NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
4867 | 1fyj | 4634 | cing | recoord | dress | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 2H ASP 1 HN2 ASP 1 17.000 -2.184 -6.583 2 H ASP 1 H ASP 1 18.670 -2.068 -6.292 3 HA ASP 1 HA ASP 1 18.386 -0.521 -4.552 4 1HB ASP 1 HB2 ASP 1 16.565 -0.093 -6.936 5 2HB ASP 1 HB1 ASP 1 16.971 1.193 -5.801 6 H SER 2 HN SER 2 17.333 -0.341 -2.640 7 HA SER 2 HA SER 2 14.818 -1.605 -2.052 8 1HB SER 2 HB2 SER 2 15.088 -0.293 0.081 9 2HB SER 2 HB1 SER 2 16.539 -1.181 -0.378 10 HG SER 2 HG SER 2 17.102 0.928 0.138 11 H LEU 3 HN LEU 3 15.663 1.590 -3.230 12 HA LEU 3 HA LEU 3 13.315 3.045 -2.504 13 1HB LEU 3 HB2 LEU 3 15.643 3.665 -3.609 14 2HB LEU 3 HB1 LEU 3 14.748 3.458 -5.109 15 HG LEU 3 HG LEU 3 14.667 5.801 -4.430 16 1HD1 LEU 3 HD11 LEU 3 11.948 4.693 -3.749 17 2HD1 LEU 3 HD12 LEU 3 12.598 4.557 -5.383 18 3HD1 LEU 3 HD13 LEU 3 12.350 6.147 -4.662 19 1HD2 LEU 3 HD21 LEU 3 14.773 4.899 -1.879 20 2HD2 LEU 3 HD22 LEU 3 13.047 5.241 -2.004 21 3HD2 LEU 3 HD23 LEU 3 14.224 6.520 -2.305 22 H VAL 4 HN VAL 4 14.026 1.018 -5.365 23 HA VAL 4 HA VAL 4 11.709 1.584 -6.911 24 HB VAL 4 HB VAL 4 13.332 -0.961 -6.545 25 1HG1 VAL 4 HG11 VAL 4 11.598 -0.215 -8.918 26 2HG1 VAL 4 HG12 VAL 4 11.047 -1.286 -7.630 27 3HG1 VAL 4 HG13 VAL 4 12.424 -1.746 -8.629 28 1HG2 VAL 4 HG21 VAL 4 14.304 1.359 -7.376 29 2HG2 VAL 4 HG22 VAL 4 13.513 0.904 -8.886 30 3HG2 VAL 4 HG23 VAL 4 14.753 -0.139 -8.191 31 H LEU 5 HN LEU 5 12.196 -1.008 -4.473 32 HA LEU 5 HA LEU 5 9.540 -2.063 -4.541 33 1HB LEU 5 HB2 LEU 5 11.827 -1.985 -2.586 34 2HB LEU 5 HB1 LEU 5 10.278 -2.635 -2.055 35 HG LEU 5 HG LEU 5 11.749 -4.424 -2.913 36 1HD1 LEU 5 HD11 LEU 5 9.665 -4.142 -5.038 37 2HD1 LEU 5 HD12 LEU 5 9.134 -4.199 -3.357 38 3HD1 LEU 5 HD13 LEU 5 10.063 -5.537 -4.034 39 1HD2 LEU 5 HD21 LEU 5 11.530 -3.051 -5.606 40 2HD2 LEU 5 HD22 LEU 5 12.488 -4.476 -5.203 41 3HD2 LEU 5 HD23 LEU 5 12.940 -2.898 -4.558 42 H TYR 6 HN TYR 6 10.969 0.678 -2.860 43 HA TYR 6 HA TYR 6 8.922 1.297 -0.988 44 1HB TYR 6 HB2 TYR 6 11.339 2.324 -1.790 45 2HB TYR 6 HB1 TYR 6 10.232 3.549 -2.407 46 HD1 TYR 6 HD1 TYR 6 8.160 3.940 -0.596 47 HD2 TYR 6 HD2 TYR 6 12.206 2.812 0.300 48 HE1 TYR 6 HE1 TYR 6 7.907 4.855 1.694 49 HE2 TYR 6 HE2 TYR 6 11.956 3.724 2.591 50 HH TYR 6 HH TYR 6 10.408 4.432 4.146 51 H ASN 7 HN ASN 7 9.355 2.440 -4.342 52 HA ASN 7 HA ASN 7 7.031 4.076 -4.516 53 1HB ASN 7 HB2 ASN 7 8.620 2.497 -6.557 54 2HB ASN 7 HB1 ASN 7 7.393 3.688 -6.992 55 1HD2 ASN 7 HD21 ASN 7 7.790 5.866 -5.508 56 2HD2 ASN 7 HD22 ASN 7 9.390 6.429 -5.574 57 H ARG 8 HN ARG 8 7.441 0.592 -5.276 58 HA ARG 8 HA ARG 8 4.922 0.166 -6.513 59 1HB ARG 8 HB2 ARG 8 6.871 -1.380 -6.468 60 2HB ARG 8 HB1 ARG 8 6.529 -1.721 -4.772 61 1HG ARG 8 HG2 ARG 8 4.293 -2.560 -5.382 62 2HG ARG 8 HG1 ARG 8 4.627 -2.221 -7.080 63 1HD ARG 8 HD2 ARG 8 6.579 -3.794 -6.967 64 2HD ARG 8 HD1 ARG 8 6.094 -4.210 -5.311 65 HE ARG 8 HE ARG 8 3.761 -4.632 -6.547 66 1HH1 ARG 8 HH21 ARG 8 6.610 -6.314 -6.538 67 2HH1 ARG 8 HH22 ARG 8 6.300 -7.238 -7.970 68 1HH2 ARG 8 HH11 ARG 8 3.496 -5.407 -8.866 69 2HH2 ARG 8 HH12 ARG 8 4.537 -6.725 -9.287 70 H VAL 9 HN VAL 9 5.748 -0.373 -3.033 71 HA VAL 9 HA VAL 9 3.032 -1.017 -2.303 72 HB VAL 9 HB VAL 9 5.036 -1.645 -0.987 73 1HG1 VAL 9 HG11 VAL 9 5.210 1.314 -0.341 74 2HG1 VAL 9 HG12 VAL 9 6.350 0.422 -1.347 75 3HG1 VAL 9 HG13 VAL 9 6.201 0.042 0.367 76 1HG2 VAL 9 HG21 VAL 9 3.058 -1.693 0.301 77 2HG2 VAL 9 HG22 VAL 9 2.915 0.066 0.310 78 3HG2 VAL 9 HG23 VAL 9 4.162 -0.723 1.275 79 H ALA 10 HN ALA 10 4.907 1.983 -2.298 80 HA ALA 10 HA ALA 10 3.029 3.698 -1.019 81 1HB ALA 10 HB1 ALA 10 4.911 4.399 -3.287 82 2HB ALA 10 HB2 ALA 10 5.464 4.091 -1.641 83 3HB ALA 10 HB3 ALA 10 4.384 5.446 -1.969 84 H VAL 11 HN VAL 11 3.364 2.805 -4.463 85 HA VAL 11 HA VAL 11 1.440 4.611 -5.539 86 HB VAL 11 HB VAL 11 2.415 1.850 -6.344 87 1HG1 VAL 11 HG11 VAL 11 0.839 3.830 -8.018 88 2HG1 VAL 11 HG12 VAL 11 0.230 2.286 -7.422 89 3HG1 VAL 11 HG13 VAL 11 1.546 2.322 -8.596 90 1HG2 VAL 11 HG21 VAL 11 3.104 4.303 -7.865 91 2HG2 VAL 11 HG22 VAL 11 4.120 2.935 -7.411 92 3HG2 VAL 11 HG23 VAL 11 3.772 4.202 -6.236 93 H GLN 12 HN GLN 12 0.961 1.187 -4.497 94 HA GLN 12 HA GLN 12 -1.865 1.131 -4.999 95 1HB GLN 12 HB2 GLN 12 0.174 -0.429 -3.500 96 2HB GLN 12 HB1 GLN 12 -1.500 -0.672 -2.999 97 1HG GLN 12 HG2 GLN 12 -1.045 -2.282 -4.730 98 2HG GLN 12 HG1 GLN 12 -2.074 -1.040 -5.441 99 1HE2 GLN 12 HE21 GLN 12 -1.311 -1.057 -7.606 100 2HE2 GLN 12 HE22 GLN 12 0.300 -0.742 -8.036 101 H GLY 13 HN GLY 13 -0.078 1.613 -1.947 102 1HA GLY 13 HA2 GLY 13 -1.968 2.013 -0.036 103 2HA GLY 13 HA1 GLY 13 -0.559 3.085 -0.145 104 H ASP 14 HN ASP 14 -0.953 4.610 -2.254 105 HA ASP 14 HA ASP 14 -2.844 6.581 -1.397 106 1HB ASP 14 HB2 ASP 14 -1.275 6.103 -3.940 107 2HB ASP 14 HB1 ASP 14 -2.239 7.556 -3.683 108 H VAL 15 HN VAL 15 -3.017 4.124 -3.986 109 HA VAL 15 HA VAL 15 -5.401 5.029 -5.253 110 HB VAL 15 HB VAL 15 -4.231 2.256 -4.821 111 1HG1 VAL 15 HG11 VAL 15 -6.301 1.627 -5.603 112 2HG1 VAL 15 HG12 VAL 15 -5.559 2.027 -7.153 113 3HG1 VAL 15 HG13 VAL 15 -6.611 3.194 -6.351 114 1HG2 VAL 15 HG21 VAL 15 -4.087 4.089 -7.230 115 2HG2 VAL 15 HG22 VAL 15 -3.200 2.586 -6.978 116 3HG2 VAL 15 HG23 VAL 15 -2.832 4.002 -5.994 117 H VAL 16 HN VAL 16 -4.960 2.809 -2.487 118 HA VAL 16 HA VAL 16 -7.702 2.115 -2.085 119 HB VAL 16 HB VAL 16 -5.297 2.381 -0.252 120 1HG1 VAL 16 HG11 VAL 16 -7.208 2.506 1.215 121 2HG1 VAL 16 HG12 VAL 16 -6.619 0.845 1.281 122 3HG1 VAL 16 HG13 VAL 16 -8.046 1.237 0.322 123 1HG2 VAL 16 HG21 VAL 16 -5.019 0.066 -0.618 124 2HG2 VAL 16 HG22 VAL 16 -5.460 0.692 -2.208 125 3HG2 VAL 16 HG23 VAL 16 -6.669 -0.115 -1.210 126 H ARG 17 HN ARG 17 -5.746 4.718 -0.610 127 HA ARG 17 HA ARG 17 -7.776 5.879 1.013 128 1HB ARG 17 HB2 ARG 17 -5.287 6.282 1.023 129 2HB ARG 17 HB1 ARG 17 -5.490 7.254 -0.434 130 1HG ARG 17 HG2 ARG 17 -5.553 8.854 1.290 131 2HG ARG 17 HG1 ARG 17 -7.259 8.558 0.952 132 1HD ARG 17 HD2 ARG 17 -7.531 7.210 2.886 133 2HD ARG 17 HD1 ARG 17 -5.779 6.993 3.078 134 HE ARG 17 HE ARG 17 -5.760 9.567 3.415 135 1HH1 ARG 17 HH21 ARG 17 -6.945 7.542 5.572 136 2HH1 ARG 17 HH22 ARG 17 -8.206 8.547 6.206 137 1HH2 ARG 17 HH11 ARG 17 -8.019 10.860 3.629 138 2HH2 ARG 17 HH12 ARG 17 -8.815 10.425 5.105 139 H GLU 18 HN GLU 18 -6.840 6.581 -2.356 140 HA GLU 18 HA GLU 18 -8.552 8.815 -2.816 141 1HB GLU 18 HB2 GLU 18 -6.651 7.934 -4.220 142 2HB GLU 18 HB1 GLU 18 -7.721 6.646 -4.763 143 1HG GLU 18 HG2 GLU 18 -9.287 8.286 -5.683 144 2HG GLU 18 HG1 GLU 18 -8.287 9.608 -5.086 145 H LEU 19 HN LEU 19 -9.108 5.354 -3.491 146 HA LEU 19 HA LEU 19 -11.707 5.566 -4.610 147 1HB LEU 19 HB2 LEU 19 -10.321 3.433 -3.013 148 2HB LEU 19 HB1 LEU 19 -11.848 3.159 -3.844 149 HG LEU 19 HG LEU 19 -9.323 4.145 -5.199 150 1HD1 LEU 19 HD11 LEU 19 -8.991 1.906 -5.988 151 2HD1 LEU 19 HD12 LEU 19 -10.544 1.379 -5.340 152 3HD1 LEU 19 HD13 LEU 19 -9.224 1.788 -4.244 153 1HD2 LEU 19 HD21 LEU 19 -10.616 3.428 -7.249 154 2HD2 LEU 19 HD22 LEU 19 -11.321 4.803 -6.400 155 3HD2 LEU 19 HD23 LEU 19 -12.022 3.195 -6.210 156 H LYS 20 HN LYS 20 -10.748 5.126 -1.216 157 HA LYS 20 HA LYS 20 -13.380 4.845 -0.143 158 1HB LYS 20 HB2 LYS 20 -11.041 4.363 0.870 159 2HB LYS 20 HB1 LYS 20 -11.007 6.082 1.265 160 1HG LYS 20 HG2 LYS 20 -11.877 4.919 3.190 161 2HG LYS 20 HG1 LYS 20 -13.227 5.765 2.431 162 1HD LYS 20 HD2 LYS 20 -14.009 3.744 1.377 163 2HD LYS 20 HD1 LYS 20 -12.547 2.871 1.836 164 1HE LYS 20 HE2 LYS 20 -13.189 2.711 4.085 165 2HE LYS 20 HE1 LYS 20 -14.275 4.110 3.975 166 1HZ LYS 20 HZ1 LYS 20 -15.656 2.834 2.421 167 2HZ LYS 20 HZ2 LYS 20 -15.562 2.081 3.941 168 3HZ LYS 20 HZ3 LYS 20 -14.654 1.482 2.636 169 H ALA 21 HN ALA 21 -11.278 7.612 -0.733 170 HA ALA 21 HA ALA 21 -12.922 9.672 0.401 171 1HB ALA 21 HB1 ALA 21 -11.148 9.826 -2.058 172 2HB ALA 21 HB2 ALA 21 -10.502 9.765 -0.418 173 3HB ALA 21 HB3 ALA 21 -11.507 11.125 -0.921 174 H LYS 22 HN LYS 22 -13.066 7.816 -2.579 175 HA LYS 22 HA LYS 22 -15.029 9.601 -3.862 176 1HB LYS 22 HB2 LYS 22 -13.799 6.909 -4.504 177 2HB LYS 22 HB1 LYS 22 -14.975 7.699 -5.554 178 1HG LYS 22 HG2 LYS 22 -13.510 9.663 -5.747 179 2HG LYS 22 HG1 LYS 22 -12.337 8.905 -4.669 180 1HD LYS 22 HD2 LYS 22 -11.514 8.441 -6.840 181 2HD LYS 22 HD1 LYS 22 -12.325 6.952 -6.354 182 1HE LYS 22 HE2 LYS 22 -14.426 7.969 -7.514 183 2HE LYS 22 HE1 LYS 22 -13.263 9.046 -8.312 184 1HZ LYS 22 HZ1 LYS 22 -13.655 6.895 -9.497 185 2HZ LYS 22 HZ2 LYS 22 -12.939 6.099 -8.178 186 3HZ LYS 22 HZ3 LYS 22 -12.033 7.196 -9.106 187 H LYS 23 HN LYS 23 -15.402 7.656 -1.253 188 HA LYS 23 HA LYS 23 -17.244 6.564 -0.275 189 1HB LYS 23 HB2 LYS 23 -18.580 8.065 -2.533 190 2HB LYS 23 HB1 LYS 23 -19.459 7.280 -1.228 191 1HG LYS 23 HG2 LYS 23 -18.263 8.672 0.422 192 2HG LYS 23 HG1 LYS 23 -17.389 9.471 -0.886 193 1HD LYS 23 HD2 LYS 23 -20.412 9.440 -0.705 194 2HD LYS 23 HD1 LYS 23 -19.421 10.730 -0.023 195 1HE LYS 23 HE2 LYS 23 -18.465 11.204 -2.245 196 2HE LYS 23 HE1 LYS 23 -19.423 9.884 -2.945 197 1HZ LYS 23 HZ1 LYS 23 -20.495 12.266 -1.524 198 2HZ LYS 23 HZ2 LYS 23 -21.432 10.970 -2.098 199 3HZ LYS 23 HZ3 LYS 23 -20.600 11.970 -3.190 200 H ALA 24 HN ALA 24 -15.770 5.400 -2.715 201 HA ALA 24 HA ALA 24 -17.498 3.854 -4.347 202 1HB ALA 24 HB1 ALA 24 -14.685 3.635 -3.320 203 2HB ALA 24 HB2 ALA 24 -15.249 3.880 -4.973 204 3HB ALA 24 HB3 ALA 24 -15.365 2.285 -4.229 205 HA PRO 25 HA PRO 25 -19.087 0.681 -1.737 206 1HB PRO 25 HB2 PRO 25 -18.755 -1.609 -3.206 207 2HB PRO 25 HB1 PRO 25 -19.977 -0.381 -3.593 208 1HG PRO 25 HG2 PRO 25 -17.288 -0.819 -4.806 209 2HG PRO 25 HG1 PRO 25 -18.828 -0.429 -5.591 210 1HD PRO 25 HD2 PRO 25 -16.924 1.431 -5.140 211 2HD PRO 25 HD1 PRO 25 -18.662 1.817 -5.108 212 H LYS 26 HN LYS 26 -18.447 -1.204 -0.411 213 HA LYS 26 HA LYS 26 -15.822 -1.086 0.641 214 1HB LYS 26 HB2 LYS 26 -17.967 -3.227 0.649 215 2HB LYS 26 HB1 LYS 26 -16.511 -3.326 1.644 216 1HG LYS 26 HG2 LYS 26 -17.088 -1.170 2.702 217 2HG LYS 26 HG1 LYS 26 -18.545 -1.075 1.712 218 1HD LYS 26 HD2 LYS 26 -17.982 -3.424 3.531 219 2HD LYS 26 HD1 LYS 26 -18.853 -1.993 4.084 220 1HE LYS 26 HE2 LYS 26 -20.519 -2.319 2.263 221 2HE LYS 26 HE1 LYS 26 -19.666 -3.797 1.775 222 1HZ LYS 26 HZ1 LYS 26 -20.739 -3.261 4.495 223 2HZ LYS 26 HZ2 LYS 26 -19.953 -4.681 3.991 224 3HZ LYS 26 HZ3 LYS 26 -21.471 -4.271 3.346 225 H GLU 27 HN GLU 27 -17.112 -2.985 -2.029 226 HA GLU 27 HA GLU 27 -15.097 -4.972 -2.261 227 1HB GLU 27 HB2 GLU 27 -16.847 -3.534 -4.268 228 2HB GLU 27 HB1 GLU 27 -15.855 -4.931 -4.692 229 1HG GLU 27 HG2 GLU 27 -17.004 -6.317 -3.075 230 2HG GLU 27 HG1 GLU 27 -17.892 -4.927 -2.454 231 H ASP 28 HN ASP 28 -15.186 -1.641 -3.569 232 HA ASP 28 HA ASP 28 -12.726 -1.864 -5.081 233 1HB ASP 28 HB2 ASP 28 -14.471 0.342 -4.003 234 2HB ASP 28 HB1 ASP 28 -12.940 0.736 -4.787 235 H VAL 29 HN VAL 29 -13.487 -0.555 -1.854 236 HA VAL 29 HA VAL 29 -10.795 0.270 -1.229 237 HB VAL 29 HB VAL 29 -13.193 -0.437 0.498 238 1HG1 VAL 29 HG11 VAL 29 -12.147 0.616 2.311 239 2HG1 VAL 29 HG12 VAL 29 -10.995 1.463 1.278 240 3HG1 VAL 29 HG13 VAL 29 -10.808 -0.264 1.574 241 1HG2 VAL 29 HG21 VAL 29 -12.211 2.274 -0.435 242 2HG2 VAL 29 HG22 VAL 29 -13.724 1.913 0.395 243 3HG2 VAL 29 HG23 VAL 29 -13.475 1.364 -1.263 244 H ASP 30 HN ASP 30 -12.687 -2.627 -0.281 245 HA ASP 30 HA ASP 30 -10.674 -3.910 1.267 246 1HB ASP 30 HB2 ASP 30 -13.005 -4.893 -0.393 247 2HB ASP 30 HB1 ASP 30 -12.053 -5.973 0.628 248 H ALA 31 HN ALA 31 -11.465 -4.399 -2.205 249 HA ALA 31 HA ALA 31 -9.433 -6.336 -2.729 250 1HB ALA 31 HB1 ALA 31 -9.989 -5.924 -5.010 251 2HB ALA 31 HB2 ALA 31 -10.427 -4.248 -4.678 252 3HB ALA 31 HB3 ALA 31 -11.467 -5.558 -4.120 253 H ALA 32 HN ALA 32 -9.417 -2.806 -3.174 254 HA ALA 32 HA ALA 32 -6.730 -2.612 -4.164 255 1HB ALA 32 HB1 ALA 32 -7.060 -0.232 -3.719 256 2HB ALA 32 HB2 ALA 32 -8.365 -0.592 -2.589 257 3HB ALA 32 HB3 ALA 32 -8.577 -0.911 -4.310 258 H VAL 33 HN VAL 33 -8.043 -2.377 -0.824 259 HA VAL 33 HA VAL 33 -5.506 -1.705 0.367 260 HB VAL 33 HB VAL 33 -8.028 -1.598 1.209 261 1HG1 VAL 33 HG11 VAL 33 -8.336 -3.321 3.061 262 2HG1 VAL 33 HG12 VAL 33 -7.116 -4.290 2.245 263 3HG1 VAL 33 HG13 VAL 33 -8.623 -3.888 1.424 264 1HG2 VAL 33 HG21 VAL 33 -7.162 -0.863 3.199 265 2HG2 VAL 33 HG22 VAL 33 -5.660 -0.983 2.283 266 3HG2 VAL 33 HG23 VAL 33 -6.123 -2.275 3.390 267 H LYS 34 HN LYS 34 -7.138 -4.739 -0.393 268 HA LYS 34 HA LYS 34 -5.335 -6.553 0.902 269 1HB LYS 34 HB2 LYS 34 -7.577 -7.072 -0.096 270 2HB LYS 34 HB1 LYS 34 -6.880 -6.848 -1.701 271 1HG LYS 34 HG2 LYS 34 -5.275 -8.669 -1.265 272 2HG LYS 34 HG1 LYS 34 -5.966 -8.895 0.342 273 1HD LYS 34 HD2 LYS 34 -8.154 -9.431 -0.670 274 2HD LYS 34 HD1 LYS 34 -7.463 -9.210 -2.278 275 1HE LYS 34 HE2 LYS 34 -6.030 -11.108 -2.037 276 2HE LYS 34 HE1 LYS 34 -6.329 -11.199 -0.290 277 1HZ LYS 34 HZ1 LYS 34 -8.510 -11.392 -2.289 278 2HZ LYS 34 HZ2 LYS 34 -8.564 -11.790 -0.638 279 3HZ LYS 34 HZ3 LYS 34 -7.684 -12.760 -1.721 280 H GLN 35 HN GLN 35 -5.297 -4.986 -2.282 281 HA GLN 35 HA GLN 35 -3.039 -6.304 -3.423 282 1HB GLN 35 HB2 GLN 35 -4.765 -4.718 -4.475 283 2HB GLN 35 HB1 GLN 35 -3.843 -3.398 -3.764 284 1HG GLN 35 HG2 GLN 35 -1.833 -4.092 -4.979 285 2HG GLN 35 HG1 GLN 35 -2.699 -5.468 -5.661 286 1HE2 GLN 35 HE21 GLN 35 -2.754 -4.841 -7.873 287 2HE2 GLN 35 HE22 GLN 35 -3.500 -3.418 -8.422 288 H LEU 36 HN LEU 36 -3.195 -3.200 -1.635 289 HA LEU 36 HA LEU 36 -0.382 -2.705 -1.618 290 1HB LEU 36 HB2 LEU 36 -1.125 -0.799 -0.662 291 2HB LEU 36 HB1 LEU 36 -2.744 -1.464 -0.779 292 HG LEU 36 HG LEU 36 -2.285 -2.542 1.520 293 1HD1 LEU 36 HD11 LEU 36 0.178 -0.961 1.068 294 2HD1 LEU 36 HD12 LEU 36 -0.084 -2.366 2.101 295 3HD1 LEU 36 HD13 LEU 36 -0.553 -0.761 2.661 296 1HD2 LEU 36 HD21 LEU 36 -2.969 -0.526 2.681 297 2HD2 LEU 36 HD22 LEU 36 -3.722 -0.518 1.086 298 3HD2 LEU 36 HD23 LEU 36 -2.308 0.489 1.399 299 H LEU 37 HN LEU 37 -2.449 -4.555 0.605 300 HA LEU 37 HA LEU 37 -0.572 -5.044 2.673 301 1HB LEU 37 HB2 LEU 37 -2.974 -6.379 1.548 302 2HB LEU 37 HB1 LEU 37 -2.014 -7.280 2.719 303 HG LEU 37 HG LEU 37 -2.938 -4.444 3.223 304 1HD1 LEU 37 HD11 LEU 37 -4.898 -5.227 4.254 305 2HD1 LEU 37 HD12 LEU 37 -4.287 -6.876 4.379 306 3HD1 LEU 37 HD13 LEU 37 -4.799 -6.242 2.815 307 1HD2 LEU 37 HD21 LEU 37 -2.364 -6.572 5.268 308 2HD2 LEU 37 HD22 LEU 37 -2.224 -4.821 5.419 309 3HD2 LEU 37 HD23 LEU 37 -1.023 -5.726 4.497 310 H SER 38 HN SER 38 -1.126 -6.772 -0.387 311 HA SER 38 HA SER 38 0.743 -8.901 0.021 312 1HB SER 38 HB2 SER 38 -0.270 -7.445 -2.437 313 2HB SER 38 HB1 SER 38 0.718 -8.900 -2.526 314 HG SER 38 HG SER 38 -1.371 -9.588 -2.532 315 H LEU 39 HN LEU 39 1.134 -5.605 -1.274 316 HA LEU 39 HA LEU 39 3.919 -5.865 -2.001 317 1HB LEU 39 HB2 LEU 39 2.250 -3.450 -1.194 318 2HB LEU 39 HB1 LEU 39 3.786 -3.381 -2.056 319 HG LEU 39 HG LEU 39 1.172 -4.557 -3.048 320 1HD1 LEU 39 HD11 LEU 39 1.599 -2.859 -4.881 321 2HD1 LEU 39 HD12 LEU 39 2.911 -2.227 -3.886 322 3HD1 LEU 39 HD13 LEU 39 1.250 -2.171 -3.295 323 1HD2 LEU 39 HD21 LEU 39 3.024 -6.009 -3.777 324 2HD2 LEU 39 HD22 LEU 39 3.925 -4.603 -4.344 325 3HD2 LEU 39 HD23 LEU 39 2.424 -5.071 -5.144 326 H LYS 40 HN LYS 40 2.240 -4.669 0.899 327 HA LYS 40 HA LYS 40 4.518 -3.858 2.414 328 1HB LYS 40 HB2 LYS 40 2.163 -3.325 2.947 329 2HB LYS 40 HB1 LYS 40 1.856 -5.027 3.291 330 1HG LYS 40 HG2 LYS 40 3.212 -5.013 5.216 331 2HG LYS 40 HG1 LYS 40 4.035 -3.533 4.734 332 1HD LYS 40 HD2 LYS 40 2.458 -3.025 6.524 333 2HD LYS 40 HD1 LYS 40 1.885 -2.292 5.025 334 1HE LYS 40 HE2 LYS 40 0.337 -4.181 4.672 335 2HE LYS 40 HE1 LYS 40 0.921 -4.943 6.165 336 1HZ LYS 40 HZ1 LYS 40 0.368 -2.785 7.295 337 2HZ LYS 40 HZ2 LYS 40 -0.973 -3.683 6.764 338 3HZ LYS 40 HZ3 LYS 40 -0.452 -2.328 5.882 339 H ALA 41 HN ALA 41 2.908 -7.003 2.076 340 HA ALA 41 HA ALA 41 4.291 -8.440 4.101 341 1HB ALA 41 HB1 ALA 41 3.715 -10.395 2.526 342 2HB ALA 41 HB2 ALA 41 3.069 -9.171 1.433 343 3HB ALA 41 HB3 ALA 41 2.370 -9.376 3.039 344 H GLU 42 HN GLU 42 5.167 -7.894 0.662 345 HA GLU 42 HA GLU 42 7.519 -9.532 0.650 346 1HB GLU 42 HB2 GLU 42 6.654 -7.069 -0.892 347 2HB GLU 42 HB1 GLU 42 8.101 -7.995 -1.300 348 1HG GLU 42 HG2 GLU 42 6.775 -10.005 -1.652 349 2HG GLU 42 HG1 GLU 42 5.316 -9.179 -1.108 350 H TYR 43 HN TYR 43 7.037 -6.090 1.458 351 HA TYR 43 HA TYR 43 9.770 -5.361 1.871 352 1HB TYR 43 HB2 TYR 43 7.327 -4.143 1.951 353 2HB TYR 43 HB1 TYR 43 7.696 -4.235 3.676 354 HD1 TYR 43 HD1 TYR 43 7.895 -2.088 1.027 355 HD2 TYR 43 HD2 TYR 43 10.441 -3.806 4.024 356 HE1 TYR 43 HE1 TYR 43 9.457 -0.178 0.791 357 HE2 TYR 43 HE2 TYR 43 12.006 -1.894 3.793 358 HH TYR 43 HH TYR 43 12.017 0.165 1.236 359 H LYS 44 HN LYS 44 7.350 -6.776 4.017 360 HA LYS 44 HA LYS 44 8.755 -6.748 6.491 361 1HB LYS 44 HB2 LYS 44 6.346 -7.241 6.105 362 2HB LYS 44 HB1 LYS 44 6.796 -8.775 5.364 363 1HG LYS 44 HG2 LYS 44 7.867 -9.475 7.486 364 2HG LYS 44 HG1 LYS 44 7.368 -7.952 8.225 365 1HD LYS 44 HD2 LYS 44 4.990 -8.529 7.658 366 2HD LYS 44 HD1 LYS 44 5.554 -10.112 7.123 367 1HE LYS 44 HE2 LYS 44 6.049 -10.818 9.283 368 2HE LYS 44 HE1 LYS 44 6.323 -9.164 9.869 369 1HZ LYS 44 HZ1 LYS 44 3.700 -10.246 8.985 370 2HZ LYS 44 HZ2 LYS 44 3.988 -8.690 9.604 371 3HZ LYS 44 HZ3 LYS 44 4.167 -10.052 10.604 372 H GLU 45 HN GLU 45 8.877 -9.034 3.792 373 HA GLU 45 HA GLU 45 10.153 -11.228 5.004 374 1HB GLU 45 HB2 GLU 45 10.356 -10.023 2.234 375 2HB GLU 45 HB1 GLU 45 11.001 -11.611 2.646 376 1HG GLU 45 HG2 GLU 45 8.756 -12.338 3.377 377 2HG GLU 45 HG1 GLU 45 8.110 -10.752 2.963 378 H LYS 46 HN LYS 46 11.705 -8.265 3.663 379 HA LYS 46 HA LYS 46 14.398 -9.182 3.908 380 1HB LYS 46 HB2 LYS 46 13.120 -6.441 4.012 381 2HB LYS 46 HB1 LYS 46 14.864 -6.681 3.976 382 1HG LYS 46 HG2 LYS 46 14.625 -7.956 1.854 383 2HG LYS 46 HG1 LYS 46 12.890 -7.634 1.881 384 1HD LYS 46 HD2 LYS 46 13.323 -5.211 1.821 385 2HD LYS 46 HD1 LYS 46 15.059 -5.515 1.822 386 1HE LYS 46 HE2 LYS 46 14.961 -6.569 -0.348 387 2HE LYS 46 HE1 LYS 46 13.187 -6.569 -0.326 388 1HZ LYS 46 HZ1 LYS 46 13.098 -4.268 -0.495 389 2HZ LYS 46 HZ2 LYS 46 14.382 -4.657 -1.537 390 3HZ LYS 46 HZ3 LYS 46 14.702 -4.050 0.017 391 H THR 47 HN THR 47 12.636 -6.994 6.185 392 HA THR 47 HA THR 47 13.954 -8.333 8.472 393 HB THR 47 HB THR 47 14.390 -5.375 8.023 394 HG1 THR 47 HG1 THR 47 15.777 -5.886 6.557 395 1HG2 THR 47 HG21 THR 47 16.512 -6.330 9.425 396 2HG2 THR 47 HG22 THR 47 15.253 -7.443 9.958 397 3HG2 THR 47 HG23 THR 47 15.046 -5.706 10.180 398 H GLY 48 HN GLY 48 11.151 -7.581 7.452 399 1HA GLY 48 HA2 GLY 48 9.122 -7.065 8.525 400 2HA GLY 48 HA1 GLY 48 10.023 -6.910 10.031 401 H GLN 49 HN GLN 49 10.644 -5.059 7.071 402 HA GLN 49 HA GLN 49 10.441 -2.550 8.593 403 1HB GLN 49 HB2 GLN 49 11.184 -3.341 5.774 404 2HB GLN 49 HB1 GLN 49 11.157 -1.660 6.302 405 1HG GLN 49 HG2 GLN 49 12.836 -2.083 7.976 406 2HG GLN 49 HG1 GLN 49 12.737 -3.825 7.713 407 1HE2 GLN 49 HE21 GLN 49 15.119 -2.010 7.353 408 2HE2 GLN 49 HE22 GLN 49 15.602 -2.219 5.739 409 H GLU 50 HN GLU 50 8.336 -4.427 6.580 410 HA GLU 50 HA GLU 50 6.322 -3.948 5.438 411 1HB GLU 50 HB2 GLU 50 4.694 -3.130 7.046 412 2HB GLU 50 HB1 GLU 50 5.863 -4.157 7.870 413 1HG GLU 50 HG2 GLU 50 7.015 -2.243 8.782 414 2HG GLU 50 HG1 GLU 50 6.074 -1.134 7.786 415 H TYR 51 HN TYR 51 4.577 -1.808 5.459 416 HA TYR 51 HA TYR 51 5.819 0.020 3.582 417 1HB TYR 51 HB2 TYR 51 3.465 -0.708 3.485 418 2HB TYR 51 HB1 TYR 51 3.156 0.056 5.043 419 HD1 TYR 51 HD1 TYR 51 2.018 2.074 4.907 420 HD2 TYR 51 HD2 TYR 51 4.819 1.058 1.812 421 HE1 TYR 51 HE1 TYR 51 1.527 4.216 3.758 422 HE2 TYR 51 HE2 TYR 51 4.325 3.200 0.663 423 HH TYR 51 HH TYR 51 3.430 5.546 1.449 424 H LYS 52 HN LYS 52 7.371 1.408 4.450 425 HA LYS 52 HA LYS 52 7.203 2.572 7.095 426 1HB LYS 52 HB2 LYS 52 8.811 3.029 4.581 427 2HB LYS 52 HB1 LYS 52 8.993 4.111 5.963 428 1HG LYS 52 HG2 LYS 52 9.090 1.164 6.465 429 2HG LYS 52 HG1 LYS 52 10.497 1.925 5.724 430 1HD LYS 52 HD2 LYS 52 11.068 3.020 7.633 431 2HD LYS 52 HD1 LYS 52 9.394 3.411 8.024 432 1HE LYS 52 HE2 LYS 52 9.978 0.532 8.243 433 2HE LYS 52 HE1 LYS 52 10.916 1.534 9.367 434 1HZ LYS 52 HZ1 LYS 52 7.974 1.656 8.951 435 2HZ LYS 52 HZ2 LYS 52 8.860 2.691 9.967 436 3HZ LYS 52 HZ3 LYS 52 8.761 1.031 10.318 437 HA PRO 53 HA PRO 53 4.224 5.671 5.980 438 1HB PRO 53 HB2 PRO 53 4.507 7.360 8.104 439 2HB PRO 53 HB1 PRO 53 3.664 5.801 8.207 440 1HG PRO 53 HG2 PRO 53 6.432 6.510 9.049 441 2HG PRO 53 HG1 PRO 53 5.240 5.475 9.850 442 1HD PRO 53 HD2 PRO 53 7.322 4.503 8.390 443 2HD PRO 53 HD1 PRO 53 5.772 3.648 8.572 444 H GLY 54 HN GLY 54 4.238 8.272 6.038 445 1HA GLY 54 HA2 GLY 54 5.211 10.272 5.305 446 2HA GLY 54 HA1 GLY 54 6.790 9.576 5.647 447 H ASN 55 HN ASN 55 4.795 7.671 3.555 448 HA ASN 55 HA ASN 55 5.032 7.130 1.264 449 1HB ASN 55 HB2 ASN 55 4.907 10.035 1.632 450 2HB ASN 55 HB1 ASN 55 5.729 9.596 0.136 451 1HD2 ASN 55 HD21 ASN 55 2.940 10.747 0.600 452 2HD2 ASN 55 HD22 ASN 55 1.893 9.667 -0.198 453 HA PRO 56 HA PRO 56 9.276 6.606 0.182 454 1HB PRO 56 HB2 PRO 56 9.496 7.272 -2.473 455 2HB PRO 56 HB1 PRO 56 8.739 5.771 -1.902 456 1HG PRO 56 HG2 PRO 56 7.470 8.307 -2.804 457 2HG PRO 56 HG1 PRO 56 6.972 6.632 -3.088 458 1HD PRO 56 HD2 PRO 56 5.791 8.229 -1.245 459 2HD PRO 56 HD1 PRO 56 5.902 6.465 -1.068 460 HA PRO 57 HA PRO 57 11.217 10.535 0.675 461 1HB PRO 57 HB2 PRO 57 13.825 9.882 0.165 462 2HB PRO 57 HB1 PRO 57 12.988 9.437 1.666 463 1HG PRO 57 HG2 PRO 57 13.564 7.786 -0.740 464 2HG PRO 57 HG1 PRO 57 13.602 7.340 0.973 465 1HD PRO 57 HD2 PRO 57 11.549 6.700 -0.706 466 2HD PRO 57 HD1 PRO 57 11.358 6.922 1.048 Start of MODEL 2 1 2H ASP 1 HN2 ASP 1 18.070 4.163 1.153 2 H ASP 1 H ASP 1 16.544 4.151 0.408 3 HA ASP 1 HA ASP 1 18.514 4.308 -1.147 4 1HB ASP 1 HB2 ASP 1 19.772 2.683 0.326 5 2HB ASP 1 HB1 ASP 1 18.723 1.406 -0.288 6 H SER 2 HN SER 2 16.422 1.466 -0.519 7 HA SER 2 HA SER 2 15.715 1.051 -3.300 8 1HB SER 2 HB2 SER 2 14.713 0.127 -0.609 9 2HB SER 2 HB1 SER 2 13.869 -0.333 -2.085 10 HG SER 2 HG SER 2 16.474 -0.954 -1.224 11 H LEU 3 HN LEU 3 15.278 3.636 -3.243 12 HA LEU 3 HA LEU 3 12.777 4.622 -2.227 13 1HB LEU 3 HB2 LEU 3 14.934 5.786 -3.103 14 2HB LEU 3 HB1 LEU 3 14.207 5.608 -4.696 15 HG LEU 3 HG LEU 3 12.095 6.665 -3.499 16 1HD1 LEU 3 HD11 LEU 3 14.318 7.990 -1.945 17 2HD1 LEU 3 HD12 LEU 3 13.452 6.602 -1.287 18 3HD1 LEU 3 HD13 LEU 3 12.579 8.087 -1.670 19 1HD2 LEU 3 HD21 LEU 3 12.724 8.752 -4.435 20 2HD2 LEU 3 HD22 LEU 3 13.640 7.571 -5.372 21 3HD2 LEU 3 HD23 LEU 3 14.433 8.485 -4.089 22 H VAL 4 HN VAL 4 13.728 3.255 -5.364 23 HA VAL 4 HA VAL 4 11.325 3.727 -6.821 24 HB VAL 4 HB VAL 4 13.365 1.480 -6.942 25 1HG1 VAL 4 HG11 VAL 4 11.651 0.671 -8.304 26 2HG1 VAL 4 HG12 VAL 4 12.598 1.614 -9.454 27 3HG1 VAL 4 HG13 VAL 4 11.120 2.288 -8.769 28 1HG2 VAL 4 HG21 VAL 4 14.458 3.595 -7.196 29 2HG2 VAL 4 HG22 VAL 4 13.170 4.211 -8.232 30 3HG2 VAL 4 HG23 VAL 4 14.254 2.952 -8.826 31 H LEU 5 HN LEU 5 12.272 0.889 -4.849 32 HA LEU 5 HA LEU 5 9.947 -0.700 -5.300 33 1HB LEU 5 HB2 LEU 5 11.857 -0.428 -2.960 34 2HB LEU 5 HB1 LEU 5 10.654 -1.713 -3.081 35 HG LEU 5 HG LEU 5 12.791 -1.159 -5.159 36 1HD1 LEU 5 HD11 LEU 5 12.746 -3.627 -3.482 37 2HD1 LEU 5 HD12 LEU 5 13.330 -2.144 -2.729 38 3HD1 LEU 5 HD13 LEU 5 14.120 -2.768 -4.178 39 1HD2 LEU 5 HD21 LEU 5 11.172 -2.289 -6.359 40 2HD2 LEU 5 HD22 LEU 5 10.490 -3.049 -4.921 41 3HD2 LEU 5 HD23 LEU 5 11.981 -3.675 -5.625 42 H TYR 6 HN TYR 6 10.632 1.817 -2.902 43 HA TYR 6 HA TYR 6 8.313 1.592 -1.271 44 1HB TYR 6 HB2 TYR 6 10.371 3.601 -1.974 45 2HB TYR 6 HB1 TYR 6 8.873 4.276 -1.337 46 HD1 TYR 6 HD1 TYR 6 8.860 4.636 0.941 47 HD2 TYR 6 HD2 TYR 6 11.051 1.286 -0.613 48 HE1 TYR 6 HE1 TYR 6 9.544 4.014 3.244 49 HE2 TYR 6 HE2 TYR 6 11.735 0.664 1.686 50 HH TYR 6 HH TYR 6 12.025 1.933 3.923 51 H ASN 7 HN ASN 7 8.838 3.302 -4.339 52 HA ASN 7 HA ASN 7 6.378 4.727 -4.478 53 1HB ASN 7 HB2 ASN 7 8.166 3.502 -6.600 54 2HB ASN 7 HB1 ASN 7 6.874 4.645 -6.947 55 1HD2 ASN 7 HD21 ASN 7 9.709 5.195 -7.434 56 2HD2 ASN 7 HD22 ASN 7 10.141 6.497 -6.435 57 H ARG 8 HN ARG 8 7.191 1.389 -5.499 58 HA ARG 8 HA ARG 8 4.737 0.759 -6.811 59 1HB ARG 8 HB2 ARG 8 6.751 -0.877 -5.248 60 2HB ARG 8 HB1 ARG 8 5.444 -1.605 -6.179 61 1HG ARG 8 HG2 ARG 8 6.257 -0.480 -8.217 62 2HG ARG 8 HG1 ARG 8 7.567 0.253 -7.291 63 1HD ARG 8 HD2 ARG 8 8.468 -1.715 -8.393 64 2HD ARG 8 HD1 ARG 8 8.301 -2.113 -6.672 65 HE ARG 8 HE ARG 8 6.154 -3.248 -7.248 66 1HH1 ARG 8 HH21 ARG 8 5.735 -2.038 -9.952 67 2HH1 ARG 8 HH22 ARG 8 6.228 -3.320 -11.008 68 1HH2 ARG 8 HH11 ARG 8 7.910 -5.070 -8.531 69 2HH2 ARG 8 HH12 ARG 8 7.459 -5.036 -10.203 70 H VAL 9 HN VAL 9 5.660 0.138 -3.384 71 HA VAL 9 HA VAL 9 3.029 -0.825 -2.646 72 HB VAL 9 HB VAL 9 3.947 -0.675 -0.364 73 1HG1 VAL 9 HG11 VAL 9 6.346 -1.492 -1.927 74 2HG1 VAL 9 HG12 VAL 9 4.827 -2.306 -2.301 75 3HG1 VAL 9 HG13 VAL 9 5.476 -2.361 -0.663 76 1HG2 VAL 9 HG21 VAL 9 6.278 0.795 -1.634 77 2HG2 VAL 9 HG22 VAL 9 6.157 0.311 0.054 78 3HG2 VAL 9 HG23 VAL 9 5.066 1.535 -0.588 79 H ALA 10 HN ALA 10 4.698 2.270 -2.545 80 HA ALA 10 HA ALA 10 2.807 3.828 -1.093 81 1HB ALA 10 HB1 ALA 10 5.132 4.455 -1.718 82 2HB ALA 10 HB2 ALA 10 3.972 5.699 -2.183 83 3HB ALA 10 HB3 ALA 10 4.624 4.600 -3.399 84 H VAL 11 HN VAL 11 3.001 3.037 -4.571 85 HA VAL 11 HA VAL 11 0.945 4.776 -5.500 86 HB VAL 11 HB VAL 11 1.988 2.077 -6.421 87 1HG1 VAL 11 HG11 VAL 11 0.992 2.988 -8.685 88 2HG1 VAL 11 HG12 VAL 11 -0.105 3.868 -7.620 89 3HG1 VAL 11 HG13 VAL 11 -0.045 2.106 -7.564 90 1HG2 VAL 11 HG21 VAL 11 2.430 4.584 -7.947 91 2HG2 VAL 11 HG22 VAL 11 3.546 3.264 -7.601 92 3HG2 VAL 11 HG23 VAL 11 3.229 4.494 -6.378 93 H GLN 12 HN GLN 12 0.685 1.311 -4.479 94 HA GLN 12 HA GLN 12 -2.158 1.116 -4.799 95 1HB GLN 12 HB2 GLN 12 -0.607 -0.789 -4.465 96 2HB GLN 12 HB1 GLN 12 -0.292 -0.240 -2.819 97 1HG GLN 12 HG2 GLN 12 -1.957 -1.976 -2.669 98 2HG GLN 12 HG1 GLN 12 -2.780 -0.444 -2.378 99 1HE2 GLN 12 HE21 GLN 12 -4.608 -0.074 -3.644 100 2HE2 GLN 12 HE22 GLN 12 -4.961 -0.875 -5.098 101 H GLY 13 HN GLY 13 -0.213 1.805 -1.893 102 1HA GLY 13 HA2 GLY 13 -2.011 2.172 0.121 103 2HA GLY 13 HA1 GLY 13 -0.653 3.293 -0.099 104 H ASP 14 HN ASP 14 -1.160 4.794 -2.136 105 HA ASP 14 HA ASP 14 -3.172 6.643 -1.271 106 1HB ASP 14 HB2 ASP 14 -1.555 6.298 -3.812 107 2HB ASP 14 HB1 ASP 14 -2.589 7.698 -3.517 108 H VAL 15 HN VAL 15 -3.189 4.112 -3.786 109 HA VAL 15 HA VAL 15 -5.597 4.850 -5.131 110 HB VAL 15 HB VAL 15 -4.359 2.132 -4.565 111 1HG1 VAL 15 HG11 VAL 15 -5.534 1.617 -6.815 112 2HG1 VAL 15 HG12 VAL 15 -6.534 3.024 -6.450 113 3HG1 VAL 15 HG13 VAL 15 -6.523 1.641 -5.356 114 1HG2 VAL 15 HG21 VAL 15 -4.108 3.482 -7.197 115 2HG2 VAL 15 HG22 VAL 15 -2.927 2.522 -6.309 116 3HG2 VAL 15 HG23 VAL 15 -3.203 4.207 -5.868 117 H VAL 16 HN VAL 16 -5.065 2.863 -2.221 118 HA VAL 16 HA VAL 16 -7.761 1.991 -1.784 119 HB VAL 16 HB VAL 16 -5.395 2.599 0.025 120 1HG1 VAL 16 HG11 VAL 16 -7.937 1.101 0.751 121 2HG1 VAL 16 HG12 VAL 16 -7.516 2.712 1.333 122 3HG1 VAL 16 HG13 VAL 16 -6.526 1.325 1.785 123 1HG2 VAL 16 HG21 VAL 16 -6.281 0.355 -1.647 124 2HG2 VAL 16 HG22 VAL 16 -5.911 -0.130 0.006 125 3HG2 VAL 16 HG23 VAL 16 -4.690 0.687 -0.968 126 H ARG 17 HN ARG 17 -5.990 4.834 -0.547 127 HA ARG 17 HA ARG 17 -8.124 6.038 0.909 128 1HB ARG 17 HB2 ARG 17 -5.642 6.554 0.940 129 2HB ARG 17 HB1 ARG 17 -5.868 7.408 -0.586 130 1HG ARG 17 HG2 ARG 17 -7.376 8.987 0.430 131 2HG ARG 17 HG1 ARG 17 -7.437 8.048 1.922 132 1HD ARG 17 HD2 ARG 17 -5.911 9.902 2.291 133 2HD ARG 17 HD1 ARG 17 -4.925 8.434 2.140 134 HE ARG 17 HE ARG 17 -4.283 9.130 -0.080 135 1HH1 ARG 17 HH21 ARG 17 -3.855 11.749 1.232 136 2HH1 ARG 17 HH22 ARG 17 -4.780 12.830 0.243 137 1HH2 ARG 17 HH11 ARG 17 -6.620 10.312 -1.263 138 2HH2 ARG 17 HH12 ARG 17 -6.337 12.018 -1.168 139 H GLU 18 HN GLU 18 -7.107 6.474 -2.501 140 HA GLU 18 HA GLU 18 -8.982 8.521 -3.186 141 1HB GLU 18 HB2 GLU 18 -7.561 6.386 -4.746 142 2HB GLU 18 HB1 GLU 18 -8.499 7.656 -5.519 143 1HG GLU 18 HG2 GLU 18 -7.094 9.361 -4.427 144 2HG GLU 18 HG1 GLU 18 -6.152 8.092 -3.647 145 H LEU 19 HN LEU 19 -9.229 4.969 -3.425 146 HA LEU 19 HA LEU 19 -11.738 4.837 -4.763 147 1HB LEU 19 HB2 LEU 19 -10.321 3.059 -2.799 148 2HB LEU 19 HB1 LEU 19 -11.792 2.557 -3.624 149 HG LEU 19 HG LEU 19 -9.341 3.550 -5.101 150 1HD1 LEU 19 HD11 LEU 19 -9.100 1.389 -3.624 151 2HD1 LEU 19 HD12 LEU 19 -8.536 1.362 -5.295 152 3HD1 LEU 19 HD13 LEU 19 -10.093 0.647 -4.877 153 1HD2 LEU 19 HD21 LEU 19 -11.866 3.312 -6.003 154 2HD2 LEU 19 HD22 LEU 19 -11.349 1.641 -6.214 155 3HD2 LEU 19 HD23 LEU 19 -10.474 2.942 -7.020 156 H LYS 20 HN LYS 20 -10.961 5.036 -1.323 157 HA LYS 20 HA LYS 20 -13.639 4.763 -0.344 158 1HB LYS 20 HB2 LYS 20 -11.311 4.561 0.817 159 2HB LYS 20 HB1 LYS 20 -11.429 6.312 1.003 160 1HG LYS 20 HG2 LYS 20 -12.358 5.384 2.999 161 2HG LYS 20 HG1 LYS 20 -13.735 5.906 2.025 162 1HD LYS 20 HD2 LYS 20 -14.158 3.666 1.262 163 2HD LYS 20 HD1 LYS 20 -12.638 3.085 1.942 164 1HE LYS 20 HE2 LYS 20 -13.438 3.505 4.214 165 2HE LYS 20 HE1 LYS 20 -14.942 4.203 3.580 166 1HZ LYS 20 HZ1 LYS 20 -13.961 1.426 3.203 167 2HZ LYS 20 HZ2 LYS 20 -15.285 2.082 2.366 168 3HZ LYS 20 HZ3 LYS 20 -15.346 1.910 4.055 169 H ALA 21 HN ALA 21 -11.604 7.528 -1.213 170 HA ALA 21 HA ALA 21 -13.375 9.631 -0.410 171 1HB ALA 21 HB1 ALA 21 -10.904 9.643 -1.235 172 2HB ALA 21 HB2 ALA 21 -11.933 10.991 -1.720 173 3HB ALA 21 HB3 ALA 21 -11.596 9.685 -2.856 174 H LYS 22 HN LYS 22 -13.353 7.420 -3.133 175 HA LYS 22 HA LYS 22 -15.375 8.950 -4.649 176 1HB LYS 22 HB2 LYS 22 -13.975 6.281 -4.976 177 2HB LYS 22 HB1 LYS 22 -15.165 6.891 -6.129 178 1HG LYS 22 HG2 LYS 22 -13.802 8.923 -6.469 179 2HG LYS 22 HG1 LYS 22 -12.610 8.313 -5.321 180 1HD LYS 22 HD2 LYS 22 -12.201 6.360 -6.760 181 2HD LYS 22 HD1 LYS 22 -13.406 6.944 -7.908 182 1HE LYS 22 HE2 LYS 22 -11.782 9.157 -7.634 183 2HE LYS 22 HE1 LYS 22 -10.617 7.821 -7.528 184 1HZ LYS 22 HZ1 LYS 22 -12.717 8.126 -9.612 185 2HZ LYS 22 HZ2 LYS 22 -11.614 6.838 -9.499 186 3HZ LYS 22 HZ3 LYS 22 -11.061 8.408 -9.840 187 H LYS 23 HN LYS 23 -15.661 7.310 -1.842 188 HA LYS 23 HA LYS 23 -17.416 6.204 -0.743 189 1HB LYS 23 HB2 LYS 23 -18.850 7.390 -3.121 190 2HB LYS 23 HB1 LYS 23 -19.670 6.707 -1.721 191 1HG LYS 23 HG2 LYS 23 -18.522 8.327 -0.255 192 2HG LYS 23 HG1 LYS 23 -17.711 9.022 -1.657 193 1HD LYS 23 HD2 LYS 23 -19.902 9.625 -2.627 194 2HD LYS 23 HD1 LYS 23 -20.712 8.935 -1.219 195 1HE LYS 23 HE2 LYS 23 -19.470 10.551 0.241 196 2HE LYS 23 HE1 LYS 23 -18.804 11.300 -1.223 197 1HZ LYS 23 HZ1 LYS 23 -21.664 11.040 -0.473 198 2HZ LYS 23 HZ2 LYS 23 -21.145 11.493 -2.027 199 3HZ LYS 23 HZ3 LYS 23 -20.782 12.473 -0.688 200 H ALA 24 HN ALA 24 -15.912 4.874 -3.091 201 HA ALA 24 HA ALA 24 -17.636 3.098 -4.491 202 1HB ALA 24 HB1 ALA 24 -15.002 3.656 -4.498 203 2HB ALA 24 HB2 ALA 24 -15.644 2.168 -5.195 204 3HB ALA 24 HB3 ALA 24 -14.958 2.157 -3.571 205 HA PRO 25 HA PRO 25 -18.978 0.194 -1.495 206 1HB PRO 25 HB2 PRO 25 -18.676 -2.225 -2.749 207 2HB PRO 25 HB1 PRO 25 -19.950 -1.063 -3.168 208 1HG PRO 25 HG2 PRO 25 -17.336 -1.567 -4.512 209 2HG PRO 25 HG1 PRO 25 -18.932 -1.279 -5.225 210 1HD PRO 25 HD2 PRO 25 -17.044 0.645 -5.077 211 2HD PRO 25 HD1 PRO 25 -18.785 1.005 -4.966 212 H LYS 26 HN LYS 26 -18.280 -1.566 -0.058 213 HA LYS 26 HA LYS 26 -15.643 -1.346 0.937 214 1HB LYS 26 HB2 LYS 26 -17.726 -3.543 1.090 215 2HB LYS 26 HB1 LYS 26 -16.278 -3.514 2.096 216 1HG LYS 26 HG2 LYS 26 -16.945 -1.280 2.958 217 2HG LYS 26 HG1 LYS 26 -18.422 -1.370 1.999 218 1HD LYS 26 HD2 LYS 26 -17.662 -3.453 4.060 219 2HD LYS 26 HD1 LYS 26 -18.682 -2.063 4.426 220 1HE LYS 26 HE2 LYS 26 -19.362 -3.894 2.118 221 2HE LYS 26 HE1 LYS 26 -19.881 -4.270 3.772 222 1HZ LYS 26 HZ1 LYS 26 -20.375 -1.729 2.311 223 2HZ LYS 26 HZ2 LYS 26 -20.790 -2.015 3.934 224 3HZ LYS 26 HZ3 LYS 26 -21.538 -2.903 2.694 225 H GLU 27 HN GLU 27 -16.933 -3.361 -1.628 226 HA GLU 27 HA GLU 27 -14.934 -5.367 -1.826 227 1HB GLU 27 HB2 GLU 27 -16.679 -3.939 -3.849 228 2HB GLU 27 HB1 GLU 27 -15.713 -5.359 -4.254 229 1HG GLU 27 HG2 GLU 27 -16.887 -6.714 -2.652 230 2HG GLU 27 HG1 GLU 27 -17.703 -5.309 -1.972 231 H ASP 28 HN ASP 28 -15.019 -2.061 -3.188 232 HA ASP 28 HA ASP 28 -12.547 -2.312 -4.684 233 1HB ASP 28 HB2 ASP 28 -14.330 -0.088 -3.705 234 2HB ASP 28 HB1 ASP 28 -12.801 0.292 -4.500 235 H VAL 29 HN VAL 29 -13.332 -0.873 -1.501 236 HA VAL 29 HA VAL 29 -10.637 -0.025 -0.899 237 HB VAL 29 HB VAL 29 -13.074 -0.650 0.805 238 1HG1 VAL 29 HG11 VAL 29 -10.474 0.743 1.503 239 2HG1 VAL 29 HG12 VAL 29 -11.147 -0.700 2.262 240 3HG1 VAL 29 HG13 VAL 29 -11.937 0.861 2.483 241 1HG2 VAL 29 HG21 VAL 29 -13.511 1.708 0.689 242 2HG2 VAL 29 HG22 VAL 29 -13.208 1.170 -0.962 243 3HG2 VAL 29 HG23 VAL 29 -11.949 2.022 -0.068 244 H ASP 30 HN ASP 30 -12.551 -2.843 0.192 245 HA ASP 30 HA ASP 30 -10.546 -4.084 1.773 246 1HB ASP 30 HB2 ASP 30 -12.900 -5.123 0.182 247 2HB ASP 30 HB1 ASP 30 -11.970 -6.140 1.286 248 H ALA 31 HN ALA 31 -11.357 -4.603 -1.678 249 HA ALA 31 HA ALA 31 -9.425 -6.641 -2.184 250 1HB ALA 31 HB1 ALA 31 -11.216 -6.197 -3.727 251 2HB ALA 31 HB2 ALA 31 -9.723 -5.788 -4.574 252 3HB ALA 31 HB3 ALA 31 -10.732 -4.510 -3.896 253 H ALA 32 HN ALA 32 -9.211 -3.107 -2.650 254 HA ALA 32 HA ALA 32 -6.484 -3.106 -3.576 255 1HB ALA 32 HB1 ALA 32 -6.716 -0.745 -3.412 256 2HB ALA 32 HB2 ALA 32 -7.849 -0.867 -2.065 257 3HB ALA 32 HB3 ALA 32 -8.361 -1.314 -3.693 258 H VAL 33 HN VAL 33 -7.896 -2.657 -0.302 259 HA VAL 33 HA VAL 33 -5.358 -2.153 0.981 260 HB VAL 33 HB VAL 33 -7.912 -1.823 1.678 261 1HG1 VAL 33 HG11 VAL 33 -8.464 -3.421 3.557 262 2HG1 VAL 33 HG12 VAL 33 -7.203 -4.485 2.945 263 3HG1 VAL 33 HG13 VAL 33 -8.605 -4.109 1.947 264 1HG2 VAL 33 HG21 VAL 33 -6.166 -2.512 3.985 265 2HG2 VAL 33 HG22 VAL 33 -7.070 -1.034 3.656 266 3HG2 VAL 33 HG23 VAL 33 -5.540 -1.332 2.832 267 H LYS 34 HN LYS 34 -7.228 -5.134 0.309 268 HA LYS 34 HA LYS 34 -5.501 -6.974 1.705 269 1HB LYS 34 HB2 LYS 34 -7.298 -7.154 -0.728 270 2HB LYS 34 HB1 LYS 34 -6.447 -8.559 -0.090 271 1HG LYS 34 HG2 LYS 34 -7.588 -8.414 2.007 272 2HG LYS 34 HG1 LYS 34 -8.249 -6.827 1.615 273 1HD LYS 34 HD2 LYS 34 -10.003 -8.446 1.244 274 2HD LYS 34 HD1 LYS 34 -9.437 -7.910 -0.339 275 1HE LYS 34 HE2 LYS 34 -7.969 -9.906 -0.489 276 2HE LYS 34 HE1 LYS 34 -8.588 -10.461 1.079 277 1HZ LYS 34 HZ1 LYS 34 -10.801 -10.498 0.216 278 2HZ LYS 34 HZ2 LYS 34 -9.819 -11.384 -0.851 279 3HZ LYS 34 HZ3 LYS 34 -10.308 -9.807 -1.253 280 H GLN 35 HN GLN 35 -5.516 -5.629 -1.580 281 HA GLN 35 HA GLN 35 -3.190 -7.015 -2.577 282 1HB GLN 35 HB2 GLN 35 -5.040 -5.645 -3.809 283 2HB GLN 35 HB1 GLN 35 -4.106 -4.228 -3.340 284 1HG GLN 35 HG2 GLN 35 -2.140 -5.048 -4.492 285 2HG GLN 35 HG1 GLN 35 -2.939 -6.577 -4.854 286 1HE2 GLN 35 HE21 GLN 35 -1.881 -4.735 -6.863 287 2HE2 GLN 35 HE22 GLN 35 -3.196 -4.204 -7.795 288 H LEU 36 HN LEU 36 -3.751 -3.914 -1.006 289 HA LEU 36 HA LEU 36 -1.098 -2.867 -1.008 290 1HB LEU 36 HB2 LEU 36 -3.018 -1.508 -0.536 291 2HB LEU 36 HB1 LEU 36 -3.525 -2.568 0.765 292 HG LEU 36 HG LEU 36 -1.716 -1.857 2.163 293 1HD1 LEU 36 HD11 LEU 36 -0.156 -0.016 1.290 294 2HD1 LEU 36 HD12 LEU 36 -0.737 -0.428 -0.323 295 3HD1 LEU 36 HD13 LEU 36 0.124 -1.631 0.639 296 1HD2 LEU 36 HD21 LEU 36 -3.409 -0.304 2.454 297 2HD2 LEU 36 HD22 LEU 36 -3.316 0.261 0.786 298 3HD2 LEU 36 HD23 LEU 36 -2.090 0.755 1.952 299 H LEU 37 HN LEU 37 -2.806 -4.850 1.453 300 HA LEU 37 HA LEU 37 -0.678 -5.000 3.335 301 1HB LEU 37 HB2 LEU 37 -2.952 -6.824 2.611 302 2HB LEU 37 HB1 LEU 37 -1.897 -7.144 3.984 303 HG LEU 37 HG LEU 37 -3.402 -4.541 3.589 304 1HD1 LEU 37 HD11 LEU 37 -4.655 -5.629 5.674 305 2HD1 LEU 37 HD12 LEU 37 -4.176 -7.128 4.877 306 3HD1 LEU 37 HD13 LEU 37 -5.181 -5.957 4.022 307 1HD2 LEU 37 HD21 LEU 37 -2.892 -4.434 6.107 308 2HD2 LEU 37 HD22 LEU 37 -1.522 -4.210 5.019 309 3HD2 LEU 37 HD23 LEU 37 -1.765 -5.761 5.822 310 H SER 38 HN SER 38 -1.414 -6.945 0.472 311 HA SER 38 HA SER 38 0.559 -8.985 0.788 312 1HB SER 38 HB2 SER 38 -1.296 -8.975 -0.867 313 2HB SER 38 HB1 SER 38 -0.511 -7.654 -1.726 314 HG SER 38 HG SER 38 0.019 -9.652 -2.657 315 H LEU 39 HN LEU 39 0.771 -5.673 -0.483 316 HA LEU 39 HA LEU 39 3.370 -5.810 -1.663 317 1HB LEU 39 HB2 LEU 39 1.959 -3.532 -0.224 318 2HB LEU 39 HB1 LEU 39 3.322 -3.346 -1.326 319 HG LEU 39 HG LEU 39 0.634 -4.538 -2.066 320 1HD1 LEU 39 HD11 LEU 39 1.201 -1.880 -1.685 321 2HD1 LEU 39 HD12 LEU 39 -0.044 -2.501 -2.765 322 3HD1 LEU 39 HD13 LEU 39 1.545 -2.084 -3.403 323 1HD2 LEU 39 HD21 LEU 39 3.208 -4.090 -3.569 324 2HD2 LEU 39 HD22 LEU 39 1.664 -4.149 -4.419 325 3HD2 LEU 39 HD23 LEU 39 2.215 -5.548 -3.497 326 H LYS 40 HN LYS 40 2.395 -4.874 1.659 327 HA LYS 40 HA LYS 40 5.029 -4.486 2.738 328 1HB LYS 40 HB2 LYS 40 2.400 -5.401 3.949 329 2HB LYS 40 HB1 LYS 40 3.800 -4.942 4.903 330 1HG LYS 40 HG2 LYS 40 3.766 -2.699 3.893 331 2HG LYS 40 HG1 LYS 40 2.360 -3.152 2.927 332 1HD LYS 40 HD2 LYS 40 1.133 -3.660 5.052 333 2HD LYS 40 HD1 LYS 40 2.516 -3.036 5.952 334 1HE LYS 40 HE2 LYS 40 2.244 -0.831 4.897 335 2HE LYS 40 HE1 LYS 40 0.887 -1.452 3.934 336 1HZ LYS 40 HZ1 LYS 40 0.138 -0.377 6.000 337 2HZ LYS 40 HZ2 LYS 40 1.027 -1.508 6.902 338 3HZ LYS 40 HZ3 LYS 40 -0.282 -2.019 5.944 339 H ALA 41 HN ALA 41 2.934 -7.322 2.464 340 HA ALA 41 HA ALA 41 4.450 -9.196 3.968 341 1HB ALA 41 HB1 ALA 41 2.969 -10.738 3.014 342 2HB ALA 41 HB2 ALA 41 2.985 -9.929 1.448 343 3HB ALA 41 HB3 ALA 41 2.086 -9.228 2.793 344 H GLU 42 HN GLU 42 4.623 -8.387 0.469 345 HA GLU 42 HA GLU 42 6.591 -10.326 -0.259 346 1HB GLU 42 HB2 GLU 42 5.948 -7.534 -1.266 347 2HB GLU 42 HB1 GLU 42 7.011 -8.656 -2.120 348 1HG GLU 42 HG2 GLU 42 4.163 -9.330 -1.339 349 2HG GLU 42 HG1 GLU 42 4.607 -8.674 -2.914 350 H TYR 43 HN TYR 43 7.003 -6.900 0.689 351 HA TYR 43 HA TYR 43 9.879 -6.912 0.726 352 1HB TYR 43 HB2 TYR 43 7.772 -5.101 1.054 353 2HB TYR 43 HB1 TYR 43 8.563 -5.103 2.630 354 HD1 TYR 43 HD1 TYR 43 11.394 -5.580 1.939 355 HD2 TYR 43 HD2 TYR 43 8.453 -3.134 -0.022 356 HE1 TYR 43 HE1 TYR 43 13.197 -4.149 1.017 357 HE2 TYR 43 HE2 TYR 43 10.259 -1.705 -0.941 358 HH TYR 43 HH TYR 43 12.624 -1.126 -0.359 359 H LYS 44 HN LYS 44 7.420 -7.568 3.162 360 HA LYS 44 HA LYS 44 9.023 -7.715 5.495 361 1HB LYS 44 HB2 LYS 44 6.566 -7.644 5.415 362 2HB LYS 44 HB1 LYS 44 6.532 -9.245 4.680 363 1HG LYS 44 HG2 LYS 44 7.593 -10.196 6.698 364 2HG LYS 44 HG1 LYS 44 7.624 -8.593 7.437 365 1HD LYS 44 HD2 LYS 44 5.151 -8.484 7.266 366 2HD LYS 44 HD1 LYS 44 5.140 -10.108 6.579 367 1HE LYS 44 HE2 LYS 44 4.848 -10.717 8.783 368 2HE LYS 44 HE1 LYS 44 6.614 -10.540 8.837 369 1HZ LYS 44 HZ1 LYS 44 6.409 -8.295 9.529 370 2HZ LYS 44 HZ2 LYS 44 5.383 -9.200 10.537 371 3HZ LYS 44 HZ3 LYS 44 4.735 -8.283 9.261 372 H GLU 45 HN GLU 45 8.285 -10.251 3.094 373 HA GLU 45 HA GLU 45 9.266 -12.507 4.450 374 1HB GLU 45 HB2 GLU 45 9.229 -11.687 1.545 375 2HB GLU 45 HB1 GLU 45 9.744 -13.294 2.053 376 1HG GLU 45 HG2 GLU 45 7.084 -12.071 2.830 377 2HG GLU 45 HG1 GLU 45 7.298 -13.137 1.442 378 H LYS 46 HN LYS 46 11.172 -10.113 2.568 379 HA LYS 46 HA LYS 46 13.647 -11.543 2.594 380 1HB LYS 46 HB2 LYS 46 12.928 -8.604 2.527 381 2HB LYS 46 HB1 LYS 46 14.574 -9.190 2.296 382 1HG LYS 46 HG2 LYS 46 13.934 -10.452 0.348 383 2HG LYS 46 HG1 LYS 46 12.223 -10.135 0.639 384 1HD LYS 46 HD2 LYS 46 12.904 -8.598 -1.068 385 2HD LYS 46 HD1 LYS 46 12.773 -7.657 0.419 386 1HE LYS 46 HE2 LYS 46 15.212 -7.837 0.767 387 2HE LYS 46 HE1 LYS 46 15.353 -8.792 -0.723 388 1HZ LYS 46 HZ1 LYS 46 14.215 -6.053 -0.526 389 2HZ LYS 46 HZ2 LYS 46 14.329 -6.978 -1.947 390 3HZ LYS 46 HZ3 LYS 46 15.738 -6.439 -1.164 391 H THR 47 HN THR 47 12.744 -8.782 4.728 392 HA THR 47 HA THR 47 14.038 -10.117 7.032 393 HB THR 47 HB THR 47 15.036 -7.431 6.078 394 HG1 THR 47 HG1 THR 47 16.047 -10.008 5.493 395 1HG2 THR 47 HG21 THR 47 16.004 -7.560 8.114 396 2HG2 THR 47 HG22 THR 47 17.062 -8.769 7.387 397 3HG2 THR 47 HG23 THR 47 15.627 -9.275 8.278 398 H GLY 48 HN GLY 48 11.365 -8.790 6.170 399 1HA GLY 48 HA2 GLY 48 9.679 -7.622 7.333 400 2HA GLY 48 HA1 GLY 48 10.754 -7.585 8.729 401 H GLN 49 HN GLN 49 10.635 -6.125 5.450 402 HA GLN 49 HA GLN 49 12.071 -3.752 6.397 403 1HB GLN 49 HB2 GLN 49 10.823 -4.634 3.791 404 2HB GLN 49 HB1 GLN 49 11.645 -3.085 3.975 405 1HG GLN 49 HG2 GLN 49 12.902 -5.779 4.574 406 2HG GLN 49 HG1 GLN 49 13.150 -4.867 3.085 407 1HE2 GLN 49 HE21 GLN 49 14.829 -5.532 5.748 408 2HE2 GLN 49 HE22 GLN 49 15.600 -4.051 6.043 409 H GLU 50 HN GLU 50 8.741 -4.471 5.308 410 HA GLU 50 HA GLU 50 6.835 -3.046 5.177 411 1HB GLU 50 HB2 GLU 50 6.243 -2.414 7.549 412 2HB GLU 50 HB1 GLU 50 6.724 -4.092 7.321 413 1HG GLU 50 HG2 GLU 50 8.913 -3.672 8.238 414 2HG GLU 50 HG1 GLU 50 8.632 -1.935 8.271 415 H TYR 51 HN TYR 51 7.421 -1.298 3.797 416 HA TYR 51 HA TYR 51 9.071 0.889 4.331 417 1HB TYR 51 HB2 TYR 51 7.794 1.991 2.554 418 2HB TYR 51 HB1 TYR 51 8.004 0.284 2.174 419 HD1 TYR 51 HD1 TYR 51 5.625 2.908 3.094 420 HD2 TYR 51 HD2 TYR 51 6.102 -1.294 2.347 421 HE1 TYR 51 HE1 TYR 51 3.166 2.662 2.915 422 HE2 TYR 51 HE2 TYR 51 3.642 -1.541 2.170 423 HH TYR 51 HH TYR 51 1.592 0.878 1.640 424 H LYS 52 HN LYS 52 8.658 3.058 5.074 425 HA LYS 52 HA LYS 52 7.245 3.269 7.530 426 1HB LYS 52 HB2 LYS 52 8.223 5.335 5.533 427 2HB LYS 52 HB1 LYS 52 7.686 5.734 7.166 428 1HG LYS 52 HG2 LYS 52 9.409 4.276 8.120 429 2HG LYS 52 HG1 LYS 52 9.922 3.793 6.504 430 1HD LYS 52 HD2 LYS 52 10.665 6.027 5.989 431 2HD LYS 52 HD1 LYS 52 9.948 6.663 7.471 432 1HE LYS 52 HE2 LYS 52 11.500 5.121 8.769 433 2HE LYS 52 HE1 LYS 52 12.329 4.798 7.233 434 1HZ LYS 52 HZ1 LYS 52 12.766 7.098 6.939 435 2HZ LYS 52 HZ2 LYS 52 13.250 6.715 8.522 436 3HZ LYS 52 HZ3 LYS 52 11.785 7.531 8.253 437 HA PRO 53 HA PRO 53 3.115 3.982 6.249 438 1HB PRO 53 HB2 PRO 53 2.145 5.478 8.310 439 2HB PRO 53 HB1 PRO 53 2.497 3.745 8.446 440 1HG PRO 53 HG2 PRO 53 4.075 6.073 9.396 441 2HG PRO 53 HG1 PRO 53 3.853 4.481 10.135 442 1HD PRO 53 HD2 PRO 53 6.092 5.253 8.736 443 2HD PRO 53 HD1 PRO 53 5.583 3.566 8.973 444 H GLY 54 HN GLY 54 5.238 6.702 6.755 445 1HA GLY 54 HA2 GLY 54 3.291 8.682 5.759 446 2HA GLY 54 HA1 GLY 54 4.967 8.987 6.177 447 H ASN 55 HN ASN 55 3.993 6.439 3.891 448 HA ASN 55 HA ASN 55 4.531 6.170 1.611 449 1HB ASN 55 HB2 ASN 55 3.405 8.817 2.113 450 2HB ASN 55 HB1 ASN 55 4.451 8.829 0.695 451 1HD2 ASN 55 HD21 ASN 55 1.282 8.435 1.493 452 2HD2 ASN 55 HD22 ASN 55 0.797 7.359 0.267 453 HA PRO 56 HA PRO 56 8.760 7.082 0.801 454 1HB PRO 56 HB2 PRO 56 8.880 7.958 -1.797 455 2HB PRO 56 HB1 PRO 56 8.610 6.263 -1.347 456 1HG PRO 56 HG2 PRO 56 6.653 8.327 -2.214 457 2HG PRO 56 HG1 PRO 56 6.715 6.599 -2.592 458 1HD PRO 56 HD2 PRO 56 5.022 7.661 -0.762 459 2HD PRO 56 HD1 PRO 56 5.646 6.004 -0.659 460 HA PRO 57 HA PRO 57 9.406 11.386 1.553 461 1HB PRO 57 HB2 PRO 57 12.112 11.548 1.186 462 2HB PRO 57 HB1 PRO 57 11.374 10.806 2.619 463 1HG PRO 57 HG2 PRO 57 12.526 9.514 0.200 464 2HG PRO 57 HG1 PRO 57 12.615 9.018 1.897 465 1HD PRO 57 HD2 PRO 57 10.922 7.884 0.084 466 2HD PRO 57 HD1 PRO 57 10.593 7.958 1.830 Start of MODEL 3 1 2H ASP 1 HN2 ASP 1 19.549 0.737 -4.455 2 H ASP 1 H ASP 1 19.095 2.319 -4.872 3 HA ASP 1 HA ASP 1 18.505 0.972 -2.285 4 1HB ASP 1 HB2 ASP 1 18.054 3.745 -3.425 5 2HB ASP 1 HB1 ASP 1 17.165 3.142 -2.026 6 H SER 2 HN SER 2 16.309 0.264 -2.154 7 HA SER 2 HA SER 2 15.066 -0.549 -4.644 8 1HB SER 2 HB2 SER 2 14.206 -0.547 -1.737 9 2HB SER 2 HB1 SER 2 13.265 -1.300 -3.022 10 HG SER 2 HG SER 2 14.554 -2.901 -2.323 11 H LEU 3 HN LEU 3 15.204 2.073 -5.120 12 HA LEU 3 HA LEU 3 13.123 3.770 -4.105 13 1HB LEU 3 HB2 LEU 3 15.175 4.508 -5.304 14 2HB LEU 3 HB1 LEU 3 14.585 3.751 -6.770 15 HG LEU 3 HG LEU 3 12.571 5.233 -6.674 16 1HD1 LEU 3 HD11 LEU 3 12.990 7.321 -5.177 17 2HD1 LEU 3 HD12 LEU 3 14.079 6.264 -4.277 18 3HD1 LEU 3 HD13 LEU 3 12.370 5.857 -4.415 19 1HD2 LEU 3 HD21 LEU 3 14.448 5.867 -8.091 20 2HD2 LEU 3 HD22 LEU 3 15.287 6.581 -6.714 21 3HD2 LEU 3 HD23 LEU 3 13.801 7.316 -7.320 22 H VAL 4 HN VAL 4 13.374 1.650 -6.919 23 HA VAL 4 HA VAL 4 10.899 2.233 -8.186 24 HB VAL 4 HB VAL 4 12.829 0.877 -9.043 25 1HG1 VAL 4 HG11 VAL 4 13.054 -0.500 -6.922 26 2HG1 VAL 4 HG12 VAL 4 13.122 -1.414 -8.427 27 3HG1 VAL 4 HG13 VAL 4 11.645 -1.412 -7.465 28 1HG2 VAL 4 HG21 VAL 4 10.086 -0.406 -9.119 29 2HG2 VAL 4 HG22 VAL 4 11.401 -0.810 -10.222 30 3HG2 VAL 4 HG23 VAL 4 10.708 0.812 -10.233 31 H LEU 5 HN LEU 5 11.651 -0.069 -5.595 32 HA LEU 5 HA LEU 5 9.108 -1.349 -5.369 33 1HB LEU 5 HB2 LEU 5 11.191 -2.121 -4.301 34 2HB LEU 5 HB1 LEU 5 11.215 -0.687 -3.275 35 HG LEU 5 HG LEU 5 8.710 -2.286 -3.217 36 1HD1 LEU 5 HD11 LEU 5 9.669 -3.940 -1.666 37 2HD1 LEU 5 HD12 LEU 5 11.273 -3.249 -1.908 38 3HD1 LEU 5 HD13 LEU 5 10.447 -4.052 -3.245 39 1HD2 LEU 5 HD21 LEU 5 9.356 -0.205 -1.817 40 2HD2 LEU 5 HD22 LEU 5 10.411 -1.295 -0.925 41 3HD2 LEU 5 HD23 LEU 5 8.671 -1.578 -0.953 42 H TYR 6 HN TYR 6 10.388 1.600 -3.878 43 HA TYR 6 HA TYR 6 8.261 2.177 -2.087 44 1HB TYR 6 HB2 TYR 6 10.474 3.279 -2.146 45 2HB TYR 6 HB1 TYR 6 10.063 4.020 -3.691 46 HD1 TYR 6 HD1 TYR 6 8.431 5.834 -3.836 47 HD2 TYR 6 HD2 TYR 6 9.422 4.024 -0.071 48 HE1 TYR 6 HE1 TYR 6 7.331 7.712 -2.645 49 HE2 TYR 6 HE2 TYR 6 8.326 5.900 1.124 50 HH TYR 6 HH TYR 6 6.544 7.601 0.634 51 H ASN 7 HN ASN 7 8.661 3.021 -5.528 52 HA ASN 7 HA ASN 7 6.358 4.702 -5.746 53 1HB ASN 7 HB2 ASN 7 7.877 2.955 -7.703 54 2HB ASN 7 HB1 ASN 7 6.626 4.099 -8.198 55 1HD2 ASN 7 HD21 ASN 7 9.483 4.350 -8.896 56 2HD2 ASN 7 HD22 ASN 7 10.030 5.794 -8.191 57 H ARG 8 HN ARG 8 6.738 1.158 -6.165 58 HA ARG 8 HA ARG 8 4.094 0.625 -7.105 59 1HB ARG 8 HB2 ARG 8 6.135 -1.004 -5.580 60 2HB ARG 8 HB1 ARG 8 4.640 -1.695 -6.209 61 1HG ARG 8 HG2 ARG 8 5.262 -0.926 -8.491 62 2HG ARG 8 HG1 ARG 8 6.779 -0.297 -7.847 63 1HD ARG 8 HD2 ARG 8 7.579 -2.482 -7.304 64 2HD ARG 8 HD1 ARG 8 5.972 -3.202 -7.529 65 HE ARG 8 HE ARG 8 6.272 -3.063 -9.894 66 1HH1 ARG 8 HH11 ARG 8 9.197 -3.540 -9.038 67 2HH1 ARG 8 HH12 ARG 8 10.008 -2.364 -10.017 68 1HH2 ARG 8 HH21 ARG 8 7.116 -0.623 -10.799 69 2HH2 ARG 8 HH22 ARG 8 8.832 -0.718 -11.014 70 H VAL 9 HN VAL 9 5.343 0.448 -3.718 71 HA VAL 9 HA VAL 9 2.825 -0.291 -2.562 72 HB VAL 9 HB VAL 9 3.934 0.328 -0.453 73 1HG1 VAL 9 HG11 VAL 9 5.145 -1.334 -2.536 74 2HG1 VAL 9 HG12 VAL 9 4.872 -1.687 -0.831 75 3HG1 VAL 9 HG13 VAL 9 6.314 -0.803 -1.326 76 1HG2 VAL 9 HG21 VAL 9 6.206 1.342 -0.514 77 2HG2 VAL 9 HG22 VAL 9 4.977 2.445 -1.125 78 3HG2 VAL 9 HG23 VAL 9 6.029 1.582 -2.247 79 H ALA 10 HN ALA 10 4.348 2.904 -3.018 80 HA ALA 10 HA ALA 10 2.382 4.489 -1.679 81 1HB ALA 10 HB1 ALA 10 3.446 6.314 -2.866 82 2HB ALA 10 HB2 ALA 10 4.064 5.209 -4.094 83 3HB ALA 10 HB3 ALA 10 4.692 5.137 -2.447 84 H VAL 11 HN VAL 11 2.592 3.449 -5.089 85 HA VAL 11 HA VAL 11 0.457 5.006 -6.137 86 HB VAL 11 HB VAL 11 1.584 2.283 -6.877 87 1HG1 VAL 11 HG11 VAL 11 -0.468 4.016 -8.228 88 2HG1 VAL 11 HG12 VAL 11 -0.436 2.261 -8.060 89 3HG1 VAL 11 HG13 VAL 11 0.644 3.058 -9.205 90 1HG2 VAL 11 HG21 VAL 11 3.109 3.431 -8.174 91 2HG2 VAL 11 HG22 VAL 11 2.876 4.617 -6.889 92 3HG2 VAL 11 HG23 VAL 11 2.025 4.800 -8.422 93 H GLN 12 HN GLN 12 0.318 1.639 -4.822 94 HA GLN 12 HA GLN 12 -2.483 1.280 -5.267 95 1HB GLN 12 HB2 GLN 12 -0.543 0.155 -3.224 96 2HB GLN 12 HB1 GLN 12 -2.191 -0.444 -3.423 97 1HG GLN 12 HG2 GLN 12 -0.108 -0.341 -5.626 98 2HG GLN 12 HG1 GLN 12 -0.560 -1.791 -4.731 99 1HE2 GLN 12 HE21 GLN 12 -3.309 -1.729 -4.646 100 2HE2 GLN 12 HE22 GLN 12 -3.966 -1.678 -6.211 101 H GLY 13 HN GLY 13 -0.740 2.395 -2.357 102 1HA GLY 13 HA2 GLY 13 -2.628 2.838 -0.448 103 2HA GLY 13 HA1 GLY 13 -1.390 4.062 -0.790 104 H ASP 14 HN ASP 14 -1.962 5.257 -2.969 105 HA ASP 14 HA ASP 14 -4.189 6.994 -2.439 106 1HB ASP 14 HB2 ASP 14 -2.446 6.426 -4.856 107 2HB ASP 14 HB1 ASP 14 -3.602 7.757 -4.804 108 H VAL 15 HN VAL 15 -3.824 4.220 -4.661 109 HA VAL 15 HA VAL 15 -6.258 4.549 -6.103 110 HB VAL 15 HB VAL 15 -4.689 2.077 -5.289 111 1HG1 VAL 15 HG11 VAL 15 -5.779 0.984 -7.214 112 2HG1 VAL 15 HG12 VAL 15 -6.753 2.430 -7.483 113 3HG1 VAL 15 HG13 VAL 15 -6.970 1.482 -6.013 114 1HG2 VAL 15 HG21 VAL 15 -3.689 4.068 -6.686 115 2HG2 VAL 15 HG22 VAL 15 -4.668 3.395 -7.989 116 3HG2 VAL 15 HG23 VAL 15 -3.421 2.410 -7.223 117 H VAL 16 HN VAL 16 -5.600 2.761 -3.060 118 HA VAL 16 HA VAL 16 -8.261 1.771 -2.633 119 HB VAL 16 HB VAL 16 -5.988 2.573 -0.778 120 1HG1 VAL 16 HG11 VAL 16 -8.083 2.586 0.501 121 2HG1 VAL 16 HG12 VAL 16 -7.122 1.172 0.934 122 3HG1 VAL 16 HG13 VAL 16 -8.506 1.001 -0.145 123 1HG2 VAL 16 HG21 VAL 16 -5.330 0.322 -0.884 124 2HG2 VAL 16 HG22 VAL 16 -5.842 0.652 -2.539 125 3HG2 VAL 16 HG23 VAL 16 -6.916 -0.213 -1.439 126 H ARG 17 HN ARG 17 -6.640 4.776 -1.631 127 HA ARG 17 HA ARG 17 -8.788 5.980 -0.197 128 1HB ARG 17 HB2 ARG 17 -6.347 6.929 -1.687 129 2HB ARG 17 HB1 ARG 17 -7.436 8.101 -0.957 130 1HG ARG 17 HG2 ARG 17 -7.232 6.750 1.202 131 2HG ARG 17 HG1 ARG 17 -5.908 5.887 0.423 132 1HD ARG 17 HD2 ARG 17 -5.897 8.905 0.503 133 2HD ARG 17 HD1 ARG 17 -5.314 7.964 1.889 134 HE ARG 17 HE ARG 17 -4.167 6.883 -0.493 135 1HH1 ARG 17 HH11 ARG 17 -4.088 10.082 -0.406 136 2HH1 ARG 17 HH12 ARG 17 -2.440 10.282 0.088 137 1HH2 ARG 17 HH21 ARG 17 -2.023 6.957 0.977 138 2HH2 ARG 17 HH22 ARG 17 -1.271 8.514 0.870 139 H GLU 18 HN GLU 18 -7.949 6.147 -3.673 140 HA GLU 18 HA GLU 18 -9.932 8.065 -4.427 141 1HB GLU 18 HB2 GLU 18 -8.476 5.864 -5.851 142 2HB GLU 18 HB1 GLU 18 -9.541 6.977 -6.701 143 1HG GLU 18 HG2 GLU 18 -8.212 8.880 -5.878 144 2HG GLU 18 HG1 GLU 18 -7.146 7.771 -5.016 145 H LEU 19 HN LEU 19 -10.042 4.498 -4.437 146 HA LEU 19 HA LEU 19 -12.637 4.201 -5.568 147 1HB LEU 19 HB2 LEU 19 -10.741 2.625 -3.931 148 2HB LEU 19 HB1 LEU 19 -12.397 2.030 -3.999 149 HG LEU 19 HG LEU 19 -10.900 1.063 -5.770 150 1HD1 LEU 19 HD11 LEU 19 -13.458 2.461 -6.188 151 2HD1 LEU 19 HD12 LEU 19 -13.000 0.801 -6.566 152 3HD1 LEU 19 HD13 LEU 19 -12.577 2.105 -7.674 153 1HD2 LEU 19 HD21 LEU 19 -11.042 3.722 -7.180 154 2HD2 LEU 19 HD22 LEU 19 -9.959 2.363 -7.481 155 3HD2 LEU 19 HD23 LEU 19 -9.716 3.387 -6.070 156 H LYS 20 HN LYS 20 -11.642 4.523 -2.169 157 HA LYS 20 HA LYS 20 -14.223 4.143 -1.012 158 1HB LYS 20 HB2 LYS 20 -11.836 4.166 0.023 159 2HB LYS 20 HB1 LYS 20 -12.046 5.916 0.105 160 1HG LYS 20 HG2 LYS 20 -12.765 5.006 2.220 161 2HG LYS 20 HG1 LYS 20 -14.216 5.502 1.342 162 1HD LYS 20 HD2 LYS 20 -14.687 3.242 0.672 163 2HD LYS 20 HD1 LYS 20 -13.114 2.684 1.238 164 1HE LYS 20 HE2 LYS 20 -13.725 3.019 3.538 165 2HE LYS 20 HE1 LYS 20 -15.205 3.887 3.077 166 1HZ LYS 20 HZ1 LYS 20 -15.904 1.876 1.863 167 2HZ LYS 20 HZ2 LYS 20 -15.757 1.604 3.534 168 3HZ LYS 20 HZ3 LYS 20 -14.552 1.052 2.471 169 H ALA 21 HN ALA 21 -12.484 6.997 -2.151 170 HA ALA 21 HA ALA 21 -14.377 9.003 -1.364 171 1HB ALA 21 HB1 ALA 21 -12.399 9.930 -2.113 172 2HB ALA 21 HB2 ALA 21 -13.267 9.972 -3.649 173 3HB ALA 21 HB3 ALA 21 -12.143 8.656 -3.306 174 H LYS 22 HN LYS 22 -14.305 6.624 -3.942 175 HA LYS 22 HA LYS 22 -16.476 7.877 -5.490 176 1HB LYS 22 HB2 LYS 22 -14.939 5.271 -5.619 177 2HB LYS 22 HB1 LYS 22 -16.202 5.696 -6.771 178 1HG LYS 22 HG2 LYS 22 -14.981 7.752 -7.363 179 2HG LYS 22 HG1 LYS 22 -13.715 7.332 -6.211 180 1HD LYS 22 HD2 LYS 22 -13.246 5.264 -7.464 181 2HD LYS 22 HD1 LYS 22 -14.516 5.673 -8.620 182 1HE LYS 22 HE2 LYS 22 -12.211 7.559 -8.060 183 2HE LYS 22 HE1 LYS 22 -12.127 6.313 -9.321 184 1HZ LYS 22 HZ1 LYS 22 -14.068 8.539 -9.078 185 2HZ LYS 22 HZ2 LYS 22 -14.374 7.187 -10.062 186 3HZ LYS 22 HZ3 LYS 22 -13.040 8.188 -10.379 187 H LYS 23 HN LYS 23 -16.568 6.423 -2.540 188 HA LYS 23 HA LYS 23 -18.255 5.349 -1.301 189 1HB LYS 23 HB2 LYS 23 -19.862 6.141 -3.738 190 2HB LYS 23 HB1 LYS 23 -20.545 5.662 -2.189 191 1HG LYS 23 HG2 LYS 23 -18.631 7.985 -2.512 192 2HG LYS 23 HG1 LYS 23 -20.386 8.164 -2.533 193 1HD LYS 23 HD2 LYS 23 -20.559 7.256 -0.286 194 2HD LYS 23 HD1 LYS 23 -18.831 6.903 -0.256 195 1HE LYS 23 HE2 LYS 23 -18.900 8.957 0.872 196 2HE LYS 23 HE1 LYS 23 -18.620 9.494 -0.797 197 1HZ LYS 23 HZ1 LYS 23 -20.965 9.748 -1.124 198 2HZ LYS 23 HZ2 LYS 23 -20.532 10.618 0.270 199 3HZ LYS 23 HZ3 LYS 23 -21.307 9.113 0.411 200 H ALA 24 HN ALA 24 -16.720 3.923 -3.578 201 HA ALA 24 HA ALA 24 -18.353 1.901 -4.741 202 1HB ALA 24 HB1 ALA 24 -16.242 0.821 -5.175 203 2HB ALA 24 HB2 ALA 24 -15.482 1.624 -3.802 204 3HB ALA 24 HB3 ALA 24 -15.937 2.557 -5.228 205 HA PRO 25 HA PRO 25 -19.299 -0.764 -1.371 206 1HB PRO 25 HB2 PRO 25 -19.009 -3.266 -2.441 207 2HB PRO 25 HB1 PRO 25 -20.366 -2.192 -2.837 208 1HG PRO 25 HG2 PRO 25 -17.879 -2.748 -4.379 209 2HG PRO 25 HG1 PRO 25 -19.540 -2.536 -4.956 210 1HD PRO 25 HD2 PRO 25 -17.654 -0.589 -5.120 211 2HD PRO 25 HD1 PRO 25 -19.391 -0.247 -4.949 212 H LYS 26 HN LYS 26 -18.397 -2.495 0.058 213 HA LYS 26 HA LYS 26 -15.715 -2.052 0.835 214 1HB LYS 26 HB2 LYS 26 -17.648 -4.346 1.261 215 2HB LYS 26 HB1 LYS 26 -16.109 -4.218 2.119 216 1HG LYS 26 HG2 LYS 26 -16.775 -2.009 2.992 217 2HG LYS 26 HG1 LYS 26 -18.313 -2.134 2.139 218 1HD LYS 26 HD2 LYS 26 -18.874 -4.154 3.441 219 2HD LYS 26 HD1 LYS 26 -17.337 -4.030 4.297 220 1HE LYS 26 HE2 LYS 26 -18.709 -1.481 4.427 221 2HE LYS 26 HE1 LYS 26 -19.778 -2.773 5.006 222 1HZ LYS 26 HZ1 LYS 26 -16.930 -2.629 5.809 223 2HZ LYS 26 HZ2 LYS 26 -18.190 -3.506 6.538 224 3HZ LYS 26 HZ3 LYS 26 -18.138 -1.814 6.676 225 H GLU 27 HN GLU 27 -17.011 -4.259 -1.566 226 HA GLU 27 HA GLU 27 -14.865 -6.114 -1.771 227 1HB GLU 27 HB2 GLU 27 -16.844 -4.969 -3.752 228 2HB GLU 27 HB1 GLU 27 -15.755 -6.297 -4.160 229 1HG GLU 27 HG2 GLU 27 -16.672 -7.670 -2.384 230 2HG GLU 27 HG1 GLU 27 -17.655 -6.329 -1.802 231 H ASP 28 HN ASP 28 -15.302 -2.912 -3.291 