ARG 9 1HD ARG 9 -7.533 -3.889 0.135 531 HE ARG 9 HE ARG 9 -8.429 -6.213 1.583 532 1HH1 ARG 9 1HH1 ARG 9 -8.468 -4.199 3.712 533 2HH1 ARG 9 2HH1 ARG 9 -9.995 -3.411 3.498 534 1HH2 ARG 9 1HH2 ARG 9 -10.433 -4.569 0.265 535 2HH2 ARG 9 2HH2 ARG 9 -11.108 -3.622 1.547 536 H VAL 10 H VAL 10 -4.278 -7.900 2.726 537 HA VAL 10 HA VAL 10 -2.628 -5.646 2.881 538 HB VAL 10 HB VAL 10 -2.228 -8.191 4.430 539 1HG1 VAL 10 1HG1 VAL 10 -0.512 -6.824 5.043 540 2HG1 VAL 10 2HG1 VAL 10 -1.737 -6.328 6.213 541 3HG1 VAL 10 3HG1 VAL 10 -1.431 -5.347 4.778 542 1HG2 VAL 10 1HG2 VAL 10 -4.283 -7.986 5.311 543 2HG2 VAL 10 2HG2 VAL 10 -4.607 -6.574 4.311 544 3HG2 VAL 10 3HG2 VAL 10 -3.860 -6.382 5.906 545 H ILE 11 H ILE 11 -1.952 -8.967 1.944 546 HA ILE 11 HA ILE 11 0.880 -8.663 1.771 547 HB ILE 11 HB ILE 11 -0.841 -10.706 0.348 548 1HG1 ILE 11 2HG1 ILE 11 -0.228 -10.264 3.222 549 2HG1 ILE 11 1HG1 ILE 11 -1.528 -11.187 2.480 550 1HG2 ILE 11 1HG2 ILE 11 1.191 -12.060 0.417 551 2HG2 ILE 11 2HG2 ILE 11 2.024 -10.829 1.366 552 3HG2 ILE 11 3HG2 ILE 11 1.584 -10.504 -0.311 553 1HD1 ILE 11 1HD1 ILE 11 -0.238 -12.824 3.578 554 2HD1 ILE 11 2HD1 ILE 11 1.285 -12.073 3.103 555 3HD1 ILE 11 3HD1 ILE 11 0.311 -12.932 1.905 556 H ALA 12 H ALA 12 -1.797 -8.308 -0.573 557 HA ALA 12 HA ALA 12 -0.158 -7.954 -2.888 558 1HB ALA 12 1HB ALA 12 -2.960 -7.101 -2.159 559 2HB ALA 12 2HB ALA 12 -2.484 -8.414 -3.229 560 3HB ALA 12 3HB ALA 12 -2.232 -6.738 -3.722 561 H ILE 13 H ILE 13 -1.694 -5.728 -0.610 562 HA ILE 13 HA ILE 13 -0.728 -3.333 -1.726 563 HB ILE 13 HB ILE 13 -1.219 -4.002 1.205 564 1HG1 ILE 13 2HG1 ILE 13 -3.114 -2.635 -0.666 565 2HG1 ILE 13 1HG1 ILE 13 -3.080 -4.391 -0.570 566 1HG2 ILE 13 1HG2 ILE 13 -0.079 -1.861 0.968 567 2HG2 ILE 13 2HG2 ILE 13 -1.782 -1.570 1.332 568 3HG2 ILE 13 3HG2 ILE 13 -1.178 -1.382 -0.317 569 1HD1 ILE 13 1HD1 ILE 13 -3.551 -2.477 1.698 570 2HD1 ILE 13 2HD1 ILE 13 -3.454 -4.224 1.872 571 3HD1 ILE 13 3HD1 ILE 13 -4.771 -3.503 0.947 572 H GLY 14 H GLY 14 0.633 -5.755 0.369 573 1HA GLY 14 2HA GLY 14 3.038 -4.371 1.039 574 2HA GLY 14 1HA GLY 14 2.737 -6.096 1.193 575 H GLU 15 H GLU 15 2.182 -6.702 -1.520 576 HA GLU 15 HA GLU 15 4.854 -6.967 -2.454 577 1HB GLU 15 2HB GLU 15 2.625 -8.436 -2.786 578 2HB GLU 15 1HB GLU 15 2.605 -7.537 -4.294 579 1HG GLU 15 2HG GLU 15 3.858 -9.640 -4.551 580 2HG GLU 15 1HG GLU 15 4.909 -8.249 -4.779 581 H ILE 16 H ILE 16 2.086 -4.985 -3.409 582 HA ILE 16 HA ILE 16 3.156 -3.919 -5.794 583 HB ILE 16 HB ILE 16 1.572 -2.232 -3.870 584 1HG1 ILE 16 2HG1 ILE 16 0.893 -4.873 -4.743 585 2HG1 ILE 16 1HG1 ILE 16 -0.058 -3.762 -3.769 586 1HG2 ILE 16 1HG2 ILE 16 0.536 -1.401 -5.967 587 2HG2 ILE 16 2HG2 ILE 16 1.549 -2.498 -6.897 588 3HG2 ILE 16 3HG2 ILE 16 2.281 -1.189 -5.982 589 1HD1 ILE 16 1HD1 ILE 16 -0.879 -2.750 -5.826 590 2HD1 ILE 16 2HD1 ILE 16 -1.283 -4.463 -5.690 591 3HD1 ILE 16 3HD1 ILE 16 0.028 -3.945 -6.755 592 H MET 17 H MET 17 3.216 -2.672 -2.538 593 HA MET 17 HA MET 17 4.848 -0.416 -2.858 594 1HB MET 17 2HB MET 17 4.554 -2.228 -0.478 595 2HB MET 17 1HB MET 17 5.133 -0.554 -0.467 596 1HG MET 17 2HG MET 17 2.434 -1.312 -1.600 597 2HG MET 17 1HG MET 17 2.645 -0.871 0.091 598 1HE MET 17 1HE MET 17 3.287 2.329 0.530 599 2HE MET 17 2HE MET 17 4.819 1.988 -0.275 600 3HE MET 17 3HE MET 17 4.061 0.740 0.737 601 H ARG 18 H ARG 18 5.665 -3.827 -2.453 602 HA ARG 18 HA ARG 18 8.466 -3.463 -2.078 603 1HB ARG 18 2HB ARG 18 6.706 -5.746 -2.691 604 2HB ARG 18 1HB ARG 18 8.442 -5.925 -2.897 605 1HG ARG 18 2HG ARG 18 8.318 -4.660 -0.470 606 2HG ARG 18 1HG ARG 18 6.858 -5.635 -0.422 607 1HD ARG 18 2HD ARG 18 9.603 -6.647 -1.098 608 2HD ARG 18 1HD ARG 18 8.820 -6.834 0.465 609 HE ARG 18 HE ARG 18 7.120 -7.875 -1.543 610 1HH1 ARG 18 1HH2 ARG 18 8.024 -9.260 1.033 611 2HH1 ARG 18 2HH2 ARG 18 8.847 -10.644 0.400 612 1HH2 ARG 18 1HH1 ARG 18 9.096 -9.351 -2.803 613 2HH2 ARG 18 2HH1 ARG 18 9.454 -10.695 -1.772 614 H LEU 19 H LEU 19 6.415 -3.938 -4.952 615 HA LEU 19 HA LEU 19 8.385 -4.484 -6.861 616 1HB LEU 19 2HB LEU 19 5.910 -2.792 -7.180 617 2HB LEU 19 1HB LEU 19 6.889 -3.350 -8.496 618 HG LEU 19 HG LEU 19 5.541 -5.218 -6.538 619 1HD1 LEU 19 1HD1 LEU 19 4.644 -4.211 -9.252 620 2HD1 LEU 19 2HD1 LEU 19 3.863 -3.880 -7.702 621 3HD1 LEU 19 3HD1 LEU 19 3.863 -5.515 -8.347 622 1HD2 LEU 19 1HD2 LEU 19 5.766 -6.721 -8.652 623 2HD2 LEU 19 2HD2 LEU 19 7.220 -6.420 -7.686 624 3HD2 LEU 19 3HD2 LEU 19 6.952 -5.524 -9.176 625 HA PRO 20 HA PRO 20 10.590 -0.620 -6.277 626 1HB PRO 20 2HB PRO 20 12.700 -1.659 -7.939 627 2HB PRO 20 1HB PRO 20 12.676 -1.444 -6.187 628 1HG PRO 20 2HG PRO 20 12.734 -3.853 -7.481 629 2HG PRO 20 1HG PRO 20 12.171 -3.602 -5.820 630 1HD PRO 20 2HD PRO 20 10.579 -3.951 -8.319 631 2HD PRO 20 1HD PRO 20 10.238 -4.501 -6.663 632 H ASN 21 H ASN 21 9.184 -1.702 -9.172 633 HA ASN 21 HA ASN 21 10.329 0.571 -10.683 634 1HB ASN 21 2HB ASN 21 8.830 -1.807 -11.762 635 2HB ASN 21 1HB ASN 21 9.622 -0.556 -12.699 636 1HD2 ASN 21 1HD2 ASN 21 10.164 -3.574 -12.420 637 2HD2 ASN 21 2HD2 ASN 21 11.822 -3.654 -12.063 638 H LEU 22 H LEU 22 7.453 -0.408 -9.057 639 HA LEU 22 HA LEU 22 5.603 0.976 -10.757 640 1HB LEU 22 2HB LEU 22 5.317 0.183 -7.862 641 2HB LEU 22 1HB LEU 22 4.033 0.860 -8.835 642 HG LEU 22 HG LEU 22 5.426 -1.790 -9.172 643 1HD1 LEU 22 1HD1 LEU 22 3.597 -1.862 -7.611 644 2HD1 LEU 22 2HD1 LEU 22 2.997 -2.542 -9.124 645 3HD1 LEU 22 3HD1 LEU 22 2.576 -0.893 -8.670 646 1HD2 LEU 22 1HD2 LEU 22 3.615 -1.829 -11.107 647 2HD2 LEU 22 2HD2 LEU 22 5.241 -1.204 -11.389 648 3HD2 LEU 22 3HD2 LEU 22 3.893 -0.101 -11.078 649 H ASN 23 H ASN 23 4.386 2.789 -10.230 650 HA ASN 23 HA ASN 23 5.960 5.009 -9.189 651 1HB ASN 23 2HB ASN 23 4.806 5.148 -11.378 652 2HB ASN 23 1HB ASN 23 3.288 4.821 -10.607 653 1HD2 ASN 23 1HD2 ASN 23 5.084 7.246 -11.803 654 2HD2 ASN 23 2HD2 ASN 23 4.440 8.541 -10.915 655 H SER 24 H SER 24 4.986 6.470 -7.572 656 HA SER 24 HA SER 24 3.779 5.141 -5.380 657 1HB SER 24 2HB SER 24 3.595 7.319 -4.372 658 2HB SER 24 1HB SER 24 5.090 7.300 -5.296 659 HG SER 24 HG SER 24 2.598 8.325 -6.184 660 H LEU 25 H LEU 25 2.526 7.193 -7.935 661 HA LEU 25 HA LEU 25 -0.204 7.166 -7.157 662 1HB LEU 25 2HB LEU 25 1.384 8.210 -9.363 663 2HB LEU 25 1HB LEU 25 -0.154 7.589 -9.894 664 HG LEU 25 HG LEU 25 0.043 9.378 -7.529 665 1HD1 LEU 25 1HD1 LEU 25 -0.473 10.309 -10.358 666 2HD1 LEU 25 2HD1 LEU 25 1.111 10.433 -9.591 667 3HD1 LEU 25 3HD1 LEU 25 -0.266 11.308 -8.919 668 1HD2 LEU 25 1HD2 LEU 25 -2.267 9.489 -9.304 669 2HD2 LEU 25 2HD2 LEU 25 -2.202 9.217 -7.561 670 3HD2 LEU 25 3HD2 LEU 25 -1.957 7.870 -8.677 671 H GLN 26 H GLN 26 1.769 5.167 -9.307 672 HA GLN 26 HA GLN 26 -0.348 3.669 -10.436 673 1HB GLN 26 2HB GLN 26 2.587 3.220 -10.089 674 2HB GLN 26 1HB GLN 26 1.573 1.876 -10.594 675 1HG GLN 26 2HG GLN 26 0.796 3.138 -12.536 676 2HG GLN 26 1HG GLN 26 1.703 4.559 -12.011 677 1HE2 GLN 26 1HE2 GLN 26 3.580 1.933 -11.163 678 2HE2 GLN 26 2HE2 GLN 26 4.542 1.840 -12.556 679 H VAL 27 H VAL 27 1.677 3.260 -7.602 680 HA VAL 27 HA VAL 27 0.656 0.774 -6.770 681 HB VAL 27 HB VAL 27 2.031 2.978 -5.235 682 1HG1 VAL 27 1HG1 VAL 27 2.482 0.639 -3.855 683 2HG1 VAL 27 2HG1 VAL 27 0.802 0.436 -4.345 684 3HG1 VAL 27 3HG1 VAL 27 1.282 1.846 -3.402 685 1HG2 VAL 27 1HG2 VAL 27 3.925 2.103 -6.105 686 2HG2 VAL 27 2HG2 VAL 27 2.910 1.132 -7.173 687 3HG2 VAL 27 3HG2 VAL 27 3.449 0.473 -5.630 688 H VAL 28 H VAL 28 -0.193 4.113 -6.040 689 HA VAL 28 HA VAL 28 -2.271 3.546 -4.221 690 HB VAL 28 HB VAL 28 -1.923 5.893 -6.116 691 1HG1 VAL 28 1HG1 VAL 28 -3.386 6.366 -3.639 692 2HG1 VAL 28 2HG1 VAL 28 -4.164 5.136 -4.632 693 3HG1 VAL 28 3HG1 VAL 28 -3.852 6.735 -5.301 694 1HG2 VAL 28 1HG2 VAL 28 -0.461 6.780 -4.613 695 2HG2 VAL 28 2HG2 VAL 28 -0.335 5.153 -3.945 696 3HG2 VAL 28 3HG2 VAL 28 -1.463 6.309 -3.241 697 H ALA 29 H ALA 29 -2.027 3.631 -7.724 698 HA ALA 29 HA ALA 29 -4.750 3.556 -8.430 699 1HB ALA 29 1HB ALA 29 -2.919 1.934 -10.102 700 2HB ALA 29 2HB ALA 29 -2.356 3.580 -9.800 701 3HB ALA 29 3HB ALA 29 -3.932 3.313 -10.548 702 H PHE 30 H PHE 30 -2.372 1.042 -7.745 703 HA PHE 30 HA PHE 30 -4.161 -1.117 -8.117 704 1HB PHE 30 2HB PHE 30 -1.426 -0.907 -6.818 705 2HB PHE 30 1HB PHE 30 -2.276 -2.418 -7.132 706 HD1 PHE 30 1HD PHE 30 0.275 -0.478 -8.376 707 HD2 PHE 30 2HD PHE 30 -3.367 -2.339 -9.797 708 HE1 PHE 30 1HE PHE 30 1.095 -0.372 -10.666 709 HE2 PHE 30 2HE PHE 30 -2.497 -2.203 -12.086 710 HZ PHE 30 HZ PHE 30 -0.275 -1.237 -12.538 711 H ILE 31 H ILE 31 -2.920 0.629 -5.250 712 HA ILE 31 HA ILE 31 -4.099 -0.983 -3.266 713 HB ILE 31 HB ILE 31 -3.472 1.982 -3.264 714 1HG1 ILE 31 2HG1 ILE 31 -1.970 -0.276 -1.913 715 2HG1 ILE 31 1HG1 ILE 31 -1.573 0.262 -3.538 716 1HG2 ILE 31 1HG2 ILE 31 -5.073 1.622 -1.511 717 2HG2 ILE 31 2HG2 ILE 31 -3.486 1.646 -0.739 718 3HG2 ILE 31 3HG2 ILE 31 -4.301 0.111 -1.036 719 1HD1 ILE 31 1HD1 ILE 31 -1.591 1.995 -1.044 720 2HD1 ILE 31 2HD1 ILE 31 -1.244 2.567 -2.681 721 3HD1 ILE 31 3HD1 ILE 31 -0.145 1.425 -1.893 722 H ASN 32 H ASN 32 -5.251 1.917 -4.910 723 HA ASN 32 HA ASN 32 -7.767 2.134 -3.699 724 1HB ASN 32 2HB ASN 32 -6.548 3.810 -5.196 725 2HB ASN 32 1HB ASN 32 -7.155 2.881 -6.559 726 1HD2 ASN 32 1HD2 ASN 32 -8.045 5.377 -6.600 727 2HD2 ASN 32 2HD2 ASN 32 -9.638 5.523 -6.032 728 H SER 33 H SER 33 -6.606 0.013 -6.282 729 HA SER 33 HA SER 33 -9.238 -0.712 -7.135 730 1HB SER 33 2HB SER 33 -6.482 -1.503 -7.841 731 2HB SER 33 1HB SER 33 -7.809 -2.576 -8.287 732 HG SER 33 HG SER 33 -7.577 0.195 -8.880 733 H LEU 34 H LEU 34 -6.904 -1.847 -4.768 734 HA LEU 34 HA LEU 34 -8.106 -4.410 -4.319 735 1HB LEU 34 2HB LEU 34 -6.908 -2.838 -2.057 736 2HB LEU 34 1HB LEU 34 -6.830 -4.561 -2.365 737 HG LEU 34 HG LEU 34 -5.349 -2.406 -3.865 738 1HD1 LEU 34 1HD1 LEU 34 -3.457 -3.044 -2.763 739 2HD1 LEU 34 2HD1 LEU 34 -4.039 -4.697 -2.487 740 3HD1 LEU 34 3HD1 LEU 34 -4.670 -3.360 -1.519 741 1HD2 LEU 34 1HD2 LEU 34 -5.623 -5.337 -4.332 742 2HD2 LEU 34 2HD2 LEU 34 -4.210 -4.467 -4.883 743 3HD2 LEU 34 3HD2 LEU 34 -5.807 -4.029 -5.473 744 H ARG 35 H ARG 35 -8.464 -1.154 -3.054 745 HA ARG 35 HA ARG 35 -10.542 -1.504 -1.177 746 1HB ARG 35 2HB ARG 35 -9.352 0.696 -2.715 747 2HB ARG 35 1HB ARG 35 -11.071 0.929 -2.458 748 1HG ARG 35 2HG ARG 35 -10.627 1.666 -0.387 749 2HG ARG 35 1HG ARG 35 -10.001 0.077 0.035 750 1HD ARG 35 2HD ARG 35 -7.844 1.000 -1.248 751 2HD ARG 35 1HD ARG 35 -8.541 2.550 -0.791 752 HE ARG 35 HE ARG 35 -7.390 0.565 0.996 753 1HH1 ARG 35 1HH2 ARG 35 -10.034 2.709 1.073 754 2HH1 ARG 35 2HH2 ARG 35 -9.551 3.488 2.542 755 1HH2 ARG 35 1HH1 ARG 35 -6.512 1.847 2.717 756 2HH2 ARG 35 2HH1 ARG 35 -7.550 3.017 3.452 757 H ASP 36 H ASP 36 -10.593 -0.893 -4.660 758 HA ASP 36 HA ASP 36 -13.404 -0.826 -5.010 759 1HB ASP 36 2HB ASP 36 -11.777 0.080 -6.646 760 2HB ASP 36 1HB ASP 36 -11.234 -1.558 -7.003 761 H ASP 37 H ASP 37 -11.011 -3.411 -5.148 762 HA ASP 37 HA ASP 37 -13.076 -5.434 -4.800 763 1HB ASP 37 2HB ASP 37 -11.730 -4.944 -7.384 764 2HB ASP 37 1HB ASP 37 -11.690 -6.616 -6.844 765 HA PRO 38 HA PRO 38 -9.325 -6.472 -2.490 766 1HB PRO 38 2HB PRO 38 -11.033 -7.912 -0.688 767 2HB PRO 38 1HB PRO 38 -10.137 -6.421 -0.396 768 1HG PRO 38 2HG PRO 38 -12.897 -6.692 -0.586 769 2HG PRO 38 1HG PRO 38 -11.983 -5.180 -0.613 770 1HD PRO 38 2HD PRO 38 -13.289 -6.601 -2.833 771 2HD PRO 38 1HD PRO 38 -12.776 -4.905 -2.721 772 H SER 39 H SER 39 -11.943 -8.405 -3.731 773 HA SER 39 HA SER 39 -10.863 -10.989 -3.267 774 1HB SER 39 2HB SER 39 -12.789 -10.005 -5.389 775 2HB SER 39 1HB SER 39 -12.444 -11.699 -5.051 776 HG SER 39 HG SER 39 -13.411 -9.807 -3.164 777 H GLN 40 H GLN 40 -10.641 -8.649 -5.909 778 HA GLN 40 HA GLN 40 -8.680 -10.331 -7.251 779 1HB GLN 40 2HB GLN 40 -9.391 -7.820 -8.576 780 2HB GLN 40 1HB GLN 40 -9.269 -9.439 -9.214 781 1HG GLN 40 2HG GLN 40 -11.595 -8.532 -7.525 782 2HG GLN 40 1HG GLN 40 -11.603 -8.523 -9.282 783 1HE2 GLN 40 1HE2 GLN 40 -13.192 -10.201 -7.273 784 2HE2 GLN 40 2HE2 GLN 40 -12.912 -11.804 -7.754 785 H SER 41 H SER 41 -8.251 -8.726 -4.727 786 HA SER 41 HA SER 41 -6.703 -6.469 -5.252 787 1HB SER 41 2HB SER 41 -7.318 -7.035 -2.968 788 2HB SER 41 1HB SER 41 -6.513 -8.597 -3.083 789 HG SER 41 HG SER 41 -5.505 -6.132 -2.491 790 H ALA 42 H ALA 42 -6.050 -9.828 -5.447 791 HA ALA 42 HA ALA 42 -3.219 -9.746 -5.825 792 1HB ALA 42 1HB ALA 42 -5.109 -11.913 -6.725 793 2HB ALA 42 2HB ALA 42 -4.672 -11.696 -5.027 794 3HB ALA 42 3HB ALA 42 -3.424 -12.074 -6.218 795 H ASN 43 H ASN 43 -6.027 -9.436 -7.845 796 HA ASN 43 HA ASN 43 -4.935 -10.085 -10.358 797 1HB ASN 43 2HB ASN 43 -7.337 -9.934 -9.612 798 2HB ASN 43 1HB ASN 43 -7.176 -8.198 -9.885 799 1HD2 ASN 43 1HD2 ASN 43 -6.243 -7.643 -12.175 800 2HD2 ASN 43 2HD2 ASN 43 -6.797 -8.594 -13.467 801 H LEU 44 H LEU 44 -5.697 -6.934 -8.900 802 HA LEU 44 HA LEU 44 -4.373 -5.621 -11.016 803 1HB LEU 44 2HB LEU 44 -4.976 -3.534 -10.024 804 2HB LEU 44 1HB LEU 44 -6.349 -4.612 -9.972 805 HG LEU 44 HG LEU 44 -6.008 -3.253 -7.955 806 1HD1 LEU 44 1HD1 LEU 44 -5.774 -6.004 -7.012 807 2HD1 LEU 44 2HD1 LEU 44 -7.017 -5.697 -8.216 808 3HD1 LEU 44 3HD1 LEU 44 -7.016 -4.784 -6.706 809 1HD2 LEU 44 1HD2 LEU 44 -3.923 -5.045 -6.961 810 2HD2 LEU 44 2HD2 LEU 44 -4.231 -3.349 -6.617 811 3HD2 LEU 44 3HD2 LEU 44 -3.419 -3.791 -8.094 812 H LEU 45 H LEU 45 -3.552 -6.932 -7.970 813 HA LEU 45 HA LEU 45 -1.058 -5.600 -7.575 814 1HB LEU 45 2HB LEU 45 -1.639 -6.844 -5.682 815 2HB LEU 45 1HB LEU 45 -2.310 -8.156 -6.635 816 HG LEU 45 HG LEU 45 -0.008 -8.815 -7.321 817 1HD1 LEU 45 1HD1 LEU 45 1.925 -7.792 -6.374 818 2HD1 LEU 45 2HD1 LEU 45 0.957 -6.854 -5.238 819 3HD1 LEU 45 3HD1 LEU 45 0.921 -6.466 -6.956 820 1HD2 LEU 45 1HD2 LEU 45 -0.264 -10.218 -5.593 821 2HD2 LEU 45 2HD2 LEU 45 -1.153 -9.014 -4.667 822 3HD2 LEU 45 3HD2 LEU 45 0.607 -9.061 -4.588 823 H ALA 46 H ALA 46 -2.372 -8.225 -9.380 824 HA ALA 46 HA ALA 46 0.014 -9.320 -10.474 825 1HB ALA 46 1HB ALA 46 -2.236 -9.481 -12.302 826 2HB ALA 46 2HB ALA 46 -2.770 -9.846 -10.662 827 3HB ALA 46 3HB ALA 46 -1.461 -10.778 -11.394 828 H GLU 47 H GLU 47 -2.262 -6.830 -11.412 829 HA GLU 47 HA GLU 47 -1.113 -6.057 -13.863 830 1HB GLU 47 2HB GLU 47 -2.775 -4.478 -11.882 831 2HB GLU 47 1HB GLU 47 -2.340 -3.912 -13.487 832 1HG GLU 47 2HG GLU 47 -4.010 -6.324 -12.792 833 2HG GLU 47 1HG GLU 47 -4.571 -4.824 -13.510 834 H ALA 48 H ALA 48 -0.428 -5.338 -10.511 835 HA ALA 48 HA ALA 48 1.159 -3.021 -10.954 836 1HB ALA 48 1HB ALA 48 1.739 -4.473 -8.539 837 2HB ALA 48 2HB ALA 48 -0.001 -4.403 -8.820 838 3HB ALA 48 3HB ALA 48 0.943 -2.918 -8.739 839 H LYS 49 H LYS 49 1.868 -6.386 -10.159 840 HA LYS 49 HA LYS 49 4.685 -6.040 -10.287 841 1HB LYS 49 2HB LYS 49 4.786 -8.486 -10.283 842 2HB LYS 49 1HB LYS 49 3.625 -7.885 -9.096 843 1HG LYS 49 2HG LYS 49 1.808 -8.280 -10.625 844 2HG LYS 49 1HG LYS 49 2.925 -8.876 -11.846 845 1HD LYS 49 2HD LYS 49 2.038 -10.830 -10.784 846 2HD LYS 49 1HD LYS 49 3.659 -10.623 -10.128 847 1HE LYS 49 2HE LYS 49 2.793 -10.550 -8.049 848 2HE LYS 49 1HE LYS 49 1.894 -9.098 -8.482 849 1HZ LYS 49 1HZ LYS 49 0.778 -11.586 -9.463 850 2HZ LYS 49 2HZ LYS 49 0.004 -10.245 -8.765 851 3HZ LYS 49 3HZ LYS 49 0.753 -11.404 -7.777 852 H LYS 50 H LYS 50 2.181 -6.605 -12.615 853 HA LYS 50 HA LYS 50 3.856 -7.205 -14.868 854 1HB LYS 50 2HB LYS 50 1.042 -6.204 -14.565 855 2HB LYS 50 1HB LYS 50 1.804 -6.365 -16.141 856 1HG LYS 50 2HG LYS 50 2.134 -8.745 -15.815 857 2HG LYS 50 1HG LYS 50 1.564 -8.646 -14.152 858 1HD LYS 50 2HD LYS 50 -0.640 -7.753 -15.096 859 2HD LYS 50 1HD LYS 50 -0.038 -8.209 -16.688 860 1HE LYS 50 2HE LYS 50 -0.130 -10.490 -16.219 861 2HE LYS 50 1HE LYS 50 -0.003 -10.243 -14.477 862 1HZ LYS 50 1HZ LYS 50 -2.291 -10.778 -15.703 863 2HZ LYS 50 2HZ LYS 50 -2.333 -9.081 -15.769 864 3HZ LYS 50 3HZ LYS 50 -2.199 -9.873 -14.272 865 H LEU 51 H LEU 51 2.467 -4.297 -13.413 866 HA LEU 51 HA LEU 51 3.375 -2.503 -15.445 867 1HB LEU 51 2HB LEU 51 1.987 -2.304 -12.892 868 2HB LEU 51 1HB LEU 51 3.195 -1.037 -13.066 869 HG LEU 51 HG LEU 51 0.964 -0.414 -13.978 870 1HD1 LEU 51 1HD1 LEU 51 2.591 0.920 -14.900 871 2HD1 LEU 51 2HD1 LEU 51 2.059 0.101 -16.372 872 3HD1 LEU 51 3HD1 LEU 51 3.517 -0.449 -15.536 873 1HD2 LEU 51 1HD2 LEU 51 1.013 -1.709 -16.484 874 2HD2 LEU 51 2HD2 LEU 51 -0.141 -1.984 -15.177 875 3HD2 LEU 51 3HD2 LEU 51 1.302 -2.992 -15.304 876 H ASN 52 H ASN 52 4.582 -3.611 -12.383 877 HA ASN 52 HA ASN 52 6.916 -2.013 -12.253 878 1HB ASN 52 2HB ASN 52 6.211 -3.222 -10.299 879 2HB ASN 52 1HB ASN 52 6.252 -4.752 -11.154 880 1HD2 ASN 52 1HD2 ASN 52 8.447 -5.455 -11.933 881 2HD2 ASN 52 2HD2 ASN 52 9.810 -5.030 -11.017 882 H ASP 53 H ASP 53 6.032 -5.084 -13.644 883 HA ASP 53 HA ASP 53 8.609 -5.758 -14.690 884 1HB ASP 53 2HB ASP 53 6.707 -7.387 -14.475 885 2HB ASP 53 1HB ASP 53 5.917 -6.564 -15.817 886 H ALA 54 H ALA 54 5.885 -3.883 -15.824 887 HA ALA 54 HA ALA 54 6.690 -3.485 -18.499 888 1HB ALA 54 1HB ALA 54 4.420 -3.038 -17.275 889 2HB ALA 54 2HB ALA 54 4.898 -2.026 -18.639 890 3HB ALA 54 3HB ALA 54 5.112 -1.442 -16.989 891 H GLN 55 H GLN 55 7.297 -1.706 -15.499 892 HA GLN 55 HA GLN 55 8.873 0.327 -16.880 893 1HB GLN 55 2HB GLN 55 8.144 -0.094 -14.022 894 2HB GLN 55 1HB GLN 55 9.077 1.271 -14.599 895 1HG GLN 55 2HG GLN 55 7.260 2.222 -15.673 896 2HG GLN 55 1HG GLN 55 6.463 0.667 -15.919 897 1HE2 GLN 55 1HE2 GLN 55 6.049 -0.458 -13.589 898 2HE2 GLN 55 2HE2 GLN 55 5.270 0.562 -12.479 899 H ALA 56 H ALA 56 9.430 -2.746 -15.761 900 HA ALA 56 HA ALA 56 11.884 -2.491 -14.371 901 1HB ALA 56 1HB ALA 56 12.222 -4.871 -14.925 902 2HB ALA 56 2HB ALA 56 10.871 -4.793 -16.048 903 3HB ALA 56 3HB ALA 56 10.595 -4.570 -14.322 904 HA PRO 57 HA PRO 57 14.802 -1.832 -17.546 905 1HB PRO 57 2HB PRO 57 16.866 -3.414 -16.291 906 2HB PRO 57 1HB PRO 57 16.606 -1.669 -16.180 907 1HG PRO 57 2HG PRO 57 16.306 -3.416 -14.103 908 2HG PRO 57 1HG PRO 57 15.527 -1.831 -14.213 909 1HD PRO 57 2HD PRO 57 14.388 -4.538 -14.822 910 2HD PRO 57 1HD PRO 57 13.644 -3.157 -13.978 911 H LYS 58 H LYS 58 13.088 -3.886 -18.229 912 HA LYS 58 HA LYS 58 14.057 -6.362 -18.936 913 1HB LYS 58 2HB LYS 58 12.329 -4.848 -20.827 914 2HB LYS 58 1HB LYS 58 12.298 -6.554 -20.448 915 1HG LYS 58 2HG LYS 58 10.654 -6.139 -18.963 916 2HG LYS 58 1HG LYS 58 11.815 -5.243 -17.994 917 1HD LYS 58 2HD LYS 58 10.208 -3.595 -18.355 918 2HD LYS 58 1HD LYS 58 11.285 -3.293 -19.713 919 1HE LYS 58 2HE LYS 58 8.967 -3.338 -20.497 920 2HE LYS 58 1HE LYS 58 9.838 -4.723 -21.150 921 1HZ LYS 58 1HZ LYS 58 7.513 -5.010 -20.022 922 2HZ LYS 58 2HZ LYS 58 8.433 -5.026 -18.594 923 3HZ LYS 58 3HZ LYS 58 8.725 -6.176 -19.809 Start of MODEL 29 1 1H VAL 1 1HT VAL 1 13.972 -15.497 9.024 2 2H VAL 1 2HT VAL 1 12.728 -16.575 9.445 3 3H VAL 1 3HT VAL 1 12.462 -14.898 9.513 4 HA VAL 1 HA VAL 1 12.905 -14.834 7.057 5 HB VAL 1 HB VAL 1 12.460 -17.825 7.392 6 1HG1 VAL 1 1HG1 VAL 1 11.464 -17.015 5.332 7 2HG1 VAL 1 2HG1 VAL 1 12.976 -17.824 4.923 8 3HG1 VAL 1 3HG1 VAL 1 12.902 -16.063 4.958 9 1HG2 VAL 1 1HG2 VAL 1 14.792 -17.966 6.430 10 2HG2 VAL 1 2HG2 VAL 1 14.731 -17.287 8.055 11 3HG2 VAL 1 3HG2 VAL 1 14.936 -16.223 6.664 12 H ASP 2 H ASP 2 11.073 -13.669 6.941 13 HA ASP 2 HA ASP 2 8.529 -15.018 6.710 14 1HB ASP 2 2HB ASP 2 7.413 -13.713 8.495 15 2HB ASP 2 1HB ASP 2 8.640 -14.797 9.145 16 H ASN 3 H ASN 3 6.757 -13.406 6.292 17 HA ASN 3 HA ASN 3 7.810 -11.113 4.743 18 1HB ASN 3 2HB ASN 3 5.404 -12.893 4.318 19 2HB ASN 3 1HB ASN 3 5.591 -11.348 3.493 20 1HD2 ASN 3 1HD2 ASN 3 6.523 -14.674 3.433 21 2HD2 ASN 3 2HD2 ASN 3 7.658 -14.553 2.178 22 H LYS 4 H LYS 4 7.074 -11.255 7.658 23 HA LYS 4 HA LYS 4 4.609 -10.024 8.177 24 1HB LYS 4 2HB LYS 4 6.095 -10.960 9.936 25 2HB LYS 4 1HB LYS 4 7.218 -9.625 9.677 26 1HG LYS 4 2HG LYS 4 5.937 -8.893 11.506 27 2HG LYS 4 1HG LYS 4 5.147 -8.105 10.143 28 1HD LYS 4 2HD LYS 4 3.521 -10.002 10.040 29 2HD LYS 4 1HD LYS 4 4.273 -10.680 11.481 30 1HE LYS 4 2HE LYS 4 2.826 -8.024 11.247 31 2HE LYS 4 1HE LYS 4 2.332 -9.426 12.193 32 1HZ LYS 4 1HZ LYS 4 4.679 -9.073 13.261 33 2HZ LYS 4 2HZ LYS 4 3.338 -8.174 13.791 34 3HZ LYS 4 3HZ LYS 4 4.460 -7.481 12.718 35 H PHE 5 H PHE 5 7.794 -8.577 7.539 36 HA PHE 5 HA PHE 5 7.053 -5.898 7.747 37 1HB PHE 5 2HB PHE 5 9.108 -5.364 6.699 38 2HB PHE 5 1HB PHE 5 9.417 -6.855 7.582 39 HD1 PHE 5 1HD PHE 5 9.354 -9.069 6.327 40 HD2 PHE 5 2HD PHE 5 9.351 -5.255 4.318 41 HE1 PHE 5 1HE PHE 5 10.058 -10.172 4.224 42 HE2 PHE 5 2HE PHE 5 10.056 -6.373 2.222 43 HZ PHE 5 HZ PHE 5 10.410 -8.826 2.175 44 H ASN 6 H ASN 6 6.880 -8.169 5.020 45 HA ASN 6 HA ASN 6 6.154 -6.296 3.029 46 1HB ASN 6 2HB ASN 6 6.913 -8.672 2.667 47 2HB ASN 6 1HB ASN 6 5.314 -9.189 3.202 48 1HD2 ASN 6 1HD2 ASN 6 4.535 -9.973 1.210 49 2HD2 ASN 6 2HD2 ASN 6 4.318 -8.987 -0.161 50 H LYS 7 H LYS 7 4.246 -8.374 5.192 51 HA LYS 7 HA LYS 7 1.711 -7.604 4.199 52 1HB LYS 7 2HB LYS 7 2.251 -9.622 5.678 53 2HB LYS 7 1HB LYS 7 2.287 -8.495 7.033 54 1HG LYS 7 2HG LYS 7 -0.007 -7.874 6.692 55 2HG LYS 7 1HG LYS 7 -0.069 -8.713 5.142 56 1HD LYS 7 2HD LYS 7 0.737 -10.452 7.380 57 2HD LYS 7 1HD LYS 7 -0.882 -9.779 7.562 58 1HE LYS 7 2HE LYS 7 -1.393 -10.546 5.213 59 2HE LYS 7 1HE LYS 7 0.175 -11.354 5.200 60 1HZ LYS 7 1HZ LYS 7 -1.834 -12.720 5.874 61 2HZ LYS 7 2HZ LYS 7 -1.807 -11.851 7.334 62 3HZ LYS 7 3HZ LYS 7 -0.474 -12.804 6.884 63 H GLU 8 H GLU 8 3.832 -6.439 6.761 64 HA GLU 8 HA GLU 8 2.052 -4.439 7.702 65 1HB GLU 8 2HB GLU 8 5.025 -4.838 8.013 66 2HB GLU 8 1HB GLU 8 4.141 -3.513 8.783 67 1HG GLU 8 2HG GLU 8 2.727 -5.077 9.989 68 2HG GLU 8 1HG GLU 8 3.429 -6.442 9.133 69 H LEU 9 H LEU 9 4.605 -4.521 5.333 70 HA LEU 9 HA LEU 9 4.772 -1.741 4.688 71 1HB LEU 9 2HB LEU 9 6.480 -3.280 3.892 72 2HB LEU 9 1HB LEU 9 5.277 -4.250 3.043 73 HG LEU 9 HG LEU 9 4.734 -2.060 1.748 74 1HD1 LEU 9 1HD1 LEU 9 7.489 -1.182 1.935 75 2HD1 LEU 9 2HD1 LEU 9 6.649 -0.981 3.476 76 3HD1 LEU 9 3HD1 LEU 9 6.009 -0.259 1.995 77 1HD2 LEU 9 1HD2 LEU 9 5.773 -3.922 0.679 78 2HD2 LEU 9 2HD2 LEU 9 7.333 -3.544 1.407 79 3HD2 LEU 9 3HD2 LEU 9 6.629 -2.462 0.200 80 H GLY 10 H GLY 10 2.759 -4.407 3.588 81 1HA GLY 10 2HA GLY 10 1.319 -2.853 1.720 82 2HA GLY 10 1HA GLY 10 0.894 -4.449 2.302 83 H TRP 11 H TRP 11 0.844 -3.927 5.065 84 HA TRP 11 HA TRP 11 -1.726 -2.870 5.183 85 1HB TRP 11 2HB TRP 11 -0.545 -4.618 6.775 86 2HB TRP 11 1HB TRP 11 -0.385 -3.153 7.755 87 HD1 TRP 11 HD TRP 11 -2.284 -3.674 9.450 88 HE1 TRP 11 1HE TRP 11 -4.854 -3.822 9.279 89 HE3 TRP 11 3HE TRP 11 -2.930 -3.704 4.345 90 HZ2 TRP 11 2HZ TRP 11 -6.893 -3.870 7.287 91 HZ3 TRP 11 3HZ TRP 11 -5.134 -3.751 3.349 92 HH2 TRP 11 HH TRP 11 -7.161 -3.858 4.814 93 H ALA 12 H ALA 12 1.245 -1.585 6.497 94 HA ALA 12 HA ALA 12 0.065 0.636 7.646 95 1HB ALA 12 1HB ALA 12 2.297 0.369 8.236 96 2HB ALA 12 2HB ALA 12 2.426 1.684 7.064 97 3HB ALA 12 3HB ALA 12 2.795 0.030 6.583 98 H THR 13 H THR 13 1.085 -0.021 4.338 99 HA THR 13 HA THR 13 0.748 2.490 3.132 100 HB THR 13 HB THR 13 0.446 -0.346 2.232 101 HG1 THR 13 1HG THR 13 2.491 0.101 2.311 102 1HG2 THR 13 1HG2 THR 13 -0.134 2.171 0.698 103 2HG2 THR 13 2HG2 THR 13 -1.049 0.662 0.740 104 3HG2 THR 13 3HG2 THR 13 0.492 0.735 -0.113 105 H TRP 14 H TRP 14 -1.539 -0.138 3.689 106 HA TRP 14 HA TRP 14 -3.847 1.068 2.575 107 1HB TRP 14 2HB TRP 14 -3.404 -1.354 3.167 108 2HB TRP 14 1HB TRP 14 -3.724 -0.919 4.831 109 HD1 TRP 14 HD TRP 14 -6.179 -0.663 5.565 110 HE1 TRP 14 1HE TRP 14 -8.421 -1.152 4.427 111 HE3 TRP 14 3HE TRP 14 -4.650 -0.936 0.704 112 HZ2 TRP 14 2HZ TRP 14 -9.426 -1.594 1.802 113 HZ3 TRP 14 3HZ TRP 14 -6.254 -1.370 -1.055 114 HH2 TRP 14 HH TRP 14 -8.622 -1.721 -0.525 115 H GLU 15 H GLU 15 -2.664 0.814 5.910 116 HA GLU 15 HA GLU 15 -4.839 2.075 7.161 117 1HB GLU 15 2HB GLU 15 -1.932 1.840 7.981 118 2HB GLU 15 1HB GLU 15 -3.233 2.368 9.052 119 1HG GLU 15 2HG GLU 15 -4.365 0.242 8.866 120 2HG GLU 15 1HG GLU 15 -3.300 -0.288 7.565 121 H ILE 16 H ILE 16 -1.858 3.338 5.760 122 HA ILE 16 HA ILE 16 -2.268 6.094 6.507 123 HB ILE 16 HB ILE 16 -0.629 4.798 4.272 124 1HG1 ILE 16 2HG1 ILE 16 0.379 5.968 6.862 125 2HG1 ILE 16 1HG1 ILE 16 -0.028 4.280 6.717 126 1HG2 ILE 16 1HG2 ILE 16 0.549 7.235 4.935 127 2HG2 ILE 16 2HG2 ILE 16 -1.173 7.603 4.875 128 3HG2 ILE 16 3HG2 ILE 16 -0.374 6.890 3.477 129 1HD1 ILE 16 1HD1 ILE 16 1.717 5.303 4.552 130 2HD1 ILE 16 2HD1 ILE 16 1.847 3.818 5.504 131 3HD1 ILE 16 3HD1 ILE 16 2.449 5.335 6.164 132 H PHE 17 H PHE 17 -3.049 3.997 3.808 133 HA PHE 17 HA PHE 17 -4.094 5.850 1.943 134 1HB PHE 17 2HB PHE 17 -3.535 3.219 1.903 135 2HB PHE 17 1HB PHE 17 -5.255 3.112 2.183 136 HD1 PHE 17 1HD PHE 17 -6.831 3.702 0.472 137 HD2 PHE 17 2HD PHE 17 -2.625 4.267 -0.146 138 HE1 PHE 17 1HE PHE 17 -7.222 3.975 -1.954 139 HE2 PHE 17 2HE PHE 17 -3.010 4.538 -2.572 140 HZ PHE 17 HZ PHE 17 -5.319 4.385 -3.463 141 H ASN 18 H ASN 18 -5.507 4.028 4.597 142 HA ASN 18 HA ASN 18 -8.207 4.968 4.084 143 1HB ASN 18 2HB ASN 18 -7.045 3.169 6.220 144 2HB ASN 18 1HB ASN 18 -8.759 3.536 6.051 145 1HD2 ASN 18 1HD2 ASN 18 -9.327 1.327 5.536 146 2HD2 ASN 18 2HD2 ASN 18 -8.895 0.612 4.059 147 H LEU 19 H LEU 19 -5.687 6.572 5.479 148 HA LEU 19 HA LEU 19 -6.873 7.331 7.946 149 1HB LEU 19 2HB LEU 19 -4.510 8.169 6.406 150 2HB LEU 19 1HB LEU 19 -5.202 9.417 7.436 151 HG LEU 19 HG LEU 19 -4.413 6.625 8.358 152 1HD1 LEU 19 1HD1 LEU 19 -2.971 9.126 8.097 153 2HD1 LEU 19 2HD1 LEU 19 -2.361 7.518 8.474 154 3HD1 LEU 19 3HD1 LEU 19 -2.982 8.551 9.753 155 1HD2 LEU 19 1HD2 LEU 19 -5.949 7.151 9.969 156 2HD2 LEU 19 2HD2 LEU 19 -5.873 8.876 9.617 157 3HD2 LEU 19 3HD2 LEU 19 -4.623 8.129 10.599 158 HA PRO 20 HA PRO 20 -9.826 10.145 6.254 159 1HB PRO 20 2HB PRO 20 -10.327 11.276 8.866 160 2HB PRO 20 1HB PRO 20 -11.269 10.055 7.996 161 1HG PRO 20 2HG PRO 20 -9.887 9.577 10.287 162 2HG PRO 20 1HG PRO 20 -10.239 8.336 9.069 163 1HD PRO 20 2HD PRO 20 -7.718 9.932 9.451 164 2HD PRO 20 1HD PRO 20 -7.909 8.191 9.163 165 H ASN 21 H ASN 21 -6.801 11.390 6.962 166 HA ASN 21 HA ASN 21 -7.867 14.113 6.396 167 1HB ASN 21 2HB ASN 21 -5.771 14.044 8.474 168 2HB ASN 21 1HB ASN 21 -7.054 15.200 8.210 169 1HD2 ASN 21 1HD2 ASN 21 -8.791 15.034 9.597 170 2HD2 ASN 21 2HD2 ASN 21 -9.147 13.681 10.552 171 H LEU 22 H LEU 22 -5.563 11.801 5.716 172 HA LEU 22 HA LEU 22 -3.389 13.589 5.071 173 1HB LEU 22 2HB LEU 22 -3.868 10.737 4.207 174 2HB LEU 22 1HB LEU 22 -2.353 11.629 4.051 175 HG LEU 22 HG LEU 22 -3.762 10.965 6.656 176 1HD1 LEU 22 1HD1 LEU 22 -2.757 8.987 6.056 177 2HD1 LEU 22 2HD1 LEU 22 -1.421 9.781 6.887 178 3HD1 LEU 22 3HD1 LEU 22 -1.487 9.776 5.127 179 1HD2 LEU 22 1HD2 LEU 22 -2.630 12.948 7.152 180 2HD2 LEU 22 2HD2 LEU 22 -1.364 12.631 5.957 181 3HD2 LEU 22 3HD2 LEU 22 -1.388 11.740 7.474 182 H ASN 23 H ASN 23 -2.671 14.230 3.035 183 HA ASN 23 HA ASN 23 -4.818 14.352 1.030 184 1HB ASN 23 2HB ASN 23 -3.935 16.329 0.315 185 2HB ASN 23 1HB ASN 23 -3.284 16.355 1.946 186 1HD2 ASN 23 1HD2 ASN 23 -2.436 16.606 -1.317 187 2HD2 ASN 23 2HD2 ASN 23 -0.768 16.356 -1.159 188 H GLY 24 H GLY 24 -4.168 14.067 -1.263 189 1HA GLY 24 2HA GLY 24 -3.333 11.533 -1.832 190 2HA GLY 24 1HA GLY 24 -3.208 12.860 -2.978 191 H VAL 25 H VAL 25 -1.234 14.413 -1.658 192 HA VAL 25 HA VAL 25 1.111 13.032 -2.523 193 HB VAL 25 HB VAL 25 0.810 15.646 -1.050 194 1HG1 VAL 25 1HG1 VAL 25 3.179 14.202 -2.239 195 2HG1 VAL 25 2HG1 VAL 25 3.053 14.995 -0.668 196 3HG1 VAL 25 3HG1 VAL 25 3.156 15.964 -2.138 197 1HG2 VAL 25 1HG2 VAL 25 -0.219 15.822 -3.193 198 2HG2 VAL 25 2HG2 VAL 25 1.006 14.796 -3.946 199 3HG2 VAL 25 3HG2 VAL 25 1.415 16.440 -3.443 200 H GLN 26 H GLN 26 -0.038 13.976 0.771 201 HA GLN 26 HA GLN 26 2.239 12.975 2.075 202 1HB GLN 26 2HB GLN 26 -0.422 13.889 2.860 203 2HB GLN 26 1HB GLN 26 0.221 12.630 3.913 204 1HG GLN 26 2HG GLN 26 2.020 13.919 4.610 205 2HG GLN 26 1HG GLN 26 2.071 14.846 3.107 206 1HE2 GLN 26 1HE2 GLN 26 -0.227 14.282 5.790 207 2HE2 GLN 26 2HE2 GLN 26 -0.698 15.904 5.928 208 H VAL 27 H VAL 27 -0.838 11.420 1.234 209 HA VAL 27 HA VAL 27 -0.254 8.921 2.452 210 HB VAL 27 HB VAL 27 -1.979 9.475 0.015 211 1HG1 VAL 27 1HG1 VAL 27 -3.086 7.332 0.754 212 2HG1 VAL 27 2HG1 VAL 27 -1.768 7.111 1.908 213 3HG1 VAL 27 3HG1 VAL 27 -1.434 7.111 0.175 214 1HG2 VAL 27 1HG2 VAL 27 -2.669 10.736 2.049 215 2HG2 VAL 27 2HG2 VAL 27 -2.707 9.228 2.957 216 3HG2 VAL 27 3HG2 VAL 27 -3.840 9.488 1.631 217 H LYS 28 H LYS 28 0.242 10.174 -0.824 218 HA LYS 28 HA LYS 28 1.463 7.886 -1.935 219 1HB LYS 28 2HB LYS 28 1.554 10.832 -2.632 220 2HB LYS 28 1HB LYS 28 2.529 9.652 -3.511 221 1HG LYS 28 2HG LYS 28 0.609 8.469 -4.279 222 2HG LYS 28 1HG LYS 28 -0.451 9.277 -3.131 223 1HD LYS 28 2HD LYS 28 -0.894 10.377 -5.178 224 2HD LYS 28 1HD LYS 28 0.217 11.467 -4.352 225 1HE LYS 28 2HE LYS 28 1.201 9.352 -6.277 226 2HE LYS 28 1HE LYS 28 0.714 10.954 -6.825 227 1HZ LYS 28 1HZ LYS 28 2.763 11.593 -6.316 228 2HZ LYS 28 2HZ LYS 28 3.105 10.145 -5.494 229 3HZ LYS 28 3HZ LYS 28 2.341 11.428 -4.682 230 H ALA 29 H ALA 29 2.729 10.541 -0.031 231 HA ALA 29 HA ALA 29 5.478 10.026 -0.429 232 1HB ALA 29 1HB ALA 29 4.509 12.173 0.412 233 2HB ALA 29 2HB ALA 29 5.842 11.543 1.379 234 3HB ALA 29 3HB ALA 29 4.181 11.344 1.935 235 H PHE 30 H PHE 30 3.153 9.127 2.057 236 HA PHE 30 HA PHE 30 4.988 7.796 3.692 237 1HB PHE 30 2HB PHE 30 2.003 7.450 3.397 238 2HB PHE 30 1HB PHE 30 2.980 6.758 4.689 239 HD1 PHE 30 1HD PHE 30 4.847 8.853 5.452 240 HD2 PHE 30 2HD PHE 30 0.692 9.216 4.323 241 HE1 PHE 30 1HE PHE 30 4.669 10.961 6.712 242 HE2 PHE 30 2HE PHE 30 0.546 11.312 5.607 243 HZ PHE 30 HZ PHE 30 2.528 12.177 6.787 244 H ILE 31 H ILE 31 2.975 6.887 0.952 245 HA ILE 31 HA ILE 31 3.602 4.127 1.003 246 HB ILE 31 HB ILE 31 2.637 5.941 -1.209 247 1HG1 ILE 31 2HG1 ILE 31 1.319 3.683 0.339 248 2HG1 ILE 31 1HG1 ILE 31 1.040 5.397 0.605 249 1HG2 ILE 31 1HG2 ILE 31 2.218 3.203 -1.914 250 2HG2 ILE 31 2HG2 ILE 31 3.922 3.363 -1.515 251 3HG2 ILE 31 3HG2 ILE 31 3.209 4.392 -2.753 252 1HD1 ILE 31 1HD1 ILE 31 0.564 4.082 -2.072 253 2HD1 ILE 31 2HD1 ILE 31 0.003 5.661 -1.526 254 3HD1 ILE 31 3HD1 ILE 31 -0.684 4.191 -0.837 255 H ASP 32 H ASP 32 4.960 6.920 -0.632 256 HA ASP 32 HA ASP 32 6.943 5.596 -2.094 257 1HB ASP 32 2HB ASP 32 6.777 8.417 -1.037 258 2HB ASP 32 1HB ASP 32 8.092 7.868 -2.076 259 H SER 33 H SER 33 6.961 6.899 1.127 260 HA SER 33 HA SER 33 9.703 6.370 1.717 261 1HB SER 33 2HB SER 33 7.300 6.754 3.532 262 2HB SER 33 1HB SER 33 8.986 6.728 4.065 263 HG SER 33 HG SER 33 7.843 8.511 2.170 264 H LEU 34 H LEU 34 6.709 4.616 1.929 265 HA LEU 34 HA LEU 34 7.492 2.340 3.481 266 1HB LEU 34 2HB LEU 34 5.289 3.216 1.733 267 2HB LEU 34 1HB LEU 34 5.574 1.506 1.715 268 HG LEU 34 HG LEU 34 5.590 2.612 4.397 269 1HD1 LEU 34 1HD1 LEU 34 2.941 2.594 4.220 270 2HD1 LEU 34 2HD1 LEU 34 3.281 3.084 2.567 271 3HD1 LEU 34 3HD1 LEU 34 3.851 4.068 3.911 272 1HD2 LEU 34 1HD2 LEU 34 3.831 0.715 4.533 273 2HD2 LEU 34 2HD2 LEU 34 5.501 0.307 4.181 274 3HD2 LEU 34 3HD2 LEU 34 4.334 0.361 2.878 275 H ARG 35 H ARG 35 7.227 2.842 -0.026 276 HA ARG 35 HA ARG 35 8.295 0.354 -0.837 277 1HB ARG 35 2HB ARG 35 9.119 2.540 -2.604 278 2HB ARG 35 1HB ARG 35 8.111 1.141 -2.950 279 1HG ARG 35 2HG ARG 35 6.233 2.337 -1.751 280 2HG ARG 35 1HG ARG 35 7.279 3.745 -1.708 281 1HD ARG 35 2HD ARG 35 6.013 4.150 -3.617 282 2HD ARG 35 1HD ARG 35 7.450 3.383 -4.292 283 HE ARG 35 HE ARG 35 4.784 2.207 -4.048 284 1HH1 ARG 35 1HH2 ARG 35 6.394 2.250 -6.609 285 2HH1 ARG 35 2HH2 ARG 35 6.953 0.613 -6.693 286 1HH2 ARG 35 1HH1 ARG 35 6.267 -0.032 -3.354 287 2HH2 ARG 35 2HH1 ARG 35 6.873 -0.694 -4.841 288 H ASP 36 H ASP 36 9.853 3.478 -0.309 289 HA ASP 36 HA ASP 36 12.500 2.717 -0.940 290 1HB ASP 36 2HB ASP 36 11.521 5.065 -0.811 291 2HB ASP 36 1HB ASP 36 11.697 4.907 0.922 292 H ASP 37 H ASP 37 10.618 2.789 1.988 293 HA ASP 37 HA ASP 37 12.627 1.145 3.354 294 1HB ASP 37 2HB ASP 37 11.351 3.434 4.833 295 2HB ASP 37 1HB ASP 37 12.792 2.518 5.258 296 HA PRO 38 HA PRO 38 8.489 -0.561 3.888 297 1HB PRO 38 2HB PRO 38 9.699 -3.153 3.981 298 2HB PRO 38 1HB PRO 38 8.673 -2.454 2.737 299 1HG PRO 38 2HG PRO 38 11.363 -3.043 2.487 300 2HG PRO 38 1HG PRO 38 10.414 -2.007 1.410 301 1HD PRO 38 2HD PRO 38 12.357 -1.244 3.514 302 2HD PRO 38 1HD PRO 38 11.847 -0.356 2.060 303 H SER 39 H SER 39 11.424 -1.412 5.651 304 HA SER 39 HA SER 39 10.149 -2.580 7.907 305 1HB SER 39 2HB SER 39 12.288 -2.230 9.046 306 2HB SER 39 1HB SER 39 12.579 -2.827 7.415 307 HG SER 39 HG SER 39 13.882 -0.990 8.041 308 H GLN 40 H GLN 40 10.675 0.618 6.773 309 HA GLN 40 HA GLN 40 10.093 1.970 9.267 310 1HB GLN 40 2HB GLN 40 11.668 2.754 7.376 311 2HB GLN 40 1HB GLN 40 10.197 3.196 6.518 312 1HG GLN 40 2HG GLN 40 9.543 4.682 8.358 313 2HG GLN 40 1HG GLN 40 10.985 4.222 9.260 314 1HE2 GLN 40 1HE2 GLN 40 12.751 5.592 8.951 315 2HE2 GLN 40 2HE2 GLN 40 12.964 6.612 7.611 316 H SER 41 H SER 41 8.211 0.379 7.038 317 HA SER 41 HA SER 41 6.132 1.999 6.284 318 1HB SER 41 2HB SER 41 4.771 -0.029 6.235 319 2HB SER 41 1HB SER 41 6.401 -0.405 5.704 320 HG SER 41 HG SER 41 6.753 -1.497 7.510 321 H ALA 42 H ALA 42 6.615 0.500 9.450 322 HA ALA 42 HA ALA 42 4.100 1.132 10.600 323 1HB ALA 42 1HB ALA 42 5.762 -0.508 11.503 324 2HB ALA 42 2HB ALA 42 5.206 0.659 12.703 325 3HB ALA 42 3HB ALA 42 6.790 0.859 11.943 326 H ASN 43 H ASN 43 7.183 2.726 10.369 327 HA ASN 43 HA ASN 43 6.685 4.887 12.101 328 1HB ASN 43 2HB ASN 43 8.695 4.045 10.118 329 2HB ASN 43 1HB ASN 43 8.617 5.780 10.438 330 1HD2 ASN 43 1HD2 ASN 43 9.955 2.862 11.550 331 2HD2 ASN 43 2HD2 ASN 43 10.398 3.373 13.107 332 H LEU 44 H LEU 44 6.224 4.323 8.724 333 HA LEU 44 HA LEU 44 5.603 7.005 7.944 334 1HB LEU 44 2HB LEU 44 5.098 4.335 6.591 335 2HB LEU 44 1HB LEU 44 5.111 5.928 5.805 336 HG LEU 44 HG LEU 44 7.437 4.936 7.440 337 1HD1 LEU 44 1HD1 LEU 44 8.457 4.669 5.055 338 2HD1 LEU 44 2HD1 LEU 44 6.776 4.352 4.620 339 3HD1 LEU 44 3HD1 LEU 44 7.580 3.360 5.840 340 1HD2 LEU 44 1HD2 LEU 44 8.581 6.670 6.051 341 2HD2 LEU 44 2HD2 LEU 44 7.393 7.249 7.222 342 3HD2 LEU 44 3HD2 LEU 44 6.974 7.157 5.513 343 H LEU 45 H LEU 45 3.985 4.171 8.886 344 HA LEU 45 HA LEU 45 1.294 5.060 8.494 345 1HB LEU 45 2HB LEU 45 1.611 2.712 8.734 346 2HB LEU 45 1HB LEU 45 2.582 2.910 10.186 347 HG LEU 45 HG LEU 45 0.616 3.685 11.428 348 1HD1 LEU 45 1HD1 LEU 45 -1.646 3.392 10.212 349 2HD1 LEU 45 2HD1 LEU 45 -0.707 3.467 8.723 350 3HD1 LEU 45 3HD1 LEU 45 -0.702 4.832 9.836 351 1HD2 LEU 45 1HD2 LEU 45 -0.673 1.561 11.358 352 2HD2 LEU 45 2HD2 LEU 45 1.070 1.293 11.353 353 3HD2 LEU 45 3HD2 LEU 45 0.151 1.134 9.856 354 H ALA 46 H ALA 46 3.692 5.186 11.001 355 HA ALA 46 HA ALA 46 2.152 6.322 13.067 356 1HB ALA 46 1HB ALA 46 4.194 6.638 14.193 357 2HB ALA 46 2HB ALA 46 5.076 6.874 12.682 358 3HB ALA 46 3HB ALA 46 4.531 5.261 13.145 359 H GLU 47 H GLU 47 4.263 7.615 10.611 360 HA GLU 47 HA GLU 47 4.096 10.338 11.242 361 1HB GLU 47 2HB GLU 47 4.742 8.710 8.820 362 2HB GLU 47 1HB GLU 47 4.626 10.464 8.688 363 1HG GLU 47 2HG GLU 47 6.494 8.878 10.452 364 2HG GLU 47 1HG GLU 47 6.924 9.839 9.042 365 H ALA 48 H ALA 48 2.237 8.175 9.226 366 HA ALA 48 HA ALA 48 0.604 10.133 8.030 367 1HB ALA 48 1HB ALA 48 0.881 7.994 7.026 368 2HB ALA 48 2HB ALA 48 -0.793 8.096 7.538 369 3HB ALA 48 3HB ALA 48 0.362 7.171 8.493 370 H LYS 49 H LYS 49 0.255 7.985 10.828 371 HA LYS 49 HA LYS 49 -2.335 8.781 11.600 372 1HB LYS 49 2HB LYS 49 -0.009 7.710 13.208 373 2HB LYS 49 1HB LYS 49 -1.605 8.000 13.897 374 1HG LYS 49 2HG LYS 49 -1.310 6.322 11.409 375 2HG LYS 49 1HG LYS 49 -1.042 5.608 12.997 376 1HD LYS 49 2HD LYS 49 -3.284 6.161 13.701 377 2HD LYS 49 1HD LYS 49 -3.558 7.133 12.257 378 1HE LYS 49 2HE LYS 49 -4.632 4.917 12.051 379 2HE LYS 49 1HE LYS 49 -3.359 5.117 10.848 380 1HZ LYS 49 1HZ LYS 49 -3.297 2.951 11.998 381 2HZ LYS 49 2HZ LYS 49 -2.996 3.756 13.464 382 3HZ LYS 49 3HZ LYS 49 -1.868 3.843 12.196 383 H LYS 50 H LYS 50 0.841 10.160 11.991 384 HA LYS 50 HA LYS 50 0.044 12.128 13.888 385 1HB LYS 50 2HB LYS 50 2.370 11.228 13.686 386 2HB LYS 50 1HB LYS 50 2.496 12.040 12.132 387 1HG LYS 50 2HG LYS 50 2.140 14.221 13.213 388 2HG LYS 50 1HG LYS 50 1.945 13.423 14.776 389 1HD LYS 50 2HD LYS 50 4.209 14.106 14.777 390 2HD LYS 50 1HD LYS 50 4.278 12.401 14.330 391 1HE LYS 50 2HE LYS 50 4.281 13.131 11.903 392 2HE LYS 50 1HE LYS 50 4.470 14.790 12.472 393 1HZ LYS 50 1HZ LYS 50 6.439 13.890 13.772 394 2HZ LYS 50 2HZ LYS 50 6.627 14.038 12.090 395 3HZ LYS 50 3HZ LYS 50 6.331 12.515 12.783 396 H LEU 51 H LEU 51 0.590 12.013 10.440 397 HA LEU 51 HA LEU 51 0.138 14.768 9.998 398 1HB LEU 51 2HB LEU 51 0.493 12.369 8.292 399 2HB LEU 51 1HB LEU 51 -0.397 13.711 7.580 400 HG LEU 51 HG LEU 51 1.917 13.995 7.039 401 1HD1 LEU 51 1HD1 LEU 51 0.416 15.952 8.078 402 2HD1 LEU 51 2HD1 LEU 51 2.075 16.218 7.543 403 3HD1 LEU 51 3HD1 LEU 51 1.731 15.967 9.254 404 1HD2 LEU 51 1HD2 LEU 51 2.323 13.462 9.969 405 2HD2 LEU 51 2HD2 LEU 51 3.518 14.400 9.072 406 3HD2 LEU 51 3HD2 LEU 51 3.154 12.748 8.587 407 H ASN 52 H ASN 52 -1.895 11.903 9.792 408 HA ASN 52 HA ASN 52 -4.168 13.212 8.780 409 1HB ASN 52 2HB ASN 52 -5.175 11.193 8.887 410 2HB ASN 52 1HB ASN 52 -3.557 10.616 9.224 411 1HD2 ASN 52 1HD2 ASN 52 -6.710 11.192 10.633 412 2HD2 ASN 52 2HD2 ASN 52 -6.375 10.474 12.132 413 H ASP 53 H ASP 53 -3.030 12.451 12.055 414 HA ASP 53 HA ASP 53 -5.252 13.564 13.378 415 1HB ASP 53 2HB ASP 53 -3.714 12.058 14.529 416 2HB ASP 53 1HB ASP 53 -2.420 13.244 14.375 417 H ALA 54 H ALA 54 -2.162 14.889 12.337 418 HA ALA 54 HA ALA 54 -2.394 17.440 13.492 419 1HB ALA 54 1HB ALA 54 -0.264 16.733 12.642 420 2HB ALA 54 2HB ALA 54 -0.780 18.099 11.653 421 3HB ALA 54 3HB ALA 54 -0.934 16.453 11.037 422 H GLN 55 H GLN 55 -3.499 16.046 10.449 423 HA GLN 55 HA GLN 55 -4.646 18.548 9.509 424 1HB GLN 55 2HB GLN 55 -4.538 15.726 8.460 425 2HB GLN 55 1HB GLN 55 -5.504 16.979 7.669 426 1HG GLN 55 2HG GLN 55 -3.573 18.326 7.238 427 2HG GLN 55 1HG GLN 55 -2.567 17.355 8.312 428 1HE2 GLN 55 1HE2 GLN 55 -2.446 14.933 7.610 429 2HE2 GLN 55 2HE2 GLN 55 -2.285 14.650 5.946 430 H ALA 56 H ALA 56 -5.546 16.095 11.621 431 HA ALA 56 HA ALA 56 -8.401 16.164 11.083 432 1HB ALA 56 1HB ALA 56 -8.595 14.669 13.011 433 2HB ALA 56 2HB ALA 56 -6.908 14.953 13.434 434 3HB ALA 56 3HB ALA 56 -7.312 14.093 11.953 435 HA PRO 57 HA PRO 57 -9.608 19.754 13.293 436 1HB PRO 57 2HB PRO 57 -11.651 18.393 14.776 437 2HB PRO 57 1HB PRO 57 -11.821 19.376 13.317 438 1HG PRO 57 2HG PRO 57 -11.642 16.465 13.603 439 2HG PRO 57 1HG PRO 57 -12.462 17.443 12.374 440 1HD PRO 57 2HD PRO 57 -10.213 16.162 11.775 441 2HD PRO 57 1HD PRO 57 -10.504 17.811 11.174 442 H LYS 58 H LYS 58 -9.424 20.693 15.195 443 HA LYS 58 HA LYS 58 -8.735 19.186 17.619 444 1HB LYS 58 2HB LYS 58 -7.044 21.393 16.503 445 2HB LYS 58 1HB LYS 58 -6.810 20.655 18.074 446 1HG LYS 58 2HG LYS 58 -6.722 19.120 15.458 447 2HG LYS 58 1HG LYS 58 -5.294 19.756 16.262 448 1HD LYS 58 2HD LYS 58 -5.796 18.410 18.264 449 2HD LYS 58 1HD LYS 58 -7.249 17.781 17.493 450 1HE LYS 58 2HE LYS 58 -4.649 17.483 16.037 451 2HE LYS 58 1HE LYS 58 -4.958 16.428 17.415 452 1HZ LYS 58 1HZ LYS 58 -6.270 15.209 16.143 453 2HZ LYS 58 2HZ LYS 58 -5.981 16.233 14.818 454 3HZ LYS 58 3HZ LYS 58 -7.282 16.542 15.865 455 1H VAL 1 1HT VAL 1 -14.606 -1.788 -1.796 456 2H VAL 1 2HT VAL 1 -16.019 -2.066 -2.695 457 3H VAL 1 3HT VAL 1 -14.755 -3.200 -2.722 458 HA VAL 1 HA VAL 1 -16.353 -2.490 -0.323 459 HB VAL 1 HB VAL 1 -17.332 -4.771 -0.622 460 1HG1 VAL 1 1HG1 VAL 1 -17.705 -3.045 -3.089 461 2HG1 VAL 1 2HG1 VAL 1 -18.440 -2.696 -1.524 462 3HG1 VAL 1 3HG1 VAL 1 -18.868 -4.170 -2.390 463 1HG2 VAL 1 1HG2 VAL 1 -17.021 -5.941 -2.764 464 2HG2 VAL 1 2HG2 VAL 1 -15.463 -5.726 -1.970 465 3HG2 VAL 1 3HG2 VAL 1 -15.919 -4.681 -3.315 466 H ASP 2 H ASP 2 -16.148 -5.014 0.810 467 HA ASP 2 HA ASP 2 -13.259 -5.523 1.119 468 1HB ASP 2 2HB ASP 2 -14.162 -4.024 2.965 469 2HB ASP 2 1HB ASP 2 -15.166 -5.385 3.463 470 H ASN 3 H ASN 3 -12.767 -7.655 1.875 471 HA ASN 3 HA ASN 3 -14.891 -9.586 2.141 472 1HB ASN 3 2HB ASN 3 -14.256 -9.161 -0.394 473 2HB ASN 3 1HB ASN 3 -12.884 -10.193 0.000 474 1HD2 ASN 3 1HD2 ASN 3 -16.427 -10.238 0.758 475 2HD2 ASN 3 2HD2 ASN 3 -16.629 -11.873 0.351 476 H LYS 4 H LYS 4 -13.774 -11.892 2.168 477 HA LYS 4 HA LYS 4 -12.189 -12.106 4.438 478 1HB LYS 4 2HB LYS 4 -11.542 -14.399 3.339 479 2HB LYS 4 1HB LYS 4 -13.203 -14.105 3.849 480 1HG LYS 4 2HG LYS 4 -13.996 -13.963 1.691 481 2HG LYS 4 1HG LYS 4 -12.506 -13.260 1.072 482 1HD LYS 4 2HD LYS 4 -12.847 -15.555 0.211 483 2HD LYS 4 1HD LYS 4 -11.396 -15.451 1.209 484 1HE LYS 4 2HE LYS 4 -12.400 -16.537 3.015 485 2HE LYS 4 1HE LYS 4 -14.030 -16.216 2.429 486 1HZ LYS 4 1HZ LYS 4 -13.682 -17.749 0.626 487 2HZ LYS 4 2HZ LYS 4 -13.337 -18.535 2.092 488 3HZ LYS 4 3HZ LYS 4 -12.071 -18.003 1.090 489 H PHE 5 H PHE 5 -11.287 -11.836 1.098 490 HA PHE 5 HA PHE 5 -8.571 -12.387 1.232 491 1HB PHE 5 2HB PHE 5 -10.342 -10.872 -0.638 492 2HB PHE 5 1HB PHE 5 -8.596 -10.725 -0.829 493 HD1 PHE 5 1HD PHE 5 -10.605 -13.657 0.343 494 HD2 PHE 5 2HD PHE 5 -8.111 -12.008 -2.749 495 HE1 PHE 5 1HE PHE 5 -10.547 -15.858 -0.795 496 HE2 PHE 5 2HE PHE 5 -8.053 -14.209 -3.877 497 HZ PHE 5 HZ PHE 5 -9.267 -16.138 -2.901 498 H ASN 6 H ASN 6 -9.963 -10.038 3.066 499 HA ASN 6 HA ASN 6 -8.392 -7.736 2.623 500 1HB ASN 6 2HB ASN 6 -8.776 -7.285 5.077 501 2HB ASN 6 1HB ASN 6 -10.243 -7.589 4.152 502 1HD2 ASN 6 1HD2 ASN 6 -7.798 -9.557 5.938 503 2HD2 ASN 6 2HD2 ASN 6 -8.947 -10.563 6.683 504 H LYS 7 H LYS 7 -7.721 -10.732 4.346 505 HA LYS 7 HA LYS 7 -5.191 -9.988 5.435 506 1HB LYS 7 2HB LYS 7 -6.427 -11.942 6.259 507 2HB LYS 7 1HB LYS 7 -6.340 -12.695 4.668 508 1HG LYS 7 2HG LYS 7 -3.827 -12.668 4.862 509 2HG LYS 7 1HG LYS 7 -4.011 -12.082 6.517 510 1HD LYS 7 2HD LYS 7 -5.204 -14.090 7.165 511 2HD LYS 7 1HD LYS 7 -5.268 -14.648 5.493 512 1HE LYS 7 2HE LYS 7 -2.693 -14.204 7.036 513 2HE LYS 7 1HE LYS 7 -3.478 -15.770 6.848 514 1HZ LYS 7 1HZ LYS 7 -3.366 -14.770 4.311 515 2HZ LYS 7 2HZ LYS 7 -2.333 -15.948 4.968 516 3HZ LYS 7 3HZ LYS 7 -1.876 -14.313 4.980 517 H GLU 8 H GLU 8 -6.275 -11.637 2.545 518 HA GLU 8 HA GLU 8 -3.743 -12.057 1.334 519 1HB GLU 8 2HB GLU 8 -6.552 -11.909 0.146 520 2HB GLU 8 1HB GLU 8 -5.127 -12.551 -0.684 521 1HG GLU 8 2HG GLU 8 -6.509 -13.657 1.775 522 2HG GLU 8 1HG GLU 8 -6.290 -14.446 0.217 523 H ARG 9 H ARG 9 -5.988 -9.416 1.449 524 HA ARG 9 HA ARG 9 -5.085 -7.971 -0.823 525 1HB ARG 9 2HB ARG 9 -7.270 -7.538 0.097 526 2HB ARG 9 1HB ARG 9 -6.586 -7.134 1.667 527 1HG ARG 9 2HG ARG 9 -5.452 -5.193 0.717 528 2HG ARG 9 1HG ARG 9 -6.036 -5.614 -0.887 529 1HD ARG 9 2HD ARG 9 -7.471 -3.892 0.010 530 2HD ARG 9 1HD ARG 9 -8.382 -5.389 -0.011 531 HE ARG 9 HE ARG 9 -6.997 -4.628 2.473 532 1HH1 ARG 9 1HH2 ARG 9 -9.513 -6.467 1.433 533 2HH1 ARG 9 2HH2 ARG 9 -10.721 -5.801 2.480 534 1HH2 ARG 9 1HH1 ARG 9 -8.744 -3.152 3.508 535 2HH2 ARG 9 2HH1 ARG 9 -10.287 -3.928 3.650 536 H VAL 10 H VAL 10 -4.342 -7.900 2.640 537 HA VAL 10 HA VAL 10 -2.717 -5.627 2.729 538 HB VAL 10 HB VAL 10 -2.359 -8.110 4.389 539 1HG1 VAL 10 1HG1 VAL 10 -1.524 -5.259 4.677 540 2HG1 VAL 10 2HG1 VAL 10 -0.577 -6.728 4.872 541 3HG1 VAL 10 3HG1 VAL 10 -1.755 -6.271 6.103 542 1HG2 VAL 10 1HG2 VAL 10 -4.428 -7.792 5.211 543 2HG2 VAL 10 2HG2 VAL 10 -4.658 -6.369 4.201 544 3HG2 VAL 10 3HG2 VAL 10 -3.916 -6.212 5.802 545 H ILE 11 H ILE 11 -1.967 -8.973 1.927 546 HA ILE 11 HA ILE 11 0.865 -8.616 1.770 547 HB ILE 11 HB ILE 11 -0.819 -10.732 0.403 548 1HG1 ILE 11 2HG1 ILE 11 -0.155 -10.210 3.251 549 2HG1 ILE 11 1HG1 ILE 11 -1.444 -11.191 2.561 550 1HG2 ILE 11 1HG2 ILE 11 1.589 -10.481 -0.309 551 2HG2 ILE 11 2HG2 ILE 11 1.253 -12.029 0.461 552 3HG2 ILE 11 3HG2 ILE 11 2.070 -10.753 1.368 553 1HD1 ILE 11 1HD1 ILE 11 -0.048 -12.752 3.673 554 2HD1 ILE 11 2HD1 ILE 11 1.426 -11.977 3.087 555 3HD1 ILE 11 3HD1 ILE 11 0.408 -12.900 1.977 556 H ALA 12 H ALA 12 -1.806 -8.370 -0.600 557 HA ALA 12 HA ALA 12 -0.184 -8.074 -2.928 558 1HB ALA 12 1HB ALA 12 -2.251 -6.774 -3.732 559 2HB ALA 12 2HB ALA 12 -2.969 -7.195 -2.178 560 3HB ALA 12 3HB ALA 12 -2.500 -8.466 -3.300 561 H ILE 13 H ILE 13 -1.618 -5.747 -0.676 562 HA ILE 13 HA ILE 13 -0.573 -3.428 -1.878 563 HB ILE 13 HB ILE 13 -1.049 -3.962 1.082 564 1HG1 ILE 13 2HG1 ILE 13 -2.947 -2.674 -0.860 565 2HG1 ILE 13 1HG1 ILE 13 -2.959 -4.412 -0.601 566 1HG2 ILE 13 1HG2 ILE 13 0.116 -1.858 0.808 567 2HG2 ILE 13 2HG2 ILE 13 -1.591 -1.500 1.081 568 3HG2 ILE 13 3HG2 ILE 13 -0.912 -1.414 -0.547 569 1HD1 ILE 13 1HD1 ILE 13 -3.321 -2.304 1.522 570 2HD1 ILE 13 2HD1 ILE 13 -3.326 -4.037 1.808 571 3HD1 ILE 13 3HD1 ILE 13 -4.605 -3.301 0.845 572 H GLY 14 H GLY 14 0.695 -5.715 0.478 573 1HA GLY 14 2HA GLY 14 3.178 -4.484 0.988 574 2HA GLY 14 1HA GLY 14 2.829 -6.200 1.144 575 H GLU 15 H GLU 15 2.184 -6.760 -1.575 576 HA GLU 15 HA GLU 15 4.810 -7.156 -2.610 577 1HB GLU 15 2HB GLU 15 2.710 -8.598 -2.900 578 2HB GLU 15 1HB GLU 15 2.238 -7.463 -4.139 579 1HG GLU 15 2HG GLU 15 3.796 -8.234 -5.634 580 2HG GLU 15 1HG GLU 15 5.010 -8.436 -4.365 581 H ILE 16 H ILE 16 2.077 -5.089 -3.478 582 HA ILE 16 HA ILE 16 3.204 -3.899 -5.786 583 HB ILE 16 HB ILE 16 1.546 -2.318 -3.827 584 1HG1 ILE 16 2HG1 ILE 16 0.920 -4.933 -4.867 585 2HG1 ILE 16 1HG1 ILE 16 0.004 -3.927 -3.762 586 1HG2 ILE 16 1HG2 ILE 16 0.522 -1.438 -5.907 587 2HG2 ILE 16 2HG2 ILE 16 1.577 -2.479 -6.853 588 3HG2 ILE 16 3HG2 ILE 16 2.263 -1.187 -5.879 589 1HD1 ILE 16 1HD1 ILE 16 -1.317 -4.479 -5.648 590 2HD1 ILE 16 2HD1 ILE 16 -0.074 -3.876 -6.747 591 3HD1 ILE 16 3HD1 ILE 16 -0.933 -2.758 -5.680 592 H MET 17 H MET 17 3.129 -2.817 -2.461 593 HA MET 17 HA MET 17 4.768 -0.554 -2.662 594 1HB MET 17 2HB MET 17 4.302 -2.369 -0.311 595 2HB MET 17 1HB MET 17 4.946 -0.723 -0.255 596 1HG MET 17 2HG MET 17 2.255 -1.396 -1.468 597 2HG MET 17 1HG MET 17 2.454 -0.864 0.194 598 1HE MET 17 1HE MET 17 3.413 2.383 0.352 599 2HE MET 17 2HE MET 17 4.876 1.769 -0.431 600 3HE MET 17 3HE MET 17 4.003 0.744 0.729 601 H ARG 18 H ARG 18 5.597 -3.972 -2.514 602 HA ARG 18 HA ARG 18 8.356 -3.619 -1.822 603 1HB ARG 18 2HB ARG 18 6.861 -5.866 -3.093 604 2HB ARG 18 1HB ARG 18 8.585 -5.933 -2.846 605 1HG ARG 18 2HG ARG 18 7.043 -5.136 -0.465 606 2HG ARG 18 1HG ARG 18 6.705 -6.763 -1.040 607 1HD ARG 18 2HD ARG 18 9.430 -6.731 -1.172 608 2HD ARG 18 1HD ARG 18 9.151 -5.667 0.205 609 HE ARG 18 HE ARG 18 8.096 -7.488 1.344 610 1HH1 ARG 18 1HH1 ARG 18 10.666 -8.576 -0.177 611 2HH1 ARG 18 2HH1 ARG 18 10.091 -10.154 -0.599 612 1HH2 ARG 18 1HH2 ARG 18 6.783 -9.424 0.108 613 2HH2 ARG 18 2HH2 ARG 18 7.895 -10.632 -0.435 614 H LEU 19 H LEU 19 6.518 -3.864 -4.826 615 HA LEU 19 HA LEU 19 8.585 -4.109 -6.680 616 1HB LEU 19 2HB LEU 19 5.971 -2.649 -6.974 617 2HB LEU 19 1HB LEU 19 7.018 -3.080 -8.293 618 HG LEU 19 HG LEU 19 5.840 -5.101 -6.383 619 1HD1 LEU 19 1HD1 LEU 19 4.092 -3.859 -7.648 620 2HD1 LEU 19 2HD1 LEU 19 4.174 -5.555 -8.095 621 3HD1 LEU 19 3HD1 LEU 19 4.885 -4.328 -9.149 622 1HD2 LEU 19 1HD2 LEU 19 7.887 -5.295 -8.246 623 2HD2 LEU 19 2HD2 LEU 19 6.479 -5.922 -9.100 624 3HD2 LEU 19 3HD2 LEU 19 6.973 -6.635 -7.567 625 HA PRO 20 HA PRO 20 10.369 -0.043 -6.002 626 1HB PRO 20 2HB PRO 20 12.663 -0.920 -7.509 627 2HB PRO 20 1HB PRO 20 12.522 -0.668 -5.767 628 1HG PRO 20 2HG PRO 20 12.886 -3.089 -6.980 629 2HG PRO 20 1HG PRO 20 12.195 -2.857 -5.366 630 1HD PRO 20 2HD PRO 20 10.801 -3.391 -7.957 631 2HD PRO 20 1HD PRO 20 10.420 -3.969 -6.318 632 H ASN 21 H ASN 21 9.365 -1.497 -8.935 633 HA ASN 21 HA ASN 21 10.336 0.751 -10.568 634 1HB ASN 21 2HB ASN 21 8.900 -1.744 -11.459 635 2HB ASN 21 1HB ASN 21 9.669 -0.552 -12.488 636 1HD2 ASN 21 1HD2 ASN 21 10.305 -3.488 -12.114 637 2HD2 ASN 21 2HD2 ASN 21 11.949 -3.523 -11.694 638 H LEU 22 H LEU 22 7.455 -0.295 -8.942 639 HA LEU 22 HA LEU 22 5.581 0.937 -10.710 640 1HB LEU 22 2HB LEU 22 5.306 0.269 -7.788 641 2HB LEU 22 1HB LEU 22 3.995 0.837 -8.799 642 HG LEU 22 HG LEU 22 5.511 -1.761 -8.972 643 1HD1 LEU 22 1HD1 LEU 22 3.094 -2.600 -9.015 644 2HD1 LEU 22 2HD1 LEU 22 2.616 -0.952 -8.612 645 3HD1 LEU 22 3HD1 LEU 22 3.626 -1.872 -7.498 646 1HD2 LEU 22 1HD2 LEU 22 3.909 -0.289 -11.013 647 2HD2 LEU 22 2HD2 LEU 22 3.884 -2.039 -10.987 648 3HD2 LEU 22 3HD2 LEU 22 5.414 -1.194 -11.217 649 H ASN 23 H ASN 23 4.460 2.796 -10.557 650 HA ASN 23 HA ASN 23 5.903 5.091 -9.562 651 1HB ASN 23 2HB ASN 23 4.918 5.630 -11.559 652 2HB ASN 23 1HB ASN 23 3.636 4.486 -11.365 653 1HD2 ASN 23 1HD2 ASN 23 4.654 7.431 -9.597 654 2HD2 ASN 23 2HD2 ASN 23 3.113 8.133 -9.611 655 H SER 24 H SER 24 4.930 6.649 -8.075 656 HA SER 24 HA SER 24 3.863 5.506 -5.737 657 1HB SER 24 2HB SER 24 3.509 7.797 -4.992 658 2HB SER 24 1HB SER 24 5.034 7.712 -5.869 659 HG SER 24 HG SER 24 3.681 8.330 -7.757 660 H LEU 25 H LEU 25 2.340 7.233 -8.402 661 HA LEU 25 HA LEU 25 -0.310 7.061 -7.415 662 1HB LEU 25 2HB LEU 25 1.006 8.260 -9.654 663 2HB LEU 25 1HB LEU 25 -0.386 7.374 -10.209 664 HG LEU 25 HG LEU 25 -0.389 9.400 -8.011 665 1HD1 LEU 25 1HD1 LEU 25 -1.698 10.774 -9.599 666 2HD1 LEU 25 2HD1 LEU 25 -1.480 9.531 -10.832 667 3HD1 LEU 25 3HD1 LEU 25 -0.087 10.428 -10.227 668 1HD2 LEU 25 1HD2 LEU 25 -2.985 8.980 -8.774 669 2HD2 LEU 25 2HD2 LEU 25 -2.206 8.195 -7.399 670 3HD2 LEU 25 3HD2 LEU 25 -2.282 7.373 -8.956 671 H GLN 26 H GLN 26 1.640 5.008 -9.555 672 HA GLN 26 HA GLN 26 -0.473 3.417 -10.546 673 1HB GLN 26 2HB GLN 26 2.472 2.986 -10.163 674 2HB GLN 26 1HB GLN 26 1.439 1.680 -10.738 675 1HG GLN 26 2HG GLN 26 0.708 3.090 -12.630 676 2HG GLN 26 1HG GLN 26 1.744 4.403 -12.051 677 1HE2 GLN 26 1HE2 GLN 26 3.411 1.639 -11.284 678 2HE2 GLN 26 2HE2 GLN 26 4.331 1.475 -12.697 679 H VAL 27 H VAL 27 1.661 3.156 -7.797 680 HA VAL 27 HA VAL 27 0.761 0.713 -6.769 681 HB VAL 27 HB VAL 27 2.180 3.091 -5.576 682 1HG1 VAL 27 1HG1 VAL 27 2.750 1.547 -3.681 683 2HG1 VAL 27 2HG1 VAL 27 1.507 0.438 -4.269 684 3HG1 VAL 27 3HG1 VAL 27 1.060 2.048 -3.703 685 1HG2 VAL 27 1HG2 VAL 27 3.865 2.099 -6.709 686 2HG2 VAL 27 2HG2 VAL 27 2.871 0.689 -7.073 687 3HG2 VAL 27 3HG2 VAL 27 3.756 0.775 -5.550 688 H VAL 28 H VAL 28 -0.168 4.048 -6.176 689 HA VAL 28 HA VAL 28 -2.161 3.515 -4.249 690 HB VAL 28 HB VAL 28 -1.855 5.813 -6.204 691 1HG1 VAL 28 1HG1 VAL 28 -4.057 5.127 -4.660 692 2HG1 VAL 28 2HG1 VAL 28 -3.731 6.716 -5.340 693 3HG1 VAL 28 3HG1 VAL 28 -3.234 6.341 -3.688 694 1HG2 VAL 28 1HG2 VAL 28 -1.296 6.283 -3.356 695 2HG2 VAL 28 2HG2 VAL 28 -0.335 6.703 -4.775 696 3HG2 VAL 28 3HG2 VAL 28 -0.209 5.092 -4.072 697 H ALA 29 H ALA 29 -2.067 3.546 -7.765 698 HA ALA 29 HA ALA 29 -4.823 3.465 -8.344 699 1HB ALA 29 1HB ALA 29 -4.055 3.346 -10.474 700 2HB ALA 29 2HB ALA 29 -3.194 1.836 -10.152 701 3HB ALA 29 3HB ALA 29 -2.426 3.385 -9.801 702 H PHE 30 H PHE 30 -2.406 0.967 -7.780 703 HA PHE 30 HA PHE 30 -4.155 -1.213 -8.098 704 1HB PHE 30 2HB PHE 30 -1.426 -0.947 -6.793 705 2HB PHE 30 1HB PHE 30 -2.241 -2.474 -7.119 706 HD1 PHE 30 1HD PHE 30 -3.424 -2.165 -9.798 707 HD2 PHE 30 2HD PHE 30 0.376 -0.705 -8.330 708 HE1 PHE 30 1HE PHE 30 -2.564 -2.012 -12.085 709 HE2 PHE 30 2HE PHE 30 1.195 -0.586 -10.628 710 HZ PHE 30 HZ PHE 30 -0.263 -1.242 -12.519 711 H ILE 31 H ILE 31 -2.929 0.565 -5.239 712 HA ILE 31 HA ILE 31 -4.146 -1.049 -3.269 713 HB ILE 31 HB ILE 31 -3.480 1.911 -3.252 714 1HG1 ILE 31 2HG1 ILE 31 -2.020 -0.357 -1.879 715 2HG1 ILE 31 1HG1 ILE 31 -1.623 0.120 -3.522 716 1HG2 ILE 31 1HG2 ILE 31 -4.333 0.036 -1.035 717 2HG2 ILE 31 2HG2 ILE 31 -5.111 1.539 -1.517 718 3HG2 ILE 31 3HG2 ILE 31 -3.533 1.575 -0.732 719 1HD1 ILE 31 1HD1 ILE 31 -0.140 1.302 -1.964 720 2HD1 ILE 31 2HD1 ILE 31 -1.540 1.899 -1.063 721 3HD1 ILE 31 3HD1 ILE 31 -1.252 2.451 -2.716 722 H ASN 32 H ASN 32 -5.285 1.799 -5.015 723 HA ASN 32 HA ASN 32 -7.794 2.137 -3.792 724 1HB ASN 32 2HB ASN 32 -6.667 2.832 -6.487 725 2HB ASN 32 1HB ASN 32 -8.401 2.982 -6.241 726 1HD2 ASN 32 1HD2 ASN 32 -5.760 4.870 -6.267 727 2HD2 ASN 32 2HD2 ASN 32 -6.164 5.988 -5.056 728 H SER 33 H SER 33 -6.768 -0.164 -6.305 729 HA SER 33 HA SER 33 -9.425 -0.893 -7.018 730 1HB SER 33 2HB SER 33 -6.726 -1.674 -7.769 731 2HB SER 33 1HB SER 33 -7.961 -2.918 -7.962 732 HG SER 33 HG SER 33 -8.468 -0.296 -8.824 733 H LEU 34 H LEU 34 -7.092 -1.969 -4.662 734 HA LEU 34 HA LEU 34 -8.340 -4.463 -4.064 735 1HB LEU 34 2HB LEU 34 -6.995 -2.794 -1.968 736 2HB LEU 34 1HB LEU 34 -7.011 -4.532 -2.137 737 HG LEU 34 HG LEU 34 -5.523 -2.577 -3.892 738 1HD1 LEU 34 1HD1 LEU 34 -4.697 -3.399 -1.522 739 2HD1 LEU 34 2HD1 LEU 34 -3.583 -3.227 -2.883 740 3HD1 LEU 34 3HD1 LEU 34 -4.208 -4.828 -2.442 741 1HD2 LEU 34 1HD2 LEU 34 -6.332 -5.362 -4.236 742 2HD2 LEU 34 2HD2 LEU 34 -4.640 -5.050 -4.598 743 3HD2 LEU 34 3HD2 LEU 34 -5.908 -4.163 -5.433 744 H ARG 35 H ARG 35 -8.620 -1.155 -2.961 745 HA ARG 35 HA ARG 35 -10.674 -1.473 -1.010 746 1HB ARG 35 2HB ARG 35 -9.913 0.866 -2.770 747 2HB ARG 35 1HB ARG 35 -11.246 0.956 -1.626 748 1HG ARG 35 2HG ARG 35 -9.615 0.209 0.160 749 2HG ARG 35 1HG ARG 35 -8.329 0.446 -1.025 750 1HD ARG 35 2HD ARG 35 -8.630 2.743 -1.072 751 2HD ARG 35 1HD ARG 35 -10.281 2.650 -0.465 752 HE ARG 35 HE ARG 35 -8.077 1.836 1.330 753 1HH1 ARG 35 1HH1 ARG 35 -8.196 4.845 0.950 754 2HH1 ARG 35 2HH1 ARG 35 -9.258 5.325 2.229 755 1HH2 ARG 35 1HH2 ARG 35 -10.497 2.136 2.757 756 2HH2 ARG 35 2HH2 ARG 35 -10.561 3.795 3.250 757 H ASP 36 H ASP 36 -10.728 -0.913 -4.488 758 HA ASP 36 HA ASP 36 -13.514 -0.649 -4.829 759 1HB ASP 36 2HB ASP 36 -11.342 -1.656 -6.699 760 2HB ASP 36 1HB ASP 36 -13.000 -1.338 -7.204 761 H ASP 37 H ASP 37 -11.365 -3.423 -4.698 762 HA ASP 37 HA ASP 37 -13.355 -5.228 -3.796 763 1HB ASP 37 2HB ASP 37 -12.998 -5.057 -6.718 764 2HB ASP 37 1HB ASP 37 -12.815 -6.683 -6.060 765 HA PRO 38 HA PRO 38 -9.273 -6.731 -2.717 766 1HB PRO 38 2HB PRO 38 -10.527 -8.379 -0.718 767 2HB PRO 38 1HB PRO 38 -9.563 -6.922 -0.489 768 1HG PRO 38 2HG PRO 38 -12.265 -7.175 -0.010 769 2HG PRO 38 1HG PRO 38 -11.378 -5.655 -0.176 770 1HD PRO 38 2HD PRO 38 -13.176 -7.001 -2.112 771 2HD PRO 38 1HD PRO 38 -12.760 -5.281 -1.946 772 H SER 39 H SER 39 -11.998 -8.329 -3.930 773 HA SER 39 HA SER 39 -11.282 -11.043 -3.779 774 1HB SER 39 2HB SER 39 -12.850 -9.671 -5.979 775 2HB SER 39 1HB SER 39 -12.901 -11.379 -5.552 776 HG SER 39 HG SER 39 -14.140 -9.224 -4.400 777 H GLN 40 H GLN 40 -10.622 -8.524 -6.194 778 HA GLN 40 HA GLN 40 -8.764 -10.345 -7.506 779 1HB GLN 40 2HB GLN 40 -9.224 -7.819 -8.894 780 2HB GLN 40 1HB GLN 40 -9.277 -9.451 -9.493 781 1HG GLN 40 2HG GLN 40 -11.504 -9.009 -9.731 782 2HG GLN 40 1HG GLN 40 -11.565 -9.477 -8.038 783 1HE2 GLN 40 1HE2 GLN 40 -10.038 -6.868 -7.345 784 2HE2 GLN 40 2HE2 GLN 40 -11.238 -5.671 -7.421 785 H SER 41 H SER 41 -8.228 -8.876 -4.973 786 HA SER 41 HA SER 41 -6.614 -6.657 -5.422 787 1HB SER 41 2HB SER 41 -7.303 -7.367 -3.156 788 2HB SER 41 1HB SER 41 -6.358 -8.844 -3.318 789 HG SER 41 HG SER 41 -4.685 -6.946 -3.848 790 H ALA 42 H ALA 42 -6.060 -10.009 -5.725 791 HA ALA 42 HA ALA 42 -3.233 -9.986 -6.086 792 1HB ALA 42 1HB ALA 42 -5.190 -12.047 -7.096 793 2HB ALA 42 2HB ALA 42 -4.711 -11.944 -5.399 794 3HB ALA 42 3HB ALA 42 -3.500 -12.286 -6.637 795 H ASN 43 H ASN 43 -6.016 -9.512 -8.123 796 HA ASN 43 HA ASN 43 -4.867 -10.036 -10.648 797 1HB ASN 43 2HB ASN 43 -7.296 -9.914 -9.943 798 2HB ASN 43 1HB ASN 43 -7.120 -8.168 -10.130 799 1HD2 ASN 43 1HD2 ASN 43 -6.134 -7.507 -12.369 800 2HD2 ASN 43 2HD2 ASN 43 -6.659 -8.395 -13.717 801 H LEU 44 H LEU 44 -5.670 -6.955 -9.045 802 HA LEU 44 HA LEU 44 -4.276 -5.540 -11.048 803 1HB LEU 44 2HB LEU 44 -4.913 -3.506 -9.983 804 2HB LEU 44 1HB LEU 44 -6.287 -4.578 -10.036 805 HG LEU 44 HG LEU 44 -6.016 -3.298 -7.958 806 1HD1 LEU 44 1HD1 LEU 44 -7.089 -5.676 -8.318 807 2HD1 LEU 44 2HD1 LEU 44 -7.055 -4.867 -6.748 808 3HD1 LEU 44 3HD1 LEU 44 -5.845 -6.109 -7.148 809 1HD2 LEU 44 1HD2 LEU 44 -3.449 -3.815 -7.985 810 2HD2 LEU 44 2HD2 LEU 44 -3.988 -5.152 -6.963 811 3HD2 LEU 44 3HD2 LEU 44 -4.341 -3.489 -6.514 812 H LEU 45 H LEU 45 -3.576 -6.995 -8.056 813 HA LEU 45 HA LEU 45 -1.084 -5.717 -7.496 814 1HB LEU 45 2HB LEU 45 -1.813 -7.067 -5.708 815 2HB LEU 45 1HB LEU 45 -2.368 -8.339 -6.783 816 HG LEU 45 HG LEU 45 -0.032 -8.920 -7.324 817 1HD1 LEU 45 1HD1 LEU 45 1.808 -7.883 -6.155 818 2HD1 LEU 45 2HD1 LEU 45 0.699 -6.897 -5.204 819 3HD1 LEU 45 3HD1 LEU 45 0.869 -6.613 -6.933 820 1HD2 LEU 45 1HD2 LEU 45 -1.324 -9.245 -4.769 821 2HD2 LEU 45 2HD2 LEU 45 0.419 -9.170 -4.540 822 3HD2 LEU 45 3HD2 LEU 45 -0.274 -10.365 -5.631 823 H ALA 46 H ALA 46 -2.366 -8.257 -9.458 824 HA ALA 46 HA ALA 46 0.066 -9.314 -10.491 825 1HB ALA 46 1HB ALA 46 -2.048 -9.453 -12.448 826 2HB ALA 46 2HB ALA 46 -2.735 -9.784 -10.861 827 3HB ALA 46 3HB ALA 46 -1.391 -10.756 -11.460 828 H GLU 47 H GLU 47 -2.210 -6.823 -11.497 829 HA GLU 47 HA GLU 47 -0.978 -5.975 -13.867 830 1HB GLU 47 2HB GLU 47 -2.608 -4.415 -11.844 831 2HB GLU 47 1HB GLU 47 -2.127 -3.798 -13.416 832 1HG GLU 47 2HG GLU 47 -3.881 -6.194 -12.878 833 2HG GLU 47 1HG GLU 47 -4.414 -4.622 -13.453 834 H ALA 48 H ALA 48 -0.410 -5.302 -10.477 835 HA ALA 48 HA ALA 48 1.340 -3.081 -10.802 836 1HB ALA 48 1HB ALA 48 1.815 -4.628 -8.436 837 2HB ALA 48 2HB ALA 48 0.079 -4.530 -8.743 838 3HB ALA 48 3HB ALA 48 1.034 -3.056 -8.594 839 H LYS 49 H LYS 49 1.829 -6.477 -10.024 840 HA LYS 49 HA LYS 49 4.641 -6.407 -9.952 841 1HB LYS 49 2HB LYS 49 2.614 -8.560 -10.437 842 2HB LYS 49 1HB LYS 49 4.340 -8.916 -10.461 843 1HG LYS 49 2HG LYS 49 4.482 -7.881 -8.168 844 2HG LYS 49 1HG LYS 49 2.720 -7.790 -8.171 845 1HD LYS 49 2HD LYS 49 4.271 -10.361 -8.612 846 2HD LYS 49 1HD LYS 49 3.649 -9.856 -7.049 847 1HE LYS 49 2HE LYS 49 1.438 -9.591 -8.711 848 2HE LYS 49 1HE LYS 49 2.227 -11.045 -9.317 849 1HZ LYS 49 1HZ LYS 49 0.574 -11.295 -7.417 850 2HZ LYS 49 2HZ LYS 49 1.783 -10.629 -6.427 851 3HZ LYS 49 3HZ LYS 49 2.068 -12.082 -7.259 852 H LYS 50 H LYS 50 2.315 -6.786 -12.508 853 HA LYS 50 HA LYS 50 4.139 -7.285 -14.644 854 1HB LYS 50 2HB LYS 50 1.272 -6.410 -14.519 855 2HB LYS 50 1HB LYS 50 2.147 -6.518 -16.045 856 1HG LYS 50 2HG LYS 50 2.757 -8.919 -15.363 857 2HG LYS 50 1HG LYS 50 1.542 -8.766 -14.103 858 1HD LYS 50 2HD LYS 50 1.018 -8.353 -17.064 859 2HD LYS 50 1HD LYS 50 0.651 -9.830 -16.177 860 1HE LYS 50 2HE LYS 50 -1.403 -8.816 -15.981 861 2HE LYS 50 1HE LYS 50 -0.626 -8.070 -14.585 862 1HZ LYS 50 1HZ LYS 50 -0.307 -6.803 -17.210 863 2HZ LYS 50 2HZ LYS 50 -0.361 -6.094 -15.667 864 3HZ LYS 50 3HZ LYS 50 -1.792 -6.627 -16.410 865 H LEU 51 H LEU 51 2.631 -4.402 -13.255 866 HA LEU 51 HA LEU 51 3.565 -2.618 -15.279 867 1HB LEU 51 2HB LEU 51 2.143 -2.392 -12.740 868 2HB LEU 51 1HB LEU 51 3.323 -1.105 -12.950 869 HG LEU 51 HG LEU 51 1.092 -0.547 -13.889 870 1HD1 LEU 51 1HD1 LEU 51 2.260 -0.248 -16.355 871 2HD1 LEU 51 2HD1 LEU 51 3.672 -0.513 -15.328 872 3HD1 LEU 51 3HD1 LEU 51 2.548 0.809 -14.969 873 1HD2 LEU 51 1HD2 LEU 51 0.049 -2.314 -14.895 874 2HD2 LEU 51 2HD2 LEU 51 1.566 -3.127 -15.281 875 3HD2 LEU 51 3HD2 LEU 51 0.972 -1.830 -16.317 876 H ASN 52 H ASN 52 4.733 -3.710 -12.206 877 HA ASN 52 HA ASN 52 7.052 -2.080 -12.057 878 1HB ASN 52 2HB ASN 52 6.341 -3.277 -10.099 879 2HB ASN 52 1HB ASN 52 6.420 -4.818 -10.934 880 1HD2 ASN 52 1HD2 ASN 52 8.621 -5.535 -11.626 881 2HD2 ASN 52 2HD2 ASN 52 9.972 -5.051 -10.721 882 H ASP 53 H ASP 53 6.217 -5.150 -13.474 883 HA ASP 53 HA ASP 53 8.817 -5.799 -14.480 884 1HB ASP 53 2HB ASP 53 6.049 -6.688 -15.327 885 2HB ASP 53 1HB ASP 53 7.528 -7.338 -16.018 886 H ALA 54 H ALA 54 6.080 -3.968 -15.634 887 HA ALA 54 HA ALA 54 6.895 -3.579 -18.313 888 1HB ALA 54 1HB ALA 54 5.260 -1.581 -16.798 889 2HB ALA 54 2HB ALA 54 4.604 -3.182 -17.142 890 3HB ALA 54 3HB ALA 54 5.092 -2.125 -18.467 891 H GLN 55 H GLN 55 7.449 -1.794 -15.311 892 HA GLN 55 HA GLN 55 9.019 0.256 -16.677 893 1HB GLN 55 2HB GLN 55 8.215 -0.137 -13.835 894 2HB GLN 55 1HB GLN 55 9.149 1.231 -14.403 895 1HG GLN 55 2HG GLN 55 7.350 2.153 -15.530 896 2HG GLN 55 1HG GLN 55 6.585 0.587 -15.796 897 1HE2 GLN 55 1HE2 GLN 55 6.186 -0.524 -13.416 898 2HE2 GLN 55 2HE2 GLN 55 5.323 0.485 -12.365 899 H ALA 56 H ALA 56 9.585 -2.799 -15.502 900 HA ALA 56 HA ALA 56 12.034 -2.452 -14.087 901 1HB ALA 56 1HB ALA 56 12.376 -4.867 -14.511 902 2HB ALA 56 2HB ALA 56 10.997 -4.855 -15.606 903 3HB ALA 56 3HB ALA 56 10.761 -4.531 -13.891 904 HA PRO 57 HA PRO 57 14.914 -1.998 -17.328 905 1HB PRO 57 2HB PRO 57 16.987 -3.514 -16.015 906 2HB PRO 57 1HB PRO 57 16.741 -1.762 -16.009 907 1HG PRO 57 2HG PRO 57 16.476 -3.372 -13.814 908 2HG PRO 57 1HG PRO 57 15.702 -1.789 -14.005 909 1HD PRO 57 2HD PRO 57 14.540 -4.522 -14.437 910 2HD PRO 57 1HD PRO 57 13.810 -3.091 -13.667 911 H LYS 58 H LYS 58 16.785 -3.346 -18.490 912 HA LYS 58 HA LYS 58 15.498 -5.501 -19.853 913 1HB LYS 58 2HB LYS 58 18.339 -4.582 -20.043 914 2HB LYS 58 1HB LYS 58 17.495 -5.579 -21.208 915 1HG LYS 58 2HG LYS 58 16.723 -2.734 -20.471 916 2HG LYS 58 1HG LYS 58 17.614 -3.193 -21.920 917 1HD LYS 58 2HD LYS 58 15.670 -4.687 -22.546 918 2HD LYS 58 1HD LYS 58 14.775 -3.988 -21.196 919 1HE LYS 58 2HE LYS 58 15.224 -1.706 -22.213 920 2HE LYS 58 1HE LYS 58 15.841 -2.545 -23.638 921 1HZ LYS 58 1HZ LYS 58 13.121 -2.862 -22.485 922 2HZ LYS 58 2HZ LYS 58 13.716 -3.667 -23.858 923 3HZ LYS 58 3HZ LYS 58 13.504 -1.982 -23.883 Start of MODEL 30 1 1H VAL 1 1HT VAL 1 10.960 -7.690 3.774 2 2H VAL 1 2HT VAL 1 12.646 -7.533 3.907 3 3H VAL 1 3HT VAL 1 11.813 -8.641 4.890 4 HA VAL 1 HA VAL 1 11.850 -8.821 1.937 5 HB VAL 1 HB VAL 1 13.549 -10.662 2.310 6 1HG1 VAL 1 1HG1 VAL 1 14.441 -7.883 3.150 7 2HG1 VAL 1 2HG1 VAL 1 14.176 -8.399 1.483 8 3HG1 VAL 1 3HG1 VAL 1 15.455 -9.143 2.441 9 1HG2 VAL 1 1HG2 VAL 1 13.754 -9.361 5.052 10 2HG2 VAL 1 2HG2 VAL 1 14.859 -10.577 4.410 11 3HG2 VAL 1 3HG2 VAL 1 13.177 -10.996 4.725 12 H ASP 2 H ASP 2 11.187 -10.165 5.126 13 HA ASP 2 HA ASP 2 10.074 -12.641 4.259 14 1HB ASP 2 2HB ASP 2 9.042 -12.623 6.585 15 2HB ASP 2 1HB ASP 2 10.798 -12.507 6.518 16 H ASN 3 H ASN 3 7.814 -13.288 4.409 17 HA ASN 3 HA ASN 3 6.087 -11.666 2.903 18 1HB ASN 3 2HB ASN 3 5.353 -13.963 4.737 19 2HB ASN 3 1HB ASN 3 4.322 -13.276 3.479 20 1HD2 ASN 3 1HD2 ASN 3 5.898 -16.003 3.882 21 2HD2 ASN 3 2HD2 ASN 3 6.597 -16.238 2.353 22 H LYS 4 H LYS 4 6.414 -12.044 6.416 23 HA LYS 4 HA LYS 4 4.060 -10.670 7.169 24 1HB LYS 4 2HB LYS 4 5.585 -12.009 8.697 25 2HB LYS 4 1HB LYS 4 6.657 -10.609 8.711 26 1HG LYS 4 2HG LYS 4 4.733 -9.201 9.474 27 2HG LYS 4 1HG LYS 4 3.757 -10.662 9.582 28 1HD LYS 4 2HD LYS 4 5.386 -11.607 11.203 29 2HD LYS 4 1HD LYS 4 6.302 -10.101 11.132 30 1HE LYS 4 2HE LYS 4 3.362 -10.081 11.789 31 2HE LYS 4 1HE LYS 4 4.562 -10.390 13.046 32 1HZ LYS 4 1HZ LYS 4 5.617 -8.257 11.847 33 2HZ LYS 4 2HZ LYS 4 4.572 -8.160 13.183 34 3HZ LYS 4 3HZ LYS 4 3.968 -7.939 11.611 35 H PHE 5 H PHE 5 7.336 -9.555 6.431 36 HA PHE 5 HA PHE 5 7.111 -6.846 7.068 37 1HB PHE 5 2HB PHE 5 8.996 -8.489 5.831 38 2HB PHE 5 1HB PHE 5 8.573 -7.312 4.603 39 HD1 PHE 5 1HD PHE 5 9.692 -7.668 8.129 40 HD2 PHE 5 2HD PHE 5 9.398 -5.071 4.691 41 HE1 PHE 5 1HE PHE 5 11.156 -6.018 9.252 42 HE2 PHE 5 2HE PHE 5 10.877 -3.436 5.837 43 HZ PHE 5 HZ PHE 5 11.746 -3.907 8.108 44 H ASN 6 H ASN 6 6.463 -8.594 4.063 45 HA ASN 6 HA ASN 6 5.604 -6.384 2.529 46 1HB ASN 6 2HB ASN 6 6.220 -8.405 1.419 47 2HB ASN 6 1HB ASN 6 5.060 -9.345 2.345 48 1HD2 ASN 6 1HD2 ASN 6 2.779 -9.138 1.773 49 2HD2 ASN 6 2HD2 ASN 6 2.318 -8.470 0.282 50 H LYS 7 H LYS 7 3.871 -8.774 4.503 51 HA LYS 7 HA LYS 7 1.250 -7.910 3.993 52 1HB LYS 7 2HB LYS 7 1.985 -10.025 5.219 53 2HB LYS 7 1HB LYS 7 2.256 -9.009 6.634 54 1HG LYS 7 2HG LYS 7 -0.064 -8.332 6.680 55 2HG LYS 7 1HG LYS 7 -0.376 -9.126 5.139 56 1HD LYS 7 2HD LYS 7 0.775 -10.938 7.149 57 2HD LYS 7 1HD LYS 7 -0.769 -10.250 7.647 58 1HE LYS 7 2HE LYS 7 -1.626 -10.921 5.295 59 2HE LYS 7 1HE LYS 7 -0.166 -11.906 5.192 60 1HZ LYS 7 1HZ LYS 7 -1.757 -13.327 6.073 61 2HZ LYS 7 2HZ LYS 7 -2.413 -12.136 7.094 62 3HZ LYS 7 3HZ LYS 7 -0.893 -12.815 7.441 63 H GLU 8 H GLU 8 3.762 -6.908 6.225 64 HA GLU 8 HA GLU 8 2.227 -4.997 7.663 65 1HB GLU 8 2HB GLU 8 5.173 -5.613 7.423 66 2HB GLU 8 1HB GLU 8 4.592 -4.229 8.368 67 1HG GLU 8 2HG GLU 8 3.270 -5.674 9.797 68 2HG GLU 8 1HG GLU 8 3.622 -7.074 8.791 69 H LEU 9 H LEU 9 4.554 -4.787 5.086 70 HA LEU 9 HA LEU 9 4.742 -1.979 4.722 71 1HB LEU 9 2HB LEU 9 6.350 -3.532 3.810 72 2HB LEU 9 1HB LEU 9 5.103 -4.347 2.880 73 HG LEU 9 HG LEU 9 4.737 -2.151 1.665 74 1HD1 LEU 9 1HD1 LEU 9 7.421 -1.188 2.049 75 2HD1 LEU 9 2HD1 LEU 9 6.564 -1.144 3.596 76 3HD1 LEU 9 3HD1 LEU 9 5.910 -0.333 2.168 77 1HD2 LEU 9 1HD2 LEU 9 5.897 -3.947 0.620 78 2HD2 LEU 9 2HD2 LEU 9 7.367 -3.615 1.550 79 3HD2 LEU 9 3HD2 LEU 9 6.819 -2.473 0.311 80 H GLY 10 H GLY 10 2.463 -4.387 3.473 81 1HA GLY 10 2HA GLY 10 1.110 -2.523 1.784 82 2HA GLY 10 1HA GLY 10 0.552 -4.130 2.248 83 H TRP 11 H TRP 11 0.859 -3.754 5.041 84 HA TRP 11 HA TRP 11 -1.658 -2.647 5.550 85 1HB TRP 11 2HB TRP 11 -0.065 -4.398 6.872 86 2HB TRP 11 1HB TRP 11 -0.001 -2.963 7.892 87 HD1 TRP 11 HD TRP 11 -1.520 -3.859 9.711 88 HE1 TRP 11 1HE TRP 11 -4.034 -4.412 9.842 89 HE3 TRP 11 3HE TRP 11 -2.843 -3.597 4.742 90 HZ2 TRP 11 2HZ TRP 11 -6.252 -4.622 8.129 91 HZ3 TRP 11 3HZ TRP 11 -5.163 -3.921 4.053 92 HH2 TRP 11 HH TRP 11 -6.902 -4.444 5.748 93 H ALA 12 H ALA 12 1.513 -1.478 6.465 94 HA ALA 12 HA ALA 12 0.460 0.748 7.730 95 1HB ALA 12 1HB ALA 12 2.674 0.937 8.155 96 2HB ALA 12 2HB ALA 12 2.879 1.585 6.527 97 3HB ALA 12 3HB ALA 12 3.063 -0.145 6.824 98 H THR 13 H THR 13 1.211 0.009 4.357 99 HA THR 13 HA THR 13 0.733 2.481 3.111 100 HB THR 13 HB THR 13 0.696 -0.373 2.338 101 HG1 THR 13 1HG THR 13 1.692 1.627 0.743 102 1HG2 THR 13 1HG2 THR 13 -0.609 1.794 0.672 103 2HG2 THR 13 2HG2 THR 13 -1.387 0.329 1.283 104 3HG2 THR 13 3HG2 THR 13 -0.126 0.215 0.056 105 H TRP 14 H TRP 14 -1.479 -0.179 3.857 106 HA TRP 14 HA TRP 14 -3.820 1.029 2.819 107 1HB TRP 14 2HB TRP 14 -3.333 -1.417 3.342 108 2HB TRP 14 1HB TRP 14 -3.737 -1.030 5.005 109 HD1 TRP 14 HD TRP 14 -6.213 -0.988 5.622 110 HE1 TRP 14 1HE TRP 14 -8.415 -1.233 4.328 111 HE3 TRP 14 3HE TRP 14 -4.470 -0.692 0.815 112 HZ2 TRP 14 2HZ TRP 14 -9.310 -1.292 1.628 113 HZ3 TRP 14 3HZ TRP 14 -6.018 -0.850 -1.058 114 HH2 TRP 14 HH TRP 14 -8.402 -1.150 -0.657 115 H GLU 15 H GLU 15 -2.583 0.742 