NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17300 | 2c0s | 7349 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 3HT MET 1 9.412 -4.715 2.934 2 H2 MET 1 2HT MET 1 9.416 -6.338 3.389 3 H3 MET 1 1HT MET 1 9.846 -5.173 4.498 4 HA MET 1 HA MET 1 11.779 -4.561 3.278 5 1HB MET 1 2HB MET 1 13.120 -6.567 3.641 6 2HB MET 1 1HB MET 1 12.029 -6.289 4.990 7 1HG MET 1 2HG MET 1 10.542 -8.009 4.175 8 2HG MET 1 1HG MET 1 11.560 -8.263 2.760 9 1HE MET 1 3HE MET 1 13.995 -9.233 2.854 10 2HE MET 1 2HE MET 1 14.500 -8.060 4.074 11 3HE MET 1 1HE MET 1 14.801 -9.770 4.328 12 QB MET 1 QB MET 1 12.575 -6.428 4.315 13 QG MET 1 QG MET 1 11.051 -8.136 3.467 14 ME MET 1 QE MET 1 14.432 -9.021 3.752 15 H ASN 2 H ASN 2 9.544 -6.355 1.398 16 HA ASN 2 HA ASN 2 11.466 -6.282 -0.774 17 1HB ASN 2 2HB ASN 2 11.149 -8.593 -0.137 18 2HB ASN 2 1HB ASN 2 9.397 -8.403 -0.186 19 1HD2 ASN 2 1HD2 ASN 2 12.303 -8.699 -2.047 20 2HD2 ASN 2 2HD2 ASN 2 11.524 -9.025 -3.548 21 QB ASN 2 QB ASN 2 10.273 -8.498 -0.162 22 QD ASN 2 QD2 ASN 2 11.914 -8.862 -2.798 23 H VAL 3 H VAL 3 10.758 -5.298 -2.574 24 HA VAL 3 HA VAL 3 8.435 -3.719 -2.324 25 HB VAL 3 HB VAL 3 8.940 -2.802 -4.540 26 1HG1 VAL 3 1HG1 VAL 3 11.324 -3.010 -2.706 27 2HG1 VAL 3 3HG1 VAL 3 11.113 -1.796 -3.969 28 3HG1 VAL 3 2HG1 VAL 3 10.012 -1.837 -2.591 29 1HG2 VAL 3 1HG2 VAL 3 9.802 -4.799 -5.629 30 2HG2 VAL 3 3HG2 VAL 3 10.972 -3.486 -5.741 31 3HG2 VAL 3 2HG2 VAL 3 11.214 -4.791 -4.578 32 MG1 VAL 3 QG1 VAL 3 10.816 -2.214 -3.089 33 MG2 VAL 3 QG2 VAL 3 10.663 -4.358 -5.316 34 QG VAL 3 QQG VAL 3 10.740 -3.286 -4.203 35 H THR 4 H THR 4 8.935 -6.773 -4.031 36 HA THR 4 HA THR 4 6.547 -6.271 -5.550 37 HB THR 4 HB THR 4 8.476 -7.798 -6.417 38 HG1 THR 4 1HG THR 4 5.774 -8.751 -6.566 39 1HG2 THR 4 2HG2 THR 4 6.973 -9.819 -4.744 40 2HG2 THR 4 1HG2 THR 4 8.224 -10.195 -5.933 41 3HG2 THR 4 3HG2 THR 4 8.632 -9.289 -4.471 42 MG THR 4 QG2 THR 4 7.943 -9.767 -5.050 43 H LYS 5 H LYS 5 7.374 -7.759 -2.562 44 HA LYS 5 HA LYS 5 4.856 -8.989 -2.063 45 1HB LYS 5 2HB LYS 5 6.892 -7.881 -0.113 46 2HB LYS 5 1HB LYS 5 5.503 -8.855 0.331 47 1HG LYS 5 