232 HA ASP 28 HA ASP 28 -12.896 -3.053 -4.910 233 1HB ASP 28 HB2 ASP 28 -14.823 -0.930 -3.986 234 2HB ASP 28 HB1 ASP 28 -13.373 -0.481 -4.891 235 H VAL 29 HN VAL 29 -13.661 -1.444 -1.800 236 HA VAL 29 HA VAL 29 -11.068 -0.284 -1.396 237 HB VAL 29 HB VAL 29 -13.226 -1.198 0.543 238 1HG1 VAL 29 HG11 VAL 29 -11.277 -0.850 1.863 239 2HG1 VAL 29 HG12 VAL 29 -12.172 0.666 1.974 240 3HG1 VAL 29 HG13 VAL 29 -10.778 0.541 0.900 241 1HG2 VAL 29 HG21 VAL 29 -14.110 1.010 0.358 242 2HG2 VAL 29 HG22 VAL 29 -13.791 0.496 -1.299 243 3HG2 VAL 29 HG23 VAL 29 -12.675 1.593 -0.486 244 H ASP 30 HN ASP 30 -12.506 -3.303 -0.130 245 HA ASP 30 HA ASP 30 -10.232 -4.253 1.292 246 1HB ASP 30 HB2 ASP 30 -12.554 -5.610 -0.101 247 2HB ASP 30 HB1 ASP 30 -11.416 -6.483 0.927 248 H ALA 31 HN ALA 31 -11.241 -4.883 -2.086 249 HA ALA 31 HA ALA 31 -9.169 -6.711 -2.764 250 1HB ALA 31 HB1 ALA 31 -11.265 -6.170 -4.047 251 2HB ALA 31 HB2 ALA 31 -9.815 -6.176 -5.051 252 3HB ALA 31 HB3 ALA 31 -10.521 -4.646 -4.530 253 H ALA 32 HN ALA 32 -9.314 -3.174 -3.253 254 HA ALA 32 HA ALA 32 -6.681 -2.908 -4.367 255 1HB ALA 32 HB1 ALA 32 -7.050 -0.535 -3.929 256 2HB ALA 32 HB2 ALA 32 -8.278 -0.911 -2.721 257 3HB ALA 32 HB3 ALA 32 -8.583 -1.250 -4.424 258 H VAL 33 HN VAL 33 -7.849 -2.530 -0.997 259 HA VAL 33 HA VAL 33 -5.245 -1.927 0.102 260 HB VAL 33 HB VAL 33 -7.815 -1.773 0.947 261 1HG1 VAL 33 HG11 VAL 33 -8.245 -4.104 1.377 262 2HG1 VAL 33 HG12 VAL 33 -8.060 -3.309 2.936 263 3HG1 VAL 33 HG13 VAL 33 -6.740 -4.274 2.284 264 1HG2 VAL 33 HG21 VAL 33 -5.487 -0.907 1.857 265 2HG2 VAL 33 HG22 VAL 33 -5.756 -2.149 3.080 266 3HG2 VAL 33 HG23 VAL 33 -6.931 -0.851 2.868 267 H LYS 34 HN LYS 34 -7.012 -4.932 -0.554 268 HA LYS 34 HA LYS 34 -5.281 -6.776 0.799 269 1HB LYS 34 HB2 LYS 34 -7.511 -7.302 -0.161 270 2HB LYS 34 HB1 LYS 34 -6.871 -7.043 -1.784 271 1HG LYS 34 HG2 LYS 34 -6.855 -9.423 -1.362 272 2HG LYS 34 HG1 LYS 34 -5.183 -8.861 -1.319 273 1HD LYS 34 HD2 LYS 34 -5.173 -8.845 1.093 274 2HD LYS 34 HD1 LYS 34 -6.908 -9.150 1.154 275 1HE LYS 34 HE2 LYS 34 -6.640 -11.385 0.310 276 2HE LYS 34 HE1 LYS 34 -4.941 -11.086 -0.110 277 1HZ LYS 34 HZ1 LYS 34 -6.072 -10.906 2.633 278 2HZ LYS 34 HZ2 LYS 34 -4.442 -10.696 2.201 279 3HZ LYS 34 HZ3 LYS 34 -5.176 -12.220 2.045 280 H GLN 35 HN GLN 35 -5.234 -5.409 -2.486 281 HA GLN 35 HA GLN 35 -2.866 -6.745 -3.449 282 1HB GLN 35 HB2 GLN 35 -4.809 -5.154 -4.508 283 2HB GLN 35 HB1 GLN 35 -3.542 -3.951 -4.284 284 1HG GLN 35 HG2 GLN 35 -3.178 -6.567 -5.772 285 2HG GLN 35 HG1 GLN 35 -3.436 -4.998 -6.534 286 1HE2 GLN 35 HE21 GLN 35 -0.989 -7.014 -6.194 287 2HE2 GLN 35 HE22 GLN 35 0.291 -5.957 -5.840 288 H LEU 36 HN LEU 36 -3.449 -3.576 -2.000 289 HA LEU 36 HA LEU 36 -0.776 -2.598 -1.915 290 1HB LEU 36 HB2 LEU 36 -2.573 -1.106 -1.606 291 2HB LEU 36 HB1 LEU 36 -3.356 -2.143 -0.428 292 HG LEU 36 HG LEU 36 -1.681 -1.589 1.240 293 1HD1 LEU 36 HD11 LEU 36 0.379 -1.229 0.252 294 2HD1 LEU 36 HD12 LEU 36 -0.132 0.450 0.420 295 3HD1 LEU 36 HD13 LEU 36 -0.319 -0.378 -1.126 296 1HD2 LEU 36 HD21 LEU 36 -1.990 1.060 1.047 297 2HD2 LEU 36 HD22 LEU 36 -3.340 -0.005 1.443 298 3HD2 LEU 36 HD23 LEU 36 -3.131 0.577 -0.209 299 H LEU 37 HN LEU 37 -2.621 -4.560 0.428 300 HA LEU 37 HA LEU 37 -0.721 -4.575 2.543 301 1HB LEU 37 HB2 LEU 37 -2.961 -6.279 1.600 302 2HB LEU 37 HB1 LEU 37 -1.910 -6.936 2.854 303 HG LEU 37 HG LEU 37 -3.008 -4.142 3.103 304 1HD1 LEU 37 HD11 LEU 37 -4.809 -5.281 4.560 305 2HD1 LEU 37 HD12 LEU 37 -4.406 -6.757 3.683 306 3HD1 LEU 37 HD13 LEU 37 -5.028 -5.357 2.812 307 1HD2 LEU 37 HD21 LEU 37 -2.754 -4.697 5.521 308 2HD2 LEU 37 HD22 LEU 37 -1.233 -4.854 4.643 309 3HD2 LEU 37 HD23 LEU 37 -2.157 -6.294 5.070 310 H SER 38 HN SER 38 -0.980 -6.580 -0.375 311 HA SER 38 HA SER 38 1.037 -8.511 0.253 312 1HB SER 38 HB2 SER 38 0.221 -7.271 -2.398 313 2HB SER 38 HB1 SER 38 1.110 -8.780 -2.216 314 HG SER 38 HG SER 38 -0.661 -9.755 -1.545 315 H LEU 39 HN LEU 39 1.229 -5.276 -1.218 316 HA LEU 39 HA LEU 39 4.037 -5.293 -1.833 317 1HB LEU 39 HB2 LEU 39 2.201 -2.995 -1.064 318 2HB LEU 39 HB1 LEU 39 3.710 -2.854 -1.961 319 HG LEU 39 HG LEU 39 1.175 -4.249 -2.888 320 1HD1 LEU 39 HD11 LEU 39 1.306 -2.524 -4.690 321 2HD1 LEU 39 HD12 LEU 39 2.658 -1.786 -3.834 322 3HD1 LEU 39 HD13 LEU 39 1.061 -1.835 -3.085 323 1HD2 LEU 39 HD21 LEU 39 3.989 -4.217 -3.974 324 2HD2 LEU 39 HD22 LEU 39 2.621 -4.339 -5.080 325 3HD2 LEU 39 HD23 LEU 39 2.871 -5.573 -3.846 326 H LYS 40 HN LYS 40 2.276 -3.851 0.913 327 HA LYS 40 HA LYS 40 4.557 -3.149 2.492 328 1HB LYS 40 HB2 LYS 40 2.245 -2.310 2.810 329 2HB LYS 40 HB1 LYS 40 1.730 -3.926 3.286 330 1HG LYS 40 HG2 LYS 40 3.055 -3.880 5.266 331 2HG LYS 40 HG1 LYS 40 3.925 -2.440 4.733 332 1HD LYS 40 HD2 LYS 40 2.329 -1.638 6.304 333 2HD LYS 40 HD1 LYS 40 1.641 -1.263 4.724 334 1HE LYS 40 HE2 LYS 40 0.145 -3.152 4.833 335 2HE LYS 40 HE1 LYS 40 0.960 -3.782 6.279 336 1HZ LYS 40 HZ1 LYS 40 0.438 -1.593 7.347 337 2HZ LYS 40 HZ2 LYS 40 -0.916 -2.570 7.035 338 3HZ LYS 40 HZ3 LYS 40 -0.567 -1.249 6.025 339 H ALA 41 HN ALA 41 2.680 -6.118 2.184 340 HA ALA 41 HA ALA 41 3.645 -7.560 4.430 341 1HB ALA 41 HB1 ALA 41 3.166 -9.508 2.653 342 2HB ALA 41 HB2 ALA 41 2.458 -8.165 1.757 343 3HB ALA 41 HB3 ALA 41 1.857 -8.565 3.366 344 H GLU 42 HN GLU 42 5.025 -7.204 1.141 345 HA GLU 42 HA GLU 42 7.172 -9.110 1.528 346 1HB GLU 42 HB2 GLU 42 6.732 -6.715 -0.283 347 2HB GLU 42 HB1 GLU 42 8.129 -7.783 -0.436 348 1HG GLU 42 HG2 GLU 42 6.645 -9.708 -0.785 349 2HG GLU 42 HG1 GLU 42 5.232 -8.671 -0.584 350 H TYR 43 HN TYR 43 6.913 -5.591 2.006 351 HA TYR 43 HA TYR 43 9.632 -5.040 2.647 352 1HB TYR 43 HB2 TYR 43 7.458 -3.572 2.251 353 2HB TYR 43 HB1 TYR 43 7.365 -3.634 4.013 354 HD1 TYR 43 HD1 TYR 43 9.301 -2.446 1.122 355 HD2 TYR 43 HD2 TYR 43 9.118 -2.625 5.408 356 HE1 TYR 43 HE1 TYR 43 11.054 -0.699 1.270 357 HE2 TYR 43 HE2 TYR 43 10.866 -0.873 5.557 358 HH TYR 43 HH TYR 43 12.902 -0.133 3.504 359 H LYS 44 HN LYS 44 6.911 -5.883 4.830 360 HA LYS 44 HA LYS 44 8.343 -5.661 7.278 361 1HB LYS 44 HB2 LYS 44 6.465 -6.876 8.207 362 2HB LYS 44 HB1 LYS 44 5.868 -5.806 6.947 363 1HG LYS 44 HG2 LYS 44 5.189 -7.530 5.630 364 2HG LYS 44 HG1 LYS 44 6.598 -8.515 5.997 365 1HD LYS 44 HD2 LYS 44 5.646 -9.397 7.937 366 2HD LYS 44 HD1 LYS 44 4.540 -8.038 8.129 367 1HE LYS 44 HE2 LYS 44 3.974 -9.307 5.606 368 2HE LYS 44 HE1 LYS 44 3.998 -10.544 6.879 369 1HZ LYS 44 HZ1 LYS 44 2.595 -7.934 7.105 370 2HZ LYS 44 HZ2 LYS 44 2.547 -9.215 8.220 371 3HZ LYS 44 HZ3 LYS 44 1.831 -9.390 6.689 372 H GLU 45 HN GLU 45 8.536 -8.136 4.853 373 HA GLU 45 HA GLU 45 9.245 -10.410 6.401 374 1HB GLU 45 HB2 GLU 45 10.048 -9.426 3.649 375 2HB GLU 45 HB1 GLU 45 10.464 -11.031 4.248 376 1HG GLU 45 HG2 GLU 45 8.083 -11.535 4.591 377 2HG GLU 45 HG1 GLU 45 7.651 -9.922 4.028 378 H LYS 46 HN LYS 46 11.269 -7.740 5.194 379 HA LYS 46 HA LYS 46 13.808 -8.814 5.959 380 1HB LYS 46 HB2 LYS 46 12.706 -6.015 5.607 381 2HB LYS 46 HB1 LYS 46 14.423 -6.342 5.855 382 1HG LYS 46 HG2 LYS 46 14.432 -7.813 3.874 383 2HG LYS 46 HG1 LYS 46 12.718 -7.486 3.621 384 1HD LYS 46 HD2 LYS 46 13.214 -5.087 3.334 385 2HD LYS 46 HD1 LYS 46 14.931 -5.412 3.584 386 1HE LYS 46 HE2 LYS 46 14.965 -6.863 1.589 387 2HE LYS 46 HE1 LYS 46 13.232 -6.566 1.340 388 1HZ LYS 46 HZ1 LYS 46 13.771 -4.149 1.363 389 2HZ LYS 46 HZ2 LYS 46 14.415 -4.986 0.032 390 3HZ LYS 46 HZ3 LYS 46 15.418 -4.556 1.334 391 H THR 47 HN THR 47 11.867 -6.318 7.695 392 HA THR 47 HA THR 47 12.726 -7.479 10.292 393 HB THR 47 HB THR 47 13.296 -4.615 9.460 394 HG1 THR 47 HG1 THR 47 15.353 -5.261 9.180 395 1HG2 THR 47 HG21 THR 47 14.844 -5.027 11.605 396 2HG2 THR 47 HG22 THR 47 13.552 -6.162 11.997 397 3HG2 THR 47 HG23 THR 47 13.184 -4.457 11.754 398 H GLY 48 HN GLY 48 10.168 -6.701 8.619 399 1HA GLY 48 HA2 GLY 48 7.980 -6.088 9.215 400 2HA GLY 48 HA1 GLY 48 8.530 -5.986 10.889 401 H GLN 49 HN GLN 49 9.813 -4.188 8.115 402 HA GLN 49 HA GLN 49 9.472 -1.668 9.609 403 1HB GLN 49 HB2 GLN 49 10.778 -2.456 6.993 404 2HB GLN 49 HB1 GLN 49 10.856 -0.835 7.687 405 1HG GLN 49 HG2 GLN 49 11.734 -3.328 9.164 406 2HG GLN 49 HG1 GLN 49 12.837 -2.296 8.252 407 1HE2 GLN 49 HE21 GLN 49 12.185 -2.831 11.334 408 2HE2 GLN 49 HE22 GLN 49 12.219 -1.262 11.975 409 H GLU 50 HN GLU 50 7.784 -3.364 7.112 410 HA GLU 50 HA GLU 50 6.152 -2.735 5.531 411 1HB GLU 50 HB2 GLU 50 4.279 -1.725 6.691 412 2HB GLU 50 HB1 GLU 50 5.117 -2.819 7.787 413 1HG GLU 50 HG2 GLU 50 6.156 -1.002 8.951 414 2HG GLU 50 HG1 GLU 50 5.664 0.157 7.717 415 H TYR 51 HN TYR 51 4.755 -0.620 4.813 416 HA TYR 51 HA TYR 51 6.687 1.158 3.556 417 1HB TYR 51 HB2 TYR 51 4.671 0.414 2.410 418 2HB TYR 51 HB1 TYR 51 3.654 1.094 3.683 419 HD1 TYR 51 HD1 TYR 51 6.373 2.162 1.300 420 HD2 TYR 51 HD2 TYR 51 2.759 3.224 3.374 421 HE1 TYR 51 HE1 TYR 51 6.343 4.348 0.134 422 HE2 TYR 51 HE2 TYR 51 2.735 5.412 2.208 423 HH TYR 51 HH TYR 51 4.083 6.124 -0.394 424 H LYS 52 HN LYS 52 7.513 1.910 5.852 425 HA LYS 52 HA LYS 52 5.863 3.702 7.422 426 1HB LYS 52 HB2 LYS 52 8.753 2.955 7.173 427 2HB LYS 52 HB1 LYS 52 8.369 4.439 8.044 428 1HG LYS 52 HG2 LYS 52 6.861 3.203 9.536 429 2HG LYS 52 HG1 LYS 52 7.172 1.715 8.642 430 1HD LYS 52 HD2 LYS 52 9.427 1.616 9.366 431 2HD LYS 52 HD1 LYS 52 9.422 3.302 9.878 432 1HE LYS 52 HE2 LYS 52 8.960 2.546 11.971 433 2HE LYS 52 HE1 LYS 52 7.353 2.096 11.368 434 1HZ LYS 52 HZ1 LYS 52 8.620 0.197 12.303 435 2HZ LYS 52 HZ2 LYS 52 9.782 0.406 11.082 436 3HZ LYS 52 HZ3 LYS 52 8.188 -0.023 10.678 437 HA PRO 53 HA PRO 53 6.089 7.261 4.813 438 1HB PRO 53 HB2 PRO 53 5.887 9.288 6.648 439 2HB PRO 53 HB1 PRO 53 4.506 8.292 6.143 440 1HG PRO 53 HG2 PRO 53 6.165 8.119 8.607 441 2HG PRO 53 HG1 PRO 53 4.428 7.867 8.396 442 1HD PRO 53 HD2 PRO 53 6.227 5.825 8.638 443 2HD PRO 53 HD1 PRO 53 4.683 5.680 7.767 444 H GLY 54 HN GLY 54 7.953 7.914 7.820 445 1HA GLY 54 HA2 GLY 54 10.025 9.285 6.238 446 2HA GLY 54 HA1 GLY 54 10.030 9.048 7.980 447 H ASN 55 HN ASN 55 9.830 6.664 5.284 448 HA ASN 55 HA ASN 55 12.459 5.573 6.166 449 1HB ASN 55 HB2 ASN 55 10.398 4.548 7.349 450 2HB ASN 55 HB1 ASN 55 10.040 3.803 5.787 451 1HD2 ASN 55 HD21 ASN 55 11.011 1.795 5.471 452 2HD2 ASN 55 HD22 ASN 55 12.411 1.251 6.272 453 HA PRO 56 HA PRO 56 11.560 5.572 1.526 454 1HB PRO 56 HB2 PRO 56 13.582 7.292 0.824 455 2HB PRO 56 HB1 PRO 56 11.922 7.819 1.164 456 1HG PRO 56 HG2 PRO 56 14.334 7.926 2.895 457 2HG PRO 56 HG1 PRO 56 13.008 9.086 2.730 458 1HD PRO 56 HD2 PRO 56 13.230 7.353 4.815 459 2HD PRO 56 HD1 PRO 56 11.676 7.978 4.217 460 HA PRO 57 HA PRO 57 14.800 2.594 1.154 461 1HB PRO 57 HB2 PRO 57 15.024 2.401 -1.573 462 2HB PRO 57 HB1 PRO 57 13.683 1.681 -0.657 463 1HG PRO 57 HG2 PRO 57 13.772 4.247 -2.178 464 2HG PRO 57 HG1 PRO 57 12.491 3.025 -2.103 465 1HD PRO 57 HD2 PRO 57 12.372 5.323 -0.702 466 2HD PRO 57 HD1 PRO 57 11.685 3.799 -0.092 Start of MODEL 4 1 2H ASP 1 HN2 ASP 1 18.243 -0.047 -7.505 2 H ASP 1 H ASP 1 17.823 -0.770 -6.026 3 HA ASP 1 HA ASP 1 17.918 1.727 -5.973 4 1HB ASP 1 HB2 ASP 1 15.728 1.132 -7.962 5 2HB ASP 1 HB1 ASP 1 15.765 2.663 -7.087 6 H SER 2 HN SER 2 17.472 1.521 -3.791 7 HA SER 2 HA SER 2 15.273 0.075 -2.649 8 1HB SER 2 HB2 SER 2 16.970 2.367 -1.612 9 2HB SER 2 HB1 SER 2 15.947 1.347 -0.604 10 HG SER 2 HG SER 2 17.785 0.262 -0.519 11 H LEU 3 HN LEU 3 15.682 3.531 -3.431 12 HA LEU 3 HA LEU 3 13.246 4.503 -2.286 13 1HB LEU 3 HB2 LEU 3 15.166 5.865 -3.072 14 2HB LEU 3 HB1 LEU 3 14.799 5.417 -4.731 15 HG LEU 3 HG LEU 3 12.498 6.415 -4.400 16 1HD1 LEU 3 HD11 LEU 3 12.226 7.982 -2.512 17 2HD1 LEU 3 HD12 LEU 3 13.808 7.511 -1.891 18 3HD1 LEU 3 HD13 LEU 3 12.492 6.338 -1.931 19 1HD2 LEU 3 HD21 LEU 3 14.596 7.575 -5.402 20 2HD2 LEU 3 HD22 LEU 3 14.645 8.472 -3.884 21 3HD2 LEU 3 HD23 LEU 3 13.234 8.594 -4.936 22 H VAL 4 HN VAL 4 14.015 3.293 -5.527 23 HA VAL 4 HA VAL 4 11.512 3.778 -6.791 24 HB VAL 4 HB VAL 4 13.670 1.673 -7.148 25 1HG1 VAL 4 HG11 VAL 4 11.104 2.091 -8.624 26 2HG1 VAL 4 HG12 VAL 4 12.008 0.602 -8.345 27 3HG1 VAL 4 HG13 VAL 4 12.546 1.742 -9.579 28 1HG2 VAL 4 HG21 VAL 4 14.029 4.225 -7.493 29 2HG2 VAL 4 HG22 VAL 4 13.033 4.017 -8.933 30 3HG2 VAL 4 HG23 VAL 4 14.551 3.133 -8.776 31 H LEU 5 HN LEU 5 12.632 0.855 -5.019 32 HA LEU 5 HA LEU 5 10.250 -0.694 -5.334 33 1HB LEU 5 HB2 LEU 5 12.734 -0.759 -3.886 34 2HB LEU 5 HB1 LEU 5 11.439 -1.139 -2.756 35 HG LEU 5 HG LEU 5 12.306 -3.180 -3.838 36 1HD1 LEU 5 HD11 LEU 5 9.923 -3.623 -5.113 37 2HD1 LEU 5 HD12 LEU 5 9.514 -2.246 -4.090 38 3HD1 LEU 5 HD13 LEU 5 10.150 -3.722 -3.367 39 1HD2 LEU 5 HD21 LEU 5 12.820 -1.811 -6.015 40 2HD2 LEU 5 HD22 LEU 5 11.163 -2.225 -6.455 41 3HD2 LEU 5 HD23 LEU 5 12.342 -3.503 -6.160 42 H TYR 6 HN TYR 6 11.206 1.669 -2.844 43 HA TYR 6 HA TYR 6 8.938 1.442 -1.127 44 1HB TYR 6 HB2 TYR 6 11.220 2.725 -0.952 45 2HB TYR 6 HB1 TYR 6 10.338 4.044 -1.725 46 HD1 TYR 6 HD1 TYR 6 8.013 4.650 -0.679 47 HD2 TYR 6 HD2 TYR 6 11.084 2.452 1.366 48 HE1 TYR 6 HE1 TYR 6 6.977 5.223 1.498 49 HE2 TYR 6 HE2 TYR 6 10.048 3.030 3.544 50 HH TYR 6 HH TYR 6 8.034 5.417 4.042 51 H ASN 7 HN ASN 7 9.473 3.430 -4.042 52 HA ASN 7 HA ASN 7 7.096 5.001 -3.943 53 1HB ASN 7 HB2 ASN 7 8.771 3.903 -6.221 54 2HB ASN 7 HB1 ASN 7 7.487 5.090 -6.456 55 1HD2 ASN 7 HD21 ASN 7 10.263 5.666 -7.022 56 2HD2 ASN 7 HD22 ASN 7 10.774 6.867 -5.937 57 H ARG 8 HN ARG 8 7.700 1.776 -5.317 58 HA ARG 8 HA ARG 8 5.210 1.399 -6.630 59 1HB ARG 8 HB2 ARG 8 7.186 -0.478 -5.310 60 2HB ARG 8 HB1 ARG 8 5.832 -1.047 -6.290 61 1HG ARG 8 HG2 ARG 8 6.644 0.294 -8.198 62 2HG ARG 8 HG1 ARG 8 8.001 0.858 -7.222 63 1HD ARG 8 HD2 ARG 8 8.789 -0.994 -8.588 64 2HD ARG 8 HD1 ARG 8 8.661 -1.582 -6.918 65 HE ARG 8 HE ARG 8 6.153 -1.938 -8.302 66 1HH1 ARG 8 HH21 ARG 8 7.979 -3.796 -6.523 67 2HH1 ARG 8 HH22 ARG 8 8.163 -5.129 -7.615 68 1HH2 ARG 8 HH11 ARG 8 6.976 -3.380 -10.365 69 2HH2 ARG 8 HH12 ARG 8 7.594 -4.893 -9.792 70 H VAL 9 HN VAL 9 6.134 0.487 -3.256 71 HA VAL 9 HA VAL 9 3.500 -0.529 -2.624 72 HB VAL 9 HB VAL 9 4.373 -0.515 -0.309 73 1HG1 VAL 9 HG11 VAL 9 6.788 -1.357 -1.789 74 2HG1 VAL 9 HG12 VAL 9 5.272 -2.010 -2.407 75 3HG1 VAL 9 HG13 VAL 9 5.732 -2.288 -0.728 76 1HG2 VAL 9 HG21 VAL 9 6.537 0.400 0.240 77 2HG2 VAL 9 HG22 VAL 9 5.599 1.688 -0.503 78 3HG2 VAL 9 HG23 VAL 9 6.832 0.841 -1.438 79 H ALA 10 HN ALA 10 5.098 2.607 -2.194 80 HA ALA 10 HA ALA 10 3.090 3.948 -0.674 81 1HB ALA 10 HB1 ALA 10 4.441 5.767 -1.071 82 2HB ALA 10 HB2 ALA 10 4.567 5.422 -2.796 83 3HB ALA 10 HB3 ALA 10 5.550 4.520 -1.642 84 H VAL 11 HN VAL 11 3.478 3.521 -4.176 85 HA VAL 11 HA VAL 11 1.402 5.239 -5.085 86 HB VAL 11 HB VAL 11 2.648 2.680 -6.132 87 1HG1 VAL 11 HG11 VAL 11 1.719 3.348 -8.357 88 2HG1 VAL 11 HG12 VAL 11 0.757 4.584 -7.546 89 3HG1 VAL 11 HG13 VAL 11 0.470 2.877 -7.202 90 1HG2 VAL 11 HG21 VAL 11 3.808 5.060 -5.805 91 2HG2 VAL 11 HG22 VAL 11 2.995 5.395 -7.334 92 3HG2 VAL 11 HG23 VAL 11 4.147 4.064 -7.221 93 H GLN 12 HN GLN 12 1.263 1.722 -4.384 94 HA GLN 12 HA GLN 12 -1.498 1.354 -4.994 95 1HB GLN 12 HB2 GLN 12 0.611 -0.187 -4.295 96 2HB GLN 12 HB1 GLN 12 -0.260 -0.178 -2.765 97 1HG GLN 12 HG2 GLN 12 -1.261 -1.991 -3.829 98 2HG GLN 12 HG1 GLN 12 -2.347 -0.686 -4.308 99 1HE2 GLN 12 HE21 GLN 12 -0.927 -3.311 -5.626 100 2HE2 GLN 12 HE22 GLN 12 -0.642 -2.754 -7.204 101 H GLY 13 HN GLY 13 0.067 1.944 -1.844 102 1HA GLY 13 HA2 GLY 13 -1.983 2.004 -0.039 103 2HA GLY 13 HA1 GLY 13 -0.691 3.218 -0.001 104 H ASP 14 HN ASP 14 -1.070 4.860 -1.960 105 HA ASP 14 HA ASP 14 -3.227 6.554 -1.172 106 1HB ASP 14 HB2 ASP 14 -1.412 6.433 -3.591 107 2HB ASP 14 HB1 ASP 14 -2.519 7.775 -3.291 108 H VAL 15 HN VAL 15 -2.975 4.220 -3.857 109 HA VAL 15 HA VAL 15 -5.266 5.036 -5.343 110 HB VAL 15 HB VAL 15 -3.975 2.324 -4.875 111 1HG1 VAL 15 HG11 VAL 15 -5.880 3.174 -7.082 112 2HG1 VAL 15 HG12 VAL 15 -6.275 2.068 -5.766 113 3HG1 VAL 15 HG13 VAL 15 -5.064 1.614 -6.965 114 1HG2 VAL 15 HG21 VAL 15 -3.720 4.016 -7.345 115 2HG2 VAL 15 HG22 VAL 15 -2.600 2.818 -6.696 116 3HG2 VAL 15 HG23 VAL 15 -2.745 4.398 -5.926 117 H VAL 16 HN VAL 16 -4.981 2.728 -2.632 118 HA VAL 16 HA VAL 16 -7.708 1.870 -2.525 119 HB VAL 16 HB VAL 16 -5.508 2.200 -0.462 120 1HG1 VAL 16 HG11 VAL 16 -7.646 2.119 0.729 121 2HG1 VAL 16 HG12 VAL 16 -6.810 0.577 0.914 122 3HG1 VAL 16 HG13 VAL 16 -8.150 0.723 -0.224 123 1HG2 VAL 16 HG21 VAL 16 -5.392 -0.295 -0.816 124 2HG2 VAL 16 HG22 VAL 16 -4.969 0.653 -2.237 125 3HG2 VAL 16 HG23 VAL 16 -6.554 -0.104 -2.118 126 H ARG 17 HN ARG 17 -6.045 4.578 -0.904 127 HA ARG 17 HA ARG 17 -8.230 5.571 0.631 128 1HB ARG 17 HB2 ARG 17 -5.835 6.205 0.841 129 2HB ARG 17 HB1 ARG 17 -5.941 7.059 -0.699 130 1HG ARG 17 HG2 ARG 17 -7.723 8.509 0.255 131 2HG ARG 17 HG1 ARG 17 -7.533 7.689 1.806 132 1HD ARG 17 HD2 ARG 17 -5.247 9.093 0.383 133 2HD ARG 17 HD1 ARG 17 -6.239 9.857 1.641 134 HE ARG 17 HE ARG 17 -5.533 7.506 2.842 135 1HH1 ARG 17 HH11 ARG 17 -4.248 9.958 3.824 136 2HH1 ARG 17 HH12 ARG 17 -2.569 9.682 3.504 137 1HH2 ARG 17 HH21 ARG 17 -3.148 7.112 1.248 138 2HH2 ARG 17 HH22 ARG 17 -1.946 8.070 2.046 139 H GLU 18 HN GLU 18 -7.244 6.293 -2.725 140 HA GLU 18 HA GLU 18 -9.023 8.438 -3.242 141 1HB GLU 18 HB2 GLU 18 -7.798 6.286 -4.936 142 2HB GLU 18 HB1 GLU 18 -8.726 7.604 -5.639 143 1HG GLU 18 HG2 GLU 18 -6.467 8.160 -3.725 144 2HG GLU 18 HG1 GLU 18 -6.147 7.888 -5.438 145 H LEU 19 HN LEU 19 -9.556 4.923 -3.703 146 HA LEU 19 HA LEU 19 -12.144 5.093 -4.878 147 1HB LEU 19 HB2 LEU 19 -10.647 3.081 -3.253 148 2HB LEU 19 HB1 LEU 19 -12.315 2.757 -3.716 149 HG LEU 19 HG LEU 19 -11.413 3.526 -6.103 150 1HD1 LEU 19 HD11 LEU 19 -9.066 2.488 -6.308 151 2HD1 LEU 19 HD12 LEU 19 -8.983 2.633 -4.551 152 3HD1 LEU 19 HD13 LEU 19 -9.175 4.076 -5.547 153 1HD2 LEU 19 HD21 LEU 19 -10.582 0.958 -6.232 154 2HD2 LEU 19 HD22 LEU 19 -12.287 1.400 -6.143 155 3HD2 LEU 19 HD23 LEU 19 -11.427 0.907 -4.684 156 H LYS 20 HN LYS 20 -11.148 4.992 -1.487 157 HA LYS 20 HA LYS 20 -13.730 4.799 -0.311 158 1HB LYS 20 HB2 LYS 20 -11.275 4.590 0.628 159 2HB LYS 20 HB1 LYS 20 -11.452 6.319 0.932 160 1HG LYS 20 HG2 LYS 20 -12.159 5.136 2.923 161 2HG LYS 20 HG1 LYS 20 -13.597 5.809 2.150 162 1HD LYS 20 HD2 LYS 20 -14.216 3.696 1.226 163 2HD LYS 20 HD1 LYS 20 -12.637 2.998 1.582 164 1HE LYS 20 HE2 LYS 20 -13.177 2.578 3.766 165 2HE LYS 20 HE1 LYS 20 -14.129 4.069 3.919 166 1HZ LYS 20 HZ1 LYS 20 -15.880 3.117 2.638 167 2HZ LYS 20 HZ2 LYS 20 -15.497 2.004 3.862 168 3HZ LYS 20 HZ3 LYS 20 -14.958 1.742 2.273 169 H ALA 21 HN ALA 21 -11.749 7.564 -1.292 170 HA ALA 21 HA ALA 21 -13.456 9.660 -0.325 171 1HB ALA 21 HB1 ALA 21 -11.719 9.604 -2.819 172 2HB ALA 21 HB2 ALA 21 -11.084 9.834 -1.190 173 3HB ALA 21 HB3 ALA 21 -12.178 11.029 -1.886 174 H LYS 22 HN LYS 22 -13.626 7.474 -3.064 175 HA LYS 22 HA LYS 22 -15.715 9.025 -4.462 176 1HB LYS 22 HB2 LYS 22 -14.530 6.256 -4.860 177 2HB LYS 22 HB1 LYS 22 -15.618 7.059 -5.990 178 1HG LYS 22 HG2 LYS 22 -14.004 8.906 -6.246 179 2HG LYS 22 HG1 LYS 22 -12.915 8.108 -5.117 180 1HD LYS 22 HD2 LYS 22 -12.752 6.166 -6.624 181 2HD LYS 22 HD1 LYS 22 -13.846 6.956 -7.761 182 1HE LYS 22 HE2 LYS 22 -12.108 8.928 -7.656 183 2HE LYS 22 HE1 LYS 22 -11.001 7.667 -7.075 184 1HZ LYS 22 HZ1 LYS 22 -12.633 7.583 -9.559 185 2HZ LYS 22 HZ2 LYS 22 -11.706 6.286 -8.971 186 3HZ LYS 22 HZ3 LYS 22 -10.945 7.720 -9.471 187 H LYS 23 HN LYS 23 -15.832 7.338 -1.640 188 HA LYS 23 HA LYS 23 -17.527 6.233 -0.443 189 1HB LYS 23 HB2 LYS 23 -19.044 7.648 -2.626 190 2HB LYS 23 HB1 LYS 23 -19.846 6.842 -1.282 191 1HG LYS 23 HG2 LYS 23 -18.596 8.256 0.313 192 2HG LYS 23 HG1 LYS 23 -17.806 9.075 -1.035 193 1HD LYS 23 HD2 LYS 23 -19.607 10.501 -0.460 194 2HD LYS 23 HD1 LYS 23 -20.188 9.611 -1.867 195 1HE LYS 23 HE2 LYS 23 -20.771 8.128 0.568 196 2HE LYS 23 HE1 LYS 23 -21.453 9.764 0.647 197 1HZ LYS 23 HZ1 LYS 23 -23.029 8.496 -0.523 198 2HZ LYS 23 HZ2 LYS 23 -21.847 7.723 -1.465 199 3HZ LYS 23 HZ3 LYS 23 -22.202 9.365 -1.722 200 H ALA 24 HN ALA 24 -16.229 4.916 -2.829 201 HA ALA 24 HA ALA 24 -18.033 3.276 -4.292 202 1HB ALA 24 HB1 ALA 24 -15.916 3.021 -5.113 203 2HB ALA 24 HB2 ALA 24 -15.784 1.730 -3.919 204 3HB ALA 24 HB3 ALA 24 -15.177 3.343 -3.545 205 HA PRO 25 HA PRO 25 -19.428 0.266 -1.390 206 1HB PRO 25 HB2 PRO 25 -19.106 -2.135 -2.666 207 2HB PRO 25 HB1 PRO 25 -20.357 -0.962 -3.121 208 1HG PRO 25 HG2 PRO 25 -17.719 -1.502 -4.391 209 2HG PRO 25 HG1 PRO 25 -19.282 -1.148 -5.143 210 1HD PRO 25 HD2 PRO 25 -17.303 0.699 -4.869 211 2HD PRO 25 HD1 PRO 25 -19.032 1.118 -4.904 212 H LYS 26 HN LYS 26 -18.665 -1.309 0.197 213 HA LYS 26 HA LYS 26 -15.970 -1.114 1.002 214 1HB LYS 26 HB2 LYS 26 -18.102 -3.204 1.498 215 2HB LYS 26 HB1 LYS 26 -16.564 -3.181 2.361 216 1HG LYS 26 HG2 LYS 26 -17.047 -0.896 3.165 217 2HG LYS 26 HG1 LYS 26 -18.588 -0.923 2.304 218 1HD LYS 26 HD2 LYS 26 -19.310 -2.865 3.647 219 2HD LYS 26 HD1 LYS 26 -17.773 -2.838 4.511 220 1HE LYS 26 HE2 LYS 26 -19.316 -1.662 5.920 221 2HE LYS 26 HE1 LYS 26 -18.360 -0.396 5.125 222 1HZ LYS 26 HZ1 LYS 26 -20.785 -0.018 4.967 223 2HZ LYS 26 HZ2 LYS 26 -20.930 -1.462 4.084 224 3HZ LYS 26 HZ3 LYS 26 -20.038 -0.161 3.452 225 H GLU 27 HN GLU 27 -17.403 -3.248 -1.379 226 HA GLU 27 HA GLU 27 -15.475 -5.341 -1.427 227 1HB GLU 27 HB2 GLU 27 -17.199 -4.046 -3.554 228 2HB GLU 27 HB1 GLU 27 -16.273 -5.522 -3.837 229 1HG GLU 27 HG2 GLU 27 -17.472 -6.699 -2.112 230 2HG GLU 27 HG1 GLU 27 -18.250 -5.217 -1.566 231 H ASP 28 HN ASP 28 -15.485 -2.163 -3.055 232 HA ASP 28 HA ASP 28 -13.035 -2.611 -4.547 233 1HB ASP 28 HB2 ASP 28 -14.768 -0.273 -3.780 234 2HB ASP 28 HB1 ASP 28 -13.229 0.005 -4.598 235 H VAL 29 HN VAL 29 -13.775 -0.821 -1.545 236 HA VAL 29 HA VAL 29 -11.089 0.064 -1.053 237 HB VAL 29 HB VAL 29 -13.476 -0.418 0.762 238 1HG1 VAL 29 HG11 VAL 29 -11.023 1.303 1.243 239 2HG1 VAL 29 HG12 VAL 29 -11.325 -0.251 2.020 240 3HG1 VAL 29 HG13 VAL 29 -12.397 1.115 2.332 241 1HG2 VAL 29 HG21 VAL 29 -12.466 2.194 -0.376 242 2HG2 VAL 29 HG22 VAL 29 -14.042 1.853 0.339 243 3HG2 VAL 29 HG23 VAL 29 -13.629 1.191 -1.243 244 H ASP 30 HN ASP 30 -12.922 -2.698 0.341 245 HA ASP 30 HA ASP 30 -10.844 -3.708 1.999 246 1HB ASP 30 HB2 ASP 30 -13.179 -4.981 0.552 247 2HB ASP 30 HB1 ASP 30 -12.189 -5.863 1.717 248 H ALA 31 HN ALA 31 -11.719 -4.768 -1.332 249 HA ALA 31 HA ALA 31 -9.620 -6.688 -1.594 250 1HB ALA 31 HB1 ALA 31 -10.053 -6.023 -4.127 251 2HB ALA 31 HB2 ALA 31 -11.375 -5.087 -3.431 252 3HB ALA 31 HB3 ALA 31 -11.312 -6.834 -3.196 253 H ALA 32 HN ALA 32 -9.762 -3.272 -2.578 254 HA ALA 32 HA ALA 32 -7.119 -3.148 -3.691 255 1HB ALA 32 HB1 ALA 32 -7.544 -0.776 -3.703 256 2HB ALA 32 HB2 ALA 32 -8.710 -0.921 -2.387 257 3HB ALA 32 HB3 ALA 32 -9.093 -1.571 -3.981 258 H VAL 33 HN VAL 33 -8.334 -2.481 -0.379 259 HA VAL 33 HA VAL 33 -5.780 -1.556 0.605 260 HB VAL 33 HB VAL 33 -8.273 -1.327 1.463 261 1HG1 VAL 33 HG11 VAL 33 -7.312 -3.797 2.922 262 2HG1 VAL 33 HG12 VAL 33 -8.850 -3.541 2.097 263 3HG1 VAL 33 HG13 VAL 33 -8.512 -2.704 3.604 264 1HG2 VAL 33 HG21 VAL 33 -7.373 -0.221 3.245 265 2HG2 VAL 33 HG22 VAL 33 -5.872 -0.540 2.376 266 3HG2 VAL 33 HG23 VAL 33 -6.356 -1.584 3.713 267 H LYS 34 HN LYS 34 -7.358 -4.736 0.486 268 HA LYS 34 HA LYS 34 -5.428 -6.211 2.017 269 1HB LYS 34 HB2 LYS 34 -7.256 -6.903 -0.302 270 2HB LYS 34 HB1 LYS 34 -6.321 -8.118 0.571 271 1HG LYS 34 HG2 LYS 34 -8.138 -6.182 2.010 272 2HG LYS 34 HG1 LYS 34 -8.732 -7.719 1.378 273 1HD LYS 34 HD2 LYS 34 -6.918 -8.878 2.666 274 2HD LYS 34 HD1 LYS 34 -6.498 -7.325 3.387 275 1HE LYS 34 HE2 LYS 34 -8.915 -7.159 4.176 276 2HE LYS 34 HE1 LYS 34 -9.096 -8.856 3.689 277 1HZ LYS 34 HZ1 LYS 34 -6.922 -7.866 5.452 278 2HZ LYS 34 HZ2 LYS 34 -7.292 -9.484 5.089 279 3HZ LYS 34 HZ3 LYS 34 -8.357 -8.557 6.034 280 H GLN 35 HN GLN 35 -5.538 -5.155 -1.336 281 HA GLN 35 HA GLN 35 -3.349 -6.623 -2.421 282 1HB GLN 35 HB2 GLN 35 -5.128 -5.094 -3.515 283 2HB GLN 35 HB1 GLN 35 -4.073 -3.758 -3.068 284 1HG GLN 35 HG2 GLN 35 -2.216 -4.774 -4.323 285 2HG GLN 35 HG1 GLN 35 -3.256 -6.126 -4.774 286 1HE2 GLN 35 HE21 GLN 35 -3.626 -5.791 -6.995 287 2HE2 GLN 35 HE22 GLN 35 -4.218 -4.345 -7.657 288 H LEU 36 HN LEU 36 -3.482 -3.526 -0.683 289 HA LEU 36 HA LEU 36 -0.764 -2.728 -0.979 290 1HB LEU 36 HB2 LEU 36 -2.501 -2.328 1.474 291 2HB LEU 36 HB1 LEU 36 -1.191 -1.303 0.911 292 HG LEU 36 HG LEU 36 -3.862 -1.696 -0.462 293 1HD1 LEU 36 HD11 LEU 36 -4.213 -0.212 1.313 294 2HD1 LEU 36 HD12 LEU 36 -3.813 0.872 -0.019 295 3HD1 LEU 36 HD13 LEU 36 -2.592 0.471 1.189 296 1HD2 LEU 36 HD21 LEU 36 -1.948 -1.450 -2.041 297 2HD2 LEU 36 HD22 LEU 36 -1.511 0.052 -1.233 298 3HD2 LEU 36 HD23 LEU 36 -3.046 -0.071 -2.093 299 H LEU 37 HN LEU 37 -2.326 -4.848 1.428 300 HA LEU 37 HA LEU 37 -0.104 -5.253 3.168 301 1HB LEU 37 HB2 LEU 37 -2.536 -6.800 2.380 302 2HB LEU 37 HB1 LEU 37 -1.357 -7.541 3.458 303 HG LEU 37 HG LEU 37 -1.537 -5.455 4.896 304 1HD1 LEU 37 HD11 LEU 37 -3.711 -4.190 4.561 305 2HD1 LEU 37 HD12 LEU 37 -3.837 -4.979 2.990 306 3HD1 LEU 37 HD13 LEU 37 -2.485 -3.897 3.326 307 1HD2 LEU 37 HD21 LEU 37 -3.569 -6.217 5.991 308 2HD2 LEU 37 HD22 LEU 37 -2.713 -7.628 5.367 309 3HD2 LEU 37 HD23 LEU 37 -4.119 -6.998 4.509 310 H SER 38 HN SER 38 -0.973 -6.751 0.089 311 HA SER 38 HA SER 38 0.913 -8.901 0.084 312 1HB SER 38 HB2 SER 38 -0.982 -8.525 -1.517 313 2HB SER 38 HB1 SER 38 -0.075 -7.195 -2.230 314 HG SER 38 HG SER 38 0.645 -9.939 -2.112 315 H LEU 39 HN LEU 39 1.197 -5.479 -0.870 316 HA LEU 39 HA LEU 39 3.859 -5.536 -1.939 317 1HB LEU 39 HB2 LEU 39 2.385 -3.392 -0.354 318 2HB LEU 39 HB1 LEU 39 3.793 -3.109 -1.376 319 HG LEU 39 HG LEU 39 1.146 -4.224 -2.352 320 1HD1 LEU 39 HD11 LEU 39 0.441 -2.126 -2.752 321 2HD1 LEU 39 HD12 LEU 39 2.010 -1.622 -3.378 322 3HD1 LEU 39 HD13 LEU 39 1.704 -1.601 -1.641 323 1HD2 LEU 39 HD21 LEU 39 2.988 -5.003 -3.719 324 2HD2 LEU 39 HD22 LEU 39 3.705 -3.392 -3.752 325 3HD2 LEU 39 HD23 LEU 39 2.187 -3.698 -4.596 326 H LYS 40 HN LYS 40 2.673 -4.821 1.346 327 HA LYS 40 HA LYS 40 5.232 -4.603 2.640 328 1HB LYS 40 HB2 LYS 40 2.987 -3.849 3.502 329 2HB LYS 40 HB1 LYS 40 2.560 -5.541 3.751 330 1HG LYS 40 HG2 LYS 40 4.344 -5.834 5.343 331 2HG LYS 40 HG1 LYS 40 4.990 -4.232 4.988 332 1HD LYS 40 HD2 LYS 40 3.778 -3.824 6.941 333 2HD LYS 40 HD1 LYS 40 2.594 -3.417 5.700 334 1HE LYS 40 HE2 LYS 40 1.404 -4.837 7.199 335 2HE LYS 40 HE1 LYS 40 1.864 -5.910 5.870 336 1HZ LYS 40 HZ1 LYS 40 4.051 -5.868 7.578 337 2HZ LYS 40 HZ2 LYS 40 2.945 -7.139 7.363 338 3HZ LYS 40 HZ3 LYS 40 2.695 -5.995 8.589 339 H ALA 41 HN ALA 41 3.133 -7.322 1.832 340 HA ALA 41 HA ALA 41 4.325 -9.367 3.418 341 1HB ALA 41 HB1 ALA 41 3.020 -10.778 2.085 342 2HB ALA 41 HB2 ALA 41 3.344 -9.852 0.619 343 3HB ALA 41 HB3 ALA 41 2.215 -9.231 1.822 344 H GLU 42 HN GLU 42 5.140 -8.194 0.123 345 HA GLU 42 HA GLU 42 7.259 -10.061 -0.410 346 1HB GLU 42 HB2 GLU 42 6.714 -7.193 -1.261 347 2HB GLU 42 HB1 GLU 42 7.978 -8.193 -1.981 348 1HG GLU 42 HG2 GLU 42 6.286 -9.866 -2.641 349 2HG GLU 42 HG1 GLU 42 5.021 -8.870 -1.925 350 H TYR 43 HN TYR 43 7.198 -6.845 1.078 351 HA TYR 43 HA TYR 43 9.984 -6.536 1.645 352 1HB TYR 43 HB2 TYR 43 7.362 -5.430 2.492 353 2HB TYR 43 HB1 TYR 43 8.676 -5.188 3.640 354 HD1 TYR 43 HD1 TYR 43 8.512 -5.226 -0.116 355 HD2 TYR 43 HD2 TYR 43 9.542 -3.030 3.430 356 HE1 TYR 43 HE1 TYR 43 9.384 -3.373 -1.515 357 HE2 TYR 43 HE2 TYR 43 10.416 -1.179 2.030 358 HH TYR 43 HH TYR 43 10.049 -0.307 -0.299 359 H LYS 44 HN LYS 44 7.331 -7.998 3.502 360 HA LYS 44 HA LYS 44 8.703 -8.541 5.924 361 1HB LYS 44 HB2 LYS 44 6.268 -8.660 5.599 362 2HB LYS 44 HB1 LYS 44 6.471 -10.048 4.532 363 1HG LYS 44 HG2 LYS 44 5.837 -10.792 6.791 364 2HG LYS 44 HG1 LYS 44 7.470 -11.331 6.404 365 1HD LYS 44 HD2 LYS 44 8.403 -9.422 7.662 366 2HD LYS 44 HD1 LYS 44 6.770 -8.881 8.051 367 1HE LYS 44 HE2 LYS 44 7.733 -11.663 8.765 368 2HE LYS 44 HE1 LYS 44 7.941 -10.281 9.859 369 1HZ LYS 44 HZ1 LYS 44 5.838 -11.315 10.322 370 2HZ LYS 44 HZ2 LYS 44 5.388 -11.249 8.685 371 3HZ LYS 44 HZ3 LYS 44 5.548 -9.816 9.583 372 H GLU 45 HN GLU 45 8.551 -10.435 2.921 373 HA GLU 45 HA GLU 45 9.621 -12.882 3.840 374 1HB GLU 45 HB2 GLU 45 9.893 -11.366 1.231 375 2HB GLU 45 HB1 GLU 45 10.427 -13.034 1.431 376 1HG GLU 45 HG2 GLU 45 8.147 -13.689 2.110 377 2HG GLU 45 HG1 GLU 45 7.608 -12.024 1.911 378 H LYS 46 HN LYS 46 11.355 -9.918 2.831 379 HA LYS 46 HA LYS 46 14.001 -11.052 3.013 380 1HB LYS 46 HB2 LYS 46 12.874 -8.243 3.152 381 2HB LYS 46 HB1 LYS 46 14.604 -8.580 3.104 382 1HG LYS 46 HG2 LYS 46 14.314 -9.798 0.977 383 2HG LYS 46 HG1 LYS 46 12.583 -9.459 1.020 384 1HD LYS 46 HD2 LYS 46 13.052 -7.036 0.961 385 2HD LYS 46 HD1 LYS 46 14.783 -7.373 0.914 386 1HE LYS 46 HE2 LYS 46 14.226 -7.064 -1.371 387 2HE LYS 46 HE1 LYS 46 14.189 -8.829 -1.187 388 1HZ LYS 46 HZ1 LYS 46 11.835 -7.050 -0.830 389 2HZ LYS 46 HZ2 LYS 46 11.839 -8.748 -0.779 390 3HZ LYS 46 HZ3 LYS 46 12.156 -7.939 -2.239 391 H THR 47 HN THR 47 12.462 -8.671 5.252 392 HA THR 47 HA THR 47 13.304 -10.180 7.610 393 HB THR 47 HB THR 47 15.437 -9.255 6.796 394 HG1 THR 47 HG1 THR 47 15.824 -9.079 8.829 395 1HG2 THR 47 HG21 THR 47 14.455 -7.290 5.615 396 2HG2 THR 47 HG22 THR 47 15.796 -6.845 6.671 397 3HG2 THR 47 HG23 THR 47 14.135 -6.544 7.181 398 H GLY 48 HN GLY 48 10.867 -8.718 6.524 399 1HA GLY 48 HA2 GLY 48 9.102 -7.485 7.503 400 2HA GLY 48 HA1 GLY 48 10.003 -7.532 9.019 401 H GLN 49 HN GLN 49 10.323 -6.007 5.796 402 HA GLN 49 HA GLN 49 11.767 -3.722 6.938 403 1HB GLN 49 HB2 GLN 49 10.703 -4.456 4.196 404 2HB GLN 49 HB1 GLN 49 11.656 -3.005 4.511 405 1HG GLN 49 HG2 GLN 49 13.518 -4.360 5.326 406 2HG GLN 49 HG1 GLN 49 12.563 -5.830 5.131 407 1HE2 GLN 49 HE21 GLN 49 15.116 -5.096 3.740 408 2HE2 GLN 49 HE22 GLN 49 14.757 -5.131 2.081 409 H GLU 50 HN GLU 50 8.509 -4.449 5.814 410 HA GLU 50 HA GLU 50 6.591 -3.075 5.545 411 1HB GLU 50 HB2 GLU 50 5.958 -2.301 7.863 412 2HB GLU 50 HB1 GLU 50 6.481 -3.979 7.749 413 1HG GLU 50 HG2 GLU 50 8.683 -3.406 8.613 414 2HG GLU 50 HG1 GLU 50 8.285 -1.691 8.608 415 H TYR 51 HN TYR 51 6.908 -1.362 4.111 416 HA TYR 51 HA TYR 51 8.492 0.954 4.484 417 1HB TYR 51 HB2 TYR 51 7.025 1.902 2.723 418 2HB TYR 51 HB1 TYR 51 7.467 0.235 2.357 419 HD1 TYR 51 HD1 TYR 51 5.812 -1.529 2.342 420 HD2 TYR 51 HD2 TYR 51 4.757 2.446 3.579 421 HE1 TYR 51 HE1 TYR 51 3.411 -2.138 2.249 422 HE2 TYR 51 HE2 TYR 51 2.355 1.837 3.486 423 HH TYR 51 HH TYR 51 1.012 -0.119 2.027 424 H LYS 52 HN LYS 52 8.145 2.905 5.521 425 HA LYS 52 HA LYS 52 6.237 3.048 7.680 426 1HB LYS 52 HB2 LYS 52 8.069 5.036 6.313 427 2HB LYS 52 HB1 LYS 52 7.145 5.427 7.765 428 1HG LYS 52 HG2 LYS 52 8.201 3.509 8.932 429 2HG LYS 52 HG1 LYS 52 9.163 3.181 7.492 430 1HD LYS 52 HD2 LYS 52 10.573 4.933 7.871 431 2HD LYS 52 HD1 LYS 52 9.281 5.973 8.473 432 1HE LYS 52 HE2 LYS 52 10.461 5.587 10.452 433 2HE LYS 52 HE1 LYS 52 9.320 4.229 10.504 434 1HZ LYS 52 HZ1 LYS 52 11.550 3.396 10.780 435 2HZ LYS 52 HZ2 LYS 52 12.066 4.184 9.366 436 3HZ LYS 52 HZ3 LYS 52 10.959 2.899 9.271 437 HA PRO 53 HA PRO 53 2.787 4.828 5.627 438 1HB PRO 53 HB2 PRO 53 1.710 6.420 7.564 439 2HB PRO 53 HB1 PRO 53 1.616 4.649 7.594 440 1HG PRO 53 HG2 PRO 53 3.392 6.474 9.117 441 2HG PRO 53 HG1 PRO 53 2.657 4.941 9.606 442 1HD PRO 53 HD2 PRO 53 5.284 5.244 8.826 443 2HD PRO 53 HD1 PRO 53 4.383 3.712 8.778 444 H GLY 54 HN GLY 54 5.453 6.761 6.506 445 1HA GLY 54 HA2 GLY 54 4.306 9.337 5.666 446 2HA GLY 54 HA1 GLY 54 5.985 9.028 6.075 447 H ASN 55 HN ASN 55 4.881 6.714 3.824 448 HA ASN 55 HA ASN 55 5.367 6.387 1.549 449 1HB ASN 55 HB2 ASN 55 4.261 9.073 1.938 450 2HB ASN 55 HB1 ASN 55 5.266 8.972 0.492 451 1HD2 ASN 55 HD21 ASN 55 3.969 8.511 -1.286 452 2HD2 ASN 55 HD22 ASN 55 2.657 7.426 -1.285 453 HA PRO 56 HA PRO 56 9.594 7.267 0.703 454 1HB PRO 56 HB2 PRO 56 9.688 7.933 -1.958 455 2HB PRO 56 HB1 PRO 56 9.431 6.276 -1.378 456 1HG PRO 56 HG2 PRO 56 7.449 8.264 -2.367 457 2HG PRO 56 HG1 PRO 56 7.530 6.517 -2.645 458 1HD PRO 56 HD2 PRO 56 5.826 7.639 -0.868 459 2HD PRO 56 HD1 PRO 56 6.516 6.016 -0.651 460 HA PRO 57 HA PRO 57 10.216 11.605 1.212 461 1HB PRO 57 HB2 PRO 57 12.866 11.821 0.525 462 2HB PRO 57 HB1 PRO 57 12.315 11.133 2.068 463 1HG PRO 57 HG2 PRO 57 13.133 9.728 -0.440 464 2HG PRO 57 HG1 PRO 57 13.557 9.362 1.242 465 1HD PRO 57 HD2 PRO 57 11.659 7.982 -0.052 466 2HD PRO 57 HD1 PRO 57 11.514 8.363 1.682 Start of MODEL 5 1 2H ASP 1 HN2 ASP 1 18.569 1.016 -2.684 2 H ASP 1 H ASP 1 19.282 0.751 -4.202 3 HA ASP 1 HA ASP 1 18.058 3.293 -3.255 4 1HB ASP 1 HB2 ASP 1 18.758 4.132 -5.456 5 2HB ASP 1 HB1 ASP 1 20.159 3.530 -4.576 6 H SER 2 HN SER 2 16.588 0.932 -3.118 7 HA SER 2 HA SER 2 15.209 0.248 -5.575 8 1HB SER 2 HB2 SER 2 14.705 -0.157 -2.620 9 2HB SER 2 HB1 SER 2 13.619 -0.799 -3.849 10 HG SER 2 HG SER 2 15.153 -2.158 -4.510 11 H LEU 3 HN LEU 3 15.039 2.878 -5.793 12 HA LEU 3 HA LEU 3 12.964 4.305 -4.443 13 1HB LEU 3 HB2 LEU 3 14.770 5.243 -5.879 14 2HB LEU 3 HB1 LEU 3 14.009 4.523 -7.290 15 HG LEU 3 HG LEU 3 11.904 5.846 -6.618 16 1HD1 LEU 3 HD11 LEU 3 14.014 7.034 -4.821 17 2HD1 LEU 3 HD12 LEU 3 12.363 6.561 -4.418 18 3HD1 LEU 3 HD13 LEU 3 12.655 8.009 -5.381 19 1HD2 LEU 3 HD21 LEU 3 14.463 6.922 -7.745 20 2HD2 LEU 3 HD22 LEU 3 13.132 8.048 -7.472 21 3HD2 LEU 3 HD23 LEU 3 12.911 6.664 -8.542 22 H VAL 4 HN VAL 4 12.961 2.435 -7.458 23 HA VAL 4 HA VAL 4 10.268 2.876 -8.262 24 HB VAL 4 HB VAL 4 12.144 0.518 -8.640 25 1HG1 VAL 4 HG11 VAL 4 9.588 1.274 -10.090 26 2HG1 VAL 4 HG12 VAL 4 9.911 -0.224 -9.215 27 3HG1 VAL 4 HG13 VAL 4 10.763 0.120 -10.720 28 1HG2 VAL 4 HG21 VAL 4 11.522 2.659 -10.657 29 2HG2 VAL 4 HG22 VAL 4 12.954 1.637 -10.529 30 3HG2 VAL 4 HG23 VAL 4 12.714 2.964 -9.393 31 H LEU 5 HN LEU 5 11.619 0.311 -6.149 32 HA LEU 5 HA LEU 5 9.248 -1.237 -5.845 33 1HB LEU 5 HB2 LEU 5 11.519 -1.925 -5.163 34 2HB LEU 5 HB1 LEU 5 11.517 -0.698 -3.896 35 HG LEU 5 HG LEU 5 9.441 -1.823 -2.959 36 1HD1 LEU 5 HD11 LEU 5 8.840 -3.031 -5.046 37 2HD1 LEU 5 HD12 LEU 5 9.001 -4.131 -3.677 38 3HD1 LEU 5 HD13 LEU 5 10.291 -4.019 -4.875 39 1HD2 LEU 5 HD21 LEU 5 11.810 -2.168 -2.120 40 2HD2 LEU 5 HD22 LEU 5 11.872 -3.628 -3.108 41 3HD2 LEU 5 HD23 LEU 5 10.710 -3.506 -1.788 42 H TYR 6 HN TYR 6 10.488 1.440 -3.822 43 HA TYR 6 HA TYR 6 8.415 1.529 -1.885 44 1HB TYR 6 HB2 TYR 6 10.414 3.402 -3.066 45 2HB TYR 6 HB1 TYR 6 9.124 4.113 -2.101 46 HD1 TYR 6 HD1 TYR 6 12.276 2.436 -2.027 47 HD2 TYR 6 HD2 TYR 6 8.688 3.098 0.231 48 HE1 TYR 6 HE1 TYR 6 13.470 1.805 0.051 49 HE2 TYR 6 HE2 TYR 6 9.876 2.463 2.313 50 HH TYR 6 HH TYR 6 11.951 0.998 2.872 51 H ASN 7 HN ASN 7 8.620 3.007 -5.106 52 HA ASN 7 HA ASN 7 6.308 4.659 -4.979 53 1HB ASN 7 HB2 ASN 7 7.696 3.166 -7.220 54 2HB ASN 7 HB1 ASN 7 6.415 4.345 -7.502 55 1HD2 ASN 7 HD21 ASN 7 9.144 4.740 -8.420 56 2HD2 ASN 7 HD22 ASN 7 9.773 6.078 -7.586 57 H ARG 8 HN ARG 8 6.642 1.223 -5.882 58 HA ARG 8 HA ARG 8 3.977 0.780 -6.772 59 1HB ARG 8 HB2 ARG 8 6.039 -0.986 -5.433 60 2HB ARG 8 HB1 ARG 8 4.554 -1.611 -6.147 61 1HG ARG 8 HG2 ARG 8 6.522 0.101 -7.685 62 2HG ARG 8 HG1 ARG 8 6.589 -1.662 -7.673 63 1HD ARG 8 HD2 ARG 8 4.392 -1.830 -8.666 64 2HD ARG 8 HD1 ARG 8 4.122 -0.089 -8.484 65 HE ARG 8 HE ARG 8 6.550 -0.607 -9.968 66 1HH1 ARG 8 HH21 ARG 8 4.355 -2.284 -11.255 67 2HH1 ARG 8 HH22 ARG 8 3.752 -1.186 -12.452 68 1HH2 ARG 8 HH11 ARG 8 5.249 1.600 -11.015 69 2HH2 ARG 8 HH12 ARG 8 4.263 1.023 -12.317 70 H VAL 9 HN VAL 9 5.354 0.310 -3.474 71 HA VAL 9 HA VAL 9 2.846 -0.473 -2.308 72 HB VAL 9 HB VAL 9 4.030 0.042 -0.159 73 1HG1 VAL 9 HG11 VAL 9 6.103 -1.342 -1.755 74 2HG1 VAL 9 HG12 VAL 9 4.469 -1.984 -1.911 75 3HG1 VAL 9 HG13 VAL 9 5.229 -1.884 -0.323 76 1HG2 VAL 9 HG21 VAL 9 5.332 2.013 -1.047 77 2HG2 VAL 9 HG22 VAL 9 6.344 0.874 -1.931 78 3HG2 VAL 9 HG23 VAL 9 6.310 0.841 -0.174 79 H ALA 10 HN ALA 10 4.451 2.674 -2.657 80 HA ALA 10 HA ALA 10 2.599 4.243 -1.130 81 1HB ALA 10 HB1 ALA 10 3.816 6.029 -2.003 82 2HB ALA 10 HB2 ALA 10 3.975 5.277 -3.590 83 3HB ALA 10 HB3 ALA 10 4.958 4.707 -2.241 84 H VAL 11 HN VAL 11 2.665 3.321 -4.564 85 HA VAL 11 HA VAL 11 0.488 4.912 -5.471 86 HB VAL 11 HB VAL 11 1.649 2.250 -6.351 87 1HG1 VAL 11 HG11 VAL 11 -0.562 3.910 -7.522 88 2HG1 VAL 11 HG12 VAL 11 -0.393 2.155 -7.467 89 3HG1 VAL 11 HG13 VAL 11 0.559 3.097 -8.614 90 1HG2 VAL 11 HG21 VAL 11 1.944 4.787 -7.884 91 2HG2 VAL 11 HG22 VAL 11 3.113 3.495 -7.611 92 3HG2 VAL 11 HG23 VAL 11 2.807 4.687 -6.349 93 H GLN 12 HN GLN 12 0.471 1.577 -4.117 94 HA GLN 12 HA GLN 12 -2.330 1.091 -4.504 95 1HB GLN 12 HB2 GLN 12 -0.316 -0.437 -3.794 96 2HB GLN 12 HB1 GLN 12 -0.742 0.057 -2.156 97 1HG GLN 12 HG2 GLN 12 -1.984 -1.931 -2.503 98 2HG GLN 12 HG1 GLN 12 -3.154 -0.639 -2.779 99 1HE2 GLN 12 HE21 GLN 12 -4.388 -1.042 -4.630 100 2HE2 GLN 12 HE22 GLN 12 -3.817 -1.802 -6.036 101 H GLY 13 HN GLY 13 -0.607 2.063 -1.517 102 1HA GLY 13 HA2 GLY 13 -2.537 2.514 0.333 103 2HA GLY 13 HA1 GLY 13 -1.226 3.687 0.114 104 H ASP 14 HN ASP 14 -1.719 4.966 -2.114 105 HA ASP 14 HA ASP 14 -3.772 6.844 -1.484 106 1HB ASP 14 HB2 ASP 14 -2.183 6.181 -3.977 107 2HB ASP 14 HB1 ASP 14 -3.275 7.565 -3.897 108 H VAL 15 HN VAL 15 -3.753 4.071 -3.734 109 HA VAL 15 HA VAL 15 -6.225 4.605 -5.037 110 HB VAL 15 HB VAL 15 -4.827 1.999 -4.343 111 1HG1 VAL 15 HG11 VAL 15 -6.105 1.073 -6.267 112 2HG1 VAL 15 HG12 VAL 15 -7.001 2.588 -6.375 113 3HG1 VAL 15 HG13 VAL 15 -7.161 1.568 -4.945 114 1HG2 VAL 15 HG21 VAL 15 -4.837 3.287 -7.047 115 2HG2 VAL 15 HG22 VAL 15 -3.605 2.273 -6.296 116 3HG2 VAL 15 HG23 VAL 15 -3.779 3.958 -5.805 117 H VAL 16 HN VAL 16 -5.568 2.856 -1.961 118 HA VAL 16 HA VAL 16 -8.242 1.948 -1.465 119 HB VAL 16 HB VAL 16 -5.969 2.809 0.369 120 1HG1 VAL 16 HG11 VAL 16 -7.536 0.952 1.747 121 2HG1 VAL 16 HG12 VAL 16 -8.719 2.021 0.995 122 3HG1 VAL 16 HG13 VAL 16 -7.478 2.688 2.054 123 1HG2 VAL 16 HG21 VAL 16 -5.615 0.362 0.571 124 2HG2 VAL 16 HG22 VAL 16 -5.454 0.905 -1.098 125 3HG2 VAL 16 HG23 VAL 16 -6.927 0.088 -0.574 126 H ARG 17 HN ARG 17 -6.555 4.917 -0.419 127 HA ARG 17 HA ARG 17 -8.738 6.187 0.905 128 1HB ARG 17 HB2 ARG 17 -6.319 6.811 0.998 129 2HB ARG 17 HB1 ARG 17 -6.433 7.397 -0.660 130 1HG ARG 17 HG2 ARG 17 -8.053 9.082 -0.021 131 2HG ARG 17 HG1 ARG 17 -8.139 8.433 1.618 132 1HD ARG 17 HD2 ARG 17 -5.828 9.055 2.051 133 2HD ARG 17 HD1 ARG 17 -5.613 9.564 0.364 134 HE ARG 17 HE ARG 17 -7.343 10.945 2.362 135 1HH1 ARG 17 HH21 ARG 17 -4.881 11.957 0.706 136 2HH1 ARG 17 HH22 ARG 17 -5.691 13.020 -0.396 137 1HH2 ARG 17 HH11 ARG 17 -8.847 11.770 0.300 138 2HH2 ARG 17 HH12 ARG 17 -7.934 12.915 -0.623 139 H GLU 18 HN GLU 18 -7.624 6.394 -2.467 140 HA GLU 18 HA GLU 18 -9.471 8.333 -3.427 141 1HB GLU 18 HB2 GLU 18 -7.441 7.485 -4.580 142 2HB GLU 18 HB1 GLU 18 -8.241 5.938 -4.824 143 1HG GLU 18 HG2 GLU 18 -10.008 7.040 -6.135 144 2HG GLU 18 HG1 GLU 18 -9.224 8.600 -5.896 145 H LEU 19 HN LEU 19 -9.690 4.768 -3.479 146 HA LEU 19 HA LEU 19 -12.237 4.558 -4.727 147 1HB LEU 19 HB2 LEU 19 -10.742 2.861 -2.750 148 2HB LEU 19 HB1 LEU 19 -12.243 2.321 -3.492 149 HG LEU 19 HG LEU 19 -9.822 3.232 -5.075 150 1HD1 LEU 19 HD11 LEU 19 -9.066 1.042 -5.196 151 2HD1 LEU 19 HD12 LEU 19 -10.660 0.365 -4.862 152 3HD1 LEU 19 HD13 LEU 19 -9.703 1.057 -3.552 153 1HD2 LEU 19 HD21 LEU 19 -12.449 1.883 -5.740 154 2HD2 LEU 19 HD22 LEU 19 -11.074 1.848 -6.843 155 3HD2 LEU 19 HD23 LEU 19 -11.807 3.389 -6.396 156 H LYS 20 HN LYS 20 -11.387 4.690 -1.293 157 HA LYS 20 HA LYS 20 -14.066 4.564 -0.286 158 1HB LYS 20 HB2 LYS 20 -11.740 4.188 0.840 159 2HB LYS 20 HB1 LYS 20 -11.741 5.939 1.061 160 1HG LYS 20 HG2 LYS 20 -12.684 4.976 3.053 161 2HG LYS 20 HG1 LYS 20 -14.017 5.698 2.146 162 1HD LYS 20 HD2 LYS 20 -14.724 3.570 1.306 163 2HD LYS 20 HD1 LYS 20 -13.244 2.786 1.857 164 1HE LYS 20 HE2 LYS 20 -13.907 2.830 4.116 165 2HE LYS 20 HE1 LYS 20 -15.075 4.138 3.843 166 1HZ LYS 20 HZ1 LYS 20 -16.209 2.008 3.994 167 2HZ LYS 20 HZ2 LYS 20 -15.254 1.383 2.734 168 3HZ LYS 20 HZ3 LYS 20 -16.355 2.641 2.427 169 H ALA 21 HN ALA 21 -11.860 7.182 -1.147 170 HA ALA 21 HA ALA 21 -13.473 9.407 -0.325 171 1HB ALA 21 HB1 ALA 21 -11.123 9.635 -0.902 172 2HB ALA 21 HB2 ALA 21 -12.046 10.585 -2.067 173 3HB ALA 21 HB3 ALA 21 -11.413 9.003 -2.522 174 H LYS 22 HN LYS 22 -13.483 7.304 -3.146 175 HA LYS 22 HA LYS 22 -15.443 8.953 -4.617 176 1HB LYS 22 HB2 LYS 22 -14.073 6.290 -5.055 177 2HB LYS 22 HB1 LYS 22 -15.267 6.935 -6.182 178 1HG LYS 22 HG2 LYS 22 -13.916 8.948 -6.513 179 2HG LYS 22 HG1 LYS 22 -12.743 8.384 -5.324 180 1HD LYS 22 HD2 LYS 22 -11.848 7.849 -7.490 181 2HD LYS 22 HD1 LYS 22 -12.410 6.334 -6.783 182 1HE LYS 22 HE2 LYS 22 -14.470 6.428 -8.086 183 2HE LYS 22 HE1 LYS 22 -14.028 8.026 -8.721 184 1HZ LYS 22 HZ1 LYS 22 -13.343 6.346 -10.285 185 2HZ LYS 22 HZ2 LYS 22 -12.504 5.499 -9.075 186 3HZ LYS 22 HZ3 LYS 22 -11.962 7.030 -9.576 187 H LYS 23 HN LYS 23 -15.876 7.219 -1.904 188 HA LYS 23 HA LYS 23 -17.716 6.156 -0.911 189 1HB LYS 23 HB2 LYS 23 -19.052 7.282 -3.380 190 2HB LYS 23 HB1 LYS 23 -19.905 6.679 -1.964 191 1HG LYS 23 HG2 LYS 23 -18.745 8.361 -0.559 192 2HG LYS 23 HG1 LYS 23 -17.939 8.990 -1.996 193 1HD LYS 23 HD2 LYS 23 -20.952 8.838 -1.736 194 2HD LYS 23 HD1 LYS 23 -20.018 10.266 -1.286 195 1HE LYS 23 HE2 LYS 23 -19.002 10.108 -3.671 196 2HE LYS 23 HE1 LYS 23 -20.384 9.052 -4.026 197 1HZ LYS 23 HZ1 LYS 23 -20.877 11.430 -4.402 198 2HZ LYS 23 HZ2 LYS 23 -20.593 11.729 -2.754 199 3HZ LYS 23 HZ3 LYS 23 -21.881 10.728 -3.230 200 H ALA 24 HN ALA 24 -16.073 4.822 -3.170 201 HA ALA 24 HA ALA 24 -17.703 3.001 -4.631 202 1HB ALA 24 HB1 ALA 24 -15.655 2.269 -5.311 203 2HB ALA 24 HB2 ALA 24 -15.125 1.959 -3.659 204 3HB ALA 24 HB3 ALA 24 -15.016 3.586 -4.329 205 HA PRO 25 HA PRO 25 -19.086 0.095 -1.628 206 1HB PRO 25 HB2 PRO 25 -18.717 -2.330 -2.843 207 2HB PRO 25 HB1 PRO 25 -19.986 -1.187 -3.326 208 1HG PRO 25 HG2 PRO 25 -17.327 -1.698 -4.572 209 2HG PRO 25 HG1 PRO 25 -18.896 -1.411 -5.342 210 1HD PRO 25 HD2 PRO 25 -16.989 0.503 -5.129 211 2HD PRO 25 HD1 PRO 25 -18.730 0.869 -5.138 212 H LYS 26 HN LYS 26 -18.386 -1.603 -0.110 213 HA LYS 26 HA LYS 26 -15.734 -1.370 0.861 214 1HB LYS 26 HB2 LYS 26 -17.902 -3.472 1.157 215 2HB LYS 26 HB1 LYS 26 -16.407 -3.522 2.096 216 1HG LYS 26 HG2 LYS 26 -16.873 -1.379 3.097 217 2HG LYS 26 HG1 LYS 26 -18.231 -1.104 2.007 218 1HD LYS 26 HD2 LYS 26 -19.125 -1.800 4.144 219 2HD LYS 26 HD1 LYS 26 -19.350 -3.128 3.007 220 1HE LYS 26 HE2 LYS 26 -17.803 -4.476 4.070 221 2HE LYS 26 HE1 LYS 26 -16.808 -3.100 4.584 222 1HZ LYS 26 HZ1 LYS 26 -19.527 -3.677 5.635 223 2HZ LYS 26 HZ2 LYS 26 -18.457 -2.478 6.182 224 3HZ LYS 26 HZ3 LYS 26 -18.094 -4.120 6.427 225 H GLU 27 HN GLU 27 -17.037 -3.439 -1.663 226 HA GLU 27 HA GLU 27 -15.028 -5.461 -1.747 227 1HB GLU 27 HB2 GLU 27 -16.767 -4.159 -3.858 228 2HB GLU 27 HB1 GLU 27 -15.765 -5.576 -4.181 229 1HG GLU 27 HG2 GLU 27 -16.933 -6.873 -2.516 230 2HG GLU 27 HG1 GLU 27 -17.809 -5.451 -1.953 231 H ASP 28 HN ASP 28 -15.139 -2.211 -3.210 232 HA ASP 28 HA ASP 28 -12.672 -2.444 -4.699 233 1HB ASP 28 HB2 ASP 28 -14.492 -0.259 -3.737 234 2HB ASP 28 HB1 ASP 28 -12.941 0.172 -4.460 235 H VAL 29 HN VAL 29 -13.409 -0.837 -1.565 236 HA VAL 29 HA VAL 29 -10.707 -0.026 -1.050 237 HB VAL 29 HB VAL 29 -12.897 0.804 -0.041 238 1HG1 VAL 29 HG11 VAL 29 -13.795 -1.403 0.577 239 2HG1 VAL 29 HG12 VAL 29 -13.757 -0.290 1.936 240 3HG1 VAL 29 HG13 VAL 29 -12.539 -1.560 1.800 241 1HG2 VAL 29 HG21 VAL 29 -10.659 1.453 0.814 242 2HG2 VAL 29 HG22 VAL 29 -10.693 0.066 1.902 243 3HG2 VAL 29 HG23 VAL 29 -11.859 1.374 2.103 244 H ASP 30 HN ASP 30 -12.551 -2.883 -0.033 245 HA ASP 30 HA ASP 30 -10.592 -4.079 1.651 246 1HB ASP 30 HB2 ASP 30 -12.781 -5.179 -0.128 247 2HB ASP 30 HB1 ASP 30 -11.882 -6.183 1.012 248 H ALA 31 HN ALA 31 -11.111 -4.383 -1.864 249 HA ALA 31 HA ALA 31 -9.137 -6.385 -2.371 250 1HB ALA 31 HB1 ALA 31 -10.701 -5.956 -4.074 251 2HB ALA 31 HB2 ALA 31 -9.238 -5.200 -4.704 252 3HB ALA 31 HB3 ALA 31 -10.490 -4.209 -3.954 253 H ALA 32 HN ALA 32 -8.920 -2.832 -2.649 254 HA ALA 32 HA ALA 32 -6.136 -2.769 -3.370 255 1HB ALA 32 HB1 ALA 32 -7.499 -0.871 -3.825 256 2HB ALA 32 HB2 ALA 32 -6.449 -0.339 -2.514 257 3HB ALA 32 HB3 ALA 32 -8.114 -0.812 -2.174 258 H VAL 33 HN VAL 33 -7.783 -2.513 -0.191 259 HA VAL 33 HA VAL 33 -5.333 -2.085 1.302 260 HB VAL 33 HB VAL 33 -7.949 -1.785 1.839 261 1HG1 VAL 33 HG11 VAL 33 -8.617 -3.482 3.584 262 2HG1 VAL 33 HG12 VAL 33 -7.321 -4.514 2.990 263 3HG1 VAL 33 HG13 VAL 33 -8.658 -4.073 1.929 264 1HG2 VAL 33 HG21 VAL 33 -6.141 -0.899 3.198 265 2HG2 VAL 33 HG22 VAL 33 -5.820 -2.500 3.865 266 3HG2 VAL 33 HG23 VAL 33 -7.330 -1.673 4.247 267 H LYS 34 HN LYS 34 -7.198 -4.940 0.287 268 HA LYS 34 HA LYS 34 -5.678 -6.953 1.660 269 1HB LYS 34 HB2 LYS 34 -7.868 -7.277 0.503 270 2HB LYS 34 HB1 LYS 34 -7.066 -7.017 -1.046 271 1HG LYS 34 HG2 LYS 34 -5.612 -8.962 -0.631 272 2HG LYS 34 HG1 LYS 34 -6.403 -9.227 0.923 273 1HD LYS 34 HD2 LYS 34 -8.563 -9.557 -0.237 274 2HD LYS 34 HD1 LYS 34 -7.761 -9.313 -1.789 275 1HE LYS 34 HE2 LYS 34 -6.496 -11.322 -1.576 276 2HE LYS 34 HE1 LYS 34 -6.860 -11.453 0.156 277 1HZ LYS 34 HZ1 LYS 34 -9.149 -11.802 -0.312 278 2HZ LYS 34 HZ2 LYS 34 -8.279 -12.881 -1.295 279 3HZ LYS 34 HZ3 LYS 34 -8.940 -11.464 -1.962 280 H GLN 35 HN GLN 35 -5.364 -5.481 -1.567 281 HA GLN 35 HA GLN 35 -2.983 -6.874 -2.397 282 1HB GLN 35 HB2 GLN 35 -4.728 -5.352 -3.679 283 2HB GLN 35 HB1 GLN 35 -3.696 -4.032 -3.139 284 1HG GLN 35 HG2 GLN 35 -1.786 -4.907 -4.277 285 2HG GLN 35 HG1 GLN 35 -2.596 -6.439 -4.602 286 1HE2 GLN 35 HE21 GLN 35 -1.578 -5.143 -6.817 287 2HE2 GLN 35 HE22 GLN 35 -2.826 -4.440 -7.729 288 H LEU 36 HN LEU 36 -3.619 -3.843 -0.726 289 HA LEU 36 HA LEU 36 -0.968 -2.828 -0.508 290 1HB LEU 36 HB2 LEU 36 -2.923 -1.485 -0.112 291 2HB LEU 36 HB1 LEU 36 -3.488 -2.576 1.140 292 HG LEU 36 HG LEU 36 -1.749 -1.904 2.636 293 1HD1 LEU 36 HD11 LEU 36 -0.620 -0.474 0.219 294 2HD1 LEU 36 HD12 LEU 36 0.187 -1.643 1.264 295 3HD1 LEU 36 HD13 LEU 36 -0.158 -0.019 1.858 296 1HD2 LEU 36 HD21 LEU 36 -3.419 -0.335 2.892 297 2HD2 LEU 36 HD22 LEU 36 -3.275 0.241 1.230 298 3HD2 LEU 36 HD23 LEU 36 -2.081 0.720 2.437 299 H LEU 37 HN LEU 37 -2.784 -5.068 1.613 300 HA LEU 37 HA LEU 37 -0.873 -5.242 3.719 301 1HB LEU 37 HB2 LEU 37 -2.905 -7.141 2.577 302 2HB LEU 37 HB1 LEU 37 -1.993 -7.516 4.035 303 HG LEU 37 HG LEU 37 -3.617 -4.984 3.693 304 1HD1 LEU 37 HD11 LEU 37 -4.357 -7.682 4.841 305 2HD1 LEU 37 HD12 LEU 37 -5.246 -6.720 3.661 306 3HD1 LEU 37 HD13 LEU 37 -5.175 -6.205 5.346 307 1HD2 LEU 37 HD21 LEU 37 -2.002 -4.653 5.373 308 2HD2 LEU 37 HD22 LEU 37 -2.105 -6.323 5.928 309 3HD2 LEU 37 HD23 LEU 37 -3.414 -5.195 6.282 310 H SER 38 HN SER 38 -1.146 -7.012 0.659 311 HA SER 38 HA SER 38 0.984 -8.877 1.077 312 1HB SER 38 HB2 SER 38 -0.085 -7.531 -1.430 313 2HB SER 38 HB1 SER 38 0.982 -8.932 -1.435 314 HG SER 38 HG SER 38 -0.594 -10.144 -0.536 315 H LEU 39 HN LEU 39 0.941 -5.523 -0.075 316 HA LEU 39 HA LEU 39 3.635 -5.306 -0.978 317 1HB LEU 39 HB2 LEU 39 1.824 -3.258 0.350 318 2HB LEU 39 HB1 LEU 39 3.247 -2.880 -0.615 319 HG LEU 39 HG LEU 39 0.789 -4.355 -1.614 320 1HD1 LEU 39 HD11 LEU 39 1.520 -1.811 -2.871 321 2HD1 LEU 39 HD12 LEU 39 1.066 -1.644 -1.175 322 3HD1 LEU 39 HD13 LEU 39 -0.050 -2.387 -2.318 323 1HD2 LEU 39 HD21 LEU 39 2.726 -5.132 -2.815 324 2HD2 LEU 39 HD22 LEU 39 3.354 -3.490 -2.975 325 3HD2 LEU 39 HD23 LEU 39 1.903 -3.969 -3.854 326 H LYS 40 HN LYS 40 2.310 -4.324 2.241 327 HA LYS 40 HA LYS 40 4.879 -3.825 3.417 328 1HB LYS 40 HB2 LYS 40 3.603 -3.941 5.536 329 2HB LYS 40 HB1 LYS 40 2.733 -3.032 4.319 330 1HG LYS 40 HG2 LYS 40 1.306 -4.931 3.832 331 2HG LYS 40 HG1 LYS 40 2.218 -5.942 4.955 332 1HD LYS 40 HD2 LYS 40 1.077 -3.374 5.968 333 2HD LYS 40 HD1 LYS 40 -0.025 -4.728 5.709 334 1HE LYS 40 HE2 LYS 40 1.482 -6.162 7.127 335 2HE LYS 40 HE1 LYS 40 2.446 -4.714 7.484 336 1HZ LYS 40 HZ1 LYS 40 0.463 -3.615 8.292 337 2HZ LYS 40 HZ2 LYS 40 0.699 -5.064 9.150 338 3HZ LYS 40 HZ3 LYS 40 -0.483 -4.976 7.932 339 H ALA 41 HN ALA 41 2.886 -6.690 3.123 340 HA ALA 41 HA ALA 41 4.297 -8.444 4.873 341 1HB ALA 41 HB1 ALA 41 2.366 -9.442 4.196 342 2HB ALA 41 HB2 ALA 41 3.330 -10.042 2.846 343 3HB ALA 41 HB3 ALA 41 2.359 -8.582 2.656 344 H GLU 42 HN GLU 42 4.807 -7.788 1.361 345 HA GLU 42 HA GLU 42 6.913 -9.684 0.955 346 1HB GLU 42 HB2 GLU 42 6.240 -6.995 -0.281 347 2HB GLU 42 HB1 GLU 42 7.503 -8.048 -0.921 348 1HG GLU 42 HG2 GLU 42 5.900 -9.820 -1.338 349 2HG GLU 42 HG1 GLU 42 4.627 -8.921 -0.521 350 H TYR 43 HN TYR 43 7.044 -6.229 1.874 351 HA TYR 43 HA TYR 43 9.890 -6.048 2.176 352 1HB TYR 43 HB2 TYR 43 7.641 -4.402 2.395 353 2HB TYR 43 HB1 TYR 43 8.286 -4.433 4.039 354 HD1 TYR 43 HD1 TYR 43 9.628 -2.568 4.456 355 HD2 TYR 43 HD2 TYR 43 9.839 -4.484 0.615 356 HE1 TYR 43 HE1 TYR 43 11.423 -1.000 3.767 357 HE2 TYR 43 HE2 TYR 43 11.631 -2.914 -0.073 358 HH TYR 43 HH TYR 43 13.259 -0.907 2.163 359 H LYS 44 HN LYS 44 7.293 -7.009 4.385 360 HA LYS 44 HA LYS 44 8.773 -7.228 6.808 361 1HB LYS 44 HB2 LYS 44 6.298 -7.291 6.545 362 2HB LYS 44 HB1 LYS 44 6.436 -8.886 5.804 363 1HG LYS 44 HG2 LYS 44 7.404 -9.804 7.842 364 2HG LYS 44 HG1 LYS 44 7.431 -8.205 8.586 365 1HD LYS 44 HD2 LYS 44 5.491 -9.399 9.419 366 2HD LYS 44 HD1 LYS 44 4.934 -8.117 8.341 367 1HE LYS 44 HE2 LYS 44 4.643 -9.703 6.513 368 2HE LYS 44 HE1 LYS 44 5.340 -11.008 7.493 369 1HZ LYS 44 HZ1 LYS 44 2.924 -9.428 8.212 370 2HZ LYS 44 HZ2 LYS 44 3.591 -10.700 9.120 371 3HZ LYS 44 HZ3 LYS 44 2.904 -11.008 7.597 372 H GLU 45 HN GLU 45 8.606 -9.378 4.021 373 HA GLU 45 HA GLU 45 9.441 -11.831 5.139 374 1HB GLU 45 HB2 GLU 45 10.009 -10.489 2.485 375 2HB GLU 45 HB1 GLU 45 10.412 -12.170 2.813 376 1HG GLU 45 HG2 GLU 45 8.057 -12.657 3.325 377 2HG GLU 45 HG1 GLU 45 7.639 -10.970 3.037 378 H LYS 46 HN LYS 46 11.428 -9.019 4.188 379 HA LYS 46 HA LYS 46 13.996 -10.251 4.499 380 1HB LYS 46 HB2 LYS 46 12.976 -7.410 4.803 381 2HB LYS 46 HB1 LYS 46 14.689 -7.822 4.814 382 1HG LYS 46 HG2 LYS 46 14.467 -8.822 2.570 383 2HG LYS 46 HG1 LYS 46 12.751 -8.410 2.556 384 1HD LYS 46 HD2 LYS 46 13.323 -6.018 2.780 385 2HD LYS 46 HD1 LYS 46 15.038 -6.434 2.784 386 1HE LYS 46 HE2 LYS 46 14.961 -7.209 0.521 387 2HE LYS 46 HE1 LYS 46 13.187 -7.192 0.507 388 1HZ LYS 46 HZ1 LYS 46 14.801 -4.769 1.069 389 2HZ LYS 46 HZ2 LYS 46 13.146 -4.860 0.696 390 3HZ LYS 46 HZ3 LYS 46 14.309 -5.182 -0.500 391 H THR 47 HN THR 47 12.849 -7.727 6.754 392 HA THR 47 HA THR 47 13.096 -9.467 9.103 393 HB THR 47 HB THR 47 15.440 -9.035 8.526 394 HG1 THR 47 HG1 THR 47 15.125 -9.058 10.690 395 1HG2 THR 47 HG21 THR 47 16.348 -6.849 8.259 396 2HG2 THR 47 HG22 THR 47 14.880 -6.085 8.869 397 3HG2 THR 47 HG23 THR 47 14.876 -6.865 7.287 398 H GLY 48 HN GLY 48 10.988 -7.786 8.067 399 1HA GLY 48 HA2 GLY 48 9.402 -6.290 8.960 400 2HA GLY 48 HA1 GLY 48 10.369 -6.233 10.433 401 H GLN 49 HN GLN 49 10.590 -5.114 7.032 402 HA GLN 49 HA GLN 49 12.278 -2.839 7.837 403 1HB GLN 49 HB2 GLN 49 11.170 -3.973 5.273 404 2HB GLN 49 HB1 GLN 49 11.994 -2.413 5.295 405 1HG GLN 49 HG2 GLN 49 13.190 -4.967 6.400 406 2HG GLN 49 HG1 GLN 49 13.518 -4.343 4.782 407 1HE2 GLN 49 HE21 GLN 49 15.205 -4.545 7.440 408 2HE2 GLN 49 HE22 GLN 49 15.888 -2.997 7.569 409 H GLU 50 HN GLU 50 8.885 -3.423 7.228 410 HA GLU 50 HA GLU 50 7.060 -1.945 6.828 411 1HB GLU 50 HB2 GLU 50 6.854 -0.503 8.890 412 2HB GLU 50 HB1 GLU 50 7.215 -2.198 9.201 413 1HG GLU 50 HG2 GLU 50 9.554 -1.689 9.600 414 2HG GLU 50 HG1 GLU 50 9.319 -0.013 9.119 415 H TYR 51 HN TYR 51 7.484 -0.800 4.879 416 HA TYR 51 HA TYR 51 9.270 1.371 4.533 417 1HB TYR 51 HB2 TYR 51 7.877 1.858 2.564 418 2HB TYR 51 HB1 TYR 51 8.083 0.117 2.742 419 HD1 TYR 51 HD1 TYR 51 6.202 -1.311 3.444 420 HD2 TYR 51 HD2 TYR 51 5.730 2.933 3.008 421 HE1 TYR 51 HE1 TYR 51 3.740 -1.570 3.530 422 HE2 TYR 51 HE2 TYR 51 3.266 2.672 3.099 423 HH TYR 51 HH TYR 51 1.686 0.579 4.273 424 H LYS 52 HN LYS 52 9.143 3.548 4.992 425 HA LYS 52 HA LYS 52 7.340 4.522 7.009 426 1HB LYS 52 HB2 LYS 52 9.328 5.711 5.078 427 2HB LYS 52 HB1 LYS 52 8.383 6.759 6.133 428 1HG LYS 52 HG2 LYS 52 9.894 4.393 7.232 429 2HG LYS 52 HG1 LYS 52 10.687 5.950 6.996 430 1HD LYS 52 HD2 LYS 52 8.788 6.983 8.341 431 2HD LYS 52 HD1 LYS 52 8.306 5.339 8.758 432 1HE LYS 52 HE2 LYS 52 10.974 5.224 9.328 433 2HE LYS 52 HE1 LYS 52 10.618 6.917 9.727 434 1HZ LYS 52 HZ1 LYS 52 9.109 4.534 10.669 435 2HZ LYS 52 HZ2 LYS 52 8.669 6.147 10.975 436 3HZ LYS 52 HZ3 LYS 52 10.112 5.521 11.616 437 HA PRO 53 HA PRO 53 3.847 5.830 4.724 438 1HB PRO 53 HB2 PRO 53 3.403 8.434 5.497 439 2HB PRO 53 HB1 PRO 53 3.019 7.026 6.508 440 1HG PRO 53 HG2 PRO 53 5.424 8.799 6.578 441 2HG PRO 53 HG1 PRO 53 4.454 8.164 7.921 442 1HD PRO 53 HD2 PRO 53 6.802 7.056 7.258 443 2HD PRO 53 HD1 PRO 53 5.435 6.062 7.815 444 H GLY 54 HN GLY 54 6.599 8.080 4.538 445 1HA GLY 54 HA2 GLY 54 5.652 9.221 2.000 446 2HA GLY 54 HA1 GLY 54 7.213 9.517 2.751 447 H ASN 55 HN ASN 55 6.975 6.223 2.790 448 HA ASN 55 HA ASN 55 8.077 4.554 1.524 449 1HB ASN 55 HB2 ASN 55 6.590 6.235 -0.507 450 2HB ASN 55 HB1 ASN 55 7.354 4.697 -0.923 451 1HD2 ASN 55 HD21 ASN 55 4.466 6.063 0.197 452 2HD2 ASN 55 HD22 ASN 55 3.760 4.659 0.854 453 HA PRO 56 HA PRO 56 11.324 7.708 0.026 454 1HB PRO 56 HB2 PRO 56 13.110 7.485 2.098 455 2HB PRO 56 HB1 PRO 56 11.840 8.721 2.028 456 1HG PRO 56 HG2 PRO 56 11.924 6.178 3.557 457 2HG PRO 56 HG1 PRO 56 11.241 7.747 4.008 458 1HD PRO 56 HD2 PRO 56 9.747 5.621 3.163 459 2HD PRO 56 HD1 PRO 56 9.246 7.317 2.982 460 HA PRO 57 HA PRO 57 13.607 4.217 -1.470 461 1HB PRO 57 HB2 PRO 57 15.873 5.464 -2.377 462 2HB PRO 57 HB1 PRO 57 14.319 5.538 -3.232 463 1HG PRO 57 HG2 PRO 57 15.556 7.538 -1.389 464 2HG PRO 57 HG1 PRO 57 