6.138 116 HA GLU 15 HA GLU 15 -4.773 1.961 7.413 117 1HB GLU 15 2HB GLU 15 -1.854 1.770 8.202 118 2HB GLU 15 1HB GLU 15 -3.138 2.322 9.281 119 1HG GLU 15 2HG GLU 15 -4.246 0.186 9.219 120 2HG GLU 15 1HG GLU 15 -3.270 -0.368 7.863 121 H ILE 16 H ILE 16 -1.871 3.278 5.898 122 HA ILE 16 HA ILE 16 -2.328 6.036 6.645 123 HB ILE 16 HB ILE 16 -0.700 4.777 4.379 124 1HG1 ILE 16 2HG1 ILE 16 0.327 6.002 6.935 125 2HG1 ILE 16 1HG1 ILE 16 0.000 4.299 6.805 126 1HG2 ILE 16 1HG2 ILE 16 -0.776 7.621 5.415 127 2HG2 ILE 16 2HG2 ILE 16 -1.183 7.074 3.794 128 3HG2 ILE 16 3HG2 ILE 16 0.486 6.994 4.359 129 1HD1 ILE 16 1HD1 ILE 16 2.408 5.478 6.178 130 2HD1 ILE 16 2HD1 ILE 16 1.633 5.395 4.590 131 3HD1 ILE 16 3HD1 ILE 16 1.869 3.926 5.542 132 H PHE 17 H PHE 17 -3.108 3.895 3.975 133 HA PHE 17 HA PHE 17 -4.242 5.693 2.107 134 1HB PHE 17 2HB PHE 17 -3.651 3.043 2.153 135 2HB PHE 17 1HB PHE 17 -5.377 2.958 2.373 136 HD1 PHE 17 1HD PHE 17 -2.676 4.190 0.110 137 HD2 PHE 17 2HD PHE 17 -6.865 3.362 0.579 138 HE1 PHE 17 1HE PHE 17 -2.972 4.361 -2.343 139 HE2 PHE 17 2HE PHE 17 -7.178 3.547 -1.867 140 HZ PHE 17 HZ PHE 17 -5.229 4.038 -3.319 141 H ASN 18 H ASN 18 -5.550 3.896 4.832 142 HA ASN 18 HA ASN 18 -8.288 4.740 4.354 143 1HB ASN 18 2HB ASN 18 -7.021 3.043 6.513 144 2HB ASN 18 1HB ASN 18 -8.748 3.360 6.385 145 1HD2 ASN 18 1HD2 ASN 18 -9.315 1.154 5.927 146 2HD2 ASN 18 2HD2 ASN 18 -8.891 0.394 4.471 147 H LEU 19 H LEU 19 -5.782 6.450 5.655 148 HA LEU 19 HA LEU 19 -6.951 7.247 8.118 149 1HB LEU 19 2HB LEU 19 -4.636 8.108 6.519 150 2HB LEU 19 1HB LEU 19 -5.337 9.352 7.548 151 HG LEU 19 HG LEU 19 -4.475 6.589 8.486 152 1HD1 LEU 19 1HD1 LEU 19 -3.089 9.126 8.185 153 2HD1 LEU 19 2HD1 LEU 19 -2.437 7.524 8.512 154 3HD1 LEU 19 3HD1 LEU 19 -3.027 8.525 9.831 155 1HD2 LEU 19 1HD2 LEU 19 -5.976 7.108 10.130 156 2HD2 LEU 19 2HD2 LEU 19 -5.950 8.829 9.747 157 3HD2 LEU 19 3HD2 LEU 19 -4.659 8.127 10.710 158 HA PRO 20 HA PRO 20 -9.980 9.968 6.410 159 1HB PRO 20 2HB PRO 20 -10.459 11.146 9.005 160 2HB PRO 20 1HB PRO 20 -11.395 9.892 8.175 161 1HG PRO 20 2HG PRO 20 -9.971 9.484 10.455 162 2HG PRO 20 1HG PRO 20 -10.322 8.214 9.269 163 1HD PRO 20 2HD PRO 20 -7.819 9.851 9.579 164 2HD PRO 20 1HD PRO 20 -7.990 8.103 9.329 165 H ASN 21 H ASN 21 -6.965 11.263 7.038 166 HA ASN 21 HA ASN 21 -8.061 13.951 6.413 167 1HB ASN 21 2HB ASN 21 -5.961 14.069 8.466 168 2HB ASN 21 1HB ASN 21 -7.377 15.071 8.239 169 1HD2 ASN 21 1HD2 ASN 21 -9.024 14.734 9.727 170 2HD2 ASN 21 2HD2 ASN 21 -9.189 13.348 10.690 171 H LEU 22 H LEU 22 -5.768 11.658 5.726 172 HA LEU 22 HA LEU 22 -3.610 13.467 5.038 173 1HB LEU 22 2HB LEU 22 -4.047 10.582 4.254 174 2HB LEU 22 1HB LEU 22 -2.552 11.497 4.057 175 HG LEU 22 HG LEU 22 -3.911 10.890 6.701 176 1HD1 LEU 22 1HD1 LEU 22 -1.565 9.723 6.928 177 2HD1 LEU 22 2HD1 LEU 22 -1.655 9.669 5.168 178 3HD1 LEU 22 3HD1 LEU 22 -2.906 8.899 6.138 179 1HD2 LEU 22 1HD2 LEU 22 -1.517 11.687 7.441 180 2HD2 LEU 22 2HD2 LEU 22 -2.775 12.883 7.129 181 3HD2 LEU 22 3HD2 LEU 22 -1.539 12.546 5.904 182 H ASN 23 H ASN 23 -2.928 14.044 2.951 183 HA ASN 23 HA ASN 23 -5.122 14.021 0.983 184 1HB ASN 23 2HB ASN 23 -4.043 15.864 -0.099 185 2HB ASN 23 1HB ASN 23 -4.075 16.214 1.623 186 1HD2 ASN 23 1HD2 ASN 23 -2.184 17.295 -0.394 187 2HD2 ASN 23 2HD2 ASN 23 -0.636 16.831 0.123 188 H GLY 24 H GLY 24 -4.457 13.743 -1.316 189 1HA GLY 24 2HA GLY 24 -3.496 11.224 -1.818 190 2HA GLY 24 1HA GLY 24 -3.481 12.521 -3.006 191 H VAL 25 H VAL 25 -1.605 14.195 -1.504 192 HA VAL 25 HA VAL 25 0.826 13.050 -2.506 193 HB VAL 25 HB VAL 25 0.318 15.565 -0.919 194 1HG1 VAL 25 1HG1 VAL 25 2.623 16.132 -1.991 195 2HG1 VAL 25 2HG1 VAL 25 2.797 14.384 -2.175 196 3HG1 VAL 25 3HG1 VAL 25 2.613 15.090 -0.568 197 1HG2 VAL 25 1HG2 VAL 25 0.842 16.506 -3.278 198 2HG2 VAL 25 2HG2 VAL 25 -0.732 15.744 -3.047 199 3HG2 VAL 25 3HG2 VAL 25 0.568 14.857 -3.848 200 H GLN 26 H GLN 26 -0.300 13.806 0.844 201 HA GLN 26 HA GLN 26 2.059 12.892 2.067 202 1HB GLN 26 2HB GLN 26 -0.689 13.477 2.988 203 2HB GLN 26 1HB GLN 26 0.306 12.467 4.028 204 1HG GLN 26 2HG GLN 26 1.775 14.150 4.523 205 2HG GLN 26 1HG GLN 26 1.679 14.846 2.902 206 1HE2 GLN 26 1HE2 GLN 26 -0.336 14.436 5.818 207 2HE2 GLN 26 2HE2 GLN 26 -1.100 15.943 5.686 208 H VAL 27 H VAL 27 -0.958 11.202 1.292 209 HA VAL 27 HA VAL 27 -0.210 8.713 2.443 210 HB VAL 27 HB VAL 27 -2.048 9.249 0.087 211 1HG1 VAL 27 1HG1 VAL 27 -3.035 7.020 0.990 212 2HG1 VAL 27 2HG1 VAL 27 -1.473 6.822 1.788 213 3HG1 VAL 27 3HG1 VAL 27 -1.559 6.938 0.029 214 1HG2 VAL 27 1HG2 VAL 27 -2.575 8.981 3.069 215 2HG2 VAL 27 2HG2 VAL 27 -3.834 9.026 1.836 216 3HG2 VAL 27 3HG2 VAL 27 -2.800 10.430 2.088 217 H LYS 28 H LYS 28 0.113 10.074 -0.796 218 HA LYS 28 HA LYS 28 1.370 7.894 -2.062 219 1HB LYS 28 2HB LYS 28 0.388 9.812 -3.270 220 2HB LYS 28 1HB LYS 28 1.613 10.885 -2.602 221 1HG LYS 28 2HG LYS 28 3.353 9.438 -3.754 222 2HG LYS 28 1HG LYS 28 2.019 8.591 -4.548 223 1HD LYS 28 2HD LYS 28 1.209 10.780 -5.438 224 2HD LYS 28 1HD LYS 28 2.618 11.563 -4.727 225 1HE LYS 28 2HE LYS 28 4.120 10.330 -6.144 226 2HE LYS 28 1HE LYS 28 2.819 9.284 -6.713 227 1HZ LYS 28 1HZ LYS 28 1.754 11.457 -7.494 228 2HZ LYS 28 2HZ LYS 28 3.054 10.837 -8.395 229 3HZ LYS 28 3HZ LYS 28 3.301 12.130 -7.320 230 H ALA 29 H ALA 29 2.607 10.525 -0.097 231 HA ALA 29 HA ALA 29 5.367 10.055 -0.586 232 1HB ALA 29 1HB ALA 29 4.388 12.186 0.285 233 2HB ALA 29 2HB ALA 29 5.754 11.570 1.217 234 3HB ALA 29 3HB ALA 29 4.109 11.346 1.811 235 H PHE 30 H PHE 30 3.120 9.140 1.967 236 HA PHE 30 HA PHE 30 4.986 7.844 3.577 237 1HB PHE 30 2HB PHE 30 2.019 7.435 3.293 238 2HB PHE 30 1HB PHE 30 3.011 6.740 4.569 239 HD1 PHE 30 1HD PHE 30 4.861 8.939 5.273 240 HD2 PHE 30 2HD PHE 30 0.636 9.091 4.359 241 HE1 PHE 30 1HE PHE 30 4.634 11.015 6.573 242 HE2 PHE 30 2HE PHE 30 0.446 11.155 5.686 243 HZ PHE 30 HZ PHE 30 2.436 12.111 6.781 244 H ILE 31 H ILE 31 2.945 6.829 0.881 245 HA ILE 31 HA ILE 31 3.697 4.097 0.998 246 HB ILE 31 HB ILE 31 2.531 5.773 -1.220 247 1HG1 ILE 31 2HG1 ILE 31 1.371 3.566 0.516 248 2HG1 ILE 31 1HG1 ILE 31 1.123 5.286 0.786 249 1HG2 ILE 31 1HG2 ILE 31 2.218 2.894 -1.575 250 2HG2 ILE 31 2HG2 ILE 31 3.922 3.323 -1.585 251 3HG2 ILE 31 3HG2 ILE 31 2.815 4.090 -2.719 252 1HD1 ILE 31 1HD1 ILE 31 0.426 3.944 -1.825 253 2HD1 ILE 31 2HD1 ILE 31 -0.083 5.533 -1.254 254 3HD1 ILE 31 3HD1 ILE 31 -0.718 4.076 -0.494 255 H ASP 32 H ASP 32 4.882 6.902 -0.762 256 HA ASP 32 HA ASP 32 6.799 5.568 -2.316 257 1HB ASP 32 2HB ASP 32 6.047 7.972 -2.588 258 2HB ASP 32 1HB ASP 32 7.086 8.374 -1.226 259 H SER 33 H SER 33 6.927 6.913 0.885 260 HA SER 33 HA SER 33 9.686 6.429 1.416 261 1HB SER 33 2HB SER 33 7.307 6.827 3.253 262 2HB SER 33 1HB SER 33 8.989 6.773 3.790 263 HG SER 33 HG SER 33 7.939 8.552 1.839 264 H LEU 34 H LEU 34 6.710 4.648 1.847 265 HA LEU 34 HA LEU 34 7.562 2.433 3.400 266 1HB LEU 34 2HB LEU 34 5.346 3.163 1.594 267 2HB LEU 34 1HB LEU 34 5.674 1.463 1.695 268 HG LEU 34 HG LEU 34 5.626 2.744 4.302 269 1HD1 LEU 34 1HD1 LEU 34 3.277 2.951 2.448 270 2HD1 LEU 34 2HD1 LEU 34 3.857 4.129 3.618 271 3HD1 LEU 34 3HD1 LEU 34 3.006 2.695 4.165 272 1HD2 LEU 34 1HD2 LEU 34 5.614 0.396 4.122 273 2HD2 LEU 34 2HD2 LEU 34 4.323 0.408 2.937 274 3HD2 LEU 34 3HD2 LEU 34 3.986 0.824 4.618 275 H ARG 35 H ARG 35 7.279 2.820 -0.122 276 HA ARG 35 HA ARG 35 8.392 0.335 -0.885 277 1HB ARG 35 2HB ARG 35 9.162 2.515 -2.694 278 2HB ARG 35 1HB ARG 35 8.219 1.069 -3.017 279 1HG ARG 35 2HG ARG 35 6.280 2.228 -1.851 280 2HG ARG 35 1HG ARG 35 7.270 3.679 -1.869 281 1HD ARG 35 2HD ARG 35 5.970 3.914 -3.797 282 2HD ARG 35 1HD ARG 35 7.478 3.250 -4.419 283 HE ARG 35 HE ARG 35 4.908 1.881 -4.226 284 1HH1 ARG 35 1HH1 ARG 35 6.646 1.887 -6.695 285 2HH1 ARG 35 2HH1 ARG 35 7.312 0.289 -6.660 286 1HH2 ARG 35 1HH2 ARG 35 6.515 -0.222 -3.333 287 2HH2 ARG 35 2HH2 ARG 35 7.230 -0.913 -4.756 288 H ASP 36 H ASP 36 9.900 3.507 -0.475 289 HA ASP 36 HA ASP 36 12.532 2.833 -1.157 290 1HB ASP 36 2HB ASP 36 11.620 5.145 -0.949 291 2HB ASP 36 1HB ASP 36 11.654 4.928 0.790 292 H ASP 37 H ASP 37 10.745 2.653 1.826 293 HA ASP 37 HA ASP 37 12.694 0.831 2.935 294 1HB ASP 37 2HB ASP 37 13.487 3.174 3.538 295 2HB ASP 37 1HB ASP 37 12.030 3.318 4.516 296 HA PRO 38 HA PRO 38 8.497 -0.393 4.002 297 1HB PRO 38 2HB PRO 38 9.499 -3.054 4.310 298 2HB PRO 38 1HB PRO 38 8.457 -2.415 3.059 299 1HG PRO 38 2HG PRO 38 11.086 -3.248 2.754 300 2HG PRO 38 1HG PRO 38 10.129 -2.322 1.590 301 1HD PRO 38 2HD PRO 38 12.289 -1.406 3.369 302 2HD PRO 38 1HD PRO 38 11.640 -0.657 1.894 303 H SER 39 H SER 39 11.506 -1.040 5.641 304 HA SER 39 HA SER 39 10.498 -2.054 8.082 305 1HB SER 39 2HB SER 39 12.940 -0.287 7.903 306 2HB SER 39 1HB SER 39 12.638 -1.633 8.993 307 HG SER 39 HG SER 39 13.269 -1.650 6.244 308 H GLN 40 H GLN 40 10.793 1.098 6.681 309 HA GLN 40 HA GLN 40 10.105 2.533 9.089 310 1HB GLN 40 2HB GLN 40 10.999 3.197 6.369 311 2HB GLN 40 1HB GLN 40 9.813 4.322 7.016 312 1HG GLN 40 2HG GLN 40 11.951 5.159 7.659 313 2HG GLN 40 1HG GLN 40 11.241 4.457 9.110 314 1HE2 GLN 40 1HE2 GLN 40 14.032 4.436 7.150 315 2HE2 GLN 40 2HE2 GLN 40 14.742 3.023 7.766 316 H SER 41 H SER 41 8.329 0.719 6.925 317 HA SER 41 HA SER 41 6.129 2.185 6.180 318 1HB SER 41 2HB SER 41 4.912 0.074 6.205 319 2HB SER 41 1HB SER 41 6.555 -0.236 5.682 320 HG SER 41 HG SER 41 7.010 -1.124 7.614 321 H ALA 42 H ALA 42 6.853 0.804 9.345 322 HA ALA 42 HA ALA 42 4.368 1.330 10.626 323 1HB ALA 42 1HB ALA 42 6.175 -0.212 11.447 324 2HB ALA 42 2HB ALA 42 5.607 0.933 12.663 325 3HB ALA 42 3HB ALA 42 7.138 1.221 11.825 326 H ASN 43 H ASN 43 7.392 3.022 10.261 327 HA ASN 43 HA ASN 43 6.882 5.200 11.960 328 1HB ASN 43 2HB ASN 43 8.811 4.500 9.802 329 2HB ASN 43 1HB ASN 43 8.744 6.174 10.362 330 1HD2 ASN 43 1HD2 ASN 43 10.207 3.190 10.965 331 2HD2 ASN 43 2HD2 ASN 43 10.704 3.468 12.563 332 H LEU 44 H LEU 44 6.323 4.568 8.605 333 HA LEU 44 HA LEU 44 5.581 7.207 7.807 334 1HB LEU 44 2HB LEU 44 5.167 4.479 6.543 335 2HB LEU 44 1HB LEU 44 5.017 6.040 5.712 336 HG LEU 44 HG LEU 44 7.503 5.320 7.255 337 1HD1 LEU 44 1HD1 LEU 44 7.510 3.602 5.701 338 2HD1 LEU 44 2HD1 LEU 44 8.494 4.860 4.960 339 3HD1 LEU 44 3HD1 LEU 44 6.827 4.614 4.429 340 1HD2 LEU 44 1HD2 LEU 44 6.777 7.313 5.162 341 2HD2 LEU 44 2HD2 LEU 44 8.424 7.039 5.731 342 3HD2 LEU 44 3HD2 LEU 44 7.181 7.607 6.851 343 H LEU 45 H LEU 45 4.092 4.333 8.822 344 HA LEU 45 HA LEU 45 1.366 5.115 8.507 345 1HB LEU 45 2HB LEU 45 1.799 2.785 8.760 346 2HB LEU 45 1HB LEU 45 2.784 3.045 10.194 347 HG LEU 45 HG LEU 45 0.812 3.735 11.465 348 1HD1 LEU 45 1HD1 LEU 45 -1.457 3.337 10.295 349 2HD1 LEU 45 2HD1 LEU 45 -0.551 3.448 8.786 350 3HD1 LEU 45 3HD1 LEU 45 -0.585 4.817 9.898 351 1HD2 LEU 45 1HD2 LEU 45 0.457 1.155 9.910 352 2HD2 LEU 45 2HD2 LEU 45 -0.400 1.552 11.402 353 3HD2 LEU 45 3HD2 LEU 45 1.354 1.371 11.414 354 H ALA 46 H ALA 46 3.825 5.358 10.953 355 HA ALA 46 HA ALA 46 2.290 6.476 13.032 356 1HB ALA 46 1HB ALA 46 5.187 7.110 12.567 357 2HB ALA 46 2HB ALA 46 4.696 5.498 13.096 358 3HB ALA 46 3HB ALA 46 4.346 6.900 14.105 359 H GLU 47 H GLU 47 4.304 7.815 10.512 360 HA GLU 47 HA GLU 47 4.044 10.530 11.120 361 1HB GLU 47 2HB GLU 47 4.696 8.915 8.691 362 2HB GLU 47 1HB GLU 47 4.532 10.666 8.567 363 1HG GLU 47 2HG GLU 47 6.509 9.091 10.217 364 2HG GLU 47 1HG GLU 47 6.847 10.176 8.876 365 H ALA 48 H ALA 48 2.198 8.268 9.211 366 HA ALA 48 HA ALA 48 0.477 10.144 8.010 367 1HB ALA 48 1HB ALA 48 -0.869 8.074 7.597 368 2HB ALA 48 2HB ALA 48 0.303 7.196 8.571 369 3HB ALA 48 3HB ALA 48 0.801 7.980 7.072 370 H LYS 49 H LYS 49 0.222 8.029 10.865 371 HA LYS 49 HA LYS 49 -2.346 8.829 11.688 372 1HB LYS 49 2HB LYS 49 0.029 7.894 13.319 373 2HB LYS 49 1HB LYS 49 -1.598 8.096 13.966 374 1HG LYS 49 2HG LYS 49 -1.074 6.365 11.549 375 2HG LYS 49 1HG LYS 49 -0.917 5.727 13.181 376 1HD LYS 49 2HD LYS 49 -3.232 6.200 13.661 377 2HD LYS 49 1HD LYS 49 -3.417 7.104 12.159 378 1HE LYS 49 2HE LYS 49 -2.472 4.273 11.991 379 2HE LYS 49 1HE LYS 49 -4.180 4.563 12.322 380 1HZ LYS 49 1HZ LYS 49 -4.513 5.497 10.294 381 2HZ LYS 49 2HZ LYS 49 -3.245 4.444 9.881 382 3HZ LYS 49 3HZ LYS 49 -2.930 6.090 10.165 383 H LYS 50 H LYS 50 0.820 10.265 11.946 384 HA LYS 50 HA LYS 50 0.040 12.271 13.817 385 1HB LYS 50 2HB LYS 50 2.482 11.799 12.127 386 2HB LYS 50 1HB LYS 50 2.284 13.291 13.046 387 1HG LYS 50 2HG LYS 50 2.296 12.149 15.122 388 2HG LYS 50 1HG LYS 50 1.973 10.590 14.364 389 1HD LYS 50 2HD LYS 50 4.341 10.774 15.074 390 2HD LYS 50 1HD LYS 50 4.207 10.611 13.325 391 1HE LYS 50 2HE LYS 50 4.610 12.952 12.984 392 2HE LYS 50 1HE LYS 50 4.424 13.300 14.704 393 1HZ LYS 50 1HZ LYS 50 6.607 11.792 13.384 394 2HZ LYS 50 2HZ LYS 50 6.374 11.801 15.069 395 3HZ LYS 50 3HZ LYS 50 6.727 13.247 14.249 396 H LEU 51 H LEU 51 0.479 12.082 10.364 397 HA LEU 51 HA LEU 51 -0.020 14.821 9.870 398 1HB LEU 51 2HB LEU 51 0.323 12.383 8.221 399 2HB LEU 51 1HB LEU 51 -0.609 13.690 7.498 400 HG LEU 51 HG LEU 51 1.711 13.955 6.899 401 1HD1 LEU 51 1HD1 LEU 51 1.493 16.079 8.962 402 2HD1 LEU 51 2HD1 LEU 51 0.148 15.934 7.830 403 3HD1 LEU 51 3HD1 LEU 51 1.781 16.213 7.228 404 1HD2 LEU 51 1HD2 LEU 51 2.139 13.584 9.845 405 2HD2 LEU 51 2HD2 LEU 51 3.273 14.588 8.941 406 3HD2 LEU 51 3HD2 LEU 51 3.040 12.904 8.491 407 H ASN 52 H ASN 52 -2.022 11.928 9.793 408 HA ASN 52 HA ASN 52 -4.352 13.175 8.824 409 1HB ASN 52 2HB ASN 52 -5.294 11.127 8.987 410 2HB ASN 52 1HB ASN 52 -3.653 10.607 9.296 411 1HD2 ASN 52 1HD2 ASN 52 -6.792 11.089 10.771 412 2HD2 ASN 52 2HD2 ASN 52 -6.393 10.414 12.274 413 H ASP 53 H ASP 53 -3.093 12.485 12.057 414 HA ASP 53 HA ASP 53 -5.281 13.512 13.493 415 1HB ASP 53 2HB ASP 53 -3.556 12.053 14.467 416 2HB ASP 53 1HB ASP 53 -2.391 13.366 14.345 417 H ALA 54 H ALA 54 -2.320 14.951 12.263 418 HA ALA 54 HA ALA 54 -2.617 17.507 13.427 419 1HB ALA 54 1HB ALA 54 -1.026 18.191 11.571 420 2HB ALA 54 2HB ALA 54 -1.111 16.523 11.000 421 3HB ALA 54 3HB ALA 54 -0.462 16.873 12.600 422 H GLN 55 H GLN 55 -3.669 16.030 10.402 423 HA GLN 55 HA GLN 55 -4.906 18.488 9.427 424 1HB GLN 55 2HB GLN 55 -4.684 15.662 8.396 425 2HB GLN 55 1HB GLN 55 -5.660 16.890 7.580 426 1HG GLN 55 2HG GLN 55 -3.743 18.284 7.201 427 2HG GLN 55 1HG GLN 55 -2.740 17.308 8.274 428 1HE2 GLN 55 1HE2 GLN 55 -2.794 14.823 7.532 429 2HE2 GLN 55 2HE2 GLN 55 -2.533 14.589 5.872 430 H ALA 56 H ALA 56 -5.721 16.396 11.781 431 HA ALA 56 HA ALA 56 -8.428 15.749 11.154 432 1HB ALA 56 1HB ALA 56 -6.851 14.669 12.922 433 2HB ALA 56 2HB ALA 56 -8.561 14.858 13.321 434 3HB ALA 56 3HB ALA 56 -7.376 15.998 13.957 435 HA PRO 57 HA PRO 57 -10.499 19.422 12.273 436 1HB PRO 57 2HB PRO 57 -12.779 18.023 13.374 437 2HB PRO 57 1HB PRO 57 -12.585 18.685 11.745 438 1HG PRO 57 2HG PRO 57 -12.773 16.034 12.298 439 2HG PRO 57 1HG PRO 57 -11.923 16.693 10.888 440 1HD PRO 57 2HD PRO 57 -10.790 15.815 13.523 441 2HD PRO 57 1HD PRO 57 -10.214 15.452 11.876 442 H LYS 58 H LYS 58 -8.735 18.435 14.341 443 HA LYS 58 HA LYS 58 -10.102 19.011 16.860 444 1HB LYS 58 2HB LYS 58 -7.290 18.170 16.285 445 2HB LYS 58 1HB LYS 58 -7.938 18.421 17.898 446 1HG LYS 58 2HG LYS 58 -9.756 16.724 17.257 447 2HG LYS 58 1HG LYS 58 -8.754 16.330 15.863 448 1HD LYS 58 2HD LYS 58 -7.778 16.229 18.736 449 2HD LYS 58 1HD LYS 58 -8.374 14.828 17.851 450 1HE LYS 58 2HE LYS 58 -6.057 16.545 16.907 451 2HE LYS 58 1HE LYS 58 -5.865 15.060 17.835 452 1HZ LYS 58 1HZ LYS 58 -6.026 15.208 15.142 453 2HZ LYS 58 2HZ LYS 58 -7.613 14.780 15.572 454 3HZ LYS 58 3HZ LYS 58 -6.306 13.812 16.064 455 1H VAL 1 1HT VAL 1 -17.123 -3.059 4.886 456 2H VAL 1 2HT VAL 1 -17.813 -3.291 6.421 457 3H VAL 1 3HT VAL 1 -18.058 -4.440 5.194 458 HA VAL 1 HA VAL 1 -15.462 -3.787 6.474 459 HB VAL 1 HB VAL 1 -17.103 -5.057 7.894 460 1HG1 VAL 1 1HG1 VAL 1 -16.817 -7.221 5.783 461 2HG1 VAL 1 2HG1 VAL 1 -18.250 -6.210 5.979 462 3HG1 VAL 1 3HG1 VAL 1 -17.762 -7.309 7.269 463 1HG2 VAL 1 1HG2 VAL 1 -14.804 -6.813 6.984 464 2HG2 VAL 1 2HG2 VAL 1 -15.531 -6.739 8.588 465 3HG2 VAL 1 3HG2 VAL 1 -14.581 -5.381 7.990 466 H ASP 2 H ASP 2 -13.716 -5.113 5.741 467 HA ASP 2 HA ASP 2 -13.717 -5.558 2.909 468 1HB ASP 2 2HB ASP 2 -11.724 -4.778 4.216 469 2HB ASP 2 1HB ASP 2 -11.622 -6.382 4.938 470 H ASN 3 H ASN 3 -13.459 -7.501 1.798 471 HA ASN 3 HA ASN 3 -14.958 -9.705 2.683 472 1HB ASN 3 2HB ASN 3 -14.410 -8.992 0.283 473 2HB ASN 3 1HB ASN 3 -12.854 -9.778 0.513 474 1HD2 ASN 3 1HD2 ASN 3 -13.474 -11.357 -1.188 475 2HD2 ASN 3 2HD2 ASN 3 -14.556 -12.614 -0.828 476 H LYS 4 H LYS 4 -13.783 -12.039 2.398 477 HA LYS 4 HA LYS 4 -12.219 -12.437 4.682 478 1HB LYS 4 2HB LYS 4 -11.781 -14.704 3.780 479 2HB LYS 4 1HB LYS 4 -13.483 -14.265 3.684 480 1HG LYS 4 2HG LYS 4 -13.493 -14.316 1.415 481 2HG LYS 4 1HG LYS 4 -11.959 -13.473 1.305 482 1HD LYS 4 2HD LYS 4 -12.144 -16.381 2.094 483 2HD LYS 4 1HD LYS 4 -11.976 -15.863 0.419 484 1HE LYS 4 2HE LYS 4 -10.054 -14.785 2.457 485 2HE LYS 4 1HE LYS 4 -9.829 -16.427 1.864 486 1HZ LYS 4 1HZ LYS 4 -8.650 -15.269 0.324 487 2HZ LYS 4 2HZ LYS 4 -9.627 -13.885 0.432 488 3HZ LYS 4 3HZ LYS 4 -10.169 -15.244 -0.429 489 H PHE 5 H PHE 5 -11.383 -11.180 1.689 490 HA PHE 5 HA PHE 5 -8.657 -11.968 1.522 491 1HB PHE 5 2HB PHE 5 -10.312 -9.826 0.189 492 2HB PHE 5 1HB PHE 5 -8.586 -10.015 -0.133 493 HD1 PHE 5 1HD PHE 5 -7.882 -11.558 -1.753 494 HD2 PHE 5 2HD PHE 5 -11.742 -11.989 0.074 495 HE1 PHE 5 1HE PHE 5 -8.364 -13.475 -3.243 496 HE2 PHE 5 2HE PHE 5 -12.232 -13.907 -1.426 497 HZ PHE 5 HZ PHE 5 -10.533 -14.650 -3.078 498 H ASN 6 H ASN 6 -9.837 -10.398 4.024 499 HA ASN 6 HA ASN 6 -8.361 -7.961 4.111 500 1HB ASN 6 2HB ASN 6 -10.204 -8.676 5.743 501 2HB ASN 6 1HB ASN 6 -8.991 -9.702 6.506 502 1HD2 ASN 6 1HD2 ASN 6 -7.152 -7.190 5.448 503 2HD2 ASN 6 2HD2 ASN 6 -7.261 -6.158 6.795 504 H LYS 7 H LYS 7 -7.631 -11.276 4.783 505 HA LYS 7 HA LYS 7 -4.973 -10.804 5.761 506 1HB LYS 7 2HB LYS 7 -4.792 -13.209 5.733 507 2HB LYS 7 1HB LYS 7 -6.409 -12.796 6.298 508 1HG LYS 7 2HG LYS 7 -7.228 -13.124 3.929 509 2HG LYS 7 1HG LYS 7 -5.630 -13.754 3.535 510 1HD LYS 7 2HD LYS 7 -5.936 -15.426 5.422 511 2HD LYS 7 1HD LYS 7 -7.614 -14.895 5.520 512 1HE LYS 7 2HE LYS 7 -7.890 -16.633 4.035 513 2HE LYS 7 1HE LYS 7 -7.504 -15.362 2.877 514 1HZ LYS 7 1HZ LYS 7 -5.407 -17.039 4.116 515 2HZ LYS 7 2HZ LYS 7 -5.300 -16.077 2.719 516 3HZ LYS 7 3HZ LYS 7 -6.209 -17.514 2.698 517 H GLU 8 H GLU 8 -6.475 -11.659 2.691 518 HA GLU 8 HA GLU 8 -4.063 -12.066 1.215 519 1HB GLU 8 2HB GLU 8 -6.919 -11.544 0.330 520 2HB GLU 8 1HB GLU 8 -5.617 -12.040 -0.750 521 1HG GLU 8 2HG GLU 8 -6.664 -13.617 1.625 522 2HG GLU 8 1HG GLU 8 -6.973 -13.982 -0.074 523 H ARG 9 H ARG 9 -6.368 -9.387 1.376 524 HA ARG 9 HA ARG 9 -5.330 -7.771 -0.638 525 1HB ARG 9 2HB ARG 9 -7.570 -7.557 0.428 526 2HB ARG 9 1HB ARG 9 -6.792 -6.917 1.874 527 1HG ARG 9 2HG ARG 9 -5.756 -5.140 0.315 528 2HG ARG 9 1HG ARG 9 -6.927 -5.682 -0.880 529 1HD ARG 9 2HD ARG 9 -7.845 -3.787 0.350 530 2HD ARG 9 1HD ARG 9 -8.755 -5.242 0.743 531 HE ARG 9 HE ARG 9 -6.545 -4.445 2.519 532 1HH1 ARG 9 1HH2 ARG 9 -9.335 -2.925 2.491 533 2HH1 ARG 9 2HH2 ARG 9 -10.057 -3.647 3.888 534 1HH2 ARG 9 1HH1 ARG 9 -7.739 -6.205 4.080 535 2HH2 ARG 9 2HH1 ARG 9 -9.156 -5.504 4.784 536 H VAL 10 H VAL 10 -4.731 -7.723 2.872 537 HA VAL 10 HA VAL 10 -3.058 -5.484 2.953 538 HB VAL 10 HB VAL 10 -3.985 -6.279 4.970 539 1HG1 VAL 10 1HG1 VAL 10 -2.414 -8.819 4.932 540 2HG1 VAL 10 2HG1 VAL 10 -3.989 -8.716 4.145 541 3HG1 VAL 10 3HG1 VAL 10 -3.847 -8.388 5.870 542 1HG2 VAL 10 1HG2 VAL 10 -2.193 -6.057 6.418 543 2HG2 VAL 10 2HG2 VAL 10 -1.470 -5.434 4.915 544 3HG2 VAL 10 3HG2 VAL 10 -1.139 -7.082 5.434 545 H ILE 11 H ILE 11 -2.310 -8.827 2.135 546 HA ILE 11 HA ILE 11 0.532 -8.424 2.064 547 HB ILE 11 HB ILE 11 -1.171 -10.559 0.751 548 1HG1 ILE 11 2HG1 ILE 11 0.321 -10.411 3.386 549 2HG1 ILE 11 1HG1 ILE 11 -1.419 -10.525 3.169 550 1HG2 ILE 11 1HG2 ILE 11 1.769 -10.753 1.460 551 2HG2 ILE 11 2HG2 ILE 11 1.252 -10.172 -0.127 552 3HG2 ILE 11 3HG2 ILE 11 0.826 -11.798 0.400 553 1HD1 ILE 11 1HD1 ILE 11 -0.415 -12.690 1.722 554 2HD1 ILE 11 2HD1 ILE 11 -1.167 -12.760 3.317 555 3HD1 ILE 11 3HD1 ILE 11 0.586 -12.625 3.173 556 H ALA 12 H ALA 12 -2.015 -8.475 -0.485 557 HA ALA 12 HA ALA 12 -0.297 -7.928 -2.664 558 1HB ALA 12 1HB ALA 12 -2.413 -7.088 -3.738 559 2HB ALA 12 2HB ALA 12 -3.231 -7.401 -2.204 560 3HB ALA 12 3HB ALA 12 -2.513 -8.733 -3.107 561 H ILE 13 H ILE 13 -2.000 -5.848 -0.384 562 HA ILE 13 HA ILE 13 -1.507 -3.396 -1.668 563 HB ILE 13 HB ILE 13 -1.637 -4.046 1.302 564 1HG1 ILE 13 2HG1 ILE 13 -3.769 -2.617 -0.260 565 2HG1 ILE 13 1HG1 ILE 13 -3.709 -4.369 -0.300 566 1HG2 ILE 13 1HG2 ILE 13 -2.165 -1.604 1.528 567 2HG2 ILE 13 2HG2 ILE 13 -1.710 -1.396 -0.160 568 3HG2 ILE 13 3HG2 ILE 13 -0.509 -1.917 1.015 569 1HD1 ILE 13 1HD1 ILE 13 -4.269 -4.559 1.912 570 2HD1 ILE 13 2HD1 ILE 13 -5.081 -3.060 1.546 571 3HD1 ILE 13 3HD1 ILE 13 -3.509 -3.032 2.340 572 H GLY 14 H GLY 14 0.346 -5.359 0.572 573 1HA GLY 14 2HA GLY 14 2.662 -3.690 0.697 574 2HA GLY 14 1HA GLY 14 2.549 -5.367 1.197 575 H GLU 15 H GLU 15 1.688 -6.371 -1.358 576 HA GLU 15 HA GLU 15 4.223 -6.910 -2.449 577 1HB GLU 15 2HB GLU 15 1.962 -8.217 -2.558 578 2HB GLU 15 1HB GLU 15 1.698 -7.271 -4.008 579 1HG GLU 15 2HG GLU 15 3.727 -8.105 -5.029 580 2HG GLU 15 1HG GLU 15 4.217 -8.878 -3.521 581 H ILE 16 H ILE 16 1.608 -4.674 -3.312 582 HA ILE 16 HA ILE 16 2.772 -3.730 -5.743 583 HB ILE 16 HB ILE 16 1.517 -1.756 -3.813 584 1HG1 ILE 16 2HG1 ILE 16 -0.002 -3.703 -3.816 585 2HG1 ILE 16 1HG1 ILE 16 -0.719 -2.316 -4.596 586 1HG2 ILE 16 1HG2 ILE 16 0.644 -0.796 -5.915 587 2HG2 ILE 16 2HG2 ILE 16 1.428 -2.077 -6.829 588 3HG2 ILE 16 3HG2 ILE 16 2.396 -0.919 -5.930 589 1HD1 ILE 16 1HD1 ILE 16 -1.028 -4.498 -5.820 590 2HD1 ILE 16 2HD1 ILE 16 0.711 -4.491 -6.116 591 3HD1 ILE 16 3HD1 ILE 16 -0.302 -3.194 -6.764 592 H MET 17 H MET 17 3.136 -2.756 -2.394 593 HA MET 17 HA MET 17 5.020 -0.673 -2.667 594 1HB MET 17 2HB MET 17 4.713 -2.460 -0.291 595 2HB MET 17 1HB MET 17 5.253 -0.781 -0.331 596 1HG MET 17 2HG MET 17 2.517 -1.695 -1.154 597 2HG MET 17 1HG MET 17 2.881 -1.059 0.432 598 1HE MET 17 1HE MET 17 3.622 2.367 0.211 599 2HE MET 17 2HE MET 17 5.023 1.530 -0.474 600 3HE MET 17 3HE MET 17 4.095 0.763 0.840 601 H ARG 18 H ARG 18 5.376 -4.177 -2.538 602 HA ARG 18 HA ARG 18 8.181 -4.173 -2.012 603 1HB ARG 18 2HB ARG 18 6.335 -6.262 -3.070 604 2HB ARG 18 1HB ARG 18 8.046 -6.551 -2.873 605 1HG ARG 18 2HG ARG 18 6.122 -5.757 -0.667 606 2HG ARG 18 1HG ARG 18 6.772 -7.368 -0.922 607 1HD ARG 18 2HD ARG 18 8.309 -4.879 -0.139 608 2HD ARG 18 1HD ARG 18 8.043 -6.316 0.834 609 HE ARG 18 HE ARG 18 9.484 -7.530 -0.766 610 1HH1 ARG 18 1HH2 ARG 18 10.901 -5.102 0.627 611 2HH1 ARG 18 2HH2 ARG 18 11.866 -4.526 -0.691 612 1HH2 ARG 18 1HH1 ARG 18 10.137 -6.330 -3.085 613 2HH2 ARG 18 2HH1 ARG 18 11.433 -5.220 -2.790 614 H LEU 19 H LEU 19 6.199 -4.167 -4.938 615 HA LEU 19 HA LEU 19 8.186 -4.761 -6.835 616 1HB LEU 19 2HB LEU 19 5.851 -2.880 -7.140 617 2HB LEU 19 1HB LEU 19 6.796 -3.536 -8.444 618 HG LEU 19 HG LEU 19 5.243 -5.249 -6.492 619 1HD1 LEU 19 1HD1 LEU 19 3.662 -3.881 -7.693 620 2HD1 LEU 19 2HD1 LEU 19 3.650 -5.479 -8.426 621 3HD1 LEU 19 3HD1 LEU 19 4.513 -4.153 -9.218 622 1HD2 LEU 19 1HD2 LEU 19 6.895 -6.558 -7.584 623 2HD2 LEU 19 2HD2 LEU 19 6.637 -5.726 -9.115 624 3HD2 LEU 19 3HD2 LEU 19 5.408 -6.833 -8.501 625 HA PRO 20 HA PRO 20 10.568 -1.029 -6.057 626 1HB PRO 20 2HB PRO 20 12.706 -2.187 -7.602 627 2HB PRO 20 1HB PRO 20 12.599 -1.978 -5.852 628 1HG PRO 20 2HG PRO 20 12.595 -4.382 -7.148 629 2HG PRO 20 1HG PRO 20 11.936 -4.104 -5.528 630 1HD PRO 20 2HD PRO 20 10.498 -4.325 -8.137 631 2HD PRO 20 1HD PRO 20 10.022 -4.901 -6.525 632 H ASN 21 H ASN 21 9.166 -1.992 -8.957 633 HA ASN 21 HA ASN 21 10.560 0.118 -10.505 634 1HB ASN 21 2HB ASN 21 8.799 -2.098 -11.521 635 2HB ASN 21 1HB ASN 21 9.706 -0.956 -12.493 636 1HD2 ASN 21 1HD2 ASN 21 9.933 -3.983 -12.225 637 2HD2 ASN 21 2HD2 ASN 21 11.571 -4.251 -11.863 638 H LEU 22 H LEU 22 7.555 -0.649 -8.956 639 HA LEU 22 HA LEU 22 5.870 0.964 -10.609 640 1HB LEU 22 2HB LEU 22 5.476 0.041 -7.768 641 2HB LEU 22 1HB LEU 22 4.258 0.868 -8.714 642 HG LEU 22 HG LEU 22 5.459 -1.859 -9.193 643 1HD1 LEU 22 1HD1 LEU 22 2.665 -0.797 -8.683 644 2HD1 LEU 22 2HD1 LEU 22 3.601 -1.868 -7.646 645 3HD1 LEU 22 3HD1 LEU 22 2.991 -2.451 -9.197 646 1HD2 LEU 22 1HD2 LEU 22 3.782 -1.742 -11.168 647 2HD2 LEU 22 2HD2 LEU 22 5.364 -0.990 -11.353 648 3HD2 LEU 22 3HD2 LEU 22 3.944 -0.003 -10.987 649 H ASN 23 H ASN 23 4.773 2.849 -10.003 650 HA ASN 23 HA ASN 23 6.499 4.857 -8.750 651 1HB ASN 23 2HB ASN 23 5.751 5.785 -10.711 652 2HB ASN 23 1HB ASN 23 4.362 4.756 -10.798 653 1HD2 ASN 23 1HD2 ASN 23 5.449 7.307 -8.527 654 2HD2 ASN 23 2HD2 ASN 23 3.982 8.149 -8.568 655 H SER 24 H SER 24 5.557 6.262 -7.066 656 HA SER 24 HA SER 24 4.107 4.843 -5.105 657 1HB SER 24 2HB SER 24 3.796 7.147 -4.066 658 2HB SER 24 1HB SER 24 5.456 6.646 -4.363 659 HG SER 24 HG SER 24 5.524 8.489 -5.386 660 H LEU 25 H LEU 25 3.084 7.157 -7.563 661 HA LEU 25 HA LEU 25 0.349 7.229 -6.797 662 1HB LEU 25 2HB LEU 25 1.983 8.482 -8.789 663 2HB LEU 25 1HB LEU 25 0.560 7.825 -9.545 664 HG LEU 25 HG LEU 25 0.599 9.641 -7.173 665 1HD1 LEU 25 1HD1 LEU 25 1.155 10.675 -9.415 666 2HD1 LEU 25 2HD1 LEU 25 -0.289 11.332 -8.646 667 3HD1 LEU 25 3HD1 LEU 25 -0.444 10.168 -9.962 668 1HD2 LEU 25 1HD2 LEU 25 -1.364 8.583 -6.776 669 2HD2 LEU 25 2HD2 LEU 25 -1.438 7.930 -8.411 670 3HD2 LEU 25 3HD2 LEU 25 -1.966 9.585 -8.098 671 H GLN 26 H GLN 26 2.246 5.284 -9.092 672 HA GLN 26 HA GLN 26 0.066 3.956 -10.324 673 1HB GLN 26 2HB GLN 26 2.954 3.253 -9.875 674 2HB GLN 26 1HB GLN 26 1.851 2.120 -10.648 675 1HG GLN 26 2HG GLN 26 1.363 3.751 -12.404 676 2HG GLN 26 1HG GLN 26 2.414 4.942 -11.610 677 1HE2 GLN 26 1HE2 GLN 26 3.958 2.107 -11.005 678 2HE2 GLN 26 2HE2 GLN 26 4.957 2.029 -12.371 679 H VAL 27 H VAL 27 2.012 3.409 -7.508 680 HA VAL 27 HA VAL 27 1.041 0.885 -6.795 681 HB VAL 27 HB VAL 27 2.455 3.079 -5.307 682 1HG1 VAL 27 1HG1 VAL 27 2.827 1.139 -3.593 683 2HG1 VAL 27 2HG1 VAL 27 1.308 0.513 -4.232 684 3HG1 VAL 27 3HG1 VAL 27 1.360 2.108 -3.485 685 1HG2 VAL 27 1HG2 VAL 27 3.804 0.566 -5.397 686 2HG2 VAL 27 2HG2 VAL 27 4.225 2.048 -6.250 687 3HG2 VAL 27 3HG2 VAL 27 3.150 0.874 -7.005 688 H VAL 28 H VAL 28 0.085 4.147 -5.882 689 HA VAL 28 HA VAL 28 -1.997 3.451 -4.133 690 HB VAL 28 HB VAL 28 -1.714 5.878 -5.932 691 1HG1 VAL 28 1HG1 VAL 28 -3.862 4.966 -4.328 692 2HG1 VAL 28 2HG1 VAL 28 -3.710 6.529 -5.126 693 3HG1 VAL 28 3HG1 VAL 28 -3.137 6.322 -3.469 694 1HG2 VAL 28 1HG2 VAL 28 -1.227 6.228 -3.066 695 2HG2 VAL 28 2HG2 VAL 28 -0.220 6.706 -4.437 696 3HG2 VAL 28 3HG2 VAL 28 -0.102 5.073 -3.783 697 H ALA 29 H ALA 29 -1.714 3.653 -7.624 698 HA ALA 29 HA ALA 29 -4.420 3.593 -8.361 699 1HB ALA 29 1HB ALA 29 -3.582 3.445 -10.474 700 2HB ALA 29 2HB ALA 29 -2.563 2.059 -10.077 701 3HB ALA 29 3HB ALA 29 -2.016 3.693 -9.698 702 H PHE 30 H PHE 30 -2.065 0.994 -7.730 703 HA PHE 30 HA PHE 30 -3.898 -1.108 -8.208 704 1HB PHE 30 2HB PHE 30 -1.182 -0.974 -6.848 705 2HB PHE 30 1HB PHE 30 -2.035 -2.458 -7.272 706 HD1 PHE 30 1HD PHE 30 -3.053 -2.314 -9.871 707 HD2 PHE 30 2HD PHE 30 0.480 -0.340 -8.376 708 HE1 PHE 30 1HE PHE 30 -2.192 -2.058 -12.163 709 HE2 PHE 30 2HE PHE 30 1.310 -0.104 -10.671 710 HZ PHE 30 HZ PHE 30 -0.026 -0.971 -12.568 711 H ILE 31 H ILE 31 -2.627 0.531 -5.293 712 HA ILE 31 HA ILE 31 -3.913 -1.101 -3.388 713 HB ILE 31 HB ILE 31 -3.260 1.857 -3.218 714 1HG1 ILE 31 2HG1 ILE 31 -1.701 -0.450 -2.025 715 2HG1 ILE 31 1HG1 ILE 31 -1.357 0.138 -3.644 716 1HG2 ILE 31 1HG2 ILE 31 -4.880 1.222 -1.501 717 2HG2 ILE 31 2HG2 ILE 31 -3.299 1.418 -0.750 718 3HG2 ILE 31 3HG2 ILE 31 -3.918 -0.195 -1.086 719 1HD1 ILE 31 1HD1 ILE 31 -0.827 2.333 -2.827 720 2HD1 ILE 31 2HD1 ILE 31 0.055 1.196 -1.800 721 3HD1 ILE 31 3HD1 ILE 31 -1.434 1.949 -1.218 722 H ASN 32 H ASN 32 -4.983 1.804 -5.082 723 HA ASN 32 HA ASN 32 -7.525 2.081 -3.876 724 1HB ASN 32 2HB ASN 32 -6.339 2.943 -6.501 725 2HB ASN 32 1HB ASN 32 -8.081 3.050 -6.292 726 1HD2 ASN 32 1HD2 ASN 32 -5.467 4.976 -6.136 727 2HD2 ASN 32 2HD2 ASN 32 -5.925 6.019 -4.876 728 H SER 33 H SER 33 -6.333 -0.049 -6.444 729 HA SER 33 HA SER 33 -8.959 -0.898 -7.206 730 1HB SER 33 2HB SER 33 -6.185 -1.563 -8.065 731 2HB SER 33 1HB SER 33 -7.507 -2.666 -8.468 732 HG SER 33 HG SER 33 -8.593 -0.781 -9.320 733 H LEU 34 H LEU 34 -6.489 -1.852 -4.921 734 HA LEU 34 HA LEU 34 -7.466 -4.485 -4.334 735 1HB LEU 34 2HB LEU 34 -6.131 -2.489 -2.443 736 2HB LEU 34 1HB LEU 34 -6.290 -4.216 -2.169 737 HG LEU 34 HG LEU 34 -4.757 -2.978 -4.460 738 1HD1 LEU 34 1HD1 LEU 34 -3.749 -2.770 -2.118 739 2HD1 LEU 34 2HD1 LEU 34 -2.757 -3.492 -3.374 740 3HD1 LEU 34 3HD1 LEU 34 -3.563 -4.526 -2.193 741 1HD2 LEU 34 1HD2 LEU 34 -5.579 -5.077 -5.084 742 2HD2 LEU 34 2HD2 LEU 34 -5.190 -5.777 -3.532 743 3HD2 LEU 34 3HD2 LEU 34 -3.903 -5.336 -4.649 744 H ARG 35 H ARG 35 -8.008 -1.251 -3.225 745 HA ARG 35 HA ARG 35 -10.102 -1.585 -1.342 746 1HB ARG 35 2HB ARG 35 -8.678 0.525 -2.537 747 2HB ARG 35 1HB ARG 35 -10.344 0.807 -3.011 748 1HG ARG 35 2HG ARG 35 -10.942 1.451 -0.930 749 2HG ARG 35 1HG ARG 35 -10.092 0.113 -0.167 750 1HD ARG 35 2HD ARG 35 -8.000 1.663 -1.047 751 2HD ARG 35 1HD ARG 35 -9.204 2.887 -0.655 752 HE ARG 35 HE ARG 35 -7.778 1.196 1.208 753 1HH1 ARG 35 1HH1 ARG 35 -8.508 4.051 1.758 754 2HH1 ARG 35 2HH1 ARG 35 -9.780 3.894 2.923 755 1HH2 ARG 35 1HH2 ARG 35 -10.352 0.548 2.230 756 2HH2 ARG 35 2HH2 ARG 35 -10.824 1.910 3.190 757 H ASP 36 H ASP 36 -10.183 -0.924 -4.831 758 HA ASP 36 HA ASP 36 -12.976 -0.826 -5.155 759 1HB ASP 36 2HB ASP 36 -11.299 -0.032 -6.822 760 2HB ASP 36 1HB ASP 36 -10.900 -1.711 -7.180 761 H ASP 37 H ASP 37 -10.693 -3.505 -5.287 762 HA ASP 37 HA ASP 37 -12.871 -5.420 -4.935 763 1HB ASP 37 2HB ASP 37 -11.390 -5.058 -7.462 764 2HB ASP 37 1HB ASP 37 -11.431 -6.714 -6.871 765 HA PRO 38 HA PRO 38 -9.319 -6.584 -2.412 766 1HB PRO 38 2HB PRO 38 -11.165 -8.017 -0.761 767 2HB PRO 38 1HB PRO 38 -10.249 -6.561 -0.375 768 1HG PRO 38 2HG PRO 38 -13.006 -6.759 -0.761 769 2HG PRO 38 1HG PRO 38 -12.055 -5.275 -0.642 770 1HD PRO 38 2HD PRO 38 -13.260 -6.509 -3.011 771 2HD PRO 38 1HD PRO 38 -12.632 -4.861 -2.795 772 H SER 39 H SER 39 -11.958 -8.405 -3.761 773 HA SER 39 HA SER 39 -10.927 -11.027 -3.372 774 1HB SER 39 2HB SER 39 -12.579 -11.644 -5.135 775 2HB SER 39 1HB SER 39 -13.290 -10.679 -3.845 776 HG SER 39 HG SER 39 -12.461 -8.912 -5.507 777 H GLN 40 H GLN 40 -10.644 -8.568 -5.885 778 HA GLN 40 HA GLN 40 -8.803 -10.268 -7.375 779 1HB GLN 40 2HB GLN 40 -9.514 -7.617 -8.467 780 2HB GLN 40 1HB GLN 40 -9.294 -9.145 -9.267 781 1HG GLN 40 2HG GLN 40 -11.702 -8.601 -7.541 782 2HG GLN 40 1HG GLN 40 -11.680 -8.322 -9.276 783 1HE2 GLN 40 1HE2 GLN 40 -12.757 -10.552 -7.150 784 2HE2 GLN 40 2HE2 GLN 40 -12.542 -11.971 -8.056 785 H SER 41 H SER 41 -8.213 -8.895 -4.764 786 HA SER 41 HA SER 41 -6.574 -6.673 -5.155 787 1HB SER 41 2HB SER 41 -6.512 -8.963 -3.189 788 2HB SER 41 1HB SER 41 -5.276 -7.718 -3.146 789 HG SER 41 HG SER 41 -7.637 -7.621 -2.067 790 H ALA 42 H ALA 42 -6.085 -10.039 -5.727 791 HA ALA 42 HA ALA 42 -3.268 -9.995 -6.200 792 1HB ALA 42 1HB ALA 42 -3.580 -12.256 -6.884 793 2HB ALA 42 2HB ALA 42 -5.289 -11.979 -7.243 794 3HB ALA 42 3HB ALA 42 -4.727 -11.984 -5.567 795 H ASN 43 H ASN 43 -6.120 -9.340 -8.077 796 HA ASN 43 HA ASN 43 -5.121 -9.764 -10.671 797 1HB ASN 43 2HB ASN 43 -7.482 -9.633 -9.868 798 2HB ASN 43 1HB ASN 43 -7.282 -7.880 -9.914 799 1HD2 ASN 43 1HD2 ASN 43 -6.366 -7.064 -12.145 800 2HD2 ASN 43 2HD2 ASN 43 -6.988 -7.820 -13.532 801 H LEU 44 H LEU 44 -5.745 -6.732 -8.916 802 HA LEU 44 HA LEU 44 -4.449 -5.245 -10.933 803 1HB LEU 44 2HB LEU 44 -4.895 -3.252 -9.633 804 2HB LEU 44 1HB LEU 44 -6.323 -4.260 -9.681 805 HG LEU 44 HG LEU 44 -5.875 -3.238 -7.480 806 1HD1 LEU 44 1HD1 LEU 44 -5.682 -6.085 -6.962 807 2HD1 LEU 44 2HD1 LEU 44 -6.940 -5.586 -8.083 808 3HD1 LEU 44 3HD1 LEU 44 -6.882 -4.891 -6.470 809 1HD2 LEU 44 1HD2 LEU 44 -3.791 -5.171 -6.856 810 2HD2 LEU 44 2HD2 LEU 44 -4.035 -3.528 -6.285 811 3HD2 LEU 44 3HD2 LEU 44 -3.315 -3.795 -7.855 812 H LEU 45 H LEU 45 -3.586 -6.858 -8.060 813 HA LEU 45 HA LEU 45 -1.027 -5.672 -7.615 814 1HB LEU 45 2HB LEU 45 -1.834 -6.984 -5.819 815 2HB LEU 45 1HB LEU 45 -2.362 -8.271 -6.889 816 HG LEU 45 HG LEU 45 -0.059 -8.927 -7.326 817 1HD1 LEU 45 1HD1 LEU 45 0.636 -6.573 -5.548 818 2HD1 LEU 45 2HD1 LEU 45 1.030 -6.758 -7.253 819 3HD1 LEU 45 3HD1 LEU 45 1.786 -7.801 -6.065 820 1HD2 LEU 45 1HD2 LEU 45 -1.413 -9.189 -4.887 821 2HD2 LEU 45 2HD2 LEU 45 0.222 -8.741 -4.424 822 3HD2 LEU 45 3HD2 LEU 45 -0.047 -10.157 -5.434 823 H ALA 46 H ALA 46 -2.457 -8.162 -9.524 824 HA ALA 46 HA ALA 46 -0.119 -9.266 -10.687 825 1HB ALA 46 1HB ALA 46 -1.713 -10.674 -11.476 826 2HB ALA 46 2HB ALA 46 -2.248 -9.402 -12.572 827 3HB ALA 46 3HB ALA 46 -2.990 -9.561 -10.983 828 H GLU 47 H GLU 47 -2.346 -6.685 -11.500 829 HA GLU 47 HA GLU 47 -1.219 -5.836 -13.933 830 1HB GLU 47 2HB GLU 47 -2.777 -4.285 -11.845 831 2HB GLU 47 1HB GLU 47 -2.367 -3.680 -13.444 832 1HG GLU 47 2HG GLU 47 -4.106 -6.059 -12.797 833 2HG GLU 47 1HG GLU 47 -4.646 -4.509 -13.407 834 H ALA 48 H ALA 48 -0.481 -5.251 -10.568 835 HA ALA 48 HA ALA 48 1.157 -2.964 -10.947 836 1HB ALA 48 1HB ALA 48 1.056 -2.929 -8.706 837 2HB ALA 48 2HB ALA 48 1.647 -4.582 -8.580 838 3HB ALA 48 3HB ALA 48 -0.068 -4.281 -8.846 839 H LYS 49 H LYS 49 1.796 -6.377 -10.292 840 HA LYS 49 HA LYS 49 4.615 -6.082 -10.351 841 1HB LYS 49 2HB LYS 49 4.659 -8.528 -10.480 842 2HB LYS 49 1HB LYS 49 3.504 -7.955 -9.268 843 1HG LYS 49 2HG LYS 49 1.678 -8.276 -10.763 844 2HG LYS 49 1HG LYS 49 2.752 -8.727 -12.079 845 1HD LYS 49 2HD LYS 49 1.801 -10.753 -11.092 846 2HD LYS 49 1HD LYS 49 3.526 -10.681 -10.735 847 1HE LYS 49 2HE LYS 49 1.810 -9.361 -8.718 848 2HE LYS 49 1HE LYS 49 1.576 -11.104 -8.850 849 1HZ LYS 49 1HZ LYS 49 4.243 -9.836 -8.602 850 2HZ LYS 49 2HZ LYS 49 3.863 -11.485 -8.465 851 3HZ LYS 49 3HZ LYS 49 3.351 -10.390 -7.271 852 H LYS 50 H LYS 50 2.133 -6.489 -12.760 853 HA LYS 50 HA LYS 50 3.888 -7.007 -14.967 854 1HB LYS 50 2HB LYS 50 1.036 -6.119 -14.735 855 2HB LYS 50 1HB LYS 50 1.866 -6.158 -16.290 856 1HG LYS 50 2HG LYS 50 2.499 -8.583 -15.727 857 2HG LYS 50 1HG LYS 50 1.315 -8.489 -14.433 858 1HD LYS 50 2HD LYS 50 0.714 -7.940 -17.352 859 2HD LYS 50 1HD LYS 50 0.389 -9.465 -16.537 860 1HE LYS 50 2HE LYS 50 -1.672 -8.477 -16.256 861 2HE LYS 50 1HE LYS 50 -0.876 -7.831 -14.823 862 1HZ LYS 50 1HZ LYS 50 -0.620 -6.379 -17.360 863 2HZ LYS 50 2HZ LYS 50 -0.623 -5.782 -15.770 864 3HZ LYS 50 3HZ LYS 50 -2.079 -6.260 -16.503 865 H LEU 51 H LEU 51 2.473 -4.148 -13.443 866 HA LEU 51 HA LEU 51 3.465 -2.302 -15.404 867 1HB LEU 51 2HB LEU 51 2.003 -2.149 -12.891 868 2HB LEU 51 1HB LEU 51 3.259 -0.918 -12.977 869 HG LEU 51 HG LEU 51 1.047 -0.234 -13.966 870 1HD1 LEU 51 1HD1 LEU 51 2.742 1.157 -14.657 871 2HD1 LEU 51 2HD1 LEU 51 2.310 0.448 -16.220 872 3HD1 LEU 51 3HD1 LEU 51 3.707 -0.172 -15.328 873 1HD2 LEU 51 1HD2 LEU 51 1.195 -2.744 -15.159 874 2HD2 LEU 51 2HD2 LEU 51 1.611 -1.650 -16.482 875 3HD2 LEU 51 3HD2 LEU 51 0.078 -1.456 -15.625 876 H ASN 52 H ASN 52 4.548 -3.598 -12.398 877 HA ASN 52 HA ASN 52 6.904 -2.111 -12.021 878 1HB ASN 52 2HB ASN 52 6.188 -3.463 -10.232 879 2HB ASN 52 1HB ASN 52 5.939 -4.855 -11.257 880 1HD2 ASN 52 1HD2 ASN 52 8.313 -3.030 -9.508 881 2HD2 ASN 52 2HD2 ASN 52 9.591 -4.123 -9.704 882 H ASP 53 H ASP 53 6.048 -5.065 -13.600 883 HA ASP 53 HA ASP 53 8.607 -5.717 -14.681 884 1HB ASP 53 2HB ASP 53 6.687 -7.320 -14.546 885 2HB ASP 53 1HB ASP 53 5.914 -6.430 -15.857 886 H ALA 54 H ALA 54 5.925 -3.768 -15.811 887 HA ALA 54 HA ALA 54 6.755 -3.318 -18.460 888 1HB ALA 54 1HB ALA 54 4.506 -2.817 -17.264 889 2HB ALA 54 2HB ALA 54 5.056 -1.720 -18.534 890 3HB ALA 54 3HB ALA 54 5.264 -1.281 -16.838 891 H GLN 55 H GLN 55 7.440 -1.678 -15.409 892 HA GLN 55 HA GLN 55 9.095 0.339 -16.696 893 1HB GLN 55 2HB GLN 55 8.388 -0.251 -13.863 894 2HB GLN 55 1HB GLN 55 9.441 1.071 -14.332 895 1HG GLN 55 2HG GLN 55 7.716 2.237 -15.375 896 2HG GLN 55 1HG GLN 55 6.771 0.775 -15.660 897 1HE2 GLN 55 1HE2 GLN 55 6.081 -0.356 -13.497 898 2HE2 GLN 55 2HE2 GLN 55 5.501 0.681 -12.289 899 H ALA 56 H ALA 56 9.451 -2.801 -15.424 900 HA ALA 56 HA ALA 56 12.180 -2.603 -14.534 901 1HB ALA 56 1HB ALA 56 10.295 -4.486 -14.135 902 2HB ALA 56 2HB ALA 56 12.016 -4.829 -14.020 903 3HB ALA 56 3HB ALA 56 11.136 -5.219 -15.495 904 HA PRO 57 HA PRO 57 14.229 -3.174 -18.362 905 1HB PRO 57 2HB PRO 57 16.309 -4.853 -17.282 906 2HB PRO 57 1HB PRO 57 16.337 -3.102 -17.526 907 1HG PRO 57 2HG PRO 57 16.381 -4.316 -15.080 908 2HG PRO 57 1HG PRO 57 15.809 -2.664 -15.374 909 1HD PRO 57 2HD PRO 57 14.205 -5.190 -15.099 910 2HD PRO 57 1HD PRO 57 13.893 -3.577 -14.408 911 H LYS 58 H LYS 58 15.123 -4.802 -19.891 912 HA LYS 58 HA LYS 58 14.109 -7.526 -19.559 913 1HB LYS 58 2HB LYS 58 13.139 -5.504 -21.450 914 2HB LYS 58 1HB LYS 58 13.470 -7.074 -22.155 915 1HG LYS 58 2HG LYS 58 11.349 -7.564 -21.455 916 2HG LYS 58 1HG LYS 58 12.117 -7.809 -19.889 917 1HD LYS 58 2HD LYS 58 11.732 -5.279 -19.505 918 2HD LYS 58 1HD LYS 58 10.643 -5.364 -20.888 919 1HE LYS 58 2HE LYS 58 9.119 -5.819 -19.221 920 2HE LYS 58 1HE LYS 58 9.688 -7.463 -19.511 921 1HZ LYS 58 1HZ LYS 58 10.191 -5.689 -17.260 922 2HZ LYS 58 2HZ LYS 58 11.504 -6.640 -17.770 923 3HZ LYS 58 3HZ LYS 58 10.047 -7.378 -17.301 Start of MODEL 31 1 1H VAL 1 1HT VAL 1 12.990 -14.186 4.047 2 2H VAL 1 2HT VAL 1 12.974 -15.686 4.842 3 3H VAL 1 3HT VAL 1 14.367 -14.715 4.883 4 HA VAL 1 HA VAL 1 13.180 -14.599 6.980 5 HB VAL 1 HB VAL 1 12.944 -12.117 7.068 6 1HG1 VAL 1 1HG1 VAL 1 15.313 -12.995 5.386 7 2HG1 VAL 1 2HG1 VAL 1 15.186 -13.239 7.128 8 3HG1 VAL 1 3HG1 VAL 1 15.242 -11.604 6.469 9 1HG2 VAL 1 1HG2 VAL 1 13.393 -12.265 4.062 10 2HG2 VAL 1 2HG2 VAL 1 13.268 -10.793 5.024 11 3HG2 VAL 1 3HG2 VAL 1 11.864 -11.840 4.833 12 H ASP 2 H ASP 2 11.274 -13.373 8.005 13 HA ASP 2 HA ASP 2 8.845 -14.556 7.120 14 1HB ASP 2 2HB ASP 2 9.282 -12.304 9.102 15 2HB ASP 2 1HB ASP 2 7.805 -13.250 8.928 16 H ASN 3 H ASN 3 7.060 -13.666 6.128 17 HA ASN 3 HA ASN 3 7.552 -11.351 4.428 18 1HB ASN 3 2HB ASN 3 5.133 -13.169 4.639 19 2HB ASN 3 1HB ASN 3 5.399 -11.954 3.393 20 1HD2 ASN 3 1HD2 ASN 3 5.377 -15.127 3.501 21 2HD2 ASN 3 2HD2 ASN 3 6.739 -15.524 2.570 22 H LYS 4 H LYS 4 6.845 -11.456 7.531 23 HA LYS 4 HA LYS 4 4.420 -10.123 7.922 24 1HB LYS 4 2HB LYS 4 5.289 -9.469 10.098 25 2HB LYS 4 1HB LYS 4 5.749 -11.133 9.750 26 1HG LYS 4 2HG LYS 4 7.977 -10.252 8.928 27 2HG LYS 4 1HG LYS 4 7.508 -8.670 9.550 28 1HD LYS 4 2HD LYS 4 7.506 -11.172 11.253 29 2HD LYS 4 1HD LYS 4 8.899 -10.097 11.139 30 1HE LYS 4 2HE LYS 4 6.122 -9.334 12.108 31 2HE LYS 4 1HE LYS 4 7.563 -9.506 13.107 32 1HZ LYS 4 1HZ LYS 4 8.512 -7.776 11.424 33 2HZ LYS 4 2HZ LYS 4 7.553 -7.269 12.731 34 3HZ LYS 4 3HZ LYS 4 6.875 -7.404 11.178 35 H PHE 5 H PHE 5 7.667 -8.763 7.348 36 HA PHE 5 HA PHE 5 7.009 -6.073 7.643 37 1HB PHE 5 2HB PHE 5 9.076 -5.567 6.666 38 2HB PHE 5 1HB PHE 5 9.339 -7.158 7.370 39 HD1 PHE 5 1HD PHE 5 9.104 -9.210 5.860 40 HD2 PHE 5 2HD PHE 5 9.333 -5.203 4.328 41 HE1 PHE 5 1HE PHE 5 9.708 -10.101 3.627 42 HE2 PHE 5 2HE PHE 5 9.939 -6.093 2.096 43 HZ PHE 5 HZ PHE 5 10.126 -8.540 1.743 44 H ASN 6 H ASN 6 6.761 -8.228 4.839 45 HA ASN 6 HA ASN 6 5.972 -6.237 2.953 46 1HB ASN 6 2HB ASN 6 6.779 -8.439 2.237 47 2HB ASN 6 1HB ASN 6 5.400 -9.206 3.020 48 1HD2 ASN 6 1HD2 ASN 6 3.805 -9.735 1.550 49 2HD2 ASN 6 2HD2 ASN 6 3.421 -8.837 0.161 50 H LYS 7 H LYS 7 4.244 -8.508 5.020 51 HA LYS 7 HA LYS 7 1.623 -7.926 4.213 52 1HB LYS 7 2HB LYS 7 2.498 -9.848 5.690 53 2HB LYS 7 1HB LYS 7 2.469 -8.695 7.021 54 1HG LYS 7 2HG LYS 7 0.104 -8.382 6.820 55 2HG LYS 7 1HG LYS 7 0.059 -9.236 5.280 56 1HD LYS 7 2HD LYS 7 1.213 -10.843 7.456 57 2HD LYS 7 1HD LYS 7 -0.461 -10.372 7.749 58 1HE LYS 7 2HE LYS 7 -1.046 -11.224 5.458 59 2HE LYS 7 1HE LYS 7 0.612 -11.812 5.307 60 1HZ LYS 7 1HZ LYS 7 -0.954 -13.519 6.091 61 2HZ LYS 7 2HZ LYS 7 -1.258 -12.587 7.479 62 3HZ LYS 7 3HZ LYS 7 0.294 -13.221 7.199 63 H GLU 8 H GLU 8 3.775 -6.600 6.652 64 HA GLU 8 HA GLU 8 1.917 -4.684 7.634 65 1HB GLU 8 2HB GLU 8 4.905 -5.016 7.958 66 2HB GLU 8 1HB GLU 8 3.981 -3.733 8.756 67 1HG GLU 8 2HG GLU 8 2.679 -5.311 9.997 68 2HG GLU 8 1HG GLU 8 3.252 -6.660 9.023 69 H LEU 9 H LEU 9 4.527 -4.609 5.309 70 HA LEU 9 HA LEU 9 4.650 -1.809 4.776 71 1HB LEU 9 2HB LEU 9 6.404 -3.244 3.955 72 2HB LEU 9 1HB LEU 9 5.254 -4.257 3.095 73 HG LEU 9 HG LEU 9 4.666 -2.060 1.789 74 1HD1 LEU 9 1HD1 LEU 9 6.639 -0.984 3.481 75 2HD1 LEU 9 2HD1 LEU 9 5.958 -0.267 2.019 76 3HD1 LEU 9 3HD1 LEU 9 7.427 -1.198 1.914 77 1HD2 LEU 9 1HD2 LEU 9 6.448 -2.534 0.193 78 2HD2 LEU 9 2HD2 LEU 9 5.728 -4.017 0.820 79 3HD2 LEU 9 3HD2 LEU 9 7.297 -3.481 1.417 80 H GLY 10 H GLY 10 2.609 -4.419 3.584 81 1HA GLY 10 2HA GLY 10 1.251 -2.770 1.724 82 2HA GLY 10 1HA GLY 10 0.773 -4.363 2.262 83 H TRP 11 H TRP 11 0.706 -3.932 5.014 84 HA TRP 11 HA TRP 11 -1.832 -2.769 5.160 85 1HB TRP 11 2HB TRP 11 -0.690 -4.649 6.640 86 2HB TRP 11 1HB TRP 11 -0.503 -3.246 7.704 87 HD1 TRP 11 HD TRP 11 -2.382 -3.872 9.346 88 HE1 TRP 11 1HE TRP 11 -4.955 -3.967 9.208 89 HE3 TRP 11 3HE TRP 11 -3.067 -3.537 4.281 90 HZ2 TRP 11 2HZ TRP 11 -7.006 -3.850 7.240 91 HZ3 TRP 11 3HZ TRP 11 -5.286 -3.502 3.303 92 HH2 TRP 11 HH TRP 11 -7.296 -3.677 4.779 93 H ALA 12 H ALA 12 1.191 -1.643 6.508 94 HA ALA 12 HA ALA 12 0.045 0.565 7.720 95 1HB ALA 12 1HB ALA 12 2.537 1.473 6.889 96 2HB ALA 12 2HB ALA 12 2.735 -0.279 6.920 97 3HB ALA 12 3HB ALA 12 2.217 0.571 8.371 98 H THR 13 H THR 13 1.064 -0.059 4.403 99 HA THR 13 HA THR 13 0.745 2.471 3.208 100 HB THR 13 HB THR 13 0.427 -0.349 2.265 101 HG1 THR 13 1HG THR 13 2.461 -0.030 2.197 102 1HG2 THR 13 1HG2 THR 13 -1.063 0.779 0.815 103 2HG2 THR 13 2HG2 THR 13 0.467 0.697 -0.055 104 3HG2 THR 13 3HG2 THR 13 -0.022 2.200 0.729 105 H TRP 14 H TRP 14 -1.559 -0.159 3.751 106 HA TRP 14 HA TRP 14 -3.834 1.102 2.628 107 1HB TRP 14 2HB TRP 14 -3.512 -1.345 3.156 108 2HB TRP 14 1HB TRP 14 -3.796 -0.942 4.839 109 HD1 TRP 14 HD TRP 14 -6.225 -0.586 5.612 110 HE1 TRP 14 1HE TRP 14 -8.513 -0.791 4.454 111 HE3 TRP 14 3HE TRP 14 -4.742 -0.786 0.716 112 HZ2 TRP 14 2HZ TRP 14 -9.558 -1.021 1.811 113 HZ3 TRP 14 3HZ TRP 14 -6.389 -1.016 -1.053 114 HH2 TRP 14 HH TRP 14 -8.761 -1.137 -0.522 115 H GLU 15 H GLU 15 -2.686 0.796 5.968 116 HA GLU 15 HA GLU 15 -4.853 2.069 7.215 117 1HB GLU 15 2HB GLU 15 -1.950 1.797 8.034 118 2HB GLU 15 1HB GLU 15 -3.235 2.362 9.105 119 1HG GLU 15 2HG GLU 15 -4.410 0.263 8.956 120 2HG GLU 15 1HG GLU 15 -3.392 -0.296 7.630 121 H ILE 16 H ILE 16 -1.897 3.316 5.766 122 HA ILE 16 HA ILE 16 -2.291 6.079 6.509 123 HB ILE 16 HB ILE 16 -0.663 4.762 4.284 124 1HG1 ILE 16 2HG1 ILE 16 0.343 5.965 6.856 125 2HG1 ILE 16 1HG1 ILE 16 -0.060 4.274 6.733 126 1HG2 ILE 16 1HG2 ILE 16 -0.429 6.850 3.467 127 2HG2 ILE 16 2HG2 ILE 16 0.526 7.192 4.903 128 3HG2 ILE 16 3HG2 ILE 16 -1.193 7.579 4.878 129 1HD1 ILE 16 1HD1 ILE 16 1.807 3.800 5.514 130 2HD1 ILE 16 2HD1 ILE 16 2.415 5.313 6.176 131 3HD1 ILE 16 3HD1 ILE 16 1.688 5.285 4.562 132 H PHE 17 H PHE 17 -3.089 3.959 3.845 133 HA PHE 17 HA PHE 17 -4.141 5.773 1.948 134 1HB PHE 17 2HB PHE 17 -3.563 3.157 1.956 135 2HB PHE 17 1HB PHE 17 -5.274 3.028 2.270 136 HD1 PHE 17 1HD PHE 17 -6.895 3.527 0.573 137 HD2 PHE 17 2HD PHE 17 -2.710 4.175 -0.131 138 HE1 PHE 17 1HE PHE 17 -7.335 3.704 -1.856 139 HE2 PHE 17 2HE PHE 17 -3.139 4.361 -2.556 140 HZ PHE 17 HZ PHE 17 -5.452 4.117 -3.414 141 H ASN 18 H ASN 18 -5.550 4.036 4.669 142 HA ASN 18 HA ASN 18 -8.246 4.996 4.129 143 1HB ASN 18 2HB ASN 18 -7.088 3.129 6.202 144 2HB ASN 18 1HB ASN 18 -8.784 3.598 6.168 145 1HD2 ASN 18 1HD2 ASN 18 -6.499 2.686 3.517 146 2HD2 ASN 18 2HD2 ASN 18 -7.498 1.467 2.892 147 H LEU 19 H LEU 19 -5.705 6.561 5.518 148 HA LEU 19 HA LEU 19 -6.857 7.353 7.987 149 1HB LEU 19 2HB LEU 19 -4.535 8.201 6.395 150 2HB LEU 19 1HB LEU 19 -5.205 9.432 7.461 151 HG LEU 19 HG LEU 19 -4.397 6.630 8.325 152 1HD1 LEU 19 1HD1 LEU 19 -2.680 8.015 9.612 153 2HD1 LEU 19 2HD1 LEU 19 -3.105 9.325 8.521 154 3HD1 LEU 19 3HD1 LEU 19 -2.428 7.831 7.883 155 1HD2 LEU 19 1HD2 LEU 19 -4.575 8.523 10.467 156 2HD2 LEU 19 2HD2 LEU 19 -5.522 7.053 10.227 157 3HD2 LEU 19 3HD2 LEU 19 -6.083 8.580 9.564 158 HA PRO 20 HA PRO 20 -9.874 10.084 6.258 159 1HB PRO 20 2HB PRO 20 -10.414 11.188 8.875 160 2HB PRO 20 1HB PRO 20 -11.360 10.010 7.954 161 1HG PRO 20 2HG PRO 20 -10.028 9.470 10.269 162 2HG PRO 20 1HG PRO 20 -10.427 8.259 9.037 163 1HD PRO 20 2HD PRO 20 -7.833 9.659 9.525 164 2HD PRO 20 1HD PRO 20 -8.134 7.974 9.090 165 H ASN 21 H ASN 21 -6.874 11.348 7.026 166 HA ASN 21 HA ASN 21 -7.932 14.053 6.401 167 1HB ASN 21 2HB ASN 21 -6.121 13.553 8.756 168 2HB ASN 21 1HB ASN 21 -6.547 15.132 8.129 169 1HD2 ASN 21 1HD2 ASN 21 -7.444 12.854 10.444 170 2HD2 ASN 21 2HD2 ASN 21 -9.035 13.381 10.708 171 H LEU 22 H LEU 22 -5.652 11.739 5.695 172 HA LEU 22 HA LEU 22 -3.491 13.558 5.017 173 1HB LEU 22 2HB LEU 22 -3.901 10.658 4.270 174 2HB LEU 22 1HB LEU 22 -2.412 11.583 4.057 175 HG LEU 22 HG LEU 22 -3.776 11.066 6.713 176 1HD1 LEU 22 1HD1 LEU 22 -2.828 9.024 6.077 177 2HD1 LEU 22 2HD1 LEU 22 -1.580 9.782 7.058 178 3HD1 LEU 22 3HD1 LEU 22 -1.447 9.791 5.302 179 1HD2 LEU 22 1HD2 LEU 22 -1.472 12.734 5.836 180 2HD2 LEU 22 2HD2 LEU 22 -1.259 11.800 7.312 181 3HD2 LEU 22 3HD2 LEU 22 -2.577 12.967 7.199 182 H ASN 23 H ASN 23 -2.782 14.106 2.929 183 HA ASN 23 HA ASN 23 -4.954 14.065 0.938 184 1HB ASN 23 2HB ASN 23 -3.904 15.912 -0.131 185 2HB ASN 23 1HB ASN 23 -3.873 16.261 1.591 186 1HD2 ASN 23 1HD2 ASN 23 -2.038 17.237 -0.593 187 2HD2 ASN 23 2HD2 ASN 23 -0.480 16.799 -0.086 188 H GLY 24 H GLY 24 -4.290 13.728 -1.342 189 1HA GLY 24 2HA GLY 24 -3.328 11.214 -1.802 190 2HA GLY 24 1HA GLY 24 -3.283 12.493 -3.006 191 H VAL 25 H VAL 25 -1.397 14.193 -1.613 192 HA VAL 25 HA VAL 25 1.020 12.966 -2.523 193 HB VAL 25 HB VAL 25 0.531 15.547 -1.042 194 1HG1 VAL 25 1HG1 VAL 25 3.028 14.251 -2.135 195 2HG1 VAL 25 2HG1 VAL 25 2.799 15.045 -0.575 196 3HG1 VAL 25 3HG1 VAL 25 2.894 16.009 -2.049 197 1HG2 VAL 25 1HG2 VAL 25 0.882 14.701 -3.924 198 2HG2 VAL 25 2HG2 VAL 25 1.182 16.368 -3.418 199 3HG2 VAL 25 3HG2 VAL 25 -0.422 15.661 -3.218 200 H GLN 26 H GLN 26 -0.130 13.832 0.794 201 HA GLN 26 HA GLN 26 2.186 12.873 2.061 202 1HB GLN 26 2HB GLN 26 -0.545 13.575 2.918 203 2HB GLN 26 1HB GLN 26 0.337 12.479 3.972 204 1HG GLN 26 2HG GLN 26 1.919 14.044 4.543 205 2HG GLN 26 1HG GLN 26 1.877 14.815 2.952 206 1HE2 GLN 26 1HE2 GLN 26 -0.169 14.377 5.835 207 2HE2 GLN 26 2HE2 GLN 26 -0.874 15.916 5.762 208 H VAL 27 H VAL 27 -0.857 11.254 1.226 209 HA VAL 27 HA VAL 27 -0.216 8.760 2.414 210 HB VAL 27 HB VAL 27 -1.971 9.309 -0.002 211 1HG1 VAL 27 1HG1 VAL 27 -1.732 6.937 1.876 212 2HG1 VAL 27 2HG1 VAL 27 -1.374 6.949 0.148 213 3HG1 VAL 27 3HG1 VAL 27 -3.035 7.144 0.704 214 1HG2 VAL 27 1HG2 VAL 27 -3.816 9.274 1.639 215 2HG2 VAL 27 2HG2 VAL 27 -2.668 10.547 2.040 216 3HG2 VAL 27 3HG2 VAL 27 -2.660 9.038 2.949 217 H LYS 28 H LYS 28 0.278 10.068 -0.844 218 HA LYS 28 HA LYS 28 1.531 7.796 -1.973 219 1HB LYS 28 2HB LYS 28 1.565 10.745 -2.658 220 2HB LYS 28 1HB LYS 28 2.586 9.595 -3.524 221 1HG LYS 28 2HG LYS 28 0.725 8.387 -4.362 222 2HG LYS 28 1HG LYS 28 -0.384 9.122 -3.208 223 1HD LYS 28 2HD LYS 28 -0.815 10.241 -5.265 224 2HD LYS 28 1HD LYS 28 0.177 11.368 -4.344 225 1HE LYS 28 2HE LYS 28 1.380 9.408 -6.311 226 2HE LYS 28 1HE LYS 28 0.832 11.010 -6.799 227 1HZ LYS 28 1HZ LYS 28 2.324 11.476 -4.571 228 2HZ LYS 28 2HZ LYS 28 2.832 11.704 -6.176 229 3HZ LYS 28 3HZ LYS 28 3.191 10.254 -5.366 230 H ALA 29 H ALA 29 2.728 10.469 -0.043 231 HA ALA 29 HA ALA 29 5.493 9.985 -0.416 232 1HB ALA 29 1HB ALA 29 4.200 11.314 1.943 233 2HB ALA 29 2HB ALA 29 4.457 12.131 0.400 234 3HB ALA 29 3HB ALA 29 5.835 11.553 1.333 235 H PHE 30 H PHE 30 3.148 9.093 2.056 236 HA PHE 30 HA PHE 30 4.974 7.784 3.724 237 1HB PHE 30 2HB PHE 30 1.997 7.401 3.391 238 2HB PHE 30 1HB PHE 30 2.968 6.727 4.698 239 HD1 PHE 30 1HD PHE 30 4.804 8.865 5.457 240 HD2 PHE 30 2HD PHE 30 0.643 9.140 4.314 241 HE1 PHE 30 1HE PHE 30 4.579 10.976 6.704 242 HE2 PHE 30 2HE PHE 30 0.454 11.235 5.591 243 HZ PHE 30 HZ PHE 30 2.413 12.146 6.769 244 H ILE 31 H ILE 31 3.047 6.890 0.928 245 HA ILE 31 HA ILE 31 3.661 4.126 0.967 246 HB ILE 31 HB ILE 31 2.707 6.008 -1.173 247 1HG1 ILE 31 2HG1 ILE 31 1.585 3.417 -0.050 248 2HG1 ILE 31 1HG1 ILE 31 1.136 5.023 0.512 249 1HG2 ILE 31 1HG2 ILE 31 2.588 3.812 -2.618 250 2HG2 ILE 31 2HG2 ILE 31 3.885 3.245 -1.572 251 3HG2 ILE 31 3HG2 ILE 31 4.113 4.693 -2.548 252 1HD1 ILE 31 1HD1 ILE 31 -0.496 4.091 -1.117 253 2HD1 ILE 31 2HD1 ILE 31 0.784 4.028 -2.328 254 3HD1 ILE 31 3HD1 ILE 31 0.250 5.584 -1.691 255 H ASP 32 H ASP 32 5.070 6.908 -0.675 256 HA ASP 32 HA ASP 32 7.125 5.589 -1.994 257 1HB ASP 32 2HB ASP 32 6.794 8.407 -1.014 258 2HB ASP 32 1HB ASP 32 8.313 7.904 -1.755 259 H SER 33 H SER 33 7.017 6.877 1.239 260 HA SER 33 HA SER 33 9.732 6.343 1.922 261 1HB SER 33 2HB SER 33 7.263 6.674 3.655 262 2HB SER 33 1HB SER 33 8.929 6.658 4.244 263 HG SER 33 HG SER 33 7.905 8.441 2.285 264 H LEU 34 H LEU 34 6.726 4.584 2.100 265 HA LEU 34 HA LEU 34 7.481 2.276 3.603 266 1HB LEU 34 2HB LEU 34 5.315 3.208 1.846 267 2HB LEU 34 1HB LEU 34 5.576 1.497 1.809 268 HG LEU 34 HG LEU 34 5.621 2.482 4.511 269 1HD1 LEU 34 1HD1 LEU 34 3.988 4.061 4.231 270 2HD1 LEU 34 2HD1 LEU 34 2.938 2.647 4.242 271 3HD1 LEU 34 3HD1 LEU 34 3.439 3.356 2.715 272 1HD2 LEU 34 1HD2 LEU 34 4.196 0.427 2.876 273 2HD2 LEU 34 2HD2 LEU 34 3.713 0.729 4.548 274 3HD2 LEU 34 3HD2 LEU 34 5.344 0.215 4.171 275 H ARG 35 H ARG 35 7.250 2.799 0.093 276 HA ARG 35 HA ARG 35 8.364 0.294 -0.672 277 1HB ARG 35 2HB ARG 35 9.050 2.378 -2.582 278 2HB ARG 35 1HB ARG 35 7.968 1.005 -2.777 279 1HG ARG 35 2HG ARG 35 6.232 2.318 -1.512 280 2HG ARG 35 1HG ARG 35 7.327 3.684 -1.577 281 1HD ARG 35 2HD ARG 35 5.408 2.873 -3.509 282 2HD ARG 35 1HD ARG 35 6.492 4.253 -3.562 283 HE ARG 35 HE ARG 35 8.004 2.960 -4.833 284 1HH1 ARG 35 1HH2 ARG 35 6.061 0.650 -3.429 285 2HH1 ARG 35 2HH2 ARG 35 5.829 -0.303 -4.863 286 1HH2 ARG 35 1HH1 ARG 35 7.273 2.057 -6.959 287 2HH2 ARG 35 2HH1 ARG 35 6.534 0.494 -6.861 288 H ASP 36 H ASP 36 9.797 3.489 -0.211 289 HA ASP 36 HA ASP 36 12.450 2.872 -0.919 290 1HB ASP 36 2HB ASP 36 11.487 5.172 -0.657 291 2HB ASP 36 1HB ASP 36 11.552 4.915 1.075 292 H ASP 37 H ASP 37 10.619 2.557 2.027 293 HA ASP 37 HA ASP 37 12.642 0.811 3.151 294 1HB ASP 37 2HB ASP 37 13.203 3.233 3.824 295 2HB ASP 37 1HB ASP 37 11.753 3.164 4.817 296 HA PRO 38 HA PRO 38 8.482 -0.640 4.112 297 1HB PRO 38 2HB PRO 38 9.543 -3.294 4.037 298 2HB PRO 38 1HB PRO 38 8.438 -2.516 2.917 299 1HG PRO 38 2HG PRO 38 11.033 -3.258 2.363 300 2HG PRO 38 1HG PRO 38 10.065 -2.104 1.434 301 1HD PRO 38 2HD PRO 38 12.237 -1.585 3.396 302 2HD PRO 38 1HD PRO 38 11.710 -0.620 1.997 303 H SER 39 H SER 39 11.531 -1.406 5.625 304 HA SER 39 HA SER 39 10.422 -2.700 7.934 305 1HB SER 39 2HB SER 39 12.593 -2.620 8.861 306 2HB SER 39 1HB SER 39 12.880 -2.763 7.133 307 HG SER 39 HG SER 39 12.905 -0.344 7.232 308 H GLN 40 H GLN 40 10.519 0.450 6.750 309 HA GLN 40 HA GLN 40 10.142 1.766 9.338 310 1HB GLN 40 2HB GLN 40 11.546 2.476 7.091 311 2HB GLN 40 1HB GLN 40 10.052 3.377 6.873 312 1HG GLN 40 2HG GLN 40 10.325 4.270 9.195 313 2HG GLN 40 1HG GLN 40 11.884 3.459 9.289 314 1HE2 GLN 40 1HE2 GLN 40 13.317 4.016 7.178 315 2HE2 GLN 40 2HE2 GLN 40 13.346 5.665 6.773 316 H SER 41 H SER 41 8.181 0.272 7.120 317 HA SER 41 HA SER 41 6.158 1.938 6.368 318 1HB SER 41 2HB SER 41 5.697 -0.827 7.500 319 2HB SER 41 1HB SER 41 4.722 0.011 6.303 320 HG SER 41 HG SER 41 6.933 -1.469 5.981 321 H ALA 42 H ALA 42 6.471 0.419 9.573 322 HA ALA 42 HA ALA 42 3.952 1.195 10.591 323 1HB ALA 42 1HB ALA 42 5.424 -0.512 11.622 324 2HB ALA 42 2HB ALA 42 4.937 0.734 12.773 325 3HB ALA 42 3HB ALA 42 6.553 0.768 12.064 326 H ASN 43 H ASN 43 7.070 2.724 10.404 327 HA ASN 43 HA ASN 43 6.601 4.903 12.121 328 1HB ASN 43 2HB ASN 43 8.793 3.980 11.380 329 2HB ASN 43 1HB ASN 43 8.480 4.666 9.793 330 1HD2 ASN 43 1HD2 ASN 43 9.990 6.353 9.714 331 2HD2 ASN 43 2HD2 ASN 43 10.075 7.611 10.851 332 H LEU 44 H LEU 44 6.162 4.311 8.759 333 HA LEU 44 HA LEU 44 5.615 6.997 7.924 334 1HB LEU 44 2HB LEU 44 5.043 4.340 6.566 335 2HB LEU 44 1HB LEU 44 5.202 5.927 5.783 336 HG LEU 44 HG LEU 44 7.365 4.728 7.502 337 1HD1 LEU 44 1HD1 LEU 44 8.440 4.596 5.073 338 2HD1 LEU 44 2HD1 LEU 44 6.758 4.223 4.691 339 3HD1 LEU 44 3HD1 LEU 44 7.638 3.252 5.878 340 1HD2 LEU 44 1HD2 LEU 44 7.552 7.037 7.428 341 2HD2 LEU 44 2HD2 LEU 44 7.168 7.095 5.708 342 3HD2 LEU 44 3HD2 LEU 44 8.715 6.435 6.246 343 H LEU 45 H LEU 45 3.937 4.193 8.859 344 HA LEU 45 HA LEU 45 1.269 5.135 8.444 345 1HB LEU 45 2HB LEU 45 1.538 2.781 8.657 346 2HB LEU 45 1HB LEU 45 2.511 2.947 10.113 347 HG LEU 45 HG LEU 45 0.557 3.746 11.360 348 1HD1 LEU 45 1HD1 LEU 45 -1.705 3.535 10.170 349 2HD1 LEU 45 2HD1 LEU 45 -0.791 3.525 8.663 350 3HD1 LEU 45 3HD1 LEU 45 -0.713 4.924 9.732 351 1HD2 LEU 45 1HD2 LEU 45 0.982 1.347 11.265 352 2HD2 LEU 45 2HD2 LEU 45 0.052 1.212 9.772 353 3HD2 LEU 45 3HD2 LEU 45 -0.757 1.641 11.281 354 H ALA 46 H ALA 46 3.663 5.206 10.952 355 HA ALA 46 HA ALA 46 2.142 6.338 13.033 356 1HB ALA 46 1HB ALA 46 5.058 6.926 12.674 357 2HB ALA 46 2HB ALA 46 4.553 5.278 13.040 358 3HB ALA 46 3HB ALA 46 4.178 6.581 14.164 359 H GLU 47 H GLU 47 4.246 7.635 10.585 360 HA GLU 47 HA GLU 47 4.096 10.361 11.225 361 1HB GLU 47 2HB GLU 47 4.750 8.731 8.806 362 2HB GLU 47 1HB GLU 47 4.652 10.486 8.676 363 1HG GLU 47 2HG GLU 47 6.500 8.874 10.438 364 2HG GLU 47 1HG GLU 47 6.939 9.843 9.037 365 H ALA 48 H ALA 48 2.275 8.225 9.163 366 HA ALA 48 HA ALA 48 0.682 10.168 7.912 367 1HB ALA 48 1HB ALA 48 1.078 7.931 7.047 368 2HB ALA 48 2HB ALA 48 -0.637 8.183 7.283 369 3HB ALA 48 3HB ALA 48 0.274 7.232 8.446 370 H LYS 49 H LYS 49 0.199 8.044 10.702 371 HA LYS 49 HA LYS 49 -2.407 8.913 11.364 372 1HB LYS 49 2HB LYS 49 -0.173 7.787 13.077 373 2HB LYS 49 1HB LYS 49 -1.799 8.098 13.680 374 1HG LYS 49 2HG LYS 49 -1.420 6.428 11.201 375 2HG LYS 49 1HG LYS 49 -1.195 5.700 12.790 376 1HD LYS 49 2HD LYS 49 -3.455 6.272 13.444 377 2HD LYS 49 1HD LYS 49 -3.688 7.230 11.983 378 1HE LYS 49 2HE LYS 49 -4.765 5.037 11.733 379 2HE LYS 49 1HE LYS 49 -3.415 5.181 10.608 380 1HZ LYS 49 1HZ LYS 49 -3.419 3.045 11.761 381 2HZ LYS 49 2HZ LYS 49 -3.304 3.841 13.258 382 3HZ LYS 49 3HZ LYS 49 -2.031 3.944 12.137 383 H LYS 50 H LYS 50 0.818 10.176 11.948 384 HA LYS 50 HA LYS 50 0.002 12.146 13.817 385 1HB LYS 50 2HB LYS 50 2.288 11.205 13.682 386 2HB LYS 50 1HB LYS 50 2.482 12.000 12.123 387 1HG LYS 50 2HG LYS 50 2.307 14.181 13.114 388 2HG LYS 50 1HG LYS 50 1.789 13.501 14.658 389 1HD LYS 50 2HD LYS 50 4.169 14.102 14.761 390 2HD LYS 50 1HD LYS 50 3.962 12.355 14.879 391 1HE LYS 50 2HE LYS 50 5.812 13.023 13.323 392 2HE LYS 50 1HE LYS 50 4.554 12.063 12.551 393 1HZ LYS 50 1HZ LYS 50 3.630 13.972 11.559 394 2HZ LYS 50 2HZ LYS 50 5.305 14.081 11.299 395 3HZ LYS 50 3HZ LYS 50 4.567 15.024 12.505 396 H LEU 51 H LEU 51 0.577 12.043 10.374 397 HA LEU 51 HA LEU 51 0.202 14.820 9.948 398 1HB LEU 51 2HB LEU 51 0.502 12.418 8.236 399 2HB LEU 51 1HB LEU 51 -0.376 13.771 7.531 400 HG LEU 51 HG LEU 51 1.938 14.022 6.964 401 1HD1 LEU 51 1HD1 LEU 51 2.149 16.241 7.475 402 2HD1 LEU 51 2HD1 LEU 51 1.795 15.995 9.185 403 3HD1 LEU 51 3HD1 LEU 51 0.483 16.006 8.005 404 1HD2 LEU 51 1HD2 LEU 51 3.185 12.765 8.488 405 2HD2 LEU 51 2HD2 LEU 51 2.367 13.463 9.885 406 3HD2 LEU 51 3HD2 LEU 51 3.559 14.409 8.994 407 H ASN 52 H ASN 52 -1.836 11.992 9.789 408 HA ASN 52 HA ASN 52 -4.175 13.237 8.822 409 1HB ASN 52 2HB ASN 52 -4.121 10.901 8.680 410 2HB ASN 52 1HB ASN 52 -3.615 10.705 10.352 411 1HD2 ASN 52 1HD2 ASN 52 -5.272 10.510 11.927 412 2HD2 ASN 52 2HD2 ASN 52 -6.926 10.628 11.560 413 H ASP 53 H ASP 53 -2.971 12.452 12.054 414 HA ASP 53 HA ASP 53 -5.169 13.480 13.471 415 1HB ASP 53 2HB ASP 53 -2.296 13.057 14.279 416 2HB ASP 53 1HB ASP 53 -3.530 13.618 15.403 417 H ALA 54 H ALA 54 -2.178 14.912 12.333 418 HA ALA 54 HA ALA 54 -2.468 17.440 13.559 419 1HB ALA 54 1HB ALA 54 -0.312 16.800 12.733 420 2HB ALA 54 2HB ALA 54 -0.852 18.155 11.743 421 3HB ALA 54 3HB ALA 54 -0.953 16.508 11.118 422 H GLN 55 H GLN 55 -3.502 16.052 10.482 423 HA GLN 55 HA GLN 55 -4.673 18.546 9.544 424 1HB GLN 55 2HB GLN 55 -4.513 15.734 8.469 425 2HB GLN 55 1HB GLN 55 -5.457 16.997 7.666 426 1HG GLN 55 2HG GLN 55 -3.501 18.372 7.358 427 2HG GLN 55 1HG GLN 55 -2.527 17.313 8.376 428 1HE2 GLN 55 1HE2 GLN 55 -2.670 14.870 7.520 429 2HE2 GLN 55 2HE2 GLN 55 -2.423 14.705 5.849 430 H ALA 56 H ALA 56 -5.605 16.209 11.722 431 HA ALA 56 HA ALA 56 -8.375 15.908 11.045 432 1HB ALA 56 1HB ALA 56 -7.116 15.575 13.777 433 2HB ALA 56 2HB ALA 56 -7.056 14.336 12.525 434 3HB ALA 56 3HB ALA 56 -8.608 14.844 13.187 435 HA PRO 57 HA PRO 57 -10.371 19.620 12.136 436 1HB PRO 57 2HB PRO 57 -12.171 18.396 14.007 437 2HB PRO 57 1HB PRO 57 -12.470 18.847 12.324 438 1HG PRO 57 2HG PRO 57 -11.729 16.248 13.464 439 2HG PRO 57 1HG PRO 57 -12.687 16.631 12.022 440 1HD PRO 57 2HD PRO 57 -10.215 15.708 11.751 441 2HD PRO 57 1HD PRO 57 -10.793 17.037 10.718 442 H LYS 58 H LYS 58 -10.392 21.119 13.635 443 HA LYS 58 HA LYS 58 -9.116 20.573 16.248 444 1HB LYS 58 2HB LYS 58 -8.970 23.136 14.713 445 2HB LYS 58 1HB LYS 58 -8.066 22.722 16.156 446 1HG LYS 58 2HG LYS 58 -7.818 21.299 13.480 447 2HG LYS 58 1HG LYS 58 -6.694 22.513 14.082 448 1HD LYS 58 2HD LYS 58 -6.259 21.054 16.077 449 2HD LYS 58 1HD LYS 58 -7.282 19.817 15.351 450 1HE LYS 58 2HE LYS 58 -5.588 20.390 13.270 451 2HE LYS 58 1HE LYS 58 -4.524 20.620 14.658 452 1HZ LYS 58 1HZ LYS 58 -6.136 18.205 14.034 453 2HZ LYS 58 2HZ LYS 58 -5.247 18.422 15.467 454 3HZ LYS 58 3HZ LYS 58 -4.447 18.342 13.970 455 1H VAL 1 1HT VAL 1 -11.400 -6.646 6.594 456 2H VAL 1 2HT VAL 1 -11.862 -8.240 6.959 457 3H VAL 1 3HT VAL 1 -11.349 -7.195 8.197 458 HA VAL 1 HA VAL 1 -13.816 -7.574 8.025 459 HB VAL 1 HB VAL 1 -12.824 -5.710 9.297 460 1HG1 VAL 1 1HG1 VAL 1 -11.530 -4.774 7.320 461 2HG1 VAL 1 2HG1 VAL 1 -12.346 -3.571 8.315 462 3HG1 VAL 1 3HG1 VAL 1 -13.041 -4.049 6.769 463 1HG2 VAL 1 1HG2 VAL 1 -14.744 -4.244 9.290 464 2HG2 VAL 1 2HG2 VAL 1 -15.324 -5.870 8.929 465 3HG2 VAL 1 3HG2 VAL 1 -15.148 -4.687 7.632 466 H ASP 2 H ASP 2 -12.245 -5.750 5.435 467 HA ASP 2 HA ASP 2 -14.502 -5.065 3.903 468 1HB ASP 2 2HB ASP 2 -12.880 -4.886 2.030 469 2HB ASP 2 1HB ASP 2 -12.291 -4.104 3.495 470 H ASN 3 H ASN 3 -12.510 -7.956 3.987 471 HA ASN 3 HA ASN 3 -14.532 -9.679 3.017 472 1HB ASN 3 2HB ASN 3 -13.801 -8.493 0.881 473 2HB ASN 3 1HB ASN 3 -12.218 -9.229 1.110 474 1HD2 ASN 3 1HD2 ASN 3 -15.692 -10.194 0.939 475 2HD2 ASN 3 2HD2 ASN 3 -15.389 -11.662 0.143 476 H LYS 4 H LYS 4 -13.478 -11.945 2.573 477 HA LYS 4 HA LYS 4 -11.879 -12.610 4.804 478 1HB LYS 4 2HB LYS 4 -11.793 -14.853 3.908 479 2HB LYS 4 1HB LYS 4 -13.408 -14.203 3.653 480 1HG LYS 4 2HG LYS 4 -12.697 -13.554 1.328 481 2HG LYS 4 1HG LYS 4 -11.183 -14.415 1.617 482 1HD LYS 4 2HD LYS 4 -12.608 -15.965 0.499 483 2HD LYS 4 1HD LYS 4 -12.594 -16.451 2.195 484 1HE LYS 4 2HE LYS 4 -14.746 -15.551 2.591 485 2HE LYS 4 1HE LYS 4 -14.702 -14.573 1.122 486 1HZ LYS 4 1HZ LYS 4 -14.416 -17.430 0.723 487 2HZ LYS 4 2HZ LYS 4 -15.335 -16.295 -0.145 488 3HZ LYS 4 3HZ LYS 4 -15.929 -16.939 1.310 489 H PHE 5 H PHE 5 -11.143 -11.436 1.692 490 HA PHE 5 HA PHE 5 -8.375 -12.234 1.652 491 1HB PHE 5 2HB PHE 5 -10.135 -10.533 -0.096 492 2HB PHE 5 1HB PHE 5 -8.382 -10.479 -0.287 493 HD1 PHE 5 1HD PHE 5 -7.419 -12.007 -1.769 494 HD2 PHE 5 2HD PHE 5 -11.098 -12.981 0.204 495 HE1 PHE 5 1HE PHE 5 -7.497 -14.158 -2.996 496 HE2 PHE 5 2HE PHE 5 -11.189 -15.137 -1.033 497 HZ PHE 5 HZ PHE 5 -9.378 -15.724 -2.625 498 H ASN 6 H ASN 6 -9.788 -10.245 3.739 499 HA ASN 6 HA ASN 6 -8.517 -7.741 3.522 500 1HB ASN 6 2HB ASN 6 -10.260 -8.312 5.228 501 2HB ASN 6 1HB ASN 6 -9.063 -9.277 6.084 502 1HD2 ASN 6 1HD2 ASN 6 -7.889 -6.343 4.563 503 2HD2 ASN 6 2HD2 ASN 6 -7.758 -5.435 5.988 504 H LYS 7 H LYS 7 -7.391 -10.761 4.985 505 HA LYS 7 HA LYS 7 -4.825 -9.797 5.770 506 1HB LYS 7 2HB LYS 7 -5.822 -11.847 6.709 507 2HB LYS 7 1HB LYS 7 -5.762 -12.609 5.121 508 1HG LYS 7 2HG LYS 7 -3.313 -12.450 5.103 509 2HG LYS 7 1HG LYS 7 -3.337 -11.603 6.650 510 1HD LYS 7 2HD LYS 7 -2.868 -13.843 7.247 511 2HD LYS 7 1HD LYS 7 -4.596 -13.687 7.545 512 1HE LYS 7 2HE LYS 7 -4.293 -15.748 6.350 513 2HE LYS 7 1HE LYS 7 -4.969 -14.601 5.195 514 1HZ LYS 7 1HZ LYS 7 -2.272 -14.227 5.018 515 2HZ LYS 7 2HZ LYS 7 -3.236 -15.099 3.922 516 3HZ LYS 7 3HZ LYS 7 -2.427 -15.909 5.180 517 H GLU 8 H GLU 8 -6.060 -11.528 2.954 518 HA GLU 8 HA GLU 8 -3.640 -11.848 1.543 519 1HB GLU 8 2HB GLU 8 -6.526 -11.698 0.599 520 2HB GLU 8 1HB GLU 8 -5.176 -12.204 -0.422 521 1HG GLU 8 2HG GLU 8 -6.110 -13.549 2.136 522 2HG GLU 8 1HG GLU 8 -6.294 -14.178 0.497 523 H ARG 9 H ARG 9 -6.021 -9.269 1.575 524 HA ARG 9 HA ARG 9 -5.170 -7.817 -0.655 525 1HB ARG 9 2HB ARG 9 -7.315 -7.366 0.336 526 2HB ARG 9 1HB ARG 9 -6.580 -6.946 1.882 527 1HG ARG 9 2HG ARG 9 -5.659 -4.936 1.032 528 2HG ARG 9 1HG ARG 9 -5.881 -5.438 -0.640 529 1HD ARG 9 2HD ARG 9 -7.565 -3.777 -0.071 530 2HD ARG 9 1HD ARG 9 -8.347 -5.333 -0.307 531 HE ARG 9 HE ARG 9 -7.804 -5.174 2.406 532 1HH1 ARG 9 1HH2 ARG 9 -10.123 -4.232 0.115 533 2HH1 ARG 9 2HH2 ARG 9 -11.049 -3.257 1.204 534 1HH2 ARG 9 1HH1 ARG 9 -8.773 -3.518 3.795 535 2HH2 ARG 9 2HH1 ARG 9 -10.285 -2.854 3.282 536 H VAL 10 H VAL 10 -4.259 -7.502 2.821 537 HA VAL 10 HA VAL 10 -2.577 -5.285 2.413 538 HB VAL 10 HB VAL 10 -2.177 -5.283 4.601 539 1HG1 VAL 10 1HG1 VAL 10 -3.904 -7.711 4.988 540 2HG1 VAL 10 2HG1 VAL 10 -4.600 -6.217 4.361 541 3HG1 VAL 10 3HG1 VAL 10 -3.828 -6.231 5.956 542 1HG2 VAL 10 1HG2 VAL 10 -1.223 -7.036 5.900 543 2HG2 VAL 10 2HG2 VAL 10 -0.423 -7.035 4.326 544 3HG2 VAL 10 3HG2 VAL 10 -1.659 -8.249 4.688 545 H ILE 11 H ILE 11 -1.922 -8.743 2.126 546 HA ILE 11 HA ILE 11 0.898 -8.469 1.861 547 HB ILE 11 HB ILE 11 -0.916 -10.611 0.703 548 1HG1 ILE 11 2HG1 ILE 11 0.511 -10.262 3.356 549 2HG1 ILE 11 1HG1 ILE 11 -1.203 -10.542 3.084 550 1HG2 ILE 11 1HG2 ILE 11 1.429 -10.430 -0.282 551 2HG2 ILE 11 2HG2 ILE 11 1.095 -11.956 0.532 552 3HG2 ILE 11 3HG2 ILE 11 2.057 -10.720 1.343 553 1HD1 ILE 11 1HD1 ILE 11 -0.623 -12.692 3.603 554 2HD1 ILE 11 2HD1 ILE 11 1.054 -12.464 3.105 555 3HD1 ILE 11 3HD1 ILE 11 -0.198 -12.752 1.892 556 H ALA 12 H ALA 12 -1.784 -8.274 -0.479 557 HA ALA 12 HA ALA 12 -0.170 -8.050 -2.819 558 1HB ALA 12 1HB ALA 12 -2.287 -6.911 -3.708 559 2HB ALA 12 2HB ALA 12 -2.994 -7.235 -2.123 560 3HB ALA 12 3HB ALA 12 -2.477 -8.573 -3.145 561 H ILE 13 H ILE 13 -1.642 -5.697 -0.622 562 HA ILE 13 HA ILE 13 -0.753 -3.367 -1.937 563 HB ILE 13 HB ILE 13 -1.191 -3.885 1.034 564 1HG1 ILE 13 2HG1 ILE 13 -3.016 -2.575 -0.963 565 2HG1 ILE 13 1HG1 ILE 13 -3.073 -4.302 -0.642 566 1HG2 ILE 13 1HG2 ILE 13 -0.963 -1.315 -0.542 567 2HG2 ILE 13 2HG2 ILE 13 0.015 -1.805 0.824 568 3HG2 ILE 13 3HG2 ILE 13 -1.688 -1.408 1.062 569 1HD1 ILE 13 1HD1 ILE 13 -3.590 -3.885 1.691 570 2HD1 ILE 13 2HD1 ILE 13 -4.737 -3.010 0.682 571 3HD1 ILE 13 3HD1 ILE 13 -3.395 -2.158 1.447 572 H GLY 14 H GLY 14 0.679 -5.414 0.549 573 1HA GLY 14 2HA GLY 14 3.128 -4.081 0.901 574 2HA GLY 14 1HA GLY 14 2.867 -5.807 1.143 575 H GLU 15 H GLU 15 2.109 -6.503 -1.477 576 HA GLU 15 HA GLU 15 4.663 -6.830 -2.663 577 1HB GLU 15 2HB GLU 15 2.409 -8.236 -2.820 578 2HB GLU 15 1HB GLU 15 2.184 -7.244 -4.235 579 1HG GLU 15 2HG GLU 15 4.497 -9.106 -3.666 580 2HG GLU 15 1HG GLU 15 3.305 -9.258 -4.950 581 H ILE 16 H ILE 16 1.813 -4.763 -3.419 582 HA ILE 16 HA ILE 16 2.863 -3.651 -5.810 583 HB ILE 16 HB ILE 16 1.512 -1.788 -3.843 584 1HG1 ILE 16 2HG1 ILE 16 0.158 -3.889 -3.835 585 2HG1 ILE 16 1HG1 ILE 16 -0.697 -2.505 -4.460 586 1HG2 ILE 16 1HG2 ILE 16 0.510 -0.886 -5.914 587 2HG2 ILE 16 2HG2 ILE 16 1.353 -2.111 -6.857 588 3HG2 ILE 16 3HG2 ILE 16 2.268 -0.891 -5.978 589 1HD1 ILE 16 1HD1 ILE 16 0.694 -4.554 -6.180 590 2HD1 ILE 16 2HD1 ILE 16 -0.323 -3.214 -6.726 591 3HD1 ILE 16 3HD1 ILE 16 -1.036 -4.552 -5.820 592 H MET 17 H MET 17 3.109 -2.605 -2.485 593 HA MET 17 HA MET 17 4.847 -0.417 -2.755 594 1HB MET 17 2HB MET 17 4.456 -2.256 -0.410 595 2HB MET 17 1HB MET 17 5.090 -0.604 -0.377 596 1HG MET 17 2HG MET 17 2.354 -1.273 -1.480 597 2HG MET 17 1HG MET 17 2.610 -0.812 0.192 598 1HE MET 17 1HE MET 17 3.293 2.318 0.610 599 2HE MET 17 2HE MET 17 4.818 2.027 -0.225 600 3HE MET 17 3HE MET 17 4.101 0.743 0.774 601 H ARG 18 H ARG 18 5.463 -3.882 -2.539 602 HA ARG 18 HA ARG 18 8.259 -3.733 -2.029 603 1HB ARG 18 2HB ARG 18 6.493 -5.845 -3.154 604 2HB ARG 18 1HB ARG 18 8.222 -6.071 -3.080 605 1HG ARG 18 2HG ARG 18 6.934 -5.120 -0.583 606 2HG ARG 18 1HG ARG 18 6.531 -6.757 -1.082 607 1HD ARG 18 2HD ARG 18 9.349 -5.694 -0.775 608 2HD ARG 18 1HD ARG 18 8.510 -6.674 0.422 609 HE ARG 18 HE ARG 18 9.904 -7.701 -1.766 610 1HH1 ARG 18 1HH1 ARG 18 8.893 -9.530 0.312 611 2HH1 ARG 18 2HH1 ARG 18 7.680 -10.446 -0.516 612 1HH2 ARG 18 1HH2 ARG 18 7.393 -8.194 -3.134 613 2HH2 ARG 18 2HH2 ARG 18 6.830 -9.690 -2.467 614 H LEU 19 H LEU 19 6.306 -3.880 -4.981 615 HA LEU 19 HA LEU 19 8.345 -4.235 -6.868 616 1HB LEU 19 2HB LEU 19 5.833 -2.603 -7.169 617 2HB LEU 19 1HB LEU 19 6.823 -3.188 -8.467 618 HG LEU 19 HG LEU 19 5.444 -4.991 -6.482 619 1HD1 LEU 19 1HD1 LEU 19 3.862 -5.398 -8.376 620 2HD1 LEU 19 2HD1 LEU 19 4.626 -4.055 -9.235 621 3HD1 LEU 19 3HD1 LEU 19 3.768 -3.772 -7.717 622 1HD2 LEU 19 1HD2 LEU 19 6.941 -5.399 -9.045 623 2HD2 LEU 19 2HD2 LEU 19 5.749 -6.580 -8.499 624 3HD2 LEU 19 3HD2 LEU 19 7.166 -6.218 -7.504 625 HA PRO 20 HA PRO 20 10.273 -0.251 -6.096 626 1HB PRO 20 2HB PRO 20 12.526 -1.140 -7.654 627 2HB PRO 20 1HB PRO 20 12.403 -0.954 -5.902 628 1HG PRO 20 2HG PRO 20 12.681 -3.337 -7.211 629 2HG PRO 20 1HG