2HG LYS 5 7.789 -9.773 -1.404 48 2HG LYS 5 1HG LYS 5 7.596 -10.119 0.313 49 1HD LYS 5 2HD LYS 5 5.458 -11.265 -0.207 50 2HD LYS 5 1HD LYS 5 5.770 -10.994 -1.924 51 1HE LYS 5 2HE LYS 5 6.448 -13.242 -1.306 52 2HE LYS 5 1HE LYS 5 7.861 -12.284 -1.729 53 1HZ LYS 5 1HZ LYS 5 6.948 -12.871 1.040 54 2HZ LYS 5 3HZ LYS 5 8.250 -13.600 0.283 55 3HZ LYS 5 2HZ LYS 5 8.302 -11.973 0.657 56 QB LYS 5 QB LYS 5 6.198 -8.368 0.109 57 QD LYS 5 QD LYS 5 5.614 -11.129 -1.066 58 QG LYS 5 QG LYS 5 7.693 -9.946 -0.546 59 QE LYS 5 QE LYS 5 7.155 -12.763 -1.518 60 QZ LYS 5 QZ LYS 5 7.833 -12.814 0.660 61 H LEU 6 H LEU 6 6.248 -5.824 -1.433 62 HA LEU 6 HA LEU 6 4.114 -4.645 -0.073 63 1HB LEU 6 2HB LEU 6 6.389 -3.648 -0.329 64 2HB LEU 6 1HB LEU 6 6.028 -3.369 -2.020 65 HG LEU 6 HG LEU 6 4.322 -1.713 -1.420 66 1HD1 LEU 6 3HD1 LEU 6 5.104 -2.325 1.418 67 2HD1 LEU 6 2HD1 LEU 6 4.050 -1.007 0.902 68 3HD1 LEU 6 1HD1 LEU 6 3.551 -2.684 0.665 69 1HD2 LEU 6 1HD2 LEU 6 6.634 -0.981 -1.709 70 2HD2 LEU 6 3HD2 LEU 6 5.801 -0.018 -0.493 71 3HD2 LEU 6 2HD2 LEU 6 6.943 -1.266 0.005 72 MD1 LEU 6 QD1 LEU 6 4.235 -2.005 0.995 73 MD2 LEU 6 QD2 LEU 6 6.459 -0.755 -0.733 74 QB LEU 6 QB LEU 6 6.209 -3.508 -1.175 75 QD LEU 6 QQD LEU 6 5.347 -1.380 0.131 76 H ASN 7 H ASN 7 4.902 -4.653 -3.527 77 HA ASN 7 HA ASN 7 2.708 -3.320 -4.559 78 1HB ASN 7 2HB ASN 7 4.647 -3.938 -5.931 79 2HB ASN 7 1HB ASN 7 4.220 -5.638 -5.797 80 1HD2 ASN 7 1HD2 ASN 7 3.522 -2.635 -7.343 81 2HD2 ASN 7 2HD2 ASN 7 2.418 -3.246 -8.514 82 QB ASN 7 QB ASN 7 4.434 -4.788 -5.864 83 QD ASN 7 QD2 ASN 7 2.970 -2.940 -7.929 84 H ASP 8 H ASP 8 3.059 -6.702 -3.705 85 HA ASP 8 HA ASP 8 0.610 -7.673 -4.714 86 1HB ASP 8 2HB ASP 8 2.401 -9.210 -4.198 87 2HB ASP 8 1HB ASP 8 2.391 -8.699 -2.514 88 QB ASP 8 QB ASP 8 2.396 -8.954 -3.356 89 H ARG 9 H ARG 9 1.557 -6.647 -1.447 90 HA ARG 9 HA ARG 9 -0.954 -7.059 -0.304 91 1HB ARG 9 2HB ARG 9 1.467 -5.505 0.457 92 2HB ARG 9 1HB ARG 9 -0.017 -5.238 1.351 93 1HG ARG 9 2HG ARG 9 1.462 -6.874 2.439 94 2HG ARG 9 1HG ARG 9 -0.112 -7.529 2.001 95 1HD ARG 9 2HD ARG 9 0.851 -8.710 0.128 96 2HD ARG 9 1HD ARG 9 2.418 -7.949 0.408 97 HE ARG 9 HE ARG 9 2.149 -9.099 2.694 98 1HH1 ARG 9 1HH1 ARG 9 1.186 -10.584 -0.441 99 2HH1 ARG 9 2HH1 ARG 9 1.494 -12.148 0.096 100 1HH2 ARG 9 1HH2 ARG 9 2.580 -11.299 3.352 101 2HH2 ARG 9 2HH2 ARG 9 2.253 -12.588 2.298 102 QB ARG 9 QB ARG 9 0.725 -5.371 0.904 103 QG ARG 9 QG ARG 9 0.675 -7.201 2.220 104 QD ARG 9 QD ARG 9 1.635 -8.329 0.268 105 QH1 ARG 9 QH1 ARG 9 1.340 -11.366 -0.173 106 QH2 ARG 9 QH2 ARG 9 2.417 -11.943 2.825 107 H ILE 10 H ILE 10 0.303 -4.409 -2.147 108 HA ILE 10 HA ILE 10 -1.832 -2.590 -1.613 109 HB ILE 10 HB ILE 10 -0.077 -2.789 -4.094 110 1HG1 ILE 10 2HG1 ILE 10 0.210 -1.040 -1.674 111 2HG1 ILE 10 1HG1 ILE 10 1.165 -2.492 -1.959 112 1HG2 ILE 10 3HG2 ILE 10 -2.156 -1.473 -4.385 113 2HG2 ILE 10 2HG2 ILE 10 -1.667 -0.448 -3.038 114 3HG2 ILE 10 1HG2 ILE 10 -0.704 -0.468 -4.511 115 1HD1 ILE 10 1HD1 ILE 10 2.092 -1.447 -3.979 116 2HD1 ILE 10 3HD1 ILE 10 1.150 0.002 -3.641 117 3HD1 ILE 10 2HD1 ILE 10 2.420 -0.501 -2.527 118 MG ILE 10 QG2 ILE 10 -1.509 -0.796 -3.978 119 MD ILE 10 QD1 ILE 10 1.887 -0.648 -3.383 120 QG ILE 10 QG1 ILE 10 0.688 -1.766 -1.817 121 H GLU 11 H GLU 11 -1.151 -4.970 -4.094 122 HA GLU 11 HA GLU 11 -3.339 -4.638 -5.783 123 1HB GLU 11 2HB GLU 11 -1.288 -5.938 -6.266 124 2HB GLU 11 1HB GLU 11 -1.813 -7.145 -5.115 125 1HG GLU 11 2HG GLU 11 -3.717 -7.685 -6.498 126 2HG GLU 11 1HG GLU 11 -3.257 -6.425 -7.647 127 QB GLU 11 QB GLU 11 -1.550 -6.541 -5.691 128 QG GLU 11 QG GLU 11 -3.487 -7.055 -7.073 129 H ALA 12 H ALA 12 -2.888 -6.817 -3.061 130 HA ALA 12 HA ALA 12 -5.430 -8.000 -3.124 131 1HB ALA 12 2HB ALA 12 -3.514 -8.952 -1.937 132 2HB ALA 12 3HB ALA 12 -4.923 -8.787 -0.884 133 3HB ALA 12 1HB ALA 12 -3.591 -7.636 -0.768 134 MB ALA 12 QB ALA 12 -4.009 -8.458 -1.197 135 H LYS 13 H LYS 13 -4.269 -5.028 -1.723 136 HA LYS 13 HA LYS 13 -6.566 -4.738 -0.023 137 1HB LYS 13 2HB LYS 13 -4.380 -3.821 0.666 138 2HB LYS 13 1HB LYS 13 -4.386 -2.735 -0.698 139 1HG LYS 13 2HG LYS 13 -4.954 -1.574 1.383 140 2HG LYS 13 1HG LYS 13 -6.299 -1.528 0.248 141 1HD LYS 13 2HD LYS 13 -7.068 -1.953 2.536 142 2HD LYS 13 1HD LYS 13 -7.418 -3.316 1.480 143 1HE LYS 13 2HE LYS 13 -6.624 -4.074 3.650 144 2HE LYS 13 1HE LYS 13 -5.484 -4.520 2.394 145 1HZ LYS 13 1HZ LYS 13 -5.168 -2.177 4.229 146 2HZ LYS 13 3HZ LYS 13 -4.450 -3.674 4.427 147 3HZ LYS 13 2HZ LYS 13 -4.018 -2.738 3.115 148 QB LYS 13 QB LYS 13 -4.383 -3.278 -0.016 149 QD LYS 13 QD LYS 13 -7.243 -2.634 2.008 150 QG LYS 13 QG LYS 13 -5.626 -1.551 0.815 151 QE LYS 13 QE LYS 13 -6.054 -4.297 3.022 152 QZ LYS 13 QZ LYS 13 -4.545 -2.863 3.923 153 H LYS 14 H LYS 14 -5.450 -3.410 -3.102 154 HA LYS 14 HA LYS 14 -7.534 -1.774 -3.811 155 1HB LYS 14 2HB LYS 14 -6.075 -3.819 -5.490 156 2HB LYS 14 1HB LYS 14 -7.182 -2.638 -6.163 157 1HG LYS 14 2HG LYS 14 -5.733 -0.838 -5.510 158 2HG LYS 14 1HG LYS 14 -4.696 -1.969 -4.622 159 1HD LYS 14 2HD LYS 14 -4.045 -3.055 -6.582 160 2HD LYS 14 1HD LYS 14 -5.218 -2.171 -7.569 161 1HE LYS 14 2HE LYS 14 -4.004 -0.101 -7.148 162 2HE LYS 14 1HE LYS 14 -2.863 -0.950 -6.111 163 1HZ LYS 14 1HZ LYS 14 -3.257 -1.470 -9.004 164 2HZ LYS 14 3HZ LYS 14 -1.999 -0.578 -8.336 165 3HZ LYS 14 2HZ LYS 14 -2.108 -2.212 -8.005 166 QB LYS 14 QB LYS 14 -6.628 -3.228 -5.827 167 QD LYS 14 QD LYS 14 -4.631 -2.613 -7.076 168 QG LYS 14 QG LYS 14 -5.214 -1.403 -5.066 169 QE LYS 14 QE LYS 14 -3.433 -0.525 -6.630 170 QZ LYS 14 QZ LYS 14 -2.455 -1.420 -8.449 171 H LYS 15 H LYS 15 -7.331 -5.300 -4.262 172 HA LYS 15 HA LYS 15 -9.908 -5.675 -5.346 173 1HB LYS 15 2HB LYS 15 -8.109 -7.600 -3.892 174 2HB LYS 15 1HB LYS 15 -9.575 -8.078 -4.728 175 1HG LYS 15 2HG LYS 15 -7.174 -6.778 -6.011 176 2HG LYS 15 1HG LYS 15 -7.539 -8.498 -6.044 177 1HD LYS 15 2HD LYS 15 -9.255 -6.300 -7.239 178 2HD LYS 15 1HD LYS 15 -8.202 -7.385 -8.136 179 1HE LYS 15 2HE LYS 15 -9.541 -9.311 -7.350 180 2HE LYS 15 1HE LYS 15 -10.614 -8.205 -6.507 181 1HZ LYS 15 3HZ LYS 15 -11.197 -7.214 -8.656 182 2HZ LYS 15 2HZ LYS 15 -10.173 -8.297 -9.441 183 3HZ LYS 15 1HZ LYS 15 -11.524 -8.861 -8.614 184 QB LYS 15 QB LYS 15 -8.842 -7.839 -4.310 185 QD LYS 15 QD LYS 15 -8.728 -6.842 -7.688 186 QG LYS 15 QG LYS 15 -7.356 -7.638 -6.028 187 QE LYS 15 QE LYS 15 -10.077 -8.758 -6.929 