14.721 7.795 -2.931 465 1HD PRO 57 HD2 PRO 57 13.498 8.217 -0.572 466 2HD PRO 57 HD1 PRO 57 12.626 7.583 -1.988 Start of MODEL 6 1 2H ASP 1 HN2 ASP 1 16.424 -1.918 -5.902 2 H ASP 1 H ASP 1 17.820 -1.394 -6.716 3 HA ASP 1 HA ASP 1 17.889 0.505 -5.026 4 1HB ASP 1 HB2 ASP 1 15.797 0.119 -7.187 5 2HB ASP 1 HB1 ASP 1 16.134 1.688 -6.455 6 H SER 2 HN SER 2 17.160 0.512 -2.924 7 HA SER 2 HA SER 2 14.647 -0.572 -2.035 8 1HB SER 2 HB2 SER 2 16.552 1.451 -0.820 9 2HB SER 2 HB1 SER 2 15.272 0.623 0.064 10 HG SER 2 HG SER 2 16.819 -0.798 0.358 11 H LEU 3 HN LEU 3 15.686 2.735 -2.859 12 HA LEU 3 HA LEU 3 13.387 4.150 -1.971 13 1HB LEU 3 HB2 LEU 3 15.658 4.986 -2.758 14 2HB LEU 3 HB1 LEU 3 15.060 4.787 -4.403 15 HG LEU 3 HG LEU 3 13.395 6.309 -2.429 16 1HD1 LEU 3 HD11 LEU 3 14.583 8.334 -2.787 17 2HD1 LEU 3 HD12 LEU 3 15.558 7.627 -4.075 18 3HD1 LEU 3 HD13 LEU 3 15.824 7.142 -2.401 19 1HD2 LEU 3 HD21 LEU 3 13.475 7.507 -4.991 20 2HD2 LEU 3 HD22 LEU 3 12.174 6.530 -4.314 21 3HD2 LEU 3 HD23 LEU 3 13.435 5.768 -5.281 22 H VAL 4 HN VAL 4 14.062 2.963 -5.311 23 HA VAL 4 HA VAL 4 11.622 3.861 -6.466 24 HB VAL 4 HB VAL 4 13.622 3.042 -7.676 25 1HG1 VAL 4 HG11 VAL 4 12.682 0.298 -6.830 26 2HG1 VAL 4 HG12 VAL 4 14.129 1.116 -6.247 27 3HG1 VAL 4 HG13 VAL 4 14.009 0.644 -7.937 28 1HG2 VAL 4 HG21 VAL 4 11.399 3.158 -8.781 29 2HG2 VAL 4 HG22 VAL 4 11.112 1.479 -8.322 30 3HG2 VAL 4 HG23 VAL 4 12.406 1.875 -9.452 31 H LEU 5 HN LEU 5 12.400 0.848 -4.808 32 HA LEU 5 HA LEU 5 9.973 -0.580 -5.259 33 1HB LEU 5 HB2 LEU 5 12.279 -1.178 -4.115 34 2HB LEU 5 HB1 LEU 5 11.465 -0.662 -2.640 35 HG LEU 5 HG LEU 5 11.226 -3.091 -2.959 36 1HD1 LEU 5 HD11 LEU 5 8.530 -1.899 -3.578 37 2HD1 LEU 5 HD12 LEU 5 9.340 -1.548 -2.054 38 3HD1 LEU 5 HD13 LEU 5 8.931 -3.212 -2.469 39 1HD2 LEU 5 HD21 LEU 5 10.914 -3.967 -5.012 40 2HD2 LEU 5 HD22 LEU 5 10.869 -2.340 -5.687 41 3HD2 LEU 5 HD23 LEU 5 9.376 -3.120 -5.167 42 H TYR 6 HN TYR 6 10.852 1.809 -2.777 43 HA TYR 6 HA TYR 6 8.506 1.685 -1.161 44 1HB TYR 6 HB2 TYR 6 10.773 3.486 -1.687 45 2HB TYR 6 HB1 TYR 6 9.325 4.334 -1.159 46 HD1 TYR 6 HD1 TYR 6 11.853 1.811 -0.230 47 HD2 TYR 6 HD2 TYR 6 8.400 4.015 1.046 48 HE1 TYR 6 HE1 TYR 6 12.289 1.130 2.113 49 HE2 TYR 6 HE2 TYR 6 8.834 3.337 3.389 50 HH TYR 6 HH TYR 6 10.064 1.324 4.521 51 H ASN 7 HN ASN 7 9.184 3.497 -4.164 52 HA ASN 7 HA ASN 7 6.851 5.136 -4.230 53 1HB ASN 7 HB2 ASN 7 8.382 3.806 -6.496 54 2HB ASN 7 HB1 ASN 7 7.333 5.213 -6.655 55 1HD2 ASN 7 HD21 ASN 7 10.037 5.473 -7.415 56 2HD2 ASN 7 HD22 ASN 7 10.849 6.453 -6.291 57 H ARG 8 HN ARG 8 7.417 1.830 -5.403 58 HA ARG 8 HA ARG 8 4.943 1.382 -6.730 59 1HB ARG 8 HB2 ARG 8 6.978 -0.029 -6.850 60 2HB ARG 8 HB1 ARG 8 6.720 -0.528 -5.178 61 1HG ARG 8 HG2 ARG 8 4.571 -1.544 -5.783 62 2HG ARG 8 HG1 ARG 8 4.757 -0.986 -7.445 63 1HD ARG 8 HD2 ARG 8 5.440 -3.322 -7.355 64 2HD ARG 8 HD1 ARG 8 6.904 -2.340 -7.560 65 HE ARG 8 HE ARG 8 6.659 -2.465 -4.829 66 1HH1 ARG 8 HH11 ARG 8 8.258 -4.229 -7.021 67 2HH1 ARG 8 HH12 ARG 8 8.171 -5.754 -6.204 68 1HH2 ARG 8 HH21 ARG 8 5.829 -4.675 -3.885 69 2HH2 ARG 8 HH22 ARG 8 6.805 -6.003 -4.418 70 H VAL 9 HN VAL 9 5.850 0.604 -3.332 71 HA VAL 9 HA VAL 9 3.243 -0.375 -2.616 72 HB VAL 9 HB VAL 9 4.148 -0.237 -0.324 73 1HG1 VAL 9 HG11 VAL 9 6.572 -1.014 -1.852 74 2HG1 VAL 9 HG12 VAL 9 5.072 -1.804 -2.327 75 3HG1 VAL 9 HG13 VAL 9 5.647 -1.930 -0.664 76 1HG2 VAL 9 HG21 VAL 9 6.563 1.142 -1.512 77 2HG2 VAL 9 HG22 VAL 9 6.243 0.816 0.186 78 3HG2 VAL 9 HG23 VAL 9 5.289 2.017 -0.667 79 H ALA 10 HN ALA 10 4.777 2.815 -2.392 80 HA ALA 10 HA ALA 10 2.745 4.185 -0.928 81 1HB ALA 10 HB1 ALA 10 4.529 5.576 -1.119 82 2HB ALA 10 HB2 ALA 10 3.855 6.028 -2.684 83 3HB ALA 10 HB3 ALA 10 5.090 4.774 -2.585 84 H VAL 11 HN VAL 11 3.091 3.496 -4.379 85 HA VAL 11 HA VAL 11 0.998 5.153 -5.380 86 HB VAL 11 HB VAL 11 2.164 2.484 -6.243 87 1HG1 VAL 11 HG11 VAL 11 1.283 3.329 -8.556 88 2HG1 VAL 11 HG12 VAL 11 0.149 4.268 -7.585 89 3HG1 VAL 11 HG13 VAL 11 0.167 2.509 -7.464 90 1HG2 VAL 11 HG21 VAL 11 2.726 4.890 -7.829 91 2HG2 VAL 11 HG22 VAL 11 3.839 3.692 -7.172 92 3HG2 VAL 11 HG23 VAL 11 3.283 5.024 -6.161 93 H GLN 12 HN GLN 12 0.878 1.692 -4.382 94 HA GLN 12 HA GLN 12 -1.941 1.351 -4.789 95 1HB GLN 12 HB2 GLN 12 -0.170 -0.412 -4.468 96 2HB GLN 12 HB1 GLN 12 -0.126 0.012 -2.757 97 1HG GLN 12 HG2 GLN 12 -1.600 -1.912 -3.080 98 2HG GLN 12 HG1 GLN 12 -2.559 -0.512 -2.598 99 1HE2 GLN 12 HE21 GLN 12 -4.351 -0.116 -3.896 100 2HE2 GLN 12 HE22 GLN 12 -4.532 -0.642 -5.500 101 H GLY 13 HN GLY 13 -0.168 1.866 -1.720 102 1HA GLY 13 HA2 GLY 13 -2.047 2.101 0.212 103 2HA GLY 13 HA1 GLY 13 -0.734 3.288 0.109 104 H ASP 14 HN ASP 14 -1.274 4.847 -1.926 105 HA ASP 14 HA ASP 14 -3.296 6.638 -1.005 106 1HB ASP 14 HB2 ASP 14 -1.794 6.314 -3.615 107 2HB ASP 14 HB1 ASP 14 -2.834 7.698 -3.276 108 H VAL 15 HN VAL 15 -3.366 4.176 -3.594 109 HA VAL 15 HA VAL 15 -5.848 4.902 -4.788 110 HB VAL 15 HB VAL 15 -4.473 2.222 -4.389 111 1HG1 VAL 15 HG11 VAL 15 -6.641 1.589 -5.014 112 2HG1 VAL 15 HG12 VAL 15 -5.805 1.701 -6.562 113 3HG1 VAL 15 HG13 VAL 15 -6.865 3.010 -6.035 114 1HG2 VAL 15 HG21 VAL 15 -3.531 4.367 -5.725 115 2HG2 VAL 15 HG22 VAL 15 -4.525 3.651 -6.994 116 3HG2 VAL 15 HG23 VAL 15 -3.231 2.711 -6.251 117 H VAL 16 HN VAL 16 -5.153 2.804 -1.976 118 HA VAL 16 HA VAL 16 -7.825 1.898 -1.481 119 HB VAL 16 HB VAL 16 -5.422 2.444 0.298 120 1HG1 VAL 16 HG11 VAL 16 -7.940 0.889 0.974 121 2HG1 VAL 16 HG12 VAL 16 -7.499 2.453 1.657 122 3HG1 VAL 16 HG13 VAL 16 -6.508 1.033 1.993 123 1HG2 VAL 16 HG21 VAL 16 -6.577 -0.176 -0.690 124 2HG2 VAL 16 HG22 VAL 16 -5.018 0.081 0.093 125 3HG2 VAL 16 HG23 VAL 16 -5.298 0.695 -1.537 126 H ARG 17 HN ARG 17 -6.036 4.711 -0.154 127 HA ARG 17 HA ARG 17 -8.134 5.816 1.424 128 1HB ARG 17 HB2 ARG 17 -5.731 6.455 1.502 129 2HB ARG 17 HB1 ARG 17 -5.886 7.200 -0.090 130 1HG ARG 17 HG2 ARG 17 -7.598 8.749 0.805 131 2HG ARG 17 HG1 ARG 17 -7.431 8.007 2.395 132 1HD ARG 17 HD2 ARG 17 -5.023 8.678 2.431 133 2HD ARG 17 HD1 ARG 17 -5.265 9.509 0.881 134 HE ARG 17 HE ARG 17 -7.268 10.297 2.828 135 1HH1 ARG 17 HH11 ARG 17 -4.867 10.817 4.430 136 2HH1 ARG 17 HH12 ARG 17 -4.369 12.390 3.901 137 1HH2 ARG 17 HH21 ARG 17 -6.266 12.308 1.001 138 2HH2 ARG 17 HH22 ARG 17 -5.164 13.234 1.963 139 H GLU 18 HN GLU 18 -7.241 6.437 -1.987 140 HA GLU 18 HA GLU 18 -9.134 8.483 -2.533 141 1HB GLU 18 HB2 GLU 18 -7.779 6.385 -4.191 142 2HB GLU 18 HB1 GLU 18 -8.822 7.599 -4.919 143 1HG GLU 18 HG2 GLU 18 -7.426 9.378 -3.904 144 2HG GLU 18 HG1 GLU 18 -6.364 8.145 -3.229 145 H LEU 19 HN LEU 19 -9.459 4.947 -2.738 146 HA LEU 19 HA LEU 19 -11.989 4.833 -4.018 147 1HB LEU 19 HB2 LEU 19 -10.601 3.089 -2.005 148 2HB LEU 19 HB1 LEU 19 -12.080 2.597 -2.826 149 HG LEU 19 HG LEU 19 -9.591 3.496 -4.292 150 1HD1 LEU 19 HD11 LEU 19 -9.399 0.984 -4.786 151 2HD1 LEU 19 HD12 LEU 19 -10.498 0.743 -3.428 152 3HD1 LEU 19 HD13 LEU 19 -8.925 1.499 -3.167 153 1HD2 LEU 19 HD21 LEU 19 -11.281 3.643 -5.848 154 2HD2 LEU 19 HD22 LEU 19 -12.291 2.461 -5.016 155 3HD2 LEU 19 HD23 LEU 19 -10.928 1.922 -5.997 156 H LYS 20 HN LYS 20 -11.212 5.126 -0.547 157 HA LYS 20 HA LYS 20 -13.918 4.929 0.382 158 1HB LYS 20 HB2 LYS 20 -11.391 6.178 1.499 159 2HB LYS 20 HB1 LYS 20 -12.882 6.039 2.428 160 1HG LYS 20 HG2 LYS 20 -11.343 3.731 1.200 161 2HG LYS 20 HG1 LYS 20 -11.373 4.148 2.913 162 1HD LYS 20 HD2 LYS 20 -13.979 3.938 2.634 163 2HD LYS 20 HD1 LYS 20 -13.559 2.988 1.207 164 1HE LYS 20 HE2 LYS 20 -13.502 1.267 2.739 165 2HE LYS 20 HE1 LYS 20 -11.866 1.883 3.042 166 1HZ LYS 20 HZ1 LYS 20 -12.717 3.323 4.748 167 2HZ LYS 20 HZ2 LYS 20 -13.226 1.738 5.086 168 3HZ LYS 20 HZ3 LYS 20 -14.314 2.858 4.417 169 H ALA 21 HN ALA 21 -11.850 7.646 -0.551 170 HA ALA 21 HA ALA 21 -13.755 9.728 0.085 171 1HB ALA 21 HB1 ALA 21 -11.149 9.694 -0.493 172 2HB ALA 21 HB2 ALA 21 -12.128 11.112 -0.867 173 3HB ALA 21 HB3 ALA 21 -11.741 9.948 -2.134 174 H LYS 22 HN LYS 22 -13.257 7.517 -2.603 175 HA LYS 22 HA LYS 22 -15.105 8.956 -4.398 176 1HB LYS 22 HB2 LYS 22 -13.556 6.357 -4.509 177 2HB LYS 22 HB1 LYS 22 -14.602 6.905 -5.820 178 1HG LYS 22 HG2 LYS 22 -13.292 8.903 -6.132 179 2HG LYS 22 HG1 LYS 22 -12.350 8.578 -4.678 180 1HD LYS 22 HD2 LYS 22 -11.004 7.888 -6.550 181 2HD LYS 22 HD1 LYS 22 -11.597 6.419 -5.773 182 1HE LYS 22 HE2 LYS 22 -13.157 5.988 -7.485 183 2HE LYS 22 HE1 LYS 22 -13.138 7.671 -8.049 184 1HZ LYS 22 HZ1 LYS 22 -11.782 6.357 -9.514 185 2HZ LYS 22 HZ2 LYS 22 -10.899 5.723 -8.208 186 3HZ LYS 22 HZ3 LYS 22 -10.769 7.369 -8.606 187 H LYS 23 HN LYS 23 -15.755 7.286 -1.668 188 HA LYS 23 HA LYS 23 -17.635 6.108 -0.872 189 1HB LYS 23 HB2 LYS 23 -18.713 7.153 -3.494 190 2HB LYS 23 HB1 LYS 23 -19.706 6.527 -2.184 191 1HG LYS 23 HG2 LYS 23 -18.840 8.272 -0.675 192 2HG LYS 23 HG1 LYS 23 -17.821 8.896 -1.972 193 1HD LYS 23 HD2 LYS 23 -19.796 10.275 -1.888 194 2HD LYS 23 HD1 LYS 23 -19.924 9.264 -3.327 195 1HE LYS 23 HE2 LYS 23 -21.405 7.705 -2.135 196 2HE LYS 23 HE1 LYS 23 -21.244 8.670 -0.654 197 1HZ LYS 23 HZ1 LYS 23 -22.034 10.609 -1.937 198 2HZ LYS 23 HZ2 LYS 23 -23.203 9.381 -1.821 199 3HZ LYS 23 HZ3 LYS 23 -22.329 9.592 -3.262 200 H ALA 24 HN ALA 24 -15.656 4.821 -2.779 201 HA ALA 24 HA ALA 24 -16.945 2.946 -4.504 202 1HB ALA 24 HB1 ALA 24 -14.510 3.533 -4.421 203 2HB ALA 24 HB2 ALA 24 -14.789 1.792 -4.396 204 3HB ALA 24 HB3 ALA 24 -14.381 2.640 -2.905 205 HA PRO 25 HA PRO 25 -18.684 0.029 -1.684 206 1HB PRO 25 HB2 PRO 25 -18.365 -2.326 -3.036 207 2HB PRO 25 HB1 PRO 25 -19.550 -1.095 -3.522 208 1HG PRO 25 HG2 PRO 25 -16.847 -1.664 -4.638 209 2HG PRO 25 HG1 PRO 25 -18.350 -1.254 -5.481 210 1HD PRO 25 HD2 PRO 25 -16.371 0.545 -5.026 211 2HD PRO 25 HD1 PRO 25 -18.085 0.998 -5.134 212 H LYS 26 HN LYS 26 -18.119 -1.965 -0.417 213 HA LYS 26 HA LYS 26 -15.557 -1.867 0.801 214 1HB LYS 26 HB2 LYS 26 -17.689 -4.012 0.554 215 2HB LYS 26 HB1 LYS 26 -16.307 -4.160 1.645 216 1HG LYS 26 HG2 LYS 26 -16.964 -2.057 2.761 217 2HG LYS 26 HG1 LYS 26 -18.346 -1.914 1.674 218 1HD LYS 26 HD2 LYS 26 -19.239 -4.051 2.521 219 2HD LYS 26 HD1 LYS 26 -17.860 -4.197 3.612 220 1HE LYS 26 HE2 LYS 26 -18.553 -1.916 4.567 221 2HE LYS 26 HE1 LYS 26 -20.079 -2.137 3.685 222 1HZ LYS 26 HZ1 LYS 26 -18.896 -4.105 5.572 223 2HZ LYS 26 HZ2 LYS 26 -20.372 -4.270 4.748 224 3HZ LYS 26 HZ3 LYS 26 -20.189 -3.069 5.936 225 H GLU 27 HN GLU 27 -16.726 -3.685 -1.991 226 HA GLU 27 HA GLU 27 -14.621 -5.579 -2.275 227 1HB GLU 27 HB2 GLU 27 -16.437 -4.152 -4.229 228 2HB GLU 27 HB1 GLU 27 -15.355 -5.457 -4.719 229 1HG GLU 27 HG2 GLU 27 -16.433 -7.014 -3.232 230 2HG GLU 27 HG1 GLU 27 -17.375 -5.727 -2.481 231 H ASP 28 HN ASP 28 -14.860 -2.196 -3.438 232 HA ASP 28 HA ASP 28 -12.369 -2.233 -4.920 233 1HB ASP 28 HB2 ASP 28 -14.243 -0.169 -3.784 234 2HB ASP 28 HB1 ASP 28 -12.698 0.345 -4.463 235 H VAL 29 HN VAL 29 -13.262 -1.199 -1.638 236 HA VAL 29 HA VAL 29 -10.651 -0.245 -0.871 237 HB VAL 29 HB VAL 29 -13.045 -1.285 0.686 238 1HG1 VAL 29 HG11 VAL 29 -10.818 0.498 1.710 239 2HG1 VAL 29 HG12 VAL 29 -10.859 -1.244 1.981 240 3HG1 VAL 29 HG13 VAL 29 -12.133 -0.219 2.640 241 1HG2 VAL 29 HG21 VAL 29 -13.819 0.932 0.717 242 2HG2 VAL 29 HG22 VAL 29 -13.175 0.770 -0.917 243 3HG2 VAL 29 HG23 VAL 29 -12.231 1.592 0.325 244 H ASP 30 HN ASP 30 -12.360 -3.320 -0.245 245 HA ASP 30 HA ASP 30 -10.306 -4.631 1.219 246 1HB ASP 30 HB2 ASP 30 -12.525 -5.599 -0.605 247 2HB ASP 30 HB1 ASP 30 -11.557 -6.690 0.389 248 H ALA 31 HN ALA 31 -10.987 -4.729 -2.305 249 HA ALA 31 HA ALA 31 -8.899 -6.537 -3.010 250 1HB ALA 31 HB1 ALA 31 -10.779 -5.937 -4.463 251 2HB ALA 31 HB2 ALA 31 -9.260 -5.571 -5.281 252 3HB ALA 31 HB3 ALA 31 -10.205 -4.272 -4.553 253 H ALA 32 HN ALA 32 -8.910 -2.957 -2.999 254 HA ALA 32 HA ALA 32 -6.186 -2.667 -3.878 255 1HB ALA 32 HB1 ALA 32 -8.018 -0.929 -3.857 256 2HB ALA 32 HB2 ALA 32 -6.498 -0.358 -3.169 257 3HB ALA 32 HB3 ALA 32 -7.828 -0.821 -2.107 258 H VAL 33 HN VAL 33 -7.613 -2.715 -0.582 259 HA VAL 33 HA VAL 33 -5.093 -2.360 0.789 260 HB VAL 33 HB VAL 33 -7.711 -2.258 1.457 261 1HG1 VAL 33 HG11 VAL 33 -6.817 -4.993 2.407 262 2HG1 VAL 33 HG12 VAL 33 -8.272 -4.583 1.497 263 3HG1 VAL 33 HG13 VAL 33 -8.116 -4.086 3.176 264 1HG2 VAL 33 HG21 VAL 33 -5.617 -3.004 3.501 265 2HG2 VAL 33 HG22 VAL 33 -6.996 -1.923 3.705 266 3HG2 VAL 33 HG23 VAL 33 -5.644 -1.443 2.680 267 H LYS 34 HN LYS 34 -6.879 -5.221 -0.378 268 HA LYS 34 HA LYS 34 -5.180 -7.258 0.731 269 1HB LYS 34 HB2 LYS 34 -7.401 -7.608 -0.369 270 2HB LYS 34 HB1 LYS 34 -6.681 -7.162 -1.917 271 1HG LYS 34 HG2 LYS 34 -5.088 -9.047 -1.714 272 2HG LYS 34 HG1 LYS 34 -5.832 -9.501 -0.181 273 1HD LYS 34 HD2 LYS 34 -7.420 -9.283 -2.745 274 2HD LYS 34 HD1 LYS 34 -6.640 -10.783 -2.242 275 1HE LYS 34 HE2 LYS 34 -7.894 -10.661 -0.073 276 2HE LYS 34 HE1 LYS 34 -8.761 -9.246 -0.702 277 1HZ LYS 34 HZ1 LYS 34 -8.599 -11.852 -2.115 278 2HZ LYS 34 HZ2 LYS 34 -9.552 -10.512 -2.543 279 3HZ LYS 34 HZ3 LYS 34 -9.907 -11.396 -1.136 280 H GLN 35 HN GLN 35 -5.115 -5.459 -2.332 281 HA GLN 35 HA GLN 35 -2.725 -6.608 -3.448 282 1HB GLN 35 HB2 GLN 35 -4.613 -5.070 -4.441 283 2HB GLN 35 HB1 GLN 35 -3.650 -3.748 -3.789 284 1HG GLN 35 HG2 GLN 35 -3.020 -4.127 -6.114 285 2HG GLN 35 HG1 GLN 35 -1.680 -4.575 -5.058 286 1HE2 GLN 35 HE21 GLN 35 -0.725 -6.472 -5.798 287 2HE2 GLN 35 HE22 GLN 35 -1.559 -7.797 -6.453 288 H LEU 36 HN LEU 36 -3.364 -3.770 -1.455 289 HA LEU 36 HA LEU 36 -0.726 -2.708 -1.272 290 1HB LEU 36 HB2 LEU 36 -2.637 -1.428 -0.661 291 2HB LEU 36 HB1 LEU 36 -3.209 -2.667 0.443 292 HG LEU 36 HG LEU 36 -1.408 -2.199 1.985 293 1HD1 LEU 36 HD11 LEU 36 0.364 -1.635 0.365 294 2HD1 LEU 36 HD12 LEU 36 0.187 -0.334 1.542 295 3HD1 LEU 36 HD13 LEU 36 -0.496 -0.158 -0.074 296 1HD2 LEU 36 HD21 LEU 36 -2.950 0.184 0.971 297 2HD2 LEU 36 HD22 LEU 36 -1.898 0.304 2.382 298 3HD2 LEU 36 HD23 LEU 36 -3.269 -0.805 2.397 299 H LEU 37 HN LEU 37 -2.414 -5.112 0.759 300 HA LEU 37 HA LEU 37 -0.389 -5.460 2.727 301 1HB LEU 37 HB2 LEU 37 -2.642 -7.057 1.617 302 2HB LEU 37 HB1 LEU 37 -1.537 -7.835 2.750 303 HG LEU 37 HG LEU 37 -2.516 -5.125 3.497 304 1HD1 LEU 37 HD11 LEU 37 -4.279 -7.503 3.104 305 2HD1 LEU 37 HD12 LEU 37 -4.658 -5.787 2.955 306 3HD1 LEU 37 HD13 LEU 37 -4.532 -6.527 4.551 307 1HD2 LEU 37 HD21 LEU 37 -2.211 -7.744 4.999 308 2HD2 LEU 37 HD22 LEU 37 -2.539 -6.169 5.723 309 3HD2 LEU 37 HD23 LEU 37 -0.996 -6.468 4.921 310 H SER 38 HN SER 38 -0.815 -6.996 -0.459 311 HA SER 38 HA SER 38 1.262 -8.951 -0.250 312 1HB SER 38 HB2 SER 38 0.992 -9.118 -2.603 313 2HB SER 38 HB1 SER 38 -0.574 -8.546 -2.040 314 HG SER 38 HG SER 38 0.745 -7.437 -3.871 315 H LEU 39 HN LEU 39 1.321 -5.520 -1.146 316 HA LEU 39 HA LEU 39 4.059 -5.339 -1.995 317 1HB LEU 39 HB2 LEU 39 2.276 -3.317 -0.578 318 2HB LEU 39 HB1 LEU 39 3.701 -2.931 -1.536 319 HG LEU 39 HG LEU 39 1.157 -4.228 -2.572 320 1HD1 LEU 39 HD11 LEU 39 2.123 -1.669 -3.678 321 2HD1 LEU 39 HD12 LEU 39 1.578 -1.590 -2.003 322 3HD1 LEU 39 HD13 LEU 39 0.487 -2.175 -3.259 323 1HD2 LEU 39 HD21 LEU 39 2.555 -3.464 -4.775 324 2HD2 LEU 39 HD22 LEU 39 2.658 -5.085 -4.088 325 3HD2 LEU 39 HD23 LEU 39 3.889 -3.884 -3.700 326 H LYS 40 HN LYS 40 2.527 -4.615 1.128 327 HA LYS 40 HA LYS 40 4.909 -4.189 2.663 328 1HB LYS 40 HB2 LYS 40 2.622 -3.532 3.327 329 2HB LYS 40 HB1 LYS 40 2.157 -5.226 3.426 330 1HG LYS 40 HG2 LYS 40 3.816 -5.594 5.197 331 2HG LYS 40 HG1 LYS 40 4.296 -3.900 5.105 332 1HD LYS 40 HD2 LYS 40 2.010 -3.216 5.721 333 2HD LYS 40 HD1 LYS 40 1.526 -4.911 5.815 334 1HE LYS 40 HE2 LYS 40 3.125 -5.304 7.632 335 2HE LYS 40 HE1 LYS 40 3.703 -3.630 7.509 336 1HZ LYS 40 HZ1 LYS 40 0.872 -4.388 7.987 337 2HZ LYS 40 HZ2 LYS 40 1.526 -2.820 8.012 338 3HZ LYS 40 HZ3 LYS 40 1.950 -3.941 9.216 339 H ALA 41 HN ALA 41 3.024 -7.098 1.906 340 HA ALA 41 HA ALA 41 4.313 -8.953 3.639 341 1HB ALA 41 HB1 ALA 41 2.787 -9.002 1.069 342 2HB ALA 41 HB2 ALA 41 2.415 -9.786 2.604 343 3HB ALA 41 HB3 ALA 41 3.636 -10.476 1.535 344 H GLU 42 HN GLU 42 5.128 -7.945 0.287 345 HA GLU 42 HA GLU 42 7.382 -9.681 -0.085 346 1HB GLU 42 HB2 GLU 42 6.637 -6.921 -1.108 347 2HB GLU 42 HB1 GLU 42 8.030 -7.817 -1.717 348 1HG GLU 42 HG2 GLU 42 5.214 -8.932 -1.692 349 2HG GLU 42 HG1 GLU 42 5.921 -8.107 -3.083 350 H TYR 43 HN TYR 43 7.087 -6.395 1.205 351 HA TYR 43 HA TYR 43 9.833 -5.888 1.806 352 1HB TYR 43 HB2 TYR 43 7.147 -4.858 2.455 353 2HB TYR 43 HB1 TYR 43 8.331 -4.560 3.725 354 HD1 TYR 43 HD1 TYR 43 6.883 -3.026 1.048 355 HD2 TYR 43 HD2 TYR 43 10.805 -4.012 2.497 356 HE1 TYR 43 HE1 TYR 43 7.843 -1.157 -0.272 357 HE2 TYR 43 HE2 TYR 43 11.762 -2.148 1.176 358 HH TYR 43 HH TYR 43 9.780 0.241 -0.337 359 H LYS 44 HN LYS 44 7.232 -7.344 3.751 360 HA LYS 44 HA LYS 44 8.640 -7.674 6.196 361 1HB LYS 44 HB2 LYS 44 6.207 -7.886 5.910 362 2HB LYS 44 HB1 LYS 44 6.438 -9.342 4.941 363 1HG LYS 44 HG2 LYS 44 7.564 -10.417 6.898 364 2HG LYS 44 HG1 LYS 44 7.198 -8.984 7.857 365 1HD LYS 44 HD2 LYS 44 4.809 -9.334 7.558 366 2HD LYS 44 HD1 LYS 44 5.114 -10.688 6.467 367 1HE LYS 44 HE2 LYS 44 6.134 -11.983 8.262 368 2HE LYS 44 HE1 LYS 44 6.004 -10.606 9.374 369 1HZ LYS 44 HZ1 LYS 44 3.608 -10.615 9.049 370 2HZ LYS 44 HZ2 LYS 44 4.131 -12.118 9.642 371 3HZ LYS 44 HZ3 LYS 44 3.731 -11.942 8.000 372 H GLU 45 HN GLU 45 8.719 -9.638 3.265 373 HA GLU 45 HA GLU 45 9.700 -12.083 4.275 374 1HB GLU 45 HB2 GLU 45 10.221 -10.550 1.718 375 2HB GLU 45 HB1 GLU 45 10.751 -12.215 1.957 376 1HG GLU 45 HG2 GLU 45 8.485 -12.975 2.262 377 2HG GLU 45 HG1 GLU 45 7.879 -11.322 2.313 378 H LYS 46 HN LYS 46 11.531 -9.127 3.460 379 HA LYS 46 HA LYS 46 14.145 -10.267 3.893 380 1HB LYS 46 HB2 LYS 46 13.075 -7.430 4.037 381 2HB LYS 46 HB1 LYS 46 14.785 -7.852 3.943 382 1HG LYS 46 HG2 LYS 46 14.386 -9.003 1.793 383 2HG LYS 46 HG1 LYS 46 12.677 -8.575 1.886 384 1HD LYS 46 HD2 LYS 46 13.272 -6.181 1.882 385 2HD LYS 46 HD1 LYS 46 14.980 -6.609 1.786 386 1HE LYS 46 HE2 LYS 46 14.265 -6.129 -0.470 387 2HE LYS 46 HE1 LYS 46 14.396 -7.895 -0.358 388 1HZ LYS 46 HZ1 LYS 46 12.248 -7.093 -1.307 389 2HZ LYS 46 HZ2 LYS 46 11.898 -6.388 0.199 390 3HZ LYS 46 HZ3 LYS 46 12.074 -8.073 0.066 391 H THR 47 HN THR 47 12.446 -7.858 5.958 392 HA THR 47 HA THR 47 12.978 -9.364 8.400 393 HB THR 47 HB THR 47 15.221 -8.486 7.731 394 HG1 THR 47 HG1 THR 47 15.688 -8.026 9.758 395 1HG2 THR 47 HG21 THR 47 14.370 -5.720 8.471 396 2HG2 THR 47 HG22 THR 47 14.002 -6.287 6.843 397 3HG2 THR 47 HG23 THR 47 15.673 -6.249 7.405 398 H GLY 48 HN GLY 48 10.699 -7.948 7.098 399 1HA GLY 48 HA2 GLY 48 8.842 -6.730 7.893 400 2HA GLY 48 HA1 GLY 48 9.662 -6.585 9.442 401 H GLN 49 HN GLN 49 9.833 -5.295 6.105 402 HA GLN 49 HA GLN 49 11.203 -2.852 7.026 403 1HB GLN 49 HB2 GLN 49 10.136 -3.875 4.379 404 2HB GLN 49 HB1 GLN 49 10.952 -2.321 4.550 405 1HG GLN 49 HG2 GLN 49 12.159 -4.974 5.378 406 2HG GLN 49 HG1 GLN 49 12.484 -4.172 3.841 407 1HE2 GLN 49 HE21 GLN 49 13.360 -4.266 7.190 408 2HE2 GLN 49 HE22 GLN 49 14.395 -2.921 7.178 409 H GLU 50 HN GLU 50 7.967 -3.900 6.173 410 HA GLU 50 HA GLU 50 5.926 -2.777 5.911 411 1HB GLU 50 HB2 GLU 50 5.284 -1.761 8.004 412 2HB GLU 50 HB1 GLU 50 6.361 -3.111 8.338 413 1HG GLU 50 HG2 GLU 50 8.236 -1.554 8.668 414 2HG GLU 50 HG1 GLU 50 7.185 -0.191 8.291 415 H TYR 51 HN TYR 51 5.445 -1.369 4.379 416 HA TYR 51 HA TYR 51 6.953 0.872 3.539 417 1HB TYR 51 HB2 TYR 51 5.361 -0.081 2.069 418 2HB TYR 51 HB1 TYR 51 4.080 -0.028 3.277 419 HD1 TYR 51 HD1 TYR 51 2.424 1.544 2.908 420 HD2 TYR 51 HD2 TYR 51 6.434 2.406 1.635 421 HE1 TYR 51 HE1 TYR 51 1.676 3.742 2.045 422 HE2 TYR 51 HE2 TYR 51 5.686 4.607 0.771 423 HH TYR 51 HH TYR 51 2.908 6.061 1.611 424 H LYS 52 HN LYS 52 7.153 2.919 4.316 425 HA LYS 52 HA LYS 52 5.983 3.746 6.831 426 1HB LYS 52 HB2 LYS 52 7.447 5.240 4.625 427 2HB LYS 52 HB1 LYS 52 7.146 5.885 6.240 428 1HG LYS 52 HG2 LYS 52 8.539 3.236 5.869 429 2HG LYS 52 HG1 LYS 52 9.440 4.751 5.791 430 1HD LYS 52 HD2 LYS 52 8.251 5.306 8.042 431 2HD LYS 52 HD1 LYS 52 7.937 3.572 8.120 432 1HE LYS 52 HE2 LYS 52 10.722 4.662 7.623 433 2HE LYS 52 HE1 LYS 52 10.101 4.357 9.258 434 1HZ LYS 52 HZ1 LYS 52 9.487 2.103 8.513 435 2HZ LYS 52 HZ2 LYS 52 11.163 2.372 8.455 436 3HZ LYS 52 HZ3 LYS 52 10.246 2.401 7.026 437 HA PRO 53 HA PRO 53 2.292 5.514 5.194 438 1HB PRO 53 HB2 PRO 53 1.654 7.301 7.152 439 2HB PRO 53 HB1 PRO 53 1.491 5.546 7.344 440 1HG PRO 53 HG2 PRO 53 3.517 7.380 8.450 441 2HG PRO 53 HG1 PRO 53 2.908 5.848 9.086 442 1HD PRO 53 HD2 PRO 53 5.346 6.249 7.752 443 2HD PRO 53 HD1 PRO 53 4.587 4.685 8.122 444 H GLY 54 HN GLY 54 5.020 7.602 5.888 445 1HA GLY 54 HA2 GLY 54 3.779 9.964 4.627 446 2HA GLY 54 HA1 GLY 54 5.416 9.853 5.245 447 H ASN 55 HN ASN 55 4.107 7.527 2.879 448 HA ASN 55 HA ASN 55 4.829 7.066 0.667 449 1HB ASN 55 HB2 ASN 55 4.282 9.880 1.025 450 2HB ASN 55 HB1 ASN 55 5.607 9.703 -0.123 451 1HD2 ASN 55 HD21 ASN 55 3.635 10.658 -1.489 452 2HD2 ASN 55 HD22 ASN 55 2.682 9.494 -2.287 453 HA PRO 56 HA PRO 56 9.258 6.898 0.473 454 1HB PRO 56 HB2 PRO 56 9.977 7.754 -2.035 455 2HB PRO 56 HB1 PRO 56 9.231 6.176 -1.730 456 1HG PRO 56 HG2 PRO 56 7.985 8.691 -2.716 457 2HG PRO 56 HG1 PRO 56 7.703 7.019 -3.225 458 1HD PRO 56 HD2 PRO 56 6.023 8.345 -1.593 459 2HD PRO 56 HD1 PRO 56 6.265 6.588 -1.491 460 HA PRO 57 HA PRO 57 10.667 10.955 1.558 461 1HB PRO 57 HB2 PRO 57 13.382 10.602 1.476 462 2HB PRO 57 HB1 PRO 57 12.360 9.971 2.784 463 1HG PRO 57 HG2 PRO 57 13.460 8.559 0.398 464 2HG PRO 57 HG1 PRO 57 13.342 8.009 2.078 465 1HD PRO 57 HD2 PRO 57 11.599 7.214 0.172 466 2HD PRO 57 HD1 PRO 57 11.124 7.424 1.874 Start of MODEL 7 1 2H ASP 1 HN2 ASP 1 17.365 0.717 -6.749 2 H ASP 1 H ASP 1 16.232 1.703 -5.954 3 HA ASP 1 HA ASP 1 15.424 -0.605 -6.475 4 1HB ASP 1 HB2 ASP 1 17.785 -1.039 -4.661 5 2HB ASP 1 HB1 ASP 1 16.466 -2.210 -4.669 6 H SER 2 HN SER 2 16.502 0.759 -3.353 7 HA SER 2 HA SER 2 14.228 -0.090 -1.818 8 1HB SER 2 HB2 SER 2 16.400 0.639 -0.894 9 2HB SER 2 HB1 SER 2 16.114 2.269 -1.497 10 HG SER 2 HG SER 2 14.790 2.617 0.108 11 H LEU 3 HN LEU 3 14.947 3.021 -3.444 12 HA LEU 3 HA LEU 3 12.535 4.369 -2.673 13 1HB LEU 3 HB2 LEU 3 14.613 5.405 -3.569 14 2HB LEU 3 HB1 LEU 3 14.270 4.693 -5.139 15 HG LEU 3 HG LEU 3 12.050 5.902 -5.107 16 1HD1 LEU 3 HD11 LEU 3 13.139 6.689 -2.483 17 2HD1 LEU 3 HD12 LEU 3 11.471 6.680 -3.053 18 3HD1 LEU 3 HD13 LEU 3 12.525 8.041 -3.435 19 1HD2 LEU 3 HD21 LEU 3 14.574 7.583 -4.957 20 2HD2 LEU 3 HD22 LEU 3 13.056 8.095 -5.695 21 3HD2 LEU 3 HD23 LEU 3 13.968 6.756 -6.392 22 H VAL 4 HN VAL 4 13.373 2.775 -5.773 23 HA VAL 4 HA VAL 4 10.845 3.127 -7.024 24 HB VAL 4 HB VAL 4 12.994 2.475 -8.093 25 1HG1 VAL 4 HG11 VAL 4 13.796 0.211 -8.036 26 2HG1 VAL 4 HG12 VAL 4 12.408 -0.308 -7.080 27 3HG1 VAL 4 HG13 VAL 4 13.619 0.760 -6.371 28 1HG2 VAL 4 HG21 VAL 4 11.991 0.868 -9.704 29 2HG2 VAL 4 HG22 VAL 4 10.893 2.192 -9.313 30 3HG2 VAL 4 HG23 VAL 4 10.660 0.606 -8.577 31 H LEU 5 HN LEU 5 12.037 0.342 -5.119 32 HA LEU 5 HA LEU 5 9.669 -1.257 -5.352 33 1HB LEU 5 HB2 LEU 5 11.857 -1.038 -3.266 34 2HB LEU 5 HB1 LEU 5 10.621 -2.298 -3.232 35 HG LEU 5 HG LEU 5 12.385 -1.768 -5.635 36 1HD1 LEU 5 HD11 LEU 5 13.506 -2.582 -3.404 37 2HD1 LEU 5 HD12 LEU 5 13.882 -3.408 -4.915 38 3HD1 LEU 5 HD13 LEU 5 12.722 -4.114 -3.790 39 1HD2 LEU 5 HD21 LEU 5 10.683 -3.022 -6.514 40 2HD2 LEU 5 HD22 LEU 5 10.188 -3.642 -4.939 41 3HD2 LEU 5 HD23 LEU 5 11.567 -4.357 -5.775 42 H TYR 6 HN TYR 6 10.643 1.248 -3.044 43 HA TYR 6 HA TYR 6 8.451 1.060 -1.217 44 1HB TYR 6 HB2 TYR 6 10.618 2.369 -1.009 45 2HB TYR 6 HB1 TYR 6 9.942 3.545 -2.137 46 HD1 TYR 6 HD1 TYR 6 7.803 4.745 -1.535 47 HD2 TYR 6 HD2 TYR 6 9.985 2.353 1.285 48 HE1 TYR 6 HE1 TYR 6 6.592 5.833 0.328 49 HE2 TYR 6 HE2 TYR 6 8.773 3.446 3.152 50 HH TYR 6 HH TYR 6 6.677 4.638 3.530 51 H ASN 7 HN ASN 7 8.848 2.826 -4.285 52 HA ASN 7 HA ASN 7 6.402 4.293 -4.262 53 1HB ASN 7 HB2 ASN 7 8.104 3.137 -6.489 54 2HB ASN 7 HB1 ASN 7 6.754 4.229 -6.778 55 1HD2 ASN 7 HD21 ASN 7 9.449 4.963 -7.456 56 2HD2 ASN 7 HD22 ASN 7 9.918 6.246 -6.448 57 H ARG 8 HN ARG 8 7.140 0.981 -5.383 58 HA ARG 8 HA ARG 8 4.662 0.374 -6.638 59 1HB ARG 8 HB2 ARG 8 6.776 -0.961 -6.692 60 2HB ARG 8 HB1 ARG 8 6.495 -1.429 -5.016 61 1HG ARG 8 HG2 ARG 8 4.452 -2.585 -5.612 62 2HG ARG 8 HG1 ARG 8 4.537 -1.976 -7.265 63 1HD ARG 8 HD2 ARG 8 6.559 -3.268 -7.701 64 2HD ARG 8 HD1 ARG 8 6.636 -3.784 -6.006 65 HE ARG 8 HE ARG 8 4.055 -4.457 -7.003 66 1HH1 ARG 8 HH21 ARG 8 6.298 -6.212 -5.719 67 2HH1 ARG 8 HH22 ARG 8 6.457 -7.427 -6.943 68 1HH2 ARG 8 HH11 ARG 8 4.728 -5.622 -9.342 69 2HH2 ARG 8 HH12 ARG 8 5.569 -7.094 -8.990 70 H VAL 9 HN VAL 9 5.630 -0.243 -3.210 71 HA VAL 9 HA VAL 9 3.008 -1.193 -2.447 72 HB VAL 9 HB VAL 9 3.929 -0.993 -0.166 73 1HG1 VAL 9 HG11 VAL 9 6.376 -1.887 -1.524 74 2HG1 VAL 9 HG12 VAL 9 4.904 -2.585 -2.197 75 3HG1 VAL 9 HG13 VAL 9 5.270 -2.785 -0.484 76 1HG2 VAL 9 HG21 VAL 9 6.304 0.375 -1.449 77 2HG2 VAL 9 HG22 VAL 9 6.094 0.013 0.260 78 3HG2 VAL 9 HG23 VAL 9 5.070 1.216 -0.512 79 H ALA 10 HN ALA 10 4.634 1.939 -2.395 80 HA ALA 10 HA ALA 10 2.706 3.470 -0.956 81 1HB ALA 10 HB1 ALA 10 4.823 3.973 -3.026 82 2HB ALA 10 HB2 ALA 10 4.754 4.520 -1.351 83 3HB ALA 10 HB3 ALA 10 3.747 5.294 -2.574 84 H VAL 11 HN VAL 11 2.917 2.594 -4.394 85 HA VAL 11 HA VAL 11 0.861 4.273 -5.412 86 HB VAL 11 HB VAL 11 1.934 1.545 -6.190 87 1HG1 VAL 11 HG11 VAL 11 -0.024 1.470 -7.416 88 2HG1 VAL 11 HG12 VAL 11 0.977 2.418 -8.518 89 3HG1 VAL 11 HG13 VAL 11 -0.186 3.225 -7.465 90 1HG2 VAL 11 HG21 VAL 11 2.407 3.970 -7.827 91 2HG2 VAL 11 HG22 VAL 11 3.524 2.686 -7.365 92 3HG2 VAL 11 HG23 VAL 11 3.151 3.982 -6.228 93 H GLN 12 HN GLN 12 0.580 0.841 -4.289 94 HA GLN 12 HA GLN 12 -2.258 0.680 -4.672 95 1HB GLN 12 HB2 GLN 12 -0.317 -0.734 -2.826 96 2HB GLN 12 HB1 GLN 12 -2.008 -1.214 -2.989 97 1HG GLN 12 HG2 GLN 12 -0.066 -1.001 -5.310 98 2HG GLN 12 HG1 GLN 12 -0.474 -2.509 -4.493 99 1HE2 GLN 12 HE21 GLN 12 -3.168 -2.495 -4.186 100 2HE2 GLN 12 HE22 GLN 12 -3.972 -2.283 -5.666 101 H GLY 13 HN GLY 13 -0.375 1.402 -1.718 102 1HA GLY 13 HA2 GLY 13 -2.323 1.781 0.194 103 2HA GLY 13 HA1 GLY 13 -0.905 2.845 0.083 104 H ASP 14 HN ASP 14 -1.282 4.231 -2.162 105 HA ASP 14 HA ASP 14 -3.133 6.293 -1.439 106 1HB ASP 14 HB2 ASP 14 -1.622 5.589 -3.970 107 2HB ASP 14 HB1 ASP 14 -2.549 7.081 -3.795 108 H VAL 15 HN VAL 15 -3.370 3.568 -3.720 109 HA VAL 15 HA VAL 15 -5.731 4.350 -5.097 110 HB VAL 15 HB VAL 15 -4.732 1.592 -4.304 111 1HG1 VAL 15 HG11 VAL 15 -6.052 0.746 -6.133 112 2HG1 VAL 15 HG12 VAL 15 -6.489 2.377 -6.641 113 3HG1 VAL 15 HG13 VAL 15 -7.121 1.726 -5.129 114 1HG2 VAL 15 HG21 VAL 15 -3.265 1.705 -6.070 115 2HG2 VAL 15 HG22 VAL 15 -3.362 3.434 -5.737 116 3HG2 VAL 15 HG23 VAL 15 -4.337 2.729 -7.025 117 H VAL 16 HN VAL 16 -5.347 2.604 -1.991 118 HA VAL 16 HA VAL 16 -8.115 2.010 -1.536 119 HB VAL 16 HB VAL 16 -5.773 2.626 0.307 120 1HG1 VAL 16 HG11 VAL 16 -7.106 1.509 2.085 121 2HG1 VAL 16 HG12 VAL 16 -8.486 1.446 0.988 122 3HG1 VAL 16 HG13 VAL 16 -7.865 3.004 1.535 123 1HG2 VAL 16 HG21 VAL 16 -5.250 0.635 -0.783 124 2HG2 VAL 16 HG22 VAL 16 -6.941 0.163 -0.949 125 3HG2 VAL 16 HG23 VAL 16 -6.139 0.030 0.615 126 H ARG 17 HN ARG 17 -6.112 4.803 -0.522 127 HA ARG 17 HA ARG 17 -8.171 6.352 0.709 128 1HB ARG 17 HB2 ARG 17 -5.719 6.740 0.872 129 2HB ARG 17 HB1 ARG 17 -5.697 7.230 -0.823 130 1HG ARG 17 HG2 ARG 17 -7.256 9.075 -0.316 131 2HG ARG 17 HG1 ARG 17 -7.279 8.591 1.379 132 1HD ARG 17 HD2 ARG 17 -4.791 8.957 1.463 133 2HD ARG 17 HD1 ARG 17 -4.884 9.612 -0.184 134 HE ARG 17 HE ARG 17 -6.673 11.201 0.837 135 1HH1 ARG 17 HH21 ARG 17 -3.494 11.043 1.632 136 2HH1 ARG 17 HH22 ARG 17 -3.628 11.776 3.195 137 1HH2 ARG 17 HH11 ARG 17 -7.092 11.637 3.256 138 2HH2 ARG 17 HH12 ARG 17 -5.665 12.114 4.115 139 H GLU 18 HN GLU 18 -6.961 6.360 -2.655 140 HA GLU 18 HA GLU 18 -8.604 8.449 -3.666 141 1HB GLU 18 HB2 GLU 18 -7.352 6.009 -4.892 142 2HB GLU 18 HB1 GLU 18 -8.122 7.261 -5.858 143 1HG GLU 18 HG2 GLU 18 -6.588 8.939 -4.944 144 2HG GLU 18 HG1 GLU 18 -5.842 7.721 -3.911 145 H LEU 19 HN LEU 19 -9.230 4.946 -3.433 146 HA LEU 19 HA LEU 19 -11.669 4.861 -4.890 147 1HB LEU 19 HB2 LEU 19 -10.535 3.287 -2.601 148 2HB LEU 19 HB1 LEU 19 -12.044 2.827 -3.381 149 HG LEU 19 HG LEU 19 -9.455 3.249 -4.897 150 1HD1 LEU 19 HD11 LEU 19 -8.985 0.954 -4.735 151 2HD1 LEU 19 HD12 LEU 19 -10.630 0.554 -4.242 152 3HD1 LEU 19 HD13 LEU 19 -9.536 1.343 -3.106 153 1HD2 LEU 19 HD21 LEU 19 -11.601 1.449 -5.873 154 2HD2 LEU 19 HD22 LEU 19 -10.638 2.632 -6.757 155 3HD2 LEU 19 HD23 LEU 19 -12.032 3.157 -5.815 156 H LYS 20 HN LYS 20 -11.070 5.563 -1.463 157 HA LYS 20 HA LYS 20 -13.792 5.673 -0.615 158 1HB LYS 20 HB2 LYS 20 -11.256 7.034 0.356 159 2HB LYS 20 HB1 LYS 20 -12.769 7.038 1.258 160 1HG LYS 20 HG2 LYS 20 -11.219 4.565 0.430 161 2HG LYS 20 HG1 LYS 20 -11.274 5.244 2.056 162 1HD LYS 20 HD2 LYS 20 -13.868 5.000 1.794 163 2HD LYS 20 HD1 LYS 20 -13.454 3.862 0.509 164 1HE LYS 20 HE2 LYS 20 -13.376 2.345 2.235 165 2HE LYS 20 HE1 LYS 20 -11.765 3.037 2.516 166 1HZ LYS 20 HZ1 LYS 20 -12.968 3.228 4.545 167 2HZ LYS 20 HZ2 LYS 20 -14.328 3.876 3.760 168 3HZ LYS 20 HZ3 LYS 20 -12.895 4.783 3.871 169 H ALA 21 HN ALA 21 -11.576 8.095 -1.925 170 HA ALA 21 HA ALA 21 -13.314 10.378 -1.699 171 1HB ALA 21 HB1 ALA 21 -11.422 10.066 -3.995 172 2HB ALA 21 HB2 ALA 21 -10.739 9.968 -2.371 173 3HB ALA 21 HB3 ALA 21 -11.607 11.418 -2.877 174 H LYS 22 HN LYS 22 -13.109 7.664 -3.910 175 HA LYS 22 HA LYS 22 -14.891 8.878 -5.925 176 1HB LYS 22 HB2 LYS 22 -13.622 6.154 -5.519 177 2HB LYS 22 HB1 LYS 22 -14.592 6.578 -6.931 178 1HG LYS 22 HG2 LYS 22 -13.051 8.434 -7.439 179 2HG LYS 22 HG1 LYS 22 -12.077 8.016 -6.032 180 1HD LYS 22 HD2 LYS 22 -11.639 5.785 -7.001 181 2HD LYS 22 HD1 LYS 22 -12.601 6.218 -8.415 182 1HE LYS 22 HE2 LYS 22 -11.010 7.741 -9.202 183 2HE LYS 22 HE1 LYS 22 -10.315 7.994 -7.588 184 1HZ LYS 22 HZ1 LYS 22 -10.185 5.469 -9.152 185 2HZ LYS 22 HZ2 LYS 22 -9.544 5.703 -7.596 186 3HZ LYS 22 HZ3 LYS 22 -8.898 6.549 -8.920 187 H LYS 23 HN LYS 23 -15.556 7.843 -2.890 188 HA LYS 23 HA LYS 23 -17.493 7.054 -1.809 189 1HB LYS 23 HB2 LYS 23 -18.634 7.550 -4.567 190 2HB LYS 23 HB1 LYS 23 -19.585 7.343 -3.102 191 1HG LYS 23 HG2 LYS 23 -18.502 9.327 -2.115 192 2HG LYS 23 HG1 LYS 23 -17.555 9.544 -3.588 193 1HD LYS 23 HD2 LYS 23 -19.643 9.806 -4.887 194 2HD LYS 23 HD1 LYS 23 -20.583 9.611 -3.407 195 1HE LYS 23 HE2 LYS 23 -20.443 11.952 -3.575 196 2HE LYS 23 HE1 LYS 23 -19.044 11.593 -2.542 197 1HZ LYS 23 HZ1 LYS 23 -17.686 11.395 -4.559 198 2HZ LYS 23 HZ2 LYS 23 -18.345 12.953 -4.397 199 3HZ LYS 23 HZ3 LYS 23 -19.019 11.853 -5.503 200 H ALA 24 HN ALA 24 -15.725 5.244 -3.611 201 HA ALA 24 HA ALA 24 -17.324 3.172 -4.744 202 1HB ALA 24 HB1 ALA 24 -15.271 2.151 -5.051 203 2HB ALA 24 HB2 ALA 24 -14.718 2.545 -3.423 204 3HB ALA 24 HB3 ALA 24 -14.710 3.782 -4.680 205 HA PRO 25 HA PRO 25 -18.881 1.077 -1.195 206 1HB PRO 25 HB2 PRO 25 -18.855 -1.532 -2.030 207 2HB PRO 25 HB1 PRO 25 -20.035 -0.340 -2.614 208 1HG PRO 25 HG2 PRO 25 -17.538 -1.324 -3.914 209 2HG PRO 25 HG1 PRO 25 -19.125 -0.992 -4.628 210 1HD PRO 25 HD2 PRO 25 -17.040 0.720 -4.840 211 2HD PRO 25 HD1 PRO 25 -18.732 1.267 -4.784 212 H LYS 26 HN LYS 26 -18.218 -0.425 0.533 213 HA LYS 26 HA LYS 26 -15.501 -0.295 1.299 214 1HB LYS 26 HB2 LYS 26 -17.747 -2.207 2.006 215 2HB LYS 26 HB1 LYS 26 -16.219 -2.145 2.887 216 1HG LYS 26 HG2 LYS 26 -16.610 0.238 3.402 217 2HG LYS 26 HG1 LYS 26 -18.141 0.174 2.526 218 1HD LYS 26 HD2 LYS 26 -18.950 -1.575 4.087 219 2HD LYS 26 HD1 LYS 26 -17.430 -1.468 4.976 220 1HE LYS 26 HE2 LYS 26 -17.927 1.009 5.321 221 2HE LYS 26 HE1 LYS 26 -19.554 0.678 4.693 222 1HZ LYS 26 HZ1 LYS 26 -18.239 -0.642 7.007 223 2HZ LYS 26 HZ2 LYS 26 -19.714 -1.147 6.332 224 3HZ LYS 26 HZ3 LYS 26 -19.588 0.384 7.058 225 H GLU 27 HN GLU 27 -17.140 -2.605 -0.770 226 HA GLU 27 HA GLU 27 -15.342 -4.802 -0.656 227 1HB GLU 27 HB2 GLU 27 -17.108 -3.661 -2.834 228 2HB GLU 27 HB1 GLU 27 -16.286 -5.216 -2.983 229 1HG GLU 27 HG2 GLU 27 -17.432 -6.085 -1.039 230 2HG GLU 27 HG1 GLU 27 -18.119 -4.505 -0.681 231 H ASP 28 HN ASP 28 -15.235 -1.849 -2.668 232 HA ASP 28 HA ASP 28 -12.948 -2.647 -4.248 233 1HB ASP 28 HB2 ASP 28 -14.407 -0.099 -3.587 234 2HB ASP 28 HB1 ASP 28 -12.916 -0.030 -4.527 235 H VAL 29 HN VAL 29 -13.277 -0.636 -1.317 236 HA VAL 29 HA VAL 29 -10.483 0.051 -1.110 237 HB VAL 29 HB VAL 29 -12.765 -0.089 0.889 238 1HG1 VAL 29 HG11 VAL 29 -10.141 0.104 1.614 239 2HG1 VAL 29 HG12 VAL 29 -11.459 0.863 2.502 240 3HG1 VAL 29 HG13 VAL 29 -10.526 1.801 1.338 241 1HG2 VAL 29 HG21 VAL 29 -12.472 1.519 -1.330 242 2HG2 VAL 29 HG22 VAL 29 -11.761 2.516 -0.061 243 3HG2 VAL 29 HG23 VAL 29 -13.418 1.935 0.098 244 H ASP 30 HN ASP 30 -12.452 -2.514 0.415 245 HA ASP 30 HA ASP 30 -10.454 -3.617 2.111 246 1HB ASP 30 HB2 ASP 30 -12.846 -4.783 0.662 247 2HB ASP 30 HB1 ASP 30 -11.933 -5.680 1.876 248 H ALA 31 HN ALA 31 -11.273 -4.451 -1.273 249 HA ALA 31 HA ALA 31 -9.463 -6.639 -1.548 250 1HB ALA 31 HB1 ALA 31 -9.969 -4.858 -3.876 251 2HB ALA 31 HB2 ALA 31 -11.397 -5.479 -3.046 252 3HB ALA 31 HB3 ALA 31 -10.212 -6.597 -3.721 253 H ALA 32 HN ALA 32 -9.028 -3.190 -2.367 254 HA ALA 32 HA ALA 32 -6.337 -3.446 -3.332 255 1HB ALA 32 HB1 ALA 32 -7.968 -1.178 -2.158 256 2HB ALA 32 HB2 ALA 32 -7.650 -1.511 -3.861 257 3HB ALA 32 HB3 ALA 32 -6.350 -0.935 -2.817 258 H VAL 33 HN VAL 33 -7.617 -2.734 -0.060 259 HA VAL 33 HA VAL 33 -5.006 -2.280 1.099 260 HB VAL 33 HB VAL 33 -7.497 -1.714 1.849 261 1HG1 VAL 33 HG11 VAL 33 -8.452 -3.819 2.346 262 2HG1 VAL 33 HG12 VAL 33 -8.024 -3.149 3.913 263 3HG1 VAL 33 HG13 VAL 33 -7.005 -4.381 3.184 264 1HG2 VAL 33 HG21 VAL 33 -5.009 -2.163 3.428 265 2HG2 VAL 33 HG22 VAL 33 -6.482 -1.747 4.305 266 3HG2 VAL 33 HG23 VAL 33 -5.856 -0.659 3.065 267 H LYS 34 HN LYS 34 -7.084 -5.168 0.748 268 HA LYS 34 HA LYS 34 -5.460 -6.998 2.264 269 1HB LYS 34 HB2 LYS 34 -7.784 -7.386 1.407 270 2HB LYS 34 HB1 LYS 34 -7.135 -7.467 -0.232 271 1HG LYS 34 HG2 LYS 34 -5.737 -9.387 0.399 272 2HG LYS 34 HG1 LYS 34 -6.346 -9.301 2.052 273 1HD LYS 34 HD2 LYS 34 -8.637 -9.713 1.232 274 2HD LYS 34 HD1 LYS 34 -8.029 -9.805 -0.421 275 1HE LYS 34 HE2 LYS 34 -8.005 -12.067 0.112 276 2HE LYS 34 HE1 LYS 34 -6.396 -11.625 0.716 277 1HZ LYS 34 HZ1 LYS 34 -7.725 -12.772 2.414 278 2HZ LYS 34 HZ2 LYS 34 -8.901 -11.549 2.317 279 3HZ LYS 34 HZ3 LYS 34 -7.339 -11.188 2.881 280 H GLN 35 HN GLN 35 -5.423 -5.929 -1.096 281 HA GLN 35 HA GLN 35 -3.285 -7.568 -2.088 282 1HB GLN 35 HB2 GLN 35 -5.049 -5.965 -3.227 283 2HB GLN 35 HB1 GLN 35 -3.827 -4.726 -2.949 284 1HG GLN 35 HG2 GLN 35 -2.224 -5.835 -4.303 285 2HG GLN 35 HG1 GLN 35 -3.154 -7.334 -4.314 286 1HE2 GLN 35 HE21 GLN 35 -2.611 -4.399 -6.020 287 2HE2 GLN 35 HE22 GLN 35 -3.908 -4.527 -7.107 288 H LEU 36 HN LEU 36 -3.421 -4.416 -0.501 289 HA LEU 36 HA LEU 36 -0.704 -3.602 -0.685 290 1HB LEU 36 HB2 LEU 36 -2.842 -2.411 0.136 291 2HB LEU 36 HB1 LEU 36 -2.535 -3.180 1.687 292 HG LEU 36 HG LEU 36 -1.643 -0.874 1.577 293 1HD1 LEU 36 HD11 LEU 36 0.279 -1.373 2.766 294 2HD1 LEU 36 HD12 LEU 36 0.784 -2.623 1.629 295 3HD1 LEU 36 HD13 LEU 36 -0.509 -2.951 2.782 296 1HD2 LEU 36 HD21 LEU 36 -0.215 -0.134 -0.053 297 2HD2 LEU 36 HD22 LEU 36 -0.971 -1.424 -0.989 298 3HD2 LEU 36 HD23 LEU 36 0.586 -1.697 -0.206 299 H LEU 37 HN LEU 37 -2.329 -5.716 1.714 300 HA LEU 37 HA LEU 37 -0.174 -6.045 3.535 301 1HB LEU 37 HB2 LEU 37 -2.565 -7.582 2.680 302 2HB LEU 37 HB1 LEU 37 -1.370 -8.437 3.654 303 HG LEU 37 HG LEU 37 -1.507 -6.206 5.108 304 1HD1 LEU 37 HD11 LEU 37 -3.072 -5.038 3.656 305 2HD1 LEU 37 HD12 LEU 37 -3.881 -5.422 5.175 306 3HD1 LEU 37 HD13 LEU 37 -4.205 -6.388 3.736 307 1HD2 LEU 37 HD21 LEU 37 -3.563 -7.396 6.274 308 2HD2 LEU 37 HD22 LEU 37 -1.984 -8.181 6.244 309 3HD2 LEU 37 HD23 LEU 37 -3.230 -8.664 5.094 310 H SER 38 HN SER 38 -0.919 -7.670 0.483 311 HA SER 38 HA SER 38 1.159 -9.644 0.506 312 1HB SER 38 HB2 SER 38 -0.842 -9.365 -1.065 313 2HB SER 38 HB1 SER 38 0.086 -8.114 -1.886 314 HG SER 38 HG SER 38 1.653 -9.644 -2.364 315 H LEU 39 HN LEU 39 1.091 -6.247 -0.531 316 HA LEU 39 HA LEU 39 3.747 -6.098 -1.626 317 1HB LEU 39 HB2 LEU 39 2.038 -3.980 -0.266 318 2HB LEU 39 HB1 LEU 39 3.393 -3.669 -1.346 319 HG LEU 39 HG LEU 39 0.825 -5.099 -2.099 320 1HD1 LEU 39 HD11 LEU 39 0.001 -3.083 -2.629 321 2HD1 LEU 39 HD12 LEU 39 1.414 -2.719 -3.617 322 3HD1 LEU 39 HD13 LEU 39 1.419 -2.333 -1.898 323 1HD2 LEU 39 HD21 LEU 39 1.824 -4.807 -4.443 324 2HD2 LEU 39 HD22 LEU 39 2.597 -6.023 -3.426 325 3HD2 LEU 39 HD23 LEU 39 3.353 -4.444 -3.642 326 H LYS 40 HN LYS 40 2.410 -5.587 1.615 327 HA LYS 40 HA LYS 40 4.732 -4.622 2.956 328 1HB LYS 40 HB2 LYS 40 2.421 -4.636 3.848 329 2HB LYS 40 HB1 LYS 40 2.462 -6.392 3.922 330 1HG LYS 40 HG2 LYS 40 4.228 -6.350 5.574 331 2HG LYS 40 HG1 LYS 40 4.387 -4.602 5.413 332 1HD LYS 40 HD2 LYS 40 3.061 -4.939 7.370 333 2HD LYS 40 HD1 LYS 40 1.926 -4.458 6.108 334 1HE LYS 40 HE2 LYS 40 1.346 -6.826 5.704 335 2HE LYS 40 HE1 LYS 40 2.493 -7.321 6.964 336 1HZ LYS 40 HZ1 LYS 40 0.242 -7.084 7.856 337 2HZ LYS 40 HZ2 LYS 40 0.206 -5.461 7.356 338 3HZ LYS 40 HZ3 LYS 40 1.301 -5.960 8.556 339 H ALA 41 HN ALA 41 3.649 -7.926 2.215 340 HA ALA 41 HA ALA 41 5.555 -9.388 3.751 341 1HB ALA 41 HB1 ALA 41 5.097 -11.128 1.914 342 2HB ALA 41 HB2 ALA 41 4.087 -9.901 1.154 343 3HB ALA 41 HB3 ALA 41 3.683 -10.503 2.760 344 H GLU 42 HN GLU 42 5.757 -8.024 0.455 345 HA GLU 42 HA GLU 42 8.346 -9.116 -0.206 346 1HB GLU 42 HB2 GLU 42 6.777 -6.665 -1.081 347 2HB GLU 42 HB1 GLU 42 8.276 -7.175 -1.863 348 1HG GLU 42 HG2 GLU 42 7.282 -9.346 -2.414 349 2HG GLU 42 HG1 GLU 42 5.798 -8.902 -1.575 350 H TYR 43 HN TYR 43 7.322 -6.051 1.285 351 HA TYR 43 HA TYR 43 9.847 -4.754 1.461 352 1HB TYR 43 HB2 TYR 43 7.611 -3.753 1.863 353 2HB TYR 43 HB1 TYR 43 7.487 -4.664 3.364 354 HD1 TYR 43 HD1 TYR 43 9.092 -1.815 1.685 355 HD2 TYR 43 HD2 TYR 43 8.975 -4.184 5.264 356 HE1 TYR 43 HE1 TYR 43 10.395 -0.075 2.882 357 HE2 TYR 43 HE2 TYR 43 10.268 -2.446 6.464 358 HH TYR 43 HH TYR 43 10.524 0.466 5.768 359 H LYS 44 HN LYS 44 8.215 -6.830 3.880 360 HA LYS 44 HA LYS 44 10.098 -6.582 5.960 361 1HB LYS 44 HB2 LYS 44 9.076 -8.582 6.852 362 2HB LYS 44 HB1 LYS 44 7.832 -7.650 6.033 363 1HG LYS 44 HG2 LYS 44 7.385 -9.341 4.616 364 2HG LYS 44 HG1 LYS 44 9.080 -9.533 4.199 365 1HD LYS 44 HD2 LYS 44 9.478 -11.036 5.978 366 2HD LYS 44 HD1 LYS 44 8.010 -10.550 6.826 367 1HE LYS 44 HE2 LYS 44 7.187 -12.489 5.890 368 2HE LYS 44 HE1 LYS 44 6.943 -11.442 4.477 369 1HZ LYS 44 HZ1 LYS 44 9.391 -13.023 5.066 370 2HZ LYS 44 HZ2 LYS 44 9.180 -11.992 3.732 371 3HZ LYS 44 HZ3 LYS 44 8.238 -13.398 3.880 372 H GLU 45 HN GLU 45 10.351 -8.544 3.036 373 HA GLU 45 HA GLU 45 12.418 -10.335 3.841 374 1HB GLU 45 HB2 GLU 45 11.614 -9.051 1.221 375 2HB GLU 45 HB1 GLU 45 12.895 -10.262 1.313 376 1HG GLU 45 HG2 GLU 45 10.105 -10.706 2.406 377 2HG GLU 45 HG1 GLU 45 10.599 -11.192 0.783 378 H LYS 46 HN LYS 46 12.582 -7.017 2.559 379 HA LYS 46 HA LYS 46 15.411 -6.850 2.229 380 1HB LYS 46 HB2 LYS 46 13.253 -4.818 2.828 381 2HB LYS 46 HB1 LYS 46 14.906 -4.371 2.415 382 1HG LYS 46 HG2 LYS 46 13.180 -6.148 0.676 383 2HG LYS 46 HG1 LYS 46 13.308 -4.403 0.456 384 1HD LYS 46 HD2 LYS 46 15.885 -4.847 0.425 385 2HD LYS 46 HD1 LYS 46 15.419 -6.513 0.075 386 1HE LYS 46 HE2 LYS 46 13.967 -5.593 -1.812 387 2HE LYS 46 HE1 LYS 46 14.781 -4.038 -1.555 388 1HZ LYS 46 HZ1 LYS 46 16.064 -6.643 -2.180 389 2HZ LYS 46 HZ2 LYS 46 16.922 -5.250 -1.721 390 3HZ LYS 46 HZ3 LYS 46 16.028 -5.264 -3.166 391 H THR 47 HN THR 47 13.437 -5.651 5.035 392 HA THR 47 HA THR 47 15.714 -6.253 6.821 393 HB THR 47 HB THR 47 14.709 -3.416 6.516 394 HG1 THR 47 HG1 THR 47 16.241 -3.097 5.085 395 1HG2 THR 47 HG21 THR 47 15.753 -3.377 8.548 396 2HG2 THR 47 HG22 THR 47 17.202 -3.273 7.549 397 3HG2 THR 47 HG23 THR 47 16.695 -4.828 8.207 398 H GLY 48 HN GLY 48 12.955 -3.961 7.128 399 1HA GLY 48 HA2 GLY 48 12.336 -5.135 9.746 400 2HA GLY 48 HA1 GLY 48 11.587 -3.720 9.035 401 H GLN 49 HN GLN 49 9.540 -3.947 8.455 402 HA GLN 49 HA GLN 49 8.491 -6.625 7.690 403 1HB GLN 49 HB2 GLN 49 7.690 -4.749 9.891 404 2HB GLN 49 HB1 GLN 49 6.558 -5.937 9.258 405 1HG GLN 49 HG2 GLN 49 8.117 -7.751 9.778 406 2HG GLN 49 HG1 GLN 49 9.318 -6.583 10.329 407 1HE2 GLN 49 HE21 GLN 49 5.769 -6.825 10.967 408 2HE2 GLN 49 HE22 GLN 49 5.930 -6.827 12.657 409 H GLU 50 HN GLU 50 8.018 -3.099 7.605 410 HA GLU 50 HA GLU 50 6.412 -3.373 5.147 411 1HB GLU 50 HB2 GLU 50 4.456 -2.372 6.185 412 2HB GLU 50 HB1 GLU 50 4.982 -3.741 7.161 413 1HG GLU 50 HG2 GLU 50 6.233 -2.135 8.638 414 2HG GLU 50 HG1 GLU 50 5.477 -0.814 7.747 415 H TYR 51 HN TYR 51 6.151 -1.324 4.048 416 HA TYR 51 HA TYR 51 8.321 0.531 4.333 417 1HB TYR 51 HB2 TYR 51 7.186 1.701 2.511 418 2HB TYR 51 HB1 TYR 51 7.119 -0.033 2.225 419 HD1 TYR 51 HD1 TYR 51 4.996 -1.264 2.432 420 HD2 TYR 51 HD2 TYR 51 5.189 2.977 3.083 421 HE1 TYR 51 HE1 TYR 51 2.527 -1.125 2.258 422 HE2 TYR 51 HE2 TYR 51 2.718 3.115 2.916 423 HH TYR 51 HH TYR 51 0.846 0.918 1.566 424 H LYS 52 HN LYS 52 8.287 2.722 5.067 425 HA LYS 52 HA LYS 52 6.800 3.250 7.452 426 1HB LYS 52 HB2 LYS 52 8.275 5.063 5.512 427 2HB LYS 52 HB1 LYS 52 7.752 5.555 7.123 428 1HG LYS 52 HG2 LYS 52 9.262 4.123 8.196 429 2HG LYS 52 HG1 LYS 52 9.425 3.079 6.783 430 1HD LYS 52 HD2 LYS 52 10.458 5.140 5.615 431 2HD LYS 52 HD1 LYS 52 10.619 5.813 7.238 432 1HE LYS 52 HE2 LYS 52 11.775 3.569 7.844 433 2HE LYS 52 HE1 LYS 52 11.942 3.352 6.090 434 1HZ LYS 52 HZ1 LYS 52 12.897 5.600 5.978 435 2HZ LYS 52 HZ2 LYS 52 13.843 4.551 6.923 436 3HZ LYS 52 HZ3 LYS 52 12.842 5.703 7.670 437 HA PRO 53 HA PRO 53 3.015 4.735 5.728 438 1HB PRO 53 HB2 PRO 53 2.045 6.163 7.840 439 2HB PRO 53 HB1 PRO 53 2.067 4.391 7.786 440 1HG PRO 53 HG2 PRO 53 3.852 6.260 9.235 441 2HG PRO 53 HG1 PRO 53 3.294 4.644 9.689 442 1HD PRO 53 HD2 PRO 53 5.796 5.235 8.665 443 2HD PRO 53 HD1 PRO 53 5.038 3.628 8.657 444 H GLY 54 HN GLY 54 5.639 6.731 5.962 445 1HA GLY 54 HA2 GLY 54 4.253 9.320 5.752 446 2HA GLY 54 HA1 GLY 54 5.980 9.049 5.616 447 H ASN 55 HN ASN 55 3.969 7.036 3.599 448 HA ASN 55 HA ASN 55 3.708 6.964 1.259 449 1HB ASN 55 HB2 ASN 55 3.217 9.681 2.210 450 2HB ASN 55 HB1 ASN 55 3.802 9.683 0.546 451 1HD2 ASN 55 HD21 ASN 55 1.664 10.273 -0.276 452 2HD2 ASN 55 HD22 ASN 55 0.390 9.143 -0.304 453 HA PRO 56 HA PRO 56 7.603 7.324 -0.768 454 1HB PRO 56 HB2 PRO 56 7.056 8.358 -3.248 455 2HB PRO 56 HB1 PRO 56 6.654 6.693 -2.781 456 1HG PRO 56 HG2 PRO 56 4.904 9.102 -2.887 457 2HG PRO 56 HG1 PRO 56 4.558 7.437 -3.381 458 1HD PRO 56 HD2 PRO 56 3.672 8.474 -1.054 459 2HD PRO 56 HD1 PRO 56 4.093 6.756 -1.234 460 HA PRO 57 HA PRO 57 9.124 11.427 -0.119 461 1HB PRO 57 HB2 PRO 57 11.495 11.300 -1.488 462 2HB PRO 57 HB1 PRO 57 11.247 10.532 0.094 463 1HG PRO 57 HG2 PRO 57 11.148 9.321 -2.633 464 2HG PRO 57 HG1 PRO 57 11.882 8.692 -1.148 465 1HD PRO 57 HD2 PRO 57 9.495 7.822 -2.040 466 2HD PRO 57 HD1 PRO 57 9.867 7.952 -0.304 Start of MODEL 8 1 2H ASP 1 HN2 ASP 1 15.093 -1.480 -6.598 2 H ASP 1 H ASP 1 15.597 0.111 -6.895 3 HA ASP 1 HA ASP 1 17.053 -1.613 -4.980 4 1HB ASP 1 HB2 ASP 1 17.819 0.572 -4.191 5 2HB ASP 1 HB1 ASP 1 18.052 0.470 -5.933 6 H SER 2 HN SER 2 16.550 -0.214 -2.701 7 HA SER 2 HA SER 2 14.064 -1.234 -1.755 8 1HB SER 2 HB2 SER 2 15.890 0.982 -0.779 9 2HB SER 2 HB1 SER 2 14.565 0.322 0.176 10 HG SER 2 HG SER 2 17.035 -0.646 -0.194 11 H LEU 3 HN LEU 3 14.953 2.009 -2.914 12 HA LEU 3 HA LEU 3 12.543 3.366 -2.250 13 1HB LEU 3 HB2 LEU 3 14.920 4.060 -3.246 14 2HB LEU 3 HB1 LEU 3 14.043 3.977 -4.770 15 HG LEU 3 HG LEU 3 13.985 6.261 -3.848 16 1HD1 LEU 3 HD11 LEU 3 11.689 6.643 -4.208 17 2HD1 LEU 3 HD12 LEU 3 11.228 5.096 -3.496 18 3HD1 LEU 3 HD13 LEU 3 12.007 5.143 -5.078 19 1HD2 LEU 3 HD21 LEU 3 14.057 5.331 -1.416 20 2HD2 LEU 3 HD22 LEU 3 12.303 5.223 -1.569 21 3HD2 LEU 3 HD23 LEU 3 13.107 6.785 -1.723 22 H VAL 4 HN VAL 4 13.406 1.515 -5.197 23 HA VAL 4 HA VAL 4 11.053 2.088 -6.722 24 HB VAL 4 HB VAL 4 12.844 -0.367 -6.566 25 1HG1 VAL 4 HG11 VAL 4 10.771 -0.991 -7.672 26 2HG1 VAL 4 HG12 VAL 4 12.022 -0.798 -8.900 27 3HG1 VAL 4 HG13 VAL 4 10.817 0.468 -8.664 28 1HG2 VAL 4 HG21 VAL 4 14.185 0.658 -8.177 29 2HG2 VAL 4 HG22 VAL 4 13.698 2.042 -7.197 30 3HG2 VAL 4 HG23 VAL 4 12.887 1.717 -8.728 31 H LEU 5 HN LEU 5 11.763 -0.640 -4.512 32 HA LEU 5 HA LEU 5 9.211 -1.910 -4.640 33 1HB LEU 5 HB2 LEU 5 11.566 -1.831 -2.809 34 2HB LEU 5 HB1 LEU 5 10.078 -2.520 -2.160 35 HG LEU 5 HG LEU 5 10.002 -3.890 -4.362 36 1HD1 LEU 5 HD11 LEU 5 12.112 -4.252 -5.468 37 2HD1 LEU 5 HD12 LEU 5 12.965 -3.263 -4.282 38 3HD1 LEU 5 HD13 LEU 5 11.841 -2.510 -5.415 39 1HD2 LEU 5 HD21 LEU 5 10.381 -5.101 -2.379 40 2HD2 LEU 5 HD22 LEU 5 11.914 -4.289 -2.066 41 3HD2 LEU 5 HD23 LEU 5 11.799 -5.489 -3.353 42 H TYR 6 HN TYR 6 10.426 0.724 -2.585 43 HA TYR 6 HA TYR 6 8.244 0.922 -0.764 44 1HB TYR 6 HB2 TYR 6 10.444 2.052 -0.557 45 2HB TYR 6 HB1 TYR 6 10.044 3.074 -1.936 46 HD1 TYR 6 HD1 TYR 6 9.845 5.252 -1.042 47 HD2 TYR 6 HD2 TYR 6 7.869 1.972 0.907 48 HE1 TYR 6 HE1 TYR 6 8.699 6.841 0.481 49 HE2 TYR 6 HE2 TYR 6 6.726 3.560 2.419 50 HH TYR 6 HH TYR 6 6.062 5.995 2.371 51 H ASN 7 HN ASN 7 8.724 2.371 -3.982 52 HA ASN 7 HA ASN 7 6.416 4.042 -4.030 53 1HB ASN 7 HB2 ASN 7 8.022 2.591 -6.145 54 2HB ASN 7 HB1 ASN 7 6.703 3.692 -6.558 55 1HD2 ASN 7 HD21 ASN 7 9.955 3.733 -6.429 56 2HD2 ASN 7 HD22 ASN 7 10.227 5.323 -5.903 57 H ARG 8 HN ARG 8 6.820 0.597 -4.872 58 HA ARG 8 HA ARG 8 4.241 0.136 -5.994 59 1HB ARG 8 HB2 ARG 8 6.083 -1.638 -4.356 60 2HB ARG 8 HB1 ARG 8 4.740 -2.228 -5.333 61 1HG ARG 8 HG2 ARG 8 7.001 -0.559 -6.461 62 2HG ARG 8 HG1 ARG 8 6.994 -2.323 -6.479 63 1HD ARG 8 HD2 ARG 8 4.904 -2.324 -7.780 64 2HD ARG 8 HD1 ARG 8 4.873 -0.549 -7.744 65 HE ARG 8 HE ARG 8 7.106 -0.634 -8.929 66 1HH1 ARG 8 HH21 ARG 8 5.089 -1.429 -10.910 67 2HH1 ARG 8 HH22 ARG 8 5.686 -2.947 -11.493 68 1HH2 ARG 8 HH11 ARG 8 7.839 -3.424 -8.815 69 2HH2 ARG 8 HH12 ARG 8 7.239 -4.084 -10.300 70 H VAL 9 HN VAL 9 5.319 -0.351 -2.597 71 HA VAL 9 HA VAL 9 2.671 -0.982 -1.632 72 HB VAL 9 HB VAL 9 4.734 -1.695 -0.511 73 1HG1 VAL 9 HG11 VAL 9 5.143 1.242 0.119 74 2HG1 VAL 9 HG12 VAL 9 6.124 0.290 -0.992 75 3HG1 VAL 9 HG13 VAL 9 6.121 -0.092 0.724 76 1HG2 VAL 9 HG21 VAL 9 4.142 -0.601 1.826 77 2HG2 VAL 9 HG22 VAL 9 3.015 -1.710 1.046 78 3HG2 VAL 9 HG23 VAL 9 2.756 0.030 0.938 79 H ALA 10 HN ALA 10 4.606 2.000 -1.669 80 HA ALA 10 HA ALA 10 2.840 3.705 -0.222 81 1HB ALA 10 HB1 ALA 10 5.207 4.149 -0.888 82 2HB ALA 10 HB2 ALA 10 4.129 5.481 -1.306 83 3HB ALA 10 HB3 ALA 10 4.669 4.357 -2.554 84 H VAL 11 HN VAL 11 3.070 3.146 -3.742 85 HA VAL 11 HA VAL 11 1.031 4.952 -4.556 86 HB VAL 11 HB VAL 11 2.140 2.368 -5.697 87 1HG1 VAL 11 HG11 VAL 11 1.251 3.588 -7.895 88 2HG1 VAL 11 HG12 VAL 11 0.054 4.226 -6.769 89 3HG1 VAL 11 HG13 VAL 11 0.220 2.484 -6.985 90 1HG2 VAL 11 HG21 VAL 11 2.606 5.196 -6.638 91 2HG2 VAL 11 HG22 VAL 11 3.609 3.769 -6.904 92 3HG2 VAL 11 HG23 VAL 11 3.540 4.514 -5.307 93 H GLN 12 HN GLN 12 0.754 1.429 -3.853 94 HA GLN 12 HA GLN 12 -2.062 1.228 -4.360 95 1HB GLN 12 HB2 GLN 12 -0.373 -0.624 -4.119 96 2HB GLN 12 HB1 GLN 12 -0.336 -0.308 -2.387 97 1HG GLN 12 HG2 GLN 12 -1.900 -2.046 -2.549 98 2HG GLN 12 HG1 GLN 12 -2.929 -0.614 -2.529 99 1HE2 GLN 12 HE21 GLN 12 -1.122 -2.548 -4.997 100 2HE2 GLN 12 HE22 GLN 12 -2.370 -2.510 -6.146 101 H GLY 13 HN GLY 13 -0.349 1.482 -1.240 102 1HA GLY 13 HA2 GLY 13 -2.299 1.647 0.644 103 2HA GLY 13 HA1 GLY 13 -0.897 2.730 0.700 104 H ASP 14 HN ASP 14 -1.210 4.549 -1.129 105 HA ASP 14 HA ASP 14 -3.183 6.342 -0.099 106 1HB ASP 14 HB2 ASP 14 -1.505 6.276 -2.620 107 2HB ASP 14 HB1 ASP 14 -2.485 7.667 -2.160 108 H VAL 15 HN VAL 15 -3.173 4.293 -3.017 109 HA VAL 15 HA VAL 15 -5.495 5.348 -4.279 110 HB VAL 15 HB VAL 15 -4.251 2.579 -4.187 111 1HG1 VAL 15 HG11 VAL 15 -6.383 2.091 -5.034 112 2HG1 VAL 15 HG12 VAL 15 -5.465 2.434 -6.501 113 3HG1 VAL 15 HG13 VAL 15 -6.535 3.662 -5.823 114 1HG2 VAL 15 HG21 VAL 15 -3.197 4.872 -5.157 115 2HG2 VAL 15 HG22 VAL 15 -4.118 4.353 -6.568 116 3HG2 VAL 15 HG23 VAL 15 -2.884 3.295 -5.882 117 H VAL 16 HN VAL 16 -5.175 2.832 -1.760 118 HA VAL 16 HA VAL 16 -7.923 2.034 -1.644 119 HB VAL 16 HB VAL 16 -5.673 2.183 0.394 120 1HG1 VAL 16 HG11 VAL 16 -7.556 0.179 1.130 121 2HG1 VAL 16 HG12 VAL 16 -8.469 1.664 0.867 122 3HG1 VAL 16 HG13 VAL 16 -7.135 1.643 2.019 123 1HG2 VAL 16 HG21 VAL 16 -5.388 -0.166 -0.102 124 2HG2 VAL 16 HG22 VAL 16 -5.440 0.702 -1.636 125 3HG2 VAL 16 HG23 VAL 16 -6.857 -0.187 -1.078 126 H ARG 17 HN ARG 17 -6.131 4.505 0.232 127 HA ARG 17 HA ARG 17 -8.358 5.552 1.695 128 1HB ARG 17 HB2 ARG 17 -5.903 5.914 2.119 129 2HB ARG 17 HB1 ARG 17 -5.861 6.973 0.710 130 1HG ARG 17 HG2 ARG 17 -7.529 8.450 1.744 131 2HG ARG 17 HG1 ARG 17 -7.618 7.385 3.146 132 1HD ARG 17 HD2 ARG 17 -6.117 9.213 3.708 133 2HD ARG 17 HD1 ARG 17 -5.117 7.768 3.461 134 HE ARG 17 HE ARG 17 -4.554 8.608 1.225 135 1HH1 ARG 17 HH21 ARG 17 -7.189 10.400 1.502 136 2HH1 ARG 17 HH22 ARG 17 -6.449 11.961 1.373 137 1HH2 ARG 17 HH11 ARG 17 -3.225 10.764 1.821 138 2HH2 ARG 17 HH12 ARG 17 -4.205 12.167 1.556 139 H GLU 18 HN GLU 18 -6.973 6.423 -1.465 140 HA GLU 18 HA GLU 18 -8.524 8.747 -2.028 141 1HB GLU 18 HB2 GLU 18 -6.509 7.805 -3.237 142 2HB GLU 18 HB1 GLU 18 -7.579 6.614 -3.964 143 1HG GLU 18 HG2 GLU 18 -8.921 8.385 -4.985 144 2HG GLU 18 HG1 GLU 18 -7.933 9.617 -4.202 145 H LEU 19 HN LEU 19 -9.149 5.322 -2.782 146 HA LEU 19 HA LEU 19 -11.599 5.643 -4.193 147 1HB LEU 19 HB2 LEU 19 -10.495 3.467 -2.435 148 2HB LEU 19 HB1 LEU 19 -11.938 3.256 -3.419 149 HG LEU 19 HG LEU 19 -9.251 4.111 -4.526 150 1HD1 LEU 19 HD11 LEU 19 -8.981 1.867 -3.708 151 2HD1 LEU 19 HD12 LEU 19 -9.235 1.747 -5.449 152 3HD1 LEU 19 HD13 LEU 19 -10.556 1.385 -4.339 153 1HD2 LEU 19 HD21 LEU 19 -11.960 3.495 -5.660 154 2HD2 LEU 19 HD22 LEU 19 -10.529 3.132 -6.625 155 3HD2 LEU 19 HD23 LEU 19 -10.838 4.784 -6.092 156 H LYS 20 HN LYS 20 -10.950 5.287 -0.733 157 HA LYS 20 HA LYS 20 -13.651 5.124 0.168 158 1HB LYS 20 HB2 LYS 20 -11.049 5.091 1.237 159 2HB LYS 20 HB1 LYS 20 -11.821 6.481 1.998 160 1HG LYS 20 HG2 LYS 20 -12.273 4.553 3.376 161 2HG LYS 20 HG1 LYS 20 -13.775 4.983 2.557 162 1HD LYS 20 HD2 LYS 20 -13.383 3.260 0.861 163 2HD LYS 20 HD1 LYS 20 -11.833 2.857 1.599 164 1HE LYS 20 HE2 LYS 20 -14.512 2.629 3.022 165 2HE LYS 20 HE1 LYS 20 -13.634 1.269 2.297 166 1HZ LYS 20 HZ1 LYS 20 -12.776 3.019 4.528 167 2HZ LYS 20 HZ2 LYS 20 -11.663 2.080 3.651 168 3HZ LYS 20 HZ3 LYS 20 -12.918 1.331 4.516 169 H ALA 21 HN ALA 21 -11.458 7.843 -0.393 170 HA ALA 21 HA ALA 21 -13.229 9.927 0.533 171 1HB ALA 21 HB1 ALA 21 -10.704 9.606 -0.959 172 2HB ALA 21 HB2 ALA 21 -11.148 10.829 0.232 173 3HB ALA 21 HB3 ALA 21 -11.634 11.021 -1.452 174 H LYS 22 HN LYS 22 -12.923 8.048 -2.418 175 HA LYS 22 HA LYS 22 -14.739 9.777 -3.976 176 1HB LYS 22 HB2 LYS 22 -13.331 7.129 -4.414 177 2HB LYS 22 HB1 LYS 22 -14.356 7.885 -5.635 178 1HG LYS 22 HG2 LYS 22 -12.939 9.885 -5.626 179 2HG LYS 22 HG1 LYS 22 -11.934 9.188 -4.356 180 1HD LYS 22 HD2 LYS 22 -10.764 8.760 -6.387 181 2HD LYS 22 HD1 LYS 22 -11.529 7.229 -5.957 182 1HE LYS 22 HE2 LYS 22 -13.362 7.657 -7.524 183 2HE LYS 22 HE1 LYS 22 -12.685 9.251 -7.912 184 1HZ LYS 22 HZ1 LYS 22 -10.730 8.269 -8.768 185 2HZ LYS 22 HZ2 LYS 22 -12.018 7.405 -9.461 186 3HZ LYS 22 HZ3 LYS 22 -11.137 6.734 -8.172 187 H LYS 23 HN LYS 23 -15.397 7.805 -1.444 188 HA LYS 23 HA LYS 23 -17.302 6.624 -0.724 189 1HB LYS 23 HB2 LYS 23 -18.390 8.043 -3.156 190 2HB LYS 23 HB1 LYS 23 -19.400 7.167 -2.015 191 1HG LYS 23 HG2 LYS 23 -18.604 8.620 -0.186 192 2HG LYS 23 HG1 LYS 23 -17.600 9.511 -1.331 193 1HD LYS 23 HD2 LYS 23 -19.616 10.151 -2.607 194 2HD LYS 23 HD1 LYS 23 -20.621 9.265 -1.460 195 1HE LYS 23 HE2 LYS 23 -18.745 11.405 -0.461 196 2HE LYS 23 HE1 LYS 23 -20.339 11.839 -1.110 197 1HZ LYS 23 HZ1 LYS 23 -20.619 11.397 1.196 198 2HZ LYS 23 HZ2 LYS 23 -19.749 9.941 1.096 199 3HZ LYS 23 HZ3 LYS 23 -21.274 10.075 0.359 200 H ALA 24 HN ALA 24 -15.429 5.523 -2.892 201 HA ALA 24 HA ALA 24 -16.835 3.872 -4.731 202 1HB ALA 24 HB1 ALA 24 -14.659 2.453 -4.406 203 2HB ALA 24 HB2 ALA 24 -14.172 3.757 -3.323 204 3HB ALA 24 HB3 ALA 24 -14.506 4.099 -5.021 205 HA PRO 25 HA PRO 25 -18.546 0.686 -2.201 206 1HB PRO 25 HB2 PRO 25 -18.229 -1.544 -3.757 207 2HB PRO 25 HB1 PRO 25 -19.424 -0.281 -4.115 208 1HG PRO 25 HG2 PRO 25 -16.748 -0.756 -5.329 209 2HG PRO 25 HG1 PRO 25 -18.260 -0.241 -6.093 210 1HD PRO 25 HD2 PRO 25 -16.227 1.470 -5.489 211 2HD PRO 25 HD1 PRO 25 -17.935 1.962 -5.564 212 H LYS 26 HN LYS 26 -17.932 -1.189 -0.877 213 HA LYS 26 HA LYS 26 -15.294 -1.188 0.139 214 1HB LYS 26 HB2 LYS 26 -17.497 -3.270 0.122 215 2HB LYS 26 HB1 LYS 26 -16.034 -3.430 1.097 216 1HG LYS 26 HG2 LYS 26 -16.538 -1.285 2.210 217 2HG LYS 26 HG1 LYS 26 -18.003 -1.127 1.240 218 1HD LYS 26 HD2 LYS 26 -18.877 -3.221 2.212 219 2HD LYS 26 HD1 LYS 26 -17.413 -3.379 3.185 220 1HE LYS 26 HE2 LYS 26 -17.999 -1.622 4.597 221 2HE LYS 26 HE1 LYS 26 -18.992 -0.826 3.360 222 1HZ LYS 26 HZ1 LYS 26 -20.307 -2.008 5.092 223 2HZ LYS 26 HZ2 LYS 26 -19.632 -3.471 4.550 224 3HZ LYS 26 HZ3 LYS 26 -20.612 -2.548 3.513 225 H GLU 27 HN GLU 27 -16.660 -2.935 -2.583 226 HA GLU 27 HA GLU 27 -14.723 -4.995 -2.927 227 1HB GLU 27 HB2 GLU 27 -16.883 -4.793 -4.114 228 2HB GLU 27 HB1 GLU 27 -16.271 -3.379 -4.976 229 1HG GLU 27 HG2 GLU 27 -15.979 -5.273 -6.437 230 2HG GLU 27 HG1 GLU 27 -14.389 -4.824 -5.821 231 H ASP 28 HN ASP 28 -14.720 -1.615 -4.096 232 HA ASP 28 HA ASP 28 -12.231 -1.838 -5.563 233 1HB ASP 28 HB2 ASP 