PRO 20 12.000 -3.146 -5.587 630 1HD PRO 20 2HD PRO 20 10.585 -3.520 -8.195 631 2HD PRO 20 1HD PRO 20 10.191 -4.162 -6.583 632 H ASN 21 H ASN 21 9.193 -1.522 -9.087 633 HA ASN 21 HA ASN 21 10.237 0.786 -10.598 634 1HB ASN 21 2HB ASN 21 8.809 -1.656 -11.632 635 2HB ASN 21 1HB ASN 21 9.578 -0.410 -12.595 636 1HD2 ASN 21 1HD2 ASN 21 10.206 -3.400 -12.235 637 2HD2 ASN 21 2HD2 ASN 21 11.860 -3.423 -11.851 638 H LEU 22 H LEU 22 7.328 -0.208 -9.021 639 HA LEU 22 HA LEU 22 5.511 1.122 -10.807 640 1HB LEU 22 2HB LEU 22 5.132 0.386 -7.906 641 2HB LEU 22 1HB LEU 22 3.868 0.975 -8.961 642 HG LEU 22 HG LEU 22 5.380 -1.632 -9.130 643 1HD1 LEU 22 1HD1 LEU 22 2.491 -0.814 -8.752 644 2HD1 LEU 22 2HD1 LEU 22 3.491 -1.787 -7.677 645 3HD1 LEU 22 3HD1 LEU 22 2.943 -2.453 -9.218 646 1HD2 LEU 22 1HD2 LEU 22 3.713 -1.843 -11.155 647 2HD2 LEU 22 2HD2 LEU 22 5.294 -1.097 -11.373 648 3HD2 LEU 22 3HD2 LEU 22 3.849 -0.097 -11.169 649 H ASN 23 H ASN 23 4.365 3.001 -10.475 650 HA ASN 23 HA ASN 23 5.888 5.209 -9.331 651 1HB ASN 23 2HB ASN 23 4.979 6.003 -11.276 652 2HB ASN 23 1HB ASN 23 3.756 4.767 -11.325 653 1HD2 ASN 23 1HD2 ASN 23 1.991 6.096 -11.843 654 2HD2 ASN 23 2HD2 ASN 23 1.422 7.323 -10.824 655 H SER 24 H SER 24 4.939 6.666 -7.736 656 HA SER 24 HA SER 24 3.792 5.364 -5.520 657 1HB SER 24 2HB SER 24 3.441 7.621 -4.613 658 2HB SER 24 1HB SER 24 5.020 7.502 -5.377 659 HG SER 24 HG SER 24 3.875 8.333 -7.309 660 H LEU 25 H LEU 25 2.364 7.351 -8.057 661 HA LEU 25 HA LEU 25 -0.320 7.137 -7.148 662 1HB LEU 25 2HB LEU 25 1.064 8.514 -9.227 663 2HB LEU 25 1HB LEU 25 -0.258 7.628 -9.932 664 HG LEU 25 HG LEU 25 -0.508 9.424 -7.564 665 1HD1 LEU 25 1HD1 LEU 25 -1.262 9.896 -10.458 666 2HD1 LEU 25 2HD1 LEU 25 0.022 10.726 -9.579 667 3HD1 LEU 25 3HD1 LEU 25 -1.662 10.973 -9.120 668 1HD2 LEU 25 1HD2 LEU 25 -2.350 8.129 -7.317 669 2HD2 LEU 25 2HD2 LEU 25 -2.254 7.535 -8.974 670 3HD2 LEU 25 3HD2 LEU 25 -2.994 9.101 -8.640 671 H GLN 26 H GLN 26 1.742 5.278 -9.351 672 HA GLN 26 HA GLN 26 -0.326 3.702 -10.499 673 1HB GLN 26 2HB GLN 26 2.611 3.478 -10.241 674 2HB GLN 26 1HB GLN 26 1.744 1.974 -10.498 675 1HG GLN 26 2HG GLN 26 0.708 2.888 -12.529 676 2HG GLN 26 1HG GLN 26 1.531 4.427 -12.272 677 1HE2 GLN 26 1HE2 GLN 26 3.563 1.946 -11.216 678 2HE2 GLN 26 2HE2 GLN 26 4.486 1.780 -12.628 679 H VAL 27 H VAL 27 1.708 3.386 -7.677 680 HA VAL 27 HA VAL 27 0.822 0.847 -6.863 681 HB VAL 27 HB VAL 27 2.154 3.109 -5.383 682 1HG1 VAL 27 1HG1 VAL 27 0.949 0.605 -4.350 683 2HG1 VAL 27 2HG1 VAL 27 1.403 2.072 -3.490 684 3HG1 VAL 27 3HG1 VAL 27 2.626 0.864 -3.874 685 1HG2 VAL 27 1HG2 VAL 27 2.945 0.821 -7.043 686 2HG2 VAL 27 2HG2 VAL 27 3.797 0.868 -5.497 687 3HG2 VAL 27 3HG2 VAL 27 3.878 2.248 -6.591 688 H VAL 28 H VAL 28 -0.180 4.112 -6.073 689 HA VAL 28 HA VAL 28 -2.221 3.432 -4.261 690 HB VAL 28 HB VAL 28 -2.015 5.794 -6.158 691 1HG1 VAL 28 1HG1 VAL 28 -4.177 4.906 -4.623 692 2HG1 VAL 28 2HG1 VAL 28 -3.982 6.510 -5.327 693 3HG1 VAL 28 3HG1 VAL 28 -3.462 6.203 -3.669 694 1HG2 VAL 28 1HG2 VAL 28 -1.536 6.275 -3.304 695 2HG2 VAL 28 2HG2 VAL 28 -0.550 6.731 -4.694 696 3HG2 VAL 28 3HG2 VAL 28 -0.376 5.131 -3.978 697 H ALA 29 H ALA 29 -1.990 3.516 -7.765 698 HA ALA 29 HA ALA 29 -4.703 3.335 -8.463 699 1HB ALA 29 1HB ALA 29 -2.353 3.492 -9.852 700 2HB ALA 29 2HB ALA 29 -3.901 3.078 -10.588 701 3HB ALA 29 3HB ALA 29 -2.775 1.798 -10.120 702 H PHE 30 H PHE 30 -2.247 0.844 -7.787 703 HA PHE 30 HA PHE 30 -4.042 -1.303 -8.179 704 1HB PHE 30 2HB PHE 30 -1.300 -1.120 -6.897 705 2HB PHE 30 1HB PHE 30 -2.157 -2.627 -7.219 706 HD1 PHE 30 1HD PHE 30 -3.174 -2.708 -9.862 707 HD2 PHE 30 2HD PHE 30 0.277 -0.473 -8.481 708 HE1 PHE 30 1HE PHE 30 -2.318 -2.530 -12.154 709 HE2 PHE 30 2HE PHE 30 1.079 -0.330 -10.775 710 HZ PHE 30 HZ PHE 30 -0.203 -1.360 -12.627 711 H ILE 31 H ILE 31 -2.778 0.424 -5.323 712 HA ILE 31 HA ILE 31 -3.928 -1.203 -3.333 713 HB ILE 31 HB ILE 31 -3.373 1.781 -3.318 714 1HG1 ILE 31 2HG1 ILE 31 -1.762 -0.467 -2.083 715 2HG1 ILE 31 1HG1 ILE 31 -1.412 0.177 -3.676 716 1HG2 ILE 31 1HG2 ILE 31 -4.948 1.257 -1.542 717 2HG2 ILE 31 2HG2 ILE 31 -3.353 1.484 -0.823 718 3HG2 ILE 31 3HG2 ILE 31 -3.992 -0.142 -1.060 719 1HD1 ILE 31 1HD1 ILE 31 -1.472 1.786 -1.097 720 2HD1 ILE 31 2HD1 ILE 31 -1.143 2.436 -2.707 721 3HD1 ILE 31 3HD1 ILE 31 -0.009 1.298 -1.969 722 H ASN 32 H ASN 32 -5.152 1.718 -4.920 723 HA ASN 32 HA ASN 32 -7.621 1.885 -3.619 724 1HB ASN 32 2HB ASN 32 -6.536 3.636 -5.067 725 2HB ASN 32 1HB ASN 32 -7.028 2.700 -6.472 726 1HD2 ASN 32 1HD2 ASN 32 -8.412 4.462 -7.150 727 2HD2 ASN 32 2HD2 ASN 32 -9.895 4.766 -6.379 728 H SER 33 H SER 33 -6.577 -0.177 -6.311 729 HA SER 33 HA SER 33 -9.194 -0.850 -7.167 730 1HB SER 33 2HB SER 33 -6.475 -1.802 -7.699 731 2HB SER 33 1HB SER 33 -7.817 -2.843 -8.159 732 HG SER 33 HG SER 33 -7.283 -0.164 -8.936 733 H LEU 34 H LEU 34 -7.008 -2.004 -4.720 734 HA LEU 34 HA LEU 34 -8.354 -4.469 -4.154 735 1HB LEU 34 2HB LEU 34 -6.948 -2.836 -2.040 736 2HB LEU 34 1HB LEU 34 -7.020 -4.585 -2.212 737 HG LEU 34 HG LEU 34 -5.499 -2.690 -4.013 738 1HD1 LEU 34 1HD1 LEU 34 -4.236 -4.863 -2.410 739 2HD1 LEU 34 2HD1 LEU 34 -4.679 -3.341 -1.634 740 3HD1 LEU 34 3HD1 LEU 34 -3.553 -3.337 -2.999 741 1HD2 LEU 34 1HD2 LEU 34 -6.554 -4.941 -4.884 742 2HD2 LEU 34 2HD2 LEU 34 -5.153 -5.638 -4.085 743 3HD2 LEU 34 3HD2 LEU 34 -4.942 -4.455 -5.354 744 H ARG 35 H ARG 35 -8.485 -1.166 -3.121 745 HA ARG 35 HA ARG 35 -10.568 -1.255 -1.188 746 1HB ARG 35 2HB ARG 35 -8.936 0.682 -2.401 747 2HB ARG 35 1HB ARG 35 -10.564 1.139 -2.877 748 1HG ARG 35 2HG ARG 35 -11.129 1.786 -0.775 749 2HG ARG 35 1HG ARG 35 -10.303 0.425 -0.020 750 1HD ARG 35 2HD ARG 35 -8.141 1.750 -0.855 751 2HD ARG 35 1HD ARG 35 -9.246 3.120 -0.765 752 HE ARG 35 HE ARG 35 -8.205 1.565 1.462 753 1HH1 ARG 35 1HH1 ARG 35 -8.254 4.504 1.602 754 2HH1 ARG 35 2HH1 ARG 35 -9.643 4.841 2.581 755 1HH2 ARG 35 1HH2 ARG 35 -11.019 1.690 2.170 756 2HH2 ARG 35 2HH2 ARG 35 -11.207 3.247 2.904 757 H ASP 36 H ASP 36 -10.541 -0.746 -4.673 758 HA ASP 36 HA ASP 36 -13.303 -0.347 -5.074 759 1HB ASP 36 2HB ASP 36 -11.136 -1.419 -6.912 760 2HB ASP 36 1HB ASP 36 -12.751 -0.963 -7.447 761 H ASP 37 H ASP 37 -11.278 -3.223 -4.996 762 HA ASP 37 HA ASP 37 -13.436 -4.943 -4.263 763 1HB ASP 37 2HB ASP 37 -12.706 -4.764 -7.119 764 2HB ASP 37 1HB ASP 37 -12.715 -6.399 -6.466 765 HA PRO 38 HA PRO 38 -9.502 -6.494 -2.758 766 1HB PRO 38 2HB PRO 38 -10.961 -8.007 -0.805 767 2HB PRO 38 1HB PRO 38 -9.973 -6.569 -0.563 768 1HG PRO 38 2HG PRO 38 -12.722 -6.723 -0.297 769 2HG PRO 38 1HG PRO 38 -11.769 -5.242 -0.437 770 1HD PRO 38 2HD PRO 38 -13.451 -6.584 -2.470 771 2HD PRO 38 1HD PRO 38 -12.964 -4.879 -2.339 772 H SER 39 H SER 39 -12.144 -8.070 -4.148 773 HA SER 39 HA SER 39 -11.524 -10.790 -3.776 774 1HB SER 39 2HB SER 39 -12.979 -11.140 -5.755 775 2HB SER 39 1HB SER 39 -13.712 -10.064 -4.568 776 HG SER 39 HG SER 39 -13.221 -8.335 -5.846 777 H GLN 40 H GLN 40 -10.496 -8.406 -6.191 778 HA GLN 40 HA GLN 40 -8.692 -10.416 -7.296 779 1HB GLN 40 2HB GLN 40 -8.993 -7.993 -8.901 780 2HB GLN 40 1HB GLN 40 -9.062 -9.668 -9.369 781 1HG GLN 40 2HG GLN 40 -11.252 -9.160 -9.774 782 2HG GLN 40 1HG GLN 40 -11.414 -9.546 -8.068 783 1HE2 GLN 40 1HE2 GLN 40 -9.849 -6.940 -7.432 784 2HE2 GLN 40 2HE2 GLN 40 -11.014 -5.721 -7.620 785 H SER 41 H SER 41 -8.127 -8.880 -4.854 786 HA SER 41 HA SER 41 -6.462 -6.716 -5.368 787 1HB SER 41 2HB SER 41 -6.398 -8.802 -3.179 788 2HB SER 41 1HB SER 41 -5.321 -7.413 -3.185 789 HG SER 41 HG SER 41 -7.394 -6.188 -3.467 790 H ALA 42 H ALA 42 -5.917 -10.101 -5.545 791 HA ALA 42 HA ALA 42 -3.084 -10.050 -5.907 792 1HB ALA 42 1HB ALA 42 -3.333 -12.385 -6.372 793 2HB ALA 42 2HB ALA 42 -5.043 -12.180 -6.771 794 3HB ALA 42 3HB ALA 42 -4.495 -11.992 -5.103 795 H ASN 43 H ASN 43 -5.876 -9.754 -7.969 796 HA ASN 43 HA ASN 43 -4.709 -10.395 -10.458 797 1HB ASN 43 2HB ASN 43 -7.144 -10.261 -9.744 798 2HB ASN 43 1HB ASN 43 -6.989 -8.532 -10.064 799 1HD2 ASN 43 1HD2 ASN 43 -6.019 -8.035 -12.354 800 2HD2 ASN 43 2HD2 ASN 43 -6.535 -9.031 -13.627 801 H LEU 44 H LEU 44 -5.584 -7.239 -9.039 802 HA LEU 44 HA LEU 44 -4.243 -5.929 -11.143 803 1HB LEU 44 2HB LEU 44 -4.949 -3.859 -10.265 804 2HB LEU 44 1HB LEU 44 -6.278 -4.980 -10.109 805 HG LEU 44 HG LEU 44 -5.899 -3.442 -8.212 806 1HD1 LEU 44 1HD1 LEU 44 -5.685 -6.176 -7.145 807 2HD1 LEU 44 2HD1 LEU 44 -7.012 -5.817 -8.251 808 3HD1 LEU 44 3HD1 LEU 44 -6.832 -4.876 -6.762 809 1HD2 LEU 44 1HD2 LEU 44 -4.147 -3.513 -6.820 810 2HD2 LEU 44 2HD2 LEU 44 -3.325 -3.992 -8.280 811 3HD2 LEU 44 3HD2 LEU 44 -3.838 -5.215 -7.115 812 H LEU 45 H LEU 45 -3.471 -7.159 -8.065 813 HA LEU 45 HA LEU 45 -1.019 -5.777 -7.618 814 1HB LEU 45 2HB LEU 45 -1.693 -7.056 -5.759 815 2HB LEU 45 1HB LEU 45 -2.209 -8.404 -6.763 816 HG LEU 45 HG LEU 45 0.132 -8.948 -7.273 817 1HD1 LEU 45 1HD1 LEU 45 1.040 -6.664 -7.115 818 2HD1 LEU 45 2HD1 LEU 45 1.935 -7.776 -6.102 819 3HD1 LEU 45 3HD1 LEU 45 0.763 -6.673 -5.380 820 1HD2 LEU 45 1HD2 LEU 45 -1.017 -8.972 -4.566 821 2HD2 LEU 45 2HD2 LEU 45 0.738 -9.122 -4.585 822 3HD2 LEU 45 3HD2 LEU 45 -0.254 -10.269 -5.481 823 H ALA 46 H ALA 46 -2.221 -8.452 -9.427 824 HA ALA 46 HA ALA 46 0.216 -9.484 -10.467 825 1HB ALA 46 1HB ALA 46 -1.193 -10.986 -11.418 826 2HB ALA 46 2HB ALA 46 -1.991 -9.716 -12.342 827 3HB ALA 46 3HB ALA 46 -2.543 -10.093 -10.713 828 H GLU 47 H GLU 47 -2.101 -7.065 -11.492 829 HA GLU 47 HA GLU 47 -0.909 -6.294 -13.925 830 1HB GLU 47 2HB GLU 47 -2.664 -4.736 -12.008 831 2HB GLU 47 1HB GLU 47 -2.212 -4.186 -13.615 832 1HG GLU 47 2HG GLU 47 -3.824 -6.629 -12.901 833 2HG GLU 47 1HG GLU 47 -4.410 -5.167 -13.672 834 H ALA 48 H ALA 48 -0.344 -5.491 -10.573 835 HA ALA 48 HA ALA 48 1.171 -3.134 -10.994 836 1HB ALA 48 1HB ALA 48 -0.017 -4.473 -8.874 837 2HB ALA 48 2HB ALA 48 0.990 -3.028 -8.760 838 3HB ALA 48 3HB ALA 48 1.711 -4.621 -8.560 839 H LYS 49 H LYS 49 1.996 -6.474 -10.179 840 HA LYS 49 HA LYS 49 4.790 -5.987 -10.221 841 1HB LYS 49 2HB LYS 49 5.001 -8.426 -10.160 842 2HB LYS 49 1HB LYS 49 3.778 -7.854 -9.018 843 1HG LYS 49 2HG LYS 49 2.028 -8.364 -10.607 844 2HG LYS 49 1HG LYS 49 3.215 -8.955 -11.764 845 1HD LYS 49 2HD LYS 49 2.342 -10.896 -10.645 846 2HD LYS 49 1HD LYS 49 3.952 -10.618 -9.985 847 1HE LYS 49 2HE LYS 49 3.084 -10.443 -7.911 848 2HE LYS 49 1HE LYS 49 2.080 -9.093 -8.430 849 1HZ LYS 49 1HZ LYS 49 0.293 -10.418 -8.753 850 2HZ LYS 49 2HZ LYS 49 1.063 -11.356 -7.564 851 3HZ LYS 49 3HZ LYS 49 1.214 -11.768 -9.206 852 H LYS 50 H LYS 50 2.388 -6.750 -12.604 853 HA LYS 50 HA LYS 50 4.139 -7.291 -14.797 854 1HB LYS 50 2HB LYS 50 1.281 -6.399 -14.587 855 2HB LYS 50 1HB LYS 50 2.089 -6.583 -16.137 856 1HG LYS 50 2HG LYS 50 2.502 -8.933 -15.724 857 2HG LYS 50 1HG LYS 50 1.899 -8.802 -14.076 858 1HD LYS 50 2HD LYS 50 -0.318 -8.015 -15.108 859 2HD LYS 50 1HD LYS 50 0.332 -8.551 -16.656 860 1HE LYS 50 2HE LYS 50 0.259 -10.793 -16.069 861 2HE LYS 50 1HE LYS 50 0.427 -10.458 -14.345 862 1HZ LYS 50 1HZ LYS 50 -1.768 -10.883 -14.356 863 2HZ LYS 50 2HZ LYS 50 -1.959 -10.507 -16.002 864 3HZ LYS 50 3HZ LYS 50 -1.891 -9.264 -14.846 865 H LEU 51 H LEU 51 2.611 -4.426 -13.407 866 HA LEU 51 HA LEU 51 3.484 -2.627 -15.455 867 1HB LEU 51 2HB LEU 51 2.027 -2.444 -12.940 868 2HB LEU 51 1HB LEU 51 3.196 -1.138 -13.099 869 HG LEU 51 HG LEU 51 0.969 -0.604 -14.081 870 1HD1 LEU 51 1HD1 LEU 51 3.565 -0.568 -15.565 871 2HD1 LEU 51 2HD1 LEU 51 2.578 0.773 -14.966 872 3HD1 LEU 51 3HD1 LEU 51 2.110 -0.073 -16.443 873 1HD2 LEU 51 1HD2 LEU 51 1.416 -3.189 -15.337 874 2HD2 LEU 51 2HD2 LEU 51 1.169 -1.948 -16.567 875 3HD2 LEU 51 3HD2 LEU 51 -0.048 -2.203 -15.315 876 H ASN 52 H ASN 52 4.662 -3.642 -12.352 877 HA ASN 52 HA ASN 52 6.934 -1.955 -12.201 878 1HB ASN 52 2HB ASN 52 6.223 -3.141 -10.246 879 2HB ASN 52 1HB ASN 52 6.325 -4.689 -11.063 880 1HD2 ASN 52 1HD2 ASN 52 8.549 -5.370 -11.752 881 2HD2 ASN 52 2HD2 ASN 52 9.879 -4.884 -10.819 882 H ASP 53 H ASP 53 6.197 -5.077 -13.554 883 HA ASP 53 HA ASP 53 8.820 -5.673 -14.541 884 1HB ASP 53 2HB ASP 53 6.087 -6.638 -15.408 885 2HB ASP 53 1HB ASP 53 7.587 -7.250 -16.089 886 H ALA 54 H ALA 54 6.051 -3.925 -15.753 887 HA ALA 54 HA ALA 54 6.882 -3.556 -18.428 888 1HB ALA 54 1HB ALA 54 4.578 -3.170 -17.265 889 2HB ALA 54 2HB ALA 54 5.053 -2.143 -18.619 890 3HB ALA 54 3HB ALA 54 5.209 -1.551 -16.965 891 H GLN 55 H GLN 55 7.387 -1.710 -15.450 892 HA GLN 55 HA GLN 55 8.930 0.342 -16.845 893 1HB GLN 55 2HB GLN 55 8.151 -0.027 -13.994 894 2HB GLN 55 1HB GLN 55 9.052 1.350 -14.590 895 1HG GLN 55 2HG GLN 55 7.227 2.215 -15.721 896 2HG GLN 55 1HG GLN 55 6.486 0.631 -15.944 897 1HE2 GLN 55 1HE2 GLN 55 6.070 -0.451 -13.591 898 2HE2 GLN 55 2HE2 GLN 55 5.238 0.568 -12.520 899 H ALA 56 H ALA 56 9.550 -2.687 -15.628 900 HA ALA 56 HA ALA 56 11.962 -2.312 -14.188 901 1HB ALA 56 1HB ALA 56 10.683 -4.437 -14.168 902 2HB ALA 56 2HB ALA 56 12.381 -4.676 -14.582 903 3HB ALA 56 3HB ALA 56 11.154 -4.708 -15.846 904 HA PRO 57 HA PRO 57 14.907 -1.625 -17.320 905 1HB PRO 57 2HB PRO 57 17.006 -3.093 -15.996 906 2HB PRO 57 1HB PRO 57 16.683 -1.355 -15.941 907 1HG PRO 57 2HG PRO 57 16.424 -3.049 -13.808 908 2HG PRO 57 1HG PRO 57 15.590 -1.495 -13.972 909 1HD PRO 57 2HD PRO 57 14.557 -4.257 -14.524 910 2HD PRO 57 1HD PRO 57 13.746 -2.882 -13.734 911 H LYS 58 H LYS 58 16.886 -2.848 -18.447 912 HA LYS 58 HA LYS 58 15.721 -5.147 -19.787 913 1HB LYS 58 2HB LYS 58 17.809 -3.181 -20.364 914 2HB LYS 58 1HB LYS 58 18.165 -4.800 -20.948 915 1HG LYS 58 2HG LYS 58 16.978 -3.752 -22.724 916 2HG LYS 58 1HG LYS 58 15.792 -4.791 -21.936 917 1HD LYS 58 2HD LYS 58 14.998 -2.825 -20.611 918 2HD LYS 58 1HD LYS 58 16.131 -1.804 -21.495 919 1HE LYS 58 2HE LYS 58 14.042 -1.555 -22.620 920 2HE LYS 58 1HE LYS 58 14.991 -2.642 -23.634 921 1HZ LYS 58 1HZ LYS 58 13.027 -3.530 -21.591 922 2HZ LYS 58 2HZ LYS 58 13.863 -4.517 -22.694 923 3HZ LYS 58 3HZ LYS 58 12.697 -3.413 -23.251 Start of MODEL 32 1 1H VAL 1 1HT VAL 1 2.910 -17.488 9.374 2 2H VAL 1 2HT VAL 1 2.626 -16.355 8.141 3 3H VAL 1 3HT VAL 1 4.042 -16.260 9.076 4 HA VAL 1 HA VAL 1 4.945 -18.198 8.130 5 HB VAL 1 HB VAL 1 3.619 -19.526 6.463 6 1HG1 VAL 1 1HG1 VAL 1 2.326 -20.742 8.112 7 2HG1 VAL 1 2HG1 VAL 1 2.262 -19.332 9.170 8 3HG1 VAL 1 3HG1 VAL 1 3.796 -20.157 8.891 9 1HG2 VAL 1 1HG2 VAL 1 1.968 -17.872 5.777 10 2HG2 VAL 1 2HG2 VAL 1 1.362 -17.727 7.426 11 3HG2 VAL 1 3HG2 VAL 1 1.118 -19.221 6.525 12 H ASP 2 H ASP 2 2.790 -15.896 6.565 13 HA ASP 2 HA ASP 2 4.291 -15.753 4.105 14 1HB ASP 2 2HB ASP 2 2.756 -13.948 3.537 15 2HB ASP 2 1HB ASP 2 1.851 -15.291 4.231 16 H ASN 3 H ASN 3 4.675 -13.240 3.460 17 HA ASN 3 HA ASN 3 6.960 -12.414 5.001 18 1HB ASN 3 2HB ASN 3 5.498 -11.140 2.671 19 2HB ASN 3 1HB ASN 3 7.009 -10.529 3.346 20 1HD2 ASN 3 1HD2 ASN 3 6.072 -12.095 0.707 21 2HD2 ASN 3 2HD2 ASN 3 7.332 -13.216 0.513 22 H LYS 4 H LYS 4 6.414 -11.717 7.023 23 HA LYS 4 HA LYS 4 4.115 -10.268 7.732 24 1HB LYS 4 2HB LYS 4 5.664 -11.508 9.288 25 2HB LYS 4 1HB LYS 4 6.777 -10.144 9.158 26 1HG LYS 4 2HG LYS 4 4.939 -8.630 9.921 27 2HG LYS 4 1HG LYS 4 3.912 -10.041 10.151 28 1HD LYS 4 2HD LYS 4 5.545 -10.958 11.772 29 2HD LYS 4 1HD LYS 4 6.548 -9.521 11.563 30 1HE LYS 4 2HE LYS 4 3.660 -9.153 12.274 31 2HE LYS 4 1HE LYS 4 4.782 -9.656 13.540 32 1HZ LYS 4 1HZ LYS 4 5.685 -7.483 11.841 33 2HZ LYS 4 2HZ LYS 4 5.829 -7.683 13.523 34 3HZ LYS 4 3HZ LYS 4 4.374 -7.117 12.853 35 H PHE 5 H PHE 5 7.425 -9.063 7.056 36 HA PHE 5 HA PHE 5 6.873 -6.364 7.523 37 1HB PHE 5 2HB PHE 5 8.990 -5.905 6.727 38 2HB PHE 5 1HB PHE 5 9.161 -7.608 7.132 39 HD1 PHE 5 1HD PHE 5 9.155 -5.125 4.455 40 HD2 PHE 5 2HD PHE 5 8.995 -9.346 5.310 41 HE1 PHE 5 1HE PHE 5 9.766 -5.634 2.107 42 HE2 PHE 5 2HE PHE 5 9.607 -9.841 2.960 43 HZ PHE 5 HZ PHE 5 9.993 -7.987 1.361 44 H ASN 6 H ASN 6 6.556 -8.349 4.606 45 HA ASN 6 HA ASN 6 5.889 -6.249 2.819 46 1HB ASN 6 2HB ASN 6 6.581 -8.536 2.134 47 2HB ASN 6 1HB ASN 6 5.051 -9.146 2.750 48 1HD2 ASN 6 1HD2 ASN 6 4.373 -9.841 0.613 49 2HD2 ASN 6 2HD2 ASN 6 3.914 -8.715 -0.580 50 H LYS 7 H LYS 7 3.978 -8.478 4.804 51 HA LYS 7 HA LYS 7 1.423 -7.621 3.996 52 1HB LYS 7 2HB LYS 7 2.026 -9.705 5.352 53 2HB LYS 7 1HB LYS 7 2.160 -8.646 6.753 54 1HG LYS 7 2HG LYS 7 -0.157 -7.983 6.560 55 2HG LYS 7 1HG LYS 7 -0.321 -8.826 5.020 56 1HD LYS 7 2HD LYS 7 0.635 -10.506 7.270 57 2HD LYS 7 1HD LYS 7 -1.016 -9.910 7.433 58 1HE LYS 7 2HE LYS 7 -1.563 -10.818 5.191 59 2HE LYS 7 1HE LYS 7 0.091 -11.408 5.046 60 1HZ LYS 7 1HZ LYS 7 -0.216 -12.949 6.729 61 2HZ LYS 7 2HZ LYS 7 -1.676 -13.021 5.863 62 3HZ LYS 7 3HZ LYS 7 -1.599 -12.177 7.335 63 H GLU 8 H GLU 8 3.685 -6.576 6.475 64 HA GLU 8 HA GLU 8 2.003 -4.591 7.607 65 1HB GLU 8 2HB GLU 8 4.964 -5.145 7.750 66 2HB GLU 8 1HB GLU 8 4.242 -3.750 8.561 67 1HG GLU 8 2HG GLU 8 2.745 -5.233 9.822 68 2HG GLU 8 1HG GLU 8 3.401 -6.637 8.987 69 H LEU 9 H LEU 9 4.464 -4.593 5.139 70 HA LEU 9 HA LEU 9 4.704 -1.795 4.648 71 1HB LEU 9 2HB LEU 9 6.329 -3.370 3.778 72 2HB LEU 9 1HB LEU 9 5.085 -4.227 2.878 73 HG LEU 9 HG LEU 9 4.672 -2.000 1.658 74 1HD1 LEU 9 1HD1 LEU 9 7.419 -1.156 1.919 75 2HD1 LEU 9 2HD1 LEU 9 6.601 -1.043 3.483 76 3HD1 LEU 9 3HD1 LEU 9 5.952 -0.228 2.056 77 1HD2 LEU 9 1HD2 LEU 9 6.632 -2.403 0.174 78 2HD2 LEU 9 2HD2 LEU 9 5.705 -3.850 0.565 79 3HD2 LEU 9 3HD2 LEU 9 7.241 -3.545 1.375 80 H GLY 10 H GLY 10 2.494 -4.278 3.415 81 1HA GLY 10 2HA GLY 10 1.133 -2.491 1.672 82 2HA GLY 10 1HA GLY 10 0.599 -4.095 2.162 83 H TRP 11 H TRP 11 0.785 -3.677 4.948 84 HA TRP 11 HA TRP 11 -1.748 -2.550 5.342 85 1HB TRP 11 2HB TRP 11 -0.248 -4.321 6.738 86 2HB TRP 11 1HB TRP 11 -0.229 -2.887 7.762 87 HD1 TRP 11 HD TRP 11 -1.835 -3.820 9.484 88 HE1 TRP 11 1HE TRP 11 -4.355 -4.352 9.481 89 HE3 TRP 11 3HE TRP 11 -2.916 -3.452 4.465 90 HZ2 TRP 11 2HZ TRP 11 -6.496 -4.492 7.669 91 HZ3 TRP 11 3HZ TRP 11 -5.201 -3.734 3.659 92 HH2 TRP 11 HH TRP 11 -7.026 -4.272 5.262 93 H ALA 12 H ALA 12 1.385 -1.407 6.392 94 HA ALA 12 HA ALA 12 0.304 0.805 7.656 95 1HB ALA 12 1HB ALA 12 2.523 0.863 8.153 96 2HB ALA 12 2HB ALA 12 2.728 1.724 6.627 97 3HB ALA 12 3HB ALA 12 2.946 -0.024 6.694 98 H THR 13 H THR 13 1.168 0.113 4.315 99 HA THR 13 HA THR 13 0.707 2.583 3.060 100 HB THR 13 HB THR 13 0.537 -0.278 2.240 101 HG1 THR 13 1HG THR 13 2.504 0.928 2.530 102 1HG2 THR 13 1HG2 THR 13 0.242 0.565 -0.103 103 2HG2 THR 13 2HG2 THR 13 -0.197 2.132 0.577 104 3HG2 THR 13 3HG2 THR 13 -1.197 0.714 0.904 105 H TRP 14 H TRP 14 -1.484 -0.097 3.777 106 HA TRP 14 HA TRP 14 -3.831 1.057 2.683 107 1HB TRP 14 2HB TRP 14 -3.348 -1.365 3.285 108 2HB TRP 14 1HB TRP 14 -3.693 -0.921 4.942 109 HD1 TRP 14 HD TRP 14 -6.114 -0.925 5.669 110 HE1 TRP 14 1HE TRP 14 -8.378 -1.208 4.493 111 HE3 TRP 14 3HE TRP 14 -4.641 -0.611 0.756 112 HZ2 TRP 14 2HZ TRP 14 -9.415 -1.304 1.847 113 HZ3 TRP 14 3HZ TRP 14 -6.286 -0.816 -1.016 114 HH2 TRP 14 HH TRP 14 -8.631 -1.162 -0.479 115 H GLU 15 H GLU 15 -2.623 0.828 6.015 116 HA GLU 15 HA GLU 15 -4.818 2.086 7.246 117 1HB GLU 15 2HB GLU 15 -1.920 1.830 8.092 118 2HB GLU 15 1HB GLU 15 -3.215 2.405 9.146 119 1HG GLU 15 2HG GLU 15 -4.362 0.291 9.064 120 2HG GLU 15 1HG GLU 15 -3.384 -0.280 7.716 121 H ILE 16 H ILE 16 -1.870 3.324 5.775 122 HA ILE 16 HA ILE 16 -2.258 6.091 6.496 123 HB ILE 16 HB ILE 16 -0.631 4.733 4.293 124 1HG1 ILE 16 2HG1 ILE 16 0.337 6.066 6.814 125 2HG1 ILE 16 1HG1 ILE 16 -0.004 4.363 6.748 126 1HG2 ILE 16 1HG2 ILE 16 0.473 7.257 4.873 127 2HG2 ILE 16 2HG2 ILE 16 -1.254 7.544 4.661 128 3HG2 ILE 16 3HG2 ILE 16 -0.322 6.767 3.382 129 1HD1 ILE 16 1HD1 ILE 16 2.442 5.457 6.178 130 2HD1 ILE 16 2HD1 ILE 16 1.730 5.370 4.559 131 3HD1 ILE 16 3HD1 ILE 16 1.887 3.910 5.544 132 H PHE 17 H PHE 17 -3.139 3.941 3.874 133 HA PHE 17 HA PHE 17 -4.269 5.763 2.009 134 1HB PHE 17 2HB PHE 17 -3.728 3.090 2.067 135 2HB PHE 17 1HB PHE 17 -5.456 3.058 2.297 136 HD1 PHE 17 1HD PHE 17 -2.724 4.073 -0.005 137 HD2 PHE 17 2HD PHE 17 -6.959 3.624 0.526 138 HE1 PHE 17 1HE PHE 17 -3.038 4.254 -2.454 139 HE2 PHE 17 2HE PHE 17 -7.290 3.816 -1.914 140 HZ PHE 17 HZ PHE 17 -5.331 4.120 -3.401 141 H ASN 18 H ASN 18 -5.518 3.997 4.786 142 HA ASN 18 HA ASN 18 -8.258 4.909 4.404 143 1HB ASN 18 2HB ASN 18 -6.932 3.063 6.392 144 2HB ASN 18 1HB ASN 18 -8.630 3.513 6.492 145 1HD2 ASN 18 1HD2 ASN 18 -6.431 2.448 3.812 146 2HD2 ASN 18 2HD2 ASN 18 -7.515 1.289 3.211 147 H LEU 19 H LEU 19 -5.672 6.531 5.665 148 HA LEU 19 HA LEU 19 -6.711 7.284 8.196 149 1HB LEU 19 2HB LEU 19 -4.484 8.173 6.499 150 2HB LEU 19 1HB LEU 19 -5.131 9.405 7.580 151 HG LEU 19 HG LEU 19 -4.206 6.630 8.425 152 1HD1 LEU 19 1HD1 LEU 19 -3.021 9.382 8.657 153 2HD1 LEU 19 2HD1 LEU 19 -2.323 7.968 7.872 154 3HD1 LEU 19 3HD1 LEU 19 -2.471 8.019 9.625 155 1HD2 LEU 19 1HD2 LEU 19 -5.410 7.022 10.293 156 2HD2 LEU 19 2HD2 LEU 19 -5.834 8.640 9.747 157 3HD2 LEU 19 3HD2 LEU 19 -4.335 8.381 10.628 158 HA PRO 20 HA PRO 20 -9.872 9.961 6.658 159 1HB PRO 20 2HB PRO 20 -10.280 11.059 9.300 160 2HB PRO 20 1HB PRO 20 -11.253 9.858 8.437 161 1HG PRO 20 2HG PRO 20 -9.775 9.352 10.668 162 2HG PRO 20 1HG PRO 20 -10.218 8.130 9.464 163 1HD PRO 20 2HD PRO 20 -7.634 9.593 9.793 164 2HD PRO 20 1HD PRO 20 -7.919 7.898 9.384 165 H ASN 21 H ASN 21 -6.856 11.298 7.275 166 HA ASN 21 HA ASN 21 -8.005 13.963 6.654 167 1HB ASN 21 2HB ASN 21 -6.202 13.519 9.019 168 2HB ASN 21 1HB ASN 21 -6.568 15.091 8.342 169 1HD2 ASN 21 1HD2 ASN 21 -7.692 12.715 10.549 170 2HD2 ASN 21 2HD2 ASN 21 -9.230 13.381 10.819 171 H LEU 22 H LEU 22 -5.700 11.721 5.879 172 HA LEU 22 HA LEU 22 -3.581 13.585 5.192 173 1HB LEU 22 2HB LEU 22 -3.971 10.694 4.403 174 2HB LEU 22 1HB LEU 22 -2.503 11.645 4.154 175 HG LEU 22 HG LEU 22 -3.767 11.058 6.844 176 1HD1 LEU 22 1HD1 LEU 22 -2.816 9.046 6.082 177 2HD1 LEU 22 2HD1 LEU 22 -1.581 9.770 7.107 178 3HD1 LEU 22 3HD1 LEU 22 -1.439 9.865 5.354 179 1HD2 LEU 22 1HD2 LEU 22 -1.271 11.827 7.408 180 2HD2 LEU 22 2HD2 LEU 22 -2.588 12.994 7.286 181 3HD2 LEU 22 3HD2 LEU 22 -1.486 12.748 5.924 182 H ASN 23 H ASN 23 -2.923 14.173 3.095 183 HA ASN 23 HA ASN 23 -5.147 14.160 1.161 184 1HB ASN 23 2HB ASN 23 -4.105 16.023 0.089 185 2HB ASN 23 1HB ASN 23 -4.077 16.349 1.815 186 1HD2 ASN 23 1HD2 ASN 23 -2.251 17.404 -0.312 187 2HD2 ASN 23 2HD2 ASN 23 -0.688 16.952 0.171 188 H GLY 24 H GLY 24 -4.522 13.903 -1.149 189 1HA GLY 24 2HA GLY 24 -3.577 11.395 -1.699 190 2HA GLY 24 1HA GLY 24 -3.562 12.707 -2.869 191 H VAL 25 H VAL 25 -1.650 14.349 -1.386 192 HA VAL 25 HA VAL 25 0.755 13.167 -2.414 193 HB VAL 25 HB VAL 25 0.291 15.702 -0.848 194 1HG1 VAL 25 1HG1 VAL 25 2.577 15.203 -0.480 195 2HG1 VAL 25 2HG1 VAL 25 2.612 16.214 -1.925 196 3HG1 VAL 25 3HG1 VAL 25 2.756 14.461 -2.071 197 1HG2 VAL 25 1HG2 VAL 25 -0.745 15.874 -2.982 198 2HG2 VAL 25 2HG2 VAL 25 0.540 14.952 -3.767 199 3HG2 VAL 25 3HG2 VAL 25 0.845 16.605 -3.218 200 H GLN 26 H GLN 26 -0.305 13.971 0.950 201 HA GLN 26 HA GLN 26 2.045 13.006 2.140 202 1HB GLN 26 2HB GLN 26 -0.676 13.650 3.095 203 2HB GLN 26 1HB GLN 26 0.303 12.612 4.121 204 1HG GLN 26 2HG GLN 26 1.824 14.254 4.604 205 2HG GLN 26 1HG GLN 26 1.720 14.965 2.989 206 1HE2 GLN 26 1HE2 GLN 26 -0.189 14.610 5.971 207 2HE2 GLN 26 2HE2 GLN 26 -0.958 16.115 5.846 208 H VAL 27 H VAL 27 -1.011 11.367 1.395 209 HA VAL 27 HA VAL 27 -0.308 8.871 2.550 210 HB VAL 27 HB VAL 27 -2.128 9.413 0.179 211 1HG1 VAL 27 1HG1 VAL 27 -1.854 7.033 2.043 212 2HG1 VAL 27 2HG1 VAL 27 -1.481 7.055 0.319 213 3HG1 VAL 27 3HG1 VAL 27 -3.149 7.234 0.861 214 1HG2 VAL 27 1HG2 VAL 27 -2.703 9.172 3.155 215 2HG2 VAL 27 2HG2 VAL 27 -3.932 9.287 1.896 216 3HG2 VAL 27 3HG2 VAL 27 -2.841 10.639 2.187 217 H LYS 28 H LYS 28 0.042 10.205 -0.701 218 HA LYS 28 HA LYS 28 1.283 7.993 -1.933 219 1HB LYS 28 2HB LYS 28 0.306 9.945 -3.146 220 2HB LYS 28 1HB LYS 28 1.621 10.959 -2.560 221 1HG LYS 28 2HG LYS 28 3.228 9.376 -3.709 222 2HG LYS 28 1HG LYS 28 1.825 8.555 -4.406 223 1HD LYS 28 2HD LYS 28 1.096 10.717 -5.410 224 2HD LYS 28 1HD LYS 28 2.558 11.478 -4.782 225 1HE LYS 28 2HE LYS 28 3.966 10.074 -6.147 226 2HE LYS 28 1HE LYS 28 2.595 9.078 -6.631 227 1HZ LYS 28 1HZ LYS 28 1.644 11.283 -7.499 228 2HZ LYS 28 2HZ LYS 28 2.854 10.508 -8.404 229 3HZ LYS 28 3HZ LYS 28 3.245 11.840 -7.424 230 H ALA 29 H ALA 29 2.537 10.632 0.015 231 HA ALA 29 HA ALA 29 5.290 10.164 -0.491 232 1HB ALA 29 1HB ALA 29 5.695 11.683 1.293 233 2HB ALA 29 2HB ALA 29 4.075 11.432 1.940 234 3HB ALA 29 3HB ALA 29 4.295 12.285 0.411 235 H PHE 30 H PHE 30 3.065 9.217 2.068 236 HA PHE 30 HA PHE 30 4.960 7.907 3.641 237 1HB PHE 30 2HB PHE 30 1.982 7.488 3.416 238 2HB PHE 30 1HB PHE 30 3.009 6.818 4.682 239 HD1 PHE 30 1HD PHE 30 4.841 8.970 5.391 240 HD2 PHE 30 2HD PHE 30 0.642 9.202 4.395 241 HE1 PHE 30 1HE PHE 30 4.637 11.074 6.655 242 HE2 PHE 30 2HE PHE 30 0.472 11.290 5.686 243 HZ PHE 30 HZ PHE 30 2.460 12.218 6.801 244 H ILE 31 H ILE 31 2.903 6.952 0.947 245 HA ILE 31 HA ILE 31 3.609 4.210 1.009 246 HB ILE 31 HB ILE 31 2.517 5.961 -1.190 247 1HG1 ILE 31 2HG1 ILE 31 1.296 3.720 0.457 248 2HG1 ILE 31 1HG1 ILE 31 1.035 5.436 0.739 249 1HG2 ILE 31 1HG2 ILE 31 2.921 4.349 -2.729 250 2HG2 ILE 31 2HG2 ILE 31 2.141 3.142 -1.712 251 3HG2 ILE 31 3HG2 ILE 31 3.861 3.452 -1.539 252 1HD1 ILE 31 1HD1 ILE 31 0.344 3.966 -1.814 253 2HD1 ILE 31 2HD1 ILE 31 0.037 5.673 -1.487 254 3HD1 ILE 31 3HD1 ILE 31 -0.807 4.431 -0.566 255 H ASP 32 H ASP 32 4.836 7.029 -0.700 256 HA ASP 32 HA ASP 32 6.778 5.732 -2.238 257 1HB ASP 32 2HB ASP 32 6.036 8.134 -2.477 258 2HB ASP 32 1HB ASP 32 7.041 8.510 -1.081 259 H SER 33 H SER 33 6.878 7.010 0.996 260 HA SER 33 HA SER 33 9.633 6.511 1.537 261 1HB SER 33 2HB SER 33 7.251 6.834 3.388 262 2HB SER 33 1HB SER 33 8.940 6.816 3.905 263 HG SER 33 HG SER 33 7.824 8.600 1.996 264 H LEU 34 H LEU 34 6.659 4.715 1.918 265 HA LEU 34 HA LEU 34 7.515 2.448 3.404 266 1HB LEU 34 2HB LEU 34 5.289 3.262 1.649 267 2HB LEU 34 1HB LEU 34 5.605 1.557 1.676 268 HG LEU 34 HG LEU 34 5.611 2.719 4.333 269 1HD1 LEU 34 1HD1 LEU 34 2.975 2.698 4.198 270 2HD1 LEU 34 2HD1 LEU 34 3.268 3.100 2.513 271 3HD1 LEU 34 3HD1 LEU 34 3.860 4.160 3.787 272 1HD2 LEU 34 1HD2 LEU 34 4.316 0.452 2.866 273 2HD2 LEU 34 2HD2 LEU 34 3.901 0.814 4.543 274 3HD2 LEU 34 3HD2 LEU 34 5.550 0.399 4.107 275 H ARG 35 H ARG 35 7.211 2.940 -0.101 276 HA ARG 35 HA ARG 35 8.301 0.474 -0.941 277 1HB ARG 35 2HB ARG 35 9.078 2.735 -2.661 278 2HB ARG 35 1HB ARG 35 8.162 1.289 -3.056 279 1HG ARG 35 2HG ARG 35 6.207 2.378 -1.820 280 2HG ARG 35 1HG ARG 35 7.171 3.845 -1.835 281 1HD ARG 35 2HD ARG 35 5.854 4.108 -3.737 282 2HD ARG 35 1HD ARG 35 7.334 3.423 -4.405 283 HE ARG 35 HE ARG 35 4.746 2.100 -4.152 284 1HH1 ARG 35 1HH1 ARG 35 6.356 2.069 -6.675 285 2HH1 ARG 35 2HH1 ARG 35 7.028 0.472 -6.659 286 1HH2 ARG 35 1HH2 ARG 35 6.395 -0.014 -3.292 287 2HH2 ARG 35 2HH2 ARG 35 7.043 -0.715 -4.741 288 H ASP 36 H ASP 36 9.837 3.604 -0.360 289 HA ASP 36 HA ASP 36 12.480 2.901 -1.042 290 1HB ASP 36 2HB ASP 36 11.576 5.224 -0.843 291 2HB ASP 36 1HB ASP 36 11.597 5.001 0.895 292 H ASP 37 H ASP 37 10.632 2.740 1.907 293 HA ASP 37 HA ASP 37 12.614 0.966 3.087 294 1HB ASP 37 2HB ASP 37 13.174 3.378 3.750 295 2HB ASP 37 1HB ASP 37 11.680 3.357 4.676 296 HA PRO 38 HA PRO 38 8.443 -0.488 3.929 297 1HB PRO 38 2HB PRO 38 9.533 -3.132 4.055 298 2HB PRO 38 1HB PRO 38 8.488 -2.428 2.833 299 1HG PRO 38 2HG PRO 38 11.131 -3.157 2.489 300 2HG PRO 38 1HG PRO 38 10.187 -2.113 1.418 301 1HD PRO 38 2HD PRO 38 12.257 -1.377 3.407 302 2HD PRO 38 1HD PRO 38 11.724 -0.515 1.945 303 H SER 39 H SER 39 11.434 -1.322 5.571 304 HA SER 39 HA SER 39 10.318 -2.467 7.906 305 1HB SER 39 2HB SER 39 12.882 -0.857 7.705 306 2HB SER 39 1HB SER 39 12.472 -2.044 8.940 307 HG SER 39 HG SER 39 12.894 -2.473 6.165 308 H GLN 40 H GLN 40 10.803 0.754 6.745 309 HA GLN 40 HA GLN 40 10.155 2.079 9.229 310 1HB GLN 40 2HB GLN 40 11.775 2.899 7.422 311 2HB GLN 40 1HB GLN 40 10.346 3.312 6.482 312 1HG GLN 40 2HG GLN 40 9.577 4.797 8.285 313 2HG GLN 40 1HG GLN 40 10.979 4.361 9.259 314 1HE2 GLN 40 1HE2 GLN 40 12.346 4.380 6.301 315 2HE2 GLN 40 2HE2 GLN 40 12.760 6.019 6.158 316 H SER 41 H SER 41 8.304 0.485 6.971 317 HA SER 41 HA SER 41 6.235 2.109 6.192 318 1HB SER 41 2HB SER 41 4.870 0.083 6.146 319 2HB SER 41 1HB SER 41 6.502 -0.303 5.628 320 HG SER 41 HG SER 41 5.196 -0.865 8.059 321 H ALA 42 H ALA 42 6.667 0.588 9.361 322 HA ALA 42 HA ALA 42 4.149 1.241 10.485 323 1HB ALA 42 1HB ALA 42 5.227 0.746 12.598 324 2HB ALA 42 2HB ALA 42 6.821 0.941 11.858 325 3HB ALA 42 3HB ALA 42 5.790 -0.417 11.396 326 H ASN 43 H ASN 43 7.250 2.807 10.307 327 HA ASN 43 HA ASN 43 6.750 4.960 12.047 328 1HB ASN 43 2HB ASN 43 8.767 4.130 10.059 329 2HB ASN 43 1HB ASN 43 8.709 5.855 10.432 330 1HD2 ASN 43 1HD2 ASN 43 10.014 2.895 11.457 331 2HD2 ASN 43 2HD2 ASN 43 10.446 3.347 13.035 332 H LEU 44 H LEU 44 6.331 4.428 8.657 333 HA LEU 44 HA LEU 44 5.747 7.115 7.890 334 1HB LEU 44 2HB LEU 44 5.218 4.451 6.531 335 2HB LEU 44 1HB LEU 44 5.227 6.044 5.746 336 HG LEU 44 HG LEU 44 7.563 5.059 7.369 337 1HD1 LEU 44 1HD1 LEU 44 7.727 3.472 5.788 338 2HD1 LEU 44 2HD1 LEU 44 8.549 4.787 4.950 339 3HD1 LEU 44 3HD1 LEU 44 6.865 4.417 4.573 340 1HD2 LEU 44 1HD2 LEU 44 7.088 7.256 5.419 341 2HD2 LEU 44 2HD2 LEU 44 8.698 6.780 5.959 342 3HD2 LEU 44 3HD2 LEU 44 7.509 7.372 7.126 343 H LEU 45 H LEU 45 4.068 4.279 8.754 344 HA LEU 45 HA LEU 45 1.399 5.204 8.366 345 1HB LEU 45 2HB LEU 45 1.683 2.854 8.594 346 2HB LEU 45 1HB LEU 45 2.659 3.030 10.047 347 HG LEU 45 HG LEU 45 0.690 3.840 11.286 348 1HD1 LEU 45 1HD1 LEU 45 -0.626 3.565 8.584 349 2HD1 LEU 45 2HD1 LEU 45 -0.629 4.952 9.672 350 3HD1 LEU 45 3HD1 LEU 45 -1.566 3.516 10.073 351 1HD2 LEU 45 1HD2 LEU 45 -0.638 1.699 11.166 352 2HD2 LEU 45 2HD2 LEU 45 1.102 1.471 11.336 353 3HD2 LEU 45 3HD2 LEU 45 0.333 1.244 9.766 354 H ALA 46 H ALA 46 3.763 5.304 10.899 355 HA ALA 46 HA ALA 46 2.203 6.424 12.957 356 1HB ALA 46 1HB ALA 46 4.585 5.360 13.045 357 2HB ALA 46 2HB ALA 46 4.228 6.716 14.113 358 3HB ALA 46 3HB ALA 46 5.130 6.983 12.618 359 H GLU 47 H GLU 47 4.345 7.727 10.533 360 HA GLU 47 HA GLU 47 4.177 10.446 11.176 361 1HB GLU 47 2HB GLU 47 4.810 8.825 8.747 362 2HB GLU 47 1HB GLU 47 4.690 10.578 8.615 363 1HG GLU 47 2HG GLU 47 6.576 8.990 10.357 364 2HG GLU 47 1HG GLU 47 6.989 9.956 8.946 365 H ALA 48 H ALA 48 2.310 8.291 9.166 366 HA ALA 48 HA ALA 48 0.685 10.231 7.947 367 1HB ALA 48 1HB ALA 48 1.157 7.569 7.681 368 2HB ALA 48 2HB ALA 48 -0.166 8.419 6.900 369 3HB ALA 48 3HB ALA 48 -0.434 7.560 8.415 370 H LYS 49 H LYS 49 0.232 8.100 10.758 371 HA LYS 49 HA LYS 49 -2.334 9.031 11.463 372 1HB LYS 49 2HB LYS 49 -0.094 7.835 13.106 373 2HB LYS 49 1HB LYS 49 -1.662 8.258 13.796 374 1HG LYS 49 2HG LYS 49 -2.779 6.788 12.145 375 2HG LYS 49 1HG LYS 49 -1.209 6.342 11.486 376 1HD LYS 49 2HD LYS 49 -0.546 5.429 13.691 377 2HD LYS 49 1HD LYS 49 -2.131 5.857 14.337 378 1HE LYS 49 2HE LYS 49 -3.131 4.064 13.372 379 2HE LYS 49 1HE LYS 49 -2.277 4.300 11.849 380 1HZ LYS 49 1HZ LYS 49 -0.308 3.304 12.858 381 2HZ LYS 49 2HZ LYS 49 -1.624 2.231 12.875 382 3HZ LYS 49 3HZ LYS 49 -1.165 3.040 14.297 383 H LYS 50 H LYS 50 0.916 10.271 11.975 384 HA LYS 50 HA LYS 50 0.149 12.249 13.855 385 1HB LYS 50 2HB LYS 50 2.441 11.308 13.642 386 2HB LYS 50 1HB LYS 50 2.581 12.120 12.088 387 1HG LYS 50 2HG LYS 50 2.414 14.293 13.106 388 2HG LYS 50 1HG LYS 50 1.954 13.590 14.659 389 1HD LYS 50 2HD LYS 50 4.325 14.209 14.708 390 2HD LYS 50 1HD LYS 50 4.150 12.455 14.782 391 1HE LYS 50 2HE LYS 50 5.937 13.167 13.194 392 2HE LYS 50 1HE LYS 50 4.649 12.254 12.413 393 1HZ LYS 50 1HZ LYS 50 5.380 14.319 11.232 394 2HZ LYS 50 2HZ LYS 50 4.696 15.214 12.504 395 3HZ LYS 50 3HZ LYS 50 3.715 14.216 11.539 396 H LEU 51 H LEU 51 0.638 12.126 10.402 397 HA LEU 51 HA LEU 51 0.215 14.894 9.964 398 1HB LEU 51 2HB LEU 51 0.518 12.485 8.265 399 2HB LEU 51 1HB LEU 51 -0.381 13.825 7.564 400 HG LEU 51 HG LEU 51 1.929 14.085 6.968 401 1HD1 LEU 51 1HD1 LEU 51 2.106 16.314 7.436 402 2HD1 LEU 51 2HD1 LEU 51 1.788 16.093 9.155 403 3HD1 LEU 51 3HD1 LEU 51 0.454 16.064 8.001 404 1HD2 LEU 51 1HD2 LEU 51 3.550 14.539 9.001 405 2HD2 LEU 51 2HD2 LEU 51 3.227 12.886 8.491 406 3HD2 LEU 51 3HD2 LEU 51 2.387 13.555 9.889 407 H ASN 52 H ASN 52 -1.788 12.034 9.858 408 HA ASN 52 HA ASN 52 -4.167 13.241 8.932 409 1HB ASN 52 2HB ASN 52 -4.210 10.927 8.795 410 2HB ASN 52 1HB ASN 52 -3.469 10.705 10.372 411 1HD2 ASN 52 1HD2 ASN 52 -4.889 10.224 12.067 412 2HD2 ASN 52 2HD2 ASN 52 -6.574 10.409 11.987 413 H ASP 53 H ASP 53 -2.876 12.491 12.143 414 HA ASP 53 HA ASP 53 -5.045 13.511 13.605 415 1HB ASP 53 2HB ASP 53 -2.151 13.121 14.344 416 2HB ASP 53 1HB ASP 53 -3.344 13.718 15.491 417 H ALA 54 H ALA 54 -2.110 14.982 12.382 418 HA ALA 54 HA ALA 54 -2.412 17.515 13.590 419 1HB ALA 54 1HB ALA 54 -0.267 16.952 12.721 420 2HB ALA 54 2HB ALA 54 -0.882 18.233 11.676 421 3HB ALA 54 3HB ALA 54 -0.938 16.553 11.140 422 H GLN 55 H GLN 55 -3.515 16.077 10.563 423 HA GLN 55 HA GLN 55 -4.776 18.538 9.647 424 1HB GLN 55 2HB GLN 55 -4.564 15.728 8.576 425 2HB GLN 55 1HB GLN 55 -5.558 16.965 7.791 426 1HG GLN 55 2HG GLN 55 -3.646 18.380 7.423 427 2HG GLN 55 1HG GLN 55 -2.622 17.365 8.437 428 1HE2 GLN 55 1HE2 GLN 55 -2.662 14.922 7.619 429 2HE2 GLN 55 2HE2 GLN 55 -2.462 14.735 5.945 430 H ALA 56 H ALA 56 -5.570 16.216 11.875 431 HA ALA 56 HA ALA 56 -8.401 15.967 11.264 432 1HB ALA 56 1HB ALA 56 -7.119 14.133 12.380 433 2HB ALA 56 2HB ALA 56 -8.520 14.654 13.307 434 3HB ALA 56 3HB ALA 56 -6.907 15.182 13.777 435 HA PRO 57 HA PRO 57 -9.798 19.348 13.663 436 1HB PRO 57 2HB PRO 57 -12.168 17.966 14.579 437 2HB PRO 57 1HB PRO 57 -12.010 19.077 13.212 438 1HG PRO 57 2HG PRO 57 -12.565 16.430 12.972 439 2HG PRO 57 1HG PRO 57 -11.755 17.390 11.722 440 1HD PRO 57 2HD PRO 57 -10.542 15.589 13.789 441 2HD PRO 57 1HD PRO 57 -10.172 15.713 12.050 442 H LYS 58 H LYS 58 -8.027 17.576 15.076 443 HA LYS 58 HA LYS 58 -8.962 17.122 17.739 444 1HB LYS 58 2HB LYS 58 -6.240 17.128 16.510 445 2HB LYS 58 1HB LYS 58 -6.495 16.803 18.217 446 1HG LYS 58 2HG LYS 58 -8.046 14.946 17.586 447 2HG LYS 58 1HG LYS 58 -7.659 15.238 15.890 448 1HD LYS 58 2HD LYS 58 -5.276 14.769 16.341 449 2HD LYS 58 1HD LYS 58 -5.649 14.493 18.043 450 1HE LYS 58 2HE LYS 58 -5.522 12.336 16.954 451 2HE LYS 58 1HE LYS 58 -7.216 12.652 17.327 452 1HZ LYS 58 1HZ LYS 58 -7.720 12.571 15.185 453 2HZ LYS 58 2HZ LYS 58 -6.128 12.071 14.859 454 3HZ LYS 58 3HZ LYS 58 -6.534 13.718 14.795 455 1H VAL 1 1HT VAL 1 -16.357 -5.254 -3.864 456 2H VAL 1 2HT VAL 1 -16.095 -3.648 -3.373 457 3H VAL 1 3HT VAL 1 -17.637 -4.141 -3.890 458 HA VAL 1 HA VAL 1 -17.392 -3.911 -1.434 459 HB VAL 1 HB VAL 1 -19.158 -5.293 -2.508 460 1HG1 VAL 1 1HG1 VAL 1 -18.862 -7.680 -2.831 461 2HG1 VAL 1 2HG1 VAL 1 -17.235 -7.615 -2.155 462 3HG1 VAL 1 3HG1 VAL 1 -17.579 -6.841 -3.702 463 1HG2 VAL 1 1HG2 VAL 1 -18.823 -5.180 0.021 464 2HG2 VAL 1 2HG2 VAL 1 -18.035 -6.753 -0.098 465 3HG2 VAL 1 3HG2 VAL 1 -19.727 -6.577 -0.563 466 H ASP 2 H ASP 2 -16.516 -4.843 0.497 467 HA ASP 2 HA ASP 2 -13.811 -5.826 0.153 468 1HB ASP 2 2HB ASP 2 -14.356 -4.113 1.859 469 2HB ASP 2 1HB ASP 2 -15.354 -5.296 2.703 470 H ASN 3 H ASN 3 -13.445 -7.899 -0.164 471 HA ASN 3 HA ASN 3 -15.261 -9.945 0.769 472 1HB ASN 3 2HB ASN 3 -12.802 -10.015 -0.981 473 2HB ASN 3 1HB ASN 3 -13.709 -11.455 -0.525 474 1HD2 ASN 3 1HD2 ASN 3 -14.534 -8.151 -1.766 475 2HD2 ASN 3 2HD2 ASN 3 -15.636 -8.718 -2.925 476 H LYS 4 H LYS 4 -14.060 -12.034 1.525 477 HA LYS 4 HA LYS 4 -12.973 -11.568 4.084 478 1HB LYS 4 2HB LYS 4 -12.662 -13.975 4.179 479 2HB LYS 4 1HB LYS 4 -14.191 -13.624 3.379 480 1HG LYS 4 2HG LYS 4 -13.014 -13.828 1.168 481 2HG LYS 4 1HG LYS 4 -11.567 -14.342 2.034 482 1HD LYS 4 2HD LYS 4 -12.654 -16.347 1.368 483 2HD LYS 4 1HD LYS 4 -13.015 -16.163 3.086 484 1HE LYS 4 2HE LYS 4 -15.222 -15.459 2.674 485 2HE LYS 4 1HE LYS 4 -14.872 -15.033 0.999 486 1HZ LYS 4 1HZ LYS 4 -14.771 -17.810 2.044 487 2HZ LYS 4 2HZ LYS 4 -14.687 -17.315 0.421 488 3HZ LYS 4 3HZ LYS 4 -16.136 -17.142 1.290 489 H PHE 5 H PHE 5 -11.528 -11.565 1.026 490 HA PHE 5 HA PHE 5 -8.939 -12.481 1.520 491 1HB PHE 5 2HB PHE 5 -10.220 -10.716 -0.538 492 2HB PHE 5 1HB PHE 5 -8.470 -10.922 -0.534 493 HD1 PHE 5 1HD PHE 5 -11.460 -13.109 0.036 494 HD2 PHE 5 2HD PHE 5 -7.712 -12.573 -1.991 495 HE1 PHE 5 1HE PHE 5 -11.731 -15.321 -1.055 496 HE2 PHE 5 2HE PHE 5 -7.980 -14.782 -3.077 497 HZ PHE 5 HZ PHE 5 -9.986 -16.159 -2.607 498 H ASN 6 H ASN 6 -9.900 -10.435 3.575 499 HA ASN 6 HA ASN 6 -8.374 -8.047 3.280 500 1HB ASN 6 2HB ASN 6 -9.251 -9.512 5.782 501 2HB ASN 6 1HB ASN 6 -8.552 -7.894 5.764 502 1HD2 ASN 6 1HD2 ASN 6 -10.341 -8.154 2.940 503 2HD2 ASN 6 2HD2 ASN 6 -11.806 -7.498 3.495 504 H LYS 7 H LYS 7 -7.593 -11.167 4.761 505 HA LYS 7 HA LYS 7 -4.957 -10.500 5.559 506 1HB LYS 7 2HB LYS 7 -6.161 -12.519 6.353 507 2HB LYS 7 1HB LYS 7 -6.085 -13.192 4.724 508 1HG LYS 7 2HG LYS 7 -3.630 -13.187 4.805 509 2HG LYS 7 1HG LYS 7 -3.668 -12.439 6.402 510 1HD LYS 7 2HD LYS 7 -3.354 -14.736 6.867 511 2HD LYS 7 1HD LYS 7 -5.082 -14.492 7.117 512 1HE LYS 7 2HE LYS 7 -4.871 -16.485 5.800 513 2HE LYS 7 1HE LYS 7 -5.412 -15.227 4.692 514 1HZ LYS 7 1HZ LYS 7 -3.170 -16.802 4.440 515 2HZ LYS 7 2HZ LYS 7 -2.577 -15.273 4.881 516 3HZ LYS 7 3HZ LYS 7 -3.565 -15.440 3.508 517 H GLU 8 H GLU 8 -6.365 -11.760 2.603 518 HA GLU 8 HA GLU 8 -3.913 -12.198 1.206 519 1HB GLU 8 2HB GLU 8 -6.799 -11.927 0.276 520 2HB GLU 8 1HB GLU 8 -5.463 -12.424 -0.771 521 1HG GLU 8 2HG GLU 8 -6.443 -13.852 1.725 522 2HG GLU 8 1HG GLU 8 -6.618 -14.411 0.062 523 H ARG 9 H ARG 9 -6.297 -9.599 1.232 524 HA ARG 9 HA ARG 9 -5.328 -8.060 -0.887 525 1HB ARG 9 2HB ARG 9 -7.548 -7.801 0.220 526 2HB ARG 9 1HB ARG 9 -6.738 -7.089 1.613 527 1HG ARG 9 2HG ARG 9 -5.713 -5.405 -0.049 528 2HG ARG 9 1HG ARG 9 -6.893 -6.015 -1.205 529 1HD ARG 9 2HD ARG 9 -7.685 -3.974 -0.023 530 2HD ARG 9 1HD ARG 9 -8.730 -5.358 0.259 531 HE ARG 9 HE ARG 9 -6.636 -4.688 2.231 532 1HH1 ARG 9 1HH2 ARG 9 -9.265 -6.572 2.084 533 2HH1 ARG 9 2HH2 ARG 9 -10.173 -5.828 3.358 534 1HH2 ARG 9 1HH1 ARG 9 -8.104 -3.066 3.570 535 2HH2 ARG 9 2HH1 ARG 9 -9.515 -3.847 4.199 536 H VAL 10 H VAL 10 -4.714 -7.801 2.629 537 HA VAL 10 HA VAL 10 -3.081 -5.548 2.487 538 HB VAL 10 HB VAL 10 -3.944 -5.978 4.581 539 1HG1 VAL 10 1HG1 VAL 10 -3.756 -8.669 3.977 540 2HG1 VAL 10 2HG1 VAL 10 -4.444 -7.932 5.426 541 3HG1 VAL 10 3HG1 VAL 10 -2.750 -8.453 5.410 542 1HG2 VAL 10 1HG2 VAL 10 -2.105 -5.960 6.093 543 2HG2 VAL 10 2HG2 VAL 10 -1.497 -5.253 4.585 544 3HG2 VAL 10 3HG2 VAL 10 -1.105 -6.918 4.991 545 H ILE 11 H ILE 11 -2.234 -8.939 2.022 546 HA ILE 11 HA ILE 11 0.596 -8.503 1.986 547 HB ILE 11 HB ILE 11 -1.057 -10.645 0.612 548 1HG1 ILE 11 2HG1 ILE 11 0.029 -10.253 3.347 549 2HG1 ILE 11 1HG1 ILE 11 -1.343 -11.210 2.813 550 1HG2 ILE 11 1HG2 ILE 11 1.058 -11.847 0.332 551 2HG2 ILE 11 2HG2 ILE 11 1.936 -10.555 1.149 552 3HG2 ILE 11 3HG2 ILE 11 1.202 -10.265 -0.428 553 1HD1 ILE 11 1HD1 ILE 11 1.583 -11.975 2.818 554 2HD1 ILE 11 2HD1 ILE 11 0.400 -12.850 1.838 555 3HD1 ILE 11 3HD1 ILE 11 0.230 -12.809 3.590 556 H ALA 12 H ALA 12 -1.945 -8.472 -0.518 557 HA ALA 12 HA ALA 12 -0.271 -8.003 -2.754 558 1HB ALA 12 1HB ALA 12 -3.158 -7.283 -2.234 559 2HB ALA 12 2HB ALA 12 -2.567 -8.713 -3.074 560 3HB ALA 12 3HB ALA 12 -2.362 -7.114 -3.797 561 H ILE 13 H ILE 13 -1.903 -5.798 -0.494 562 HA ILE 13 HA ILE 13 -1.235 -3.401 -1.821 563 HB ILE 13 HB ILE 13 -1.383 -3.912 1.183 564 1HG1 ILE 13 2HG1 ILE 13 -3.526 -2.821 -0.651 565 2HG1 ILE 13 1HG1 ILE 13 -3.447 -4.500 -0.151 566 1HG2 ILE 13 1HG2 ILE 13 -1.997 -1.460 1.240 567 2HG2 ILE 13 2HG2 ILE 13 -1.506 -1.362 -0.446 568 3HG2 ILE 13 3HG2 ILE 13 -0.324 -1.769 0.783 569 1HD1 ILE 13 1HD1 ILE 13 -4.971 -3.306 1.304 570 2HD1 ILE 13 2HD1 ILE 13 -3.724 -2.105 1.623 571 3HD1 ILE 13 3HD1 ILE 13 -3.523 -3.737 2.216 572 H GLY 14 H GLY 14 0.415 -5.399 0.553 573 1HA GLY 14 2HA GLY 14 2.823 -3.947 0.780 574 2HA GLY 14 1HA GLY 14 2.611 -5.661 1.117 575 H GLU 15 H GLU 15 1.820 -6.509 -1.454 576 HA GLU 15 HA GLU 15 4.345 -6.946 -2.607 577 1HB GLU 15 2HB GLU 15 2.221 -8.357 -2.767 578 2HB GLU 15 1HB GLU 15 1.728 -7.265 -4.034 579 1HG GLU 15 2HG GLU 15 2.847 -9.172 -5.075 580 2HG GLU 15 1HG GLU 15 3.871 -7.756 -5.266 581 H ILE 16 H ILE 16 1.655 -4.754 -3.398 582 HA ILE 16 HA ILE 16 2.814 -3.706 -5.788 583 HB ILE 16 HB ILE 16 1.480 -1.793 -3.851 584 1HG1 ILE 16 2HG1 ILE 16 0.023 -3.795 -3.856 585 2HG1 ILE 16 1HG1 ILE 16 -0.740 -2.419 -4.610 586 1HG2 ILE 16 1HG2 ILE 16 0.583 -0.842 -5.936 587 2HG2 ILE 16 2HG2 ILE 16 1.373 -2.108 -6.866 588 3HG2 ILE 16 3HG2 ILE 16 2.337 -0.940 -5.973 589 1HD1 ILE 16 1HD1 ILE 16 -1.002 -4.586 -5.861 590 2HD1 ILE 16 2HD1 ILE 16 0.734 -4.529 -6.167 591 3HD1 ILE 16 3HD1 ILE 16 -0.314 -3.253 -6.792 592 H MET 17 H MET 17 3.023 -2.650 -2.447 593 HA MET 17 HA MET 17 4.849 -0.539 -2.696 594 1HB MET 17 2HB MET 17 4.397 -2.322 -0.325 595 2HB MET 17 1HB MET 17 5.044 -0.676 -0.322 596 1HG MET 17 2HG MET 17 2.306 -1.380 -1.368 597 2HG MET 17 1HG MET 17 2.593 -0.813 0.263 598 1HE MET 17 1HE MET 17 3.495 2.471 0.302 599 2HE MET 17 2HE MET 17 4.939 1.799 -0.462 600 3HE MET 17 3HE MET 17 4.055 0.836 0.740 601 H ARG 18 H ARG 18 5.375 -4.013 -2.566 602 HA ARG 18 HA ARG 18 8.146 -3.938 -1.893 603 1HB ARG 18 2HB ARG 18 6.459 -5.997 -3.249 604 2HB ARG 18 1HB ARG 18 8.156 -6.245 -2.918 605 1HG ARG 18 2HG ARG 18 6.519 -5.315 -0.632 606 2HG ARG 18 1HG ARG 18 6.178 -6.941 -1.206 607 1HD ARG 18 2HD ARG 18 8.985 -5.993 -0.610 608 2HD ARG 18 1HD ARG 18 7.957 -6.724 0.617 609 HE ARG 18 HE ARG 18 9.352 -8.109 -1.455 610 1HH1 ARG 18 1HH1 ARG 18 8.683 -9.510 1.035 611 2HH1 ARG 18 2HH1 ARG 18 7.390 -10.564 0.576 612 1HH2 ARG 18 1HH2 ARG 18 6.686 -8.858 -2.351 613 2HH2 ARG 18 2HH2 ARG 18 6.260 -10.196 -1.339 614 H LEU 19 H LEU 19 6.314 -3.854 -4.884 615 HA LEU 19 HA LEU 19 8.401 -4.240 -6.723 616 1HB LEU 19 2HB LEU 19 5.880 -2.631 -7.049 617 2HB LEU 19 1HB LEU 19 6.896 -3.185 -8.346 618 HG LEU 19 HG LEU 19 5.534 -5.023 -6.375 619 1HD1 LEU 19 1HD1 LEU 19 4.729 -4.201 -9.174 620 2HD1 LEU 19 2HD1 LEU 19 3.851 -3.849 -7.684 621 3HD1 LEU 19 3HD1 LEU 19 3.980 -5.505 -8.253 622 1HD2 LEU 19 1HD2 LEU 19 6.492 -6.728 -7.486 623 2HD2 LEU 19 2HD2 LEU 19 7.643 -5.516 -8.037 624 3HD2 LEU 19 3HD2 LEU 19 6.278 -5.956 -9.052 625 HA PRO 20 HA PRO 20 10.352 -0.265 -5.988 626 1HB PRO 20 2HB PRO 20 12.621 -1.224 -7.483 627 2HB PRO 20 1HB PRO 20 12.476 -0.985 -5.740 628 1HG PRO 20 2HG PRO 20 12.749 -3.408 -6.974 629 2HG PRO 20 1HG PRO 20 12.044 -3.164 -5.366 630 1HD PRO 20 2HD PRO 20 10.665 -3.598 -7.985 631 2HD PRO 20 1HD PRO 20 10.241 -4.190 -6.362 632 H ASN 21 H ASN 21 9.422 -1.715 -8.971 633 HA ASN 21 HA ASN 21 10.460 0.502 -10.583 634 1HB ASN 21 2HB ASN 21 8.906 -1.929 -11.455 635 2HB ASN 21 1HB ASN 21 9.698 -0.770 -12.504 636 1HD2 ASN 21 1HD2 ASN 21 10.227 -3.743 -12.058 637 2HD2 ASN 21 2HD2 ASN 21 11.881 -3.822 -11.688 638 H LEU 22 H LEU 22 7.505 -0.440 -9.008 639 HA LEU 22 HA LEU 22 5.732 0.995 -10.751 640 1HB LEU 22 2HB LEU 22 5.335 0.207 -7.867 641 2HB LEU 22 1HB LEU 22 4.086 0.841 -8.913 642 HG LEU 22 HG LEU 22 5.508 -1.809 -9.068 643 1HD1 LEU 22 1HD1 LEU 22 3.549 -1.855 -7.680 644 2HD1 LEU 22 2HD1 LEU 22 3.063 -2.552 -9.230 645 3HD1 LEU 22 3HD1 LEU 22 2.632 -0.891 -8.834 646 1HD2 LEU 22 1HD2 LEU 22 4.016 -2.032 -11.156 647 2HD2 LEU 22 2HD2 LEU 22 5.538 -1.160 -11.305 648 3HD2 LEU 22 3HD2 LEU 22 4.008 -0.278 -11.150 649 H ASN 23 H ASN 23 4.681 2.926 -10.398 650 HA ASN 23 HA ASN 23 6.260 5.011 -9.105 651 1HB ASN 23 2HB ASN 23 5.402 5.950 -11.010 652 2HB ASN 23 1HB ASN 23 4.139 4.761 -11.148 653 1HD2 ASN 23 1HD2 ASN 23 2.413 6.158 -11.581 654 2HD2 ASN 23 2HD2 ASN 23 1.881 7.349 -10.498 655 H SER 24 H SER 24 5.334 6.352 -7.375 656 HA SER 24 HA SER 24 4.053 4.849 -5.357 657 1HB SER 24 2HB SER 24 5.440 6.913 -4.977 658 2HB SER 24 1HB SER 24 4.085 7.867 -5.567 659 HG SER 24 HG SER 24 4.444 7.080 -3.139 660 H LEU 25 H LEU 25 2.848 7.160 -7.711 661 HA LEU 25 HA LEU 25 0.130 7.080 -6.868 662 1HB LEU 25 2HB LEU 25 1.661 8.453 -8.887 663 2HB LEU 25 1HB LEU 25 0.204 7.797 -9.579 664 HG LEU 25 HG LEU 25 0.361 9.541 -7.155 665 1HD1 LEU 25 1HD1 LEU 25 0.737 10.680 -9.361 666 2HD1 LEU 25 2HD1 LEU 25 -0.716 11.228 -8.527 667 3HD1 LEU 25 3HD1 LEU 25 -0.846 10.096 -9.873 668 1HD2 LEU 25 1HD2 LEU 25 -2.266 9.412 -7.954 669 2HD2 LEU 25 2HD2 LEU 25 -1.556 8.471 -6.641 670 3HD2 LEU 25 3HD2 LEU 25 -1.686 7.772 -8.255 671 H GLN 26 H GLN 26 2.103 5.267 -9.180 672 HA GLN 26 HA GLN 26 -0.021 3.873 -10.470 673 1HB GLN 26 2HB GLN 26 2.897 3.522 -10.192 674 2HB GLN 26 1HB GLN 26 1.999 2.039 -10.452 675 1HG GLN 26 2HG GLN 26 1.007 2.966 -12.498 676 2HG GLN 26 1HG GLN 26 1.859 4.491 -12.237 677 1HE2 GLN 26 1HE2 GLN 26 3.814 1.931 -11.170 678 2HE2 GLN 26 2HE2 GLN 26 4.753 1.755 -12.572 679 H VAL 27 H VAL 27 1.894 3.382 -7.632 680 HA VAL 27 HA VAL 27 0.981 0.827 -6.916 681 HB VAL 27 HB VAL 27 2.381 3.054 -5.465 682 1HG1 VAL 27 1HG1 VAL 27 1.379 2.127 -3.592 683 2HG1 VAL 27 2HG1 VAL 27 2.793 1.090 -3.752 684 3HG1 VAL 27 3HG1 VAL 27 1.222 0.532 -4.327 685 1HG2 VAL 27 1HG2 VAL 27 3.788 0.595 -5.511 686 2HG2 VAL 27 2HG2 VAL 27 4.126 2.040 -6.461 687 3HG2 VAL 27 3HG2 VAL 27 3.067 0.788 -7.108 688 H VAL 28 H VAL 28 -0.022 4.076 -6.014 689 HA VAL 28 HA VAL 28 -2.085 3.350 -4.255 690 HB VAL 28 HB VAL 28 -1.833 5.769 -6.068 691 1HG1 VAL 28 1HG1 VAL 28 -4.037 4.873 -4.615 692 2HG1 VAL 28 2HG1 VAL 28 -3.786 6.511 -5.213 693 3HG1 VAL 28 3HG1 VAL 28 -3.305 6.087 -3.569 694 1HG2 VAL 28 1HG2 VAL 28 -0.356 6.617 -4.568 695 2HG2 VAL 28 2HG2 VAL 28 -0.242 4.996 -3.884 696 3HG2 VAL 28 3HG2 VAL 28 -1.381 6.159 -3.204 697 H ALA 29 H ALA 29 -1.828 3.533 -7.759 698 HA ALA 29 HA ALA 29 -4.537 3.414 -8.475 699 1HB ALA 29 1HB ALA 29 -2.658 1.846 -10.149 700 2HB ALA 29 2HB ALA 29 -2.146 3.506 -9.830 701 3HB ALA 29 3HB ALA 29 -3.708 3.196 -10.592 702 H PHE 30 H PHE 30 -2.138 0.859 -7.835 703 HA PHE 30 HA PHE 30 -3.961 -1.255 -8.239 704 1HB PHE 30 2HB PHE 30 -1.227 -1.111 -6.921 705 2HB PHE 30 1HB PHE 30 -2.094 -2.604 -7.290 706 HD1 PHE 30 1HD PHE 30 -3.138 -2.520 -9.921 707 HD2 PHE 30 2HD PHE 30 0.446 -0.551 -8.487 708 HE1 PHE 30 1HE PHE 30 -2.281 -2.326 -12.212 709 HE2 PHE 30 2HE PHE 30 1.253 -0.391 -10.781 710 HZ PHE 30 HZ PHE 30 -0.097 -1.280 -12.657 711 H ILE 31 H ILE 31 -2.672 0.410 -5.346 712 HA ILE 31 HA ILE 31 -3.895 -1.185 -3.387 713 HB ILE 31 HB ILE 31 -3.316 1.790 -3.308 714 1HG1 ILE 31 2HG1 ILE 31 -1.662 -0.467 -2.147 715 2HG1 ILE 31 1HG1 ILE 31 -1.364 0.167 -3.752 716 1HG2 ILE 31 1HG2 ILE 31 -4.842 1.233 -1.522 717 2HG2 ILE 31 2HG2 ILE 31 -3.234 1.347 -0.809 718 3HG2 ILE 31 3HG2 ILE 31 -3.941 -0.233 -1.141 719 1HD1 ILE 31 1HD1 ILE 31 0.063 1.256 -1.985 720 2HD1 ILE 31 2HD1 ILE 31 -1.421 1.869 -1.241 721 3HD1 ILE 31 3HD1 ILE 31 -0.964 2.392 -2.864 722 H ASN 32 H ASN 32 -5.057 1.764 -4.980 723 HA ASN 32 HA ASN 32 -7.510 2.017 -3.673 724 1HB ASN 32 2HB ASN 32 -6.357 3.647 -5.280 725 2HB ASN 32 1HB ASN 32 -7.055 2.698 -6.586 726 1HD2 ASN 32 1HD2 ASN 32 -7.856 5.288 -6.488 727 2HD2 ASN 32 2HD2 ASN 32 -9.437 5.428 -5.887 728 H SER 33 H SER 33 -6.554 -0.109 -6.369 729 HA SER 33 HA SER 33 -9.232 -0.849 -7.007 730 1HB SER 33 2HB SER 33 -6.544 -1.652 -7.851 731 2HB SER 33 1HB SER 33 -7.839 -2.826 -8.088 732 HG SER 33 HG SER 33 -8.943 -0.760 -8.939 733 H LEU 34 H LEU 34 -6.798 -1.884 -4.749 734 HA LEU 34 HA LEU 34 -7.943 -4.409 -4.071 735 1HB LEU 34 2HB LEU 34 -6.430 -2.559 -2.186 736 2HB LEU 34 1HB LEU 34 -6.571 -4.302 -2.080 737 HG LEU 34 HG LEU 34 -5.032 -2.706 -4.117 738 1HD1 LEU 34 1HD1 LEU 34 -3.388 -4.697 -3.335 739 2HD1 LEU 34 2HD1 LEU 34 -4.334 -4.474 -1.870 740 3HD1 LEU 34 3HD1 LEU 34 -3.444 -3.113 -2.568 741 1HD2 LEU 34 1HD2 LEU 34 -6.180 -5.409 -4.282 742 2HD2 LEU 34 2HD2 LEU 34 -4.533 -5.229 -4.873 743 3HD2 LEU 34 3HD2 LEU 34 -5.833 -4.258 -5.551 744 H ARG 35 H ARG 35 -8.352 -1.100 -3.159 745 HA ARG 35 HA ARG 35 -10.354 -1.324 -1.128 746 1HB ARG 35 2HB ARG 35 -8.938 0.725 -2.488 747 2HB ARG 35 1HB ARG 35 -10.640 1.044 -2.778 748 1HG ARG 35 2HG ARG 35 -10.919 1.807 -0.683 749 2HG ARG 35 1HG ARG 35 -10.208 0.353 0.011 750 1HD ARG 35 2HD ARG 35 -7.954 1.508 -0.875 751 2HD ARG 35 1HD ARG 35 -8.929 2.961 -0.676 752 HE ARG 35 HE ARG 35 -7.809 1.359 1.419 753 1HH1 ARG 35 1HH1 ARG 35 -10.681 1.107 2.080 754 2HH1 ARG 35 2HH1 ARG 35 -11.003 2.534 3.006 755 1HH2 ARG 35 1HH2 ARG 35 -8.150 4.183 1.940 756 2HH2 ARG 35 2HH2 ARG 35 -9.571 4.276 2.926 757 H ASP 36 H ASP 36 -10.478 -0.872 -4.631 758 HA ASP 36 HA ASP 36 -13.246 -0.610 -4.949 759 1HB ASP 36 2HB ASP 36 -11.139 -1.777 -6.798 760 2HB ASP 36 1HB ASP 36 -12.793 -1.430 -7.290 761 H ASP 37 H ASP 37 -11.185 -3.450 -4.732 762 HA ASP 37 HA ASP 37 -13.172 -5.150 -3.669 763 1HB ASP 37 2HB ASP 37 -13.043 -5.080 -6.612 764 2HB ASP 37 1HB ASP 37 -12.830 -6.691 -5.926 765 HA PRO 38 HA PRO 38 -9.121 -6.838 -2.872 766 1HB PRO 38 2HB PRO 38 -10.299 -8.454 -0.796 767 2HB PRO 38 1HB PRO 38 -9.253 -7.047 -0.634 768 1HG PRO 38 2HG PRO 38 -11.899 -7.149 0.071 769 2HG PRO 38 1HG PRO 38 -10.977 -5.673 -0.235 770 1HD PRO 38 2HD PRO 38 -12.944 -7.054 -1.995 771 2HD PRO 38 1HD PRO 38 -12.543 -5.326 -1.867 772 H SER 39 H SER 39 -11.880 -8.232 -4.105 773 HA SER 39 HA SER 39 -11.376 -11.007 -4.008 774 1HB SER 39 2HB SER 39 -12.753 -9.525 -6.260 775 2HB SER 39 1HB SER 39 -13.009 -11.193 -5.751 776 HG SER 39 HG SER 39 -13.936 -8.814 -4.673 777 H GLN 40 H GLN 40 -10.581 -8.489 -6.374 778 HA GLN 40 HA GLN 40 -8.742 -10.339 -7.680 779 1HB GLN 40 2HB GLN 40 -9.185 -7.797 -9.057 780 2HB GLN 40 1HB GLN 40 -9.240 -9.428 -9.668 781 1HG GLN 40 2HG GLN 40 -11.464 -8.892 -9.923 782 2HG GLN 40 1HG GLN 40 -11.523 -9.527 -8.286 783 1HE2 GLN 40 1HE2 GLN 40 -9.998 -6.961 -7.374 784 2HE2 GLN 40 2HE2 GLN 40 -11.219 -5.785 -7.316 785 H SER 41 H SER 41 -8.230 -8.889 -5.146 786 HA SER 41 HA SER 41 -6.591 -6.673 -5.538 787 1HB SER 41 2HB SER 41 -7.299 -7.395 -3.293 788 2HB SER 41 1HB SER 41 -6.406 -8.899 -3.464 789 HG SER 41 HG SER 41 -4.670 -7.040 -3.949 790 H ALA 42 H ALA 42 -6.032 -10.051 -5.811 791 HA ALA 42 HA ALA 42 -3.205 -10.011 -6.169 792 1HB ALA 42 1HB ALA 42 -5.168 -12.091 -7.138 793 2HB ALA 42 2HB ALA 42 -4.643 -11.976 -5.455 794 3HB ALA 42 3HB ALA 42 -3.467 -12.322 -6.724 795 H ASN 43 H ASN 43 -5.988 -9.579 -8.214 796 HA ASN 43 HA ASN 43 -4.832 -10.129 -10.728 797 1HB ASN 43 2HB ASN 43 -7.265 -10.007 -10.027 798 2HB ASN 43 1HB ASN 43 -7.095 -8.264 -10.249 799 1HD2 ASN 43 1HD2 ASN 43 -6.114 -7.641 -12.496 800 2HD2 ASN 43 2HD2 ASN 43 -6.627 -8.558 -13.829 801 H LEU 44 H LEU 44 -5.656 -7.024 -9.170 802 HA LEU 44 HA LEU 44 -4.264 -5.643 -11.200 803 1HB LEU 44 2HB LEU 44 -4.894 -3.589 -10.183 804 2HB LEU 44 1HB LEU 44 -6.270 -4.663 -10.180 805 HG LEU 44 HG LEU 44 -5.936 -3.313 -8.144 806 1HD1 LEU 44 1HD1 LEU 44 -7.061 -5.680 -8.443 807 2HD1 LEU 44 2HD1 LEU 44 -7.007 -4.824 -6.899 808 3HD1 LEU 44 3HD1 LEU 44 -5.824 -6.101 -7.261 809 1HD2 LEU 44 1HD2 LEU 44 -4.255 -3.549 -6.686 810 2HD2 LEU 44 2HD2 LEU 44 -3.384 -3.881 -8.164 811 3HD2 LEU 44 3HD2 LEU 44 -3.941 -5.213 -7.145 812 H LEU 45 H LEU 45 -3.557 -7.027 -8.161 813 HA LEU 45 HA LEU 45 -1.077 -5.712 -7.661 814 1HB LEU 45 2HB LEU 45 -1.847 -7.010 -5.834 815 2HB LEU 45 1HB LEU 45 -2.294 -8.355 -6.875 816 HG LEU 45 HG LEU 45 0.069 -8.839 -7.314 817 1HD1 LEU 45 1HD1 LEU 45 0.601 -6.555 -5.399 818 2HD1 LEU 45 2HD1 LEU 45 0.905 -6.531 -7.128 819 3HD1 LEU 45 3HD1 LEU 45 1.817 -7.615 -6.103 820 1HD2 LEU 45 1HD2 LEU 45 0.651 -9.109 -4.675 821 2HD2 LEU 45 2HD2 LEU 45 -0.455 -10.167 -5.542 822 3HD2 LEU 45 3HD2 LEU 45 -1.085 -8.833 -4.585 823 H ALA 46 H ALA 46 -2.338 -8.309 -9.545 824 HA ALA 46 HA ALA 46 0.107 -9.381 -10.526 825 1HB ALA 46 1HB ALA 46 -2.700 -9.856 -10.933 826 2HB ALA 46 2HB ALA 46 -1.346 -10.864 -11.443 827 3HB ALA 46 3HB ALA 46 -1.961 -9.606 -12.513 828 H GLU 47 H GLU 47 -2.168 -6.923 -11.606 829 HA GLU 47 HA GLU 47 -0.909 -6.125 -13.988 830 1HB GLU 47 2HB GLU 47 -2.613 -4.539 -12.041 831 2HB GLU 47 1HB GLU 47 -2.139 -3.971 -13.637 832 1HG GLU 47 2HG GLU 47 -3.877 -6.335 -12.957 833 2HG GLU 47 1HG GLU 47 -4.363 -4.850 -13.750 834 H ALA 48 H ALA 48 -0.426 -5.364 -10.619 835 HA ALA 48 HA ALA 48 1.291 -3.126 -10.935 836 1HB ALA 48 1HB ALA 48 1.187 -3.112 -8.674 837 2HB ALA 48 2HB ALA 48 1.599 -4.823 -8.562 838 3HB ALA 48 3HB ALA 48 -0.066 -4.334 -8.885 839 H LYS 49 H LYS 49 1.808 -6.529 -10.176 840 HA LYS 49 HA LYS 49 4.623 -6.378 -10.077 841 1HB LYS 49 2HB LYS 49 2.635 -8.606 -10.393 842 2HB LYS 49 1HB LYS 49 4.369 -8.926 -10.435 843 1HG LYS 49 2HG LYS 49 4.517 -7.699 -8.217 844 2HG LYS 49 1HG LYS 49 2.753 -7.712 -8.186 845 1HD LYS 49 2HD LYS 49 4.437 -10.218 -8.490 846 2HD LYS 49 1HD LYS 49 3.858 -9.627 -6.937 847 1HE LYS 49 2HE LYS 49 1.602 -9.639 -8.658 848 2HE LYS 49 1HE LYS 49 2.438 -11.169 -8.926 849 1HZ LYS 49 1HZ LYS 49 1.623 -10.071 -6.292 850 2HZ LYS 49 2HZ LYS 49 2.454 -11.533 -6.535 851 3HZ LYS 49 3HZ LYS 49 0.866 -11.347 -7.113 852 H LYS 50 H LYS 50 2.268 -6.831 -12.578 853 HA LYS 50 HA LYS 50 4.037 -7.431 -14.736 854 1HB LYS 50 2HB LYS 50 1.225 -6.407 -14.554 855 2HB LYS 50 1HB LYS 50 2.054 -6.561 -16.097 856 1HG LYS 50 2HG LYS 50 2.241 -8.917 -15.901 857 2HG LYS 50 1HG LYS 50 1.901 -8.888 -14.175 858 1HD LYS 50 2HD LYS 50 -0.054 -9.701 -15.459 859 2HD LYS 50 1HD LYS 50 -0.424 -8.194 -14.627 860 1HE LYS 50 2HE LYS 50 -0.147 -6.920 -16.667 861 2HE LYS 50 1HE LYS 50 0.459 -8.338 -17.525 862 1HZ LYS 50 1HZ LYS 50 -2.261 -8.041 -16.369 863 2HZ LYS 50 2HZ LYS 50 -1.681 -9.406 -17.199 864 3HZ LYS 50 3HZ LYS 50 -1.871 -7.927 -18.016 865 H LEU 51 H LEU 51 2.640 -4.489 -13.353 866 HA LEU 51 HA LEU 51 3.642 -2.732 -15.374 867 1HB LEU 51 2HB LEU 51 2.172 -2.475 -12.867 868 2HB LEU 51 1HB LEU 51 3.392 -1.220 -13.038 869 HG LEU 51 HG LEU 51 1.174 -0.625 -14.030 870 1HD1 LEU 51 1HD1 LEU 51 2.363 -0.119 -16.377 871 2HD1 LEU 51 2HD1 LEU 51 3.789 -0.636 -15.471 872 3HD1 LEU 51 3HD1 LEU 51 2.811 0.725 -14.892 873 1HD2 LEU 51 1HD2 LEU 51 1.543 -3.215 -15.272 874 2HD2 LEU 51 2HD2 LEU 51 1.408 -1.978 -16.523 875 3HD2 LEU 51 3HD2 LEU 51 0.130 -2.158 -15.320 876 H ASN 52 H ASN 52 4.725 -3.822 -12.263 877 HA ASN 52 HA ASN 52 7.073 -2.244 -12.081 878 1HB ASN 52 2HB ASN 52 6.279 -3.410 -10.136 879 2HB ASN 52 1HB ASN 52 6.356 -4.960 -10.955 880 1HD2 ASN 52 1HD2 ASN 52 8.555 -5.728 -11.563 881 2HD2 ASN 52 2HD2 ASN 52 9.890 -5.257 -10.627 882 H ASP 53 H ASP 53 6.195 -5.311 -13.472 883 HA ASP 53 HA ASP 53 8.801 -6.022 -14.437 884 1HB ASP 53 2HB ASP 53 6.031 -6.874 -15.305 885 2HB ASP 53 1HB ASP 53 7.504 -7.548 -15.986 886 H ALA 54 H ALA 54 6.113 -4.161 -15.667 887 HA ALA 54 HA ALA 54 6.970 -3.841 -18.340 888 1HB ALA 54 1HB ALA 54 5.357 -1.795 -16.855 889 2HB ALA 54 2HB ALA 54 4.675 -3.374 -17.242 890 3HB ALA 54 3HB ALA 54 5.222 -2.309 -18.536 891 H GLN 55 H GLN 55 7.536 -2.011 -15.373 892 HA GLN 55 HA GLN 55 9.174 -0.029 -16.758 893 1HB GLN 55 2HB GLN 55 8.320 -0.350 -13.921 894 2HB GLN 55 1HB GLN 55 9.303 0.980 -14.495 895 1HG GLN 55 2HG GLN 55 7.553 1.921 -15.696 896 2HG GLN 55 1HG GLN 55 6.728 0.376 -15.896 897 1HE2 GLN 55 1HE2 GLN 55 6.232 -0.621 -13.509 898 2HE2 GLN 55 2HE2 GLN 55 5.430 0.470 -12.485 899 H ALA 56 H ALA 56 9.628 -3.067 -15.475 900 HA ALA 56 HA ALA 56 12.063 -2.782 -14.044 901 1HB ALA 56 1HB ALA 56 11.017 -5.168 -15.579 902 2HB ALA 56 2HB ALA 56 10.722 -4.824 -13.875 903 3HB ALA 56 3HB ALA 56 12.350 -5.201 -14.431 904 HA PRO 57 HA PRO 57 15.042 -2.422 -17.212 905 1HB PRO 57 2HB PRO 57 17.034 -3.980 -15.830 906 2HB PRO 57 1HB PRO 57 16.835 -2.223 -15.845 907 1HG PRO 57 2HG PRO 57 16.468 -3.806 -13.644 908 2HG PRO 57 1HG PRO 57 15.743 -2.205 -13.869 909 1HD PRO 57 2HD PRO 57 14.518 -4.908 -14.308 910 2HD PRO 57 1HD PRO 57 13.807 -3.452 -13.572 911 H LYS 58 H LYS 58 16.904 -3.799 -18.292 912 HA LYS 58 HA LYS 58 15.615 -6.018 -19.611 913 1HB LYS 58 2HB LYS 58 18.204 -4.584 -19.985 914 2HB LYS 58 1HB LYS 58 17.759 -5.978 -20.954 915 1HG LYS 58 2HG LYS 58 16.128 -4.833 -22.100 916 2HG LYS 58 1HG LYS 58 15.709 -3.828 -20.713 917 1HD LYS 58 2HD LYS 58 17.699 -2.467 -21.030 918 2HD LYS 58 1HD LYS 58 18.253 -3.517 -22.338 919 1HE LYS 58 2HE LYS 58 16.284 -2.913 -23.682 920 2HE LYS 58 1HE LYS 58 15.680 -1.904 -22.367 921 1HZ LYS 58 1HZ LYS 58 16.805 -0.521 -23.929 922 2HZ LYS 58 2HZ LYS 58 18.184 -1.514 -23.913 923 3HZ LYS 58 3HZ LYS 58 17.767 -0.613 -22.535 Start of MODEL 33 1 1H VAL 1 1HT VAL 1 12.639 -11.271 10.244 2 2H VAL 1 2HT VAL 1 11.179 -11.999 9.771 3 3H VAL 1 3HT VAL 1 11.706 -10.572 9.014 4 HA VAL 1 HA VAL 1 13.485 -11.655 7.942 5 HB VAL 1 HB VAL 1 13.852 -14.125 8.344 6 1HG1 VAL 1 1HG1 VAL 1 15.143 -13.797 10.389 7 2HG1 VAL 1 2HG1 VAL 1 14.200 -12.362 10.791 8 3HG1 VAL 1 3HG1 VAL 1 15.266 -12.351 9.386 9 1HG2 VAL 1 1HG2 VAL 1 12.013 -13.594 10.711 10 2HG2 VAL 1 2HG2 VAL 1 12.973 -15.055 10.484 11 3HG2 VAL 1 3HG2 VAL 1 11.676 -14.671 9.356 12 H ASP 2 H ASP 2 10.325 -12.960 8.755 13 HA ASP 2 HA ASP 2 9.931 -14.252 6.199 14 1HB ASP 2 2HB ASP 2 7.765 -14.844 7.040 15 2HB ASP 2 1HB ASP 2 8.901 -15.022 8.372 16 H ASN 3 H ASN 3 7.269 -13.522 5.663 17 HA ASN 3 HA ASN 3 7.700 -11.027 4.241 18 1HB ASN 3 2HB ASN 3 5.302 -12.877 4.292 19 2HB ASN 3 1HB ASN 3 5.548 -11.539 3.172 20 1HD2 ASN 3 1HD2 ASN 3 8.150 -11.800 2.331 21 2HD2 ASN 3 2HD2 ASN 3 8.407 -13.320 1.621 22 H LYS 4 H LYS 4 7.076 -11.340 7.335 23 HA LYS 4 HA LYS 4 4.620 -10.121 7.895 24 1HB LYS 4 2HB LYS 4 6.135 -11.135 9.597 25 2HB LYS 4 1HB LYS 4 7.204 -9.744 9.433 26 1HG LYS 4 2HG LYS 4 5.362 -8.247 10.127 27 2HG LYS 4 1HG LYS 4 4.289 -9.640 10.280 28 1HD LYS 4 2HD LYS 4 5.890 -10.603 11.968 29 2HD LYS 4 1HD LYS 4 6.797 -9.090 11.897 30 1HE LYS 4 2HE LYS 4 5.001 -7.839 12.809 31 2HE LYS 4 1HE LYS 4 3.834 -9.123 12.489 32 1HZ LYS 4 1HZ LYS 4 4.796 -10.468 14.165 33 2HZ LYS 4 2HZ LYS 4 4.568 -8.930 14.850 34 3HZ LYS 4 3HZ LYS 4 6.118 -9.423 14.357 35 H PHE 5 H PHE 5 7.774 -8.643 7.199 36 HA PHE 5 HA PHE 5 6.987 -5.976 7.571 37 1HB PHE 5 2HB PHE 5 9.058 -5.355 6.668 38 2HB PHE 5 1HB PHE 5 9.376 -6.925 7.395 39 HD1 PHE 5 1HD PHE 5 9.295 -8.997 5.886 40 HD2 PHE 5 2HD PHE 5 9.421 -4.987 4.349 41 HE1 PHE 5 1HE PHE 5 10.058 -9.863 3.693 42 HE2 PHE 5 2HE PHE 5 10.190 -5.852 2.161 43 HZ PHE 5 HZ PHE 5 10.504 -8.290 1.828 44 H ASN 6 H ASN 6 6.925 -8.124 4.738 45 HA ASN 6 HA ASN 6 6.155 -6.194 2.804 46 1HB ASN 6 2HB ASN 6 6.948 -8.518 2.301 47 2HB ASN 6 1HB ASN 6 5.421 -9.127 2.931 48 1HD2 ASN 6 1HD2 ASN 6 4.178 -9.753 1.170 49 2HD2 ASN 6 2HD2 ASN 6 3.986 -8.843 -0.261 50 H LYS 7 H LYS 7 4.403 -8.386 4.913 51 HA LYS 7 HA LYS 7 1.794 -7.811 4.086 52 1HB LYS 7 2HB LYS 7 2.706 -9.712 5.591 53 2HB LYS 7 1HB LYS 7 2.584 -8.549 6.910 54 1HG LYS 7 2HG LYS 7 0.234 -8.323 6.633 55 2HG LYS 7 1HG LYS 7 0.270 -9.134 5.069 56 1HD LYS 7 2HD LYS 7 1.367 -11.052 6.710 57 2HD LYS 7 1HD LYS 7 0.191 -10.289 7.781 58 1HE LYS 7 2HE LYS 7 -0.413 -11.323 4.993 59 2HE LYS 7 1HE LYS 7 -0.807 -12.171 6.489 60 1HZ LYS 7 1HZ LYS 7 -1.707 -9.397 6.161 61 2HZ LYS 7 2HZ LYS 7 -2.423 -10.669 7.029 62 3HZ LYS 7 3HZ LYS 7 -2.543 -10.619 5.335 63 H GLU 8 H GLU 8 3.888 -6.458 6.586 64 HA GLU 8 HA GLU 8 1.949 -4.560 7.439 65 1HB GLU 8 2HB GLU 8 3.620 -5.332 9.000 66 2HB GLU 8 1HB GLU 8 4.920 -4.723 7.973 67 1HG GLU 8 2HG GLU 8 4.474 -3.149 9.821 68 2HG GLU 8 1HG GLU 8 4.058 -2.410 8.280 69 H LEU 9 H LEU 9 4.601 -4.519 5.192 70 HA LEU 9 HA LEU 9 4.748 -1.733 4.632 71 1HB LEU 9 2HB LEU 9 6.483 -3.211 3.822 72 2HB LEU 9 1HB LEU 9 5.313 -4.186 2.940 73 HG LEU 9 HG LEU 9 4.763 -1.991 1.654 74 1HD1 LEU 9 1HD1 LEU 9 6.022 -0.174 1.924 75 2HD1 LEU 9 2HD1 LEU 9 7.509 -1.082 1.880 76 3HD1 LEU 9 3HD1 LEU 9 6.651 -0.886 3.417 77 1HD2 LEU 9 1HD2 LEU 9 5.916 -3.936 0.729 78 2HD2 LEU 9 2HD2 LEU 9 7.452 -3.306 1.316 79 3HD2 LEU 9 3HD2 LEU 9 6.544 -2.424 0.081 80 H GLY 10 H GLY 10 2.710 -4.354 3.484 81 1HA GLY 10 2HA GLY 10 1.302 -2.735 1.636 82 2HA GLY 10 1HA GLY 10 0.871 -4.340 2.172 83 H TRP 11 H TRP 11 0.748 -3.971 4.915 84 HA TRP 11 HA TRP 11 -1.802 -2.852 5.035 85 1HB TRP 11 2HB TRP 11 -0.699 -4.748 6.498 86 2HB TRP 11 1HB TRP 11 -0.498 -3.375 7.595 87 HD1 TRP 11 HD TRP 11 -2.387 -3.996 9.228 88 HE1 TRP 11 1HE TRP 11 -4.959 -4.068 9.083 89 HE3 TRP 11 3HE TRP 11 -3.072 -3.561 4.157 90 HZ2 TRP 11 2HZ TRP 11 -7.007 -3.907 7.114 91 HZ3 TRP 11 3HZ TRP 11 -5.283 -3.492 3.184 92 HH2 TRP 11 HH TRP 11 -7.296 -3.683 4.658 93 H ALA 12 H ALA 12 1.155 -1.674 6.496 94 HA ALA 12 HA ALA 12 -0.093 0.495 7.697 95 1HB ALA 12 1HB ALA 12 2.534 -0.424 7.364 96 2HB ALA 12 2HB ALA 12 2.007 0.899 8.382 97 3HB ALA 12 3HB ALA 12 2.540 1.221 6.732 98 H THR 13 H THR 13 1.044 -0.045 4.388 99 HA THR 13 HA THR 13 0.720 2.516 3.256 100 HB THR 13 HB THR 13 0.459 -0.279 2.218 101 HG1 THR 13 1HG THR 13 2.504 0.259 2.525 102 1HG2 THR 13 1HG2 THR 13 -0.992 0.833 0.741 103 2HG2 THR 13 2HG2 THR 13 0.571 0.899 -0.069 104 3HG2 THR 13 3HG2 THR 13 -0.039 2.317 0.783 105 H TRP 14 H TRP 14 -1.569 -0.157 3.688 106 HA TRP 14 HA TRP 14 -3.844 1.113 2.571 107 1HB TRP 14 2HB TRP 14 -3.512 -1.348 3.080 108 2HB TRP 14 1HB TRP 14 -3.831 -0.960 4.757 109 HD1 TRP 14 HD TRP 14 -6.273 -0.643 5.489 110 HE1 TRP 14 1HE TRP 14 -8.541 -0.866 4.296 111 HE3 TRP 14 3HE TRP 14 -4.725 -0.753 0.615 112 HZ2 TRP 14 2HZ TRP 14 -9.548 -1.075 1.634 113 HZ3 TRP 14 3HZ TRP 14 -6.333 -0.970 -1.181 114 HH2 TRP 14 HH TRP 14 -8.718 -1.139 -0.693 115 H GLU 15 H GLU 15 -2.713 0.757 5.915 116 HA GLU 15 HA GLU 15 -4.894 1.992 7.175 117 1HB GLU 15 2HB GLU 15 -1.992 1.750 8.005 118 2HB GLU 15 1HB GLU 15 -3.294 2.271 9.077 119 1HG GLU 15 2HG GLU 15 -4.429 0.153 8.876 120 2HG GLU 15 1HG GLU 15 -3.383 -0.365 7.558 121 H ILE 16 H ILE 16 -1.936 3.307 5.781 122 HA ILE 16 HA ILE 16 -2.394 6.051 6.574 123 HB ILE 16 HB ILE 16 -0.708 4.837 4.327 124 1HG1 ILE 16 2HG1 ILE 16 0.249 5.922 6.974 125 2HG1 ILE 16 1HG1 ILE 16 -0.116 4.233 6.754 126 1HG2 ILE 16 1HG2 ILE 16 -1.046 7.128 3.775 127 2HG2 ILE 16 2HG2 ILE 16 0.531 7.055 4.552 128 3HG2 ILE 16 3HG2 ILE 16 -0.866 7.636 5.450 129 1HD1 ILE 16 1HD1 ILE 16 2.339 5.400 6.255 130 2HD1 ILE 16 2HD1 ILE 16 1.617 5.346 4.639 131 3HD1 ILE 16 3HD1 ILE 16 1.799 3.862 5.583 132 H PHE 17 H PHE 17 -3.087 3.977 3.835 133 HA PHE 17 HA PHE 17 -4.131 5.825 1.966 134 1HB PHE 17 2HB PHE 17 -3.500 3.227 1.895 135 2HB PHE 17 1HB PHE 17 -5.212 3.048 2.183 136 HD1 PHE 17 1HD PHE 17 -6.816 3.555 0.477 137 HD2 PHE 17 2HD PHE 17 -2.644 4.336 -0.153 138 HE1 PHE 17 1HE PHE 17 -7.232 3.787 -1.949 139 HE2 PHE 17 2HE PHE 17 -3.045 4.575 -2.580 140 HZ PHE 17 HZ PHE 17 -5.342 4.293 -3.468 141 H ASN 18 H ASN 18 -5.539 4.006 4.622 142 HA ASN 18 HA ASN 18 -8.251 4.918 4.070 143 1HB ASN 18 2HB ASN 18 -7.066 3.046 6.126 144 2HB ASN 18 1HB ASN 18 -8.770 3.487 6.098 145 1HD2 ASN 18 1HD2 ASN 18 -6.470 2.647 3.434 146 2HD2 ASN 18 2HD2 ASN 18 -7.447 1.417 2.797 147 H LEU 19 H LEU 19 -5.721 6.471 5.522 148 HA LEU 19 HA LEU 19 -6.919 7.226 7.978 149 1HB LEU 19 2HB LEU 19 -4.544 8.049 6.471 150 2HB LEU 19 1HB LEU 19 -5.258 9.341 7.432 151 HG LEU 19 HG LEU 19 -4.504 6.587 8.490 152 1HD1 LEU 19 1HD1 LEU 19 -3.048 8.456 9.844 153 2HD1 LEU 19 2HD1 LEU 19 -3.085 9.135 8.232 154 3HD1 LEU 19 3HD1 LEU 19 -2.449 7.513 8.488 155 1HD2 LEU 19 1HD2 LEU 19 -6.020 7.180 10.082 156 2HD2 LEU 19 2HD2 LEU 19 -6.014 8.872 9.591 157 3HD2 LEU 19 3HD2 LEU 19 -4.740 8.261 10.635 158 HA PRO 20 HA PRO 20 -9.883 10.018 6.229 159 1HB PRO 20 2HB PRO 20 -10.545 11.011 8.862 160 2HB PRO 20 1HB PRO 20 -11.408 9.803 7.897 161 1HG PRO 20 2HG PRO 20 -10.127 9.260 10.232 162 2HG PRO 20 1HG PRO 20 -10.373 8.066 8.941 163 1HD PRO 20 2HD PRO 20 -7.931 9.738 9.511 164 2HD PRO 20 1HD PRO 20 -8.039 7.999 9.165 165 H ASN 21 H ASN 21 -6.936 11.205 7.089 166 HA ASN 21 HA ASN 21 -7.935 13.975 6.715 167 1HB ASN 21 2HB ASN 21 -6.282 13.047 9.042 168 2HB ASN 21 1HB ASN 21 -6.359 14.734 8.557 169 1HD2 ASN 21 1HD2 ASN 21 -7.843 12.429 10.533 170 2HD2 ASN 21 2HD2 ASN 21 -9.321 13.226 10.775 171 H LEU 22 H LEU 22 -5.742 11.682 5.750 172 HA LEU 22 HA LEU 22 -3.555 13.533 5.198 173 1HB LEU 22 2HB LEU 22 -3.952 10.659 4.358 174 2HB LEU 22 1HB LEU 22 -2.472 11.600 4.155 175 HG LEU 22 HG LEU 22 -3.798 10.985 6.814 176 1HD1 LEU 22 1HD1 LEU 22 -1.504 9.761 7.031 177 2HD1 LEU 22 2HD1 LEU 22 -1.549 9.749 5.270 178 3HD1 LEU 22 3HD1 LEU 22 -2.837 8.977 6.189 179 1HD2 LEU 22 1HD2 LEU 22 -1.402 11.758 7.532 180 2HD2 LEU 22 2HD2 LEU 22 -2.626 12.978 7.186 181 3HD2 LEU 22 3HD2 LEU 22 -1.394 12.583 5.977 182 H ASN 23 H ASN 23 -2.801 14.079 3.107 183 HA ASN 23 HA ASN 23 -4.977 14.143 1.113 184 1HB ASN 23 2HB ASN 23 -3.881 16.010 0.102 185 2HB ASN 23 1HB ASN 23 -3.914 16.312 1.833 186 1HD2 ASN 23 1HD2 ASN 23 -2.003 17.410 -0.174 187 2HD2 ASN 23 2HD2 ASN 23 -0.462 16.924 0.346 188 H GLY 24 H GLY 24 -4.267 13.923 -1.180 189 1HA GLY 24 2HA GLY 24 -3.319 11.411 -1.730 190 2HA GLY 24 1HA GLY 24 -3.273 12.737 -2.883 191 H VAL 25 H VAL 25 -1.397 14.357 -1.320 192 HA VAL 25 HA VAL 25 1.031 13.192 -2.309 193 HB VAL 25 HB VAL 25 0.533 15.697 -0.705 194 1HG1 VAL 25 1HG1 VAL 25 2.808 15.188 -0.292 195 2HG1 VAL 25 2HG1 VAL 25 2.879 16.226 -1.717 196 3HG1 VAL 25 3HG1 VAL 25 3.025 14.475 -1.891 197 1HG2 VAL 25 1HG2 VAL 25 -0.453 15.903 -2.864 198 2HG2 VAL 25 2HG2 VAL 25 0.861 15.010 -3.632 199 3HG2 VAL 25 3HG2 VAL 25 1.135 16.651 -3.036 200 H GLN 26 H GLN 26 -0.115 13.926 1.040 201 HA GLN 26 HA GLN 26 2.205 12.937 2.271 202 1HB GLN 26 2HB GLN 26 -0.541 13.557 3.172 203 2HB GLN 26 1HB GLN 26 0.425 12.510 4.204 204 1HG GLN 26 2HG GLN 26 1.909 14.159 4.752 205 2HG GLN 26 1HG GLN 26 1.864 14.875 3.136 206 1HE2 GLN 26 1HE2 GLN 26 -0.142 14.520 6.054 207 2HE2 GLN 26 2HE2 GLN 26 -0.904 16.026 5.904 208 H VAL 27 H VAL 27 -0.825 11.323 1.403 209 HA VAL 27 HA VAL 27 -0.168 8.798 2.518 210 HB VAL 27 HB VAL 27 -1.924 9.436 0.127 211 1HG1 VAL 27 1HG1 VAL 27 -2.980 7.209 0.848 212 2HG1 VAL 27 2HG1 VAL 27 -1.520 6.950 1.803 213 3HG1 VAL 27 3HG1 VAL 27 -1.413 7.105 0.050 214 1HG2 VAL 27 1HG2 VAL 27 -2.667 10.560 2.191 215 2HG2 VAL 27 2HG2 VAL 27 -2.572 9.037 3.072 216 3HG2 VAL 27 3HG2 VAL 27 -3.766 9.242 1.790 217 H LYS 28 H LYS 28 0.334 10.237 -0.667 218 HA LYS 28 HA LYS 28 1.569 8.033 -1.925 219 1HB LYS 28 2HB LYS 28 0.647 10.030 -3.098 220 2HB LYS 28 1HB LYS 28 1.955 11.009 -2.441 221 1HG LYS 28 2HG LYS 28 3.493 9.193 -3.563 222 2HG LYS 28 1HG LYS 28 2.054 8.827 -4.515 223 1HD LYS 28 2HD LYS 28 3.102 11.647 -4.204 224 2HD LYS 28 1HD LYS 28 3.665 10.581 -5.489 225 1HE LYS 28 2HE LYS 28 0.914 10.315 -5.656 226 2HE LYS 28 1HE LYS 28 1.110 12.014 -5.229 227 1HZ LYS 28 1HZ LYS 28 1.161 11.667 -7.628 228 2HZ LYS 28 2HZ LYS 28 2.499 10.634 -7.462 229 3HZ LYS 28 3HZ LYS 28 2.639 12.280 -7.064 230 H ALA 29 H ALA 29 2.786 10.617 0.109 231 HA ALA 29 HA ALA 29 5.547 10.138 -0.279 232 1HB ALA 29 1HB ALA 29 4.265 11.357 2.140 233 2HB ALA 29 2HB ALA 29 4.489 12.245 0.630 234 3HB ALA 29 3HB ALA 29 5.888 11.641 1.516 235 H PHE 30 H PHE 30 3.193 9.166 2.158 236 HA PHE 30 HA PHE 30 5.001 7.798 3.786 237 1HB PHE 30 2HB PHE 30 2.038 7.438 3.402 238 2HB PHE 30 1HB PHE 30 2.986 6.693 4.685 239 HD1 PHE 30 1HD PHE 30 4.825 8.801 5.570 240 HD2 PHE 30 2HD PHE 30 0.671 9.121 4.406 241 HE1 PHE 30 1HE PHE 30 4.580 10.843 6.918 242 HE2 PHE 30 2HE PHE 30 0.463 11.146 5.786 243 HZ PHE 30 HZ PHE 30 2.409 12.000 7.029 244 H ILE 31 H ILE 31 3.052 6.955 0.978 245 HA ILE 31 HA ILE 31 3.685 4.194 0.957 246 HB ILE 31 HB ILE 31 2.700 6.104 -1.151 247 1HG1 ILE 31 2HG1 ILE 31 1.530 3.581 0.077 248 2HG1 ILE 31 1HG1 ILE 31 1.143 5.217 0.591 249 1HG2 ILE 31 1HG2 ILE 31 3.839 4.769 -2.656 250 2HG2 ILE 31 2HG2 ILE 31 2.435 3.731 -2.429 251 3HG2 ILE 31 3HG2 ILE 31 3.924 3.398 -1.553 252 1HD1 ILE 31 1HD1 ILE 31 -0.548 4.231 -0.978 253 2HD1 ILE 31 2HD1 ILE 31 0.703 4.173 -2.220 254 3HD1 ILE 31 3HD1 ILE 31 0.174 5.728 -1.574 255 H ASP 32 H ASP 32 5.106 7.016 -0.620 256 HA ASP 32 HA ASP 32 7.122 5.601 -1.967 257 1HB ASP 32 2HB ASP 32 6.755 8.464 -1.136 258 2HB ASP 32 1HB ASP 32 8.327 7.955 -1.758 259 H SER 33 H SER 33 7.043 6.997 1.225 260 HA SER 33 HA SER 33 9.757 6.498 1.923 261 1HB SER 33 2HB SER 33 7.289 6.769 3.663 262 2HB SER 33 1HB SER 33 8.957 6.801 4.242 263 HG SER 33 HG SER 33 7.775 8.575 2.362 264 H LEU 34 H LEU 34 6.768 4.728 2.123 265 HA LEU 34 HA LEU 34 7.539 2.396 3.575 266 1HB LEU 34 2HB LEU 34 5.369 3.343 1.815 267 2HB LEU 34 1HB LEU 34 5.644 1.631 1.749 268 HG LEU 34 HG LEU 34 5.645 2.612 4.466 269 1HD1 LEU 34 1HD1 LEU 34 2.980 2.688 4.236 270 2HD1 LEU 34 2HD1 LEU 34 3.399 3.328 2.653 271 3HD1 LEU 34 3HD1 LEU 34 3.960 4.144 4.108 272 1HD2 LEU 34 1HD2 LEU 34 5.449 0.341 4.200 273 2HD2 LEU 34 2HD2 LEU 34 4.390 0.472 2.812 274 3HD2 LEU 34 3HD2 LEU 34 3.769 0.788 4.433 275 H ARG 35 H ARG 35 7.307 3.102 0.143 276 HA ARG 35 HA ARG 35 8.361 0.721 -0.919 277 1HB ARG 35 2HB ARG 35 8.422 3.550 -1.990 278 2HB ARG 35 1HB ARG 35 8.791 2.114 -2.943 279 1HG ARG 35 2HG ARG 35 6.553 1.259 -2.605 280 2HG ARG 35 1HG ARG 35 6.190 2.553 -1.498 281 1HD ARG 35 2HD ARG 35 5.195 3.150 -3.590 282 2HD ARG 35 1HD ARG 35 6.589 4.194 -3.344 283 HE ARG 35 HE ARG 35 7.513 3.253 -5.218 284 1HH1 ARG 35 1HH2 ARG 35 5.286 1.027 -3.801 285 2HH1 ARG 35 2HH2 ARG 35 5.371 -0.097 -5.122 286 1HH2 ARG 35 1HH1 ARG 35 7.525 1.871 -6.993 287 2HH2 ARG 35 2HH1 ARG 35 6.649 0.379 -6.921 288 H ASP 36 H ASP 36 9.914 3.793 -0.091 289 HA ASP 36 HA ASP 36 12.538 3.118 -0.905 290 1HB ASP 36 2HB ASP 36 11.686 5.433 -0.552 291 2HB ASP 36 1HB ASP 36 11.708 5.107 1.169 292 H ASP 37 H ASP 37 10.795 2.896 2.121 293 HA ASP 37 HA ASP 37 12.727 0.963 3.124 294 1HB ASP 37 2HB ASP 37 13.438 3.279 3.907 295 2HB ASP 37 1HB ASP 37 11.946 3.326 4.840 296 HA PRO 38 HA PRO 38 8.522 -0.406 3.960 297 1HB PRO 38 2HB PRO 38 9.574 -3.063 4.102 298 2HB PRO 38 1HB PRO 38 8.542 -2.356 2.873 299 1HG PRO 38 2HG PRO 38 11.189 -3.113 2.565 300 2HG PRO 38 1HG PRO 38 10.250 -2.099 1.461 301 1HD PRO 38 2HD PRO 38 12.342 -1.317 3.387 302 2HD PRO 38 1HD PRO 38 11.744 -0.460 1.949 303 H SER 39 H SER 39 11.479 -1.148 5.655 304 HA SER 39 HA SER 39 10.381 -2.390 7.946 305 1HB SER 39 2HB SER 39 12.848 -0.631 7.907 306 2HB SER 39 1HB SER 39 12.482 -1.946 9.017 307 HG SER 39 HG SER 39 13.211 -2.031 6.298 308 H GLN 40 H GLN 40 10.684 0.881 6.852 309 HA GLN 40 HA GLN 40 9.926 2.092 9.363 310 1HB GLN 40 2HB GLN 40 10.893 2.994 6.738 311 2HB GLN 40 1HB GLN 40 9.681 4.055 7.443 312 1HG GLN 40 2HG GLN 40 11.780 4.849 8.228 313 2HG GLN 40 1HG GLN 40 11.050 4.001 9.587 314 1HE2 GLN 40 1HE2 GLN 40 13.898 4.233 7.748 315 2HE2 GLN 40 2HE2 GLN 40 14.613 2.768 8.219 316 H SER 41 H SER 41 8.203 0.439 7.072 317 HA SER 41 HA SER 41 6.048 1.925 6.297 318 1HB SER 41 2HB SER 41 6.392 -0.424 5.685 319 2HB SER 41 1HB SER 41 6.110 -0.928 7.343 320 HG SER 41 HG SER 41 4.158 -1.140 6.542 321 H ALA 42 H ALA 42 6.535 0.440 9.478 322 HA ALA 42 HA ALA 42 3.978 1.023 10.580 323 1HB ALA 42 1HB ALA 42 5.046 0.529 12.695 324 2HB ALA 42 2HB ALA 42 6.643 0.766 11.976 325 3HB ALA 42 3HB ALA 42 5.648 -0.613 11.491 326 H ASN 43 H ASN 43 7.074 2.617 10.475 327 HA ASN 43 HA ASN 43 6.541 4.748 12.221 328 1HB ASN 43 2HB ASN 43 8.571 4.040 10.165 329 2HB ASN 43 1HB ASN 43 8.523 5.709 10.744 330 1HD2 ASN 43 1HD2 ASN 43 9.829 2.656 11.396 331 2HD2 ASN 43 2HD2 ASN 43 10.247 2.903 13.022 332 H LEU 44 H LEU 44 6.120 4.262 8.825 333 HA LEU 44 HA LEU 44 5.539 6.962 8.093 334 1HB LEU 44 2HB LEU 44 5.070 4.309 6.695 335 2HB LEU 44 1HB LEU 44 5.049 5.910 5.927 336 HG LEU 44 HG LEU 44 7.393 4.989 7.578 337 1HD1 LEU 44 1HD1 LEU 44 8.497 4.618 5.311 338 2HD1 LEU 44 2HD1 LEU 44 6.848 4.450 4.698 339 3HD1 LEU 44 3HD1 LEU 44 7.444 3.362 5.953 340 1HD2 LEU 44 1HD2 LEU 44 6.879 7.143 5.598 341 2HD2 LEU 44 2HD2 LEU 44 8.491 6.721 6.174 342 3HD2 LEU 44 3HD2 LEU 44 7.265 7.292 7.307 343 H LEU 45 H LEU 45 3.883 4.135 8.955 344 HA LEU 45 HA LEU 45 1.212 5.056 8.535 345 1HB LEU 45 2HB LEU 45 1.475 2.721 8.716 346 2HB LEU 45 1HB LEU 45 2.469 2.844 10.162 347 HG LEU 45 HG LEU 45 0.512 3.624 11.443 348 1HD1 LEU 45 1HD1 LEU 45 -1.757 3.355 10.241 349 2HD1 LEU 45 2HD1 LEU 45 -0.830 3.435 8.743 350 3HD1 LEU 45 3HD1 LEU 45 -0.811 4.795 9.866 351 1HD2 LEU 45 1HD2 LEU 45 0.028 1.097 9.834 352 2HD2 LEU 45 2HD2 LEU 45 -0.767 1.499 11.358 353 3HD2 LEU 45 3HD2 LEU 45 0.975 1.228 11.316 354 H ALA 46 H ALA 46 3.574 5.126 11.080 355 HA ALA 46 HA ALA 46 1.999 6.248 13.129 356 1HB ALA 46 1HB ALA 46 4.925 6.809 12.825 357 2HB ALA 46 2HB ALA 46 4.384 5.175 13.216 358 3HB ALA 46 3HB ALA 46 4.011 6.510 14.305 359 H GLU 47 H GLU 47 4.178 7.564 10.738 360 HA GLU 47 HA GLU 47 4.001 10.275 11.383 361 1HB GLU 47 2HB GLU 47 4.684 8.682 8.947 362 2HB GLU 47 1HB GLU 47 4.608 10.442 8.861 363 1HG GLU 47 2HG GLU 47 6.453 8.721 10.508 364 2HG GLU 47 1HG GLU 47 6.871 9.871 9.247 365 H ALA 48 H ALA 48 2.154 8.128 9.347 366 HA ALA 48 HA ALA 48 0.574 10.096 8.101 367 1HB ALA 48 1HB ALA 48 0.286 7.145 8.584 368 2HB ALA 48 2HB ALA 48 0.822 7.952 7.112 369 3HB ALA 48 3HB ALA 48 -0.852 8.073 7.618 370 H LYS 49 H LYS 49 0.129 7.968 10.901 371 HA LYS 49 HA LYS 49 -2.454 8.847 11.634 372 1HB LYS 49 2HB LYS 49 -0.180 7.742 13.303 373 2HB LYS 49 1HB LYS 49 -1.799 8.041 13.933 374 1HG LYS 49 2HG LYS 49 -1.414 6.351 11.465 375 2HG LYS 49 1HG LYS 49 -1.219 5.645 13.066 376 1HD LYS 49 2HD LYS 49 -3.487 6.223 13.670 377 2HD LYS 49 1HD LYS 49 -3.691 7.179 12.205 378 1HE LYS 49 2HE LYS 49 -4.766 4.956 11.993 379 2HE LYS 49 1HE LYS 49 -3.460 5.155 10.826 380 1HZ LYS 49 1HZ LYS 49 -3.165 3.807 13.455 381 2HZ LYS 49 2HZ LYS 49 -2.004 3.893 12.219 382 3HZ LYS 49 3HZ LYS 49 -3.425 2.994 11.990 383 H LYS 50 H LYS 50 0.755 10.141 12.058 384 HA LYS 50 HA LYS 50 -0.003 12.146 13.936 385 1HB LYS 50 2HB LYS 50 2.461 11.661 12.278 386 2HB LYS 50 1HB LYS 50 2.285 13.104 13.280 387 1HG LYS 50 2HG LYS 50 2.004 11.729 15.272 388 2HG LYS 50 1HG LYS 50 2.045 10.260 14.302 389 1HD LYS 50 2HD LYS 50 4.363 11.189 13.477 390 2HD LYS 50 1HD LYS 50 4.282 12.167 14.942 391 1HE LYS 50 2HE LYS 50 5.044 10.393 16.101 392 2HE LYS 50 1HE LYS 50 3.538 9.555 15.721 393 1HZ LYS 50 1HZ LYS 50 5.895 9.622 13.915 394 2HZ LYS 50 2HZ LYS 50 4.494 8.677 13.743 395 3HZ LYS 50 3HZ LYS 50 5.583 8.363 15.010 396 H LEU 51 H LEU 51 0.535 11.995 10.491 397 HA LEU 51 HA LEU 51 0.150 14.759 10.030 398 1HB LEU 51 2HB LEU 51 0.466 12.340 8.349 399 2HB LEU 51 1HB LEU 51 -0.406 13.684 7.620 400 HG LEU 51 HG LEU 51 1.932 13.908 7.089 401 1HD1 LEU 51 1HD1 LEU 51 1.742 15.973 9.211 402 2HD1 LEU 51 2HD1 LEU 51 0.411 15.906 8.056 403 3HD1 LEU 51 3HD1 LEU 51 2.061 16.149 7.486 404 1HD2 LEU 51 1HD2 LEU 51 3.200 12.771 8.668 405 2HD2 LEU 51 2HD2 LEU 51 2.272 13.409 10.025 406 3HD2 LEU 51 3HD2 LEU 51 3.453 14.429 9.204 407 H ASN 52 H ASN 52 -1.946 11.932 9.813 408 HA ASN 52 HA ASN 52 -4.206 13.304 8.843 409 1HB ASN 52 2HB ASN 52 -5.099 11.238 8.799 410 2HB ASN 52 1HB ASN 52 -3.542 10.666 9.358 411 1HD2 ASN 52 1HD2 ASN 52 -6.835 11.275 10.303 412 2HD2 ASN 52 2HD2 ASN 52 -6.721 10.601 11.853 413 H ASP 53 H ASP 53 -3.008 12.451 12.075 414 HA ASP 53 HA ASP 53 -5.177 13.475 13.537 415 1HB ASP 53 2HB ASP 53 -3.508 11.984 14.522 416 2HB ASP 53 1HB ASP 53 -2.291 13.248 14.384 417 H ALA 54 H ALA 54 -2.212 14.914 12.331 418 HA ALA 54 HA ALA 54 -2.484 17.446 13.556 419 1HB ALA 54 1HB ALA 54 -0.920 18.152 11.663 420 2HB ALA 54 2HB ALA 54 -0.990 16.475 11.120 421 3HB ALA 54 3HB ALA 54 -0.335 16.858 12.710 422 H GLN 55 H GLN 55 -3.566 16.018 10.528 423 HA GLN 55 HA GLN 55 -4.843 18.487 9.620 424 1HB GLN 55 2HB GLN 55 -4.556 15.706 8.484 425 2HB GLN 55 1HB GLN 55 -5.525 16.960 7.700 426 1HG GLN 55 2HG GLN 55 -3.603 18.386 7.433 427 2HG GLN 55 1HG GLN 55 -2.615 17.345 8.456 428 1HE2 GLN 55 1HE2 GLN 55 -2.735 14.890 7.563 429 2HE2 GLN 55 2HE2 GLN 55 -2.435 14.756 5.898 430 H ALA 56 H ALA 56 -5.626 16.428 11.957 431 HA ALA 56 HA ALA 56 -8.256 15.554 11.327 432 1HB ALA 56 1HB ALA 56 -7.156 16.107 14.082 433 2HB ALA 56 2HB ALA 56 -6.780 14.647 13.171 434 3HB ALA 56 3HB ALA 56 -8.444 14.986 13.647 435 HA PRO 57 HA PRO 57 -10.657 19.130 12.041 436 1HB PRO 57 2HB PRO 57 -12.847 17.653 13.218 437 2HB PRO 57 1HB PRO 57 -12.660 18.183 11.542 438 1HG PRO 57 2HG PRO 57 -12.652 15.587 12.330 439 2HG PRO 57 1HG PRO 57 -11.824 16.185 10.883 440 1HD PRO 57 2HD PRO 57 -10.690 15.625 13.599 441 2HD PRO 57 1HD PRO 57 -10.045 15.183 11.998 442 H LYS 58 H LYS 58 -8.859 18.602 14.183 443 HA LYS 58 HA LYS 58 -10.108 18.875 16.728 444 1HB LYS 58 2HB LYS 58 -7.322 19.397 15.786 445 2HB LYS 58 1HB LYS 58 -7.805 19.581 17.464 446 1HG LYS 58 2HG LYS 58 -8.577 17.213 17.467 447 2HG LYS 58 1HG LYS 58 -7.997 17.044 15.811 448 1HD LYS 58 2HD LYS 58 -5.703 17.615 16.563 449 2HD LYS 58 1HD LYS 58 -6.289 17.750 18.221 450 1HE LYS 58 2HE LYS 58 -5.280 15.544 17.874 451 2HE LYS 58 1HE LYS 58 -7.016 15.371 18.133 452 1HZ LYS 58 1HZ LYS 58 -6.114 14.060 16.242 453 2HZ LYS 58 2HZ LYS 58 -5.760 15.522 15.449 454 3HZ LYS 58 3HZ LYS 58 -7.369 15.117 15.815 455 1H VAL 1 1HT VAL 1 -16.434 -4.117 4.443 456 2H VAL 1 2HT VAL 1 -17.733 -5.036 3.849 457 3H VAL 1 3HT VAL 1 -17.921 -3.369 4.120 458 HA VAL 1 HA VAL 1 -17.621 -4.084 1.737 459 HB VAL 1 HB VAL 1 -17.343 -1.752 2.564 460 1HG1 VAL 1 1HG1 VAL 1 -15.234 -0.883 3.257 461 2HG1 VAL 1 2HG1 VAL 1 -14.376 -2.331 2.736 462 3HG1 VAL 1 3HG1 VAL 1 -15.427 -2.388 4.152 463 1HG2 VAL 1 1HG2 VAL 1 -16.067 -0.947 0.677 464 2HG2 VAL 1 2HG2 VAL 1 -16.903 -2.410 0.159 465 3HG2 VAL 1 3HG2 VAL 1 -15.185 -2.470 0.553 466 H ASP 2 H ASP 2 -14.920 -4.517 3.962 467 HA ASP 2 HA ASP 2 -13.042 -5.417 1.995 468 1HB ASP 2 2HB ASP 2 -13.107 -5.757 5.006 469 2HB ASP 2 1HB ASP 2 -11.742 -6.185 3.981 470 H ASN 3 H ASN 3 -12.750 -7.383 1.169 471 HA ASN 3 HA ASN 3 -14.614 -9.490 1.781 472 1HB ASN 3 2HB ASN 3 -12.308 -9.413 -0.178 473 2HB ASN 3 1HB ASN 3 -13.539 -10.668 -0.095 474 1HD2 ASN 3 1HD2 ASN 3 -13.092 -9.027 -2.441 475 2HD2 ASN 3 2HD2 ASN 3 -14.489 -8.097 -2.689 476 H LYS 4 H LYS 4 -13.569 -11.791 1.756 477 HA LYS 4 HA LYS 4 -12.237 -12.267 4.159 478 1HB LYS 4 2HB LYS 4 -11.554 -14.475 2.906 479 2HB LYS 4 1HB LYS 4 -13.247 -14.167 3.284 480 1HG LYS 4 2HG LYS 4 -13.815 -13.735 1.079 481 2HG LYS 4 1HG LYS 4 -12.216 -13.125 0.669 482 1HD LYS 4 2HD LYS 4 -12.589 -15.287 -0.424 483 2HD LYS 4 1HD LYS 4 -11.322 -15.442 0.795 484 1HE LYS 4 2HE LYS 4 -12.768 -16.495 2.330 485 2HE LYS 4 1HE LYS 4 -14.205 -16.017 1.432 486 1HZ LYS 4 1HZ LYS 4 -13.552 -17.469 -0.365 487 2HZ LYS 4 2HZ LYS 4 -13.630 -18.358 1.082 488 3HZ LYS 4 3HZ LYS 4 -12.124 -17.894 0.446 489 H PHE 5 H PHE 5 -11.035 -11.765 0.940 490 HA PHE 5 HA PHE 5 -8.334 -12.371 1.312 491 1HB PHE 5 2HB PHE 5 -9.936 -10.836 -0.690 492 2HB PHE 5 1HB PHE 5 -8.182 -10.683 -0.725 493 HD1 PHE 5 1HD PHE 5 -7.584 -11.906 -2.657 494 HD2 PHE 5 2HD PHE 5 -10.216 -13.660 0.256 495 HE1 PHE 5 1HE PHE 5 -7.422 -14.083 -3.822 496 HE2 PHE 5 2HE PHE 5 -10.051 -15.838 -0.917 497 HZ PHE 5 HZ PHE 5 -8.652 -16.052 -2.953 498 H ASN 6 H ASN 6 -9.809 -10.109 3.142 499 HA ASN 6 HA ASN 6 -8.310 -7.735 2.804 500 1HB ASN 6 2HB ASN 6 -10.262 -8.096 4.410 501 2HB ASN 6 1HB ASN 6 -9.111 -8.877 5.491 502 1HD2 ASN 6 1HD2 ASN 6 -6.927 -7.379 5.627 503 2HD2 ASN 6 2HD2 ASN 6 -7.255 -5.751 5.966 504 H LYS 7 H LYS 7 -7.567 -10.714 4.566 505 HA LYS 7 HA LYS 7 -5.063 -9.924 5.634 506 1HB LYS 7 2HB LYS 7 -6.231 -11.963 6.368 507 2HB LYS 7 1HB LYS 7 -6.067 -12.656 4.755 508 1HG LYS 7 2HG LYS 7 -3.561 -12.484 5.015 509 2HG LYS 7 1HG LYS 7 -3.827 -11.993 6.690 510 1HD LYS 7 2HD LYS 7 -4.902 -14.097 7.209 511 2HD LYS 7 1HD LYS 7 -4.895 -14.575 5.510 512 1HE LYS 7 2HE LYS 7 -2.370 -14.016 7.092 513 2HE LYS 7 1HE LYS 7 -3.062 -15.627 6.900 514 1HZ LYS 7 1HZ LYS 7 -3.015 -14.655 4.366 515 2HZ LYS 7 2HZ LYS 7 -1.870 -15.716 5.037 516 3HZ LYS 7 3HZ LYS 7 -1.576 -14.043 5.022 517 H GLU 8 H GLU 8 -6.052 -11.485 2.648 518 HA GLU 8 HA GLU 8 -3.477 -11.772 1.476 519 1HB GLU 8 2HB GLU 8 -6.267 -11.743 0.249 520 2HB GLU 8 1HB GLU 8 -4.798 -12.284 -0.575 521 1HG GLU 8 2HG GLU 8 -6.134 -13.522 1.848 522 2HG GLU 8 1HG GLU 8 -5.870 -14.260 0.271 523 H ARG 9 H ARG 9 -5.894 -9.251 1.455 524 HA ARG 9 HA ARG 9 -5.056 -7.773 -0.760 525 1HB ARG 9 2HB ARG 9 -7.213 -7.404 0.301 526 2HB ARG 9 1HB ARG 9 -6.426 -6.865 1.784 527 1HG ARG 9 2HG ARG 9 -5.438 -4.962 0.613 528 2HG ARG 9 1HG ARG 9 -6.115 -5.519 -0.913 529 1HD ARG 9 2HD ARG 9 -7.512 -3.741 0.019 530 2HD ARG 9 1HD ARG 9 -8.394 -5.262 0.033 531 HE ARG 9 HE ARG 9 -6.960 -4.622 2.491 532 1HH1 ARG 9 1HH2 ARG 9 -9.698 -6.099 1.585 533 2HH1 ARG 9 2HH2 ARG 9 -10.796 -5.203 2.577 534 1HH2 ARG 9 1HH1 ARG 9 -8.473 -2.778 3.412 535 2HH2 ARG 9 2HH1 ARG 9 -10.101 -3.323 3.614 536 H VAL 10 H VAL 10 -4.167 -7.511 2.700 537 HA VAL 10 HA VAL 10 -2.499 -5.266 2.336 538 HB VAL 10 HB VAL 10 -2.171 -5.285 4.534 539 1HG1 VAL 10 1HG1 VAL 10 -3.844 -7.768 4.831 540 2HG1 VAL 10 2HG1 VAL 10 -4.562 -6.272 4.232 541 3HG1 VAL 10 3HG1 VAL 10 -3.822 -6.317 5.840 542 1HG2 VAL 10 1HG2 VAL 10 -0.347 -6.943 4.289 543 2HG2 VAL 10 2HG2 VAL 10 -1.537 -8.229 4.545 544 3HG2 VAL 10 3HG2 VAL 10 -1.208 -7.056 5.827 545 H ILE 11 H ILE 11 -1.893 -8.720 2.027 546 HA ILE 11 HA ILE 11 0.931 -8.533 1.786 547 HB ILE 11 HB ILE 11 -0.833 -10.549 0.367 548 1HG1 ILE 11 2HG1 ILE 11 -0.141 -10.196 3.249 549 2HG1 ILE 11 1HG1 ILE 11 -1.551 -10.953 2.522 550 1HG2 ILE 11 1HG2 ILE 11 1.149 -11.924 0.389 551 2HG2 ILE 11 2HG2 ILE 11 1.978 -10.819 1.487 552 3HG2 ILE 11 3HG2 ILE 11 1.665 -10.337 -0.181 553 1HD1 ILE 11 1HD1 ILE 11 0.041 -12.850 1.808 554 2HD1 ILE 11 2HD1 ILE 11 -0.349 -12.747 3.522 555 3HD1 ILE 11 3HD1 ILE 11 1.202 -12.136 2.932 556 H ALA 12 H ALA 12 -1.744 -8.162 -0.546 557 HA ALA 12 HA ALA 12 -0.118 -7.933 -2.887 558 1HB ALA 12 1HB ALA 12 -2.902 -7.044 -2.152 559 2HB ALA 12 2HB ALA 12 -2.437 -8.348 -3.233 560 3HB ALA 12 3HB ALA 12 -2.189 -6.670 -3.718 561 H ILE 13 H ILE 13 -1.598 -5.566 -0.702 562 HA ILE 13 HA ILE 13 -0.579 -3.248 -1.934 563 HB ILE 13 HB ILE 13 -1.112 -3.779 1.017 564 1HG1 ILE 13 2HG1 ILE 13 -2.912 -2.484 -1.009 565 2HG1 ILE 13 1HG1 ILE 13 -2.960 -4.216 -0.705 566 1HG2 ILE 13 1HG2 ILE 13 -0.914 -1.214 -0.578 567 2HG2 ILE 13 2HG2 ILE 13 0.091 -1.688 0.779 568 3HG2 ILE 13 3HG2 ILE 13 -1.618 -1.319 1.037 569 1HD1 ILE 13 1HD1 ILE 13 -3.360 -2.067 1.360 570 2HD1 ILE 13 2HD1 ILE 13 -3.462 -3.794 1.650 571 3HD1 ILE 13 3HD1 ILE 13 -4.656 -3.002 0.619 572 H GLY 14 H GLY 14 0.708 -5.553 0.331 573 1HA GLY 14 2HA GLY 14 3.154 -4.261 0.938 574 2HA GLY 14 1HA GLY 14 2.828 -5.984 1.069 575 H GLU 15 H GLU 15 2.305 -6.650 -1.588 576 HA GLU 15 HA GLU 15 4.956 -6.897 -2.566 577 1HB GLU 15 2HB GLU 15 2.989 -8.497 -2.861 578 2HB GLU 15 1HB GLU 15 2.406 -7.413 -4.096 579 1HG GLU 15 2HG GLU 15 3.982 -9.519 -4.645 580 2HG GLU 15 1HG GLU 15 4.000 -8.058 -5.629 581 H ILE 16 H ILE 16 2.155 -4.976 -3.506 582 HA ILE 16 HA ILE 16 3.234 -3.852 -5.869 583 HB ILE 16 HB ILE 16 1.583 -2.207 -3.955 584 1HG1 ILE 16 2HG1 ILE 16 0.970 -4.874 -4.864 585 2HG1 ILE 16 1HG1 ILE 16 0.043 -3.817 -3.812 586 1HG2 ILE 16 1HG2 ILE 16 1.523 -2.521 -6.967 587 2HG2 ILE 16 2HG2 ILE 16 2.291 -1.204 -6.097 588 3HG2 ILE 16 3HG2 ILE 16 0.545 -1.399 -6.030 589 1HD1 ILE 16 1HD1 ILE 16 -0.891 -2.754 -5.795 590 2HD1 ILE 16 2HD1 ILE 16 -1.271 -4.473 -5.674 591 3HD1 ILE 16 3HD1 ILE 16 -0.026 -3.920 -6.797 592 H MET 17 H MET 17 3.228 -2.663 -2.572 593 HA MET 17 HA MET 17 4.893 -0.412 -2.871 594 1HB MET 17 2HB MET 17 4.449 -2.169 -0.474 595 2HB MET 17 1HB MET 17 5.098 -0.521 -0.468 596 1HG MET 17 2HG MET 17 2.418 -1.162 -1.714 597 2HG MET 17 1HG MET 17 2.569 -0.737 -0.012 598 1HE MET 17 1HE MET 17 3.265 2.368 0.525 599 2HE MET 17 2HE MET 17 4.834 2.095 -0.236 600 3HE MET 17 3HE MET 17 4.065 0.786 0.689 601 H ARG 18 H ARG 18 5.639 -3.848 -2.529 602 HA ARG 18 HA ARG 18 8.426 -3.568 -1.986 603 1HB ARG 18 2HB ARG 18 6.761 -5.790 -3.053 604 2HB ARG 18 1HB ARG 18 8.495 -5.933 -3.029 605 1HG ARG 18 2HG ARG 18 6.874 -5.250 -0.580 606 2HG ARG 18 1HG ARG 18 7.259 -6.903 -1.033 607 1HD ARG 18 2HD ARG 18 9.229 -4.696 -0.416 608 2HD ARG 18 1HD ARG 18 8.867 -6.097 0.581 609 HE ARG 18 HE ARG 18 9.773 -7.456 -1.351 610 1HH1 ARG 18 1HH2 ARG 18 10.269 -4.953 -3.055 611 2HH1 ARG 18 2HH2 ARG 18 11.977 -4.748 -2.858 612 1HH2 ARG 18 1HH1 ARG 18 12.176 -6.851 -0.113 613 2HH2 ARG 18 2HH1 ARG 18 13.057 -5.824 -1.192 614 H LEU 19 H LEU 19 6.509 -3.934 -4.933 615 HA LEU 19 HA LEU 19 8.536 -4.255 -6.815 616 1HB LEU 19 2HB LEU 19 5.918 -2.797 -7.098 617 2HB LEU 19 1HB LEU 19 6.942 -3.237 -8.430 618 HG LEU 19 HG LEU 19 5.793 -5.238 -6.481 619 1HD1 LEU 19 1HD1 LEU 19 4.112 -5.716 -8.159 620 2HD1 LEU 19 2HD1 LEU 19 4.825 -4.534 -9.260 621 3HD1 LEU 19 3HD1 LEU 19 4.045 -4.005 -7.771 622 1HD2 LEU 19 1HD2 LEU 19 7.832 -5.453 -8.349 623 2HD2 LEU 19 2HD2 LEU 19 6.422 -6.095 -9.188 624 3HD2 LEU 19 3HD2 LEU 19 6.924 -6.785 -7.646 625 HA PRO 20 HA PRO 20 10.362 -0.193 -6.265 626 1HB PRO 20 2HB PRO 20 12.604 -1.095 -7.834 627 2HB PRO 20 1HB PRO 20 12.517 -0.829 -6.090 628 1HG PRO 20 2HG PRO 20 12.829 -3.262 -7.296 629 2HG PRO 20 1HG PRO 20 12.187 -3.014 -5.664 630 1HD PRO 20 2HD PRO 20 10.714 -3.557 -8.209 631 2HD PRO 20 1HD PRO 20 10.379 -4.121 -6.554 632 H ASN 21 H ASN 21 9.379 -1.708 -9.208 633 HA ASN 21 HA ASN 21 10.287 0.542 -10.855 634 1HB ASN 21 2HB ASN 21 8.801 -1.945 -11.688 635 2HB ASN 21 1HB ASN 21 9.526 -0.758 -12.756 636 1HD2 ASN 21 1HD2 ASN 21 10.165 -3.712 -12.325 637 2HD2 ASN 21 2HD2 ASN 21 11.830 -3.737 -11.998 638 H LEU 22 H LEU 22 7.405 -0.506 -9.202 639 HA LEU 22 HA LEU 22 5.536 0.819 -10.910 640 1HB LEU 22 2HB LEU 22 5.257 0.190 -7.972 641 2HB LEU 22 1HB LEU 22 3.961 0.708 -9.023 642 HG LEU 22 HG LEU 22 5.494 -1.887 -9.094 643 1HD1 LEU 22 1HD1 LEU 22 3.051 -2.716 -9.109 644 2HD1 LEU 22 2HD1 LEU 22 2.615 -1.064 -8.678 645 3HD1 LEU 22 3HD1 LEU 22 3.643 -2.009 -7.604 646 1HD2 LEU 22 1HD2 LEU 22 3.897 -0.480 -11.164 647 2HD2 LEU 22 2HD2 LEU 22 3.795 -2.223 -11.064 648 3HD2 LEU 22 3HD2 LEU 22 5.356 -1.452 -11.349 649 H ASN 23 H ASN 23 4.449 2.727 -10.621 650 HA ASN 23 HA ASN 23 6.032 4.918 -9.513 651 1HB ASN 23 2HB ASN 23 5.113 5.751 -11.430 652 2HB ASN 23 1HB ASN 23 3.891 4.514 -11.495 653 1HD2 ASN 23 1HD2 ASN 23 2.046 5.706 -11.884 654 2HD2 ASN 23 2HD2 ASN 23 1.504 6.973 -10.896 655 H SER 24 H SER 24 5.138 6.395 -7.921 656 HA SER 24 HA SER 24 4.011 5.099 -5.686 657 1HB SER 24 2HB SER 24 3.831 7.312 -4.711 658 2HB SER 24 1HB SER 24 5.333 7.217 -5.619 659 HG SER 24 HG SER 24 4.546 8.982 -6.485 660 H LEU 25 H LEU 25 2.617 7.161 -8.164 661 HA LEU 25 HA LEU 25 -0.054 7.056 -7.192 662 1HB LEU 25 2HB LEU 25 1.336 8.179 -9.533 663 2HB LEU 25 1HB LEU 25 -0.310 7.693 -9.834 664 HG LEU 25 HG LEU 25 0.597 9.498 -7.633 665 1HD1 LEU 25 1HD1 LEU 25 0.710 10.588 -9.837 666 2HD1 LEU 25 2HD1 LEU 25 -0.627 11.247 -8.894 667 3HD1 LEU 25 3HD1 LEU 25 -0.945 10.077 -10.175 668 1HD2 LEU 25 1HD2 LEU 25 -2.166 9.668 -7.993 669 2HD2 LEU 25 2HD2 LEU 25 -1.323 8.852 -6.674 670 3HD2 LEU 25 3HD2 LEU 25 -1.788 7.946 -8.115 671 H GLN 26 H GLN 26 1.886 5.137 -9.379 672 HA GLN 26 HA GLN 26 -0.208 3.624 -10.575 673 1HB GLN 26 2HB GLN 26 2.712 3.421 -10.360 674 2HB GLN 26 1HB GLN 26 1.901 1.867 -10.386 675 1HG GLN 26 2HG GLN 26 0.767 3.621 -12.405 676 2HG GLN 26 1HG GLN 26 2.505 3.460 -12.624 677 1HE2 GLN 26 1HE2 GLN 26 2.756 0.797 -11.542 678 2HE2 GLN 26 2HE2 GLN 26 2.005 -0.257 -12.640 679 H VAL 27 H VAL 27 1.763 3.205 -7.713 680 HA VAL 27 HA VAL 27 0.695 0.722 -6.917 681 HB VAL 27 HB VAL 27 2.153 2.871 -5.388 682 1HG1 VAL 27 1HG1 VAL 27 1.364 1.738 -3.561 683 2HG1 VAL 27 2HG1 VAL 27 2.584 0.549 -4.006 684 3HG1 VAL 27 3HG1 VAL 27 0.909 0.321 -4.503 685 1HG2 VAL 27 1HG2 VAL 27 3.553 0.391 -5.797 686 2HG2 VAL 27 2HG2 VAL 27 3.959 1.988 -6.418 687 3HG2 VAL 27 3HG2 VAL 27 2.894 0.923 -7.344 688 H VAL 28 H VAL 28 -0.088 4.060 -6.138 689 HA VAL 28 HA VAL 28 -2.154 3.519 -4.309 690 HB VAL 28 HB VAL 28 -1.813 5.857 -6.216 691 1HG1 VAL 28 1HG1 VAL 28 -3.195 6.434 -3.748 692 2HG1 VAL 28 2HG1 VAL 28 -3.986 5.100 -4.582 693 3HG1 VAL 28 3HG1 VAL 28 -3.760 6.639 -5.408 694 1HG2 VAL 28 1HG2 VAL 28 -1.280 6.298 -3.364 695 2HG2 VAL 28 2HG2 VAL 28 -0.285 6.708 -4.762 696 3HG2 VAL 28 3HG2 VAL 28 -0.196 5.094 -4.059 697 H ALA 29 H ALA 29 -1.934 3.568 -7.815 698 HA ALA 29 HA ALA 29 -4.663 3.531 -8.508 699 1HB ALA 29 1HB ALA 29 -2.269 3.505 -9.888 700 2HB ALA 29 2HB ALA 29 -3.853 3.274 -10.627 701 3HB ALA 29 3HB ALA 29 -2.873 1.872 -10.185 702 H PHE 30 H PHE 30 -2.319 0.976 -7.837 703 HA PHE 30 HA PHE 30 -4.132 -1.163 -8.196 704 1HB PHE 30 2HB PHE 30 -1.404 -0.965 -6.880 705 2HB PHE 30 1HB PHE 30 -2.263 -2.474 -7.177 706 HD1 PHE 30 1HD PHE 30 0.341 -0.634 -8.437 707 HD2 PHE 30 2HD PHE 30 -3.373 -2.351 -9.839 708 HE1 PHE 30 1HE PHE 30 1.148 -0.565 -10.730 709 HE2 PHE 30 2HE PHE 30 -2.508 -2.260 -12.134 710 HZ PHE 30 HZ PHE 30 -0.255 -1.384 -12.591 711 H ILE 31 H ILE 31 -2.886 0.594 -5.340 712 HA ILE 31 HA ILE 31 -4.128 -0.984 -3.364 713 HB ILE 31 HB ILE 31 -3.427 1.970 -3.346 714 1HG1 ILE 31 2HG1 ILE 31 -1.965 -0.346 -2.047 715 2HG1 ILE 31 1HG1 ILE 31 -1.562 0.221 -3.658 716 1HG2 ILE 31 1HG2 ILE 31 -3.482 1.685 -0.857 717 2HG2 ILE 31 2HG2 ILE 31 -4.169 0.080 -1.099 718 3HG2 ILE 31 3HG2 ILE 31 -5.071 1.505 -1.603 719 1HD1 ILE 31 1HD1 ILE 31 -0.087 1.308 -2.016 720 2HD1 ILE 31 2HD1 ILE 31 -1.493 1.881 -1.109 721 3HD1 ILE 31 3HD1 ILE 31 -1.177 2.499 -2.737 722 H ASN 32 H ASN 32 -5.198 1.896 -5.101 723 HA ASN 32 HA ASN 32 -7.735 2.222 -3.924 724 1HB ASN 32 2HB ASN 32 -6.547 2.993 -6.571 725 2HB ASN 32 1HB ASN 32 -8.284 3.141 -6.353 726 1HD2 ASN 32 1HD2 ASN 32 -5.672 5.042 -6.302 727 2HD2 ASN 32 2HD2 ASN 32 -6.082 6.115 -5.051 728 H SER 33 H SER 33 -6.617 -0.029 -6.430 729 HA SER 33 HA SER 33 -9.244 -0.757 -7.246 730 1HB SER 33 2HB SER 33 -6.508 -1.589 -7.905 731 2HB SER 33 1HB SER 33 -7.812 -2.728 -8.249 732 HG SER 33 HG SER 33 -8.062 -0.019 -8.956 733 H LEU 34 H LEU 34 -6.985 -1.801 -4.808 734 HA LEU 34 HA LEU 34 -8.200 -4.324 -4.231 735 1HB LEU 34 2HB LEU 34 -6.961 -2.538 -2.137 736 2HB LEU 34 1HB LEU 34 -6.988 -4.291 -2.196 737 HG LEU 34 HG LEU 34 -5.405 -2.451 -3.988 738 1HD1 LEU 34 1HD1 LEU 34 -4.695 -3.172 -1.573 739 2HD1 LEU 34 2HD1 LEU 34 -3.522 -3.128 -2.896 740 3HD1 LEU 34 3HD1 LEU 34 -4.230 -4.671 -2.386 741 1HD2 LEU 34 1HD2 LEU 34 -5.867 -4.115 -5.453 742 2HD2 LEU 34 2HD2 LEU 34 -6.152 -5.282 -4.188 743 3HD2 LEU 34 3HD2 LEU 34 -4.506 -4.874 -4.641 744 H ARG 35 H ARG 35 -8.566 -1.017 -3.188 745 HA ARG 35 HA ARG 35 -10.679 -1.236 -1.321 746 1HB ARG 35 2HB ARG 35 -9.329 0.842 -2.824 747 2HB ARG 35 1HB ARG 35 -11.061 1.131 -2.855 748 1HG ARG 35 2HG ARG 35 -10.991 1.912 -0.753 749 2HG ARG 35 1HG ARG 35 -10.304 0.398 -0.176 750 1HD ARG 35 2HD ARG 35 -8.064 1.348 -1.151 751 2HD ARG 35 1HD ARG 35 -8.902 2.896 -1.082 752 HE ARG 35 HE ARG 35 -7.792 1.509 1.129 753 1HH1 ARG 35 1HH2 ARG 35 -10.672 1.243 1.840 754 2HH1 ARG 35 2HH2 ARG 35 -11.000 2.720 2.683 755 1HH2 ARG 35 1HH1 ARG 35 -8.174 4.331 1.497 756 2HH2 ARG 35 2HH1 ARG 35 -9.587 4.467 2.487 757 H ASP 36 H ASP 36 -10.645 -0.769 -4.812 758 HA ASP 36 HA ASP 36 -13.434 -0.658 -5.253 759 1HB ASP 36 2HB ASP 36 -11.138 -1.448 -7.070 760 2HB ASP 36 1HB ASP 36 -12.783 -1.148 -7.623 761 H ASP 37 H ASP 37 -11.117 -3.318 -5.207 762 HA ASP 37 HA ASP 37 -13.216 -5.262 -4.755 763 1HB ASP 37 2HB ASP 37 -12.008 -4.918 -7.427 764 2HB ASP 37 1HB ASP 37 -11.954 -6.569 -6.813 765 HA PRO 38 HA PRO 38 -9.400 -6.338 -2.575 766 1HB PRO 38 2HB PRO 38 -11.075 -7.694 -0.679 767 2HB PRO 38 1HB PRO 38 -10.127 -6.227 -0.452 768 1HG PRO 38 2HG PRO 38 -12.905 -6.424 -0.537 769 2HG PRO 38 1HG PRO 38 -11.944 -4.942 -0.595 770 1HD PRO 38 2HD PRO 38 -13.388 -6.296 -2.761 771 2HD PRO 38 1HD PRO 38 -12.766 -4.636 -2.685 772 H SER 39 H SER 39 -12.072 -8.173 -3.774 773 HA SER 39 HA SER 39 -11.140 -10.802 -3.265 774 1HB SER 39 2HB SER 39 -12.730 -11.412 -5.113 775 2HB SER 39 1HB SER 39 -13.460 -10.443 -3.839 776 HG SER 39 HG SER 39 -13.014 -8.594 -5.202 777 H GLN 40 H GLN 40 -10.713 -8.502 -5.920 778 HA GLN 40 HA GLN 40 -8.838 -10.331 -7.201 779 1HB GLN 40 2HB GLN 40 -9.464 -7.802 -8.571 780 2HB GLN 40 1HB GLN 40 -9.296 -9.416 -9.201 781 1HG GLN 40 2HG GLN 40 -11.702 -8.579 -7.589 782 2HG GLN 40 1HG GLN 40 -11.641 -8.499 -9.345 783 1HE2 GLN 40 1HE2 GLN 40 -13.003 -10.387 -7.140 784 2HE2 GLN 40 2HE2 GLN 40 -12.780 -11.923 -7.826 785 H SER 41 H SER 41 -8.311 -8.737 -4.712 786 HA SER 41 HA SER 41 -6.697 -6.550 -5.292 787 1HB SER 41 2HB SER 41 -7.317 -7.100 -2.983 788 2HB SER 41 1HB SER 41 -6.471 -8.643 -3.092 789 HG SER 41 HG SER 41 -4.741 -6.773 -3.755 790 H ALA 42 H ALA 42 -6.163 -9.909 -5.489 791 HA ALA 42 HA ALA 42 -3.335 -9.924 -5.871 792 1HB ALA 42 1HB ALA 42 -4.861 -11.831 -5.104 793 2HB ALA 42 2HB ALA 42 -3.624 -12.236 -6.300 794 3HB ALA 42 3HB ALA 42 -5.303 -12.005 -6.806 795 H ASN 43 H ASN 43 -6.128 -9.473 -7.891 796 HA ASN 43 HA ASN 43 -5.039 -10.120 -10.406 797 1HB ASN 43 2HB ASN 43 -7.426 -9.977 -9.768 798 2HB ASN 43 1HB ASN 43 -7.252 -8.221 -9.822 799 1HD2 ASN 43 1HD2 ASN 43 -6.851 -11.146 -11.883 800 2HD2 ASN 43 2HD2 ASN 43 -7.149 -10.336 -13.345 801 H LEU 44 H LEU 44 -5.728 -6.968 -8.915 802 HA LEU 44 HA LEU 44 -4.341 -5.656 -10.989 803 1HB LEU 44 2HB LEU 44 -4.909 -3.571 -9.969 804 2HB LEU 44 1HB LEU 44 -6.308 -4.614 -9.971 805 HG LEU 44 HG LEU 44 -5.984 -3.304 -7.922 806 1HD1 LEU 44 1HD1 LEU 44 -7.059 -4.819 -6.723 807 2HD1 LEU 44 2HD1 LEU 44 -5.829 -6.067 -7.013 808 3HD1 LEU 44 3HD1 LEU 44 -7.038 -5.719 -8.240 809 1HD2 LEU 44 1HD2 LEU 44 -3.412 -3.872 -8.006 810 2HD2 LEU 44 2HD2 LEU 44 -3.958 -5.147 -6.911 811 3HD2 LEU 44 3HD2 LEU 44 -4.259 -3.455 -6.532 812 H LEU 45 H LEU 45 -3.605 -7.021 -7.952 813 HA LEU 45 HA LEU 45 -1.081 -5.764 -7.496 814 1HB LEU 45 2HB LEU 45 -1.779 -7.031 -5.640 815 2HB LEU 45 1HB LEU 45 -2.384 -8.338 -6.645 816 HG LEU 45 HG LEU 45 -0.051 -8.949 -7.241 817 1HD1 LEU 45 1HD1 LEU 45 0.884 -6.652 -6.903 818 2HD1 LEU 45 2HD1 LEU 45 1.819 -7.915 -6.106 819 3HD1 LEU 45 3HD1 LEU 45 0.733 -6.896 -5.163 820 1HD2 LEU 45 1HD2 LEU 45 -1.244 -9.145 -4.590 821 2HD2 LEU 45 2HD2 LEU 45 0.512 -9.258 -4.531 822 3HD2 LEU 45 3HD2 LEU 45 -0.412 -10.368 -5.540 823 H ALA 46 H ALA 46 -2.441 -8.356 -9.331 824 HA ALA 46 HA ALA 46 -0.053 -9.497 -10.368 825 1HB ALA 46 1HB ALA 46 -2.210 -9.660 -12.278 826 2HB ALA 46 2HB ALA 46 -2.871 -9.918 -10.665 827 3HB ALA 46 3HB ALA 46 -1.561 -10.940 -11.257 828 H GLU 47 H GLU 47 -2.294 -6.995 -11.417 829 HA GLU 47 HA GLU 47 -1.085 -6.261 -13.839 830 1HB GLU 47 2HB GLU 47 -2.675 -4.599 -11.863 831 2HB GLU 47 1HB GLU 47 -2.213 -4.059 -13.470 832 1HG GLU 47 2HG GLU 47 -4.000 -6.388 -12.774 833 2HG GLU 47 1HG GLU 47 -4.498 -4.854 -13.466 834 H ALA 48 H ALA 48 -0.461 -5.460 -10.483 835 HA ALA 48 HA ALA 48 1.293 -3.264 -10.925 836 1HB ALA 48 1HB ALA 48 0.078 -4.662 -8.786 837 2HB ALA 48 2HB ALA 48 0.984 -3.151 -8.718 838 3HB ALA 48 3HB ALA 48 1.818 -4.693 -8.505 839 H LYS 49 H LYS 49 1.776 -6.638 -10.036 840 HA LYS 49 HA LYS 49 4.593 -6.584 -10.019 841 1HB LYS 49 2HB LYS 49 2.538 -8.741 -10.347 842 2HB LYS 49 1HB LYS 49 4.261 -9.116 -10.403 843 1HG LYS 49 2HG LYS 49 4.471 -7.935 -8.172 844 2HG LYS 49 1HG LYS 49 2.710 -7.865 -8.127 845 1HD LYS 49 2HD LYS 49 4.282 -10.441 -8.455 846 2HD LYS 49 1HD LYS 49 3.709 -9.843 -6.902 847 1HE LYS 49 2HE LYS 49 1.459 -9.729 -8.593 848 2HE LYS 49 1HE LYS 49 2.240 -11.265 -8.966 849 1HZ LYS 49 1HZ LYS 49 2.161 -11.905 -6.708 850 2HZ LYS 49 2HZ LYS 49 0.612 -11.320 -7.092 851 3HZ LYS 49 3HZ LYS 49 1.690 -10.356 -6.200 852 H LYS 50 H LYS 50 2.214 -7.007 -12.511 853 HA LYS 50 HA LYS 50 4.006 -7.633 -14.658 854 1HB LYS 50 2HB LYS 50 1.155 -6.704 -14.521 855 2HB LYS 50 1HB LYS 50 2.007 -6.862 -16.055 856 1HG LYS 50 2HG LYS 50 2.573 -9.253 -15.371 857 2HG LYS 50 1HG LYS 50 1.436 -9.061 -14.044 858 1HD LYS 50 2HD LYS 50 0.723 -8.638 -16.962 859 2HD LYS 50 1HD LYS 50 0.436 -10.138 -16.084 860 1HE LYS 50 2HE LYS 50 -0.865 -8.701 -14.386 861 2HE LYS 50 1HE LYS 50 -0.819 -7.430 -15.609 862 1HZ LYS 50 1HZ LYS 50 -1.788 -9.076 -17.178 863 2HZ LYS 50 2HZ LYS 50 -2.819 -8.641 -15.898 864 3HZ LYS 50 3HZ LYS 50 -2.006 -10.133 -15.870 865 H LEU 51 H LEU 51 2.528 -4.693 -13.367 866 HA LEU 51 HA LEU 51 3.465 -2.966 -15.430 867 1HB LEU 51 2HB LEU 51 2.076 -2.684 -12.880 868 2HB LEU 51 1HB LEU 51 3.251 -1.404 -13.139 869 HG LEU 51 HG LEU 51 0.964 -0.918 -14.049 870 1HD1 LEU 51 1HD1 LEU 51 1.934 -0.259 -16.370 871 2HD1 LEU 51 2HD1 LEU 51 3.444 -0.938 -15.755 872 3HD1 LEU 51 3HD1 LEU 51 2.676 0.422 -14.917 873 1HD2 LEU 51 1HD2 LEU 51 1.437 -3.499 -15.324 874 2HD2 LEU 51 2HD2 LEU 51 1.064 -2.254 -16.517 875 3HD2 LEU 51 3HD2 LEU 51 -0.059 -2.570 -15.193 876 H ASN 52 H ASN 52 4.654 -3.972 -12.333 877 HA ASN 52 HA ASN 52 6.954 -2.320 -12.233 878 1HB ASN 52 2HB ASN 52 6.244 -3.490 -10.247 879 2HB ASN 52 1HB ASN 52 6.380 -5.047 -11.049 880 1HD2 ASN 52 1HD2 ASN 52 8.601 -5.736 -11.667 881 2HD2 ASN 52 2HD2 ASN 52 9.931 -5.171 -10.779 882 H ASP 53 H ASP 53 6.137 -5.422 -13.589 883 HA ASP 53 HA ASP 53 8.749 -6.058 -14.581 884 1HB ASP 53 2HB ASP 53 6.889 -7.731 -14.318 885 2HB ASP 53 1HB ASP 53 6.088 -6.981 -15.695 886 H ALA 54 H ALA 54 5.983 -4.281 -15.766 887 HA ALA 54 HA ALA 54 6.826 -3.906 -18.448 888 1HB ALA 54 1HB ALA 54 5.051 -1.978 -17.003 889 2HB ALA 54 2HB ALA 54 4.490 -3.616 -17.333 890 3HB ALA 54 3HB ALA 54 4.951 -2.556 -18.666 891 H GLN 55 H GLN 55 7.231 -2.047 -15.472 892 HA GLN 55 HA GLN 55 8.652 0.099 -16.831 893 1HB GLN 55 2HB GLN 55 7.863 -0.367 -13.994 894 2HB GLN 55 1HB GLN 55 8.737 1.053 -14.526 895 1HG GLN 55 2HG GLN 55 6.916 1.895 -15.694 896 2HG GLN 55 1HG GLN 55 6.224 0.298 -15.964 897 1HE2 GLN 55 1HE2 GLN 55 5.908 -0.794 -13.518 898 2HE2 GLN 55 2HE2 GLN 55 4.940 0.184 -12.522 899 H ALA 56 H ALA 56 9.429 -2.907 -15.708 900 HA ALA 56 HA ALA 56 11.848 -2.504 -14.291 901 1HB ALA 56 1HB ALA 56 10.715 -4.673 -14.300 902 2HB ALA 56 2HB ALA 56 12.362 -4.841 -14.902 903 3HB ALA 56 3HB ALA 56 11.011 -4.831 -16.029 904 HA PRO 57 HA PRO 57 14.743 -1.555 -17.408 905 1HB PRO 57 2HB PRO 57 16.887 -3.085 -16.229 906 2HB PRO 57 1HB PRO 57 16.543 -1.361 -16.048 907 1HG PRO 57 2HG PRO 57 16.338 -3.209 -14.046 908 2HG PRO 57 1HG PRO 57 15.503 -1.650 -14.080 909 1HD PRO 57 2HD PRO 57 14.453 -4.369 -14.759 910 2HD PRO 57 1HD PRO 57 13.662 -3.028 -13.894 911 H LYS 58 H LYS 58 13.133 -3.609 -18.200 912 HA LYS 58 HA LYS 58 14.093 -6.031 -19.012 913 1HB LYS 58 2HB LYS 58 12.419 -4.275 -20.756 914 2HB LYS 58 1HB LYS 58 12.440 -6.025 -20.726 915 1HG LYS 58 2HG LYS 58 10.928 -6.091 -19.051 916 2HG LYS 58 1HG LYS 58 11.874 -4.979 -18.073 917 1HD LYS 58 2HD LYS 58 9.979 -3.686 -18.393 918 2HD LYS 58 1HD LYS 58 10.912 -3.181 -19.795 919 1HE LYS 58 2HE LYS 58 8.652 -3.712 -20.518 920 2HE LYS 58 1HE LYS 58 9.745 -4.944 -21.146 921 1HZ LYS 58 1HZ LYS 58 8.471 -5.372 -18.536 922 2HZ LYS 58 2HZ LYS 58 8.968 -6.511 -19.694 923 3HZ LYS 58 3HZ LYS 58 7.548 -5.611 -19.939 Start of MODEL 34 1 1H VAL 1 1HT VAL 1 5.320 -17.013 10.370 2 2H VAL 1 2HT VAL 1 4.770 -16.022 11.635 3 3H VAL 1 3HT VAL 1 6.255 -15.692 10.876 4 HA VAL 1 HA VAL 1 3.684 -15.662 9.417 5 HB VAL 1 HB VAL 1 4.087 -13.073 9.625 6 1HG1 VAL 1 1HG1 VAL 1 3.009 -14.742 11.921 7 2HG1 VAL 1 2HG1 VAL 1 2.108 -14.226 10.495 8 3HG1 VAL 1 3HG1 VAL 1 2.666 -13.031 11.665 9 1HG2 VAL 1 1HG2 VAL 1 5.373 -14.034 12.208 10 2HG2 VAL 1 2HG2 VAL 1 5.117 -12.363 11.711 11 3HG2 VAL 1 3HG2 VAL 1 6.280 -13.368 10.851 12 H ASP 2 H ASP 2 4.183 -15.881 7.346 13 HA ASP 2 HA ASP 2 6.861 -15.455 6.355 14 1HB ASP 2 2HB ASP 2 5.519 -17.327 5.526 15 2HB ASP 2 1HB ASP 2 4.302 -16.209 4.920 16 H ASN 3 H ASN 3 7.645 -13.663 5.505 17 HA ASN 3 HA ASN 3 7.824 -11.530 4.695 18 1HB ASN 3 2HB ASN 3 5.233 -12.213 3.273 19 2HB ASN 3 1HB ASN 3 6.379 -10.955 2.820 20 1HD2 ASN 3 1HD2 ASN 3 5.459 -13.786 1.654 21 2HD2 ASN 3 2HD2 ASN 3 6.942 -14.453 1.165 22 H LYS 4 H LYS 4 6.791 -11.628 7.242 23 HA LYS 4 HA LYS 4 4.362 -10.308 7.684 24 1HB LYS 4 2HB LYS 4 5.623 -11.432 9.470 25 2HB LYS 4 1HB LYS 4 6.889 -10.211 9.361 26 1HG LYS 4 2HG LYS 4 5.509 -9.557 11.196 27 2HG LYS 4 1HG LYS 4 5.058 -8.485 9.872 28 1HD LYS 4 2HD LYS 4 3.127 -9.917 9.346 29 2HD LYS 4 1HD LYS 4 3.597 -11.032 10.627 30 1HE LYS 4 2HE LYS 4 1.850 -9.589 11.491 31 2HE LYS 4 1HE LYS 4 3.366 -9.128 12.266 32 1HZ LYS 4 1HZ LYS 4 2.429 -7.801 9.796 33 2HZ LYS 4 2HZ LYS 4 3.563 -7.245 10.933 34 3HZ LYS 4 3HZ LYS 4 1.910 -7.282 11.325 35 H PHE 5 H PHE 5 7.611 -9.017 7.098 36 HA PHE 5 HA PHE 5 7.061 -6.321 7.600 37 1HB PHE 5 2HB PHE 5 9.136 -5.845 6.653 38 2HB PHE 5 1HB PHE 5 9.338 -7.518 7.163 39 HD1 PHE 5 1HD PHE 5 9.377 -5.224 4.382 40 HD2 PHE 5 2HD PHE 5 8.937 -9.375 5.424 41 HE1 PHE 5 1HE PHE 5 9.876 -5.871 2.040 42 HE2 PHE 5 2HE PHE 5 9.436 -10.016 3.082 43 HZ PHE 5 HZ PHE 5 9.905 -8.265 1.391 44 H ASN 6 H ASN 6 6.656 -8.297 4.681 45 HA ASN 6 HA ASN 6 5.900 -6.186 2.933 46 1HB ASN 6 2HB ASN 6 6.587 -8.409 2.121 47 2HB ASN 6 1HB ASN 6 5.150 -9.108 2.854 48 1HD2 ASN 6 1HD2 ASN 6 3.748 -9.595 1.184 49 2HD2 ASN 6 2HD2 ASN 6 3.352 -8.542 -0.089 50 H LYS 7 H LYS 7 4.096 -8.446 4.980 51 HA LYS 7 HA LYS 7 1.504 -7.641 4.244 52 1HB LYS 7 2HB LYS 7 2.190 -9.698 5.609 53 2HB LYS 7 1HB LYS 7 2.322 -8.616 6.992 54 1HG LYS 7 2HG LYS 7 -0.008 -8.014 6.841 55 2HG LYS 7 1HG LYS 7 -0.183 -8.863 5.305 56 1HD LYS 7 2HD LYS 7 0.854 -10.539 7.510 57 2HD LYS 7 1HD LYS 7 -0.788 -9.949 7.755 58 1HE LYS 7 2HE LYS 7 -1.399 -10.810 5.488 59 2HE LYS 7 1HE LYS 7 0.229 -11.475 5.342 60 1HZ LYS 7 1HZ LYS 7 -1.493 -13.065 6.148 61 2HZ LYS 7 2HZ LYS 7 -1.608 -12.143 7.570 62 3HZ LYS 7 3HZ LYS 7 -0.147 -12.909 7.167 63 H GLU 8 H GLU 8 3.819 -6.542 6.662 64 HA GLU 8 HA GLU 8 2.103 -4.574 7.794 65 1HB GLU 8 2HB GLU 8 3.793 -5.300 9.229 66 2HB GLU 8 1HB GLU 8 5.034 -5.202 7.987 67 1HG GLU 8 2HG GLU 8 3.791 -2.593 8.561 68 2HG GLU 8 1HG GLU 8 4.546 -3.310 9.975 69 H LEU 9 H LEU 9 4.551 -4.566 5.313 70 HA LEU 9 HA LEU 9 4.684 -1.779 4.756 71 1HB LEU 9 2HB LEU 9 6.355 -3.288 3.890 72 2HB LEU 9 1HB LEU 9 5.134 -4.248 3.072 73 HG LEU 9 HG LEU 9 4.587 -2.117 1.735 74 1HD1 LEU 9 1HD1 LEU 9 7.307 -1.150 1.887 75 2HD1 LEU 9 2HD1 LEU 9 6.515 -0.971 3.455 76 3HD1 LEU 9 3HD1 LEU 9 5.801 -0.273 1.999 77 1HD2 LEU 9 1HD2 LEU 9 7.205 -3.589 1.495 78 2HD2 LEU 9 2HD2 LEU 9 6.566 -2.509 0.249 79 3HD2 LEU 9 3HD2 LEU 9 5.674 -3.960 0.701 80 H GLY 10 H GLY 10 2.572 -4.372 3.640 81 1HA GLY 10 2HA GLY 10 1.070 -2.695 1.904 82 2HA GLY 10 1HA GLY 10 0.665 -4.329 2.406 83 H TRP 11 H TRP 11 0.752 -3.960 5.208 84 HA TRP 11 HA TRP 11 -1.826 -2.951 5.486 85 1HB TRP 11 2HB TRP 11 -0.532 -4.698 6.980 86 2HB TRP 11 1HB TRP 11 -0.286 -3.248 7.959 87 HD1 TRP 11 HD TRP 11 -1.997 -3.788 9.802 88 HE1 TRP 11 1HE TRP 11 -4.566 -3.957 9.881 89 HE3 TRP 11 3HE TRP 11 -3.141 -3.769 4.790 90 HZ2 TRP 11 2HZ TRP 11 -6.791 -3.990 8.116 91 HZ3 TRP 11 3HZ TRP 11 -5.450 -3.825 4.030 92 HH2 TRP 11 HH TRP 11 -7.308 -3.954 5.686 93 H ALA 12 H ALA 12 1.220 -1.642 6.622 94 HA ALA 12 HA ALA 12 0.066 0.600 7.797 95 1HB ALA 12 1HB ALA 12 2.750 -0.244 6.990 96 2HB ALA 12 2HB ALA 12 2.248 0.676 8.400 97 3HB ALA 12 3HB ALA 12 2.524 1.499 6.864 98 H THR 13 H THR 13 1.023 -0.137 4.463 99 HA THR 13 HA THR 13 0.671 2.356 3.219 100 HB THR 13 HB THR 13 0.485 -0.499 2.414 101 HG1 THR 13 1HG THR 13 2.329 1.139 2.477 102 1HG2 THR 13 1HG2 THR 13 -0.523 1.812 0.744 103 2HG2 THR 13 2HG2 THR 13 -1.418 0.357 1.205 104 3HG2 THR 13 3HG2 THR 13 -0.066 0.245 0.074 105 H TRP 14 H TRP 14 -1.613 -0.250 3.879 106 HA TRP 14 HA TRP 14 -3.921 0.963 2.802 107 1HB TRP 14 2HB TRP 14 -3.451 -1.464 3.468 108 2HB TRP 14 1HB TRP 14 -3.892 -0.978 5.093 109 HD1 TRP 14 HD TRP 14 -6.372 -0.911 5.654 110 HE1 TRP 14 1HE TRP 14 -8.547 -1.208 4.317 111 HE3 TRP 14 3HE TRP 14 -4.514 -0.830 0.871 112 HZ2 TRP 14 2HZ TRP 14 -9.375 -1.396 1.601 113 HZ3 TRP 14 3HZ TRP 14 -6.017 -1.077 -1.025 114 HH2 TRP 14 HH TRP 14 -8.411 -1.359 -0.669 115 H GLU 15 H GLU 15 -2.698 0.772 6.131 116 HA GLU 15 HA GLU 15 -4.860 2.074 7.366 117 1HB GLU 15 2HB GLU 15 -1.946 1.852 8.159 118 2HB GLU 15 1HB GLU 15 -3.223 2.453 9.220 119 1HG GLU 15 2HG GLU 15 -4.386 0.347 9.167 120 2HG GLU 15 1HG GLU 15 -3.372 -0.263 7.862 121 H ILE 16 H ILE 16 -1.913 3.297 5.863 122 HA ILE 16 HA ILE 16 -2.349 6.076 6.521 123 HB ILE 16 HB ILE 16 -0.682 4.744 4.330 124 1HG1 ILE 16 2HG1 ILE 16 0.234 5.938 6.948 125 2HG1 ILE 16 1HG1 ILE 16 -0.060 4.235 6.744 126 1HG2 ILE 16 1HG2 ILE 16 -0.801 7.601 5.312 127 2HG2 ILE 16 2HG2 ILE 16 -1.040 7.018 3.669 128 3HG2 ILE 16 3HG2 ILE 16 0.561 6.961 4.401 129 1HD1 ILE 16 1HD1 ILE 16 2.341 5.562 6.222 130 2HD1 ILE 16 2HD1 ILE 16 1.647 5.309 4.616 131 3HD1 ILE 16 3HD1 ILE 16 1.925 3.935 5.694 132 H PHE 17 H PHE 17 -3.107 3.877 3.894 133 HA PHE 17 HA PHE 17 -4.158 5.660 1.960 134 1HB PHE 17 2HB PHE 17 -3.576 3.039 1.991 135 2HB PHE 17 1HB PHE 17 -5.287 2.914 2.300 136 HD1 PHE 17 1HD PHE 17 -2.738 4.212 -0.088 137 HD2 PHE 17 2HD PHE 17 -6.870 3.227 0.565 138 HE1 PHE 17 1HE PHE 17 -3.150 4.360 -2.521 139 HE2 PHE 17 2HE PHE 17 -7.296 3.389 -1.867 140 HZ PHE 17 HZ PHE 17 -5.427 3.946 -3.404 141 H ASN 18 H ASN 18 -5.547 3.944 4.697 142 HA ASN 18 HA ASN 18 -8.253 4.868 4.158 143 1HB ASN 18 2HB ASN 18 -7.045 3.061 6.257 144 2HB ASN 18 1HB ASN 18 -8.742 3.529 6.262 145 1HD2 ASN 18 1HD2 ASN 18 -6.469 2.456 3.648 146 2HD2 ASN 18 2HD2 ASN 18 -7.513 1.260 3.051 147 H LEU 19 H LEU 19 -5.679 6.452 5.531 148 HA LEU 19 HA LEU 19 -6.880 7.338 7.948 149 1HB LEU 19 2HB LEU 19 -4.485 8.082 6.413 150 2HB LEU 19 1HB LEU 19 -5.172 9.384 7.374 151 HG LEU 19 HG LEU 19 -4.396 6.633 8.419 152 1HD1 LEU 19 1HD1 LEU 19 -2.365 7.543 8.574 153 2HD1 LEU 19 2HD1 LEU 19 -3.036 8.693 9.721 154 3HD1 LEU 19 3HD1 LEU 19 -2.973 9.099 8.023 155 1HD2 LEU 19 1HD2 LEU 19 -6.203 8.536 9.506 156 2HD2 LEU 19 2HD2 LEU 19 -4.717 8.675 10.437 157 3HD2 LEU 19 3HD2 LEU 19 -5.538 7.114 10.297 158 HA PRO 20 HA PRO 20 -9.779 10.046 5.964 159 1HB PRO 20 2HB PRO 20 -10.535 11.146 8.529 160 2HB PRO 20 1HB PRO 20 -11.383 9.937 7.555 161 1HG PRO 20 2HG PRO 20 -10.221 9.436 9.963 162 2HG PRO 20 1HG PRO 20 -10.466 8.210 8.707 163 1HD PRO 20 2HD PRO 20 -7.982 9.758 9.363 164 2HD PRO 20 1HD PRO 20 -8.162 8.035 8.992 165 H ASN 21 H ASN 21 -6.854 11.287 6.828 166 HA ASN 21 HA ASN 21 -7.873 14.026 6.291 167 1HB ASN 21 2HB ASN 21 -6.138 13.379 8.667 168 2HB ASN 21 1HB ASN 21 -6.513 14.997 8.109 169 1HD2 ASN 21 1HD2 ASN 21 -7.682 12.347 10.000 170 2HD2 ASN 21 2HD2 ASN 21 -9.206 13.001 10.351 171 H LEU 22 H LEU 22 -5.597 11.717 5.554 172 HA LEU 22 HA LEU 22 -3.400 13.530 5.011 173 1HB LEU 22 2HB LEU 22 -3.843 10.677 4.131 174 2HB LEU 22 1HB LEU 22 -2.339 11.586 3.964 175 HG LEU 22 HG LEU 22 -3.726 10.955 6.588 176 1HD1 LEU 22 1HD1 LEU 22 -1.403 9.724 6.793 177 2HD1 LEU 22 2HD1 LEU 22 -1.508 9.697 5.035 178 3HD1 LEU 22 3HD1 LEU 22 -2.773 8.949 6.004 179 1HD2 LEU 22 1HD2 LEU 22 -1.348 12.609 5.820 180 2HD2 LEU 22 2HD2 LEU 22 -1.281 11.687 7.317 181 3HD2 LEU 22 3HD2 LEU 22 -2.546 12.895 7.091 182 H ASN 23 H ASN 23 -2.595 14.107 2.960 183 HA ASN 23 HA ASN 23 -4.715 14.283 0.927 184 1HB ASN 23 2HB ASN 23 -3.791 16.248 0.224 185 2HB ASN 23 1HB ASN 23 -3.185 16.269 1.874 186 1HD2 ASN 23 1HD2 ASN 23 -2.239 16.567 -1.342 187 2HD2 ASN 23 2HD2 ASN 23 -0.582 16.279 -1.147 188 H GLY 24 H GLY 24 -4.030 13.998 -1.355 189 1HA GLY 24 2HA GLY 24 -3.210 11.452 -1.913 190 2HA GLY 24 1HA GLY 24 -3.072 12.776 -3.059 191 H VAL 25 H VAL 25 -1.093 14.318 -1.724 192 HA VAL 25 HA VAL 25 1.246 12.923 -2.578 193 HB VAL 25 HB VAL 25 0.961 15.534 -1.098 194 1HG1 VAL 25 1HG1 VAL 25 3.199 14.854 -0.719 195 2HG1 VAL 25 2HG1 VAL 25 3.309 15.843 -2.175 196 3HG1 VAL 25 3HG1 VAL 25 3.319 14.083 -2.301 197 1HG2 VAL 25 1HG2 VAL 25 1.572 16.331 -3.490 198 2HG2 VAL 25 2HG2 VAL 25 -0.067 15.728 -3.239 199 3HG2 VAL 25 3HG2 VAL 25 1.148 14.693 -3.996 200 H GLN 26 H GLN 26 0.065 13.849 0.700 201 HA GLN 26 HA GLN 26 2.322 12.847 2.040 202 1HB GLN 26 2HB GLN 26 -0.424 13.624 2.792 203 2HB GLN 26 1HB GLN 26 0.403 12.529 3.899 204 1HG GLN 26 2HG GLN 26 2.025 14.071 4.458 205 2HG GLN 26 1HG GLN 26 1.989 14.840 2.868 206 1HE2 GLN 26 1HE2 GLN 26 -0.107 14.400 5.723 207 2HE2 GLN 26 2HE2 GLN 26 -0.788 15.950 5.653 208 H VAL 27 H VAL 27 -0.735 11.294 1.135 209 HA VAL 27 HA VAL 27 -0.176 8.788 2.351 210 HB VAL 27 HB VAL 27 -1.868 9.386 -0.099 211 1HG1 VAL 27 1HG1 VAL 27 -3.003 7.211 0.751 212 2HG1 VAL 27 2HG1 VAL 27 -1.506 6.947 1.648 213 3HG1 VAL 27 3HG1 VAL 27 -1.473 7.048 -0.112 214 1HG2 VAL 27 1HG2 VAL 27 -3.744 9.375 1.491 215 2HG2 VAL 27 2HG2 VAL 27 -2.566 10.592 1.972 216 3HG2 VAL 27 3HG2 VAL 27 -2.637 9.052 2.825 217 H LYS 28 H LYS 28 0.414 10.080 -0.890 218 HA LYS 28 HA LYS 28 1.647 7.774 -1.971 219 1HB LYS 28 2HB LYS 28 1.616 10.690 -2.736 220 2HB LYS 28 1HB LYS 28 2.715 9.573 -3.548 221 1HG LYS 28 2HG LYS 28 0.752 8.076 -4.007 222 2HG LYS 28 1HG LYS 28 -0.304 9.334 -3.381 223 1HD LYS 28 2HD LYS 28 1.672 9.878 -5.605 224 2HD LYS 28 1HD LYS 28 0.063 9.247 -5.932 225 1HE LYS 28 2HE LYS 28 0.549 11.771 -4.329 226 2HE LYS 28 1HE LYS 28 0.269 11.771 -6.068 227 1HZ LYS 28 1HZ LYS 28 -1.806 12.115 -5.008 228 2HZ LYS 28 2HZ LYS 28 -1.570 10.807 -3.950 229 3HZ LYS 28 3HZ LYS 28 -1.821 10.528 -5.608 230 H ALA 29 H ALA 29 2.871 10.452 -0.080 231 HA ALA 29 HA ALA 29 5.629 9.943 -0.443 232 1HB ALA 29 1HB ALA 29 5.966 11.478 1.357 233 2HB ALA 29 2HB ALA 29 4.296 11.284 1.890 234 3HB ALA 29 3HB ALA 29 4.648 12.098 0.365 235 H PHE 30 H PHE 30 3.262 9.073 2.019 236 HA PHE 30 HA PHE 30 5.049 7.736 3.701 237 1HB PHE 30 2HB PHE 30 2.086 7.374 3.298 238 2HB PHE 30 1HB PHE 30 3.019 6.682 4.620 239 HD1 PHE 30 1HD PHE 30 0.694 9.066 4.251 240 HD2 PHE 30 2HD PHE 30 4.850 8.845 5.410 241 HE1 PHE 30 1HE PHE 30 0.462 11.144 5.546 242 HE2 PHE 30 2HE PHE 30 4.587 10.941 6.675 243 HZ PHE 30 HZ PHE 30 2.400 12.074 6.744 244 H ILE 31 H ILE 31 3.076 6.845 0.932 245 HA ILE 31 HA ILE 31 3.671 4.087 0.941 246 HB ILE 31 HB ILE 31 2.746 5.990 -1.190 247 1HG1 ILE 31 2HG1 ILE 31 1.566 3.431 -0.046 248 2HG1 ILE 31 1HG1 ILE 31 1.154 5.052 0.498 249 1HG2 ILE 31 1HG2 ILE 31 4.163 4.616 -2.527 250 2HG2 ILE 31 2HG2 ILE 31 2.581 3.858 -2.671 251 3HG2 ILE 31 3HG2 ILE 31 3.790 3.168 -1.594 252 1HD1 ILE 31 1HD1 ILE 31 0.799 4.080 -2.346 253 2HD1 ILE 31 2HD1 ILE 31 0.238 5.610 -1.673 254 3HD1 ILE 31 3HD1 ILE 31 -0.485 4.091 -1.137 255 H ASP 32 H ASP 32 5.116 6.842 -0.693 256 HA ASP 32 HA ASP 32 7.138 5.495 -2.035 257 1HB ASP 32 2HB ASP 32 6.968 8.319 -0.989 258 2HB ASP 32 1HB ASP 32 8.317 7.755 -1.977 259 H SER 33 H SER 33 7.100 6.823 1.180 260 HA SER 33 HA SER 33 9.812 6.243 1.838 261 1HB SER 33 2HB SER 33 7.363 6.650 3.582 262 2HB SER 33 1HB SER 33 9.029 6.590 4.169 263 HG SER 33 HG SER 33 7.978 8.407 2.253 264 H LEU 34 H LEU 34 6.775 4.563 2.051 265 HA LEU 34 HA LEU 34 7.467 2.254 3.575 266 1HB LEU 34 2HB LEU 34 5.325 3.230 1.822 267 2HB LEU 34 1HB LEU 34 5.543 1.514 1.787 268 HG LEU 34 HG LEU 34 5.630 2.475 4.485 269 1HD1 LEU 34 1HD1 LEU 34 2.966 2.782 4.263 270 2HD1 LEU 34 2HD1 LEU 34 3.463 3.451 2.717 271 3HD1 LEU 34 3HD1 LEU 34 4.080 4.145 4.212 272 1HD2 LEU 34 1HD2 LEU 34 4.088 0.517 2.832 273 2HD2 LEU 34 2HD2 LEU 34 3.640 0.817 4.512 274 3HD2 LEU 34 3HD2 LEU 34 5.240 0.227 4.111 275 H ARG 35 H ARG 35 7.246 2.742 0.056 276 HA ARG 35 HA ARG 35 8.296 0.198 -0.684 277 1HB ARG 35 2HB ARG 35 9.021 2.248 -2.623 278 2HB ARG 35 1HB ARG 35 7.912 0.893 -2.802 279 1HG ARG 35 2HG ARG 35 6.210 2.251 -1.538 280 2HG ARG 35 1HG ARG 35 7.328 3.596 -1.624 281 1HD ARG 35 2HD ARG 35 5.389 2.761 -3.546 282 2HD ARG 35 1HD ARG 35 6.436 4.168 -3.582 283 HE ARG 35 HE ARG 35 7.987 2.929 -4.862 284 1HH1 ARG 35 1HH2 ARG 35 6.067 0.570 -3.498 285 2HH1 ARG 35 2HH2 ARG 35 5.873 -0.376 -4.944 286 1HH2 ARG 35 1HH1 ARG 35 7.290 2.041 -7.003 287 2HH2 ARG 35 2HH1 ARG 35 6.585 0.460 -6.934 288 H ASP 36 H ASP 36 9.802 3.367 -0.287 289 HA ASP 36 HA ASP 36 12.433 2.697 -1.007 290 1HB ASP 36 2HB ASP 36 11.532 5.013 -0.741 291 2HB ASP 36 1HB ASP 36 11.577 4.754 0.990 292 H ASP 37 H ASP 37 10.632 2.434 1.962 293 HA ASP 37 HA ASP 37 12.582 0.596 3.048 294 1HB ASP 37 2HB ASP 37 13.360 2.932 3.711 295 2HB ASP 37 1HB ASP 37 11.899 3.041 4.689 296 HA PRO 38 HA PRO 38 8.370 -0.607 4.105 297 1HB PRO 38 2HB PRO 38 9.301 -3.310 4.142 298 2HB PRO 38 1HB PRO 38 8.236 -2.531 2.986 299 1HG PRO 38 2HG PRO 38 10.807 -3.416 2.491 300 2HG PRO 38 1HG PRO 38 9.872 -2.302 1.482 301 1HD PRO 38 2HD PRO 38 12.091 -1.720 3.356 302 2HD PRO 38 1HD PRO 38 11.529 -0.807 1.937 303 H SER 39 H SER 39 11.399 -1.336 5.614 304 HA SER 39 HA SER 39 10.389 -2.591 7.962 305 1HB SER 39 2HB SER 39 12.817 -2.586 7.241 306 2HB SER 39 1HB SER 39 12.903 -0.904 7.753 307 HG SER 39 HG SER 39 12.201 -1.630 9.835 308 H GLN 40 H GLN 40 10.469 0.603 6.739 309 HA GLN 40 HA GLN 40 9.933 1.898 9.299 310 1HB GLN 40 2HB GLN 40 10.924 2.713 6.662 311 2HB GLN 40 1HB GLN 40 9.744 3.833 7.326 312 1HG GLN 40 2HG GLN 40 11.855 4.580 8.114 313 2HG GLN 40 1HG GLN 40 11.091 3.786 9.486 314 1HE2 GLN 40 1HE2 GLN 40 13.942 3.864 7.613 315 2HE2 GLN 40 2HE2 GLN 40 14.614 2.398 8.143 316 H SER 41 H SER 41 8.018 0.339 7.056 317 HA SER 41 HA SER 41 5.970 2.023 6.349 318 1HB SER 41 2HB SER 41 5.419 -0.725 7.443 319 2HB SER 41 1HB SER 41 4.575 0.121 6.168 320 HG SER 41 HG SER 41 6.742 -1.450 6.034 321 H ALA 42 H ALA 42 6.477 0.482 9.485 322 HA ALA 42 HA ALA 42 4.022 1.156 10.720 323 1HB ALA 42 1HB ALA 42 6.757 0.893 11.974 324 2HB ALA 42 2HB ALA 42 5.725 -0.484 11.563 325 3HB ALA 42 3HB ALA 42 5.199 0.680 12.780 326 H ASN 43 H ASN 43 7.122 2.710 10.419 327 HA ASN 43 HA ASN 43 6.673 4.890 12.137 328 1HB ASN 43 2HB ASN 43 8.632 4.102 10.038 329 2HB ASN 43 1HB ASN 43 8.631 5.779 10.601 330 1HD2 ASN 43 1HD2 ASN 43 9.867 2.687 11.262 331 2HD2 ASN 43 2HD2 ASN 43 10.348 2.952 12.868 332 H LEU 44 H LEU 44 6.189 4.318 8.766 333 HA LEU 44 HA LEU 44 5.602 7.001 7.972 334 1HB LEU 44 2HB LEU 44 5.089 4.324 6.631 335 2HB LEU 44 1HB LEU 44 5.119 5.911 5.834 336 HG LEU 44 HG LEU 44 7.429 4.919 7.498 337 1HD1 LEU 44 1HD1 LEU 44 7.475 3.313 5.876 338 2HD1 LEU 44 2HD1 LEU 44 8.518 4.563 5.205 339 3HD1 LEU 44 3HD1 LEU 44 6.855 4.395 4.629 340 1HD2 LEU 44 1HD2 LEU 44 7.383 7.237 7.253 341 2HD2 LEU 44 2HD2 LEU 44 7.005 7.119 5.536 342 3HD2 LEU 44 3HD2 LEU 44 8.596 6.637 6.124 343 H LEU 45 H LEU 45 3.961 4.193 8.932 344 HA LEU 45 HA LEU 45 1.277 5.082 8.520 345 1HB LEU 45 2HB LEU 45 1.595 2.741 8.790 346 2HB LEU 45 1HB LEU 45 2.569 2.958 10.239 347 HG LEU 45 HG LEU 45 0.606 3.742 11.473 348 1HD1 LEU 45 1HD1 LEU 45 -0.736 4.862 9.896 349 2HD1 LEU 45 2HD1 LEU 45 -1.655 3.398 10.243 350 3HD1 LEU 45 3HD1 LEU 45 -0.701 3.508 8.766 351 1HD2 LEU 45 1HD2 LEU 45 0.197 1.161 9.936 352 2HD2 LEU 45 2HD2 LEU 45 -0.692 1.604 11.395 353 3HD2 LEU 45 3HD2 LEU 45 1.052 1.362 11.466 354 H ALA 46 H ALA 46 3.665 5.244 11.036 355 HA ALA 46 HA ALA 46 2.116 6.420 13.075 356 1HB ALA 46 1HB ALA 46 4.151 6.737 14.209 357 2HB ALA 46 2HB ALA 46 5.044 6.952 12.700 358 3HB ALA 46 3HB ALA 46 4.491 5.346 13.181 359 H GLU 47 H GLU 47 4.253 7.649 10.611 360 HA GLU 47 HA GLU 47 4.101 10.387 11.184 361 1HB GLU 47 2HB GLU 47 4.747 8.713 8.795 362 2HB GLU 47 1HB GLU 47 4.649 10.464 8.633 363 1HG GLU 47 2HG GLU 47 6.493 8.892 10.436 364 2HG GLU 47 1HG GLU 47 6.939 9.816 9.006 365 H ALA 48 H ALA 48 2.222 8.197 9.217 366 HA ALA 48 HA ALA 48 0.641 10.142 7.940 367 1HB ALA 48 1HB ALA 48 0.822 8.005 6.973 368 2HB ALA 48 2HB ALA 48 -0.822 8.086 7.579 369 3HB ALA 48 3HB ALA 48 0.402 7.201 8.482 370 H LYS 49 H LYS 49 0.157 8.076 10.798 371 HA LYS 49 HA LYS 49 -2.407 9.052 11.480 372 1HB LYS 49 2HB LYS 49 -0.194 7.816 13.119 373 2HB LYS 49 1HB LYS 49 -1.743 8.294 13.820 374 1HG LYS 49 2HG LYS 49 -2.924 6.867 12.178 375 2HG LYS 49 1HG LYS 49 -1.377 6.366 11.507 376 1HD LYS 49 2HD LYS 49 -0.736 5.394 13.683 377 2HD LYS 49 1HD LYS 49 -2.283 5.904 14.367 378 1HE LYS 49 2HE LYS 49 -3.410 4.191 13.393 379 2HE LYS 49 1HE LYS 49 -2.557 4.386 11.863 380 1HZ LYS 49 1HZ LYS 49 -1.557 2.999 14.291 381 2HZ LYS 49 2HZ LYS 49 -0.625 3.288 12.901 382 3HZ LYS 49 3HZ LYS 49 -1.990 2.279 12.817 383 H LYS 50 H LYS 50 0.838 10.273 11.911 384 HA LYS 50 HA LYS 50 0.115 12.304 13.771 385 1HB LYS 50 2HB LYS 50 2.414 11.321 13.545 386 2HB LYS 50 1HB LYS 50 2.549 12.143 11.995 387 1HG LYS 50 2HG LYS 50 2.251 14.322 13.099 388 2HG LYS 50 1HG LYS 50 2.057 13.515 14.656 389 1HD LYS 50 2HD LYS 50 4.334 14.142 14.646 390 2HD LYS 50 1HD LYS 50 4.365 12.445 14.163 391 1HE LYS 50 2HE LYS 50 4.375 13.204 11.758 392 2HE LYS 50 1HE LYS 50 4.555 14.860 12.337 393 1HZ LYS 50 1HZ LYS 50 6.542 13.993 13.608 394 2HZ LYS 50 2HZ LYS 50 6.713 14.099 11.922 395 3HZ LYS 50 3HZ LYS 50 6.430 12.594 12.657 396 H LEU 51 H LEU 51 0.633 12.100 10.319 397 HA LEU 51 HA LEU 51 0.222 14.858 9.811 398 1HB LEU 51 2HB LEU 51 0.524 12.404 8.165 399 2HB LEU 51 1HB LEU 51 -0.351 13.742 7.427 400 HG LEU 51 HG LEU 51 1.971 13.970 6.851 401 1HD1 LEU 51 1HD1 LEU 51 2.178 16.203 7.295 402 2HD1 LEU 51 2HD1 LEU 51 1.825 16.008 9.011 403 3HD1 LEU 51 3HD1 LEU 51 0.513 15.983 7.833 404 1HD2 LEU 51 1HD2 LEU 51 2.396 13.492 9.789 405 2HD2 LEU 51 2HD2 LEU 51 3.583 14.425 8.879 406 3HD2 LEU 51 3HD2 LEU 51 3.226 12.767 8.412 407 H ASN 52 H ASN 52 -1.775 11.991 9.700 408 HA ASN 52 HA ASN 52 -4.145 13.129 8.737 409 1HB ASN 52 2HB ASN 52 -3.748 10.720 8.865 410 2HB ASN 52 1HB ASN 52 -3.713 10.799 10.623 411 1HD2 ASN 52 1HD2 ASN 52 -5.758 11.127 11.739 412 2HD2 ASN 52 2HD2 ASN 52 -7.241 10.969 10.929 413 H ASP 53 H ASP 53 -2.857 12.570 11.985 414 HA ASP 53 HA ASP 53 -5.034 13.621 13.407 415 1HB ASP 53 2HB ASP 53 -3.409 12.222 14.514 416 2HB ASP 53 1HB ASP 53 -2.135 13.398 14.204 417 H ALA 54 H ALA 54 -2.080 15.053 12.156 418 HA ALA 54 HA ALA 54 -2.390 17.629 13.257 419 1HB ALA 54 1HB ALA 54 -0.245 17.015 12.398 420 2HB ALA 54 2HB ALA 54 -0.854 18.286 11.338 421 3HB ALA 54 3HB ALA 54 -0.924 16.599 10.826 422 H GLN 55 H GLN 55 -3.491 16.064 10.305 423 HA GLN 55 HA GLN 55 -4.823 18.477 9.326 424 1HB GLN 55 2HB GLN 55 -4.490 15.666 8.271 425 2HB GLN 55 1HB GLN 55 -5.460 16.896 7.448 426 1HG GLN 55 2HG GLN 55 -3.554 18.314 7.128 427 2HG GLN 55 1HG GLN 55 -2.565 17.348 8.222 428 1HE2 GLN 55 1HE2 GLN 55 -2.564 14.866 7.464 429 2HE2 GLN 55 2HE2 GLN 55 -2.252 14.645 5.811 430 H ALA 56 H ALA 56 -5.552 16.394 11.700 431 HA ALA 56 HA ALA 56 -8.170 15.495 11.062 432 1HB ALA 56 1HB ALA 56 -7.036 16.008 13.817 433 2HB ALA 56 2HB ALA 56 -6.744 14.541 12.887 434 3HB ALA 56 3HB ALA 56 -8.381 14.946 13.402 435 HA PRO 57 HA PRO 57 -10.607 19.039 11.819 436 1HB PRO 57 2HB PRO 57 -12.825 17.491 12.848 437 2HB PRO 57 1HB PRO 57 -12.580 18.087 11.201 438 1HG PRO 57 2HG PRO 57 -12.569 15.460 11.887 439 2HG PRO 57 1HG PRO 57 -11.688 16.124 10.500 440 1HD PRO 57 2HD PRO 57 -10.664 15.487 13.245 441 2HD PRO 57 1HD PRO 57 -9.950 15.094 11.661 442 H LYS 58 H LYS 58 -8.896 18.359 14.026 443 HA LYS 58 HA LYS 58 -10.369 18.666 16.485 444 1HB LYS 58 2HB LYS 58 -7.441 18.787 15.896 445 2HB LYS 58 1HB LYS 58 -8.119 18.867 17.513 446 1HG LYS 58 2HG LYS 58 -9.279 16.649 16.986 447 2HG LYS 58 1HG LYS 58 -8.257 16.558 15.553 448 1HD LYS 58 2HD LYS 58 -7.175 16.887 18.369 449 2HD LYS 58 1HD LYS 58 -7.342 15.328 17.564 450 1HE LYS 58 2HE LYS 58 -5.794 15.987 15.823 451 2HE LYS 58 1HE LYS 58 -5.734 17.640 16.434 452 1HZ LYS 58 1HZ LYS 58 -4.969 15.318 18.097 453 2HZ LYS 58 2HZ LYS 58 -4.619 16.961 18.356 454 3HZ LYS 58 3HZ LYS 58 -3.855 16.113 17.096 455 1H VAL 1 1HT VAL 1 -18.066 -8.038 6.368 456 2H VAL 1 2HT VAL 1 -18.674 -6.554 6.930 457 3H VAL 1 3HT VAL 1 -17.158 -6.620 6.165 458 HA VAL 1 HA VAL 1 -19.628 -7.444 4.775 459 HB VAL 1 HB VAL 1 -19.926 -5.124 5.601 460 1HG1 VAL 1 1HG1 VAL 1 -18.426 -3.350 5.026 461 2HG1 VAL 1 2HG1 VAL 1 -17.503 -4.384 3.937 462 3HG1 VAL 1 3HG1 VAL 1 -17.419 -4.641 5.680 463 1HG2 VAL 1 1HG2 VAL 1 -20.471 -4.121 3.466 464 2HG2 VAL 1 2HG2 VAL 1 -20.761 -5.855 3.331 465 3HG2 VAL 1 3HG2 VAL 1 -19.307 -5.147 2.628 466 H ASP 2 H ASP 2 -16.282 -6.303 4.795 467 HA ASP 2 HA ASP 2 -15.811 -6.652 1.997 468 1HB ASP 2 2HB ASP 2 -14.478 -5.235 3.705 469 2HB ASP 2 1HB ASP 2 -13.674 -6.744 4.124 470 H ASN 3 H ASN 3 -14.472 -8.263 1.015 471 HA ASN 3 HA ASN 3 -15.168 -10.908 1.569 472 1HB ASN 3 2HB ASN 3 -12.733 -9.932 0.055 473 2HB ASN 3 1HB ASN 3 -13.489 -11.517 -0.092 474 1HD2 ASN 3 1HD2 ASN 3 -13.213 -8.864 -1.879 475 2HD2 ASN 3 2HD2 ASN 3 -14.765 -8.754 -2.559 476 H LYS 4 H LYS 4 -13.705 -12.703 2.119 477 HA LYS 4 HA LYS 4 -12.428 -12.367 4.611 478 1HB LYS 4 2HB LYS 4 -11.753 -14.691 4.372 479 2HB LYS 4 1HB LYS 4 -13.398 -14.504 3.773 480 1HG LYS 4 2HG LYS 4 -12.472 -14.283 1.450 481 2HG LYS 4 1HG LYS 4 -10.869 -14.633 2.097 482 1HD LYS 4 2HD LYS 4 -11.699 -16.714 1.305 483 2HD LYS 4 1HD LYS 4 -11.885 -16.773 3.058 484 1HE LYS 4 2HE LYS 4 -14.214 -16.364 2.941 485 2HE LYS 4 1HE LYS 4 -14.115 -15.794 1.275 486 1HZ LYS 4 1HZ LYS 4 -15.007 -18.063 1.463 487 2HZ LYS 4 2HZ LYS 4 -13.540 -18.576 2.149 488 3HZ LYS 4 3HZ LYS 4 -13.579 -18.006 0.548 489 H PHE 5 H PHE 5 -11.381 -11.816 1.454 490 HA PHE 5 HA PHE 5 -8.629 -12.314 1.609 491 1HB PHE 5 2HB PHE 5 -10.372 -10.627 -0.160 492 2HB PHE 5 1HB PHE 5 -8.615 -10.578 -0.329 493 HD1 PHE 5 1HD PHE 5 -11.298 -13.138 0.213 494 HD2 PHE 5 2HD PHE 5 -7.691 -12.067 -1.859 495 HE1 PHE 5 1HE PHE 5 -11.355 -15.297 -1.011 496 HE2 PHE 5 2HE PHE 5 -7.747 -14.222 -3.078 497 HZ PHE 5 HZ PHE 5 -9.571 -15.839 -2.648 498 H ASN 6 H ASN 6 -9.951 -10.423 3.780 499 HA ASN 6 HA ASN 6 -8.662 -7.902 3.541 500 1HB ASN 6 2HB ASN 6 -9.444 -9.483 6.007 501 2HB ASN 6 1HB ASN 6 -8.886 -7.810 6.037 502 1HD2 ASN 6 1HD2 ASN 6 -10.512 -8.096 3.162 503 2HD2 ASN 6 2HD2 ASN 6 -12.061 -7.608 3.666 504 H LYS 7 H LYS 7 -7.644 -10.918 5.104 505 HA LYS 7 HA LYS 7 -5.061 -10.030 5.883 506 1HB LYS 7 2HB LYS 7 -6.111 -12.056 6.816 507 2HB LYS 7 1HB LYS 7 -6.066 -12.817 5.227 508 1HG LYS 7 2HG LYS 7 -3.619 -12.732 5.213 509 2HG LYS 7 1HG LYS 7 -3.617 -11.873 6.753 510 1HD LYS 7 2HD LYS 7 -3.264 -14.045 7.497 511 2HD LYS 7 1HD LYS 7 -5.024 -13.982 7.558 512 1HE LYS 7 2HE LYS 7 -3.485 -14.991 5.146 513 2HE LYS 7 1HE LYS 7 -4.063 -16.046 6.433 514 1HZ LYS 7 1HZ LYS 7 -5.870 -16.145 5.122 515 2HZ LYS 7 2HZ LYS 7 -5.549 -14.664 4.354 516 3HZ LYS 7 3HZ LYS 7 -6.278 -14.690 5.890 517 H GLU 8 H GLU 8 -6.345 -11.664 3.045 518 HA GLU 8 HA GLU 8 -3.910 -12.062 1.666 519 1HB GLU 8 2HB GLU 8 -6.756 -11.836 0.633 520 2HB GLU 8 1HB GLU 8 -5.388 -12.450 -0.298 521 1HG GLU 8 2HG GLU 8 -6.524 -13.641 2.255 522 2HG GLU 8 1HG GLU 8 -6.632 -14.333 0.636 523 H ARG 9 H ARG 9 -6.233 -9.396 1.693 524 HA ARG 9 HA ARG 9 -5.200 -8.023 -0.545 525 1HB ARG 9 2HB ARG 9 -7.447 -7.610 0.363 526 2HB ARG 9 1HB ARG 9 -6.736 -6.952 1.838 527 1HG ARG 9 2HG ARG 9 -5.765 -5.111 0.657 528 2HG ARG 9 1HG ARG 9 -6.105 -5.844 -0.904 529 1HD ARG 9 2HD ARG 9 -7.715 -4.045 -0.393 530 2HD ARG 9 1HD ARG 9 -8.521 -5.608 -0.500 531 HE ARG 9 HE ARG 9 -7.706 -4.569 2.141 532 1HH1 ARG 9 1HH2 ARG 9 -9.335 -7.011 2.028 533 2HH1 ARG 9 2HH2 ARG 9 -10.951 -6.430 2.241 534 1HH2 ARG 9 1HH1 ARG 9 -10.149 -3.154 1.473 535 2HH2 ARG 9 2HH1 ARG 9 -11.414 -4.246 1.928 536 H VAL 10 H VAL 10 -4.494 -7.933 2.921 537 HA VAL 10 HA VAL 10 -2.876 -5.648 3.032 538 HB VAL 10 HB VAL 10 -2.463 -8.156 4.643 539 1HG1 VAL 10 1HG1 VAL 10 -1.579 -5.327 4.887 540 2HG1 VAL 10 2HG1 VAL 10 -0.703 -6.820 5.203 541 3HG1 VAL 10 3HG1 VAL 10 -1.904 -6.243 6.363 542 1HG2 VAL 10 1HG2 VAL 10 -4.508 -7.869 5.528 543 2HG2 VAL 10 2HG2 VAL 10 -4.783 -6.442 4.537 544 3HG2 VAL 10 3HG2 VAL 10 -4.002 -6.288 6.121 545 H ILE 11 H ILE 11 -2.120 -8.962 2.111 546 HA ILE 11 HA ILE 11 0.699 -8.574 1.952 547 HB ILE 11 HB ILE 11 -0.975 -10.661 0.541 548 1HG1 ILE 11 2HG1 ILE 11 -0.263 -10.218 3.402 549 2HG1 ILE 11 1HG1 ILE 11 -1.610 -11.106 2.705 550 1HG2 ILE 11 1HG2 ILE 11 1.085 -11.956 0.536 551 2HG2 ILE 11 2HG2 ILE 11 1.907 -10.738 1.512 552 3HG2 ILE 11 3HG2 ILE 11 1.447 -10.374 -0.151 553 1HD1 ILE 11 1HD1 ILE 11 -0.323 -12.792 3.717 554 2HD1 ILE 11 2HD1 ILE 11 1.201 -12.056 3.219 555 3HD1 ILE 11 3HD1 ILE 11 0.183 -12.873 2.030 556 H ALA 12 H ALA 12 -1.932 -8.443 -0.469 557 HA ALA 12 HA ALA 12 -0.267 -7.926 -2.722 558 1HB ALA 12 1HB ALA 12 -3.176 -7.351 -2.137 559 2HB ALA 12 2HB ALA 12 -2.523 -8.683 -3.088 560 3HB ALA 12 3HB ALA 12 -2.410 -7.028 -3.695 561 H ILE 13 H ILE 13 -1.955 -5.871 -0.387 562 HA ILE 13 HA ILE 13 -1.390 -3.391 -1.586 563 HB ILE 13 HB ILE 13 -1.561 -4.100 1.370 564 1HG1 ILE 13 2HG1 ILE 13 -3.697 -2.707 -0.222 565 2HG1 ILE 13 1HG1 ILE 13 -3.622 -4.459 -0.211 566 1HG2 ILE 13 1HG2 ILE 13 -1.641 -1.446 -0.079 567 2HG2 ILE 13 2HG2 ILE 13 -0.481 -1.958 1.142 568 3HG2 ILE 13 3HG2 ILE 13 -2.165 -1.665 1.592 569 1HD1 ILE 13 1HD1 ILE 13 -4.071 -4.579 2.060 570 2HD1 ILE 13 2HD1 ILE 13 -5.052 -3.212 1.572 571 3HD1 ILE 13 3HD1 ILE 13 -3.493 -2.945 2.348 572 H GLY 14 H GLY 14 0.411 -5.487 0.583 573 1HA GLY 14 2HA GLY 14 2.722 -3.816 0.847 574 2HA GLY 14 1HA GLY 14 2.622 -5.531 1.242 575 H GLU 15 H GLU 15 1.813 -6.451 -1.316 576 HA GLU 15 HA GLU 15 4.332 -6.836 -2.489 577 1HB GLU 15 2HB GLU 15 2.122 -8.238 -2.564 578 2HB GLU 15 1HB GLU 15 1.801 -7.290 -3.998 579 1HG GLU 15 2HG GLU 15 3.869 -8.020 -5.038 580 2HG GLU 15 1HG GLU 15 4.376 -8.823 -3.556 581 H ILE 16 H ILE 16 1.604 -4.683 -3.277 582 HA ILE 16 HA ILE 16 2.637 -3.729 -5.752 583 HB ILE 16 HB ILE 16 1.367 -1.832 -3.739 584 1HG1 ILE 16 2HG1 ILE 16 -0.129 -3.783 -3.877 585 2HG1 ILE 16 1HG1 ILE 16 -0.847 -2.380 -4.627 586 1HG2 ILE 16 1HG2 ILE 16 2.264 -0.836 -5.774 587 2HG2 ILE 16 2HG2 ILE 16 0.508 -0.749 -5.795 588 3HG2 ILE 16 3HG2 ILE 16 1.340 -1.954 -6.774 589 1HD1 ILE 16 1HD1 ILE 16 -0.298 -3.168 -6.813 590 2HD1 ILE 16 2HD1 ILE 16 -1.099 -4.484 -5.948 591 3HD1 ILE 16 3HD1 ILE 16 0.654 -4.502 -6.152 592 H MET 17 H MET 17 3.065 -2.642 -2.465 593 HA MET 17 HA MET 17 4.867 -0.516 -2.827 594 1HB MET 17 2HB MET 17 4.596 -2.296 -0.426 595 2HB MET 17 1HB MET 17 5.156 -0.620 -0.475 596 1HG MET 17 2HG MET 17 2.414 -1.436 -1.420 597 2HG MET 17 1HG MET 17 2.721 -0.951 0.236 598 1HE MET 17 1HE MET 17 3.300 2.290 0.556 599 2HE MET 17 2HE MET 17 4.807 1.914 -0.277 600 3HE MET 17 3HE MET 17 4.066 0.704 0.796 601 H ARG 18 H ARG 18 5.386 -4.004 -2.513 602 HA ARG 18 HA ARG 18 8.179 -3.930 -2.081 603 1HB ARG 18 2HB ARG 18 6.393 -6.021 -3.238 604 2HB ARG 18 1HB ARG 18 8.109 -6.274 -3.035 605 1HG ARG 18 2HG ARG 18 6.283 -5.453 -0.774 606 2HG ARG 18 1HG ARG 18 6.647 -7.133 -1.141 607 1HD ARG 18 2HD ARG 18 8.647 -4.982 -0.386 608 2HD ARG 18 1HD ARG 18 8.111 -6.312 0.631 609 HE ARG 18 HE ARG 18 9.143 -7.807 -1.134 610 1HH1 ARG 18 1HH1 ARG 18 9.964 -5.436 -2.889 611 2HH1 ARG 18 2HH1 ARG 18 11.645 -5.295 -2.500 612 1HH2 ARG 18 1HH2 ARG 18 11.415 -7.236 0.361 613 2HH2 ARG 18 2HH2 ARG 18 12.467 -6.314 -0.660 614 H LEU 19 H LEU 19 6.199 -3.907 -5.000 615 HA LEU 19 HA LEU 19 8.220 -4.344 -6.912 616 1HB LEU 19 2HB LEU 19 5.781 -2.598 -7.196 617 2HB LEU 19 1HB LEU 19 6.740 -3.234 -8.497 618 HG LEU 19 HG LEU 19 5.268 -4.967 -6.504 619 1HD1 LEU 19 1HD1 LEU 19 3.621 -3.718 -7.722 620 2HD1 LEU 19 2HD1 LEU 19 3.706 -5.309 -8.465 621 3HD1 LEU 19 3HD1 LEU 19 4.500 -3.932 -9.240 622 1HD2 LEU 19 1HD2 LEU 19 6.944 -6.260 -7.540 623 2HD2 LEU 19 2HD2 LEU 19 6.734 -5.437 -9.081 624 3HD2 LEU 19 3HD2 LEU 19 5.503 -6.570 -8.516 625 HA PRO 20 HA PRO 20 10.279 -0.433 -6.078 626 1HB PRO 20 2HB PRO 20 12.541 -1.415 -7.567 627 2HB PRO 20 1HB PRO 20 12.375 -1.221 -5.820 628 1HG PRO 20 2HG PRO 20 12.601 -3.617 -7.109 629 2HG PRO 20 1HG PRO 20 11.865 -3.394 -5.513 630 1HD PRO 20 2HD PRO 20 10.535 -3.697 -8.178 631 2HD PRO 20 1HD PRO 20 10.063 -4.348 -6.593 632 H ASN 21 H ASN 21 8.948 -1.479 -8.955 633 HA ASN 21 HA ASN 21 10.237 0.687 -10.521 634 1HB ASN 21 2HB ASN 21 8.669 -1.666 -11.547 635 2HB ASN 21 1HB ASN 21 9.529 -0.478 -12.510 636 1HD2 ASN 21 1HD2 ASN 21 9.936 -3.504 -12.088 637 2HD2 ASN 21 2HD2 ASN 21 11.585 -3.636 -11.702 638 H LEU 22 H LEU 22 7.263 -0.163 -8.976 639 HA LEU 22 HA LEU 22 5.516 1.245 -10.763 640 1HB LEU 22 2HB LEU 22 5.100 0.472 -7.880 641 2HB LEU 22 1HB LEU 22 3.856 1.119 -8.928 642 HG LEU 22 HG LEU 22 5.338 -1.503 -9.215 643 1HD1 LEU 22 1HD1 LEU 22 2.903 -2.313 -9.232 644 2HD1 LEU 22 2HD1 LEU 22 2.469 -0.693 -8.692 645 3HD1 LEU 22 3HD1 LEU 22 3.505 -1.702 -7.689 646 1HD2 LEU 22 1HD2 LEU 22 5.160 -0.829 -11.426 647 2HD2 LEU 22 2HD2 LEU 22 3.699 0.115 -11.116 648 3HD2 LEU 22 3HD2 LEU 22 3.612 -1.636 -11.187 649 H ASN 23 H ASN 23 4.346 3.110 -10.360 650 HA ASN 23 HA ASN 23 5.910 5.316 -9.252 651 1HB ASN 23 2HB ASN 23 5.063 6.082 -11.236 652 2HB ASN 23 1HB ASN 23 3.817 4.873 -11.284 653 1HD2 ASN 23 1HD2 ASN 23 2.147 6.292 -11.942 654 2HD2 ASN 23 2HD2 ASN 23 1.554 7.526 -10.945 655 H SER 24 H SER 24 4.963 6.836 -7.728 656 HA SER 24 HA SER 24 3.777 5.671 -5.470 657 1HB SER 24 2HB SER 24 3.273 8.562 -6.079 658 2HB SER 24 1HB SER 24 3.761 7.809 -4.565 659 HG SER 24 HG SER 24 5.813 7.705 -5.271 660 H LEU 25 H LEU 25 2.369 7.524 -8.105 661 HA LEU 25 HA LEU 25 -0.331 7.359 -7.248 662 1HB LEU 25 2HB LEU 25 1.122 8.607 -9.381 663 2HB LEU 25 1HB LEU 25 -0.236 7.743 -10.041 664 HG LEU 25 HG LEU 25 -0.342 9.768 -7.848 665 1HD1 LEU 25 1HD1 LEU 25 0.032 10.745 -10.082 666 2HD1 LEU 25 2HD1 LEU 25 -1.586 11.121 -9.491 667 3HD1 LEU 25 3HD1 LEU 25 -1.362 9.853 -10.696 668 1HD2 LEU 25 1HD2 LEU 25 -2.171 8.547 -7.279 669 2HD2 LEU 25 2HD2 LEU 25 -2.210 7.731 -8.841 670 3HD2 LEU 25 3HD2 LEU 25 -2.910 9.342 -8.669 671 H GLN 26 H GLN 26 1.739 5.439 -9.407 672 HA GLN 26 HA GLN 26 -0.333 3.836 -10.504 673 1HB GLN 26 2HB GLN 26 2.610 3.578 -10.219 674 2HB GLN 26 1HB GLN 26 1.701 2.119 -10.571 675 1HG GLN 26 2HG GLN 26 0.743 3.152 -12.570 676 2HG GLN 26 1HG GLN 26 1.570 4.666 -12.210 677 1HE2 GLN 26 1HE2 GLN 26 3.612 2.204 -11.220 678 2HE2 GLN 26 2HE2 GLN 26 4.546 2.076 -12.628 679 H VAL 27 H VAL 27 1.734 3.532 -7.701 680 HA VAL 27 HA VAL 27 0.888 0.991 -6.878 681 HB VAL 27 HB VAL 27 2.203 3.281 -5.435 682 1HG1 VAL 27 1HG1 VAL 27 2.695 1.217 -3.790 683 2HG1 VAL 27 2HG1 VAL 27 1.103 0.716 -4.352 684 3HG1 VAL 27 3HG1 VAL 27 1.305 2.272 -3.557 685 1HG2 VAL 27 1HG2 VAL 27 2.993 0.716 -6.777 686 2HG2 VAL 27 2HG2 VAL 27 3.989 1.318 -5.451 687 3HG2 VAL 27 3HG2 VAL 27 3.745 2.305 -6.890 688 H VAL 28 H VAL 28 -0.195 4.232 -6.076 689 HA VAL 28 HA VAL 28 -2.218 3.488 -4.265 690 HB VAL 28 HB VAL 28 -2.084 5.874 -6.135 691 1HG1 VAL 28 1HG1 VAL 28 -3.483 6.235 -3.615 692 2HG1 VAL 28 2HG1 VAL 28 -4.188 4.919 -4.550 693 3HG1 VAL 28 3HG1 VAL 28 -4.054 6.526 -5.260 694 1HG2 VAL 28 1HG2 VAL 28 -1.551 6.354 -3.299 695 2HG2 VAL 28 2HG2 VAL 28 -0.592 6.808 -4.711 696 3HG2 VAL 28 3HG2 VAL 28 -0.393 5.214 -3.986 697 H ALA 29 H ALA 29 -1.991 3.634 -7.769 698 HA ALA 29 HA ALA 29 -4.696 3.432 -8.469 699 1HB ALA 29 1HB ALA 29 -2.779 1.922 -10.151 700 2HB ALA 29 2HB ALA 29 -2.335 3.602 -9.851 701 3HB ALA 29 3HB ALA 29 -3.890 3.221 -10.593 702 H PHE 30 H PHE 30 -2.235 0.951 -7.780 703 HA PHE 30 HA PHE 30 -3.998 -1.220 -8.184 704 1HB PHE 30 2HB PHE 30 -1.281 -0.993 -6.849 705 2HB PHE 30 1HB PHE 30 -2.094 -2.501 -7.254 706 HD1 PHE 30 1HD PHE 30 0.361 -0.353 -8.354 707 HD2 PHE 30 2HD PHE 30 -3.112 -2.404 -9.882 708 HE1 PHE 30 1HE PHE 30 1.221 -0.123 -10.631 709 HE2 PHE 30 2HE PHE 30 -2.222 -2.152 -12.165 710 HZ PHE 30 HZ PHE 30 -0.065 -1.021 -12.550 711 H ILE 31 H ILE 31 -2.708 0.483 -5.301 712 HA ILE 31 HA ILE 31 -3.908 -1.165 -3.356 713 HB ILE 31 HB ILE 31 -3.326 1.809 -3.236 714 1HG1 ILE 31 2HG1 ILE 31 -1.702 -0.468 -2.066 715 2HG1 ILE 31 1HG1 ILE 31 -1.381 0.180 -3.670 716 1HG2 ILE 31 1HG2 ILE 31 -4.902 1.162 -1.471 717 2HG2 ILE 31 2HG2 ILE 31 -3.309 1.450 -0.769 718 3HG2 ILE 31 3HG2 ILE 31 -3.874 -0.201 -1.028 719 1HD1 ILE 31 1HD1 ILE 31 -0.993 2.396 -2.762 720 2HD1 ILE 31 2HD1 ILE 31 0.022 1.253 -1.872 721 3HD1 ILE 31 3HD1 ILE 31 -1.471 1.863 -1.147 722 H ASN 32 H ASN 32 -5.088 1.754 -4.955 723 HA ASN 32 HA ASN 32 -7.607 1.893 -3.700 724 1HB ASN 32 2HB ASN 32 -6.430 3.633 -5.200 725 2HB ASN 32 1HB ASN 32 -7.080 2.726 -6.557 726 1HD2 ASN 32 1HD2 ASN 32 -7.914 5.325 -6.283 727 2HD2 ASN 32 2HD2 ASN 32 -9.521 5.390 -5.739 728 H SER 33 H SER 33 -6.373 -0.108 -6.338 729 HA SER 33 HA SER 33 -8.979 -0.964 -7.171 730 1HB SER 33 2HB SER 33 -6.183 -1.604 -7.993 731 2HB SER 33 1HB SER 33 -7.511 -2.663 -8.481 732 HG SER 33 HG SER 33 -8.541 -0.661 -9.220 733 H LEU 34 H LEU 34 -6.516 -1.937 -4.886 734 HA LEU 34 HA LEU 34 -7.451 -4.602 -4.371 735 1HB LEU 34 2HB LEU 34 -6.198 -2.637 -2.396 736 2HB LEU 34 1HB LEU 34 -6.306 -4.374 -2.199 737 HG LEU 34 HG LEU 34 -4.759 -2.997 -4.395 738 1HD1 LEU 34 1HD1 LEU 34 -3.614 -4.558 -2.109 739 2HD1 LEU 34 2HD1 LEU 34 -3.799 -2.801 -2.065 740 3HD1 LEU 34 3HD1 LEU 34 -2.764 -3.544 -3.273 741 1HD2 LEU 34 1HD2 LEU 34 -3.831 -5.283 -4.710 742 2HD2 LEU 34 2HD2 LEU 34 -5.536 -5.121 -5.084 743 3HD2 LEU 34 3HD2 LEU 34 -5.044 -5.850 -3.573 744 H ARG 35 H ARG 35 -8.048 -1.402 -3.188 745 HA ARG 35 HA ARG 35 -10.145 -1.786 -1.328 746 1HB ARG 35 2HB ARG 35 -8.778 0.361 -2.552 747 2HB ARG 35 1HB ARG 35 -10.462 0.602 -2.980 748 1HG ARG 35 2HG ARG 35 -11.019 1.225 -0.882 749 2HG ARG 35 1HG ARG 35 -10.110 -0.088 -0.146 750 1HD ARG 35 2HD ARG 35 -8.042 1.410 -0.974 751 2HD ARG 35 1HD ARG 35 -9.243 2.688 -0.818 752 HE ARG 35 HE ARG 35 -8.027 1.166 1.333 753 1HH1 ARG 35 1HH2 ARG 35 -10.915 0.994 1.941 754 2HH1 ARG 35 2HH2 ARG 35 -11.225 2.459 2.810 755 1HH2 ARG 35 1HH1 ARG 35 -8.317 4.010 1.749 756 2HH2 ARG 35 2HH1 ARG 35 -9.754 4.168 2.700 757 H ASP 36 H ASP 36 -10.225 -1.116 -4.812 758 HA ASP 36 HA ASP 36 -13.019 -1.091 -5.153 759 1HB ASP 36 2HB ASP 36 -11.347 -0.222 -6.792 760 2HB ASP 36 1HB ASP 36 -10.907 -1.883 -7.177 761 H ASP 37 H ASP 37 -10.657 -3.703 -5.285 762 HA ASP 37 HA ASP 37 -12.799 -5.678 -5.028 763 1HB ASP 37 2HB ASP 37 -11.196 -5.259 -7.464 764 2HB ASP 37 1HB ASP 37 -11.236 -6.917 -6.895 765 HA PRO 38 HA PRO 38 -9.359 -6.813 -2.352 766 1HB PRO 38 2HB PRO 38 -11.262 -8.289 -0.801 767 2HB PRO 38 1HB PRO 38 -10.393 -6.819 -0.366 768 1HG PRO 38 2HG PRO 38 -13.115 -7.035 -0.850 769 2HG PRO 38 1HG PRO 38 -12.179 -5.538 -0.773 770 1HD PRO 38 2HD PRO 38 -13.248 -6.946 -3.135 771 2HD PRO 38 1HD PRO 38 -12.773 -5.243 -2.946 772 H SER 39 H SER 39 -11.887 -8.729 -3.821 773 HA SER 39 HA SER 39 -10.748 -11.308 -3.376 774 1HB SER 39 2HB SER 39 -12.645 -10.372 -5.550 775 2HB SER 39 1HB SER 39 -12.295 -12.051 -5.145 776 HG SER 39 HG SER 39 -13.937 -10.247 -3.920 777 H GLN 40 H GLN 40 -10.580 -8.881 -5.923 778 HA GLN 40 HA GLN 40 -8.594 -10.452 -7.351 779 1HB GLN 40 2HB GLN 40 -9.335 -7.873 -8.523 780 2HB GLN 40 1HB GLN 40 -9.208 -9.451 -9.254 781 1HG GLN 40 2HG GLN 40 -11.522 -8.790 -7.444 782 2HG GLN 40 1HG GLN 40 -11.562 -8.431 -9.162 783 1HE2 GLN 40 1HE2 GLN 40 -12.846 -10.031 -10.092 784 2HE2 GLN 40 2HE2 GLN 40 -12.686 -11.693 -9.794 785 H SER 41 H SER 41 -8.135 -8.999 -4.727 786 HA SER 41 HA SER 41 -6.568 -6.723 -5.147 787 1HB SER 41 2HB SER 41 -6.556 -8.936 -3.106 788 2HB SER 41 1HB SER 41 -5.278 -7.732 -3.080 789 HG SER 41 HG SER 41 -7.077 -6.164 -3.140 790 H ALA 42 H ALA 42 -5.958 -10.090 -5.616 791 HA ALA 42 HA ALA 42 -3.133 -9.962 -6.038 792 1HB ALA 42 1HB ALA 42 -5.057 -12.048 -7.057 793 2HB ALA 42 2HB ALA 42 -4.546 -11.975 -5.367 794 3HB ALA 42 3HB ALA 42 -3.352 -12.252 -6.639 795 H ASN 43 H ASN 43 -5.972 -9.472 -7.987 796 HA ASN 43 HA ASN 43 -4.905 -9.941 -10.550 797 1HB ASN 43 2HB ASN 43 -7.294 -9.867 -9.788 798 2HB ASN 43 1HB ASN 43 -7.153 -8.111 -9.901 799 1HD2 ASN 43 1HD2 ASN 43 -6.216 -7.352 -12.146 800 2HD2 ASN 43 2HD2 ASN 43 -6.783 -8.182 -13.512 801 H LEU 44 H LEU 44 -5.673 -6.879 -8.902 802 HA LEU 44 HA LEU 44 -4.414 -5.401 -10.939 803 1HB LEU 44 2HB LEU 44 -4.928 -3.394 -9.697 804 2HB LEU 44 1HB LEU 44 -6.321 -4.450 -9.720 805 HG LEU 44 HG LEU 44 -5.901 -3.342 -7.554 806 1HD1 LEU 44 1HD1 LEU 44 -5.657 -6.179 -6.965 807 2HD1 LEU 44 2HD1 LEU 44 -6.941 -5.713 -8.073 808 3HD1 LEU 44 3HD1 LEU 44 -6.862 -4.986 -6.471 809 1HD2 LEU 44 1HD2 LEU 44 -3.330 -3.853 -7.888 810 2HD2 LEU 44 2HD2 LEU 44 -3.784 -5.230 -6.875 811 3HD2 LEU 44 3HD2 LEU 44 -4.067 -3.588 -6.322 812 H LEU 45 H LEU 45 -3.503 -6.920 -8.037 813 HA LEU 45 HA LEU 45 -0.981 -5.646 -7.623 814 1HB LEU 45 2HB LEU 45 -1.720 -6.922 -5.782 815 2HB LEU 45 1HB LEU 45 -2.263 -8.242 -6.805 816 HG LEU 45 HG LEU 45 0.050 -8.869 -7.289 817 1HD1 LEU 45 1HD1 LEU 45 1.899 -7.729 -6.074 818 2HD1 LEU 45 2HD1 LEU 45 0.746 -6.534 -5.486 819 3HD1 LEU 45 3HD1 LEU 45 1.089 -6.662 -7.205 820 1HD2 LEU 45 1HD2 LEU 45 0.439 -8.767 -4.432 821 2HD2 LEU 45 2HD2 LEU 45 -0.025 -10.135 -5.433 822 3HD2 LEU 45 3HD2 LEU 45 -1.260 -9.065 -4.776 823 H ALA 46 H ALA 46 -2.336 -8.225 -9.466 824 HA ALA 46 HA ALA 46 0.038 -9.293 -10.598 825 1HB ALA 46 1HB ALA 46 -1.498 -10.764 -11.385 826 2HB ALA 46 2HB ALA 46 -2.120 -9.515 -12.463 827 3HB ALA 46 3HB ALA 46 -2.808 -9.707 -10.852 828 H GLU 47 H GLU 47 -2.246 -6.783 -11.453 829 HA GLU 47 HA GLU 47 -1.142 -5.978 -13.916 830 1HB GLU 47 2HB GLU 47 -2.751 -4.404 -11.883 831 2HB GLU 47 1HB GLU 47 -2.364 -3.851 -13.508 832 1HG GLU 47 2HG GLU 47 -4.092 -6.182 -12.702 833 2HG GLU 47 1HG GLU 47 -4.588 -4.721 -13.527 834 H ALA 48 H ALA 48 -0.437 -5.286 -10.570 835 HA ALA 48 HA ALA 48 1.122 -2.957 -10.989 836 1HB ALA 48 1HB ALA 48 -0.064 -4.257 -8.872 837 2HB ALA 48 2HB ALA 48 1.049 -2.896 -8.743 838 3HB ALA 48 3HB ALA 48 1.651 -4.543 -8.601 839 H LYS 49 H LYS 49 1.891 -6.333 -10.290 840 HA LYS 49 HA LYS 49 4.700 -5.924 -10.356 841 1HB LYS 49 2HB LYS 49 4.832 -8.371 -10.422 842 2HB LYS 49 1HB LYS 49 3.656 -7.808 -9.229 843 1HG LYS 49 2HG LYS 49 1.850 -8.195 -10.774 844 2HG LYS 49 1HG LYS 49 2.976 -8.747 -12.007 845 1HD LYS 49 2HD LYS 49 2.015 -10.698 -10.908 846 2HD LYS 49 1HD LYS 49 3.711 -10.565 -10.445 847 1HE LYS 49 2HE LYS 49 3.203 -9.838 -8.281 848 2HE LYS 49 1HE LYS 49 1.604 -9.259 -8.740 849 1HZ LYS 49 1HZ LYS 49 2.276 -12.126 -8.897 850 2HZ LYS 49 2HZ LYS 49 0.749 -11.393 -8.774 851 3HZ LYS 49 3HZ LYS 49 1.787 -11.431 -7.429 852 H LYS 50 H LYS 50 2.238 -6.494 -12.749 853 HA LYS 50 HA LYS 50 4.009 -7.007 -14.947 854 1HB LYS 50 2HB LYS 50 1.134 -6.186 -14.727 855 2HB LYS 50 1HB LYS 50 1.962 -6.235 -16.282 856 1HG LYS 50 2HG LYS 50 2.632 -8.633 -15.721 857 2HG LYS 50 1HG LYS 50 1.503 -8.549 -14.376 858 1HD LYS 50 2HD LYS 50 0.753 -8.024 -17.267 859 2HD LYS 50 1HD LYS 50 0.515 -9.564 -16.444 860 1HE LYS 50 2HE LYS 50 -0.861 -8.315 -14.715 861 2HE LYS 50 1HE LYS 50 -0.772 -6.906 -15.773 862 1HZ LYS 50 1HZ LYS 50 -2.783 -8.164 -16.171 863 2HZ LYS 50 2HZ LYS 50 -1.876 -9.562 -16.507 864 3HZ LYS 50 3HZ LYS 50 -1.778 -8.213 -17.536 865 H LEU 51 H LEU 51 2.478 -4.173 -13.492 866 HA LEU 51 HA LEU 51 3.400 -2.334 -15.483 867 1HB LEU 51 2HB LEU 51 1.916 -2.193 -12.984 868 2HB LEU 51 1HB LEU 51 3.115 -0.907 -13.088 869 HG LEU 51 HG LEU 51 0.941 -0.271 -14.099 870 1HD1 LEU 51 1HD1 LEU 51 2.547 1.065 -15.020 871 2HD1 LEU 51 2HD1 LEU 51 2.171 0.149 -16.482 872 3HD1 LEU 51 3HD1 LEU 51 3.569 -0.298 -15.497 873 1HD2 LEU 51 1HD2 LEU 51 1.251 -2.877 -15.310 874 2HD2 LEU 51 2HD2 LEU 51 1.148 -1.658 -16.584 875 3HD2 LEU 51 3HD2 LEU 51 -0.137 -1.788 -15.383 876 H ASN 52 H ASN 52 4.520 -3.492 -12.434 877 HA ASN 52 HA ASN 52 6.788 -1.876 -12.073 878 1HB ASN 52 2HB ASN 52 6.101 -3.224 -10.264 879 2HB ASN 52 1HB ASN 52 5.985 -4.660 -11.258 880 1HD2 ASN 52 1HD2 ASN 52 8.188 -2.585 -9.548 881 2HD2 ASN 52 2HD2 ASN 52 9.542 -3.593 -9.670 882 H ASP 53 H ASP 53 6.112 -4.915 -13.585 883 HA ASP 53 HA ASP 53 8.717 -5.460 -14.607 884 1HB ASP 53 2HB ASP 53 6.875 -7.152 -14.482 885 2HB ASP 53 1HB ASP 53 6.085 -6.320 -15.822 886 H ALA 54 H ALA 54 5.965 -3.670 -15.820 887 HA ALA 54 HA ALA 54 6.827 -3.208 -18.457 888 1HB ALA 54 1HB ALA 54 5.033 -1.747 -18.598 889 2HB ALA 54 2HB ALA 54 5.223 -1.191 -16.935 890 3HB ALA 54 3HB ALA 54 4.536 -2.783 -17.259 891 H GLN 55 H GLN 55 7.381 -1.506 -15.410 892 HA GLN 55 HA GLN 55 8.994 0.546 -16.714 893 1HB GLN 55 2HB GLN 55 8.180 0.059 -13.890 894 2HB GLN 55 1HB GLN 55 9.170 1.417 -14.390 895 1HG GLN 55 2HG GLN 55 7.420 2.432 -15.531 896 2HG GLN 55 1HG GLN 55 6.589 0.901 -15.816 897 1HE2 GLN 55 1HE2 GLN 55 5.976 -0.222 -13.571 898 2HE2 GLN 55 2HE2 GLN 55 5.226 0.812 -12.457 899 H ALA 56 H ALA 56 9.446 -2.546 -15.447 900 HA ALA 56 HA ALA 56 12.092 -2.180 -14.337 901 1HB ALA 56 1HB ALA 56 10.319 -4.131 -13.948 902 2HB ALA 56 2HB ALA 56 12.047 -4.433 -13.841 903 3HB ALA 56 3HB ALA 56 11.169 -4.851 -15.309 904 HA PRO 57 HA PRO 57 14.408 -2.721 -18.013 905 1HB PRO 57 2HB PRO 57 16.494 -4.273 -16.768 906 2HB PRO 57 1HB PRO 57 16.454 -2.529 -17.053 907 1HG PRO 57 2HG PRO 57 16.403 -3.689 -14.580 908 2HG PRO 57 1HG PRO 57 15.779 -2.071 -14.948 909 1HD PRO 57 2HD PRO 57 14.274 -4.660 -14.704 910 2HD PRO 57 1HD PRO 57 13.847 -3.047 -14.080 911 H LYS 58 H LYS 58 15.472 -4.338 -19.442 912 HA LYS 58 HA LYS 58 14.590 -7.103 -19.103 913 1HB LYS 58 2HB LYS 58 13.578 -5.177 -21.071 914 2HB LYS 58 1HB LYS 58 14.017 -6.741 -21.725 915 1HG LYS 58 2HG LYS 58 11.922 -7.367 -21.075 916 2HG LYS 58 1HG LYS 58 12.621 -7.464 -19.461 917 1HD LYS 58 2HD LYS 58 12.041 -4.962 -19.235 918 2HD LYS 58 1HD LYS 58 11.060 -5.176 -20.682 919 1HE LYS 58 2HE LYS 58 9.451 -5.656 -19.107 920 2HE LYS 58 1HE LYS 58 10.140 -7.271 -19.268 921 1HZ LYS 58 1HZ LYS 58 10.358 -5.363 -17.084 922 2HZ LYS 58 2HZ LYS 58 11.770 -6.236 -17.450 923 3HZ LYS 58 3HZ LYS 58 10.338 -7.059 -17.047 Start of MODEL 35 1 1H VAL 1 1HT VAL 1 7.521 -16.100 7.508 2 2H VAL 1 2HT VAL 1 6.106 -15.196 7.247 3 3H VAL 1 3HT VAL 1 6.171 -16.336 8.506 4 HA VAL 1 HA VAL 1 6.381 -13.979 9.234 5 HB VAL 1 HB VAL 1 7.189 -15.936 10.567 6 1HG1 VAL 1 1HG1 VAL 1 8.909 -16.659 8.851 7 2HG1 VAL 1 2HG1 VAL 1 9.499 -16.617 10.510 8 3HG1 VAL 1 3HG1 VAL 1 9.918 -15.319 9.393 9 1HG2 VAL 1 1HG2 VAL 1 8.569 -14.653 12.071 10 2HG2 VAL 1 2HG2 VAL 1 7.428 -13.528 11.335 11 3HG2 VAL 1 3HG2 VAL 1 9.098 -13.585 10.771 12 H ASP 2 H ASP 2 8.751 -15.201 6.975 13 HA ASP 2 HA ASP 2 10.633 -13.106 7.038 14 1HB ASP 2 2HB ASP 2 11.369 -13.937 4.891 15 2HB ASP 2 1HB ASP 2 10.940 -15.316 5.900 16 H ASN 3 H ASN 3 7.565 -13.473 5.360 17 HA ASN 3 HA ASN 3 7.883 -10.972 3.890 18 1HB ASN 3 2HB ASN 3 5.608 -12.970 3.984 19 2HB ASN 3 1HB ASN 3 5.678 -11.564 2.922 20 1HD2 ASN 3 1HD2 ASN 3 6.185 -14.820 2.841 21 2HD2 ASN 3 2HD2 ASN 3 7.399 -14.897 1.657 22 H LYS 4 H LYS 4 7.366 -11.375 7.002 23 HA LYS 4 HA LYS 4 4.886 -10.246 7.643 24 1HB LYS 4 2HB LYS 4 6.433 -11.237 9.310 25 2HB LYS 4 1HB LYS 4 7.512 -9.857 9.115 26 1HG LYS 4 2HG LYS 4 6.213 -9.362 11.046 27 2HG LYS 4 1HG LYS 4 5.485 -8.399 9.762 28 1HD LYS 4 2HD LYS 4 3.704 -10.010 9.467 29 2HD LYS 4 1HD LYS 4 4.496 -11.154 10.549 30 1HE LYS 4 2HE LYS 4 2.707 -10.045 11.768 31 2HE LYS 4 1HE LYS 4 4.251 -9.481 12.406 32 1HZ LYS 4 1HZ LYS 4 2.676 -8.056 10.330 33 2HZ LYS 4 2HZ LYS 4 4.080 -7.498 11.109 34 3HZ LYS 4 3HZ LYS 4 2.636 -7.681 11.984 35 H PHE 5 H PHE 5 7.981 -8.654 6.931 36 HA PHE 5 HA PHE 5 7.129 -6.025 7.337 37 1HB PHE 5 2HB PHE 5 9.140 -5.327 6.335 38 2HB PHE 5 1HB PHE 5 9.531 -6.867 7.090 39 HD1 PHE 5 1HD PHE 5 9.344 -8.992 5.579 40 HD2 PHE 5 2HD PHE 5 9.603 -4.985 4.053 41 HE1 PHE 5 1HE PHE 5 10.138 -9.869 3.400 42 HE2 PHE 5 2HE PHE 5 10.399 -5.860 1.891 43 HZ PHE 5 HZ PHE 5 10.667 -8.302 1.555 44 H ASN 6 H ASN 6 6.980 -8.152 4.496 45 HA ASN 6 HA ASN 6 6.070 -6.211 2.626 46 1HB ASN 6 2HB ASN 6 6.928 -8.539 2.113 47 2HB ASN 6 1HB ASN 6 5.385 -9.155 2.692 48 1HD2 ASN 6 1HD2 ASN 6 3.725 -9.263 1.181 49 2HD2 ASN 6 2HD2 ASN 6 3.751 -8.503 -0.343 50 H LYS 7 H LYS 7 4.458 -8.493 4.778 51 HA LYS 7 HA LYS 7 1.786 -7.980 4.090 52 1HB LYS 7 2HB LYS 7 2.504 -9.927 5.410 53 2HB LYS 7 1HB LYS 7 3.051 -8.878 6.704 54 1HG LYS 7 2HG LYS 7 0.982 -9.502 7.522 55 2HG LYS 7 1HG LYS 7 0.543 -8.036 6.666 56 1HD LYS 7 2HD LYS 7 -1.065 -9.559 5.911 57 2HD LYS 7 1HD LYS 7 0.145 -9.621 4.634 58 1HE LYS 7 2HE LYS 7 -0.688 -11.868 5.380 59 2HE LYS 7 1HE LYS 7 1.061 -11.675 5.513 60 1HZ LYS 7 1HZ LYS 7 0.959 -11.543 7.792 61 2HZ LYS 7 2HZ LYS 7 -0.304 -12.636 7.487 62 3HZ LYS 7 3HZ LYS 7 -0.649 -11.005 7.812 63 H GLU 8 H GLU 8 3.968 -6.613 6.487 64 HA GLU 8 HA GLU 8 2.055 -4.741 7.445 65 1HB GLU 8 2HB GLU 8 5.035 -5.030 7.836 66 2HB GLU 8 1HB GLU 8 4.085 -3.745 8.607 67 1HG GLU 8 2HG GLU 8 3.726 -6.739 8.953 68 2HG GLU 8 1HG GLU 8 4.292 -5.601 10.168 69 H LEU 9 H LEU 9 4.634 -4.610 5.107 70 HA LEU 9 HA LEU 9 4.741 -1.804 4.614 71 1HB LEU 9 2HB LEU 9 6.467 -3.247 3.723 72 2HB LEU 9 1HB LEU 9 5.284 -4.217 2.849 73 HG LEU 9 HG LEU 9 4.682 -2.029 1.605 74 1HD1 LEU 9 1HD1 LEU 9 5.842 -0.170 1.961 75 2HD1 LEU 9 2HD1 LEU 9 7.367 -0.994 1.796 76 3HD1 LEU 9 3HD1 LEU 9 6.580 -0.921 3.380 77 1HD2 LEU 9 1HD2 LEU 9 6.563 -2.316 0.056 78 2HD2 LEU 9 2HD2 LEU 9 5.861 -3.850 0.561 79 3HD2 LEU 9 3HD2 LEU 9 7.383 -3.310 1.259 80 H GLY 10 H GLY 10 2.708 -4.408 3.396 81 1HA GLY 10 2HA GLY 10 1.289 -2.750 1.602 82 2HA GLY 10 1HA GLY 10 0.834 -4.357 2.123 83 H TRP 11 H TRP 11 0.788 -3.973 4.885 84 HA TRP 11 HA TRP 11 -1.753 -2.825 5.071 85 1HB TRP 11 2HB TRP 11 -0.593 -4.730 6.506 86 2HB TRP 11 1HB TRP 11 -0.412 -3.350 7.601 87 HD1 TRP 11 HD TRP 11 -2.286 -4.006 9.238 88 HE1 TRP 11 1HE TRP 11 -4.859 -4.119 9.101 89 HE3 TRP 11 3HE TRP 11 -2.978 -3.595 4.180 90 HZ2 TRP 11 2HZ TRP 11 -6.916 -3.990 7.132 91 HZ3 TRP 11 3HZ TRP 11 -5.195 -3.561 3.202 92 HH2 TRP 11 HH TRP 11 -7.205 -3.775 4.672 93 H ALA 12 H ALA 12 1.261 -1.687 6.434 94 HA ALA 12 HA ALA 12 0.090 0.477 7.697 95 1HB ALA 12 1HB ALA 12 2.233 0.852 8.283 96 2HB ALA 12 2HB ALA 12 2.669 1.220 6.615 97 3HB ALA 12 3HB ALA 12 2.712 -0.445 7.196 98 H THR 13 H THR 13 1.101 -0.041 4.361 99 HA THR 13 HA THR 13 0.748 2.514 3.237 100 HB THR 13 HB THR 13 0.470 -0.288 2.225 101 HG1 THR 13 1HG THR 13 2.498 0.037 2.120 102 1HG2 THR 13 1HG2 THR 13 -0.048 2.292 0.770 103 2HG2 THR 13 2HG2 THR 13 -1.010 0.811 0.766 104 3HG2 THR 13 3HG2 THR 13 0.539 0.858 -0.072 105 H TRP 14 H TRP 14 -1.523 -0.158 3.700 106 HA TRP 14 HA TRP 14 -3.813 1.078 2.586 107 1HB TRP 14 2HB TRP 14 -3.415 -1.371 3.130 108 2HB TRP 14 1HB TRP 14 -3.764 -0.967 4.797 109 HD1 TRP 14 HD TRP 14 -6.220 -0.733 5.496 110 HE1 TRP 14 1HE TRP 14 -8.463 -1.053 4.278 111 HE3 TRP 14 3HE TRP 14 -4.605 -0.814 0.644 112 HZ2 TRP 14 2HZ TRP 14 -9.427 -1.321 1.600 113 HZ3 TRP 14 3HZ TRP 14 -6.187 -1.115 -1.173 114 HH2 TRP 14 HH TRP 14 -8.564 -1.372 -0.708 115 H GLU 15 H GLU 15 -2.684 0.749 5.932 116 HA GLU 15 HA GLU 15 -4.876 1.977 7.176 117 1HB GLU 15 2HB GLU 15 -1.978 1.741 8.025 118 2HB GLU 15 1HB GLU 15 -3.292 2.252 9.090 119 1HG GLU 15 2HG GLU 15 -4.416 0.132 8.871 120 2HG GLU 15 1HG GLU 15 -3.363 -0.374 7.554 121 H ILE 16 H ILE 16 -1.928 3.307 5.769 122 HA ILE 16 HA ILE 16 -2.377 6.043 6.587 123 HB ILE 16 HB ILE 16 -0.737 4.843 4.299 124 1HG1 ILE 16 2HG1 ILE 16 0.277 5.965 6.906 125 2HG1 ILE 16 1HG1 ILE 16 -0.087 4.270 6.718 126 1HG2 ILE 16 1HG2 ILE 16 -1.114 7.127 3.736 127 2HG2 ILE 16 2HG2 ILE 16 0.484 7.076 4.474 128 3HG2 ILE 16 3HG2 ILE 16 -0.897 7.650 5.402 129 1HD1 ILE 16 1HD1 ILE 16 1.596 5.391 4.558 130 2HD1 ILE 16 2HD1 ILE 16 1.784 3.891 5.477 131 3HD1 ILE 16 3HD1 ILE 16 2.352 5.413 6.159 132 H PHE 17 H PHE 17 -3.106 3.998 3.834 133 HA PHE 17 HA PHE 17 -4.213 5.870 2.027 134 1HB PHE 17 2HB PHE 17 -3.568 3.255 1.922 135 2HB PHE 17 1HB PHE 17 -5.290 3.092 2.182 136 HD1 PHE 17 1HD PHE 17 -2.682 4.446 -0.087 137 HD2 PHE 17 2HD PHE 17 -6.862 3.629 0.457 138 HE1 PHE 17 1HE PHE 17 -3.051 4.752 -2.510 139 HE2 PHE 17 2HE PHE 17 -7.243 3.946 -1.969 140 HZ PHE 17 HZ PHE 17 -5.333 4.504 -3.440 141 H ASN 18 H ASN 18 -5.528 3.996 4.687 142 HA ASN 18 HA ASN 18 -8.274 4.805 4.200 143 1HB ASN 18 2HB ASN 18 -6.969 3.099 6.327 144 2HB ASN 18 1HB ASN 18 -8.696 3.436 6.272 145 1HD2 ASN 18 1HD2 ASN 18 -9.461 1.354 5.708 146 2HD2 ASN 18 2HD2 ASN 18 -9.037 0.560 4.271 147 H LEU 19 H LEU 19 -5.747 6.478 5.575 148 HA LEU 19 HA LEU 19 -6.989 7.309 7.989 149 1HB LEU 19 2HB LEU 19 -4.604 8.135 6.476 150 2HB LEU 19 1HB LEU 19 -5.317 9.384 7.488 151 HG LEU 19 HG LEU 19 -4.510 6.607 8.430 152 1HD1 LEU 19 1HD1 LEU 19 -3.095 9.082 8.100 153 2HD1 LEU 19 2HD1 LEU 19 -2.482 7.515 8.624 154 3HD1 LEU 19 3HD1 LEU 19 -3.158 8.639 9.790 155 1HD2 LEU 19 1HD2 LEU 19 -4.834 8.575 10.514 156 2HD2 LEU 19 2HD2 LEU 19 -5.660 7.024 10.317 157 3HD2 LEU 19 3HD2 LEU 19 -6.320 8.473 9.576 158 HA PRO 20 HA PRO 20 -9.910 10.014 6.037 159 1HB PRO 20 2HB PRO 20 -10.687 11.061 8.618 160 2HB PRO 20 1HB PRO 20 -11.518 9.856 7.622 161 1HG PRO 20 2HG PRO 20 -10.358 9.331 10.026 162 2HG PRO 20 1HG PRO 20 -10.584 8.123 8.749 163 1HD PRO 20 2HD PRO 20 -8.121 9.693 9.437 164 2HD PRO 20 1HD PRO 20 -8.278 7.974 9.041 165 H ASN 21 H ASN 21 -6.999 11.264 6.945 166 HA ASN 21 HA ASN 21 -8.043 14.005 6.463 167 1HB ASN 21 2HB ASN 21 -6.274 13.325 8.805 168 2HB ASN 21 1HB ASN 21 -6.679 14.950 8.287 169 1HD2 ASN 21 1HD2 ASN 21 -7.786 12.251 10.143 170 2HD2 ASN 21 2HD2 ASN 21 -9.317 12.874 10.520 171 H LEU 22 H LEU 22 -5.748 11.718 5.686 172 HA LEU 22 HA LEU 22 -3.586 13.570 5.107 173 1HB LEU 22 2HB LEU 22 -3.981 10.706 4.232 174 2HB LEU 22 1HB LEU 22 -2.494 11.644 4.071 175 HG LEU 22 HG LEU 22 -3.867 10.970 6.693 176 1HD1 LEU 22 1HD1 LEU 22 -2.894 8.980 6.070 177 2HD1 LEU 22 2HD1 LEU 22 -1.541 9.755 6.891 178 3HD1 LEU 22 3HD1 LEU 22 -1.625 9.757 5.131 179 1HD2 LEU 22 1HD2 LEU 22 -2.702 12.889 7.253 180 2HD2 LEU 22 2HD2 LEU 22 -1.544 12.690 5.928 181 3HD2 LEU 22 3HD2 LEU 22 -1.393 11.713 7.383 182 H ASN 23 H ASN 23 -2.837 14.154 3.026 183 HA ASN 23 HA ASN 23 -5.003 14.210 1.026 184 1HB ASN 23 2HB ASN 23 -3.888 16.061 0.002 185 2HB ASN 23 1HB ASN 23 -3.926 16.374 1.730 186 1HD2 ASN 23 1HD2 ASN 23 -2.001 17.451 -0.269 187 2HD2 ASN 23 2HD2 ASN 23 -0.466 16.958 0.256 188 H GLY 24 H GLY 24 -4.312 13.958 -1.266 189 1HA GLY 24 2HA GLY 24 -3.379 11.437 -1.799 190 2HA GLY 24 1HA GLY 24 -3.330 12.751 -2.964 191 H VAL 25 H VAL 25 -1.446 14.375 -1.422 192 HA VAL 25 HA VAL 25 0.978 13.201 -2.408 193 HB VAL 25 HB VAL 25 0.489 15.708 -0.802 194 1HG1 VAL 25 1HG1 VAL 25 2.972 14.487 -2.010 195 2HG1 VAL 25 2HG1 VAL 25 2.766 15.195 -0.406 196 3HG1 VAL 25 3HG1 VAL 25 2.828 16.236 -1.828 197 1HG2 VAL 25 1HG2 VAL 25 0.794 15.026 -3.733 198 2HG2 VAL 25 2HG2 VAL 25 1.076 16.666 -3.136 199 3HG2 VAL 25 3HG2 VAL 25 -0.512 15.920 -2.953 200 H GLN 26 H GLN 26 -0.178 13.932 0.938 201 HA GLN 26 HA GLN 26 2.142 12.959 2.179 202 1HB GLN 26 2HB GLN 26 -0.615 13.559 3.066 203 2HB GLN 26 1HB GLN 26 0.352 12.518 4.103 204 1HG GLN 26 2HG GLN 26 1.840 14.173 4.647 205 2HG GLN 26 1HG GLN 26 1.759 14.912 3.044 206 1HE2 GLN 26 1HE2 GLN 26 -0.253 14.447 5.949 207 2HE2 GLN 26 2HE2 GLN 26 -1.022 15.953 5.847 208 H VAL 27 H VAL 27 -0.879 11.322 1.302 209 HA VAL 27 HA VAL 27 -0.195 8.801 2.423 210 HB VAL 27 HB VAL 27 -1.975 9.410 0.041 211 1HG1 VAL 27 1HG1 VAL 27 -1.468 7.083 -0.020 212 2HG1 VAL 27 2HG1 VAL 27 -3.016 7.186 0.817 213 3HG1 VAL 27 3HG1 VAL 27 -1.530 6.947 1.739 214 1HG2 VAL 27 1HG2 VAL 27 -2.713 10.559 2.091 215 2HG2 VAL 27 2HG2 VAL 27 -2.601 9.050 2.994 216 3HG2 VAL 27 3HG2 VAL 27 -3.804 9.227 1.719 217 H LYS 28 H LYS 28 0.257 10.236 -0.767 218 HA LYS 28 HA LYS 28 1.505 8.043 -2.039 219 1HB LYS 28 2HB LYS 28 0.565 10.029 -3.220 220 2HB LYS 28 1HB LYS 28 1.862 11.024 -2.566 221 1HG LYS 28 2HG LYS 28 3.505 9.496 -3.730 222 2HG LYS 28 1HG LYS 28 2.128 8.682 -4.483 223 1HD LYS 28 2HD LYS 28 1.391 10.864 -5.435 224 2HD LYS 28 1HD LYS 28 2.824 11.628 -4.747 225 1HE LYS 28 2HE LYS 28 4.287 10.307 -6.129 226 2HE LYS 28 1HE LYS 28 2.950 9.293 -6.674 227 1HZ LYS 28 1HZ LYS 28 1.955 11.464 -7.521 228 2HZ LYS 28 2HZ LYS 28 3.258 10.807 -8.389 229 3HZ LYS 28 3HZ LYS 28 3.510 12.115 -7.336 230 H ALA 29 H ALA 29 2.713 10.631 -0.008 231 HA ALA 29 HA ALA 29 5.480 10.144 -0.412 232 1HB ALA 29 1HB ALA 29 5.837 11.671 1.362 233 2HB ALA 29 2HB ALA 29 4.210 11.413 1.988 234 3HB ALA 29 3HB ALA 29 4.445 12.272 0.464 235 H PHE 30 H PHE 30 3.139 9.217 2.057 236 HA PHE 30 HA PHE 30 4.947 7.881 3.706 237 1HB PHE 30 2HB PHE 30 1.987 7.500 3.326 238 2HB PHE 30 1HB PHE 30 2.936 6.771 4.617 239 HD1 PHE 30 1HD PHE 30 4.772 8.927 5.449 240 HD2 PHE 30 2HD PHE 30 0.597 9.151 4.348 241 HE1 PHE 30 1HE PHE 30 4.505 10.975 6.787 242 HE2 PHE 30 2HE PHE 30 0.367 11.185 5.712 243 HZ PHE 30 HZ PHE 30 2.312 12.090 6.918 244 H ILE 31 H ILE 31 3.019 6.996 0.906 245 HA ILE 31 HA ILE 31 3.669 4.237 0.942 246 HB ILE 31 HB ILE 31 2.614 6.103 -1.162 247 1HG1 ILE 31 2HG1 ILE 31 1.529 3.536 0.043 248 2HG1 ILE 31 1HG1 ILE 31 1.152 5.145 0.648 249 1HG2 ILE 31 1HG2 ILE 31 3.852 3.392 -1.581 250 2HG2 ILE 31 2HG2 ILE 31 3.815 4.782 -2.659 251 3HG2 ILE 31 3HG2 ILE 31 2.383 3.775 -2.475 252 1HD1 ILE 31 1HD1 ILE 31 0.578 4.143 -2.154 253 2HD1 ILE 31 2HD1 ILE 31 0.176 5.743 -1.529 254 3HD1 ILE 31 3HD1 ILE 31 -0.613 4.311 -0.866 255 H ASP 32 H ASP 32 5.012 7.033 -0.735 256 HA ASP 32 HA ASP 32 7.012 5.631 -2.103 257 1HB ASP 32 2HB ASP 32 6.274 8.039 -2.489 258 2HB ASP 32 1HB ASP 32 7.267 8.478 -1.102 259 H SER 33 H SER 33 6.952 7.011 1.092 260 HA SER 33 HA SER 33 9.687 6.551 1.764 261 1HB SER 33 2HB SER 33 7.228 6.851 3.513 262 2HB SER 33 1HB SER 33 8.895 6.862 4.096 263 HG SER 33 HG SER 33 7.809 8.627 2.151 264 H LEU 34 H LEU 34 6.700 4.768 2.036 265 HA LEU 34 HA LEU 34 7.511 2.466 3.511 266 1HB LEU 34 2HB LEU 34 5.309 3.355 1.758 267 2HB LEU 34 1HB LEU 34 5.604 1.646 1.725 268 HG LEU 34 HG LEU 34 5.615 2.687 4.421 269 1HD1 LEU 34 1HD1 LEU 34 3.348 3.331 2.608 270 2HD1 LEU 34 2HD1 LEU 34 3.903 4.183 4.045 271 3HD1 LEU 34 3HD1 LEU 34 2.946 2.716 4.205 272 1HD2 LEU 34 1HD2 LEU 34 4.277 0.521 2.845 273 2HD2 LEU 34 2HD2 LEU 34 3.828 0.826 4.523 274 3HD2 LEU 34 3HD2 LEU 34 5.477 0.388 4.112 275 H ARG 35 H ARG 35 7.246 3.125 0.075 276 HA ARG 35 HA ARG 35 8.295 0.736 -0.973 277 1HB ARG 35 2HB ARG 35 8.371 3.551 -2.075 278 2HB ARG 35 1HB ARG 35 8.715 2.097 -3.009 279 1HG ARG 35 2HG ARG 35 6.461 1.266 -2.591 280 2HG ARG 35 1HG ARG 35 6.126 2.633 -1.570 281 1HD ARG 35 2HD ARG 35 5.148 3.086 -3.717 282 2HD ARG 35 1HD ARG 35 6.528 4.155 -3.489 283 HE ARG 35 HE ARG 35 7.406 3.186 -5.359 284 1HH1 ARG 35 1HH2 ARG 35 5.217 0.978 -3.875 285 2HH1 ARG 35 2HH2 ARG 35 5.575 -0.322 -4.973 286 1HH2 ARG 35 1HH1 ARG 35 7.949 1.478 -6.732 287 2HH2 ARG 35 2HH1 ARG 35 7.124 -0.036 -6.581 288 H ASP 36 H ASP 36 9.851 3.818 -0.190 289 HA ASP 36 HA ASP 36 12.476 3.125 -0.994 290 1HB ASP 36 2HB ASP 36 11.630 5.446 -0.673 291 2HB ASP 36 1HB ASP 36 11.652 5.145 1.053 292 H ASP 37 H ASP 37 10.737 2.950 2.038 293 HA ASP 37 HA ASP 37 12.674 1.031 3.068 294 1HB ASP 37 2HB ASP 37 13.342 3.367 3.852 295 2HB ASP 37 1HB ASP 37 11.841 3.384 4.773 296 HA PRO 38 HA PRO 38 8.454 -0.350 3.818 297 1HB PRO 38 2HB PRO 38 9.497 -3.012 3.922 298 2HB PRO 38 1HB PRO 38 8.487 -2.275 2.692 299 1HG PRO 38 2HG PRO 38 11.137 -3.034 2.410 300 2HG PRO 38 1HG PRO 38 10.214 -2.003 1.309 301 1HD PRO 38 2HD PRO 38 12.281 -1.251 3.270 302 2HD PRO 38 1HD PRO 38 11.697 -0.369 1.842 303 H SER 39 H SER 39 11.392 -1.119 5.540 304 HA SER 39 HA SER 39 10.252 -2.410 7.783 305 1HB SER 39 2HB SER 39 12.737 -0.673 7.783 306 2HB SER 39 1HB SER 39 12.343 -1.972 8.902 307 HG SER 39 HG SER 39 13.054 -2.103 6.174 308 H GLN 40 H GLN 40 10.570 0.875 6.753 309 HA GLN 40 HA GLN 40 9.815 2.049 9.283 310 1HB GLN 40 2HB GLN 40 10.819 2.984 6.688 311 2HB GLN 40 1HB GLN 40 9.601 4.043 7.381 312 1HG GLN 40 2HG GLN 40 11.691 4.816 8.212 313 2HG GLN 40 1HG GLN 40 10.930 3.960 9.548 314 1HE2 GLN 40 1HE2 GLN 40 13.825 4.209 7.810 315 2HE2 GLN 40 2HE2 GLN 40 14.516 2.726 8.263 316 H SER 41 H SER 41 8.048 0.435 7.005 317 HA SER 41 HA SER 41 5.928 2.004 6.250 318 1HB SER 41 2HB SER 41 4.617 -0.059 6.170 319 2HB SER 41 1HB SER 41 6.266 -0.409 5.671 320 HG SER 41 HG SER 41 5.241 -1.857 7.273 321 H ALA 42 H ALA 42 6.466 0.506 9.400 322 HA ALA 42 HA ALA 42 3.945 1.098 10.580 323 1HB ALA 42 1HB ALA 42 5.645 -0.538 11.441 324 2HB ALA 42 2HB ALA 42 5.075 0.605 12.661 325 3HB ALA 42 3HB ALA 42 6.651 0.843 11.895 326 H ASN 43 H ASN 43 7.044 2.679 10.395 327 HA ASN 43 HA ASN 43 6.553 4.824 12.139 328 1HB ASN 43 2HB ASN 43 8.535 4.108 10.034 329 2HB ASN 43 1HB ASN 43 8.519 5.764 10.650 330 1HD2 ASN 43 1HD2 ASN 43 9.769 2.661 11.222 331 2HD2 ASN 43 2HD2 ASN 43 10.234 2.875 12.840 332 H LEU 44 H LEU 44 6.102 4.323 8.747 333 HA LEU 44 HA LEU 44 5.505 7.019 8.011 334 1HB LEU 44 2HB LEU 44 5.031 4.360 6.629 335 2HB LEU 44 1HB LEU 44 5.005 5.957 5.853 336 HG LEU 44 HG LEU 44 7.366 5.043 7.488 337 1HD1 LEU 44 1HD1 LEU 44 7.368 3.401 5.857 338 2HD1 LEU 44 2HD1 LEU 44 8.456 4.638 5.232 339 3HD1 LEU 44 3HD1 LEU 44 6.810 4.509 4.603 340 1HD2 LEU 44 1HD2 LEU 44 6.836 7.175 5.483 341 2HD2 LEU 44 2HD2 LEU 44 8.450 6.768 6.067 342 3HD2 LEU 44 3HD2 LEU 44 7.219 7.350 7.192 343 H LEU 45 H LEU 45 3.863 4.181 8.884 344 HA LEU 45 HA LEU 45 1.183 5.081 8.477 345 1HB LEU 45 2HB LEU 45 1.491 2.736 8.676 346 2HB LEU 45 1HB LEU 45 2.454 2.902 10.139 347 HG LEU 45 HG LEU 45 0.481 3.646 11.385 348 1HD1 LEU 45 1HD1 LEU 45 -1.773 3.389 10.163 349 2HD1 LEU 45 2HD1 LEU 45 -0.837 3.472 8.672 350 3HD1 LEU 45 3HD1 LEU 45 -0.824 4.827 9.800 351 1HD2 LEU 45 1HD2 LEU 45 0.064 1.124 9.750 352 2HD2 LEU 45 2HD2 LEU 45 -0.814 1.516 11.233 353 3HD2 LEU 45 3HD2 LEU 45 0.931 1.263 11.280 354 H ALA 46 H ALA 46 3.553 5.173 11.009 355 HA ALA 46 HA ALA 46 1.992 6.301 13.066 356 1HB ALA 46 1HB ALA 46 4.009 6.570 14.226 357 2HB ALA 46 2HB ALA 46 4.912 6.879 12.738 358 3HB ALA 46 3HB ALA 46 4.388 5.239 13.131 359 H GLU 47 H GLU 47 4.135 7.601 10.635 360 HA GLU 47 HA GLU 47 3.963 10.320 11.291 361 1HB GLU 47 2HB GLU 47 4.631 8.729 8.851 362 2HB GLU 47 1HB GLU 47 4.532 10.485 8.752 363 1HG GLU 47 2HG GLU 47 6.410 8.804 10.404 364 2HG GLU 47 1HG GLU 47 6.809 9.931 9.115 365 H ALA 48 H ALA 48 2.102 8.177 9.263 366 HA ALA 48 HA ALA 48 0.506 10.148 8.040 367 1HB ALA 48 1HB ALA 48 0.702 8.047 7.001 368 2HB ALA 48 2HB ALA 48 -0.940 8.087 7.619 369 3HB ALA 48 3HB ALA 48 0.301 7.190 8.486 370 H LYS 49 H LYS 49 0.097 8.027 10.847 371 HA LYS 49 HA LYS 49 -2.500 8.891 11.574 372 1HB LYS 49 2HB LYS 49 -0.232 7.774 13.243 373 2HB LYS 49 1HB LYS 49 -1.856 8.062 13.863 374 1HG LYS 49 2HG LYS 49 -1.425 6.384 11.391 375 2HG LYS 49 1HG LYS 49 -1.284 5.675 12.996 376 1HD LYS 49 2HD LYS 49 -3.570 6.298 13.530 377 2HD LYS 49 1HD LYS 49 -3.719 7.206 12.028 378 1HE LYS 49 2HE LYS 49 -4.792 4.970 11.868 379 2HE LYS 49 1HE LYS 49 -3.466 5.148 10.719 380 1HZ LYS 49 1HZ LYS 49 -2.033 3.913 12.141 381 2HZ LYS 49 2HZ LYS 49 -3.466 3.016 11.963 382 3HZ LYS 49 3HZ LYS 49 -3.179 3.890 13.393 383 H LYS 50 H LYS 50 0.712 10.184 12.000 384 HA LYS 50 HA LYS 50 -0.017 12.166 13.908 385 1HB LYS 50 2HB LYS 50 2.291 11.217 13.640 386 2HB LYS 50 1HB LYS 50 2.397 12.052 12.096 387 1HG LYS 50 2HG LYS 50 1.746 14.172 13.543 388 2HG LYS 50 1HG LYS 50 2.378 13.196 14.869 389 1HD LYS 50 2HD LYS 50 3.910 13.637 12.297 390 2HD LYS 50 1HD LYS 50 4.075 14.705 13.691 391 1HE LYS 50 2HE LYS 50 4.816 12.829 15.081 392 2HE LYS 50 1HE LYS 50 4.561 11.707 13.743 393 1HZ LYS 50 1HZ LYS 50 6.220 12.897 12.464 394 2HZ LYS 50 2HZ LYS 50 6.881 12.353 13.931 395 3HZ LYS 50 3HZ LYS 50 6.462 13.989 13.740 396 H LEU 51 H LEU 51 0.500 12.052 10.449 397 HA LEU 51 HA LEU 51 0.053 14.814 10.007 398 1HB LEU 51 2HB LEU 51 0.377 12.400 8.309 399 2HB LEU 51 1HB LEU 51 -0.510 13.745 7.600 400 HG LEU 51 HG LEU 51 1.815 13.990 7.032 401 1HD1 LEU 51 1HD1 LEU 51 0.326 15.978 8.023 402 2HD1 LEU 51 2HD1 LEU 51 1.990 16.223 7.494 403 3HD1 LEU 51 3HD1 LEU 51 1.634 16.012 9.207 404 1HD2 LEU 51 1HD2 LEU 51 3.394 14.464 9.100 405 2HD2 LEU 51 2HD2 LEU 51 3.099 12.812 8.575 406 3HD2 LEU 51 3HD2 LEU 51 2.224 13.464 9.960 407 H ASN 52 H ASN 52 -1.917 11.932 9.851 408 HA ASN 52 HA ASN 52 -4.291 13.075 8.901 409 1HB ASN 52 2HB ASN 52 -3.893 10.671 8.963 410 2HB ASN 52 1HB ASN 52 -3.843 10.699 10.721 411 1HD2 ASN 52 1HD2 ASN 52 -5.877 10.951 11.864 412 2HD2 ASN 52 2HD2 ASN 52 -7.368 10.825 11.062 413 H ASP 53 H ASP 53 -3.020 12.453 12.148 414 HA ASP 53 HA ASP 53 -5.221 13.446 13.573 415 1HB ASP 53 2HB ASP 53 -3.495 12.032 14.595 416 2HB ASP 53 1HB ASP 53 -2.334 13.346 14.441 417 H ALA 54 H ALA 54 -2.277 14.940 12.377 418 HA ALA 54 HA ALA 54 -2.626 17.487 13.530 419 1HB ALA 54 1HB ALA 54 -1.118 16.522 11.097 420 2HB ALA 54 2HB ALA 54 -0.464 16.914 12.686 421 3HB ALA 54 3HB ALA 54 -1.072 18.200 11.642 422 H GLN 55 H GLN 55 -3.679 15.985 10.523 423 HA GLN 55 HA GLN 55 -4.994 18.415 9.573 424 1HB GLN 55 2HB GLN 55 -4.679 15.612 8.499 425 2HB GLN 55 1HB GLN 55 -5.666 16.840 7.691 426 1HG GLN 55 2HG GLN 55 -3.770 18.277 7.371 427 2HG GLN 55 1HG GLN 55 -2.764 17.299 8.438 428 1HE2 GLN 55 1HE2 GLN 55 -2.759 14.830 7.646 429 2HE2 GLN 55 2HE2 GLN 55 -2.469 14.634 5.986 430 H ALA 56 H ALA 56 -5.736 16.184 11.861 431 HA ALA 56 HA ALA 56 -8.458 15.552 11.208 432 1HB ALA 56 1HB ALA 56 -8.572 14.539 13.355 433 2HB ALA 56 2HB ALA 56 -7.251 15.525 13.976 434 3HB ALA 56 3HB ALA 56 -6.923 14.255 12.801 435 HA PRO 57 HA PRO 57 -10.485 19.113 12.736 436 1HB PRO 57 2HB PRO 57 -12.724 17.618 13.793 437 2HB PRO 57 1HB PRO 57 -12.597 18.436 12.232 438 1HG PRO 57 2HG PRO 57 -12.780 15.744 12.536 439 2HG PRO 57 1HG PRO 57 -12.002 16.536 11.154 440 1HD PRO 57 2HD PRO 57 -10.741 15.385 13.617 441 2HD PRO 57 1HD PRO 57 -10.245 15.212 11.914 442 H LYS 58 H LYS 58 -8.618 17.979 14.562 443 HA LYS 58 HA LYS 58 -9.763 18.096 17.224 444 1HB LYS 58 2HB LYS 58 -6.983 17.681 16.208 445 2HB LYS 58 1HB LYS 58 -7.381 17.728 17.919 446 1HG LYS 58 2HG LYS 58 -8.829 15.807 17.708 447 2HG LYS 58 1HG LYS 58 -8.717 15.845 15.950 448 1HD LYS 58 2HD LYS 58 -7.260 14.086 16.800 449 2HD LYS 58 1HD LYS 58 -6.271 15.377 16.126 450 1HE LYS 58 2HE LYS 58 -6.905 15.673 19.007 451 2HE LYS 58 1HE LYS 58 -5.883 14.294 18.606 452 1HZ LYS 58 1HZ LYS 58 -4.623 16.349 19.036 453 2HZ LYS 58 2HZ LYS 58 -5.377 17.073 17.696 454 3HZ LYS 58 3HZ LYS 58 -4.359 15.730 17.479 455 1H VAL 1 1HT VAL 1 -14.483 -7.570 1.165 456 2H VAL 1 2HT VAL 1 -15.256 -6.069 0.977 457 3H VAL 1 3HT VAL 1 -15.911 -7.240 2.018 458 HA VAL 1 HA VAL 1 -13.208 -6.132 2.445 459 HB VAL 1 HB VAL 1 -14.809 -4.245 2.357 460 1HG1 VAL 1 1HG1 VAL 1 -16.734 -4.110 3.763 461 2HG1 VAL 1 2HG1 VAL 1 -16.265 -5.543 4.675 462 3HG1 VAL 1 3HG1 VAL 1 -16.814 -5.700 3.007 463 1HG2 VAL 1 1HG2 VAL 1 -14.277 -3.293 4.516 464 2HG2 VAL 1 2HG2 VAL 1 -12.920 -4.311 4.036 465 3HG2 VAL 1 3HG2 VAL 1 -14.079 -4.892 5.233 466 H ASP 2 H ASP 2 -16.182 -7.637 3.640 467 HA ASP 2 HA ASP 2 -15.075 -8.470 6.160 468 1HB ASP 2 2HB ASP 2 -17.168 -9.747 6.373 469 2HB ASP 2 1HB ASP 2 -17.487 -8.092 5.858 470 H ASN 3 H ASN 3 -14.515 -9.466 3.057 471 HA ASN 3 HA ASN 3 -14.486 -12.278 3.239 472 1HB ASN 3 2HB ASN 3 -12.867 -12.056 1.277 473 2HB ASN 3 1HB ASN 3 -14.452 -11.317 1.066 474 1HD2 ASN 3 1HD2 ASN 3 -11.229 -10.338 2.417 475 2HD2 ASN 3 2HD2 ASN 3 -11.254 -8.793 1.714 476 H LYS 4 H LYS 4 -12.540 -13.649 3.224 477 HA LYS 4 HA LYS 4 -10.806 -13.035 5.411 478 1HB LYS 4 2HB LYS 4 -9.688 -15.192 4.813 479 2HB LYS 4 1HB LYS 4 -11.426 -15.338 5.054 480 1HG LYS 4 2HG LYS 4 -11.728 -16.071 2.946 481 2HG LYS 4 1HG LYS 4 -10.874 -14.685 2.287 482 1HD LYS 4 2HD LYS 4 -9.369 -17.005 3.497 483 2HD LYS 4 1HD LYS 4 -9.903 -17.040 1.820 484 1HE LYS 4 2HE LYS 4 -7.873 -16.058 1.437 485 2HE LYS 4 1HE LYS 4 -8.732 -14.587 1.879 486 1HZ LYS 4 1HZ LYS 4 -7.592 -16.190 4.039 487 2HZ LYS 4 2HZ LYS 4 -7.753 -14.504 3.906 488 3HZ LYS 4 3HZ LYS 4 -6.515 -15.311 3.068 489 H PHE 5 H PHE 5 -10.774 -12.172 2.194 490 HA PHE 5 HA PHE 5 -7.996 -12.241 1.669 491 1HB PHE 5 2HB PHE 5 -10.325 -10.886 0.328 492 2HB PHE 5 1HB PHE 5 -8.664 -10.649 -0.224 493 HD1 PHE 5 1HD PHE 5 -11.038 -13.372 0.766 494 HD2 PHE 5 2HD PHE 5 -7.716 -12.199 -1.699 495 HE1 PHE 5 1HE PHE 5 -11.074 -15.588 -0.351 496 HE2 PHE 5 2HE PHE 5 -7.755 -14.413 -2.809 497 HZ PHE 5 HZ PHE 5 -9.423 -16.107 -2.127 498 H ASN 6 H ASN 6 -9.487 -10.449 3.964 499 HA ASN 6 HA ASN 6 -8.444 -7.835 3.531 500 1HB ASN 6 2HB ASN 6 -10.119 -8.455 5.320 501 2HB ASN 6 1HB ASN 6 -8.808 -9.237 6.199 502 1HD2 ASN 6 1HD2 ASN 6 -8.036 -6.312 4.399 503 2HD2 ASN 6 2HD2 ASN 6 -7.913 -5.297 5.752 504 H LYS 7 H LYS 7 -7.151 -10.718 5.104 505 HA LYS 7 HA LYS 7 -4.598 -9.618 5.746 506 1HB LYS 7 2HB LYS 7 -5.439 -11.622 6.870 507 2HB LYS 7 1HB LYS 7 -5.498 -12.486 5.336 508 1HG LYS 7 2HG LYS 7 -3.088 -12.371 5.102 509 2HG LYS 7 1HG LYS 7 -2.954 -11.327 6.518 510 1HD LYS 7 2HD LYS 7 -2.395 -13.470 7.349 511 2HD LYS 7 1HD LYS 7 -4.084 -13.273 7.811 512 1HE LYS 7 2HE LYS 7 -3.918 -15.467 6.874 513 2HE LYS 7 1HE LYS 7 -4.681 -14.477 5.630 514 1HZ LYS 7 1HZ LYS 7 -2.350 -15.958 5.411 515 2HZ LYS 7 2HZ LYS 7 -1.869 -14.328 5.396 516 3HZ LYS 7 3HZ LYS 7 -3.005 -14.891 4.265 517 H GLU 8 H GLU 8 -5.901 -11.497 3.058 518 HA GLU 8 HA GLU 8 -3.508 -11.854 1.601 519 1HB GLU 8 2HB GLU 8 -6.371 -11.720 0.586 520 2HB GLU 8 1HB GLU 8 -5.003 -12.427 -0.273 521 1HG GLU 8 2HG GLU 8 -6.187 -13.386 2.351 522 2HG GLU 8 1HG GLU 8 -6.279 -14.212 0.793 523 H ARG 9 H ARG 9 -5.944 -9.320 1.601 524 HA ARG 9 HA ARG 9 -5.186 -7.926 -0.702 525 1HB ARG 9 2HB ARG 9 -7.318 -7.574 0.478 526 2HB ARG 9 1HB ARG 9 -6.453 -6.878 1.846 527 1HG ARG 9 2HG ARG 9 -5.606 -5.067 0.402 528 2HG ARG 9 1HG ARG 9 -6.438 -5.774 -0.982 529 1HD ARG 9 2HD ARG 9 -7.776 -3.949 -0.045 530 2HD ARG 9 1HD ARG 9 -8.603 -5.487 0.190 531 HE ARG 9 HE ARG 9 -6.931 -4.448 2.382 532 1HH1 ARG 9 1HH2 ARG 9 -9.285 -6.612 2.100 533 2HH1 ARG 9 2HH2 ARG 9 -10.449 -5.866 3.143 534 1HH2 ARG 9 1HH1 ARG 9 -8.768 -2.843 3.289 535 2HH2 ARG 9 2HH1 ARG 9 -10.157 -3.733 3.813 536 H VAL 10 H VAL 10 -4.143 -7.610 2.708 537 HA VAL 10 HA VAL 10 -2.495 -5.363 2.248 538 HB VAL 10 HB VAL 10 -2.053 -5.338 4.429 539 1HG1 VAL 10 1HG1 VAL 10 -3.777 -7.769 4.839 540 2HG1 VAL 10 2HG1 VAL 10 -4.477 -6.256 4.267 541 3HG1 VAL 10 3HG1 VAL 10 -3.659 -6.315 5.837 542 1HG2 VAL 10 1HG2 VAL 10 -0.282 -7.023 4.181 543 2HG2 VAL 10 2HG2 VAL 10 -1.487 -8.292 4.407 544 3HG2 VAL 10 3HG2 VAL 10 -1.130 -7.165 5.723 545 H ILE 11 H ILE 11 -1.922 -8.810 1.951 546 HA ILE 11 HA ILE 11 0.887 -8.692 1.675 547 HB ILE 11 HB ILE 11 -0.908 -10.609 0.171 548 1HG1 ILE 11 2HG1 ILE 11 -0.866 -10.240 2.975 549 2HG1 ILE 11 1HG1 ILE 11 -1.541 -11.600 2.102 550 1HG2 ILE 11 1HG2 ILE 11 1.945 -10.781 1.227 551 2HG2 ILE 11 2HG2 ILE 11 1.466 -10.622 -0.467 552 3HG2 ILE 11 3HG2 ILE 11 1.084 -12.096 0.419 553 1HD1 ILE 11 1HD1 ILE 11 0.839 -12.602 2.155 554 2HD1 ILE 11 2HD1 ILE 11 -0.052 -12.569 3.663 555 3HD1 ILE 11 3HD1 ILE 11 1.197 -11.361 3.361 556 H ALA 12 H ALA 12 -1.771 -8.185 -0.657 557 HA ALA 12 HA ALA 12 -0.119 -7.941 -2.978 558 1HB ALA 12 1HB ALA 12 -2.936 -7.285 -2.226 559 2HB ALA 12 2HB ALA 12 -2.342 -8.285 -3.545 560 3HB ALA 12 3HB ALA 12 -2.254 -6.528 -3.666 561 H ILE 13 H ILE 13 -1.609 -5.607 -0.757 562 HA ILE 13 HA ILE 13 -0.573 -3.272 -1.941 563 HB ILE 13 HB ILE 13 -1.061 -3.819 1.018 564 1HG1 ILE 13 2HG1 ILE 13 -2.952 -2.556 -0.938 565 2HG1 ILE 13 1HG1 ILE 13 -2.976 -4.286 -0.646 566 1HG2 ILE 13 1HG2 ILE 13 -0.934 -1.269 -0.610 567 2HG2 ILE 13 2HG2 ILE 13 0.093 -1.707 0.743 568 3HG2 ILE 13 3HG2 ILE 13 -1.616 -1.355 1.015 569 1HD1 ILE 13 1HD1 ILE 13 -3.357 -2.116 1.399 570 2HD1 ILE 13 2HD1 ILE 13 -3.335 -3.827 1.757 571 3HD1 ILE 13 3HD1 ILE 13 -4.623 -3.159 0.762 572 H GLY 14 H GLY 14 0.700 -5.630 0.278 573 1HA GLY 14 2HA GLY 14 3.160 -4.372 0.911 574 2HA GLY 14 1HA GLY 14 2.798 -6.087 1.040 575 H GLU 15 H GLU 15 2.201 -6.626 -1.664 576 HA GLU 15 HA GLU 15 4.833 -7.033 -2.674 577 1HB GLU 15 2HB GLU 15 2.737 -8.467 -2.995 578 2HB GLU 15 1HB GLU 15 2.266 -7.312 -4.218 579 1HG GLU 15 2HG GLU 15 3.797 -8.091 -5.729 580 2HG GLU 15 1HG GLU 15 5.036 -8.264 -4.478 581 H ILE 16 H ILE 16 2.106 -4.969 -3.589 582 HA ILE 16 HA ILE 16 3.246 -3.807 -5.891 583 HB ILE 16 HB ILE 16 1.559 -2.158 -4.027 584 1HG1 ILE 16 2HG1 ILE 16 0.926 -4.846 -4.998 585 2HG1 ILE 16 1HG1 ILE 16 0.125 -3.853 -3.791 586 1HG2 ILE 16 1HG2 ILE 16 1.567 -2.554 -7.027 587 2HG2 ILE 16 2HG2 ILE 16 2.245 -1.186 -6.166 588 3HG2 ILE 16 3HG2 ILE 16 0.510 -1.456 -6.155 589 1HD1 ILE 16 1HD1 ILE 16 -0.955 -2.621 -5.625 590 2HD1 ILE 16 2HD1 ILE 16 -1.421 -4.320 -5.497 591 3HD1 ILE 16 3HD1 ILE 16 -0.286 -3.808 -6.749 592 H MET 17 H MET 17 3.150 -2.612 -2.586 593 HA MET 17 HA MET 17 4.763 -0.333 -2.845 594 1HB MET 17 2HB MET 17 4.363 -2.151 -0.487 595 2HB MET 17 1HB MET 17 5.000 -0.501 -0.438 596 1HG MET 17 2HG MET 17 2.307 -1.148 -1.657 597 2HG MET 17 1HG MET 17 2.490 -0.725 0.041 598 1HE MET 17 1HE MET 17 4.814 2.067 -0.311 599 2HE MET 17 2HE MET 17 4.036 0.828 0.696 600 3HE MET 17 3HE MET 17 3.296 2.430 0.524 601 H ARG 18 H ARG 18 5.595 -3.726 -2.437 602 HA ARG 18 HA ARG 18 8.378 -3.309 -1.941 603 1HB ARG 18 2HB ARG 18 6.574 -5.569 -2.279 604 2HB ARG 18 1HB ARG 18 8.230 -5.859 -2.784 605 1HG ARG 18 2HG ARG 18 8.443 -4.421 -0.370 606 2HG ARG 18 1HG ARG 18 7.154 -5.577 -0.092 607 1HD ARG 18 2HD ARG 18 9.359 -6.796 -1.513 608 2HD ARG 18 1HD ARG 18 9.894 -6.063 -0.010 609 HE ARG 18 HE ARG 18 8.186 -7.421 1.128 610 1HH1 ARG 18 1HH1 ARG 18 7.134 -8.117 -1.812 611 2HH1 ARG 18 2HH1 ARG 18 7.464 -9.817 -1.818 612 1HH2 ARG 18 1HH2 ARG 18 9.451 -9.707 1.017 613 2HH2 ARG 18 2HH2 ARG 18 8.776 -10.716 -0.216 614 H LEU 19 H LEU 19 6.433 -3.893 -4.851 615 HA LEU 19 HA LEU 19 8.396 -4.654 -6.656 616 1HB LEU 19 2HB LEU 19 6.005 -2.881 -7.087 617 2HB LEU 19 1HB LEU 19 7.035 -3.411 -8.394 618 HG LEU 19 HG LEU 19 5.684 -5.333 -6.493 619 1HD1 LEU 19 1HD1 LEU 19 3.947 -5.620 -8.156 620 2HD1 LEU 19 2HD1 LEU 19 4.742 -4.478 -9.240 621 3HD1 LEU 19 3HD1 LEU 19 4.034 -3.920 -7.730 622 1HD2 LEU 19 1HD2 LEU 19 6.617 -6.956 -7.744 623 2HD2 LEU 19 2HD2 LEU 19 7.696 -5.697 -8.331 624 3HD2 LEU 19 3HD2 LEU 19 6.256 -6.120 -9.251 625 HA PRO 20 HA PRO 20 10.938 -0.988 -6.368 626 1HB PRO 20 2HB PRO 20 12.891 -2.308 -8.025 627 2HB PRO 20 1HB PRO 20 12.951 -1.990 -6.290 628 1HG PRO 20 2HG PRO 20 12.746 -4.465 -7.445 629 2HG PRO 20 1HG PRO 20 12.290 -4.073 -5.780 630 1HD PRO 20 2HD PRO 20 10.554 -4.442 -8.173 631 2HD PRO 20 1HD PRO 20 10.243 -4.829 -6.465 632 H ASN 21 H ASN 21 9.271 -2.101 -9.065 633 HA ASN 21 HA ASN 21 10.516 -0.079 -10.833 634 1HB ASN 21 2HB ASN 21 8.780 -2.437 -11.548 635 2HB ASN 21 1HB ASN 21 9.494 -1.310 -12.687 636 1HD2 ASN 21 1HD2 ASN 21 9.997 -4.218 -12.528 637 2HD2 ASN 21 2HD2 ASN 21 11.659 -4.395 -12.228 638 H LEU 22 H LEU 22 7.693 -0.774 -8.989 639 HA LEU 22 HA LEU 22 5.866 0.745 -10.616 640 1HB LEU 22 2HB LEU 22 5.655 -0.213 -7.768 641 2HB LEU 22 1HB LEU 22 4.381 0.667 -8.584 642 HG LEU 22 HG LEU 22 5.451 -2.087 -9.175 643 1HD1 LEU 22 1HD1 LEU 22 2.985 -2.584 -9.118 644 2HD1 LEU 22 2HD1 LEU 22 2.705 -0.904 -8.667 645 3HD1 LEU 22 3HD1 LEU 22 3.614 -1.963 -7.592 646 1HD2 LEU 22 1HD2 LEU 22 5.372 -1.182 -11.332 647 2HD2 LEU 22 2HD2 LEU 22 3.969 -0.174 -10.940 648 3HD2 LEU 22 3HD2 LEU 22 3.778 -1.907 -11.129 649 H ASN 23 H ASN 23 4.751 2.599 -9.932 650 HA ASN 23 HA ASN 23 6.517 4.643 -8.779 651 1HB ASN 23 2HB ASN 23 5.739 5.494 -10.769 652 2HB ASN 23 1HB ASN 23 4.318 4.509 -10.767 653 1HD2 ASN 23 1HD2 ASN 23 5.551 7.071 -8.587 654 2HD2 ASN 23 2HD2 ASN 23 4.118 7.971 -8.622 655 H SER 24 H SER 24 5.606 6.083 -7.123 656 HA SER 24 HA SER 24 4.165 4.720 -5.107 657 1HB SER 24 2HB SER 24 3.953 7.008 -4.066 658 2HB SER 24 1HB SER 24 5.599 6.536 -4.472 659 HG SER 24 HG SER 24 5.522 8.429 -5.433 660 H LEU 25 H LEU 25 3.186 7.016 -7.597 661 HA LEU 25 HA LEU 25 0.458 7.177 -6.809 662 1HB LEU 25 2HB LEU 25 2.114 8.357 -8.828 663 2HB LEU 25 1HB LEU 25 0.657 7.745 -9.559 664 HG LEU 25 HG LEU 25 0.789 9.572 -7.197 665 1HD1 LEU 25 1HD1 LEU 25 1.359 10.576 -9.449 666 2HD1 LEU 25 2HD1 LEU 25 -0.054 11.287 -8.670 667 3HD1 LEU 25 3HD1 LEU 25 -0.260 10.123 -9.980 668 1HD2 LEU 25 1HD2 LEU 25 -1.315 7.922 -8.401 669 2HD2 LEU 25 2HD2 LEU 25 -1.786 9.598 -8.108 670 3HD2 LEU 25 3HD2 LEU 25 -1.209 8.596 -6.777 671 H GLN 26 H GLN 26 2.275 5.122 -9.057 672 HA GLN 26 HA GLN 26 0.056 3.880 -10.296 673 1HB GLN 26 2HB GLN 26 2.910 3.067 -9.820 674 2HB GLN 26 1HB GLN 26 1.768 1.956 -10.569 675 1HG GLN 26 2HG GLN 26 1.315 3.594 -12.342 676 2HG GLN 26 1HG GLN 26 2.435 4.739 -11.581 677 1HE2 GLN 26 1HE2 GLN 26 3.906 1.882 -10.961 678 2HE2 GLN 26 2HE2 GLN 26 4.849 1.723 -12.361 679 H VAL 27 H VAL 27 1.907 3.252 -7.413 680 HA VAL 27 HA VAL 27 0.718 0.797 -6.710 681 HB VAL 27 HB VAL 27 2.135 2.860 -5.020 682 1HG1 VAL 27 1HG1 VAL 27 2.420 0.404 -3.782 683 2HG1 VAL 27 2HG1 VAL 27 0.743 0.355 -4.322 684 3HG1 VAL 27 3HG1 VAL 27 1.295 1.665 -3.283 685 1HG2 VAL 27 1HG2 VAL 27 3.043 1.088 -7.021 686 2HG2 VAL 27 2HG2 VAL 27 3.471 0.323 -5.491 687 3HG2 VAL 27 3HG2 VAL 27 4.033 1.954 -5.845 688 H VAL 28 H VAL 28 -0.016 4.161 -5.947 689 HA VAL 28 HA VAL 28 -2.146 3.683 -4.168 690 HB VAL 28 HB VAL 28 -1.725 5.987 -6.101 691 1HG1 VAL 28 1HG1 VAL 28 -3.150 6.589 -3.647 692 2HG1 VAL 28 2HG1 VAL 28 -3.963 5.315 -4.549 693 3HG1 VAL 28 3HG1 VAL 28 -3.643 6.865 -5.320 694 1HG2 VAL 28 1HG2 VAL 28 -0.217 6.841 -4.634 695 2HG2 VAL 28 2HG2 VAL 28 -0.161 5.235 -3.910 696 3HG2 VAL 28 3HG2 VAL 28 -1.240 6.461 -3.248 697 H ALA 29 H ALA 29 -1.852 3.725 -7.658 698 HA ALA 29 HA ALA 29 -4.566 3.721 -8.407 699 1HB ALA 29 1HB ALA 29 -2.833 2.083 -10.111 700 2HB ALA 29 2HB ALA 29 -2.079 3.625 -9.693 701 3HB ALA 29 3HB ALA 29 -3.658 3.599 -10.484 702 H PHE 30 H PHE 30 -2.260 1.158 -7.697 703 HA PHE 30 HA PHE 30 -4.072 -0.996 -8.089 704 1HB PHE 30 2HB PHE 30 -1.328 -0.769 -6.818 705 2HB PHE 30 1HB PHE 30 -2.162 -2.280 -7.139 706 HD1 PHE 30 1HD PHE 30 -3.372 -2.067 -9.737 707 HD2 PHE 30 2HD PHE 30 0.398 -0.417 -8.415 708 HE1 PHE 30 1HE PHE 30 -2.589 -1.924 -12.058 709 HE2 PHE 30 2HE PHE 30 1.145 -0.298 -10.745 710 HZ PHE 30 HZ PHE 30 -0.343 -1.060 -12.575 711 H ILE 31 H ILE 31 -2.892 0.820 -5.264 712 HA ILE 31 HA ILE 31 -4.103 -0.830 -3.296 713 HB ILE 31 HB ILE 31 -3.442 2.130 -3.234 714 1HG1 ILE 31 2HG1 ILE 31 -1.998 -0.153 -1.873 715 2HG1 ILE 31 1HG1 ILE 31 -1.571 0.353 -3.499 716 1HG2 ILE 31 1HG2 ILE 31 -4.272 0.210 -1.045 717 2HG2 ILE 31 2HG2 ILE 31 -5.116 1.672 -1.536 718 3HG2 ILE 31 3HG2 ILE 31 -3.549 1.784 -0.734 719 1HD1 ILE 31 1HD1 ILE 31 -1.569 2.113 -1.027 720 2HD1 ILE 31 2HD1 ILE 31 -1.204 2.657 -2.668 721 3HD1 ILE 31 3HD1 ILE 31 -0.137 1.503 -1.864 722 H ASN 32 H ASN 32 -5.168 1.949 -5.148 723 HA ASN 32 HA ASN 32 -7.754 2.214 -4.005 724 1HB ASN 32 2HB ASN 32 -6.525 3.050 -6.619 725 2HB ASN 32 1HB ASN 32 -8.264 3.178 -6.403 726 1HD2 ASN 32 1HD2 ASN 32 -5.652 5.093 -6.304 727 2HD2 ASN 32 2HD2 ASN 32 -6.080 6.146 -5.044 728 H SER 33 H SER 33 -6.437 0.044 -6.498 729 HA SER 33 HA SER 33 -9.010 -0.833 -7.383 730 1HB SER 33 2HB SER 33 -6.205 -1.579 -8.007 731 2HB SER 33 1HB SER 33 -7.516 -2.656 -8.481 732 HG SER 33 HG SER 33 -7.942 0.013 -9.007 733 H LEU 34 H LEU 34 -6.683 -1.731 -4.980 734 HA LEU 34 HA LEU 34 -7.682 -4.333 -4.355 735 1HB LEU 34 2HB LEU 34 -6.169 -2.230 -2.784 736 2HB LEU 34 1HB LEU 34 -6.600 -3.785 -2.084 737 HG LEU 34 HG LEU 34 -5.195 -3.647 -4.735 738 1HD1 LEU 34 1HD1 LEU 34 -4.057 -2.649 -2.384 739 2HD1 LEU 34 2HD1 LEU 34 -3.205 -3.092 -3.857 740 3HD1 LEU 34 3HD1 LEU 34 -3.393 -4.281 -2.560 741 1HD2 LEU 34 1HD2 LEU 34 -4.774 -5.710 -2.659 742 2HD2 LEU 34 2HD2 LEU 34 -4.887 -5.869 -4.411 743 3HD2 LEU 34 3HD2 LEU 34 -6.347 -5.634 -3.445 744 H ARG 35 H ARG 35 -8.229 -1.102 -3.268 745 HA ARG 35 HA ARG 35 -10.333 -1.427 -1.397 746 1HB ARG 35 2HB ARG 35 -9.056 0.724 -2.857 747 2HB ARG 35 1HB ARG 35 -10.794 0.948 -2.899 748 1HG ARG 35 2HG ARG 35 -10.763 1.722 -0.798 749 2HG ARG 35 1HG ARG 35 -10.055 0.218 -0.223 750 1HD ARG 35 2HD ARG 35 -7.831 1.261 -1.218 751 2HD ARG 35 1HD ARG 35 -8.713 2.773 -1.028 752 HE ARG 35 HE ARG 35 -7.469 1.346 1.045 753 1HH1 ARG 35 1HH2 ARG 35 -8.349 4.136 1.464 754 2HH1 ARG 35 2HH2 ARG 35 -9.654 3.978 2.589 755 1HH2 ARG 35 1HH1 ARG 35 -10.090 0.592 2.013 756 2HH2 ARG 35 2HH1 ARG 35 -10.640 1.974 2.900 757 H ASP 36 H ASP 36 -10.351 -0.821 -4.873 758 HA ASP 36 HA ASP 36 -13.128 -0.776 -5.288 759 1HB ASP 36 2HB ASP 36 -10.834 -1.502 -7.125 760 2HB ASP 36 1HB ASP 36 -12.493 -1.283 -7.674 761 H ASP 37 H ASP 37 -10.800 -3.441 -5.283 762 HA ASP 37 HA ASP 37 -12.991 -5.352 -5.016 763 1HB ASP 37 2HB ASP 37 -11.055 -6.231 -7.053 764 2HB ASP 37 1HB ASP 37 -12.803 -6.409 -7.010 765 HA PRO 38 HA PRO 38 -9.583 -6.702 -2.383 766 1HB PRO 38 2HB PRO 38 -11.511 -8.202 -0.893 767 2HB PRO 38 1HB PRO 38 -10.634 -6.751 -0.404 768 1HG PRO 38 2HG PRO 38 -13.357 -6.934 -0.912 769 2HG PRO 38 1HG PRO 38 -12.413 -5.444 -0.778 770 1HD PRO 38 2HD PRO 38 -13.470 -6.773 -3.197 771 2HD PRO 38 1HD PRO 38 -13.000 -5.077 -2.947 772 H SER 39 H SER 39 -12.178 -8.546 -3.860 773 HA SER 39 HA SER 39 -11.086 -11.147 -3.522 774 1HB SER 39 2HB SER 39 -13.468 -10.670 -4.158 775 2HB SER 39 1HB SER 39 -12.900 -10.153 -5.743 776 HG SER 39 HG SER 39 -11.875 -12.300 -5.828 777 H GLN 40 H GLN 40 -10.763 -8.590 -5.898 778 HA GLN 40 HA GLN 40 -8.876 -10.161 -7.460 779 1HB GLN 40 2HB GLN 40 -9.465 -7.426 -8.342 780 2HB GLN 40 1HB GLN 40 -9.377 -8.908 -9.249 781 1HG GLN 40 2HG GLN 40 -11.579 -9.615 -8.479 782 2HG GLN 40 1HG GLN 40 -11.715 -8.172 -7.485 783 1HE2 GLN 40 1HE2 GLN 40 -10.643 -6.260 -9.352 784 2HE2 GLN 40 2HE2 GLN 40 -11.725 -6.137 -10.653 785 H SER 41 H SER 41 -8.309 -9.018 -4.710 786 HA SER 41 HA SER 41 -6.595 -6.829 -4.954 787 1HB SER 41 2HB SER 41 -6.495 -9.237 -3.105 788 2HB SER 41 1HB SER 41 -5.413 -7.862 -2.937 789 HG SER 41 HG SER 41 -8.070 -8.126 -2.308 790 H ALA 42 H ALA 42 -6.198 -10.192 -5.651 791 HA ALA 42 HA ALA 42 -3.374 -10.191 -6.112 792 1HB ALA 42 1HB ALA 42 -5.460 -12.089 -7.197 793 2HB ALA 42 2HB ALA 42 -4.828 -12.183 -5.550 794 3HB ALA 42 3HB ALA 42 -3.745 -12.417 -6.926 795 H ASN 43 H ASN 43 -6.213 -9.427 -7.960 796 HA ASN 43 HA ASN 43 -5.240 -9.758 -10.579 797 1HB ASN 43 2HB ASN 43 -7.594 -9.575 -9.696 798 2HB ASN 43 1HB ASN 43 -7.327 -7.827 -9.747 799 1HD2 ASN 43 1HD2 ASN 43 -6.477 -7.021 -11.985 800 2HD2 ASN 43 2HD2 ASN 43 -7.133 -7.762 -13.364 801 H LEU 44 H LEU 44 -5.828 -6.798 -8.696 802 HA LEU 44 HA LEU 44 -4.531 -5.260 -10.674 803 1HB LEU 44 2HB LEU 44 -5.111 -3.313 -9.457 804 2HB LEU 44 1HB LEU 44 -6.463 -4.414 -9.321 805 HG LEU 44 HG LEU 44 -5.901 -3.204 -7.229 806 1HD1 LEU 44 1HD1 LEU 44 -6.485 -4.909 -5.893 807 2HD1 LEU 44 2HD1 LEU 44 -5.526 -6.098 -6.776 808 3HD1 LEU 44 3HD1 LEU 44 -7.027 -5.483 -7.461 809 1HD2 LEU 44 1HD2 LEU 44 -3.939 -3.345 -6.180 810 2HD2 LEU 44 2HD2 LEU 44 -3.353 -3.674 -7.791 811 3HD2 LEU 44 3HD2 LEU 44 -3.673 -5.008 -6.676 812 H LEU 45 H LEU 45 -3.671 -6.966 -7.862 813 HA LEU 45 HA LEU 45 -1.101 -5.823 -7.373 814 1HB LEU 45 2HB LEU 45 -1.863 -7.232 -5.633 815 2HB LEU 45 1HB LEU 45 -2.442 -8.451 -6.757 816 HG LEU 45 HG LEU 45 -0.139 -9.048 -7.342 817 1HD1 LEU 45 1HD1 LEU 45 0.869 -6.823 -7.015 818 2HD1 LEU 45 2HD1 LEU 45 1.740 -8.057 -6.115 819 3HD1 LEU 45 3HD1 LEU 45 0.629 -6.975 -5.276 820 1HD2 LEU 45 1HD2 LEU 45 0.286 -9.225 -4.488 821 2HD2 LEU 45 2HD2 LEU 45 -0.157 -10.493 -5.627 822 3HD2 LEU 45 3HD2 LEU 45 -1.410 -9.522 -4.864 823 H ALA 46 H ALA 46 -2.556 -8.237 -9.386 824 HA ALA 46 HA ALA 46 -0.220 -9.302 -10.587 825 1HB ALA 46 1HB ALA 46 -3.104 -9.557 -10.890 826 2HB ALA 46 2HB ALA 46 -1.838 -10.684 -11.382 827 3HB ALA 46 3HB ALA 46 -2.340 -9.394 -12.471 828 H GLU 47 H GLU 47 -2.465 -6.703 -11.336 829 HA GLU 47 HA GLU 47 -1.359 -5.796 -13.754 830 1HB GLU 47 2HB GLU 47 -2.899 -4.324 -11.599 831 2HB GLU 47 1HB GLU 47 -2.474 -3.623 -13.152 832 1HG GLU 47 2HG GLU 47 -4.209 -6.049 -12.694 833 2HG GLU 47 1HG GLU 47 -4.759 -4.451 -13.164 834 H ALA 48 H ALA 48 -0.609 -5.238 -10.380 835 HA ALA 48 HA ALA 48 1.115 -2.994 -10.759 836 1HB ALA 48 1HB ALA 48 1.831 -4.190 -8.411 837 2HB ALA 48 2HB ALA 48 0.188 -4.792 -8.640 838 3HB ALA 48 3HB ALA 48 0.495 -3.055 -8.596 839 H LYS 49 H LYS 49 1.616 -6.396 -10.041 840 HA LYS 49 HA LYS 49 4.450 -6.354 -10.142 841 1HB LYS 49 2HB LYS 49 2.349 -8.481 -10.442 842 2HB LYS 49 1HB LYS 49 4.061 -8.871 -10.600 843 1HG LYS 49 2HG LYS 49 4.385 -7.797 -8.329 844 2HG LYS 49 1HG LYS 49 2.626 -7.730 -8.200 845 1HD LYS 49 2HD LYS 49 4.203 -10.271 -8.724 846 2HD LYS 49 1HD LYS 49 3.630 -9.777 -7.139 847 1HE LYS 49 2HE LYS 49 1.346 -9.577 -8.696 848 2HE LYS 49 1HE LYS 49 2.150 -10.998 -9.357 849 1HZ LYS 49 1HZ LYS 49 1.803 -10.620 -6.446 850 2HZ LYS 49 2HZ LYS 49 2.141 -12.053 -7.294 851 3HZ LYS 49 3HZ LYS 49 0.600 -11.344 -7.399 852 H LYS 50 H LYS 50 1.913 -6.567 -12.489 853 HA LYS 50 HA LYS 50 3.492 -7.227 -14.781 854 1HB LYS 50 2HB LYS 50 1.038 -7.569 -14.614 855 2HB LYS 50 1HB LYS 50 0.840 -5.822 -14.614 856 1HG LYS 50 2HG LYS 50 1.846 -5.670 -16.838 857 2HG LYS 50 1HG LYS 50 2.175 -7.404 -16.829 858 1HD LYS 50 2HD LYS 50 0.162 -7.158 -18.085 859 2HD LYS 50 1HD LYS 50 -0.334 -7.742 -16.497 860 1HE LYS 50 2HE LYS 50 -1.774 -5.877 -17.292 861 2HE LYS 50 1HE LYS 50 -0.922 -5.465 -15.808 862 1HZ LYS 50 1HZ LYS 50 -0.939 -3.820 -17.793 863 2HZ LYS 50 2HZ LYS 50 0.299 -4.814 -18.400 864 3HZ LYS 50 3HZ LYS 50 0.484 -4.042 -16.897 865 H LEU 51 H LEU 51 2.293 -4.245 -13.289 866 HA LEU 51 HA LEU 51 3.310 -2.496 -15.306 867 1HB LEU 51 2HB LEU 51 1.986 -2.225 -12.714 868 2HB LEU 51 1HB LEU 51 3.269 -1.035 -12.927 869 HG LEU 51 HG LEU 51 1.000 -0.342 -13.798 870 1HD1 LEU 51 1HD1 LEU 51 2.675 1.013 -14.604 871 2HD1 LEU 51 2HD1 LEU 51 2.150 0.284 -16.126 872 3HD1 LEU 51 3HD1 LEU 51 3.584 -0.340 -15.301 873 1HD2 LEU 51 1HD2 LEU 51 1.054 -2.870 -14.970 874 2HD2 LEU 51 2HD2 LEU 51 1.418 -1.797 -16.322 875 3HD2 LEU 51 3HD2 LEU 51 -0.067 -1.573 -15.392 876 H ASN 52 H ASN 52 4.471 -3.783 -12.318 877 HA ASN 52 HA ASN 52 6.911 -2.410 -12.106 878 1HB ASN 52 2HB ASN 52 6.321 -3.645 -10.222 879 2HB ASN 52 1HB ASN 52 5.782 -5.022 -11.162 880 1HD2 ASN 52 1HD2 ASN 52 8.502 -3.509 -9.681 881 2HD2 ASN 52 2HD2 ASN 52 9.619 -4.746 -9.975 882 H ASP 53 H ASP 53 5.804 -5.332 -13.630 883 HA ASP 53 HA ASP 53 8.291 -6.119 -14.800 884 1HB ASP 53 2HB ASP 53 6.280 -7.622 -14.540 885 2HB ASP 53 1HB ASP 53 5.533 -6.743 -15.872 886 H ALA 54 H ALA 54 5.654 -4.045 -15.795 887 HA ALA 54 HA ALA 54 6.386 -3.667 -18.495 888 1HB ALA 54 1HB ALA 54 5.004 -1.571 -16.856 889 2HB ALA 54 2HB ALA 54 4.194 -3.092 -17.232 890 3HB ALA 54 3HB ALA 54 4.728 -2.031 -18.536 891 H GLN 55 H GLN 55 7.240 -1.997 -15.494 892 HA GLN 55 HA GLN 55 8.932 -0.083 -16.910 893 1HB GLN 55 2HB GLN 55 8.256 -0.465 -14.033 894 2HB GLN 55 1HB GLN 55 9.284 0.820 -14.629 895 1HG GLN 55 2HG GLN 55 7.522 1.929 -15.646 896 2HG GLN 55 1HG GLN 55 6.591 0.449 -15.875 897 1HE2 GLN 55 1HE2 GLN 55 6.151 -0.648 -13.534 898 2HE2 GLN 55 2HE2 GLN 55 5.492 0.430 -12.398 899 H ALA 56 H ALA 56 9.255 -3.208 -15.838 900 HA ALA 56 HA ALA 56 11.785 -3.163 -14.550 901 1HB ALA 56 1HB ALA 56 10.438 -5.380 -16.096 902 2HB ALA 56 2HB ALA 56 10.361 -5.118 -14.357 903 3HB ALA 56 3HB ALA 56 11.885 -5.578 -15.113 904 HA PRO 57 HA PRO 57 14.574 -2.845 -17.899 905 1HB PRO 57 2HB PRO 57 16.599 -4.458 -16.622 906 2HB PRO 57 1HB PRO 57 16.428 -2.699 -16.589 907 1HG PRO 57 2HG PRO 57 16.114 -4.315 -14.413 908 2HG PRO 57 1HG PRO 57 15.385 -2.712 -14.585 909 1HD PRO 57 2HD PRO 57 14.142 -5.406 -15.070 910 2HD PRO 57 1HD PRO 57 13.474 -3.988 -14.224 911 H LYS 58 H LYS 58 12.738 -4.989 -18.284 912 HA LYS 58 HA LYS 58 13.955 -7.433 -19.003 913 1HB LYS 58 2HB LYS 58 11.670 -6.711 -20.671 914 2HB LYS 58 1HB LYS 58 11.917 -8.118 -19.663 915 1HG LYS 58 2HG LYS 58 10.226 -7.142 -18.453 916 2HG LYS 58 1HG LYS 58 11.577 -6.289 -17.716 917 1HD LYS 58 2HD LYS 58 10.245 -4.480 -18.292 918 2HD LYS 58 1HD LYS 58 11.194 -4.622 -19.767 919 1HE LYS 58 2HE LYS 58 9.438 -5.747 -20.916 920 2HE LYS 58 1HE LYS 58 8.559 -6.069 -19.422 921 1HZ LYS 58 1HZ LYS 58 8.472 -3.548 -19.199 922 2HZ LYS 58 2HZ LYS 58 7.458 -4.270 -20.354 923 3HZ LYS 58 3HZ LYS 58 8.894 -3.503 -20.841 Start of MODEL 36 1 1H VAL 1 1HT VAL 1 12.588 -10.598 7.675 2 2H VAL 1 2HT VAL 1 13.678 -11.790 7.152 3 3H VAL 1 3HT VAL 1 13.848 -11.097 8.694 4 HA VAL 1 HA VAL 1 12.894 -13.309 8.840 5 HB VAL 1 HB VAL 1 10.897 -12.672 10.187 6 1HG1 VAL 1 1HG1 VAL 1 12.066 -11.300 11.786 7 2HG1 VAL 1 2HG1 VAL 1 13.137 -10.660 10.540 8 3HG1 VAL 1 3HG1 VAL 1 13.259 -12.351 11.024 9 1HG2 VAL 1 1HG2 VAL 1 10.040 -10.915 8.614 10 2HG2 VAL 1 2HG2 VAL 1 11.383 -9.876 9.088 11 3HG2 VAL 1 3HG2 VAL 1 10.163 -10.338 10.273 12 H ASP 2 H ASP 2 9.883 -13.284 8.852 13 HA ASP 2 HA ASP 2 9.480 -14.480 6.284 14 1HB ASP 2 2HB ASP 2 7.269 -14.974 7.069 15 2HB ASP 2 1HB ASP 2 8.358 -15.178 8.438 16 H ASN 3 H ASN 3 6.905 -13.686 5.604 17 HA ASN 3 HA ASN 3 7.445 -11.237 4.167 18 1HB ASN 3 2HB ASN 3 4.973 -12.985 4.249 19 2HB ASN 3 1HB ASN 3 5.248 -11.658 3.122 20 1HD2 ASN 3 1HD2 ASN 3 5.209 -14.865 3.005 21 2HD2 ASN 3 2HD2 ASN 3 6.524 -15.180 1.980 22 H LYS 4 H LYS 4 6.770 -11.464 7.269 23 HA LYS 4 HA LYS 4 4.394 -10.069 7.762 24 1HB LYS 4 2HB LYS 4 5.667 -11.117 9.566 25 2HB LYS 4 1HB LYS 4 7.001 -9.993 9.316 26 1HG LYS 4 2HG LYS 4 5.765 -9.135 11.172 27 2HG LYS 4 1HG LYS 4 5.320 -8.117 9.808 28 1HD LYS 4 2HD LYS 4 3.539 -10.355 9.825 29 2HD LYS 4 1HD LYS 4 3.614 -9.728 11.468 30 1HE LYS 4 2HE LYS 4 3.021 -8.079 8.988 31 2HE LYS 4 1HE LYS 4 1.832 -8.607 10.174 32 1HZ LYS 4 1HZ LYS 4 4.171 -6.869 10.755 33 2HZ LYS 4 2HZ LYS 4 2.977 -7.345 11.865 34 3HZ LYS 4 3HZ LYS 4 2.575 -6.327 10.566 35 H PHE 5 H PHE 5 7.649 -8.854 7.018 36 HA PHE 5 HA PHE 5 7.106 -6.132 7.392 37 1HB PHE 5 2HB PHE 5 9.179 -5.703 6.438 38 2HB PHE 5 1HB PHE 5 9.383 -7.356 7.007 39 HD1 PHE 5 1HD PHE 5 9.039 -9.271 5.355 40 HD2 PHE 5 2HD PHE 5 9.361 -5.164 4.126 41 HE1 PHE 5 1HE PHE 5 9.545 -10.006 3.043 42 HE2 PHE 5 2HE PHE 5 9.867 -5.901 1.813 43 HZ PHE 5 HZ PHE 5 9.960 -8.321 1.272 44 H ASN 6 H ASN 6 6.709 -8.256 4.571 45 HA ASN 6 HA ASN 6 5.951 -6.240 2.717 46 1HB ASN 6 2HB ASN 6 6.660 -8.510 2.065 47 2HB ASN 6 1HB ASN 6 5.215 -9.166 2.815 48 1HD2 ASN 6 1HD2 ASN 6 4.438 -10.013 0.760 49 2HD2 ASN 6 2HD2 ASN 6 3.844 -8.980 -0.457 50 H LYS 7 H LYS 7 4.133 -8.425 4.845 51 HA LYS 7 HA LYS 7 1.556 -7.592 4.064 52 1HB LYS 7 2HB LYS 7 2.169 -9.663 5.425 53 2HB LYS 7 1HB LYS 7 2.334 -8.592 6.814 54 1HG LYS 7 2HG LYS 7 0.025 -7.922 6.672 55 2HG LYS 7 1HG LYS 7 -0.173 -8.736 5.120 56 1HD LYS 7 2HD LYS 7 0.791 -10.478 7.313 57 2HD LYS 7 1HD LYS 7 -0.840 -9.845 7.535 58 1HE LYS 7 2HE LYS 7 -1.379 -10.634 5.191 59 2HE LYS 7 1HE LYS 7 0.201 -11.418 5.165 60 1HZ LYS 7 1HZ LYS 7 -1.824 -11.922 7.268 61 2HZ LYS 7 2HZ LYS 7 -0.402 -12.801 6.962 62 3HZ LYS 7 3HZ LYS 7 -1.695 -12.861 5.861 63 H GLU 8 H GLU 8 3.840 -6.521 6.537 64 HA GLU 8 HA GLU 8 2.106 -4.548 7.617 65 1HB GLU 8 2HB GLU 8 3.940 -5.483 8.931 66 2HB GLU 8 1HB GLU 8 5.112 -4.773 7.822 67 1HG GLU 8 2HG GLU 8 4.816 -3.370 9.849 68 2HG GLU 8 1HG GLU 8 4.308 -2.514 8.398 69 H LEU 9 H LEU 9 4.568 -4.549 5.165 70 HA LEU 9 HA LEU 9 4.750 -1.754 4.641 71 1HB LEU 9 2HB LEU 9 6.393 -3.294 3.733 72 2HB LEU 9 1HB LEU 9 5.146 -4.203 2.888 73 HG LEU 9 HG LEU 9 4.627 -2.008 1.642 74 1HD1 LEU 9 1HD1 LEU 9 6.590 -0.974 3.397 75 2HD1 LEU 9 2HD1 LEU 9 5.859 -0.195 1.987 76 3HD1 LEU 9 3HD1 LEU 9 7.349 -1.072 1.800 77 1HD2 LEU 9 1HD2 LEU 9 5.726 -3.879 0.591 78 2HD2 LEU 9 2HD2 LEU 9 7.272 -3.405 1.283 79 3HD2 LEU 9 3HD2 LEU 9 6.491 -2.379 0.079 80 H GLY 10 H GLY 10 2.617 -4.324 3.497 81 1HA GLY 10 2HA GLY 10 1.118 -2.622 1.788 82 2HA GLY 10 1HA GLY 10 0.707 -4.260 2.271 83 H TRP 11 H TRP 11 0.811 -3.916 5.075 84 HA TRP 11 HA TRP 11 -1.766 -2.920 5.379 85 1HB TRP 11 2HB TRP 11 -0.461 -4.690 6.840 86 2HB TRP 11 1HB TRP 11 -0.229 -3.256 7.845 87 HD1 TRP 11 HD TRP 11 -1.954 -3.837 9.670 88 HE1 TRP 11 1HE TRP 11 -4.525 -4.008 9.726 89 HE3 TRP 11 3HE TRP 11 -3.065 -3.727 4.647 90 HZ2 TRP 11 2HZ TRP 11 -6.736 -4.011 7.937 91 HZ3 TRP 11 3HZ TRP 11 -5.356 -3.771 3.865 92 HH2 TRP 11 HH TRP 11 -7.229 -3.925 5.504 93 H ALA 12 H ALA 12 1.272 -1.628 6.531 94 HA ALA 12 HA ALA 12 0.131 0.584 7.764 95 1HB ALA 12 1HB ALA 12 2.826 -0.077 6.663 96 2HB ALA 12 2HB ALA 12 2.371 0.389 8.298 97 3HB ALA 12 3HB ALA 12 2.495 1.614 7.033 98 H THR 13 H THR 13 1.072 -0.064 4.416 99 HA THR 13 HA THR 13 0.679 2.447 3.221 100 HB THR 13 HB THR 13 0.452 -0.395 2.334 101 HG1 THR 13 1HG THR 13 2.444 0.742 2.638 102 1HG2 THR 13 1HG2 THR 13 0.191 0.516 -0.005 103 2HG2 THR 13 2HG2 THR 13 -0.261 2.058 0.722 104 3HG2 THR 13 3HG2 THR 13 -1.257 0.622 0.997 105 H TRP 14 H TRP 14 -1.576 -0.211 3.782 106 HA TRP 14 HA TRP 14 -3.900 0.928 2.681 107 1HB TRP 14 2HB TRP 14 -3.393 -1.458 3.429 108 2HB TRP 14 1HB TRP 14 -3.788 -0.922 5.045 109 HD1 TRP 14 HD TRP 14 -6.203 -1.030 5.713 110 HE1 TRP 14 1HE TRP 14 -8.418 -1.504 4.531 111 HE3 TRP 14 3HE TRP 14 -4.686 -0.725 0.822 112 HZ2 TRP 14 2HZ TRP 14 -9.417 -1.722 1.900 113 HZ3 TRP 14 3HZ TRP 14 -6.312 -1.055 -0.954 114 HH2 TRP 14 HH TRP 14 -8.641 -1.563 -0.430 115 H GLU 15 H GLU 15 -2.708 0.852 6.017 116 HA GLU 15 HA GLU 15 -4.909 2.158 7.187 117 1HB GLU 15 2HB GLU 15 -2.016 1.939 8.058 118 2HB GLU 15 1HB GLU 15 -3.327 2.521 9.089 119 1HG GLU 15 2HG GLU 15 -4.460 0.398 8.998 120 2HG GLU 15 1HG GLU 15 -3.413 -0.189 7.710 121 H ILE 16 H ILE 16 -1.880 3.361 5.818 122 HA ILE 16 HA ILE 16 -2.297 6.138 6.453 123 HB ILE 16 HB ILE 16 -0.643 4.780 4.265 124 1HG1 ILE 16 2HG1 ILE 16 0.325 5.971 6.863 125 2HG1 ILE 16 1HG1 ILE 16 -0.048 4.277 6.699 126 1HG2 ILE 16 1HG2 ILE 16 -1.166 7.601 4.832 127 2HG2 ILE 16 2HG2 ILE 16 -0.383 6.859 3.438 128 3HG2 ILE 16 3HG2 ILE 16 0.553 7.211 4.885 129 1HD1 ILE 16 1HD1 ILE 16 1.855 3.859 5.516 130 2HD1 ILE 16 2HD1 ILE 16 2.417 5.386 6.190 131 3HD1 ILE 16 3HD1 ILE 16 1.709 5.344 4.568 132 H PHE 17 H PHE 17 -3.022 3.975 3.791 133 HA PHE 17 HA PHE 17 -4.041 5.786 1.871 134 1HB PHE 17 2HB PHE 17 -3.421 3.193 1.832 135 2HB PHE 17 1HB PHE 17 -5.125 3.008 2.160 136 HD1 PHE 17 1HD PHE 17 -6.766 3.500 0.478 137 HD2 PHE 17 2HD PHE 17 -2.606 4.252 -0.234 138 HE1 PHE 17 1HE PHE 17 -7.222 3.704 -1.954 139 HE2 PHE 17 2HE PHE 17 -3.045 4.466 -2.653 140 HZ PHE 17 HZ PHE 17 -5.355 4.181 -3.510 141 H ASN 18 H ASN 18 -5.483 3.991 4.532 142 HA ASN 18 HA ASN 18 -8.179 4.913 3.941 143 1HB ASN 18 2HB ASN 18 -7.095 3.142 6.142 144 2HB ASN 18 1HB ASN 18 -8.799 3.491 5.879 145 1HD2 ASN 18 1HD2 ASN 18 -6.988 3.199 2.924 146 2HD2 ASN 18 2HD2 ASN 18 -7.467 1.616 2.554 147 H LEU 19 H LEU 19 -5.653 6.460 5.442 148 HA LEU 19 HA LEU 19 -6.906 7.252 7.853 149 1HB LEU 19 2HB LEU 19 -4.499 8.068 6.383 150 2HB LEU 19 1HB LEU 19 -5.212 9.333 7.375 151 HG LEU 19 HG LEU 19 -4.439 6.555 8.343 152 1HD1 LEU 19 1HD1 LEU 19 -3.119 8.583 9.739 153 2HD1 LEU 19 2HD1 LEU 19 -3.017 9.032 8.053 154 3HD1 LEU 19 3HD1 LEU 19 -2.417 7.462 8.584 155 1HD2 LEU 19 1HD2 LEU 19 -6.270 8.425 9.451 156 2HD2 LEU 19 2HD2 LEU 19 -4.809 8.509 10.426 157 3HD2 LEU 19 3HD2 LEU 19 -5.640 6.965 10.197 158 HA PRO 20 HA PRO 20 -9.820 9.987 5.933 159 1HB PRO 20 2HB PRO 20 -10.644 10.953 8.532 160 2HB PRO 20 1HB PRO 20 -11.451 9.774 7.487 161 1HG PRO 20 2HG PRO 20 -10.325 9.184 9.891 162 2HG PRO 20 1HG PRO 20 -10.522 8.012 8.575 163 1HD PRO 20 2HD PRO 20 -8.081 9.579 9.350 164 2HD PRO 20 1HD PRO 20 -8.220 7.872 8.900 165 H ASN 21 H ASN 21 -6.934 11.226 6.909 166 HA ASN 21 HA ASN 21 -7.987 13.977 6.495 167 1HB ASN 21 2HB ASN 21 -6.264 13.230 8.849 168 2HB ASN 21 1HB ASN 21 -6.672 14.869 8.379 169 1HD2 ASN 21 1HD2 ASN 21 -7.872 11.994 9.963 170 2HD2 ASN 21 2HD2 ASN 21 -9.384 12.633 10.393 171 H LEU 22 H LEU 22 -5.668 11.724 5.697 172 HA LEU 22 HA LEU 22 -3.486 13.576 5.256 173 1HB LEU 22 2HB LEU 22 -3.906 10.766 4.238 174 2HB LEU 22 1HB LEU 22 -2.407 11.691 4.115 175 HG LEU 22 HG LEU 22 -3.793 10.919 6.700 176 1HD1 LEU 22 1HD1 LEU 22 -1.453 9.712 6.854 177 2HD1 LEU 22 2HD1 LEU 22 -1.548 9.774 5.097 178 3HD1 LEU 22 3HD1 LEU 22 -2.808 8.959 6.018 179 1HD2 LEU 22 1HD2 LEU 22 -1.390 11.658 7.502 180 2HD2 LEU 22 2HD2 LEU 22 -2.649 12.870 7.270 181 3HD2 LEU 22 3HD2 LEU 22 -1.413 12.618 6.028 182 H ASN 23 H ASN 23 -2.667 14.264 3.251 183 HA ASN 23 HA ASN 23 -4.759 14.570 1.217 184 1HB ASN 23 2HB ASN 23 -3.800 16.555 0.681 185 2HB ASN 23 1HB ASN 23 -3.057 16.414 2.266 186 1HD2 ASN 23 1HD2 ASN 23 -2.426 16.645 -1.098 187 2HD2 ASN 23 2HD2 ASN 23 -0.756 16.373 -1.031 188 H GLY 24 H GLY 24 -4.172 14.242 -1.054 189 1HA GLY 24 2HA GLY 24 -3.396 11.704 -1.666 190 2HA GLY 24 1HA GLY 24 -3.258 13.039 -2.800 191 H VAL 25 H VAL 25 -1.231 14.536 -1.539 192 HA VAL 25 HA VAL 25 1.074 13.120 -2.435 193 HB VAL 25 HB VAL 25 0.845 15.714 -0.914 194 1HG1 VAL 25 1HG1 VAL 25 3.081 15.010 -0.583 195 2HG1 VAL 25 2HG1 VAL 25 3.179 16.009 -2.033 196 3HG1 VAL 25 3HG1 VAL 25 3.165 14.249 -2.173 197 1HG2 VAL 25 1HG2 VAL 25 0.993 14.924 -3.833 198 2HG2 VAL 25 2HG2 VAL 25 1.411 16.554 -3.294 199 3HG2 VAL 25 3HG2 VAL 25 -0.220 15.934 -3.042 200 H GLN 26 H GLN 26 -0.054 14.013 0.870 201 HA GLN 26 HA GLN 26 2.212 13.000 2.180 202 1HB GLN 26 2HB GLN 26 -0.519 13.784 2.952 203 2HB GLN 26 1HB GLN 26 0.263 12.624 4.026 204 1HG GLN 26 2HG GLN 26 1.917 14.100 4.668 205 2HG GLN 26 1HG GLN 26 1.921 14.936 3.111 206 1HE2 GLN 26 1HE2 GLN 26 -0.229 14.422 5.914 207 2HE2 GLN 26 2HE2 GLN 26 -0.875 15.989 5.901 208 H VAL 27 H VAL 27 -0.849 11.441 1.292 209 HA VAL 27 HA VAL 27 -0.262 8.920 2.466 210 HB VAL 27 HB VAL 27 -1.979 9.515 0.032 211 1HG1 VAL 27 1HG1 VAL 27 -3.100 7.367 0.745 212 2HG1 VAL 27 2HG1 VAL 27 -1.778 7.125 1.891 213 3HG1 VAL 27 3HG1 VAL 27 -1.451 7.149 0.157 214 1HG2 VAL 27 1HG2 VAL 27 -3.846 9.520 1.638 215 2HG2 VAL 27 2HG2 VAL 27 -2.670 10.755 2.079 216 3HG2 VAL 27 3HG2 VAL 27 -2.724 9.234 2.967 217 H LYS 28 H LYS 28 0.249 10.246 -0.766 218 HA LYS 28 HA LYS 28 1.470 7.982 -1.932 219 1HB LYS 28 2HB LYS 28 1.531 10.940 -2.578 220 2HB LYS 28 1HB LYS 28 2.482 9.773 -3.501 221 1HG LYS 28 2HG LYS 28 0.522 8.575 -4.190 222 2HG LYS 28 1HG LYS 28 -0.496 9.445 -3.049 223 1HD LYS 28 2HD LYS 28 -0.809 10.331 -5.325 224 2HD LYS 28 1HD LYS 28 -0.084 11.553 -4.286 225 1HE LYS 28 2HE LYS 28 0.957 11.291 -6.609 226 2HE LYS 28 1HE LYS 28 2.079 11.232 -5.252 227 1HZ LYS 28 1HZ LYS 28 2.487 9.048 -5.565 228 2HZ LYS 28 2HZ LYS 28 2.034 9.407 -7.162 229 3HZ LYS 28 3HZ LYS 28 0.916 8.700 -6.097 230 H ALA 29 H ALA 29 2.712 10.602 0.030 231 HA ALA 29 HA ALA 29 5.473 10.100 -0.405 232 1HB ALA 29 1HB ALA 29 5.853 11.613 1.400 233 2HB ALA 29 2HB ALA 29 4.200 11.412 1.977 234 3HB ALA 29 3HB ALA 29 4.509 12.246 0.452 235 H PHE 30 H PHE 30 3.162 9.193 2.097 236 HA PHE 30 HA PHE 30 5.000 7.846 3.715 237 1HB PHE 30 2HB PHE 30 2.018 7.469 3.407 238 2HB PHE 30 1HB PHE 30 3.001 6.784 4.698 239 HD1 PHE 30 1HD PHE 30 4.833 8.921 5.468 240 HD2 PHE 30 2HD PHE 30 0.667 9.192 4.354 241 HE1 PHE 30 1HE PHE 30 4.608 11.015 6.743 242 HE2 PHE 30 2HE PHE 30 0.475 11.274 5.655 243 HZ PHE 30 HZ PHE 30 2.438 12.179 6.835 244 H ILE 31 H ILE 31 3.018 6.990 0.941 245 HA ILE 31 HA ILE 31 3.630 4.225 0.942 246 HB ILE 31 HB ILE 31 2.630 6.123 -1.163 247 1HG1 ILE 31 2HG1 ILE 31 1.523 3.543 0.006 248 2HG1 ILE 31 1HG1 ILE 31 1.082 5.160 0.543 249 1HG2 ILE 31 1HG2 ILE 31 3.998 4.798 -2.570 250 2HG2 ILE 31 2HG2 ILE 31 2.463 3.937 -2.614 251 3HG2 ILE 31 3HG2 ILE 31 3.771 3.348 -1.596 252 1HD1 ILE 31 1HD1 ILE 31 0.138 5.678 -1.635 253 2HD1 ILE 31 2HD1 ILE 31 -0.562 4.165 -1.056 254 3HD1 ILE 31 3HD1 ILE 31 0.703 4.138 -2.283 255 H ASP 32 H ASP 32 4.999 7.014 -0.721 256 HA ASP 32 HA ASP 32 6.992 5.693 -2.129 257 1HB ASP 32 2HB ASP 32 6.317 8.091 -2.426 258 2HB ASP 32 1HB ASP 32 7.218 8.470 -0.960 259 H SER 33 H SER 33 7.026 6.989 1.102 260 HA SER 33 HA SER 33 9.746 6.423 1.714 261 1HB SER 33 2HB SER 33 7.321 6.786 3.501 262 2HB SER 33 1HB SER 33 8.996 6.732 4.062 263 HG SER 33 HG SER 33 7.961 8.547 2.138 264 H LEU 34 H LEU 34 6.732 4.688 1.983 265 HA LEU 34 HA LEU 34 7.516 2.385 3.472 266 1HB LEU 34 2HB LEU 34 5.306 3.302 1.758 267 2HB LEU 34 1HB LEU 34 5.571 1.590 1.728 268 HG LEU 34 HG LEU 34 5.651 2.643 4.417 269 1HD1 LEU 34 1HD1 LEU 34 3.949 4.147 4.104 270 2HD1 LEU 34 2HD1 LEU 34 2.962 2.692 4.199 271 3HD1 LEU 34 3HD1 LEU 34 3.398 3.356 2.632 272 1HD2 LEU 34 1HD2 LEU 34 5.469 0.341 4.114 273 2HD2 LEU 34 2HD2 LEU 34 4.243 0.492 2.876 274 3HD2 LEU 34 3HD2 LEU 34 3.840 0.810 4.565 275 H ARG 35 H ARG 35 7.205 2.899 -0.032 276 HA ARG 35 HA ARG 35 8.297 0.386 -0.812 277 1HB ARG 35 2HB ARG 35 8.927 2.461 -2.750 278 2HB ARG 35 1HB ARG 35 7.848 1.080 -2.907 279 1HG ARG 35 2HG ARG 35 6.144 2.397 -1.595 280 2HG ARG 35 1HG ARG 35 7.224 3.770 -1.723 281 1HD ARG 35 2HD ARG 35 5.267 2.855 -3.595 282 2HD ARG 35 1HD ARG 35 6.267 4.297 -3.662 283 HE ARG 35 HE ARG 35 7.803 3.128 -4.997 284 1HH1 ARG 35 1HH1 ARG 35 5.889 0.778 -3.514 285 2HH1 ARG 35 2HH1 ARG 35 5.838 -0.291 -4.883 286 1HH2 ARG 35 1HH2 ARG 35 7.422 1.952 -6.997 287 2HH2 ARG 35 2HH2 ARG 35 6.722 0.375 -6.851 288 H ASP 36 H ASP 36 9.747 3.587 -0.437 289 HA ASP 36 HA ASP 36 12.375 2.973 -1.214 290 1HB ASP 36 2HB ASP 36 11.438 5.270 -0.913 291 2HB ASP 36 1HB ASP 36 11.526 5.000 0.816 292 H ASP 37 H ASP 37 10.647 2.657 1.783 293 HA ASP 37 HA ASP 37 12.650 0.845 2.824 294 1HB ASP 37 2HB ASP 37 13.332 3.223 3.529 295 2HB ASP 37 1HB ASP 37 11.903 3.201 4.557 296 HA PRO 38 HA PRO 38 8.465 -0.483 3.792 297 1HB PRO 38 2HB PRO 38 9.475 -3.158 3.885 298 2HB PRO 38 1HB PRO 38 8.419 -2.417 2.694 299 1HG PRO 38 2HG PRO 38 11.041 -3.220 2.293 300 2HG PRO 38 1HG PRO 38 10.085 -2.179 1.229 301 1HD PRO 38 2HD PRO 38 12.245 -1.450 3.105 302 2HD PRO 38 1HD PRO 38 11.630 -0.576 1.684 303 H SER 39 H SER 39 11.462 -1.348 5.386 304 HA SER 39 HA SER 39 10.353 -2.519 7.713 305 1HB SER 39 2HB SER 39 12.933 -0.935 7.520 306 2HB SER 39 1HB SER 39 12.518 -2.140 8.734 307 HG SER 39 HG SER 39 12.886 -2.532 5.944 308 H GLN 40 H GLN 40 10.804 0.708 6.570 309 HA GLN 40 HA GLN 40 10.246 2.020 9.081 310 1HB GLN 40 2HB GLN 40 11.700 2.769 6.972 311 2HB GLN 40 1HB GLN 40 10.162 3.462 6.472 312 1HG GLN 40 2HG GLN 40 10.464 4.141 9.200 313 2HG GLN 40 1HG GLN 40 12.037 4.409 8.467 314 1HE2 GLN 40 1HE2 GLN 40 11.442 5.328 5.938 315 2HE2 GLN 40 2HE2 GLN 40 10.522 6.753 6.024 316 H SER 41 H SER 41 8.300 0.447 6.920 317 HA SER 41 HA SER 41 6.208 2.065 6.208 318 1HB SER 41 2HB SER 41 4.849 0.030 6.194 319 2HB SER 41 1HB SER 41 6.467 -0.324 5.604 