28 -13.973 0.368 -4.479 234 2HB ASP 28 HB1 ASP 28 -12.415 0.757 -5.210 235 H VAL 29 HN VAL 29 -13.071 -0.663 -2.308 236 HA VAL 29 HA VAL 29 -10.400 0.147 -1.586 237 HB VAL 29 HB VAL 29 -12.809 -0.662 0.080 238 1HG1 VAL 29 HG11 VAL 29 -10.334 0.948 0.780 239 2HG1 VAL 29 HG12 VAL 29 -10.763 -0.636 1.426 240 3HG1 VAL 29 HG13 VAL 29 -11.748 0.773 1.820 241 1HG2 VAL 29 HG21 VAL 29 -12.861 1.298 -1.702 242 2HG2 VAL 29 HG22 VAL 29 -11.952 2.163 -0.464 243 3HG2 VAL 29 HG23 VAL 29 -13.559 1.534 -0.101 244 H ASP 30 HN ASP 30 -12.293 -2.798 -0.779 245 HA ASP 30 HA ASP 30 -10.289 -4.106 0.756 246 1HB ASP 30 HB2 ASP 30 -12.583 -5.075 -0.963 247 2HB ASP 30 HB1 ASP 30 -11.625 -6.169 0.035 248 H ALA 31 HN ALA 31 -10.929 -4.302 -2.764 249 HA ALA 31 HA ALA 31 -9.008 -6.311 -3.383 250 1HB ALA 31 HB1 ALA 31 -10.847 -5.356 -4.835 251 2HB ALA 31 HB2 ALA 31 -9.292 -5.510 -5.654 252 3HB ALA 31 HB3 ALA 31 -9.832 -3.934 -5.077 253 H ALA 32 HN ALA 32 -8.679 -2.758 -3.496 254 HA ALA 32 HA ALA 32 -5.900 -2.744 -4.242 255 1HB ALA 32 HB1 ALA 32 -6.091 -0.359 -3.348 256 2HB ALA 32 HB2 ALA 32 -7.734 -0.767 -2.852 257 3HB ALA 32 HB3 ALA 32 -7.293 -0.806 -4.559 258 H VAL 33 HN VAL 33 -7.504 -2.596 -1.035 259 HA VAL 33 HA VAL 33 -5.045 -2.271 0.444 260 HB VAL 33 HB VAL 33 -7.685 -2.033 0.995 261 1HG1 VAL 33 HG11 VAL 33 -6.940 -4.744 2.123 262 2HG1 VAL 33 HG12 VAL 33 -8.338 -4.334 1.128 263 3HG1 VAL 33 HG13 VAL 33 -8.233 -3.749 2.783 264 1HG2 VAL 33 HG21 VAL 33 -5.310 -2.465 2.773 265 2HG2 VAL 33 HG22 VAL 33 -6.897 -2.170 3.484 266 3HG2 VAL 33 HG23 VAL 33 -6.176 -0.971 2.411 267 H LYS 34 HN LYS 34 -6.901 -5.110 -0.675 268 HA LYS 34 HA LYS 34 -5.360 -7.127 0.665 269 1HB LYS 34 HB2 LYS 34 -7.541 -7.451 -0.514 270 2HB LYS 34 HB1 LYS 34 -6.716 -7.198 -2.054 271 1HG LYS 34 HG2 LYS 34 -5.242 -9.119 -1.587 272 2HG LYS 34 HG1 LYS 34 -6.066 -9.379 -0.050 273 1HD LYS 34 HD2 LYS 34 -8.202 -9.712 -1.284 274 2HD LYS 34 HD1 LYS 34 -7.321 -9.545 -2.804 275 1HE LYS 34 HE2 LYS 34 -5.788 -11.442 -1.808 276 2HE LYS 34 HE1 LYS 34 -7.202 -11.776 -0.790 277 1HZ LYS 34 HZ1 LYS 34 -7.085 -11.683 -3.752 278 2HZ LYS 34 HZ2 LYS 34 -8.547 -11.660 -2.888 279 3HZ LYS 34 HZ3 LYS 34 -7.511 -13.001 -2.775 280 H GLN 35 HN GLN 35 -4.974 -5.458 -2.441 281 HA GLN 35 HA GLN 35 -2.638 -6.871 -3.363 282 1HB GLN 35 HB2 GLN 35 -4.349 -5.124 -4.457 283 2HB GLN 35 HB1 GLN 35 -3.144 -3.956 -3.917 284 1HG GLN 35 HG2 GLN 35 -2.485 -4.523 -6.127 285 2HG GLN 35 HG1 GLN 35 -1.404 -5.442 -5.079 286 1HE2 GLN 35 HE21 GLN 35 -1.081 -7.384 -6.204 287 2HE2 GLN 35 HE22 GLN 35 -2.331 -8.377 -6.781 288 H LEU 36 HN LEU 36 -3.155 -3.938 -1.463 289 HA LEU 36 HA LEU 36 -0.454 -3.075 -1.126 290 1HB LEU 36 HB2 LEU 36 -2.508 -1.793 -0.635 291 2HB LEU 36 HB1 LEU 36 -2.891 -2.890 0.677 292 HG LEU 36 HG LEU 36 -1.829 -0.648 1.298 293 1HD1 LEU 36 HD11 LEU 36 -0.969 -1.569 3.224 294 2HD1 LEU 36 HD12 LEU 36 -0.128 -2.858 2.363 295 3HD1 LEU 36 HD13 LEU 36 -1.872 -2.952 2.606 296 1HD2 LEU 36 HD21 LEU 36 -0.060 -0.730 -0.480 297 2HD2 LEU 36 HD22 LEU 36 0.698 -2.063 0.389 298 3HD2 LEU 36 HD23 LEU 36 0.594 -0.469 1.136 299 H LEU 37 HN LEU 37 -2.443 -5.350 0.792 300 HA LEU 37 HA LEU 37 -0.597 -5.806 2.906 301 1HB LEU 37 HB2 LEU 37 -2.805 -7.349 1.611 302 2HB LEU 37 HB1 LEU 37 -1.878 -8.076 2.923 303 HG LEU 37 HG LEU 37 -3.002 -5.301 3.222 304 1HD1 LEU 37 HD11 LEU 37 -4.461 -7.909 3.769 305 2HD1 LEU 37 HD12 LEU 37 -4.912 -6.708 2.559 306 3HD1 LEU 37 HD13 LEU 37 -5.014 -6.312 4.274 307 1HD2 LEU 37 HD21 LEU 37 -2.505 -5.600 5.443 308 2HD2 LEU 37 HD22 LEU 37 -1.340 -6.747 4.781 309 3HD2 LEU 37 HD23 LEU 37 -2.887 -7.321 5.405 310 H SER 38 HN SER 38 -0.903 -7.352 -0.279 311 HA SER 38 HA SER 38 1.096 -9.376 0.047 312 1HB SER 38 HB2 SER 38 0.086 -7.792 -2.334 313 2HB SER 38 HB1 SER 38 1.188 -9.157 -2.490 314 HG SER 38 HG SER 38 -1.502 -9.081 -1.811 315 H LEU 39 HN LEU 39 1.298 -5.968 -0.959 316 HA LEU 39 HA LEU 39 4.106 -5.935 -1.606 317 1HB LEU 39 HB2 LEU 39 2.335 -3.707 -0.522 318 2HB LEU 39 HB1 LEU 39 3.816 -3.501 -1.456 319 HG LEU 39 HG LEU 39 1.246 -4.768 -2.454 320 1HD1 LEU 39 HD11 LEU 39 2.595 -2.205 -3.304 321 2HD1 LEU 39 HD12 LEU 39 1.231 -2.283 -2.189 322 3HD1 LEU 39 HD13 LEU 39 1.039 -2.822 -3.857 323 1HD2 LEU 39 HD21 LEU 39 3.005 -5.879 -3.604 324 2HD2 LEU 39 HD22 LEU 39 3.971 -4.407 -3.707 325 3HD2 LEU 39 HD23 LEU 39 2.516 -4.577 -4.689 326 H LYS 40 HN LYS 40 2.284 -5.120 1.328 327 HA LYS 40 HA LYS 40 4.458 -4.409 3.034 328 1HB LYS 40 HB2 LYS 40 2.037 -4.006 3.419 329 2HB LYS 40 HB1 LYS 40 1.793 -5.736 3.640 330 1HG LYS 40 HG2 LYS 40 3.311 -5.709 5.581 331 2HG LYS 40 HG1 LYS 40 3.561 -3.974 5.362 332 1HD LYS 40 HD2 LYS 40 1.066 -3.674 5.594 333 2HD LYS 40 HD1 LYS 40 0.961 -5.377 6.035 334 1HE LYS 40 HE2 LYS 40 1.383 -4.761 8.177 335 2HE LYS 40 HE1 LYS 40 3.014 -4.292 7.662 336 1HZ LYS 40 HZ1 LYS 40 2.335 -2.121 7.215 337 2HZ LYS 40 HZ2 LYS 40 1.531 -2.483 8.666 338 3HZ LYS 40 HZ3 LYS 40 0.686 -2.521 7.193 339 H ALA 41 HN ALA 41 2.936 -7.572 2.386 340 HA ALA 41 HA ALA 41 4.388 -9.108 4.319 341 1HB ALA 41 HB1 ALA 41 3.229 -10.835 3.350 342 2HB ALA 41 HB2 ALA 41 3.681 -10.348 1.716 343 3HB ALA 41 HB3 ALA 41 2.364 -9.523 2.549 344 H GLU 42 HN GLU 42 5.102 -8.294 0.922 345 HA GLU 42 HA GLU 42 7.484 -9.902 0.684 346 1HB GLU 42 HB2 GLU 42 6.430 -7.418 -0.699 347 2HB GLU 42 HB1 GLU 42 7.867 -8.285 -1.249 348 1HG GLU 42 HG2 GLU 42 6.543 -10.344 -1.510 349 2HG GLU 42 HG1 GLU 42 5.106 -9.504 -0.930 350 H TYR 43 HN TYR 43 6.922 -6.523 1.646 351 HA TYR 43 HA TYR 43 9.635 -5.660 1.834 352 1HB TYR 43 HB2 TYR 43 7.038 -4.696 2.369 353 2HB TYR 43 HB1 TYR 43 7.889 -4.570 3.906 354 HD1 TYR 43 HD1 TYR 43 10.652 -3.979 3.120 355 HD2 TYR 43 HD2 TYR 43 6.961 -2.562 1.438 356 HE1 TYR 43 HE1 TYR 43 11.806 -1.944 2.299 357 HE2 TYR 43 HE2 TYR 43 8.115 -0.528 0.618 358 HH TYR 43 HH TYR 43 11.338 -0.245 0.302 359 H LYS 44 HN LYS 44 7.506 -7.190 4.246 360 HA LYS 44 HA LYS 44 9.308 -7.128 6.455 361 1HB LYS 44 HB2 LYS 44 6.992 -8.916 5.691 362 2HB LYS 44 HB1 LYS 44 7.782 -8.993 7.266 363 1HG LYS 44 HG2 LYS 44 7.272 -6.608 7.645 364 2HG LYS 44 HG1 LYS 44 6.478 -6.529 6.071 365 1HD LYS 44 HD2 LYS 44 4.863 -8.246 6.792 366 2HD LYS 44 HD1 LYS 44 5.650 -8.330 8.367 367 1HE LYS 44 HE2 LYS 44 4.997 -6.085 8.918 368 2HE LYS 44 HE1 LYS 44 4.482 -5.760 7.251 369 1HZ LYS 44 HZ1 LYS 44 2.642 -6.398 8.807 370 2HZ LYS 44 HZ2 LYS 44 3.347 -7.941 8.913 371 3HZ LYS 44 HZ3 LYS 44 2.768 -7.369 7.421 372 H GLU 45 HN GLU 45 9.089 -9.363 3.731 373 HA GLU 45 HA GLU 45 10.387 -11.642 4.766 374 1HB GLU 45 HB2 GLU 45 10.432 -10.301 2.052 375 2HB GLU 45 HB1 GLU 45 11.154 -11.882 2.335 376 1HG GLU 45 HG2 GLU 45 8.300 -11.316 3.122 377 2HG GLU 45 HG1 GLU 45 8.712 -11.810 1.481 378 H LYS 46 HN LYS 46 11.834 -8.647 3.498 379 HA LYS 46 HA LYS 46 14.570 -9.482 3.530 380 1HB LYS 46 HB2 LYS 46 13.200 -6.802 3.918 381 2HB LYS 46 HB1 LYS 46 14.932 -6.982 3.645 382 1HG LYS 46 HG2 LYS 46 14.483 -8.123 1.505 383 2HG LYS 46 HG1 LYS 46 12.749 -7.942 1.774 384 1HD LYS 46 HD2 LYS 46 13.005 -5.488 1.801 385 2HD LYS 46 HD1 LYS 46 14.739 -5.665 1.531 386 1HE LYS 46 HE2 LYS 46 13.002 -7.103 -0.405 387 2HE LYS 46 HE1 LYS 46 12.968 -5.332 -0.502 388 1HZ LYS 46 HZ1 LYS 46 14.817 -6.487 -1.769 389 2HZ LYS 46 HZ2 LYS 46 15.504 -6.848 -0.257 390 3HZ LYS 46 HZ3 LYS 46 15.285 -5.230 -0.732 391 H THR 47 HN THR 47 12.855 -7.460 5.960 392 HA THR 47 HA THR 47 14.138 -8.887 8.178 393 HB THR 47 HB THR 47 15.979 -7.468 7.452 394 HG1 THR 47 HG1 THR 47 16.276 -7.131 9.483 395 1HG2 THR 47 HG21 THR 47 14.356 -5.800 6.302 396 2HG2 THR 47 HG22 THR 47 15.810 -5.148 7.054 397 3HG2 THR 47 HG23 THR 47 14.260 -5.028 7.885 398 H GLY 48 HN GLY 48 11.406 -8.048 7.250 399 1HA GLY 48 HA2 GLY 48 9.423 -7.444 8.368 400 2HA GLY 48 HA1 GLY 48 10.379 -7.213 9.826 401 H GLN 49 HN GLN 49 10.557 -5.581 6.633 402 HA GLN 49 HA GLN 49 10.767 -2.974 7.986 403 1HB GLN 49 HB2 GLN 49 10.786 -3.918 5.106 404 2HB GLN 49 HB1 GLN 49 11.029 -2.237 5.578 405 1HG GLN 49 HG2 GLN 49 12.971 -2.897 6.951 406 2HG GLN 49 HG1 GLN 49 12.729 -4.579 6.480 407 1HE2 GLN 49 HE21 GLN 49 15.032 -2.654 5.867 408 2HE2 GLN 49 HE22 GLN 49 15.177 -2.695 4.176 409 H GLU 50 HN GLU 50 8.201 -4.911 6.769 410 HA GLU 50 HA GLU 50 5.994 -4.454 6.045 411 1HB GLU 50 HB2 GLU 50 4.813 -3.357 7.884 412 2HB GLU 50 HB1 GLU 50 6.086 -4.393 8.517 413 1HG GLU 50 HG2 GLU 50 7.525 -2.502 8.934 414 2HG GLU 50 HG1 GLU 50 6.429 -1.414 8.080 415 H TYR 51 HN TYR 51 4.447 -2.056 6.437 416 HA TYR 51 HA TYR 51 5.077 -0.627 4.013 417 1HB TYR 51 HB2 TYR 51 2.815 -0.918 5.051 418 2HB TYR 51 HB1 TYR 51 3.314 0.169 6.350 419 HD1 TYR 51 HD1 TYR 51 3.999 2.539 5.785 420 HD2 TYR 51 HD2 TYR 51 2.104 -0.062 2.940 421 HE1 TYR 51 HE1 TYR 51 3.408 4.500 4.388 422 HE2 TYR 51 HE2 TYR 51 1.513 1.900 1.541 423 HH TYR 51 HH TYR 51 1.246 4.751 2.395 424 H LYS 52 HN LYS 52 6.792 0.769 3.842 425 HA LYS 52 HA LYS 52 8.120 1.962 6.120 426 1HB LYS 52 HB2 LYS 52 8.228 2.121 3.132 427 2HB LYS 52 HB1 LYS 52 9.091 3.345 4.065 428 1HG LYS 52 HG2 LYS 52 9.454 0.533 4.953 429 2HG LYS 52 HG1 LYS 52 10.172 0.947 3.396 430 1HD LYS 52 HD2 LYS 52 10.580 2.642 5.866 431 2HD LYS 52 HD1 LYS 52 11.660 1.314 5.441 432 1HE LYS 52 HE2 LYS 52 12.252 2.365 3.343 433 2HE LYS 52 HE1 LYS 52 11.005 3.608 3.560 434 1HZ LYS 52 HZ1 LYS 52 13.105 3.155 5.598 435 2HZ LYS 52 HZ2 LYS 52 12.116 4.520 5.377 436 3HZ LYS 52 HZ3 LYS 52 13.370 4.190 4.280 437 HA PRO 53 HA PRO 53 5.294 5.397 6.394 438 1HB PRO 53 HB2 PRO 53 6.573 6.822 8.338 439 2HB PRO 53 HB1 PRO 53 5.648 5.346 8.670 440 1HG PRO 53 HG2 PRO 53 8.567 5.757 8.572 441 2HG PRO 53 HG1 PRO 53 7.618 4.593 9.503 442 1HD PRO 53 HD2 PRO 53 9.050 4.071 7.148 443 2HD PRO 53 HD1 PRO 53 7.853 3.005 7.916 444 H GLY 54 HN GLY 54 5.899 8.010 6.867 445 1HA GLY 54 HA2 GLY 54 6.866 9.963 6.012 446 2HA GLY 54 HA1 GLY 54 8.169 8.988 5.354 447 H ASN 55 HN ASN 55 5.213 7.729 4.278 448 HA ASN 55 HA ASN 55 4.162 7.751 2.166 449 1HB ASN 55 HB2 ASN 55 4.895 10.675 2.551 450 2HB ASN 55 HB1 ASN 55 3.765 10.097 1.331 451 1HD2 ASN 55 HD21 ASN 55 3.922 11.262 4.494 452 2HD2 ASN 55 HD22 ASN 55 2.430 10.667 5.059 453 HA PRO 56 HA PRO 56 7.207 7.406 -0.995 454 1HB PRO 56 HB2 PRO 56 5.882 8.173 -3.274 455 2HB PRO 56 HB1 PRO 56 5.612 6.617 -2.463 456 1HG PRO 56 HG2 PRO 56 4.000 9.116 -2.351 457 2HG PRO 56 HG1 PRO 56 3.465 7.429 -2.405 458 1HD PRO 56 HD2 PRO 56 3.488 8.895 -0.131 459 2HD PRO 56 HD1 PRO 56 3.719 7.135 -0.147 460 HA PRO 57 HA PRO 57 8.997 11.413 -1.522 461 1HB PRO 57 HB2 PRO 57 10.887 10.865 -3.423 462 2HB PRO 57 HB1 PRO 57 11.049 10.372 -1.725 463 1HG PRO 57 HG2 PRO 57 10.215 8.769 -4.090 464 2HG PRO 57 HG1 PRO 57 11.224 8.307 -2.710 465 1HD PRO 57 HD2 PRO 57 8.605 7.601 -2.958 466 2HD PRO 57 HD1 PRO 57 9.428 7.804 -1.396 Start of MODEL 9 1 2H ASP 1 HN2 ASP 1 19.077 0.036 -4.239 2 H ASP 1 H ASP 1 18.583 -0.424 -5.798 3 HA ASP 1 HA ASP 1 18.198 2.293 -4.646 4 1HB ASP 1 HB2 ASP 1 17.462 0.888 -7.226 5 2HB ASP 1 HB1 ASP 1 16.737 2.417 -6.733 6 H SER 2 HN SER 2 17.270 1.171 -2.719 7 HA SER 2 HA SER 2 15.006 -0.617 -2.913 8 1HB SER 2 HB2 SER 2 16.566 -0.313 -0.968 9 2HB SER 2 HB1 SER 2 15.838 1.264 -0.680 10 HG SER 2 HG SER 2 14.618 -0.004 0.550 11 H LEU 3 HN LEU 3 15.263 2.752 -3.507 12 HA LEU 3 HA LEU 3 12.838 3.792 -2.464 13 1HB LEU 3 HB2 LEU 3 14.927 4.828 -3.694 14 2HB LEU 3 HB1 LEU 3 13.947 4.603 -5.138 15 HG LEU 3 HG LEU 3 13.637 6.865 -4.205 16 1HD1 LEU 3 HD11 LEU 3 11.698 5.287 -5.157 17 2HD1 LEU 3 HD12 LEU 3 11.365 6.914 -4.568 18 3HD1 LEU 3 HD13 LEU 3 11.059 5.523 -3.529 19 1HD2 LEU 3 HD21 LEU 3 12.197 5.783 -1.824 20 2HD2 LEU 3 HD22 LEU 3 13.075 7.300 -2.012 21 3HD2 LEU 3 HD23 LEU 3 13.960 5.794 -1.768 22 H VAL 4 HN VAL 4 13.453 2.215 -5.628 23 HA VAL 4 HA VAL 4 10.918 2.606 -6.813 24 HB VAL 4 HB VAL 4 11.503 0.533 -8.086 25 1HG1 VAL 4 HG11 VAL 4 13.838 1.405 -8.777 26 2HG1 VAL 4 HG12 VAL 4 13.564 2.669 -7.578 27 3HG1 VAL 4 HG13 VAL 4 12.466 2.499 -8.948 28 1HG2 VAL 4 HG21 VAL 4 13.472 0.268 -5.837 29 2HG2 VAL 4 HG22 VAL 4 13.943 -0.279 -7.442 30 3HG2 VAL 4 HG23 VAL 4 12.530 -0.977 -6.654 31 H LEU 5 HN LEU 5 11.952 0.001 -4.606 32 HA LEU 5 HA LEU 5 9.527 -1.511 -4.609 33 1HB LEU 5 HB2 LEU 5 11.765 -1.072 -2.614 34 2HB LEU 5 HB1 LEU 5 10.446 -2.199 -2.301 35 HG LEU 5 HG LEU 5 11.204 -2.900 -4.862 36 1HD1 LEU 5 HD11 LEU 5 13.427 -2.586 -5.237 37 2HD1 LEU 5 HD12 LEU 5 13.850 -2.879 -3.551 38 3HD1 LEU 5 HD13 LEU 5 13.282 -1.290 -4.052 39 1HD2 LEU 5 HD21 LEU 5 11.899 -4.922 -3.870 40 2HD2 LEU 5 HD22 LEU 5 10.798 -4.249 -2.667 41 3HD2 LEU 5 HD23 LEU 5 12.542 -4.107 -2.445 42 H TYR 6 HN TYR 6 10.609 1.248 -2.655 43 HA TYR 6 HA TYR 6 8.463 1.367 -0.784 44 1HB TYR 6 HB2 TYR 6 10.733 2.651 -1.005 45 2HB TYR 6 HB1 TYR 6 9.802 3.794 -1.975 46 HD1 TYR 6 HD1 TYR 6 10.713 2.817 1.329 47 HD2 TYR 6 HD2 TYR 6 7.564 4.656 -0.940 48 HE1 TYR 6 HE1 TYR 6 9.811 3.827 3.402 49 HE2 TYR 6 HE2 TYR 6 6.660 5.669 1.138 50 HH TYR 6 HH TYR 6 7.945 6.295 3.586 51 H ASN 7 HN ASN 7 8.795 2.724 -4.045 52 HA ASN 7 HA ASN 7 6.420 4.298 -4.113 53 1HB ASN 7 HB2 ASN 7 7.993 2.788 -6.222 54 2HB ASN 7 HB1 ASN 7 6.689 3.913 -6.616 55 1HD2 ASN 7 HD21 ASN 7 7.110 6.010 -4.826 56 2HD2 ASN 7 HD22 ASN 7 8.643 6.694 -5.071 57 H ARG 8 HN ARG 8 6.955 0.844 -4.822 58 HA ARG 8 HA ARG 8 4.385 0.222 -5.875 59 1HB ARG 8 HB2 ARG 8 6.387 -1.371 -4.244 60 2HB ARG 8 HB1 ARG 8 5.008 -2.093 -5.070 61 1HG ARG 8 HG2 ARG 8 7.037 -0.378 -6.515 62 2HG ARG 8 HG1 ARG 8 7.222 -2.124 -6.350 63 1HD ARG 8 HD2 ARG 8 4.653 -0.963 -7.434 64 2HD ARG 8 HD1 ARG 8 6.045 -1.247 -8.496 65 HE ARG 8 HE ARG 8 4.521 -3.341 -7.056 66 1HH1 ARG 8 HH11 ARG 8 6.033 -2.657 -9.903 67 2HH1 ARG 8 HH12 ARG 8 6.932 -4.133 -10.020 68 1HH2 ARG 8 HH21 ARG 8 6.186 -5.154 -6.790 69 2HH2 ARG 8 HH22 ARG 8 7.017 -5.549 -8.257 70 H VAL 9 HN VAL 9 5.533 -0.031 -2.448 71 HA VAL 9 HA VAL 9 2.939 -0.799 -1.439 72 HB VAL 9 HB VAL 9 3.965 -0.287 0.755 73 1HG1 VAL 9 HG11 VAL 9 4.672 -2.383 0.157 74 2HG1 VAL 9 HG12 VAL 9 6.239 -1.577 0.200 75 3HG1 VAL 9 HG13 VAL 9 5.417 -1.823 -1.341 76 1HG2 VAL 9 HG21 VAL 9 5.170 1.802 0.045 77 2HG2 VAL 9 HG22 VAL 9 6.328 0.779 -0.806 78 3HG2 VAL 9 HG23 VAL 9 6.180 0.677 0.944 79 H ALA 10 HN ALA 10 4.638 2.280 -1.819 80 HA ALA 10 HA ALA 10 2.777 4.028 -0.540 81 1HB ALA 10 HB1 ALA 10 4.687 4.421 -2.866 82 2HB ALA 10 HB2 ALA 10 5.061 4.640 -1.156 83 3HB ALA 10 HB3 ALA 10 3.935 5.734 -1.961 84 H VAL 11 HN VAL 11 2.946 2.871 -3.908 85 HA VAL 11 HA VAL 11 0.958 4.552 -5.052 86 HB VAL 11 HB VAL 11 1.982 1.755 -5.619 87 1HG1 VAL 11 HG11 VAL 11 0.964 2.206 -7.964 88 2HG1 VAL 11 HG12 VAL 11 -0.084 3.355 -7.131 89 3HG1 VAL 11 HG13 VAL 11 -0.120 1.648 -6.688 90 1HG2 VAL 11 HG21 VAL 11 3.542 2.794 -6.912 91 2HG2 VAL 11 HG22 VAL 11 3.154 4.206 -5.931 92 3HG2 VAL 11 HG23 VAL 11 2.395 3.994 -7.508 93 H GLN 12 HN GLN 12 0.513 1.206 -3.766 94 HA GLN 12 HA GLN 12 -2.308 1.108 -4.176 95 1HB GLN 12 HB2 GLN 12 -0.453 -0.211 -2.195 96 2HB GLN 12 HB1 GLN 12 -2.148 -0.658 -2.377 97 1HG GLN 12 HG2 GLN 12 -0.104 -0.695 -4.612 98 2HG GLN 12 HG1 GLN 12 -0.650 -2.115 -3.721 99 1HE2 GLN 12 HE21 GLN 12 -1.070 -0.993 -6.656 100 2HE2 GLN 12 HE22 GLN 12 -2.733 -1.232 -6.899 101 H GLY 13 HN GLY 13 -0.477 2.020 -1.256 102 1HA GLY 13 HA2 GLY 13 -2.376 2.505 0.649 103 2HA GLY 13 HA1 GLY 13 -1.019 3.624 0.408 104 H ASP 14 HN ASP 14 -1.466 4.882 -1.825 105 HA ASP 14 HA ASP 14 -3.489 6.825 -1.216 106 1HB ASP 14 HB2 ASP 14 -1.779 6.188 -3.629 107 2HB ASP 14 HB1 ASP 14 -2.832 7.600 -3.568 108 H VAL 15 HN VAL 15 -3.430 4.072 -3.493 109 HA VAL 15 HA VAL 15 -5.794 4.697 -4.960 110 HB VAL 15 HB VAL 15 -4.553 2.044 -4.143 111 1HG1 VAL 15 HG11 VAL 15 -6.588 2.691 -6.301 112 2HG1 VAL 15 HG12 VAL 15 -6.849 1.670 -4.887 113 3HG1 VAL 15 HG13 VAL 15 -5.741 1.150 -6.158 114 1HG2 VAL 15 HG21 VAL 15 -4.333 3.249 -6.869 115 2HG2 VAL 15 HG22 VAL 15 -3.178 2.248 -5.990 116 3HG2 VAL 15 HG23 VAL 15 -3.359 3.954 -5.579 117 H VAL 16 HN VAL 16 -5.360 2.937 -1.884 118 HA VAL 16 HA VAL 16 -8.070 2.110 -1.508 119 HB VAL 16 HB VAL 16 -5.802 2.834 0.382 120 1HG1 VAL 16 HG11 VAL 16 -7.168 1.323 1.993 121 2HG1 VAL 16 HG12 VAL 16 -8.542 1.704 0.955 122 3HG1 VAL 16 HG13 VAL 16 -7.688 2.997 1.797 123 1HG2 VAL 16 HG21 VAL 16 -6.917 0.114 -0.329 124 2HG2 VAL 16 HG22 VAL 16 -5.369 0.490 0.429 125 3HG2 VAL 16 HG23 VAL 16 -5.637 0.879 -1.271 126 H ARG 17 HN ARG 17 -6.364 5.047 -0.358 127 HA ARG 17 HA ARG 17 -8.600 6.331 0.868 128 1HB ARG 17 HB2 ARG 17 -6.184 6.931 1.105 129 2HB ARG 17 HB1 ARG 17 -6.206 7.553 -0.545 130 1HG ARG 17 HG2 ARG 17 -7.964 9.168 0.077 131 2HG ARG 17 HG1 ARG 17 -7.948 8.553 1.729 132 1HD ARG 17 HD2 ARG 17 -5.491 9.170 1.846 133 2HD ARG 17 HD1 ARG 17 -5.699 9.994 0.287 134 HE ARG 17 HE ARG 17 -7.362 10.674 2.687 135 1HH1 ARG 17 HH11 ARG 17 -7.902 11.712 -0.173 136 2HH1 ARG 17 HH12 ARG 17 -7.214 13.297 -0.064 137 1HH2 ARG 17 HH21 ARG 17 -5.466 12.634 2.852 138 2HH2 ARG 17 HH22 ARG 17 -5.836 13.817 1.642 139 H GLU 18 HN GLU 18 -7.355 6.544 -2.481 140 HA GLU 18 HA GLU 18 -9.128 8.562 -3.446 141 1HB GLU 18 HB2 GLU 18 -7.046 7.599 -4.512 142 2HB GLU 18 HB1 GLU 18 -8.004 6.193 -4.964 143 1HG GLU 18 HG2 GLU 18 -9.498 7.551 -6.297 144 2HG GLU 18 HG1 GLU 18 -8.736 9.034 -5.727 145 H LEU 19 HN LEU 19 -9.442 5.024 -3.475 146 HA LEU 19 HA LEU 19 -11.891 4.807 -4.900 147 1HB LEU 19 HB2 LEU 19 -10.609 3.181 -2.721 148 2HB LEU 19 HB1 LEU 19 -12.013 2.620 -3.620 149 HG LEU 19 HG LEU 19 -9.422 3.484 -4.929 150 1HD1 LEU 19 HD11 LEU 19 -9.012 1.047 -5.232 151 2HD1 LEU 19 HD12 LEU 19 -10.411 0.707 -4.213 152 3HD1 LEU 19 HD13 LEU 19 -9.000 1.517 -3.533 153 1HD2 LEU 19 HD21 LEU 19 -11.968 2.159 -5.864 154 2HD2 LEU 19 HD22 LEU 19 -10.468 2.024 -6.782 155 3HD2 LEU 19 HD23 LEU 19 -11.191 3.609 -6.501 156 H LYS 20 HN LYS 20 -11.277 5.253 -1.455 157 HA LYS 20 HA LYS 20 -13.973 5.031 -0.538 158 1HB LYS 20 HB2 LYS 20 -11.532 5.110 0.607 159 2HB LYS 20 HB1 LYS 20 -12.019 6.786 0.868 160 1HG LYS 20 HG2 LYS 20 -12.759 5.528 2.785 161 2HG LYS 20 HG1 LYS 20 -14.191 5.904 1.825 162 1HD LYS 20 HD2 LYS 20 -14.272 3.698 0.902 163 2HD LYS 20 HD1 LYS 20 -12.661 3.313 1.506 164 1HE LYS 20 HE2 LYS 20 -14.277 2.251 2.981 165 2HE LYS 20 HE1 LYS 20 -13.589 3.630 3.860 166 1HZ LYS 20 HZ1 LYS 20 -16.054 3.574 3.901 167 2HZ LYS 20 HZ2 LYS 20 -16.057 3.763 2.212 168 3HZ LYS 20 HZ3 LYS 20 -15.427 4.989 3.205 169 H ALA 21 HN ALA 21 -11.975 7.769 -1.566 170 HA ALA 21 HA ALA 21 -13.787 9.885 -0.932 171 1HB ALA 21 HB1 ALA 21 -12.270 11.165 -2.139 172 2HB ALA 21 HB2 ALA 21 -12.123 9.962 -3.421 173 3HB ALA 21 HB3 ALA 21 -11.284 9.725 -1.887 174 H LYS 22 HN LYS 22 -13.701 7.515 -3.537 175 HA LYS 22 HA LYS 22 -15.781 8.937 -5.094 176 1HB LYS 22 HB2 LYS 22 -14.335 6.296 -5.388 177 2HB LYS 22 HB1 LYS 22 -15.579 6.841 -6.514 178 1HG LYS 22 HG2 LYS 22 -14.221 8.974 -6.799 179 2HG LYS 22 HG1 LYS 22 -12.925 8.167 -5.916 180 1HD LYS 22 HD2 LYS 22 -14.220 7.116 -8.451 181 2HD LYS 22 HD1 LYS 22 -12.660 7.934 -8.380 182 1HE LYS 22 HE2 LYS 22 -12.578 5.855 -6.430 183 2HE LYS 22 HE1 LYS 22 -13.226 5.148 -7.922 184 1HZ LYS 22 HZ1 LYS 22 -10.794 5.178 -7.934 185 2HZ LYS 22 HZ2 LYS 22 -10.806 6.866 -7.746 186 3HZ LYS 22 HZ3 LYS 22 -11.428 6.162 -9.161 187 H LYS 23 HN LYS 23 -16.043 7.406 -2.246 188 HA LYS 23 HA LYS 23 -17.803 6.320 -1.121 189 1HB LYS 23 HB2 LYS 23 -19.266 7.190 -3.621 190 2HB LYS 23 HB1 LYS 23 -20.037 6.686 -2.122 191 1HG LYS 23 HG2 LYS 23 -18.105 9.012 -2.338 192 2HG LYS 23 HG1 LYS 23 -19.861 9.178 -2.342 193 1HD LYS 23 HD2 LYS 23 -19.913 7.979 -0.133 194 2HD LYS 23 HD1 LYS 23 -18.150 8.036 -0.118 195 1HE LYS 23 HE2 LYS 23 -18.149 10.454 -0.082 196 2HE LYS 23 HE1 LYS 23 -19.903 10.505 -0.355 197 1HZ LYS 23 HZ1 LYS 23 -19.548 10.705 1.978 198 2HZ LYS 23 HZ2 LYS 23 -18.481 9.382 1.999 199 3HZ LYS 23 HZ3 LYS 23 -20.135 9.138 1.699 200 H ALA 24 HN ALA 24 -16.151 4.911 -3.300 201 HA ALA 24 HA ALA 24 -17.688 2.947 -4.664 202 1HB ALA 24 HB1 ALA 24 -14.891 3.049 -3.517 203 2HB ALA 24 HB2 ALA 24 -15.383 3.235 -5.201 204 3HB ALA 24 HB3 ALA 24 -15.462 1.652 -4.428 205 HA PRO 25 HA PRO 25 -18.989 0.265 -1.402 206 1HB PRO 25 HB2 PRO 25 -18.890 -2.198 -2.578 207 2HB PRO 25 HB1 PRO 25 -20.123 -0.990 -2.995 208 1HG PRO 25 HG2 PRO 25 -17.637 -1.745 -4.451 209 2HG PRO 25 HG1 PRO 25 -19.236 -1.320 -5.085 210 1HD PRO 25 HD2 PRO 25 -17.114 0.408 -5.045 211 2HD PRO 25 HD1 PRO 25 -18.815 0.928 -5.021 212 H LYS 26 HN LYS 26 -18.220 -1.645 -0.063 213 HA LYS 26 HA LYS 26 -15.514 -1.465 0.737 214 1HB LYS 26 HB2 LYS 26 -17.599 -3.653 0.919 215 2HB LYS 26 HB1 LYS 26 -16.048 -3.751 1.757 216 1HG LYS 26 HG2 LYS 26 -17.941 -1.408 2.060 217 2HG LYS 26 HG1 LYS 26 -17.955 -2.804 3.140 218 1HD LYS 26 HD2 LYS 26 -15.513 -2.403 3.585 219 2HD LYS 26 HD1 LYS 26 -15.639 -0.912 2.651 220 1HE LYS 26 HE2 LYS 26 -17.691 -1.256 4.772 221 2HE LYS 26 HE1 LYS 26 -16.030 -0.988 5.336 222 1HZ LYS 26 HZ1 LYS 26 -17.592 0.681 3.445 223 2HZ LYS 26 HZ2 LYS 26 -15.911 0.836 3.636 224 3HZ LYS 26 HZ3 LYS 26 -16.950 1.143 4.944 225 H GLU 27 HN GLU 27 -16.936 -3.194 -1.938 226 HA GLU 27 HA GLU 27 -15.085 -5.263 -2.441 227 1HB GLU 27 HB2 GLU 27 -17.225 -4.838 -3.623 228 2HB GLU 27 HB1 GLU 27 -16.529 -3.395 -4.358 229 1HG GLU 27 HG2 GLU 27 -14.809 -4.795 -5.458 230 2HG GLU 27 HG1 GLU 27 -15.537 -6.223 -4.737 231 H ASP 28 HN ASP 28 -14.966 -1.842 -3.505 232 HA ASP 28 HA ASP 28 -12.432 -2.096 -4.890 233 1HB ASP 28 HB2 ASP 28 -14.085 0.208 -3.828 234 2HB ASP 28 HB1 ASP 28 -12.606 0.451 -4.761 235 H VAL 29 HN VAL 29 -13.358 -0.919 -1.650 236 HA VAL 29 HA VAL 29 -10.720 -0.039 -0.890 237 HB VAL 29 HB VAL 29 -13.079 -0.963 0.788 238 1HG1 VAL 29 HG11 VAL 29 -10.806 0.924 1.473 239 2HG1 VAL 29 HG12 VAL 29 -10.888 -0.760 1.993 240 3HG1 VAL 29 HG13 VAL 29 -12.098 0.396 2.552 241 1HG2 VAL 29 HG21 VAL 29 -13.598 1.488 0.867 242 2HG2 VAL 29 HG22 VAL 29 -13.745 0.810 -0.754 243 3HG2 VAL 29 HG23 VAL 29 -12.324 1.761 -0.322 244 H ASP 30 HN ASP 30 -12.527 -3.053 -0.197 245 HA ASP 30 HA ASP 30 -10.539 -4.345 1.369 246 1HB ASP 30 HB2 ASP 30 -12.709 -5.342 -0.494 247 2HB ASP 30 HB1 ASP 30 -11.787 -6.417 0.559 248 H ALA 31 HN ALA 31 -11.119 -4.525 -2.161 249 HA ALA 31 HA ALA 31 -9.017 -6.366 -2.761 250 1HB ALA 31 HB1 ALA 31 -9.263 -5.118 -5.060 251 2HB ALA 31 HB2 ALA 31 -10.579 -4.268 -4.250 252 3HB ALA 31 HB3 ALA 31 -10.637 -6.022 -4.424 253 H ALA 32 HN ALA 32 -9.060 -2.796 -2.945 254 HA ALA 32 HA ALA 32 -6.311 -2.508 -3.728 255 1HB ALA 32 HB1 ALA 32 -7.774 -0.481 -2.056 256 2HB ALA 32 HB2 ALA 32 -8.389 -0.877 -3.662 257 3HB ALA 32 HB3 ALA 32 -6.760 -0.226 -3.477 258 H VAL 33 HN VAL 33 -7.875 -2.464 -0.501 259 HA VAL 33 HA VAL 33 -5.426 -1.922 0.930 260 HB VAL 33 HB VAL 33 -8.019 -1.774 1.544 261 1HG1 VAL 33 HG11 VAL 33 -8.631 -4.084 1.557 262 2HG1 VAL 33 HG12 VAL 33 -8.587 -3.559 3.233 263 3HG1 VAL 33 HG13 VAL 33 -7.262 -4.515 2.578 264 1HG2 VAL 33 HG21 VAL 33 -6.608 -0.753 3.053 265 2HG2 VAL 33 HG22 VAL 33 -5.613 -2.195 3.259 266 3HG2 VAL 33 HG23 VAL 33 -7.190 -2.091 4.043 267 H LYS 34 HN LYS 34 -7.098 -4.871 -0.090 268 HA LYS 34 HA LYS 34 -5.481 -6.802 1.274 269 1HB LYS 34 HB2 LYS 34 -7.630 -7.244 0.104 270 2HB LYS 34 HB1 LYS 34 -6.847 -6.911 -1.441 271 1HG LYS 34 HG2 LYS 34 -5.333 -8.788 -1.138 272 2HG LYS 34 HG1 LYS 34 -5.962 -9.079 0.484 273 1HD LYS 34 HD2 LYS 34 -8.176 -9.593 -0.443 274 2HD LYS 34 HD1 LYS 34 -7.587 -9.256 -2.072 275 1HE LYS 34 HE2 LYS 34 -6.050 -11.127 -1.982 276 2HE LYS 34 HE1 LYS 34 -6.406 -11.395 -0.264 277 1HZ LYS 34 HZ1 LYS 34 -8.791 -11.622 -0.946 278 2HZ LYS 34 HZ2 LYS 34 -7.779 -12.878 -1.479 279 3HZ LYS 34 HZ3 LYS 34 -8.270 -11.662 -2.559 280 H GLN 35 HN GLN 35 -5.110 -5.073 -1.776 281 HA GLN 35 HA GLN 35 -2.842 -6.420 -2.859 282 1HB GLN 35 HB2 GLN 35 -4.448 -4.607 -3.806 283 2HB GLN 35 HB1 GLN 35 -3.393 -3.447 -3.010 284 1HG GLN 35 HG2 GLN 35 -2.714 -3.739 -5.350 285 2HG GLN 35 HG1 GLN 35 -1.458 -4.340 -4.268 286 1HE2 GLN 35 HE21 GLN 35 -0.621 -6.275 -5.035 287 2HE2 GLN 35 HE22 GLN 35 -1.515 -7.490 -5.814 288 H LEU 36 HN LEU 36 -3.085 -3.673 -0.613 289 HA LEU 36 HA LEU 36 -0.321 -3.026 -0.385 290 1HB LEU 36 HB2 LEU 36 -2.748 -2.801 1.366 291 2HB LEU 36 HB1 LEU 36 -1.173 -2.315 1.984 292 HG LEU 36 HG LEU 36 -2.276 -1.313 -0.625 293 1HD1 LEU 36 HD11 LEU 36 -2.262 0.321 1.889 294 2HD1 LEU 36 HD12 LEU 36 -3.607 -0.778 1.585 295 3HD1 LEU 36 HD13 LEU 36 -3.250 0.516 0.441 296 1HD2 LEU 36 HD21 LEU 36 -0.589 0.530 -0.015 297 2HD2 LEU 36 HD22 LEU 36 0.090 -1.028 -0.479 298 3HD2 LEU 36 HD23 LEU 36 -0.002 -0.574 1.222 299 H LEU 37 HN LEU 37 -2.288 -5.421 1.387 300 HA LEU 37 HA LEU 37 -0.377 -6.186 3.333 301 1HB LEU 37 HB2 LEU 37 -2.559 -7.667 1.888 302 2HB LEU 37 HB1 LEU 37 -1.704 -8.349 3.268 303 HG LEU 37 HG LEU 37 -3.112 -5.666 3.335 304 1HD1 LEU 37 HD11 LEU 37 -4.577 -7.780 2.942 305 2HD1 LEU 37 HD12 LEU 37 -5.014 -6.697 4.264 306 3HD1 LEU 37 HD13 LEU 37 -4.151 -8.197 4.602 307 1HD2 LEU 37 HD21 LEU 37 -1.951 -7.510 5.447 308 2HD2 LEU 37 HD22 LEU 37 -2.954 -6.107 5.817 309 3HD2 LEU 37 HD23 LEU 37 -1.392 -5.890 5.027 310 H SER 38 HN SER 38 -0.840 -7.348 -0.001 311 HA SER 38 HA SER 38 1.153 -9.415 0.063 312 1HB SER 38 HB2 SER 38 0.078 -7.642 -2.154 313 2HB SER 38 HB1 SER 38 1.089 -9.057 -2.437 314 HG SER 38 HG SER 38 -1.558 -8.891 -1.854 315 H LEU 39 HN LEU 39 1.333 -5.941 -0.690 316 HA LEU 39 HA LEU 39 4.106 -5.907 -1.482 317 1HB LEU 39 HB2 LEU 39 2.456 -3.697 -0.209 318 2HB LEU 39 HB1 LEU 39 3.862 -3.498 -1.251 319 HG LEU 39 HG LEU 39 1.133 -4.545 -2.039 320 1HD1 LEU 39 HD11 LEU 39 2.782 -2.155 -2.879 321 2HD1 LEU 39 HD12 LEU 39 1.290 -2.127 -1.939 322 3HD1 LEU 39 HD13 LEU 39 1.260 -2.631 -3.629 323 1HD2 LEU 39 HD21 LEU 39 2.510 -5.902 -3.367 324 2HD2 LEU 39 HD22 LEU 39 3.797 -4.698 -3.430 325 3HD2 LEU 39 HD23 LEU 39 2.334 -4.477 -4.390 326 H LYS 40 HN LYS 40 2.499 -5.039 1.585 327 HA LYS 40 HA LYS 40 4.859 -4.542 3.121 328 1HB LYS 40 HB2 LYS 40 2.102 -5.574 3.845 329 2HB LYS 40 HB1 LYS 40 3.273 -5.001 5.024 330 1HG LYS 40 HG2 LYS 40 3.317 -2.797 3.915 331 2HG LYS 40 HG1 LYS 40 2.136 -3.370 2.735 332 1HD LYS 40 HD2 LYS 40 0.806 -2.258 4.330 333 2HD LYS 40 HD1 LYS 40 0.677 -3.953 4.804 334 1HE LYS 40 HE2 LYS 40 2.527 -3.597 6.454 335 2HE LYS 40 HE1 LYS 40 2.514 -1.871 6.038 336 1HZ LYS 40 HZ1 LYS 40 0.125 -1.839 6.545 337 2HZ LYS 40 HZ2 LYS 40 1.057 -2.250 7.905 338 3HZ LYS 40 HZ3 LYS 40 0.212 -3.455 7.055 339 H ALA 41 HN ALA 41 2.990 -7.510 2.529 340 HA ALA 41 HA ALA 41 4.317 -9.245 4.348 341 1HB ALA 41 HB1 ALA 41 2.307 -9.978 3.347 342 2HB ALA 41 HB2 ALA 41 3.536 -10.976 2.569 343 3HB ALA 41 HB3 ALA 41 2.869 -9.579 1.723 344 H GLU 42 HN GLU 42 5.107 -8.474 0.929 345 HA GLU 42 HA GLU 42 7.312 -10.342 0.771 346 1HB GLU 42 HB2 GLU 42 6.511 -7.852 -0.764 347 2HB GLU 42 HB1 GLU 42 7.840 -8.906 -1.258 348 1HG GLU 42 HG2 GLU 42 6.287 -10.821 -1.367 349 2HG GLU 42 HG1 GLU 42 4.958 -9.775 -0.874 350 H TYR 43 HN TYR 43 7.154 -6.835 1.441 351 HA TYR 43 HA TYR 43 9.956 -6.358 1.578 352 1HB TYR 43 HB2 TYR 43 7.553 -4.945 1.873 353 2HB TYR 43 HB1 TYR 43 8.375 -4.734 3.416 354 HD1 TYR 43 HD1 TYR 43 11.259 -4.935 2.275 355 HD2 TYR 43 HD2 TYR 43 7.797 -2.701 1.058 356 HE1 TYR 43 HE1 TYR 43 12.729 -3.216 1.277 357 HE2 TYR 43 HE2 TYR 43 9.268 -0.983 0.047 358 HH TYR 43 HH TYR 43 12.374 -0.578 0.737 359 H LYS 44 HN LYS 44 7.681 -7.053 4.273 360 HA LYS 44 HA LYS 44 9.570 -6.885 6.383 361 1HB LYS 44 HB2 LYS 44 7.879 -8.165 7.640 362 2HB LYS 44 HB1 LYS 44 7.116 -6.940 6.629 363 1HG LYS 44 HG2 LYS 44 6.533 -8.599 4.958 364 2HG LYS 44 HG1 LYS 44 7.451 -9.838 5.810 365 1HD LYS 44 HD2 LYS 44 5.087 -10.107 6.335 366 2HD LYS 44 HD1 LYS 44 5.936 -9.551 7.777 367 1HE LYS 44 HE2 LYS 44 5.104 -7.326 7.540 368 2HE LYS 44 HE1 LYS 44 4.568 -7.627 5.874 369 1HZ LYS 44 HZ1 LYS 44 3.521 -8.925 8.335 370 2HZ LYS 44 HZ2 LYS 44 3.088 -9.371 6.754 371 3HZ LYS 44 HZ3 LYS 44 2.690 -7.828 7.343 372 H GLU 45 HN GLU 45 9.087 -9.434 4.042 373 HA GLU 45 HA GLU 45 10.163 -11.649 5.468 374 1HB GLU 45 HB2 GLU 45 10.152 -10.849 2.548 375 2HB GLU 45 HB1 GLU 45 10.700 -12.431 3.104 376 1HG GLU 45 HG2 GLU 45 8.030 -11.359 3.973 377 2HG GLU 45 HG1 GLU 45 8.198 -12.161 2.411 378 H LYS 46 HN LYS 46 11.841 -9.085 3.593 379 HA LYS 46 HA LYS 46 14.457 -10.274 3.826 380 1HB LYS 46 HB2 LYS 46 13.547 -7.406 3.422 381 2HB LYS 46 HB1 LYS 46 15.190 -7.987 3.160 382 1HG LYS 46 HG2 LYS 46 14.370 -9.573 1.460 383 2HG LYS 46 HG1 LYS 46 12.724 -8.994 1.717 384 1HD LYS 46 HD2 LYS 46 13.406 -6.727 1.024 385 2HD LYS 46 HD1 LYS 46 15.053 -7.303 0.764 386 1HE LYS 46 HE2 LYS 46 14.357 -8.744 -1.038 387 2HE LYS 46 HE1 LYS 46 12.642 -8.465 -0.670 388 1HZ LYS 46 HZ1 LYS 46 14.593 -6.356 -1.436 389 2HZ LYS 46 HZ2 LYS 46 12.939 -6.125 -1.123 390 3HZ LYS 46 HZ3 LYS 46 13.432 -7.025 -2.476 391 H THR 47 HN THR 47 13.126 -7.400 5.581 392 HA THR 47 HA THR 47 14.344 -8.340 8.099 393 HB THR 47 HB THR 47 15.329 -5.823 6.722 394 HG1 THR 47 HG1 THR 47 16.319 -7.368 5.630 395 1HG2 THR 47 HG21 THR 47 17.166 -6.244 8.546 396 2HG2 THR 47 HG22 THR 47 15.895 -7.172 9.341 397 3HG2 THR 47 HG23 THR 47 15.655 -5.458 9.000 398 H GLY 48 HN GLY 48 11.600 -7.683 7.525 399 1HA GLY 48 HA2 GLY 48 9.850 -6.431 8.511 400 2HA GLY 48 HA1 GLY 48 11.056 -5.778 9.627 401 H GLN 49 HN GLN 49 11.013 -5.569 6.103 402 HA GLN 49 HA GLN 49 11.371 -2.629 6.275 403 1HB GLN 49 HB2 GLN 49 11.632 -4.765 4.179 404 2HB GLN 49 HB1 GLN 49 11.904 -3.057 3.822 405 1HG GLN 49 HG2 GLN 49 13.638 -2.975 5.586 406 2HG GLN 49 HG1 GLN 49 13.381 -4.688 5.914 407 1HE2 GLN 49 HE21 GLN 49 15.617 -2.849 4.504 408 2HE2 GLN 49 HE22 GLN 49 16.062 -3.820 3.184 409 H GLU 50 HN GLU 50 8.721 -4.018 6.665 410 HA GLU 50 HA GLU 50 6.940 -3.863 4.493 411 1HB GLU 50 HB2 GLU 50 5.230 -3.473 6.263 412 2HB GLU 50 HB1 GLU 50 6.380 -4.729 6.717 413 1HG GLU 50 HG2 GLU 50 7.653 -3.084 8.051 414 2HG GLU 50 HG1 GLU 50 6.505 -1.826 7.599 415 H TYR 51 HN TYR 51 5.102 -2.079 4.463 416 HA TYR 51 HA TYR 51 6.120 0.294 3.341 417 1HB TYR 51 HB2 TYR 51 3.877 -0.514 2.947 418 2HB TYR 51 HB1 TYR 51 3.476 -0.389 4.657 419 HD1 TYR 51 HD1 TYR 51 5.080 1.936 2.174 420 HD2 TYR 51 HD2 TYR 51 1.955 1.321 5.054 421 HE1 TYR 51 HE1 TYR 51 4.304 4.266 1.828 422 HE2 TYR 51 HE2 TYR 51 1.179 3.651 4.709 423 HH TYR 51 HH TYR 51 1.303 5.411 3.098 424 H LYS 52 HN LYS 52 7.558 1.533 4.533 425 HA LYS 52 HA LYS 52 7.240 2.174 7.346 426 1HB LYS 52 HB2 LYS 52 8.871 3.313 5.057 427 2HB LYS 52 HB1 LYS 52 9.050 3.855 6.726 428 1HG LYS 52 HG2 LYS 52 9.301 1.292 7.240 429 2HG LYS 52 HG1 LYS 52 9.701 1.176 5.527 430 1HD LYS 52 HD2 LYS 52 11.082 3.370 6.939 431 2HD LYS 52 HD1 LYS 52 11.509 1.759 7.515 432 1HE LYS 52 HE2 LYS 52 12.342 1.087 5.413 433 2HE LYS 52 HE1 LYS 52 11.458 2.364 4.554 434 1HZ LYS 52 HZ1 LYS 52 13.504 2.963 6.614 435 2HZ LYS 52 HZ2 LYS 52 12.830 4.019 5.466 436 3HZ LYS 52 HZ3 LYS 52 13.902 2.797 4.973 437 HA PRO 53 HA PRO 53 4.391 5.510 6.877 438 1HB PRO 53 HB2 PRO 53 5.012 7.077 9.017 439 2HB PRO 53 HB1 PRO 53 4.178 5.518 9.163 440 1HG PRO 53 HG2 PRO 53 7.011 6.203 9.702 441 2HG PRO 53 HG1 PRO 53 5.957 5.030 10.504 442 1HD PRO 53 HD2 PRO 53 7.901 4.409 8.634 443 2HD PRO 53 HD1 PRO 53 6.529 3.367 9.072 444 H GLY 54 HN GLY 54 4.456 8.120 7.147 445 1HA GLY 54 HA2 GLY 54 5.331 10.166 6.419 446 2HA GLY 54 HA1 GLY 54 6.926 9.427 6.386 447 H ASN 55 HN ASN 55 4.839 7.502 4.553 448 HA ASN 55 HA ASN 55 4.652 7.158 2.226 449 1HB ASN 55 HB2 ASN 55 4.100 9.942 2.887 450 2HB ASN 55 HB1 ASN 55 4.733 9.801 1.247 451 1HD2 ASN 55 HD21 ASN 55 2.654 7.510 3.094 452 2HD2 ASN 55 HD22 ASN 55 1.381 7.525 1.963 453 HA PRO 56 HA PRO 56 8.595 7.418 0.262 454 1HB PRO 56 HB2 PRO 56 8.054 8.115 -2.338 455 2HB PRO 56 HB1 PRO 56 7.733 6.499 -1.678 456 1HG PRO 56 HG2 PRO 56 5.857 8.765 -2.134 457 2HG PRO 56 HG1 PRO 56 5.612 7.029 -2.383 458 1HD PRO 56 HD2 PRO 56 4.636 8.363 -0.235 459 2HD PRO 56 HD1 PRO 56 5.103 6.648 -0.180 460 HA PRO 57 HA PRO 57 9.858 11.652 0.476 461 1HB PRO 57 HB2 PRO 57 12.281 11.527 -0.799 462 2HB PRO 57 HB1 PRO 57 12.019 10.918 0.849 463 1HG PRO 57 HG2 PRO 57 12.100 9.418 -1.729 464 2HG PRO 57 HG1 PRO 57 12.801 8.996 -0.157 465 1HD PRO 57 HD2 PRO 57 10.499 7.903 -1.048 466 2HD PRO 57 HD1 PRO 57 10.800 8.216 0.678 Start of MODEL 10 1 2H ASP 1 HN2 ASP 1 14.966 0.306 -8.033 2 H ASP 1 H ASP 1 16.418 0.348 -8.915 3 HA ASP 1 HA ASP 1 17.606 0.616 -6.712 4 1HB ASP 1 HB2 ASP 1 16.347 2.358 -8.548 5 2HB ASP 1 HB1 ASP 1 15.999 3.029 -6.956 6 H SER 2 HN SER 2 17.267 1.555 -4.551 7 HA SER 2 HA SER 2 15.210 0.286 -3.033 8 1HB SER 2 HB2 SER 2 16.921 2.723 -2.445 9 2HB SER 2 HB1 SER 2 16.076 1.762 -1.235 10 HG SER 2 HG SER 2 17.396 0.062 -1.664 11 H LEU 3 HN LEU 3 15.456 3.612 -4.314 12 HA LEU 3 HA LEU 3 13.132 4.710 -3.053 13 1HB LEU 3 HB2 LEU 3 14.929 5.959 -4.246 14 2HB LEU 3 HB1 LEU 3 14.355 5.301 -5.769 15 HG LEU 3 HG LEU 3 12.118 6.329 -5.324 16 1HD1 LEU 3 HD11 LEU 3 13.616 7.546 -2.986 17 2HD1 LEU 3 HD12 LEU 3 12.207 6.487 -2.907 18 3HD1 LEU 3 HD13 LEU 3 12.050 8.116 -3.564 19 1HD2 LEU 3 HD21 LEU 3 14.319 8.406 -5.200 20 2HD2 LEU 3 HD22 LEU 3 12.754 8.535 -6.003 21 3HD2 LEU 3 HD23 LEU 3 13.990 7.457 -6.651 22 H VAL 4 HN VAL 4 13.569 3.018 -6.138 23 HA VAL 4 HA VAL 4 10.934 3.306 -7.182 24 HB VAL 4 HB VAL 4 13.074 1.174 -7.458 25 1HG1 VAL 4 HG11 VAL 4 11.365 -0.084 -8.331 26 2HG1 VAL 4 HG12 VAL 4 11.650 0.928 -9.747 27 3HG1 VAL 4 HG13 VAL 4 10.343 1.322 -8.630 28 1HG2 VAL 4 HG21 VAL 4 12.220 3.206 -9.510 29 2HG2 VAL 4 HG22 VAL 4 13.765 2.369 -9.360 30 3HG2 VAL 4 HG23 VAL 4 13.343 3.651 -8.225 31 H LEU 5 HN LEU 5 12.274 0.800 -4.999 32 HA LEU 5 HA LEU 5 10.000 -0.925 -4.922 33 1HB LEU 5 HB2 LEU 5 12.123 -0.201 -2.879 34 2HB LEU 5 HB1 LEU 5 11.007 -1.554 -2.689 35 HG LEU 5 HG LEU 5 12.710 -1.254 -5.160 36 1HD1 LEU 5 HD11 LEU 5 13.910 -1.418 -2.778 37 2HD1 LEU 5 HD12 LEU 5 14.503 -2.322 -4.171 38 3HD1 LEU 5 HD13 LEU 5 13.496 -3.122 -2.963 39 1HD2 LEU 5 HD21 LEU 5 10.710 -2.798 -5.105 40 2HD2 LEU 5 HD22 LEU 5 11.511 -3.691 -3.812 41 3HD2 LEU 5 HD23 LEU 5 12.242 -3.614 -5.415 42 H TYR 6 HN TYR 6 10.837 1.905 -2.916 43 HA TYR 6 HA TYR 6 8.594 1.826 -1.142 44 1HB TYR 6 HB2 TYR 6 10.653 3.744 -2.071 45 2HB TYR 6 HB1 TYR 6 9.186 4.488 -1.437 46 HD1 TYR 6 HD1 TYR 6 9.055 4.869 0.839 47 HD2 TYR 6 HD2 TYR 6 11.550 1.683 -0.595 48 HE1 TYR 6 HE1 TYR 6 9.801 4.410 3.160 49 HE2 TYR 6 HE2 TYR 6 12.296 1.220 1.725 50 HH TYR 6 HH TYR 6 11.840 3.347 4.260 51 H ASN 7 HN ASN 7 9.016 3.281 -4.357 52 HA ASN 7 HA ASN 7 6.549 4.701 -4.503 53 1HB ASN 7 HB2 ASN 7 8.286 3.346 -6.587 54 2HB ASN 7 HB1 ASN 7 6.965 4.444 -6.981 55 1HD2 ASN 7 HD21 ASN 7 7.193 6.545 -5.283 56 2HD2 ASN 7 HD22 ASN 7 8.729 7.262 -5.367 57 H ARG 8 HN ARG 8 7.324 1.298 -5.350 58 HA ARG 8 HA ARG 8 4.824 0.605 -6.535 59 1HB ARG 8 HB2 ARG 8 6.905 -0.736 -6.622 60 2HB ARG 8 HB1 ARG 8 6.749 -1.084 -4.900 61 1HG ARG 8 HG2 ARG 8 5.857 -2.977 -6.129 62 2HG ARG 8 HG1 ARG 8 4.503 -2.122 -5.389 63 1HD ARG 8 HD2 ARG 8 4.022 -0.975 -7.507 64 2HD ARG 8 HD1 ARG 8 5.421 -1.759 -8.266 65 HE ARG 8 HE ARG 8 3.642 -3.698 -7.035 66 1HH1 ARG 8 HH11 ARG 8 5.152 -3.050 -9.866 67 2HH1 ARG 8 HH12 ARG 8 3.836 -3.464 -10.914 68 1HH2 ARG 8 HH21 ARG 8 1.507 -3.650 -8.354 69 2HH2 ARG 8 HH22 ARG 8 1.776 -3.802 -10.058 70 H VAL 9 HN VAL 9 5.879 0.160 -3.111 71 HA VAL 9 HA VAL 9 3.283 -0.798 -2.262 72 HB VAL 9 HB VAL 9 4.246 -0.584 -0.025 73 1HG1 VAL 9 HG11 VAL 9 6.770 -1.396 -1.081 74 2HG1 VAL 9 HG12 VAL 9 5.521 -1.942 -2.199 75 3HG1 VAL 9 HG13 VAL 9 5.452 -2.414 -0.502 76 1HG2 VAL 9 HG21 VAL 9 6.486 0.481 0.286 77 2HG2 VAL 9 HG22 VAL 9 5.233 1.636 -0.168 78 3HG2 VAL 9 HG23 VAL 9 6.392 1.071 -1.370 79 H ALA 10 HN ALA 10 4.936 2.322 -2.253 80 HA ALA 10 HA ALA 10 3.055 3.889 -0.815 81 1HB ALA 10 HB1 ALA 10 4.196 5.760 -2.043 82 2HB ALA 10 HB2 ALA 10 4.986 4.549 -3.054 83 3HB ALA 10 HB3 ALA 10 5.314 4.602 -1.322 84 H VAL 11 HN VAL 11 3.319 3.517 -4.401 85 HA VAL 11 HA VAL 11 1.161 5.239 -5.044 86 HB VAL 11 HB VAL 11 1.223 4.094 -7.224 87 1HG1 VAL 11 HG11 VAL 11 4.013 4.062 -7.106 88 2HG1 VAL 11 HG12 VAL 11 3.540 5.154 -5.804 89 3HG1 VAL 11 HG13 VAL 11 2.998 5.463 -7.453 90 1HG2 VAL 11 HG21 VAL 11 2.814 2.070 -5.672 91 2HG2 VAL 11 HG22 VAL 11 2.943 2.198 -7.421 92 3HG2 VAL 11 HG23 VAL 11 1.396 1.794 -6.675 93 H GLN 12 HN GLN 12 1.071 1.671 -4.546 94 HA GLN 12 HA GLN 12 -1.699 1.333 -5.177 95 1HB GLN 12 HB2 GLN 12 0.213 -0.107 -3.318 96 2HB GLN 12 HB1 GLN 12 -1.403 -0.716 -3.686 97 1HG GLN 12 HG2 GLN 12 0.708 -0.075 -5.769 98 2HG GLN 12 HG1 GLN 12 0.357 -1.695 -5.168 99 1HE2 GLN 12 HE21 GLN 12 -2.269 -2.075 -5.218 100 2HE2 GLN 12 HE22 GLN 12 -2.976 -1.688 -6.713 101 H GLY 13 HN GLY 13 -0.163 1.800 -1.975 102 1HA GLY 13 HA2 GLY 13 -2.320 1.796 -0.255 103 2HA GLY 13 HA1 GLY 13 -0.973 2.939 -0.066 104 H ASP 14 HN ASP 14 -1.286 4.460 -2.319 105 HA ASP 14 HA ASP 14 -3.232 6.410 -1.509 106 1HB ASP 14 HB2 ASP 14 -1.568 5.949 -3.997 107 2HB ASP 14 HB1 ASP 14 -2.561 7.392 -3.771 108 H VAL 15 HN VAL 15 -3.244 3.907 -4.038 109 HA VAL 15 HA VAL 15 -5.578 4.727 -5.443 110 HB VAL 15 HB VAL 15 -4.349 1.997 -4.911 111 1HG1 VAL 15 HG11 VAL 15 -6.572 1.564 -5.696 112 2HG1 VAL 15 HG12 VAL 15 -5.517 1.407 -7.101 113 3HG1 VAL 15 HG13 VAL 15 -6.478 2.869 -6.879 114 1HG2 VAL 15 HG21 VAL 15 -3.900 4.218 -6.862 115 2HG2 VAL 15 HG22 VAL 15 -3.689 2.562 -7.429 116 3HG2 VAL 15 HG23 VAL 15 -2.725 3.161 -6.079 117 H VAL 16 HN VAL 16 -5.243 2.630 -2.556 118 HA VAL 16 HA VAL 16 -8.001 1.881 -2.312 119 HB VAL 16 HB VAL 16 -5.744 2.278 -0.320 120 1HG1 VAL 16 HG11 VAL 16 -7.090 0.888 1.232 121 2HG1 VAL 16 HG12 VAL 16 -8.432 0.927 0.089 122 3HG1 VAL 16 HG13 VAL 16 -7.897 2.414 0.872 123 1HG2 VAL 16 HG21 VAL 16 -5.386 -0.056 -0.566 124 2HG2 VAL 16 HG22 VAL 16 -5.660 0.521 -2.209 125 3HG2 VAL 16 HG23 VAL 16 -6.955 -0.297 -1.335 126 H ARG 17 HN ARG 17 -6.173 4.635 -0.929 127 HA ARG 17 HA ARG 17 -8.296 5.869 0.524 128 1HB ARG 17 HB2 ARG 17 -5.871 6.402 0.687 129 2HB ARG 17 HB1 ARG 17 -5.931 7.106 -0.929 130 1HG ARG 17 HG2 ARG 17 -7.584 8.768 -0.150 131 2HG ARG 17 HG1 ARG 17 -7.525 8.067 1.467 132 1HD ARG 17 HD2 ARG 17 -5.150 8.646 1.675 133 2HD ARG 17 HD1 ARG 17 -5.143 9.285 0.019 134 HE ARG 17 HE ARG 17 -7.103 10.784 0.968 135 1HH1 ARG 17 HH11 ARG 17 -4.386 11.968 1.220 136 2HH1 ARG 17 HH12 ARG 17 -4.287 12.319 2.913 137 1HH2 ARG 17 HH21 ARG 17 -6.933 10.250 3.771 138 2HH2 ARG 17 HH22 ARG 17 -5.726 11.346 4.356 139 H GLU 18 HN GLU 18 -7.282 6.252 -2.871 140 HA GLU 18 HA GLU 18 -8.961 8.435 -3.601 141 1HB GLU 18 HB2 GLU 18 -7.061 7.328 -4.871 142 2HB GLU 18 HB1 GLU 18 -8.182 6.038 -5.288 143 1HG GLU 18 HG2 GLU 18 -9.618 7.555 -6.483 144 2HG GLU 18 HG1 GLU 18 -8.726 8.955 -5.892 145 H LEU 19 HN LEU 19 -9.560 4.931 -3.666 146 HA LEU 19 HA LEU 19 -12.151 4.967 -4.844 147 1HB LEU 19 HB2 LEU 19 -10.791 3.148 -2.871 148 2HB LEU 19 HB1 LEU 19 -12.337 2.753 -3.615 149 HG LEU 19 HG LEU 19 -9.819 3.415 -5.166 150 1HD1 LEU 19 HD11 LEU 19 -9.518 1.080 -5.529 151 2HD1 LEU 19 HD12 LEU 19 -11.094 0.694 -4.839 152 3HD1 LEU 19 HD13 LEU 19 -9.785 1.250 -3.794 153 1HD2 LEU 19 HD21 LEU 19 -12.596 2.473 -5.904 154 2HD2 LEU 19 HD22 LEU 19 -11.223 2.277 -6.994 155 3HD2 LEU 19 HD23 LEU 19 -11.733 3.891 -6.499 156 H LYS 20 HN LYS 20 -11.171 5.276 -1.434 157 HA LYS 20 HA LYS 20 -13.758 5.212 -0.256 158 1HB LYS 20 HB2 LYS 20 -11.172 6.609 0.502 159 2HB LYS 20 HB1 LYS 20 -12.559 6.492 1.580 160 1HG LYS 20 HG2 LYS 20 -11.051 4.145 0.390 161 2HG LYS 20 HG1 LYS 20 -10.922 4.708 2.054 162 1HD LYS 20 HD2 LYS 20 -13.576 4.401 1.970 163 2HD LYS 20 HD1 LYS 20 -13.148 3.231 0.715 164 1HE LYS 20 HE2 LYS 20 -11.586 2.120 2.290 165 2HE LYS 20 HE1 LYS 20 -12.052 3.272 3.553 166 1HZ LYS 20 HZ1 LYS 20 -14.415 2.598 3.057 167 2HZ LYS 20 HZ2 LYS 20 -13.464 1.422 3.830 168 3HZ LYS 20 HZ3 LYS 20 -13.779 1.303 2.166 169 H ALA 21 HN ALA 21 -11.793 7.899 -1.483 170 HA ALA 21 HA ALA 21 -13.655 10.019 -0.914 171 1HB ALA 21 HB1 ALA 21 -11.108 9.808 -1.857 172 2HB ALA 21 HB2 ALA 21 -12.071 11.275 -2.026 173 3HB ALA 21 HB3 ALA 21 -11.965 10.131 -3.364 174 H LYS 22 HN LYS 22 -13.440 7.547 -3.393 175 HA LYS 22 HA LYS 22 -15.430 8.806 -5.165 176 1HB LYS 22 HB2 LYS 22 -14.008 6.127 -5.091 177 2HB LYS 22 HB1 LYS 22 -15.082 6.632 -6.393 178 1HG LYS 22 HG2 LYS 22 -12.713 8.299 -5.535 179 2HG LYS 22 HG1 LYS 22 -12.579 7.041 -6.764 180 1HD LYS 22 HD2 LYS 22 -14.374 8.138 -8.065 181 2HD LYS 22 HD1 LYS 22 -14.459 9.415 -6.852 182 1HE LYS 22 HE2 LYS 22 -12.130 10.050 -7.312 183 2HE LYS 22 HE1 LYS 22 -11.990 8.730 -8.490 184 1HZ LYS 22 HZ1 LYS 22 -12.617 10.946 -9.454 185 2HZ LYS 22 HZ2 LYS 22 -14.098 10.813 -8.633 186 3HZ LYS 22 HZ3 LYS 22 -13.678 9.677 -9.825 187 H LYS 23 HN LYS 23 -15.819 7.453 -2.193 188 HA LYS 23 HA LYS 23 -17.622 6.413 -1.088 189 1HB LYS 23 HB2 LYS 23 -18.984 7.158 -3.682 190 2HB LYS 23 HB1 LYS 23 -19.817 6.720 -2.195 191 1HG LYS 23 HG2 LYS 23 -17.841 9.007 -2.344 192 2HG LYS 23 HG1 LYS 23 -19.571 9.225 -2.613 193 1HD LYS 23 HD2 LYS 23 -18.828 7.699 -0.176 194 2HD LYS 23 HD1 LYS 23 -18.416 9.412 -0.162 195 1HE LYS 23 HE2 LYS 23 -20.581 9.956 0.226 196 2HE LYS 23 HE1 LYS 23 -21.090 9.077 -1.228 197 1HZ LYS 23 HZ1 LYS 23 -20.656 7.992 1.498 198 2HZ LYS 23 HZ2 LYS 23 -20.747 6.992 0.126 199 3HZ LYS 23 HZ3 LYS 23 -22.077 7.948 0.574 200 H ALA 24 HN ALA 24 -15.880 4.920 -3.139 201 HA ALA 24 HA ALA 24 -17.394 2.889 -4.445 202 1HB ALA 24 HB1 ALA 24 -14.656 2.564 -3.195 203 2HB ALA 24 HB2 ALA 24 -14.919 3.540 -4.640 204 3HB ALA 24 HB3 ALA 24 -15.268 1.811 -4.668 205 HA PRO 25 HA PRO 25 -18.778 0.453 -1.029 206 1HB PRO 25 HB2 PRO 25 -19.013 -1.996 -2.230 207 2HB PRO 25 HB1 PRO 25 -20.165 -0.671 -2.490 208 1HG PRO 25 HG2 PRO 25 -17.921 -1.593 -4.213 209 2HG PRO 25 HG1 PRO 25 -19.537 -1.030 -4.667 210 1HD PRO 25 HD2 PRO 25 -17.310 0.522 -4.851 211 2HD PRO 25 HD1 PRO 25 -18.939 1.179 -4.576 212 H LYS 26 HN LYS 26 -18.151 -1.531 0.226 213 HA LYS 26 HA LYS 26 -15.414 -1.582 0.917 214 1HB LYS 26 HB2 LYS 26 -17.630 -3.629 1.226 215 2HB LYS 26 HB1 LYS 26 -16.095 -3.706 2.095 216 1HG LYS 26 HG2 LYS 26 -17.937 -1.304 2.191 217 2HG LYS 26 HG1 LYS 26 -17.993 -2.608 3.375 218 1HD LYS 26 HD2 LYS 26 -15.282 -1.551 2.891 219 2HD LYS 26 HD1 LYS 26 -16.397 -0.374 3.581 220 1HE LYS 26 HE2 LYS 26 -16.925 -1.894 5.428 221 2HE LYS 26 HE1 LYS 26 -15.894 -3.150 4.713 222 1HZ LYS 26 HZ1 LYS 26 -14.023 -1.612 4.810 223 2HZ LYS 26 HZ2 LYS 26 -14.664 -1.877 6.361 224 3HZ LYS 26 HZ3 LYS 26 -15.006 -0.434 5.533 225 H GLU 27 HN GLU 27 -17.156 -3.464 -1.510 226 HA GLU 27 HA GLU 27 -15.271 -5.546 -1.958 227 1HB GLU 27 HB2 GLU 27 -17.239 -4.080 -3.729 228 2HB GLU 27 HB1 GLU 27 -16.355 -5.507 -4.274 229 1HG GLU 27 HG2 GLU 27 -17.314 -6.863 -2.533 230 2HG GLU 27 HG1 GLU 27 -18.013 -5.454 -1.742 231 H ASP 28 HN ASP 28 -15.415 -2.244 -3.305 232 HA ASP 28 HA ASP 28 -13.152 -2.574 -5.094 233 1HB ASP 28 HB2 ASP 28 -14.766 -0.321 -3.928 234 2HB ASP 28 HB1 ASP 28 -13.294 0.050 -4.830 235 H VAL 29 HN VAL 29 -13.542 -1.167 -1.840 236 HA VAL 29 HA VAL 29 -10.783 -0.375 -1.534 237 HB VAL 29 HB VAL 29 -13.028 -0.956 0.429 238 1HG1 VAL 29 HG11 VAL 29 -10.612 0.772 0.974 239 2HG1 VAL 29 HG12 VAL 29 -10.605 -0.947 1.361 240 3HG1 VAL 29 HG13 VAL 29 -11.777 0.124 2.125 241 1HG2 VAL 29 HG21 VAL 29 -13.634 1.277 0.192 242 2HG2 VAL 29 HG22 VAL 29 -13.089 0.911 -1.444 243 3HG2 VAL 29 HG23 VAL 29 -12.022 1.765 -0.330 244 H ASP 30 HN ASP 30 -12.600 -3.299 -0.559 245 HA ASP 30 HA ASP 30 -10.575 -4.546 0.990 246 1HB ASP 30 HB2 ASP 30 -12.807 -5.599 -0.764 247 2HB ASP 30 HB1 ASP 30 -11.843 -6.647 0.278 248 H ALA 31 HN ALA 31 -11.244 -4.905 -2.520 249 HA ALA 31 HA ALA 31 -9.132 -6.752 -3.053 250 1HB ALA 31 HB1 ALA 31 -11.009 -6.275 -4.570 251 2HB ALA 31 HB2 ALA 31 -9.479 -5.981 -5.397 252 3HB ALA 31 HB3 ALA 31 -10.427 -4.624 -4.789 253 H ALA 32 HN ALA 32 -9.200 -3.197 -3.407 254 HA ALA 32 HA ALA 32 -6.456 -2.947 -4.238 255 1HB ALA 32 HB1 ALA 32 -6.866 -0.541 -3.619 256 2HB ALA 32 HB2 ALA 32 -8.399 -1.035 -2.898 257 3HB ALA 32 HB3 ALA 32 -8.137 -1.228 -4.631 258 H VAL 33 HN VAL 33 -7.987 -2.763 -0.997 259 HA VAL 33 HA VAL 33 -5.557 -2.019 0.365 260 HB VAL 33 HB VAL 33 -8.127 -1.987 1.030 261 1HG1 VAL 33 HG11 VAL 33 -8.559 -3.741 2.806 262 2HG1 VAL 33 HG12 VAL 33 -7.212 -4.653 2.136 263 3HG1 VAL 33 HG13 VAL 33 -8.634 -4.323 1.150 264 1HG2 VAL 33 HG21 VAL 33 -6.216 -2.642 3.249 265 2HG2 VAL 33 HG22 VAL 33 -7.468 -1.401 3.190 266 3HG2 VAL 33 HG23 VAL 33 -5.979 -1.196 2.268 267 H LYS 34 HN LYS 34 -7.039 -5.140 -0.485 268 HA LYS 34 HA LYS 34 -5.210 -6.851 0.922 269 1HB LYS 34 HB2 LYS 34 -6.839 -7.122 -1.618 270 2HB LYS 34 HB1 LYS 34 -5.935 -8.469 -0.923 271 1HG LYS 34 HG2 LYS 34 -7.849 -6.877 0.772 272 2HG LYS 34 HG1 LYS 34 -8.438 -8.190 -0.250 273 1HD LYS 34 HD2 LYS 34 -6.727 -9.688 0.842 274 2HD LYS 34 HD1 LYS 34 -6.373 -8.370 1.960 275 1HE LYS 34 HE2 LYS 34 -8.778 -8.345 2.646 276 2HE LYS 34 HE1 LYS 34 -9.055 -9.755 1.603 277 1HZ LYS 34 HZ1 LYS 34 -7.227 -10.883 2.790 278 2HZ LYS 34 HZ2 LYS 34 -8.538 -10.519 3.808 279 3HZ LYS 34 HZ3 LYS 34 -7.129 -9.570 3.859 280 H GLN 35 HN GLN 35 -5.093 -5.327 -2.283 281 HA GLN 35 HA GLN 35 -2.703 -6.554 -3.262 282 1HB GLN 35 HB2 GLN 35 -4.483 -5.051 -4.415 283 2HB GLN 35 HB1 GLN 35 -3.581 -3.695 -3.744 284 1HG GLN 35 HG2 GLN 35 -2.829 -4.168 -6.038 285 2HG GLN 35 HG1 GLN 35 -1.534 -4.474 -4.882 286 1HE2 GLN 35 HE21 GLN 35 -0.417 -6.308 -5.563 287 2HE2 GLN 35 HE22 GLN 35 -1.139 -7.733 -6.136 288 H LEU 36 HN LEU 36 -3.145 -3.392 -1.644 289 HA LEU 36 HA LEU 36 -0.371 -2.759 -1.403 290 1HB LEU 36 HB2 LEU 36 -1.414 -0.848 -0.814 291 2HB LEU 36 HB1 LEU 36 -2.942 -1.698 -0.691 292 HG LEU 36 HG LEU 36 -2.272 -2.345 1.673 293 1HD1 LEU 36 HD11 LEU 36 0.217 -1.534 0.939 294 2HD1 LEU 36 HD12 LEU 36 -0.325 -1.599 2.616 295 3HD1 LEU 36 HD13 LEU 36 -0.365 -0.072 1.736 296 1HD2 LEU 36 HD21 LEU 36 -3.439 -0.530 2.388 297 2HD2 LEU 36 HD22 LEU 36 -3.497 -0.073 0.687 298 3HD2 LEU 36 HD23 LEU 36 -2.253 0.602 1.739 299 H LEU 37 HN LEU 37 -2.562 -4.548 0.774 300 HA LEU 37 HA LEU 37 -0.785 -4.876 2.980 301 1HB LEU 37 HB2 LEU 37 -3.021 -6.521 1.820 302 2HB LEU 37 HB1 LEU 37 -2.244 -6.948 3.340 303 HG LEU 37 HG LEU 37 -3.399 -4.196 2.848 304 1HD1 LEU 37 HD11 LEU 37 -4.754 -6.636 4.044 305 2HD1 LEU 37 HD12 LEU 37 -5.237 -5.786 2.577 306 3HD1 LEU 37 HD13 LEU 37 -5.383 -4.992 4.143 307 1HD2 LEU 37 HD21 LEU 37 -3.203 -5.578 5.494 308 2HD2 LEU 37 HD22 LEU 37 -3.038 -3.864 5.113 309 3HD2 LEU 37 HD23 LEU 37 -1.718 -4.977 4.761 310 H SER 38 HN SER 38 -1.204 -6.754 0.004 311 HA SER 38 HA SER 38 0.596 -8.897 0.593 312 1HB SER 38 HB2 SER 38 -0.226 -7.520 -1.983 313 2HB SER 38 HB1 SER 38 0.692 -9.022 -1.939 314 HG SER 38 HG SER 38 -1.121 -10.009 -1.598 315 H LEU 39 HN LEU 39 1.118 -5.664 -0.786 316 HA LEU 39 HA LEU 39 3.862 -5.929 -1.509 317 1HB LEU 39 HB2 LEU 39 2.286 -3.535 -0.507 318 2HB LEU 39 HB1 LEU 39 3.821 -3.446 -1.372 319 HG LEU 39 HG LEU 39 1.271 -4.682 -2.464 320 1HD1 LEU 39 HD11 LEU 39 1.740 -2.027 -2.178 321 2HD1 LEU 39 HD12 LEU 39 0.801 -2.713 -3.502 322 3HD1 LEU 39 HD13 LEU 39 2.502 -2.313 -3.743 323 1HD2 LEU 39 HD21 LEU 39 4.079 -4.379 -3.522 324 2HD2 LEU 39 HD22 LEU 39 2.710 -4.467 -4.630 325 3HD2 LEU 39 HD23 LEU 39 3.046 -5.807 -3.535 326 H LYS 40 HN LYS 40 2.516 -4.513 1.539 327 HA LYS 40 HA LYS 40 5.099 -4.334 2.818 328 1HB LYS 40 HB2 LYS 40 3.814 -3.716 4.741 329 2HB LYS 40 HB1 LYS 40 2.932 -3.120 3.349 330 1HG LYS 40 HG2 LYS 40 1.365 -4.960 3.461 331 2HG LYS 40 HG1 LYS 40 2.301 -5.732 4.743 332 1HD LYS 40 HD2 LYS 40 1.954 -3.493 6.025 333 2HD LYS 40 HD1 LYS 40 0.653 -3.214 4.869 334 1HE LYS 40 HE2 LYS 40 -0.494 -4.321 6.590 335 2HE LYS 40 HE1 LYS 40 -0.042 -5.690 5.555 336 1HZ LYS 40 HZ1 LYS 40 1.518 -4.653 7.863 337 2HZ LYS 40 HZ2 LYS 40 2.014 -5.911 6.833 338 3HZ LYS 40 HZ3 LYS 40 0.649 -6.109 7.825 339 H ALA 41 HN ALA 41 2.701 -6.856 2.518 340 HA ALA 41 HA ALA 41 3.533 -8.616 4.600 341 1HB ALA 41 HB1 ALA 41 2.626 -10.337 2.798 342 2HB ALA 41 HB2 ALA 41 2.167 -8.869 1.938 343 3HB ALA 41 HB3 ALA 41 1.526 -9.181 3.548 344 H GLU 42 HN GLU 42 4.704 -8.281 1.215 345 HA GLU 42 HA GLU 42 6.589 -10.466 1.318 346 1HB GLU 42 HB2 GLU 42 6.441 -7.861 -0.240 347 2HB GLU 42 HB1 GLU 42 7.629 -9.122 -0.580 348 1HG GLU 42 HG2 GLU 42 5.807 -10.741 -0.968 349 2HG GLU 42 HG1 GLU 42 4.618 -9.485 -0.630 350 H TYR 43 HN TYR 43 6.847 -6.987 1.976 351 HA TYR 43 HA TYR 43 9.611 -6.864 2.693 352 1HB TYR 43 HB2 TYR 43 7.124 -5.287 2.997 353 2HB TYR 43 HB1 TYR 43 8.357 -4.943 4.210 354 HD1 TYR 43 HD1 TYR 43 7.199 -4.017 1.052 355 HD2 TYR 43 HD2 TYR 43 10.851 -4.854 3.151 356 HE1 TYR 43 HE1 TYR 43 8.463 -2.681 -0.613 357 HE2 TYR 43 HE2 TYR 43 12.114 -3.519 1.489 358 HH TYR 43 HH TYR 43 11.569 -2.878 -1.145 359 H LYS 44 HN LYS 44 6.691 -7.497 4.607 360 HA LYS 44 HA LYS 44 7.838 -7.585 7.205 361 1HB LYS 44 HB2 LYS 44 5.411 -7.535 6.582 362 2HB LYS 44 HB1 LYS 44 5.542 -9.223 6.085 363 1HG LYS 44 HG2 LYS 44 6.265 -9.837 8.366 364 2HG LYS 44 HG1 LYS 44 6.120 -8.151 8.862 365 1HD LYS 44 HD2 LYS 44 3.714 -8.192 8.314 366 2HD LYS 44 HD1 LYS 44 3.857 -9.880 7.821 367 1HE LYS 44 HE2 LYS 44 4.339 -10.603 10.042 368 2HE LYS 44 HE1 LYS 44 4.655 -8.945 10.591 369 1HZ LYS 44 HZ1 LYS 44 2.065 -10.114 9.740 370 2HZ LYS 44 HZ2 LYS 44 2.310 -8.438 9.880 371 3HZ LYS 44 HZ3 LYS 44 2.454 -9.438 11.246 372 H GLU 45 HN GLU 45 7.495 -10.168 4.764 373 HA GLU 45 HA GLU 45 8.238 -12.403 6.315 374 1HB GLU 45 HB2 GLU 45 8.701 -11.654 3.417 375 2HB GLU 45 HB1 GLU 45 9.041 -13.264 4.049 376 1HG GLU 45 HG2 GLU 45 6.701 -13.477 4.793 377 2HG GLU 45 HG1 GLU 45 6.353 -11.866 4.176 378 H LYS 46 HN LYS 46 10.381 -10.049 4.653 379 HA LYS 46 HA LYS 46 12.832 -11.438 5.181 380 1HB LYS 46 HB2 LYS 46 12.117 -8.536 4.703 381 2HB LYS 46 HB1 LYS 46 13.785 -9.096 4.826 382 1HG LYS 46 HG2 LYS 46 13.292 -10.750 2.994 383 2HG LYS 46 HG1 LYS 46 11.712 -9.990 2.803 384 1HD LYS 46 HD2 LYS 46 14.247 -8.359 2.701 385 2HD LYS 46 HD1 LYS 46 13.629 -9.173 1.263 386 1HE LYS 46 HE2 LYS 46 11.608 -7.909 1.284 387 2HE LYS 46 HE1 LYS 46 11.892 -7.344 2.943 388 1HZ LYS 46 HZ1 LYS 46 13.547 -6.720 0.554 389 2HZ LYS 46 HZ2 LYS 46 13.952 -6.286 2.146 390 3HZ LYS 46 HZ3 LYS 46 12.567 -5.633 1.410 391 H THR 47 HN THR 47 12.327 -8.258 6.733 392 HA THR 47 HA THR 47 12.418 -9.424 9.433 393 HB THR 47 HB THR 47 14.736 -9.633 8.662 394 HG1 THR 47 HG1 THR 47 15.650 -8.572 10.373 395 1HG2 THR 47 HG21 THR 47 16.011 -7.485 8.216 396 2HG2 THR 47 HG22 THR 47 14.451 -6.675 8.106 397 3HG2 THR 47 HG23 THR 47 14.864 -7.949 6.959 398 H GLY 48 HN GLY 48 10.446 -7.738 8.491 399 1HA GLY 48 HA2 GLY 48 9.296 -5.803 9.189 400 2HA GLY 48 HA1 GLY 48 10.599 -5.521 10.341 401 H GLN 49 HN GLN 49 10.835 -5.751 6.806 402 HA GLN 49 HA GLN 49 12.234 -3.131 6.766 403 1HB GLN 49 HB2 GLN 49 11.818 -5.415 4.852 404 2HB GLN 49 HB1 GLN 49 12.701 -3.953 4.406 405 1HG GLN 49 HG2 GLN 49 14.303 -4.313 6.205 406 2HG GLN 49 HG1 GLN 49 13.383 -5.699 6.785 407 1HE2 GLN 49 HE21 GLN 49 16.155 -5.869 5.943 408 2HE2 GLN 49 HE22 GLN 49 16.212 -6.866 4.571 409 H GLU 50 HN GLU 50 9.188 -3.554 6.967 410 HA GLU 50 HA GLU 50 7.891 -2.817 4.540 411 1HB GLU 50 HB2 GLU 50 6.080 -2.090 6.080 412 2HB GLU 50 HB1 GLU 50 6.764 -3.638 6.571 413 1HG GLU 50 HG2 GLU 50 8.069 -2.599 8.311 414 2HG GLU 50 HG1 GLU 50 7.664 -0.985 7.726 415 H TYR 51 HN TYR 51 7.529 -0.846 3.572 416 HA TYR 51 HA TYR 51 9.347 1.290 3.824 417 1HB TYR 51 HB2 TYR 51 7.761 2.464 2.344 418 2HB TYR 51 HB1 TYR 51 7.929 0.778 1.861 419 HD1 TYR 51 HD1 TYR 51 5.704 3.282 3.384 420 HD2 TYR 51 HD2 TYR 51 6.099 -0.826 2.211 421 HE1 TYR 51 HE1 TYR 51 3.259 2.976 3.647 422 HE2 TYR 51 HE2 TYR 51 3.655 -1.135 2.472 423 HH TYR 51 HH TYR 51 1.759 0.534 4.145 424 H LYS 52 HN LYS 52 9.213 3.358 4.762 425 HA LYS 52 HA LYS 52 7.921 3.557 7.332 426 1HB LYS 52 HB2 LYS 52 9.416 5.414 5.481 427 2HB LYS 52 HB1 LYS 52 8.744 6.002 7.003 428 1HG LYS 52 HG2 LYS 52 9.946 3.882 8.009 429 2HG LYS 52 HG1 LYS 52 10.929 3.995 6.549 430 1HD LYS 52 HD2 LYS 52 11.862 6.019 7.167 431 2HD LYS 52 HD1 LYS 52 10.457 6.495 8.122 432 1HE LYS 52 HE2 LYS 52 12.075 4.125 9.021 433 2HE LYS 52 HE1 LYS 52 12.669 5.762 9.363 434 1HZ LYS 52 HZ1 LYS 52 9.919 4.800 9.951 435 2HZ LYS 52 HZ2 LYS 52 10.557 6.327 10.335 436 3HZ LYS 52 HZ3 LYS 52 11.156 4.935 11.103 437 HA PRO 53 HA PRO 53 3.979 5.167 6.292 438 1HB PRO 53 HB2 PRO 53 3.549 7.039 8.237 439 2HB PRO 53 HB1 PRO 53 3.483 5.289 8.528 440 1HG PRO 53 HG2 PRO 53 5.706 7.208 9.060 441 2HG PRO 53 HG1 PRO 53 5.091 5.892 10.074 442 1HD PRO 53 HD2 PRO 53 7.331 5.636 8.598 443 2HD PRO 53 HD1 PRO 53 6.229 4.269 8.894 444 H GLY 54 HN GLY 54 6.691 7.367 6.394 445 1HA GLY 54 HA2 GLY 54 5.157 9.633 5.292 446 2HA GLY 54 HA1 GLY 54 6.888 9.589 5.572 447 H ASN 55 HN ASN 55 5.789 6.849 3.791 448 HA ASN 55 HA ASN 55 6.148 6.236 1.531 449 1HB ASN 55 HB2 ASN 55 4.859 8.871 1.674 450 2HB ASN 55 HB1 ASN 55 5.737 8.647 0.166 451 1HD2 ASN 55 HD21 ASN 55 2.825 8.736 0.380 452 2HD2 ASN 55 HD22 ASN 55 2.235 7.213 -0.100 453 HA PRO 56 HA PRO 56 10.220 7.378 0.288 454 1HB PRO 56 HB2 PRO 56 10.141 7.887 -2.410 455 2HB PRO 56 HB1 PRO 56 10.052 6.255 -1.720 456 1HG PRO 56 HG2 PRO 56 7.872 7.997 -2.748 457 2HG PRO 56 HG1 PRO 56 8.081 6.244 -2.890 458 1HD PRO 56 HD2 PRO 56 6.374 7.403 -1.125 459 2HD PRO 56 HD1 PRO 56 7.152 5.834 -0.837 460 HA PRO 57 HA PRO 57 10.400 11.776 0.450 461 1HB PRO 57 HB2 PRO 57 13.057 12.201 -0.044 462 2HB PRO 57 HB1 PRO 57 12.444 11.571 1.498 463 1HG PRO 57 HG2 PRO 57 13.706 10.123 -0.768 464 2HG PRO 57 HG1 PRO 57 13.857 9.850 0.974 465 1HD PRO 57 HD2 PRO 57 