320 HG SER 41 HG SER 41 5.756 -1.858 7.139 321 H ALA 42 H ALA 42 6.698 0.531 9.364 322 HA ALA 42 HA ALA 42 4.193 1.125 10.526 323 1HB ALA 42 1HB ALA 42 6.895 0.917 11.858 324 2HB ALA 42 2HB ALA 42 5.901 -0.477 11.413 325 3HB ALA 42 3HB ALA 42 5.321 0.670 12.623 326 H ASN 43 H ASN 43 7.238 2.782 10.325 327 HA ASN 43 HA ASN 43 6.705 4.906 12.078 328 1HB ASN 43 2HB ASN 43 8.673 4.210 9.976 329 2HB ASN 43 1HB ASN 43 8.624 5.886 10.535 330 1HD2 ASN 43 1HD2 ASN 43 9.899 2.797 11.219 331 2HD2 ASN 43 2HD2 ASN 43 10.400 3.093 12.814 332 H LEU 44 H LEU 44 6.231 4.385 8.697 333 HA LEU 44 HA LEU 44 5.560 7.061 7.951 334 1HB LEU 44 2HB LEU 44 5.104 4.390 6.586 335 2HB LEU 44 1HB LEU 44 5.054 5.986 5.808 336 HG LEU 44 HG LEU 44 7.437 5.075 7.410 337 1HD1 LEU 44 1HD1 LEU 44 8.444 4.799 5.033 338 2HD1 LEU 44 2HD1 LEU 44 6.769 4.472 4.583 339 3HD1 LEU 44 3HD1 LEU 44 7.570 3.482 5.805 340 1HD2 LEU 44 1HD2 LEU 44 8.491 6.840 5.993 341 2HD2 LEU 44 2HD2 LEU 44 7.287 7.390 7.159 342 3HD2 LEU 44 3HD2 LEU 44 6.865 7.250 5.454 343 H LEU 45 H LEU 45 3.990 4.194 8.867 344 HA LEU 45 HA LEU 45 1.286 5.034 8.492 345 1HB LEU 45 2HB LEU 45 1.641 2.693 8.728 346 2HB LEU 45 1HB LEU 45 2.630 2.902 10.167 347 HG LEU 45 HG LEU 45 0.663 3.651 11.435 348 1HD1 LEU 45 1HD1 LEU 45 -0.713 4.757 9.878 349 2HD1 LEU 45 2HD1 LEU 45 -1.604 3.276 10.225 350 3HD1 LEU 45 3HD1 LEU 45 -0.667 3.413 8.739 351 1HD2 LEU 45 1HD2 LEU 45 1.182 1.257 11.340 352 2HD2 LEU 45 2HD2 LEU 45 0.194 1.083 9.890 353 3HD2 LEU 45 3HD2 LEU 45 -0.561 1.504 11.428 354 H ALA 46 H ALA 46 3.679 5.188 11.004 355 HA ALA 46 HA ALA 46 2.124 6.297 13.072 356 1HB ALA 46 1HB ALA 46 4.524 5.268 13.131 357 2HB ALA 46 2HB ALA 46 4.155 6.618 14.203 358 3HB ALA 46 3HB ALA 46 5.036 6.900 12.697 359 H GLU 47 H GLU 47 4.219 7.626 10.622 360 HA GLU 47 HA GLU 47 4.014 10.344 11.272 361 1HB GLU 47 2HB GLU 47 4.694 8.746 8.840 362 2HB GLU 47 1HB GLU 47 4.566 10.499 8.727 363 1HG GLU 47 2HG GLU 47 6.432 8.909 10.493 364 2HG GLU 47 1HG GLU 47 6.868 9.880 9.092 365 H ALA 48 H ALA 48 2.176 8.170 9.246 366 HA ALA 48 HA ALA 48 0.554 10.131 8.033 367 1HB ALA 48 1HB ALA 48 0.406 7.166 8.454 368 2HB ALA 48 2HB ALA 48 0.775 8.051 6.973 369 3HB ALA 48 3HB ALA 48 -0.861 8.044 7.605 370 H LYS 49 H LYS 49 0.152 7.967 10.815 371 HA LYS 49 HA LYS 49 -2.456 8.804 11.528 372 1HB LYS 49 2HB LYS 49 -0.197 7.683 13.208 373 2HB LYS 49 1HB LYS 49 -1.831 7.948 13.814 374 1HG LYS 49 2HG LYS 49 -1.349 6.305 11.325 375 2HG LYS 49 1HG LYS 49 -1.234 5.578 12.925 376 1HD LYS 49 2HD LYS 49 -3.535 6.184 13.422 377 2HD LYS 49 1HD LYS 49 -3.660 7.106 11.925 378 1HE LYS 49 2HE LYS 49 -4.720 4.885 11.693 379 2HE LYS 49 1HE LYS 49 -3.337 5.044 10.612 380 1HZ LYS 49 1HZ LYS 49 -3.254 3.753 13.286 381 2HZ LYS 49 2HZ LYS 49 -1.984 3.828 12.159 382 3HZ LYS 49 3HZ LYS 49 -3.376 2.916 11.815 383 H LYS 50 H LYS 50 0.746 10.117 12.007 384 HA LYS 50 HA LYS 50 -0.038 12.067 13.929 385 1HB LYS 50 2HB LYS 50 2.279 11.146 13.703 386 2HB LYS 50 1HB LYS 50 2.412 12.001 12.171 387 1HG LYS 50 2HG LYS 50 2.068 14.151 13.314 388 2HG LYS 50 1HG LYS 50 1.868 13.311 14.853 389 1HD LYS 50 2HD LYS 50 4.137 13.983 14.873 390 2HD LYS 50 1HD LYS 50 4.197 12.290 14.379 391 1HE LYS 50 2HE LYS 50 4.234 13.057 11.982 392 2HE LYS 50 1HE LYS 50 4.364 14.716 12.564 393 1HZ LYS 50 1HZ LYS 50 6.547 14.011 12.181 394 2HZ LYS 50 2HZ LYS 50 6.290 12.497 12.909 395 3HZ LYS 50 3HZ LYS 50 6.353 13.902 13.864 396 H LEU 51 H LEU 51 0.527 12.001 10.477 397 HA LEU 51 HA LEU 51 0.070 14.767 10.068 398 1HB LEU 51 2HB LEU 51 0.427 12.383 8.333 399 2HB LEU 51 1HB LEU 51 -0.466 13.731 7.638 400 HG LEU 51 HG LEU 51 1.850 14.022 7.085 401 1HD1 LEU 51 1HD1 LEU 51 0.356 15.971 8.134 402 2HD1 LEU 51 2HD1 LEU 51 2.023 16.238 7.622 403 3HD1 LEU 51 3HD1 LEU 51 1.657 15.970 9.326 404 1HD2 LEU 51 1HD2 LEU 51 3.107 12.773 8.608 405 2HD2 LEU 51 2HD2 LEU 51 2.271 13.445 10.006 406 3HD2 LEU 51 3HD2 LEU 51 3.451 14.419 9.130 407 H ASN 52 H ASN 52 -1.876 11.873 9.832 408 HA ASN 52 HA ASN 52 -4.245 13.012 8.874 409 1HB ASN 52 2HB ASN 52 -3.833 10.610 8.916 410 2HB ASN 52 1HB ASN 52 -3.805 10.619 10.675 411 1HD2 ASN 52 1HD2 ASN 52 -5.861 10.921 11.797 412 2HD2 ASN 52 2HD2 ASN 52 -7.337 10.763 10.974 413 H ASP 53 H ASP 53 -3.017 12.355 12.139 414 HA ASP 53 HA ASP 53 -5.254 13.323 13.521 415 1HB ASP 53 2HB ASP 53 -3.634 11.935 14.653 416 2HB ASP 53 1HB ASP 53 -2.373 13.140 14.399 417 H ALA 54 H ALA 54 -2.266 14.854 12.468 418 HA ALA 54 HA ALA 54 -2.669 17.387 13.609 419 1HB ALA 54 1HB ALA 54 -0.495 16.856 12.785 420 2HB ALA 54 2HB ALA 54 -1.110 18.128 11.729 421 3HB ALA 54 3HB ALA 54 -1.125 16.448 11.191 422 H GLN 55 H GLN 55 -3.680 15.910 10.573 423 HA GLN 55 HA GLN 55 -5.003 18.341 9.643 424 1HB GLN 55 2HB GLN 55 -4.659 15.554 8.534 425 2HB GLN 55 1HB GLN 55 -5.653 16.781 7.737 426 1HG GLN 55 2HG GLN 55 -3.777 18.238 7.431 427 2HG GLN 55 1HG GLN 55 -2.767 17.281 8.514 428 1HE2 GLN 55 1HE2 GLN 55 -2.575 14.860 7.739 429 2HE2 GLN 55 2HE2 GLN 55 -2.308 14.648 6.077 430 H ALA 56 H ALA 56 -5.743 15.979 11.842 431 HA ALA 56 HA ALA 56 -8.586 15.748 11.169 432 1HB ALA 56 1HB ALA 56 -7.447 13.717 11.946 433 2HB ALA 56 2HB ALA 56 -8.680 14.207 13.102 434 3HB ALA 56 3HB ALA 56 -6.981 14.532 13.438 435 HA PRO 57 HA PRO 57 -9.872 18.760 14.088 436 1HB PRO 57 2HB PRO 57 -12.311 17.339 14.707 437 2HB PRO 57 1HB PRO 57 -12.077 18.652 13.545 438 1HG PRO 57 2HG PRO 57 -12.727 16.110 12.846 439 2HG PRO 57 1HG PRO 57 -11.829 17.222 11.795 440 1HD PRO 57 2HD PRO 57 -10.761 15.084 13.613 441 2HD PRO 57 1HD PRO 57 -10.342 15.415 11.912 442 H LYS 58 H LYS 58 -10.814 19.044 16.332 443 HA LYS 58 HA LYS 58 -10.330 16.882 18.220 444 1HB LYS 58 2HB LYS 58 -8.593 19.262 17.950 445 2HB LYS 58 1HB LYS 58 -8.947 18.704 19.575 446 1HG LYS 58 2HG LYS 58 -7.275 17.205 19.300 447 2HG LYS 58 1HG LYS 58 -8.331 16.357 18.173 448 1HD LYS 58 2HD LYS 58 -7.443 17.922 16.358 449 2HD LYS 58 1HD LYS 58 -6.231 18.445 17.527 450 1HE LYS 58 2HE LYS 58 -5.760 15.880 17.801 451 2HE LYS 58 1HE LYS 58 -6.574 15.744 16.242 452 1HZ LYS 58 1HZ LYS 58 -4.470 17.762 16.586 453 2HZ LYS 58 2HZ LYS 58 -4.955 16.933 15.183 454 3HZ LYS 58 3HZ LYS 58 -4.022 16.141 16.363 455 1H VAL 1 1HT VAL 1 -17.572 -3.736 -4.860 456 2H VAL 1 2HT VAL 1 -16.427 -4.989 -4.811 457 3H VAL 1 3HT VAL 1 -16.003 -3.428 -4.294 458 HA VAL 1 HA VAL 1 -17.563 -3.581 -2.453 459 HB VAL 1 HB VAL 1 -18.638 -5.766 -1.990 460 1HG1 VAL 1 1HG1 VAL 1 -20.370 -5.628 -3.675 461 2HG1 VAL 1 2HG1 VAL 1 -19.278 -4.828 -4.804 462 3HG1 VAL 1 3HG1 VAL 1 -19.805 -3.991 -3.343 463 1HG2 VAL 1 1HG2 VAL 1 -17.624 -6.578 -4.740 464 2HG2 VAL 1 2HG2 VAL 1 -18.606 -7.555 -3.651 465 3HG2 VAL 1 3HG2 VAL 1 -16.944 -7.159 -3.219 466 H ASP 2 H ASP 2 -17.191 -5.668 -0.685 467 HA ASP 2 HA ASP 2 -14.249 -5.921 -0.611 468 1HB ASP 2 2HB ASP 2 -15.707 -4.631 1.232 469 2HB ASP 2 1HB ASP 2 -15.821 -6.264 1.890 470 H ASN 3 H ASN 3 -13.593 -7.841 0.879 471 HA ASN 3 HA ASN 3 -15.288 -10.156 0.744 472 1HB ASN 3 2HB ASN 3 -14.193 -9.860 -1.565 473 2HB ASN 3 1HB ASN 3 -12.679 -10.274 -0.771 474 1HD2 ASN 3 1HD2 ASN 3 -12.837 -12.182 -2.371 475 2HD2 ASN 3 2HD2 ASN 3 -13.709 -13.549 -1.869 476 H LYS 4 H LYS 4 -13.950 -12.159 1.471 477 HA LYS 4 HA LYS 4 -12.833 -11.592 4.015 478 1HB LYS 4 2HB LYS 4 -12.270 -14.049 4.024 479 2HB LYS 4 1HB LYS 4 -13.964 -13.679 3.720 480 1HG LYS 4 2HG LYS 4 -13.892 -14.701 1.715 481 2HG LYS 4 1HG LYS 4 -12.531 -13.715 1.209 482 1HD LYS 4 2HD LYS 4 -12.165 -16.098 3.031 483 2HD LYS 4 1HD LYS 4 -12.174 -16.264 1.279 484 1HE LYS 4 2HE LYS 4 -9.926 -15.904 1.505 485 2HE LYS 4 1HE LYS 4 -10.411 -14.213 1.537 486 1HZ LYS 4 1HZ LYS 4 -10.166 -14.085 3.795 487 2HZ LYS 4 2HZ LYS 4 -8.929 -15.185 3.413 488 3HZ LYS 4 3HZ LYS 4 -10.405 -15.747 4.040 489 H PHE 5 H PHE 5 -11.486 -11.360 0.985 490 HA PHE 5 HA PHE 5 -8.854 -12.278 1.409 491 1HB PHE 5 2HB PHE 5 -10.200 -10.496 -0.598 492 2HB PHE 5 1HB PHE 5 -8.444 -10.664 -0.601 493 HD1 PHE 5 1HD PHE 5 -7.575 -12.344 -1.960 494 HD2 PHE 5 2HD PHE 5 -11.466 -12.838 -0.214 495 HE1 PHE 5 1HE PHE 5 -7.791 -14.543 -3.078 496 HE2 PHE 5 2HE PHE 5 -11.689 -15.040 -1.340 497 HZ PHE 5 HZ PHE 5 -9.843 -15.893 -2.764 498 H ASN 6 H ASN 6 -10.127 -10.150 3.352 499 HA ASN 6 HA ASN 6 -8.658 -7.760 3.193 500 1HB ASN 6 2HB ASN 6 -10.480 -8.136 4.823 501 2HB ASN 6 1HB ASN 6 -9.473 -9.297 5.681 502 1HD2 ASN 6 1HD2 ASN 6 -8.175 -6.284 4.288 503 2HD2 ASN 6 2HD2 ASN 6 -7.830 -5.560 5.781 504 H LYS 7 H LYS 7 -7.824 -10.833 4.761 505 HA LYS 7 HA LYS 7 -5.233 -10.114 5.658 506 1HB LYS 7 2HB LYS 7 -6.381 -12.098 6.498 507 2HB LYS 7 1HB LYS 7 -6.429 -12.795 4.881 508 1HG LYS 7 2HG LYS 7 -3.916 -12.801 4.867 509 2HG LYS 7 1HG LYS 7 -3.946 -12.253 6.544 510 1HD LYS 7 2HD LYS 7 -5.111 -14.263 7.244 511 2HD LYS 7 1HD LYS 7 -5.314 -14.782 5.572 512 1HE LYS 7 2HE LYS 7 -2.593 -14.350 6.829 513 2HE LYS 7 1HE LYS 7 -3.417 -15.908 6.845 514 1HZ LYS 7 1HZ LYS 7 -3.053 -14.429 4.317 515 2HZ LYS 7 2HZ LYS 7 -3.309 -16.091 4.556 516 3HZ LYS 7 3HZ LYS 7 -1.805 -15.398 4.935 517 H GLU 8 H GLU 8 -6.442 -11.637 2.726 518 HA GLU 8 HA GLU 8 -3.957 -12.074 1.436 519 1HB GLU 8 2HB GLU 8 -6.761 -11.758 0.285 520 2HB GLU 8 1HB GLU 8 -5.375 -12.451 -0.567 521 1HG GLU 8 2HG GLU 8 -6.795 -13.552 1.875 522 2HG GLU 8 1HG GLU 8 -6.660 -14.298 0.283 523 H ARG 9 H ARG 9 -6.187 -9.384 1.503 524 HA ARG 9 HA ARG 9 -5.239 -7.925 -0.705 525 1HB ARG 9 2HB ARG 9 -7.422 -7.614 0.559 526 2HB ARG 9 1HB ARG 9 -6.492 -6.793 1.809 527 1HG ARG 9 2HG ARG 9 -5.578 -5.383 -0.238 528 2HG ARG 9 1HG ARG 9 -7.060 -5.938 -1.011 529 1HD ARG 9 2HD ARG 9 -6.785 -4.279 1.499 530 2HD ARG 9 1HD ARG 9 -7.611 -3.861 0.005 531 HE ARG 9 HE ARG 9 -8.624 -6.144 1.534 532 1HH1 ARG 9 1HH2 ARG 9 -9.621 -3.783 -0.544 533 2HH1 ARG 9 2HH2 ARG 9 -10.972 -3.235 0.391 534 1HH2 ARG 9 1HH1 ARG 9 -10.085 -5.029 3.216 535 2HH2 ARG 9 2HH1 ARG 9 -11.236 -3.943 2.514 536 H VAL 10 H VAL 10 -4.464 -7.877 2.757 537 HA VAL 10 HA VAL 10 -2.828 -5.627 2.851 538 HB VAL 10 HB VAL 10 -2.425 -8.120 4.480 539 1HG1 VAL 10 1HG1 VAL 10 -1.883 -6.225 6.201 540 2HG1 VAL 10 2HG1 VAL 10 -1.596 -5.271 4.742 541 3HG1 VAL 10 3HG1 VAL 10 -0.678 -6.746 5.020 542 1HG2 VAL 10 1HG2 VAL 10 -4.753 -6.396 4.336 543 2HG2 VAL 10 2HG2 VAL 10 -4.009 -6.292 5.941 544 3HG2 VAL 10 3HG2 VAL 10 -4.508 -7.854 5.293 545 H ILE 11 H ILE 11 -2.035 -8.954 1.992 546 HA ILE 11 HA ILE 11 0.782 -8.535 1.854 547 HB ILE 11 HB ILE 11 -0.898 -10.643 0.475 548 1HG1 ILE 11 2HG1 ILE 11 -0.047 -10.191 3.295 549 2HG1 ILE 11 1HG1 ILE 11 -1.414 -11.106 2.667 550 1HG2 ILE 11 1HG2 ILE 11 2.032 -10.674 1.302 551 2HG2 ILE 11 2HG2 ILE 11 1.483 -10.330 -0.339 552 3HG2 ILE 11 3HG2 ILE 11 1.181 -11.911 0.376 553 1HD1 ILE 11 1HD1 ILE 11 1.454 -12.000 2.984 554 2HD1 ILE 11 2HD1 ILE 11 0.352 -12.844 1.891 555 3HD1 ILE 11 3HD1 ILE 11 -0.010 -12.760 3.613 556 H ALA 12 H ALA 12 -1.859 -8.339 -0.506 557 HA ALA 12 HA ALA 12 -0.230 -7.894 -2.806 558 1HB ALA 12 1HB ALA 12 -2.333 -6.974 -3.768 559 2HB ALA 12 2HB ALA 12 -3.077 -7.115 -2.177 560 3HB ALA 12 3HB ALA 12 -2.563 -8.564 -3.036 561 H ILE 13 H ILE 13 -1.870 -5.746 -0.506 562 HA ILE 13 HA ILE 13 -1.188 -3.300 -1.714 563 HB ILE 13 HB ILE 13 -1.406 -3.963 1.253 564 1HG1 ILE 13 2HG1 ILE 13 -3.510 -2.717 -0.514 565 2HG1 ILE 13 1HG1 ILE 13 -3.422 -4.445 -0.237 566 1HG2 ILE 13 1HG2 ILE 13 -2.037 -1.534 1.432 567 2HG2 ILE 13 2HG2 ILE 13 -1.509 -1.331 -0.241 568 3HG2 ILE 13 3HG2 ILE 13 -0.349 -1.805 0.994 569 1HD1 ILE 13 1HD1 ILE 13 -3.505 -3.979 2.216 570 2HD1 ILE 13 2HD1 ILE 13 -4.966 -3.503 1.354 571 3HD1 ILE 13 3HD1 ILE 13 -3.769 -2.293 1.813 572 H GLY 14 H GLY 14 0.485 -5.468 0.471 573 1HA GLY 14 2HA GLY 14 2.844 -3.914 0.847 574 2HA GLY 14 1HA GLY 14 2.677 -5.645 1.124 575 H GLU 15 H GLU 15 1.950 -6.469 -1.437 576 HA GLU 15 HA GLU 15 4.483 -6.767 -2.593 577 1HB GLU 15 2HB GLU 15 2.433 -8.285 -2.756 578 2HB GLU 15 1HB GLU 15 1.890 -7.222 -4.026 579 1HG GLU 15 2HG GLU 15 3.153 -9.197 -4.908 580 2HG GLU 15 1HG GLU 15 3.897 -7.668 -5.362 581 H ILE 16 H ILE 16 1.714 -4.680 -3.393 582 HA ILE 16 HA ILE 16 2.792 -3.643 -5.811 583 HB ILE 16 HB ILE 16 1.466 -1.753 -3.837 584 1HG1 ILE 16 2HG1 ILE 16 0.033 -3.776 -3.891 585 2HG1 ILE 16 1HG1 ILE 16 -0.748 -2.383 -4.589 586 1HG2 ILE 16 1HG2 ILE 16 1.368 -2.004 -6.854 587 2HG2 ILE 16 2HG2 ILE 16 2.298 -0.830 -5.932 588 3HG2 ILE 16 3HG2 ILE 16 0.541 -0.778 -5.902 589 1HD1 ILE 16 1HD1 ILE 16 -1.034 -4.471 -5.922 590 2HD1 ILE 16 2HD1 ILE 16 0.708 -4.468 -6.201 591 3HD1 ILE 16 3HD1 ILE 16 -0.287 -3.140 -6.809 592 H MET 17 H MET 17 3.052 -2.511 -2.511 593 HA MET 17 HA MET 17 4.820 -0.361 -2.824 594 1HB MET 17 2HB MET 17 4.432 -2.139 -0.437 595 2HB MET 17 1HB MET 17 5.046 -0.480 -0.448 596 1HG MET 17 2HG MET 17 2.332 -1.189 -1.563 597 2HG MET 17 1HG MET 17 2.556 -0.753 0.124 598 1HE MET 17 1HE MET 17 4.047 0.831 0.744 599 2HE MET 17 2HE MET 17 3.260 2.411 0.585 600 3HE MET 17 3HE MET 17 4.775 2.109 -0.265 601 H ARG 18 H ARG 18 5.422 -3.816 -2.401 602 HA ARG 18 HA ARG 18 8.201 -3.671 -1.878 603 1HB ARG 18 2HB ARG 18 6.411 -5.803 -2.888 604 2HB ARG 18 1HB ARG 18 8.146 -6.052 -2.797 605 1HG ARG 18 2HG ARG 18 7.646 -4.944 -0.347 606 2HG ARG 18 1HG ARG 18 6.159 -5.832 -0.627 607 1HD ARG 18 2HD ARG 18 8.881 -7.038 -0.989 608 2HD ARG 18 1HD ARG 18 7.992 -7.121 0.529 609 HE ARG 18 HE ARG 18 6.184 -8.084 -1.249 610 1HH1 ARG 18 1HH1 ARG 18 7.894 -9.774 0.708 611 2HH1 ARG 18 2HH1 ARG 18 8.490 -10.993 -0.368 612 1HH2 ARG 18 1HH2 ARG 18 7.646 -9.236 -3.235 613 2HH2 ARG 18 2HH2 ARG 18 8.350 -10.686 -2.605 614 H LEU 19 H LEU 19 6.323 -3.761 -4.860 615 HA LEU 19 HA LEU 19 8.421 -4.276 -6.667 616 1HB LEU 19 2HB LEU 19 5.947 -2.621 -7.123 617 2HB LEU 19 1HB LEU 19 6.980 -3.264 -8.370 618 HG LEU 19 HG LEU 19 5.552 -4.989 -6.350 619 1HD1 LEU 19 1HD1 LEU 19 4.730 -4.198 -9.152 620 2HD1 LEU 19 2HD1 LEU 19 3.878 -3.811 -7.655 621 3HD1 LEU 19 3HD1 LEU 19 3.966 -5.475 -8.208 622 1HD2 LEU 19 1HD2 LEU 19 7.632 -5.611 -7.958 623 2HD2 LEU 19 2HD2 LEU 19 6.281 -5.966 -9.026 624 3HD2 LEU 19 3HD2 LEU 19 6.399 -6.760 -7.459 625 HA PRO 20 HA PRO 20 10.403 -0.289 -6.075 626 1HB PRO 20 2HB PRO 20 12.684 -1.320 -7.504 627 2HB PRO 20 1HB PRO 20 12.515 -1.035 -5.769 628 1HG PRO 20 2HG PRO 20 12.780 -3.492 -6.931 629 2HG PRO 20 1HG PRO 20 12.048 -3.197 -5.344 630 1HD PRO 20 2HD PRO 20 10.709 -3.668 -7.983 631 2HD PRO 20 1HD PRO 20 10.257 -4.238 -6.358 632 H ASN 21 H ASN 21 9.212 -1.692 -8.880 633 HA ASN 21 HA ASN 21 10.392 0.330 -10.670 634 1HB ASN 21 2HB ASN 21 8.781 -2.142 -11.283 635 2HB ASN 21 1HB ASN 21 9.475 -1.060 -12.477 636 1HD2 ASN 21 1HD2 ASN 21 10.126 -3.916 -12.112 637 2HD2 ASN 21 2HD2 ASN 21 11.781 -3.984 -11.741 638 H LEU 22 H LEU 22 7.448 -0.393 -8.980 639 HA LEU 22 HA LEU 22 5.697 0.984 -10.799 640 1HB LEU 22 2HB LEU 22 5.278 0.278 -7.896 641 2HB LEU 22 1HB LEU 22 4.042 0.909 -8.961 642 HG LEU 22 HG LEU 22 5.465 -1.753 -9.130 643 1HD1 LEU 22 1HD1 LEU 22 3.035 -2.522 -9.167 644 2HD1 LEU 22 2HD1 LEU 22 2.587 -0.862 -8.781 645 3HD1 LEU 22 3HD1 LEU 22 3.563 -1.793 -7.649 646 1HD2 LEU 22 1HD2 LEU 22 3.811 -1.933 -11.143 647 2HD2 LEU 22 2HD2 LEU 22 5.379 -1.155 -11.369 648 3HD2 LEU 22 3HD2 LEU 22 3.917 -0.183 -11.141 649 H ASN 23 H ASN 23 4.547 2.877 -10.384 650 HA ASN 23 HA ASN 23 6.162 5.053 -9.275 651 1HB ASN 23 2HB ASN 23 5.304 5.860 -11.238 652 2HB ASN 23 1HB ASN 23 4.039 4.669 -11.292 653 1HD2 ASN 23 1HD2 ASN 23 2.347 6.080 -11.857 654 2HD2 ASN 23 2HD2 ASN 23 1.806 7.326 -10.845 655 H SER 24 H SER 24 5.232 6.529 -7.674 656 HA SER 24 HA SER 24 3.988 5.234 -5.502 657 1HB SER 24 2HB SER 24 3.621 7.559 -4.627 658 2HB SER 24 1HB SER 24 5.277 7.248 -5.138 659 HG SER 24 HG SER 24 4.836 8.320 -7.065 660 H LEU 25 H LEU 25 2.700 7.306 -8.045 661 HA LEU 25 HA LEU 25 -0.012 7.216 -7.199 662 1HB LEU 25 2HB LEU 25 1.486 8.513 -9.252 663 2HB LEU 25 1HB LEU 25 0.147 7.678 -9.987 664 HG LEU 25 HG LEU 25 -0.107 9.500 -7.642 665 1HD1 LEU 25 1HD1 LEU 25 -0.704 10.006 -10.565 666 2HD1 LEU 25 2HD1 LEU 25 0.586 10.764 -9.632 667 3HD1 LEU 25 3HD1 LEU 25 -1.099 11.107 -9.245 668 1HD2 LEU 25 1HD2 LEU 25 -2.030 8.321 -7.477 669 2HD2 LEU 25 2HD2 LEU 25 -1.878 7.693 -9.118 670 3HD2 LEU 25 3HD2 LEU 25 -2.551 9.302 -8.847 671 H GLN 26 H GLN 26 2.010 5.266 -9.371 672 HA GLN 26 HA GLN 26 -0.099 3.765 -10.548 673 1HB GLN 26 2HB GLN 26 2.827 3.432 -10.239 674 2HB GLN 26 1HB GLN 26 1.910 1.962 -10.512 675 1HG GLN 26 2HG GLN 26 0.959 2.897 -12.568 676 2HG GLN 26 1HG GLN 26 1.804 4.420 -12.290 677 1HE2 GLN 26 1HE2 GLN 26 3.771 1.897 -11.200 678 2HE2 GLN 26 2HE2 GLN 26 4.720 1.714 -12.594 679 H VAL 27 H VAL 27 1.860 3.405 -7.687 680 HA VAL 27 HA VAL 27 0.905 0.892 -6.874 681 HB VAL 27 HB VAL 27 2.259 3.133 -5.389 682 1HG1 VAL 27 1HG1 VAL 27 2.658 0.880 -3.864 683 2HG1 VAL 27 2HG1 VAL 27 0.978 0.674 -4.351 684 3HG1 VAL 27 3HG1 VAL 27 1.473 2.131 -3.496 685 1HG2 VAL 27 1HG2 VAL 27 3.050 0.945 -7.111 686 2HG2 VAL 27 2HG2 VAL 27 3.770 0.739 -5.512 687 3HG2 VAL 27 3HG2 VAL 27 4.052 2.222 -6.421 688 H VAL 28 H VAL 28 -0.052 4.179 -6.125 689 HA VAL 28 HA VAL 28 -2.114 3.539 -4.321 690 HB VAL 28 HB VAL 28 -1.879 5.883 -6.236 691 1HG1 VAL 28 1HG1 VAL 28 -3.318 6.348 -3.759 692 2HG1 VAL 28 2HG1 VAL 28 -4.039 5.018 -4.663 693 3HG1 VAL 28 3HG1 VAL 28 -3.853 6.598 -5.423 694 1HG2 VAL 28 1HG2 VAL 28 -0.288 5.200 -3.994 695 2HG2 VAL 28 2HG2 VAL 28 -1.392 6.448 -3.421 696 3HG2 VAL 28 3HG2 VAL 28 -0.352 6.761 -4.810 697 H ALA 29 H ALA 29 -1.868 3.611 -7.826 698 HA ALA 29 HA ALA 29 -4.577 3.471 -8.534 699 1HB ALA 29 1HB ALA 29 -3.746 3.233 -10.642 700 2HB ALA 29 2HB ALA 29 -2.724 1.866 -10.188 701 3HB ALA 29 3HB ALA 29 -2.175 3.517 -9.890 702 H PHE 30 H PHE 30 -2.178 0.944 -7.819 703 HA PHE 30 HA PHE 30 -3.987 -1.186 -8.197 704 1HB PHE 30 2HB PHE 30 -1.258 -1.001 -6.877 705 2HB PHE 30 1HB PHE 30 -2.113 -2.506 -7.223 706 HD1 PHE 30 1HD PHE 30 -3.173 -2.437 -9.859 707 HD2 PHE 30 2HD PHE 30 0.417 -0.484 -8.439 708 HE1 PHE 30 1HE PHE 30 -2.316 -2.275 -12.152 709 HE2 PHE 30 2HE PHE 30 1.235 -0.354 -10.739 710 HZ PHE 30 HZ PHE 30 -0.120 -1.251 -12.606 711 H ILE 31 H ILE 31 -2.702 0.498 -5.296 712 HA ILE 31 HA ILE 31 -3.985 -1.081 -3.350 713 HB ILE 31 HB ILE 31 -3.345 1.879 -3.256 714 1HG1 ILE 31 2HG1 ILE 31 -1.763 -0.415 -2.063 715 2HG1 ILE 31 1HG1 ILE 31 -1.419 0.219 -3.666 716 1HG2 ILE 31 1HG2 ILE 31 -4.001 -0.126 -1.072 717 2HG2 ILE 31 2HG2 ILE 31 -4.943 1.299 -1.507 718 3HG2 ILE 31 3HG2 ILE 31 -3.349 1.486 -0.770 719 1HD1 ILE 31 1HD1 ILE 31 -1.456 1.858 -1.109 720 2HD1 ILE 31 2HD1 ILE 31 -1.083 2.465 -2.730 721 3HD1 ILE 31 3HD1 ILE 31 0.006 1.312 -1.948 722 H ASN 32 H ASN 32 -5.044 1.834 -5.041 723 HA ASN 32 HA ASN 32 -7.501 2.211 -3.778 724 1HB ASN 32 2HB ASN 32 -6.301 3.760 -5.406 725 2HB ASN 32 1HB ASN 32 -6.959 2.768 -6.700 726 1HD2 ASN 32 1HD2 ASN 32 -7.788 5.269 -6.882 727 2HD2 ASN 32 2HD2 ASN 32 -9.362 5.498 -6.288 728 H SER 33 H SER 33 -6.557 -0.009 -6.382 729 HA SER 33 HA SER 33 -9.242 -0.746 -7.021 730 1HB SER 33 2HB SER 33 -6.541 -1.556 -7.855 731 2HB SER 33 1HB SER 33 -7.849 -2.714 -8.107 732 HG SER 33 HG SER 33 -7.914 0.013 -8.895 733 H LEU 34 H LEU 34 -6.797 -1.757 -4.747 734 HA LEU 34 HA LEU 34 -7.909 -4.299 -4.092 735 1HB LEU 34 2HB LEU 34 -6.443 -2.439 -2.196 736 2HB LEU 34 1HB LEU 34 -6.584 -4.179 -2.063 737 HG LEU 34 HG LEU 34 -5.020 -2.603 -4.100 738 1HD1 LEU 34 1HD1 LEU 34 -3.519 -2.972 -2.423 739 2HD1 LEU 34 2HD1 LEU 34 -3.332 -4.489 -3.296 740 3HD1 LEU 34 3HD1 LEU 34 -4.352 -4.423 -1.864 741 1HD2 LEU 34 1HD2 LEU 34 -5.843 -4.180 -5.489 742 2HD2 LEU 34 2HD2 LEU 34 -6.129 -5.321 -4.195 743 3HD2 LEU 34 3HD2 LEU 34 -4.503 -5.106 -4.828 744 H ARG 35 H ARG 35 -8.414 -0.990 -3.069 745 HA ARG 35 HA ARG 35 -10.401 -1.390 -1.053 746 1HB ARG 35 2HB ARG 35 -10.411 0.910 -3.013 747 2HB ARG 35 1HB ARG 35 -11.050 0.890 -1.383 748 1HG ARG 35 2HG ARG 35 -8.286 0.259 -1.196 749 2HG ARG 35 1HG ARG 35 -8.428 1.611 -2.280 750 1HD ARG 35 2HD ARG 35 -8.404 2.793 -0.332 751 2HD ARG 35 1HD ARG 35 -10.124 2.469 -0.400 752 HE ARG 35 HE ARG 35 -8.182 0.934 1.242 753 1HH1 ARG 35 1HH1 ARG 35 -10.781 -0.466 0.669 754 2HH1 ARG 35 2HH1 ARG 35 -11.762 -0.000 2.018 755 1HH2 ARG 35 1HH2 ARG 35 -9.731 2.655 2.914 756 2HH2 ARG 35 2HH2 ARG 35 -11.166 1.764 3.289 757 H ASP 36 H ASP 36 -10.594 -0.898 -4.550 758 HA ASP 36 HA ASP 36 -13.372 -0.877 -4.851 759 1HB ASP 36 2HB ASP 36 -11.759 -0.244 -6.627 760 2HB ASP 36 1HB ASP 36 -11.301 -1.934 -6.801 761 H ASP 37 H ASP 37 -11.080 -3.563 -4.783 762 HA ASP 37 HA ASP 37 -13.069 -5.410 -3.895 763 1HB ASP 37 2HB ASP 37 -12.435 -5.305 -6.789 764 2HB ASP 37 1HB ASP 37 -12.467 -6.908 -6.058 765 HA PRO 38 HA PRO 38 -9.042 -6.763 -2.488 766 1HB PRO 38 2HB PRO 38 -10.388 -8.414 -0.566 767 2HB PRO 38 1HB PRO 38 -9.494 -6.922 -0.290 768 1HG PRO 38 2HG PRO 38 -12.237 -7.300 -0.064 769 2HG PRO 38 1HG PRO 38 -11.380 -5.764 -0.047 770 1HD PRO 38 2HD PRO 38 -13.007 -6.948 -2.178 771 2HD PRO 38 1HD PRO 38 -12.479 -5.266 -1.958 772 H SER 39 H SER 39 -11.757 -8.527 -3.667 773 HA SER 39 HA SER 39 -10.804 -11.182 -3.528 774 1HB SER 39 2HB SER 39 -12.635 -9.986 -5.626 775 2HB SER 39 1HB SER 39 -12.498 -11.686 -5.187 776 HG SER 39 HG SER 39 -13.903 -9.681 -4.006 777 H GLN 40 H GLN 40 -10.588 -8.656 -6.013 778 HA GLN 40 HA GLN 40 -8.709 -10.301 -7.502 779 1HB GLN 40 2HB GLN 40 -9.325 -7.714 -8.687 780 2HB GLN 40 1HB GLN 40 -9.387 -9.309 -9.387 781 1HG GLN 40 2HG GLN 40 -11.564 -9.707 -8.163 782 2HG GLN 40 1HG GLN 40 -11.529 -8.011 -7.685 783 1HE2 GLN 40 1HE2 GLN 40 -10.537 -6.864 -10.108 784 2HE2 GLN 40 2HE2 GLN 40 -11.706 -7.084 -11.319 785 H SER 41 H SER 41 -8.188 -8.823 -4.910 786 HA SER 41 HA SER 41 -6.594 -6.594 -5.383 787 1HB SER 41 2HB SER 41 -7.238 -7.275 -3.112 788 2HB SER 41 1HB SER 41 -6.342 -8.779 -3.279 789 HG SER 41 HG SER 41 -4.731 -7.686 -2.532 790 H ALA 42 H ALA 42 -6.026 -9.955 -5.668 791 HA ALA 42 HA ALA 42 -3.203 -9.915 -6.084 792 1HB ALA 42 1HB ALA 42 -4.653 -11.874 -5.340 793 2HB ALA 42 2HB ALA 42 -3.469 -12.223 -6.603 794 3HB ALA 42 3HB ALA 42 -5.172 -11.999 -7.024 795 H ASN 43 H ASN 43 -6.033 -9.460 -8.058 796 HA ASN 43 HA ASN 43 -4.962 -10.037 -10.600 797 1HB ASN 43 2HB ASN 43 -7.353 -9.935 -9.917 798 2HB ASN 43 1HB ASN 43 -7.197 -8.177 -9.965 799 1HD2 ASN 43 1HD2 ASN 43 -6.772 -11.083 -12.051 800 2HD2 ASN 43 2HD2 ASN 43 -7.103 -10.268 -13.503 801 H LEU 44 H LEU 44 -5.691 -6.919 -9.038 802 HA LEU 44 HA LEU 44 -4.329 -5.557 -11.102 803 1HB LEU 44 2HB LEU 44 -4.922 -3.495 -10.058 804 2HB LEU 44 1HB LEU 44 -6.307 -4.556 -10.052 805 HG LEU 44 HG LEU 44 -5.960 -3.241 -8.005 806 1HD1 LEU 44 1HD1 LEU 44 -7.041 -4.754 -6.800 807 2HD1 LEU 44 2HD1 LEU 44 -5.820 -6.010 -7.107 808 3HD1 LEU 44 3HD1 LEU 44 -7.035 -5.648 -8.324 809 1HD2 LEU 44 1HD2 LEU 44 -3.401 -3.800 -8.083 810 2HD2 LEU 44 2HD2 LEU 44 -3.937 -5.120 -7.039 811 3HD2 LEU 44 3HD2 LEU 44 -4.250 -3.451 -6.592 812 H LEU 45 H LEU 45 -3.576 -6.943 -8.076 813 HA LEU 45 HA LEU 45 -1.070 -5.650 -7.618 814 1HB LEU 45 2HB LEU 45 -1.810 -6.924 -5.769 815 2HB LEU 45 1HB LEU 45 -2.319 -8.262 -6.789 816 HG LEU 45 HG LEU 45 0.028 -8.801 -7.287 817 1HD1 LEU 45 1HD1 LEU 45 0.945 -6.531 -7.092 818 2HD1 LEU 45 2HD1 LEU 45 1.823 -7.647 -6.065 819 3HD1 LEU 45 3HD1 LEU 45 0.640 -6.547 -5.361 820 1HD2 LEU 45 1HD2 LEU 45 -0.437 -10.146 -5.526 821 2HD2 LEU 45 2HD2 LEU 45 -1.124 -8.837 -4.574 822 3HD2 LEU 45 3HD2 LEU 45 0.620 -9.064 -4.625 823 H ALA 46 H ALA 46 -2.389 -8.241 -9.472 824 HA ALA 46 HA ALA 46 0.028 -9.348 -10.487 825 1HB ALA 46 1HB ALA 46 -1.470 -10.818 -11.353 826 2HB ALA 46 2HB ALA 46 -2.064 -9.568 -12.441 827 3HB ALA 46 3HB ALA 46 -2.801 -9.773 -10.855 828 H GLU 47 H GLU 47 -2.212 -6.841 -11.507 829 HA GLU 47 HA GLU 47 -0.991 -6.071 -13.925 830 1HB GLU 47 2HB GLU 47 -2.667 -4.478 -11.957 831 2HB GLU 47 1HB GLU 47 -2.196 -3.900 -13.548 832 1HG GLU 47 2HG GLU 47 -3.922 -6.281 -12.899 833 2HG GLU 47 1HG GLU 47 -4.438 -4.769 -13.620 834 H ALA 48 H ALA 48 -0.448 -5.322 -10.561 835 HA ALA 48 HA ALA 48 1.273 -3.088 -10.902 836 1HB ALA 48 1HB ALA 48 -0.059 -4.315 -8.839 837 2HB ALA 48 2HB ALA 48 1.160 -3.055 -8.652 838 3HB ALA 48 3HB ALA 48 1.621 -4.755 -8.526 839 H LYS 49 H LYS 49 1.805 -6.489 -10.135 840 HA LYS 49 HA LYS 49 4.636 -6.334 -10.076 841 1HB LYS 49 2HB LYS 49 2.634 -8.568 -10.346 842 2HB LYS 49 1HB LYS 49 4.368 -8.885 -10.385 843 1HG LYS 49 2HG LYS 49 4.521 -7.651 -8.181 844 2HG LYS 49 1HG LYS 49 2.759 -7.641 -8.149 845 1HD LYS 49 2HD LYS 49 4.395 -10.175 -8.452 846 2HD LYS 49 1HD LYS 49 3.856 -9.565 -6.893 847 1HE LYS 49 2HE LYS 49 1.572 -9.543 -8.575 848 2HE LYS 49 1HE LYS 49 2.374 -11.089 -8.847 849 1HZ LYS 49 1HZ LYS 49 1.778 -9.993 -6.157 850 2HZ LYS 49 2HZ LYS 49 2.338 -11.552 -6.532 851 3HZ LYS 49 3HZ LYS 49 0.767 -11.081 -6.975 852 H LYS 50 H LYS 50 2.210 -6.726 -12.503 853 HA LYS 50 HA LYS 50 3.889 -7.444 -14.708 854 1HB LYS 50 2HB LYS 50 1.425 -7.814 -14.587 855 2HB LYS 50 1HB LYS 50 1.210 -6.073 -14.684 856 1HG LYS 50 2HG LYS 50 2.658 -6.274 -16.861 857 2HG LYS 50 1HG LYS 50 2.200 -7.977 -16.793 858 1HD LYS 50 2HD LYS 50 0.181 -5.725 -16.632 859 2HD LYS 50 1HD LYS 50 0.650 -6.477 -18.157 860 1HE LYS 50 2HE LYS 50 -0.071 -8.683 -17.278 861 2HE LYS 50 1HE LYS 50 -0.567 -7.910 -15.771 862 1HZ LYS 50 1HZ LYS 50 -2.081 -6.507 -17.078 863 2HZ LYS 50 2HZ LYS 50 -2.456 -8.159 -17.200 864 3HZ LYS 50 3HZ LYS 50 -1.661 -7.369 -18.478 865 H LEU 51 H LEU 51 2.552 -4.445 -13.374 866 HA LEU 51 HA LEU 51 3.598 -2.722 -15.395 867 1HB LEU 51 2HB LEU 51 2.158 -2.425 -12.862 868 2HB LEU 51 1HB LEU 51 3.385 -1.183 -13.083 869 HG LEU 51 HG LEU 51 1.163 -0.573 -14.035 870 1HD1 LEU 51 1HD1 LEU 51 2.791 0.720 -14.996 871 2HD1 LEU 51 2HD1 LEU 51 2.299 -0.171 -16.440 872 3HD1 LEU 51 3HD1 LEU 51 3.738 -0.672 -15.543 873 1HD2 LEU 51 1HD2 LEU 51 1.151 -1.902 -16.488 874 2HD2 LEU 51 2HD2 LEU 51 0.074 -2.235 -15.132 875 3HD2 LEU 51 3HD2 LEU 51 1.545 -3.183 -15.339 876 H ASN 52 H ASN 52 4.647 -3.852 -12.304 877 HA ASN 52 HA ASN 52 7.014 -2.376 -12.012 878 1HB ASN 52 2HB ASN 52 6.332 -3.568 -10.130 879 2HB ASN 52 1HB ASN 52 5.952 -5.011 -11.047 880 1HD2 ASN 52 1HD2 ASN 52 8.489 -3.243 -9.486 881 2HD2 ASN 52 2HD2 ASN 52 9.682 -4.434 -9.626 882 H ASP 53 H ASP 53 6.107 -5.392 -13.465 883 HA ASP 53 HA ASP 53 8.673 -6.138 -14.472 884 1HB ASP 53 2HB ASP 53 6.555 -7.607 -14.263 885 2HB ASP 53 1HB ASP 53 6.082 -6.902 -15.806 886 H ALA 54 H ALA 54 6.039 -4.181 -15.688 887 HA ALA 54 HA ALA 54 6.916 -3.862 -18.358 888 1HB ALA 54 1HB ALA 54 5.183 -2.318 -18.566 889 2HB ALA 54 2HB ALA 54 5.311 -1.803 -16.885 890 3HB ALA 54 3HB ALA 54 4.615 -3.376 -17.275 891 H GLN 55 H GLN 55 7.480 -2.018 -15.386 892 HA GLN 55 HA GLN 55 9.098 -0.038 -16.787 893 1HB GLN 55 2HB GLN 55 8.296 -0.383 -13.940 894 2HB GLN 55 1HB GLN 55 9.283 0.947 -14.512 895 1HG GLN 55 2HG GLN 55 7.527 1.910 -15.683 896 2HG GLN 55 1HG GLN 55 6.695 0.370 -15.900 897 1HE2 GLN 55 1HE2 GLN 55 6.162 -0.658 -13.559 898 2HE2 GLN 55 2HE2 GLN 55 5.384 0.422 -12.507 899 H ALA 56 H ALA 56 9.579 -3.076 -15.516 900 HA ALA 56 HA ALA 56 12.118 -2.771 -14.233 901 1HB ALA 56 1HB ALA 56 11.948 -5.365 -15.349 902 2HB ALA 56 2HB ALA 56 10.319 -4.922 -14.852 903 3HB ALA 56 3HB ALA 56 11.635 -4.888 -13.684 904 HA PRO 57 HA PRO 57 14.897 -2.696 -17.563 905 1HB PRO 57 2HB PRO 57 16.786 -4.577 -16.471 906 2HB PRO 57 1HB PRO 57 16.803 -2.814 -16.362 907 1HG PRO 57 2HG PRO 57 16.406 -4.510 -14.252 908 2HG PRO 57 1HG PRO 57 15.911 -2.813 -14.304 909 1HD PRO 57 2HD PRO 57 14.261 -5.272 -14.738 910 2HD PRO 57 1HD PRO 57 13.840 -3.753 -13.910 911 H LYS 58 H LYS 58 12.845 -4.519 -18.073 912 HA LYS 58 HA LYS 58 13.873 -6.973 -19.130 913 1HB LYS 58 2HB LYS 58 11.268 -5.695 -19.832 914 2HB LYS 58 1HB LYS 58 11.675 -7.395 -19.900 915 1HG LYS 58 2HG LYS 58 11.281 -5.688 -17.432 916 2HG LYS 58 1HG LYS 58 10.341 -7.091 -17.930 917 1HD LYS 58 2HD LYS 58 12.788 -8.237 -17.811 918 2HD LYS 58 1HD LYS 58 13.011 -6.965 -16.608 919 1HE LYS 58 2HE LYS 58 10.821 -9.073 -16.627 920 2HE LYS 58 1HE LYS 58 12.182 -8.988 -15.511 921 1HZ LYS 58 1HZ LYS 58 9.954 -8.060 -14.747 922 2HZ LYS 58 2HZ LYS 58 10.277 -6.749 -15.778 923 3HZ LYS 58 3HZ LYS 58 11.329 -7.101 -14.491 Start of MODEL 37 1 1H VAL 1 1HT VAL 1 14.600 -9.548 4.310 2 2H VAL 1 2HT VAL 1 14.517 -9.576 6.007 3 3H VAL 1 3HT VAL 1 14.703 -8.100 5.187 4 HA VAL 1 HA VAL 1 12.416 -8.535 6.035 5 HB VAL 1 HB VAL 1 11.329 -7.821 3.905 6 1HG1 VAL 1 1HG1 VAL 1 12.753 -6.286 5.388 7 2HG1 VAL 1 2HG1 VAL 1 12.483 -5.744 3.732 8 3HG1 VAL 1 3HG1 VAL 1 14.024 -6.473 4.181 9 1HG2 VAL 1 1HG2 VAL 1 14.069 -8.358 2.698 10 2HG2 VAL 1 2HG2 VAL 1 12.704 -7.615 1.868 11 3HG2 VAL 1 3HG2 VAL 1 12.614 -9.300 2.375 12 H ASP 2 H ASP 2 10.318 -9.471 5.009 13 HA ASP 2 HA ASP 2 10.532 -12.056 3.742 14 1HB ASP 2 2HB ASP 2 9.795 -13.419 5.540 15 2HB ASP 2 1HB ASP 2 11.094 -12.442 6.212 16 H ASN 3 H ASN 3 8.136 -13.149 4.222 17 HA ASN 3 HA ASN 3 6.325 -11.597 2.738 18 1HB ASN 3 2HB ASN 3 5.709 -13.894 4.618 19 2HB ASN 3 1HB ASN 3 4.638 -13.269 3.363 20 1HD2 ASN 3 1HD2 ASN 3 6.125 -13.038 1.121 21 2HD2 ASN 3 2HD2 ASN 3 6.896 -14.494 0.716 22 H LYS 4 H LYS 4 6.762 -11.960 6.236 23 HA LYS 4 HA LYS 4 4.407 -10.615 7.059 24 1HB LYS 4 2HB LYS 4 5.976 -11.972 8.530 25 2HB LYS 4 1HB LYS 4 7.045 -10.568 8.535 26 1HG LYS 4 2HG LYS 4 5.134 -9.182 9.374 27 2HG LYS 4 1HG LYS 4 4.168 -10.649 9.486 28 1HD LYS 4 2HD LYS 4 5.837 -11.615 11.047 29 2HD LYS 4 1HD LYS 4 6.759 -10.111 10.969 30 1HE LYS 4 2HE LYS 4 3.842 -10.025 11.688 31 2HE LYS 4 1HE LYS 4 5.027 -10.466 12.918 32 1HZ LYS 4 1HZ LYS 4 5.987 -8.239 11.514 33 2HZ LYS 4 2HZ LYS 4 5.536 -8.339 13.150 34 3HZ LYS 4 3HZ LYS 4 4.388 -7.913 11.972 35 H PHE 5 H PHE 5 7.705 -9.477 6.425 36 HA PHE 5 HA PHE 5 7.437 -6.763 7.030 37 1HB PHE 5 2HB PHE 5 9.390 -8.395 6.027 38 2HB PHE 5 1HB PHE 5 9.013 -7.398 4.639 39 HD1 PHE 5 1HD PHE 5 9.660 -5.036 4.554 40 HD2 PHE 5 2HD PHE 5 10.140 -7.393 8.148 41 HE1 PHE 5 1HE PHE 5 11.120 -3.289 5.548 42 HE2 PHE 5 2HE PHE 5 11.572 -5.627 9.116 43 HZ PHE 5 HZ PHE 5 12.067 -3.589 7.816 44 H ASN 6 H ASN 6 6.978 -8.542 4.013 45 HA ASN 6 HA ASN 6 6.224 -6.412 2.336 46 1HB ASN 6 2HB ASN 6 6.897 -8.699 1.643 47 2HB ASN 6 1HB ASN 6 5.385 -9.318 2.274 48 1HD2 ASN 6 1HD2 ASN 6 3.562 -9.245 0.873 49 2HD2 ASN 6 2HD2 ASN 6 3.595 -8.501 -0.661 50 H LYS 7 H LYS 7 4.343 -8.678 4.312 51 HA LYS 7 HA LYS 7 1.782 -7.704 3.663 52 1HB LYS 7 2HB LYS 7 2.405 -9.890 4.848 53 2HB LYS 7 1HB LYS 7 2.586 -8.926 6.313 54 1HG LYS 7 2HG LYS 7 0.275 -8.195 6.181 55 2HG LYS 7 1HG LYS 7 0.072 -8.997 4.623 56 1HD LYS 7 2HD LYS 7 1.012 -11.040 6.254 57 2HD LYS 7 1HD LYS 7 -0.035 -10.119 7.334 58 1HE LYS 7 2HE LYS 7 -0.869 -11.041 4.572 59 2HE LYS 7 1HE LYS 7 -1.225 -11.934 6.047 60 1HZ LYS 7 1HZ LYS 7 -2.797 -10.476 6.653 61 2HZ LYS 7 2HZ LYS 7 -2.810 -10.045 5.010 62 3HZ LYS 7 3HZ LYS 7 -1.916 -9.126 6.124 63 H GLU 8 H GLU 8 4.137 -6.895 6.153 64 HA GLU 8 HA GLU 8 2.522 -5.014 7.507 65 1HB GLU 8 2HB GLU 8 5.500 -5.534 7.395 66 2HB GLU 8 1HB GLU 8 4.808 -4.206 8.353 67 1HG GLU 8 2HG GLU 8 3.481 -5.752 9.666 68 2HG GLU 8 1HG GLU 8 3.955 -7.102 8.642 69 H LEU 9 H LEU 9 4.926 -4.753 5.009 70 HA LEU 9 HA LEU 9 5.027 -1.929 4.665 71 1HB LEU 9 2HB LEU 9 6.707 -3.385 3.694 72 2HB LEU 9 1HB LEU 9 5.489 -4.266 2.774 73 HG LEU 9 HG LEU 9 4.935 -2.086 1.607 74 1HD1 LEU 9 1HD1 LEU 9 7.528 -0.887 2.048 75 2HD1 LEU 9 2HD1 LEU 9 6.613 -0.935 3.558 76 3HD1 LEU 9 3HD1 LEU 9 5.938 -0.171 2.111 77 1HD2 LEU 9 1HD2 LEU 9 6.217 -3.596 0.392 78 2HD2 LEU 9 2HD2 LEU 9 7.632 -3.378 1.435 79 3HD2 LEU 9 3HD2 LEU 9 7.133 -2.093 0.317 80 H GLY 10 H GLY 10 2.977 -4.470 3.365 81 1HA GLY 10 2HA GLY 10 1.497 -2.723 1.706 82 2HA GLY 10 1HA GLY 10 1.084 -4.379 2.113 83 H TRP 11 H TRP 11 1.193 -4.040 4.970 84 HA TRP 11 HA TRP 11 -1.421 -3.138 5.235 85 1HB TRP 11 2HB TRP 11 -0.117 -4.901 6.685 86 2HB TRP 11 1HB TRP 11 0.058 -3.486 7.730 87 HD1 TRP 11 HD TRP 11 -1.738 -4.141 9.492 88 HE1 TRP 11 1HE TRP 11 -4.309 -4.349 9.451 89 HE3 TRP 11 3HE TRP 11 -2.663 -3.936 4.432 90 HZ2 TRP 11 2HZ TRP 11 -6.454 -4.358 7.570 91 HZ3 TRP 11 3HZ TRP 11 -4.914 -3.992 3.556 92 HH2 TRP 11 HH TRP 11 -6.855 -4.225 5.119 93 H ALA 12 H ALA 12 1.516 -1.736 6.520 94 HA ALA 12 HA ALA 12 0.235 0.386 7.759 95 1HB ALA 12 1HB ALA 12 2.366 0.810 8.334 96 2HB ALA 12 2HB ALA 12 2.729 1.301 6.679 97 3HB ALA 12 3HB ALA 12 2.912 -0.386 7.164 98 H THR 13 H THR 13 1.217 -0.141 4.422 99 HA THR 13 HA THR 13 0.758 2.384 3.278 100 HB THR 13 HB THR 13 0.547 -0.438 2.298 101 HG1 THR 13 1HG THR 13 2.574 -0.018 2.285 102 1HG2 THR 13 1HG2 THR 13 -0.042 2.116 0.816 103 2HG2 THR 13 2HG2 THR 13 -0.988 0.623 0.858 104 3HG2 THR 13 3HG2 THR 13 0.545 0.674 -0.014 105 H TRP 14 H TRP 14 -1.432 -0.360 3.755 106 HA TRP 14 HA TRP 14 -3.764 0.790 2.652 107 1HB TRP 14 2HB TRP 14 -3.268 -1.639 3.247 108 2HB TRP 14 1HB TRP 14 -3.654 -1.213 4.900 109 HD1 TRP 14 HD TRP 14 -6.097 -1.221 5.576 110 HE1 TRP 14 1HE TRP 14 -8.329 -1.584 4.350 111 HE3 TRP 14 3HE TRP 14 -4.510 -1.002 0.702 112 HZ2 TRP 14 2HZ TRP 14 -9.302 -1.765 1.676 113 HZ3 TRP 14 3HZ TRP 14 -6.096 -1.290 -1.117 114 HH2 TRP 14 HH TRP 14 -8.477 -1.675 -0.643 115 H GLU 15 H GLU 15 -2.569 0.591 5.977 116 HA GLU 15 HA GLU 15 -4.770 1.796 7.245 117 1HB GLU 15 2HB GLU 15 -1.854 1.628 8.046 118 2HB GLU 15 1HB GLU 15 -3.164 2.117 9.125 119 1HG GLU 15 2HG GLU 15 -4.245 -0.033 8.926 120 2HG GLU 15 1HG GLU 15 -3.164 -0.531 7.626 121 H ILE 16 H ILE 16 -1.806 3.170 5.868 122 HA ILE 16 HA ILE 16 -2.290 5.892 6.667 123 HB ILE 16 HB ILE 16 -0.639 4.696 4.390 124 1HG1 ILE 16 2HG1 ILE 16 0.303 5.852 7.014 125 2HG1 ILE 16 1HG1 ILE 16 0.014 4.145 6.792 126 1HG2 ILE 16 1HG2 ILE 16 0.563 7.008 4.691 127 2HG2 ILE 16 2HG2 ILE 16 -0.987 7.523 5.352 128 3HG2 ILE 16 3HG2 ILE 16 -0.893 6.913 3.704 129 1HD1 ILE 16 1HD1 ILE 16 1.966 3.866 5.679 130 2HD1 ILE 16 2HD1 ILE 16 2.402 5.471 6.258 131 3HD1 ILE 16 3HD1 ILE 16 1.679 5.278 4.654 132 H PHE 17 H PHE 17 -3.027 3.881 3.900 133 HA PHE 17 HA PHE 17 -4.161 5.799 2.146 134 1HB PHE 17 2HB PHE 17 -3.400 3.257 1.918 135 2HB PHE 17 1HB PHE 17 -5.091 2.968 2.218 136 HD1 PHE 17 1HD PHE 17 -2.597 4.232 -0.135 137 HD2 PHE 17 2HD PHE 17 -6.797 3.794 0.628 138 HE1 PHE 17 1HE PHE 17 -3.060 4.579 -2.531 139 HE2 PHE 17 2HE PHE 17 -7.275 4.144 -1.765 140 HZ PHE 17 HZ PHE 17 -5.397 4.529 -3.346 141 H ASN 18 H ASN 18 -5.416 3.880 4.817 142 HA ASN 18 HA ASN 18 -8.204 4.572 4.335 143 1HB ASN 18 2HB ASN 18 -6.723 2.715 6.088 144 2HB ASN 18 1HB ASN 18 -8.128 3.454 6.846 145 1HD2 ASN 18 1HD2 ASN 18 -7.425 0.661 5.458 146 2HD2 ASN 18 2HD2 ASN 18 -8.844 0.356 4.578 147 H LEU 19 H LEU 19 -5.704 6.370 5.626 148 HA LEU 19 HA LEU 19 -6.954 7.275 7.997 149 1HB LEU 19 2HB LEU 19 -4.641 8.162 6.399 150 2HB LEU 19 1HB LEU 19 -5.373 9.375 7.441 151 HG LEU 19 HG LEU 19 -4.459 6.622 8.358 152 1HD1 LEU 19 1HD1 LEU 19 -3.240 9.340 8.345 153 2HD1 LEU 19 2HD1 LEU 19 -2.497 7.780 8.008 154 3HD1 LEU 19 3HD1 LEU 19 -2.866 8.239 9.661 155 1HD2 LEU 19 1HD2 LEU 19 -6.084 8.722 9.590 156 2HD2 LEU 19 2HD2 LEU 19 -4.645 8.356 10.536 157 3HD2 LEU 19 3HD2 LEU 19 -5.789 7.072 10.132 158 HA PRO 20 HA PRO 20 -9.941 9.935 6.060 159 1HB PRO 20 2HB PRO 20 -10.663 11.007 8.645 160 2HB PRO 20 1HB PRO 20 -11.486 9.740 7.720 161 1HG PRO 20 2HG PRO 20 -10.227 9.320 10.092 162 2HG PRO 20 1HG PRO 20 -10.427 8.070 8.847 163 1HD PRO 20 2HD PRO 20 -8.033 9.828 9.369 164 2HD PRO 20 1HD PRO 20 -8.091 8.074 9.114 165 H ASN 21 H ASN 21 -7.023 11.162 6.936 166 HA ASN 21 HA ASN 21 -8.012 13.927 6.500 167 1HB ASN 21 2HB ASN 21 -6.407 13.009 8.861 168 2HB ASN 21 1HB ASN 21 -6.394 14.684 8.333 169 1HD2 ASN 21 1HD2 ASN 21 -7.992 12.557 10.390 170 2HD2 ASN 21 2HD2 ASN 21 -9.442 13.418 10.569 171 H LEU 22 H LEU 22 -5.836 11.612 5.568 172 HA LEU 22 HA LEU 22 -3.642 13.453 4.993 173 1HB LEU 22 2HB LEU 22 -4.010 10.546 4.258 174 2HB LEU 22 1HB LEU 22 -2.538 11.489 4.020 175 HG LEU 22 HG LEU 22 -3.863 10.975 6.701 176 1HD1 LEU 22 1HD1 LEU 22 -2.896 8.942 6.122 177 2HD1 LEU 22 2HD1 LEU 22 -1.596 9.748 6.996 178 3HD1 LEU 22 3HD1 LEU 22 -1.577 9.696 5.234 179 1HD2 LEU 22 1HD2 LEU 22 -1.543 12.623 5.783 180 2HD2 LEU 22 2HD2 LEU 22 -1.390 11.758 7.307 181 3HD2 LEU 22 3HD2 LEU 22 -2.690 12.933 7.095 182 H ASN 23 H ASN 23 -2.898 13.982 2.907 183 HA ASN 23 HA ASN 23 -5.049 13.931 0.889 184 1HB ASN 23 2HB ASN 23 -3.990 15.794 -0.165 185 2HB ASN 23 1HB ASN 23 -4.034 16.143 1.556 186 1HD2 ASN 23 1HD2 ASN 23 -2.141 17.219 -0.484 187 2HD2 ASN 23 2HD2 ASN 23 -0.592 16.782 0.054 188 H GLY 24 H GLY 24 -4.332 13.633 -1.386 189 1HA GLY 24 2HA GLY 24 -3.314 11.132 -1.840 190 2HA GLY 24 1HA GLY 24 -3.289 12.416 -3.039 191 H VAL 25 H VAL 25 -1.462 14.147 -1.570 192 HA VAL 25 HA VAL 25 0.995 12.999 -2.484 193 HB VAL 25 HB VAL 25 0.422 15.543 -0.971 194 1HG1 VAL 25 1HG1 VAL 25 2.967 14.326 -2.046 195 2HG1 VAL 25 2HG1 VAL 25 2.695 15.094 -0.480 196 3HG1 VAL 25 3HG1 VAL 25 2.786 16.079 -1.940 197 1HG2 VAL 25 1HG2 VAL 25 -0.506 15.661 -3.158 198 2HG2 VAL 25 2HG2 VAL 25 0.837 14.753 -3.859 199 3HG2 VAL 25 3HG2 VAL 25 1.080 16.419 -3.322 200 H GLN 26 H GLN 26 -0.203 13.795 0.832 201 HA GLN 26 HA GLN 26 2.119 12.865 2.108 202 1HB GLN 26 2HB GLN 26 -0.642 13.476 2.960 203 2HB GLN 26 1HB GLN 26 0.309 12.444 4.022 204 1HG GLN 26 2HG GLN 26 1.793 14.101 4.565 205 2HG GLN 26 1HG GLN 26 1.743 14.814 2.949 206 1HE2 GLN 26 1HE2 GLN 26 -0.262 14.439 5.862 207 2HE2 GLN 26 2HE2 GLN 26 -1.042 15.934 5.710 208 H VAL 27 H VAL 27 -0.878 11.196 1.218 209 HA VAL 27 HA VAL 27 -0.197 8.703 2.392 210 HB VAL 27 HB VAL 27 -1.938 9.253 -0.033 211 1HG1 VAL 27 1HG1 VAL 27 -1.391 6.928 -0.039 212 2HG1 VAL 27 2HG1 VAL 27 -2.963 7.027 0.751 213 3HG1 VAL 27 3HG1 VAL 27 -1.502 6.824 1.720 214 1HG2 VAL 27 1HG2 VAL 27 -2.641 8.886 2.906 215 2HG2 VAL 27 2HG2 VAL 27 -3.798 9.113 1.593 216 3HG2 VAL 27 3HG2 VAL 27 -2.694 10.415 2.028 217 H LYS 28 H LYS 28 0.323 10.075 -0.836 218 HA LYS 28 HA LYS 28 1.643 7.846 -1.977 219 1HB LYS 28 2HB LYS 28 1.602 10.800 -2.621 220 2HB LYS 28 1HB LYS 28 2.692 9.706 -3.473 221 1HG LYS 28 2HG LYS 28 0.896 8.420 -4.358 222 2HG LYS 28 1HG LYS 28 -0.270 9.134 -3.250 223 1HD LYS 28 2HD LYS 28 -0.683 10.257 -5.287 224 2HD LYS 28 1HD LYS 28 0.328 11.390 -4.394 225 1HE LYS 28 2HE LYS 28 1.478 9.378 -6.343 226 2HE LYS 28 1HE LYS 28 0.977 10.994 -6.835 227 1HZ LYS 28 1HZ LYS 28 2.487 11.451 -4.631 228 2HZ LYS 28 2HZ LYS 28 3.016 11.606 -6.238 229 3HZ LYS 28 3HZ LYS 28 3.309 10.169 -5.379 230 H ALA 29 H ALA 29 2.751 10.518 0.000 231 HA ALA 29 HA ALA 29 5.530 10.104 -0.329 232 1HB ALA 29 1HB ALA 29 4.176 11.346 2.041 233 2HB ALA 29 2HB ALA 29 4.401 12.204 0.515 234 3HB ALA 29 3HB ALA 29 5.801 11.657 1.437 235 H PHE 30 H PHE 30 3.163 9.124 2.094 236 HA PHE 30 HA PHE 30 4.984 7.828 3.770 237 1HB PHE 30 2HB PHE 30 2.029 7.395 3.365 238 2HB PHE 30 1HB PHE 30 2.982 6.703 4.673 239 HD1 PHE 30 1HD PHE 30 0.618 9.074 4.307 240 HD2 PHE 30 2HD PHE 30 4.758 8.857 5.539 241 HE1 PHE 30 1HE PHE 30 0.352 11.124 5.640 242 HE2 PHE 30 2HE PHE 30 4.456 10.923 6.838 243 HZ PHE 30 HZ PHE 30 2.262 12.040 6.890 244 H ILE 31 H ILE 31 3.065 6.918 0.974 245 HA ILE 31 HA ILE 31 3.734 4.173 0.975 246 HB ILE 31 HB ILE 31 2.737 6.054 -1.146 247 1HG1 ILE 31 2HG1 ILE 31 1.585 3.519 0.069 248 2HG1 ILE 31 1HG1 ILE 31 1.188 5.149 0.600 249 1HG2 ILE 31 1HG2 ILE 31 3.965 4.712 -2.597 250 2HG2 ILE 31 2HG2 ILE 31 2.502 3.741 -2.465 251 3HG2 ILE 31 3HG2 ILE 31 3.925 3.316 -1.522 252 1HD1 ILE 31 1HD1 ILE 31 0.287 5.673 -1.619 253 2HD1 ILE 31 2HD1 ILE 31 -0.512 4.246 -0.955 254 3HD1 ILE 31 3HD1 ILE 31 0.732 4.065 -2.192 255 H ASP 32 H ASP 32 5.129 6.986 -0.625 256 HA ASP 32 HA ASP 32 7.157 5.579 -1.957 257 1HB ASP 32 2HB ASP 32 6.809 8.456 -1.133 258 2HB ASP 32 1HB ASP 32 8.328 7.926 -1.861 259 H SER 33 H SER 33 7.066 7.022 1.212 260 HA SER 33 HA SER 33 9.788 6.563 1.912 261 1HB SER 33 2HB SER 33 7.308 6.846 3.631 262 2HB SER 33 1HB SER 33 8.969 6.863 4.235 263 HG SER 33 HG SER 33 7.826 8.643 2.337 264 H LEU 34 H LEU 34 6.810 4.776 2.154 265 HA LEU 34 HA LEU 34 7.604 2.476 3.626 266 1HB LEU 34 2HB LEU 34 5.418 3.366 1.852 267 2HB LEU 34 1HB LEU 34 5.704 1.655 1.835 268 HG LEU 34 HG LEU 34 5.703 2.721 4.522 269 1HD1 LEU 34 1HD1 LEU 34 3.022 2.735 4.262 270 2HD1 LEU 34 2HD1 LEU 34 3.466 3.386 2.692 271 3HD1 LEU 34 3HD1 LEU 34 3.986 4.204 4.161 272 1HD2 LEU 34 1HD2 LEU 34 3.913 0.866 4.634 273 2HD2 LEU 34 2HD2 LEU 34 5.562 0.420 4.227 274 3HD2 LEU 34 3HD2 LEU 34 4.362 0.547 2.958 275 H ARG 35 H ARG 35 7.344 3.120 0.183 276 HA ARG 35 HA ARG 35 8.398 0.735 -0.863 277 1HB ARG 35 2HB ARG 35 8.450 3.554 -1.961 278 2HB ARG 35 1HB ARG 35 8.835 2.113 -2.899 279 1HG ARG 35 2HG ARG 35 6.602 1.246 -2.566 280 2HG ARG 35 1HG ARG 35 6.220 2.551 -1.481 281 1HD ARG 35 2HD ARG 35 5.245 3.113 -3.593 282 2HD ARG 35 1HD ARG 35 6.628 4.170 -3.342 283 HE ARG 35 HE ARG 35 7.575 3.220 -5.199 284 1HH1 ARG 35 1HH2 ARG 35 5.349 0.995 -3.774 285 2HH1 ARG 35 2HH2 ARG 35 5.485 -0.165 -5.061 286 1HH2 ARG 35 1HH1 ARG 35 7.678 1.776 -6.919 287 2HH2 ARG 35 2HH1 ARG 35 6.818 0.277 -6.834 288 H ASP 36 H ASP 36 9.954 3.815 -0.078 289 HA ASP 36 HA ASP 36 12.566 3.172 -0.916 290 1HB ASP 36 2HB ASP 36 11.725 5.469 -0.481 291 2HB ASP 36 1HB ASP 36 11.744 5.088 1.230 292 H ASP 37 H ASP 37 10.856 2.817 2.115 293 HA ASP 37 HA ASP 37 12.720 0.792 2.998 294 1HB ASP 37 2HB ASP 37 13.808 2.849 3.806 295 2HB ASP 37 1HB ASP 37 12.318 3.315 4.624 296 HA PRO 38 HA PRO 38 8.509 -0.287 4.109 297 1HB PRO 38 2HB PRO 38 9.387 -2.991 4.407 298 2HB PRO 38 1HB PRO 38 8.401 -2.295 3.143 299 1HG PRO 38 2HG PRO 38 11.003 -3.233 2.888 300 2HG PRO 38 1HG PRO 38 10.093 -2.288 1.704 301 1HD PRO 38 2HD PRO 38 12.270 -1.431 3.483 302 2HD PRO 38 1HD PRO 38 11.636 -0.658 2.013 303 H SER 39 H SER 39 11.471 -0.924 5.799 304 HA SER 39 HA SER 39 10.480 -2.032 8.192 305 1HB SER 39 2HB SER 39 12.942 -1.735 7.444 306 2HB SER 39 1HB SER 39 12.803 -0.108 8.092 307 HG SER 39 HG SER 39 12.103 -2.434 9.549 308 H GLN 40 H GLN 40 10.655 1.188 6.913 309 HA GLN 40 HA GLN 40 9.851 2.494 9.345 310 1HB GLN 40 2HB GLN 40 10.495 3.357 6.560 311 2HB GLN 40 1HB GLN 40 9.551 4.440 7.579 312 1HG GLN 40 2HG GLN 40 11.259 4.484 9.256 313 2HG GLN 40 1HG GLN 40 12.169 3.211 8.451 314 1HE2 GLN 40 1HE2 GLN 40 13.407 3.783 6.560 315 2HE2 GLN 40 2HE2 GLN 40 13.666 5.398 6.107 316 H SER 41 H SER 41 8.162 0.696 7.078 317 HA SER 41 HA SER 41 5.938 2.123 6.366 318 1HB SER 41 2HB SER 41 4.764 -0.011 6.273 319 2HB SER 41 1HB SER 41 6.433 -0.271 5.791 320 HG SER 41 HG SER 41 6.838 -1.250 7.678 321 H ALA 42 H ALA 42 6.612 0.660 9.509 322 HA ALA 42 HA ALA 42 4.065 1.135 10.713 323 1HB ALA 42 1HB ALA 42 5.812 -0.465 11.545 324 2HB ALA 42 2HB ALA 42 5.221 0.649 12.781 325 3HB ALA 42 3HB ALA 42 6.787 0.936 12.007 326 H ASN 43 H ASN 43 7.122 2.793 10.546 327 HA ASN 43 HA ASN 43 6.562 4.925 12.294 328 1HB ASN 43 2HB ASN 43 8.580 4.281 10.189 329 2HB ASN 43 1HB ASN 43 8.537 5.909 10.882 330 1HD2 ASN 43 1HD2 ASN 43 9.696 2.717 11.369 331 2HD2 ASN 43 2HD2 ASN 43 10.190 2.896 12.982 332 H LEU 44 H LEU 44 6.176 4.399 8.897 333 HA LEU 44 HA LEU 44 5.540 7.075 8.139 334 1HB LEU 44 2HB LEU 44 5.179 4.388 6.785 335 2HB LEU 44 1HB LEU 44 5.053 5.966 5.983 336 HG LEU 44 HG LEU 44 7.470 5.252 7.632 337 1HD1 LEU 44 1HD1 LEU 44 8.630 4.692 5.528 338 2HD1 LEU 44 2HD1 LEU 44 7.064 4.699 4.706 339 3HD1 LEU 44 3HD1 LEU 44 7.390 3.528 5.983 340 1HD2 LEU 44 1HD2 LEU 44 6.800 7.248 5.528 341 2HD2 LEU 44 2HD2 LEU 44 8.432 6.989 6.146 342 3HD2 LEU 44 3HD2 LEU 44 7.150 7.531 7.230 343 H LEU 45 H LEU 45 3.943 4.221 9.007 344 HA LEU 45 HA LEU 45 1.257 5.058 8.544 345 1HB LEU 45 2HB LEU 45 1.633 2.721 8.777 346 2HB LEU 45 1HB LEU 45 2.538 2.936 10.270 347 HG LEU 45 HG LEU 45 0.511 3.631 11.437 348 1HD1 LEU 45 1HD1 LEU 45 -0.721 3.399 8.686 349 2HD1 LEU 45 2HD1 LEU 45 -0.749 4.781 9.782 350 3HD1 LEU 45 3HD1 LEU 45 -1.696 3.342 10.153 351 1HD2 LEU 45 1HD2 LEU 45 0.224 1.093 9.801 352 2HD2 LEU 45 2HD2 LEU 45 -0.739 1.470 11.234 353 3HD2 LEU 45 3HD2 LEU 45 1.007 1.265 11.373 354 H ALA 46 H ALA 46 3.571 5.247 11.110 355 HA ALA 46 HA ALA 46 1.934 6.371 13.114 356 1HB ALA 46 1HB ALA 46 4.336 5.339 13.266 357 2HB ALA 46 2HB ALA 46 3.918 6.685 14.324 358 3HB ALA 46 3HB ALA 46 4.858 6.974 12.855 359 H GLU 47 H GLU 47 4.146 7.679 10.748 360 HA GLU 47 HA GLU 47 3.936 10.400 11.335 361 1HB GLU 47 2HB GLU 47 4.636 8.767 8.932 362 2HB GLU 47 1HB GLU 47 4.532 10.519 8.803 363 1HG GLU 47 2HG GLU 47 6.395 8.892 10.528 364 2HG GLU 47 1HG GLU 47 6.813 9.928 9.171 365 H ALA 48 H ALA 48 2.151 8.202 9.293 366 HA ALA 48 HA ALA 48 0.590 10.114 7.971 367 1HB ALA 48 1HB ALA 48 0.967 7.852 7.171 368 2HB ALA 48 2HB ALA 48 -0.747 8.126 7.393 369 3HB ALA 48 3HB ALA 48 0.150 7.197 8.585 370 H LYS 49 H LYS 49 0.003 8.049 10.809 371 HA LYS 49 HA LYS 49 -2.580 9.032 11.408 372 1HB LYS 49 2HB LYS 49 -0.423 7.801 13.134 373 2HB LYS 49 1HB LYS 49 -2.009 8.256 13.763 374 1HG LYS 49 2HG LYS 49 -3.095 6.808 12.079 375 2HG LYS 49 1HG LYS 49 -1.514 6.338 11.463 376 1HD LYS 49 2HD LYS 49 -0.935 5.394 13.679 377 2HD LYS 49 1HD LYS 49 -2.531 5.847 14.280 378 1HE LYS 49 2HE LYS 49 -3.532 4.077 13.280 379 2HE LYS 49 1HE LYS 49 -2.648 4.322 11.775 380 1HZ LYS 49 1HZ LYS 49 -1.633 2.980 14.222 381 2HZ LYS 49 2HZ LYS 49 -0.701 3.301 12.840 382 3HZ LYS 49 3HZ LYS 49 -2.020 2.236 12.748 383 H LYS 50 H LYS 50 0.656 10.256 11.985 384 HA LYS 50 HA LYS 50 -0.193 12.275 13.805 385 1HB LYS 50 2HB LYS 50 2.364 11.720 12.340 386 2HB LYS 50 1HB LYS 50 2.139 13.220 13.248 387 1HG LYS 50 2HG LYS 50 1.436 11.723 15.222 388 2HG LYS 50 1HG LYS 50 2.098 10.381 14.299 389 1HD LYS 50 2HD LYS 50 3.622 12.879 15.100 390 2HD LYS 50 1HD LYS 50 3.760 11.307 15.884 391 1HE LYS 50 2HE LYS 50 4.400 11.855 12.970 392 2HE LYS 50 1HE LYS 50 5.593 11.702 14.255 393 1HZ LYS 50 1HZ LYS 50 3.635 9.586 13.556 394 2HZ LYS 50 2HZ LYS 50 4.944 9.457 14.630 395 3HZ LYS 50 3HZ LYS 50 5.223 9.638 12.965 396 H LEU 51 H LEU 51 0.425 12.052 10.383 397 HA LEU 51 HA LEU 51 0.068 14.818 9.863 398 1HB LEU 51 2HB LEU 51 0.400 12.370 8.233 399 2HB LEU 51 1HB LEU 51 -0.486 13.687 7.474 400 HG LEU 51 HG LEU 51 1.838 13.940 6.927 401 1HD1 LEU 51 1HD1 LEU 51 1.644 16.014 9.044 402 2HD1 LEU 51 2HD1 LEU 51 0.322 15.938 7.879 403 3HD1 LEU 51 3HD1 LEU 51 1.976 16.184 7.321 404 1HD2 LEU 51 1HD2 LEU 51 3.113 12.806 8.506 405 2HD2 LEU 51 2HD2 LEU 51 2.213 13.477 9.867 406 3HD2 LEU 51 3HD2 LEU 51 3.388 14.472 9.006 407 H ASN 52 H ASN 52 -1.986 11.982 9.733 408 HA ASN 52 HA ASN 52 -4.303 13.197 8.719 409 1HB ASN 52 2HB ASN 52 -4.849 11.012 8.714 410 2HB ASN 52 1HB ASN 52 -3.468 10.644 9.724 411 1HD2 ASN 52 1HD2 ASN 52 -6.883 11.355 9.767 412 2HD2 ASN 52 2HD2 ASN 52 -7.156 10.858 11.363 413 H ASP 53 H ASP 53 -3.099 12.528 11.973 414 HA ASP 53 HA ASP 53 -5.264 13.617 13.386 415 1HB ASP 53 2HB ASP 53 -3.632 12.159 14.460 416 2HB ASP 53 1HB ASP 53 -2.378 13.378 14.239 417 H ALA 54 H ALA 54 -2.273 15.008 12.179 418 HA ALA 54 HA ALA 54 -2.537 17.571 13.320 419 1HB ALA 54 1HB ALA 54 -0.997 18.219 11.377 420 2HB ALA 54 2HB ALA 54 -1.067 16.521 10.905 421 3HB ALA 54 3HB ALA 54 -0.399 16.971 12.471 422 H GLN 55 H GLN 55 -3.655 16.081 10.332 423 HA GLN 55 HA GLN 55 -4.909 18.537 9.373 424 1HB GLN 55 2HB GLN 55 -4.674 15.715 8.335 425 2HB GLN 55 1HB GLN 55 -5.669 16.936 7.529 426 1HG GLN 55 2HG GLN 55 -3.763 18.347 7.141 427 2HG GLN 55 1HG GLN 55 -2.744 17.369 8.195 428 1HE2 GLN 55 1HE2 GLN 55 -2.813 14.881 7.433 429 2HE2 GLN 55 2HE2 GLN 55 -2.562 14.662 5.770 430 H ALA 56 H ALA 56 -5.695 16.279 11.656 431 HA ALA 56 HA ALA 56 -8.470 15.836 11.043 432 1HB ALA 56 1HB ALA 56 -7.047 14.314 12.485 433 2HB ALA 56 2HB ALA 56 -8.597 14.765 13.190 434 3HB ALA 56 3HB ALA 56 -7.121 15.553 13.737 435 HA PRO 57 HA PRO 57 -10.531 19.518 12.187 436 1HB PRO 57 2HB PRO 57 -12.356 18.232 13.981 437 2HB PRO 57 1HB PRO 57 -12.607 18.662 12.286 438 1HG PRO 57 2HG PRO 57 -11.799 16.112 13.472 439 2HG PRO 57 1HG PRO 57 -12.766 16.435 12.024 440 1HD PRO 57 2HD PRO 57 -10.274 15.569 11.800 441 2HD PRO 57 1HD PRO 57 -10.873 16.851 10.717 442 H LYS 58 H LYS 58 -8.823 20.373 13.337 443 HA LYS 58 HA LYS 58 -9.154 20.471 16.251 444 1HB LYS 58 2HB LYS 58 -6.587 19.981 14.801 445 2HB LYS 58 1HB LYS 58 -6.657 20.477 16.484 446 1HG LYS 58 2HG LYS 58 -8.042 18.470 16.986 447 2HG LYS 58 1HG LYS 58 -7.885 17.959 15.306 448 1HD LYS 58 2HD LYS 58 -5.408 17.921 15.580 449 2HD LYS 58 1HD LYS 58 -5.615 18.328 17.284 450 1HE LYS 58 2HE LYS 58 -7.262 16.212 17.192 451 2HE LYS 58 1HE LYS 58 -6.198 15.767 15.859 452 1HZ LYS 58 1HZ LYS 58 -5.213 16.566 18.538 453 2HZ LYS 58 2HZ LYS 58 -4.317 15.876 17.268 454 3HZ LYS 58 3HZ LYS 58 -5.487 14.955 18.086 455 1H VAL 1 1HT VAL 1 -15.237 -7.059 10.131 456 2H VAL 1 2HT VAL 1 -14.138 -7.040 8.836 457 3H VAL 1 3HT VAL 1 -15.143 -8.387 9.082 458 HA VAL 1 HA VAL 1 -17.057 -7.255 8.423 459 HB VAL 1 HB VAL 1 -16.556 -5.188 9.704 460 1HG1 VAL 1 1HG1 VAL 1 -14.840 -4.344 7.353 461 2HG1 VAL 1 2HG1 VAL 1 -14.165 -5.009 8.841 462 3HG1 VAL 1 3HG1 VAL 1 -15.070 -3.498 8.883 463 1HG2 VAL 1 1HG2 VAL 1 -17.118 -4.548 6.790 464 2HG2 VAL 1 2HG2 VAL 1 -17.661 -3.646 8.204 465 3HG2 VAL 1 3HG2 VAL 1 -18.310 -5.254 7.883 466 H ASP 2 H ASP 2 -13.786 -6.543 7.285 467 HA ASP 2 HA ASP 2 -14.478 -6.250 4.526 468 1HB ASP 2 2HB ASP 2 -12.388 -5.344 5.591 469 2HB ASP 2 1HB ASP 2 -11.790 -6.998 5.695 470 H ASN 3 H ASN 3 -13.723 -7.704 2.820 471 HA ASN 3 HA ASN 3 -14.760 -10.292 3.056 472 1HB ASN 3 2HB ASN 3 -12.810 -9.212 1.006 473 2HB ASN 3 1HB ASN 3 -13.782 -10.672 0.830 474 1HD2 ASN 3 1HD2 ASN 3 -13.980 -7.120 1.040 475 2HD2 ASN 3 2HD2 ASN 3 -15.543 -7.006 0.388 476 H LYS 4 H LYS 4 -13.539 -12.295 2.536 477 HA LYS 4 HA LYS 4 -11.688 -12.999 4.489 478 1HB LYS 4 2HB LYS 4 -11.118 -14.871 2.723 479 2HB LYS 4 1HB LYS 4 -12.692 -14.839 3.512 480 1HG LYS 4 2HG LYS 4 -13.797 -14.115 1.609 481 2HG LYS 4 1HG LYS 4 -12.392 -13.265 0.978 482 1HD LYS 4 2HD LYS 4 -12.840 -15.241 -0.393 483 2HD LYS 4 1HD LYS 4 -11.320 -15.456 0.478 484 1HE LYS 4 2HE LYS 4 -12.294 -16.911 2.055 485 2HE LYS 4 1HE LYS 4 -13.930 -16.448 1.599 486 1HZ LYS 4 1HZ LYS 4 -12.041 -17.817 -0.232 487 2HZ LYS 4 2HZ LYS 4 -13.699 -17.540 -0.482 488 3HZ LYS 4 3HZ LYS 4 -13.188 -18.637 0.710 489 H PHE 5 H PHE 5 -11.205 -11.890 1.226 490 HA PHE 5 HA PHE 5 -8.454 -12.275 0.992 491 1HB PHE 5 2HB PHE 5 -10.493 -10.600 -0.400 492 2HB PHE 5 1HB PHE 5 -8.789 -10.258 -0.701 493 HD1 PHE 5 1HD PHE 5 -8.275 -11.170 -2.805 494 HD2 PHE 5 2HD PHE 5 -10.554 -13.479 0.017 495 HE1 PHE 5 1HE PHE 5 -8.150 -13.130 -4.311 496 HE2 PHE 5 2HE PHE 5 -10.429 -15.439 -1.500 497 HZ PHE 5 HZ PHE 5 -9.222 -15.268 -3.657 498 H ASN 6 H ASN 6 -9.800 -10.361 3.329 499 HA ASN 6 HA ASN 6 -8.403 -7.916 3.186 500 1HB ASN 6 2HB ASN 6 -10.121 -8.654 4.960 501 2HB ASN 6 1HB ASN 6 -8.781 -9.467 5.758 502 1HD2 ASN 6 1HD2 ASN 6 -6.683 -7.627 5.469 503 2HD2 ASN 6 2HD2 ASN 6 -7.093 -6.168 6.232 504 H LYS 7 H LYS 7 -7.419 -11.053 4.512 505 HA LYS 7 HA LYS 7 -4.803 -10.335 5.314 506 1HB LYS 7 2HB LYS 7 -5.732 -12.386 6.124 507 2HB LYS 7 1HB LYS 7 -6.090 -12.951 4.495 508 1HG LYS 7 2HG LYS 7 -3.248 -12.352 4.813 509 2HG LYS 7 1HG LYS 7 -3.790 -13.538 5.993 510 1HD LYS 7 2HD LYS 7 -4.484 -13.782 3.066 511 2HD LYS 7 1HD LYS 7 -2.977 -14.422 3.711 512 1HE LYS 7 2HE LYS 7 -4.127 -15.935 5.163 513 2HE LYS 7 1HE LYS 7 -5.675 -15.135 4.887 514 1HZ LYS 7 1HZ LYS 7 -4.731 -15.833 2.393 515 2HZ LYS 7 2HZ LYS 7 -6.004 -16.566 3.247 516 3HZ LYS 7 3HZ LYS 7 -4.426 -17.183 3.374 517 H GLU 8 H GLU 8 -6.074 -11.804 2.371 518 HA GLU 8 HA GLU 8 -3.671 -12.036 0.920 519 1HB GLU 8 2HB GLU 8 -6.585 -11.843 0.091 520 2HB GLU 8 1HB GLU 8 -5.278 -12.172 -1.052 521 1HG GLU 8 2HG GLU 8 -5.838 -13.822 1.439 522 2HG GLU 8 1HG GLU 8 -6.384 -14.256 -0.184 523 H ARG 9 H ARG 9 -5.967 -9.423 1.268 524 HA ARG 9 HA ARG 9 -5.152 -7.822 -0.888 525 1HB ARG 9 2HB ARG 9 -7.298 -7.601 0.324 526 2HB ARG 9 1HB ARG 9 -6.425 -7.013 1.738 527 1HG ARG 9 2HG ARG 9 -5.612 -5.092 0.492 528 2HG ARG 9 1HG ARG 9 -6.334 -5.709 -0.987 529 1HD ARG 9 2HD ARG 9 -7.827 -4.042 -0.093 530 2HD ARG 9 1HD ARG 9 -8.573 -5.617 0.151 531 HE ARG 9 HE ARG 9 -6.973 -4.602 2.374 532 1HH1 ARG 9 1HH1 ARG 9 -9.967 -3.857 1.002 533 2HH1 ARG 9 2HH1 ARG 9 -10.895 -4.160 2.433 534 1HH2 ARG 9 1HH2 ARG 9 -8.225 -5.474 4.201 535 2HH2 ARG 9 2HH2 ARG 9 -9.909 -5.071 4.242 536 H VAL 10 H VAL 10 -4.226 -7.965 2.525 537 HA VAL 10 HA VAL 10 -2.572 -5.703 2.676 538 HB VAL 10 HB VAL 10 -2.116 -8.280 4.153 539 1HG1 VAL 10 1HG1 VAL 10 -1.507 -6.497 5.961 540 2HG1 VAL 10 2HG1 VAL 10 -1.309 -5.440 4.562 541 3HG1 VAL 10 3HG1 VAL 10 -0.360 -6.910 4.688 542 1HG2 VAL 10 1HG2 VAL 10 -3.662 -6.532 5.762 543 2HG2 VAL 10 2HG2 VAL 10 -4.141 -8.094 5.099 544 3HG2 VAL 10 3HG2 VAL 10 -4.477 -6.623 4.193 545 H ILE 11 H ILE 11 -1.927 -9.007 1.684 546 HA ILE 11 HA ILE 11 0.889 -8.776 1.513 547 HB ILE 11 HB ILE 11 -0.797 -10.690 -0.098 548 1HG1 ILE 11 2HG1 ILE 11 -0.660 -10.337 2.801 549 2HG1 ILE 11 1HG1 ILE 11 -1.707 -11.387 1.859 550 1HG2 ILE 11 1HG2 ILE 11 1.889 -11.034 1.285 551 2HG2 ILE 11 2HG2 ILE 11 1.730 -10.534 -0.404 552 3HG2 ILE 11 3HG2 ILE 11 1.150 -12.119 0.105 553 1HD1 ILE 11 1HD1 ILE 11 1.124 -12.001 2.762 554 2HD1 ILE 11 2HD1 ILE 11 0.173 -13.040 1.696 555 3HD1 ILE 11 3HD1 ILE 11 -0.359 -12.757 3.352 556 H ALA 12 H ALA 12 -1.706 -8.261 -0.894 557 HA ALA 12 HA ALA 12 -0.026 -7.918 -3.126 558 1HB ALA 12 1HB ALA 12 -2.283 -8.183 -3.680 559 2HB ALA 12 2HB ALA 12 -2.098 -6.432 -3.795 560 3HB ALA 12 3HB ALA 12 -2.822 -7.152 -2.358 561 H ILE 13 H ILE 13 -1.530 -5.666 -0.852 562 HA ILE 13 HA ILE 13 -0.430 -3.282 -1.860 563 HB ILE 13 HB ILE 13 -1.004 -4.000 1.041 564 1HG1 ILE 13 2HG1 ILE 13 -2.868 -2.610 -0.854 565 2HG1 ILE 13 1HG1 ILE 13 -2.856 -4.365 -0.732 566 1HG2 ILE 13 1HG2 ILE 13 -0.953 -1.347 -0.415 567 2HG2 ILE 13 2HG2 ILE 13 0.168 -1.866 0.830 568 3HG2 ILE 13 3HG2 ILE 13 -1.528 -1.583 1.236 569 1HD1 ILE 13 1HD1 ILE 13 -3.280 -2.434 1.538 570 2HD1 ILE 13 2HD1 ILE 13 -3.257 -4.185 1.691 571 3HD1 ILE 13 3HD1 ILE 13 -4.539 -3.399 0.772 572 H GLY 14 H GLY 14 0.752 -5.839 0.150 573 1HA GLY 14 2HA GLY 14 3.149 -4.622 1.036 574 2HA GLY 14 1HA GLY 14 2.807 -6.346 0.969 575 H GLU 15 H GLU 15 2.427 -6.744 -1.731 576 HA GLU 15 HA GLU 15 5.122 -6.887 -2.616 577 1HB GLU 15 2HB GLU 15 3.169 -8.479 -3.115 578 2HB GLU 15 1HB GLU 15 2.679 -7.304 -4.317 579 1HG GLU 15 2HG GLU 15 4.201 -9.303 -5.029 580 2HG GLU 15 1HG GLU 15 4.522 -7.706 -5.689 581 H ILE 16 H ILE 16 2.308 -4.965 -3.556 582 HA ILE 16 HA ILE 16 3.418 -3.704 -5.812 583 HB ILE 16 HB ILE 16 1.712 -2.145 -3.881 584 1HG1 ILE 16 2HG1 ILE 16 1.121 -4.794 -4.933 585 2HG1 ILE 16 1HG1 ILE 16 0.247 -3.822 -3.757 586 1HG2 ILE 16 1HG2 ILE 16 0.709 -1.264 -5.911 587 2HG2 ILE 16 2HG2 ILE 16 1.613 -2.407 -6.895 588 3HG2 ILE 16 3HG2 ILE 16 2.459 -1.133 -6.032 589 1HD1 ILE 16 1HD1 ILE 16 -0.015 -3.792 -6.728 590 2HD1 ILE 16 2HD1 ILE 16 -0.715 -2.566 -5.667 591 3HD1 ILE 16 3HD1 ILE 16 -1.218 -4.250 -5.528 592 H MET 17 H MET 17 3.346 -2.625 -2.471 593 HA MET 17 HA MET 17 4.941 -0.313 -2.691 594 1HB MET 17 2HB MET 17 4.576 -2.189 -0.373 595 2HB MET 17 1HB MET 17 5.154 -0.517 -0.296 596 1HG MET 17 2HG MET 17 2.483 -1.261 -1.511 597 2HG MET 17 1HG MET 17 2.660 -0.813 0.182 598 1HE MET 17 1HE MET 17 3.354 2.368 0.622 599 2HE MET 17 2HE MET 17 4.877 2.058 -0.216 600 3HE MET 17 3HE MET 17 4.160 0.791 0.805 601 H ARG 18 H ARG 18 5.765 -3.725 -2.302 602 HA ARG 18 HA ARG 18 8.555 -3.329 -1.853 603 1HB ARG 18 2HB ARG 18 6.802 -5.629 -2.422 604 2HB ARG 18 1HB ARG 18 8.531 -5.825 -2.656 605 1HG ARG 18 2HG ARG 18 8.342 -4.484 -0.221 606 2HG ARG 18 1HG ARG 18 7.005 -5.621 -0.161 607 1HD ARG 18 2HD ARG 18 9.831 -6.331 -0.888 608 2HD ARG 18 1HD ARG 18 9.137 -6.542 0.717 609 HE ARG 18 HE ARG 18 7.458 -8.046 -0.469 610 1HH1 ARG 18 1HH1 ARG 18 9.919 -9.578 0.013 611 2HH1 ARG 18 2HH1 ARG 18 10.345 -10.164 -1.559 612 1HH2 ARG 18 1HH2 ARG 18 8.325 -7.903 -3.233 613 2HH2 ARG 18 2HH2 ARG 18 9.442 -9.214 -3.398 614 H LEU 19 H LEU 19 6.543 -3.797 -4.728 615 HA LEU 19 HA LEU 19 8.536 -4.383 -6.612 616 1HB LEU 19 2HB LEU 19 5.964 -2.845 -6.905 617 2HB LEU 19 1HB LEU 19 6.986 -3.230 -8.257 618 HG LEU 19 HG LEU 19 5.833 -5.313 -6.392 619 1HD1 LEU 19 1HD1 LEU 19 4.108 -5.685 -8.010 620 2HD1 LEU 19 2HD1 LEU 19 4.864 -4.579 -9.159 621 3HD1 LEU 19 3HD1 LEU 19 4.125 -3.961 -7.688 622 1HD2 LEU 19 1HD2 LEU 19 6.434 -6.094 -9.115 623 2HD2 LEU 19 2HD2 LEU 19 6.995 -6.797 -7.599 624 3HD2 LEU 19 3HD2 LEU 19 7.855 -5.437 -8.308 625 HA PRO 20 HA PRO 20 10.643 -0.451 -6.176 626 1HB PRO 20 2HB PRO 20 12.764 -1.491 -7.826 627 2HB PRO 20 1HB PRO 20 12.753 -1.222 -6.081 628 1HG PRO 20 2HG PRO 20 12.860 -3.668 -7.301 629 2HG PRO 20 1HG PRO 20 12.308 -3.380 -5.643 630 1HD PRO 20 2HD PRO 20 10.698 -3.843 -8.114 631 2HD PRO 20 1HD PRO 20 10.391 -4.355 -6.439 632 H ASN 21 H ASN 21 9.360 -1.785 -9.059 633 HA ASN 21 HA ASN 21 10.382 0.452 -10.686 634 1HB ASN 21 2HB ASN 21 8.868 -1.988 -11.588 635 2HB ASN 21 1HB ASN 21 9.630 -0.788 -12.612 636 1HD2 ASN 21 1HD2 ASN 21 10.199 -3.774 -12.186 637 2HD2 ASN 21 2HD2 ASN 21 11.864 -3.828 -11.862 638 H LEU 22 H LEU 22 7.502 -0.526 -9.001 639 HA LEU 22 HA LEU 22 5.643 0.813 -10.714 640 1HB LEU 22 2HB LEU 22 5.356 0.109 -7.799 641 2HB LEU 22 1HB LEU 22 4.065 0.713 -8.811 642 HG LEU 22 HG LEU 22 5.521 -1.920 -9.009 643 1HD1 LEU 22 1HD1 LEU 22 3.657 -2.027 -7.529 644 2HD1 LEU 22 2HD1 LEU 22 3.069 -2.693 -9.056 645 3HD1 LEU 22 3HD1 LEU 22 2.657 -1.042 -8.593 646 1HD2 LEU 22 1HD2 LEU 22 5.412 -1.264 -11.250 647 2HD2 LEU 22 2HD2 LEU 22 3.865 -0.431 -11.009 648 3HD2 LEU 22 3HD2 LEU 22 3.930 -2.184 -11.017 649 H ASN 23 H ASN 23 4.453 2.670 -10.298 650 HA ASN 23 HA ASN 23 6.062 4.885 -9.290 651 1HB ASN 23 2HB ASN 23 5.195 5.544 -11.303 652 2HB ASN 23 1HB ASN 23 3.854 4.455 -11.213 653 1HD2 ASN 23 1HD2 ASN 23 4.927 7.301 -9.314 654 2HD2 ASN 23 2HD2 ASN 23 3.420 8.069 -9.368 655 H SER 24 H SER 24 5.103 6.459 -7.808 656 HA SER 24 HA SER 24 3.889 5.318 -5.541 657 1HB SER 24 2HB SER 24 3.634 7.602 -4.745 658 2HB SER 24 1HB SER 24 5.179 7.459 -5.573 659 HG SER 24 HG SER 24 3.956 8.212 -7.482 660 H LEU 25 H LEU 25 2.554 7.183 -8.222 661 HA LEU 25 HA LEU 25 -0.136 7.124 -7.333 662 1HB LEU 25 2HB LEU 25 1.310 8.293 -9.501 663 2HB LEU 25 1HB LEU 25 -0.073 7.448 -10.133 664 HG LEU 25 HG LEU 25 -0.150 9.441 -7.911 665 1HD1 LEU 25 1HD1 LEU 25 -1.299 10.893 -9.552 666 2HD1 LEU 25 2HD1 LEU 25 -1.038 9.671 -10.796 667 3HD1 LEU 25 3HD1 LEU 25 0.339 10.504 -10.075 668 1HD2 LEU 25 1HD2 LEU 25 -2.049 7.513 -9.045 669 2HD2 LEU 25 2HD2 LEU 25 -2.699 9.142 -8.841 670 3HD2 LEU 25 3HD2 LEU 25 -2.037 8.273 -7.455 671 H GLN 26 H GLN 26 1.809 5.048 -9.457 672 HA GLN 26 HA GLN 26 -0.325 3.513 -10.491 673 1HB GLN 26 2HB GLN 26 2.602 2.992 -10.071 674 2HB GLN 26 1HB GLN 26 1.538 1.733 -10.686 675 1HG GLN 26 2HG GLN 26 0.886 3.191 -12.566 676 2HG GLN 26 1HG GLN 26 1.945 4.467 -11.945 677 1HE2 GLN 26 1HE2 GLN 26 3.560 1.689 -11.186 678 2HE2 GLN 26 2HE2 GLN 26 4.491 1.515 -12.590 679 H VAL 27 H VAL 27 1.724 3.242 -7.665 680 HA VAL 27 HA VAL 27 0.736 0.783 -6.715 681 HB VAL 27 HB VAL 27 2.106 3.069 -5.299 682 1HG1 VAL 27 1HG1 VAL 27 1.306 2.012 -3.428 683 2HG1 VAL 27 2HG1 VAL 27 2.608 0.875 -3.769 684 3HG1 VAL 27 3HG1 VAL 27 0.964 0.512 -4.289 685 1HG2 VAL 27 1HG2 VAL 27 2.979 1.135 -7.153 686 2HG2 VAL 27 2HG2 VAL 27 3.534 0.555 -5.585 687 3HG2 VAL 27 3HG2 VAL 27 3.998 2.160 -6.142 688 H VAL 28 H VAL 28 -0.123 4.137 -6.076 689 HA VAL 28 HA VAL 28 -2.191 3.591 -4.236 690 HB VAL 28 HB VAL 28 -1.864 5.923 -6.150 691 1HG1 VAL 28 1HG1 VAL 28 -3.247 6.402 -3.627 692 2HG1 VAL 28 2HG1 VAL 28 -4.060 5.179 -4.601 693 3HG1 VAL 28 3HG1 VAL 28 -3.759 6.781 -5.273 694 1HG2 VAL 28 1HG2 VAL 28 -0.311 6.765 -4.726 695 2HG2 VAL 28 2HG2 VAL 28 -0.241 5.168 -3.980 696 3HG2 VAL 28 3HG2 VAL 28 -1.309 6.403 -3.315 697 H ALA 29 H ALA 29 -1.962 3.651 -7.746 698 HA ALA 29 HA ALA 29 -4.692 3.582 -8.435 699 1HB ALA 29 1HB ALA 29 -2.892 1.912 -10.094 700 2HB ALA 29 2HB ALA 29 -2.308 3.557 -9.830 701 3HB ALA 29 3HB ALA 29 -3.893 3.293 -10.556 702 H PHE 30 H PHE 30 -2.319 1.077 -7.733 703 HA PHE 30 HA PHE 30 -4.108 -1.082 -8.054 704 1HB PHE 30 2HB PHE 30 -1.359 -0.853 -6.782 705 2HB PHE 30 1HB PHE 30 -2.214 -2.374 -7.043 706 HD1 PHE 30 1HD PHE 30 -3.395 -2.246 -9.700 707 HD2 PHE 30 2HD PHE 30 0.376 -0.583 -8.371 708 HE1 PHE 30 1HE PHE 30 -2.575 -2.184 -12.002 709 HE2 PHE 30 2HE PHE 30 1.147 -0.552 -10.689 710 HZ PHE 30 HZ PHE 30 -0.314 -1.361 -12.513 711 H ILE 31 H ILE 31 -2.838 0.660 -5.181 712 HA ILE 31 HA ILE 31 -4.062 -0.932 -3.207 713 HB ILE 31 HB ILE 31 -3.393 2.025 -3.181 714 1HG1 ILE 31 2HG1 ILE 31 -1.898 -0.265 -1.876 715 2HG1 ILE 31 1HG1 ILE 31 -1.507 0.299 -3.493 716 1HG2 ILE 31 1HG2 ILE 31 -4.219 0.127 -0.975 717 2HG2 ILE 31 2HG2 ILE 31 -4.985 1.647 -1.422 718 3HG2 ILE 31 3HG2 ILE 31 -3.394 1.652 -0.660 719 1HD1 ILE 31 1HD1 ILE 31 -1.465 1.956 -0.951 720 2HD1 ILE 31 2HD1 ILE 31 -1.200 2.602 -2.574 721 3HD1 ILE 31 3HD1 ILE 31 -0.052 1.442 -1.887 722 H ASN 32 H ASN 32 -5.153 2.008 -4.830 723 HA ASN 32 HA ASN 32 -7.651 2.281 -3.602 724 1HB ASN 32 2HB ASN 32 -6.447 3.971 -5.033 725 2HB ASN 32 1HB ASN 32 -6.941 3.041 -6.440 726 1HD2 ASN 32 1HD2 ASN 32 -8.232 4.846 -7.180 727 2HD2 ASN 32 2HD2 ASN 32 -9.717 5.227 -6.452 728 H SER 33 H SER 33 -6.566 0.163 -6.210 729 HA SER 33 HA SER 33 -9.210 -0.470 -7.078 730 1HB SER 33 2HB SER 33 -6.477 -1.335 -7.774 731 2HB SER 33 1HB SER 33 -7.830 -2.368 -8.238 732 HG SER 33 HG SER 33 -7.403 0.370 -8.858 733 H LEU 34 H LEU 34 -6.926 -1.721 -4.715 734 HA LEU 34 HA LEU 34 -8.222 -4.248 -4.330 735 1HB LEU 34 2HB LEU 34 -6.987 -2.804 -2.012 736 2HB LEU 34 1HB LEU 34 -6.950 -4.509 -2.398 737 HG LEU 34 HG LEU 34 -5.419 -2.332 -3.817 738 1HD1 LEU 34 1HD1 LEU 34 -4.697 -3.228 -1.500 739 2HD1 LEU 34 2HD1 LEU 34 -3.500 -3.103 -2.794 740 3HD1 LEU 34 3HD1 LEU 34 -4.212 -4.675 -2.394 741 1HD2 LEU 34 1HD2 LEU 34 -5.743 -5.250 -4.353 742 2HD2 LEU 34 2HD2 LEU 34 -4.301 -4.401 -4.860 743 3HD2 LEU 34 3HD2 LEU 34 -5.878 -3.909 -5.464 744 H ARG 35 H ARG 35 -8.461 -1.017 -2.957 745 HA ARG 35 HA ARG 35 -10.565 -1.375 -1.105 746 1HB ARG 35 2HB ARG 35 -9.359 0.876 -2.600 747 2HB ARG 35 1HB ARG 35 -11.044 1.126 -2.179 748 1HG ARG 35 2HG ARG 35 -10.408 1.715 -0.113 749 2HG ARG 35 1HG ARG 35 -9.787 0.091 0.150 750 1HD ARG 35 2HD ARG 35 -7.725 1.051 -1.246 751 2HD ARG 35 1HD ARG 35 -8.344 2.584 -0.644 752 HE ARG 35 HE ARG 35 -7.089 0.485 0.919 753 1HH1 ARG 35 1HH2 ARG 35 -9.532 2.889 1.190 754 2HH1 ARG 35 2HH2 ARG 35 -8.997 3.440 2.741 755 1HH2 ARG 35 1HH1 ARG 35 -6.220 1.373 2.801 756 2HH2 ARG 35 2HH1 ARG 35 -7.108 2.598 3.638 757 H ASP 36 H ASP 36 -10.574 -0.589 -4.554 758 HA ASP 36 HA ASP 36 -13.377 -0.412 -4.924 759 1HB ASP 36 2HB ASP 36 -11.683 0.512 -6.489 760 2HB ASP 36 1HB ASP 36 -11.218 -1.128 -6.934 761 H ASP 37 H ASP 37 -11.072 -3.060 -5.157 762 HA ASP 37 HA ASP 37 -13.224 -5.029 -5.007 763 1HB ASP 37 2HB ASP 37 -11.666 -4.472 -7.452 764 2HB ASP 37 1HB ASP 37 -11.705 -6.164 -6.983 765 HA PRO 38 HA PRO 38 -9.655 -6.265 -2.503 766 1HB PRO 38 2HB PRO 38 -11.539 -7.596 -0.791 767 2HB PRO 38 1HB PRO 38 -10.558 -6.174 -0.445 768 1HG PRO 38 2HG PRO 38 -13.314 -6.238 -0.746 769 2HG PRO 38 1HG PRO 38 -12.292 -4.796 -0.754 770 1HD PRO 38 2HD PRO 38 -13.596 -6.172 -3.015 771 2HD PRO 38 1HD PRO 38 -13.013 -4.498 -2.891 772 H SER 39 H SER 39 -12.336 -7.988 -3.890 773 HA SER 39 HA SER 39 -11.419 -10.651 -3.439 774 1HB SER 39 2HB SER 39 -13.068 -11.273 -5.141 775 2HB SER 39 1HB SER 39 -13.769 -10.110 -4.021 776 HG SER 39 HG SER 39 -12.969 -8.509 -5.667 777 H GLN 40 H GLN 40 -10.984 -8.231 -5.959 778 HA GLN 40 HA GLN 40 -9.130 -9.996 -7.358 779 1HB GLN 40 2HB GLN 40 -9.669 -7.437 -8.643 780 2HB GLN 40 1HB GLN 40 -9.683 -9.048 -9.299 781 1HG GLN 40 2HG GLN 40 -11.923 -9.465 -8.639 782 2HG GLN 40 1HG GLN 40 -11.941 -8.093 -7.540 783 1HE2 GLN 40 1HE2 GLN 40 -10.972 -6.022 -9.085 784 2HE2 GLN 40 2HE2 GLN 40 -11.984 -5.761 -10.423 785 H SER 41 H SER 41 -8.653 -8.437 -4.783 786 HA SER 41 HA SER 41 -6.965 -6.272 -5.287 787 1HB SER 41 2HB SER 41 -7.585 -6.776 -2.997 788 2HB SER 41 1HB SER 41 -6.966 -8.423 -3.128 789 HG SER 41 HG SER 41 -5.638 -6.032 -2.682 790 H ALA 42 H ALA 42 -6.551 -9.671 -5.483 791 HA ALA 42 HA ALA 42 -3.728 -9.813 -5.819 792 1HB ALA 42 1HB ALA 42 -5.350 -11.643 -5.080 793 2HB ALA 42 2HB ALA 42 -4.118 -12.109 -6.258 794 3HB ALA 42 3HB ALA 42 -5.775 -11.800 -6.788 795 H ASN 43 H ASN 43 -6.440 -9.221 -7.912 796 HA ASN 43 HA ASN 43 -5.322 -9.946 -10.395 797 1HB ASN 43 2HB ASN 43 -7.722 -9.596 -9.722 798 2HB ASN 43 1HB ASN 43 -7.402 -7.881 -9.975 799 1HD2 ASN 43 1HD2 ASN 43 -6.366 -7.387 -12.229 800 2HD2 ASN 43 2HD2 ASN 43 -6.954 -8.280 -13.546 801 H LEU 44 H LEU 44 -5.896 -6.758 -8.948 802 HA LEU 44 HA LEU 44 -4.386 -5.520 -10.985 803 1HB LEU 44 2HB LEU 44 -4.946 -3.417 -10.019 804 2HB LEU 44 1HB LEU 44 -6.365 -4.431 -10.007 805 HG LEU 44 HG LEU 44 -6.023 -3.080 -7.988 806 1HD1 LEU 44 1HD1 LEU 44 -7.126 -4.566 -6.736 807 2HD1 LEU 44 2HD1 LEU 44 -5.956 -5.858 -7.055 808 3HD1 LEU 44 3HD1 LEU 44 -7.170 -5.453 -8.260 809 1HD2 LEU 44 1HD2 LEU 44 -4.058 -4.961 -6.916 810 2HD2 LEU 44 2HD2 LEU 44 -4.297 -3.253 -6.589 811 3HD2 LEU 44 3HD2 LEU 44 -3.457 -3.738 -8.035 812 H LEU 45 H LEU 45 -3.839 -6.868 -7.934 813 HA LEU 45 HA LEU 45 -1.307 -5.779 -7.239 814 1HB LEU 45 2HB LEU 45 -2.449 -7.100 -5.614 815 2HB LEU 45 1HB LEU 45 -2.783 -8.367 -6.760 816 HG LEU 45 HG LEU 45 -1.100 -9.011 -5.083 817 1HD1 LEU 45 1HD1 LEU 45 0.540 -8.969 -7.528 818 2HD1 LEU 45 2HD1 LEU 45 -1.062 -9.689 -7.662 819 3HD1 LEU 45 3HD1 LEU 45 0.082 -10.304 -6.477 820 1HD2 LEU 45 1HD2 LEU 45 -0.155 -6.688 -4.880 821 2HD2 LEU 45 2HD2 LEU 45 0.741 -7.004 -6.372 822 3HD2 LEU 45 3HD2 LEU 45 1.022 -7.994 -4.937 823 H ALA 46 H ALA 46 -2.622 -8.262 -9.235 824 HA ALA 46 HA ALA 46 -0.232 -9.445 -10.192 825 1HB ALA 46 1HB ALA 46 -1.751 -10.843 -11.132 826 2HB ALA 46 2HB ALA 46 -2.336 -9.543 -12.167 827 3HB ALA 46 3HB ALA 46 -3.052 -9.786 -10.575 828 H GLU 47 H GLU 47 -2.396 -6.907 -11.336 829 HA GLU 47 HA GLU 47 -1.113 -6.186 -13.716 830 1HB GLU 47 2HB GLU 47 -2.716 -4.499 -11.774 831 2HB GLU 47 1HB GLU 47 -2.200 -3.950 -13.359 832 1HG GLU 47 2HG GLU 47 -4.040 -6.263 -12.754 833 2HG GLU 47 1HG GLU 47 -4.498 -4.706 -13.424 834 H ALA 48 H ALA 48 -0.517 -5.407 -10.360 835 HA ALA 48 HA ALA 48 1.250 -3.223 -10.759 836 1HB ALA 48 1HB ALA 48 0.019 -4.659 -8.652 837 2HB ALA 48 2HB ALA 48 0.937 -3.152 -8.554 838 3HB ALA 48 3HB ALA 48 1.764 -4.702 -8.368 839 H LYS 49 H LYS 49 1.709 -6.618 -9.935 840 HA LYS 49 HA LYS 49 4.523 -6.575 -9.911 841 1HB LYS 49 2HB LYS 49 2.470 -8.708 -10.292 842 2HB LYS 49 1HB LYS 49 4.191 -9.087 -10.427 843 1HG LYS 49 2HG LYS 49 4.360 -7.788 -8.155 844 2HG LYS 49 1HG LYS 49 2.629 -8.115 -8.056 845 1HD LYS 49 2HD LYS 49 3.900 -10.548 -8.851 846 2HD LYS 49 1HD LYS 49 4.833 -9.892 -7.507 847 1HE LYS 49 2HE LYS 49 2.481 -9.503 -6.423 848 2HE LYS 49 1HE LYS 49 1.956 -10.721 -7.583 849 1HZ LYS 49 1HZ LYS 49 3.471 -12.283 -6.703 850 2HZ LYS 49 2HZ LYS 49 2.679 -11.593 -5.368 851 3HZ LYS 49 3HZ LYS 49 4.260 -11.112 -5.763 852 H LYS 50 H LYS 50 2.161 -6.910 -12.431 853 HA LYS 50 HA LYS 50 3.958 -7.478 -14.588 854 1HB LYS 50 2HB LYS 50 1.123 -6.497 -14.474 855 2HB LYS 50 1HB LYS 50 1.992 -6.695 -15.993 856 1HG LYS 50 2HG LYS 50 2.489 -9.101 -15.193 857 2HG LYS 50 1HG LYS 50 1.234 -8.834 -13.990 858 1HD LYS 50 2HD LYS 50 0.859 -8.530 -16.987 859 2HD LYS 50 1HD LYS 50 0.359 -9.933 -16.049 860 1HE LYS 50 2HE LYS 50 -0.651 -7.104 -15.600 861 2HE LYS 50 1HE LYS 50 -1.525 -8.362 -16.468 862 1HZ LYS 50 1HZ LYS 50 -0.585 -8.711 -13.684 863 2HZ LYS 50 2HZ LYS 50 -1.711 -9.655 -14.536 864 3HZ LYS 50 3HZ LYS 50 -2.112 -8.075 -14.058 865 H LEU 51 H LEU 51 2.500 -4.559 -13.226 866 HA LEU 51 HA LEU 51 3.448 -2.794 -15.251 867 1HB LEU 51 2HB LEU 51 2.052 -2.549 -12.703 868 2HB LEU 51 1HB LEU 51 3.256 -1.284 -12.910 869 HG LEU 51 HG LEU 51 0.998 -0.719 -13.836 870 1HD1 LEU 51 1HD1 LEU 51 3.583 -0.661 -15.315 871 2HD1 LEU 51 2HD1 LEU 51 2.559 0.674 -14.752 872 3HD1 LEU 51 3HD1 LEU 51 2.135 -0.208 -16.222 873 1HD2 LEU 51 1HD2 LEU 51 1.334 -3.303 -15.059 874 2HD2 LEU 51 2HD2 LEU 51 1.239 -2.092 -16.339 875 3HD2 LEU 51 3HD2 LEU 51 -0.059 -2.223 -15.150 876 H ASN 52 H ASN 52 4.640 -3.883 -12.182 877 HA ASN 52 HA ASN 52 6.969 -2.274 -12.070 878 1HB ASN 52 2HB ASN 52 6.266 -3.477 -10.105 879 2HB ASN 52 1HB ASN 52 6.359 -5.017 -10.946 880 1HD2 ASN 52 1HD2 ASN 52 8.560 -5.714 -11.636 881 2HD2 ASN 52 2HD2 ASN 52 9.912 -5.207 -10.746 882 H ASP 53 H ASP 53 6.101 -5.339 -13.494 883 HA ASP 53 HA ASP 53 8.694 -5.987 -14.517 884 1HB ASP 53 2HB ASP 53 6.762 -7.611 -14.251 885 2HB ASP 53 1HB ASP 53 6.042 -6.861 -15.674 886 H ALA 54 H ALA 54 5.936 -4.176 -15.662 887 HA ALA 54 HA ALA 54 6.698 -3.804 -18.351 888 1HB ALA 54 1HB ALA 54 4.441 -3.369 -17.136 889 2HB ALA 54 2HB ALA 54 4.915 -2.310 -18.466 890 3HB ALA 54 3HB ALA 54 5.126 -1.778 -16.798 891 H GLN 55 H GLN 55 7.343 -2.016 -15.377 892 HA GLN 55 HA GLN 55 8.902 0.011 -16.775 893 1HB GLN 55 2HB GLN 55 8.173 -0.409 -13.918 894 2HB GLN 55 1HB GLN 55 9.140 0.941 -14.479 895 1HG GLN 55 2HG GLN 55 7.350 1.924 -15.583 896 2HG GLN 55 1HG GLN 55 6.515 0.386 -15.808 897 1HE2 GLN 55 1HE2 GLN 55 6.039 -0.695 -13.484 898 2HE2 GLN 55 2HE2 GLN 55 5.301 0.358 -12.380 899 H ALA 56 H ALA 56 9.419 -3.052 -15.490 900 HA ALA 56 HA ALA 56 12.017 -2.701 -14.335 901 1HB ALA 56 1HB ALA 56 10.604 -4.687 -13.851 902 2HB ALA 56 2HB ALA 56 12.192 -5.136 -14.460 903 3HB ALA 56 3HB ALA 56 10.791 -5.205 -15.522 904 HA PRO 57 HA PRO 57 14.492 -2.764 -17.934 905 1HB PRO 57 2HB PRO 57 16.644 -4.245 -16.716 906 2HB PRO 57 1HB PRO 57 16.479 -2.491 -16.878 907 1HG PRO 57 2HG PRO 57 16.422 -3.831 -14.499 908 2HG PRO 57 1HG PRO 57 15.684 -2.244 -14.780 909 1HD PRO 57 2HD PRO 57 14.388 -4.953 -14.791 910 2HD PRO 57 1HD PRO 57 13.808 -3.432 -14.068 911 H LYS 58 H LYS 58 15.685 -4.143 -19.457 912 HA LYS 58 HA LYS 58 14.976 -6.984 -19.401 913 1HB LYS 58 2HB LYS 58 14.202 -4.941 -21.401 914 2HB LYS 58 1HB LYS 58 14.547 -6.561 -21.962 915 1HG LYS 58 2HG LYS 58 12.345 -6.941 -21.471 916 2HG LYS 58 1HG LYS 58 12.933 -7.101 -19.818 917 1HD LYS 58 2HD LYS 58 12.603 -4.538 -19.649 918 2HD LYS 58 1HD LYS 58 11.656 -4.692 -21.127 919 1HE LYS 58 2HE LYS 58 9.998 -4.923 -19.506 920 2HE LYS 58 1HE LYS 58 10.427 -6.610 -19.793 921 1HZ LYS 58 1HZ LYS 58 11.037 -4.895 -17.502 922 2HZ LYS 58 2HZ LYS 58 12.176 -6.080 -17.930 923 3HZ LYS 58 3HZ LYS 58 10.583 -6.529 -17.539 Start of MODEL 38 1 1H VAL 1 1HT VAL 1 9.226 -17.623 5.866 2 2H VAL 1 2HT VAL 1 10.058 -16.199 5.461 3 3H VAL 1 3HT VAL 1 10.485 -17.672 4.730 4 HA VAL 1 HA VAL 1 9.167 -16.184 3.274 5 HB VAL 1 HB VAL 1 7.541 -17.991 2.606 6 1HG1 VAL 1 1HG1 VAL 1 10.316 -19.020 3.278 7 2HG1 VAL 1 2HG1 VAL 1 9.949 -17.982 1.901 8 3HG1 VAL 1 3HG1 VAL 1 9.256 -19.600 1.995 9 1HG2 VAL 1 1HG2 VAL 1 7.511 -20.083 3.863 10 2HG2 VAL 1 2HG2 VAL 1 7.063 -18.768 4.948 11 3HG2 VAL 1 3HG2 VAL 1 8.687 -19.452 5.015 12 H ASP 2 H ASP 2 8.340 -16.003 6.371 13 HA ASP 2 HA ASP 2 5.539 -15.818 6.498 14 1HB ASP 2 2HB ASP 2 7.602 -14.231 8.053 15 2HB ASP 2 1HB ASP 2 5.915 -14.467 8.508 16 H ASN 3 H ASN 3 8.001 -13.471 5.557 17 HA ASN 3 HA ASN 3 7.901 -11.407 4.567 18 1HB ASN 3 2HB ASN 3 5.221 -12.401 3.542 19 2HB ASN 3 1HB ASN 3 6.192 -11.104 2.854 20 1HD2 ASN 3 1HD2 ASN 3 5.369 -14.003 1.921 21 2HD2 ASN 3 2HD2 ASN 3 6.835 -14.627 1.336 22 H LYS 4 H LYS 4 7.111 -11.471 7.248 23 HA LYS 4 HA LYS 4 4.663 -10.239 7.854 24 1HB LYS 4 2HB LYS 4 6.226 -11.282 9.509 25 2HB LYS 4 1HB LYS 4 7.281 -9.879 9.334 26 1HG LYS 4 2HG LYS 4 5.414 -8.403 10.051 27 2HG LYS 4 1HG LYS 4 4.389 -9.824 10.263 28 1HD LYS 4 2HD LYS 4 6.056 -10.711 11.917 29 2HD LYS 4 1HD LYS 4 6.945 -9.192 11.773 30 1HE LYS 4 2HE LYS 4 4.939 -7.950 12.514 31 2HE LYS 4 1HE LYS 4 4.058 -9.471 12.668 32 1HZ LYS 4 1HZ LYS 4 4.977 -8.701 14.787 33 2HZ LYS 4 2HZ LYS 4 6.546 -8.787 14.140 34 3HZ LYS 4 3HZ LYS 4 5.623 -10.201 14.327 35 H PHE 5 H PHE 5 7.838 -8.803 7.140 36 HA PHE 5 HA PHE 5 7.114 -6.128 7.531 37 1HB PHE 5 2HB PHE 5 9.177 -5.555 6.581 38 2HB PHE 5 1HB PHE 5 9.471 -7.151 7.263 39 HD1 PHE 5 1HD PHE 5 9.300 -9.192 5.712 40 HD2 PHE 5 2HD PHE 5 9.449 -5.146 4.260 41 HE1 PHE 5 1HE PHE 5 9.951 -10.020 3.468 42 HE2 PHE 5 2HE PHE 5 10.102 -5.979 2.020 43 HZ PHE 5 HZ PHE 5 10.352 -8.414 1.623 44 H ASN 6 H ASN 6 6.937 -8.240 4.685 45 HA ASN 6 HA ASN 6 6.138 -6.275 2.792 46 1HB ASN 6 2HB ASN 6 6.925 -8.567 2.215 47 2HB ASN 6 1HB ASN 6 5.443 -9.214 2.907 48 1HD2 ASN 6 1HD2 ASN 6 4.034 -9.779 1.262 49 2HD2 ASN 6 2HD2 ASN 6 3.796 -8.883 -0.168 50 H LYS 7 H LYS 7 4.423 -8.498 4.905 51 HA LYS 7 HA LYS 7 1.801 -7.909 4.127 52 1HB LYS 7 2HB LYS 7 2.773 -9.815 5.627 53 2HB LYS 7 1HB LYS 7 2.581 -8.661 6.946 54 1HG LYS 7 2HG LYS 7 0.239 -8.531 6.639 55 2HG LYS 7 1HG LYS 7 0.327 -9.271 5.043 56 1HD LYS 7 2HD LYS 7 1.398 -11.275 6.502 57 2HD LYS 7 1HD LYS 7 0.357 -10.550 7.729 58 1HE LYS 7 2HE LYS 7 -0.541 -11.405 4.959 59 2HE LYS 7 1HE LYS 7 -0.841 -12.305 6.445 60 1HZ LYS 7 1HZ LYS 7 -1.653 -9.482 6.262 61 2HZ LYS 7 2HZ LYS 7 -2.304 -10.728 7.215 62 3HZ LYS 7 3HZ LYS 7 -2.623 -10.676 5.546 63 H GLU 8 H GLU 8 3.951 -6.578 6.582 64 HA GLU 8 HA GLU 8 2.053 -4.683 7.529 65 1HB GLU 8 2HB GLU 8 3.796 -5.496 8.989 66 2HB GLU 8 1HB GLU 8 5.047 -4.868 7.917 67 1HG GLU 8 2HG GLU 8 4.116 -2.555 8.317 68 2HG GLU 8 1HG GLU 8 3.010 -3.253 9.496 69 H LEU 9 H LEU 9 4.664 -4.611 5.222 70 HA LEU 9 HA LEU 9 4.785 -1.817 4.668 71 1HB LEU 9 2HB LEU 9 6.508 -3.317 3.834 72 2HB LEU 9 1HB LEU 9 5.318 -4.260 2.940 73 HG LEU 9 HG LEU 9 4.777 -2.039 1.716 74 1HD1 LEU 9 1HD1 LEU 9 7.508 -1.117 1.950 75 2HD1 LEU 9 2HD1 LEU 9 6.674 -1.011 3.506 76 3HD1 LEU 9 3HD1 LEU 9 6.011 -0.230 2.069 77 1HD2 LEU 9 1HD2 LEU 9 5.858 -3.866 0.610 78 2HD2 LEU 9 2HD2 LEU 9 7.403 -3.469 1.359 79 3HD2 LEU 9 3HD2 LEU 9 6.684 -2.373 0.175 80 H GLY 10 H GLY 10 2.756 -4.447 3.508 81 1HA GLY 10 2HA GLY 10 1.353 -2.841 1.654 82 2HA GLY 10 1HA GLY 10 0.898 -4.432 2.219 83 H TRP 11 H TRP 11 0.821 -3.995 4.954 84 HA TRP 11 HA TRP 11 -1.716 -2.841 5.108 85 1HB TRP 11 2HB TRP 11 -0.552 -4.716 6.589 86 2HB TRP 11 1HB TRP 11 -0.390 -3.312 7.654 87 HD1 TRP 11 HD TRP 11 -2.275 -3.950 9.291 88 HE1 TRP 11 1HE TRP 11 -4.847 -4.078 9.135 89 HE3 TRP 11 3HE TRP 11 -2.931 -3.630 4.219 90 HZ2 TRP 11 2HZ TRP 11 -6.889 -3.994 7.148 91 HZ3 TRP 11 3HZ TRP 11 -5.136 -3.628 3.223 92 HH2 TRP 11 HH TRP 11 -7.163 -3.829 4.680 93 H ALA 12 H ALA 12 1.298 -1.678 6.438 94 HA ALA 12 HA ALA 12 0.127 0.495 7.686 95 1HB ALA 12 1HB ALA 12 2.287 0.685 8.302 96 2HB ALA 12 2HB ALA 12 2.635 1.382 6.720 97 3HB ALA 12 3HB ALA 12 2.797 -0.355 6.979 98 H THR 13 H THR 13 1.146 -0.042 4.352 99 HA THR 13 HA THR 13 0.764 2.494 3.211 100 HB THR 13 HB THR 13 0.548 -0.322 2.236 101 HG1 THR 13 1HG THR 13 2.572 0.115 2.246 102 1HG2 THR 13 1HG2 THR 13 0.528 0.697 -0.075 103 2HG2 THR 13 2HG2 THR 13 0.047 2.215 0.684 104 3HG2 THR 13 3HG2 THR 13 -0.995 0.797 0.803 105 H TRP 14 H TRP 14 -1.507 -0.184 3.690 106 HA TRP 14 HA TRP 14 -3.805 1.017 2.551 107 1HB TRP 14 2HB TRP 14 -3.378 -1.409 3.194 108 2HB TRP 14 1HB TRP 14 -3.746 -0.939 4.835 109 HD1 TRP 14 HD TRP 14 -6.213 -0.719 5.504 110 HE1 TRP 14 1HE TRP 14 -8.424 -1.228 4.312 111 HE3 TRP 14 3HE TRP 14 -4.584 -0.921 0.662 112 HZ2 TRP 14 2HZ TRP 14 -9.364 -1.678 1.666 113 HZ3 TRP 14 3HZ TRP 14 -6.142 -1.387 -1.127 114 HH2 TRP 14 HH TRP 14 -8.510 -1.775 -0.651 115 H GLU 15 H GLU 15 -2.670 0.767 5.895 116 HA GLU 15 HA GLU 15 -4.855 2.040 7.115 117 1HB GLU 15 2HB GLU 15 -1.963 1.785 7.976 118 2HB GLU 15 1HB GLU 15 -3.279 2.317 9.027 119 1HG GLU 15 2HG GLU 15 -4.415 0.198 8.831 120 2HG GLU 15 1HG GLU 15 -3.353 -0.332 7.528 121 H ILE 16 H ILE 16 -1.877 3.278 5.702 122 HA ILE 16 HA ILE 16 -2.272 6.040 6.439 123 HB ILE 16 HB ILE 16 -0.617 4.716 4.238 124 1HG1 ILE 16 2HG1 ILE 16 0.303 5.921 6.842 125 2HG1 ILE 16 1HG1 ILE 16 -0.037 4.225 6.671 126 1HG2 ILE 16 1HG2 ILE 16 0.539 7.176 4.890 127 2HG2 ILE 16 2HG2 ILE 16 -1.183 7.529 4.755 128 3HG2 ILE 16 3HG2 ILE 16 -0.324 6.789 3.406 129 1HD1 ILE 16 1HD1 ILE 16 1.740 5.307 4.570 130 2HD1 ILE 16 2HD1 ILE 16 1.896 3.833 5.533 131 3HD1 ILE 16 3HD1 ILE 16 2.419 5.375 6.203 132 H PHE 17 H PHE 17 -3.090 3.925 3.778 133 HA PHE 17 HA PHE 17 -4.130 5.784 1.902 134 1HB PHE 17 2HB PHE 17 -3.550 3.146 1.872 135 2HB PHE 17 1HB PHE 17 -5.276 3.040 2.117 136 HD1 PHE 17 1HD PHE 17 -2.610 4.249 -0.158 137 HD2 PHE 17 2HD PHE 17 -6.818 3.583 0.364 138 HE1 PHE 17 1HE PHE 17 -2.947 4.516 -2.589 139 HE2 PHE 17 2HE PHE 17 -7.163 3.877 -2.070 140 HZ PHE 17 HZ PHE 17 -5.230 4.328 -3.535 141 H ASN 18 H ASN 18 -5.524 3.954 4.567 142 HA ASN 18 HA ASN 18 -8.229 4.903 4.068 143 1HB ASN 18 2HB ASN 18 -7.031 3.000 6.083 144 2HB ASN 18 1HB ASN 18 -8.731 3.457 6.089 145 1HD2 ASN 18 1HD2 ASN 18 -6.436 2.542 3.435 146 2HD2 ASN 18 2HD2 ASN 18 -7.460 1.357 2.781 147 H LEU 19 H LEU 19 -5.697 6.471 5.478 148 HA LEU 19 HA LEU 19 -6.829 7.198 7.978 149 1HB LEU 19 2HB LEU 19 -4.543 8.104 6.368 150 2HB LEU 19 1HB LEU 19 -5.224 9.325 7.438 151 HG LEU 19 HG LEU 19 -4.339 6.541 8.292 152 1HD1 LEU 19 1HD1 LEU 19 -2.430 7.865 7.794 153 2HD1 LEU 19 2HD1 LEU 19 -2.624 7.904 9.544 154 3HD1 LEU 19 3HD1 LEU 19 -3.135 9.279 8.570 155 1HD2 LEU 19 1HD2 LEU 19 -4.516 8.297 10.492 156 2HD2 LEU 19 2HD2 LEU 19 -5.580 6.935 10.134 157 3HD2 LEU 19 3HD2 LEU 19 -5.994 8.547 9.573 158 HA PRO 20 HA PRO 20 -9.917 9.916 6.360 159 1HB PRO 20 2HB PRO 20 -10.404 10.997 8.996 160 2HB PRO 20 1HB PRO 20 -11.355 9.808 8.093 161 1HG PRO 20 2HG PRO 20 -9.954 9.275 10.367 162 2HG PRO 20 1HG PRO 20 -10.360 8.065 9.138 163 1HD PRO 20 2HD PRO 20 -7.785 9.522 9.562 164 2HD PRO 20 1HD PRO 20 -8.059 7.829 9.138 165 H ASN 21 H ASN 21 -6.914 11.231 7.082 166 HA ASN 21 HA ASN 21 -8.027 13.907 6.443 167 1HB ASN 21 2HB ASN 21 -6.302 13.441 8.862 168 2HB ASN 21 1HB ASN 21 -6.651 15.018 8.188 169 1HD2 ASN 21 1HD2 ASN 21 -7.816 12.654 10.371 170 2HD2 ASN 21 2HD2 ASN 21 -9.369 13.302 10.590 171 H LEU 22 H LEU 22 -5.705 11.663 5.725 172 HA LEU 22 HA LEU 22 -3.549 13.516 5.147 173 1HB LEU 22 2HB LEU 22 -3.943 10.647 4.289 174 2HB LEU 22 1HB LEU 22 -2.458 11.583 4.104 175 HG LEU 22 HG LEU 22 -3.814 10.970 6.743 176 1HD1 LEU 22 1HD1 LEU 22 -2.859 8.959 5.987 177 2HD1 LEU 22 2HD1 LEU 22 -1.646 9.658 7.055 178 3HD1 LEU 22 3HD1 LEU 22 -1.454 9.773 5.308 179 1HD2 LEU 22 1HD2 LEU 22 -1.470 12.633 5.922 180 2HD2 LEU 22 2HD2 LEU 22 -1.346 11.709 7.416 181 3HD2 LEU 22 3HD2 LEU 22 -2.634 12.901 7.228 182 H ASN 23 H ASN 23 -2.814 14.166 3.096 183 HA ASN 23 HA ASN 23 -4.959 14.202 1.076 184 1HB ASN 23 2HB ASN 23 -3.921 16.097 0.107 185 2HB ASN 23 1HB ASN 23 -3.845 16.362 1.844 186 1HD2 ASN 23 1HD2 ASN 23 -2.051 17.362 -0.407 187 2HD2 ASN 23 2HD2 ASN 23 -0.486 16.911 0.069 188 H GLY 24 H GLY 24 -4.276 13.939 -1.204 189 1HA GLY 24 2HA GLY 24 -3.326 11.441 -1.744 190 2HA GLY 24 1HA GLY 24 -3.250 12.762 -2.899 191 H VAL 25 H VAL 25 -1.351 14.396 -1.482 192 HA VAL 25 HA VAL 25 1.049 13.130 -2.377 193 HB VAL 25 HB VAL 25 0.580 15.711 -0.895 194 1HG1 VAL 25 1HG1 VAL 25 3.085 14.368 -1.914 195 2HG1 VAL 25 2HG1 VAL 25 2.825 15.169 -0.362 196 3HG1 VAL 25 3HG1 VAL 25 2.981 16.128 -1.834 197 1HG2 VAL 25 1HG2 VAL 25 1.330 16.504 -3.262 198 2HG2 VAL 25 2HG2 VAL 25 -0.302 15.858 -3.093 199 3HG2 VAL 25 3HG2 VAL 25 0.983 14.845 -3.762 200 H GLN 26 H GLN 26 -0.123 13.973 0.933 201 HA GLN 26 HA GLN 26 2.164 12.969 2.215 202 1HB GLN 26 2HB GLN 26 -0.587 13.643 3.059 203 2HB GLN 26 1HB GLN 26 0.337 12.587 4.119 204 1HG GLN 26 2HG GLN 26 1.871 14.207 4.660 205 2HG GLN 26 1HG GLN 26 1.809 14.945 3.055 206 1HE2 GLN 26 1HE2 GLN 26 -0.200 14.533 5.966 207 2HE2 GLN 26 2HE2 GLN 26 -0.949 16.049 5.856 208 H VAL 27 H VAL 27 -0.884 11.390 1.311 209 HA VAL 27 HA VAL 27 -0.273 8.882 2.488 210 HB VAL 27 HB VAL 27 -1.981 9.448 0.042 211 1HG1 VAL 27 1HG1 VAL 27 -3.064 7.278 0.741 212 2HG1 VAL 27 2HG1 VAL 27 -1.752 7.060 1.900 213 3HG1 VAL 27 3HG1 VAL 27 -1.406 7.091 0.170 214 1HG2 VAL 27 1HG2 VAL 27 -2.737 9.146 2.973 215 2HG2 VAL 27 2HG2 VAL 27 -3.858 9.414 1.638 216 3HG2 VAL 27 3HG2 VAL 27 -2.708 10.670 2.088 217 H LYS 28 H LYS 28 0.229 10.161 -0.799 218 HA LYS 28 HA LYS 28 1.523 7.891 -1.855 219 1HB LYS 28 2HB LYS 28 1.519 10.815 -2.632 220 2HB LYS 28 1HB LYS 28 2.564 9.651 -3.454 221 1HG LYS 28 2HG LYS 28 0.211 8.277 -3.485 222 2HG LYS 28 1HG LYS 28 -0.395 9.922 -3.558 223 1HD LYS 28 2HD LYS 28 1.645 8.706 -5.428 224 2HD LYS 28 1HD LYS 28 -0.037 9.042 -5.809 225 1HE LYS 28 2HE LYS 28 0.828 10.997 -6.630 226 2HE LYS 28 1HE LYS 28 0.736 11.497 -4.944 227 1HZ LYS 28 1HZ LYS 28 3.122 10.063 -5.882 228 2HZ LYS 28 2HZ LYS 28 2.970 11.213 -4.640 229 3HZ LYS 28 3HZ LYS 28 2.952 11.707 -6.265 230 H ALA 29 H ALA 29 2.690 10.586 0.056 231 HA ALA 29 HA ALA 29 5.461 10.145 -0.343 232 1HB ALA 29 1HB ALA 29 5.782 11.642 1.493 233 2HB ALA 29 2HB ALA 29 4.122 11.400 2.034 234 3HB ALA 29 3HB ALA 29 4.445 12.257 0.525 235 H PHE 30 H PHE 30 3.156 9.164 2.130 236 HA PHE 30 HA PHE 30 5.013 7.842 3.750 237 1HB PHE 30 2HB PHE 30 2.040 7.430 3.440 238 2HB PHE 30 1HB PHE 30 3.030 6.751 4.730 239 HD1 PHE 30 1HD PHE 30 0.674 9.141 4.378 240 HD2 PHE 30 2HD PHE 30 4.834 8.892 5.519 241 HE1 PHE 30 1HE PHE 30 0.462 11.218 5.681 242 HE2 PHE 30 2HE PHE 30 4.590 10.988 6.790 243 HZ PHE 30 HZ PHE 30 2.412 12.134 6.869 244 H ILE 31 H ILE 31 3.000 6.936 1.013 245 HA ILE 31 HA ILE 31 3.663 4.192 1.026 246 HB ILE 31 HB ILE 31 2.698 5.998 -1.193 247 1HG1 ILE 31 2HG1 ILE 31 1.365 3.773 0.386 248 2HG1 ILE 31 1HG1 ILE 31 1.085 5.491 0.612 249 1HG2 ILE 31 1HG2 ILE 31 2.283 3.221 -1.818 250 2HG2 ILE 31 2HG2 ILE 31 3.995 3.444 -1.492 251 3HG2 ILE 31 3HG2 ILE 31 3.202 4.414 -2.729 252 1HD1 ILE 31 1HD1 ILE 31 -0.646 4.307 -0.800 253 2HD1 ILE 31 2HD1 ILE 31 0.607 4.073 -2.015 254 3HD1 ILE 31 3HD1 ILE 31 0.104 5.704 -1.569 255 H ASP 32 H ASP 32 5.015 7.012 -0.573 256 HA ASP 32 HA ASP 32 6.984 5.705 -2.066 257 1HB ASP 32 2HB ASP 32 6.301 8.099 -2.347 258 2HB ASP 32 1HB ASP 32 7.195 8.475 -0.876 259 H SER 33 H SER 33 7.022 6.991 1.168 260 HA SER 33 HA SER 33 9.744 6.441 1.784 261 1HB SER 33 2HB SER 33 7.316 6.770 3.574 262 2HB SER 33 1HB SER 33 8.993 6.739 4.132 263 HG SER 33 HG SER 33 7.946 8.539 2.200 264 H LEU 34 H LEU 34 6.744 4.676 2.029 265 HA LEU 34 HA LEU 34 7.534 2.381 3.519 266 1HB LEU 34 2HB LEU 34 5.354 3.257 1.741 267 2HB LEU 34 1HB LEU 34 5.648 1.547 1.730 268 HG LEU 34 HG LEU 34 5.626 2.640 4.414 269 1HD1 LEU 34 1HD1 LEU 34 3.910 4.120 3.899 270 2HD1 LEU 34 2HD1 LEU 34 2.986 2.659 4.221 271 3HD1 LEU 34 3HD1 LEU 34 3.334 3.129 2.564 272 1HD2 LEU 34 1HD2 LEU 34 5.523 0.331 4.147 273 2HD2 LEU 34 2HD2 LEU 34 4.333 0.423 2.870 274 3HD2 LEU 34 3HD2 LEU 34 3.869 0.759 4.541 275 H ARG 35 H ARG 35 7.305 2.914 0.010 276 HA ARG 35 HA ARG 35 8.407 0.438 -0.803 277 1HB ARG 35 2HB ARG 35 9.213 2.627 -2.569 278 2HB ARG 35 1HB ARG 35 8.215 1.221 -2.914 279 1HG ARG 35 2HG ARG 35 6.325 2.411 -1.728 280 2HG ARG 35 1HG ARG 35 7.362 3.826 -1.683 281 1HD ARG 35 2HD ARG 35 6.140 4.233 -3.609 282 2HD ARG 35 1HD ARG 35 7.553 3.418 -4.274 283 HE ARG 35 HE ARG 35 4.861 2.298 -3.978 284 1HH1 ARG 35 1HH2 ARG 35 6.362 2.338 -6.601 285 2HH1 ARG 35 2HH2 ARG 35 6.905 0.698 -6.716 286 1HH2 ARG 35 1HH1 ARG 35 6.343 0.038 -3.361 287 2HH2 ARG 35 2HH1 ARG 35 6.888 -0.616 -4.876 288 H ASP 36 H ASP 36 9.924 3.580 -0.230 289 HA ASP 36 HA ASP 36 12.575 2.896 -0.885 290 1HB ASP 36 2HB ASP 36 11.641 5.215 -0.669 291 2HB ASP 36 1HB ASP 36 11.681 4.977 1.066 292 H ASP 37 H ASP 37 10.707 2.725 2.047 293 HA ASP 37 HA ASP 37 12.678 0.946 3.240 294 1HB ASP 37 2HB ASP 37 13.206 3.365 3.940 295 2HB ASP 37 1HB ASP 37 11.709 3.299 4.864 296 HA PRO 38 HA PRO 38 8.492 -0.515 3.964 297 1HB PRO 38 2HB PRO 38 9.576 -3.159 4.074 298 2HB PRO 38 1HB PRO 38 8.556 -2.438 2.841 299 1HG PRO 38 2HG PRO 38 11.208 -3.162 2.544 300 2HG PRO 38 1HG PRO 38 10.285 -2.104 1.466 301 1HD PRO 38 2HD PRO 38 12.316 -1.394 3.500 302 2HD PRO 38 1HD PRO 38 11.802 -0.508 2.046 303 H SER 39 H SER 39 11.440 -1.335 5.686 304 HA SER 39 HA SER 39 10.248 -2.555 7.946 305 1HB SER 39 2HB SER 39 12.811 -0.931 7.867 306 2HB SER 39 1HB SER 39 12.363 -2.139 9.068 307 HG SER 39 HG SER 39 12.966 -2.491 6.323 308 H GLN 40 H GLN 40 10.764 0.698 6.889 309 HA GLN 40 HA GLN 40 10.045 1.972 9.377 310 1HB GLN 40 2HB GLN 40 11.690 2.836 7.610 311 2HB GLN 40 1HB GLN 40 10.274 3.252 6.652 312 1HG GLN 40 2HG GLN 40 9.463 4.708 8.456 313 2HG GLN 40 1HG GLN 40 10.842 4.260 9.458 314 1HE2 GLN 40 1HE2 GLN 40 12.703 5.532 9.216 315 2HE2 GLN 40 2HE2 GLN 40 12.955 6.630 7.947 316 H SER 41 H SER 41 8.240 0.404 7.067 317 HA SER 41 HA SER 41 6.175 2.031 6.280 318 1HB SER 41 2HB SER 41 4.814 -0.005 6.184 319 2HB SER 41 1HB SER 41 6.456 -0.357 5.661 320 HG SER 41 HG SER 41 6.864 -1.277 7.635 321 H ALA 42 H ALA 42 6.565 0.470 9.435 322 HA ALA 42 HA ALA 42 4.014 1.091 10.514 323 1HB ALA 42 1HB ALA 42 6.670 0.752 11.914 324 2HB ALA 42 2HB ALA 42 5.602 -0.580 11.455 325 3HB ALA 42 3HB ALA 42 5.073 0.601 12.654 326 H ASN 43 H ASN 43 7.114 2.670 10.423 327 HA ASN 43 HA ASN 43 6.575 4.798 12.180 328 1HB ASN 43 2HB ASN 43 8.631 3.983 10.231 329 2HB ASN 43 1HB ASN 43 8.557 5.711 10.590 330 1HD2 ASN 43 1HD2 ASN 43 10.260 6.036 12.062 331 2HD2 ASN 43 2HD2 ASN 43 10.498 5.120 13.471 332 H LEU 44 H LEU 44 6.227 4.310 8.775 333 HA LEU 44 HA LEU 44 5.652 7.002 8.027 334 1HB LEU 44 2HB LEU 44 5.167 4.347 6.635 335 2HB LEU 44 1HB LEU 44 5.168 5.947 5.863 336 HG LEU 44 HG LEU 44 7.490 4.983 7.516 337 1HD1 LEU 44 1HD1 LEU 44 7.668 3.397 5.922 338 2HD1 LEU 44 2HD1 LEU 44 8.529 4.715 5.132 339 3HD1 LEU 44 3HD1 LEU 44 6.855 4.368 4.693 340 1HD2 LEU 44 1HD2 LEU 44 7.409 7.296 7.279 341 2HD2 LEU 44 2HD2 LEU 44 7.007 7.181 5.566 342 3HD2 LEU 44 3HD2 LEU 44 8.617 6.727 6.126 343 H LEU 45 H LEU 45 3.961 4.158 8.822 344 HA LEU 45 HA LEU 45 1.301 5.075 8.386 345 1HB LEU 45 2HB LEU 45 1.586 2.729 8.598 346 2HB LEU 45 1HB LEU 45 2.539 2.895 10.068 347 HG LEU 45 HG LEU 45 0.549 3.677 11.286 348 1HD1 LEU 45 1HD1 LEU 45 -0.764 4.808 9.693 349 2HD1 LEU 45 2HD1 LEU 45 -1.686 3.342 10.015 350 3HD1 LEU 45 3HD1 LEU 45 -0.710 3.462 8.555 351 1HD2 LEU 45 1HD2 LEU 45 -0.746 1.538 11.157 352 2HD2 LEU 45 2HD2 LEU 45 0.996 1.296 11.266 353 3HD2 LEU 45 3HD2 LEU 45 0.176 1.110 9.716 354 H ALA 46 H ALA 46 3.607 5.168 10.967 355 HA ALA 46 HA ALA 46 2.005 6.273 13.003 356 1HB ALA 46 1HB ALA 46 4.930 6.862 12.740 357 2HB ALA 46 2HB ALA 46 4.404 5.217 13.102 358 3HB ALA 46 3HB ALA 46 4.000 6.533 14.203 359 H GLU 47 H GLU 47 4.191 7.594 10.629 360 HA GLU 47 HA GLU 47 4.000 10.310 11.286 361 1HB GLU 47 2HB GLU 47 4.710 8.707 8.865 362 2HB GLU 47 1HB GLU 47 4.596 10.462 8.746 363 1HG GLU 47 2HG GLU 47 6.425 8.851 10.529 364 2HG GLU 47 1HG GLU 47 6.881 9.844 9.149 365 H ALA 48 H ALA 48 2.181 8.164 9.223 366 HA ALA 48 HA ALA 48 0.603 10.120 7.963 367 1HB ALA 48 1HB ALA 48 -0.203 8.319 6.871 368 2HB ALA 48 2HB ALA 48 -0.560 7.461 8.369 369 3HB ALA 48 3HB ALA 48 1.065 7.445 7.713 370 H LYS 49 H LYS 49 0.061 7.973 10.747 371 HA LYS 49 HA LYS 49 -2.518 8.917 11.388 372 1HB LYS 49 2HB LYS 49 -0.334 7.691 13.084 373 2HB LYS 49 1HB LYS 49 -1.921 8.117 13.729 374 1HG LYS 49 2HG LYS 49 -2.994 6.669 12.030 375 2HG LYS 49 1HG LYS 49 -1.406 6.219 11.418 376 1HD LYS 49 2HD LYS 49 -0.820 5.281 13.634 377 2HD LYS 49 1HD LYS 49 -2.421 5.714 14.233 378 1HE LYS 49 2HE LYS 49 -3.401 3.934 13.225 379 2HE LYS 49 1HE LYS 49 -2.506 4.182 11.729 380 1HZ LYS 49 1HZ LYS 49 -1.894 2.097 12.759 381 2HZ LYS 49 2HZ LYS 49 -1.458 2.897 14.194 382 3HZ LYS 49 3HZ LYS 49 -0.572 3.160 12.769 383 H LYS 50 H LYS 50 0.719 10.139 11.967 384 HA LYS 50 HA LYS 50 -0.075 12.106 13.858 385 1HB LYS 50 2HB LYS 50 2.240 11.156 13.655 386 2HB LYS 50 1HB LYS 50 2.401 12.027 12.135 387 1HG LYS 50 2HG LYS 50 2.062 14.168 13.294 388 2HG LYS 50 1HG LYS 50 1.828 13.316 14.821 389 1HD LYS 50 2HD LYS 50 4.100 13.964 14.890 390 2HD LYS 50 1HD LYS 50 4.156 12.277 14.377 391 1HE LYS 50 2HE LYS 50 4.224 13.093 11.985 392 2HE LYS 50 1HE LYS 50 4.398 14.731 12.611 393 1HZ LYS 50 1HZ LYS 50 6.344 13.813 13.916 394 2HZ LYS 50 2HZ LYS 50 6.562 13.975 12.239 395 3HZ LYS 50 3HZ LYS 50 6.252 12.447 12.914 396 H LEU 51 H LEU 51 0.501 12.008 10.415 397 HA LEU 51 HA LEU 51 0.089 14.779 9.987 398 1HB LEU 51 2HB LEU 51 0.432 12.381 8.279 399 2HB LEU 51 1HB LEU 51 -0.447 13.727 7.564 400 HG LEU 51 HG LEU 51 1.878 13.990 7.031 401 1HD1 LEU 51 1HD1 LEU 51 2.040 16.215 7.520 402 2HD1 LEU 51 2HD1 LEU 51 1.683 15.979 9.230 403 3HD1 LEU 51 3HD1 LEU 51 0.377 15.960 8.044 404 1HD2 LEU 51 1HD2 LEU 51 3.135 12.777 8.579 405 2HD2 LEU 51 2HD2 LEU 51 2.260 13.439 9.959 406 3HD2 LEU 51 3HD2 LEU 51 3.446 14.427 9.108 407 H ASN 52 H ASN 52 -1.918 11.924 9.807 408 HA ASN 52 HA ASN 52 -4.268 13.140 8.827 409 1HB ASN 52 2HB ASN 52 -4.309 10.825 8.683 410 2HB ASN 52 1HB ASN 52 -3.621 10.601 10.285 411 1HD2 ASN 52 1HD2 ASN 52 -5.099 10.108 11.923 412 2HD2 ASN 52 2HD2 ASN 52 -6.779 10.306 11.790 413 H ASP 53 H ASP 53 -3.060 12.381 12.068 414 HA ASP 53 HA ASP 53 -5.266 13.411 13.467 415 1HB ASP 53 2HB ASP 53 -2.402 12.983 14.289 416 2HB ASP 53 1HB ASP 53 -3.613 13.606 15.403 417 H ALA 54 H ALA 54 -2.285 14.862 12.335 418 HA ALA 54 HA ALA 54 -2.598 17.392 13.545 419 1HB ALA 54 1HB ALA 54 -0.439 16.811 12.721 420 2HB ALA 54 2HB ALA 54 -1.017 18.108 11.675 421 3HB ALA 54 3HB ALA 54 -1.077 16.433 11.122 422 H GLN 55 H GLN 55 -3.641 15.975 10.489 423 HA GLN 55 HA GLN 55 -4.863 18.449 9.552 424 1HB GLN 55 2HB GLN 55 -4.641 15.642 8.473 425 2HB GLN 55 1HB GLN 55 -5.607 16.889 7.670 426 1HG GLN 55 2HG GLN 55 -3.682 18.292 7.347 427 2HG GLN 55 1HG GLN 55 -2.690 17.279 8.395 428 1HE2 GLN 55 1HE2 GLN 55 -2.678 14.844 7.591 429 2HE2 GLN 55 2HE2 GLN 55 -2.440 14.645 5.924 430 H ALA 56 H ALA 56 -5.731 16.125 11.754 431 HA ALA 56 HA ALA 56 -8.533 15.865 11.056 432 1HB ALA 56 1HB ALA 56 -7.309 14.059 12.255 433 2HB ALA 56 2HB ALA 56 -8.726 14.613 13.139 434 3HB ALA 56 3HB ALA 56 -7.121 15.138 13.632 435 HA PRO 57 HA PRO 57 -10.058 19.308 13.276 436 1HB PRO 57 2HB PRO 57 -12.455 17.932 14.132 437 2HB PRO 57 1HB PRO 57 -12.241 18.996 12.736 438 1HG PRO 57 2HG PRO 57 -12.759 16.340 12.561 439 2HG PRO 57 1HG PRO 57 -11.893 17.264 11.322 440 1HD PRO 57 2HD PRO 57 -10.775 15.549 13.512 441 2HD PRO 57 1HD PRO 57 -10.324 15.607 11.789 442 H LYS 58 H LYS 58 -8.272 17.812 14.844 443 HA LYS 58 HA LYS 58 -9.084 17.063 17.395 444 1HB LYS 58 2HB LYS 58 -6.536 18.413 16.593 445 2HB LYS 58 1HB LYS 58 -6.789 17.605 18.127 446 1HG LYS 58 2HG LYS 58 -7.045 16.255 15.421 447 2HG LYS 58 1HG LYS 58 -5.599 16.189 16.422 448 1HD LYS 58 2HD LYS 58 -7.221 15.331 18.290 449 2HD LYS 58 1HD LYS 58 -8.314 14.982 16.951 450 1HE LYS 58 2HE LYS 58 -5.476 13.939 17.233 451 2HE LYS 58 1HE LYS 58 -6.947 13.005 17.495 452 1HZ LYS 58 1HZ LYS 58 -6.059 14.248 14.953 453 2HZ LYS 58 2HZ LYS 58 -7.568 13.501 15.175 454 3HZ LYS 58 3HZ LYS 58 -6.138 12.590 15.299 455 1H VAL 1 1HT VAL 1 -20.051 -5.435 3.768 456 2H VAL 1 2HT VAL 1 -20.539 -6.387 5.087 457 3H VAL 1 3HT VAL 1 -19.983 -7.126 3.661 458 HA VAL 1 HA VAL 1 -18.257 -5.299 5.203 459 HB VAL 1 HB VAL 1 -19.124 -7.107 6.710 460 1HG1 VAL 1 1HG1 VAL 1 -17.683 -9.003 4.828 461 2HG1 VAL 1 2HG1 VAL 1 -19.436 -8.802 4.866 462 3HG1 VAL 1 3HG1 VAL 1 -18.590 -9.426 6.280 463 1HG2 VAL 1 1HG2 VAL 1 -16.754 -6.135 6.824 464 2HG2 VAL 1 2HG2 VAL 1 -16.217 -7.605 6.010 465 3HG2 VAL 1 3HG2 VAL 1 -16.985 -7.704 7.595 466 H ASP 2 H ASP 2 -15.999 -5.756 4.711 467 HA ASP 2 HA ASP 2 -15.531 -6.138 1.931 468 1HB ASP 2 2HB ASP 2 -14.173 -4.768 3.679 469 2HB ASP 2 1HB ASP 2 -13.375 -6.299 4.028 470 H ASN 3 H ASN 3 -14.208 -7.781 0.940 471 HA ASN 3 HA ASN 3 -14.966 -10.409 1.514 472 1HB ASN 3 2HB ASN 3 -12.489 -9.558 -0.001 473 2HB ASN 3 1HB ASN 3 -13.354 -11.082 -0.161 474 1HD2 ASN 3 1HD2 ASN 3 -16.046 -10.063 -0.209 475 2HD2 ASN 3 2HD2 ASN 3 -16.237 -9.156 -1.630 476 H LYS 4 H LYS 4 -13.599 -12.232 2.156 477 HA LYS 4 HA LYS 4 -12.274 -11.809 4.600 478 1HB LYS 4 2HB LYS 4 -11.472 -14.202 4.274 479 2HB LYS 4 1HB LYS 4 -13.212 -13.954 4.305 480 1HG LYS 4 2HG LYS 4 -13.064 -15.280 2.420 481 2HG LYS 4 1HG LYS 4 -12.837 -13.714 1.654 482 1HD LYS 4 2HD LYS 4 -11.096 -15.152 0.844 483 2HD LYS 4 1HD LYS 4 -10.347 -14.027 1.967 484 1HE LYS 4 2HE LYS 4 -10.180 -15.649 3.654 485 2HE LYS 4 1HE LYS 4 -11.323 -16.724 2.851 486 1HZ LYS 4 1HZ LYS 4 -8.918 -17.342 2.633 487 2HZ LYS 4 2HZ LYS 4 -8.718 -15.959 1.666 488 3HZ LYS 4 3HZ LYS 4 -9.763 -17.204 1.170 489 H PHE 5 H PHE 5 -11.231 -11.366 1.469 490 HA PHE 5 HA PHE 5 -8.529 -12.015 1.561 491 1HB PHE 5 2HB PHE 5 -10.232 -10.238 -0.128 492 2HB PHE 5 1HB PHE 5 -8.475 -10.132 -0.280 493 HD1 PHE 5 1HD PHE 5 -11.030 -12.829 0.202 494 HD2 PHE 5 2HD PHE 5 -7.558 -11.471 -1.942 495 HE1 PHE 5 1HE PHE 5 -11.003 -14.939 -1.119 496 HE2 PHE 5 2HE PHE 5 -7.534 -13.572 -3.251 497 HZ PHE 5 HZ PHE 5 -9.249 -15.308 -2.835 498 H ASN 6 H ASN 6 -9.854 -9.963 3.697 499 HA ASN 6 HA ASN 6 -8.318 -7.603 3.539 500 1HB ASN 6 2HB ASN 6 -9.298 -9.117 5.977 501 2HB ASN 6 1HB ASN 6 -8.617 -7.490 6.023 502 1HD2 ASN 6 1HD2 ASN 6 -10.171 -7.692 3.089 503 2HD2 ASN 6 2HD2 ASN 6 -11.692 -7.077 3.539 504 H LYS 7 H LYS 7 -7.540 -10.784 4.850 505 HA LYS 7 HA LYS 7 -4.936 -10.083 5.820 506 1HB LYS 7 2HB LYS 7 -6.218 -12.078 6.589 507 2HB LYS 7 1HB LYS 7 -6.035 -12.785 4.988 508 1HG LYS 7 2HG LYS 7 -3.567 -12.728 5.249 509 2HG LYS 7 1HG LYS 7 -3.766 -12.037 6.859 510 1HD LYS 7 2HD LYS 7 -3.429 -14.401 7.151 511 2HD LYS 7 1HD LYS 7 -5.132 -14.082 7.471 512 1HE LYS 7 2HE LYS 7 -5.800 -14.948 5.348 513 2HE LYS 7 1HE LYS 7 -4.146 -14.926 4.735 514 1HZ LYS 7 1HZ LYS 7 -5.202 -16.662 6.899 515 2HZ LYS 7 2HZ LYS 7 -3.574 -16.598 6.416 516 3HZ LYS 7 3HZ LYS 7 -4.763 -17.153 5.336 517 H GLU 8 H GLU 8 -6.206 -11.572 2.872 518 HA GLU 8 HA GLU 8 -3.734 -11.989 1.535 519 1HB GLU 8 2HB GLU 8 -6.600 -11.755 0.560 520 2HB GLU 8 1HB GLU 8 -5.251 -12.129 -0.513 521 1HG GLU 8 2HG GLU 8 -5.719 -14.292 0.009 522 2HG GLU 8 1HG GLU 8 -4.842 -13.951 1.502 523 H ARG 9 H ARG 9 -6.025 -9.323 1.570 524 HA ARG 9 HA ARG 9 -5.130 -7.886 -0.641 525 1HB ARG 9 2HB ARG 9 -7.277 -7.524 0.499 526 2HB ARG 9 1HB ARG 9 -6.431 -6.865 1.897 527 1HG ARG 9 2HG ARG 9 -5.713 -4.955 0.713 528 2HG ARG 9 1HG ARG 9 -6.007 -5.703 -0.855 529 1HD ARG 9 2HD ARG 9 -7.780 -4.110 -0.446 530 2HD ARG 9 1HD ARG 9 -8.459 -5.726 -0.313 531 HE ARG 9 HE ARG 9 -7.565 -4.602 2.207 532 1HH1 ARG 9 1HH2 ARG 9 -9.975 -3.710 0.030 533 2HH1 ARG 9 2HH2 ARG 9 -11.299 -3.924 1.126 534 1HH2 ARG 9 1HH1 ARG 9 -9.361 -5.388 3.594 535 2HH2 ARG 9 2HH1 ARG 9 -10.950 -4.870 3.142 536 H VAL 10 H VAL 10 -4.124 -7.639 2.814 537 HA VAL 10 HA VAL 10 -2.463 -5.407 2.364 538 HB VAL 10 HB VAL 10 -2.026 -5.378 4.539 539 1HG1 VAL 10 1HG1 VAL 10 -3.731 -7.816 4.952 540 2HG1 VAL 10 2HG1 VAL 10 -4.435 -6.306 4.370 541 3HG1 VAL 10 3HG1 VAL 10 -3.624 -6.354 5.944 542 1HG2 VAL 10 1HG2 VAL 10 -1.466 -8.337 4.612 543 2HG2 VAL 10 2HG2 VAL 10 -1.051 -7.130 5.841 544 3HG2 VAL 10 3HG2 VAL 10 -0.255 -7.095 4.267 545 H ILE 11 H ILE 11 -1.854 -8.849 2.063 546 HA ILE 11 HA ILE 11 0.959 -8.653 1.766 547 HB ILE 11 HB ILE 11 -0.819 -10.676 0.377 548 1HG1 ILE 11 2HG1 ILE 11 -0.115 -10.296 3.255 549 2HG1 ILE 11 1HG1 ILE 11 -1.537 -11.044 2.541 550 1HG2 ILE 11 1HG2 ILE 11 1.988 -10.955 1.510 551 2HG2 ILE 11 2HG2 ILE 11 1.689 -10.470 -0.162 552 3HG2 ILE 11 3HG2 ILE 11 1.161 -12.053 0.402 553 1HD1 ILE 11 1HD1 ILE 11 0.081 -12.952 1.829 554 2HD1 ILE 11 2HD1 ILE 11 -0.392 -12.863 3.522 555 3HD1 ILE 11 3HD1 ILE 11 1.187 -12.253 3.016 556 H ALA 12 H ALA 12 -1.747 -8.306 -0.523 557 HA ALA 12 HA ALA 12 -0.170 -8.066 -2.883 558 1HB ALA 12 1HB ALA 12 -2.258 -6.893 -3.737 559 2HB ALA 12 2HB ALA 12 -2.953 -7.160 -2.139 560 3HB ALA 12 3HB ALA 12 -2.508 -8.535 -3.142 561 H ILE 13 H ILE 13 -1.557 -5.714 -0.629 562 HA ILE 13 HA ILE 13 -0.637 -3.393 -1.931 563 HB ILE 13 HB ILE 13 -0.954 -3.891 1.058 564 1HG1 ILE 13 2HG1 ILE 13 -2.904 -2.621 -0.833 565 2HG1 ILE 13 1HG1 ILE 13 -2.943 -4.345 -0.498 566 1HG2 ILE 13 1HG2 ILE 13 -1.519 -1.407 1.017 567 2HG2 ILE 13 2HG2 ILE 13 -0.811 -1.368 -0.601 568 3HG2 ILE 13 3HG2 ILE 13 0.185 -1.792 0.775 569 1HD1 ILE 13 1HD1 ILE 13 -4.507 -3.272 0.981 570 2HD1 ILE 13 2HD1 ILE 13 -3.293 -2.086 1.449 571 3HD1 ILE 13 3HD1 ILE 13 -3.117 -3.749 1.950 572 H GLY 14 H GLY 14 0.798 -5.485 0.522 573 1HA GLY 14 2HA GLY 14 3.267 -4.215 0.848 574 2HA GLY 14 1HA GLY 14 2.972 -5.938 1.059 575 H GLU 15 H GLU 15 2.176 -6.584 -1.555 576 HA GLU 15 HA GLU 15 4.709 -6.939 -2.765 577 1HB GLU 15 2HB GLU 15 2.482 -8.316 -2.961 578 2HB GLU 15 1HB GLU 15 2.152 -7.221 -4.281 579 1HG GLU 15 2HG GLU 15 3.712 -8.191 -5.647 580 2HG GLU 15 1HG GLU 15 4.871 -8.330 -4.320 581 H ILE 16 H ILE 16 1.894 -4.803 -3.460 582 HA ILE 16 HA ILE 16 3.014 -3.592 -5.779 583 HB ILE 16 HB ILE 16 1.629 -1.768 -3.815 584 1HG1 ILE 16 2HG1 ILE 16 0.300 -3.902 -3.797 585 2HG1 ILE 16 1HG1 ILE 16 -0.574 -2.497 -4.339 586 1HG2 ILE 16 1HG2 ILE 16 0.619 -0.870 -5.860 587 2HG2 ILE 16 2HG2 ILE 16 1.412 -2.121 -6.813 588 3HG2 ILE 16 3HG2 ILE 16 2.375 -0.909 -5.973 589 1HD1 ILE 16 1HD1 ILE 16 -0.996 -4.473 -5.758 590 2HD1 ILE 16 2HD1 ILE 16 0.722 -4.519 -6.164 591 3HD1 ILE 16 3HD1 ILE 16 -0.268 -3.134 -6.650 592 H MET 17 H MET 17 3.125 -2.626 -2.415 593 HA MET 17 HA MET 17 4.802 -0.398 -2.582 594 1HB MET 17 2HB MET 17 4.413 -2.305 -0.292 595 2HB MET 17 1HB MET 17 5.039 -0.653 -0.198 596 1HG MET 17 2HG MET 17 2.298 -1.361 -1.267 597 2HG MET 17 1HG MET 17 2.600 -0.790 0.358 598 1HE MET 17 1HE MET 17 4.087 0.849 0.794 599 2HE MET 17 2HE MET 17 3.529 2.479 0.370 600 3HE MET 17 3HE MET 17 4.945 1.806 -0.444 601 H ARG 18 H ARG 18 5.586 -3.828 -2.484 602 HA ARG 18 HA ARG 18 8.377 -3.453 -1.930 603 1HB ARG 18 2HB ARG 18 6.676 -5.729 -2.727 604 2HB ARG 18 1HB ARG 18 8.425 -5.868 -2.854 605 1HG ARG 18 2HG ARG 18 8.201 -4.731 -0.391 606 2HG ARG 18 1HG ARG 18 6.721 -5.668 -0.439 607 1HD ARG 18 2HD ARG 18 9.432 -6.753 -1.096 608 2HD ARG 18 1HD ARG 18 8.679 -6.895 0.485 609 HE ARG 18 HE ARG 18 7.051 -7.909 -1.689 610 1HH1 ARG 18 1HH1 ARG 18 10.036 -8.959 -0.644 611 2HH1 ARG 18 2HH1 ARG 18 9.511 -10.504 -0.066 612 1HH2 ARG 18 1HH2 ARG 18 6.142 -9.776 -0.392 613 2HH2 ARG 18 2HH2 ARG 18 7.310 -10.965 0.077 614 H LEU 19 H LEU 19 6.381 -3.699 -4.823 615 HA LEU 19 HA LEU 19 8.402 -4.122 -6.737 616 1HB LEU 19 2HB LEU 19 5.803 -2.621 -6.997 617 2HB LEU 19 1HB LEU 19 6.816 -3.065 -8.339 618 HG LEU 19 HG LEU 19 5.618 -5.046 -6.404 619 1HD1 LEU 19 1HD1 LEU 19 3.860 -3.902 -7.668 620 2HD1 LEU 19 2HD1 LEU 19 4.038 -5.557 -8.229 621 3HD1 LEU 19 3HD1 LEU 19 4.718 -4.229 -9.171 622 1HD2 LEU 19 1HD2 LEU 19 6.292 -5.949 -9.070 623 2HD2 LEU 19 2HD2 LEU 19 6.761 -6.613 -7.507 624 3HD2 LEU 19 3HD2 LEU 19 7.692 -5.303 -8.224 625 HA PRO 20 HA PRO 20 10.294 -0.093 -6.135 626 1HB PRO 20 2HB PRO 20 12.540 -1.028 -7.677 627 2HB PRO 20 1HB PRO 20 12.436 -0.762 -5.934 628 1HG PRO 20 2HG PRO 20 12.725 -3.199 -7.137 629 2HG PRO 20 1HG PRO 20 12.065 -2.941 -5.514 630 1HD PRO 20 2HD PRO 20 10.620 -3.459 -8.078 631 2HD PRO 20 1HD PRO 20 10.251 -4.018 -6.431 632 H ASN 21 H ASN 21 9.348 -1.597 -9.091 633 HA ASN 21 HA ASN 21 10.289 0.647 -10.725 634 1HB ASN 21 2HB ASN 21 8.802 -1.830 -11.587 635 2HB ASN 21 1HB ASN 21 9.584 -0.657 -12.631 636 1HD2 ASN 21 1HD2 ASN 21 10.147 -3.641 -12.078 637 2HD2 ASN 21 2HD2 ASN 21 11.808 -3.674 -11.731 638 H LEU 22 H LEU 22 7.391 -0.333 -9.078 639 HA LEU 22 HA LEU 22 5.546 0.978 -10.839 640 1HB LEU 22 2HB LEU 22 5.232 0.288 -7.919 641 2HB LEU 22 1HB LEU 22 3.940 0.840 -8.964 642 HG LEU 22 HG LEU 22 5.465 -1.756 -9.072 643 1HD1 LEU 22 1HD1 LEU 22 3.026 -2.580 -9.197 644 2HD1 LEU 22 2HD1 LEU 22 2.575 -0.935 -8.756 645 3HD1 LEU 22 3HD1 LEU 22 3.554 -1.899 -7.656 646 1HD2 LEU 22 1HD2 LEU 22 5.424 -1.170 -11.329 647 2HD2 LEU 22 2HD2 LEU 22 3.861 -0.351 -11.167 648 3HD2 LEU 22 3HD2 LEU 22 3.945 -2.102 -11.126 649 H ASN 23 H ASN 23 4.480 2.883 -10.610 650 HA ASN 23 HA ASN 23 5.985 5.110 -9.510 651 1HB ASN 23 2HB ASN 23 5.049 5.831 -11.467 652 2HB ASN 23 1HB ASN 23 3.817 4.605 -11.448 653 1HD2 ASN 23 1HD2 ASN 23 2.069 5.952 -12.003 654 2HD2 ASN 23 2HD2 ASN 23 1.523 7.212 -11.012 655 H SER 24 H SER 24 5.060 6.615 -7.937 656 HA SER 24 HA SER 24 3.934 5.383 -5.669 657 1HB SER 24 2HB SER 24 3.556 7.693 -4.848 658 2HB SER 24 1HB SER 24 5.166 7.507 -5.539 659 HG SER 24 HG SER 24 3.903 8.212 -7.570 660 H LEU 25 H LEU 25 2.504 7.297 -8.246 661 HA LEU 25 HA LEU 25 -0.176 7.153 -7.320 662 1HB LEU 25 2HB LEU 25 1.227 8.400 -9.489 663 2HB LEU 25 1HB LEU 25 -0.165 7.556 -10.107 664 HG LEU 25 HG LEU 25 -0.185 9.536 -7.871 665 1HD1 LEU 25 1HD1 LEU 25 -1.434 10.960 -9.457 666 2HD1 LEU 25 2HD1 LEU 25 -1.231 9.730 -10.705 667 3HD1 LEU 25 3HD1 LEU 25 0.177 10.585 -10.071 668 1HD2 LEU 25 1HD2 LEU 25 -2.078 7.538 -8.851 669 2HD2 LEU 25 2HD2 LEU 25 -2.774 9.155 -8.722 670 3HD2 LEU 25 3HD2 LEU 25 -2.050 8.387 -7.308 671 H GLN 26 H GLN 26 1.838 5.192 -9.484 672 HA GLN 26 HA GLN 26 -0.263 3.601 -10.556 673 1HB GLN 26 2HB GLN 26 2.679 3.338 -10.315 674 2HB GLN 26 1HB GLN 26 1.780 1.849 -10.540 675 1HG GLN 26 2HG GLN 26 0.760 2.736 -12.585 676 2HG GLN 26 1HG GLN 26 1.593 4.274 -12.355 677 1HE2 GLN 26 1HE2 GLN 26 3.606 1.775 -11.278 678 2HE2 GLN 26 2HE2 GLN 26 4.524 1.588 -12.692 679 H VAL 27 H VAL 27 1.795 3.376 -7.762 680 HA VAL 27 HA VAL 27 0.950 0.872 -6.812 681 HB VAL 27 HB VAL 27 2.321 3.238 -5.561 682 1HG1 VAL 27 1HG1 VAL 27 2.854 1.660 -3.660 683 2HG1 VAL 27 2HG1 VAL 27 1.582 0.597 -4.266 684 3HG1 VAL 27 3HG1 VAL 27 1.182 2.217 -3.698 685 1HG2 VAL 27 1HG2 VAL 27 3.038 0.919 -7.116 686 2HG2 VAL 27 2HG2 VAL 27 3.826 0.834 -5.541 687 3HG2 VAL 27 3HG2 VAL 27 4.070 2.243 -6.574 688 H VAL 28 H VAL 28 -0.075 4.154 -6.167 689 HA VAL 28 HA VAL 28 -2.096 3.521 -4.300 690 HB VAL 28 HB VAL 28 -1.823 5.853 -6.221 691 1HG1 VAL 28 1HG1 VAL 28 -3.308 6.215 -3.710 692 2HG1 VAL 28 2HG1 VAL 28 -4.068 5.088 -4.831 693 3HG1 VAL 28 3HG1 VAL 28 -3.717 6.735 -5.346 694 1HG2 VAL 28 1HG2 VAL 28 -0.305 6.702 -4.777 695 2HG2 VAL 28 2HG2 VAL 28 -0.277 5.138 -3.963 696 3HG2 VAL 28 3HG2 VAL 28 -1.366 6.405 -3.398 697 H ALA 29 H ALA 29 -1.885 3.575 -7.809 698 HA ALA 29 HA ALA 29 -4.602 3.422 -8.492 699 1HB ALA 29 1HB ALA 29 -2.722 1.819 -10.139 700 2HB ALA 29 2HB ALA 29 -2.257 3.505 -9.903 701 3HB ALA 29 3HB ALA 29 -3.822 3.117 -10.617 702 H PHE 30 H PHE 30 -2.184 0.924 -7.761 703 HA PHE 30 HA PHE 30 -3.976 -1.225 -8.114 704 1HB PHE 30 2HB PHE 30 -1.243 -0.995 -6.806 705 2HB PHE 30 1HB PHE 30 -2.090 -2.517 -7.107 706 HD1 PHE 30 1HD PHE 30 -3.221 -2.398 -9.755 707 HD2 PHE 30 2HD PHE 30 0.470 -0.608 -8.386 708 HE1 PHE 30 1HE PHE 30 -2.397 -2.267 -12.056 709 HE2 PHE 30 2HE PHE 30 1.258 -0.512 -10.700 710 HZ PHE 30 HZ PHE 30 -0.164 -1.343 -12.545 711 H ILE 31 H ILE 31 -2.706 0.523 -5.252 712 HA ILE 31 HA ILE 31 -3.946 -1.065 -3.282 713 HB ILE 31 HB ILE 31 -3.328 1.902 -3.243 714 1HG1 ILE 31 2HG1 ILE 31 -1.780 -0.366 -1.971 715 2HG1 ILE 31 1HG1 ILE 31 -1.415 0.206 -3.589 716 1HG2 ILE 31 1HG2 ILE 31 -3.340 1.514 -0.729 717 2HG2 ILE 31 2HG2 ILE 31 -4.086 -0.049 -1.055 718 3HG2 ILE 31 3HG2 ILE 31 -4.927 1.432 -1.495 719 1HD1 ILE 31 1HD1 ILE 31 -1.403 1.890 -1.062 720 2HD1 ILE 31 2HD1 ILE 31 -1.085 2.495 -2.692 721 3HD1 ILE 31 3HD1 ILE 31 0.031 1.346 -1.947 722 H ASN 32 H ASN 32 -5.070 1.868 -4.910 723 HA ASN 32 HA ASN 32 -7.575 2.087 -3.671 724 1HB ASN 32 2HB ASN 32 -6.421 3.827 -5.074 725 2HB ASN 32 1HB ASN 32 -6.861 2.895 -6.498 726 1HD2 ASN 32 1HD2 ASN 32 -8.206 4.647 -7.248 727 2HD2 ASN 32 2HD2 ASN 32 -9.713 4.975 -6.540 728 H SER 33 H SER 33 -6.450 0.028 -6.313 729 HA SER 33 HA SER 33 -9.075 -0.637 -7.185 730 1HB SER 33 2HB SER 33 -6.335 -1.467 -7.899 731 2HB SER 33 1HB SER 33 -7.683 -2.508 -8.367 732 HG SER 33 HG SER 33 -8.008 0.207 -8.799 733 H LEU 34 H LEU 34 -6.812 -1.826 -4.795 734 HA LEU 34 HA LEU 34 -8.031 -4.385 -4.397 735 1HB LEU 34 2HB LEU 34 -6.865 -2.787 -2.133 736 2HB LEU 34 1HB LEU 34 -6.860 -4.519 -2.353 737 HG LEU 34 HG LEU 34 -5.259 -2.532 -3.964 738 1HD1 LEU 34 1HD1 LEU 34 -4.105 -4.719 -2.284 739 2HD1 LEU 34 2HD1 LEU 34 -4.603 -3.193 -1.542 740 3HD1 LEU 34 3HD1 LEU 34 -3.376 -3.195 -2.820 741 1HD2 LEU 34 1HD2 LEU 34 -5.865 -4.374 -5.338 742 2HD2 LEU 34 2HD2 LEU 34 -5.459 -5.514 -4.076 743 3HD2 LEU 34 3HD2 LEU 34 -4.192 -4.600 -4.863 744 H ARG 35 H ARG 35 -8.451 -1.136 -3.072 745 HA ARG 35 HA ARG 35 -10.614 -1.633 -1.292 746 1HB ARG 35 2HB ARG 35 -9.886 0.832 -2.901 747 2HB ARG 35 1HB ARG 35 -11.233 0.803 -1.771 748 1HG ARG 35 2HG ARG 35 -9.612 0.067 0.008 749 2HG ARG 35 1HG ARG 35 -8.309 0.355 -1.147 750 1HD ARG 35 2HD ARG 35 -8.603 2.644 -1.107 751 2HD ARG 35 1HD ARG 35 -10.290 2.533 -0.611 752 HE ARG 35 HE ARG 35 -8.224 1.668 1.317 753 1HH1 ARG 35 1HH2 ARG 35 -8.043 4.604 1.199 754 2HH1 ARG 35 2HH2 ARG 35 -9.265 5.132 2.305 755 1HH2 ARG 35 1HH1 ARG 35 -10.920 2.095 2.343 756 2HH2 ARG 35 2HH1 ARG 35 -10.890 3.714 2.952 757 H ASP 36 H ASP 36 -10.500 -0.782 -4.709 758 HA ASP 36 HA ASP 36 -13.281 -0.645 -5.202 759 1HB ASP 36 2HB ASP 36 -10.946 -1.262 -7.034 760 2HB ASP 36 1HB ASP 36 -12.578 -0.912 -7.592 761 H ASP 37 H ASP 37 -10.938 -3.264 -5.328 762 HA ASP 37 HA ASP 37 -13.074 -5.253 -5.255 763 1HB ASP 37 2HB ASP 37 -11.006 -5.961 -7.241 764 2HB ASP 37 1HB ASP 37 -12.745 -6.209 -7.292 765 HA PRO 38 HA PRO 38 -9.642 -6.296 -2.498 766 1HB PRO 38 2HB PRO 38 -11.561 -7.684 -0.885 767 2HB PRO 38 1HB PRO 38 -10.669 -6.210 -0.514 768 1HG PRO 38 2HG PRO 38 -13.396 -6.408 -0.989 769 2HG PRO 38 1HG PRO 38 -12.439 -4.923 -0.971 770 1HD PRO 38 2HD PRO 38 -13.534 -6.403 -3.274 771 2HD PRO 38 1HD PRO 38 -13.023 -4.704 -3.154 772 H SER 39 H SER 39 -12.215 -8.327 -3.768 773 HA SER 39 HA SER 39 -11.039 -10.850 -3.220 774 1HB SER 39 2HB SER 39 -13.442 -10.495 -3.860 775 2HB SER 39 1HB SER 39 -12.908 -10.120 -5.496 776 HG SER 39 HG SER 39 -11.789 -12.250 -5.321 777 H GLN 40 H GLN 40 -10.802 -8.511 -5.832 778 HA GLN 40 HA GLN 40 -8.905 -10.198 -7.246 779 1HB GLN 40 2HB GLN 40 -9.492 -7.631 -8.485 780 2HB GLN 40 1HB GLN 40 -9.524 -9.238 -9.159 781 1HG GLN 40 2HG GLN 40 -11.733 -9.673 -8.238 782 2HG GLN 40 1HG GLN 40 -11.718 -8.131 -7.389 783 1HE2 GLN 40 1HE2 GLN 40 -10.736 -6.408 -9.368 784 2HE2 GLN 40 2HE2 GLN 40 -11.826 -6.362 -10.670 785 H SER 41 H SER 41 -8.350 -8.646 -4.662 786 HA SER 41 HA SER 41 -6.702 -6.453 -5.205 787 1HB SER 41 2HB SER 41 -6.543 -8.613 -3.074 788 2HB SER 41 1HB SER 41 -5.468 -7.222 -3.085 789 HG SER 41 HG SER 41 -8.067 -7.422 -2.326 790 H ALA 42 H ALA 42 -6.223 -9.844 -5.533 791 HA ALA 42 HA ALA 42 -3.401 -9.873 -5.975 792 1HB ALA 42 1HB ALA 42 -3.739 -12.173 -6.513 793 2HB ALA 42 2HB ALA 42 -5.444 -11.898 -6.883 794 3HB ALA 42 3HB ALA 42 -4.874 -11.795 -5.214 795 H ASN 43 H ASN 43 -6.224 -9.345 -7.940 796 HA ASN 43 HA ASN 43 -5.190 -9.967 -10.484 797 1HB ASN 43 2HB ASN 43 -7.573 -9.741 -9.710 798 2HB ASN 43 1HB ASN 43 -7.345 -8.005 -9.917 799 1HD2 ASN 43 1HD2 ASN 43 -6.401 -7.404 -12.198 800 2HD2 ASN 43 2HD2 ASN 43 -7.014 -8.278 -13.518 801 H LEU 44 H LEU 44 -5.796 -6.825 -8.943 802 HA LEU 44 HA LEU 44 -4.442 -5.496 -11.033 803 1HB LEU 44 2HB LEU 44 -4.936 -3.421 -9.915 804 2HB LEU 44 1HB LEU 44 -6.357 -4.435 -9.926 805 HG LEU 44 HG LEU 44 -5.966 -3.227 -7.826 806 1HD1 LEU 44 1HD1 LEU 44 -5.841 -6.001 -6.998 807 2HD1 LEU 44 2HD1 LEU 44 -7.023 -5.645 -8.249 808 3HD1 LEU 44 3HD1 LEU 44 -7.074 -4.765 -6.722 809 1HD2 LEU 44 1HD2 LEU 44 -3.941 -5.134 -6.948 810 2HD2 LEU 44 2HD2 LEU 44 -4.197 -3.454 -6.509 811 3HD2 LEU 44 3HD2 LEU 44 -3.400 -3.835 -8.011 812 H LEU 45 H LEU 45 -3.676 -6.923 -8.033 813 HA LEU 45 HA LEU 45 -1.123 -5.724 -7.585 814 1HB LEU 45 2HB LEU 45 -1.862 -6.985 -5.745 815 2HB LEU 45 1HB LEU 45 -2.508 -8.260 -6.764 816 HG LEU 45 HG LEU 45 -0.215 -8.974 -7.338 817 1HD1 LEU 45 1HD1 LEU 45 1.678 -8.007 -6.096 818 2HD1 LEU 45 2HD1 LEU 45 0.590 -6.830 -5.361 819 3HD1 LEU 45 3HD1 LEU 45 0.888 -6.794 -7.093 820 1HD2 LEU 45 1HD2 LEU 45 -0.431 -10.355 -5.588 821 2HD2 LEU 45 2HD2 LEU 45 -1.501 -9.208 -4.792 822 3HD2 LEU 45 3HD2 LEU 45 0.236 -9.121 -4.524 823 H ALA 46 H ALA 46 -2.537 -8.263 -9.450 824 HA ALA 46 HA ALA 46 -0.190 -9.449 -10.522 825 1HB ALA 46 1HB ALA 46 -3.013 -9.795 -10.788 826 2HB ALA 46 2HB ALA 46 -1.740 -10.822 -11.453 827 3HB ALA 46 3HB ALA 46 -2.385 -9.490 -12.408 828 H GLU 47 H GLU 47 -2.335 -6.837 -11.467 829 HA GLU 47 HA GLU 47 -1.118 -6.083 -13.893 830 1HB GLU 47 2HB GLU 47 -2.718 -4.461 -11.887 831 2HB GLU 47 1HB GLU 47 -2.244 -3.876 -13.473 832 1HG GLU 47 2HG GLU 47 -3.994 -6.262 -12.886 833 2HG GLU 47 1HG GLU 47 -4.539 -4.691 -13.453 834 H ALA 48 H ALA 48 -0.514 -5.382 -10.520 835 HA ALA 48 HA ALA 48 1.257 -3.191 -10.856 836 1HB ALA 48 1HB ALA 48 1.550 -4.927 -8.507 837 2HB ALA 48 2HB ALA 48 -0.098 -4.365 -8.803 838 3HB ALA 48 3HB ALA 48 1.210 -3.198 -8.595 839 H LYS 49 H LYS 49 1.756 -6.607 -10.096 840 HA LYS 49 HA LYS 49 4.576 -6.494 -10.021 841 1HB LYS 49 2HB LYS 49 2.576 -8.697 -10.440 842 2HB LYS 49 1HB LYS 49 4.308 -9.016 -10.416 843 1HG LYS 49 2HG LYS 49 4.400 -7.923 -8.161 844 2HG LYS 49 1HG LYS 49 2.639 -7.811 -8.200 845 1HD LYS 49 2HD LYS 49 4.167 -10.415 -8.514 846 2HD LYS 49 1HD LYS 49 3.517 -9.845 -6.985 847 1HE LYS 49 2HE LYS 49 1.341 -9.614 -8.691 848 2HE LYS 49 1HE LYS 49 2.126 -11.091 -9.246 849 1HZ LYS 49 1HZ LYS 49 0.440 -11.280 -7.371 850 2HZ LYS 49 2HZ LYS 49 1.634 -10.592 -6.377 851 3HZ LYS 49 3HZ LYS 49 1.926 -12.069 -7.162 852 H LYS 50 H LYS 50 2.197 -6.865 -12.489 853 HA LYS 50 HA LYS 50 3.911 -7.496 -14.686 854 1HB LYS 50 2HB LYS 50 1.454 -7.925 -14.573 855 2HB LYS 50 1HB LYS 50 1.209 -6.186 -14.679 856 1HG LYS 50 2HG LYS 50 2.264 -6.116 -16.872 857 2HG LYS 50 1HG LYS 50 2.701 -7.821 -16.752 858 1HD LYS 50 2HD LYS 50 0.738 -7.801 -18.090 859 2HD LYS 50 1HD LYS 50 0.186 -8.283 -16.486 860 1HE LYS 50 2HE LYS 50 -0.421 -5.889 -16.033 861 2HE LYS 50 1HE LYS 50 0.004 -5.506 -17.701 862 1HZ LYS 50 1HZ LYS 50 -2.413 -6.001 -17.222 863 2HZ LYS 50 2HZ LYS 50 -1.948 -7.621 -17.019 864 3HZ LYS 50 3HZ LYS 50 -1.712 -6.849 -18.513 865 H LEU 51 H LEU 51 2.505 -4.536 -13.333 866 HA LEU 51 HA LEU 51 3.492 -2.802 -15.369 867 1HB LEU 51 2HB LEU 51 2.062 -2.518 -12.838 868 2HB LEU 51 1HB LEU 51 3.270 -1.258 -13.055 869 HG LEU 51 HG LEU 51 1.063 -0.655 -14.016 870 1HD1 LEU 51 1HD1 LEU 51 2.215 -0.379 -16.469 871 2HD1 LEU 51 2HD1 LEU 51 3.638 -0.745 -15.488 872 3HD1 LEU 51 3HD1 LEU 51 2.606 0.632 -15.076 873 1HD2 LEU 51 1HD2 LEU 51 0.915 -1.973 -16.424 874 2HD2 LEU 51 2HD2 LEU 51 -0.020 -2.412 -14.995 875 3HD2 LEU 51 3HD2 LEU 51 1.476 -3.268 -15.363 876 H ASN 52 H ASN 52 4.623 -3.833 -12.252 877 HA ASN 52 HA ASN 52 6.968 -2.246 -12.151 878 1HB ASN 52 2HB ASN 52 6.181 -3.390 -10.168 879 2HB ASN 52 1HB ASN 52 6.344 -4.955 -10.951 880 1HD2 ASN 52 1HD2 ASN 52 8.577 -5.645 -11.496 881 2HD2 ASN 52 2HD2 ASN 52 9.885 -5.057 -10.589 882 H ASP 53 H ASP 53 6.066 -5.342 -13.492 883 HA ASP 53 HA ASP 53 8.673 -6.065 -14.448 884 1HB ASP 53 2HB ASP 53 6.723 -7.656 -14.198 885 2HB ASP 53 1HB ASP 53 6.019 -6.909 -15.629 886 H ALA 54 H ALA 54 5.984 -4.215 -15.685 887 HA ALA 54 HA ALA 54 6.822 -3.902 -18.364 888 1HB ALA 54 1HB ALA 54 5.053 -2.406 -18.560 889 2HB ALA 54 2HB ALA 54 5.217 -1.840 -16.899 890 3HB ALA 54 3HB ALA 54 4.533 -3.432 -17.224 891 H GLN 55 H GLN 55 7.399 -2.045 -15.413 892 HA GLN 55 HA GLN 55 9.019 -0.072 -16.836 893 1HB GLN 55 2HB GLN 55 8.166 -0.332 -13.993 894 2HB GLN 55 1HB GLN 55 9.121 1.000 -14.607 895 1HG GLN 55 2HG GLN 55 7.344 1.887 -15.799 896 2HG GLN 55 1HG GLN 55 6.562 0.318 -15.995 897 1HE2 GLN 55 1HE2 GLN 55 6.129 -0.677 -13.575 898 2HE2 GLN 55 2HE2 GLN 55 5.278 0.393 -12.569 899 H ALA 56 H ALA 56 9.519 -3.087 -15.563 900 HA ALA 56 HA ALA 56 11.911 -2.754 -14.069 901 1HB ALA 56 1HB ALA 56 12.275 -5.173 -14.519 902 2HB ALA 56 2HB ALA 56 10.899 -5.144 -15.618 903 3HB ALA 56 3HB ALA 56 10.662 -4.827 -13.900 904 HA PRO 57 HA PRO 57 14.956 -2.302 -17.160 905 1HB PRO 57 2HB PRO 57 16.955 -3.797 -15.719 906 2HB PRO 57 1HB PRO 57 16.702 -2.047 -15.741 907 1HG PRO 57 2HG PRO 57 16.322 -3.641 -13.551 908 2HG PRO 57 1HG PRO 57 15.551 -2.064 -13.798 909 1HD PRO 57 2HD PRO 57 14.430 -4.806 -14.274 910 2HD PRO 57 1HD PRO 57 13.653 -3.375 -13.554 911 H LYS 58 H LYS 58 16.891 -3.625 -18.185 912 HA LYS 58 HA LYS 58 15.708 -5.878 -19.541 913 1HB LYS 58 2HB LYS 58 18.320 -4.454 -19.813 914 2HB LYS 58 1HB LYS 58 17.847 -5.797 -20.837 915 1HG LYS 58 2HG LYS 58 16.260 -4.564 -21.962 916 2HG LYS 58 1HG LYS 58 15.873 -3.579 -20.553 917 1HD LYS 58 2HD LYS 58 16.965 -2.126 -22.115 918 2HD LYS 58 1HD LYS 58 18.135 -2.458 -20.839 919 1HE LYS 58 2HE LYS 58 18.058 -4.170 -23.327 920 2HE LYS 58 1HE LYS 58 18.918 -2.631 -23.325 921 1HZ LYS 58 1HZ LYS 58 19.503 -5.091 -21.849 922 2HZ LYS 58 2HZ LYS 58 19.891 -3.610 -21.110 923 3HZ LYS 58 3HZ LYS 58 20.562 -4.013 -22.618 Start of MODEL 39 1 1H VAL 1 1HT VAL 1 6.520 -15.488 8.823 2 2H VAL 1 2HT VAL 1 5.666 -14.076 8.421 3 3H VAL 1 3HT VAL 1 5.235 -14.970 9.799 4 HA VAL 1 HA VAL 1 6.424 -13.095 10.568 5 HB VAL 1 HB VAL 1 8.317 -15.474 10.472 6 1HG1 VAL 1 1HG1 VAL 1 9.417 -13.499 11.358 7 2HG1 VAL 1 2HG1 VAL 1 9.024 -14.558 12.711 8 3HG1 VAL 1 3HG1 VAL 1 8.033 -13.136 12.389 9 1HG2 VAL 1 1HG2 VAL 1 7.196 -16.056 12.665 10 2HG2 VAL 1 2HG2 VAL 1 6.152 -16.235 11.257 11 3HG2 VAL 1 3HG2 VAL 1 5.982 -14.827 12.307 12 H ASP 2 H ASP 2 8.303 -14.897 8.141 13 HA ASP 2 HA ASP 2 10.349 -12.992 7.761 14 1HB ASP 2 2HB ASP 2 10.869 -14.213 5.738 15 2HB ASP 2 1HB ASP 2 10.418 -15.369 6.987 16 H ASN 3 H ASN 3 7.165 -13.376 6.314 17 HA ASN 3 HA ASN 3 7.566 -11.106 4.507 18 1HB ASN 3 2HB ASN 3 5.202 -12.965 4.868 19 2HB ASN 3 1HB ASN 3 5.357 -11.735 3.615 20 1HD2 ASN 3 1HD2 ASN 3 5.540 -14.962 3.865 21 2HD2 ASN 3 2HD2 ASN 3 6.799 -15.297 2.777 22 H LYS 4 H LYS 4 7.018 -11.212 7.662 23 HA LYS 4 HA LYS 4 4.606 -9.885 8.178 24 1HB LYS 4 2HB LYS 4 6.121 -10.847 9.915 25 2HB LYS 4 1HB LYS 4 7.212 -9.482 9.667 26 1HG LYS 4 2HG LYS 4 5.388 -7.920 10.261 27 2HG LYS 4 1HG LYS 4 4.302 -9.287 10.510 28 1HD LYS 4 2HD LYS 4 5.921 -10.144 12.253 29 2HD LYS 4 1HD LYS 4 6.804 -8.623 12.090 30 1HE LYS 4 2HE LYS 4 3.838 -8.670 12.656 31 2HE LYS 4 1HE LYS 4 5.025 -8.759 13.959 32 1HZ LYS 4 1HZ LYS 4 5.972 -6.687 13.240 33 2HZ LYS 4 2HZ LYS 4 4.302 -6.474 13.469 34 3HZ LYS 4 3HZ LYS 4 4.935 -6.620 11.900 35 H PHE 5 H PHE 5 7.793 -8.563 7.332 36 HA PHE 5 HA PHE 5 7.150 -5.853 7.598 37 1HB PHE 5 2HB PHE 5 9.187 -5.383 6.551 38 2HB PHE 5 1HB PHE 5 9.472 -6.959 7.282 39 HD1 PHE 5 1HD PHE 5 9.451 -5.072 4.215 40 HD2 PHE 5 2HD PHE 5 9.096 -9.048 5.809 41 HE1 PHE 5 1HE PHE 5 9.959 -6.018 1.981 42 HE2 PHE 5 2HE PHE 5 9.609 -9.992 3.576 43 HZ PHE 5 HZ PHE 5 10.039 -8.477 1.662 44 H ASN 6 H ASN 6 6.808 -8.117 4.882 45 HA ASN 6 HA ASN 6 5.988 -6.220 2.934 46 1HB ASN 6 2HB ASN 6 6.743 -8.555 2.458 47 2HB ASN 6 1HB ASN 6 5.233 -9.137 3.151 48 1HD2 ASN 6 1HD2 ASN 6 4.358 -9.982 1.196 49 2HD2 ASN 6 2HD2 ASN 6 3.938 -8.995 -0.126 50 H LYS 7 H LYS 7 4.287 -8.307 5.209 51 HA LYS 7 HA LYS 7 1.649 -7.693 4.454 52 1HB LYS 7 2HB LYS 7 2.597 -9.530 6.067 53 2HB LYS 7 1HB LYS 7 2.474 -8.276 7.291 54 1HG LYS 7 2HG LYS 7 0.446 -9.556 7.372 55 2HG LYS 7 1HG LYS 7 0.050 -7.999 6.649 56 1HD LYS 7 2HD LYS 7 -0.235 -8.908 4.528 57 2HD LYS 7 1HD LYS 7 0.856 -10.251 4.848 58 1HE LYS 7 2HE LYS 7 -1.474 -11.028 4.737 59 2HE LYS 7 1HE LYS 7 -0.813 -11.263 6.349 60 1HZ LYS 7 1HZ LYS 7 -1.881 -8.726 6.352 61 2HZ LYS 7 2HZ LYS 7 -2.535 -10.106 7.099 62 3HZ LYS 7 3HZ LYS 7 -3.021 -9.674 5.529 63 H GLU 8 H GLU 8 3.912 -6.322 6.782 64 HA GLU 8 HA GLU 8 2.104 -4.326 7.690 65 1HB GLU 8 2HB GLU 8 3.897 -5.115 9.126 66 2HB GLU 8 1HB GLU 8 5.107 -4.527 7.985 67 1HG GLU 8 2HG GLU 8 4.804 -2.926 9.848 68 2HG GLU 8 1HG GLU 8 4.284 -2.208 8.328 69 H LEU 9 H LEU 9 4.652 -4.426 5.309 70 HA LEU 9 HA LEU 9 4.753 -1.665 4.629 71 1HB LEU 9 2HB LEU 9 6.473 -3.187 3.827 72 2HB LEU 9 1HB LEU 9 5.274 -4.168 2.988 73 HG LEU 9 HG LEU 9 4.700 -1.998 1.686 74 1HD1 LEU 9 1HD1 LEU 9 7.411 -1.031 1.793 75 2HD1 LEU 9 2HD1 LEU 9 6.675 -0.908 3.392 76 3HD1 LEU 9 3HD1 LEU 9 5.909 -0.164 1.990 77 1HD2 LEU 9 1HD2 LEU 9 5.791 -3.870 0.656 78 2HD2 LEU 9 2HD2 LEU 9 7.343 -3.399 1.346 79 3HD2 LEU 9 3HD2 LEU 9 6.568 -2.381 0.128 80 H GLY 10 H GLY 10 2.755 -4.361 3.599 81 1HA GLY 10 2HA GLY 10 1.249 -2.837 1.751 82 2HA GLY 10 1HA GLY 10 0.872 -4.445 2.339 83 H TRP 11 H TRP 11 0.871 -3.941 5.105 84 HA TRP 11 HA TRP 11 -1.713 -2.927 5.266 85 1HB TRP 11 2HB TRP 11 -0.493 -4.656 6.845 86 2HB TRP 11 1HB TRP 11 -0.324 -3.189 7.817 87 HD1 TRP 11 HD TRP 11 -2.171 -3.742 9.547 88 HE1 TRP 11 1HE TRP 11 -4.743 -3.901 9.436 89 HE3 TRP 11 3HE TRP 11 -2.948 -3.742 4.453 90 HZ2 TRP 11 2HZ TRP 11 -6.829 -3.940 7.503 91 HZ3 TRP 11 3HZ TRP 11 -5.181 -3.788 3.523 92 HH2 TRP 11 HH TRP 11 -7.161 -3.909 5.042 93 H ALA 12 H ALA 12 1.256 -1.593 6.545 94 HA ALA 12 HA ALA 12 0.052 0.623 7.683 95 1HB ALA 12 1HB ALA 12 2.440 1.666 6.953 96 2HB ALA 12 2HB ALA 12 2.783 -0.048 6.737 97 3HB ALA 12 3HB ALA 12 2.255 0.548 8.305 98 H THR 13 H THR 13 1.055 -0.056 4.370 99 HA THR 13 HA THR 13 0.676 2.450 3.154 100 HB THR 13 HB THR 13 0.388 -0.391 2.252 101 HG1 THR 13 1HG THR 13 2.417 -0.017 2.128 102 1HG2 THR 13 1HG2 THR 13 -0.164 2.127 0.692 103 2HG2 THR 13 2HG2 THR 13 -1.171 0.680 0.827 104 3HG2 THR 13 3HG2 THR 13 0.337 0.625 -0.085 105 H TRP 14 H TRP 14 -1.583 -0.212 3.754 106 HA TRP 14 HA TRP 14 -3.900 1.019 2.673 107 1HB TRP 14 2HB TRP 14 -3.470 -1.436 3.255 108 2HB TRP 14 1HB TRP 14 -3.857 -0.998 4.904 109 HD1 TRP 14 HD TRP 14 -6.312 -0.846 5.552 110 HE1 TRP 14 1HE TRP 14 -8.540 -1.121 4.305 111 HE3 TRP 14 3HE TRP 14 -4.654 -0.808 0.699 112 HZ2 TRP 14 2HZ TRP 14 -9.485 -1.312 1.624 113 HZ3 TRP 14 3HZ TRP 14 -6.227 -1.040 -1.131 114 HH2 TRP 14 HH TRP 14 -8.618 -1.300 -0.689 115 H GLU 15 H GLU 15 -2.665 0.723 5.989 116 HA GLU 15 HA GLU 15 -4.808 1.977 7.299 117 1HB GLU 15 2HB GLU 15 -1.876 1.769 8.034 118 2HB GLU 15 1HB GLU 15 -3.145 2.302 9.139 119 1HG GLU 15 2HG GLU 15 -4.268 0.170 9.015 120 2HG GLU 15 1HG GLU 15 -3.249 -0.367 7.683 121 H ILE 16 H ILE 16 -1.889 3.262 5.799 122 HA ILE 16 HA ILE 16 -2.325 6.015 6.548 123 HB ILE 16 HB ILE 16 -0.648 4.710 4.352 124 1HG1 ILE 16 2HG1 ILE 16 0.196 5.919 6.987 125 2HG1 ILE 16 1HG1 ILE 16 -0.035 4.211 6.751 126 1HG2 ILE 16 1HG2 ILE 16 -0.447 6.792 3.503 127 2HG2 ILE 16 2HG2 ILE 16 0.488 7.173 4.944 128 3HG2 ILE 16 3HG2 ILE 16 -1.239 7.529 4.894 129 1HD1 ILE 16 1HD1 ILE 16 2.024 4.007 5.837 130 2HD1 ILE 16 2HD1 ILE 16 2.315 5.694 6.243 131 3HD1 ILE 16 3HD1 ILE 16 1.669 5.273 4.653 132 H PHE 17 H PHE 17 -3.135 3.887 3.885 133 HA PHE 17 HA PHE 17 -4.222 5.737 2.023 134 1HB PHE 17 2HB PHE 17 -3.638 3.097 1.996 135 2HB PHE 17 1HB PHE 17 -5.359 2.994 2.258 136 HD1 PHE 17 1HD PHE 17 -6.906 3.499 0.520 137 HD2 PHE 17 2HD PHE 17 -2.712 4.218 -0.051 138 HE1 PHE 17 1HE PHE 17 -7.282 3.728 -1.911 139 HE2 PHE 17 2HE PHE 17 -3.078 4.457 -2.485 140 HZ PHE 17 HZ PHE 17 -5.367 4.203 -3.404 141 H ASN 18 H ASN 18 -5.527 3.928 4.739 142 HA ASN 18 HA ASN 18 -8.261 4.823 4.298 143 1HB ASN 18 2HB ASN 18 -6.969 2.985 6.318 144 2HB ASN 18 1HB ASN 18 -8.672 3.424 6.377 145 1HD2 ASN 18 1HD2 ASN 18 -6.450 2.454 3.684 146 2HD2 ASN 18 2HD2 ASN 18 -7.488 1.254 3.085 147 H LEU 19 H LEU 19 -5.694 6.435 5.616 148 HA LEU 19 HA LEU 19 -6.781 7.202 8.120 149 1HB LEU 19 2HB LEU 19 -4.518 8.071 6.471 150 2HB LEU 19 1HB LEU 19 -5.206 9.349 7.469 151 HG LEU 19 HG LEU 19 -4.294 6.626 8.484 152 1HD1 LEU 19 1HD1 LEU 19 -3.120 9.385 8.521 153 2HD1 LEU 19 2HD1 LEU 19 -2.375 7.890 7.965 154 3HD1 LEU 19 3HD1 LEU 19 -2.632 8.161 9.686 155 1HD2 LEU 19 1HD2 LEU 19 -4.459 8.369 10.627 156 2HD2 LEU 19 2HD2 LEU 19 -5.667 7.146 10.218 157 3HD2 LEU 19 3HD2 LEU 19 -5.872 8.807 9.671 158 HA PRO 20 HA PRO 20 -9.898 9.901 6.470 159 1HB PRO 20 2HB PRO 20 -10.479 10.884 9.127 160 2HB PRO 20 1HB PRO 20 -11.355 9.660 8.194 161 1HG PRO 20 2HG PRO 20 -9.975 9.143 10.479 162 2HG PRO 20 1HG PRO 20 -10.256 7.944 9.202 163 1HD PRO 20 2HD PRO 20 -7.816 9.640 9.678 164 2HD PRO 20 1HD PRO 20 -7.917 7.906 9.322 165 H ASN 21 H ASN 21 -6.954 11.146 7.174 166 HA ASN 21 HA ASN 21 -7.996 13.899 6.832 167 1HB ASN 21 2HB ASN 21 -6.311 12.984 9.135 168 2HB ASN 21 1HB ASN 21 -6.318 14.662 8.610 169 1HD2 ASN 21 1HD2 ASN 21 -8.095 12.260 10.380 170 2HD2 ASN 21 2HD2 ASN 21 -9.442 13.228 10.733 171 H LEU 22 H LEU 22 -5.830 11.615 5.809 172 HA LEU 22 HA LEU 22 -3.670 13.474 5.169 173 1HB LEU 22 2HB LEU 22 -4.052 10.571 4.422 174 2HB LEU 22 1HB LEU 22 -2.598 11.526 4.128 175 HG LEU 22 HG LEU 22 -3.799 10.974 6.859 176 1HD1 LEU 22 1HD1 LEU 22 -2.847 8.956 6.111 177 2HD1 LEU 22 2HD1 LEU 22 -1.585 9.708 7.084 178 3HD1 LEU 22 3HD1 LEU 22 -1.501 9.773 5.325 179 1HD2 LEU 22 1HD2 LEU 22 -1.511 12.629 5.863 180 2HD2 LEU 22 2HD2 LEU 22 -1.332 11.780 7.394 181 3HD2 LEU 22 3HD2 LEU 22 -2.632 12.955 7.192 182 H ASN 23 H ASN 23 -2.991 13.997 3.053 183 HA ASN 23 HA ASN 23 -5.221 13.975 1.119 184 1HB ASN 23 2HB ASN 23 -4.191 15.843 0.040 185 2HB ASN 23 1HB ASN 23 -4.188 16.180 1.765 186 1HD2 ASN 23 1HD2 ASN 23 -2.353 17.292 -0.292 187 2HD2 ASN 23 2HD2 ASN 23 -0.789 16.843 0.190 188 H GLY 24 H GLY 24 -4.581 13.713 -1.186 189 1HA GLY 24 2HA GLY 24 -3.591 11.215 -1.716 190 2HA GLY 24 1HA GLY 24 -3.608 12.519 -2.896 191 H VAL 25 H VAL 25 -1.724 14.209 -1.413 192 HA VAL 25 HA VAL 25 0.701 13.082 -2.455 193 HB VAL 25 HB VAL 25 0.192 15.598 -0.869 194 1HG1 VAL 25 1HG1 VAL 25 2.489 15.143 -0.515 195 2HG1 VAL 25 2HG1 VAL 25 2.498 16.164 -1.952 196 3HG1 VAL 25 3HG1 VAL 25 2.677 14.415 -2.111 197 1HG2 VAL 25 1HG2 VAL 25 0.457 14.882 -3.797 198 2HG2 VAL 25 2HG2 VAL 25 0.706 16.537 -3.227 199 3HG2 VAL 25 3HG2 VAL 25 -0.857 15.752 -3.003 200 H GLN 26 H GLN 26 -0.365 13.846 0.915 201 HA GLN 26 HA GLN 26 2.005 12.915 2.092 202 1HB GLN 26 2HB GLN 26 -0.724 13.510 3.061 203 2HB GLN 26 1HB GLN 26 0.291 12.501 4.084 204 1HG GLN 26 2HG GLN 26 1.761 14.188 4.556 205 2HG GLN 26 1HG GLN 26 1.659 14.864 2.926 206 1HE2 GLN 26 1HE2 GLN 26 -0.213 14.571 5.930 207 2HE2 GLN 26 2HE2 GLN 26 -1.026 16.048 5.757 208 H VAL 27 H VAL 27 -1.024 11.234 1.339 209 HA VAL 27 HA VAL 27 -0.285 8.741 2.480 210 HB VAL 27 HB VAL 27 -2.126 9.284 0.127 211 1HG1 VAL 27 1HG1 VAL 27 -1.443 6.933 0.231 212 2HG1 VAL 27 2HG1 VAL 27 -3.111 7.083 0.782 213 3HG1 VAL 27 3HG1 VAL 27 -1.809 6.882 1.956 214 1HG2 VAL 27 1HG2 VAL 27 -2.671 8.996 3.106 215 2HG2 VAL 27 2HG2 VAL 27 -3.914 9.108 1.859 216 3HG2 VAL 27 3HG2 VAL 27 -2.841 10.472 2.158 217 H LYS 28 H LYS 28 0.097 10.141 -0.733 218 HA LYS 28 HA LYS 28 1.347 7.945 -2.004 219 1HB LYS 28 2HB LYS 28 0.371 9.910 -3.197 220 2HB LYS 28 1HB LYS 28 1.669 10.923 -2.576 221 1HG LYS 28 2HG LYS 28 3.301 9.357 -3.731 222 2HG LYS 28 1HG LYS 28 1.906 8.568 -4.478 223 1HD LYS 28 2HD LYS 28 1.208 10.766 -5.426 224 2HD LYS 28 1HD LYS 28 2.658 11.500 -4.746 225 1HE LYS 28 2HE LYS 28 2.793 9.130 -6.622 226 2HE LYS 28 1HE LYS 28 2.784 10.792 -7.209 227 1HZ LYS 28 1HZ LYS 28 4.777 11.264 -6.113 228 2HZ LYS 28 2HZ LYS 28 5.030 9.733 -6.804 229 3HZ LYS 28 3HZ LYS 28 4.693 9.875 -5.145 230 H ALA 29 H ALA 29 2.551 10.565 -0.010 231 HA ALA 29 HA ALA 29 5.319 10.123 -0.465 232 1HB ALA 29 1HB ALA 29 4.235 12.230 0.441 233 2HB ALA 29 2HB ALA 29 5.684 11.673 1.278 234 3HB ALA 29 3HB ALA 29 4.093 11.365 1.971 235 H PHE 30 H PHE 30 3.043 9.162 2.051 236 HA PHE 30 HA PHE 30 4.913 7.856 3.657 237 1HB PHE 30 2HB PHE 30 1.943 7.424 3.363 238 2HB PHE 30 1HB PHE 30 2.948 6.736 4.632 239 HD1 PHE 30 1HD PHE 30 0.587 9.126 4.329 240 HD2 PHE 30 2HD PHE 30 4.756 8.867 5.437 241 HE1 PHE 30 1HE PHE 30 0.382 11.182 5.662 242 HE2 PHE 30 2HE PHE 30 4.517 10.943 6.737 243 HZ PHE 30 HZ PHE 30 2.337 12.080 6.849 244 H ILE 31 H ILE 31 2.933 6.935 0.898 245 HA ILE 31 HA ILE 31 3.618 4.185 0.929 246 HB ILE 31 HB ILE 31 2.562 6.040 -1.184 247 1HG1 ILE 31 2HG1 ILE 31 1.524 3.416 -0.057 248 2HG1 ILE 31 1HG1 ILE 31 1.101 4.996 0.591 249 1HG2 ILE 31 1HG2 ILE 31 3.795 3.303 -1.608 250 2HG2 ILE 31 2HG2 ILE 31 3.939 4.744 -2.608 251 3HG2 ILE 31 3HG2 ILE 31 2.439 3.820 -2.607 252 1HD1 ILE 31 1HD1 ILE 31 0.141 5.641 -1.579 253 2HD1 ILE 31 2HD1 ILE 31 -0.623 4.171 -0.972 254 3HD1 ILE 31 3HD1 ILE 31 0.589 4.071 -2.249 255 H ASP 32 H ASP 32 4.917 7.001 -0.751 256 HA ASP 32 HA ASP 32 6.954 5.718 -2.136 257 1HB ASP 32 2HB ASP 32 6.236 8.096 -2.459 258 2HB ASP 32 1HB ASP 32 7.084 8.507 -0.972 259 H SER 33 H SER 33 6.913 6.998 1.105 260 HA SER 33 HA SER 33 9.648 6.492 1.737 261 1HB SER 33 2HB SER 33 7.218 6.802 3.526 262 2HB SER 33 1HB SER 33 8.898 6.823 4.070 263 HG SER 33 HG SER 33 7.724 8.581 2.170 264 H LEU 34 H LEU 34 6.656 4.715 2.017 265 HA LEU 34 HA LEU 34 7.451 2.431 3.526 266 1HB LEU 34 2HB LEU 34 5.261 3.315 1.774 267 2HB LEU 34 1HB LEU 34 5.546 1.607 1.753 268 HG LEU 34 HG LEU 34 5.588 2.622 4.446 269 1HD1 LEU 34 1HD1 LEU 34 2.924 2.759 4.251 270 2HD1 LEU 34 2HD1 LEU 34 3.333 3.359 2.650 271 3HD1 LEU 34 3HD1 LEU 34 3.935 4.191 4.081 272 1HD2 LEU 34 1HD2 LEU 34 5.378 0.331 4.056 273 2HD2 LEU 34 2HD2 LEU 34 4.136 0.541 2.850 274 3HD2 LEU 34 3HD2 LEU 34 3.770 0.815 4.556 275 H ARG 35 H ARG 35 7.185 2.901 0.014 276 HA ARG 35 HA ARG 35 8.318 0.394 -0.723 277 1HB ARG 35 2HB ARG 35 8.964 2.451 -2.671 278 2HB ARG 35 1HB ARG 35 7.886 1.069 -2.829 279 1HG ARG 35 2HG ARG 35 6.173 2.407 -1.539 280 2HG ARG 35 1HG ARG 35 7.252 3.781 -1.694 281 1HD ARG 35 2HD ARG 35 5.301 2.807 -3.552 282 2HD ARG 35 1HD ARG 35 6.281 4.262 -3.638 283 HE ARG 35 HE ARG 35 7.846 3.087 -4.938 284 1HH1 ARG 35 1HH1 ARG 35 5.924 0.739 -3.464 285 2HH1 ARG 35 2HH1 ARG 35 5.885 -0.332 -4.831 286 1HH2 ARG 35 1HH2 ARG 35 7.479 1.907 -6.937 287 2HH2 ARG 35 2HH2 ARG 35 6.781 0.330 -6.791 288 H ASP 36 H ASP 36 9.715 3.611 -0.333 289 HA ASP 36 HA ASP 36 12.368 3.018 -1.051 290 1HB ASP 36 2HB ASP 36 11.401 5.307 -0.829 291 2HB ASP 36 1HB ASP 36 11.436 5.079 0.908 292 H ASP 37 H ASP 37 10.571 2.715 1.915 293 HA ASP 37 HA ASP 37 12.620 0.998 3.034 294 1HB ASP 37 2HB ASP 37 13.155 3.430 3.711 295 2HB ASP 37 1HB ASP 37 11.717 3.329 4.724 296 HA PRO 38 HA PRO 38 8.484 -0.483 4.023 297 1HB PRO 38 2HB PRO 38 9.557 -3.132 3.942 298 2HB PRO 38 1HB PRO 38 8.444 -2.359 2.826 299 1HG PRO 38 2HG PRO 38 11.049 -3.087 2.270 300 2HG PRO 38 1HG PRO 38 10.057 -1.964 1.328 301 1HD PRO 38 2HD PRO 38 12.244 -1.380 3.248 302 2HD PRO 38 1HD PRO 38 11.667 -0.432 1.858 303 H SER 39 H SER 39 11.563 -1.197 5.458 304 HA SER 39 HA SER 39 10.632 -2.529 7.794 305 1HB SER 39 2HB SER 39 13.103 -0.784 7.572 306 2HB SER 39 1HB SER 39 12.814 -2.085 8.722 307 HG SER 39 HG SER 39 13.218 -2.235 5.924 308 H GLN 40 H GLN 40 10.694 0.706 6.665 309 HA GLN 40 HA GLN 40 10.156 1.934 9.254 310 1HB GLN 40 2HB GLN 40 11.738 2.850 7.452 311 2HB GLN 40 1HB GLN 40 10.284 3.279 6.556 312 1HG GLN 40 2HG GLN 40 9.535 4.706 8.384 313 2HG GLN 40 1HG GLN 40 10.906 4.212 9.374 314 1HE2 GLN 40 1HE2 GLN 40 12.784 5.464 9.167 315 2HE2 GLN 40 2HE2 GLN 40 13.052 6.592 7.927 316 H SER 41 H SER 41 8.240 0.379 7.022 317 HA SER 41 HA SER 41 6.170 2.022 6.288 318 1HB SER 41 2HB SER 41 5.792 -0.770 7.397 319 2HB SER 41 1HB SER 41 4.766 0.058 6.237 320 HG SER 41 HG SER 41 7.503 -0.303 5.743 321 H ALA 42 H ALA 42 6.575 0.463 9.452 322 HA ALA 42 HA ALA 42 4.080 1.156 10.581 323 1HB ALA 42 1HB ALA 42 5.704 -0.513 11.495 324 2HB ALA 42 2HB ALA 42 5.152 0.658 12.695 325 3HB ALA 42 3HB ALA 42 6.748 0.835 11.955 326 H ASN 43 H ASN 43 7.184 2.709 10.388 327 HA ASN 43 HA ASN 43 6.698 4.857 12.136 328 1HB ASN 43 2HB ASN 43 8.708 4.010 10.155 329 2HB ASN 43 1HB ASN 43 8.651 5.743 10.499 330 1HD2 ASN 43 1HD2 ASN 43 9.960 2.801 11.572 331 2HD2 ASN 43 2HD2 ASN 43 10.394 3.281 13.141 332 H LEU 44 H LEU 44 6.267 4.332 8.746 333 HA LEU 44 HA LEU 44 5.696 7.026 7.988 334 1HB LEU 44 2HB LEU 44 5.157 4.374 6.612 335 2HB LEU 44 1HB LEU 44 5.186 5.971 5.839 336 HG LEU 44 HG LEU 44 7.501 4.949 7.469 337 1HD1 LEU 44 1HD1 LEU 44 7.659 3.383 5.867 338 2HD1 LEU 44 2HD1 LEU 44 8.504 4.700 5.059 339 3HD1 LEU 44 3HD1 LEU 44 6.818 4.356 4.661 340 1HD2 LEU 44 1HD2 LEU 44 7.052 7.182 5.556 341 2HD2 LEU 44 2HD2 LEU 44 8.659 6.676 6.078 342 3HD2 LEU 44 3HD2 LEU 44 7.484 7.261 7.260 343 H LEU 45 H LEU 45 4.008 4.193 8.843 344 HA LEU 45 HA LEU 45 1.345 5.122 8.449 345 1HB LEU 45 2HB LEU 45 1.622 2.775 8.688 346 2HB LEU 45 1HB LEU 45 2.595 2.955 10.142 347 HG LEU 45 HG LEU 45 0.630 3.762 11.379 348 1HD1 LEU 45 1HD1 LEU 45 -0.664 4.894 9.738 349 2HD1 LEU 45 2HD1 LEU 45 -1.631 3.493 10.189 350 3HD1 LEU 45 3HD1 LEU 45 -0.712 3.481 8.685 351 1HD2 LEU 45 1HD2 LEU 45 -0.663 1.641 11.333 352 2HD2 LEU 45 2HD2 LEU 45 1.079 1.366 11.331 353 3HD2 LEU 45 3HD2 LEU 45 0.159 1.194 9.835 354 H ALA 46 H ALA 46 3.704 5.224 10.987 355 HA ALA 46 HA ALA 46 2.140 6.363 13.032 356 1HB ALA 46 1HB ALA 46 5.067 6.924 12.698 357 2HB ALA 46 2HB ALA 46 4.528 5.298 13.122 358 3HB ALA 46 3HB ALA 46 4.164 6.652 14.190 359 H GLU 47 H GLU 47 4.306 7.647 10.615 360 HA GLU 47 HA GLU 47 4.143 10.368 11.237 361 1HB GLU 47 2HB GLU 47 4.760 8.742 8.809 362 2HB GLU 47 1HB GLU 47 4.652 10.494 8.680 363 1HG GLU 47 2HG GLU 47 6.551 8.876 10.373 364 2HG GLU 47 1HG GLU 47 6.941 9.889 8.990 365 H ALA 48 H ALA 48 2.268 8.220 9.226 366 HA ALA 48 HA ALA 48 0.673 10.147 7.976 367 1HB ALA 48 1HB ALA 48 -0.508 7.515 8.498 368 2HB ALA 48 2HB ALA 48 1.092 7.462 7.784 369 3HB ALA 48 3HB ALA 48 -0.200 8.324 6.966 370 H LYS 49 H LYS 49 0.164 8.096 10.832 371 HA LYS 49 HA LYS 49 -2.391 9.089 11.510 372 1HB LYS 49 2HB LYS 49 -0.187 7.888 13.202 373 2HB LYS 49 1HB LYS 49 -1.766 8.329 13.851 374 1HG LYS 49 2HG LYS 49 -2.846 6.851 12.159 375 2HG LYS 49 1HG LYS 49 -1.250 6.357 11.602 376 1HD LYS 49 2HD LYS 49 -0.734 5.522 13.892 377 2HD LYS 49 1HD LYS 49 -2.369 5.955 14.393 378 1HE LYS 49 2HE LYS 49 -3.193 4.463 12.476 379 2HE LYS 49 1HE LYS 49 -1.538 3.863 12.372 380 1HZ LYS 49 1HZ LYS 49 -3.351 3.725 14.714 381 2HZ LYS 49 2HZ LYS 49 -1.698 3.335 14.777 382 3HZ LYS 49 3HZ LYS 49 -2.751 2.427 13.801 383 H LYS 50 H LYS 50 0.858 10.309 11.957 384 HA LYS 50 HA LYS 50 0.107 12.346 13.804 385 1HB LYS 50 2HB LYS 50 2.561 11.450 12.492 386 2HB LYS 50 1HB LYS 50 2.463 13.196 12.664 387 1HG LYS 50 2HG LYS 50 3.017 13.028 14.841 388 2HG LYS 50 1HG LYS 50 1.589 12.044 15.137 389 1HD LYS 50 2HD LYS 50 3.538 10.790 15.840 390 2HD LYS 50 1HD LYS 50 2.887 10.030 14.394 391 1HE LYS 50 2HE LYS 50 4.629 11.735 13.224 392 2HE LYS 50 1HE LYS 50 5.445 11.513 14.771 393 1HZ LYS 50 1HZ LYS 50 4.494 9.279 13.068 394 2HZ LYS 50 2HZ LYS 50 5.469 9.170 14.455 395 3HZ LYS 50 3HZ LYS 50 6.079 9.880 13.036 396 H LEU 51 H LEU 51 0.607 12.107 10.361 397 HA LEU 51 HA LEU 51 0.203 14.866 9.843 398 1HB LEU 51 2HB LEU 51 0.497 12.411 8.212 399 2HB LEU 51 1HB LEU 51 -0.394 13.734 7.472 400 HG LEU 51 HG LEU 51 1.922 13.973 6.878 401 1HD1 LEU 51 1HD1 LEU 51 1.792 16.039 9.006 402 2HD1 LEU 51 2HD1 LEU 51 0.444 15.980 7.871 403 3HD1 LEU 51 3HD1 LEU 51 2.087 16.213 7.276 404 1HD2 LEU 51 1HD2 LEU 51 3.528 14.479 8.916 405 2HD2 LEU 51 2HD2 LEU 51 3.218 12.816 8.434 406 3HD2 LEU 51 3HD2 LEU 51 2.362 13.507 9.811 407 H ASN 52 H ASN 52 -1.832 12.010 9.777 408 HA ASN 52 HA ASN 52 -4.193 13.189 8.835 409 1HB ASN 52 2HB ASN 52 -4.674 10.982 8.876 410 2HB ASN 52 1HB ASN 52 -3.302 10.665 9.919 411 1HD2 ASN 52 1HD2 ASN 52 -6.725 11.329 9.887 412 2HD2 ASN 52 2HD2 ASN 52 -7.013 10.894 11.500 413 H ASP 53 H ASP 53 -2.877 12.571 12.061 414 HA ASP 53 HA ASP 53 -5.007 13.687 13.507 415 1HB ASP 53 2HB ASP 53 -3.365 12.260 14.594 416 2HB ASP 53 1HB ASP 53 -2.105 13.457 14.304 417 H ALA 54 H ALA 54 -2.029 15.065 12.239 418 HA ALA 54 HA ALA 54 -2.263 17.639 13.339 419 1HB ALA 54 1HB ALA 54 -0.163 17.044 12.408 420 2HB ALA 54 2HB ALA 54 -0.813 18.264 11.313 421 3HB ALA 54 3HB ALA 54 -0.893 16.555 10.881 422 H