12.285 8.335 -0.681 466 2HD PRO 57 HD1 PRO 57 11.994 8.542 1.061 Start of MODEL 11 1 2H ASP 1 HN2 ASP 1 18.535 -1.306 -6.917 2 H ASP 1 H ASP 1 17.597 -2.360 -5.970 3 HA ASP 1 HA ASP 1 18.216 -0.248 -4.814 4 1HB ASP 1 HB2 ASP 1 18.043 0.986 -7.020 5 2HB ASP 1 HB1 ASP 1 16.290 0.873 -6.872 6 H SER 2 HN SER 2 17.016 -0.289 -2.956 7 HA SER 2 HA SER 2 14.504 -1.714 -2.785 8 1HB SER 2 HB2 SER 2 16.019 0.099 -0.887 9 2HB SER 2 HB1 SER 2 14.626 -0.869 -0.415 10 HG SER 2 HG SER 2 15.902 -2.524 -0.306 11 H LEU 3 HN LEU 3 15.232 1.544 -3.636 12 HA LEU 3 HA LEU 3 13.038 2.981 -2.534 13 1HB LEU 3 HB2 LEU 3 15.148 3.733 -3.829 14 2HB LEU 3 HB1 LEU 3 14.199 3.434 -5.281 15 HG LEU 3 HG LEU 3 12.379 4.885 -4.076 16 1HD1 LEU 3 HD11 LEU 3 14.913 5.480 -2.559 17 2HD1 LEU 3 HD12 LEU 3 13.284 5.224 -1.932 18 3HD1 LEU 3 HD13 LEU 3 13.682 6.726 -2.767 19 1HD2 LEU 3 HD21 LEU 3 14.902 5.841 -5.424 20 2HD2 LEU 3 HD22 LEU 3 13.655 6.986 -4.930 21 3HD2 LEU 3 HD23 LEU 3 13.275 5.716 -6.092 22 H VAL 4 HN VAL 4 13.290 1.084 -5.544 23 HA VAL 4 HA VAL 4 10.824 1.774 -6.743 24 HB VAL 4 HB VAL 4 12.718 0.387 -7.664 25 1HG1 VAL 4 HG11 VAL 4 12.897 -1.154 -5.696 26 2HG1 VAL 4 HG12 VAL 4 12.801 -1.992 -7.244 27 3HG1 VAL 4 HG13 VAL 4 11.381 -1.898 -6.202 28 1HG2 VAL 4 HG21 VAL 4 11.010 -1.352 -8.721 29 2HG2 VAL 4 HG22 VAL 4 10.909 0.367 -9.105 30 3HG2 VAL 4 HG23 VAL 4 9.829 -0.332 -7.899 31 H LEU 5 HN LEU 5 11.488 -0.746 -4.318 32 HA LEU 5 HA LEU 5 8.852 -1.847 -4.140 33 1HB LEU 5 HB2 LEU 5 11.144 -1.550 -2.176 34 2HB LEU 5 HB1 LEU 5 9.706 -2.512 -1.831 35 HG LEU 5 HG LEU 5 11.399 -2.926 -4.307 36 1HD1 LEU 5 HD11 LEU 5 12.901 -3.465 -2.566 37 2HD1 LEU 5 HD12 LEU 5 12.147 -5.011 -2.958 38 3HD1 LEU 5 HD13 LEU 5 11.618 -4.106 -1.539 39 1HD2 LEU 5 HD21 LEU 5 9.373 -3.987 -4.715 40 2HD2 LEU 5 HD22 LEU 5 9.059 -4.267 -3.002 41 3HD2 LEU 5 HD23 LEU 5 10.223 -5.275 -3.862 42 H TYR 6 HN TYR 6 10.395 0.893 -2.495 43 HA TYR 6 HA TYR 6 8.367 1.576 -0.621 44 1HB TYR 6 HB2 TYR 6 10.800 2.500 -1.244 45 2HB TYR 6 HB1 TYR 6 9.864 3.675 -2.163 46 HD1 TYR 6 HD1 TYR 6 7.484 4.095 -0.487 47 HD2 TYR 6 HD2 TYR 6 11.599 3.615 0.651 48 HE1 TYR 6 HE1 TYR 6 7.061 5.377 1.585 49 HE2 TYR 6 HE2 TYR 6 11.173 4.903 2.726 50 HH TYR 6 HH TYR 6 9.341 6.774 3.379 51 H ASN 7 HN ASN 7 8.826 2.674 -3.988 52 HA ASN 7 HA ASN 7 6.513 4.347 -4.157 53 1HB ASN 7 HB2 ASN 7 8.182 2.800 -6.152 54 2HB ASN 7 HB1 ASN 7 6.885 3.889 -6.655 55 1HD2 ASN 7 HD21 ASN 7 10.081 3.977 -6.602 56 2HD2 ASN 7 HD22 ASN 7 10.377 5.559 -6.062 57 H ARG 8 HN ARG 8 6.957 0.876 -4.870 58 HA ARG 8 HA ARG 8 4.411 0.350 -6.034 59 1HB ARG 8 HB2 ARG 8 6.429 -1.137 -5.967 60 2HB ARG 8 HB1 ARG 8 6.100 -1.443 -4.261 61 1HG ARG 8 HG2 ARG 8 4.942 -3.223 -5.135 62 2HG ARG 8 HG1 ARG 8 3.667 -2.011 -5.267 63 1HD ARG 8 HD2 ARG 8 3.694 -2.861 -7.449 64 2HD ARG 8 HD1 ARG 8 4.851 -1.524 -7.611 65 HE ARG 8 HE ARG 8 5.536 -4.388 -7.502 66 1HH1 ARG 8 HH21 ARG 8 6.724 -2.328 -9.383 67 2HH1 ARG 8 HH22 ARG 8 8.308 -2.124 -8.714 68 1HH2 ARG 8 HH11 ARG 8 7.506 -3.608 -5.683 69 2HH2 ARG 8 HH12 ARG 8 8.751 -2.849 -6.617 70 H VAL 9 HN VAL 9 5.422 0.016 -2.602 71 HA VAL 9 HA VAL 9 2.783 -0.681 -1.664 72 HB VAL 9 HB VAL 9 3.802 -0.271 0.557 73 1HG1 VAL 9 HG11 VAL 9 4.441 -2.380 -0.067 74 2HG1 VAL 9 HG12 VAL 9 6.037 -1.632 -0.024 75 3HG1 VAL 9 HG13 VAL 9 5.194 -1.824 -1.561 76 1HG2 VAL 9 HG21 VAL 9 6.160 0.811 -1.004 77 2HG2 VAL 9 HG22 VAL 9 6.114 0.541 0.731 78 3HG2 VAL 9 HG23 VAL 9 5.083 1.772 0.008 79 H ALA 10 HN ALA 10 4.607 2.347 -1.891 80 HA ALA 10 HA ALA 10 2.849 4.098 -0.515 81 1HB ALA 10 HB1 ALA 10 5.019 4.261 -2.524 82 2HB ALA 10 HB2 ALA 10 4.850 5.091 -0.977 83 3HB ALA 10 HB3 ALA 10 3.983 5.681 -2.395 84 H VAL 11 HN VAL 11 2.957 3.450 -4.064 85 HA VAL 11 HA VAL 11 0.865 5.236 -4.752 86 HB VAL 11 HB VAL 11 0.758 3.890 -6.831 87 1HG1 VAL 11 HG11 VAL 11 2.525 5.356 -7.006 88 2HG1 VAL 11 HG12 VAL 11 3.415 3.835 -7.093 89 3HG1 VAL 11 HG13 VAL 11 3.328 4.720 -5.570 90 1HG2 VAL 11 HG21 VAL 11 2.253 1.907 -7.027 91 2HG2 VAL 11 HG22 VAL 11 0.927 1.639 -5.901 92 3HG2 VAL 11 HG23 VAL 11 2.542 1.994 -5.296 93 H GLN 12 HN GLN 12 0.629 1.728 -3.953 94 HA GLN 12 HA GLN 12 -2.204 1.536 -4.354 95 1HB GLN 12 HB2 GLN 12 -0.216 0.079 -2.596 96 2HB GLN 12 HB1 GLN 12 -1.906 -0.416 -2.720 97 1HG GLN 12 HG2 GLN 12 -0.043 -0.099 -5.094 98 2HG GLN 12 HG1 GLN 12 -0.408 -1.640 -4.316 99 1HE2 GLN 12 HE21 GLN 12 -3.143 -1.491 -3.860 100 2HE2 GLN 12 HE22 GLN 12 -3.977 -1.309 -5.327 101 H GLY 13 HN GLY 13 -0.334 2.139 -1.372 102 1HA GLY 13 HA2 GLY 13 -2.170 2.391 0.621 103 2HA GLY 13 HA1 GLY 13 -0.856 3.570 0.451 104 H ASP 14 HN ASP 14 -1.361 5.180 -1.452 105 HA ASP 14 HA ASP 14 -3.496 6.879 -0.586 106 1HB ASP 14 HB2 ASP 14 -1.726 6.718 -3.032 107 2HB ASP 14 HB1 ASP 14 -2.903 8.016 -2.828 108 H VAL 15 HN VAL 15 -3.295 4.511 -3.250 109 HA VAL 15 HA VAL 15 -5.687 5.229 -4.627 110 HB VAL 15 HB VAL 15 -4.356 2.528 -4.198 111 1HG1 VAL 15 HG11 VAL 15 -6.652 2.305 -5.079 112 2HG1 VAL 15 HG12 VAL 15 -5.459 1.881 -6.306 113 3HG1 VAL 15 HG13 VAL 15 -6.267 3.446 -6.366 114 1HG2 VAL 15 HG21 VAL 15 -2.868 3.090 -5.846 115 2HG2 VAL 15 HG22 VAL 15 -3.231 4.731 -5.311 116 3HG2 VAL 15 HG23 VAL 15 -4.050 4.062 -6.722 117 H VAL 16 HN VAL 16 -5.168 3.054 -1.838 118 HA VAL 16 HA VAL 16 -7.840 2.058 -1.603 119 HB VAL 16 HB VAL 16 -5.623 2.617 0.402 120 1HG1 VAL 16 HG11 VAL 16 -7.870 2.471 1.511 121 2HG1 VAL 16 HG12 VAL 16 -6.781 1.161 1.968 122 3HG1 VAL 16 HG13 VAL 16 -8.071 0.869 0.801 123 1HG2 VAL 16 HG21 VAL 16 -6.429 -0.132 -0.389 124 2HG2 VAL 16 HG22 VAL 16 -4.821 0.534 -0.108 125 3HG2 VAL 16 HG23 VAL 16 -5.644 0.836 -1.637 126 H ARG 17 HN ARG 17 -6.265 4.856 -0.014 127 HA ARG 17 HA ARG 17 -8.560 5.836 1.385 128 1HB ARG 17 HB2 ARG 17 -6.154 6.435 1.755 129 2HB ARG 17 HB1 ARG 17 -6.193 7.361 0.256 130 1HG ARG 17 HG2 ARG 17 -7.996 8.778 1.163 131 2HG ARG 17 HG1 ARG 17 -7.965 7.856 2.667 132 1HD ARG 17 HD2 ARG 17 -5.603 8.530 3.029 133 2HD ARG 17 HD1 ARG 17 -5.662 9.488 1.537 134 HE ARG 17 HE ARG 17 -7.814 10.487 2.821 135 1HH1 ARG 17 HH11 ARG 17 -4.720 11.333 2.994 136 2HH1 ARG 17 HH12 ARG 17 -4.682 11.803 4.661 137 1HH2 ARG 17 HH21 ARG 17 -7.756 10.384 5.406 138 2HH2 ARG 17 HH22 ARG 17 -6.401 11.267 6.025 139 H GLU 18 HN GLU 18 -7.268 6.671 -1.838 140 HA GLU 18 HA GLU 18 -9.044 8.801 -2.473 141 1HB GLU 18 HB2 GLU 18 -6.964 8.057 -3.676 142 2HB GLU 18 HB1 GLU 18 -7.879 6.702 -4.325 143 1HG GLU 18 HG2 GLU 18 -9.385 8.164 -5.491 144 2HG GLU 18 HG1 GLU 18 -8.730 9.585 -4.683 145 H LEU 19 HN LEU 19 -9.345 5.318 -3.090 146 HA LEU 19 HA LEU 19 -11.797 5.347 -4.527 147 1HB LEU 19 HB2 LEU 19 -10.479 3.369 -2.689 148 2HB LEU 19 HB1 LEU 19 -11.899 2.961 -3.646 149 HG LEU 19 HG LEU 19 -9.329 4.073 -4.806 150 1HD1 LEU 19 HD11 LEU 19 -10.249 1.234 -5.145 151 2HD1 LEU 19 HD12 LEU 19 -9.328 1.686 -3.710 152 3HD1 LEU 19 HD13 LEU 19 -8.628 1.905 -5.314 153 1HD2 LEU 19 HD21 LEU 19 -11.996 3.286 -5.866 154 2HD2 LEU 19 HD22 LEU 19 -10.597 2.811 -6.829 155 3HD2 LEU 19 HD23 LEU 19 -10.870 4.511 -6.449 156 H LYS 20 HN LYS 20 -11.201 5.196 -1.040 157 HA LYS 20 HA LYS 20 -13.913 4.809 -0.221 158 1HB LYS 20 HB2 LYS 20 -11.675 4.515 1.048 159 2HB LYS 20 HB1 LYS 20 -11.766 6.252 1.338 160 1HG LYS 20 HG2 LYS 20 -12.763 5.081 3.228 161 2HG LYS 20 HG1 LYS 20 -14.033 5.922 2.338 162 1HD LYS 20 HD2 LYS 20 -14.862 3.941 1.388 163 2HD LYS 20 HD1 LYS 20 -13.356 3.066 1.665 164 1HE LYS 20 HE2 LYS 20 -13.922 2.523 3.819 165 2HE LYS 20 HE1 LYS 20 -14.700 4.091 4.111 166 1HZ LYS 20 HZ1 LYS 20 -15.780 1.800 2.565 167 2HZ LYS 20 HZ2 LYS 20 -16.459 3.357 2.512 168 3HZ LYS 20 HZ3 LYS 20 -16.427 2.490 3.973 169 H ALA 21 HN ALA 21 -11.910 7.679 -0.739 170 HA ALA 21 HA ALA 21 -13.759 9.663 0.175 171 1HB ALA 21 HB1 ALA 21 -11.744 9.808 -2.095 172 2HB ALA 21 HB2 ALA 21 -11.324 9.957 -0.389 173 3HB ALA 21 HB3 ALA 21 -12.357 11.166 -1.152 174 H LYS 22 HN LYS 22 -13.560 7.739 -2.757 175 HA LYS 22 HA LYS 22 -15.560 9.380 -4.190 176 1HB LYS 22 HB2 LYS 22 -14.142 6.760 -4.769 177 2HB LYS 22 HB1 LYS 22 -15.231 7.561 -5.904 178 1HG LYS 22 HG2 LYS 22 -13.803 9.572 -5.863 179 2HG LYS 22 HG1 LYS 22 -12.710 8.775 -4.733 180 1HD LYS 22 HD2 LYS 22 -12.252 7.021 -6.412 181 2HD LYS 22 HD1 LYS 22 -13.342 7.824 -7.543 182 1HE LYS 22 HE2 LYS 22 -11.923 9.798 -7.613 183 2HE LYS 22 HE1 LYS 22 -10.882 9.138 -6.339 184 1HZ LYS 22 HZ1 LYS 22 -11.402 7.816 -8.948 185 2HZ LYS 22 HZ2 LYS 22 -10.344 7.272 -7.735 186 3HZ LYS 22 HZ3 LYS 22 -10.004 8.703 -8.585 187 H LYS 23 HN LYS 23 -15.925 7.438 -1.595 188 HA LYS 23 HA LYS 23 -17.706 6.207 -0.697 189 1HB LYS 23 HB2 LYS 23 -19.038 7.576 -3.034 190 2HB LYS 23 HB1 LYS 23 -19.926 6.684 -1.806 191 1HG LYS 23 HG2 LYS 23 -18.997 8.158 -0.058 192 2HG LYS 23 HG1 LYS 23 -18.118 9.064 -1.290 193 1HD LYS 23 HD2 LYS 23 -20.251 9.667 -2.374 194 2HD LYS 23 HD1 LYS 23 -21.132 8.766 -1.140 195 1HE LYS 23 HE2 LYS 23 -20.567 10.304 0.563 196 2HE LYS 23 HE1 LYS 23 -19.217 10.977 -0.373 197 1HZ LYS 23 HZ1 LYS 23 -22.093 11.148 -1.105 198 2HZ LYS 23 HZ2 LYS 23 -20.804 11.757 -2.028 199 3HZ LYS 23 HZ3 LYS 23 -21.152 12.424 -0.504 200 H ALA 24 HN ALA 24 -16.018 5.159 -3.069 201 HA ALA 24 HA ALA 24 -17.560 3.402 -4.693 202 1HB ALA 24 HB1 ALA 24 -14.746 3.606 -3.696 203 2HB ALA 24 HB2 ALA 24 -15.346 3.597 -5.355 204 3HB ALA 24 HB3 ALA 24 -15.231 2.088 -4.450 205 HA PRO 25 HA PRO 25 -18.746 0.187 -1.919 206 1HB PRO 25 HB2 PRO 25 -18.292 -2.115 -3.318 207 2HB PRO 25 HB1 PRO 25 -19.607 -0.993 -3.722 208 1HG PRO 25 HG2 PRO 25 -16.946 -1.341 -5.014 209 2HG PRO 25 HG1 PRO 25 -18.527 -1.013 -5.746 210 1HD PRO 25 HD2 PRO 25 -16.622 0.910 -5.352 211 2HD PRO 25 HD1 PRO 25 -18.367 1.248 -5.413 212 H LYS 26 HN LYS 26 -17.907 -1.673 -0.620 213 HA LYS 26 HA LYS 26 -15.267 -1.356 0.366 214 1HB LYS 26 HB2 LYS 26 -17.167 -3.723 0.312 215 2HB LYS 26 HB1 LYS 26 -15.717 -3.658 1.318 216 1HG LYS 26 HG2 LYS 26 -16.563 -1.613 2.409 217 2HG LYS 26 HG1 LYS 26 -18.014 -1.679 1.409 218 1HD LYS 26 HD2 LYS 26 -18.573 -3.888 2.376 219 2HD LYS 26 HD1 LYS 26 -17.133 -3.799 3.391 220 1HE LYS 26 HE2 LYS 26 -18.592 -2.874 4.911 221 2HE LYS 26 HE1 LYS 26 -18.320 -1.395 3.967 222 1HZ LYS 26 HZ1 LYS 26 -20.677 -1.857 4.084 223 2HZ LYS 26 HZ2 LYS 26 -20.436 -3.425 3.476 224 3HZ LYS 26 HZ3 LYS 26 -20.136 -2.073 2.491 225 H GLU 27 HN GLU 27 -16.454 -3.053 -2.434 226 HA GLU 27 HA GLU 27 -14.445 -4.965 -2.963 227 1HB GLU 27 HB2 GLU 27 -16.597 -4.653 -4.156 228 2HB GLU 27 HB1 GLU 27 -16.007 -3.130 -4.817 229 1HG GLU 27 HG2 GLU 27 -14.213 -4.318 -6.000 230 2HG GLU 27 HG1 GLU 27 -14.763 -5.836 -5.308 231 H ASP 28 HN ASP 28 -14.537 -1.480 -3.726 232 HA ASP 28 HA ASP 28 -12.018 -1.451 -5.172 233 1HB ASP 28 HB2 ASP 28 -13.875 0.584 -3.937 234 2HB ASP 28 HB1 ASP 28 -12.365 1.083 -4.699 235 H VAL 29 HN VAL 29 -12.963 -0.604 -1.836 236 HA VAL 29 HA VAL 29 -10.346 0.310 -1.027 237 HB VAL 29 HB VAL 29 -12.718 -0.749 0.549 238 1HG1 VAL 29 HG11 VAL 29 -10.293 0.873 1.363 239 2HG1 VAL 29 HG12 VAL 29 -10.773 -0.710 1.977 240 3HG1 VAL 29 HG13 VAL 29 -11.738 0.716 2.362 241 1HG2 VAL 29 HG21 VAL 29 -12.140 2.153 0.397 242 2HG2 VAL 29 HG22 VAL 29 -13.686 1.309 0.327 243 3HG2 VAL 29 HG23 VAL 29 -12.677 1.421 -1.114 244 H ASP 30 HN ASP 30 -12.083 -2.747 -0.289 245 HA ASP 30 HA ASP 30 -9.956 -4.024 1.091 246 1HB ASP 30 HB2 ASP 30 -12.301 -5.045 -0.521 247 2HB ASP 30 HB1 ASP 30 -11.272 -6.104 0.443 248 H ALA 31 HN ALA 31 -10.740 -4.101 -2.400 249 HA ALA 31 HA ALA 31 -8.851 -6.088 -3.168 250 1HB ALA 31 HB1 ALA 31 -9.025 -4.727 -5.396 251 2HB ALA 31 HB2 ALA 31 -10.196 -3.750 -4.509 252 3HB ALA 31 HB3 ALA 31 -10.485 -5.474 -4.746 253 H ALA 32 HN ALA 32 -8.507 -2.529 -3.172 254 HA ALA 32 HA ALA 32 -5.752 -2.538 -4.022 255 1HB ALA 32 HB1 ALA 32 -5.865 -0.185 -3.457 256 2HB ALA 32 HB2 ALA 32 -7.211 -0.463 -2.351 257 3HB ALA 32 HB3 ALA 32 -7.447 -0.645 -4.089 258 H VAL 33 HN VAL 33 -7.264 -2.436 -0.773 259 HA VAL 33 HA VAL 33 -4.755 -2.202 0.644 260 HB VAL 33 HB VAL 33 -7.385 -1.913 1.261 261 1HG1 VAL 33 HG11 VAL 33 -8.014 -4.234 1.388 262 2HG1 VAL 33 HG12 VAL 33 -7.925 -3.621 3.035 263 3HG1 VAL 33 HG13 VAL 33 -6.617 -4.615 2.397 264 1HG2 VAL 33 HG21 VAL 33 -5.723 -0.890 2.582 265 2HG2 VAL 33 HG22 VAL 33 -5.002 -2.437 3.027 266 3HG2 VAL 33 HG23 VAL 33 -6.562 -1.965 3.701 267 H LYS 34 HN LYS 34 -6.731 -4.961 -0.475 268 HA LYS 34 HA LYS 34 -5.193 -7.067 0.735 269 1HB LYS 34 HB2 LYS 34 -7.434 -7.256 -0.419 270 2HB LYS 34 HB1 LYS 34 -6.602 -7.030 -1.960 271 1HG LYS 34 HG2 LYS 34 -5.213 -9.021 -1.507 272 2HG LYS 34 HG1 LYS 34 -6.044 -9.250 0.030 273 1HD LYS 34 HD2 LYS 34 -8.177 -9.572 -1.145 274 2HD LYS 34 HD1 LYS 34 -7.376 -9.297 -2.694 275 1HE LYS 34 HE2 LYS 34 -6.202 -11.402 -0.924 276 2HE LYS 34 HE1 LYS 34 -7.733 -11.781 -1.741 277 1HZ LYS 34 HZ1 LYS 34 -5.434 -10.545 -3.151 278 2HZ LYS 34 HZ2 LYS 34 -6.815 -11.264 -3.831 279 3HZ LYS 34 HZ3 LYS 34 -5.643 -12.226 -3.064 280 H GLN 35 HN GLN 35 -4.944 -5.345 -2.353 281 HA GLN 35 HA GLN 35 -2.634 -6.729 -3.385 282 1HB GLN 35 HB2 GLN 35 -4.422 -5.089 -4.451 283 2HB GLN 35 HB1 GLN 35 -3.304 -3.836 -3.920 284 1HG GLN 35 HG2 GLN 35 -1.506 -4.757 -5.229 285 2HG GLN 35 HG1 GLN 35 -2.451 -6.197 -5.612 286 1HE2 GLN 35 HE21 GLN 35 -2.757 -5.957 -7.868 287 2HE2 GLN 35 HE22 GLN 35 -3.489 -4.602 -8.582 288 H LEU 36 HN LEU 36 -3.074 -3.696 -1.591 289 HA LEU 36 HA LEU 36 -0.342 -2.903 -1.388 290 1HB LEU 36 HB2 LEU 36 -1.969 -1.296 -0.889 291 2HB LEU 36 HB1 LEU 36 -2.913 -2.410 0.087 292 HG LEU 36 HG LEU 36 -1.226 -2.307 1.866 293 1HD1 LEU 36 HD11 LEU 36 0.546 -1.583 -0.069 294 2HD1 LEU 36 HD12 LEU 36 0.822 -1.303 1.649 295 3HD1 LEU 36 HD13 LEU 36 0.191 -0.005 0.635 296 1HD2 LEU 36 HD21 LEU 36 -2.054 -0.358 2.728 297 2HD2 LEU 36 HD22 LEU 36 -3.078 -0.415 1.293 298 3HD2 LEU 36 HD23 LEU 36 -1.621 0.580 1.298 299 H LEU 37 HN LEU 37 -2.322 -5.042 0.689 300 HA LEU 37 HA LEU 37 -0.436 -5.437 2.785 301 1HB LEU 37 HB2 LEU 37 -2.696 -6.967 1.583 302 2HB LEU 37 HB1 LEU 37 -1.704 -7.751 2.812 303 HG LEU 37 HG LEU 37 -2.624 -4.976 3.391 304 1HD1 LEU 37 HD11 LEU 37 -4.835 -5.667 4.062 305 2HD1 LEU 37 HD12 LEU 37 -4.479 -7.355 3.691 306 3HD1 LEU 37 HD13 LEU 37 -4.616 -6.174 2.389 307 1HD2 LEU 37 HD21 LEU 37 -1.217 -6.608 4.853 308 2HD2 LEU 37 HD22 LEU 37 -2.752 -7.424 5.151 309 3HD2 LEU 37 HD23 LEU 37 -2.544 -5.738 5.623 310 H SER 38 HN SER 38 -0.816 -7.064 -0.351 311 HA SER 38 HA SER 38 1.198 -9.079 -0.016 312 1HB SER 38 HB2 SER 38 -0.486 -9.020 -1.829 313 2HB SER 38 HB1 SER 38 0.261 -7.561 -2.477 314 HG SER 38 HG SER 38 0.912 -10.103 -2.918 315 H LEU 39 HN LEU 39 1.325 -5.731 -1.216 316 HA LEU 39 HA LEU 39 4.095 -5.673 -1.960 317 1HB LEU 39 HB2 LEU 39 2.277 -3.479 -0.895 318 2HB LEU 39 HB1 LEU 39 3.760 -3.229 -1.815 319 HG LEU 39 HG LEU 39 1.245 -4.595 -2.812 320 1HD1 LEU 39 HD11 LEU 39 1.520 -2.615 -4.495 321 2HD1 LEU 39 HD12 LEU 39 2.504 -1.903 -3.216 322 3HD1 LEU 39 HD13 LEU 39 0.816 -2.309 -2.907 323 1HD2 LEU 39 HD21 LEU 39 2.825 -5.716 -4.071 324 2HD2 LEU 39 HD22 LEU 39 4.036 -4.452 -3.862 325 3HD2 LEU 39 HD23 LEU 39 2.730 -4.239 -5.028 326 H LYS 40 HN LYS 40 2.435 -4.671 1.029 327 HA LYS 40 HA LYS 40 4.736 -3.982 2.588 328 1HB LYS 40 HB2 LYS 40 2.362 -3.468 3.126 329 2HB LYS 40 HB1 LYS 40 2.061 -5.182 3.378 330 1HG LYS 40 HG2 LYS 40 3.728 -5.202 5.208 331 2HG LYS 40 HG1 LYS 40 3.963 -3.467 4.986 332 1HD LYS 40 HD2 LYS 40 1.566 -3.084 5.458 333 2HD LYS 40 HD1 LYS 40 1.344 -4.816 5.701 334 1HE LYS 40 HE2 LYS 40 3.074 -4.709 7.539 335 2HE LYS 40 HE1 LYS 40 3.046 -2.942 7.374 336 1HZ LYS 40 HZ1 LYS 40 0.628 -3.012 7.661 337 2HZ LYS 40 HZ2 LYS 40 1.435 -3.629 9.022 338 3HZ LYS 40 HZ3 LYS 40 0.701 -4.687 7.914 339 H ALA 41 HN ALA 41 3.008 -7.043 2.097 340 HA ALA 41 HA ALA 41 4.387 -8.653 3.994 341 1HB ALA 41 HB1 ALA 41 2.996 -9.182 1.362 342 2HB ALA 41 HB2 ALA 41 2.371 -9.434 2.991 343 3HB ALA 41 HB3 ALA 41 3.632 -10.492 2.357 344 H GLU 42 HN GLU 42 5.129 -8.039 0.526 345 HA GLU 42 HA GLU 42 7.379 -9.788 0.322 346 1HB GLU 42 HB2 GLU 42 6.643 -7.165 -1.012 347 2HB GLU 42 HB1 GLU 42 7.996 -8.166 -1.541 348 1HG GLU 42 HG2 GLU 42 6.456 -10.059 -1.910 349 2HG GLU 42 HG1 GLU 42 5.102 -9.059 -1.385 350 H TYR 43 HN TYR 43 7.204 -6.328 1.158 351 HA TYR 43 HA TYR 43 9.986 -5.853 1.613 352 1HB TYR 43 HB2 TYR 43 7.545 -4.483 1.747 353 2HB TYR 43 HB1 TYR 43 8.139 -4.436 3.406 354 HD1 TYR 43 HD1 TYR 43 10.988 -4.211 3.233 355 HD2 TYR 43 HD2 TYR 43 8.007 -2.497 0.661 356 HE1 TYR 43 HE1 TYR 43 12.571 -2.412 2.594 357 HE2 TYR 43 HE2 TYR 43 9.586 -0.699 0.024 358 HH TYR 43 HH TYR 43 12.344 -0.601 0.007 359 H LYS 44 HN LYS 44 7.391 -6.913 3.759 360 HA LYS 44 HA LYS 44 8.782 -6.988 6.234 361 1HB LYS 44 HB2 LYS 44 6.329 -7.143 5.829 362 2HB LYS 44 HB1 LYS 44 6.560 -8.776 5.203 363 1HG LYS 44 HG2 LYS 44 7.548 -9.444 7.385 364 2HG LYS 44 HG1 LYS 44 7.221 -7.824 8.004 365 1HD LYS 44 HD2 LYS 44 4.807 -8.146 7.529 366 2HD LYS 44 HD1 LYS 44 5.151 -9.787 6.981 367 1HE LYS 44 HE2 LYS 44 4.438 -9.952 9.287 368 2HE LYS 44 HE1 LYS 44 6.194 -10.205 9.278 369 1HZ LYS 44 HZ1 LYS 44 5.258 -8.483 10.904 370 2HZ LYS 44 HZ2 LYS 44 5.041 -7.490 9.543 371 3HZ LYS 44 HZ3 LYS 44 6.595 -8.032 9.965 372 H GLU 45 HN GLU 45 8.470 -9.525 3.729 373 HA GLU 45 HA GLU 45 9.588 -11.688 5.181 374 1HB GLU 45 HB2 GLU 45 9.580 -10.944 2.247 375 2HB GLU 45 HB1 GLU 45 10.128 -12.514 2.835 376 1HG GLU 45 HG2 GLU 45 7.956 -12.954 3.839 377 2HG GLU 45 HG1 GLU 45 7.397 -11.340 3.417 378 H LYS 46 HN LYS 46 11.259 -9.186 3.240 379 HA LYS 46 HA LYS 46 13.871 -10.328 3.335 380 1HB LYS 46 HB2 LYS 46 12.834 -7.489 3.182 381 2HB LYS 46 HB1 LYS 46 14.536 -7.898 2.971 382 1HG LYS 46 HG2 LYS 46 12.321 -9.168 1.343 383 2HG LYS 46 HG1 LYS 46 13.200 -7.730 0.818 384 1HD LYS 46 HD2 LYS 46 15.343 -9.079 1.185 385 2HD LYS 46 HD1 LYS 46 14.306 -10.500 1.321 386 1HE LYS 46 HE2 LYS 46 13.607 -10.362 -0.923 387 2HE LYS 46 HE1 LYS 46 14.055 -8.649 -1.052 388 1HZ LYS 46 HZ1 LYS 46 16.342 -9.189 -0.902 389 2HZ LYS 46 HZ2 LYS 46 15.687 -10.238 -2.067 390 3HZ LYS 46 HZ3 LYS 46 16.017 -10.804 -0.499 391 H THR 47 HN THR 47 12.454 -7.819 5.507 392 HA THR 47 HA THR 47 14.073 -8.869 7.749 393 HB THR 47 HB THR 47 14.480 -6.099 6.581 394 HG1 THR 47 HG1 THR 47 16.071 -6.967 5.534 395 1HG2 THR 47 HG21 THR 47 15.269 -7.394 9.121 396 2HG2 THR 47 HG22 THR 47 15.104 -5.682 8.732 397 3HG2 THR 47 HG23 THR 47 16.566 -6.555 8.271 398 H GLY 48 HN GLY 48 11.135 -7.908 6.908 399 1HA GLY 48 HA2 GLY 48 9.297 -7.156 8.172 400 2HA GLY 48 HA1 GLY 48 10.359 -7.121 9.579 401 H GLN 49 HN GLN 49 10.860 -5.352 6.545 402 HA GLN 49 HA GLN 49 11.189 -2.845 8.050 403 1HB GLN 49 HB2 GLN 49 11.417 -3.695 5.149 404 2HB GLN 49 HB1 GLN 49 11.739 -2.048 5.692 405 1HG GLN 49 HG2 GLN 49 13.507 -2.828 7.176 406 2HG GLN 49 HG1 GLN 49 13.131 -4.508 6.791 407 1HE2 GLN 49 HE21 GLN 49 15.679 -2.934 6.277 408 2HE2 GLN 49 HE22 GLN 49 15.950 -3.079 4.608 409 H GLU 50 HN GLU 50 8.733 -4.389 6.107 410 HA GLU 50 HA GLU 50 6.658 -3.700 5.242 411 1HB GLU 50 HB2 GLU 50 5.248 -2.955 7.048 412 2HB GLU 50 HB1 GLU 50 6.461 -4.048 7.707 413 1HG GLU 50 HG2 GLU 50 7.722 -2.236 8.636 414 2HG GLU 50 HG1 GLU 50 6.786 -1.036 7.746 415 H TYR 51 HN TYR 51 5.085 -1.770 5.016 416 HA TYR 51 HA TYR 51 6.384 0.305 3.486 417 1HB TYR 51 HB2 TYR 51 4.185 -0.514 2.912 418 2HB TYR 51 HB1 TYR 51 3.569 -0.150 4.522 419 HD1 TYR 51 HD1 TYR 51 1.981 1.560 4.358 420 HD2 TYR 51 HD2 TYR 51 5.620 1.861 2.101 421 HE1 TYR 51 HE1 TYR 51 1.324 3.827 3.599 422 HE2 TYR 51 HE2 TYR 51 4.960 4.123 1.334 423 HH TYR 51 HH TYR 51 1.783 5.394 1.864 424 H LYS 52 HN LYS 52 7.291 2.168 4.255 425 HA LYS 52 HA LYS 52 7.093 2.978 7.040 426 1HB LYS 52 HB2 LYS 52 8.261 4.077 4.488 427 2HB LYS 52 HB1 LYS 52 8.264 5.056 5.954 428 1HG LYS 52 HG2 LYS 52 9.158 2.464 6.713 429 2HG LYS 52 HG1 LYS 52 10.020 2.880 5.233 430 1HD LYS 52 HD2 LYS 52 10.336 5.210 6.445 431 2HD LYS 52 HD1 LYS 52 10.063 4.248 7.899 432 1HE LYS 52 HE2 LYS 52 11.840 2.631 6.706 433 2HE LYS 52 HE1 LYS 52 12.354 4.169 5.985 434 1HZ LYS 52 HZ1 LYS 52 11.926 3.669 8.884 435 2HZ LYS 52 HZ2 LYS 52 12.381 5.155 8.196 436 3HZ LYS 52 HZ3 LYS 52 13.434 3.823 8.124 437 HA PRO 53 HA PRO 53 3.372 5.306 6.594 438 1HB PRO 53 HB2 PRO 53 3.545 6.929 8.778 439 2HB PRO 53 HB1 PRO 53 3.154 5.201 8.867 440 1HG PRO 53 HG2 PRO 53 5.702 6.597 9.459 441 2HG PRO 53 HG1 PRO 53 4.992 5.166 10.218 442 1HD PRO 53 HD2 PRO 53 7.040 5.125 8.363 443 2HD PRO 53 HD1 PRO 53 5.977 3.752 8.743 444 H GLY 54 HN GLY 54 6.439 6.815 6.239 445 1HA GLY 54 HA2 GLY 54 5.353 9.546 5.925 446 2HA GLY 54 HA1 GLY 54 7.021 9.060 5.699 447 H ASN 55 HN ASN 55 4.323 7.466 3.995 448 HA ASN 55 HA ASN 55 3.905 7.310 1.661 449 1HB ASN 55 HB2 ASN 55 4.177 10.066 2.500 450 2HB ASN 55 HB1 ASN 55 4.777 9.902 0.848 451 1HD2 ASN 55 HD21 ASN 55 2.150 7.990 2.378 452 2HD2 ASN 55 HD22 ASN 55 0.934 8.523 1.312 453 HA PRO 56 HA PRO 56 7.625 6.527 -0.574 454 1HB PRO 56 HB2 PRO 56 7.364 7.695 -3.042 455 2HB PRO 56 HB1 PRO 56 6.501 6.220 -2.562 456 1HG PRO 56 HG2 PRO 56 5.530 9.029 -2.672 457 2HG PRO 56 HG1 PRO 56 4.693 7.528 -3.095 458 1HD PRO 56 HD2 PRO 56 4.269 8.862 -0.774 459 2HD PRO 56 HD1 PRO 56 4.082 7.101 -0.928 460 HA PRO 57 HA PRO 57 10.320 9.966 0.039 461 1HB PRO 57 HB2 PRO 57 12.581 9.055 -1.201 462 2HB PRO 57 HB1 PRO 57 12.026 8.443 0.370 463 1HG PRO 57 HG2 PRO 57 11.737 7.244 -2.336 464 2HG PRO 57 HG1 PRO 57 12.069 6.462 -0.782 465 1HD PRO 57 HD2 PRO 57 9.613 6.474 -1.968 466 2HD PRO 57 HD1 PRO 57 9.861 6.364 -0.211 Start of MODEL 12 1 2H ASP 1 HN2 ASP 1 17.542 0.835 -6.461 2 H ASP 1 H ASP 1 19.200 1.165 -6.285 3 HA ASP 1 HA ASP 1 18.957 1.019 -3.847 4 1HB ASP 1 HB2 ASP 1 18.698 3.067 -5.453 5 2HB ASP 1 HB1 ASP 1 16.987 2.969 -5.034 6 H SER 2 HN SER 2 17.482 0.816 -2.064 7 HA SER 2 HA SER 2 15.271 -1.006 -2.424 8 1HB SER 2 HB2 SER 2 15.997 0.783 -0.081 9 2HB SER 2 HB1 SER 2 15.014 -0.676 -0.007 10 HG SER 2 HG SER 2 16.828 -1.854 -0.685 11 H LEU 3 HN LEU 3 15.464 2.416 -2.780 12 HA LEU 3 HA LEU 3 12.911 3.263 -1.836 13 1HB LEU 3 HB2 LEU 3 15.076 4.476 -2.817 14 2HB LEU 3 HB1 LEU 3 14.125 4.441 -4.298 15 HG LEU 3 HG LEU 3 12.826 5.367 -1.761 16 1HD1 LEU 3 HD11 LEU 3 14.330 7.234 -3.599 17 2HD1 LEU 3 HD12 LEU 3 15.072 6.562 -2.147 18 3HD1 LEU 3 HD13 LEU 3 13.641 7.584 -2.014 19 1HD2 LEU 3 HD21 LEU 3 12.524 5.953 -4.721 20 2HD2 LEU 3 HD22 LEU 3 11.630 6.808 -3.465 21 3HD2 LEU 3 HD23 LEU 3 11.396 5.074 -3.688 22 H VAL 4 HN VAL 4 13.894 1.821 -4.946 23 HA VAL 4 HA VAL 4 11.553 2.319 -6.455 24 HB VAL 4 HB VAL 4 12.257 0.295 -7.711 25 1HG1 VAL 4 HG11 VAL 4 13.486 2.613 -7.684 26 2HG1 VAL 4 HG12 VAL 4 14.235 1.244 -8.504 27 3HG1 VAL 4 HG13 VAL 4 14.774 1.709 -6.890 28 1HG2 VAL 4 HG21 VAL 4 13.835 -0.157 -5.205 29 2HG2 VAL 4 HG22 VAL 4 14.508 -0.693 -6.741 30 3HG2 VAL 4 HG23 VAL 4 12.954 -1.319 -6.193 31 H LEU 5 HN LEU 5 12.213 -0.327 -4.154 32 HA LEU 5 HA LEU 5 9.791 -1.804 -4.508 33 1HB LEU 5 HB2 LEU 5 11.645 -1.344 -2.152 34 2HB LEU 5 HB1 LEU 5 10.344 -2.533 -2.133 35 HG LEU 5 HG LEU 5 12.450 -2.494 -4.299 36 1HD1 LEU 5 HD11 LEU 5 12.434 -4.051 -1.694 37 2HD1 LEU 5 HD12 LEU 5 13.563 -2.764 -2.116 38 3HD1 LEU 5 HD13 LEU 5 13.582 -4.281 -3.014 39 1HD2 LEU 5 HD21 LEU 5 11.541 -4.531 -4.939 40 2HD2 LEU 5 HD22 LEU 5 10.094 -3.757 -4.295 41 3HD2 LEU 5 HD23 LEU 5 10.989 -4.912 -3.309 42 H TYR 6 HN TYR 6 10.624 0.926 -2.382 43 HA TYR 6 HA TYR 6 8.238 1.115 -0.856 44 1HB TYR 6 HB2 TYR 6 10.552 2.739 -1.578 45 2HB TYR 6 HB1 TYR 6 9.110 3.734 -1.424 46 HD1 TYR 6 HD1 TYR 6 11.186 1.193 0.353 47 HD2 TYR 6 HD2 TYR 6 8.201 4.264 0.693 48 HE1 TYR 6 HE1 TYR 6 11.394 1.125 2.824 49 HE2 TYR 6 HE2 TYR 6 8.407 4.192 3.163 50 HH TYR 6 HH TYR 6 9.167 2.430 4.896 51 H ASN 7 HN ASN 7 9.013 2.511 -4.049 52 HA ASN 7 HA ASN 7 6.641 4.029 -4.433 53 1HB ASN 7 HB2 ASN 7 8.530 2.602 -6.317 54 2HB ASN 7 HB1 ASN 7 7.267 3.699 -6.878 55 1HD2 ASN 7 HD21 ASN 7 7.310 5.899 -5.450 56 2HD2 ASN 7 HD22 ASN 7 8.854 6.582 -5.281 57 H ARG 8 HN ARG 8 7.293 0.586 -5.202 58 HA ARG 8 HA ARG 8 4.890 0.051 -6.640 59 1HB ARG 8 HB2 ARG 8 6.607 -1.666 -4.817 60 2HB ARG 8 HB1 ARG 8 5.382 -2.308 -5.909 61 1HG ARG 8 HG2 ARG 8 7.638 -0.539 -6.871 62 2HG ARG 8 HG1 ARG 8 7.776 -2.296 -6.805 63 1HD ARG 8 HD2 ARG 8 5.500 -0.910 -8.255 64 2HD ARG 8 HD1 ARG 8 7.015 -1.363 -9.057 65 HE ARG 8 HE ARG 8 6.033 -3.605 -7.558 66 1HH1 ARG 8 HH11 ARG 8 7.019 -3.893 -10.325 67 2HH1 ARG 8 HH12 ARG 8 5.572 -4.218 -11.219 68 1HH2 ARG 8 HH21 ARG 8 3.455 -3.079 -8.723 69 2HH2 ARG 8 HH22 ARG 8 3.556 -3.759 -10.313 70 H VAL 9 HN VAL 9 5.551 -0.609 -3.171 71 HA VAL 9 HA VAL 9 2.791 -1.204 -2.555 72 HB VAL 9 HB VAL 9 4.705 -2.056 -1.260 73 1HG1 VAL 9 HG11 VAL 9 5.921 0.277 -1.528 74 2HG1 VAL 9 HG12 VAL 9 6.229 -0.729 -0.118 75 3HG1 VAL 9 HG13 VAL 9 5.114 0.635 -0.005 76 1HG2 VAL 9 HG21 VAL 9 3.740 -1.826 0.885 77 2HG2 VAL 9 HG22 VAL 9 2.393 -1.542 -0.217 78 3HG2 VAL 9 HG23 VAL 9 3.199 -0.179 0.560 79 H ALA 10 HN ALA 10 4.778 1.716 -2.308 80 HA ALA 10 HA ALA 10 3.001 3.383 -0.840 81 1HB ALA 10 HB1 ALA 10 5.060 3.897 -2.994 82 2HB ALA 10 HB2 ALA 10 5.275 4.020 -1.248 83 3HB ALA 10 HB3 ALA 10 4.274 5.194 -2.101 84 H VAL 11 HN VAL 11 3.300 2.966 -4.380 85 HA VAL 11 HA VAL 11 1.336 4.871 -5.154 86 HB VAL 11 HB VAL 11 2.361 2.296 -6.389 87 1HG1 VAL 11 HG11 VAL 11 0.359 2.629 -7.589 88 2HG1 VAL 11 HG12 VAL 11 1.561 3.477 -8.561 89 3HG1 VAL 11 HG13 VAL 11 0.488 4.385 -7.495 90 1HG2 VAL 11 HG21 VAL 11 2.962 5.135 -7.207 91 2HG2 VAL 11 HG22 VAL 11 3.904 3.677 -7.521 92 3HG2 VAL 11 HG23 VAL 11 3.851 4.361 -5.896 93 H GLN 12 HN GLN 12 0.961 1.339 -4.594 94 HA GLN 12 HA GLN 12 -1.836 1.184 -5.161 95 1HB GLN 12 HB2 GLN 12 -0.218 -0.701 -4.882 96 2HB GLN 12 HB1 GLN 12 -0.166 -0.368 -3.152 97 1HG GLN 12 HG2 GLN 12 -1.770 -2.078 -3.309 98 2HG GLN 12 HG1 GLN 12 -2.754 -0.614 -3.255 99 1HE2 GLN 12 HE21 GLN 12 -0.932 -2.216 -5.939 100 2HE2 GLN 12 HE22 GLN 12 -2.261 -2.281 -6.991 101 H GLY 13 HN GLY 13 -0.177 1.554 -2.018 102 1HA GLY 13 HA2 GLY 13 -2.198 1.685 -0.177 103 2HA GLY 13 HA1 GLY 13 -0.817 2.798 -0.108 104 H ASP 14 HN ASP 14 -1.158 4.429 -2.170 105 HA ASP 14 HA ASP 14 -3.055 6.352 -1.255 106 1HB ASP 14 HB2 ASP 14 -1.498 5.973 -3.822 107 2HB ASP 14 HB1 ASP 14 -2.434 7.429 -3.478 108 H VAL 15 HN VAL 15 -3.263 3.956 -3.906 109 HA VAL 15 HA VAL 15 -5.634 4.956 -5.118 110 HB VAL 15 HB VAL 15 -3.852 2.977 -5.618 111 1HG1 VAL 15 HG11 VAL 15 -6.350 1.390 -5.018 112 2HG1 VAL 15 HG12 VAL 15 -5.032 1.509 -3.856 113 3HG1 VAL 15 HG13 VAL 15 -4.746 0.791 -5.439 114 1HG2 VAL 15 HG21 VAL 15 -5.320 2.337 -7.489 115 2HG2 VAL 15 HG22 VAL 15 -5.338 4.083 -7.236 116 3HG2 VAL 15 HG23 VAL 15 -6.689 3.096 -6.675 117 H VAL 16 HN VAL 16 -5.213 2.773 -2.341 118 HA VAL 16 HA VAL 16 -7.956 2.060 -1.939 119 HB VAL 16 HB VAL 16 -5.571 2.421 -0.094 120 1HG1 VAL 16 HG11 VAL 16 -8.284 1.195 0.501 121 2HG1 VAL 16 HG12 VAL 16 -7.560 2.589 1.303 122 3HG1 VAL 16 HG13 VAL 16 -6.858 0.986 1.517 123 1HG2 VAL 16 HG21 VAL 16 -5.269 0.091 -0.365 124 2HG2 VAL 16 HG22 VAL 16 -5.670 0.664 -1.984 125 3HG2 VAL 16 HG23 VAL 16 -6.900 -0.128 -0.999 126 H ARG 17 HN ARG 17 -6.022 4.802 -0.694 127 HA ARG 17 HA ARG 17 -8.064 6.043 0.873 128 1HB ARG 17 HB2 ARG 17 -5.654 6.610 0.930 129 2HB ARG 17 HB1 ARG 17 -5.763 7.245 -0.712 130 1HG ARG 17 HG2 ARG 17 -5.885 9.093 0.888 131 2HG ARG 17 HG1 ARG 17 -7.436 8.914 0.071 132 1HD ARG 17 HD2 ARG 17 -8.300 7.623 2.018 133 2HD ARG 17 HD1 ARG 17 -6.751 7.878 2.847 134 HE ARG 17 HE ARG 17 -8.645 10.056 2.076 135 1HH1 ARG 17 HH11 ARG 17 -7.424 8.854 4.812 136 2HH1 ARG 17 HH12 ARG 17 -6.558 10.264 5.325 137 1HH2 ARG 17 HH21 ARG 17 -6.881 11.891 2.278 138 2HH2 ARG 17 HH22 ARG 17 -6.252 11.986 3.890 139 H GLU 18 HN GLU 18 -7.202 6.396 -2.567 140 HA GLU 18 HA GLU 18 -9.039 8.487 -3.214 141 1HB GLU 18 HB2 GLU 18 -7.745 6.271 -4.776 142 2HB GLU 18 HB1 GLU 18 -8.686 7.540 -5.548 143 1HG GLU 18 HG2 GLU 18 -7.185 9.245 -4.663 144 2HG GLU 18 HG1 GLU 18 -6.285 8.026 -3.758 145 H LEU 19 HN LEU 19 -9.406 4.941 -3.290 146 HA LEU 19 HA LEU 19 -11.957 4.815 -4.549 147 1HB LEU 19 HB2 LEU 19 -10.600 3.091 -2.492 148 2HB LEU 19 HB1 LEU 19 -12.044 2.596 -3.368 149 HG LEU 19 HG LEU 19 -9.479 3.462 -4.723 150 1HD1 LEU 19 HD11 LEU 19 -8.909 1.158 -4.993 151 2HD1 LEU 19 HD12 LEU 19 -10.475 0.627 -4.379 152 3HD1 LEU 19 HD13 LEU 19 -9.300 1.357 -3.285 153 1HD2 LEU 19 HD21 LEU 19 -11.402 3.692 -6.156 154 2HD2 LEU 19 HD22 LEU 19 -12.027 2.118 -5.661 155 3HD2 LEU 19 HD23 LEU 19 -10.564 2.218 -6.641 156 H LYS 20 HN LYS 20 -11.097 5.172 -1.127 157 HA LYS 20 HA LYS 20 -13.749 4.983 -0.068 158 1HB LYS 20 HB2 LYS 20 -11.282 4.974 0.972 159 2HB LYS 20 HB1 LYS 20 -11.644 6.685 1.207 160 1HG LYS 20 HG2 LYS 20 -12.377 5.587 3.199 161 2HG LYS 20 HG1 LYS 20 -13.840 5.935 2.275 162 1HD LYS 20 HD2 LYS 20 -13.922 3.664 1.429 163 2HD LYS 20 HD1 LYS 20 -12.359 3.292 2.159 164 1HE LYS 20 HE2 LYS 20 -14.719 4.204 3.826 165 2HE LYS 20 HE1 LYS 20 -14.409 2.493 3.476 166 1HZ LYS 20 HZ1 LYS 20 -13.233 2.948 5.447 167 2HZ LYS 20 HZ2 LYS 20 -12.633 4.424 4.857 168 3HZ LYS 20 HZ3 LYS 20 -12.055 2.955 4.227 169 H ALA 21 HN ALA 21 -11.730 7.704 -1.100 170 HA ALA 21 HA ALA 21 -13.530 9.829 -0.434 171 1HB ALA 21 HB1 ALA 21 -11.604 9.624 -2.777 172 2HB ALA 21 HB2 ALA 21 -11.100 9.971 -1.123 173 3HB ALA 21 HB3 ALA 21 -12.144 11.103 -1.982 174 H LYS 22 HN LYS 22 -13.514 7.429 -2.977 175 HA LYS 22 HA LYS 22 -15.480 8.851 -4.656 176 1HB LYS 22 HB2 LYS 22 -14.139 6.137 -4.700 177 2HB LYS 22 HB1 LYS 22 -15.303 6.647 -5.920 178 1HG LYS 22 HG2 LYS 22 -13.900 8.595 -6.460 179 2HG LYS 22 HG1 LYS 22 -12.739 8.108 -5.229 180 1HD LYS 22 HD2 LYS 22 -11.705 6.835 -6.771 181 2HD LYS 22 HD1 LYS 22 -13.143 5.817 -6.840 182 1HE LYS 22 HE2 LYS 22 -13.001 6.484 -9.072 183 2HE LYS 22 HE1 LYS 22 -14.008 7.797 -8.430 184 1HZ LYS 22 HZ1 LYS 22 -12.091 9.134 -8.065 185 2HZ LYS 22 HZ2 LYS 22 -12.003 8.570 -9.665 186 3HZ LYS 22 HZ3 LYS 22 -11.041 7.862 -8.457 187 H LYS 23 HN LYS 23 -15.850 7.457 -1.715 188 HA LYS 23 HA LYS 23 -17.674 6.525 -0.563 189 1HB LYS 23 HB2 LYS 23 -19.064 7.386 -3.105 190 2HB LYS 23 HB1 LYS 23 -19.886 6.948 -1.613 191 1HG LYS 23 HG2 LYS 23 -18.718 8.772 -0.429 192 2HG LYS 23 HG1 LYS 23 -17.902 9.222 -1.927 193 1HD LYS 23 HD2 LYS 23 -19.764 10.695 -1.778 194 2HD LYS 23 HD1 LYS 23 -20.250 9.462 -2.943 195 1HE LYS 23 HE2 LYS 23 -22.127 9.577 -1.517 196 2HE LYS 23 HE1 LYS 23 -21.208 8.230 -0.813 197 1HZ LYS 23 HZ1 LYS 23 -21.850 9.962 0.831 198 2HZ LYS 23 HZ2 LYS 23 -20.873 11.070 -0.009 199 3HZ LYS 23 HZ3 LYS 23 -20.176 9.708 0.729 200 H ALA 24 HN ALA 24 -16.110 4.936 -2.721 201 HA ALA 24 HA ALA 24 -17.799 3.006 -3.948 202 1HB ALA 24 HB1 ALA 24 -15.489 3.188 -4.561 203 2HB ALA 24 HB2 ALA 24 -15.657 1.604 -3.803 204 3HB ALA 24 HB3 ALA 24 -14.960 2.946 -2.896 205 HA PRO 25 HA PRO 25 -19.177 0.483 -0.615 206 1HB PRO 25 HB2 PRO 25 -19.040 -2.045 -1.657 207 2HB PRO 25 HB1 PRO 25 -20.271 -0.861 -2.141 208 1HG PRO 25 HG2 PRO 25 -17.754 -1.646 -3.526 209 2HG PRO 25 HG1 PRO 25 -19.352 -1.293 -4.202 210 1HD PRO 25 HD2 PRO 25 -17.294 0.481 -4.252 211 2HD PRO 25 HD1 PRO 25 -19.002 0.973 -4.198 212 H LYS 26 HN LYS 26 -18.492 -1.268 0.900 213 HA LYS 26 HA LYS 26 -15.817 -1.033 1.800 214 1HB LYS 26 HB2 LYS 26 -17.951 -3.153 2.174 215 2HB LYS 26 HB1 LYS 26 -16.457 -3.114 3.114 216 1HG LYS 26 HG2 LYS 26 -18.270 -0.708 2.931 217 2HG LYS 26 HG1 LYS 26 -18.524 -1.964 4.142 218 1HD LYS 26 HD2 LYS 26 -16.156 -1.642 4.898 219 2HD LYS 26 HD1 LYS 26 -16.026 -0.286 3.775 220 1HE LYS 26 HE2 LYS 26 -17.814 0.911 4.931 221 2HE LYS 26 HE1 LYS 26 -18.092 -0.478 5.998 222 1HZ LYS 26 HZ1 LYS 26 -15.432 0.802 5.733 223 2HZ LYS 26 HZ2 LYS 26 -15.968 -0.267 6.940 224 3HZ LYS 26 HZ3 LYS 26 -16.567 1.321 6.882 225 H GLU 27 HN GLU 27 -17.260 -3.313 -0.481 226 HA GLU 27 HA GLU 27 -15.242 -5.306 -0.561 227 1HB GLU 27 HB2 GLU 27 -17.110 -4.160 -2.652 228 2HB GLU 27 HB1 GLU 27 -16.140 -5.608 -2.923 229 1HG GLU 27 HG2 GLU 27 -17.220 -6.766 -1.111 230 2HG GLU 27 HG1 GLU 27 -18.029 -5.295 -0.581 231 H ASP 28 HN ASP 28 -15.471 -2.205 -2.310 232 HA ASP 28 HA ASP 28 -13.114 -2.605 -3.938 233 1HB ASP 28 HB2 ASP 28 -14.819 -0.274 -3.069 234 2HB ASP 28 HB1 ASP 28 -13.377 -0.011 -4.049 235 H VAL 29 HN VAL 29 -13.678 -0.946 -0.825 236 HA VAL 29 HA VAL 29 -11.004 0.090 -0.524 237 HB VAL 29 HB VAL 29 -13.149 -0.660 1.495 238 1HG1 VAL 29 HG11 VAL 29 -12.029 0.883 3.013 239 2HG1 VAL 29 HG12 VAL 29 -10.829 1.272 1.781 240 3HG1 VAL 29 HG13 VAL 29 -10.874 -0.343 2.488 241 1HG2 VAL 29 HG21 VAL 29 -12.504 2.035 0.268 242 2HG2 VAL 29 HG22 VAL 29 -13.867 1.640 1.314 243 3HG2 VAL 29 HG23 VAL 29 -13.789 0.978 -0.317 244 H ASP 30 HN ASP 30 -12.605 -2.773 0.893 245 HA ASP 30 HA ASP 30 -10.342 -3.833 2.255 246 1HB ASP 30 HB2 ASP 30 -12.829 -5.062 1.030 247 2HB ASP 30 HB1 ASP 30 -11.717 -5.975 2.053 248 H ALA 31 HN ALA 31 -11.557 -4.535 -1.047 249 HA ALA 31 HA ALA 31 -9.580 -6.490 -1.722 250 1HB ALA 31 HB1 ALA 31 -11.351 -4.583 -3.252 251 2HB ALA 31 HB2 ALA 31 -11.500 -6.334 -3.096 252 3HB ALA 31 HB3 ALA 31 -10.227 -5.643 -4.102 253 H ALA 32 HN ALA 32 -9.686 -2.984 -2.398 254 HA ALA 32 HA ALA 32 -7.140 -2.833 -3.703 255 1HB ALA 32 HB1 ALA 32 -8.802 -1.080 -3.887 256 2HB ALA 32 HB2 ALA 32 -7.389 -0.385 -3.093 257 3HB ALA 32 HB3 ALA 32 -8.805 -0.832 -2.141 258 H VAL 33 HN VAL 33 -8.035 -2.338 -0.254 259 HA VAL 33 HA VAL 33 -5.368 -1.649 0.572 260 HB VAL 33 HB VAL 33 -7.764 -1.420 1.694 261 1HG1 VAL 33 HG11 VAL 33 -7.908 -2.997 3.675 262 2HG1 VAL 33 HG12 VAL 33 -6.769 -4.042 2.835 263 3HG1 VAL 33 HG13 VAL 33 -8.346 -3.698 2.122 264 1HG2 VAL 33 HG21 VAL 33 -5.274 -1.953 3.330 265 2HG2 VAL 33 HG22 VAL 33 -6.644 -0.947 3.804 266 3HG2 VAL 33 HG23 VAL 33 -5.607 -0.452 2.465 267 H LYS 34 HN LYS 34 -7.099 -4.711 0.260 268 HA LYS 34 HA LYS 34 -5.178 -6.441 1.499 269 1HB LYS 34 HB2 LYS 34 -7.493 -7.044 0.812 270 2HB LYS 34 HB1 LYS 34 -7.021 -6.887 -0.880 271 1HG LYS 34 HG2 LYS 34 -6.884 -9.219 -0.385 272 2HG LYS 34 HG1 LYS 34 -5.220 -8.634 -0.397 273 1HD LYS 34 HD2 LYS 34 -5.144 -9.730 1.616 274 2HD LYS 34 HD1 LYS 34 -5.813 -8.206 2.200 275 1HE LYS 34 HE2 LYS 34 -8.057 -9.077 2.177 276 2HE LYS 34 HE1 LYS 34 -7.544 -10.530 1.296 277 1HZ LYS 34 HZ1 LYS 34 -7.676 -11.009 3.650 278 2HZ LYS 34 HZ2 LYS 34 -6.640 -9.711 4.007 279 3HZ LYS 34 HZ3 LYS 34 -6.056 -11.057 3.151 280 H GLN 35 HN GLN 35 -5.465 -5.136 -1.773 281 HA GLN 35 HA GLN 35 -3.406 -6.601 -3.077 282 1HB GLN 35 HB2 GLN 35 -5.232 -4.935 -3.918 283 2HB GLN 35 HB1 GLN 35 -4.037 -3.689 -3.568 284 1HG GLN 35 HG2 GLN 35 -2.454 -4.647 -5.102 285 2HG GLN 35 HG1 GLN 35 -3.446 -6.090 -5.312 286 1HE2 GLN 35 HE21 GLN 35 -2.687 -4.474 -7.552 287 2HE2 GLN 35 HE22 GLN 35 -4.083 -3.739 -8.180 288 H LEU 36 HN LEU 36 -3.229 -3.454 -1.361 289 HA LEU 36 HA LEU 36 -0.463 -2.990 -1.851 290 1HB LEU 36 HB2 LEU 36 -0.785 -1.152 -0.495 291 2HB LEU 36 HB1 LEU 36 -2.458 -1.544 -0.858 292 HG LEU 36 HG LEU 36 -2.253 -3.017 1.329 293 1HD1 LEU 36 HD11 LEU 36 -0.779 -1.500 2.925 294 2HD1 LEU 36 HD12 LEU 36 0.092 -1.167 1.428 295 3HD1 LEU 36 HD13 LEU 36 -0.051 -2.823 2.015 296 1HD2 LEU 36 HD21 LEU 36 -2.492 -0.443 2.449 297 2HD2 LEU 36 HD22 LEU 36 -3.803 -1.448 1.834 298 3HD2 LEU 36 HD23 LEU 36 -3.030 -0.267 0.778 299 H LEU 37 HN LEU 37 -2.067 -4.918 0.675 300 HA LEU 37 HA LEU 37 0.167 -5.364 2.379 301 1HB LEU 37 HB2 LEU 37 -2.362 -6.755 1.689 302 2HB LEU 37 HB1 LEU 37 -1.167 -7.666 2.610 303 HG LEU 37 HG LEU 37 -1.097 -5.377 4.004 304 1HD1 LEU 37 HD11 LEU 37 -3.648 -4.783 4.201 305 2HD1 LEU 37 HD12 LEU 37 -3.732 -5.438 2.566 306 3HD1 LEU 37 HD13 LEU 37 -2.686 -4.063 2.913 307 1HD2 LEU 37 HD21 LEU 37 -3.317 -7.416 4.351 308 2HD2 LEU 37 HD22 LEU 37 -2.565 -6.441 5.614 309 3HD2 LEU 37 HD23 LEU 37 -1.638 -7.706 4.807 310 H SER 38 HN SER 38 -0.860 -7.011 -0.597 311 HA SER 38 HA SER 38 1.071 -9.121 -0.587 312 1HB SER 38 HB2 SER 38 0.401 -9.393 -2.853 313 2HB SER 38 HB1 SER 38 -1.004 -8.668 -2.079 314 HG SER 38 HG SER 38 0.971 -7.439 -3.694 315 H LEU 39 HN LEU 39 1.226 -5.767 -1.788 316 HA LEU 39 HA LEU 39 3.851 -5.934 -2.967 317 1HB LEU 39 HB2 LEU 39 2.344 -3.606 -1.708 318 2HB LEU 39 HB1 LEU 39 3.719 -3.454 -2.803 319 HG LEU 39 HG LEU 39 1.061 -4.750 -3.489 320 1HD1 LEU 39 HD11 LEU 39 2.290 -2.112 -4.341 321 2HD1 LEU 39 HD12 LEU 39 0.891 -2.311 -3.285 322 3HD1 LEU 39 HD13 LEU 39 0.793 -2.790 -4.980 323 1HD2 LEU 39 HD21 LEU 39 2.267 -4.322 -5.859 324 2HD2 LEU 39 HD22 LEU 39 2.491 -5.821 -4.957 325 3HD2 LEU 39 HD23 LEU 39 3.706 -4.546 -4.864 326 H LYS 40 HN LYS 40 2.715 -4.844 0.243 327 HA LYS 40 HA LYS 40 5.283 -4.278 1.376 328 1HB LYS 40 HB2 LYS 40 3.087 -3.573 2.305 329 2HB LYS 40 HB1 LYS 40 2.723 -5.254 2.687 330 1HG LYS 40 HG2 LYS 40 4.688 -5.356 4.169 331 2HG LYS 40 HG1 LYS 40 5.056 -3.672 3.794 332 1HD LYS 40 HD2 LYS 40 3.849 -3.754 5.905 333 2HD LYS 40 HD1 LYS 40 2.803 -3.034 4.680 334 1HE LYS 40 HE2 LYS 40 1.439 -4.936 4.535 335 2HE LYS 40 HE1 LYS 40 2.705 -6.009 5.161 336 1HZ LYS 40 HZ1 LYS 40 2.474 -5.155 7.308 337 2HZ LYS 40 HZ2 LYS 40 0.871 -5.323 6.771 338 3HZ LYS 40 HZ3 LYS 40 1.608 -3.792 6.789 339 H ALA 41 HN ALA 41 3.445 -7.255 0.964 340 HA ALA 41 HA ALA 41 4.862 -8.967 2.748 341 1HB ALA 41 HB1 ALA 41 3.187 -10.237 1.901 342 2HB ALA 41 HB2 ALA 41 4.150 -10.440 0.439 343 3HB ALA 41 HB3 ALA 41 2.976 -9.130 0.545 344 H GLU 42 HN GLU 42 5.525 -8.063 -0.655 345 HA GLU 42 HA GLU 42 7.810 -9.762 -1.038 346 1HB GLU 42 HB2 GLU 42 6.948 -7.089 -2.190 347 2HB GLU 42 HB1 GLU 42 8.322 -8.006 -2.812 348 1HG GLU 42 HG2 GLU 42 6.841 -9.931 -3.257 349 2HG GLU 42 HG1 GLU 42 5.466 -9.019 -2.638 350 H TYR 43 HN TYR 43 7.561 -6.341 0.009 351 HA TYR 43 HA TYR 43 10.352 -5.905 0.499 352 1HB TYR 43 HB2 TYR 43 7.993 -4.465 0.609 353 2HB TYR 43 HB1 TYR 43 8.437 -4.577 2.313 354 HD1 TYR 43 HD1 TYR 43 8.584 -2.336 -0.157 355 HD2 TYR 43 HD2 TYR 43 11.350 -4.511 2.311 356 HE1 TYR 43 HE1 TYR 43 10.280 -0.557 -0.485 357 HE2 TYR 43 HE2 TYR 43 13.044 -2.730 1.980 358 HH TYR 43 HH TYR 43 12.705 0.028 1.320 359 H LYS 44 HN LYS 44 7.722 -7.184 2.469 360 HA LYS 44 HA LYS 44 9.017 -7.370 4.990 361 1HB LYS 44 HB2 LYS 44 6.586 -7.639 4.517 362 2HB LYS 44 HB1 LYS 44 6.930 -9.192 3.754 363 1HG LYS 44 HG2 LYS 44 7.892 -10.021 5.872 364 2HG LYS 44 HG1 LYS 44 7.538 -8.472 6.636 365 1HD LYS 44 HD2 LYS 44 5.130 -8.804 6.193 366 2HD LYS 44 HD1 LYS 44 5.488 -10.362 5.445 367 1HE LYS 44 HE2 LYS 44 6.728 -10.817 7.755 368 2HE LYS 44 HE1 LYS 44 5.585 -9.592 8.340 369 1HZ LYS 44 HZ1 LYS 44 4.943 -12.089 6.869 370 2HZ LYS 44 HZ2 LYS 44 3.818 -10.847 7.144 371 3HZ LYS 44 HZ3 LYS 44 4.494 -11.691 8.455 372 H GLU 45 HN GLU 45 9.265 -9.429 2.140 373 HA GLU 45 HA GLU 45 10.190 -11.840 3.265 374 1HB GLU 45 HB2 GLU 45 10.863 -10.370 0.707 375 2HB GLU 45 HB1 GLU 45 11.418 -12.012 1.030 376 1HG GLU 45 HG2 GLU 45 9.080 -12.742 1.337 377 2HG GLU 45 HG1 GLU 45 8.529 -11.104 1.012 378 H LYS 46 HN LYS 46 12.058 -8.881 2.529 379 HA LYS 46 HA LYS 46 14.645 -9.972 3.127 380 1HB LYS 46 HB2 LYS 46 13.458 -7.185 3.234 381 2HB LYS 46 HB1 LYS 46 15.178 -7.505 3.439 382 1HG LYS 46 HG2 LYS 46 15.247 -8.584 1.220 383 2HG LYS 46 HG1 LYS 46 13.525 -8.260 1.011 384 1HD LYS 46 HD2 LYS 46 13.956 -5.835 1.203 385 2HD LYS 46 HD1 LYS 46 15.678 -6.159 1.405 386 1HE LYS 46 HE2 LYS 46 15.320 -5.595 -0.926 387 2HE LYS 46 HE1 LYS 46 15.600 -7.346 -0.857 388 1HZ LYS 46 HZ1 LYS 46 12.900 -6.132 -0.668 389 2HZ LYS 46 HZ2 LYS 46 13.289 -7.769 -0.903 390 3HZ LYS 46 HZ3 LYS 46 13.572 -6.640 -2.140 391 H THR 47 HN THR 47 12.626 -7.794 5.188 392 HA THR 47 HA THR 47 13.196 -9.379 7.585 393 HB THR 47 HB THR 47 15.340 -8.237 7.135 394 HG1 THR 47 HG1 THR 47 13.888 -7.192 9.333 395 1HG2 THR 47 HG21 THR 47 14.060 -6.244 6.027 396 2HG2 THR 47 HG22 THR 47 15.554 -5.916 6.906 397 3HG2 THR 47 HG23 THR 47 13.995 -5.600 7.668 398 H GLY 48 HN GLY 48 10.851 -8.020 6.172 399 1HA GLY 48 HA2 GLY 48 8.862 -6.968 6.899 400 2HA GLY 48 HA1 GLY 48 9.501 -7.047 8.542 401 H GLN 49 HN GLN 49 9.919 -5.237 5.493 402 HA GLN 49 HA GLN 49 11.200 -2.987 6.891 403 1HB GLN 49 HB2 GLN 49 10.370 -3.600 4.054 404 2HB GLN 49 HB1 GLN 49 11.145 -2.083 4.509 405 1HG GLN 49 HG2 GLN 49 12.323 -4.821 5.066 406 2HG GLN 49 HG1 GLN 49 12.755 -3.824 3.676 407 1HE2 GLN 49 HE21 GLN 49 13.077 -1.303 4.633 408 2HE2 GLN 49 HE22 GLN 49 14.217 -1.248 5.890 409 H GLU 50 HN GLU 50 7.959 -3.869 6.012 410 HA GLU 50 HA GLU 50 5.967 -2.595 5.700 411 1HB GLU 50 HB2 GLU 50 5.461 -1.566 7.946 412 2HB GLU 50 HB1 GLU 50 6.059 -3.220 8.006 413 1HG GLU 50 HG2 GLU 50 8.316 -2.397 8.561 414 2HG GLU 50 HG1 GLU 50 7.738 -0.736 8.489 415 H TYR 51 HN TYR 51 6.055 -1.054 4.074 416 HA TYR 51 HA TYR 51 7.614 1.300 3.990 417 1HB TYR 51 HB2 TYR 51 6.170 1.903 2.160 418 2HB TYR 51 HB1 TYR 51 6.296 0.147 2.154 419 HD1 TYR 51 HD1 TYR 51 4.090 3.014 2.563 420 HD2 TYR 51 HD2 TYR 51 4.388 -1.245 3.055 421 HE1 TYR 51 HE1 TYR 51 1.622 2.859 2.731 422 HE2 TYR 51 HE2 TYR 51 1.920 -1.396 3.226 423 HH TYR 51 HH TYR 51 -0.139 1.100 2.330 424 H LYS 52 HN LYS 52 7.338 3.387 4.740 425 HA LYS 52 HA LYS 52 5.694 3.893 7.043 426 1HB LYS 52 HB2 LYS 52 7.320 5.542 5.110 427 2HB LYS 52 HB1 LYS 52 6.383 6.329 6.380 428 1HG LYS 52 HG2 LYS 52 7.588 5.188 8.105 429 2HG LYS 52 HG1 LYS 52 8.340 4.090 6.946 430 1HD LYS 52 HD2 LYS 52 9.561 5.958 5.930 431 2HD LYS 52 HD1 LYS 52 8.774 7.091 7.029 432 1HE LYS 52 HE2 LYS 52 10.777 6.719 8.172 433 2HE LYS 52 HE1 LYS 52 9.775 5.435 8.877 434 1HZ LYS 52 HZ1 LYS 52 10.621 3.861 7.370 435 2HZ LYS 52 HZ2 LYS 52 11.985 4.713 7.917 436 3HZ LYS 52 HZ3 LYS 52 11.332 5.044 6.384 437 HA PRO 53 HA PRO 53 1.886 5.112 5.232 438 1HB PRO 53 HB2 PRO 53 1.119 7.283 6.709 439 2HB PRO 53 HB1 PRO 53 1.082 5.621 7.331 440 1HG PRO 53 HG2 PRO 53 3.098 7.764 7.787 441 2HG PRO 53 HG1 PRO 53 2.447 6.567 8.918 442 1HD PRO 53 HD2 PRO 53 4.887 6.332 7.732 443 2HD PRO 53 HD1 PRO 53 3.907 4.937 8.240 444 H GLY 54 HN GLY 54 4.300 7.694 5.554 445 1HA GLY 54 HA2 GLY 54 2.944 9.369 3.532 446 2HA GLY 54 HA1 GLY 54 4.453 9.736 4.347 447 H ASN 55 HN ASN 55 3.990 6.629 2.714 448 HA ASN 55 HA ASN 55 5.205 5.683 0.940 449 1HB ASN 55 HB2 ASN 55 4.590 6.752 -1.017 450 2HB ASN 55 HB1 ASN 55 3.569 7.630 0.104 451 1HD2 ASN 55 HD21 ASN 55 3.792 9.884 0.109 452 2HD2 ASN 55 HD22 ASN 55 5.065 10.728 -0.643 453 HA PRO 56 HA PRO 56 9.500 6.647 1.084 454 1HB PRO 56 HB2 PRO 56 10.426 6.898 -1.485 455 2HB PRO 56 HB1 PRO 56 10.004 5.344 -0.741 456 1HG PRO 56 HG2 PRO 56 8.432 7.032 -2.621 457 2HG PRO 56 HG1 PRO 56 8.593 5.271 -2.555 458 1HD PRO 56 HD2 PRO 56 6.424 6.588 -1.621 459 2HD PRO 56 HD1 PRO 56 6.984 5.051 -0.933 460 HA PRO 57 HA PRO 57 9.945 11.026 0.987 461 1HB PRO 57 HB2 PRO 57 12.650 11.268 1.343 462 2HB PRO 57 HB1 PRO 57 11.532 10.830 2.650 463 1HG PRO 57 HG2 PRO 57 13.312 9.092 1.020 464 2HG PRO 57 HG1 PRO 57 12.907 8.998 2.741 465 1HD PRO 57 HD2 PRO 57 11.795 7.383 0.843 466 2HD PRO 57 HD1 PRO 57 10.976 7.834 2.358 Start of MODEL 13 1 2H ASP 1 HN2 ASP 1 18.669 0.793 -4.988 2 H ASP 1 H ASP 1 18.243 -0.794 -5.419 3 HA ASP 1 HA ASP 1 17.217 1.736 -6.585 4 1HB ASP 1 HB2 ASP 1 16.098 0.239 -8.222 5 2HB ASP 1 HB1 ASP 1 17.853 0.133 -8.343 6 H SER 2 HN SER 2 17.035 0.756 -3.848 7 HA SER 2 HA SER 2 14.583 -0.705 -3.415 8 1HB SER 2 HB2 SER 2 14.929 0.064 -1.087 9 2HB SER 2 HB1 SER 2 16.436 -0.509 -1.795 10 HG SER 2 HG SER 2 17.205 1.461 -1.759 11 H LEU 3 HN LEU 3 15.280 2.662 -4.109 12 HA LEU 3 HA LEU 3 12.948 3.909 -3.012 13 1HB LEU 3 HB2 LEU 3 14.938 5.081 -3.914 14 2HB LEU 3 HB1 LEU 3 14.533 4.528 -5.531 15 HG LEU 3 HG LEU 3 12.348 5.717 -5.363 16 1HD1 LEU 3 HD11 LEU 3 13.436 6.285 -2.639 17 2HD1 LEU 3 HD12 LEU 3 11.776 5.961 -3.140 18 3HD1 LEU 3 HD13 LEU 3 12.489 7.548 -3.426 19 1HD2 LEU 3 HD21 LEU 3 13.354 8.067 -5.368 20 2HD2 LEU 3 HD22 LEU 3 14.092 6.917 -6.485 21 3HD2 LEU 3 HD23 LEU 3 14.894 7.308 -4.963 22 H VAL 4 HN VAL 4 13.577 2.411 -6.164 23 HA VAL 4 HA VAL 4 11.125 2.949 -7.485 24 HB VAL 4 HB VAL 4 12.942 0.508 -7.535 25 1HG1 VAL 4 HG11 VAL 4 12.038 0.121 -9.804 26 2HG1 VAL 4 HG12 VAL 4 10.912 1.460 -9.581 27 3HG1 VAL 4 HG13 VAL 4 10.769 0.011 -8.584 28 1HG2 VAL 4 HG21 VAL 4 12.890 3.090 -9.120 29 2HG2 VAL 4 HG22 VAL 4 13.847 1.684 -9.584 30 3HG2 VAL 4 HG23 VAL 4 14.177 2.510 -8.062 31 H LEU 5 HN LEU 5 11.995 0.261 -5.312 32 HA LEU 5 HA LEU 5 9.523 -1.167 -5.416 33 1HB LEU 5 HB2 LEU 5 11.663 -0.857 -3.289 34 2HB LEU 5 HB1 LEU 5 10.384 -2.073 -3.219 35 HG LEU 5 HG LEU 5 12.292 -1.767 -5.552 36 1HD1 LEU 5 HD11 LEU 5 13.625 -2.468 -3.691 37 2HD1 LEU 5 HD12 LEU 5 13.261 -3.926 -4.616 38 3HD1 LEU 5 HD13 LEU 5 12.375 -3.579 -3.131 39 1HD2 LEU 5 HD21 LEU 5 11.422 -4.183 -5.898 40 2HD2 LEU 5 HD22 LEU 5 10.333 -2.856 -6.302 41 3HD2 LEU 5 HD23 LEU 5 10.132 -3.730 -4.783 42 H TYR 6 HN TYR 6 10.604 1.488 -3.287 43 HA TYR 6 HA TYR 6 8.390 1.530 -1.495 44 1HB TYR 6 HB2 TYR 6 10.469 3.433 -2.491 45 2HB TYR 6 HB1 TYR 6 9.137 4.098 -1.557 46 HD1 TYR 6 HD1 TYR 6 8.493 2.527 0.572 47 HD2 TYR 6 HD2 TYR 6 12.349 2.814 -1.292 48 HE1 TYR 6 HE1 TYR 6 9.559 1.711 2.658 49 HE2 TYR 6 HE2 TYR 6 13.419 1.998 0.794 50 HH TYR 6 HH TYR 6 12.135 2.056 3.663 51 H ASN 7 HN ASN 7 8.849 3.098 -4.652 52 HA ASN 7 HA ASN 7 6.482 4.684 -4.683 53 1HB ASN 7 HB2 ASN 7 8.019 3.276 -6.889 54 2HB ASN 7 HB1 ASN 7 6.834 4.554 -7.156 55 1HD2 ASN 7 HD21 ASN 7 7.394 6.402 -5.189 56 2HD2 ASN 7 HD22 ASN 7 8.987 6.971 -5.333 57 H ARG 8 HN ARG 8 7.029 1.292 -5.652 58 HA ARG 8 HA ARG 8 4.485 0.776 -6.812 59 1HB ARG 8 HB2 ARG 8 6.494 -0.945 -5.341 60 2HB ARG 8 HB1 ARG 8 5.099 -1.612 -6.191 61 1HG ARG 8 HG2 ARG 8 5.863 -0.436 -8.267 62 2HG ARG 8 HG1 ARG 8 7.314 0.067 -7.401 63 1HD ARG 8 HD2 ARG 8 7.750 -2.407 -6.933 64 2HD ARG 8 HD1 ARG 8 6.473 -2.754 -8.117 65 HE ARG 8 HE ARG 8 9.087 -1.513 -8.718 66 1HH1 ARG 8 HH21 ARG 8 7.746 -3.781 -10.243 67 2HH1 ARG 8 HH22 ARG 8 7.249 -2.965 -11.687 68 1HH2 ARG 8 HH11 ARG 8 7.625 0.207 -10.343 69 2HH2 ARG 8 HH12 ARG 8 7.176 -0.708 -11.743 70 H VAL 9 HN VAL 9 5.534 0.208 -3.403 71 HA VAL 9 HA VAL 9 2.957 -0.714 -2.529 72 HB VAL 9 HB VAL 9 3.903 -0.270 -0.259 73 1HG1 VAL 9 HG11 VAL 9 6.095 -1.432 -1.954 74 2HG1 VAL 9 HG12 VAL 9 4.537 -2.248 -1.830 75 3HG1 VAL 9 HG13 VAL 9 5.506 -1.971 -0.382 76 1HG2 VAL 9 HG21 VAL 9 6.117 0.669 0.000 77 2HG2 VAL 9 HG22 VAL 9 5.141 1.831 -0.884 78 3HG2 VAL 9 HG23 VAL 9 6.307 0.826 -1.741 79 H ALA 10 HN ALA 10 4.460 2.510 -2.593 80 HA ALA 10 HA ALA 10 2.439 3.960 -1.194 81 1HB ALA 10 HB1 ALA 10 3.374 5.871 -2.617 82 2HB ALA 10 HB2 ALA 10 4.401 4.662 -3.386 83 3HB ALA 10 HB3 ALA 10 4.550 4.977 -1.658 84 H VAL 11 HN VAL 11 2.730 3.057 -4.617 85 HA VAL 11 HA VAL 11 0.619 4.641 -5.665 86 HB VAL 11 HB VAL 11 1.740 1.927 -6.433 87 1HG1 VAL 11 HG11 VAL 11 -0.194 3.751 -7.850 88 2HG1 VAL 11 HG12 VAL 11 -0.274 2.001 -7.647 89 3HG1 VAL 11 HG13 VAL 11 0.893 2.708 -8.765 90 1HG2 VAL 11 HG21 VAL 11 2.344 4.327 -8.044 91 2HG2 VAL 11 HG22 VAL 11 3.422 3.060 -7.459 92 3HG2 VAL 11 HG23 VAL 11 2.968 4.388 -6.394 93 H GLN 12 HN GLN 12 0.450 1.207 -4.513 94 HA GLN 12 HA GLN 12 -2.379 0.923 -4.916 95 1HB GLN 12 HB2 GLN 12 -0.280 -0.366 -3.199 96 2HB GLN 12 HB1 GLN 12 -1.971 -0.814 -2.977 97 1HG GLN 12 HG2 GLN 12 -1.193 -2.360 -4.585 98 2HG GLN 12 HG1 GLN 12 -2.012 -1.130 -5.547 99 1HE2 GLN 12 HE21 GLN 12 -0.784 -0.107 -7.147 100 2HE2 GLN 12 HE22 GLN 12 0.904 -0.216 -7.281 101 H GLY 13 HN GLY 13 -0.545 1.688 -1.960 102 1HA GLY 13 HA2 GLY 13 -2.439 2.025 -0.022 103 2HA GLY 13 HA1 GLY 13 -1.089 3.166 -0.187 104 H ASP 14 HN ASP 14 -1.588 4.531 -2.378 105 HA ASP 14 HA ASP 14 -3.525 6.486 -1.601 106 1HB ASP 14 HB2 ASP 14 -2.032 5.881 -4.167 107 2HB ASP 14 HB1 ASP 14 -2.996 7.343 -3.936 108 H VAL 15 HN VAL 15 -3.704 3.803 -3.967 109 HA VAL 15 HA VAL 15 -6.131 4.554 -5.259 110 HB VAL 15 HB VAL 15 -4.854 1.867 -4.638 111 1HG1 VAL 15 HG11 VAL 15 -7.072 1.242 -5.149 112 2HG1 VAL 15 HG12 VAL 15 -6.261 1.170 -6.714 113 3HG1 VAL 15 HG13 VAL 15 -7.271 2.557 -6.306 114 1HG2 VAL 15 HG21 VAL 15 -4.149 2.039 -7.019 115 2HG2 VAL 15 HG22 VAL 15 -3.516 3.361 -6.039 116 3HG2 VAL 15 HG23 VAL 15 -4.895 3.635 -7.101 117 H VAL 16 HN VAL 16 -5.602 2.658 -2.262 118 HA VAL 16 HA VAL 16 -8.341 1.974 -1.759 119 HB VAL 16 HB VAL 16 -5.928 2.484 0.015 120 1HG1 VAL 16 HG11 VAL 16 -8.592 1.235 0.777 121 2HG1 VAL 16 HG12 VAL 16 -7.985 2.786 1.357 122 3HG1 VAL 16 HG13 VAL 16 -7.157 1.294 1.801 123 1HG2 VAL 16 HG21 VAL 16 -5.869 0.583 -1.612 124 2HG2 VAL 16 HG22 VAL 16 -7.313 -0.073 -0.841 125 3HG2 VAL 16 HG23 VAL 16 -5.807 0.051 0.068 126 H ARG 17 HN ARG 17 -6.388 4.776 -0.682 127 HA ARG 17 HA ARG 17 -8.434 6.153 0.753 128 1HB ARG 17 HB2 ARG 17 -6.025 6.680 0.847 129 2HB ARG 17 HB1 ARG 17 -6.059 7.197 -0.840 130 1HG ARG 17 HG2 ARG 17 -7.678 8.972 -0.261 131 2HG ARG 17 HG1 ARG 17 -7.642 8.459 1.424 132 1HD ARG 17 HD2 ARG 17 -5.214 8.985 1.524 133 2HD ARG 17 HD1 ARG 17 -5.286 9.544 -0.160 134 HE ARG 17 HE ARG 17 -7.308 10.981 0.922 135 1HH1 ARG 17 HH11 ARG 17 -5.640 10.220 3.495 136 2HH1 ARG 17 HH12 ARG 17 -4.822 11.726 3.744 137 1HH2 ARG 17 HH21 ARG 17 -5.601 12.976 0.610 138 2HH2 ARG 17 HH22 ARG 17 -4.801 13.283 2.115 139 H GLU 18 HN GLU 18 -7.403 6.481 -2.661 140 HA GLU 18 HA GLU 18 -9.253 8.515 -3.394 141 1HB GLU 18 HB2 GLU 18 -7.894 6.324 -4.938 142 2HB GLU 18 HB1 GLU 18 -8.762 7.646 -5.706 143 1HG GLU 18 HG2 GLU 18 -7.278 9.268 -4.545 144 2HG GLU 18 HG1 GLU 18 -6.393 7.922 -3.832 145 H LEU 19 HN LEU 19 -9.562 4.958 -3.582 146 HA LEU 19 HA LEU 19 -12.105 4.901 -4.884 147 1HB LEU 19 HB2 LEU 19 -10.637 3.039 -3.040 148 2HB LEU 19 HB1 LEU 19 -12.161 2.588 -3.795 149 HG LEU 19 HG LEU 19 -9.786 3.576 -5.390 150 1HD1 LEU 19 HD11 LEU 19 -9.329 1.451 -4.037 151 2HD1 LEU 19 HD12 LEU 19 -9.148 1.305 -5.786 152 3HD1 LEU 19 HD13 LEU 19 -10.598 0.688 -4.995 153 1HD2 LEU 19 HD21 LEU 19 -12.306 3.464 -6.193 154 2HD2 LEU 19 HD22 LEU 19 -11.968 1.742 -6.334 155 3HD2 LEU 19 HD23 LEU 19 -11.019 2.905 -7.259 156 H LYS 20 HN LYS 20 -11.251 4.983 -1.446 157 HA LYS 20 HA LYS 20 -13.895 4.647 -0.422 158 1HB LYS 20 HB2 LYS 20 -11.563 4.435 0.699 159 2HB LYS 20 HB1 LYS 20 -11.679 6.180 0.931 160 1HG LYS 20 HG2 LYS 20 -12.575 5.226 2.922 161 2HG LYS 20 HG1 LYS 20 -13.978 5.731 1.978 162 1HD LYS 20 HD2 LYS 20 -14.112 3.385 1.054 163 2HD LYS 20 HD1 LYS 20 -12.837 2.929 2.183 164 1HE LYS 20 HE2 LYS 20 -15.377 4.273 3.133 165 2HE LYS 20 HE1 LYS 20 -15.241 2.510 2.980 166 1HZ LYS 20 HZ1 LYS 20 -14.556 3.260 5.188 167 2HZ LYS 20 HZ2 LYS 20 -13.368 4.255 4.492 168 3HZ LYS 20 HZ3 LYS 20 -13.258 2.566 4.347 169 H ALA 21 HN ALA 21 -11.972 7.512 -1.233 170 HA ALA 21 HA ALA 21 -13.796 9.515 -0.299 171 1HB ALA 21 HB1 ALA 21 -11.468 9.258 -2.089 172 2HB ALA 21 HB2 ALA 21 -11.855 10.538 -0.940 173 3HB ALA 21 HB3 ALA 21 -12.566 10.558 -2.554 174 H LYS 22 HN LYS 22 -13.717 7.448 -3.135 175 HA LYS 22 HA LYS 22 -15.840 8.916 -4.557 176 1HB LYS 22 HB2 LYS 22 -14.354 6.314 -4.960 177 2HB LYS 22 HB1 LYS 22 -15.599 6.884 -6.071 178 1HG LYS 22 HG2 LYS 22 -14.332 8.918 -6.515 179 2HG LYS 22 HG1 LYS 22 -13.121 8.461 -5.314 180 1HD LYS 22 HD2 LYS 22 -12.263 7.857 -7.496 181 2HD LYS 22 HD1 LYS 22 -12.700 6.369 -6.654 182 1HE LYS 22 HE2 LYS 22 -14.837 6.271 -7.859 183 2HE LYS 22 HE1 LYS 22 -14.467 7.807 -8.669 184 1HZ LYS 22 HZ1 LYS 22 -13.800 5.955 -10.059 185 2HZ LYS 22 HZ2 LYS 22 -12.842 5.321 -8.806 186 3HZ LYS 22 HZ3 LYS 22 -12.431 6.803 -9.529 187 H LYS 23 HN LYS 23 -16.041 7.156 -1.796 188 HA LYS 23 HA LYS 23 -17.780 5.966 -0.740 189 1HB LYS 23 HB2 LYS 23 -19.248 7.106 -3.116 190 2HB LYS 23 HB1 LYS 23 -20.028 6.431 -1.694 191 1HG LYS 23 HG2 LYS 23 -18.911 8.121 -0.280 192 2HG LYS 23 HG1 LYS 23 -18.147 8.809 -1.715 193 1HD LYS 23 HD2 LYS 23 -20.358 9.305 -2.673 194 2HD LYS 23 HD1 LYS 23 -21.137 8.608 -1.251 195 1HE LYS 23 HE2 LYS 23 -20.212 10.325 0.185 196 2HE LYS 23 HE1 LYS 23 -19.205 10.951 -1.137 197 1HZ LYS 23 HZ1 LYS 23 -21.294 11.264 -2.421 198 2HZ LYS 23 HZ2 LYS 23 -21.181 12.263 -1.050 199 3HZ LYS 23 HZ3 LYS 23 -22.172 10.882 -1.021 200 H ALA 24 HN ALA 24 -16.161 4.681 -2.931 201 HA ALA 24 HA ALA 24 -17.681 2.952 -4.579 202 1HB ALA 24 HB1 ALA 24 -15.627 2.006 -4.998 203 2HB ALA 24 HB2 ALA 24 -15.213 1.902 -3.288 204 3HB ALA 24 HB3 ALA 24 -15.059 3.438 -4.140 205 HA PRO 25 HA PRO 25 -19.444 -0.049 -1.876 206 1HB PRO 25 HB2 PRO 25 -19.031 -2.401 -3.223 207 2HB PRO 25 HB1 PRO 25 -20.230 -1.195 -3.732 208 1HG PRO 25 HG2 PRO 25 -17.478 -1.679 -4.771 209 2HG PRO 25 HG1 PRO 25 -18.972 -1.329 -5.658 210 1HD PRO 25 HD2 PRO 25 -17.096 0.554 -5.182 211 2HD PRO 25 HD1 PRO 25 -18.832 0.936 -5.268 212 H LYS 26 HN LYS 26 -18.876 -1.999 -0.544 213 HA LYS 26 HA LYS 26 -16.350 -1.792 0.737 214 1HB LYS 26 HB2 LYS 26 -18.413 -3.999 0.539 215 2HB LYS 26 HB1 LYS 26 -17.047 -4.062 1.654 216 1HG LYS 26 HG2 LYS 26 -17.802 -1.953 2.695 217 2HG LYS 26 HG1 LYS 26 -19.173 -1.901 1.582 218 1HD LYS 26 HD2 LYS 26 -19.968 -4.067 2.449 219 2HD LYS 26 HD1 LYS 26 -18.604 -4.124 3.564 220 1HE LYS 26 HE2 LYS 26 -19.410 -2.214 4.787 221 2HE LYS 26 HE1 LYS 26 -20.639 -1.870 3.553 222 1HZ LYS 26 HZ1 LYS 26 -20.489 -4.481 4.950 223 2HZ LYS 26 HZ2 LYS 26 -21.776 -3.851 4.035 224 3HZ LYS 26 HZ3 LYS 26 -21.409 -3.193 5.558 225 H GLU 27 HN GLU 27 -17.416 -3.854 -1.930 226 HA GLU 27 HA GLU 27 -15.317 -5.742 -2.020 227 1HB GLU 27 HB2 GLU 27 -16.980 -4.391 -4.164 228 2HB GLU 27 HB1 GLU 27 -15.941 -5.781 -4.488 229 1HG GLU 27 HG2 GLU 27 -17.166 -7.157 -2.940 230 2HG GLU 27 HG1 GLU 27 -18.076 -5.767 -2.349 231 H ASP 28 HN ASP 28 -15.464 -2.457 -3.388 232 HA ASP 28 HA ASP 28 -12.901 -2.597 -4.733 233 1HB ASP 28 HB2 ASP 28 -14.899 -0.498 -3.937 234 2HB ASP 28 HB1 ASP 28 -13.333 0.003 -4.586 235 H VAL 29 HN VAL 29 -13.921 -1.120 -1.617 236 HA VAL 29 HA VAL 29 -11.285 -0.161 -0.925 237 HB VAL 29 HB VAL 29 -13.739 -0.804 0.744 238 1HG1 VAL 29 HG11 VAL 29 -11.507 1.124 1.423 239 2HG1 VAL 29 HG12 VAL 29 -11.506 -0.547 1.985 240 3HG1 VAL 29 HG13 VAL 29 -12.799 0.546 2.475 241 1HG2 VAL 29 HG21 VAL 29 -13.951 0.863 -1.174 242 2HG2 VAL 29 HG22 VAL 29 -12.787 1.870 -0.312 243 3HG2 VAL 29 HG23 VAL 29 -14.344 1.494 0.425 244 H ASP 30 HN ASP 30 -13.135 -3.018 0.222 245 HA ASP 30 HA ASP 30 -11.161 -4.061 1.975 246 1HB ASP 30 HB2 ASP 30 -13.392 -5.267 0.331 247 2HB ASP 30 HB1 ASP 30 -12.432 -6.244 1.443 248 H ALA 31 HN ALA 31 -11.783 -4.916 -1.444 249 HA ALA 31 HA ALA 31 -9.700 -6.839 -1.710 250 1HB ALA 31 HB1 ALA 31 -10.028 -6.367 -4.147 251 2HB ALA 31 HB2 ALA 31 -10.994 -4.958 -3.710 252 3HB ALA 31 HB3 ALA 31 -11.552 -6.576 -3.284 253 H ALA 32 HN ALA 32 -9.689 -3.334 -2.439 254 HA ALA 32 HA ALA 32 -6.954 -3.255 -3.353 255 1HB ALA 32 HB1 ALA 32 -8.763 -1.146 -2.116 256 2HB ALA 32 HB2 ALA 32 -8.619 -1.512 -3.835 257 3HB ALA 32 HB3 ALA 32 -7.259 -0.799 -2.968 258 H VAL 33 HN VAL 33 -8.434 -2.561 -0.166 259 HA VAL 33 HA VAL 33 -5.950 -1.907 1.137 260 HB VAL 33 HB VAL 33 -8.553 -1.612 1.726 261 1HG1 VAL 33 HG11 VAL 33 -7.800 -4.138 3.212 262 2HG1 VAL 33 HG12 VAL 33 -9.219 -3.849 2.207 263 3HG1 VAL 33 HG13 VAL 33 -9.065 -3.044 3.761 264 1HG2 VAL 33 HG21 VAL 33 -6.738 -0.467 2.856 265 2HG2 VAL 33 HG22 VAL 33 -6.317 -1.936 3.736 266 3HG2 VAL 33 HG23 VAL 33 -7.844 -1.118 4.065 267 H LYS 34 HN LYS 34 -7.754 -4.947 0.666 268 HA LYS 34 HA LYS 34 -6.065 -6.644 2.262 269 1HB LYS 34 HB2 LYS 34 -8.301 -7.257 1.364 270 2HB LYS 34 HB1 LYS 34 -7.650 -7.204 -0.275 271 1HG LYS 34 HG2 LYS 34 -6.115 -9.024 0.221 272 2HG LYS 34 HG1 LYS 34 -6.609 -9.026 1.915 273 1HD LYS 34 HD2 LYS 34 -8.946 -9.563 1.172 274 2HD LYS 34 HD1 LYS 34 -8.341 -9.712 -0.479 275 1HE LYS 34 HE2 LYS 34 -8.191 -11.935 0.214 276 2HE LYS 34 HE1 LYS 34 -6.589 -11.358 0.714 277 1HZ LYS 34 HZ1 LYS 34 -7.499 -10.795 2.879 278 2HZ LYS 34 HZ2 LYS 34 -7.737 -12.445 2.554 279 3HZ LYS 34 HZ3 LYS 34 -9.031 -11.353 2.411 280 H GLN 35 HN GLN 35 -5.980 -5.585 -1.118 281 HA GLN 35 HA GLN 35 -3.645 -7.068 -1.936 282 1HB GLN 35 HB2 GLN 35 -5.468 -5.775 -3.302 283 2HB GLN 35 HB1 GLN 35 -4.490 -4.349 -2.960 284 1HG GLN 35 HG2 GLN 35 -2.516 -5.436 -3.951 285 2HG GLN 35 HG1 GLN 35 -3.479 -6.870 -4.303 286 1HE2 GLN 35 HE21 GLN 35 -2.178 -5.334 -6.366 287 2HE2 GLN 35 HE22 GLN 35 -3.382 -4.634 -7.335 288 H LEU 36 HN LEU 36 -4.189 -3.816 -0.663 289 HA LEU 36 HA LEU 36 -1.525 -2.806 -0.748 290 1HB LEU 36 HB2 LEU 36 -3.617 -1.527 -0.384 291 2HB LEU 36 HB1 LEU 36 -3.813 -2.290 1.185 292 HG LEU 36 HG LEU 36 -2.840 0.067 1.166 293 1HD1 LEU 36 HD11 LEU 36 -1.885 -0.374 3.173 294 2HD1 LEU 36 HD12 LEU 36 -0.802 -1.596 2.507 295 3HD1 LEU 36 HD13 LEU 36 -2.475 -2.010 2.882 296 1HD2 LEU 36 HD21 LEU 36 -0.212 -1.251 0.500 297 2HD2 LEU 36 HD22 LEU 36 -0.630 0.462 0.467 298 3HD2 LEU 36 HD23 LEU 36 -1.232 -0.618 -0.791 299 H LEU 37 HN LEU 37 -3.247 -4.666 1.749 300 HA LEU 37 HA LEU 37 -1.244 -4.623 3.771 301 1HB LEU 37 HB2 LEU 37 -3.400 -6.559 2.982 302 2HB LEU 37 HB1 LEU 37 -2.440 -6.781 4.442 303 HG LEU 37 HG LEU 37 -3.929 -4.215 3.829 304 1HD1 LEU 37 HD11 LEU 37 -4.853 -6.769 5.101 305 2HD1 LEU 37 HD12 LEU 37 -5.742 -5.650 4.068 306 3HD1 LEU 37 HD13 LEU 37 -5.434 -5.238 5.754 307 1HD2 LEU 37 HD21 LEU 37 -2.107 -4.025 5.449 308 2HD2 LEU 37 HD22 LEU 37 -2.720 -5.417 6.342 309 3HD2 LEU 37 HD23 LEU 37 -3.649 -3.919 6.297 310 H SER 38 HN SER 38 -1.734 -6.771 1.006 311 HA SER 38 HA SER 38 0.307 -8.690 1.561 312 1HB SER 38 HB2 SER 38 -1.458 -8.895 -0.166 313 2HB SER 38 HB1 SER 38 -0.728 -7.574 -1.073 314 HG SER 38 HG SER 38 -0.192 -9.999 -1.463 315 H LEU 39 HN LEU 39 0.423 -5.498 0.001 316 HA LEU 39 HA LEU 39 3.092 -5.584 -1.004 317 1HB LEU 39 HB2 LEU 39 1.485 -3.268 0.136 318 2HB LEU 39 HB1 LEU 39 2.887 -3.112 -0.921 319 HG LEU 39 HG LEU 39 0.258 -4.455 -1.643 320 1HD1 LEU 39 HD11 LEU 39 -0.295 -2.555 -2.815 321 2HD1 LEU 39 HD12 LEU 39 1.386 -2.081 -3.056 322 3HD1 LEU 39 HD13 LEU 39 0.612 -1.827 -1.491 323 1HD2 LEU 39 HD21 LEU 39 1.383 -4.349 -3.978 324 2HD2 LEU 39 HD22 LEU 39 1.928 -5.609 -2.870 325 3HD2 LEU 39 HD23 LEU 39 2.894 -4.149 -3.089 326 H LYS 40 HN LYS 40 1.890 -4.308 2.130 327 HA LYS 40 HA LYS 40 4.446 -3.669 3.243 328 1HB LYS 40 HB2 LYS 40 1.784 -4.471 4.452 329 2HB LYS 40 HB1 LYS 40 3.136 -3.874 5.409 330 1HG LYS 40 HG2 LYS 40 3.168 -1.813 3.979 331 2HG LYS 40 HG1 LYS 40 1.705 -2.399 3.184 332 1HD LYS 40 HD2 LYS 40 1.928 -1.980 6.177 333 2HD LYS 40 HD1 LYS 40 1.277 -0.773 5.069 334 1HE LYS 40 HE2 LYS 40 -0.489 -2.321 4.360 335 2HE LYS 40 HE1 LYS 40 0.189 -3.594 5.395 336 1HZ LYS 40 HZ1 LYS 40 -1.646 -2.216 6.413 337 2HZ LYS 40 HZ2 LYS 40 -0.552 -0.917 6.435 338 3HZ LYS 40 HZ3 LYS 40 -0.219 -2.329 7.321 339 H ALA 41 HN ALA 41 2.510 -6.640 3.285 340 HA ALA 41 HA ALA 41 4.043 -8.178 5.120 341 1HB ALA 41 HB1 ALA 41 2.772 -9.980 4.278 342 2HB ALA 41 HB2 ALA 41 2.737 -9.311 2.647 343 3HB ALA 41 HB3 ALA 41 1.760 -8.582 3.921 344 H GLU 42 HN GLU 42 4.363 -7.902 1.542 345 HA GLU 42 HA GLU 42 6.540 -9.745 1.272 346 1HB GLU 42 HB2 GLU 42 5.600 -7.316 -0.276 347 2HB GLU 42 HB1 GLU 42 6.917 -8.347 -0.847 348 1HG GLU 42 HG2 GLU 42 5.424 -10.310 -0.768 349 2HG GLU 42 HG1 GLU 42 4.107 -9.290 -0.192 350 H TYR 43 HN TYR 43 6.549 -6.191 1.640 351 HA TYR 43 HA TYR 43 9.386 -5.828 1.744 352 1HB TYR 43 HB2 TYR 43 7.142 -4.259 1.746 353 2HB TYR 43 HB1 TYR 43 7.673 -4.087 3.419 354 HD1 TYR 43 HD1 TYR 43 7.916 -2.615 0.323 355 HD2 TYR 43 HD2 TYR 43 10.437 -3.933 3.540 356 HE1 TYR 43 HE1 TYR 43 9.676 -1.039 -0.416 357 HE2 TYR 43 HE2 TYR 43 12.201 -2.357 2.805 358 HH TYR 43 HH TYR 43 12.666 -0.586 1.438 359 H LYS 44 HN LYS 44 6.989 -6.533 4.264 360 HA LYS 44 HA LYS 44 8.608 -6.170 6.562 361 1HB LYS 44 HB2 LYS 44 6.155 -6.452 6.558 362 2HB LYS 44 HB1 LYS 44 6.343 -8.127 6.038 363 1HG LYS 44 HG2 LYS 44 7.564 -8.649 8.113 364 2HG LYS 44 HG1 LYS 44 7.423 -6.970 8.627 365 1HD LYS 44 HD2 LYS 44 5.646 -8.026 9.753 366 2HD LYS 44 HD1 LYS 44 4.866 -7.317 8.340 367 1HE LYS 44 HE2 LYS 44 4.105 -9.640 8.615 368 2HE LYS 44 HE1 LYS 44 5.112 -9.528 7.160 369 1HZ LYS 44 HZ1 LYS 44 6.894 -10.517 8.195 370 2HZ LYS 44 HZ2 LYS 44 5.613 -11.344 8.941 371 3HZ LYS 44 HZ3 LYS 44 6.396 -10.079 9.758 372 H GLU 45 HN GLU 45 8.237 -9.009 4.455 373 HA GLU 45 HA GLU 45 9.605 -10.935 6.020 374 1HB GLU 45 HB2 GLU 45 9.355 -10.485 3.036 375 2HB GLU 45 HB1 GLU 45 10.053 -11.948 3.729 376 1HG GLU 45 HG2 GLU 45 7.966 -12.371 4.967 377 2HG GLU 45 HG1 GLU 45 7.259 -10.905 4.290 378 H LYS 46 HN LYS 46 10.959 -8.506 3.743 379 HA LYS 46 HA LYS 46 13.646 -9.466 3.737 380 1HB LYS 46 HB2 LYS 46 12.414 -6.717 3.434 381 2HB LYS 46 HB1 LYS 46 14.119 -7.040 3.129 382 1HG LYS 46 HG2 LYS 46 13.499 -8.731 1.439 383 2HG LYS 46 HG1 LYS 46 11.792 -8.402 1.740 384 1HD LYS 46 HD2 LYS 46 12.114 -6.057 1.045 385 2HD LYS 46 HD1 LYS 46 13.820 -6.377 0.740 386 1HE LYS 46 HE2 LYS 46 11.653 -7.993 -0.627 387 2HE LYS 46 HE1 LYS 46 12.254 -6.469 -1.310 388 1HZ LYS 46 HZ1 LYS 46 14.485 -7.305 -1.253 389 2HZ LYS 46 HZ2 LYS 46 13.522 -8.438 -2.073 390 3HZ LYS 46 HZ3 LYS 46 13.996 -8.726 -0.469 391 H THR 47 HN THR 47 12.269 -6.814 5.745 392 HA THR 47 HA THR 47 14.009 -7.599 8.005 393 HB THR 47 HB THR 47 14.258 -4.900 6.643 394 HG1 THR 47 HG1 THR 47 16.085 -5.664 5.776 395 1HG2 THR 47 HG21 THR 47 14.867 -4.469 8.834 396 2HG2 THR 47 HG22 THR 47 16.410 -5.028 8.188 397 3HG2 THR 47 HG23 THR 47 15.396 -6.126 9.125 398 H GLY 48 HN GLY 48 11.020 -6.853 7.179 399 1HA GLY 48 HA2 GLY 48 9.188 -6.074 8.419 400 2HA GLY 48 HA1 GLY 48 10.282 -5.825 9.774 401 H GLN 49 HN GLN 49 10.846 -4.334 6.626 402 HA GLN 49 HA GLN 49 10.835 -1.675 7.880 403 1HB GLN 49 HB2 GLN 49 11.284 -2.644 5.039 404 2HB GLN 49 HB1 GLN 49 11.598 -1.007 5.607 405 1HG GLN 49 HG2 GLN 49 12.894 -3.479 6.776 406 2HG GLN 49 HG1 GLN 49 13.646 -2.454 5.555 407 1HE2 GLN 49 HE21 GLN 49 13.501 -2.942 8.862 408 2HE2 GLN 49 HE22 GLN 49 13.957 -1.393 9.385 409 H GLU 50 HN GLU 50 8.679 -3.597 5.907 410 HA GLU 50 HA GLU 50 6.665 -3.125 4.785 411 1HB GLU 50 HB2 GLU 50 5.037 -2.296 6.355 412 2HB GLU 50 HB1 GLU 50 6.224 -3.253 7.234 413 1HG GLU 50 HG2 GLU 50 7.295 -1.299 8.108 414 2HG GLU 50 HG1 GLU 50 6.406 -0.239 7.012 415 H TYR 51 HN TYR 51 4.976 -1.118 4.472 416 HA TYR 51 HA TYR 51 6.283 0.690 2.657 417 1HB TYR 51 HB2 TYR 51 4.002 0.009 2.332 418 2HB TYR 51 HB1 TYR 51 3.545 0.554 3.941 419 HD1 TYR 51 HD1 TYR 51 2.078 2.360 3.773 420 HD2 TYR 51 HD2 TYR 51 5.475 2.180 1.156 421 HE1 TYR 51 HE1 TYR 51 1.483 4.583 2.848 422 HE2 TYR 51 HE2 TYR 51 4.875 4.400 0.229 423 HH TYR 51 HH TYR 51 2.106 5.745 0.319 424 H LYS 52 HN LYS 52 7.807 2.071 3.591 425 HA LYS 52 HA LYS 52 7.421 3.434 6.123 426 1HB LYS 52 HB2 LYS 52 9.290 3.688 3.760 427 2HB LYS 52 HB1 LYS 52 9.393 4.796 5.131 428 1HG LYS 52 HG2 LYS 52 9.362 1.804 5.532 429 2HG LYS 52 HG1 LYS 52 10.867 2.668 5.211 430 1HD LYS 52 HD2 LYS 52 9.749 4.236 7.170 431 2HD LYS 52 HD1 LYS 52 9.196 2.631 7.648 432 1HE LYS 52 HE2 LYS 52 12.077 2.956 6.869 433 2HE LYS 52 HE1 LYS 52 11.558 3.512 8.474 434 1HZ LYS 52 HZ1 LYS 52 11.097 0.821 7.299 435 2HZ LYS 52 HZ2 LYS 52 10.442 1.354 8.773 436 3HZ LYS 52 HZ3 LYS 52 12.124 1.189 8.598 437 HA PRO 53 HA PRO 53 4.955 6.786 4.731 438 1HB PRO 53 HB2 PRO 53 5.860 8.897 6.212 439 2HB PRO 53 HB1 PRO 53 4.872 7.587 6.887 440 1HG PRO 53 HG2 PRO 53 7.801 8.037 7.083 441 2HG PRO 53 HG1 PRO 53 6.676 7.373 8.273 442 1HD PRO 53 HD2 PRO 53 8.378 5.852 6.742 443 2HD PRO 53 HD1 PRO 53 6.866 5.252 7.463 444 H GLY 54 HN GLY 54 8.234 8.192 5.192 445 1HA GLY 54 HA2 GLY 54 7.921 9.814 2.773 446 2HA GLY 54 HA1 GLY 54 9.362 9.712 3.775 447 H ASN 55 HN ASN 55 8.470 6.547 3.154 448 HA ASN 55 HA ASN 55 9.475 4.895 1.802 449 1HB ASN 55 HB2 ASN 55 8.463 7.134 0.126 450 2HB ASN 55 HB1 ASN 55 9.485 5.951 -0.692 451 1HD2 ASN 55 HD21 ASN 55 7.330 5.459 -1.841 452 2HD2 ASN 55 HD22 ASN 55 6.303 4.321 -1.105 453 HA PRO 56 HA PRO 56 13.507 7.438 1.541 454 1HB PRO 56 HB2 PRO 56 14.738 6.514 3.815 455 2HB PRO 56 HB1 PRO 56 13.757 7.992 3.770 456 1HG PRO 56 HG2 PRO 56 13.033 5.271 4.732 457 2HG PRO 56 HG1 PRO 56 12.604 6.856 5.396 458 1HD PRO 56 HD2 PRO 56 10.895 5.354 3.911 459 2HD PRO 56 HD1 PRO 56 10.844 7.131 3.960 460 HA PRO 57 HA PRO 57 15.275 3.747 -0.129 461 1HB PRO 57 HB2 PRO 57 17.870 4.541 -0.484 462 2HB PRO 57 HB1 PRO 57 16.542 5.073 -1.534 463 1HG PRO 57 HG2 PRO 57 17.859 6.503 0.720 464 2HG PRO 57 HG1 PRO 57 17.305 7.126 -0.843 465 1HD PRO 57 HD2 PRO 57 15.908 7.464 1.463 466 2HD PRO 57 HD1 PRO 57 15.135 7.351 -0.135 Start of MODEL 14 1 2H ASP 1 HN2 ASP 1 19.144 2.215 -1.372 2 H ASP 1 H ASP 1 19.140 2.829 -2.956 3 HA ASP 1 HA ASP 1 17.506 3.720 -0.646 4 1HB ASP 1 HB2 ASP 1 18.301 5.117 -3.212 5 2HB ASP 1 HB1 ASP 1 16.857 5.573 -2.310 6 H SER 2 HN SER 2 15.950 2.121 -0.792 7 HA SER 2 HA SER 2 15.127 0.841 -3.256 8 1HB SER 2 HB2 SER 2 13.883 1.020 -0.492 9 2HB SER 2 HB1 SER 2 13.379 -0.109 -1.742 10 HG SER 2 HG SER 2 15.516 -0.197 -0.060 11 H LEU 3 HN LEU 3 14.879 3.332 -4.084 12 HA LEU 3 HA LEU 3 12.538 4.847 -3.479 13 1HB LEU 3 HB2 LEU 3 14.575 5.539 -4.789 14 2HB LEU 3 HB1 LEU 3 13.998 4.547 -6.123 15 HG LEU 3 HG LEU 3 11.799 5.905 -5.916 16 1HD1 LEU 3 HD11 LEU 3 12.309 8.260 -5.070 17 2HD1 LEU 3 HD12 LEU 3 13.757 7.581 -4.329 18 3HD1 LEU 3 HD13 LEU 3 12.166 7.015 -3.825 19 1HD2 LEU 3 HD21 LEU 3 14.129 7.593 -6.798 20 2HD2 LEU 3 HD22 LEU 3 12.566 7.365 -7.580 21 3HD2 LEU 3 HD23 LEU 3 13.780 6.086 -7.641 22 H VAL 4 HN VAL 4 13.141 2.512 -6.100 23 HA VAL 4 HA VAL 4 10.562 2.587 -7.294 24 HB VAL 4 HB VAL 4 12.725 0.467 -7.106 25 1HG1 VAL 4 HG11 VAL 4 10.743 -0.745 -7.711 26 2HG1 VAL 4 HG12 VAL 4 11.621 -0.449 -9.211 27 3HG1 VAL 4 HG13 VAL 4 10.216 0.536 -8.803 28 1HG2 VAL 4 HG21 VAL 4 13.564 2.343 -8.259 29 2HG2 VAL 4 HG22 VAL 4 12.011 2.680 -9.025 30 3HG2 VAL 4 HG23 VAL 4 12.976 1.303 -9.557 31 H LEU 5 HN LEU 5 11.824 0.288 -4.826 32 HA LEU 5 HA LEU 5 9.445 -1.256 -4.538 33 1HB LEU 5 HB2 LEU 5 11.702 -0.534 -2.654 34 2HB LEU 5 HB1 LEU 5 10.481 -1.742 -2.262 35 HG LEU 5 HG LEU 5 12.164 -1.847 -4.778 36 1HD1 LEU 5 HD11 LEU 5 13.264 -3.790 -3.420 37 2HD1 LEU 5 HD12 LEU 5 12.647 -2.930 -2.009 38 3HD1 LEU 5 HD13 LEU 5 13.781 -2.135 -3.100 39 1HD2 LEU 5 HD21 LEU 5 11.171 -4.367 -3.733 40 2HD2 LEU 5 HD22 LEU 5 10.875 -3.628 -5.305 41 3HD2 LEU 5 HD23 LEU 5 9.837 -3.231 -3.938 42 H TYR 6 HN TYR 6 10.513 1.657 -2.734 43 HA TYR 6 HA TYR 6 8.322 1.802 -0.915 44 1HB TYR 6 HB2 TYR 6 10.486 3.098 -0.874 45 2HB TYR 6 HB1 TYR 6 9.852 4.094 -2.186 46 HD1 TYR 6 HD1 TYR 6 9.791 3.434 1.379 47 HD2 TYR 6 HD2 TYR 6 7.723 5.416 -1.823 48 HE1 TYR 6 HE1 TYR 6 8.548 4.803 3.029 49 HE2 TYR 6 HE2 TYR 6 6.479 6.786 -0.170 50 HH TYR 6 HH TYR 6 7.308 6.805 3.209 51 H ASN 7 HN ASN 7 8.721 3.222 -4.169 52 HA ASN 7 HA ASN 7 6.284 4.687 -4.275 53 1HB ASN 7 HB2 ASN 7 8.014 3.321 -6.351 54 2HB ASN 7 HB1 ASN 7 6.644 4.347 -6.789 55 1HD2 ASN 7 HD21 ASN 7 9.514 4.920 -7.318 56 2HD2 ASN 7 HD22 ASN 7 9.860 6.373 -6.512 57 H ARG 8 HN ARG 8 6.965 1.285 -5.117 58 HA ARG 8 HA ARG 8 4.436 0.625 -6.253 59 1HB ARG 8 HB2 ARG 8 6.558 -0.711 -6.286 60 2HB ARG 8 HB1 ARG 8 6.287 -1.111 -4.590 61 1HG ARG 8 HG2 ARG 8 5.427 -2.934 -5.931 62 2HG ARG 8 HG1 ARG 8 4.054 -2.063 -5.251 63 1HD ARG 8 HD2 ARG 8 3.651 -0.907 -7.338 64 2HD ARG 8 HD1 ARG 8 5.156 -1.542 -8.032 65 HE ARG 8 HE ARG 8 2.857 -3.293 -7.236 66 1HH1 ARG 8 HH11 ARG 8 3.050 -2.656 -10.112 67 2HH1 ARG 8 HH12 ARG 8 4.021 -3.949 -10.733 68 1HH2 ARG 8 HH21 ARG 8 5.216 -4.900 -7.620 69 2HH2 ARG 8 HH22 ARG 8 5.246 -5.220 -9.322 70 H VAL 9 HN VAL 9 5.545 0.237 -2.847 71 HA VAL 9 HA VAL 9 2.963 -0.661 -1.905 72 HB VAL 9 HB VAL 9 3.995 -0.313 0.320 73 1HG1 VAL 9 HG11 VAL 9 6.322 -1.503 -0.468 74 2HG1 VAL 9 HG12 VAL 9 5.322 -1.740 -1.901 75 3HG1 VAL 9 HG13 VAL 9 4.777 -2.343 -0.337 76 1HG2 VAL 9 HG21 VAL 9 6.317 0.924 -1.196 77 2HG2 VAL 9 HG22 VAL 9 6.235 0.638 0.538 78 3HG2 VAL 9 HG23 VAL 9 5.177 1.831 -0.203 79 H ALA 10 HN ALA 10 4.607 2.473 -2.021 80 HA ALA 10 HA ALA 10 2.737 4.042 -0.554 81 1HB ALA 10 HB1 ALA 10 5.004 4.737 -1.147 82 2HB ALA 10 HB2 ALA 10 3.842 5.910 -1.769 83 3HB ALA 10 HB3 ALA 10 4.578 4.735 -2.859 84 H VAL 11 HN VAL 11 2.936 3.603 -4.129 85 HA VAL 11 HA VAL 11 0.759 5.297 -4.762 86 HB VAL 11 HB VAL 11 0.778 4.101 -6.922 87 1HG1 VAL 11 HG11 VAL 11 3.294 4.940 -5.545 88 2HG1 VAL 11 HG12 VAL 11 2.461 5.683 -6.910 89 3HG1 VAL 11 HG13 VAL 11 3.417 4.221 -7.149 90 1HG2 VAL 11 HG21 VAL 11 2.540 2.249 -7.118 91 2HG2 VAL 11 HG22 VAL 11 1.027 1.815 -6.324 92 3HG2 VAL 11 HG23 VAL 11 2.461 2.151 -5.364 93 H GLN 12 HN GLN 12 0.648 1.698 -4.304 94 HA GLN 12 HA GLN 12 -2.181 1.520 -4.765 95 1HB GLN 12 HB2 GLN 12 -0.202 -0.165 -3.206 96 2HB GLN 12 HB1 GLN 12 -1.876 -0.656 -3.476 97 1HG GLN 12 HG2 GLN 12 -1.481 -0.342 -5.951 98 2HG GLN 12 HG1 GLN 12 0.227 -0.102 -5.586 99 1HE2 GLN 12 HE21 GLN 12 0.317 -2.160 -7.052 100 2HE2 GLN 12 HE22 GLN 12 0.196 -3.657 -6.263 101 H GLY 13 HN GLY 13 -0.278 1.938 -1.787 102 1HA GLY 13 HA2 GLY 13 -2.117 1.806 0.251 103 2HA GLY 13 HA1 GLY 13 -0.868 3.066 0.210 104 H ASP 14 HN ASP 14 -1.528 4.726 -1.688 105 HA ASP 14 HA ASP 14 -3.621 6.351 -0.619 106 1HB ASP 14 HB2 ASP 14 -2.075 6.269 -3.217 107 2HB ASP 14 HB1 ASP 14 -3.244 7.546 -2.870 108 H VAL 15 HN VAL 15 -3.612 4.000 -3.296 109 HA VAL 15 HA VAL 15 -6.110 4.686 -4.485 110 HB VAL 15 HB VAL 15 -4.708 2.008 -4.173 111 1HG1 VAL 15 HG11 VAL 15 -6.924 1.525 -4.897 112 2HG1 VAL 15 HG12 VAL 15 -5.945 1.539 -6.364 113 3HG1 VAL 15 HG13 VAL 15 -6.958 2.927 -5.966 114 1HG2 VAL 15 HG21 VAL 15 -4.650 3.610 -6.683 115 2HG2 VAL 15 HG22 VAL 15 -3.396 2.596 -5.970 116 3HG2 VAL 15 HG23 VAL 15 -3.688 4.214 -5.333 117 H VAL 16 HN VAL 16 -5.359 2.549 -1.722 118 HA VAL 16 HA VAL 16 -7.994 1.500 -1.241 119 HB VAL 16 HB VAL 16 -5.616 2.201 0.522 120 1HG1 VAL 16 HG11 VAL 16 -8.152 0.686 1.211 121 2HG1 VAL 16 HG12 VAL 16 -7.526 2.132 2.000 122 3HG1 VAL 16 HG13 VAL 16 -6.673 0.600 2.169 123 1HG2 VAL 16 HG21 VAL 16 -6.662 -0.442 -0.530 124 2HG2 VAL 16 HG22 VAL 16 -5.174 -0.197 0.384 125 3HG2 VAL 16 HG23 VAL 16 -5.330 0.463 -1.245 126 H ARG 17 HN ARG 17 -6.308 4.350 0.116 127 HA ARG 17 HA ARG 17 -8.517 5.404 1.625 128 1HB ARG 17 HB2 ARG 17 -6.079 5.933 1.873 129 2HB ARG 17 HB1 ARG 17 -6.154 6.823 0.353 130 1HG ARG 17 HG2 ARG 17 -7.861 8.324 1.310 131 2HG ARG 17 HG1 ARG 17 -7.785 7.437 2.835 132 1HD ARG 17 HD2 ARG 17 -5.358 8.003 3.012 133 2HD ARG 17 HD1 ARG 17 -5.510 8.982 1.541 134 HE ARG 17 HE ARG 17 -7.578 9.825 3.261 135 1HH1 ARG 17 HH21 ARG 17 -4.733 9.099 4.685 136 2HH1 ARG 17 HH22 ARG 17 -4.244 10.720 5.046 137 1HH2 ARG 17 HH11 ARG 17 -6.702 12.179 3.081 138 2HH2 ARG 17 HH12 ARG 17 -5.361 12.465 4.139 139 H GLU 18 HN GLU 18 -7.337 6.047 -1.667 140 HA GLU 18 HA GLU 18 -9.035 8.226 -2.342 141 1HB GLU 18 HB2 GLU 18 -7.034 7.322 -3.572 142 2HB GLU 18 HB1 GLU 18 -8.037 5.988 -4.129 143 1HG GLU 18 HG2 GLU 18 -9.559 7.549 -5.240 144 2HG GLU 18 HG1 GLU 18 -8.635 8.919 -4.630 145 H LEU 19 HN LEU 19 -9.520 4.729 -2.909 146 HA LEU 19 HA LEU 19 -12.067 4.886 -4.162 147 1HB LEU 19 HB2 LEU 19 -10.736 2.815 -2.439 148 2HB LEU 19 HB1 LEU 19 -12.237 2.507 -3.306 149 HG LEU 19 HG LEU 19 -9.690 3.471 -4.635 150 1HD1 LEU 19 HD11 LEU 19 -9.009 1.315 -4.951 151 2HD1 LEU 19 HD12 LEU 19 -10.657 0.709 -5.104 152 3HD1 LEU 19 HD13 LEU 19 -9.971 1.005 -3.506 153 1HD2 LEU 19 HD21 LEU 19 -12.456 2.788 -5.516 154 2HD2 LEU 19 HD22 LEU 19 -11.136 2.272 -6.565 155 3HD2 LEU 19 HD23 LEU 19 -11.331 3.980 -6.168 156 H LYS 20 HN LYS 20 -11.211 4.648 -0.731 157 HA LYS 20 HA LYS 20 -13.909 4.471 0.261 158 1HB LYS 20 HB2 LYS 20 -11.551 3.919 1.323 159 2HB LYS 20 HB1 LYS 20 -11.605 5.612 1.818 160 1HG LYS 20 HG2 LYS 20 -12.571 4.354 3.618 161 2HG LYS 20 HG1 LYS 20 -13.913 5.135 2.779 162 1HD LYS 20 HD2 LYS 20 -14.475 3.110 1.612 163 2HD LYS 20 HD1 LYS 20 -12.992 2.322 2.148 164 1HE LYS 20 HE2 LYS 20 -13.763 2.365 4.476 165 2HE LYS 20 HE1 LYS 20 -15.235 3.229 3.988 166 1HZ LYS 20 HZ1 LYS 20 -15.836 1.416 2.558 167 2HZ LYS 20 HZ2 LYS 20 -15.549 0.793 4.112 168 3HZ LYS 20 HZ3 LYS 20 -14.386 0.602 2.888 169 H ALA 21 HN ALA 21 -11.590 7.066 -0.281 170 HA ALA 21 HA ALA 21 -13.045 9.241 0.855 171 1HB ALA 21 HB1 ALA 21 -10.911 9.878 0.287 172 2HB ALA 21 HB2 ALA 21 -11.669 10.335 -1.239 173 3HB ALA 21 HB3 ALA 21 -10.851 8.779 -1.091 174 H LYS 22 HN LYS 22 -13.287 7.560 -2.245 175 HA LYS 22 HA LYS 22 -15.316 9.516 -3.208 176 1HB LYS 22 HB2 LYS 22 -15.148 8.253 -5.311 177 2HB LYS 22 HB1 LYS 22 -13.546 8.687 -4.724 178 1HG LYS 22 HG2 LYS 22 -13.171 6.472 -3.885 179 2HG LYS 22 HG1 LYS 22 -14.844 6.006 -4.191 180 1HD LYS 22 HD2 LYS 22 -13.193 7.026 -6.475 181 2HD LYS 22 HD1 LYS 22 -12.931 5.373 -5.917 182 1HE LYS 22 HE2 LYS 22 -15.507 5.112 -6.075 183 2HE LYS 22 HE1 LYS 22 -15.451 6.586 -7.062 184 1HZ LYS 22 HZ1 LYS 22 -15.182 4.541 -8.395 185 2HZ LYS 22 HZ2 LYS 22 -13.767 4.181 -7.525 186 3HZ LYS 22 HZ3 LYS 22 -13.837 5.571 -8.500 187 H LYS 23 HN LYS 23 -15.664 7.429 -0.914 188 HA LYS 23 HA LYS 23 -17.423 6.138 -0.061 189 1HB LYS 23 HB2 LYS 23 -18.839 7.441 -2.387 190 2HB LYS 23 HB1 LYS 23 -19.644 6.625 -1.052 191 1HG LYS 23 HG2 LYS 23 -18.627 8.218 0.539 192 2HG LYS 23 HG1 LYS 23 -17.832 9.045 -0.800 193 1HD LYS 23 HD2 LYS 23 -20.033 9.564 -1.791 194 2HD LYS 23 HD1 LYS 23 -20.830 8.740 -0.450 195 1HE LYS 23 HE2 LYS 23 -18.861 10.842 0.308 196 2HE LYS 23 HE1 LYS 23 -20.376 11.405 -0.427 197 1HZ LYS 23 HZ1 LYS 23 -21.618 10.056 1.123 198 2HZ LYS 23 HZ2 LYS 23 -20.590 11.098 1.985 199 3HZ LYS 23 HZ3 LYS 23 -20.188 9.457 1.810 200 H ALA 24 HN ALA 24 -15.721 5.157 -2.456 201 HA ALA 24 HA ALA 24 -17.244 3.419 -4.117 202 1HB ALA 24 HB1 ALA 24 -15.084 2.271 -4.407 203 2HB ALA 24 HB2 ALA 24 -14.464 3.041 -2.950 204 3HB ALA 24 HB3 ALA 24 -14.836 4.015 -4.372 205 HA PRO 25 HA PRO 25 -18.528 0.253 -1.315 206 1HB PRO 25 HB2 PRO 25 -18.428 -1.994 -2.864 207 2HB PRO 25 HB1 PRO 25 -19.665 -0.739 -3.081 208 1HG PRO 25 HG2 PRO 25 -17.168 -1.230 -4.634 209 2HG PRO 25 HG1 PRO 25 -18.778 -0.750 -5.202 210 1HD PRO 25 HD2 PRO 25 -16.713 1.009 -4.917 211 2HD PRO 25 HD1 PRO 25 -18.423 1.475 -4.760 212 H LYS 26 HN LYS 26 -17.763 -1.824 -0.285 213 HA LYS 26 HA LYS 26 -15.041 -1.786 0.510 214 1HB LYS 26 HB2 LYS 26 -17.137 -3.976 0.396 215 2HB LYS 26 HB1 LYS 26 -15.602 -4.153 1.251 216 1HG LYS 26 HG2 LYS 26 -16.145 -2.182 2.635 217 2HG LYS 26 HG1 LYS 26 -17.681 -2.011 1.785 218 1HD LYS 26 HD2 LYS 26 -18.363 -4.253 2.556 219 2HD LYS 26 HD1 LYS 26 -16.829 -4.425 3.410 220 1HE LYS 26 HE2 LYS 26 -17.391 -2.418 4.782 221 2HE LYS 26 HE1 LYS 26 -18.968 -2.340 3.971 222 1HZ LYS 26 HZ1 LYS 26 -19.020 -3.643 6.058 223 2HZ LYS 26 HZ2 LYS 26 -17.920 -4.741 5.371 224 3HZ LYS 26 HZ3 LYS 26 -19.469 -4.551 4.698 225 H GLU 27 HN GLU 27 -16.573 -3.142 -2.316 226 HA GLU 27 HA GLU 27 -14.725 -5.104 -3.183 227 1HB GLU 27 HB2 GLU 27 -16.946 -4.592 -4.160 228 2HB GLU 27 HB1 GLU 27 -16.337 -3.042 -4.733 229 1HG GLU 27 HG2 GLU 27 -14.683 -4.213 -6.143 230 2HG GLU 27 HG1 GLU 27 -15.301 -5.754 -5.569 231 H ASP 28 HN ASP 28 -14.723 -1.573 -3.676 232 HA ASP 28 HA ASP 28 -12.305 -1.543 -5.293 233 1HB ASP 28 HB2 ASP 28 -14.091 0.438 -3.909 234 2HB ASP 28 HB1 ASP 28 -12.566 0.983 -4.612 235 H VAL 29 HN VAL 29 -13.000 -0.600 -1.904 236 HA VAL 29 HA VAL 29 -10.316 0.138 -1.230 237 HB VAL 29 HB VAL 29 -12.656 -0.898 0.407 238 1HG1 VAL 29 HG11 VAL 29 -10.217 0.622 1.380 239 2HG1 VAL 29 HG12 VAL 29 -10.449 -1.113 1.593 240 3HG1 VAL 29 HG13 VAL 29 -11.553 0.025 2.365 241 1HG2 VAL 29 HG21 VAL 29 -11.771 1.944 0.422 242 2HG2 VAL 29 HG22 VAL 29 -13.401 1.273 0.486 243 3HG2 VAL 29 HG23 VAL 29 -12.546 1.368 -1.054 244 H ASP 30 HN ASP 30 -12.089 -2.927 -0.678 245 HA ASP 30 HA ASP 30 -9.960 -4.370 0.538 246 1HB ASP 30 HB2 ASP 30 -12.337 -5.183 -1.158 247 2HB ASP 30 HB1 ASP 30 -11.315 -6.351 -0.319 248 H ALA 31 HN ALA 31 -10.819 -4.010 -2.915 249 HA ALA 31 HA ALA 31 -8.957 -5.893 -3.974 250 1HB ALA 31 HB1 ALA 31 -10.511 -5.145 -5.520 251 2HB ALA 31 HB2 ALA 31 -9.161 -4.096 -5.953 252 3HB ALA 31 HB3 ALA 31 -10.456 -3.487 -4.923 253 H ALA 32 HN ALA 32 -8.610 -2.354 -3.573 254 HA ALA 32 HA ALA 32 -5.846 -2.270 -4.402 255 1HB ALA 32 HB1 ALA 32 -7.104 -0.340 -2.452 256 2HB ALA 32 HB2 ALA 32 -7.700 -0.422 -4.107 257 3HB ALA 32 HB3 ALA 32 -6.017 0.003 -3.797 258 H VAL 33 HN VAL 33 -7.437 -2.607 -1.246 259 HA VAL 33 HA VAL 33 -5.046 -2.504 0.374 260 HB VAL 33 HB VAL 33 -7.882 -3.525 0.626 261 1HG1 VAL 33 HG11 VAL 33 -7.424 -3.976 3.055 262 2HG1 VAL 33 HG12 VAL 33 -5.701 -3.779 2.735 263 3HG1 VAL 33 HG13 VAL 33 -6.589 -5.110 1.994 264 1HG2 VAL 33 HG21 VAL 33 -6.222 -1.275 1.695 265 2HG2 VAL 33 HG22 VAL 33 -7.672 -1.785 2.561 266 3HG2 VAL 33 HG23 VAL 33 -7.792 -1.224 0.895 267 H LYS 34 HN LYS 34 -6.872 -5.253 -1.099 268 HA LYS 34 HA LYS 34 -5.146 -7.339 -0.153 269 1HB LYS 34 HB2 LYS 34 -6.886 -7.010 -2.616 270 2HB LYS 34 HB1 LYS 34 -6.098 -8.532 -2.198 271 1HG LYS 34 HG2 LYS 34 -7.826 -7.071 -0.201 272 2HG LYS 34 HG1 LYS 34 -8.527 -8.190 -1.373 273 1HD LYS 34 HD2 LYS 34 -6.982 -9.962 -0.569 274 2HD LYS 34 HD1 LYS 34 -6.352 -8.841 0.638 275 1HE LYS 34 HE2 LYS 34 -8.031 -10.196 1.740 276 2HE LYS 34 HE1 LYS 34 -8.757 -8.597 1.483 277 1HZ LYS 34 HZ1 LYS 34 -10.124 -10.563 0.719 278 2HZ LYS 34 HZ2 LYS 34 -8.973 -10.781 -0.512 279 3HZ LYS 34 HZ3 LYS 34 -9.874 -9.343 -0.431 280 H GLN 35 HN GLN 35 -5.043 -5.269 -3.041 281 HA GLN 35 HA GLN 35 -2.716 -6.448 -4.281 282 1HB GLN 35 HB2 GLN 35 -4.517 -4.743 -5.147 283 2HB GLN 35 HB1 GLN 35 -3.501 -3.528 -4.376 284 1HG GLN 35 HG2 GLN 35 -2.794 -3.679 -6.672 285 2HG GLN 35 HG1 GLN 35 -1.545 -4.438 -5.684 286 1HE2 GLN 35 HE21 GLN 35 -0.931 -6.504 -6.342 287 2HE2 GLN 35 HE22 GLN 35 -1.864 -7.530 -7.321 288 H LEU 36 HN LEU 36 -3.179 -3.627 -2.194 289 HA LEU 36 HA LEU 36 -0.450 -2.872 -1.870 290 1HB LEU 36 HB2 LEU 36 -2.091 -1.309 -1.295 291 2HB LEU 36 HB1 LEU 36 -3.058 -2.488 -0.418 292 HG LEU 36 HG LEU 36 -1.454 -2.495 1.415 293 1HD1 LEU 36 HD11 LEU 36 0.705 -1.996 0.954 294 2HD1 LEU 36 HD12 LEU 36 0.235 -0.298 0.882 295 3HD1 LEU 36 HD13 LEU 36 0.264 -1.268 -0.590 296 1HD2 LEU 36 HD21 LEU 36 -1.508 0.245 1.655 297 2HD2 LEU 36 HD22 LEU 36 -2.856 -0.824 2.042 298 3HD2 LEU 36 HD23 LEU 36 -2.780 -0.040 0.466 299 H LEU 37 HN LEU 37 -2.489 -5.159 -0.042 300 HA LEU 37 HA LEU 37 -0.693 -5.758 2.076 301 1HB LEU 37 HB2 LEU 37 -2.894 -7.173 0.642 302 2HB LEU 37 HB1 LEU 37 -1.962 -8.054 1.849 303 HG LEU 37 HG LEU 37 -3.110 -5.336 2.471 304 1HD1 LEU 37 HD11 LEU 37 -4.966 -6.803 3.600 305 2HD1 LEU 37 HD12 LEU 37 -4.498 -8.009 2.401 306 3HD1 LEU 37 HD13 LEU 37 -5.102 -6.435 1.881 307 1HD2 LEU 37 HD21 LEU 37 -1.676 -5.976 4.192 308 2HD2 LEU 37 HD22 LEU 37 -2.004 -7.693 3.963 309 3HD2 LEU 37 HD23 LEU 37 -3.195 -6.668 4.762 310 H SER 38 HN SER 38 -0.918 -7.052 -1.226 311 HA SER 38 HA SER 38 1.027 -9.139 -0.995 312 1HB SER 38 HB2 SER 38 -0.572 -8.717 -2.891 313 2HB SER 38 HB1 SER 38 0.410 -7.332 -3.359 314 HG SER 38 HG SER 38 0.882 -10.046 -3.632 315 H LEU 39 HN LEU 39 1.344 -5.675 -1.760 316 HA LEU 39 HA LEU 39 4.184 -5.691 -2.273 317 1HB LEU 39 HB2 LEU 39 2.370 -3.488 -1.227 318 2HB LEU 39 HB1 LEU 39 3.927 -3.255 -2.021 319 HG LEU 39 HG LEU 39 1.396 -4.385 -3.261 320 1HD1 LEU 39 HD11 LEU 39 1.227 -2.051 -3.272 321 2HD1 LEU 39 HD12 LEU 39 1.960 -2.396 -4.840 322 3HD1 LEU 39 HD13 LEU 39 2.961 -1.833 -3.505 323 1HD2 LEU 39 HD21 LEU 39 3.067 -5.639 -4.349 324 2HD2 LEU 39 HD22 LEU 39 4.263 -4.352 -4.204 325 3HD2 LEU 39 HD23 LEU 39 2.957 -4.213 -5.380 326 H LYS 40 HN LYS 40 2.269 -4.783 0.584 327 HA LYS 40 HA LYS 40 4.436 -4.318 2.387 328 1HB LYS 40 HB2 LYS 40 2.090 -3.640 2.754 329 2HB LYS 40 HB1 LYS 40 1.610 -5.334 2.848 330 1HG LYS 40 HG2 LYS 40 3.035 -5.648 4.822 331 2HG LYS 40 HG1 LYS 40 3.552 -3.964 4.729 332 1HD LYS 40 HD2 LYS 40 1.256 -3.208 5.101 333 2HD LYS 40 HD1 LYS 40 0.685 -4.877 5.104 334 1HE LYS 40 HE2 LYS 40 1.390 -5.235 7.249 335 2HE LYS 40 HE1 LYS 40 2.896 -4.331 7.000 336 1HZ LYS 40 HZ1 LYS 40 0.221 -3.054 7.152 337 2HZ LYS 40 HZ2 LYS 40 1.734 -2.280 7.142 338 3HZ LYS 40 HZ3 LYS 40 1.258 -3.203 8.486 339 H ALA 41 HN ALA 41 2.619 -7.239 1.550 340 HA ALA 41 HA ALA 41 3.697 -9.027 3.480 341 1HB ALA 41 HB1 ALA 41 3.102 -10.707 1.585 342 2HB ALA 41 HB2 ALA 41 2.575 -9.283 0.689 343 3HB ALA 41 HB3 ALA 41 1.806 -9.694 2.221 344 H GLU 42 HN GLU 42 4.818 -8.376 0.110 345 HA GLU 42 HA GLU 42 7.044 -10.165 0.157 346 1HB GLU 42 HB2 GLU 42 6.477 -7.560 -1.287 347 2HB GLU 42 HB1 GLU 42 7.863 -8.587 -1.667 348 1HG GLU 42 HG2 GLU 42 6.377 -10.462 -2.177 349 2HG GLU 42 HG1 GLU 42 4.972 -9.504 -1.717 350 H TYR 43 HN TYR 43 6.933 -6.654 0.862 351 HA TYR 43 HA TYR 43 9.679 -6.349 1.603 352 1HB TYR 43 HB2 TYR 43 7.632 -4.695 1.173 353 2HB TYR 43 HB1 TYR 43 7.493 -4.787 2.931 354 HD1 TYR 43 HD1 TYR 43 8.684 -3.221 4.159 355 HD2 TYR 43 HD2 TYR 43 10.191 -4.458 0.338 356 HE1 TYR 43 HE1 TYR 43 10.563 -1.620 4.389 357 HE2 TYR 43 HE2 TYR 43 12.079 -2.867 0.566 358 HH TYR 43 HH TYR 43 12.157 -0.369 2.463 359 H LYS 44 HN LYS 44 6.798 -7.184 3.493 360 HA LYS 44 HA LYS 44 7.922 -7.141 6.108 361 1HB LYS 44 HB2 LYS 44 5.518 -7.273 5.554 362 2HB LYS 44 HB1 LYS 44 5.753 -8.894 4.902 363 1HG LYS 44 HG2 LYS 44 6.496 -9.681 7.122 364 2HG LYS 44 HG1 LYS 44 6.257 -8.061 7.776 365 1HD LYS 44 HD2 LYS 44 3.857 -8.180 7.149 366 2HD LYS 44 HD1 LYS 44 4.109 -9.825 6.565 367 1HE LYS 44 HE2 LYS 44 4.772 -8.994 9.406 368 2HE LYS 44 HE1 LYS 44 3.198 -9.670 8.941 369 1HZ LYS 44 HZ1 LYS 44 4.428 -11.526 7.883 370 2HZ LYS 44 HZ2 LYS 44 4.615 -11.471 9.570 371 3HZ LYS 44 HZ3 LYS 44 5.863 -10.923 8.556 372 H GLU 45 HN GLU 45 7.837 -9.733 3.665 373 HA GLU 45 HA GLU 45 8.831 -11.862 5.252 374 1HB GLU 45 HB2 GLU 45 9.017 -11.153 2.320 375 2HB GLU 45 HB1 GLU 45 9.652 -12.673 2.950 376 1HG GLU 45 HG2 GLU 45 7.411 -13.179 3.912 377 2HG GLU 45 HG1 GLU 45 6.791 -11.696 3.192 378 H LYS 46 HN LYS 46 10.618 -9.301 3.509 379 HA LYS 46 HA LYS 46 13.237 -10.395 3.796 380 1HB LYS 46 HB2 LYS 46 12.219 -7.539 3.706 381 2HB LYS 46 HB1 LYS 46 13.907 -7.996 3.487 382 1HG LYS 46 HG2 LYS 46 11.656 -9.101 1.790 383 2HG LYS 46 HG1 LYS 46 12.610 -7.690 1.333 384 1HD LYS 46 HD2 LYS 46 14.681 -9.125 1.584 385 2HD LYS 46 HD1 LYS 46 13.611 -10.515 1.769 386 1HE LYS 46 HE2 LYS 46 12.711 -10.236 -0.444 387 2HE LYS 46 HE1 LYS 46 13.480 -8.646 -0.620 388 1HZ LYS 46 HZ1 LYS 46 14.760 -10.471 -1.672 389 2HZ LYS 46 HZ2 LYS 46 14.963 -11.176 -0.140 390 3HZ LYS 46 HZ3 LYS 46 15.632 -9.650 -0.472 391 H THR 47 HN THR 47 11.644 -7.913 5.898 392 HA THR 47 HA THR 47 13.000 -9.076 8.259 393 HB THR 47 HB THR 47 13.497 -6.163 7.808 394 HG1 THR 47 HG1 THR 47 14.261 -6.787 5.897 395 1HG2 THR 47 HG21 THR 47 15.600 -6.747 8.968 396 2HG2 THR 47 HG22 THR 47 15.121 -8.445 8.962 397 3HG2 THR 47 HG23 THR 47 14.189 -7.268 9.887 398 H GLY 48 HN GLY 48 10.184 -8.117 7.168 399 1HA GLY 48 HA2 GLY 48 8.219 -7.410 8.250 400 2HA GLY 48 HA1 GLY 48 9.134 -7.378 9.757 401 H GLN 49 HN GLN 49 10.035 -5.536 6.872 402 HA GLN 49 HA GLN 49 9.992 -3.056 8.463 403 1HB GLN 49 HB2 GLN 49 10.843 -3.825 5.664 404 2HB GLN 49 HB1 GLN 49 10.979 -2.180 6.286 405 1HG GLN 49 HG2 GLN 49 12.454 -2.892 8.056 406 2HG GLN 49 HG1 GLN 49 12.180 -4.591 7.671 407 1HE2 GLN 49 HE21 GLN 49 14.816 -3.443 7.666 408 2HE2 GLN 49 HE22 GLN 49 15.395 -3.453 6.071 409 H GLU 50 HN GLU 50 7.812 -4.660 6.333 410 HA GLU 50 HA GLU 50 5.950 -3.934 5.055 411 1HB GLU 50 HB2 GLU 50 4.343 -2.937 6.600 412 2HB GLU 50 HB1 GLU 50 5.325 -4.126 7.447 413 1HG GLU 50 HG2 GLU 50 6.660 -2.413 8.481 414 2HG GLU 50 HG1 GLU 50 5.948 -1.161 7.462 415 H TYR 51 HN TYR 51 4.507 -1.449 5.326 416 HA TYR 51 HA TYR 51 5.766 0.140 3.307 417 1HB TYR 51 HB2 TYR 51 3.350 0.054 3.767 418 2HB TYR 51 HB1 TYR 51 3.615 0.783 5.351 419 HD1 TYR 51 HD1 TYR 51 3.411 3.094 5.568 420 HD2 TYR 51 HD2 TYR 51 4.351 1.425 1.724 421 HE1 TYR 51 HE1 TYR 51 3.284 5.354 4.557 422 HE2 TYR 51 HE2 TYR 51 4.224 3.686 0.713 423 HH TYR 51 HH TYR 51 2.863 6.339 2.310 424 H LYS 52 HN LYS 52 7.545 1.418 3.558 425 HA LYS 52 HA LYS 52 8.607 2.202 6.135 426 1HB LYS 52 HB2 LYS 52 9.166 2.931 3.249 427 2HB LYS 52 HB1 LYS 52 10.110 3.598 4.582 428 1HG LYS 52 HG2 LYS 52 10.147 0.955 5.233 429 2HG LYS 52 HG1 LYS 52 10.083 0.848 3.474 430 1HD LYS 52 HD2 LYS 52 12.176 1.721 3.211 431 2HD LYS 52 HD1 LYS 52 11.982 2.852 4.551 432 1HE LYS 52 HE2 LYS 52 12.194 -0.095 5.137 433 2HE LYS 52 HE1 LYS 52 13.664 0.851 4.826 434 1HZ LYS 52 HZ1 LYS 52 13.047 2.407 6.508 435 2HZ LYS 52 HZ2 LYS 52 12.961 0.856 7.196 436 3HZ LYS 52 HZ3 LYS 52 11.539 1.664 6.736 437 HA PRO 53 HA PRO 53 6.087 5.869 6.414 438 1HB PRO 53 HB2 PRO 53 7.109 6.878 8.728 439 2HB PRO 53 HB1 PRO 53 6.036 5.467 8.687 440 1HG PRO 53 HG2 PRO 53 8.938 5.606 9.154 441 2HG PRO 53 HG1 PRO 53 7.762 4.399 9.687 442 1HD PRO 53 HD2 PRO 53 9.576 4.179 7.529 443 2HD PRO 53 HD1 PRO 53 8.263 3.057 7.947 444 H GLY 54 HN GLY 54 6.750 8.332 7.242 445 1HA GLY 54 HA2 GLY 54 7.980 10.278 6.802 446 2HA GLY 54 HA1 GLY 54 9.370 9.256 6.450 447 H ASN 55 HN ASN 55 6.439 8.639 4.666 448 HA ASN 55 HA ASN 55 5.957 8.885 2.359 449 1HB ASN 55 HB2 ASN 55 6.867 11.407 3.483 450 2HB ASN 55 HB1 ASN 55 7.311 11.307 1.779 451 1HD2 ASN 55 HD21 ASN 55 5.714 12.343 0.581 452 2HD2 ASN 55 HD22 ASN 55 4.039 12.180 0.841 453 HA PRO 56 HA PRO 56 9.396 7.615 -0.104 454 1HB PRO 56 HB2 PRO 56 9.257 9.063 -2.433 455 2HB PRO 56 HB1 PRO 56 8.142 7.737 -2.047 456 1HG PRO 56 HG2 PRO 56 7.740 10.677 -1.805 457 2HG PRO 56 HG1 PRO 56 6.613 9.426 -2.353 458 1HD PRO 56 HD2 PRO 56 6.503 10.515 0.118 459 2HD PRO 56 HD1 PRO 56 6.016 8.839 -0.215 460 HA PRO 57 HA PRO 57 12.670 10.432 0.776 461 1HB PRO 57 HB2 PRO 57 14.679 9.419 -0.786 462 2HB PRO 57 HB1 PRO 57 14.132 8.645 0.716 463 1HG PRO 57 HG2 PRO 57 13.446 7.985 -2.109 464 2HG PRO 57 HG1 PRO 57 13.803 6.903 -0.753 465 1HD PRO 57 HD2 PRO 57 11.279 7.399 -1.596 466 2HD PRO 57 HD1 PRO 57 11.674 7.054 0.104 Start of MODEL 15 1 2H ASP 1 HN2 ASP 1 18.662 -0.205 -5.410 2 H ASP 1 H ASP 1 19.646 1.054 -5.990 3 HA ASP 1 HA ASP 1 17.829 2.647 -5.581 4 1HB ASP 1 HB2 ASP 1 16.602 1.881 -7.569 5 2HB ASP 1 HB1 ASP 1 18.320 1.543 -7.759 6 H SER 2 HN SER 2 17.463 1.362 -3.177 7 HA SER 2 HA SER 2 15.122 -0.302 -2.990 8 1HB SER 2 HB2 SER 2 16.748 -0.192 -1.206 9 2HB SER 2 HB1 SER 2 16.551 1.553 -1.062 10 HG SER 2 HG SER 2 15.148 0.965 0.412 11 H LEU 3 HN LEU 3 15.528 3.133 -3.427 12 HA LEU 3 HA LEU 3 13.150 4.157 -2.258 13 1HB LEU 3 HB2 LEU 3 15.168 5.338 -3.295 14 2HB LEU 3 HB1 LEU 3 14.414 5.052 -4.858 15 HG LEU 3 HG LEU 3 12.744 6.286 -2.710 16 1HD1 LEU 3 HD11 LEU 3 15.100 7.424 -2.917 17 2HD1 LEU 3 HD12 LEU 3 13.652 8.430 -2.936 18 3HD1 LEU 3 HD13 LEU 3 14.469 8.031 -4.448 19 1HD2 LEU 3 HD21 LEU 3 11.648 5.805 -4.786 20 2HD2 LEU 3 HD22 LEU 3 12.983 6.476 -5.723 21 3HD2 LEU 3 HD23 LEU 3 11.939 7.544 -4.784 22 H VAL 4 HN VAL 4 13.693 2.811 -5.531 23 HA VAL 4 HA VAL 4 11.145 3.372 -6.643 24 HB VAL 4 HB VAL 4 13.321 2.399 -7.654 25 1HG1 VAL 4 HG11 VAL 4 13.445 -0.005 -7.911 26 2HG1 VAL 4 HG12 VAL 4 11.938 -0.216 -7.023 27 3HG1 VAL 4 HG13 VAL 4 13.377 0.366 -6.189 28 1HG2 VAL 4 HG21 VAL 4 12.058 1.396 -9.517 29 2HG2 VAL 4 HG22 VAL 4 11.263 2.857 -8.933 30 3HG2 VAL 4 HG23 VAL 4 10.634 1.272 -8.484 31 H LEU 5 HN LEU 5 12.166 0.616 -4.641 32 HA LEU 5 HA LEU 5 9.769 -0.936 -4.764 33 1HB LEU 5 HB2 LEU 5 12.152 -0.624 -3.019 34 2HB LEU 5 HB1 LEU 5 10.762 -1.384 -2.251 35 HG LEU 5 HG LEU 5 12.291 -3.042 -3.306 36 1HD1 LEU 5 HD11 LEU 5 10.280 -4.091 -3.277 37 2HD1 LEU 5 HD12 LEU 5 10.307 -3.831 -5.021 38 3HD1 LEU 5 HD13 LEU 5 9.434 -2.711 -3.974 39 1HD2 LEU 5 HD21 LEU 5 11.424 -1.771 -5.919 40 2HD2 LEU 5 HD22 LEU 5 12.506 -3.149 -5.728 41 3HD2 LEU 5 HD23 LEU 5 13.015 -1.549 -5.189 42 H TYR 6 HN TYR 6 10.723 1.737 -2.623 43 HA TYR 6 HA TYR 6 8.470 1.724 -0.867 44 1HB TYR 6 HB2 TYR 6 10.556 3.647 -1.795 45 2HB TYR 6 HB1 TYR 6 9.162 4.321 -0.958 46 HD1 TYR 6 HD1 TYR 6 12.093 2.097 -0.645 47 HD2 TYR 6 HD2 TYR 6 8.719 3.830 1.360 48 HE1 TYR 6 HE1 TYR 6 13.050 1.422 1.540 49 HE2 TYR 6 HE2 TYR 6 9.673 3.161 3.546 50 HH TYR 6 HH TYR 6 11.357 1.240 4.305 51 H ASN 7 HN ASN 7 8.991 3.288 -4.024 52 HA ASN 7 HA ASN 7 6.596 4.833 -4.134 53 1HB ASN 7 HB2 ASN 7 8.282 3.489 -6.270 54 2HB ASN 7 HB1 ASN 7 7.021 4.666 -6.616 55 1HD2 ASN 7 HD21 ASN 7 9.828 5.116 -7.226 56 2HD2 ASN 7 HD22 ASN 7 10.349 6.425 -6.280 57 H ARG 8 HN ARG 8 7.251 1.482 -5.166 58 HA ARG 8 HA ARG 8 4.769 0.911 -6.436 59 1HB ARG 8 HB2 ARG 8 6.829 -0.448 -6.531 60 2HB ARG 8 HB1 ARG 8 6.627 -0.873 -4.833 61 1HG ARG 8 HG2 ARG 8 4.474 -1.963 -5.359 62 2HG ARG 8 HG1 ARG 8 4.680 -1.541 -7.062 63 1HD ARG 8 HD2 ARG 8 6.813 -2.840 -7.099 64 2HD ARG 8 HD1 ARG 8 6.504 -3.337 -5.424 65 HE ARG 8 HE ARG 8 4.381 -4.387 -6.255 66 1HH1 ARG 8 HH11 ARG 8 6.795 -5.772 -7.483 67 2HH1 ARG 8 HH12 ARG 8 6.316 -5.882 -9.144 68 1HH2 ARG 8 HH21 ARG 8 3.765 -3.554 -8.838 69 2HH2 ARG 8 HH22 ARG 8 4.601 -4.627 -9.910 70 H VAL 9 HN VAL 9 5.725 0.286 -3.030 71 HA VAL 9 HA VAL 9 3.143 -0.719 -2.252 72 HB VAL 9 HB VAL 9 4.071 -0.446 0.033 73 1HG1 VAL 9 HG11 VAL 9 4.890 -2.170 -1.830 74 2HG1 VAL 9 HG12 VAL 9 5.637 -2.121 -0.233 75 3HG1 VAL 9 HG13 VAL 9 6.417 -1.320 -1.596 76 1HG2 VAL 9 HG21 VAL 9 5.196 1.768 -0.382 77 2HG2 VAL 9 HG22 VAL 9 6.418 0.919 -1.325 78 3HG2 VAL 9 HG23 VAL 9 6.243 0.586 0.393 79 H ALA 10 HN ALA 10 4.651 2.472 -2.168 80 HA ALA 10 HA ALA 10 2.622 3.922 -0.779 81 1HB ALA 10 HB1 ALA 10 4.593 4.693 -2.950 82 2HB ALA 10 HB2 ALA 10 4.851 4.789 -1.208 83 3HB ALA 10 HB3 ALA 10 3.683 5.857 -1.987 84 H VAL 11 HN VAL 11 2.979 3.125 -4.238 85 HA VAL 11 HA VAL 11 0.901 4.774 -5.270 86 HB VAL 11 HB VAL 11 2.054 2.092 -6.115 87 1HG1 VAL 11 HG11 VAL 11 0.301 3.979 -7.719 88 2HG1 VAL 11 HG12 VAL 11 -0.165 2.375 -7.151 89 3HG1 VAL 11 HG13 VAL 11 1.115 2.549 -8.353 90 1HG2 VAL 11 HG21 VAL 11 2.600 4.492 -7.724 91 2HG2 VAL 11 HG22 VAL 11 3.718 3.291 -7.080 92 3HG2 VAL 11 HG23 VAL 11 3.181 4.627 -6.064 93 H GLN 12 HN GLN 12 0.713 1.312 -4.221 94 HA GLN 12 HA GLN 12 -2.102 1.000 -4.667 95 1HB GLN 12 HB2 GLN 12 -0.187 -0.228 -2.650 96 2HB GLN 12 HB1 GLN 12 -1.814 -0.837 -2.953 97 1HG GLN 12 HG2 GLN 12 0.357 -0.580 -5.055 98 2HG GLN 12 HG1 GLN 12 -0.091 -2.081 -4.245 99 1HE2 GLN 12 HE21 GLN 12 -2.840 -2.078 -4.255 100 2HE2 GLN 12 HE22 GLN 12 -3.443 -1.979 -5.838 101 H GLY 13 HN GLY 13 -0.332 1.752 -1.674 102 1HA GLY 13 HA2 GLY 13 -2.218 2.101 0.250 103 2HA GLY 13 HA1 GLY 13 -0.872 3.243 0.082 104 H ASP 14 HN ASP 14 -1.293 4.795 -1.893 105 HA ASP 14 HA ASP 14 -3.347 6.606 -1.107 106 1HB ASP 14 HB2 ASP 14 -1.695 6.263 -3.624 107 2HB ASP 14 HB1 ASP 14 -2.733 7.661 -3.344 108 H VAL 15 HN VAL 15 -3.288 4.153 -3.711 109 HA VAL 15 HA VAL 15 -5.697 4.907 -5.035 110 HB VAL 15 HB VAL 15 -4.382 2.202 -4.585 111 1HG1 VAL 15 HG11 VAL 15 -5.608 1.759 -6.857 112 2HG1 VAL 15 HG12 VAL 15 -6.671 3.068 -6.339 113 3HG1 VAL 15 HG13 VAL 15 -6.520 1.614 -5.354 114 1HG2 VAL 15 HG21 VAL 15 -3.164 2.617 -6.549 115 2HG2 VAL 15 HG22 VAL 15 -3.172 4.196 -5.762 116 3HG2 VAL 15 HG23 VAL 15 -4.283 3.868 -7.092 117 H VAL 16 HN VAL 16 -5.162 2.791 -2.208 118 HA VAL 16 HA VAL 16 -7.842 1.849 -1.877 119 HB VAL 16 HB VAL 16 -5.567 2.435 0.053 120 1HG1 VAL 16 HG11 VAL 16 -7.846 2.347 1.183 121 2HG1 VAL 16 HG12 VAL 16 -6.697 1.127 1.727 122 3HG1 VAL 16 HG13 VAL 16 -7.982 0.688 0.602 123 1HG2 VAL 16 HG21 VAL 16 -5.020 0.139 -0.191 124 2HG2 VAL 16 HG22 VAL 16 -5.371 0.692 -1.829 125 3HG2 VAL 16 HG23 VAL 16 -6.576 -0.234 -0.933 126 H ARG 17 HN ARG 17 -6.177 4.662 -0.428 127 HA ARG 17 HA ARG 17 -8.396 5.734 1.006 128 1HB ARG 17 HB2 ARG 17 -5.992 6.363 1.245 129 2HB ARG 17 HB1 ARG 17 -6.064 7.155 -0.329 130 1HG ARG 17 HG2 ARG 17 -7.910 8.609 0.550 131 2HG ARG 17 HG1 ARG 17 -7.658 7.891 2.141 132 1HD ARG 17 HD2 ARG 17 -5.405 9.214 0.603 133 2HD ARG 17 HD1 ARG 17 -6.437 10.105 1.736 134 HE ARG 17 HE ARG 17 -5.537 7.705 3.008 135 1HH1 ARG 17 HH11 ARG 17 -5.402 10.398 4.287 136 2HH1 ARG 17 HH12 ARG 17 -3.695 10.683 4.375 137 1HH2 ARG 17 HH21 ARG 17 -2.895 8.222 2.068 138 2HH2 ARG 17 HH22 ARG 17 -2.277 9.451 3.119 139 H GLU 18 HN GLU 18 -7.251 6.367 -2.324 140 HA GLU 18 HA GLU 18 -9.133 8.388 -3.015 141 1HB GLU 18 HB2 GLU 18 -7.650 6.304 -4.587 142 2HB GLU 18 HB1 GLU 18 -8.580 7.582 -5.356 143 1HG GLU 18 HG2 GLU 18 -7.223 9.275 -4.179 144 2HG GLU 18 HG1 GLU 18 -6.283 7.991 -3.419 145 H LEU 19 HN LEU 19 -9.364 4.826 -3.345 146 HA LEU 19 HA LEU 19 -11.834 4.735 -4.761 147 1HB LEU 19 HB2 LEU 19 -10.527 2.895 -2.770 148 2HB LEU 19 HB1 LEU 19 -11.956 2.441 -3.691 149 HG LEU 19 HG LEU 19 -9.373 3.383 -4.963 150 1HD1 LEU 19 HD11 LEU 19 -8.857 1.067 -5.408 151 2HD1 LEU 19 HD12 LEU 19 -10.394 0.540 -4.725 152 3HD1 LEU 19 HD13 LEU 19 -9.149 1.218 -3.675 153 1HD2 LEU 19 HD21 LEU 19 -10.505 2.109 -6.920 154 2HD2 LEU 19 HD22 LEU 19 -11.147 3.696 -6.495 155 3HD2 LEU 19 HD23 LEU 19 -11.980 2.236 -5.962 156 H LYS 20 HN LYS 20 -11.156 4.791 -1.285 157 HA LYS 20 HA LYS 20 -13.865 4.589 -0.383 158 1HB LYS 20 HB2 LYS 20 -11.585 4.285 0.847 159 2HB LYS 20 HB1 LYS 20 -11.641 6.036 1.058 160 1HG LYS 20 HG2 LYS 20 -12.665 5.126 3.013 161 2HG LYS 20 HG1 LYS 20 -13.997 5.694 2.003 162 1HD LYS 20 HD2 LYS 20 -14.522 3.500 1.263 163 2HD LYS 20 HD1 LYS 20 -12.986 2.854 1.839 164 1HE LYS 20 HE2 LYS 20 -14.647 2.171 3.446 165 2HE LYS 20 HE1 LYS 20 -13.765 3.514 4.201 166 1HZ LYS 20 HZ1 LYS 20 -16.104 3.952 4.374 167 2HZ LYS 20 HZ2 LYS 20 -16.331 3.684 2.712 168 3HZ LYS 20 HZ3 LYS 20 -15.444 5.032 3.244 169 H ALA 21 HN ALA 21 -11.720 7.296 -1.135 170 HA ALA 21 HA ALA 21 -13.428 9.446 -0.333 171 1HB ALA 21 HB1 ALA 21 -11.406 9.233 -2.596 172 2HB ALA 21 HB2 ALA 21 -11.027 9.641 -0.922 173 3HB ALA 21 HB3 ALA 21 -11.999 10.741 -1.900 174 H LYS 22 HN LYS 22 -13.422 7.296 -3.114 175 HA LYS 22 HA LYS 22 -15.367 8.936 -4.625 176 1HB LYS 22 HB2 LYS 22 -14.049 6.239 -5.034 177 2HB LYS 22 HB1 LYS 22 -15.213 6.921 -6.170 178 1HG LYS 22 HG2 LYS 22 -13.747 8.972 -6.312 179 2HG LYS 22 HG1 LYS 22 -12.541 8.099 -5.367 180 1HD LYS 22 HD2 LYS 22 -13.706 6.930 -7.894 181 2HD LYS 22 HD1 LYS 22 -12.310 8.007 -7.937 182 1HE LYS 22 HE2 LYS 22 -11.199 6.458 -6.245 183 2HE LYS 22 HE1 LYS 22 -12.525 5.318 -6.549 184 1HZ LYS 22 HZ1 LYS 22 -10.650 4.930 -8.054 185 2HZ LYS 22 HZ2 LYS 22 -10.781 6.520 -8.637 186 3HZ LYS 22 HZ3 LYS 22 -12.037 5.407 -8.905 187 H LYS 23 HN LYS 23 -15.796 7.230 -1.890 188 HA LYS 23 HA LYS 23 -17.623 6.136 -0.893 189 1HB LYS 23 HB2 LYS 23 -18.949 7.359 -3.314 190 2HB LYS 23 HB1 LYS 23 -19.821 6.690 -1.939 191 1HG LYS 23 HG2 LYS 23 -18.699 8.301 -0.441 192 2HG LYS 23 HG1 LYS 23 -17.839 8.983 -1.823 193 1HD LYS 23 HD2 LYS 23 -19.989 9.581 -2.872 194 2HD LYS 23 HD1 LYS 23 -20.851 8.904 -1.491 195 1HE LYS 23 HE2 LYS 23 -19.965 10.578 -0.004 196 2HE LYS 23 HE1 LYS 23 -18.821 11.148 -1.237 197 1HZ LYS 23 HZ1 LYS 23 -20.689 12.583 -1.341 198 2HZ LYS 23 HZ2 LYS 23 -21.785 11.286 -1.313 199 3HZ LYS 23 HZ3 LYS 23 -20.813 11.552 -2.682 200 H ALA 24 HN ALA 24 -16.027 4.831 -3.184 201 HA ALA 24 HA ALA 24 -17.714 3.069 -4.670 202 1HB ALA 24 HB1 ALA 24 -15.086 3.658 -4.610 203 2HB ALA 24 HB2 ALA 24 -15.689 2.167 -5.333 204 3HB ALA 24 HB3 ALA 24 -15.043 2.152 -3.692 205 HA PRO 25 HA PRO 25 -19.092 0.175 -1.661 206 1HB PRO 25 HB2 PRO 25 -18.814 -2.251 -2.899 207 2HB PRO 25 HB1 PRO 25 -20.076 -1.080 -3.333 208 1HG PRO 25 HG2 PRO 25 -17.456 -1.614 -4.658 209 2HG PRO 25 HG1 PRO 25 -19.048 -1.330 -5.384 210 1HD PRO 25 HD2 PRO 25 -17.164 0.598 -5.254 211 2HD PRO 25 HD1 PRO 25 -18.903 0.960 -5.139 212 H LYS 26 HN LYS 26 -18.399 -1.594 -0.233 213 HA LYS 26 HA LYS 26 -15.757 -1.408 0.752 214 1HB LYS 26 HB2 LYS 26 -17.872 -3.579 0.888 215 2HB LYS 26 HB1 LYS 26 -16.419 -3.581 1.893 216 1HG LYS 26 HG2 LYS 26 -17.039 -1.368 2.797 217 2HG LYS 26 HG1 LYS 26 -18.492 -1.368 1.797 218 1HD LYS 26 HD2 LYS 26 -19.290 -3.399 2.949 219 2HD LYS 26 HD1 LYS 26 -17.839 -3.400 3.952 220 1HE LYS 26 HE2 LYS 26 -18.527 -1.548 5.187 221 2HE LYS 26 HE1 LYS 26 -19.530 -0.915 3.866 222 1HZ LYS 26 HZ1 LYS 26 -20.067 -3.397 5.412 223 2HZ LYS 26 HZ2 LYS 26 -21.010 -2.809 4.127 224 3HZ LYS 26 HZ3 LYS 26 -20.907 -1.933 5.579 225 H GLU 27 HN GLU 27 -17.037 -3.303 -1.894 226 HA GLU 27 HA GLU 27 -15.085 -5.364 -2.132 227 1HB GLU 27 HB2 GLU 27 -17.246 -5.141 -3.365 228 2HB GLU 27 HB1 GLU 27 -16.550 -3.808 -4.288 229 1HG GLU 27 HG2 GLU 27 -16.270 -5.741 -5.655 230 2HG GLU 27 HG1 GLU 27 -14.689 -5.415 -4.947 231 H ASP 28 HN ASP 28 -15.098 -2.017 -3.381 232 HA ASP 28 HA ASP 28 -12.574 -2.243 -4.800 233 1HB ASP 28 HB2 ASP 28 -14.392 -0.032 -3.853 234 2HB ASP 28 HB1 ASP 28 -12.837 0.352 -4.595 235 H VAL 29 HN VAL 29 -13.498 -0.835 -1.644 236 HA VAL 29 HA VAL 29 -10.855 0.054 -0.932 237 HB VAL 29 HB VAL 29 -13.295 -0.692 0.719 238 1HG1 VAL 29 HG11 VAL 29 -11.399 -0.600 2.203 239 2HG1 VAL 29 HG12 VAL 29 -12.268 0.925 2.379 240 3HG1 VAL 29 HG13 VAL 29 -10.788 0.858 1.421 241 1HG2 VAL 29 HG21 VAL 29 -13.461 1.111 -1.106 242 2HG2 VAL 29 HG22 VAL 29 -12.357 2.059 -0.110 243 3HG2 VAL 29 HG23 VAL 29 -13.935 1.591 0.523 244 H ASP 30 HN ASP 30 -12.708 -2.842 0.077 245 HA ASP 30 HA ASP 30 -10.680 -4.035 1.674 246 1HB ASP 30 HB2 ASP 30 -12.986 -5.137 0.048 247 2HB ASP 30 HB1 ASP 30 -12.038 -6.127 1.161 248 H ALA 31 HN ALA 31 -11.395 -4.467 -1.807 249 HA ALA 31 HA ALA 31 -9.445 -6.488 -2.332 250 1HB ALA 31 HB1 ALA 31 -9.655 -5.362 -4.702 251 2HB ALA 31 HB2 ALA 31 -10.896 -4.383 -3.919 252 3HB ALA 31 HB3 ALA 31 -11.070 -6.137 -3.989 253 H ALA 32 HN ALA 32 -9.246 -2.952 -2.757 254 HA ALA 32 HA ALA 32 -6.503 -2.909 -3.618 255 1HB ALA 32 HB1 ALA 32 -8.230 -0.827 -2.228 256 2HB ALA 32 HB2 ALA 32 -8.133 -1.092 -3.969 257 3HB ALA 32 HB3 ALA 32 -6.731 -0.482 -3.090 258 H VAL 33 HN VAL 33 -7.980 -2.504 -0.369 259 HA VAL 33 HA VAL 33 -5.462 -2.004 0.956 260 HB VAL 33 HB VAL 33 -8.040 -1.692 1.616 261 1HG1 VAL 33 HG11 VAL 33 -8.613 -3.296 3.474 262 2HG1 VAL 33 HG12 VAL 33 -7.332 -4.349 2.885 263 3HG1 VAL 33 HG13 VAL 33 -8.718 -3.983 1.858 264 1HG2 VAL 33 HG21 VAL 33 -5.616 -2.100 3.334 265 2HG2 VAL 33 HG22 VAL 33 -7.167 -1.728 4.086 266 3HG2 VAL 33 HG23 VAL 33 -6.457 -0.604 2.929 267 H LYS 34 HN LYS 34 -7.308 -4.930 0.142 268 HA LYS 34 HA LYS 34 -5.738 -6.850 1.592 269 1HB LYS 34 HB2 LYS 34 -7.923 -7.273 0.450 270 2HB LYS 34 HB1 LYS 34 -7.122 -7.076 -1.110 271 1HG LYS 34 HG2 LYS 34 -5.619 -8.965 -0.577 272 2HG LYS 34 HG1 LYS 34 -6.430 -9.168 0.976 273 1HD LYS 34 HD2 LYS 34 -8.585 -9.524 -0.266 274 2HD LYS 34 HD1 LYS 34 -7.665 -9.496 -1.771 275 1HE LYS 34 HE2 LYS 34 -6.285 -11.407 -0.927 276 2HE LYS 34 HE1 LYS 34 -7.326 -11.478 0.509 277 1HZ LYS 34 HZ1 LYS 34 -9.252 -11.659 -0.985 278 2HZ LYS 34 HZ2 LYS 34 -8.181 -12.966 -1.168 279 3HZ LYS 34 HZ3 LYS 34 -8.208 -11.717 -2.320 280 H GLN 35 HN GLN 35 -5.467 -5.455 -1.653 281 HA GLN 35 HA GLN 35 -3.115 -6.833 -2.546 282 1HB GLN 35 HB2 GLN 35 -4.860 -5.309 -3.769 283 2HB GLN 35 HB1 GLN 35 -3.856 -3.977 -3.208 284 1HG GLN 35 HG2 GLN 35 -1.930 -4.798 -4.376 285 2HG GLN 35 HG1 GLN 35 -2.731 -6.323 -4.751 286 1HE2 GLN 35 HE21 GLN 35 -1.686 -4.736 -6.856 287 2HE2 GLN 35 HE22 GLN 35 -2.973 -4.094 -7.757 288 H LEU 36 HN LEU 36 -3.638 -3.821 -0.774 289 HA LEU 36 HA LEU 36 -0.960 -2.845 -0.653 290 1HB LEU 36 HB2 LEU 36 -3.181 -1.752 -0.039 291 2HB LEU 36 HB1 LEU 36 -3.129 -2.662 1.463 292 HG LEU 36 HG LEU 36 -2.298 -0.308 1.659 293 1HD1 LEU 36 HD11 LEU 36 -0.626 -0.855 3.192 294 2HD1 LEU 36 HD12 LEU 36 0.013 -2.153 2.186 295 3HD1 LEU 36 HD13 LEU 36 -1.508 -2.376 3.050 296 1HD2 LEU 36 HD21 LEU 36 0.264 -1.113 0.345 297 2HD2 LEU 36 HD22 LEU 36 -0.465 0.486 0.501 298 3HD2 LEU 36 HD23 LEU 36 -1.080 -0.650 -0.699 299 H LEU 37 HN LEU 37 -2.739 -5.087 1.467 300 HA LEU 37 HA LEU 37 -0.751 -5.441 3.468 301 1HB LEU 37 HB2 LEU 37 -2.920 -7.196 2.350 302 2HB LEU 37 HB1 LEU 37 -1.998 -7.633 3.785 303 HG LEU 37 HG LEU 37 -3.489 -5.010 3.494 304 1HD1 LEU 37 HD11 LEU 37 -4.372 -7.493 4.995 305 2HD1 LEU 37 HD12 LEU 37 -5.020 -7.002 3.431 306 3HD1 LEU 37 HD13 LEU 37 -5.258 -5.976 4.845 307 1HD2 LEU 37 HD21 LEU 37 -2.563 -4.493 5.491 308 2HD2 LEU 37 HD22 LEU 37 -1.530 -5.910 5.318 309 3HD2 LEU 37 HD23 LEU 37 -3.061 -6.035 6.184 310 H SER 38 HN SER 38 -1.231 -7.117 0.363 311 HA SER 38 HA SER 38 0.814 -9.093 0.711 312 1HB SER 38 HB2 SER 38 0.520 -9.455 -1.626 313 2HB SER 38 HB1 SER 38 -1.047 -8.887 -1.059 314 HG SER 38 HG SER 38 -0.605 -7.652 -2.799 315 H LEU 39 HN LEU 39 0.942 -5.674 -0.160 316 HA LEU 39 HA LEU 39 3.617 -5.651 -1.251 317 1HB LEU 39 HB2 LEU 39 2.064 -3.500 0.241 318 2HB LEU 39 HB1 LEU 39 3.450 -3.225 -0.812 319 HG LEU 39 HG LEU 39 0.789 -4.401 -1.678 320 1HD1 LEU 39 HD11 LEU 39 1.429 -1.741 -1.182 321 2HD1 LEU 39 HD12 LEU 39 0.131 -2.309 -2.229 322 3HD1 LEU 39 HD13 LEU 39 1.701 -1.905 -2.917 323 1HD2 LEU 39 HD21 LEU 39 1.868 -3.940 -3.984 324 2HD2 LEU 39 HD22 LEU 39 2.460 -5.340 -3.090 325 3HD2 LEU 39 HD23 LEU 39 3.396 -3.845 -3.109 326 H LYS 40 HN LYS 40 2.427 -4.625 1.977 327 HA LYS 40 HA LYS 40 5.019 -4.441 3.185 328 1HB LYS 40 HB2 LYS 40 3.715 -4.344 5.261 329 2HB LYS 40 HB1 LYS 40 2.901 -3.433 4.002 330 1HG LYS 40 HG2 LYS 40 1.344 -5.248 3.604 331 2HG LYS 40 HG1 LYS 40 2.202 -6.280 4.749 332 1HD LYS 40 HD2 LYS 40 0.315 -5.385 5.926 333 2HD LYS 40 HD1 LYS 40 1.733 -4.518 6.515 334 1HE LYS 40 HE2 LYS 40 0.535 -3.241 4.153 335 2HE LYS 40 HE1 LYS 40 -0.565 -3.309 5.544 336 1HZ LYS 40 HZ1 LYS 40 2.203 -2.240 5.482 337 2HZ LYS 40 HZ2 LYS 40 1.362 -2.551 6.924 338 3HZ LYS 40 HZ3 LYS 40 0.778 -1.390 5.830 339 H ALA 41 HN ALA 41 2.722 -7.059 2.801 340 HA ALA 41 HA ALA 41 3.891 -9.021 4.514 341 1HB ALA 41 HB1 ALA 41 1.663 -9.090 3.344 342 2HB ALA 41 HB2 ALA 41 2.590 -10.577 3.160 343 3HB ALA 41 HB3 ALA 41 2.516 -9.415 1.835 344 H GLU 42 HN GLU 42 4.413 -8.447 1.000 345 HA GLU 42 HA GLU 42 6.477 -10.437 0.705 346 1HB GLU 42 HB2 GLU 42 5.684 -7.943 -0.821 347 2HB GLU 42 HB1 GLU 42 6.932 -9.055 -1.392 348 1HG GLU 42 HG2 GLU 42 5.313 -10.914 -1.333 349 2HG GLU 42 HG1 GLU 42 4.062 -9.812 -0.764 350 H TYR 43 HN TYR 43 6.547 -6.967 1.430 351 HA TYR 43 HA TYR 43 9.360 -6.525 1.333 352 1HB TYR 43 HB2 TYR 43 7.036 -5.117 1.933 353 2HB TYR 43 HB1 TYR 43 7.895 -5.128 3.473 354 HD1 TYR 43 HD1 TYR 43 8.932 -3.065 3.763 355 HD2 TYR 43 HD2 TYR 43 9.113 -4.972 -0.082 356 HE1 TYR 43 HE1 TYR 43 10.420 -1.263 2.939 357 HE2 TYR 43 HE2 TYR 43 10.605 -3.170 -0.904 358 HH TYR 43 HH TYR 43 12.087 -1.485 -0.080 359 H LYS 44 HN LYS 44 7.279 -7.717 3.962 360 HA LYS 44 HA LYS 44 9.188 -7.734 6.067 361 1HB LYS 44 HB2 LYS 44 6.735 -9.361 5.400 362 2HB LYS 44 HB1 LYS 44 7.627 -9.621 6.900 363 1HG LYS 44 HG2 LYS 44 6.750 -6.853 6.088 364 2HG LYS 44 HG1 LYS 44 5.648 -7.938 6.937 365 1HD LYS 44 HD2 LYS 44 8.434 -7.413 7.969 366 2HD LYS 44 HD1 LYS 44 7.090 -6.349 8.380 367 1HE LYS 44 HE2 LYS 44 6.034 -7.960 9.676 368 2HE LYS 44 HE1 LYS 44 6.712 -9.305 8.737 369 1HZ LYS 44 HZ1 LYS 44 7.847 -9.115 10.858 370 2HZ LYS 44 HZ2 LYS 44 8.232 -7.491 10.538 371 3HZ LYS 44 HZ3 LYS 44 8.911 -8.730 9.594 372 H GLU 45 HN GLU 45 8.485 -10.213 3.598 373 HA GLU 45 HA GLU 45 10.106 -12.301 4.634 374 1HB GLU 45 HB2 GLU 45 9.102 -11.473 1.932 375 2HB GLU 45 HB1 GLU 45 10.239 -12.817 2.049 376 1HG GLU 45 HG2 GLU 45 8.213 -13.939 2.272 377 2HG GLU 45 HG1 GLU 45 8.615 -13.629 3.961 378 H LYS 46 HN LYS 46 11.018 -9.549 2.525 379 HA LYS 46 HA LYS 46 13.679 -10.462 1.979 380 1HB LYS 46 HB2 LYS 46 12.393 -7.721 2.099 381 2HB LYS 46 HB1 LYS 46 14.027 -7.992 1.497 382 1HG LYS 46 HG2 LYS 46 13.136 -9.559 -0.202 383 2HG LYS 46 HG1 LYS 46 11.502 -9.259 0.393 384 1HD LYS 46 HD2 LYS 46 11.734 -6.863 -0.160 385 2HD LYS 46 HD1 LYS 46 13.366 -7.162 -0.758 386 1HE LYS 46 HE2 LYS 46 11.033 -8.716 -1.881 387 2HE LYS 46 HE1 LYS 46 11.439 -7.106 -2.508 388 1HZ LYS 46 HZ1 LYS 46 13.437 -9.275 -2.166 389 2HZ LYS 46 HZ2 LYS 46 13.643 -7.796 -2.978 390 3HZ LYS 46 HZ3 LYS 46 12.623 -8.990 -3.626 391 H THR 47 HN THR 47 12.687 -7.879 4.305 392 HA THR 47 HA THR 47 14.627 -8.896 6.285 393 HB THR 47 HB THR 47 15.668 -6.449 6.177 394 HG1 THR 47 HG1 THR 47 14.965 -6.912 3.475 395 1HG2 THR 47 HG21 THR 47 17.504 -7.501 5.352 396 2HG2 THR 47 HG22 THR 47 16.647 -8.088 3.927 397 3HG2 THR 47 HG23 THR 47 16.503 -8.949 5.460 398 H GLY 48 HN GLY 48 11.646 -7.642 5.870 399 1HA GLY 48 HA2 GLY 48 10.143 -6.603 7.362 400 2HA GLY 48 HA1 GLY 48 11.381 -6.777 8.609 401 H GLN 49 HN GLN 49 11.175 -4.935 5.544 402 HA GLN 49 HA GLN 49 12.613 -2.687 6.756 403 1HB GLN 49 HB2 GLN 49 11.376 -3.280 4.067 404 2HB GLN 49 HB1 GLN 49 12.203 -1.764 4.411 405 1HG GLN 49 HG2 GLN 49 14.254 -2.988 4.969 406 2HG GLN 49 HG1 GLN 49 13.428 -4.524 4.702 407 1HE2 GLN 49 HE21 GLN 49 15.757 -3.199 3.191 408 2HE2 GLN 49 HE22 GLN 49 15.253 -3.198 1.570 409 H GLU 50 HN GLU 50 9.260 -3.535 6.257 410 HA GLU 50 HA GLU 50 7.265 -2.214 6.290 411 1HB GLU 50 HB2 GLU 50 7.087 -1.328 8.651 412 2HB GLU 50 HB1 GLU 50 7.625 -2.998 8.517 413 1HG GLU 50 HG2 GLU 50 9.956 -2.300 8.841 414 2HG GLU 50 HG1 GLU 50 9.459 -0.612 8.922 415 H TYR 51 HN TYR 51 7.642 -0.656 4.582 416 HA TYR 51 HA TYR 51 9.082 1.757 4.773 417 1HB TYR 51 HB2 TYR 51 7.628 2.459 2.903 418 2HB TYR 51 HB1 TYR 51 8.110 0.773 2.721 419 HD1 TYR 51 HD1 TYR 51 5.342 3.050 3.580 420 HD2 TYR 51 HD2 TYR 51 6.489 -1.038 2.955 421 HE1 TYR 51 HE1 TYR 51 2.954 2.396 3.510 422 HE2 TYR 51 HE2 TYR 51 4.098 -1.696 2.885 423 HH TYR 51 HH TYR 51 1.952 -0.922 3.558 424 H LYS 52 HN LYS 52 8.518 3.880 5.398 425 HA LYS 52 HA LYS 52 6.781 4.178 7.676 426 1HB LYS 52 HB2 LYS 52 8.094 6.159 5.789 427 2HB LYS 52 HB1 LYS 52 7.343 6.604 7.322 428 1HG LYS 52 HG2 LYS 52 8.890 4.943 8.449 429 2HG LYS 52 HG1 LYS 52 9.735 4.794 6.907 430 1HD LYS 52 HD2 LYS 52 10.373 7.094 6.920 431 2HD LYS 52 HD1 LYS 52 9.263 7.466 8.239 432 1HE LYS 52 HE2 LYS 52 10.742 5.573 9.468 433 2HE LYS 52 HE1 LYS 52 11.961 6.208 8.344 434 1HZ LYS 52 HZ1 LYS 52 10.250 7.835 10.151 435 2HZ LYS 52 HZ2 LYS 52 11.383 8.453 9.046 436 3HZ LYS 52 HZ3 LYS 52 11.903 7.528 10.372 437 HA PRO 53 HA PRO 53 2.938 5.008 5.697 438 1HB PRO 53 HB2 PRO 53 1.738 6.696 7.479 439 2HB PRO 53 HB1 PRO 53 1.947 4.959 7.777 440 1HG PRO 53 HG2 PRO 53 3.500 7.260 8.828 441 2HG PRO 53 HG1 PRO 53 3.057 5.739 9.617 442 1HD PRO 53 HD2 PRO 53 5.542 6.281 8.575 443 2HD PRO 53 HD1 PRO 53 4.885 4.646 8.812 444 H GLY 54 HN GLY 54 5.152 7.616 6.282 445 1HA GLY 54 HA2 GLY 54 3.468 9.656 4.986 446 2HA GLY 54 HA1 GLY 54 5.128 9.861 5.514 447 H ASN 55 HN ASN 55 3.777 7.446 3.205 448 HA ASN 55 HA ASN 55 4.436 6.975 0.977 449 1HB ASN 55 HB2 ASN 55 3.900 9.791 1.372 450 2HB ASN 55 HB1 ASN 55 5.159 9.610 0.151 451 1HD2 ASN 55 HD21 ASN 55 2.206 7.664 0.933 452 2HD2 ASN 55 HD22 ASN 55 1.596 7.693 -0.656 453 HA PRO 56 HA PRO 56 8.838 6.824 0.576 454 1HB PRO 56 HB2 PRO 56 9.462 7.708 -1.948 455 2HB PRO 56 HB1 PRO 56 8.735 6.126 -1.619 456 1HG PRO 56 HG2 PRO 56 7.458 8.627 -2.582 457 2HG PRO 56 HG1 PRO 56 7.133 6.946 -3.030 458 1HD PRO 56 HD2 PRO 56 5.563 8.371 -1.335 459 2HD PRO 56 HD1 PRO 56 5.729 6.606 -1.258 460 HA PRO 57 HA PRO 57 10.359 10.811 1.694 461 1HB PRO 57 HB2 PRO 57 13.059 10.391 1.593 462 2HB PRO 57 HB1 PRO 57 12.027 9.743 2.884 463 1HG PRO 57 HG2 PRO 57 13.117 8.383 0.472 464 2HG PRO 57 HG1 PRO 57 12.936 7.775 2.125 465 1HD PRO 57 HD2 PRO 57 11.224 7.142 0.104 466 2HD PRO 57 HD1 PRO 