GLN 55 H GLN 55 -3.507 16.125 10.413 423 HA GLN 55 HA GLN 55 -4.793 18.571 9.484 424 1HB GLN 55 2HB GLN 55 -4.619 15.734 8.478 425 2HB GLN 55 1HB GLN 55 -5.661 16.938 7.709 426 1HG GLN 55 2HG GLN 55 -3.793 18.345 7.179 427 2HG GLN 55 1HG GLN 55 -2.712 17.415 8.216 428 1HE2 GLN 55 1HE2 GLN 55 -2.672 14.938 7.537 429 2HE2 GLN 55 2HE2 GLN 55 -2.532 14.659 5.869 430 H ALA 56 H ALA 56 -5.482 16.225 11.754 431 HA ALA 56 HA ALA 56 -8.371 16.159 11.330 432 1HB ALA 56 1HB ALA 56 -8.410 14.650 13.264 433 2HB ALA 56 2HB ALA 56 -6.698 14.952 13.551 434 3HB ALA 56 3HB ALA 56 -7.210 14.106 12.094 435 HA PRO 57 HA PRO 57 -9.498 19.734 13.611 436 1HB PRO 57 2HB PRO 57 -11.510 18.349 15.115 437 2HB PRO 57 1HB PRO 57 -11.711 19.363 13.682 438 1HG PRO 57 2HG PRO 57 -11.539 16.446 13.905 439 2HG PRO 57 1HG PRO 57 -12.381 17.454 12.713 440 1HD PRO 57 2HD PRO 57 -10.153 16.172 12.043 441 2HD PRO 57 1HD PRO 57 -10.451 17.832 11.475 442 H LYS 58 H LYS 58 -9.289 20.634 15.533 443 HA LYS 58 HA LYS 58 -8.520 19.076 17.900 444 1HB LYS 58 2HB LYS 58 -6.900 21.347 16.808 445 2HB LYS 58 1HB LYS 58 -6.609 20.562 18.347 446 1HG LYS 58 2HG LYS 58 -6.565 19.115 15.678 447 2HG LYS 58 1HG LYS 58 -5.127 19.751 16.468 448 1HD LYS 58 2HD LYS 58 -5.559 18.331 18.438 449 2HD LYS 58 1HD LYS 58 -7.016 17.699 17.677 450 1HE LYS 58 2HE LYS 58 -4.435 17.504 16.166 451 2HE LYS 58 1HE LYS 58 -4.711 16.388 17.504 452 1HZ LYS 58 1HZ LYS 58 -6.959 16.716 15.717 453 2HZ LYS 58 2HZ LYS 58 -6.293 15.301 16.383 454 3HZ LYS 58 3HZ LYS 58 -5.595 16.005 15.004 455 1H VAL 1 1HT VAL 1 -16.872 -6.880 7.962 456 2H VAL 1 2HT VAL 1 -16.627 -5.200 7.909 457 3H VAL 1 3HT VAL 1 -15.982 -6.116 9.186 458 HA VAL 1 HA VAL 1 -14.423 -5.379 7.313 459 HB VAL 1 HB VAL 1 -13.884 -7.004 9.129 460 1HG1 VAL 1 1HG1 VAL 1 -15.744 -8.611 8.556 461 2HG1 VAL 1 2HG1 VAL 1 -14.179 -9.382 8.803 462 3HG1 VAL 1 3HG1 VAL 1 -14.790 -9.136 7.169 463 1HG2 VAL 1 1HG2 VAL 1 -11.990 -7.951 8.048 464 2HG2 VAL 1 2HG2 VAL 1 -12.343 -6.492 7.123 465 3HG2 VAL 1 3HG2 VAL 1 -12.826 -8.071 6.501 466 H ASP 2 H ASP 2 -13.516 -6.214 5.305 467 HA ASP 2 HA ASP 2 -15.554 -6.782 3.350 468 1HB ASP 2 2HB ASP 2 -13.777 -6.545 1.727 469 2HB ASP 2 1HB ASP 2 -13.582 -5.286 2.942 470 H ASN 3 H ASN 3 -14.169 -8.421 1.562 471 HA ASN 3 HA ASN 3 -14.921 -10.992 2.349 472 1HB ASN 3 2HB ASN 3 -14.596 -10.135 -0.007 473 2HB ASN 3 1HB ASN 3 -12.861 -10.300 0.243 474 1HD2 ASN 3 1HD2 ASN 3 -12.695 -11.990 -1.394 475 2HD2 ASN 3 2HD2 ASN 3 -13.302 -13.551 -1.118 476 H LYS 4 H LYS 4 -13.376 -12.903 2.358 477 HA LYS 4 HA LYS 4 -11.656 -12.804 4.553 478 1HB LYS 4 2HB LYS 4 -10.962 -15.045 3.912 479 2HB LYS 4 1HB LYS 4 -12.693 -14.868 3.644 480 1HG LYS 4 2HG LYS 4 -12.196 -14.327 1.235 481 2HG LYS 4 1HG LYS 4 -10.503 -14.710 1.551 482 1HD LYS 4 2HD LYS 4 -11.456 -16.708 0.667 483 2HD LYS 4 1HD LYS 4 -11.316 -16.975 2.405 484 1HE LYS 4 2HE LYS 4 -13.625 -16.651 2.764 485 2HE LYS 4 1HE LYS 4 -13.846 -15.843 1.210 486 1HZ LYS 4 1HZ LYS 4 -13.126 -18.705 1.560 487 2HZ LYS 4 2HZ LYS 4 -13.417 -17.916 0.084 488 3HZ LYS 4 3HZ LYS 4 -14.681 -18.130 1.199 489 H PHE 5 H PHE 5 -11.154 -11.884 1.321 490 HA PHE 5 HA PHE 5 -8.372 -12.192 1.093 491 1HB PHE 5 2HB PHE 5 -10.450 -10.573 -0.337 492 2HB PHE 5 1HB PHE 5 -8.738 -10.301 -0.673 493 HD1 PHE 5 1HD PHE 5 -10.961 -13.250 -0.024 494 HD2 PHE 5 2HD PHE 5 -7.908 -11.501 -2.492 495 HE1 PHE 5 1HE PHE 5 -10.909 -15.298 -1.419 496 HE2 PHE 5 2HE PHE 5 -7.856 -13.549 -3.883 497 HZ PHE 5 HZ PHE 5 -9.350 -15.450 -3.342 498 H ASN 6 H ASN 6 -9.882 -10.332 3.359 499 HA ASN 6 HA ASN 6 -8.602 -7.823 3.212 500 1HB ASN 6 2HB ASN 6 -10.381 -8.646 4.907 501 2HB ASN 6 1HB ASN 6 -9.025 -9.313 5.806 502 1HD2 ASN 6 1HD2 ASN 6 -7.505 -6.752 4.548 503 2HD2 ASN 6 2HD2 ASN 6 -7.907 -5.552 5.675 504 H LYS 7 H LYS 7 -7.547 -10.888 4.627 505 HA LYS 7 HA LYS 7 -4.969 -10.018 5.465 506 1HB LYS 7 2HB LYS 7 -5.943 -12.063 6.355 507 2HB LYS 7 1HB LYS 7 -6.050 -12.759 4.739 508 1HG LYS 7 2HG LYS 7 -3.547 -12.618 4.570 509 2HG LYS 7 1HG LYS 7 -3.505 -12.073 6.247 510 1HD LYS 7 2HD LYS 7 -4.461 -14.150 7.023 511 2HD LYS 7 1HD LYS 7 -4.786 -14.677 5.371 512 1HE LYS 7 2HE LYS 7 -1.997 -14.097 6.407 513 2HE LYS 7 1HE LYS 7 -2.720 -15.705 6.418 514 1HZ LYS 7 1HZ LYS 7 -1.647 -14.196 4.217 515 2HZ LYS 7 2HZ LYS 7 -3.180 -14.854 3.892 516 3HZ LYS 7 3HZ LYS 7 -1.899 -15.867 4.364 517 H GLU 8 H GLU 8 -6.179 -11.675 2.591 518 HA GLU 8 HA GLU 8 -3.750 -11.987 1.209 519 1HB GLU 8 2HB GLU 8 -6.578 -11.715 0.128 520 2HB GLU 8 1HB GLU 8 -5.197 -12.357 -0.765 521 1HG GLU 8 2HG GLU 8 -6.508 -13.535 1.702 522 2HG GLU 8 1HG GLU 8 -6.428 -14.244 0.090 523 H ARG 9 H ARG 9 -6.023 -9.325 1.353 524 HA ARG 9 HA ARG 9 -5.059 -7.845 -0.842 525 1HB ARG 9 2HB ARG 9 -7.277 -7.513 0.221 526 2HB ARG 9 1HB ARG 9 -6.474 -6.864 1.653 527 1HG ARG 9 2HG ARG 9 -5.418 -5.115 0.202 528 2HG ARG 9 1HG ARG 9 -6.356 -5.733 -1.152 529 1HD ARG 9 2HD ARG 9 -7.468 -3.790 -0.118 530 2HD ARG 9 1HD ARG 9 -8.444 -5.245 0.057 531 HE ARG 9 HE ARG 9 -6.661 -4.384 2.255 532 1HH1 ARG 9 1HH1 ARG 9 -9.122 -6.462 1.713 533 2HH1 ARG 9 2HH1 ARG 9 -10.196 -5.858 2.928 534 1HH2 ARG 9 1HH2 ARG 9 -8.353 -3.003 3.522 535 2HH2 ARG 9 2HH2 ARG 9 -9.767 -3.904 3.945 536 H VAL 10 H VAL 10 -4.340 -7.852 2.632 537 HA VAL 10 HA VAL 10 -2.676 -5.597 2.781 538 HB VAL 10 HB VAL 10 -2.348 -8.133 4.367 539 1HG1 VAL 10 1HG1 VAL 10 -1.342 -5.363 4.646 540 2HG1 VAL 10 2HG1 VAL 10 -0.582 -6.896 5.073 541 3HG1 VAL 10 3HG1 VAL 10 -1.818 -6.200 6.127 542 1HG2 VAL 10 1HG2 VAL 10 -4.648 -6.413 4.235 543 2HG2 VAL 10 2HG2 VAL 10 -3.898 -6.252 5.832 544 3HG2 VAL 10 3HG2 VAL 10 -4.391 -7.836 5.240 545 H ILE 11 H ILE 11 -2.030 -8.938 1.921 546 HA ILE 11 HA ILE 11 0.806 -8.702 1.771 547 HB ILE 11 HB ILE 11 -0.846 -10.685 0.207 548 1HG1 ILE 11 2HG1 ILE 11 -0.964 -10.232 3.041 549 2HG1 ILE 11 1HG1 ILE 11 -1.742 -11.502 2.114 550 1HG2 ILE 11 1HG2 ILE 11 1.832 -10.861 1.632 551 2HG2 ILE 11 2HG2 ILE 11 1.631 -10.597 -0.104 552 3HG2 ILE 11 3HG2 ILE 11 1.109 -12.116 0.624 553 1HD1 ILE 11 1HD1 ILE 11 0.292 -12.900 2.312 554 2HD1 ILE 11 2HD1 ILE 11 -0.320 -12.454 3.901 555 3HD1 ILE 11 3HD1 ILE 11 1.083 -11.621 3.235 556 H ALA 12 H ALA 12 -1.846 -8.330 -0.573 557 HA ALA 12 HA ALA 12 -0.216 -8.007 -2.886 558 1HB ALA 12 1HB ALA 12 -2.283 -6.905 -3.806 559 2HB ALA 12 2HB ALA 12 -3.020 -7.097 -2.217 560 3HB ALA 12 3HB ALA 12 -2.567 -8.519 -3.150 561 H ILE 13 H ILE 13 -1.713 -5.733 -0.623 562 HA ILE 13 HA ILE 13 -0.823 -3.364 -1.847 563 HB ILE 13 HB ILE 13 -1.219 -3.968 1.114 564 1HG1 ILE 13 2HG1 ILE 13 -3.118 -2.599 -0.769 565 2HG1 ILE 13 1HG1 ILE 13 -3.142 -4.344 -0.559 566 1HG2 ILE 13 1HG2 ILE 13 -1.098 -1.358 -0.416 567 2HG2 ILE 13 2HG2 ILE 13 -0.028 -1.871 0.880 568 3HG2 ILE 13 3HG2 ILE 13 -1.723 -1.510 1.227 569 1HD1 ILE 13 1HD1 ILE 13 -4.778 -3.245 0.914 570 2HD1 ILE 13 2HD1 ILE 13 -3.470 -2.299 1.619 571 3HD1 ILE 13 3HD1 ILE 13 -3.510 -4.041 1.854 572 H GLY 14 H GLY 14 0.628 -5.547 0.502 573 1HA GLY 14 2HA GLY 14 3.065 -4.173 0.908 574 2HA GLY 14 1HA GLY 14 2.812 -5.903 1.123 575 H GLU 15 H GLU 15 2.056 -6.567 -1.508 576 HA GLU 15 HA GLU 15 4.595 -6.909 -2.691 577 1HB GLU 15 2HB GLU 15 2.412 -8.314 -2.895 578 2HB GLU 15 1HB GLU 15 2.046 -7.234 -4.215 579 1HG GLU 15 2HG GLU 15 3.596 -8.203 -5.596 580 2HG GLU 15 1HG GLU 15 4.794 -8.252 -4.298 581 H ILE 16 H ILE 16 1.816 -4.774 -3.450 582 HA ILE 16 HA ILE 16 2.919 -3.672 -5.820 583 HB ILE 16 HB ILE 16 1.582 -1.782 -3.870 584 1HG1 ILE 16 2HG1 ILE 16 0.208 -3.886 -3.857 585 2HG1 ILE 16 1HG1 ILE 16 -0.632 -2.473 -4.434 586 1HG2 ILE 16 1HG2 ILE 16 0.583 -0.904 -5.949 587 2HG2 ILE 16 2HG2 ILE 16 1.422 -2.145 -6.871 588 3HG2 ILE 16 3HG2 ILE 16 2.338 -0.920 -6.009 589 1HD1 ILE 16 1HD1 ILE 16 -1.020 -4.499 -5.829 590 2HD1 ILE 16 2HD1 ILE 16 0.698 -4.489 -6.234 591 3HD1 ILE 16 3HD1 ILE 16 -0.334 -3.135 -6.715 592 H MET 17 H MET 17 3.121 -2.589 -2.496 593 HA MET 17 HA MET 17 4.866 -0.421 -2.792 594 1HB MET 17 2HB MET 17 4.464 -2.199 -0.405 595 2HB MET 17 1HB MET 17 5.084 -0.540 -0.412 596 1HG MET 17 2HG MET 17 2.368 -1.254 -1.534 597 2HG MET 17 1HG MET 17 2.596 -0.774 0.139 598 1HE MET 17 1HE MET 17 4.755 2.135 -0.263 599 2HE MET 17 2HE MET 17 4.083 0.817 0.719 600 3HE MET 17 3HE MET 17 3.205 2.347 0.566 601 H ARG 18 H ARG 18 5.519 -3.885 -2.432 602 HA ARG 18 HA ARG 18 8.306 -3.657 -1.919 603 1HB ARG 18 2HB ARG 18 6.605 -5.860 -2.978 604 2HB ARG 18 1HB ARG 18 8.341 -6.035 -2.845 605 1HG ARG 18 2HG ARG 18 7.435 -4.961 -0.378 606 2HG ARG 18 1HG ARG 18 6.343 -6.268 -0.798 607 1HD ARG 18 2HD ARG 18 9.354 -6.494 -0.744 608 2HD ARG 18 1HD ARG 18 8.280 -7.053 0.534 609 HE ARG 18 HE ARG 18 8.837 -8.413 -1.925 610 1HH1 ARG 18 1HH2 ARG 18 8.014 -9.834 0.568 611 2HH1 ARG 18 2HH2 ARG 18 6.416 -10.378 0.183 612 1HH2 ARG 18 1HH1 ARG 18 6.044 -8.222 -2.503 613 2HH2 ARG 18 2HH1 ARG 18 5.300 -9.466 -1.556 614 H LEU 19 H LEU 19 6.370 -3.868 -4.863 615 HA LEU 19 HA LEU 19 8.399 -4.312 -6.736 616 1HB LEU 19 2HB LEU 19 5.871 -2.703 -7.030 617 2HB LEU 19 1HB LEU 19 6.878 -3.199 -8.356 618 HG LEU 19 HG LEU 19 5.583 -5.123 -6.424 619 1HD1 LEU 19 1HD1 LEU 19 3.876 -3.902 -7.694 620 2HD1 LEU 19 2HD1 LEU 19 3.981 -5.566 -8.246 621 3HD1 LEU 19 3HD1 LEU 19 4.718 -4.275 -9.197 622 1HD2 LEU 19 1HD2 LEU 19 7.658 -5.487 -8.199 623 2HD2 LEU 19 2HD2 LEU 19 6.251 -6.007 -9.116 624 3HD2 LEU 19 3HD2 LEU 19 6.615 -6.750 -7.561 625 HA PRO 20 HA PRO 20 10.447 -0.376 -6.091 626 1HB PRO 20 2HB PRO 20 12.643 -1.360 -7.674 627 2HB PRO 20 1HB PRO 20 12.563 -1.133 -5.925 628 1HG PRO 20 2HG PRO 20 12.745 -3.550 -7.189 629 2HG PRO 20 1HG PRO 20 12.112 -3.306 -5.553 630 1HD PRO 20 2HD PRO 20 10.622 -3.709 -8.113 631 2HD PRO 20 1HD PRO 20 10.249 -4.288 -6.473 632 H ASN 21 H ASN 21 9.428 -1.775 -9.081 633 HA ASN 21 HA ASN 21 10.437 0.484 -10.656 634 1HB ASN 21 2HB ASN 21 8.884 -1.930 -11.579 635 2HB ASN 21 1HB ASN 21 9.676 -0.745 -12.600 636 1HD2 ASN 21 1HD2 ASN 21 10.187 -3.749 -12.152 637 2HD2 ASN 21 2HD2 ASN 21 11.850 -3.829 -11.818 638 H LEU 22 H LEU 22 7.501 -0.497 -9.066 639 HA LEU 22 HA LEU 22 5.708 0.957 -10.762 640 1HB LEU 22 2HB LEU 22 5.352 0.189 -7.863 641 2HB LEU 22 1HB LEU 22 4.091 0.817 -8.897 642 HG LEU 22 HG LEU 22 5.505 -1.838 -9.060 643 1HD1 LEU 22 1HD1 LEU 22 2.640 -0.912 -8.758 644 2HD1 LEU 22 2HD1 LEU 22 3.576 -1.906 -7.647 645 3HD1 LEU 22 3HD1 LEU 22 3.046 -2.571 -9.196 646 1HD2 LEU 22 1HD2 LEU 22 5.497 -1.184 -11.302 647 2HD2 LEU 22 2HD2 LEU 22 3.954 -0.328 -11.123 648 3HD2 LEU 22 3HD2 LEU 22 3.992 -2.082 -11.123 649 H ASN 23 H ASN 23 4.583 2.864 -10.251 650 HA ASN 23 HA ASN 23 6.263 4.945 -9.044 651 1HB ASN 23 2HB ASN 23 5.421 5.896 -10.948 652 2HB ASN 23 1HB ASN 23 4.134 4.734 -11.082 653 1HD2 ASN 23 1HD2 ASN 23 2.426 6.149 -11.506 654 2HD2 ASN 23 2HD2 ASN 23 1.923 7.358 -10.431 655 H SER 24 H SER 24 5.372 6.322 -7.330 656 HA SER 24 HA SER 24 4.087 4.878 -5.272 657 1HB SER 24 2HB SER 24 4.248 7.882 -5.607 658 2HB SER 24 1HB SER 24 3.884 7.028 -4.112 659 HG SER 24 HG SER 24 5.938 6.678 -3.867 660 H LEU 25 H LEU 25 2.899 7.173 -7.654 661 HA LEU 25 HA LEU 25 0.182 7.127 -6.803 662 1HB LEU 25 2HB LEU 25 1.725 8.466 -8.838 663 2HB LEU 25 1HB LEU 25 0.251 7.828 -9.514 664 HG LEU 25 HG LEU 25 0.430 9.544 -7.073 665 1HD1 LEU 25 1HD1 LEU 25 0.902 10.800 -9.140 666 2HD1 LEU 25 2HD1 LEU 25 -0.668 11.254 -8.480 667 3HD1 LEU 25 3HD1 LEU 25 -0.575 10.162 -9.862 668 1HD2 LEU 25 1HD2 LEU 25 -2.180 9.503 -7.968 669 2HD2 LEU 25 2HD2 LEU 25 -1.540 8.549 -6.629 670 3HD2 LEU 25 3HD2 LEU 25 -1.630 7.848 -8.244 671 H GLN 26 H GLN 26 2.135 5.272 -9.090 672 HA GLN 26 HA GLN 26 -0.001 3.897 -10.374 673 1HB GLN 26 2HB GLN 26 2.907 3.529 -10.104 674 2HB GLN 26 1HB GLN 26 2.007 2.042 -10.332 675 1HG GLN 26 2HG GLN 26 0.992 2.943 -12.381 676 2HG GLN 26 1HG GLN 26 1.860 4.465 -12.155 677 1HE2 GLN 26 1HE2 GLN 26 3.790 1.886 -11.071 678 2HE2 GLN 26 2HE2 GLN 26 4.719 1.689 -12.477 679 H VAL 27 H VAL 27 1.884 3.380 -7.494 680 HA VAL 27 HA VAL 27 0.874 0.843 -6.817 681 HB VAL 27 HB VAL 27 2.217 2.990 -5.180 682 1HG1 VAL 27 1HG1 VAL 27 0.842 0.544 -4.308 683 2HG1 VAL 27 2HG1 VAL 27 1.460 1.886 -3.352 684 3HG1 VAL 27 3HG1 VAL 27 2.538 0.579 -3.833 685 1HG2 VAL 27 1HG2 VAL 27 4.061 2.125 -6.157 686 2HG2 VAL 27 2HG2 VAL 27 3.069 0.956 -7.033 687 3HG2 VAL 27 3HG2 VAL 27 3.693 0.564 -5.430 688 H VAL 28 H VAL 28 -0.045 4.128 -5.979 689 HA VAL 28 HA VAL 28 -2.161 3.493 -4.243 690 HB VAL 28 HB VAL 28 -1.865 5.875 -6.102 691 1HG1 VAL 28 1HG1 VAL 28 -4.023 5.004 -4.522 692 2HG1 VAL 28 2HG1 VAL 28 -3.839 6.580 -5.286 693 3HG1 VAL 28 3HG1 VAL 28 -3.291 6.331 -3.626 694 1HG2 VAL 28 1HG2 VAL 28 -0.418 6.790 -4.603 695 2HG2 VAL 28 2HG2 VAL 28 -0.217 5.156 -3.979 696 3HG2 VAL 28 3HG2 VAL 28 -1.375 6.246 -3.224 697 H ALA 29 H ALA 29 -1.816 3.602 -7.732 698 HA ALA 29 HA ALA 29 -4.510 3.523 -8.522 699 1HB ALA 29 1HB ALA 29 -2.086 3.579 -9.815 700 2HB ALA 29 2HB ALA 29 -3.631 3.279 -10.615 701 3HB ALA 29 3HB ALA 29 -2.608 1.921 -10.135 702 H PHE 30 H PHE 30 -2.163 0.957 -7.770 703 HA PHE 30 HA PHE 30 -3.987 -1.157 -8.216 704 1HB PHE 30 2HB PHE 30 -1.276 -0.986 -6.851 705 2HB PHE 30 1HB PHE 30 -2.140 -2.493 -7.177 706 HD1 PHE 30 1HD PHE 30 0.442 -0.534 -8.431 707 HD2 PHE 30 2HD PHE 30 -3.199 -2.418 -9.819 708 HE1 PHE 30 1HE PHE 30 1.240 -0.424 -10.737 709 HE2 PHE 30 2HE PHE 30 -2.351 -2.287 -12.115 710 HZ PHE 30 HZ PHE 30 -0.144 -1.309 -12.587 711 H ILE 31 H ILE 31 -2.773 0.533 -5.309 712 HA ILE 31 HA ILE 31 -4.084 -1.035 -3.374 713 HB ILE 31 HB ILE 31 -3.408 1.920 -3.303 714 1HG1 ILE 31 2HG1 ILE 31 -1.903 -0.384 -2.033 715 2HG1 ILE 31 1HG1 ILE 31 -1.518 0.190 -3.648 716 1HG2 ILE 31 1HG2 ILE 31 -4.145 -0.042 -1.113 717 2HG2 ILE 31 2HG2 ILE 31 -5.041 1.403 -1.574 718 3HG2 ILE 31 3HG2 ILE 31 -3.457 1.551 -0.813 719 1HD1 ILE 31 1HD1 ILE 31 -1.132 2.457 -2.760 720 2HD1 ILE 31 2HD1 ILE 31 -0.076 1.290 -1.959 721 3HD1 ILE 31 3HD1 ILE 31 -1.519 1.892 -1.132 722 H ASN 32 H ASN 32 -5.131 1.867 -5.108 723 HA ASN 32 HA ASN 32 -7.665 2.194 -3.919 724 1HB ASN 32 2HB ASN 32 -6.435 3.030 -6.518 725 2HB ASN 32 1HB ASN 32 -8.184 3.121 -6.380 726 1HD2 ASN 32 1HD2 ASN 32 -5.663 5.118 -6.197 727 2HD2 ASN 32 2HD2 ASN 32 -6.154 6.148 -4.941 728 H SER 33 H SER 33 -6.561 0.025 -6.501 729 HA SER 33 HA SER 33 -9.196 -0.716 -7.285 730 1HB SER 33 2HB SER 33 -6.452 -1.504 -8.023 731 2HB SER 33 1HB SER 33 -7.764 -2.632 -8.387 732 HG SER 33 HG SER 33 -8.821 -0.815 -9.395 733 H LEU 34 H LEU 34 -6.876 -1.762 -4.901 734 HA LEU 34 HA LEU 34 -8.011 -4.325 -4.346 735 1HB LEU 34 2HB LEU 34 -6.776 -2.475 -2.297 736 2HB LEU 34 1HB LEU 34 -6.853 -4.223 -2.251 737 HG LEU 34 HG LEU 34 -5.185 -2.519 -4.089 738 1HD1 LEU 34 1HD1 LEU 34 -4.637 -3.466 -1.618 739 2HD1 LEU 34 2HD1 LEU 34 -3.415 -3.116 -2.846 740 3HD1 LEU 34 3HD1 LEU 34 -4.003 -4.772 -2.621 741 1HD2 LEU 34 1HD2 LEU 34 -5.827 -4.184 -5.516 742 2HD2 LEU 34 2HD2 LEU 34 -6.007 -5.347 -4.231 743 3HD2 LEU 34 3HD2 LEU 34 -4.402 -4.917 -4.796 744 H ARG 35 H ARG 35 -8.456 -1.053 -3.178 745 HA ARG 35 HA ARG 35 -10.560 -1.402 -1.330 746 1HB ARG 35 2HB ARG 35 -9.305 0.776 -2.789 747 2HB ARG 35 1HB ARG 35 -11.046 1.002 -2.759 748 1HG ARG 35 2HG ARG 35 -10.931 1.722 -0.639 749 2HG ARG 35 1HG ARG 35 -10.207 0.201 -0.134 750 1HD ARG 35 2HD ARG 35 -8.009 1.241 -1.143 751 2HD ARG 35 1HD ARG 35 -8.874 2.762 -0.949 752 HE ARG 35 HE ARG 35 -7.630 1.310 1.124 753 1HH1 ARG 35 1HH2 ARG 35 -10.425 0.751 1.943 754 2HH1 ARG 35 2HH2 ARG 35 -10.839 2.137 2.896 755 1HH2 ARG 35 1HH1 ARG 35 -8.233 4.073 1.692 756 2HH2 ARG 35 2HH1 ARG 35 -9.599 4.015 2.753 757 H ASP 36 H ASP 36 -10.573 -0.834 -4.820 758 HA ASP 36 HA ASP 36 -13.377 -0.809 -5.210 759 1HB ASP 36 2HB ASP 36 -11.726 0.082 -6.836 760 2HB ASP 36 1HB ASP 36 -11.177 -1.558 -7.163 761 H ASP 37 H ASP 37 -10.964 -3.376 -5.240 762 HA ASP 37 HA ASP 37 -13.024 -5.412 -4.924 763 1HB ASP 37 2HB ASP 37 -11.606 -4.937 -7.467 764 2HB ASP 37 1HB ASP 37 -11.556 -6.599 -6.905 765 HA PRO 38 HA PRO 38 -9.334 -6.494 -2.543 766 1HB PRO 38 2HB PRO 38 -11.089 -7.922 -0.774 767 2HB PRO 38 1HB PRO 38 -10.186 -6.440 -0.461 768 1HG PRO 38 2HG PRO 38 -12.939 -6.668 -0.675 769 2HG PRO 38 1HG PRO 38 -12.006 -5.168 -0.737 770 1HD PRO 38 2HD PRO 38 -13.281 -6.667 -2.945 771 2HD PRO 38 1HD PRO 38 -12.831 -4.950 -2.850 772 H SER 39 H SER 39 -11.985 -8.385 -3.799 773 HA SER 39 HA SER 39 -10.900 -10.983 -3.367 774 1HB SER 39 2HB SER 39 -12.576 -11.709 -5.015 775 2HB SER 39 1HB SER 39 -13.293 -10.606 -3.845 776 HG SER 39 HG SER 39 -12.477 -10.094 -6.509 777 H GLN 40 H GLN 40 -10.720 -8.593 -5.948 778 HA GLN 40 HA GLN 40 -8.842 -10.273 -7.410 779 1HB GLN 40 2HB GLN 40 -9.532 -7.719 -8.645 780 2HB GLN 40 1HB GLN 40 -9.487 -9.322 -9.324 781 1HG GLN 40 2HG GLN 40 -11.676 -9.864 -8.587 782 2HG GLN 40 1HG GLN 40 -11.733 -8.495 -7.485 783 1HE2 GLN 40 1HE2 GLN 40 -10.908 -6.381 -9.074 784 2HE2 GLN 40 2HE2 GLN 40 -11.983 -6.173 -10.371 785 H SER 41 H SER 41 -8.325 -8.741 -4.849 786 HA SER 41 HA SER 41 -6.739 -6.514 -5.380 787 1HB SER 41 2HB SER 41 -7.311 -7.092 -3.086 788 2HB SER 41 1HB SER 41 -6.561 -8.677 -3.249 789 HG SER 41 HG SER 41 -4.743 -6.851 -3.863 790 H ALA 42 H ALA 42 -6.197 -9.877 -5.668 791 HA ALA 42 HA ALA 42 -3.373 -9.875 -6.078 792 1HB ALA 42 1HB ALA 42 -5.345 -11.940 -7.041 793 2HB ALA 42 2HB ALA 42 -4.895 -11.798 -5.337 794 3HB ALA 42 3HB ALA 42 -3.664 -12.178 -6.547 795 H ASN 43 H ASN 43 -6.183 -9.365 -8.056 796 HA ASN 43 HA ASN 43 -5.132 -9.967 -10.600 797 1HB ASN 43 2HB ASN 43 -7.522 -9.762 -9.831 798 2HB ASN 43 1HB ASN 43 -7.304 -8.023 -10.040 799 1HD2 ASN 43 1HD2 ASN 43 -6.368 -7.413 -12.315 800 2HD2 ASN 43 2HD2 ASN 43 -6.961 -8.296 -13.637 801 H LEU 44 H LEU 44 -5.782 -6.836 -9.041 802 HA LEU 44 HA LEU 44 -4.412 -5.484 -11.104 803 1HB LEU 44 2HB LEU 44 -4.932 -3.419 -9.995 804 2HB LEU 44 1HB LEU 44 -6.348 -4.440 -10.022 805 HG LEU 44 HG LEU 44 -5.989 -3.229 -7.920 806 1HD1 LEU 44 1HD1 LEU 44 -5.851 -6.013 -7.110 807 2HD1 LEU 44 2HD1 LEU 44 -7.048 -5.634 -8.340 808 3HD1 LEU 44 3HD1 LEU 44 -7.077 -4.777 -6.797 809 1HD2 LEU 44 1HD2 LEU 44 -4.238 -3.436 -6.576 810 2HD2 LEU 44 2HD2 LEU 44 -3.419 -3.811 -8.071 811 3HD2 LEU 44 3HD2 LEU 44 -3.962 -5.115 -7.009 812 H LEU 45 H LEU 45 -3.675 -6.917 -8.097 813 HA LEU 45 HA LEU 45 -1.140 -5.696 -7.625 814 1HB LEU 45 2HB LEU 45 -1.902 -6.969 -5.794 815 2HB LEU 45 1HB LEU 45 -2.473 -8.270 -6.826 816 HG LEU 45 HG LEU 45 -0.149 -8.899 -7.346 817 1HD1 LEU 45 1HD1 LEU 45 1.693 -7.843 -6.123 818 2HD1 LEU 45 2HD1 LEU 45 0.563 -6.716 -5.376 819 3HD1 LEU 45 3HD1 LEU 45 0.850 -6.662 -7.110 820 1HD2 LEU 45 1HD2 LEU 45 0.317 -9.039 -4.558 821 2HD2 LEU 45 2HD2 LEU 45 -0.396 -10.272 -5.593 822 3HD2 LEU 45 3HD2 LEU 45 -1.430 -9.107 -4.774 823 H ALA 46 H ALA 46 -2.509 -8.248 -9.499 824 HA ALA 46 HA ALA 46 -0.135 -9.401 -10.538 825 1HB ALA 46 1HB ALA 46 -1.661 -10.801 -11.469 826 2HB ALA 46 2HB ALA 46 -2.275 -9.489 -12.472 827 3HB ALA 46 3HB ALA 46 -2.959 -9.765 -10.873 828 H GLU 47 H GLU 47 -2.329 -6.846 -11.556 829 HA GLU 47 HA GLU 47 -1.074 -6.072 -13.946 830 1HB GLU 47 2HB GLU 47 -2.689 -4.440 -11.963 831 2HB GLU 47 1HB GLU 47 -2.221 -3.886 -13.565 832 1HG GLU 47 2HG GLU 47 -4.018 -6.206 -12.877 833 2HG GLU 47 1HG GLU 47 -4.496 -4.682 -13.597 834 H ALA 48 H ALA 48 -0.516 -5.342 -10.570 835 HA ALA 48 HA ALA 48 1.255 -3.152 -10.898 836 1HB ALA 48 1HB ALA 48 1.176 -3.152 -8.640 837 2HB ALA 48 2HB ALA 48 1.566 -4.871 -8.544 838 3HB ALA 48 3HB ALA 48 -0.097 -4.357 -8.841 839 H LYS 49 H LYS 49 1.731 -6.571 -10.155 840 HA LYS 49 HA LYS 49 4.546 -6.468 -10.071 841 1HB LYS 49 2HB LYS 49 2.539 -8.667 -10.458 842 2HB LYS 49 1HB LYS 49 4.269 -8.994 -10.448 843 1HG LYS 49 2HG LYS 49 4.381 -7.868 -8.206 844 2HG LYS 49 1HG LYS 49 2.621 -7.767 -8.229 845 1HD LYS 49 2HD LYS 49 4.173 -10.361 -8.513 846 2HD LYS 49 1HD LYS 49 3.507 -9.779 -6.994 847 1HE LYS 49 2HE LYS 49 1.337 -9.596 -8.712 848 2HE LYS 49 1HE LYS 49 2.144 -11.066 -9.253 849 1HZ LYS 49 1HZ LYS 49 0.447 -11.236 -7.369 850 2HZ LYS 49 2HZ LYS 49 1.661 -10.568 -6.384 851 3HZ LYS 49 3HZ LYS 49 1.926 -12.046 -7.182 852 H LYS 50 H LYS 50 2.176 -6.839 -12.579 853 HA LYS 50 HA LYS 50 3.986 -7.421 -14.725 854 1HB LYS 50 2HB LYS 50 1.139 -6.496 -14.588 855 2HB LYS 50 1HB LYS 50 2.005 -6.595 -16.120 856 1HG LYS 50 2HG LYS 50 2.574 -9.009 -15.509 857 2HG LYS 50 1HG LYS 50 1.413 -8.865 -14.196 858 1HD LYS 50 2HD LYS 50 0.751 -8.344 -17.109 859 2HD LYS 50 1HD LYS 50 0.454 -9.874 -16.289 860 1HE LYS 50 2HE LYS 50 -0.886 -8.505 -14.568 861 2HE LYS 50 1HE LYS 50 -0.816 -7.187 -15.740 862 1HZ LYS 50 1HZ LYS 50 -1.982 -9.882 -16.145 863 2HZ LYS 50 2HZ LYS 50 -1.758 -8.751 -17.392 864 3HZ LYS 50 3HZ LYS 50 -2.809 -8.402 -16.103 865 H LEU 51 H LEU 51 2.553 -4.501 -13.339 866 HA LEU 51 HA LEU 51 3.532 -2.737 -15.362 867 1HB LEU 51 2HB LEU 51 2.100 -2.485 -12.833 868 2HB LEU 51 1HB LEU 51 3.323 -1.234 -13.015 869 HG LEU 51 HG LEU 51 1.091 -0.630 -13.973 870 1HD1 LEU 51 1HD1 LEU 51 2.720 0.722 -14.852 871 2HD1 LEU 51 2HD1 LEU 51 2.244 -0.111 -16.335 872 3HD1 LEU 51 3HD1 LEU 51 3.684 -0.638 -15.456 873 1HD2 LEU 51 1HD2 LEU 51 1.284 -1.967 -16.476 874 2HD2 LEU 51 2HD2 LEU 51 0.027 -2.158 -15.255 875 3HD2 LEU 51 3HD2 LEU 51 1.439 -3.214 -15.236 876 H ASN 52 H ASN 52 4.665 -3.847 -12.278 877 HA ASN 52 HA ASN 52 7.027 -2.273 -12.141 878 1HB ASN 52 2HB ASN 52 6.233 -3.451 -10.182 879 2HB ASN 52 1HB ASN 52 6.363 -4.999 -11.000 880 1HD2 ASN 52 1HD2 ASN 52 8.583 -5.708 -11.583 881 2HD2 ASN 52 2HD2 ASN 52 9.902 -5.177 -10.660 882 H ASP 53 H ASP 53 6.096 -5.321 -13.527 883 HA ASP 53 HA ASP 53 8.669 -6.083 -14.530 884 1HB ASP 53 2HB ASP 53 6.671 -7.622 -14.261 885 2HB ASP 53 1HB ASP 53 5.980 -6.852 -15.685 886 H ALA 54 H ALA 54 6.010 -4.142 -15.693 887 HA ALA 54 HA ALA 54 6.832 -3.813 -18.381 888 1HB ALA 54 1HB ALA 54 4.552 -3.343 -17.241 889 2HB ALA 54 2HB ALA 54 5.085 -2.282 -18.546 890 3HB ALA 54 3HB ALA 54 5.249 -1.766 -16.868 891 H GLN 55 H GLN 55 7.439 -1.991 -15.408 892 HA GLN 55 HA GLN 55 9.046 0.000 -16.814 893 1HB GLN 55 2HB GLN 55 8.243 -0.324 -13.965 894 2HB GLN 55 1HB GLN 55 9.203 1.014 -14.558 895 1HG GLN 55 2HG GLN 55 7.423 1.946 -15.709 896 2HG GLN 55 1HG GLN 55 6.616 0.392 -15.924 897 1HE2 GLN 55 1HE2 GLN 55 6.171 -0.651 -13.549 898 2HE2 GLN 55 2HE2 GLN 55 5.364 0.409 -12.497 899 H ALA 56 H ALA 56 9.579 -3.038 -15.601 900 HA ALA 56 HA ALA 56 11.974 -2.758 -14.130 901 1HB ALA 56 1HB ALA 56 10.623 -4.985 -15.543 902 2HB ALA 56 2HB ALA 56 11.211 -4.894 -13.888 903 3HB ALA 56 3HB ALA 56 12.340 -5.183 -15.211 904 HA PRO 57 HA PRO 57 15.067 -2.001 -17.076 905 1HB PRO 57 2HB PRO 57 17.042 -3.697 -15.832 906 2HB PRO 57 1HB PRO 57 16.800 -1.959 -15.626 907 1HG PRO 57 2HG PRO 57 16.370 -3.832 -13.684 908 2HG PRO 57 1HG PRO 57 15.635 -2.224 -13.724 909 1HD PRO 57 2HD PRO 57 14.457 -4.854 -14.532 910 2HD PRO 57 1HD PRO 57 13.708 -3.492 -13.667 911 H LYS 58 H LYS 58 13.386 -3.955 -18.027 912 HA LYS 58 HA LYS 58 14.441 -6.367 -18.892 913 1HB LYS 58 2HB LYS 58 12.296 -4.576 -19.772 914 2HB LYS 58 1HB LYS 58 12.885 -5.674 -21.011 915 1HG LYS 58 2HG LYS 58 11.103 -6.808 -19.863 916 2HG LYS 58 1HG LYS 58 12.608 -7.552 -19.322 917 1HD LYS 58 2HD LYS 58 12.578 -6.272 -17.262 918 2HD LYS 58 1HD LYS 58 11.205 -5.317 -17.823 919 1HE LYS 58 2HE LYS 58 10.325 -6.983 -16.331 920 2HE LYS 58 1HE LYS 58 9.888 -7.480 -17.964 921 1HZ LYS 58 1HZ LYS 58 11.684 -9.023 -17.996 922 2HZ LYS 58 2HZ LYS 58 10.800 -9.286 -16.569 923 3HZ LYS 58 3HZ LYS 58 12.283 -8.457 -16.514 Start of MODEL 40 1 1H VAL 1 1HT VAL 1 13.274 -15.628 5.399 2 2H VAL 1 2HT VAL 1 14.783 -14.856 5.517 3 3H VAL 1 3HT VAL 1 13.670 -14.373 4.329 4 HA VAL 1 HA VAL 1 13.519 -13.964 7.256 5 HB VAL 1 HB VAL 1 13.317 -12.071 4.883 6 1HG1 VAL 1 1HG1 VAL 1 13.674 -10.361 6.781 7 2HG1 VAL 1 2HG1 VAL 1 13.232 -11.665 7.883 8 3HG1 VAL 1 3HG1 VAL 1 12.080 -11.104 6.671 9 1HG2 VAL 1 1HG2 VAL 1 15.540 -11.250 5.750 10 2HG2 VAL 1 2HG2 VAL 1 15.597 -12.885 5.093 11 3HG2 VAL 1 3HG2 VAL 1 15.571 -12.638 6.840 12 H ASP 2 H ASP 2 11.538 -13.206 8.094 13 HA ASP 2 HA ASP 2 9.209 -14.476 7.098 14 1HB ASP 2 2HB ASP 2 8.073 -12.883 8.820 15 2HB ASP 2 1HB ASP 2 9.171 -14.128 9.405 16 H ASN 3 H ASN 3 7.279 -13.551 6.286 17 HA ASN 3 HA ASN 3 7.741 -11.277 4.496 18 1HB ASN 3 2HB ASN 3 5.434 -13.229 4.714 19 2HB ASN 3 1HB ASN 3 5.557 -11.953 3.508 20 1HD2 ASN 3 1HD2 ASN 3 8.707 -13.007 4.013 21 2HD2 ASN 3 2HD2 ASN 3 8.791 -14.172 2.782 22 H LYS 4 H LYS 4 6.994 -11.383 7.604 23 HA LYS 4 HA LYS 4 4.528 -10.092 7.930 24 1HB LYS 4 2HB LYS 4 5.336 -9.408 10.121 25 2HB LYS 4 1HB LYS 4 5.838 -11.066 9.798 26 1HG LYS 4 2HG LYS 4 8.056 -10.131 8.996 27 2HG LYS 4 1HG LYS 4 7.545 -8.567 9.625 28 1HD LYS 4 2HD LYS 4 7.570 -11.075 11.316 29 2HD LYS 4 1HD LYS 4 8.954 -9.988 11.212 30 1HE LYS 4 2HE LYS 4 6.163 -9.216 12.132 31 2HE LYS 4 1HE LYS 4 7.565 -9.441 13.175 32 1HZ LYS 4 1HZ LYS 4 8.630 -7.703 11.602 33 2HZ LYS 4 2HZ LYS 4 7.578 -7.184 12.832 34 3HZ LYS 4 3HZ LYS 4 7.025 -7.301 11.229 35 H PHE 5 H PHE 5 7.763 -8.723 7.394 36 HA PHE 5 HA PHE 5 7.139 -6.028 7.660 37 1HB PHE 5 2HB PHE 5 9.217 -5.573 6.690 38 2HB PHE 5 1HB PHE 5 9.450 -7.194 7.336 39 HD1 PHE 5 1HD PHE 5 9.231 -9.184 5.792 40 HD2 PHE 5 2HD PHE 5 9.322 -5.145 4.337 41 HE1 PHE 5 1HE PHE 5 9.747 -10.020 3.516 42 HE2 PHE 5 2HE PHE 5 9.841 -5.978 2.059 43 HZ PHE 5 HZ PHE 5 10.052 -8.416 1.648 44 H ASN 6 H ASN 6 6.835 -8.208 4.880 45 HA ASN 6 HA ASN 6 6.105 -6.250 2.963 46 1HB ASN 6 2HB ASN 6 6.858 -8.520 2.381 47 2HB ASN 6 1HB ASN 6 5.399 -9.183 3.103 48 1HD2 ASN 6 1HD2 ASN 6 4.704 -10.063 1.034 49 2HD2 ASN 6 2HD2 ASN 6 4.118 -9.048 -0.199 50 H LYS 7 H LYS 7 4.237 -8.392 5.089 51 HA LYS 7 HA LYS 7 1.680 -7.600 4.190 52 1HB LYS 7 2HB LYS 7 2.283 -9.635 5.631 53 2HB LYS 7 1HB LYS 7 2.346 -8.521 6.995 54 1HG LYS 7 2HG LYS 7 0.035 -7.923 6.723 55 2HG LYS 7 1HG LYS 7 -0.064 -8.762 5.175 56 1HD LYS 7 2HD LYS 7 0.822 -10.439 7.454 57 2HD LYS 7 1HD LYS 7 -0.839 -9.859 7.556 58 1HE LYS 7 2HE LYS 7 -1.233 -10.728 5.235 59 2HE LYS 7 1HE LYS 7 0.398 -11.401 5.261 60 1HZ LYS 7 1HZ LYS 7 -0.162 -12.824 7.037 61 2HZ LYS 7 2HZ LYS 7 -1.424 -12.964 5.908 62 3HZ LYS 7 3HZ LYS 7 -1.639 -12.036 7.315 63 H GLU 8 H GLU 8 3.887 -6.468 6.690 64 HA GLU 8 HA GLU 8 2.144 -4.475 7.717 65 1HB GLU 8 2HB GLU 8 5.127 -4.883 7.931 66 2HB GLU 8 1HB GLU 8 4.260 -3.582 8.759 67 1HG GLU 8 2HG GLU 8 2.968 -5.129 10.045 68 2HG GLU 8 1HG GLU 8 3.477 -6.492 9.054 69 H LEU 9 H LEU 9 4.674 -4.507 5.310 70 HA LEU 9 HA LEU 9 4.814 -1.715 4.705 71 1HB LEU 9 2HB LEU 9 6.524 -3.244 3.883 72 2HB LEU 9 1HB LEU 9 5.319 -4.192 3.015 73 HG LEU 9 HG LEU 9 4.776 -1.983 1.764 74 1HD1 LEU 9 1HD1 LEU 9 6.049 -0.186 2.035 75 2HD1 LEU 9 2HD1 LEU 9 7.532 -1.094 1.983 76 3HD1 LEU 9 3HD1 LEU 9 6.671 -0.911 3.521 77 1HD2 LEU 9 1HD2 LEU 9 5.823 -3.818 0.657 78 2HD2 LEU 9 2HD2 LEU 9 7.381 -3.450 1.395 79 3HD2 LEU 9 3HD2 LEU 9 6.677 -2.346 0.209 80 H GLY 10 H GLY 10 2.790 -4.372 3.593 81 1HA GLY 10 2HA GLY 10 1.347 -2.787 1.750 82 2HA GLY 10 1HA GLY 10 0.926 -4.393 2.307 83 H TRP 11 H TRP 11 0.899 -3.906 5.085 84 HA TRP 11 HA TRP 11 -1.677 -2.861 5.230 85 1HB TRP 11 2HB TRP 11 -0.468 -4.606 6.812 86 2HB TRP 11 1HB TRP 11 -0.307 -3.142 7.790 87 HD1 TRP 11 HD TRP 11 -2.192 -3.658 9.504 88 HE1 TRP 11 1HE TRP 11 -4.763 -3.825 9.352 89 HE3 TRP 11 3HE TRP 11 -2.872 -3.725 4.405 90 HZ2 TRP 11 2HZ TRP 11 -6.816 -3.901 7.373 91 HZ3 TRP 11 3HZ TRP 11 -5.083 -3.792 3.424 92 HH2 TRP 11 HH TRP 11 -7.099 -3.902 4.902 93 H ALA 12 H ALA 12 1.309 -1.574 6.516 94 HA ALA 12 HA ALA 12 0.128 0.653 7.659 95 1HB ALA 12 1HB ALA 12 2.851 -0.019 6.663 96 2HB ALA 12 2HB ALA 12 2.342 0.480 8.271 97 3HB ALA 12 3HB ALA 12 2.512 1.678 6.987 98 H THR 13 H THR 13 1.169 -0.017 4.351 99 HA THR 13 HA THR 13 0.785 2.485 3.136 100 HB THR 13 HB THR 13 0.546 -0.358 2.234 101 HG1 THR 13 1HG THR 13 2.578 0.106 2.264 102 1HG2 THR 13 1HG2 THR 13 -1.007 0.700 0.787 103 2HG2 THR 13 2HG2 THR 13 0.512 0.648 -0.106 104 3HG2 THR 13 3HG2 THR 13 -0.008 2.151 0.657 105 H TRP 14 H TRP 14 -1.459 -0.191 3.709 106 HA TRP 14 HA TRP 14 -3.772 0.997 2.585 107 1HB TRP 14 2HB TRP 14 -3.351 -1.432 3.208 108 2HB TRP 14 1HB TRP 14 -3.691 -0.975 4.860 109 HD1 TRP 14 HD TRP 14 -6.127 -0.809 5.581 110 HE1 TRP 14 1HE TRP 14 -8.389 -1.107 4.392 111 HE3 TRP 14 3HE TRP 14 -4.588 -0.855 0.685 112 HZ2 TRP 14 2HZ TRP 14 -9.398 -1.348 1.739 113 HZ3 TRP 14 3HZ TRP 14 -6.209 -1.140 -1.100 114 HH2 TRP 14 HH TRP 14 -8.585 -1.388 -0.593 115 H GLU 15 H GLU 15 -2.599 0.773 5.927 116 HA GLU 15 HA GLU 15 -4.784 2.039 7.154 117 1HB GLU 15 2HB GLU 15 -1.883 1.808 7.990 118 2HB GLU 15 1HB GLU 15 -3.186 2.359 9.048 119 1HG GLU 15 2HG GLU 15 -4.332 0.244 8.887 120 2HG GLU 15 1HG GLU 15 -3.273 -0.310 7.593 121 H ILE 16 H ILE 16 -1.815 3.308 5.736 122 HA ILE 16 HA ILE 16 -2.254 6.067 6.460 123 HB ILE 16 HB ILE 16 -0.580 4.768 4.253 124 1HG1 ILE 16 2HG1 ILE 16 0.375 5.971 6.850 125 2HG1 ILE 16 1HG1 ILE 16 -0.006 4.276 6.710 126 1HG2 ILE 16 1HG2 ILE 16 -1.197 7.558 4.756 127 2HG2 ILE 16 2HG2 ILE 16 -0.255 6.844 3.451 128 3HG2 ILE 16 3HG2 ILE 16 0.525 7.256 4.972 129 1HD1 ILE 16 1HD1 ILE 16 1.902 3.832 5.545 130 2HD1 ILE 16 2HD1 ILE 16 2.466 5.369 6.190 131 3HD1 ILE 16 3HD1 ILE 16 1.761 5.298 4.567 132 H PHE 17 H PHE 17 -3.025 3.931 3.791 133 HA PHE 17 HA PHE 17 -4.095 5.759 1.902 134 1HB PHE 17 2HB PHE 17 -3.479 3.145 1.874 135 2HB PHE 17 1HB PHE 17 -5.190 2.994 2.173 136 HD1 PHE 17 1HD PHE 17 -6.793 3.465 0.465 137 HD2 PHE 17 2HD PHE 17 -2.623 4.245 -0.192 138 HE1 PHE 17 1HE PHE 17 -7.221 3.670 -1.962 139 HE2 PHE 17 2HE PHE 17 -3.033 4.458 -2.620 140 HZ PHE 17 HZ PHE 17 -5.336 4.164 -3.497 141 H ASN 18 H ASN 18 -5.461 3.947 4.596 142 HA ASN 18 HA ASN 18 -8.183 4.838 4.083 143 1HB ASN 18 2HB ASN 18 -6.945 3.008 6.141 144 2HB ASN 18 1HB ASN 18 -8.650 3.439 6.150 145 1HD2 ASN 18 1HD2 ASN 18 -6.360 2.493 3.505 146 2HD2 ASN 18 2HD2 ASN 18 -7.371 1.279 2.887 147 H LEU 19 H LEU 19 -5.675 6.480 5.460 148 HA LEU 19 HA LEU 19 -6.876 7.242 7.923 149 1HB LEU 19 2HB LEU 19 -4.525 8.120 6.377 150 2HB LEU 19 1HB LEU 19 -5.233 9.340 7.430 151 HG LEU 19 HG LEU 19 -4.368 6.553 8.298 152 1HD1 LEU 19 1HD1 LEU 19 -2.349 7.518 8.408 153 2HD1 LEU 19 2HD1 LEU 19 -2.991 8.484 9.729 154 3HD1 LEU 19 3HD1 LEU 19 -3.018 9.114 8.095 155 1HD2 LEU 19 1HD2 LEU 19 -4.609 8.002 10.576 156 2HD2 LEU 19 2HD2 LEU 19 -5.906 6.991 9.936 157 3HD2 LEU 19 3HD2 LEU 19 -5.896 8.726 9.621 158 HA PRO 20 HA PRO 20 -9.845 10.019 6.190 159 1HB PRO 20 2HB PRO 20 -10.380 11.152 8.793 160 2HB PRO 20 1HB PRO 20 -11.302 9.918 7.919 161 1HG PRO 20 2HG PRO 20 -9.935 9.462 10.225 162 2HG PRO 20 1HG PRO 20 -10.264 8.215 9.007 163 1HD PRO 20 2HD PRO 20 -7.761 9.836 9.405 164 2HD PRO 20 1HD PRO 20 -7.933 8.093 9.122 165 H ASN 21 H ASN 21 -6.839 11.302 6.908 166 HA ASN 21 HA ASN 21 -7.923 14.006 6.309 167 1HB ASN 21 2HB ASN 21 -5.886 14.025 8.442 168 2HB ASN 21 1HB ASN 21 -7.224 15.112 8.153 169 1HD2 ASN 21 1HD2 ASN 21 -8.945 14.873 9.551 170 2HD2 ASN 21 2HD2 ASN 21 -9.253 13.497 10.492 171 H LEU 22 H LEU 22 -5.604 11.733 5.640 172 HA LEU 22 HA LEU 22 -3.410 13.536 5.130 173 1HB LEU 22 2HB LEU 22 -3.860 10.704 4.196 174 2HB LEU 22 1HB LEU 22 -2.343 11.603 4.079 175 HG LEU 22 HG LEU 22 -3.801 10.899 6.647 176 1HD1 LEU 22 1HD1 LEU 22 -1.435 9.758 6.907 177 2HD1 LEU 22 2HD1 LEU 22 -1.491 9.751 5.146 178 3HD1 LEU 22 3HD1 LEU 22 -2.753 8.943 6.071 179 1HD2 LEU 22 1HD2 LEU 22 -2.709 12.901 7.174 180 2HD2 LEU 22 2HD2 LEU 22 -1.401 12.596 6.020 181 3HD2 LEU 22 3HD2 LEU 22 -1.468 11.702 7.534 182 H ASN 23 H ASN 23 -2.610 14.239 3.173 183 HA ASN 23 HA ASN 23 -4.650 14.514 1.089 184 1HB ASN 23 2HB ASN 23 -3.557 16.426 0.414 185 2HB ASN 23 1HB ASN 23 -3.103 16.409 2.113 186 1HD2 ASN 23 1HD2 ASN 23 -0.846 16.074 2.618 187 2HD2 ASN 23 2HD2 ASN 23 0.340 15.941 1.408 188 H GLY 24 H GLY 24 -3.991 14.210 -1.187 189 1HA GLY 24 2HA GLY 24 -3.215 11.650 -1.783 190 2HA GLY 24 1HA GLY 24 -3.067 12.988 -2.914 191 H VAL 25 H VAL 25 -1.095 14.495 -1.577 192 HA VAL 25 HA VAL 25 1.268 13.135 -2.422 193 HB VAL 25 HB VAL 25 0.997 15.693 -0.840 194 1HG1 VAL 25 1HG1 VAL 25 3.245 15.004 -0.611 195 2HG1 VAL 25 2HG1 VAL 25 3.280 16.081 -2.007 196 3HG1 VAL 25 3HG1 VAL 25 3.296 14.332 -2.243 197 1HG2 VAL 25 1HG2 VAL 25 1.504 16.598 -3.231 198 2HG2 VAL 25 2HG2 VAL 25 -0.135 16.054 -2.872 199 3HG2 VAL 25 3HG2 VAL 25 0.964 15.005 -3.773 200 H GLN 26 H GLN 26 0.018 14.025 0.850 201 HA GLN 26 HA GLN 26 2.283 13.034 2.199 202 1HB GLN 26 2HB GLN 26 -0.416 13.893 2.947 203 2HB GLN 26 1HB GLN 26 0.268 12.667 4.013 204 1HG GLN 26 2HG GLN 26 2.041 14.016 4.681 205 2HG GLN 26 1HG GLN 26 2.026 14.954 3.182 206 1HE2 GLN 26 1HE2 GLN 26 -0.266 14.259 5.845 207 2HE2 GLN 26 2HE2 GLN 26 -0.772 15.867 6.027 208 H VAL 27 H VAL 27 -0.772 11.456 1.308 209 HA VAL 27 HA VAL 27 -0.177 8.948 2.506 210 HB VAL 27 HB VAL 27 -1.870 9.523 0.050 211 1HG1 VAL 27 1HG1 VAL 27 -1.348 7.166 0.143 212 2HG1 VAL 27 2HG1 VAL 27 -2.984 7.356 0.772 213 3HG1 VAL 27 3HG1 VAL 27 -1.633 7.119 1.883 214 1HG2 VAL 27 1HG2 VAL 27 -3.757 9.478 1.641 215 2HG2 VAL 27 2HG2 VAL 27 -2.617 10.749 2.072 216 3HG2 VAL 27 3HG2 VAL 27 -2.633 9.237 2.977 217 H LYS 28 H LYS 28 0.370 10.287 -0.708 218 HA LYS 28 HA LYS 28 1.586 8.060 -1.921 219 1HB LYS 28 2HB LYS 28 0.709 10.075 -3.097 220 2HB LYS 28 1HB LYS 28 2.041 11.023 -2.444 221 1HG LYS 28 2HG LYS 28 3.535 9.169 -3.565 222 2HG LYS 28 1HG LYS 28 2.084 8.843 -4.518 223 1HD LYS 28 2HD LYS 28 3.224 11.630 -4.201 224 2HD LYS 28 1HD LYS 28 3.725 10.554 -5.503 225 1HE LYS 28 2HE LYS 28 1.984 11.627 -6.577 226 2HE LYS 28 1HE LYS 28 1.067 10.325 -5.818 227 1HZ LYS 28 1HZ LYS 28 0.128 12.583 -5.469 228 2HZ LYS 28 2HZ LYS 28 1.512 12.980 -4.567 229 3HZ LYS 28 3HZ LYS 28 0.467 11.752 -4.029 230 H ALA 29 H ALA 29 2.854 10.640 0.093 231 HA ALA 29 HA ALA 29 5.604 10.108 -0.279 232 1HB ALA 29 1HB ALA 29 5.954 11.591 1.561 233 2HB ALA 29 2HB ALA 29 4.284 11.396 2.090 234 3HB ALA 29 3HB ALA 29 4.641 12.250 0.588 235 H PHE 30 H PHE 30 3.223 9.187 2.145 236 HA PHE 30 HA PHE 30 5.010 7.806 3.785 237 1HB PHE 30 2HB PHE 30 2.030 7.486 3.428 238 2HB PHE 30 1HB PHE 30 2.981 6.770 4.726 239 HD1 PHE 30 1HD PHE 30 0.708 9.238 4.372 240 HD2 PHE 30 2HD PHE 30 4.847 8.844 5.545 241 HE1 PHE 30 1HE PHE 30 0.554 11.317 5.683 242 HE2 PHE 30 2HE PHE 30 4.664 10.936 6.831 243 HZ PHE 30 HZ PHE 30 2.527 12.159 6.895 244 H ILE 31 H ILE 31 3.065 6.968 0.967 245 HA ILE 31 HA ILE 31 3.680 4.200 1.002 246 HB ILE 31 HB ILE 31 2.765 6.026 -1.223 247 1HG1 ILE 31 2HG1 ILE 31 1.402 3.769 0.286 248 2HG1 ILE 31 1HG1 ILE 31 1.124 5.482 0.552 249 1HG2 ILE 31 1HG2 ILE 31 3.294 4.470 -2.776 250 2HG2 ILE 31 2HG2 ILE 31 2.371 3.256 -1.898 251 3HG2 ILE 31 3HG2 ILE 31 4.076 3.484 -1.546 252 1HD1 ILE 31 1HD1 ILE 31 0.674 4.128 -2.115 253 2HD1 ILE 31 2HD1 ILE 31 0.179 5.753 -1.642 254 3HD1 ILE 31 3HD1 ILE 31 -0.594 4.346 -0.913 255 H ASP 32 H ASP 32 5.113 7.014 -0.518 256 HA ASP 32 HA ASP 32 7.131 5.670 -1.947 257 1HB ASP 32 2HB ASP 32 6.935 8.495 -0.889 258 2HB ASP 32 1HB ASP 32 8.268 7.946 -1.906 259 H SER 33 H SER 33 7.032 6.944 1.289 260 HA SER 33 HA SER 33 9.763 6.447 1.967 261 1HB SER 33 2HB SER 33 7.310 6.793 3.714 262 2HB SER 33 1HB SER 33 8.981 6.808 4.285 263 HG SER 33 HG SER 33 7.835 8.559 2.362 264 H LEU 34 H LEU 34 6.773 4.683 2.156 265 HA LEU 34 HA LEU 34 7.454 2.436 3.753 266 1HB LEU 34 2HB LEU 34 5.411 3.277 1.809 267 2HB LEU 34 1HB LEU 34 5.704 1.568 1.826 268 HG LEU 34 HG LEU 34 5.485 2.696 4.495 269 1HD1 LEU 34 1HD1 LEU 34 3.313 3.057 2.476 270 2HD1 LEU 34 2HD1 LEU 34 3.763 4.104 3.816 271 3HD1 LEU 34 3HD1 LEU 34 2.870 2.621 4.120 272 1HD2 LEU 34 1HD2 LEU 34 5.492 0.369 4.243 273 2HD2 LEU 34 2HD2 LEU 34 4.352 0.410 2.916 274 3HD2 LEU 34 3HD2 LEU 34 3.811 0.755 4.562 275 H ARG 35 H ARG 35 7.498 2.818 0.237 276 HA ARG 35 HA ARG 35 8.695 0.301 -0.328 277 1HB ARG 35 2HB ARG 35 9.516 2.290 -2.264 278 2HB ARG 35 1HB ARG 35 8.431 0.922 -2.468 279 1HG ARG 35 2HG ARG 35 6.580 2.242 -1.547 280 2HG ARG 35 1HG ARG 35 7.676 3.601 -1.318 281 1HD ARG 35 2HD ARG 35 6.380 3.910 -3.343 282 2HD ARG 35 1HD ARG 35 8.082 3.675 -3.744 283 HE ARG 35 HE ARG 35 7.187 1.199 -4.033 284 1HH1 ARG 35 1HH2 ARG 35 4.689 3.257 -3.967 285 2HH1 ARG 35 2HH2 ARG 35 4.227 3.150 -5.636 286 1HH2 ARG 35 1HH1 ARG 35 7.101 1.390 -6.544 287 2HH2 ARG 35 2HH1 ARG 35 5.608 2.049 -7.114 288 H ASP 36 H ASP 36 10.089 3.532 0.079 289 HA ASP 36 HA ASP 36 12.772 2.923 -0.446 290 1HB ASP 36 2HB ASP 36 11.821 5.213 -0.303 291 2HB ASP 36 1HB ASP 36 11.706 4.995 1.432 292 H ASP 37 H ASP 37 10.791 2.651 2.387 293 HA ASP 37 HA ASP 37 12.729 0.903 3.642 294 1HB ASP 37 2HB ASP 37 13.263 3.309 4.370 295 2HB ASP 37 1HB ASP 37 11.730 3.268 5.233 296 HA PRO 38 HA PRO 38 8.475 -0.493 4.168 297 1HB PRO 38 2HB PRO 38 9.504 -3.161 4.206 298 2HB PRO 38 1HB PRO 38 8.529 -2.372 2.978 299 1HG PRO 38 2HG PRO 38 11.179 -3.139 2.727 300 2HG PRO 38 1HG PRO 38 10.295 -2.048 1.651 301 1HD PRO 38 2HD PRO 38 12.303 -1.408 3.720 302 2HD PRO 38 1HD PRO 38 11.796 -0.467 2.301 303 H SER 39 H SER 39 11.367 -1.410 5.900 304 HA SER 39 HA SER 39 10.119 -2.659 8.120 305 1HB SER 39 2HB SER 39 12.719 -1.092 8.108 306 2HB SER 39 1HB SER 39 12.226 -2.309 9.281 307 HG SER 39 HG SER 39 12.899 -2.618 6.552 308 H GLN 40 H GLN 40 10.712 0.592 7.103 309 HA GLN 40 HA GLN 40 9.960 1.858 9.591 310 1HB GLN 40 2HB GLN 40 11.680 2.706 7.893 311 2HB GLN 40 1HB GLN 40 10.305 3.169 6.895 312 1HG GLN 40 2HG GLN 40 9.472 4.622 8.683 313 2HG GLN 40 1HG GLN 40 10.793 4.120 9.734 314 1HE2 GLN 40 1HE2 GLN 40 12.371 4.194 6.890 315 2HE2 GLN 40 2HE2 GLN 40 12.826 5.825 6.824 316 H SER 41 H SER 41 8.199 0.357 7.202 317 HA SER 41 HA SER 41 6.188 2.032 6.377 318 1HB SER 41 2HB SER 41 4.797 0.029 6.226 319 2HB SER 41 1HB SER 41 6.444 -0.361 5.756 320 HG SER 41 HG SER 41 6.709 -1.480 7.568 321 H ALA 42 H ALA 42 6.501 0.455 9.528 322 HA ALA 42 HA ALA 42 3.946 1.096 10.582 323 1HB ALA 42 1HB ALA 42 5.540 -0.591 11.517 324 2HB ALA 42 2HB ALA 42 4.956 0.558 12.722 325 3HB ALA 42 3HB ALA 42 6.572 0.746 12.033 326 H ASN 43 H ASN 43 7.054 2.659 10.518 327 HA ASN 43 HA ASN 43 6.507 4.787 12.274 328 1HB ASN 43 2HB ASN 43 8.601 3.928 10.405 329 2HB ASN 43 1HB ASN 43 8.513 5.675 10.655 330 1HD2 ASN 43 1HD2 ASN 43 9.863 2.845 11.908 331 2HD2 ASN 43 2HD2 ASN 43 10.205 3.397 13.476 332 H LEU 44 H LEU 44 6.177 4.298 8.868 333 HA LEU 44 HA LEU 44 5.618 7.001 8.114 334 1HB LEU 44 2HB LEU 44 5.132 4.358 6.697 335 2HB LEU 44 1HB LEU 44 5.200 5.963 5.939 336 HG LEU 44 HG LEU 44 7.444 4.911 7.650 337 1HD1 LEU 44 1HD1 LEU 44 8.512 4.716 5.239 338 2HD1 LEU 44 2HD1 LEU 44 6.843 4.306 4.840 339 3HD1 LEU 44 3HD1 LEU 44 7.718 3.375 6.060 340 1HD2 LEU 44 1HD2 LEU 44 8.671 6.648 6.331 341 2HD2 LEU 44 2HD2 LEU 44 7.448 7.229 7.466 342 3HD2 LEU 44 3HD2 LEU 44 7.092 7.169 5.740 343 H LEU 45 H LEU 45 3.940 4.172 8.958 344 HA LEU 45 HA LEU 45 1.274 5.096 8.489 345 1HB LEU 45 2HB LEU 45 1.532 2.745 8.695 346 2HB LEU 45 1HB LEU 45 2.490 2.895 10.162 347 HG LEU 45 HG LEU 45 0.518 3.704 11.388 348 1HD1 LEU 45 1HD1 LEU 45 -0.773 3.485 8.666 349 2HD1 LEU 45 2HD1 LEU 45 -0.761 4.862 9.766 350 3HD1 LEU 45 3HD1 LEU 45 -1.729 3.440 10.146 351 1HD2 LEU 45 1HD2 LEU 45 0.940 1.316 11.347 352 2HD2 LEU 45 2HD2 LEU 45 0.087 1.151 9.813 353 3HD2 LEU 45 3HD2 LEU 45 -0.801 1.588 11.274 354 H ALA 46 H ALA 46 3.598 5.170 11.070 355 HA ALA 46 HA ALA 46 2.001 6.278 13.107 356 1HB ALA 46 1HB ALA 46 4.923 6.876 12.836 357 2HB ALA 46 2HB ALA 46 4.404 5.227 13.196 358 3HB ALA 46 3HB ALA 46 3.998 6.539 14.302 359 H GLU 47 H GLU 47 4.189 7.612 10.740 360 HA GLU 47 HA GLU 47 4.006 10.323 11.378 361 1HB GLU 47 2HB GLU 47 4.660 8.716 8.944 362 2HB GLU 47 1HB GLU 47 4.564 10.473 8.837 363 1HG GLU 47 2HG GLU 47 6.429 8.820 10.542 364 2HG GLU 47 1HG GLU 47 6.851 9.839 9.173 365 H ALA 48 H ALA 48 2.210 8.180 9.289 366 HA ALA 48 HA ALA 48 0.581 10.113 8.076 367 1HB ALA 48 1HB ALA 48 0.930 7.940 7.122 368 2HB ALA 48 2HB ALA 48 -0.773 8.097 7.506 369 3HB ALA 48 3HB ALA 48 0.278 7.156 8.556 370 H LYS 49 H LYS 49 0.144 7.959 10.875 371 HA LYS 49 HA LYS 49 -2.452 8.813 11.558 372 1HB LYS 49 2HB LYS 49 -0.222 7.606 13.186 373 2HB LYS 49 1HB LYS 49 -1.779 8.040 13.898 374 1HG LYS 49 2HG LYS 49 -2.921 6.631 12.190 375 2HG LYS 49 1HG LYS 49 -1.349 6.137 11.574 376 1HD LYS 49 2HD LYS 49 -0.784 5.212 13.814 377 2HD LYS 49 1HD LYS 49 -2.398 5.653 14.378 378 1HE LYS 49 2HE LYS 49 -3.258 4.277 12.354 379 2HE LYS 49 1HE LYS 49 -1.630 3.600 12.310 380 1HZ LYS 49 1HZ LYS 49 -1.911 3.018 14.683 381 2HZ LYS 49 2HZ LYS 49 -2.993 2.205 13.656 382 3HZ LYS 49 3HZ LYS 49 -3.527 3.522 14.588 383 H LYS 50 H LYS 50 0.728 10.143 12.067 384 HA LYS 50 HA LYS 50 -0.156 12.107 13.936 385 1HB LYS 50 2HB LYS 50 2.411 11.606 12.457 386 2HB LYS 50 1HB LYS 50 2.165 13.108 13.362 387 1HG LYS 50 2HG LYS 50 1.554 11.685 15.371 388 2HG LYS 50 1HG LYS 50 2.070 10.276 14.451 389 1HD LYS 50 2HD LYS 50 3.843 12.677 14.987 390 2HD LYS 50 1HD LYS 50 3.841 11.220 15.978 391 1HE LYS 50 2HE LYS 50 4.262 9.944 13.764 392 2HE LYS 50 1HE LYS 50 4.676 11.523 13.094 393 1HZ LYS 50 1HZ LYS 50 6.014 10.019 15.246 394 2HZ LYS 50 2HZ LYS 50 6.178 11.708 15.147 395 3HZ LYS 50 3HZ LYS 50 6.688 10.724 13.857 396 H LEU 51 H LEU 51 0.462 11.974 10.510 397 HA LEU 51 HA LEU 51 0.034 14.737 10.054 398 1HB LEU 51 2HB LEU 51 0.412 12.337 8.357 399 2HB LEU 51 1HB LEU 51 -0.471 13.676 7.632 400 HG LEU 51 HG LEU 51 1.850 13.960 7.118 401 1HD1 LEU 51 1HD1 LEU 51 1.641 15.941 9.323 402 2HD1 LEU 51 2HD1 LEU 51 0.332 15.919 8.140 403 3HD1 LEU 51 3HD1 LEU 51 1.993 16.186 7.612 404 1HD2 LEU 51 1HD2 LEU 51 3.433 14.367 9.157 405 2HD2 LEU 51 2HD2 LEU 51 3.058 12.712 8.695 406 3HD2 LEU 51 3HD2 LEU 51 2.224 13.453 10.060 407 H ASN 52 H ASN 52 -1.993 11.869 9.815 408 HA ASN 52 HA ASN 52 -4.267 13.164 8.781 409 1HB ASN 52 2HB ASN 52 -5.236 11.127 8.850 410 2HB ASN 52 1HB ASN 52 -3.621 10.571 9.233 411 1HD2 ASN 52 1HD2 ASN 52 -6.826 11.045 10.531 412 2HD2 ASN 52 2HD2 ASN 52 -6.520 10.349 12.045 413 H ASP 53 H ASP 53 -3.173 12.382 12.058 414 HA ASP 53 HA ASP 53 -5.412 13.453 13.382 415 1HB ASP 53 2HB ASP 53 -3.939 11.980 14.577 416 2HB ASP 53 1HB ASP 53 -2.570 13.060 14.319 417 H ALA 54 H ALA 54 -2.330 14.833 12.382 418 HA ALA 54 HA ALA 54 -2.616 17.375 13.548 419 1HB ALA 54 1HB ALA 54 -0.461 16.727 12.746 420 2HB ALA 54 2HB ALA 54 -0.988 18.057 11.715 421 3HB ALA 54 3HB ALA 54 -1.090 16.395 11.134 422 H GLN 55 H GLN 55 -3.647 15.982 10.480 423 HA GLN 55 HA GLN 55 -4.811 18.480 9.535 424 1HB GLN 55 2HB GLN 55 -4.625 15.673 8.451 425 2HB GLN 55 1HB GLN 55 -5.574 16.929 7.646 426 1HG GLN 55 2HG GLN 55 -3.641 18.302 7.307 427 2HG GLN 55 1HG GLN 55 -2.664 17.317 8.395 428 1HE2 GLN 55 1HE2 GLN 55 -2.596 14.873 7.643 429 2HE2 GLN 55 2HE2 GLN 55 -2.340 14.638 5.984 430 H ALA 56 H ALA 56 -5.728 16.072 11.660 431 HA ALA 56 HA ALA 56 -8.547 15.993 10.980 432 1HB ALA 56 1HB ALA 56 -7.443 14.013 11.995 433 2HB ALA 56 2HB ALA 56 -8.776 14.594 12.986 434 3HB ALA 56 3HB ALA 56 -7.114 14.955 13.447 435 HA PRO 57 HA PRO 57 -9.878 19.724 12.893 436 1HB PRO 57 2HB PRO 57 -12.148 18.474 14.111 437 2HB PRO 57 1HB PRO 57 -12.083 19.419 12.619 438 1HG PRO 57 2HG PRO 57 -12.060 16.523 13.003 439 2HG PRO 57 1HG PRO 57 -12.662 17.490 11.647 440 1HD PRO 57 2HD PRO 57 -10.409 16.093 11.416 441 2HD PRO 57 1HD PRO 57 -10.553 17.717 10.704 442 H LYS 58 H LYS 58 -9.537 20.661 14.688 443 HA LYS 58 HA LYS 58 -9.553 19.316 17.283 444 1HB LYS 58 2HB LYS 58 -7.160 20.622 16.069 445 2HB LYS 58 1HB LYS 58 -7.314 20.406 17.805 446 1HG LYS 58 2HG LYS 58 -7.566 17.974 17.483 447 2HG LYS 58 1HG LYS 58 -7.435 18.185 15.740 448 1HD LYS 58 2HD LYS 58 -5.176 19.145 16.028 449 2HD LYS 58 1HD LYS 58 -5.295 18.881 17.769 450 1HE LYS 58 2HE LYS 58 -4.983 16.614 17.584 451 2HE LYS 58 1HE LYS 58 -5.853 16.513 16.053 452 1HZ LYS 58 1HZ LYS 58 -3.307 16.195 16.090 453 2HZ LYS 58 2HZ LYS 58 -3.257 17.892 16.175 454 3HZ LYS 58 3HZ LYS 58 -4.009 17.126 14.858 455 1H VAL 1 1HT VAL 1 -18.842 -4.575 2.691 456 2H VAL 1 2HT VAL 1 -18.101 -3.065 2.455 457 3H VAL 1 3HT VAL 1 -18.924 -3.394 3.905 458 HA VAL 1 HA VAL 1 -16.551 -3.521 4.257 459 HB VAL 1 HB VAL 1 -16.479 -5.743 5.265 460 1HG1 VAL 1 1HG1 VAL 1 -18.461 -5.629 6.627 461 2HG1 VAL 1 2HG1 VAL 1 -19.348 -4.767 5.370 462 3HG1 VAL 1 3HG1 VAL 1 -18.020 -3.973 6.215 463 1HG2 VAL 1 1HG2 VAL 1 -17.292 -7.059 3.352 464 2HG2 VAL 1 2HG2 VAL 1 -18.896 -6.344 3.517 465 3HG2 VAL 1 3HG2 VAL 1 -18.269 -7.406 4.778 466 H ASP 2 H ASP 2 -14.837 -5.505 3.997 467 HA ASP 2 HA ASP 2 -14.324 -5.667 1.097 468 1HB ASP 2 2HB ASP 2 -12.411 -5.961 3.428 469 2HB ASP 2 1HB ASP 2 -11.970 -6.000 1.722 470 H ASN 3 H ASN 3 -13.386 -7.616 0.253 471 HA ASN 3 HA ASN 3 -14.756 -9.959 0.958 472 1HB ASN 3 2HB ASN 3 -13.789 -9.385 -1.304 473 2HB ASN 3 1HB ASN 3 -12.200 -9.774 -0.652 474 1HD2 ASN 3 1HD2 ASN 3 -11.617 -11.835 -1.337 475 2HD2 ASN 3 2HD2 ASN 3 -12.665 -13.166 -1.422 476 H LYS 4 H LYS 4 -13.662 -12.066 1.511 477 HA LYS 4 HA LYS 4 -12.330 -11.875 3.985 478 1HB LYS 4 2HB LYS 4 -11.974 -14.344 3.739 479 2HB LYS 4 1HB LYS 4 -13.644 -13.822 3.549 480 1HG LYS 4 2HG LYS 4 -13.738 -14.597 1.438 481 2HG LYS 4 1HG LYS 4 -12.257 -13.763 0.996 482 1HD LYS 4 2HD LYS 4 -12.394 -16.415 2.459 483 2HD LYS 4 1HD LYS 4 -12.049 -16.223 0.742 484 1HE LYS 4 2HE LYS 4 -10.154 -14.581 1.713 485 2HE LYS 4 1HE LYS 4 -10.314 -15.646 3.105 486 1HZ LYS 4 1HZ LYS 4 -10.204 -16.999 0.556 487 2HZ LYS 4 2HZ LYS 4 -9.402 -17.349 2.012 488 3HZ LYS 4 3HZ LYS 4 -8.786 -16.160 0.965 489 H PHE 5 H PHE 5 -11.145 -11.455 0.892 490 HA PHE 5 HA PHE 5 -8.493 -12.441 1.279 491 1HB PHE 5 2HB PHE 5 -9.952 -10.934 -0.846 492 2HB PHE 5 1HB PHE 5 -8.191 -10.850 -0.833 493 HD1 PHE 5 1HD PHE 5 -10.696 -13.513 -0.063 494 HD2 PHE 5 2HD PHE 5 -7.246 -12.362 -2.336 495 HE1 PHE 5 1HE PHE 5 -10.598 -15.782 -1.065 496 HE2 PHE 5 2HE PHE 5 -7.139 -14.627 -3.331 497 HZ PHE 5 HZ PHE 5 -8.811 -16.341 -2.692 498 H ASN 6 H ASN 6 -9.776 -10.256 3.108 499 HA ASN 6 HA ASN 6 -8.350 -7.844 2.743 500 1HB ASN 6 2HB ASN 6 -10.227 -8.287 4.419 501 2HB ASN 6 1HB ASN 6 -9.005 -9.042 5.442 502 1HD2 ASN 6 1HD2 ASN 6 -6.860 -7.473 5.486 503 2HD2 ASN 6 2HD2 ASN 6 -7.223 -5.860 5.862 504 H LYS 7 H LYS 7 -7.504 -10.798 4.536 505 HA LYS 7 HA LYS 7 -4.953 -9.941 5.429 506 1HB LYS 7 2HB LYS 7 -6.116 -11.935 6.327 507 2HB LYS 7 1HB LYS 7 -5.916 -12.742 4.775 508 1HG LYS 7 2HG LYS 7 -3.467 -12.618 4.997 509 2HG LYS 7 1HG LYS 7 -3.640 -11.754 6.524 510 1HD LYS 7 2HD LYS 7 -3.227 -14.065 7.065 511 2HD LYS 7 1HD LYS 7 -4.929 -13.754 7.402 512 1HE LYS 7 2HE LYS 7 -5.628 -14.850 5.392 513 2HE LYS 7 1HE LYS 7 -3.984 -14.884 4.753 514 1HZ LYS 7 1HZ LYS 7 -3.343 -16.419 6.448 515 2HZ LYS 7 2HZ LYS 7 -4.733 -17.027 5.684 516 3HZ LYS 7 3HZ LYS 7 -4.851 -16.299 7.214 517 H GLU 8 H GLU 8 -6.083 -11.629 2.549 518 HA GLU 8 HA GLU 8 -3.565 -12.017 1.296 519 1HB GLU 8 2HB GLU 8 -6.424 -11.932 0.270 520 2HB GLU 8 1HB GLU 8 -5.048 -12.240 -0.794 521 1HG GLU 8 2HG GLU 8 -5.411 -14.422 -0.239 522 2HG GLU 8 1HG GLU 8 -4.524 -14.010 1.228 523 H ARG 9 H ARG 9 -5.884 -9.402 1.336 524 HA ARG 9 HA ARG 9 -4.894 -7.921 -0.847 525 1HB ARG 9 2HB ARG 9 -7.124 -7.517 -0.072 526 2HB ARG 9 1HB ARG 9 -6.560 -7.159 1.555 527 1HG ARG 9 2HG ARG 9 -5.514 -5.125 0.849 528 2HG ARG 9 1HG ARG 9 -5.729 -5.529 -0.852 529 1HD ARG 9 2HD ARG 9 -7.410 -3.892 -0.164 530 2HD ARG 9 1HD ARG 9 -8.188 -5.423 -0.547 531 HE ARG 9 HE ARG 9 -7.675 -5.506 2.177 532 1HH1 ARG 9 1HH1 ARG 9 -9.785 -4.031 -0.102 533 2HH1 ARG 9 2HH1 ARG 9 -10.809 -3.312 1.093 534 1HH2 ARG 9 1HH2 ARG 9 -8.853 -4.326 3.764 535 2HH2 ARG 9 2HH2 ARG 9 -10.285 -3.482 3.279 536 H VAL 10 H VAL 10 -4.266 -7.888 2.636 537 HA VAL 10 HA VAL 10 -2.688 -5.581 2.790 538 HB VAL 10 HB VAL 10 -2.307 -8.087 4.411 539 1HG1 VAL 10 1HG1 VAL 10 -1.450 -5.255 4.695 540 2HG1 VAL 10 2HG1 VAL 10 -0.573 -6.741 5.028 541 3HG1 VAL 10 3HG1 VAL 10 -1.812 -6.183 6.153 542 1HG2 VAL 10 1HG2 VAL 10 -4.394 -7.821 5.209 543 2HG2 VAL 10 2HG2 VAL 10 -4.635 -6.389 4.216 544 3HG2 VAL 10 3HG2 VAL 10 -3.924 -6.239 5.830 545 H ILE 11 H ILE 11 -1.846 -8.916 1.991 546 HA ILE 11 HA ILE 11 0.971 -8.451 1.829 547 HB ILE 11 HB ILE 11 -0.638 -10.660 0.521 548 1HG1 ILE 11 2HG1 ILE 11 0.221 -10.128 3.344 549 2HG1 ILE 11 1HG1 ILE 11 -1.205 -10.969 2.747 550 1HG2 ILE 11 1HG2 ILE 11 1.772 -10.283 -0.219 551 2HG2 ILE 11 2HG2 ILE 11 1.466 -11.863 0.492 552 3HG2 ILE 11 3HG2 ILE 11 2.260 -10.608 1.444 553 1HD1 ILE 11 1HD1 ILE 11 1.594 -12.021 3.099 554 2HD1 ILE 11 2HD1 ILE 11 0.489 -12.800 1.963 555 3HD1 ILE 11 3HD1 ILE 11 0.073 -12.708 3.674 556 H ALA 12 H ALA 12 -1.713 -8.368 -0.511 557 HA ALA 12 HA ALA 12 -0.143 -8.058 -2.853 558 1HB ALA 12 1HB ALA 12 -2.230 -7.005 -3.770 559 2HB ALA 12 2HB ALA 12 -2.939 -7.135 -2.163 560 3HB ALA 12 3HB ALA 12 -2.502 -8.592 -3.049 561 H ILE 13 H ILE 13 -1.580 -5.750 -0.601 562 HA ILE 13 HA ILE 13 -0.731 -3.406 -1.904 563 HB ILE 13 HB ILE 13 -1.073 -3.954 1.076 564 1HG1 ILE 13 2HG1 ILE 13 -2.990 -2.627 -0.818 565 2HG1 ILE 13 1HG1 ILE 13 -3.016 -4.364 -0.551 566 1HG2 ILE 13 1HG2 ILE 13 0.104 -1.857 0.820 567 2HG2 ILE 13 2HG2 ILE 13 -1.591 -1.490 1.146 568 3HG2 ILE 13 3HG2 ILE 13 -0.954 -1.370 -0.495 569 1HD1 ILE 13 1HD1 ILE 13 -4.639 -3.235 0.897 570 2HD1 ILE 13 2HD1 ILE 13 -3.342 -2.236 1.547 571 3HD1 ILE 13 3HD1 ILE 13 -3.353 -3.964 1.863 572 H GLY 14 H GLY 14 0.762 -5.444 0.570 573 1HA GLY 14 2HA GLY 14 3.213 -4.115 0.850 574 2HA GLY 14 1HA GLY 14 2.954 -5.838 1.105 575 H GLU 15 H GLU 15 2.131 -6.489 -1.547 576 HA GLU 15 HA GLU 15 4.677 -6.864 -2.745 577 1HB GLU 15 2HB GLU 15 2.491 -8.276 -2.922 578 2HB GLU 15 1HB GLU 15 2.113 -7.193 -4.239 579 1HG GLU 15 2HG GLU 15 3.643 -8.166 -5.633 580 2HG GLU 15 1HG GLU 15 4.860 -8.199 -4.355 581 H ILE 16 H ILE 16 1.860 -4.765 -3.458 582 HA ILE 16 HA ILE 16 2.945 -3.588 -5.808 583 HB ILE 16 HB ILE 16 1.549 -1.761 -3.848 584 1HG1 ILE 16 2HG1 ILE 16 0.228 -3.887 -3.822 585 2HG1 ILE 16 1HG1 ILE 16 -0.648 -2.512 -4.437 586 1HG2 ILE 16 1HG2 ILE 16 0.567 -0.850 -5.888 587 2HG2 ILE 16 2HG2 ILE 16 1.315 -2.122 -6.850 588 3HG2 ILE 16 3HG2 ILE 16 2.317 -0.933 -6.028 589 1HD1 ILE 16 1HD1 ILE 16 -0.314 -3.209 -6.701 590 2HD1 ILE 16 2HD1 ILE 16 -0.950 -4.585 -5.792 591 3HD1 ILE 16 3HD1 ILE 16 0.768 -4.511 -6.191 592 H MET 17 H MET 17 3.139 -2.569 -2.447 593 HA MET 17 HA MET 17 4.791 -0.328 -2.682 594 1HB MET 17 2HB MET 17 4.581 -2.258 -0.388 595 2HB MET 17 1HB MET 17 5.160 -0.586 -0.322 596 1HG MET 17 2HG MET 17 2.390 -1.383 -1.230 597 2HG MET 17 1HG MET 17 2.767 -0.804 0.375 598 1HE MET 17 1HE MET 17 3.440 2.461 0.425 599 2HE MET 17 2HE MET 17 4.886 1.974 -0.458 600 3HE MET 17 3HE MET 17 4.181 0.879 0.759 601 H ARG 18 H ARG 18 5.645 -3.770 -2.496 602 HA ARG 18 HA ARG 18 8.454 -3.367 -2.136 603 1HB ARG 18 2HB ARG 18 6.731 -5.641 -2.676 604 2HB ARG 18 1HB ARG 18 8.262 -5.731 -3.537 605 1HG ARG 18 2HG ARG 18 9.177 -6.488 -1.652 606 2HG ARG 18 1HG ARG 18 8.985 -4.873 -0.991 607 1HD ARG 18 2HD ARG 18 8.004 -6.617 0.475 608 2HD ARG 18 1HD ARG 18 6.815 -5.455 -0.092 609 HE ARG 18 HE ARG 18 5.740 -7.182 -1.198 610 1HH1 ARG 18 1HH1 ARG 18 7.993 -8.720 0.627 611 2HH1 ARG 18 2HH1 ARG 18 8.264 -10.058 -0.438 612 1HH2 ARG 18 1HH2 ARG 18 6.517 -8.645 -3.077 613 2HH2 ARG 18 2HH2 ARG 18 7.426 -10.015 -2.536 614 H LEU 19 H LEU 19 6.373 -3.673 -4.978 615 HA LEU 19 HA LEU 19 8.349 -3.850 -6.950 616 1HB LEU 19 2HB LEU 19 5.672 -2.488 -7.139 617 2HB LEU 19 1HB LEU 19 6.668 -2.942 -8.489 618 HG LEU 19 HG LEU 19 5.554 -4.893 -6.473 619 1HD1 LEU 19 1HD1 LEU 19 4.007 -5.522 -8.313 620 2HD1 LEU 19 2HD1 LEU 19 4.619 -4.161 -9.253 621 3HD1 LEU 19 3HD1 LEU 19 3.745 -3.878 -7.748 622 1HD2 LEU 19 1HD2 LEU 19 6.240 -5.871 -9.115 623 2HD2 LEU 19 2HD2 LEU 19 6.737 -6.467 -7.534 624 3HD2 LEU 19 3HD2 LEU 19 7.627 -5.158 -8.300 625 HA PRO 20 HA PRO 20 9.949 0.309 -6.345 626 1HB PRO 20 2HB PRO 20 12.296 -0.504 -7.805 627 2HB PRO 20 1HB PRO 20 12.126 -0.228 -6.069 628 1HG PRO 20 2HG PRO 20 12.610 -2.654 -7.221 629 2HG PRO 20 1HG PRO 20 11.867 -2.424 -5.630 630 1HD PRO 20 2HD PRO 20 10.554 -3.020 -8.258 631 2HD PRO 20 1HD PRO 20 10.178 -3.640 -6.633 632 H ASN 21 H ASN 21 9.302 -1.397 -9.298 633 HA ASN 21 HA ASN 21 10.117 0.814 -11.008 634 1HB ASN 21 2HB ASN 21 8.678 -1.735 -11.735 635 2HB ASN 21 1HB ASN 21 9.402 -0.592 -12.849 636 1HD2 ASN 21 1HD2 ASN 21 10.093 -3.504 -12.294 637 2HD2 ASN 21 2HD2 ASN 21 11.750 -3.482 -11.930 638 H LEU 22 H LEU 22 7.237 -0.267 -9.371 639 HA LEU 22 HA LEU 22 5.340 0.982 -11.095 640 1HB LEU 22 2HB LEU 22 5.127 0.372 -8.148 641 2HB LEU 22 1HB LEU 22 3.788 0.866 -9.164 642 HG LEU 22 HG LEU 22 5.360 -1.699 -9.230 643 1HD1 LEU 22 1HD1 LEU 22 2.921 -2.563 -9.305 644 2HD1 LEU 22 2HD1 LEU 22 2.468 -0.918 -8.862 645 3HD1 LEU 22 3HD1 LEU 22 3.486 -1.867 -7.783 646 1HD2 LEU 22 1HD2 LEU 22 3.683 -0.408 -11.338 647 2HD2 LEU 22 2HD2 LEU 22 3.836 -2.154 -11.243 648 3HD2 LEU 22 3HD2 LEU 22 5.274 -1.167 -11.499 649 H ASN 23 H ASN 23 4.322 2.909 -10.979 650 HA ASN 23 HA ASN 23 5.806 5.160 -9.937 651 1HB ASN 23 2HB ASN 23 4.726 5.880 -11.819 652 2HB ASN 23 1HB ASN 23 3.539 4.612 -11.745 653 1HD2 ASN 23 1HD2 ASN 23 1.684 5.829 -12.123 654 2HD2 ASN 23 2HD2 ASN 23 1.163 7.083 -11.111 655 H SER 24 H SER 24 4.961 6.628 -8.294 656 HA SER 24 HA SER 24 4.024 5.331 -5.978 657 1HB SER 24 2HB SER 24 3.785 7.552 -5.037 658 2HB SER 24 1HB SER 24 5.239 7.516 -6.025 659 HG SER 24 HG SER 24 3.728 8.289 -7.755 660 H LEU 25 H LEU 25 2.388 7.266 -8.403 661 HA LEU 25 HA LEU 25 -0.212 7.036 -7.287 662 1HB LEU 25 2HB LEU 25 0.976 8.188 -9.733 663 2HB LEU 25 1HB LEU 25 -0.681 7.672 -9.883 664 HG LEU 25 HG LEU 25 0.415 9.552 -7.829 665 1HD1 LEU 25 1HD1 LEU 25 0.173 10.554 -10.071 666 2HD1 LEU 25 2HD1 LEU 25 -1.025 11.213 -8.957 667 3HD1 LEU 25 3HD1 LEU 25 -1.497 9.991 -10.138 668 1HD2 LEU 25 1HD2 LEU 25 -1.318 8.800 -6.607 669 2HD2 LEU 25 2HD2 LEU 25 -1.983 7.918 -7.982 670 3HD2 LEU 25 3HD2 LEU 25 -2.356 9.634 -7.767 671 H GLN 26 H GLN 26 1.677 5.175 -9.585 672 HA GLN 26 HA GLN 26 -0.436 3.582 -10.633 673 1HB GLN 26 2HB GLN 26 2.502 3.411 -10.545 674 2HB GLN 26 1HB GLN 26 1.691 1.859 -10.600 675 1HG GLN 26 2HG GLN 26 0.487 2.519 -12.632 676 2HG GLN 26 1HG GLN 26 1.233 4.118 -12.576 677 1HE2 GLN 26 1HE2 GLN 26 3.366 1.667 -11.482 678 2HE2 GLN 26 2HE2 GLN 26 4.242 1.491 -12.922 679 H VAL 27 H VAL 27 1.701 3.336 -7.900 680 HA VAL 27 HA VAL 27 0.881 0.817 -6.953 681 HB VAL 27 HB VAL 27 2.336 3.162 -5.779 682 1HG1 VAL 27 1HG1 VAL 27 2.896 1.737 -3.823 683 2HG1 VAL 27 2HG1 VAL 27 1.711 0.545 -4.371 684 3HG1 VAL 27 3HG1 VAL 27 1.180 2.149 -3.870 685 1HG2 VAL 27 1HG2 VAL 27 2.918 0.604 -7.126 686 2HG2 VAL 27 2HG2 VAL 27 3.940 0.938 -5.726 687 3HG2 VAL 27 3HG2 VAL 27 3.864 2.086 -7.063 688 H VAL 28 H VAL 28 -0.111 4.098 -6.235 689 HA VAL 28 HA VAL 28 -2.086 3.455 -4.333 690 HB VAL 28 HB VAL 28 -1.881 5.794 -6.255 691 1HG1 VAL 28 1HG1 VAL 28 -4.029 4.962 -4.662 692 2HG1 VAL 28 2HG1 VAL 28 -3.825 6.545 -5.406 693 3HG1 VAL 28 3HG1 VAL 28 -3.273 6.268 -3.752 694 1HG2 VAL 28 1HG2 VAL 28 -1.336 6.309 -3.427 695 2HG2 VAL 28 2HG2 VAL 28 -0.346 6.685 -4.841 696 3HG2 VAL 28 3HG2 VAL 28 -0.232 5.098 -4.081 697 H ALA 29 H ALA 29 -1.946 3.502 -7.849 698 HA ALA 29 HA ALA 29 -4.679 3.345 -8.473 699 1HB ALA 29 1HB ALA 29 -2.786 1.768 -10.150 700 2HB ALA 29 2HB ALA 29 -2.406 3.481 -9.953 701 3HB ALA 29 3HB ALA 29 -3.963 2.999 -10.622 702 H PHE 30 H PHE 30 -2.238 0.837 -7.811 703 HA PHE 30 HA PHE 30 -4.053 -1.301 -8.142 704 1HB PHE 30 2HB PHE 30 -1.305 -1.117 -6.871 705 2HB PHE 30 1HB PHE 30 -2.172 -2.622 -7.172 706 HD1 PHE 30 1HD PHE 30 -3.269 -2.599 -9.804 707 HD2 PHE 30 2HD PHE 30 0.345 -0.622 -8.471 708 HE1 PHE 30 1HE PHE 30 -2.450 -2.465 -12.108 709 HE2 PHE 30 2HE PHE 30 1.119 -0.522 -10.781 710 HZ PHE 30 HZ PHE 30 -0.264 -1.447 -12.612 711 H ILE 31 H ILE 31 -2.723 0.443 -5.312 712 HA ILE 31 HA ILE 31 -3.924 -1.123 -3.303 713 HB ILE 31 HB ILE 31 -3.306 1.845 -3.311 714 1HG1 ILE 31 2HG1 ILE 31 -1.725 -0.417 -2.061 715 2HG1 ILE 31 1HG1 ILE 31 -1.387 0.174 -3.679 716 1HG2 ILE 31 1HG2 ILE 31 -3.278 1.539 -0.811 717 2HG2 ILE 31 2HG2 ILE 31 -3.948 -0.073 -1.054 718 3HG2 ILE 31 3HG2 ILE 31 -4.880 1.346 -1.525 719 1HD1 ILE 31 1HD1 ILE 31 0.069 1.309 -2.035 720 2HD1 ILE 31 2HD1 ILE 31 -1.363 1.843 -1.142 721 3HD1 ILE 31 3HD1 ILE 31 -1.059 2.454 -2.772 722 H ASN 32 H ASN 32 -5.073 1.797 -4.942 723 HA ASN 32 HA ASN 32 -7.556 2.031 -3.668 724 1HB ASN 32 2HB ASN 32 -6.422 3.756 -5.109 725 2HB ASN 32 1HB ASN 32 -6.892 2.813 -6.515 726 1HD2 ASN 32 1HD2 ASN 32 -8.257 4.541 -7.266 727 2HD2 ASN 32 2HD2 ASN 32 -9.746 4.887 -6.527 728 H SER 33 H SER 33 -6.483 -0.059 -6.313 729 HA SER 33 HA SER 33 -9.129 -0.718 -7.133 730 1HB SER 33 2HB SER 33 -6.410 -1.570 -7.886 731 2HB SER 33 1HB SER 33 -7.770 -2.605 -8.321 732 HG SER 33 HG SER 33 -7.844 0.170 -8.787 733 H LEU 34 H LEU 34 -6.814 -1.900 -4.792 734 HA LEU 34 HA LEU 34 -8.060 -4.440 -4.334 735 1HB LEU 34 2HB LEU 34 -6.811 -2.865 -2.089 736 2HB LEU 34 1HB LEU 34 -6.789 -4.598 -2.368 737 HG LEU 34 HG LEU 34 -5.243 -2.504 -3.891 738 1HD1 LEU 34 1HD1 LEU 34 -3.369 -3.216 -2.818 739 2HD1 LEU 34 2HD1 LEU 34 -3.994 -4.853 -2.563 740 3HD1 LEU 34 3HD1 LEU 34 -4.573 -3.519 -1.562 741 1HD2 LEU 34 1HD2 LEU 34 -4.200 -4.591 -4.947 742 2HD2 LEU 34 2HD2 LEU 34 -5.790 -4.094 -5.510 743 3HD2 LEU 34 3HD2 LEU 34 -5.633 -5.416 -4.383 744 H ARG 35 H ARG 35 -8.382 -1.162 -3.136 745 HA ARG 35 HA ARG 35 -10.465 -1.443 -1.246 746 1HB ARG 35 2HB ARG 35 -9.096 0.667 -2.652 747 2HB ARG 35 1HB ARG 35 -10.822 0.970 -2.756 748 1HG ARG 35 2HG ARG 35 -10.873 1.672 -0.627 749 2HG ARG 35 1HG ARG 35 -10.136 0.179 -0.057 750 1HD ARG 35 2HD ARG 35 -7.913 1.205 -0.920 751 2HD ARG 35 1HD ARG 35 -8.799 2.727 -0.945 752 HE ARG 35 HE ARG 35 -7.789 1.405 1.368 753 1HH1 ARG 35 1HH1 ARG 35 -10.713 1.276 1.934 754 2HH1 ARG 35 2HH1 ARG 35 -11.025 2.800 2.693 755 1HH2 ARG 35 1HH2 ARG 35 -8.076 4.246 1.596 756 2HH2 ARG 35 2HH2 ARG 35 -9.533 4.481 2.501 757 H ASP 36 H ASP 36 -10.495 -0.810 -4.714 758 HA ASP 36 HA ASP 36 -13.292 -0.702 -5.102 759 1HB ASP 36 2HB ASP 36 -11.024 -1.384 -6.996 760 2HB ASP 36 1HB ASP 36 -12.677 -1.038 -7.502 761 H ASP 37 H ASP 37 -10.949 -3.330 -5.257 762 HA ASP 37 HA ASP 37 -13.060 -5.320 -4.970 763 1HB ASP 37 2HB ASP 37 -11.609 -4.854 -7.499 764 2HB ASP 37 1HB ASP 37 -11.592 -6.524 -6.949 765 HA PRO 38 HA PRO 38 -9.382 -6.350 -2.537 766 1HB PRO 38 2HB PRO 38 -11.194 -7.569 -0.665 767 2HB PRO 38 1HB PRO 38 -10.196 -6.133 -0.451 768 1HG PRO 38 2HG PRO 38 -12.954 -6.182 -0.623 769 2HG PRO 38 1HG PRO 38 -11.927 -4.760 -0.815 770 1HD PRO 38 2HD PRO 38 -13.333 -6.343 -2.877 771 2HD PRO 38 1HD PRO 38 -12.785 -4.653 -2.918 772 H SER 39 H SER 39 -12.068 -8.180 -3.735 773 HA SER 39 HA SER 39 -11.129 -10.802 -3.135 774 1HB SER 39 2HB SER 39 -13.481 -10.327 -3.745 775 2HB SER 39 1HB SER 39 -12.962 -9.856 -5.359 776 HG SER 39 HG SER 39 -12.188 -11.965 -5.657 777 H GLN 40 H GLN 40 -10.788 -8.565 -5.850 778 HA GLN 40 HA GLN 40 -8.880 -10.361 -7.126 779 1HB GLN 40 2HB GLN 40 -9.541 -7.876 -8.534 780 2HB GLN 40 1HB GLN 40 -9.421 -9.511 -9.125 781 1HG GLN 40 2HG GLN 40 -11.760 -8.532 -7.492 782 2HG GLN 40 1HG GLN 40 -11.749 -8.595 -9.247 783 1HE2 GLN 40 1HE2 GLN 40 -13.392 -10.176 -7.223 784 2HE2 GLN 40 2HE2 GLN 40 -13.111 -11.801 -7.623 785 H SER 41 H SER 41 -8.376 -8.716 -4.661 786 HA SER 41 HA SER 41 -6.798 -6.500 -5.253 787 1HB SER 41 2HB SER 41 -7.355 -7.009 -2.945 788 2HB SER 41 1HB SER 41 -6.621 -8.609 -3.063 789 HG SER 41 HG SER 41 -5.476 -6.136 -2.630 790 H ALA 42 H ALA 42 -6.217 -9.871 -5.449 791 HA ALA 42 HA ALA 42 -3.391 -9.853 -5.857 792 1HB ALA 42 1HB ALA 42 -4.899 -11.761 -5.045 793 2HB ALA 42 2HB ALA 42 -3.651 -12.173 -6.226 794 3HB ALA 42 3HB ALA 42 -5.330 -11.979 -6.744 795 H ASN 43 H ASN 43 -6.202 -9.470 -7.869 796 HA ASN 43 HA ASN 43 -5.135 -10.175 -10.376 797 1HB ASN 43 2HB ASN 43 -7.512 -10.025 -9.717 798 2HB ASN 43 1HB ASN 43 -7.348 -8.270 -9.808 799 1HD2 ASN 43 1HD2 ASN 43 -6.967 -11.235 -11.814 800 2HD2 ASN 43 2HD2 ASN 43 -7.285 -10.457 -13.289 801 H LEU 44 H LEU 44 -5.809 -6.988 -8.962 802 HA LEU 44 HA LEU 44 -4.475 -5.711 -11.090 803 1HB LEU 44 2HB LEU 44 -5.019 -3.614 -10.061 804 2HB LEU 44 1HB LEU 44 -6.416 -4.662 -10.005 805 HG LEU 44 HG LEU 44 -6.013 -3.338 -7.973 806 1HD1 LEU 44 1HD1 LEU 44 -5.845 -6.110 -7.071 807 2HD1 LEU 44 2HD1 LEU 44 -7.100 -5.743 -8.246 808 3HD1 LEU 44 3HD1 LEU 44 -7.039 -4.856 -6.722 809 1HD2 LEU 44 1HD2 LEU 44 -3.438 -3.950 -8.151 810 2HD2 LEU 44 2HD2 LEU 44 -3.970 -5.183 -7.009 811 3HD2 LEU 44 3HD2 LEU 44 -4.221 -3.482 -6.667 812 H LEU 45 H LEU 45 -3.692 -7.016 -8.033 813 HA LEU 45 HA LEU 45 -1.166 -5.753 -7.625 814 1HB LEU 45 2HB LEU 45 -1.859 -6.972 -5.745 815 2HB LEU 45 1HB LEU 45 -2.501 -8.284 -6.717 816 HG LEU 45 HG LEU 45 -0.192 -8.969 -7.308 817 1HD1 LEU 45 1HD1 LEU 45 0.870 -6.765 -7.090 818 2HD1 LEU 45 2HD1 LEU 45 1.685 -7.952 -6.086 819 3HD1 LEU 45 3HD1 LEU 45 0.578 -6.791 -5.355 820 1HD2 LEU 45 1HD2 LEU 45 0.300 -9.111 -4.518 821 2HD2 LEU 45 2HD2 LEU 45 -0.425 -10.338 -5.551 822 3HD2 LEU 45 3HD2 LEU 45 -1.447 -9.166 -4.729 823 H ALA 46 H ALA 46 -2.519 -8.386 -9.403 824 HA ALA 46 HA ALA 46 -0.150 -9.556 -10.435 825 1HB ALA 46 1HB ALA 46 -1.659 -10.969 -11.374 826 2HB ALA 46 2HB ALA 46 -2.361 -9.657 -12.317 827 3HB ALA 46 3HB ALA 46 -2.951 -9.981 -10.688 828 H GLU 47 H GLU 47 -2.355 -7.032 -11.500 829 HA GLU 47 HA GLU 47 -1.111 -6.319 -13.918 830 1HB GLU 47 2HB GLU 47 -2.745 -4.644 -11.989 831 2HB GLU 47 1HB GLU 47 -2.285 -4.137 -13.607 832 1HG GLU 47 2HG GLU 47 -4.041 -6.464 -12.845 833 2HG GLU 47 1HG GLU 47 -4.551 -4.964 -13.596 834 H ALA 48 H ALA 48 -0.554 -5.487 -10.563 835 HA ALA 48 HA ALA 48 1.178 -3.279 -10.952 836 1HB ALA 48 1HB ALA 48 -0.144 -4.438 -8.867 837 2HB ALA 48 2HB ALA 48 1.138 -3.238 -8.690 838 3HB ALA 48 3HB ALA 48 1.516 -4.960 -8.568 839 H LYS 49 H LYS 49 1.733 -6.669 -10.129 840 HA LYS 49 HA LYS 49 4.547 -6.516 -10.058 841 1HB LYS 49 2HB LYS 49 2.575 -8.751 -10.433 842 2HB LYS 49 1HB LYS 49 4.312 -9.050 -10.415 843 1HG LYS 49 2HG LYS 49 4.404 -7.912 -8.181 844 2HG LYS 49 1HG LYS 49 2.643 -7.821 -8.210 845 1HD LYS 49 2HD LYS 49 4.197 -10.415 -8.485 846 2HD LYS 49 1HD LYS 49 3.557 -9.821 -6.959 847 1HE LYS 49 2HE LYS 49 1.366 -9.648 -8.664 848 2HE LYS 49 1HE LYS 49 2.158 -11.139 -9.170 849 1HZ LYS 49 1HZ LYS 49 1.678 -10.547 -6.317 850 2HZ LYS 49 2HZ LYS 49 1.967 -12.049 -7.058 851 3HZ LYS 49 3HZ LYS 49 0.477 -11.262 -7.279 852 H LYS 50 H LYS 50 2.189 -7.001 -12.553 853 HA LYS 50 HA LYS 50 4.002 -7.579 -14.695 854 1HB LYS 50 2HB LYS 50 1.133 -6.719 -14.566 855 2HB LYS 50 1HB LYS 50 1.993 -6.849 -16.097 856 1HG LYS 50 2HG LYS 50 2.617 -9.230 -15.416 857 2HG LYS 50 1HG LYS 50 1.463 -9.069 -14.099 858 1HD LYS 50 2HD LYS 50 0.772 -8.658 -17.025 859 2HD LYS 50 1HD LYS 50 0.507 -10.163 -16.149 860 1HE LYS 50 2HE LYS 50 -0.857 -8.777 -14.475 861 2HE LYS 50 1HE LYS 50 -0.798 -7.478 -15.667 862 1HZ LYS 50 1HZ LYS 50 -1.724 -9.080 -17.294 863 2HZ LYS 50 2HZ LYS 50 -2.780 -8.714 -16.013 864 3HZ LYS 50 3HZ LYS 50 -1.938 -10.191 -16.031 865 H LEU 51 H LEU 51 2.468 -4.666 -13.398 866 HA LEU 51 HA LEU 51 3.380 -2.934 -15.475 867 1HB LEU 51 2HB LEU 51 1.955 -2.651 -12.940 868 2HB LEU 51 1HB LEU 51 3.108 -1.349 -13.199 869 HG LEU 51 HG LEU 51 0.862 -0.870 -14.150 870 1HD1 LEU 51 1HD1 LEU 51 2.343 0.472 -15.230 871 2HD1 LEU 51 2HD1 LEU 51 1.972 -0.567 -16.609 872 3HD1 LEU 51 3HD1 LEU 51 3.424 -0.866 -15.648 873 1HD2 LEU 51 1HD2 LEU 51 1.398 -3.477 -15.469 874 2HD2 LEU 51 2HD2 LEU 51 0.749 -2.225 -16.530 875 3HD2 LEU 51 3HD2 LEU 51 -0.138 -2.700 -15.081 876 H ASN 52 H ASN 52 4.558 -3.878 -12.353 877 HA ASN 52 HA ASN 52 6.842 -2.199 -12.269 878 1HB ASN 52 2HB ASN 52 6.079 -3.385 -10.288 879 2HB ASN 52 1HB ASN 52 6.360 -4.935 -11.063 880 1HD2 ASN 52 1HD2 ASN 52 8.634 -5.491 -11.551 881 2HD2 ASN 52 2HD2 ASN 52 9.890 -4.804 -10.641 882 H ASP 53 H ASP 53 6.069 -5.334 -13.561 883 HA ASP 53 HA ASP 53 8.687 -5.972 -14.537 884 1HB ASP 53 2HB ASP 53 6.795 -7.626 -14.222 885 2HB ASP 53 1HB ASP 53 6.054 -6.943 -15.667 886 H ALA 54 H ALA 54 5.907 -4.258 -15.783 887 HA ALA 54 HA ALA 54 6.703 -3.981 -18.478 888 1HB ALA 54 1HB ALA 54 4.409 -3.578 -17.348 889 2HB ALA 54 2HB ALA 54 4.886 -2.534 -18.688 890 3HB ALA 54 3HB ALA 54 5.030 -1.959 -17.028 891 H GLN 55 H GLN 55 7.236 -2.031 -15.583 892 HA GLN 55 HA GLN 55 8.755 -0.025 -17.064 893 1HB GLN 55 2HB GLN 55 7.974 -0.288 -14.201 894 2HB GLN 55 1HB GLN 55 8.876 1.069 -14.842 895 1HG GLN 55 2HG GLN 55 7.053 1.889 -16.010 896 2HG GLN 55 1HG GLN 55 6.317 0.296 -16.180 897 1HE2 GLN 55 1HE2 GLN 55 5.943 -0.691 -13.754 898 2HE2 GLN 55 2HE2 GLN 55 5.077 0.360 -12.743 899 H ALA 56 H ALA 56 9.390 -3.003 -15.730 900 HA ALA 56 HA ALA 56 11.842 -2.536 -14.358 901 1HB ALA 56 1HB ALA 56 10.593 -4.634 -14.077 902 2HB ALA 56 2HB ALA 56 12.233 -4.950 -14.637 903 3HB ALA 56 3HB ALA 56 10.886 -5.038 -15.767 904 HA PRO 57 HA PRO 57 14.687 -2.165 -17.640 905 1HB PRO 57 2HB PRO 57 16.808 -3.558 -16.271 906 2HB PRO 57 1HB PRO 57 16.515 -1.817 -16.350 907 1HG PRO 57 2HG PRO 57 16.308 -3.321 -14.076 908 2HG PRO 57 1HG PRO 57 15.492 -1.770 -14.340 909 1HD PRO 57 2HD PRO 57 14.397 -4.549 -14.624 910 2HD PRO 57 1HD PRO 57 13.637 -3.100 -13.922 911 H LYS 58 H LYS 58 16.589 -3.516 -18.742 912 HA LYS 58 HA LYS 58 15.393 -6.055 -19.615 913 1HB LYS 58 2HB LYS 58 16.931 -3.936 -20.921 914 2HB LYS 58 1HB LYS 58 17.412 -5.562 -21.382 915 1HG LYS 58 2HG LYS 58 15.689 -4.946 -22.914 916 2HG LYS 58 1HG LYS 58 14.924 -6.038 -21.760 917 1HD LYS 58 2HD LYS 58 14.026 -4.118 -20.506 918 2HD LYS 58 1HD LYS 58 14.831 -3.003 -21.609 919 1HE LYS 58 2HE LYS 58 12.808 -5.063 -22.532 920 2HE LYS 58 1HE LYS 58 12.371 -3.412 -22.094 921 1HZ LYS 58 1HZ LYS 58 12.726 -3.479 -24.428 922 2HZ LYS 58 2HZ LYS 58 14.221 -4.267 -24.249 923 3HZ LYS 58 3HZ LYS 58 14.043 -2.655 -23.748
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