57 10.741 7.203 1.815 Start of MODEL 16 1 2H ASP 1 HN2 ASP 1 17.434 0.342 -6.757 2 H ASP 1 H ASP 1 17.792 0.898 -8.321 3 HA ASP 1 HA ASP 1 15.707 2.267 -8.221 4 1HB ASP 1 HB2 ASP 1 14.363 0.239 -8.756 5 2HB ASP 1 HB1 ASP 1 15.972 0.165 -9.471 6 H SER 2 HN SER 2 16.649 2.071 -5.370 7 HA SER 2 HA SER 2 14.694 0.844 -3.689 8 1HB SER 2 HB2 SER 2 16.511 3.248 -3.340 9 2HB SER 2 HB1 SER 2 15.638 2.480 -2.016 10 HG SER 2 HG SER 2 17.774 1.539 -3.567 11 H LEU 3 HN LEU 3 14.838 4.116 -5.105 12 HA LEU 3 HA LEU 3 12.600 5.272 -3.759 13 1HB LEU 3 HB2 LEU 3 14.316 6.430 -5.164 14 2HB LEU 3 HB1 LEU 3 13.596 5.707 -6.596 15 HG LEU 3 HG LEU 3 11.439 6.825 -6.056 16 1HD1 LEU 3 HD11 LEU 3 13.029 7.618 -3.660 17 2HD1 LEU 3 HD12 LEU 3 11.305 7.272 -3.798 18 3HD1 LEU 3 HD13 LEU 3 11.937 8.831 -4.330 19 1HD2 LEU 3 HD21 LEU 3 12.275 9.184 -6.483 20 2HD2 LEU 3 HD22 LEU 3 12.905 7.970 -7.596 21 3HD2 LEU 3 HD23 LEU 3 13.912 8.564 -6.277 22 H VAL 4 HN VAL 4 12.801 3.544 -6.855 23 HA VAL 4 HA VAL 4 10.071 3.717 -7.641 24 HB VAL 4 HB VAL 4 12.196 1.591 -8.074 25 1HG1 VAL 4 HG11 VAL 4 10.862 1.108 -10.175 26 2HG1 VAL 4 HG12 VAL 4 9.559 2.073 -9.483 27 3HG1 VAL 4 HG13 VAL 4 10.089 0.598 -8.675 28 1HG2 VAL 4 HG21 VAL 4 12.933 3.739 -8.866 29 2HG2 VAL 4 HG22 VAL 4 11.367 4.067 -9.606 30 3HG2 VAL 4 HG23 VAL 4 12.415 2.819 -10.278 31 H LEU 5 HN LEU 5 11.721 1.305 -5.579 32 HA LEU 5 HA LEU 5 9.571 -0.544 -5.283 33 1HB LEU 5 HB2 LEU 5 11.860 0.304 -3.488 34 2HB LEU 5 HB1 LEU 5 10.824 -1.079 -3.132 35 HG LEU 5 HG LEU 5 12.346 -0.742 -5.731 36 1HD1 LEU 5 HD11 LEU 5 14.098 -1.990 -4.867 37 2HD1 LEU 5 HD12 LEU 5 13.082 -2.761 -3.649 38 3HD1 LEU 5 HD13 LEU 5 13.621 -1.098 -3.422 39 1HD2 LEU 5 HD21 LEU 5 10.686 -2.934 -4.480 40 2HD2 LEU 5 HD22 LEU 5 11.863 -3.280 -5.746 41 3HD2 LEU 5 HD23 LEU 5 10.506 -2.203 -6.075 42 H TYR 6 HN TYR 6 10.459 2.240 -3.203 43 HA TYR 6 HA TYR 6 8.338 1.991 -1.315 44 1HB TYR 6 HB2 TYR 6 10.164 4.138 -2.304 45 2HB TYR 6 HB1 TYR 6 8.803 4.614 -1.289 46 HD1 TYR 6 HD1 TYR 6 8.477 3.447 0.934 47 HD2 TYR 6 HD2 TYR 6 12.086 3.120 -1.358 48 HE1 TYR 6 HE1 TYR 6 9.688 2.695 2.964 49 HE2 TYR 6 HE2 TYR 6 13.304 2.362 0.666 50 HH TYR 6 HH TYR 6 12.258 2.791 3.701 51 H ASN 7 HN ASN 7 8.472 3.714 -4.427 52 HA ASN 7 HA ASN 7 5.975 5.075 -4.265 53 1HB ASN 7 HB2 ASN 7 7.552 3.906 -6.573 54 2HB ASN 7 HB1 ASN 7 6.153 4.953 -6.790 55 1HD2 ASN 7 HD21 ASN 7 8.807 5.708 -7.654 56 2HD2 ASN 7 HD22 ASN 7 9.291 7.045 -6.728 57 H ARG 8 HN ARG 8 6.757 1.771 -5.366 58 HA ARG 8 HA ARG 8 4.206 1.052 -6.412 59 1HB ARG 8 HB2 ARG 8 6.417 -0.493 -5.026 60 2HB ARG 8 HB1 ARG 8 5.054 -1.279 -5.822 61 1HG ARG 8 HG2 ARG 8 6.725 0.758 -7.284 62 2HG ARG 8 HG1 ARG 8 7.231 -0.929 -7.194 63 1HD ARG 8 HD2 ARG 8 4.977 -1.592 -8.100 64 2HD ARG 8 HD1 ARG 8 4.639 0.132 -8.360 65 HE ARG 8 HE ARG 8 6.952 -1.297 -9.618 66 1HH1 ARG 8 HH11 ARG 8 4.063 -0.178 -10.585 67 2HH1 ARG 8 HH12 ARG 8 4.638 1.046 -11.666 68 1HH2 ARG 8 HH21 ARG 8 7.920 0.853 -10.559 69 2HH2 ARG 8 HH22 ARG 8 6.825 1.629 -11.653 70 H VAL 9 HN VAL 9 5.513 0.504 -3.099 71 HA VAL 9 HA VAL 9 3.025 -0.526 -2.069 72 HB VAL 9 HB VAL 9 4.145 -0.206 0.118 73 1HG1 VAL 9 HG11 VAL 9 5.465 -2.009 -0.244 74 2HG1 VAL 9 HG12 VAL 9 6.409 -1.192 -1.489 75 3HG1 VAL 9 HG13 VAL 9 4.856 -1.923 -1.895 76 1HG2 VAL 9 HG21 VAL 9 6.351 1.113 -1.489 77 2HG2 VAL 9 HG22 VAL 9 6.386 0.764 0.232 78 3HG2 VAL 9 HG23 VAL 9 5.260 1.961 -0.396 79 H ALA 10 HN ALA 10 4.513 2.692 -2.119 80 HA ALA 10 HA ALA 10 2.611 4.088 -0.515 81 1HB ALA 10 HB1 ALA 10 4.581 5.241 -1.039 82 2HB ALA 10 HB2 ALA 10 3.426 6.008 -2.128 83 3HB ALA 10 HB3 ALA 10 4.522 4.767 -2.737 84 H VAL 11 HN VAL 11 2.598 3.240 -3.963 85 HA VAL 11 HA VAL 11 0.396 4.823 -4.816 86 HB VAL 11 HB VAL 11 1.587 2.179 -5.690 87 1HG1 VAL 11 HG11 VAL 11 -0.669 2.060 -6.507 88 2HG1 VAL 11 HG12 VAL 11 0.332 2.586 -7.863 89 3HG1 VAL 11 HG13 VAL 11 -0.651 3.759 -6.984 90 1HG2 VAL 11 HG21 VAL 11 2.971 3.460 -6.955 91 2HG2 VAL 11 HG22 VAL 11 2.472 4.789 -5.912 92 3HG2 VAL 11 HG23 VAL 11 1.666 4.534 -7.459 93 H GLN 12 HN GLN 12 0.340 1.387 -3.667 94 HA GLN 12 HA GLN 12 -2.485 1.055 -3.920 95 1HB GLN 12 HB2 GLN 12 -0.220 -0.224 -2.489 96 2HB GLN 12 HB1 GLN 12 -1.823 -0.580 -1.847 97 1HG GLN 12 HG2 GLN 12 -1.857 -2.190 -3.465 98 2HG GLN 12 HG1 GLN 12 -2.277 -0.850 -4.530 99 1HE2 GLN 12 HE21 GLN 12 -0.690 -3.309 -5.214 100 2HE2 GLN 12 HE22 GLN 12 0.809 -2.742 -5.769 101 H GLY 13 HN GLY 13 -0.603 1.883 -0.990 102 1HA GLY 13 HA2 GLY 13 -2.506 2.243 0.945 103 2HA GLY 13 HA1 GLY 13 -1.149 3.374 0.769 104 H ASP 14 HN ASP 14 -1.585 4.827 -1.331 105 HA ASP 14 HA ASP 14 -3.634 6.694 -0.595 106 1HB ASP 14 HB2 ASP 14 -1.897 6.281 -3.036 107 2HB ASP 14 HB1 ASP 14 -2.955 7.682 -2.851 108 H VAL 15 HN VAL 15 -3.528 4.185 -3.143 109 HA VAL 15 HA VAL 15 -5.891 4.946 -4.546 110 HB VAL 15 HB VAL 15 -4.513 2.288 -4.033 111 1HG1 VAL 15 HG11 VAL 15 -6.789 1.734 -4.665 112 2HG1 VAL 15 HG12 VAL 15 -5.762 1.499 -6.079 113 3HG1 VAL 15 HG13 VAL 15 -6.771 2.939 -5.953 114 1HG2 VAL 15 HG21 VAL 15 -3.411 2.683 -6.077 115 2HG2 VAL 15 HG22 VAL 15 -3.446 4.276 -5.320 116 3HG2 VAL 15 HG23 VAL 15 -4.602 3.879 -6.590 117 H VAL 16 HN VAL 16 -5.457 2.887 -1.660 118 HA VAL 16 HA VAL 16 -8.170 2.023 -1.362 119 HB VAL 16 HB VAL 16 -5.907 2.579 0.585 120 1HG1 VAL 16 HG11 VAL 16 -7.123 1.219 2.220 121 2HG1 VAL 16 HG12 VAL 16 -8.467 1.029 1.094 122 3HG1 VAL 16 HG13 VAL 16 -8.097 2.617 1.766 123 1HG2 VAL 16 HG21 VAL 16 -6.954 -0.112 -0.245 124 2HG2 VAL 16 HG22 VAL 16 -5.338 0.331 0.307 125 3HG2 VAL 16 HG23 VAL 16 -5.867 0.771 -1.317 126 H ARG 17 HN ARG 17 -6.471 4.849 0.075 127 HA ARG 17 HA ARG 17 -8.709 6.000 1.428 128 1HB ARG 17 HB2 ARG 17 -6.259 6.585 1.637 129 2HB ARG 17 HB1 ARG 17 -6.378 7.408 0.082 130 1HG ARG 17 HG2 ARG 17 -8.260 8.793 1.076 131 2HG ARG 17 HG1 ARG 17 -7.847 8.094 2.641 132 1HD ARG 17 HD2 ARG 17 -6.638 10.157 2.547 133 2HD ARG 17 HD1 ARG 17 -5.432 8.915 2.156 134 HE ARG 17 HE ARG 17 -6.761 10.702 0.176 135 1HH1 ARG 17 HH21 ARG 17 -3.737 10.183 0.923 136 2HH1 ARG 17 HH22 ARG 17 -3.221 9.413 -0.540 137 1HH2 ARG 17 HH11 ARG 17 -6.441 8.867 -1.703 138 2HH2 ARG 17 HH12 ARG 17 -4.752 8.672 -2.029 139 H GLU 18 HN GLU 18 -7.450 6.500 -1.864 140 HA GLU 18 HA GLU 18 -9.233 8.549 -2.716 141 1HB GLU 18 HB2 GLU 18 -7.133 7.669 -3.819 142 2HB GLU 18 HB1 GLU 18 -8.075 6.285 -4.362 143 1HG GLU 18 HG2 GLU 18 -9.634 7.791 -5.535 144 2HG GLU 18 HG1 GLU 18 -8.700 9.184 -4.998 145 H LEU 19 HN LEU 19 -9.501 5.003 -3.077 146 HA LEU 19 HA LEU 19 -11.980 4.938 -4.466 147 1HB LEU 19 HB2 LEU 19 -10.659 3.055 -2.527 148 2HB LEU 19 HB1 LEU 19 -12.079 2.613 -3.466 149 HG LEU 19 HG LEU 19 -9.470 3.583 -4.669 150 1HD1 LEU 19 HD11 LEU 19 -8.840 1.491 -3.904 151 2HD1 LEU 19 HD12 LEU 19 -9.576 1.036 -5.441 152 3HD1 LEU 19 HD13 LEU 19 -10.489 0.866 -3.942 153 1HD2 LEU 19 HD21 LEU 19 -10.703 2.278 -6.648 154 2HD2 LEU 19 HD22 LEU 19 -11.027 3.981 -6.329 155 3HD2 LEU 19 HD23 LEU 19 -12.136 2.746 -5.732 156 H LYS 20 HN LYS 20 -11.334 4.849 -0.961 157 HA LYS 20 HA LYS 20 -14.059 4.588 -0.134 158 1HB LYS 20 HB2 LYS 20 -11.766 4.266 1.113 159 2HB LYS 20 HB1 LYS 20 -11.927 5.985 1.472 160 1HG LYS 20 HG2 LYS 20 -12.924 4.794 3.312 161 2HG LYS 20 HG1 LYS 20 -14.250 5.474 2.366 162 1HD LYS 20 HD2 LYS 20 -14.648 3.345 1.275 163 2HD LYS 20 HD1 LYS 20 -13.204 2.652 2.010 164 1HE LYS 20 HE2 LYS 20 -14.200 2.861 4.246 165 2HE LYS 20 HE1 LYS 20 -15.640 3.628 3.547 166 1HZ LYS 20 HZ1 LYS 20 -15.862 1.642 2.100 167 2HZ LYS 20 HZ2 LYS 20 -16.074 1.299 3.750 168 3HZ LYS 20 HZ3 LYS 20 -14.616 0.898 2.977 169 H ALA 21 HN ALA 21 -11.946 7.378 -0.684 170 HA ALA 21 HA ALA 21 -13.789 9.422 0.169 171 1HB ALA 21 HB1 ALA 21 -12.295 10.880 -1.148 172 2HB ALA 21 HB2 ALA 21 -11.610 9.469 -1.954 173 3HB ALA 21 HB3 ALA 21 -11.342 9.716 -0.228 174 H LYS 22 HN LYS 22 -13.458 7.469 -2.724 175 HA LYS 22 HA LYS 22 -15.325 9.131 -4.298 176 1HB LYS 22 HB2 LYS 22 -13.818 6.540 -4.732 177 2HB LYS 22 HB1 LYS 22 -14.891 7.242 -5.946 178 1HG LYS 22 HG2 LYS 22 -13.577 9.268 -6.037 179 2HG LYS 22 HG1 LYS 22 -12.586 8.741 -4.679 180 1HD LYS 22 HD2 LYS 22 -11.266 8.247 -6.575 181 2HD LYS 22 HD1 LYS 22 -11.998 6.699 -6.150 182 1HE LYS 22 HE2 LYS 22 -13.526 6.788 -7.940 183 2HE LYS 22 HE1 LYS 22 -13.349 8.545 -8.121 184 1HZ LYS 22 HZ1 LYS 22 -10.956 8.113 -8.633 185 2HZ LYS 22 HZ2 LYS 22 -12.039 7.544 -9.812 186 3HZ LYS 22 HZ3 LYS 22 -11.323 6.460 -8.717 187 H LYS 23 HN LYS 23 -15.937 7.272 -1.722 188 HA LYS 23 HA LYS 23 -17.805 6.082 -0.953 189 1HB LYS 23 HB2 LYS 23 -18.917 7.264 -3.499 190 2HB LYS 23 HB1 LYS 23 -19.900 6.489 -2.265 191 1HG LYS 23 HG2 LYS 23 -19.100 8.131 -0.596 192 2HG LYS 23 HG1 LYS 23 -18.137 8.923 -1.846 193 1HD LYS 23 HD2 LYS 23 -21.129 8.540 -2.088 194 2HD LYS 23 HD1 LYS 23 -20.407 9.984 -1.378 195 1HE LYS 23 HE2 LYS 23 -19.312 10.563 -3.434 196 2HE LYS 23 HE1 LYS 23 -19.685 8.982 -4.150 197 1HZ LYS 23 HZ1 LYS 23 -21.693 10.977 -3.240 198 2HZ LYS 23 HZ2 LYS 23 -22.038 9.461 -3.925 199 3HZ LYS 23 HZ3 LYS 23 -21.286 10.666 -4.857 200 H ALA 24 HN ALA 24 -15.872 4.904 -3.061 201 HA ALA 24 HA ALA 24 -17.232 3.075 -4.757 202 1HB ALA 24 HB1 ALA 24 -14.708 3.714 -4.473 203 2HB ALA 24 HB2 ALA 24 -15.106 2.069 -4.968 204 3HB ALA 24 HB3 ALA 24 -14.680 2.406 -3.291 205 HA PRO 25 HA PRO 25 -18.928 0.102 -1.991 206 1HB PRO 25 HB2 PRO 25 -18.476 -2.275 -3.272 207 2HB PRO 25 HB1 PRO 25 -19.686 -1.097 -3.821 208 1HG PRO 25 HG2 PRO 25 -16.928 -1.590 -4.840 209 2HG PRO 25 HG1 PRO 25 -18.419 -1.257 -5.737 210 1HD PRO 25 HD2 PRO 25 -16.530 0.632 -5.273 211 2HD PRO 25 HD1 PRO 25 -18.261 1.013 -5.423 212 H LYS 26 HN LYS 26 -18.340 -1.696 -0.519 213 HA LYS 26 HA LYS 26 -15.795 -1.467 0.703 214 1HB LYS 26 HB2 LYS 26 -17.884 -3.666 0.656 215 2HB LYS 26 HB1 LYS 26 -16.502 -3.681 1.754 216 1HG LYS 26 HG2 LYS 26 -17.207 -1.498 2.674 217 2HG LYS 26 HG1 LYS 26 -18.591 -1.487 1.581 218 1HD LYS 26 HD2 LYS 26 -19.437 -3.561 2.623 219 2HD LYS 26 HD1 LYS 26 -18.055 -3.570 3.720 220 1HE LYS 26 HE2 LYS 26 -18.805 -1.665 4.889 221 2HE LYS 26 HE1 LYS 26 -19.872 -1.161 3.563 222 1HZ LYS 26 HZ1 LYS 26 -21.140 -2.241 5.322 223 2HZ LYS 26 HZ2 LYS 26 -20.175 -3.633 5.189 224 3HZ LYS 26 HZ3 LYS 26 -21.182 -3.168 3.902 225 H GLU 27 HN GLU 27 -16.852 -3.427 -2.003 226 HA GLU 27 HA GLU 27 -14.796 -5.398 -2.090 227 1HB GLU 27 HB2 GLU 27 -16.891 -5.362 -3.418 228 2HB GLU 27 HB1 GLU 27 -16.272 -3.989 -4.338 229 1HG GLU 27 HG2 GLU 27 -15.774 -5.891 -5.675 230 2HG GLU 27 HG1 GLU 27 -14.256 -5.472 -4.883 231 H ASP 28 HN ASP 28 -14.870 -2.064 -3.400 232 HA ASP 28 HA ASP 28 -12.296 -2.240 -4.723 233 1HB ASP 28 HB2 ASP 28 -14.169 -0.058 -3.820 234 2HB ASP 28 HB1 ASP 28 -12.594 0.353 -4.499 235 H VAL 29 HN VAL 29 -13.329 -0.968 -1.538 236 HA VAL 29 HA VAL 29 -10.702 -0.059 -0.744 237 HB VAL 29 HB VAL 29 -13.141 -0.878 0.873 238 1HG1 VAL 29 HG11 VAL 29 -11.157 -0.735 2.288 239 2HG1 VAL 29 HG12 VAL 29 -12.177 0.673 2.580 240 3HG1 VAL 29 HG13 VAL 29 -10.731 0.824 1.582 241 1HG2 VAL 29 HG21 VAL 29 -13.902 1.344 0.665 242 2HG2 VAL 29 HG22 VAL 29 -13.322 0.962 -0.956 243 3HG2 VAL 29 HG23 VAL 29 -12.327 1.931 0.131 244 H ASP 30 HN ASP 30 -12.597 -2.956 0.169 245 HA ASP 30 HA ASP 30 -10.608 -4.215 1.763 246 1HB ASP 30 HB2 ASP 30 -12.910 -5.241 0.086 247 2HB ASP 30 HB1 ASP 30 -11.987 -6.278 1.176 248 H ALA 31 HN ALA 31 -11.311 -4.600 -1.728 249 HA ALA 31 HA ALA 31 -9.327 -6.596 -2.248 250 1HB ALA 31 HB1 ALA 31 -10.479 -4.420 -4.025 251 2HB ALA 31 HB2 ALA 31 -11.202 -6.005 -3.745 252 3HB ALA 31 HB3 ALA 31 -9.662 -5.876 -4.596 253 H ALA 32 HN ALA 32 -9.195 -3.043 -2.584 254 HA ALA 32 HA ALA 32 -6.457 -2.938 -3.472 255 1HB ALA 32 HB1 ALA 32 -8.014 -0.836 -1.931 256 2HB ALA 32 HB2 ALA 32 -8.288 -1.173 -3.640 257 3HB ALA 32 HB3 ALA 32 -6.722 -0.566 -3.102 258 H VAL 33 HN VAL 33 -7.931 -2.592 -0.211 259 HA VAL 33 HA VAL 33 -5.434 -2.107 1.136 260 HB VAL 33 HB VAL 33 -8.023 -1.881 1.793 261 1HG1 VAL 33 HG11 VAL 33 -8.650 -4.190 1.980 262 2HG1 VAL 33 HG12 VAL 33 -8.553 -3.550 3.614 263 3HG1 VAL 33 HG13 VAL 33 -7.250 -4.556 2.988 264 1HG2 VAL 33 HG21 VAL 33 -5.662 -2.356 3.602 265 2HG2 VAL 33 HG22 VAL 33 -7.229 -1.847 4.231 266 3HG2 VAL 33 HG23 VAL 33 -6.360 -0.819 3.091 267 H LYS 34 HN LYS 34 -7.192 -5.047 0.214 268 HA LYS 34 HA LYS 34 -5.605 -6.982 1.624 269 1HB LYS 34 HB2 LYS 34 -7.750 -7.430 0.453 270 2HB LYS 34 HB1 LYS 34 -6.966 -7.112 -1.095 271 1HG LYS 34 HG2 LYS 34 -5.410 -8.987 -0.696 272 2HG LYS 34 HG1 LYS 34 -6.195 -9.309 0.851 273 1HD LYS 34 HD2 LYS 34 -8.327 -9.729 -0.317 274 2HD LYS 34 HD1 LYS 34 -7.541 -9.411 -1.864 275 1HE LYS 34 HE2 LYS 34 -6.361 -11.413 -1.830 276 2HE LYS 34 HE1 LYS 34 -6.337 -11.485 -0.056 277 1HZ LYS 34 HZ1 LYS 34 -8.651 -11.963 -0.008 278 2HZ LYS 34 HZ2 LYS 34 -7.954 -13.040 -1.122 279 3HZ LYS 34 HZ3 LYS 34 -8.818 -11.686 -1.673 280 H GLN 35 HN GLN 35 -5.278 -5.449 -1.555 281 HA GLN 35 HA GLN 35 -2.907 -6.768 -2.473 282 1HB GLN 35 HB2 GLN 35 -4.610 -5.149 -3.637 283 2HB GLN 35 HB1 GLN 35 -3.607 -3.866 -2.965 284 1HG GLN 35 HG2 GLN 35 -1.662 -4.640 -4.139 285 2HG GLN 35 HG1 GLN 35 -2.475 -6.122 -4.635 286 1HE2 GLN 35 HE21 GLN 35 -1.396 -4.525 -6.666 287 2HE2 GLN 35 HE22 GLN 35 -2.646 -3.761 -7.524 288 H LEU 36 HN LEU 36 -3.479 -3.902 -0.512 289 HA LEU 36 HA LEU 36 -0.872 -2.852 -0.211 290 1HB LEU 36 HB2 LEU 36 -3.470 -2.568 0.903 291 2HB LEU 36 HB1 LEU 36 -2.381 -2.778 2.264 292 HG LEU 36 HG LEU 36 -2.275 -0.661 0.110 293 1HD1 LEU 36 HD11 LEU 36 -2.149 0.697 2.370 294 2HD1 LEU 36 HD12 LEU 36 -2.841 -0.773 3.054 295 3HD1 LEU 36 HD13 LEU 36 -3.702 0.099 1.786 296 1HD2 LEU 36 HD21 LEU 36 0.001 -0.853 0.337 297 2HD2 LEU 36 HD22 LEU 36 -0.129 -1.747 1.851 298 3HD2 LEU 36 HD23 LEU 36 -0.279 0.009 1.849 299 H LEU 37 HN LEU 37 -2.500 -5.394 1.713 300 HA LEU 37 HA LEU 37 -0.437 -5.850 3.620 301 1HB LEU 37 HB2 LEU 37 -2.538 -7.604 2.373 302 2HB LEU 37 HB1 LEU 37 -1.565 -8.116 3.748 303 HG LEU 37 HG LEU 37 -3.209 -5.572 3.737 304 1HD1 LEU 37 HD11 LEU 37 -4.849 -6.832 5.086 305 2HD1 LEU 37 HD12 LEU 37 -3.900 -8.303 4.868 306 3HD1 LEU 37 HD13 LEU 37 -4.679 -7.543 3.480 307 1HD2 LEU 37 HD21 LEU 37 -1.677 -7.156 5.805 308 2HD2 LEU 37 HD22 LEU 37 -2.958 -6.040 6.275 309 3HD2 LEU 37 HD23 LEU 37 -1.538 -5.441 5.417 310 H SER 38 HN SER 38 -0.990 -7.221 0.404 311 HA SER 38 HA SER 38 1.091 -9.172 0.384 312 1HB SER 38 HB2 SER 38 -0.791 -8.848 -1.273 313 2HB SER 38 HB1 SER 38 0.074 -7.450 -1.904 314 HG SER 38 HG SER 38 0.744 -9.117 -3.142 315 H LEU 39 HN LEU 39 1.105 -5.687 -0.167 316 HA LEU 39 HA LEU 39 3.753 -5.465 -1.271 317 1HB LEU 39 HB2 LEU 39 2.138 -3.497 0.401 318 2HB LEU 39 HB1 LEU 39 3.476 -3.086 -0.669 319 HG LEU 39 HG LEU 39 0.846 -4.326 -1.533 320 1HD1 LEU 39 HD11 LEU 39 1.395 -1.678 -0.896 321 2HD1 LEU 39 HD12 LEU 39 0.073 -2.247 -1.913 322 3HD1 LEU 39 HD13 LEU 39 1.588 -1.731 -2.648 323 1HD2 LEU 39 HD21 LEU 39 1.923 -3.522 -3.825 324 2HD2 LEU 39 HD22 LEU 39 2.338 -5.098 -3.149 325 3HD2 LEU 39 HD23 LEU 39 3.431 -3.730 -2.934 326 H LYS 40 HN LYS 40 2.605 -4.780 2.071 327 HA LYS 40 HA LYS 40 5.200 -4.534 3.272 328 1HB LYS 40 HB2 LYS 40 2.507 -5.437 4.338 329 2HB LYS 40 HB1 LYS 40 3.882 -5.038 5.356 330 1HG LYS 40 HG2 LYS 40 3.934 -2.764 4.387 331 2HG LYS 40 HG1 LYS 40 2.550 -3.175 3.376 332 1HD LYS 40 HD2 LYS 40 1.188 -3.588 5.394 333 2HD LYS 40 HD1 LYS 40 2.572 -3.172 6.406 334 1HE LYS 40 HE2 LYS 40 2.624 -0.907 5.289 335 2HE LYS 40 HE1 LYS 40 1.094 -1.333 4.497 336 1HZ LYS 40 HZ1 LYS 40 1.644 -1.153 7.406 337 2HZ LYS 40 HZ2 LYS 40 0.269 -1.933 6.784 338 3HZ LYS 40 HZ3 LYS 40 0.505 -0.274 6.508 339 H ALA 41 HN ALA 41 3.154 -7.324 2.581 340 HA ALA 41 HA ALA 41 4.490 -9.299 4.133 341 1HB ALA 41 HB1 ALA 41 2.304 -9.469 2.880 342 2HB ALA 41 HB2 ALA 41 3.375 -10.848 2.632 343 3HB ALA 41 HB3 ALA 41 3.235 -9.606 1.388 344 H GLU 42 HN GLU 42 5.157 -8.121 0.790 345 HA GLU 42 HA GLU 42 7.332 -9.913 0.207 346 1HB GLU 42 HB2 GLU 42 6.668 -7.066 -0.624 347 2HB GLU 42 HB1 GLU 42 7.973 -8.001 -1.357 348 1HG GLU 42 HG2 GLU 42 6.354 -9.745 -2.018 349 2HG GLU 42 HG1 GLU 42 5.050 -8.809 -1.290 350 H TYR 43 HN TYR 43 7.231 -6.659 1.617 351 HA TYR 43 HA TYR 43 10.010 -6.359 2.239 352 1HB TYR 43 HB2 TYR 43 7.383 -5.224 3.167 353 2HB TYR 43 HB1 TYR 43 8.845 -4.793 4.049 354 HD1 TYR 43 HD1 TYR 43 7.039 -4.503 0.863 355 HD2 TYR 43 HD2 TYR 43 10.662 -3.536 2.945 356 HE1 TYR 43 HE1 TYR 43 7.613 -2.880 -0.911 357 HE2 TYR 43 HE2 TYR 43 11.242 -1.905 1.168 358 HH TYR 43 HH TYR 43 9.091 -0.716 -1.008 359 H LYS 44 HN LYS 44 7.297 -7.781 4.003 360 HA LYS 44 HA LYS 44 8.520 -8.259 6.523 361 1HB LYS 44 HB2 LYS 44 6.091 -8.428 5.874 362 2HB LYS 44 HB1 LYS 44 6.466 -9.956 5.078 363 1HG LYS 44 HG2 LYS 44 7.231 -10.915 7.184 364 2HG LYS 44 HG1 LYS 44 6.982 -9.374 8.006 365 1HD LYS 44 HD2 LYS 44 4.581 -9.482 7.546 366 2HD LYS 44 HD1 LYS 44 4.800 -10.985 6.649 367 1HE LYS 44 HE2 LYS 44 5.896 -10.936 9.420 368 2HE LYS 44 HE1 LYS 44 4.129 -10.976 9.260 369 1HZ LYS 44 HZ1 LYS 44 5.275 -13.208 9.190 370 2HZ LYS 44 HZ2 LYS 44 5.919 -12.744 7.688 371 3HZ LYS 44 HZ3 LYS 44 4.237 -12.876 7.892 372 H GLU 45 HN GLU 45 8.656 -10.122 3.512 373 HA GLU 45 HA GLU 45 9.679 -12.583 4.454 374 1HB GLU 45 HB2 GLU 45 10.189 -10.962 1.941 375 2HB GLU 45 HB1 GLU 45 10.733 -12.626 2.132 376 1HG GLU 45 HG2 GLU 45 7.852 -11.898 2.624 377 2HG GLU 45 HG1 GLU 45 8.432 -12.209 0.987 378 H LYS 46 HN LYS 46 11.407 -9.550 3.722 379 HA LYS 46 HA LYS 46 14.071 -10.556 4.142 380 1HB LYS 46 HB2 LYS 46 12.778 -7.819 4.342 381 2HB LYS 46 HB1 LYS 46 14.521 -8.065 4.438 382 1HG LYS 46 HG2 LYS 46 14.488 -9.124 2.203 383 2HG LYS 46 HG1 LYS 46 12.745 -8.862 2.112 384 1HD LYS 46 HD2 LYS 46 13.102 -6.425 2.327 385 2HD LYS 46 HD1 LYS 46 14.843 -6.693 2.388 386 1HE LYS 46 HE2 LYS 46 14.838 -7.612 0.130 387 2HE LYS 46 HE1 LYS 46 13.067 -7.508 0.062 388 1HZ LYS 46 HZ1 LYS 46 13.258 -5.112 0.497 389 2HZ LYS 46 HZ2 LYS 46 14.021 -5.555 -0.955 390 3HZ LYS 46 HZ3 LYS 46 14.949 -5.235 0.431 391 H THR 47 HN THR 47 12.491 -8.164 6.275 392 HA THR 47 HA THR 47 12.869 -9.828 8.673 393 HB THR 47 HB THR 47 15.139 -8.996 8.225 394 HG1 THR 47 HG1 THR 47 15.289 -8.689 10.278 395 1HG2 THR 47 HG21 THR 47 13.773 -6.292 8.175 396 2HG2 THR 47 HG22 THR 47 14.678 -7.055 6.868 397 3HG2 THR 47 HG23 THR 47 15.520 -6.495 8.313 398 H GLY 48 HN GLY 48 10.694 -8.262 7.282 399 1HA GLY 48 HA2 GLY 48 8.842 -6.992 8.000 400 2HA GLY 48 HA1 GLY 48 9.525 -7.019 9.625 401 H GLN 49 HN GLN 49 10.151 -5.521 6.433 402 HA GLN 49 HA GLN 49 11.516 -3.248 7.718 403 1HB GLN 49 HB2 GLN 49 10.878 -4.074 4.881 404 2HB GLN 49 HB1 GLN 49 11.735 -2.584 5.274 405 1HG GLN 49 HG2 GLN 49 13.474 -3.869 6.439 406 2HG GLN 49 HG1 GLN 49 12.613 -5.369 6.089 407 1HE2 GLN 49 HE21 GLN 49 15.341 -4.496 5.139 408 2HE2 GLN 49 HE22 GLN 49 15.260 -4.561 3.445 409 H GLU 50 HN GLU 50 8.366 -3.968 6.319 410 HA GLU 50 HA GLU 50 6.533 -2.552 5.733 411 1HB GLU 50 HB2 GLU 50 5.719 -1.555 7.905 412 2HB GLU 50 HB1 GLU 50 6.186 -3.249 7.991 413 1HG GLU 50 HG2 GLU 50 8.342 -2.639 8.981 414 2HG GLU 50 HG1 GLU 50 7.948 -0.928 8.843 415 H TYR 51 HN TYR 51 7.106 -0.992 4.185 416 HA TYR 51 HA TYR 51 8.796 1.233 4.502 417 1HB TYR 51 HB2 TYR 51 7.694 2.054 2.492 418 2HB TYR 51 HB1 TYR 51 7.804 0.298 2.390 419 HD1 TYR 51 HD1 TYR 51 5.573 3.173 2.757 420 HD2 TYR 51 HD2 TYR 51 5.788 -1.111 2.725 421 HE1 TYR 51 HE1 TYR 51 3.108 3.056 2.550 422 HE2 TYR 51 HE2 TYR 51 3.324 -1.233 2.508 423 HH TYR 51 HH TYR 51 1.388 1.586 1.882 424 H LYS 52 HN LYS 52 8.572 3.268 5.314 425 HA LYS 52 HA LYS 52 6.600 3.887 7.308 426 1HB LYS 52 HB2 LYS 52 8.760 5.305 5.778 427 2HB LYS 52 HB1 LYS 52 7.679 6.262 6.788 428 1HG LYS 52 HG2 LYS 52 9.028 3.785 7.855 429 2HG LYS 52 HG1 LYS 52 9.844 5.349 7.877 430 1HD LYS 52 HD2 LYS 52 7.853 6.298 9.076 431 2HD LYS 52 HD1 LYS 52 7.198 4.663 9.180 432 1HE LYS 52 HE2 LYS 52 9.280 3.947 10.378 433 2HE LYS 52 HE1 LYS 52 9.813 5.640 10.379 434 1HZ LYS 52 HZ1 LYS 52 7.881 6.291 11.561 435 2HZ LYS 52 HZ2 LYS 52 8.523 4.956 12.394 436 3HZ LYS 52 HZ3 LYS 52 7.166 4.763 11.390 437 HA PRO 53 HA PRO 53 3.290 5.597 4.990 438 1HB PRO 53 HB2 PRO 53 2.781 8.062 6.097 439 2HB PRO 53 HB1 PRO 53 2.333 6.528 6.874 440 1HG PRO 53 HG2 PRO 53 4.705 8.273 7.368 441 2HG PRO 53 HG1 PRO 53 3.656 7.443 8.530 442 1HD PRO 53 HD2 PRO 53 6.070 6.470 7.861 443 2HD PRO 53 HD1 PRO 53 4.696 5.399 8.218 444 H GLY 54 HN GLY 54 6.032 7.812 5.419 445 1HA GLY 54 HA2 GLY 54 5.377 9.333 2.989 446 2HA GLY 54 HA1 GLY 54 6.840 9.488 3.951 447 H ASN 55 HN ASN 55 6.545 6.233 3.458 448 HA ASN 55 HA ASN 55 7.926 4.768 2.253 449 1HB ASN 55 HB2 ASN 55 7.198 4.666 -0.080 450 2HB ASN 55 HB1 ASN 55 5.824 5.036 0.961 451 1HD2 ASN 55 HD21 ASN 55 4.833 7.137 0.755 452 2HD2 ASN 55 HD22 ASN 55 5.268 8.229 -0.478 453 HA PRO 56 HA PRO 56 11.029 8.136 0.998 454 1HB PRO 56 HB2 PRO 56 12.779 7.862 3.094 455 2HB PRO 56 HB1 PRO 56 11.438 9.025 3.093 456 1HG PRO 56 HG2 PRO 56 11.612 6.345 4.383 457 2HG PRO 56 HG1 PRO 56 10.907 7.849 4.997 458 1HD PRO 56 HD2 PRO 56 9.405 5.837 3.983 459 2HD PRO 56 HD1 PRO 56 8.940 7.549 3.862 460 HA PRO 57 HA PRO 57 13.467 4.825 -0.662 461 1HB PRO 57 HB2 PRO 57 15.723 6.200 -1.409 462 2HB PRO 57 HB1 PRO 57 14.197 6.272 -2.314 463 1HG PRO 57 HG2 PRO 57 15.306 8.196 -0.320 464 2HG PRO 57 HG1 PRO 57 14.496 8.515 -1.863 465 1HD PRO 57 HD2 PRO 57 13.211 8.748 0.492 466 2HD PRO 57 HD1 PRO 57 12.388 8.182 -0.981 Start of MODEL 17 1 2H ASP 1 HN2 ASP 1 18.239 2.887 -5.897 2 H ASP 1 H ASP 1 18.238 1.225 -5.550 3 HA ASP 1 HA ASP 1 16.383 2.748 -7.283 4 1HB ASP 1 HB2 ASP 1 15.667 0.578 -8.204 5 2HB ASP 1 HB1 ASP 1 17.377 0.840 -8.537 6 H SER 2 HN SER 2 16.968 2.436 -4.304 7 HA SER 2 HA SER 2 14.999 0.729 -3.094 8 1HB SER 2 HB2 SER 2 15.551 2.002 -1.098 9 2HB SER 2 HB1 SER 2 17.027 1.788 -2.035 10 HG SER 2 HG SER 2 16.789 3.876 -2.814 11 H LEU 3 HN LEU 3 14.908 4.102 -4.196 12 HA LEU 3 HA LEU 3 12.400 4.906 -3.090 13 1HB LEU 3 HB2 LEU 3 14.083 6.364 -4.180 14 2HB LEU 3 HB1 LEU 3 13.739 5.608 -5.727 15 HG LEU 3 HG LEU 3 11.310 6.334 -5.385 16 1HD1 LEU 3 HD11 LEU 3 12.660 7.606 -3.047 17 2HD1 LEU 3 HD12 LEU 3 11.020 6.974 -3.189 18 3HD1 LEU 3 HD13 LEU 3 11.422 8.546 -3.881 19 1HD2 LEU 3 HD21 LEU 3 13.034 7.454 -6.879 20 2HD2 LEU 3 HD22 LEU 3 13.319 8.596 -5.565 21 3HD2 LEU 3 HD23 LEU 3 11.731 8.507 -6.327 22 H VAL 4 HN VAL 4 13.227 3.270 -6.108 23 HA VAL 4 HA VAL 4 10.696 3.213 -7.385 24 HB VAL 4 HB VAL 4 12.909 1.130 -7.305 25 1HG1 VAL 4 HG11 VAL 4 11.903 0.998 -9.808 26 2HG1 VAL 4 HG12 VAL 4 10.439 1.443 -8.931 27 3HG1 VAL 4 HG13 VAL 4 11.319 -0.020 -8.492 28 1HG2 VAL 4 HG21 VAL 4 12.517 3.725 -8.767 29 2HG2 VAL 4 HG22 VAL 4 13.399 2.419 -9.560 30 3HG2 VAL 4 HG23 VAL 4 13.979 3.072 -8.027 31 H LEU 5 HN LEU 5 12.084 0.905 -5.018 32 HA LEU 5 HA LEU 5 9.911 -0.953 -4.948 33 1HB LEU 5 HB2 LEU 5 11.915 -0.033 -2.855 34 2HB LEU 5 HB1 LEU 5 10.889 -1.455 -2.669 35 HG LEU 5 HG LEU 5 12.845 -1.026 -4.948 36 1HD1 LEU 5 HD11 LEU 5 13.218 -3.175 -2.922 37 2HD1 LEU 5 HD12 LEU 5 13.579 -1.529 -2.401 38 3HD1 LEU 5 HD13 LEU 5 14.424 -2.220 -3.786 39 1HD2 LEU 5 HD21 LEU 5 11.322 -2.529 -5.829 40 2HD2 LEU 5 HD22 LEU 5 10.832 -3.122 -4.242 41 3HD2 LEU 5 HD23 LEU 5 12.356 -3.656 -4.951 42 H TYR 6 HN TYR 6 10.565 1.966 -3.013 43 HA TYR 6 HA TYR 6 8.304 1.884 -1.283 44 1HB TYR 6 HB2 TYR 6 10.228 3.901 -2.337 45 2HB TYR 6 HB1 TYR 6 8.771 4.523 -1.565 46 HD1 TYR 6 HD1 TYR 6 11.960 2.825 -1.054 47 HD2 TYR 6 HD2 TYR 6 8.243 3.916 0.777 48 HE1 TYR 6 HE1 TYR 6 12.937 2.383 1.182 49 HE2 TYR 6 HE2 TYR 6 9.210 3.475 3.016 50 HH TYR 6 HH TYR 6 11.050 2.125 3.987 51 H ASN 7 HN ASN 7 8.686 3.370 -4.506 52 HA ASN 7 HA ASN 7 6.192 4.720 -4.638 53 1HB ASN 7 HB2 ASN 7 7.921 3.410 -6.755 54 2HB ASN 7 HB1 ASN 7 6.592 4.510 -7.116 55 1HD2 ASN 7 HD21 ASN 7 6.894 6.493 -5.172 56 2HD2 ASN 7 HD22 ASN 7 8.399 7.255 -5.351 57 H ARG 8 HN ARG 8 7.009 1.361 -5.541 58 HA ARG 8 HA ARG 8 4.524 0.661 -6.742 59 1HB ARG 8 HB2 ARG 8 6.574 -0.910 -5.159 60 2HB ARG 8 HB1 ARG 8 5.272 -1.658 -6.083 61 1HG ARG 8 HG2 ARG 8 6.084 -0.548 -8.134 62 2HG ARG 8 HG1 ARG 8 7.387 0.199 -7.210 63 1HD ARG 8 HD2 ARG 8 8.303 -1.771 -8.285 64 2HD ARG 8 HD1 ARG 8 8.121 -2.158 -6.562 65 HE ARG 8 HE ARG 8 5.725 -2.972 -7.444 66 1HH1 ARG 8 HH11 ARG 8 7.755 -5.077 -7.119 67 2HH1 ARG 8 HH12 ARG 8 7.850 -5.771 -8.702 68 1HH2 ARG 8 HH21 ARG 8 6.291 -3.088 -10.253 69 2HH2 ARG 8 HH22 ARG 8 7.020 -4.642 -10.481 70 H VAL 9 HN VAL 9 5.584 0.204 -3.339 71 HA VAL 9 HA VAL 9 2.997 -0.750 -2.457 72 HB VAL 9 HB VAL 9 4.002 -0.460 -0.215 73 1HG1 VAL 9 HG11 VAL 9 4.826 -2.458 -0.904 74 2HG1 VAL 9 HG12 VAL 9 6.356 -1.594 -1.038 75 3HG1 VAL 9 HG13 VAL 9 5.344 -1.819 -2.464 76 1HG2 VAL 9 HG21 VAL 9 6.235 0.508 0.046 77 2HG2 VAL 9 HG22 VAL 9 5.152 1.710 -0.643 78 3HG2 VAL 9 HG23 VAL 9 6.309 0.871 -1.675 79 H ALA 10 HN ALA 10 4.626 2.396 -2.482 80 HA ALA 10 HA ALA 10 2.707 3.932 -1.038 81 1HB ALA 10 HB1 ALA 10 3.802 5.822 -2.164 82 2HB ALA 10 HB2 ALA 10 4.482 4.729 -3.370 83 3HB ALA 10 HB3 ALA 10 5.010 4.627 -1.691 84 H VAL 11 HN VAL 11 2.877 3.050 -4.487 85 HA VAL 11 HA VAL 11 0.785 4.718 -5.459 86 HB VAL 11 HB VAL 11 1.955 2.045 -6.273 87 1HG1 VAL 11 HG11 VAL 11 -0.109 3.674 -7.794 88 2HG1 VAL 11 HG12 VAL 11 -0.356 2.062 -7.119 89 3HG1 VAL 11 HG13 VAL 11 0.782 2.299 -8.447 90 1HG2 VAL 11 HG21 VAL 11 3.232 3.295 -7.767 91 2HG2 VAL 11 HG22 VAL 11 3.083 4.432 -6.426 92 3HG2 VAL 11 HG23 VAL 11 2.049 4.600 -7.842 93 H GLN 12 HN GLN 12 0.587 1.299 -4.323 94 HA GLN 12 HA GLN 12 -2.239 1.022 -4.660 95 1HB GLN 12 HB2 GLN 12 -0.477 -0.749 -4.207 96 2HB GLN 12 HB1 GLN 12 -0.495 -0.233 -2.519 97 1HG GLN 12 HG2 GLN 12 -2.002 -2.110 -2.723 98 2HG GLN 12 HG1 GLN 12 -2.982 -0.659 -2.500 99 1HE2 GLN 12 HE21 GLN 12 -4.669 -0.467 -3.976 100 2HE2 GLN 12 HE22 GLN 12 -4.694 -1.157 -5.527 101 H GLY 13 HN GLY 13 -0.402 1.755 -1.682 102 1HA GLY 13 HA2 GLY 13 -2.272 2.149 0.253 103 2HA GLY 13 HA1 GLY 13 -0.915 3.276 0.069 104 H ASP 14 HN ASP 14 -1.366 4.765 -1.994 105 HA ASP 14 HA ASP 14 -3.361 6.644 -1.207 106 1HB ASP 14 HB2 ASP 14 -1.760 6.173 -3.729 107 2HB ASP 14 HB1 ASP 14 -2.817 7.572 -3.537 108 H VAL 15 HN VAL 15 -3.427 4.099 -3.717 109 HA VAL 15 HA VAL 15 -5.861 4.849 -5.000 110 HB VAL 15 HB VAL 15 -4.592 2.134 -4.482 111 1HG1 VAL 15 HG11 VAL 15 -7.067 2.192 -5.261 112 2HG1 VAL 15 HG12 VAL 15 -5.934 1.221 -6.197 113 3HG1 VAL 15 HG13 VAL 15 -6.424 2.810 -6.782 114 1HG2 VAL 15 HG21 VAL 15 -3.250 2.520 -6.310 115 2HG2 VAL 15 HG22 VAL 15 -3.461 4.191 -5.786 116 3HG2 VAL 15 HG23 VAL 15 -4.444 3.549 -7.101 117 H VAL 16 HN VAL 16 -5.279 2.772 -2.156 118 HA VAL 16 HA VAL 16 -7.985 1.960 -1.706 119 HB VAL 16 HB VAL 16 -5.574 2.383 0.090 120 1HG1 VAL 16 HG11 VAL 16 -8.346 1.487 0.738 121 2HG1 VAL 16 HG12 VAL 16 -7.161 2.302 1.759 122 3HG1 VAL 16 HG13 VAL 16 -7.019 0.571 1.454 123 1HG2 VAL 16 HG21 VAL 16 -5.165 0.083 -0.248 124 2HG2 VAL 16 HG22 VAL 16 -5.666 0.654 -1.840 125 3HG2 VAL 16 HG23 VAL 16 -6.809 -0.215 -0.816 126 H ARG 17 HN ARG 17 -6.129 4.732 -0.391 127 HA ARG 17 HA ARG 17 -8.206 5.868 1.197 128 1HB ARG 17 HB2 ARG 17 -5.801 6.465 1.284 129 2HB ARG 17 HB1 ARG 17 -5.933 7.205 -0.311 130 1HG ARG 17 HG2 ARG 17 -7.488 8.864 0.511 131 2HG ARG 17 HG1 ARG 17 -7.598 8.056 2.074 132 1HD ARG 17 HD2 ARG 17 -5.159 8.501 2.436 133 2HD ARG 17 HD1 ARG 17 -5.141 9.424 0.920 134 HE ARG 17 HE ARG 17 -7.266 10.539 2.244 135 1HH1 ARG 17 HH21 ARG 17 -5.074 9.298 4.333 136 2HH1 ARG 17 HH22 ARG 17 -4.487 10.805 4.951 137 1HH2 ARG 17 HH11 ARG 17 -6.065 12.717 2.528 138 2HH2 ARG 17 HH12 ARG 17 -5.048 12.741 3.930 139 H GLU 18 HN GLU 18 -7.362 6.383 -2.233 140 HA GLU 18 HA GLU 18 -9.224 8.482 -2.764 141 1HB GLU 18 HB2 GLU 18 -7.922 6.359 -4.437 142 2HB GLU 18 HB1 GLU 18 -8.897 7.641 -5.142 143 1HG GLU 18 HG2 GLU 18 -7.426 9.332 -4.144 144 2HG GLU 18 HG1 GLU 18 -6.464 8.066 -3.381 145 H LEU 19 HN LEU 19 -9.569 4.939 -3.032 146 HA LEU 19 HA LEU 19 -12.143 4.872 -4.241 147 1HB LEU 19 HB2 LEU 19 -10.695 3.061 -2.334 148 2HB LEU 19 HB1 LEU 19 -12.212 2.605 -3.100 149 HG LEU 19 HG LEU 19 -9.769 3.502 -4.650 150 1HD1 LEU 19 HD11 LEU 19 -9.177 1.235 -4.974 151 2HD1 LEU 19 HD12 LEU 19 -10.731 0.655 -4.377 152 3HD1 LEU 19 HD13 LEU 19 -9.550 1.327 -3.253 153 1HD2 LEU 19 HD21 LEU 19 -11.218 1.985 -6.330 154 2HD2 LEU 19 HD22 LEU 19 -11.526 3.711 -6.136 155 3HD2 LEU 19 HD23 LEU 19 -12.523 2.535 -5.280 156 H LYS 20 HN LYS 20 -11.233 4.945 -0.810 157 HA LYS 20 HA LYS 20 -13.886 4.809 0.250 158 1HB LYS 20 HB2 LYS 20 -11.382 4.637 1.247 159 2HB LYS 20 HB1 LYS 20 -11.748 6.307 1.685 160 1HG LYS 20 HG2 LYS 20 -12.505 5.026 3.534 161 2HG LYS 20 HG1 LYS 20 -13.967 5.394 2.616 162 1HD LYS 20 HD2 LYS 20 -13.977 3.207 1.600 163 2HD LYS 20 HD1 LYS 20 -12.380 2.840 2.250 164 1HE LYS 20 HE2 LYS 20 -13.470 3.248 4.584 165 2HE LYS 20 HE1 LYS 20 -15.006 3.028 3.725 166 1HZ LYS 20 HZ1 LYS 20 -14.363 0.878 4.355 167 2HZ LYS 20 HZ2 LYS 20 -12.737 1.136 3.937 168 3HZ LYS 20 HZ3 LYS 20 -13.915 0.981 2.722 169 H ALA 21 HN ALA 21 -11.749 7.474 -0.663 170 HA ALA 21 HA ALA 21 -13.422 9.643 0.193 171 1HB ALA 21 HB1 ALA 21 -11.476 9.442 -2.136 172 2HB ALA 21 HB2 ALA 21 -11.021 9.792 -0.468 173 3HB ALA 21 HB3 ALA 21 -12.015 10.936 -1.370 174 H LYS 22 HN LYS 22 -13.559 7.426 -2.521 175 HA LYS 22 HA LYS 22 -15.504 9.075 -4.033 176 1HB LYS 22 HB2 LYS 22 -14.272 6.327 -4.378 177 2HB LYS 22 HB1 LYS 22 -15.440 7.008 -5.509 178 1HG LYS 22 HG2 LYS 22 -13.953 8.932 -5.903 179 2HG LYS 22 HG1 LYS 22 -12.780 8.261 -4.774 180 1HD LYS 22 HD2 LYS 22 -12.575 6.242 -6.186 181 2HD LYS 22 HD1 LYS 22 -13.738 6.928 -7.321 182 1HE LYS 22 HE2 LYS 22 -12.247 8.650 -7.990 183 2HE LYS 22 HE1 LYS 22 -11.199 8.399 -6.578 184 1HZ LYS 22 HZ1 LYS 22 -11.734 6.290 -8.595 185 2HZ LYS 22 HZ2 LYS 22 -10.563 6.276 -7.364 186 3HZ LYS 22 HZ3 LYS 22 -10.397 7.329 -8.687 187 H LYS 23 HN LYS 23 -15.865 7.465 -1.229 188 HA LYS 23 HA LYS 23 -17.679 6.476 -0.115 189 1HB LYS 23 HB2 LYS 23 -19.108 7.481 -2.580 190 2HB LYS 23 HB1 LYS 23 -19.899 6.983 -1.089 191 1HG LYS 23 HG2 LYS 23 -18.659 8.728 0.150 192 2HG LYS 23 HG1 LYS 23 -17.893 9.244 -1.352 193 1HD LYS 23 HD2 LYS 23 -20.895 9.179 -0.968 194 2HD LYS 23 HD1 LYS 23 -19.915 10.611 -0.656 195 1HE LYS 23 HE2 LYS 23 -19.202 10.727 -2.959 196 2HE LYS 23 HE1 LYS 23 -19.925 9.145 -3.316 197 1HZ LYS 23 HZ1 LYS 23 -21.484 11.423 -2.231 198 2HZ LYS 23 HZ2 LYS 23 -22.079 9.972 -2.883 199 3HZ LYS 23 HZ3 LYS 23 -21.344 11.122 -3.894 200 H ALA 24 HN ALA 24 -16.148 5.020 -2.383 201 HA ALA 24 HA ALA 24 -17.865 3.130 -3.663 202 1HB ALA 24 HB1 ALA 24 -15.811 1.947 -4.077 203 2HB ALA 24 HB2 ALA 24 -15.049 2.647 -2.649 204 3HB ALA 24 HB3 ALA 24 -15.391 3.660 -4.051 205 HA PRO 25 HA PRO 25 -18.960 0.403 -0.364 206 1HB PRO 25 HB2 PRO 25 -18.867 -2.064 -1.538 207 2HB PRO 25 HB1 PRO 25 -20.140 -0.878 -1.888 208 1HG PRO 25 HG2 PRO 25 -17.721 -1.580 -3.468 209 2HG PRO 25 HG1 PRO 25 -19.356 -1.185 -4.021 210 1HD PRO 25 HD2 PRO 25 -17.263 0.571 -4.087 211 2HD PRO 25 HD1 PRO 25 -18.968 1.067 -3.972 212 H LYS 26 HN LYS 26 -18.094 -1.277 1.083 213 HA LYS 26 HA LYS 26 -15.329 -1.079 1.656 214 1HB LYS 26 HB2 LYS 26 -17.441 -3.145 2.326 215 2HB LYS 26 HB1 LYS 26 -15.841 -3.128 3.071 216 1HG LYS 26 HG2 LYS 26 -16.234 -0.830 3.877 217 2HG LYS 26 HG1 LYS 26 -17.834 -0.844 3.136 218 1HD LYS 26 HD2 LYS 26 -18.484 -2.748 4.566 219 2HD LYS 26 HD1 LYS 26 -16.886 -2.733 5.311 220 1HE LYS 26 HE2 LYS 26 -17.314 -0.800 6.516 221 2HE LYS 26 HE1 LYS 26 -18.449 -0.175 5.302 222 1HZ LYS 26 HZ1 LYS 26 -19.735 -0.947 7.132 223 2HZ LYS 26 HZ2 LYS 26 -18.893 -2.421 7.193 224 3HZ LYS 26 HZ3 LYS 26 -19.922 -2.080 5.885 225 H GLU 27 HN GLU 27 -17.036 -3.326 -0.471 226 HA GLU 27 HA GLU 27 -15.114 -5.388 -0.720 227 1HB GLU 27 HB2 GLU 27 -17.095 -4.143 -2.635 228 2HB GLU 27 HB1 GLU 27 -16.168 -5.586 -3.048 229 1HG GLU 27 HG2 GLU 27 -17.085 -6.783 -1.142 230 2HG GLU 27 HG1 GLU 27 -17.914 -5.329 -0.587 231 H ASP 28 HN ASP 28 -15.293 -2.250 -2.419 232 HA ASP 28 HA ASP 28 -13.043 -2.751 -4.175 233 1HB ASP 28 HB2 ASP 28 -14.616 -0.369 -3.215 234 2HB ASP 28 HB1 ASP 28 -13.186 -0.131 -4.221 235 H VAL 29 HN VAL 29 -13.386 -1.047 -1.059 236 HA VAL 29 HA VAL 29 -10.635 -0.202 -0.878 237 HB VAL 29 HB VAL 29 -12.858 -0.622 1.143 238 1HG1 VAL 29 HG11 VAL 29 -11.219 1.238 2.277 239 2HG1 VAL 29 HG12 VAL 29 -10.030 0.198 1.495 240 3HG1 VAL 29 HG13 VAL 29 -11.159 -0.480 2.667 241 1HG2 VAL 29 HG21 VAL 29 -12.711 1.179 -0.884 242 2HG2 VAL 29 HG22 VAL 29 -11.853 2.065 0.377 243 3HG2 VAL 29 HG23 VAL 29 -13.506 1.518 0.653 244 H ASP 30 HN ASP 30 -12.378 -2.970 0.615 245 HA ASP 30 HA ASP 30 -10.168 -4.054 2.045 246 1HB ASP 30 HB2 ASP 30 -12.657 -5.247 0.797 247 2HB ASP 30 HB1 ASP 30 -11.567 -6.188 1.817 248 H ALA 31 HN ALA 31 -11.314 -4.731 -1.271 249 HA ALA 31 HA ALA 31 -9.394 -6.751 -1.915 250 1HB ALA 31 HB1 ALA 31 -11.274 -4.921 -3.298 251 2HB ALA 31 HB2 ALA 31 -11.046 -6.658 -3.503 252 3HB ALA 31 HB3 ALA 31 -9.948 -5.525 -4.291 253 H ALA 32 HN ALA 32 -9.360 -3.234 -2.544 254 HA ALA 32 HA ALA 32 -6.764 -3.149 -3.763 255 1HB ALA 32 HB1 ALA 32 -7.050 -0.670 -2.797 256 2HB ALA 32 HB2 ALA 32 -8.689 -1.243 -2.489 257 3HB ALA 32 HB3 ALA 32 -8.047 -1.252 -4.131 258 H VAL 33 HN VAL 33 -7.780 -2.653 -0.354 259 HA VAL 33 HA VAL 33 -5.102 -2.074 0.579 260 HB VAL 33 HB VAL 33 -7.584 -1.745 1.567 261 1HG1 VAL 33 HG11 VAL 33 -7.831 -3.224 3.604 262 2HG1 VAL 33 HG12 VAL 33 -6.638 -4.302 2.889 263 3HG1 VAL 33 HG13 VAL 33 -8.175 -4.017 2.071 264 1HG2 VAL 33 HG21 VAL 33 -5.269 -2.232 3.439 265 2HG2 VAL 33 HG22 VAL 33 -6.561 -1.041 3.594 266 3HG2 VAL 33 HG23 VAL 33 -5.330 -0.850 2.345 267 H LYS 34 HN LYS 34 -7.008 -5.036 0.158 268 HA LYS 34 HA LYS 34 -5.278 -6.880 1.520 269 1HB LYS 34 HB2 LYS 34 -7.578 -7.350 0.646 270 2HB LYS 34 HB1 LYS 34 -6.951 -7.239 -1.000 271 1HG LYS 34 HG2 LYS 34 -7.020 -9.581 -0.396 272 2HG LYS 34 HG1 LYS 34 -5.328 -9.081 -0.418 273 1HD LYS 34 HD2 LYS 34 -5.334 -8.811 2.007 274 2HD LYS 34 HD1 LYS 34 -7.055 -9.188 2.071 275 1HE LYS 34 HE2 LYS 34 -6.513 -11.444 1.052 276 2HE LYS 34 HE1 LYS 34 -4.796 -11.056 1.290 277 1HZ LYS 34 HZ1 LYS 34 -5.777 -12.224 3.214 278 2HZ LYS 34 HZ2 LYS 34 -6.864 -10.935 3.421 279 3HZ LYS 34 HZ3 LYS 34 -5.195 -10.682 3.614 280 H GLN 35 HN GLN 35 -5.340 -5.531 -1.729 281 HA GLN 35 HA GLN 35 -3.149 -6.944 -2.916 282 1HB GLN 35 HB2 GLN 35 -4.963 -5.311 -3.873 283 2HB GLN 35 HB1 GLN 35 -3.846 -4.038 -3.389 284 1HG GLN 35 HG2 GLN 35 -2.110 -4.892 -4.813 285 2HG GLN 35 HG1 GLN 35 -3.027 -6.362 -5.146 286 1HE2 GLN 35 HE21 GLN 35 -2.143 -4.619 -7.261 287 2HE2 GLN 35 HE22 GLN 35 -3.514 -3.923 -7.980 288 H LEU 36 HN LEU 36 -3.382 -4.004 -0.974 289 HA LEU 36 HA LEU 36 -0.705 -3.067 -1.065 290 1HB LEU 36 HB2 LEU 36 -3.126 -2.578 0.334 291 2HB LEU 36 HB1 LEU 36 -1.889 -2.783 1.563 292 HG LEU 36 HG LEU 36 -1.843 -0.839 -0.752 293 1HD1 LEU 36 HD11 LEU 36 -3.156 0.201 0.834 294 2HD1 LEU 36 HD12 LEU 36 -1.563 0.679 1.421 295 3HD1 LEU 36 HD13 LEU 36 -2.412 -0.672 2.173 296 1HD2 LEU 36 HD21 LEU 36 0.276 -0.017 0.351 297 2HD2 LEU 36 HD22 LEU 36 0.436 -1.624 -0.355 298 3HD2 LEU 36 HD23 LEU 36 0.231 -1.443 1.387 299 H LEU 37 HN LEU 37 -2.227 -5.401 1.188 300 HA LEU 37 HA LEU 37 -0.006 -5.905 2.869 301 1HB LEU 37 HB2 LEU 37 -2.422 -7.402 1.979 302 2HB LEU 37 HB1 LEU 37 -1.227 -8.242 2.965 303 HG LEU 37 HG LEU 37 -2.277 -5.535 3.781 304 1HD1 LEU 37 HD11 LEU 37 -4.328 -6.632 3.729 305 2HD1 LEU 37 HD12 LEU 37 -3.761 -7.092 5.334 306 3HD1 LEU 37 HD13 LEU 37 -3.602 -8.218 3.987 307 1HD2 LEU 37 HD21 LEU 37 -1.463 -7.826 5.556 308 2HD2 LEU 37 HD22 LEU 37 -1.397 -6.094 5.883 309 3HD2 LEU 37 HD23 LEU 37 -0.227 -6.830 4.787 310 H SER 38 HN SER 38 -0.869 -7.310 -0.268 311 HA SER 38 HA SER 38 1.159 -9.332 -0.374 312 1HB SER 38 HB2 SER 38 -0.774 -9.180 -1.903 313 2HB SER 38 HB1 SER 38 -0.146 -7.673 -2.563 314 HG SER 38 HG SER 38 0.416 -10.141 -3.310 315 H LEU 39 HN LEU 39 1.154 -5.893 -1.285 316 HA LEU 39 HA LEU 39 3.808 -5.810 -2.418 317 1HB LEU 39 HB2 LEU 39 2.278 -3.618 -0.963 318 2HB LEU 39 HB1 LEU 39 3.536 -3.393 -2.175 319 HG LEU 39 HG LEU 39 0.799 -4.621 -2.657 320 1HD1 LEU 39 HD11 LEU 39 1.369 -1.989 -2.368 321 2HD1 LEU 39 HD12 LEU 39 0.118 -2.601 -3.449 322 3HD1 LEU 39 HD13 LEU 39 1.711 -2.193 -4.086 323 1HD2 LEU 39 HD21 LEU 39 3.137 -4.080 -4.523 324 2HD2 LEU 39 HD22 LEU 39 1.519 -4.528 -5.062 325 3HD2 LEU 39 HD23 LEU 39 2.475 -5.661 -4.107 326 H LYS 40 HN LYS 40 2.559 -4.787 0.747 327 HA LYS 40 HA LYS 40 5.059 -4.280 2.022 328 1HB LYS 40 HB2 LYS 40 2.834 -3.548 2.817 329 2HB LYS 40 HB1 LYS 40 2.395 -5.226 3.135 330 1HG LYS 40 HG2 LYS 40 4.114 -5.423 4.825 331 2HG LYS 40 HG1 LYS 40 4.746 -3.824 4.429 332 1HD LYS 40 HD2 LYS 40 3.402 -3.446 6.337 333 2HD LYS 40 HD1 LYS 40 2.372 -2.964 4.988 334 1HE LYS 40 HE2 LYS 40 0.905 -4.348 6.168 335 2HE LYS 40 HE1 LYS 40 1.653 -5.538 5.083 336 1HZ LYS 40 HZ1 LYS 40 1.730 -6.168 7.479 337 2HZ LYS 40 HZ2 LYS 40 2.737 -4.828 7.755 338 3HZ LYS 40 HZ3 LYS 40 3.253 -6.088 6.738 339 H ALA 41 HN ALA 41 3.140 -7.231 1.666 340 HA ALA 41 HA ALA 41 4.514 -8.930 3.486 341 1HB ALA 41 HB1 ALA 41 2.881 -9.238 0.989 342 2HB ALA 41 HB2 ALA 41 2.521 -9.781 2.628 343 3HB ALA 41 HB3 ALA 41 3.692 -10.661 1.644 344 H GLU 42 HN GLU 42 5.154 -8.270 0.004 345 HA GLU 42 HA GLU 42 7.345 -10.096 -0.287 346 1HB GLU 42 HB2 GLU 42 6.621 -7.449 -1.582 347 2HB GLU 42 HB1 GLU 42 7.939 -8.471 -2.163 348 1HG GLU 42 HG2 GLU 42 5.070 -9.402 -1.848 349 2HG GLU 42 HG1 GLU 42 5.779 -8.872 -3.374 350 H TYR 43 HN TYR 43 7.284 -6.638 0.582 351 HA TYR 43 HA TYR 43 10.090 -6.284 1.025 352 1HB TYR 43 HB2 TYR 43 7.861 -4.728 0.999 353 2HB TYR 43 HB1 TYR 43 8.119 -4.851 2.740 354 HD1 TYR 43 HD1 TYR 43 8.753 -2.788 0.091 355 HD2 TYR 43 HD2 TYR 43 10.879 -4.785 3.244 356 HE1 TYR 43 HE1 TYR 43 10.565 -1.102 -0.064 357 HE2 TYR 43 HE2 TYR 43 12.691 -3.099 3.089 358 HH TYR 43 HH TYR 43 12.949 -0.910 0.492 359 H LYS 44 HN LYS 44 7.445 -7.341 3.144 360 HA LYS 44 HA LYS 44 8.821 -7.448 5.625 361 1HB LYS 44 HB2 LYS 44 6.361 -7.658 5.248 362 2HB LYS 44 HB1 LYS 44 6.629 -9.259 4.558 363 1HG LYS 44 HG2 LYS 44 7.620 -10.018 6.689 364 2HG LYS 44 HG1 LYS 44 7.352 -8.420 7.383 365 1HD LYS 44 HD2 LYS 44 4.917 -8.677 7.036 366 2HD LYS 44 HD1 LYS 44 5.187 -10.280 6.352 367 1HE LYS 44 HE2 LYS 44 6.133 -11.067 8.479 368 2HE LYS 44 HE1 LYS 44 5.949 -9.446 9.176 369 1HZ LYS 44 HZ1 LYS 44 4.048 -10.886 9.700 370 2HZ LYS 44 HZ2 LYS 44 3.736 -11.075 8.040 371 3HZ LYS 44 HZ3 LYS 44 3.586 -9.547 8.767 372 H GLU 45 HN GLU 45 8.581 -9.851 3.022 373 HA GLU 45 HA GLU 45 9.699 -12.096 4.330 374 1HB GLU 45 HB2 GLU 45 9.724 -11.114 1.471 375 2HB GLU 45 HB1 GLU 45 10.323 -12.709 1.928 376 1HG GLU 45 HG2 GLU 45 7.557 -11.710 2.648 377 2HG GLU 45 HG1 GLU 45 7.895 -12.662 1.201 378 H LYS 46 HN LYS 46 11.425 -9.436 2.633 379 HA LYS 46 HA LYS 46 14.032 -10.592 2.702 380 1HB LYS 46 HB2 LYS 46 13.079 -7.718 2.882 381 2HB LYS 46 HB1 LYS 46 14.742 -8.190 2.548 382 1HG LYS 46 HG2 LYS 46 13.906 -9.487 0.564 383 2HG LYS 46 HG1 LYS 46 12.307 -8.799 0.856 384 1HD LYS 46 HD2 LYS 46 13.791 -6.535 0.910 385 2HD LYS 46 HD1 LYS 46 14.759 -7.501 -0.204 386 1HE LYS 46 HE2 LYS 46 12.763 -7.899 -1.608 387 2HE LYS 46 HE1 LYS 46 11.788 -6.925 -0.489 388 1HZ LYS 46 HZ1 LYS 46 13.404 -5.102 -0.816 389 2HZ LYS 46 HZ2 LYS 46 12.569 -5.505 -2.239 390 3HZ LYS 46 HZ3 LYS 46 14.172 -6.022 -2.016 391 H THR 47 HN THR 47 12.582 -8.234 4.995 392 HA THR 47 HA THR 47 14.051 -9.483 7.241 393 HB THR 47 HB THR 47 14.520 -6.602 6.428 394 HG1 THR 47 HG1 THR 47 16.209 -7.276 5.336 395 1HG2 THR 47 HG21 THR 47 16.539 -7.025 7.982 396 2HG2 THR 47 HG22 THR 47 15.639 -8.433 8.545 397 3HG2 THR 47 HG23 THR 47 14.959 -6.817 8.737 398 H GLY 48 HN GLY 48 11.179 -8.341 6.280 399 1HA GLY 48 HA2 GLY 48 9.286 -7.637 7.493 400 2HA GLY 48 HA1 GLY 48 10.249 -7.781 8.959 401 H GLN 49 HN GLN 49 10.972 -5.733 6.139 402 HA GLN 49 HA GLN 49 11.322 -3.413 7.916 403 1HB GLN 49 HB2 GLN 49 11.669 -3.962 4.961 404 2HB GLN 49 HB1 GLN 49 12.016 -2.394 5.689 405 1HG GLN 49 HG2 GLN 49 13.703 -3.342 7.120 406 2HG GLN 49 HG1 GLN 49 13.244 -4.983 6.663 407 1HE2 GLN 49 HE21 GLN 49 13.898 -5.758 4.537 408 2HE2 GLN 49 HE22 GLN 49 15.050 -4.930 3.606 409 H GLU 50 HN GLU 50 8.850 -4.649 5.816 410 HA GLU 50 HA GLU 50 6.866 -3.783 4.938 411 1HB GLU 50 HB2 GLU 50 5.447 -2.980 6.713 412 2HB GLU 50 HB1 GLU 50 6.540 -4.194 7.371 413 1HG GLU 50 HG2 GLU 50 7.926 -2.502 8.384 414 2HG GLU 50 HG1 GLU 50 7.058 -1.212 7.553 415 H TYR 51 HN TYR 51 5.572 -1.894 4.328 416 HA TYR 51 HA TYR 51 7.199 0.221 3.218 417 1HB TYR 51 HB2 TYR 51 5.230 -0.601 2.089 418 2HB TYR 51 HB1 TYR 51 4.217 -0.272 3.492 419 HD1 TYR 51 HD1 TYR 51 6.844 1.947 1.992 420 HD2 TYR 51 HD2 TYR 51 2.650 1.280 2.652 421 HE1 TYR 51 HE1 TYR 51 6.339 4.213 1.119 422 HE2 TYR 51 HE2 TYR 51 2.153 3.545 1.779 423 HH TYR 51 HH TYR 51 4.427 5.402 0.089 424 H LYS 52 HN LYS 52 7.990 1.920 4.387 425 HA LYS 52 HA LYS 52 6.980 2.695 6.996 426 1HB LYS 52 HB2 LYS 52 8.887 3.923 4.983 427 2HB LYS 52 HB1 LYS 52 8.604 4.618 6.579 428 1HG LYS 52 HG2 LYS 52 9.073 2.007 7.235 429 2HG LYS 52 HG1 LYS 52 10.112 2.187 5.821 430 1HD LYS 52 HD2 LYS 52 11.445 2.816 7.709 431 2HD LYS 52 HD1 LYS 52 11.000 4.319 6.900 432 1HE LYS 52 HE2 LYS 52 10.365 4.933 9.029 433 2HE LYS 52 HE1 LYS 52 8.889 4.038 8.611 434 1HZ LYS 52 HZ1 LYS 52 9.809 2.049 9.525 435 2HZ LYS 52 HZ2 LYS 52 9.957 3.267 10.701 436 3HZ LYS 52 HZ3 LYS 52 11.311 2.789 9.793 437 HA PRO 53 HA PRO 53 3.804 5.445 5.602 438 1HB PRO 53 HB2 PRO 53 3.588 7.096 7.767 439 2HB PRO 53 HB1 PRO 53 2.977 5.430 7.754 440 1HG PRO 53 HG2 PRO 53 5.460 6.526 8.962 441 2HG PRO 53 HG1 PRO 53 4.383 5.251 9.550 442 1HD PRO 53 HD2 PRO 53 6.793 4.792 8.316 443 2HD PRO 53 HD1 PRO 53 5.450 3.628 8.359 444 H GLY 54 HN GLY 54 3.490 8.124 6.059 445 1HA GLY 54 HA2 GLY 54 4.259 10.266 5.501 446 2HA GLY 54 HA1 GLY 54 5.903 9.684 5.751 447 H ASN 55 HN ASN 55 3.967 7.864 3.523 448 HA ASN 55 HA ASN 55 4.185 7.539 1.197 449 1HB ASN 55 HB2 ASN 55 3.992 10.419 1.804 450 2HB ASN 55 HB1 ASN 55 4.681 10.081 0.217 451 1HD2 ASN 55 HD21 ASN 55 2.021 11.238 0.688 452 2HD2 ASN 55 HD22 ASN 55 0.884 10.138 0.059 453 HA PRO 56 HA PRO 56 8.414 7.298 0.029 454 1HB PRO 56 HB2 PRO 56 8.522 8.073 -2.605 455 2HB PRO 56 HB1 PRO 56 7.878 6.509 -2.070 456 1HG PRO 56 HG2 PRO 56 6.432 8.973 -2.880 457 2HG PRO 56 HG1 PRO 56 6.019 7.275 -3.158 458 1HD PRO 56 HD2 PRO 56 4.839 8.825 -1.251 459 2HD PRO 56 HD1 PRO 56 4.983 7.058 -1.132 460 HA PRO 57 HA PRO 57 10.167 11.301 0.671 461 1HB PRO 57 HB2 PRO 57 12.766 10.847 -0.069 462 2HB PRO 57 HB1 PRO 57 12.075 10.255 1.456 463 1HG PRO 57 HG2 PRO 57 12.497 8.804 -1.117 464 2HG PRO 57 HG1 PRO 57 12.787 8.258 0.544 465 1HD PRO 57 HD2 PRO 57 10.598 7.520 -0.850 466 2HD PRO 57 HD1 PRO 57 10.568 7.762 0.913 Start of MODEL 18 1 2H ASP 1 HN2 ASP 1 18.326 0.864 -4.701 2 H ASP 1 H ASP 1 19.123 1.840 -5.841 3 HA ASP 1 HA ASP 1 16.933 2.917 -6.337 4 1HB ASP 1 HB2 ASP 1 16.306 0.978 -7.758 5 2HB ASP 1 HB1 ASP 1 18.051 1.227 -7.740 6 H SER 2 HN SER 2 16.805 1.972 -3.419 7 HA SER 2 HA SER 2 14.465 0.303 -3.118 8 1HB SER 2 HB2 SER 2 15.880 2.278 -1.307 9 2HB SER 2 HB1 SER 2 14.611 1.184 -0.762 10 HG SER 2 HG SER 2 16.096 -0.283 -0.634 11 H LEU 3 HN LEU 3 14.820 3.636 -3.975 12 HA LEU 3 HA LEU 3 12.510 4.808 -2.791 13 1HB LEU 3 HB2 LEU 3 14.469 5.848 -4.078 14 2HB LEU 3 HB1 LEU 3 13.607 5.398 -5.545 15 HG LEU 3 HG LEU 3 12.209 6.951 -3.377 16 1HD1 LEU 3 HD11 LEU 3 14.387 8.085 -4.095 17 2HD1 LEU 3 HD12 LEU 3 12.914 9.026 -4.330 18 3HD1 LEU 3 HD13 LEU 3 13.673 8.218 -5.702 19 1HD2 LEU 3 HD21 LEU 3 11.796 6.253 -6.250 20 2HD2 LEU 3 HD22 LEU 3 11.214 7.827 -5.707 21 3HD2 LEU 3 HD23 LEU 3 10.620 6.355 -4.939 22 H VAL 4 HN VAL 4 12.909 3.105 -5.883 23 HA VAL 4 HA VAL 4 10.289 3.490 -6.918 24 HB VAL 4 HB VAL 4 12.407 2.575 -8.003 25 1HG1 VAL 4 HG11 VAL 4 12.736 0.781 -6.239 26 2HG1 VAL 4 HG12 VAL 4 12.900 0.248 -7.907 27 3HG1 VAL 4 HG13 VAL 4 11.421 -0.098 -7.013 28 1HG2 VAL 4 HG21 VAL 4 10.373 2.612 -9.269 29 2HG2 VAL 4 HG22 VAL 4 9.736 1.218 -8.396 30 3HG2 VAL 4 HG23 VAL 4 11.090 1.019 -9.508 31 H LEU 5 HN LEU 5 11.545 1.012 -4.724 32 HA LEU 5 HA LEU 5 9.285 -0.716 -4.606 33 1HB LEU 5 HB2 LEU 5 11.641 -0.008 -2.926 34 2HB LEU 5 HB1 LEU 5 10.337 -0.864 -2.108 35 HG LEU 5 HG LEU 5 12.032 -2.421 -3.041 36 1HD1 LEU 5 HD11 LEU 5 9.474 -2.866 -2.919 37 2HD1 LEU 5 HD12 LEU 5 10.474 -3.968 -3.865 38 3HD1 LEU 5 HD13 LEU 5 9.523 -2.724 -4.676 39 1HD2 LEU 5 HD21 LEU 5 12.400 -0.799 -5.077 40 2HD2 LEU 5 HD22 LEU 5 11.079 -1.712 -5.806 41 3HD2 LEU 5 HD23 LEU 5 12.559 -2.538 -5.318 42 H TYR 6 HN TYR 6 10.084 2.136 -2.590 43 HA TYR 6 HA TYR 6 7.815 2.049 -0.869 44 1HB TYR 6 HB2 TYR 6 9.631 4.229 -1.904 45 2HB TYR 6 HB1 TYR 6 8.350 4.575 -0.740 46 HD1 TYR 6 HD1 TYR 6 8.235 2.815 1.284 47 HD2 TYR 6 HD2 TYR 6 11.724 3.686 -1.061 48 HE1 TYR 6 HE1 TYR 6 9.677 1.962 3.115 49 HE2 TYR 6 HE2 TYR 6 13.168 2.835 0.770 50 HH TYR 6 HH TYR 6 12.381 0.913 2.984 51 H ASN 7 HN ASN 7 8.239 3.599 -4.058 52 HA ASN 7 HA ASN 7 5.758 4.996 -4.145 53 1HB ASN 7 HB2 ASN 7 7.527 3.741 -6.256 54 2HB ASN 7 HB1 ASN 7 6.127 4.732 -6.658 55 1HD2 ASN 7 HD21 ASN 7 8.776 5.560 -7.374 56 2HD2 ASN 7 HD22 ASN 7 9.167 6.941 -6.468 57 H ARG 8 HN ARG 8 6.563 1.640 -5.061 58 HA ARG 8 HA ARG 8 4.081 0.930 -6.257 59 1HB ARG 8 HB2 ARG 8 6.231 -0.346 -6.284 60 2HB ARG 8 HB1 ARG 8 5.957 -0.780 -4.596 61 1HG ARG 8 HG2 ARG 8 3.789 -1.829 -5.260 62 2HG ARG 8 HG1 ARG 8 4.174 -1.480 -6.946 63 1HD ARG 8 HD2 ARG 8 6.024 -3.087 -5.159 64 2HD ARG 8 HD1 ARG 8 4.785 -3.835 -6.188 65 HE ARG 8 HE ARG 8 5.947 -2.350 -8.046 66 1HH1 ARG 8 HH21 ARG 8 7.011 -5.129 -6.831 67 2HH1 ARG 8 HH22 ARG 8 8.710 -4.831 -6.984 68 1HH2 ARG 8 HH11 ARG 8 8.329 -1.447 -7.627 69 2HH2 ARG 8 HH12 ARG 8 9.456 -2.748 -7.434 70 H VAL 9 HN VAL 9 5.108 0.478 -2.824 71 HA VAL 9 HA VAL 9 2.548 -0.553 -1.986 72 HB VAL 9 HB VAL 9 3.470 -0.169 0.278 73 1HG1 VAL 9 HG11 VAL 9 4.400 -2.135 -0.395 74 2HG1 VAL 9 HG12 VAL 9 5.891 -1.195 -0.388 75 3HG1 VAL 9 HG13 VAL 9 5.016 -1.449 -1.898 76 1HG2 VAL 9 HG21 VAL 9 4.514 2.052 -0.156 77 2HG2 VAL 9 HG22 VAL 9 5.741 1.252 -1.136 78 3HG2 VAL 9 HG23 VAL 9 5.637 0.919 0.585 79 H ALA 10 HN ALA 10 4.015 2.669 -2.025 80 HA ALA 10 HA ALA 10 1.969 4.125 -0.664 81 1HB ALA 10 HB1 ALA 10 2.997 6.020 -2.115 82 2HB ALA 10 HB2 ALA 10 4.083 4.767 -2.715 83 3HB ALA 10 HB3 ALA 10 4.060 5.166 -0.997 84 H VAL 11 HN VAL 11 2.326 3.260 -4.107 85 HA VAL 11 HA VAL 11 0.254 4.895 -5.165 86 HB VAL 11 HB VAL 11 1.422 2.210 -5.963 87 1HG1 VAL 11 HG11 VAL 11 0.471 2.696 -8.236 88 2HG1 VAL 11 HG12 VAL 11 -0.460 4.011 -7.519 89 3HG1 VAL 11 HG13 VAL 11 -0.764 2.345 -7.026 90 1HG2 VAL 11 HG21 VAL 11 3.025 3.424 -7.026 91 2HG2 VAL 11 HG22 VAL 11 2.519 4.736 -5.964 92 3HG2 VAL 11 HG23 VAL 11 1.870 4.627 -7.599 93 H GLN 12 HN GLN 12 0.039 1.454 -4.061 94 HA GLN 12 HA GLN 12 -2.778 1.193 -4.517 95 1HB GLN 12 HB2 GLN 12 -0.860 -0.083 -2.541 96 2HB GLN 12 HB1 GLN 12 -2.521 -0.632 -2.765 97 1HG GLN 12 HG2 GLN 12 -0.405 -0.506 -4.936 98 2HG GLN 12 HG1 GLN 12 -0.960 -1.971 -4.131 99 1HE2 GLN 12 HE21 GLN 12 -1.273 -0.638 -7.028 100 2HE2 GLN 12 HE22 GLN 12 -2.906 -0.946 -7.375 101 H GLY 13 HN GLY 13 -0.997 2.023 -1.535 102 1HA GLY 13 HA2 GLY 13 -2.921 2.439 0.365 103 2HA GLY 13 HA1 GLY 13 -1.556 3.556 0.183 104 H ASP 14 HN ASP 14 -1.946 5.003 -1.913 105 HA ASP 14 HA ASP 14 -3.982 6.885 -1.234 106 1HB ASP 14 HB2 ASP 14 -2.336 6.366 -3.729 107 2HB ASP 14 HB1 ASP 14 -3.360 7.790 -3.537 108 H VAL 15 HN VAL 15 -3.897 4.300 -3.692 109 HA VAL 15 HA VAL 15 -6.337 4.916 -5.033 110 HB VAL 15 HB VAL 15 -4.963 2.264 -4.462 111 1HG1 VAL 15 HG11 VAL 15 -7.319 3.006 -6.129 112 2HG1 VAL 15 HG12 VAL 15 -6.959 1.491 -5.301 113 3HG1 VAL 15 HG13 VAL 15 -6.164 1.871 -6.828 114 1HG2 VAL 15 HG21 VAL 15 -3.838 4.311 -5.731 115 2HG2 VAL 15 HG22 VAL 15 -4.833 3.731 -7.067 116 3HG2 VAL 15 HG23 VAL 15 -3.643 2.662 -6.325 117 H VAL 16 HN VAL 16 -5.692 3.003 -2.097 118 HA VAL 16 HA VAL 16 -8.327 1.972 -1.660 119 HB VAL 16 HB VAL 16 -6.061 2.819 0.184 120 1HG1 VAL 16 HG11 VAL 16 -8.218 2.732 1.419 121 2HG1 VAL 16 HG12 VAL 16 -7.103 1.466 1.933 122 3HG1 VAL 16 HG13 VAL 16 -8.448 1.074 0.861 123 1HG2 VAL 16 HG21 VAL 16 -6.293 0.700 -1.639 124 2HG2 VAL 16 HG22 VAL 16 -6.607 -0.033 -0.066 125 3HG2 VAL 16 HG23 VAL 16 -5.105 0.847 -0.344 126 H ARG 17 HN ARG 17 -6.753 4.938 -0.430 127 HA ARG 17 HA ARG 17 -9.000 6.050 0.936 128 1HB ARG 17 HB2 ARG 17 -6.611 6.742 1.126 129 2HB ARG 17 HB1 ARG 17 -6.703 7.423 -0.498 130 1HG ARG 17 HG2 ARG 17 -8.476 8.963 0.231 131 2HG ARG 17 HG1 ARG 17 -8.412 8.278 1.856 132 1HD ARG 17 HD2 ARG 17 -5.975 8.942 1.960 133 2HD ARG 17 HD1 ARG 17 -6.213 9.811 0.430 134 HE ARG 17 HE ARG 17 -7.686 11.340 1.562 135 1HH1 ARG 17 HH21 ARG 17 -5.628 11.322 3.677 136 2HH1 ARG 17 HH22 ARG 17 -6.534 10.927 5.099 137 1HH2 ARG 17 HH11 ARG 17 -9.268 9.717 3.343 138 2HH2 ARG 17 HH12 ARG 17 -8.595 10.019 4.910 139 H GLU 18 HN GLU 18 -7.893 6.408 -2.437 140 HA GLU 18 HA GLU 18 -9.776 8.362 -3.292 141 1HB GLU 18 HB2 GLU 18 -8.299 6.134 -4.658 142 2HB GLU 18 HB1 GLU 18 -9.278 7.287 -5.556 143 1HG GLU 18 HG2 GLU 18 -7.949 9.143 -4.637 144 2HG GLU 18 HG1 GLU 18 -6.975 8.000 -3.714 145 H LEU 19 HN LEU 19 -10.009 4.812 -3.184 146 HA LEU 19 HA LEU 19 -12.496 4.506 -4.529 147 1HB LEU 19 HB2 LEU 19 -11.116 2.977 -2.340 148 2HB LEU 19 HB1 LEU 19 -12.561 2.377 -3.150 149 HG LEU 19 HG LEU 19 -10.033 3.192 -4.606 150 1HD1 LEU 19 HD11 LEU 19 -10.058 1.093 -2.963 151 2HD1 LEU 19 HD12 LEU 19 -9.268 1.013 -4.538 152 3HD1 LEU 19 HD13 LEU 19 -10.885 0.342 -4.327 153 1HD2 LEU 19 HD21 LEU 19 -11.778 3.276 -6.157 154 2HD2 LEU 19 HD22 LEU 19 -12.671 1.974 -5.372 155 3HD2 LEU 19 HD23 LEU 19 -11.231 1.608 -6.322 156 H LYS 20 HN LYS 20 -11.769 5.152 -1.127 157 HA LYS 20 HA LYS 20 -14.472 5.030 -0.157 158 1HB LYS 20 HB2 LYS 20 -11.910 6.306 0.838 159 2HB LYS 20 HB1 LYS 20 -13.397 6.285 1.783 160 1HG LYS 20 HG2 LYS 20 -11.981 3.820 0.726 161 2HG LYS 20 HG1 LYS 20 -11.878 4.409 2.385 162 1HD LYS 20 HD2 LYS 20 -14.544 4.325 2.178 163 2HD LYS 20 HD1 LYS 20 -14.158 3.090 0.977 164 1HE LYS 20 HE2 LYS 20 -14.092 1.698 2.803 165 2HE LYS 20 HE1 LYS 20 -12.473 2.388 3.038 166 1HZ LYS 20 HZ1 LYS 20 -13.357 4.080 4.432 167 2HZ LYS 20 HZ2 LYS 20 -13.977 2.606 5.005 168 3HZ LYS 20 HZ3 LYS 20 -14.956 3.640 4.079 169 H ALA 21 HN ALA 21 -12.341 7.604 -1.295 170 HA ALA 21 HA ALA 21 -14.004 9.856 -0.743 171 1HB ALA 21 HB1 ALA 21 -11.951 10.581 -1.438 172 2HB ALA 21 HB2 ALA 21 -12.633 10.470 -3.060 173 3HB ALA 21 HB3 ALA 21 -11.678 9.137 -2.412 174 H LYS 22 HN LYS 22 -13.955 7.504 -3.379 175 HA LYS 22 HA LYS 22 -16.095 8.979 -4.828 176 1HB LYS 22 HB2 LYS 22 -15.710 7.291 -6.563 177 2HB LYS 22 HB1 LYS 22 -14.174 7.965 -6.025 178 1HG LYS 22 HG2 LYS 22 -13.709 6.035 -4.679 179 2HG LYS 22 HG1 LYS 22 -15.335 5.397 -4.923 180 1HD LYS 22 HD2 LYS 22 -13.708 5.977 -7.355 181 2HD LYS 22 HD1 LYS 22 -13.262 4.564 -6.399 182 1HE LYS 22 HE2 LYS 22 -15.497 3.633 -6.612 183 2HE LYS 22 HE1 LYS 22 -16.077 5.111 -7.407 184 1HZ LYS 22 HZ1 LYS 22 -13.925 3.316 -8.401 185 2HZ LYS 22 HZ2 LYS 22 -14.396 4.775 -9.135 186 3HZ LYS 22 HZ3 LYS 22 -15.479 3.467 -9.063 187 H LYS 23 HN LYS 23 -16.377 7.392 -2.120 188 HA LYS 23 HA LYS 23 -18.082 6.152 -1.074 189 1HB LYS 23 HB2 LYS 23 -19.478 6.802 -3.672 190 2HB LYS 23 HB1 LYS 23 -20.278 6.235 -2.213 191 1HG LYS 23 HG2 LYS 23 -19.415 8.229 -0.997 192 2HG LYS 23 HG1 LYS 23 -18.711 8.815 -2.504 193 1HD LYS 23 HD2 LYS 23 -21.655 8.176 -2.200 194 2HD LYS 23 HD1 LYS 23 -20.989 9.787 -1.936 195 1HE LYS 23 HE2 LYS 23 -20.750 10.171 -4.172 196 2HE LYS 23 HE1 LYS 23 -20.126 8.538 -4.472 197 1HZ LYS 23 HZ1 LYS 23 -22.960 9.009 -3.749 198 2HZ LYS 23 HZ2 LYS 23 -22.266 7.636 -4.471 199 3HZ LYS 23 HZ3 LYS 23 -22.439 9.071 -5.362 200 H ALA 24 HN ALA 24 -16.168 4.855 -3.105 201 HA ALA 24 HA ALA 24 -17.397 2.740 -4.527 202 1HB ALA 24 HB1 ALA 24 -14.768 2.722 -3.005 203 2HB ALA 24 HB2 ALA 24 -14.998 3.446 -4.597 204 3HB ALA 24 HB3 ALA 24 -15.178 1.704 -4.385 205 HA PRO 25 HA PRO 25 -18.991 0.109 -1.365 206 1HB PRO 25 HB2 PRO 25 -18.753 -2.347 -2.551 207 2HB PRO 25 HB1 PRO 25 -19.991 -1.162 -3.015 208 1HG PRO 25 HG2 PRO 25 -17.387 -1.790 -4.323 209 2HG PRO 25 HG1 PRO 25 -18.966 -1.460 -5.055 210 1HD PRO 25 HD2 PRO 25 -17.000 0.395 -4.933 211 2HD PRO 25 HD1 PRO 25 -18.726 0.821 -4.871 212 H LYS 26 HN LYS 26 -18.371 -1.864 -0.063 213 HA LYS 26 HA LYS 26 -15.789 -1.637 1.089 214 1HB LYS 26 HB2 LYS 26 -17.858 -3.853 1.009 215 2HB LYS 26 HB1 LYS 26 -16.457 -3.884 2.085 216 1HG LYS 26 HG2 LYS 26 -17.175 -1.741 3.080 217 2HG LYS 26 HG1 LYS 26 -18.576 -1.714 2.011 218 1HD LYS 26 HD2 LYS 26 -19.378 -3.828 3.003 219 2HD LYS 26 HD1 LYS 26 -17.978 -3.853 4.077 220 1HE LYS 26 HE2 LYS 26 -19.826 -1.462 4.017 221 2HE LYS 26 HE1 LYS 26 -20.181 -2.871 5.037 222 1HZ LYS 26 HZ1 LYS 26 -18.803 -1.271 6.225 223 2HZ LYS 26 HZ2 LYS 26 -17.623 -1.355 5.005 224 3HZ LYS 26 HZ3 LYS 26 -17.955 -2.716 5.966 225 H GLU 27 HN GLU 27 -16.962 -3.673 -1.550 226 HA GLU 27 HA GLU 27 -14.839 -5.549 -1.722 227 1HB GLU 27 HB2 GLU 27 -16.702 -4.281 -3.736 228 2HB GLU 27 HB1 GLU 27 -15.595 -5.583 -4.176 229 1HG GLU 27 HG2 GLU 27 -16.596 -7.065 -2.539 230 2HG GLU 27 HG1 GLU 27 -17.599 -5.762 -1.911 231 H ASP 28 HN ASP 28 -15.109 -2.282 -3.144 232 HA ASP 28 HA ASP 28 -12.648 -2.419 -4.663 233 1HB ASP 28 HB2 ASP 28 -14.499 -0.268 -3.642 234 2HB ASP 28 HB1 ASP 28 -13.011 0.166 -4.487 235 H VAL 29 HN VAL 29 -13.467 -1.167 -1.435 236 HA VAL 29 HA VAL 29 -10.871 -0.055 -0.846 237 HB VAL 29 HB VAL 29 -13.120 -1.069 0.927 238 1HG1 VAL 29 HG11 VAL 29 -10.969 0.963 1.578 239 2HG1 VAL 29 HG12 VAL 29 -10.888 -0.730 2.067 240 3HG1 VAL 29 HG13 VAL 29 -12.181 0.303 2.675 241 1HG2 VAL 29 HG21 VAL 29 -13.308 0.894 -0.926 242 2HG2 VAL 29 HG22 VAL 29 -12.661 1.827 0.423 243 3HG2 VAL 29 HG23 VAL 29 -14.176 0.943 0.607 244 H ASP 30 HN ASP 30 -12.422 -3.108 0.221 245 HA ASP 30 HA ASP 30 -10.203 -4.166 1.649 246 1HB ASP 30 HB2 ASP 30 -12.515 -5.421 0.143 247 2HB ASP 30 HB1 ASP 30 -11.425 -6.352 1.174 248 H ALA 31 HN ALA 31 -11.143 -4.601 -1.771 249 HA ALA 31 HA ALA 31 -9.093 -6.443 -2.503 250 1HB ALA 31 HB1 ALA 31 -10.803 -4.406 -3.914 251 2HB ALA 31 HB2 ALA 31 -10.870 -6.166 -4.014 252 3HB ALA 31 HB3 ALA 31 -9.568 -5.286 -4.814 253 H ALA 32 HN ALA 32 -9.175 -2.879 -2.727 254 HA ALA 32 HA ALA 32 -6.536 -2.586 -3.828 255 1HB ALA 32 HB1 ALA 32 -8.604 -0.964 -3.533 256 2HB ALA 32 HB2 ALA 32 -6.971 -0.299 -3.538 257 3HB ALA 32 HB3 ALA 32 -7.816 -0.553 -2.011 258 H VAL 33 HN VAL 33 -7.700 -2.465 -0.422 259 HA VAL 33 HA VAL 33 -5.072 -1.977 0.696 260 HB VAL 33 HB VAL 33 -7.564 -1.753 1.626 261 1HG1 VAL 33 HG11 VAL 33 -7.964 -3.524 3.384 262 2HG1 VAL 33 HG12 VAL 33 -6.773 -4.522 2.557 263 3HG1 VAL 33 HG13 VAL 33 -8.252 -4.040 1.728 264 1HG2 VAL 33 HG21 VAL 33 -6.619 -1.662 3.902 265 2HG2 VAL 33 HG22 VAL 33 -5.531 -0.931 2.723 266 3HG2 VAL 33 HG23 VAL 33 -5.202 -2.550 3.342 267 H LYS 34 HN LYS 34 -6.936 -4.905 -0.087 268 HA LYS 34 HA LYS 34 -5.148 -6.844 1.051 269 1HB LYS 34 HB2 LYS 34 -7.450 -7.275 0.175 270 2HB LYS 34 HB1 LYS 34 -6.861 -6.976 -1.461 271 1HG LYS 34 HG2 LYS 34 -5.274 -8.842 -1.246 272 2HG LYS 34 HG1 LYS 34 -5.835 -9.139 0.400 273 1HD LYS 34 HD2 LYS 34 -8.131 -9.536 -0.500 274 2HD LYS 34 HD1 LYS 34 -7.487 -9.360 -2.133 275 1HE LYS 34 HE2 LYS 34 -6.168 -11.324 -1.951 276 2HE LYS 34 HE1 LYS 34 -6.314 -11.354 -0.183 277 1HZ LYS 34 HZ1 LYS 34 -8.715 -11.646 -0.439 278 2HZ LYS 34 HZ2 LYS 34 -7.857 -12.921 -1.163 279 3HZ LYS 34 HZ3 LYS 34 -8.537 -11.698 -2.125 280 H GLN 35 HN GLN 35 -5.277 -5.213 -2.099 281 HA GLN 35 HA GLN 35 -3.019 -6.490 -3.345 282 1HB GLN 35 HB2 GLN 35 -4.868 -4.956 -4.325 283 2HB GLN 35 HB1 GLN 35 -3.928 -3.616 -3.675 284 1HG GLN 35 HG2 GLN 35 -1.994 -4.229 -4.996 285 2HG GLN 35 HG1 GLN 35 -2.790 -5.700 -5.554 286 1HE2 GLN 35 HE21 GLN 35 -1.843 -3.648 -7.365 287 2HE2 GLN 35 HE22 GLN 35 -3.197 -2.972 -8.134 288 H LEU 36 HN LEU 36 -3.391 -3.486 -1.500 289 HA LEU 36 HA LEU 36 -0.667 -2.632 -1.474 290 1HB LEU 36 HB2 LEU 36 -2.303 -1.070 -0.851 291 2HB LEU 36 HB1 LEU 36 -3.153 -2.215 0.172 292 HG LEU 36 HG LEU 36 -1.507 -2.011 1.905 293 1HD1 LEU 36 HD11 LEU 36 0.170 -1.041 -0.297 294 2HD1 LEU 36 HD12 LEU 36 0.655 -1.732 1.250 295 3HD1 LEU 36 HD13 LEU 36 0.290 -0.011 1.130 296 1HD2 LEU 36 HD21 LEU 36 -1.539 0.502 2.276 297 2HD2 LEU 36 HD22 LEU 36 -3.110 -0.233 1.951 298 3HD2 LEU 36 HD23 LEU 36 -2.263 0.638 0.675 299 H LEU 37 HN LEU 37 -2.494 -4.756 0.733 300 HA LEU 37 HA LEU 37 -0.481 -5.154 2.699 301 1HB LEU 37 HB2 LEU 37 -2.816 -6.703 1.664 302 2HB LEU 37 HB1 LEU 37 -1.782 -7.409 2.905 303 HG LEU 37 HG LEU 37 -2.795 -4.603 3.246 304 1HD1 LEU 37 HD11 LEU 37 -4.329 -7.159 3.809 305 2HD1 LEU 37 HD12 LEU 37 -4.828 -5.834 2.759 306 3HD1 LEU 37 HD13 LEU 37 -4.746 -5.592 4.503 307 1HD2 LEU 37 HD21 LEU 37 -1.959 -6.889 5.045 308 2HD2 LEU 37 HD22 LEU 37 -2.742 -5.434 5.663 309 3HD2 LEU 37 HD23 LEU 37 -1.178 -5.318 4.856 310 H SER 38 HN SER 38 -1.068 -6.766 -0.404 311 HA SER 38 HA SER 38 0.886 -8.848 -0.177 312 1HB SER 38 HB2 SER 38 -0.942 -8.532 -1.917 313 2HB SER 38 HB1 SER 38 0.074 -7.300 -2.660 314 HG SER 38 HG SER 38 0.171 -9.879 -3.056 315 H LEU 39 HN LEU 39 1.114 -5.472 -1.330 316 HA LEU 39 HA LEU 39 3.869 -5.540 -2.152 317 1HB LEU 39 HB2 LEU 39 2.223 -3.256 -0.995 318 2HB LEU 39 HB1 LEU 39 3.670 -3.091 -1.984 319 HG LEU 39 HG LEU 39 1.012 -4.260 -2.870 320 1HD1 LEU 39 HD11 LEU 39 2.521 -1.773 -3.721 321 2HD1 LEU 39 HD12 LEU 39 1.088 -1.797 -2.694 322 3HD1 LEU 39 HD13 LEU 39 0.977 -2.320 -4.374 323 1HD2 LEU 39 HD21 LEU 39 3.757 -4.358 -4.030 324 2HD2 LEU 39 HD22 LEU 39 2.455 -3.957 -5.150 325 3HD2 LEU 39 HD23 LEU 39 2.407 -5.472 -4.248 326 H LYS 40 HN LYS 40 2.317 -4.500 0.876 327 HA LYS 40 HA LYS 40 4.677 -3.980 2.408 328 1HB LYS 40 HB2 LYS 40 2.362 -3.311 3.000 329 2HB LYS 40 HB1 LYS 40 1.935 -5.005 3.224 330 1HG LYS 40 HG2 LYS 40 3.634 -5.188 5.014 331 2HG LYS 40 HG1 LYS 40 4.011 -3.477 4.815 332 1HD LYS 40 HD2 LYS 40 1.739 -2.861 5.452 333 2HD LYS 40 HD1 LYS 40 1.274 -4.562 5.539 334 1HE LYS 40 HE2 LYS 40 3.000 -4.901 7.327 335 2HE LYS 40 HE1 LYS 40 3.313 -3.156 7.303 336 1HZ LYS 40 HZ1 LYS 40 0.782 -2.948 7.549 337 2HZ LYS 40 HZ2 LYS 40 1.675 -3.397 8.922 338 3HZ LYS 40 HZ3 LYS 40 0.823 -4.572 8.041 339 H ALA 41 HN ALA 41 2.765 -6.917 1.887 340 HA ALA 41 HA ALA 41 4.034 -8.652 3.742 341 1HB ALA 41 HB1 ALA 41 2.929 -10.371 2.494 342 2HB ALA 41 HB2 ALA 41 2.969 -9.415 1.013 343 3HB ALA 41 HB3 ALA 41 1.908 -8.941 2.339 344 H GLU 42 HN GLU 42 4.778 -8.169 0.239 345 HA GLU 42 HA GLU 42 6.967 -10.002 0.127 346 1HB GLU 42 HB2 GLU 42 6.285 -7.461 -1.382 347 2HB GLU 42 HB1 GLU 42 7.601 -8.538 -1.858 348 1HG GLU 42 HG2 GLU 42 6.007 -10.413 -2.047 349 2HG GLU 42 HG1 GLU 42 4.689 -9.343 -1.573 350 H TYR 43 HN TYR 43 6.974 -6.473 0.688 351 HA TYR 43 HA TYR 43 9.781 -6.149 1.099 352 1HB TYR 43 HB2 TYR 43 7.681 -4.518 0.872 353 2HB TYR 43 HB1 TYR 43 7.754 -4.557 2.633 354 HD1 TYR 43 HD1 TYR 43 8.735 -2.583 3.394 355 HD2 TYR 43 HD2 TYR 43 10.439 -4.593 0.000 356 HE1 TYR 43 HE1 TYR 43 10.594 -0.943 3.354 357 HE2 TYR 43 HE2 TYR 43 12.299 -2.954 -0.038 358 HH TYR 43 HH TYR 43 12.754 -0.677 0.718 359 H LYS 44 HN LYS 44 7.167 -7.037 3.302 360 HA LYS 44 HA LYS 44 8.517 -6.866 5.799 361 1HB LYS 44 HB2 LYS 44 6.079 -7.171 5.414 362 2HB LYS 44 HB1 LYS 44 6.389 -8.818 4.864 363 1HG LYS 44 HG2 LYS 44 7.358 -9.376 7.063 364 2HG LYS 44 HG1 LYS 44 7.047 -7.730 7.617 365 1HD LYS 44 HD2 LYS 44 4.623 -8.066 7.212 366 2HD LYS 44 HD1 LYS 44 4.949 -9.726 6.713 367 1HE LYS 44 HE2 LYS 44 5.823 -10.269 8.936 368 2HE LYS 44 HE1 LYS 44 5.617 -8.583 9.451 369 1HZ LYS 44 HZ1 LYS 44 3.500 -10.489 8.615 370 2HZ LYS 44 HZ2 LYS 44 3.234 -8.817 8.766 371 3HZ LYS 44 HZ3 LYS 44 3.674 -9.736 10.125 372 H GLU 45 HN GLU 45 8.354 -9.560 3.472 373 HA GLU 45 HA GLU 45 9.559 -11.588 5.027 374 1HB GLU 45 HB2 GLU 45 9.602 -10.950 2.067 375 2HB GLU 45 HB1 GLU 45 10.216 -12.466 2.730 376 1HG GLU 45 HG2 GLU 45 8.035 -12.969 3.706 377 2HG GLU 45 HG1 GLU 45 7.404 -11.416 3.166 378 H LYS 46 HN LYS 46 11.134 -9.021 3.094 379 HA LYS 46 HA LYS 46 13.809 -9.994 3.256 380 1HB LYS 46 HB2 LYS 46 12.606 -7.216 3.119 381 2HB LYS 46 HB1 LYS 46 14.329 -7.528 2.924 382 1HG LYS 46 HG2 LYS 46 12.155 -8.783 1.224 383 2HG LYS 46 HG1 LYS 46 13.127 -7.393 0.742 384 1HD LYS 46 HD2 LYS 46 15.184 -8.830 1.131 385 2HD LYS 46 HD1 LYS 46 14.093 -10.206 1.300 386 1HE LYS 46 HE2 LYS 46 13.303 -9.983 -0.953 387 2HE LYS 46 HE1 LYS 46 14.072 -8.394 -1.132 388 1HZ LYS 46 HZ1 LYS 46 15.461 -10.116 -2.102 389 2HZ LYS 46 HZ2 LYS 46 15.481 -10.964 -0.629 390 3HZ LYS 46 HZ3 LYS 46 16.225 -9.441 -0.747 391 H THR 47 HN THR 47 12.245 -7.505 5.344 392 HA THR 47 HA THR 47 13.721 -8.516 7.698 393 HB THR 47 HB THR 47 14.189 -5.729 6.600 394 HG1 THR 47 HG1 THR 47 15.902 -6.511 5.641 395 1HG2 THR 47 HG21 THR 47 14.974 -5.325 8.669 396 2HG2 THR 47 HG22 THR 47 16.229 -6.526 8.366 397 3HG2 THR 47 HG23 THR 47 14.723 -7.003 9.150 398 H GLY 48 HN GLY 48 10.849 -7.575 6.654 399 1HA GLY 48 HA2 GLY 48 8.940 -6.766 7.767 400 2HA GLY 48 HA1 GLY 48 9.907 -6.684 9.241 401 H GLN 49 HN GLN 49 10.632 -5.072 6.174 402 HA GLN 49 HA GLN 49 10.983 -2.501 7.538 403 1HB GLN 49 HB2 GLN 49 11.213 -3.545 4.709 404 2HB GLN 49 HB1 GLN 49 11.472 -1.844 5.092 405 1HG GLN 49 HG2 GLN 49 12.939 -4.073 6.517 406 2HG GLN 49 HG1 GLN 49 13.566 -3.301 5.060 407 1HE2 GLN 49 HE21 GLN 49 14.116 -0.982 5.193 408 2HE2 GLN 49 HE22 GLN 49 14.388 -0.245 6.698 409 H GLU 50 HN GLU 50 8.563 -4.027 5.501 410 HA GLU 50 HA GLU 50 6.550 -3.264 4.545 411 1HB GLU 50 HB2 GLU 50 5.057 -2.529 6.295 412 2HB GLU 50 HB1 GLU 50 6.196 -3.681 6.984 413 1HG GLU 50 HG2 GLU 50 7.448 -1.952 8.055 414 2HG GLU 50 HG1 GLU 50 6.628 -0.689 7.135 415 H TYR 51 HN TYR 51 5.022 -1.059 4.660 416 HA TYR 51 HA TYR 51 6.447 0.864 3.038 417 1HB TYR 51 HB2 TYR 51 4.084 0.348 2.739 418 2HB TYR 51 HB1 TYR 51 3.726 0.859 4.388 419 HD1 TYR 51 HD1 TYR 51 2.354 2.752 4.199 420 HD2 TYR 51 HD2 TYR 51 5.894 2.475 1.778 421 HE1 TYR 51 HE1 TYR 51 2.006 5.080 3.419 422 HE2 TYR 51 HE2 TYR 51 5.542 4.800 0.997 423 HH TYR 51 HH TYR 51 4.218 6.940 2.143 424 H LYS 52 HN LYS 52 7.886 2.329 3.884 425 HA LYS 52 HA LYS 52 7.904 3.150 6.675 426 1HB LYS 52 HB2 LYS 52 9.268 4.139 4.148 427 2HB LYS 52 HB1 LYS 52 9.637 4.767 5.755 428 1HG LYS 52 HG2 LYS 52 9.733 1.808 5.179 429 2HG LYS 52 HG1 LYS 52 11.120 2.847 4.852 430 1HD LYS 52 HD2 LYS 52 9.741 2.867 7.537 431 2HD LYS 52 HD1 LYS 52 11.017 1.707 7.168 432 1HE LYS 52 HE2 LYS 52 11.642 4.523 6.466 433 2HE LYS 52 HE1 LYS 52 11.524 4.172 8.202 434 1HZ LYS 52 HZ1 LYS 52 12.914 2.154 7.734 435 2HZ LYS 52 HZ2 LYS 52 13.726 3.637 7.561 436 3HZ LYS 52 HZ3 LYS 52 13.204 2.786 6.186 437 HA PRO 53 HA PRO 53 4.979 6.421 6.122 438 1HB PRO 53 HB2 PRO 53 5.388 7.827 8.419 439 2HB PRO 53 HB1 PRO 53 4.560 6.259 8.383 440 1HG PRO 53 HG2 PRO 53 7.296 6.925 9.267 441 2HG PRO 53 HG1 PRO 53 6.217 5.630 9.801 442 1HD PRO 53 HD2 PRO 53 8.384 5.373 8.035 443 2HD PRO 53 HD1 PRO 53 7.115 4.164 8.333 444 H GLY 54 HN GLY 54 8.089 7.634 7.450 445 1HA GLY 54 HA2 GLY 54 7.739 10.205 6.098 446 2HA GLY 54 HA1 GLY 54 9.149 9.702 7.015 447 H ASN 55 HN ASN 55 8.482 7.246 4.804 448 HA ASN 55 HA ASN 55 9.620 6.578 2.840 449 1HB ASN 55 HB2 ASN 55 8.911 9.483 2.469 450 2HB ASN 55 HB1 ASN 55 9.755 8.603 1.192 451 1HD2 ASN 55 HD21 ASN 55 8.647 6.317 0.732 452 2HD2 ASN 55 HD22 ASN 55 6.946 6.344 0.649 453 HA PRO 56 HA PRO 56 13.746 7.804 4.347 454 1HB PRO 56 HB2 PRO 56 15.022 5.577 3.332 455 2HB PRO 56 HB1 PRO 56 14.268 5.674 4.936 456 1HG PRO 56 HG2 PRO 56 13.205 4.500 2.418 457 2HG PRO 56 HG1 PRO 56 13.068 3.917 4.080 458 1HD PRO 56 HD2 PRO 56 11.035 5.180 2.837 459 2HD PRO 56 HD1 PRO 56 11.321 5.334 4.587 460 HA PRO 57 HA PRO 57 15.326 7.865 -0.193 461 1HB PRO 57 HB2 PRO 57 13.434 7.939 -2.163 462 2HB PRO 57 HB1 PRO 57 14.213 6.435 -1.631 463 1HG PRO 57 HG2 PRO 57 11.551 7.550 -0.897 464 2HG PRO 57 HG1 PRO 57 12.008 5.882 -1.263 465 1HD PRO 57 HD2 PRO 57 11.649 6.750 1.232 466 2HD PRO 57 HD1 PRO 57 12.830 5.500 0.834 Start of MODEL 19 1 2H ASP 1 HN2 ASP 1 16.658 1.620 -4.539 2 H ASP 1 H ASP 1 17.734 0.839 -3.483 3 HA ASP 1 HA ASP 1 15.716 -0.605 -5.124 4 1HB ASP 1 HB2 ASP 1 17.938 -1.627 -4.319 5 2HB ASP 1 HB1 ASP 1 17.290 -1.461 -2.687 6 H SER 2 HN SER 2 16.530 0.767 -1.931 7 HA SER 2 HA SER 2 14.072 0.074 -0.620 8 1HB SER 2 HB2 SER 2 14.868 1.644 1.056 9 2HB SER 2 HB1 SER 2 16.259 0.776 0.412 10 HG SER 2 HG SER 2 16.588 3.053 0.508 11 H LEU 3 HN LEU 3 15.074 2.972 -2.439 12 HA LEU 3 HA LEU 3 12.783 4.597 -1.872 13 1HB LEU 3 HB2 LEU 3 14.953 5.350 -2.809 14 2HB LEU 3 HB1 LEU 3 14.591 4.503 -4.308 15 HG LEU 3 HG LEU 3 12.484 5.897 -4.478 16 1HD1 LEU 3 HD11 LEU 3 12.426 7.968 -3.125 17 2HD1 LEU 3 HD12 LEU 3 13.862 7.432 -2.253 18 3HD1 LEU 3 HD13 LEU 3 12.352 6.534 -2.101 19 1HD2 LEU 3 HD21 LEU 3 13.638 7.794 -5.417 20 2HD2 LEU 3 HD22 LEU 3 14.676 6.390 -5.664 21 3HD2 LEU 3 HD23 LEU 3 15.033 7.534 -4.371 22 H VAL 4 HN VAL 4 13.500 2.703 -4.833 23 HA VAL 4 HA VAL 4 11.014 3.154 -6.131 24 HB VAL 4 HB VAL 4 13.128 2.240 -7.098 25 1HG1 VAL 4 HG11 VAL 4 13.670 -0.106 -6.880 26 2HG1 VAL 4 HG12 VAL 4 12.244 -0.376 -5.881 27 3HG1 VAL 4 HG13 VAL 4 13.577 0.602 -5.269 28 1HG2 VAL 4 HG21 VAL 4 11.897 0.373 -8.442 29 2HG2 VAL 4 HG22 VAL 4 11.288 2.026 -8.542 30 3HG2 VAL 4 HG23 VAL 4 10.491 0.853 -7.493 31 H LEU 5 HN LEU 5 11.967 0.537 -3.915 32 HA LEU 5 HA LEU 5 9.577 -1.024 -4.085 33 1HB LEU 5 HB2 LEU 5 11.901 -0.684 -2.295 34 2HB LEU 5 HB1 LEU 5 10.466 -1.319 -1.493 35 HG LEU 5 HG LEU 5 11.880 -3.145 -2.387 36 1HD1 LEU 5 HD11 LEU 5 9.256 -3.113 -2.403 37 2HD1 LEU 5 HD12 LEU 5 10.115 -4.410 -3.235 38 3HD1 LEU 5 HD13 LEU 5 9.454 -3.058 -4.155 39 1HD2 LEU 5 HD21 LEU 5 12.583 -1.600 -4.399 40 2HD2 LEU 5 HD22 LEU 5 11.166 -2.297 -5.180 41 3HD2 LEU 5 HD23 LEU 5 12.477 -3.342 -4.635 42 H TYR 6 HN TYR 6 10.409 1.759 -2.011 43 HA TYR 6 HA TYR 6 8.061 1.790 -0.384 44 1HB TYR 6 HB2 TYR 6 10.098 3.108 0.046 45 2HB TYR 6 HB1 TYR 6 9.809 4.052 -1.416 46 HD1 TYR 6 HD1 TYR 6 8.708 6.089 -1.191 47 HD2 TYR 6 HD2 TYR 6 7.972 2.986 1.685 48 HE1 TYR 6 HE1 TYR 6 7.201 7.607 0.060 49 HE2 TYR 6 HE2 TYR 6 6.470 4.507 2.942 50 HH TYR 6 HH TYR 6 5.268 7.371 1.661 51 H ASN 7 HN ASN 7 8.726 3.221 -3.574 52 HA ASN 7 HA ASN 7 6.323 4.720 -3.875 53 1HB ASN 7 HB2 ASN 7 8.160 3.293 -5.822 54 2HB ASN 7 HB1 ASN 7 6.854 4.359 -6.347 55 1HD2 ASN 7 HD21 ASN 7 9.266 5.265 -7.135 56 2HD2 ASN 7 HD22 ASN 7 9.832 6.530 -6.155 57 H ARG 8 HN ARG 8 7.057 1.307 -4.596 58 HA ARG 8 HA ARG 8 4.635 0.610 -5.912 59 1HB ARG 8 HB2 ARG 8 6.562 -0.916 -4.144 60 2HB ARG 8 HB1 ARG 8 5.276 -1.699 -5.063 61 1HG ARG 8 HG2 ARG 8 7.363 0.105 -6.310 62 2HG ARG 8 HG1 ARG 8 7.506 -1.652 -6.243 63 1HD ARG 8 HD2 ARG 8 5.284 -1.813 -7.427 64 2HD ARG 8 HD1 ARG 8 5.341 -0.053 -7.646 65 HE ARG 8 HE ARG 8 7.325 -0.326 -9.025 66 1HH1 ARG 8 HH21 ARG 8 5.395 -2.373 -10.163 67 2HH1 ARG 8 HH22 ARG 8 6.416 -3.766 -10.300 68 1HH2 ARG 8 HH11 ARG 8 8.878 -2.490 -8.216 69 2HH2 ARG 8 HH12 ARG 8 8.393 -3.830 -9.200 70 H VAL 9 HN VAL 9 5.435 0.273 -2.407 71 HA VAL 9 HA VAL 9 2.775 -0.621 -1.711 72 HB VAL 9 HB VAL 9 3.581 -0.264 0.598 73 1HG1 VAL 9 HG11 VAL 9 5.889 -1.507 0.208 74 2HG1 VAL 9 HG12 VAL 9 5.297 -1.600 -1.450 75 3HG1 VAL 9 HG13 VAL 9 4.357 -2.308 -0.136 76 1HG2 VAL 9 HG21 VAL 9 4.775 1.866 0.287 77 2HG2 VAL 9 HG22 VAL 9 5.969 1.058 -0.726 78 3HG2 VAL 9 HG23 VAL 9 5.850 0.656 0.982 79 H ALA 10 HN ALA 10 4.412 2.530 -1.641 80 HA ALA 10 HA ALA 10 2.352 4.062 -0.394 81 1HB ALA 10 HB1 ALA 10 3.535 5.920 -1.788 82 2HB ALA 10 HB2 ALA 10 4.610 4.623 -2.309 83 3HB ALA 10 HB3 ALA 10 4.488 5.033 -0.599 84 H VAL 11 HN VAL 11 2.952 3.405 -3.868 85 HA VAL 11 HA VAL 11 0.876 5.039 -4.922 86 HB VAL 11 HB VAL 11 2.216 2.489 -5.878 87 1HG1 VAL 11 HG11 VAL 11 0.397 2.429 -7.304 88 2HG1 VAL 11 HG12 VAL 11 1.386 3.601 -8.174 89 3HG1 VAL 11 HG13 VAL 11 0.075 4.154 -7.133 90 1HG2 VAL 11 HG21 VAL 11 3.329 4.891 -5.508 91 2HG2 VAL 11 HG22 VAL 11 2.602 5.195 -7.086 92 3HG2 VAL 11 HG23 VAL 11 3.761 3.880 -6.887 93 H GLN 12 HN GLN 12 0.765 1.545 -4.019 94 HA GLN 12 HA GLN 12 -1.964 1.112 -4.750 95 1HB GLN 12 HB2 GLN 12 -0.193 -0.594 -4.130 96 2HB GLN 12 HB1 GLN 12 -0.437 -0.141 -2.443 97 1HG GLN 12 HG2 GLN 12 -1.793 -2.122 -3.011 98 2HG GLN 12 HG1 GLN 12 -2.828 -0.748 -2.627 99 1HE2 GLN 12 HE21 GLN 12 -4.501 -0.477 -4.098 100 2HE2 GLN 12 HE22 GLN 12 -4.445 -0.908 -5.739 101 H GLY 13 HN GLY 13 -0.549 1.986 -1.580 102 1HA GLY 13 HA2 GLY 13 -2.658 2.169 0.139 103 2HA GLY 13 HA1 GLY 13 -1.428 3.446 0.080 104 H ASP 14 HN ASP 14 -1.863 4.709 -2.226 105 HA ASP 14 HA ASP 14 -4.092 6.449 -1.692 106 1HB ASP 14 HB2 ASP 14 -2.285 5.979 -4.087 107 2HB ASP 14 HB1 ASP 14 -3.446 7.305 -4.003 108 H VAL 15 HN VAL 15 -3.695 3.673 -3.898 109 HA VAL 15 HA VAL 15 -6.021 4.072 -5.500 110 HB VAL 15 HB VAL 15 -4.628 1.542 -4.551 111 1HG1 VAL 15 HG11 VAL 15 -6.725 0.824 -5.405 112 2HG1 VAL 15 HG12 VAL 15 -5.595 0.636 -6.746 113 3HG1 VAL 15 HG13 VAL 15 -6.691 2.017 -6.703 114 1HG2 VAL 15 HG21 VAL 15 -3.437 1.703 -6.688 115 2HG2 VAL 15 HG22 VAL 15 -3.206 3.187 -5.764 116 3HG2 VAL 15 HG23 VAL 15 -4.350 3.153 -7.106 117 H VAL 16 HN VAL 16 -5.624 2.342 -2.380 118 HA VAL 16 HA VAL 16 -8.349 1.471 -2.086 119 HB VAL 16 HB VAL 16 -6.149 2.233 -0.127 120 1HG1 VAL 16 HG11 VAL 16 -8.942 1.288 0.335 121 2HG1 VAL 16 HG12 VAL 16 -7.920 2.308 1.348 122 3HG1 VAL 16 HG13 VAL 16 -7.671 0.562 1.320 123 1HG2 VAL 16 HG21 VAL 16 -7.136 -0.548 -0.605 124 2HG2 VAL 16 HG22 VAL 16 -5.511 0.012 -0.205 125 3HG2 VAL 16 HG23 VAL 16 -6.129 0.197 -1.847 126 H ARG 17 HN ARG 17 -6.632 4.405 -1.067 127 HA ARG 17 HA ARG 17 -8.770 5.805 0.198 128 1HB ARG 17 HB2 ARG 17 -6.275 6.650 -1.297 129 2HB ARG 17 HB1 ARG 17 -7.273 7.790 -0.407 130 1HG ARG 17 HG2 ARG 17 -6.945 6.477 1.655 131 2HG ARG 17 HG1 ARG 17 -5.948 5.327 0.762 132 1HD ARG 17 HD2 ARG 17 -4.513 6.956 1.940 133 2HD ARG 17 HD1 ARG 17 -4.381 7.199 0.187 134 HE ARG 17 HE ARG 17 -5.737 9.180 0.388 135 1HH1 ARG 17 HH21 ARG 17 -3.986 9.775 2.685 136 2HH1 ARG 17 HH22 ARG 17 -5.112 10.058 3.970 137 1HH2 ARG 17 HH11 ARG 17 -7.771 8.555 2.330 138 2HH2 ARG 17 HH12 ARG 17 -7.253 9.367 3.770 139 H GLU 18 HN GLU 18 -7.725 5.731 -3.211 140 HA GLU 18 HA GLU 18 -9.417 7.784 -4.239 141 1HB GLU 18 HB2 GLU 18 -7.503 6.563 -5.350 142 2HB GLU 18 HB1 GLU 18 -8.579 5.189 -5.571 143 1HG GLU 18 HG2 GLU 18 -10.091 6.523 -6.930 144 2HG GLU 18 HG1 GLU 18 -9.144 7.977 -6.623 145 H LEU 19 HN LEU 19 -9.964 4.308 -3.819 146 HA LEU 19 HA LEU 19 -12.546 4.107 -4.998 147 1HB LEU 19 HB2 LEU 19 -11.157 2.644 -2.773 148 2HB LEU 19 HB1 LEU 19 -12.683 2.098 -3.462 149 HG LEU 19 HG LEU 19 -10.161 2.591 -5.070 150 1HD1 LEU 19 HD11 LEU 19 -10.033 0.112 -5.195 151 2HD1 LEU 19 HD12 LEU 19 -11.379 0.005 -4.062 152 3HD1 LEU 19 HD13 LEU 19 -9.845 0.699 -3.542 153 1HD2 LEU 19 HD21 LEU 19 -11.884 2.742 -6.615 154 2HD2 LEU 19 HD22 LEU 19 -12.957 1.705 -5.676 155 3HD2 LEU 19 HD23 LEU 19 -11.638 0.995 -6.608 156 H LYS 20 HN LYS 20 -11.585 4.906 -1.682 157 HA LYS 20 HA LYS 20 -14.236 5.027 -0.585 158 1HB LYS 20 HB2 LYS 20 -11.559 6.200 0.223 159 2HB LYS 20 HB1 LYS 20 -12.998 6.285 1.238 160 1HG LYS 20 HG2 LYS 20 -11.752 3.718 0.211 161 2HG LYS 20 HG1 LYS 20 -11.546 4.357 1.841 162 1HD LYS 20 HD2 LYS 20 -14.191 4.379 1.830 163 2HD LYS 20 HD1 LYS 20 -13.984 3.164 0.562 164 1HE LYS 20 HE2 LYS 20 -13.178 1.591 2.028 165 2HE LYS 20 HE1 LYS 20 -12.305 2.798 2.994 166 1HZ LYS 20 HZ1 LYS 20 -14.269 1.912 4.160 167 2HZ LYS 20 HZ2 LYS 20 -15.263 2.507 2.917 168 3HZ LYS 20 HZ3 LYS 20 -14.379 3.583 3.891 169 H ALA 21 HN ALA 21 -12.019 7.388 -1.988 170 HA ALA 21 HA ALA 21 -13.525 9.765 -1.509 171 1HB ALA 21 HB1 ALA 21 -11.696 8.949 -3.797 172 2HB ALA 21 HB2 ALA 21 -11.190 9.706 -2.287 173 3HB ALA 21 HB3 ALA 21 -12.174 10.608 -3.439 174 H LYS 22 HN LYS 22 -13.808 7.199 -3.919 175 HA LYS 22 HA LYS 22 -15.928 8.714 -5.373 176 1HB LYS 22 HB2 LYS 22 -15.758 6.857 -6.992 177 2HB LYS 22 HB1 LYS 22 -14.173 7.544 -6.649 178 1HG LYS 22 HG2 LYS 22 -13.620 5.725 -5.183 179 2HG LYS 22 HG1 LYS 22 -15.268 5.103 -5.236 180 1HD LYS 22 HD2 LYS 22 -14.045 3.734 -6.749 181 2HD LYS 22 HD1 LYS 22 -14.920 4.874 -7.772 182 1HE LYS 22 HE2 LYS 22 -12.844 6.336 -7.762 183 2HE LYS 22 HE1 LYS 22 -11.994 4.991 -6.976 184 1HZ LYS 22 HZ1 LYS 22 -13.561 4.713 -9.483 185 2HZ LYS 22 HZ2 LYS 22 -12.554 3.547 -8.766 186 3HZ LYS 22 HZ3 LYS 22 -11.882 4.949 -9.453 187 H LYS 23 HN LYS 23 -16.155 7.374 -2.556 188 HA LYS 23 HA LYS 23 -17.841 6.266 -1.334 189 1HB LYS 23 HB2 LYS 23 -19.271 7.009 -3.883 190 2HB LYS 23 HB1 LYS 23 -20.101 6.352 -2.479 191 1HG LYS 23 HG2 LYS 23 -19.277 8.219 -1.102 192 2HG LYS 23 HG1 LYS 23 -18.429 8.884 -2.498 193 1HD LYS 23 HD2 LYS 23 -20.543 10.057 -2.246 194 2HD LYS 23 HD1 LYS 23 -20.631 9.047 -3.688 195 1HE LYS 23 HE2 LYS 23 -21.491 7.462 -1.449 196 2HE LYS 23 HE1 LYS 23 -22.374 8.999 -1.423 197 1HZ LYS 23 HZ1 LYS 23 -22.177 7.032 -3.624 198 2HZ LYS 23 HZ2 LYS 23 -22.614 8.646 -3.927 199 3HZ LYS 23 HZ3 LYS 23 -23.572 7.678 -2.911 200 H ALA 24 HN ALA 24 -16.121 4.750 -3.338 201 HA ALA 24 HA ALA 24 -17.560 2.639 -4.583 202 1HB ALA 24 HB1 ALA 24 -14.808 2.703 -3.304 203 2HB ALA 24 HB2 ALA 24 -15.189 3.136 -4.970 204 3HB ALA 24 HB3 ALA 24 -15.359 1.466 -4.431 205 HA PRO 25 HA PRO 25 -19.025 0.218 -1.187 206 1HB PRO 25 HB2 PRO 25 -18.903 -2.298 -2.275 207 2HB PRO 25 HB1 PRO 25 -20.154 -1.114 -2.708 208 1HG PRO 25 HG2 PRO 25 -17.630 -1.812 -4.148 209 2HG PRO 25 HG1 PRO 25 -19.259 -1.541 -4.796 210 1HD PRO 25 HD2 PRO 25 -17.357 0.350 -4.931 211 2HD PRO 25 HD1 PRO 25 -19.070 0.761 -4.681 212 H LYS 26 HN LYS 26 -18.271 -1.377 0.384 213 HA LYS 26 HA LYS 26 -15.528 -1.256 1.081 214 1HB LYS 26 HB2 LYS 26 -17.674 -3.319 1.697 215 2HB LYS 26 HB1 LYS 26 -16.156 -3.166 2.586 216 1HG LYS 26 HG2 LYS 26 -16.743 -0.846 3.194 217 2HG LYS 26 HG1 LYS 26 -18.262 -0.997 2.313 218 1HD LYS 26 HD2 LYS 26 -18.947 -2.843 3.806 219 2HD LYS 26 HD1 LYS 26 -17.432 -2.680 4.695 220 1HE LYS 26 HE2 LYS 26 -18.017 -0.389 5.350 221 2HE LYS 26 HE1 LYS 26 -19.511 -0.482 4.397 222 1HZ LYS 26 HZ1 LYS 26 -20.193 -2.392 5.709 223 2HZ LYS 26 HZ2 LYS 26 -19.924 -1.050 6.716 224 3HZ LYS 26 HZ3 LYS 26 -18.773 -2.297 6.631 225 H GLU 27 HN GLU 27 -17.249 -3.406 -1.090 226 HA GLU 27 HA GLU 27 -15.418 -5.577 -1.314 227 1HB GLU 27 HB2 GLU 27 -17.728 -5.421 -2.245 228 2HB GLU 27 HB1 GLU 27 -17.143 -4.254 -3.432 229 1HG GLU 27 HG2 GLU 27 -17.133 -6.391 -4.523 230 2HG GLU 27 HG1 GLU 27 -15.456 -5.995 -4.151 231 H ASP 28 HN ASP 28 -15.505 -2.418 -2.981 232 HA ASP 28 HA ASP 28 -13.248 -2.955 -4.723 233 1HB ASP 28 HB2 ASP 28 -14.784 -0.546 -3.762 234 2HB ASP 28 HB1 ASP 28 -13.333 -0.328 -4.741 235 H VAL 29 HN VAL 29 -13.617 -1.205 -1.638 236 HA VAL 29 HA VAL 29 -10.846 -0.462 -1.375 237 HB VAL 29 HB VAL 29 -13.052 -0.872 0.676 238 1HG1 VAL 29 HG11 VAL 29 -11.736 0.167 2.251 239 2HG1 VAL 29 HG12 VAL 29 -10.867 1.120 1.049 240 3HG1 VAL 29 HG13 VAL 29 -10.450 -0.573 1.299 241 1HG2 VAL 29 HG21 VAL 29 -12.261 1.838 -0.239 242 2HG2 VAL 29 HG22 VAL 29 -13.863 1.192 0.113 243 3HG2 VAL 29 HG23 VAL 29 -13.094 0.848 -1.436 244 H ASP 30 HN ASP 30 -12.746 -3.232 -0.185 245 HA ASP 30 HA ASP 30 -10.763 -4.442 1.457 246 1HB ASP 30 HB2 ASP 30 -13.087 -5.479 -0.178 247 2HB ASP 30 HB1 ASP 30 -12.140 -6.536 0.870 248 H ALA 31 HN ALA 31 -11.509 -5.069 -2.002 249 HA ALA 31 HA ALA 31 -9.485 -7.032 -2.423 250 1HB ALA 31 HB1 ALA 31 -11.303 -6.668 -3.986 251 2HB ALA 31 HB2 ALA 31 -9.798 -6.319 -4.836 252 3HB ALA 31 HB3 ALA 31 -10.805 -4.996 -4.246 253 H ALA 32 HN ALA 32 -9.398 -3.502 -2.922 254 HA ALA 32 HA ALA 32 -6.681 -3.409 -3.875 255 1HB ALA 32 HB1 ALA 32 -7.125 -1.150 -3.984 256 2HB ALA 32 HB2 ALA 32 -7.838 -1.109 -2.372 257 3HB ALA 32 HB3 ALA 32 -8.781 -1.705 -3.737 258 H VAL 33 HN VAL 33 -8.065 -3.024 -0.580 259 HA VAL 33 HA VAL 33 -5.533 -2.389 0.657 260 HB VAL 33 HB VAL 33 -8.101 -2.207 1.400 261 1HG1 VAL 33 HG11 VAL 33 -8.626 -4.540 1.729 262 2HG1 VAL 33 HG12 VAL 33 -8.510 -3.792 3.314 263 3HG1 VAL 33 HG13 VAL 33 -7.183 -4.781 2.713 264 1HG2 VAL 33 HG21 VAL 33 -5.956 -2.727 3.459 265 2HG2 VAL 33 HG22 VAL 33 -7.309 -1.600 3.565 266 3HG2 VAL 33 HG23 VAL 33 -5.979 -1.281 2.450 267 H LYS 34 HN LYS 34 -7.255 -5.468 0.026 268 HA LYS 34 HA LYS 34 -5.438 -7.198 1.431 269 1HB LYS 34 HB2 LYS 34 -7.175 -7.537 -1.040 270 2HB LYS 34 HB1 LYS 34 -6.333 -8.878 -0.263 271 1HG LYS 34 HG2 LYS 34 -8.174 -7.054 1.289 272 2HG LYS 34 HG1 LYS 34 -8.776 -8.483 0.450 273 1HD LYS 34 HD2 LYS 34 -7.119 -9.863 1.714 274 2HD LYS 34 HD1 LYS 34 -6.655 -8.420 2.614 275 1HE LYS 34 HE2 LYS 34 -9.572 -8.955 2.545 276 2HE LYS 34 HE1 LYS 34 -8.603 -10.128 3.459 277 1HZ LYS 34 HZ1 LYS 34 -8.460 -7.171 3.738 278 2HZ LYS 34 HZ2 LYS 34 -7.513 -8.292 4.594 279 3HZ LYS 34 HZ3 LYS 34 -9.192 -8.228 4.844 280 H GLN 35 HN GLN 35 -5.455 -5.850 -1.853 281 HA GLN 35 HA GLN 35 -3.056 -7.139 -2.826 282 1HB GLN 35 HB2 GLN 35 -4.981 -5.778 -4.020 283 2HB GLN 35 HB1 GLN 35 -4.009 -4.373 -3.588 284 1HG GLN 35 HG2 GLN 35 -2.106 -5.204 -4.811 285 2HG GLN 35 HG1 GLN 35 -2.904 -6.750 -5.102 286 1HE2 GLN 35 HE21 GLN 35 -4.030 -6.911 -7.042 287 2HE2 GLN 35 HE22 GLN 35 -4.531 -5.594 -7.988 288 H LEU 36 HN LEU 36 -3.765 -4.034 -1.317 289 HA LEU 36 HA LEU 36 -1.163 -2.886 -1.263 290 1HB LEU 36 HB2 LEU 36 -3.143 -1.608 -0.858 291 2HB LEU 36 HB1 LEU 36 -3.655 -2.685 0.428 292 HG LEU 36 HG LEU 36 -1.934 -1.886 1.890 293 1HD1 LEU 36 HD11 LEU 36 -0.964 -0.268 -0.492 294 2HD1 LEU 36 HD12 LEU 36 -0.096 -1.583 0.300 295 3HD1 LEU 36 HD13 LEU 36 -0.370 -0.065 1.156 296 1HD2 LEU 36 HD21 LEU 36 -3.559 0.170 0.434 297 2HD2 LEU 36 HD22 LEU 36 -2.456 0.681 1.713 298 3HD2 LEU 36 HD23 LEU 36 -3.759 -0.453 2.072 299 H LEU 37 HN LEU 37 -2.839 -4.840 1.251 300 HA LEU 37 HA LEU 37 -0.721 -4.880 3.147 301 1HB LEU 37 HB2 LEU 37 -3.117 -6.486 2.491 302 2HB LEU 37 HB1 LEU 37 -1.942 -7.243 3.561 303 HG LEU 37 HG LEU 37 -3.676 -5.994 4.822 304 1HD1 LEU 37 HD11 LEU 37 -1.228 -4.351 5.191 305 2HD1 LEU 37 HD12 LEU 37 -1.066 -6.098 5.362 306 3HD1 LEU 37 HD13 LEU 37 -2.194 -5.209 6.386 307 1HD2 LEU 37 HD21 LEU 37 -3.534 -3.459 4.734 308 2HD2 LEU 37 HD22 LEU 37 -4.260 -4.214 3.319 309 3HD2 LEU 37 HD23 LEU 37 -2.595 -3.639 3.254 310 H SER 38 HN SER 38 -1.352 -6.921 0.313 311 HA SER 38 HA SER 38 0.684 -8.886 0.735 312 1HB SER 38 HB2 SER 38 -1.158 -8.961 -0.958 313 2HB SER 38 HB1 SER 38 -0.346 -7.688 -1.862 314 HG SER 38 HG SER 38 0.852 -9.186 -2.693 315 H LEU 39 HN LEU 39 0.783 -5.623 -0.693 316 HA LEU 39 HA LEU 39 3.434 -5.676 -1.762 317 1HB LEU 39 HB2 LEU 39 1.871 -3.406 -0.475 318 2HB LEU 39 HB1 LEU 39 3.261 -3.209 -1.539 319 HG LEU 39 HG LEU 39 0.651 -4.539 -2.325 320 1HD1 LEU 39 HD11 LEU 39 0.098 -2.558 -3.481 321 2HD1 LEU 39 HD12 LEU 39 1.736 -1.919 -3.342 322 3HD1 LEU 39 HD13 LEU 39 0.694 -1.991 -1.921 323 1HD2 LEU 39 HD21 LEU 39 3.262 -4.003 -3.731 324 2HD2 LEU 39 HD22 LEU 39 1.760 -4.116 -4.648 325 3HD2 LEU 39 HD23 LEU 39 2.317 -5.492 -3.695 326 H LYS 40 HN LYS 40 2.212 -4.881 1.491 327 HA LYS 40 HA LYS 40 4.710 -4.113 2.669 328 1HB LYS 40 HB2 LYS 40 2.220 -5.417 3.818 329 2HB LYS 40 HB1 LYS 40 3.488 -4.673 4.784 330 1HG LYS 40 HG2 LYS 40 3.087 -2.514 3.633 331 2HG LYS 40 HG1 LYS 40 1.797 -3.271 2.697 332 1HD LYS 40 HD2 LYS 40 0.548 -3.750 4.731 333 2HD LYS 40 HD1 LYS 40 1.844 -3.087 5.721 334 1HE LYS 40 HE2 LYS 40 1.527 -0.876 4.570 335 2HE LYS 40 HE1 LYS 40 0.117 -1.562 3.737 336 1HZ LYS 40 HZ1 LYS 40 -0.747 -2.211 5.949 337 2HZ LYS 40 HZ2 LYS 40 -0.629 -0.527 5.750 338 3HZ LYS 40 HZ3 LYS 40 0.530 -1.360 6.673 339 H ALA 41 HN ALA 41 3.069 -7.243 2.347 340 HA ALA 41 HA ALA 41 4.826 -8.833 3.923 341 1HB ALA 41 HB1 ALA 41 3.612 -10.595 3.008 342 2HB ALA 41 HB2 ALA 41 3.588 -9.876 1.398 343 3HB ALA 41 HB3 ALA 41 2.525 -9.251 2.660 344 H GLU 42 HN GLU 42 4.987 -7.932 0.477 345 HA GLU 42 HA GLU 42 7.224 -9.544 -0.271 346 1HB GLU 42 HB2 GLU 42 6.221 -6.827 -1.189 347 2HB GLU 42 HB1 GLU 42 7.419 -7.781 -2.069 348 1HG GLU 42 HG2 GLU 42 5.806 -9.642 -2.256 349 2HG GLU 42 HG1 GLU 42 4.607 -8.693 -1.381 350 H TYR 43 HN TYR 43 7.097 -6.166 0.888 351 HA TYR 43 HA TYR 43 9.903 -5.646 0.928 352 1HB TYR 43 HB2 TYR 43 7.574 -4.301 1.441 353 2HB TYR 43 HB1 TYR 43 8.211 -4.485 3.074 354 HD1 TYR 43 HD1 TYR 43 7.884 -1.970 1.127 355 HD2 TYR 43 HD2 TYR 43 11.199 -4.411 2.362 356 HE1 TYR 43 HE1 TYR 43 9.431 -0.078 0.718 357 HE2 TYR 43 HE2 TYR 43 12.745 -2.516 1.952 358 HH TYR 43 HH TYR 43 11.683 0.656 1.520 359 H LYS 44 HN LYS 44 7.737 -7.035 3.380 360 HA LYS 44 HA LYS 44 9.582 -7.186 5.541 361 1HB LYS 44 HB2 LYS 44 7.125 -8.773 4.771 362 2HB LYS 44 HB1 LYS 44 7.940 -8.975 6.322 363 1HG LYS 44 HG2 LYS 44 7.614 -6.585 6.815 364 2HG LYS 44 HG1 LYS 44 6.802 -6.367 5.271 365 1HD LYS 44 HD2 LYS 44 5.089 -8.039 5.967 366 2HD LYS 44 HD1 LYS 44 5.887 -8.163 7.535 367 1HE LYS 44 HE2 LYS 44 5.483 -5.746 7.933 368 2HE LYS 44 HE1 LYS 44 4.652 -5.641 6.368 369 1HZ LYS 44 HZ1 LYS 44 3.193 -6.095 8.369 370 2HZ LYS 44 HZ2 LYS 44 3.901 -7.638 8.427 371 3HZ LYS 44 HZ3 LYS 44 3.016 -7.157 7.059 372 H GLU 45 HN GLU 45 9.259 -9.223 2.710 373 HA GLU 45 HA GLU 45 10.382 -11.658 3.639 374 1HB GLU 45 HB2 GLU 45 10.456 -10.167 1.012 375 2HB GLU 45 HB1 GLU 45 11.165 -11.769 1.185 376 1HG GLU 45 HG2 GLU 45 9.024 -12.698 1.865 377 2HG GLU 45 HG1 GLU 45 8.288 -11.095 1.859 378 H LYS 46 HN LYS 46 12.012 -8.702 2.479 379 HA LYS 46 HA LYS 46 14.678 -9.747 2.474 380 1HB LYS 46 HB2 LYS 46 13.614 -6.941 2.929 381 2HB LYS 46 HB1 LYS 46 15.275 -7.333 2.492 382 1HG LYS 46 HG2 LYS 46 12.864 -8.092 0.818 383 2HG LYS 46 HG1 LYS 46 13.857 -6.664 0.531 384 1HD LYS 46 HD2 LYS 46 15.847 -8.109 0.261 385 2HD LYS 46 HD1 LYS 46 14.837 -9.533 0.513 386 1HE LYS 46 HE2 LYS 46 14.091 -7.549 -1.627 387 2HE LYS 46 HE1 LYS 46 15.327 -8.779 -1.948 388 1HZ LYS 46 HZ1 LYS 46 12.876 -9.391 -2.356 389 2HZ LYS 46 HZ2 LYS 46 12.764 -9.517 -0.666 390 3HZ LYS 46 HZ3 LYS 46 13.852 -10.500 -1.527 391 H THR 47 HN THR 47 13.091 -7.665 4.940 392 HA THR 47 HA THR 47 14.355 -9.158 7.121 393 HB THR 47 HB THR 47 15.401 -6.700 7.724 394 HG1 THR 47 HG1 THR 47 16.022 -5.681 5.959 395 1HG2 THR 47 HG21 THR 47 16.358 -9.192 7.365 396 2HG2 THR 47 HG22 THR 47 17.406 -7.790 7.582 397 3HG2 THR 47 HG23 THR 47 17.078 -8.403 5.961 398 H GLY 48 HN GLY 48 11.642 -8.080 6.244 399 1HA GLY 48 HA2 GLY 48 9.738 -7.337 7.428 400 2HA GLY 48 HA1 GLY 48 10.737 -7.261 8.872 401 H GLN 49 HN GLN 49 11.240 -5.526 5.794 402 HA GLN 49 HA GLN 49 11.585 -2.999 7.256 403 1HB GLN 49 HB2 GLN 49 11.639 -3.791 4.330 404 2HB GLN 49 HB1 GLN 49 12.098 -2.200 4.935 405 1HG GLN 49 HG2 GLN 49 13.841 -3.232 6.340 406 2HG GLN 49 HG1 GLN 49 13.387 -4.824 5.731 407 1HE2 GLN 49 HE21 GLN 49 14.584 -5.518 3.966 408 2HE2 GLN 49 HE22 GLN 49 15.403 -4.503 2.879 409 H GLU 50 HN GLU 50 9.051 -4.587 5.447 410 HA GLU 50 HA GLU 50 6.967 -3.847 4.604 411 1HB GLU 50 HB2 GLU 50 5.617 -3.093 6.495 412 2HB GLU 50 HB1 GLU 50 6.771 -4.311 7.027 413 1HG GLU 50 HG2 GLU 50 8.200 -2.657 8.016 414 2HG GLU 50 HG1 GLU 50 7.303 -1.340 7.262 415 H TYR 51 HN TYR 51 5.490 -1.498 5.334 416 HA TYR 51 HA TYR 51 6.378 0.358 3.335 417 1HB TYR 51 HB2 TYR 51 4.048 0.033 4.083 418 2HB TYR 51 HB1 TYR 51 4.464 0.664 5.676 419 HD1 TYR 51 HD1 TYR 51 4.925 3.050 6.008 420 HD2 TYR 51 HD2 TYR 51 3.882 1.500 2.141 421 HE1 TYR 51 HE1 TYR 51 4.478 5.354 5.206 422 HE2 TYR 51 HE2 TYR 51 3.437 3.801 1.337 423 HH TYR 51 HH TYR 51 3.747 6.029 1.819 424 H LYS 52 HN LYS 52 8.006 1.846 3.489 425 HA LYS 52 HA LYS 52 9.447 2.364 5.935 426 1HB LYS 52 HB2 LYS 52 9.348 3.737 3.234 427 2HB LYS 52 HB1 LYS 52 10.542 4.106 4.475 428 1HG LYS 52 HG2 LYS 52 10.180 1.240 3.730 429 2HG LYS 52 HG1 LYS 52 11.017 2.282 2.577 430 1HD LYS 52 HD2 LYS 52 12.539 3.025 4.403 431 2HD LYS 52 HD1 LYS 52 11.744 1.890 5.493 432 1HE LYS 52 HE2 LYS 52 12.432 0.000 4.095 433 2HE LYS 52 HE1 LYS 52 13.160 1.113 2.918 434 1HZ LYS 52 HZ1 LYS 52 13.909 0.823 5.779 435 2HZ LYS 52 HZ2 LYS 52 14.525 2.018 4.740 436 3HZ LYS 52 HZ3 LYS 52 14.853 0.377 4.442 437 HA PRO 53 HA PRO 53 6.686 5.608 7.261 438 1HB PRO 53 HB2 PRO 53 7.938 6.219 9.603 439 2HB PRO 53 HB1 PRO 53 6.971 4.750 9.377 440 1HG PRO 53 HG2 PRO 53 9.872 5.051 9.610 441 2HG PRO 53 HG1 PRO 53 8.861 3.623 9.854 442 1HD PRO 53 HD2 PRO 53 10.447 4.301 7.564 443 2HD PRO 53 HD1 PRO 53 9.443 2.857 7.824 444 H GLY 54 HN GLY 54 6.968 7.948 8.184 445 1HA GLY 54 HA2 GLY 54 7.857 10.110 8.009 446 2HA GLY 54 HA1 GLY 54 9.422 9.375 7.672 447 H ASN 55 HN ASN 55 6.595 8.653 5.688 448 HA ASN 55 HA ASN 55 6.214 9.051 3.379 449 1HB ASN 55 HB2 ASN 55 6.971 11.528 4.737 450 2HB ASN 55 HB1 ASN 55 7.393 11.582 3.027 451 1HD2 ASN 55 HD21 ASN 55 4.635 10.837 5.214 452 2HD2 ASN 55 HD22 ASN 55 3.432 11.305 4.103 453 HA PRO 56 HA PRO 56 9.876 8.205 1.072 454 1HB PRO 56 HB2 PRO 56 9.812 9.821 -1.151 455 2HB PRO 56 HB1 PRO 56 8.782 8.389 -0.952 456 1HG PRO 56 HG2 PRO 56 8.119 11.263 -0.586 457 2HG PRO 56 HG1 PRO 56 7.133 9.949 -1.245 458 1HD PRO 56 HD2 PRO 56 6.832 10.939 1.275 459 2HD PRO 56 HD1 PRO 56 6.418 9.273 0.819 460 HA PRO 57 HA PRO 57 12.889 11.141 2.404 461 1HB PRO 57 HB2 PRO 57 15.070 10.355 0.946 462 2HB PRO 57 HB1 PRO 57 14.461 9.449 2.347 463 1HG PRO 57 HG2 PRO 57 14.024 8.951 -0.561 464 2HG PRO 57 HG1 PRO 57 14.359 7.798 0.742 465 1HD PRO 57 HD2 PRO 57 11.872 8.186 -0.243 466 2HD PRO 57 HD1 PRO 57 12.172 7.767 1.460 Start of MODEL 20 1 2H ASP 1 HN2 ASP 1 16.859 -0.348 -6.882 2 H ASP 1 H ASP 1 18.498 0.079 -7.026 3 HA ASP 1 HA ASP 1 18.344 1.295 -4.892 4 1HB ASP 1 HB2 ASP 1 16.565 1.941 -7.255 5 2HB ASP 1 HB1 ASP 1 16.918 3.109 -5.983 6 H SER 2 HN SER 2 17.184 1.561 -3.032 7 HA SER 2 HA SER 2 14.785 0.060 -2.502 8 1HB SER 2 HB2 SER 2 14.917 1.231 -0.341 9 2HB SER 2 HB1 SER 2 16.523 0.721 -0.852 10 HG SER 2 HG SER 2 15.479 3.236 -0.522 11 H LEU 3 HN LEU 3 15.346 3.313 -3.685 12 HA LEU 3 HA LEU 3 12.868 4.569 -3.016 13 1HB LEU 3 HB2 LEU 3 14.915 5.643 -3.938 14 2HB LEU 3 HB1 LEU 3 14.621 4.852 -5.480 15 HG LEU 3 HG LEU 3 12.414 6.481 -4.284 16 1HD1 LEU 3 HD11 LEU 3 14.506 7.790 -6.006 17 2HD1 LEU 3 HD12 LEU 3 14.711 7.738 -4.254 18 3HD1 LEU 3 HD13 LEU 3 13.306 8.542 -4.955 19 1HD2 LEU 3 HD21 LEU 3 13.297 5.452 -6.935 20 2HD2 LEU 3 HD22 LEU 3 12.492 7.021 -6.933 21 3HD2 LEU 3 HD23 LEU 3 11.669 5.607 -6.276 22 H VAL 4 HN VAL 4 13.828 2.653 -5.842 23 HA VAL 4 HA VAL 4 11.440 2.861 -7.379 24 HB VAL 4 HB VAL 4 13.507 0.657 -7.052 25 1HG1 VAL 4 HG11 VAL 4 11.447 -0.232 -8.104 26 2HG1 VAL 4 HG12 VAL 4 12.783 -0.161 -9.253 27 3HG1 VAL 4 HG13 VAL 4 11.511 1.060 -9.303 28 1HG2 VAL 4 HG21 VAL 4 13.203 2.870 -9.106 29 2HG2 VAL 4 HG22 VAL 4 14.494 1.669 -9.065 30 3HG2 VAL 4 HG23 VAL 4 14.361 2.865 -7.775 31 H LEU 5 HN LEU 5 12.385 0.350 -5.006 32 HA LEU 5 HA LEU 5 10.011 -1.215 -5.134 33 1HB LEU 5 HB2 LEU 5 12.031 -0.681 -2.939 34 2HB LEU 5 HB1 LEU 5 10.808 -1.950 -2.842 35 HG LEU 5 HG LEU 5 12.803 -1.699 -5.109 36 1HD1 LEU 5 HD11 LEU 5 12.873 -3.778 -2.927 37 2HD1 LEU 5 HD12 LEU 5 13.713 -2.240 -2.738 38 3HD1 LEU 5 HD13 LEU 5 14.147 -3.326 -4.058 39 1HD2 LEU 5 HD21 LEU 5 11.087 -2.985 -5.978 40 2HD2 LEU 5 HD22 LEU 5 10.576 -3.561 -4.392 41 3HD2 LEU 5 HD23 LEU 5 12.008 -4.247 -5.159 42 H TYR 6 HN TYR 6 10.813 1.602 -3.105 43 HA TYR 6 HA TYR 6 8.536 1.598 -1.392 44 1HB TYR 6 HB2 TYR 6 10.617 3.461 -2.356 45 2HB TYR 6 HB1 TYR 6 9.135 4.260 -1.836 46 HD1 TYR 6 HD1 TYR 6 9.203 5.004 0.342 47 HD2 TYR 6 HD2 TYR 6 11.147 1.304 -0.652 48 HE1 TYR 6 HE1 TYR 6 9.857 4.711 2.717 49 HE2 TYR 6 HE2 TYR 6 11.804 1.011 1.724 50 HH TYR 6 HH TYR 6 12.198 2.719 3.742 51 H ASN 7 HN ASN 7 8.982 3.023 -4.628 52 HA ASN 7 HA ASN 7 6.511 4.418 -4.822 53 1HB ASN 7 HB2 ASN 7 8.380 3.109 -6.797 54 2HB ASN 7 HB1 ASN 7 6.956 4.005 -7.325 55 1HD2 ASN 7 HD21 ASN 7 7.208 6.236 -7.533 56 2HD2 ASN 7 HD22 ASN 7 8.486 7.132 -6.865 57 H ARG 8 HN ARG 8 7.297 1.023 -5.642 58 HA ARG 8 HA ARG 8 4.836 0.334 -6.900 59 1HB ARG 8 HB2 ARG 8 6.834 -1.212 -5.227 60 2HB ARG 8 HB1 ARG 8 5.528 -1.988 -6.121 61 1HG ARG 8 HG2 ARG 8 6.362 -1.127 -8.222 62 2HG ARG 8 HG1 ARG 8 7.571 -0.148 -7.389 63 1HD ARG 8 HD2 ARG 8 8.596 -2.217 -8.289 64 2HD ARG 8 HD1 ARG 8 8.622 -2.240 -6.515 65 HE ARG 8 HE ARG 8 6.169 -3.396 -7.523 66 1HH1 ARG 8 HH11 ARG 8 8.949 -4.477 -8.734 67 2HH1 ARG 8 HH12 ARG 8 9.043 -5.959 -7.842 68 1HH2 ARG 8 HH21 ARG 8 6.533 -5.082 -5.615 69 2HH2 ARG 8 HH22 ARG 8 7.673 -6.303 -6.076 70 H VAL 9 HN VAL 9 5.784 -0.167 -3.480 71 HA VAL 9 HA VAL 9 3.155 -1.036 -2.646 72 HB VAL 9 HB VAL 9 4.153 -0.826 -0.401 73 1HG1 VAL 9 HG11 VAL 9 5.021 -2.474 -2.426 74 2HG1 VAL 9 HG12 VAL 9 5.454 -2.645 -0.725 75 3HG1 VAL 9 HG13 VAL 9 6.533 -1.789 -1.828 76 1HG2 VAL 9 HG21 VAL 9 6.466 0.076 -0.169 77 2HG2 VAL 9 HG22 VAL 9 5.305 1.313 -0.642 78 3HG2 VAL 9 HG23 VAL 9 6.394 0.622 -1.840 79 H ALA 10 HN ALA 10 4.866 2.066 -2.562 80 HA ALA 10 HA ALA 10 2.997 3.613 -1.073 81 1HB ALA 10 HB1 ALA 10 4.099 5.484 -2.476 82 2HB ALA 10 HB2 ALA 10 5.023 4.189 -3.234 83 3HB ALA 10 HB3 ALA 10 5.165 4.474 -1.500 84 H VAL 11 HN VAL 11 3.206 3.044 -4.596 85 HA VAL 11 HA VAL 11 1.122 4.808 -5.392 86 HB VAL 11 HB VAL 11 2.262 2.240 -6.534 87 1HG1 VAL 11 HG11 VAL 11 0.222 2.330 -7.688 88 2HG1 VAL 11 HG12 VAL 11 1.283 3.279 -8.730 89 3HG1 VAL 11 HG13 VAL 11 0.161 4.093 -7.639 90 1HG2 VAL 11 HG21 VAL 11 3.412 4.683 -6.219 91 2HG2 VAL 11 HG22 VAL 11 2.657 4.899 -7.797 92 3HG2 VAL 11 HG23 VAL 11 3.811 3.590 -7.543 93 H GLN 12 HN GLN 12 0.906 1.270 -4.653 94 HA GLN 12 HA GLN 12 -1.923 1.032 -5.060 95 1HB GLN 12 HB2 GLN 12 -0.326 -0.848 -4.804 96 2HB GLN 12 HB1 GLN 12 -0.062 -0.394 -3.121 97 1HG GLN 12 HG2 GLN 12 -1.673 -2.241 -3.246 98 2HG GLN 12 HG1 GLN 12 -2.468 -0.784 -2.652 99 1HE2 GLN 12 HE21 GLN 12 -4.564 -0.898 -3.505 100 2HE2 GLN 12 HE22 GLN 12 -4.923 -1.157 -5.144 101 H GLY 13 HN GLY 13 -0.078 1.579 -2.056 102 1HA GLY 13 HA2 GLY 13 -1.908 1.769 -0.058 103 2HA GLY 13 HA1 GLY 13 -0.607 2.966 -0.202 104 H ASP 14 HN ASP 14 -1.259 4.451 -2.303 105 HA ASP 14 HA ASP 14 -3.238 6.265 -1.305 106 1HB ASP 14 HB2 ASP 14 -1.842 5.905 -3.973 107 2HB ASP 14 HB1 ASP 14 -2.872 7.291 -3.609 108 H VAL 15 HN VAL 15 -3.381 3.754 -3.836 109 HA VAL 15 HA VAL 15 -5.915 4.441 -4.942 110 HB VAL 15 HB VAL 15 -4.532 1.758 -4.575 111 1HG1 VAL 15 HG11 VAL 15 -6.692 1.128 -5.196 112 2HG1 VAL 15 HG12 VAL 15 -5.930 1.339 -6.773 113 3HG1 VAL 15 HG13 VAL 15 -6.968 2.606 -6.118 114 1HG2 VAL 15 HG21 VAL 15 -3.833 4.042 -6.104 115 2HG2 VAL 15 HG22 VAL 15 -4.488 2.874 -7.251 116 3HG2 VAL 15 HG23 VAL 15 -3.133 2.429 -6.214 117 H VAL 16 HN VAL 16 -5.100 2.395 -2.112 118 HA VAL 16 HA VAL 16 -7.742 1.443 -1.524 119 HB VAL 16 HB VAL 16 -5.364 2.152 0.237 120 1HG1 VAL 16 HG11 VAL 16 -7.510 1.972 1.512 121 2HG1 VAL 16 HG12 VAL 16 -6.352 0.710 1.932 122 3HG1 VAL 16 HG13 VAL 16 -7.713 0.341 0.873 123 1HG2 VAL 16 HG21 VAL 16 -5.033 0.440 -1.589 124 2HG2 VAL 16 HG22 VAL 16 -6.279 -0.539 -0.816 125 3HG2 VAL 16 HG23 VAL 16 -4.779 -0.185 0.041 126 H ARG 17 HN ARG 17 -5.967 4.297 -0.294 127 HA ARG 17 HA ARG 17 -8.098 5.443 1.246 128 1HB ARG 17 HB2 ARG 17 -5.631 5.987 1.306 129 2HB ARG 17 HB1 ARG 17 -5.830 6.817 -0.235 130 1HG ARG 17 HG2 ARG 17 -5.971 8.494 1.486 131 2HG ARG 17 HG1 ARG 17 -7.604 8.249 0.868 132 1HD ARG 17 HD2 ARG 17 -8.112 6.745 2.763 133 2HD ARG 17 HD1 ARG 17 -6.468 6.979 3.389 134 HE ARG 17 HE ARG 17 -8.599 9.045 3.321 135 1HH1 ARG 17 HH11 ARG 17 -7.205 8.408 5.854 136 2HH1 ARG 17 HH12 ARG 17 -6.015 9.662 5.966 137 1HH2 ARG 17 HH21 ARG 17 -6.248 10.553 2.624 138 2HH2 ARG 17 HH22 ARG 17 -5.474 10.875 4.139 139 H GLU 18 HN GLU 18 -7.088 5.859 -2.127 140 HA GLU 18 HA GLU 18 -8.785 8.004 -2.896 141 1HB GLU 18 HB2 GLU 18 -6.850 6.880 -4.108 142 2HB GLU 18 HB1 GLU 18 -7.985 5.620 -4.577 143 1HG GLU 18 HG2 GLU 18 -7.892 7.241 -6.373 144 2HG GLU 18 HG1 GLU 18 -9.456 7.397 -5.570 145 H LEU 19 HN LEU 19 -9.393 4.486 -2.969 146 HA LEU 19 HA LEU 19 -11.931 4.538 -4.260 147 1HB LEU 19 HB2 LEU 19 -10.690 2.728 -2.201 148 2HB LEU 19 HB1 LEU 19 -12.200 2.339 -3.019 149 HG LEU 19 HG LEU 19 -9.600 2.959 -4.447 150 1HD1 LEU 19 HD11 LEU 19 -10.614 0.481 -3.226 151 2HD1 LEU 19 HD12 LEU 19 -8.988 0.880 -3.780 152 3HD1 LEU 19 HD13 LEU 19 -10.194 0.303 -4.930 153 1HD2 LEU 19 HD21 LEU 19 -11.310 3.391 -5.978 154 2HD2 LEU 19 HD22 LEU 19 -12.377 2.170 -5.285 155 3HD2 LEU 19 HD23 LEU 19 -11.001 1.681 -6.273 156 H LYS 20 HN LYS 20 -11.107 4.690 -0.827 157 HA LYS 20 HA LYS 20 -13.811 4.940 0.135 158 1HB LYS 20 HB2 LYS 20 -11.058 5.488 1.279 159 2HB LYS 20 HB1 LYS 20 -12.537 5.623 2.235 160 1HG LYS 20 HG2 LYS 20 -12.936 3.353 2.208 161 2HG LYS 20 HG1 LYS 20 -12.166 3.135 0.640 162 1HD LYS 20 HD2 LYS 20 -10.564 2.167 1.972 163 2HD LYS 20 HD1 LYS 20 -9.994 3.838 2.003 164 1HE LYS 20 HE2 LYS 20 -11.563 4.091 4.084 165 2HE LYS 20 HE1 LYS 20 -11.484 2.318 4.143 166 1HZ LYS 20 HZ1 LYS 20 -9.133 2.379 4.222 167 2HZ LYS 20 HZ2 LYS 20 -9.665 3.502 5.382 168 3HZ LYS 20 HZ3 LYS 20 -9.080 4.040 3.878 169 H ALA 21 HN ALA 21 -11.223 7.156 -0.756 170 HA ALA 21 HA ALA 21 -12.404 9.612 0.099 171 1HB ALA 21 HB1 ALA 21 -10.935 10.493 -1.838 172 2HB ALA 21 HB2 ALA 21 -10.502 8.806 -2.116 173 3HB ALA 21 HB3 ALA 21 -10.111 9.575 -0.577 174 H LYS 22 HN LYS 22 -12.897 7.559 -2.750 175 HA LYS 22 HA LYS 22 -14.774 9.567 -3.906 176 1HB LYS 22 HB2 LYS 22 -14.689 8.203 -5.896 177 2HB LYS 22 HB1 LYS 22 -13.046 8.367 -5.291 178 1HG LYS 22 HG2 LYS 22 -13.085 6.153 -4.361 179 2HG LYS 22 HG1 LYS 22 -14.815 5.986 -4.677 180 1HD LYS 22 HD2 LYS 22 -14.157 6.438 -7.160 181 2HD LYS 22 HD1 LYS 22 -12.527 6.014 -6.639 182 1HE LYS 22 HE2 LYS 22 -13.391 3.838 -5.774 183 2HE LYS 22 HE1 LYS 22 -14.998 4.259 -6.401 184 1HZ LYS 22 HZ1 LYS 22 -14.069 4.519 -8.597 185 2HZ LYS 22 HZ2 LYS 22 -13.688 2.968 -8.015 186 3HZ LYS 22 HZ3 LYS 22 -12.507 4.190 -8.023 187 H LYS 23 HN LYS 23 -15.266 7.831 -1.393 188 HA LYS 23 HA LYS 23 -17.119 6.802 -0.376 189 1HB LYS 23 HB2 LYS 23 -18.421 7.885 -2.876 190 2HB LYS 23 HB1 LYS 23 -19.302 7.292 -1.473 191 1HG LYS 23 HG2 LYS 23 -18.130 8.983 -0.063 192 2HG LYS 23 HG1 LYS 23 -17.361 9.621 -1.516 193 1HD LYS 23 HD2 LYS 23 -20.363 9.386 -1.271 194 2HD LYS 23 HD1 LYS 23 -19.491 10.819 -0.730 195 1HE LYS 23 HE2 LYS 23 -18.429 10.829 -3.100 196 2HE LYS 23 HE1 LYS 23 -19.759 9.738 -3.537 197 1HZ LYS 23 HZ1 LYS 23 -20.404 12.062 -3.825 198 2HZ LYS 23 HZ2 LYS 23 -20.061 12.373 -2.190 199 3HZ LYS 23 HZ3 LYS 23 -21.328 11.322 -2.611 200 H ALA 24 HN ALA 24 -15.505 5.364 -2.599 201 HA ALA 24 HA ALA 24 -17.150 3.539 -4.025 202 1HB ALA 24 HB1 ALA 24 -14.632 4.000 -4.156 203 2HB ALA 24 HB2 ALA 24 -15.114 2.310 -4.305 204 3HB ALA 24 HB3 ALA 24 -14.464 2.910 -2.780 205 HA PRO 25 HA PRO 25 -18.616 0.769 -0.915 206 1HB PRO 25 HB2 PRO 25 -18.652 -1.628 -2.221 207 2HB PRO 25 HB1 PRO 25 -19.798 -0.320 -2.571 208 1HG PRO 25 HG2 PRO 25 -17.399 -1.188 -4.080 209 2HG PRO 25 HG1 PRO 25 -18.933 -0.534 -4.670 210 1HD PRO 25 HD2 PRO 25 -16.578 0.897 -4.449 211 2HD PRO 25 HD1 PRO 25 -18.203 1.611 -4.534 212 H LYS 26 HN LYS 26 -18.051 -1.215 0.357 213 HA LYS 26 HA LYS 26 -15.357 -1.255 1.232 214 1HB LYS 26 HB2 LYS 26 -17.638 -3.229 1.448 215 2HB LYS 26 HB1 LYS 26 -16.121 -3.420 2.331 216 1HG LYS 26 HG2 LYS 26 -16.458 -1.199 3.375 217 2HG LYS 26 HG1 LYS 26 -17.985 -1.032 2.506 218 1HD LYS 26 HD2 LYS 26 -18.851 -3.052 3.629 219 2HD LYS 26 HD1 LYS 26 -17.326 -3.217 4.500 220 1HE LYS 26 HE2 LYS 26 -17.765 -0.802 5.342 221 2HE LYS 26 HE1 LYS 26 -19.436 -1.079 4.812 222 1HZ LYS 26 HZ1 LYS 26 -19.109 -1.808 7.107 223 2HZ LYS 26 HZ2 LYS 26 -17.878 -2.867 6.607 224 3HZ LYS 26 HZ3 LYS 26 -19.479 -3.120 6.098 225 H GLU 27 HN GLU 27 -16.920 -3.101 -1.350 226 HA GLU 27 HA GLU 27 -15.096 -5.259 -1.612 227 1HB GLU 27 HB2 GLU 27 -16.709 -3.663 -3.618 228 2HB GLU 27 HB1 GLU 27 -15.863 -5.154 -4.038 229 1HG GLU 27 HG2 GLU 27 -17.157 -6.426 -2.459 230 2HG GLU 27 HG1 GLU 27 -17.860 -4.961 -1.773 231 H ASP 28 HN ASP 28 -14.905 -1.947 -2.918 232 HA ASP 28 HA ASP 28 -12.437 -2.368 -4.398 233 1HB ASP 28 HB2 ASP 28 -14.096 -0.054 -3.424 234 2HB ASP 28 HB1 ASP 28 -12.494 0.258 -4.101 235 H VAL 29 HN VAL 29 -13.284 -1.116 -1.208 236 HA VAL 29 HA VAL 29 -10.654 -0.288 -0.405 237 HB VAL 29 HB VAL 29 -13.060 -1.209 1.208 238 1HG1 VAL 29 HG11 VAL 29 -10.453 0.022 1.909 239 2HG1 VAL 29 HG12 VAL 29 -11.524 -0.983 2.886 240 3HG1 VAL 29 HG13 VAL 29 -11.870 0.734 2.681 241 1HG2 VAL 29 HG21 VAL 29 -12.333 1.359 -0.170 242 2HG2 VAL 29 HG22 VAL 29 -13.285 1.417 1.315 243 3HG2 VAL 29 HG23 VAL 29 -13.894 0.543 -0.091 244 H ASP 30 HN ASP 30 -12.517 -3.230 0.452 245 HA ASP 30 HA ASP 30 -10.469 -4.530 1.936 246 1HB ASP 30 HB2 ASP 30 -12.810 -5.525 0.289 247 2HB ASP 30 HB1 ASP 30 -11.851 -6.579 1.331 248 H ALA 31 HN ALA 31 -11.322 -4.912 -1.530 249 HA ALA 31 HA ALA 31 -9.352 -6.868 -2.160 250 1HB ALA 31 HB1 ALA 31 -11.326 -6.120 -3.538 251 2HB ALA 31 HB2 ALA 31 -9.825 -6.209 -4.459 252 3HB ALA 31 HB3 ALA 31 -10.438 -4.645 -3.922 253 H ALA 32 HN ALA 32 -9.201 -3.314 -2.451 254 HA ALA 32 HA ALA 32 -6.487 -3.228 -3.418 255 1HB ALA 32 HB1 ALA 32 -8.131 -1.405 -3.653 256 2HB ALA 32 HB2 ALA 32 -6.707 -0.821 -2.793 257 3HB ALA 32 HB3 ALA 32 -8.179 -1.204 -1.902 258 H VAL 33 HN VAL 33 -7.866 -3.034 -0.113 259 HA VAL 33 HA VAL 33 -5.324 -2.501 1.160 260 HB VAL 33 HB VAL 33 -7.915 -2.343 1.885 261 1HG1 VAL 33 HG11 VAL 33 -8.251 -3.996 3.798 262 2HG1 VAL 33 HG12 VAL 33 -6.993 -4.978 3.057 263 3HG1 VAL 33 HG13 VAL 33 -8.485 -4.640 2.179 264 1HG2 VAL 33 HG21 VAL 33 -5.652 -2.836 3.830 265 2HG2 VAL 33 HG22 VAL 33 -7.129 -1.926 4.154 266 3HG2 VAL 33 HG23 VAL 33 -5.955 -1.316 2.987 267 H LYS 34 HN LYS 34 -7.093 -5.538 0.370 268 HA LYS 34 HA LYS 34 -5.233 -7.323 1.664 269 1HB LYS 34 HB2 LYS 34 -7.066 -7.575 -0.743 270 2HB LYS 34 HB1 LYS 34 -6.137 -8.934 -0.116 271 1HG LYS 34 HG2 LYS 34 -7.225 -8.674 2.084 272 2HG LYS 34 HG1 LYS 34 -8.158 -7.314 1.466 273 1HD LYS 34 HD2 LYS 34 -9.184 -8.790 -0.234 274 2HD LYS 34 HD1 LYS 34 -8.256 -10.151 0.394 275 1HE LYS 34 HE2 LYS 34 -9.381 -9.939 2.578 276 2HE LYS 34 HE1 LYS 34 -10.303 -8.547 1.973 277 1HZ LYS 34 HZ1 LYS 34 -10.289 -11.244 0.720 278 2HZ LYS 34 HZ2 LYS 34 -11.222 -9.909 0.233 279 3HZ LYS 34 HZ3 LYS 34 -11.523 -10.660 1.727 280 H GLN 35 HN GLN 35 -5.342 -5.817 -1.549 281 HA GLN 35 HA GLN 35 -2.990 -7.088 -2.631 282 1HB GLN 35 HB2 GLN 35 -4.911 -5.689 -3.752 283 2HB GLN 35 HB1 GLN 35 -3.939 -4.294 -3.285 284 1HG GLN 35 HG2 GLN 35 -2.016 -5.144 -4.513 285 2HG GLN 35 HG1 GLN 35 -2.884 -6.626 -4.908 286 1HE2 GLN 35 HE21 GLN 35 -2.988 -6.336 -7.195 287 2HE2 GLN 35 HE22 GLN 35 -3.824 -5.054 -7.927 288 H LEU 36 HN LEU 36 -3.561 -3.965 -1.036 289 HA LEU 36 HA LEU 36 -0.882 -2.993 -1.047 290 1HB LEU 36 HB2 LEU 36 -2.599 -1.466 -0.580 291 2HB LEU 36 HB1 LEU 36 -3.397 -2.552 0.547 292 HG LEU 36 HG LEU 36 -1.753 -2.124 2.246 293 1HD1 LEU 36 HD11 LEU 36 -0.173 -1.133 -0.050 294 2HD1 LEU 36 HD12 LEU 36 0.378 -1.846 1.467 295 3HD1 LEU 36 HD13 LEU 36 -0.045 -0.136 1.399 296 1HD2 LEU 36 HD21 LEU 36 -3.280 -0.407 2.440 297 2HD2 LEU 36 HD22 LEU 36 -2.941 0.220 0.827 298 3HD2 LEU 36 HD23 LEU 36 -1.819 0.537 2.150 299 H LEU 37 HN LEU 37 -2.624 -4.958 1.383 300 HA LEU 37 HA LEU 37 -0.547 -5.092 3.324 301 1HB LEU 37 HB2 LEU 37 -2.770 -6.954 2.537 302 2HB LEU 37 HB1 LEU 37 -1.778 -7.214 3.966 303 HG LEU 37 HG LEU 37 -3.260 -4.624 3.457 304 1HD1 LEU 37 HD11 LEU 37 -4.139 -7.032 5.083 305 2HD1 LEU 37 HD12 LEU 37 -4.889 -6.471 3.588 306 3HD1 LEU 37 HD13 LEU 37 -4.963 -5.474 5.041 307 1HD2 LEU 37 HD21 LEU 37 -2.319 -5.833 6.065 308 2HD2 LEU 37 HD22 LEU 37 -2.802 -4.166 5.753 309 3HD2 LEU 37 HD23 LEU 37 -1.288 -4.782 5.096 310 H SER 38 HN SER 38 -1.209 -7.057 0.465 311 HA SER 38 HA SER 38 0.769 -9.074 0.862 312 1HB SER 38 HB2 SER 38 -0.443 -7.801 -1.609 313 2HB SER 38 HB1 SER 38 0.591 -9.222 -1.676 314 HG SER 38 HG SER 38 -2.020 -9.026 -1.037 315 H LEU 39 HN LEU 39 0.961 -5.833 -0.619 316 HA LEU 39 HA LEU 39 3.637 -5.986 -1.614 317 1HB LEU 39 HB2 LEU 39 2.120 -3.623 -0.443 318 2HB LEU 39 HB1 LEU 39 3.514 -3.515 -1.515 319 HG LEU 39 HG LEU 39 0.826 -4.732 -2.219 320 1HD1 LEU 39 HD11 LEU 39 1.315 -2.118 -2.016 321 2HD1 LEU 39 HD12 LEU 39 0.314 -2.777 -3.311 322 3HD1 LEU 39 HD13 LEU 39 2.006 -2.382 -3.618 323 1HD2 LEU 39 HD21 LEU 39 3.433 -4.467 -3.732 324 2HD2 LEU 39 HD22 LEU 39 1.889 -4.667 -4.561 325 3HD2 LEU 39 HD23 LEU 39 2.473 -5.923 -3.470 326 H LYS 40 HN LYS 40 2.481 -4.574 1.483 327 HA LYS 40 HA LYS 40 5.068 -4.145 2.628 328 1HB LYS 40 HB2 LYS 40 2.323 -4.652 3.804 329 2HB LYS 40 HB1 LYS 40 3.707 -4.179 4.777 330 1HG LYS 40 HG2 LYS 40 3.962 -2.129 3.427 331 2HG LYS 40 HG1 LYS 40 2.571 -2.603 2.452 332 1HD LYS 40 HD2 LYS 40 1.139 -2.557 4.462 333 2HD LYS 40 HD1 LYS 40 2.528 -2.081 5.440 334 1HE LYS 40 HE2 LYS 40 2.759 0.002 4.165 335 2HE LYS 40 HE1 LYS 40 1.419 -0.479 3.104 336 1HZ LYS 40 HZ1 LYS 40 1.231 -0.227 6.059 337 2HZ LYS 40 HZ2 LYS 40 -0.041 -0.592 4.993 338 3HZ LYS 40 HZ3 LYS 40 0.684 0.944 4.961 339 H ALA 41 HN ALA 41 2.868 -6.915 2.686 340 HA ALA 41 HA ALA 41 4.206 -8.530 4.601 341 1HB ALA 41 HB1 ALA 41 2.483 -9.071 2.180 342 2HB ALA 41 HB2 ALA 41 2.025 -9.128 3.881 343 3HB ALA 41 HB3 ALA 41 3.061 -10.384 3.205 344 H GLU 42 HN GLU 42 4.664 -8.386 1.019 345 HA GLU 42 HA GLU 42 6.647 -10.448 0.862 346 1HB GLU 42 HB2 GLU 42 6.106 -7.926 -0.735 347 2HB GLU 42 HB1 GLU 42 7.266 -9.156 -1.245 348 1HG GLU 42 HG2 GLU 42 5.502 -10.854 -1.265 349 2HG GLU 42 HG1 GLU 42 4.332 -9.671 -0.679 350 H TYR 43 HN TYR 43 7.045 -6.909 1.133 351 HA TYR 43 HA TYR 43 9.904 -6.889 1.407 352 1HB TYR 43 HB2 TYR 43 7.839 -5.073 1.152 353 2HB TYR 43 HB1 TYR 43 8.356 -4.803 2.817 354 HD1 TYR 43 HD1 TYR 43 9.793 -2.985 2.969 355 HD2 TYR 43 HD2 TYR 43 10.161 -5.662 -0.367 356 HE1 TYR 43 HE1 TYR 43 11.747 -1.696 2.153 357 HE2 TYR 43 HE2 TYR 43 12.115 -4.374 -1.186 358 HH TYR 43 HH TYR 43 12.816 -1.514 -0.573 359 H LYS 44 HN LYS 44 7.261 -7.063 3.746 360 HA LYS 44 HA LYS 44 8.708 -6.774 6.172 361 1HB LYS 44 HB2 LYS 44 6.253 -6.705 5.911 362 2HB LYS 44 HB1 LYS 44 6.248 -8.418 5.503 363 1HG LYS 44 HG2 LYS 44 7.167 -8.961 7.728 364 2HG LYS 44 HG1 LYS 44 7.174 -7.246 8.142 365 1HD LYS 44 HD2 LYS 44 4.742 -7.142 7.876 366 2HD LYS 44 HD1 LYS 44 4.705 -8.838 7.386 367 1HE LYS 44 HE2 LYS 44 5.890 -9.284 9.673 368 2HE LYS 44 HE1 LYS 44 5.277 -7.677 10.110 369 1HZ LYS 44 HZ1 LYS 44 3.071 -8.337 9.506 370 2HZ LYS 44 HZ2 LYS 44 3.681 -9.493 10.591 371 3HZ LYS 44 HZ3 LYS 44 3.613 -9.836 8.928 372 H GLU 45 HN GLU 45 8.048 -9.689 4.231 373 HA GLU 45 HA GLU 45 8.951 -11.675 6.019 374 1HB GLU 45 HB2 GLU 45 8.961 -11.375 3.015 375 2HB GLU 45 HB1 GLU 45 9.511 -12.861 3.788 376 1HG GLU 45 HG2 GLU 45 7.361 -13.104 4.931 377 2HG GLU 45 HG1 GLU 45 6.800 -11.581 4.250 378 H LYS 46 HN LYS 46 10.887 -9.607 3.829 379 HA LYS 46 HA LYS 46 13.391 -10.949 4.183 380 1HB LYS 46 HB2 LYS 46 12.614 -8.087 3.577 381 2HB LYS 46 HB1 LYS 46 14.280 -8.657 3.521 382 1HG LYS 46 HG2 LYS 46 13.651 -10.351 1.843 383 2HG LYS 46 HG1 LYS 46 11.981 -9.780 1.894 384 1HD LYS 46 HD2 LYS 46 12.701 -7.553 1.142 385 2HD LYS 46 HD1 LYS 46 14.381 -8.090 1.122 386 1HE LYS 46 HE2 LYS 46 13.684 -8.303 -1.141 387 2HE LYS 46 HE1 LYS 46 13.525 -9.950 -0.502 388 1HZ LYS 46 HZ1 LYS 46 11.225 -9.579 -0.053 389 2HZ LYS 46 HZ2 LYS 46 11.505 -9.133 -1.667 390 3HZ LYS 46 HZ3 LYS 46 11.341 -7.940 -0.471 391 H THR 47 HN THR 47 12.239 -7.945 5.817 392 HA THR 47 HA THR 47 13.569 -8.792 8.325 393 HB THR 47 HB THR 47 14.399 -6.312 6.790 394 HG1 THR 47 HG1 THR 47 15.817 -8.723 7.232 395 1HG2 THR 47 HG21 THR 47 14.965 -7.399 9.486 396 2HG2 THR 47 HG22 THR 47 15.009 -5.733 8.908 397 3HG2 THR 47 HG23 THR 47 16.365 -6.814 8.587 398 H GLY 48 HN GLY 48 10.834 -7.660 7.142 399 1HA GLY 48 HA2 GLY 48 9.078 -6.392 8.080 400 2HA GLY 48 HA1 GLY 48 10.063 -6.232 9.537 401 H GLN 49 HN GLN 49 10.533 -5.186 6.157 402 HA GLN 49 HA GLN 49 11.759 -2.684 6.986 403 1HB GLN 49 HB2 GLN 49 10.870 -3.914 4.380 404 2HB GLN 49 HB1 GLN 49 11.621 -2.319 4.449 405 1HG GLN 49 HG2 GLN 49 12.860 -4.830 5.614 406 2HG GLN 49 HG1 GLN 49 13.253 -4.185 4.019 407 1HE2 GLN 49 HE21 GLN 49 14.448 -4.213 7.089 408 2HE2 GLN 49 HE22 GLN 49 15.219 -2.701 7.121 409 H GLU 50 HN GLU 50 8.559 -3.591 5.710 410 HA GLU 50 HA GLU 50 6.660 -2.236 5.196 411 1HB GLU 50 HB2 GLU 50 5.896 -1.240 7.407 412 2HB GLU 50 HB1 GLU 50 6.352 -2.941 7.447 413 1HG GLU 50 HG2 GLU 50 8.491 -2.419 8.444 414 2HG GLU 50 HG1 GLU 50 8.231 -0.691 8.233 415 H TYR 51 HN TYR 51 7.183 -0.632 3.638 416 HA TYR 51 HA TYR 51 8.785 1.662 4.024 417 1HB TYR 51 HB2 TYR 51 7.737 2.445 1.992 418 2HB TYR 51 HB1 TYR 51 7.854 0.692 1.882 419 HD1 TYR 51 HD1 TYR 51 5.600 3.563 2.211 420 HD2 TYR 51 HD2 TYR 51 5.837 -0.725 2.127 421 HE1 TYR 51 HE1 TYR 51 3.149 3.437 1.859 422 HE2 TYR 51 HE2 TYR 51 3.385 -0.849 1.773 423 HH TYR 51 HH TYR 51 1.550 1.609 0.740 424 H LYS 52 HN LYS 52 8.361 3.755 4.757 425 HA LYS 52 HA LYS 52 6.410 4.103 6.828 426 1HB LYS 52 HB2 LYS 52 8.097 6.034 5.210 427 2HB LYS 52 HB1 LYS 52 7.201 6.493 6.656 428 1HG LYS 52 HG2 LYS 52 9.018 5.872 7.840 429 2HG LYS 52 HG1 LYS 52 8.591 4.209 7.450 430 1HD LYS 52 HD2 LYS 52 10.532 4.031 6.320 431 2HD LYS 52 HD1 LYS 52 9.917 5.206 5.159 432 1HE LYS 52 HE2 LYS 52 10.941 6.388 7.676 433 2HE LYS 52 HE1 LYS 52 12.168 5.614 6.653 434 1HZ LYS 52 HZ1 LYS 52 10.144 7.596 5.752 435 2HZ LYS 52 HZ2 LYS 52 11.268 6.815 4.746 436 3HZ LYS 52 HZ3 LYS 52 11.802 7.893 5.945 437 HA PRO 53 HA PRO 53 2.849 5.424 4.613 438 1HB PRO 53 HB2 PRO 53 1.770 7.261 6.333 439 2HB PRO 53 HB1 PRO 53 1.708 5.509 6.610 440 1HG PRO 53 HG2 PRO 53 3.526 7.547 7.790 441 2HG PRO 53 HG1 PRO 53 2.771 6.135 8.544 442 1HD PRO 53 HD2 PRO 53 5.371 6.192 7.741 443 2HD PRO 53 HD1 PRO 53 4.397 4.705 7.808 444 H GLY 54 HN GLY 54 5.454 7.571 5.204 445 1HA GLY 54 HA2 GLY 54 4.228 9.949 4.003 446 2HA GLY 54 HA1 GLY 54 5.923 9.749 4.413 447 H ASN 55 HN ASN 55 5.086 7.051 2.613 448 HA ASN 55 HA ASN 55 5.576 6.407 0.398 449 1HB ASN 55 HB2 ASN 55 4.068 8.928 0.382 450 2HB ASN 55 HB1 ASN 55 5.025 8.706 -1.081 451 1HD2 ASN 55 HD21 ASN 55 3.649 6.000 0.809 452 2HD2 ASN 55 HD22 ASN 55 2.553 5.509 -0.397 453 HA PRO 56 HA PRO 56 9.572 7.823 -0.800 454 1HB PRO 56 HB2 PRO 56 9.505 8.004 -3.536 455 2HB PRO 56 HB1 PRO 56 9.556 6.460 -2.662 456 1HG PRO 56 HG2 PRO 56 7.241 7.856 -3.901 457 2HG PRO 56 HG1 PRO 56 7.623 6.128 -3.851 458 1HD PRO 56 HD2 PRO 56 5.772 7.288 -2.234 459 2HD PRO 56 HD1 PRO 56 6.708 5.850 -1.768 460 HA PRO 57 HA PRO 57 9.392 12.226 -1.093 461 1HB PRO 57 HB2 PRO 57 11.957 12.794 -1.885 462 2HB PRO 57 HB1 PRO 57 11.536 12.309 -0.229 463 1HG PRO 57 HG2 PRO 57 12.630 10.656 -2.461 464 2HG PRO 57 HG1 PRO 57 13.081 10.672 -0.747 465 1HD PRO 57 HD2 PRO 57 11.481 8.769 -1.778 466 2HD PRO 57 HD1 PRO 57 11.272 9.380 -0.119
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