188 QZ LYS 15 QZ LYS 15 -10.965 -8.124 -8.904 189 H GLU 16 H GLU 16 -8.749 -5.869 -2.032 190 HA GLU 16 HA GLU 16 -11.141 -6.733 -0.853 191 1HB GLU 16 2HB GLU 16 -8.928 -6.758 0.244 192 2HB GLU 16 1HB GLU 16 -8.943 -5.008 0.302 193 1HG GLU 16 2HG GLU 16 -10.802 -5.028 1.831 194 2HG GLU 16 1HG GLU 16 -10.932 -6.782 1.698 195 QB GLU 16 QB GLU 16 -8.935 -5.883 0.273 196 QG GLU 16 QG GLU 16 -10.867 -5.905 1.764 197 H LEU 17 H LEU 17 -9.831 -3.527 -1.489 198 HA LEU 17 HA LEU 17 -11.820 -1.988 -0.297 199 1HB LEU 17 2HB LEU 17 -9.497 -1.320 -1.185 200 2HB LEU 17 1HB LEU 17 -10.235 -1.231 -2.760 201 HG LEU 17 HG LEU 17 -9.892 0.981 -1.675 202 1HD1 LEU 17 1HD1 LEU 17 -11.628 0.782 -3.361 203 2HD1 LEU 17 3HD1 LEU 17 -12.770 0.307 -2.097 204 3HD1 LEU 17 2HD1 LEU 17 -12.075 1.925 -2.082 205 1HD2 LEU 17 2HD2 LEU 17 -10.259 0.299 0.619 206 2HD2 LEU 17 1HD2 LEU 17 -11.298 1.654 0.175 207 3HD2 LEU 17 3HD2 LEU 17 -11.966 0.029 0.282 208 MD1 LEU 17 QD1 LEU 17 -12.158 1.005 -2.514 209 MD2 LEU 17 QD2 LEU 17 -11.174 0.661 0.358 210 QB LEU 17 QB LEU 17 -9.866 -1.275 -1.973 211 QD LEU 17 QQD LEU 17 -11.666 0.833 -1.078 212 H ILE 18 H ILE 18 -11.489 -3.181 -3.627 213 HA ILE 18 HA ILE 18 -13.781 -2.050 -4.784 214 HB ILE 18 HB ILE 18 -12.593 -4.780 -5.419 215 1HG1 ILE 18 2HG1 ILE 18 -12.072 -2.088 -6.691 216 2HG1 ILE 18 1HG1 ILE 18 -10.978 -2.916 -5.596 217 1HG2 ILE 18 3HG2 ILE 18 -14.393 -3.012 -7.080 218 2HG2 ILE 18 2HG2 ILE 18 -13.639 -4.501 -7.637 219 3HG2 ILE 18 1HG2 ILE 18 -14.841 -4.550 -6.344 220 1HD1 ILE 18 3HD1 ILE 18 -10.740 -4.732 -7.223 221 2HD1 ILE 18 2HD1 ILE 18 -11.832 -3.882 -8.312 222 3HD1 ILE 18 1HD1 ILE 18 -10.270 -3.171 -7.900 223 MG ILE 18 QG2 ILE 18 -14.291 -4.021 -7.021 224 MD ILE 18 QD1 ILE 18 -10.947 -3.928 -7.812 225 QG ILE 18 QG1 ILE 18 -11.525 -2.502 -6.144 226 H TYR 19 H TYR 19 -13.402 -5.073 -3.052 227 HA TYR 19 HA TYR 19 -16.018 -6.068 -3.341 228 1HB TYR 19 2HB TYR 19 -14.119 -7.448 -2.628 229 2HB TYR 19 1HB TYR 19 -13.991 -6.526 -1.138 230 HD1 TYR 19 1HD TYR 19 -16.075 -8.918 -3.008 231 HD2 TYR 19 2HD TYR 19 -15.375 -7.026 0.734 232 HE1 TYR 19 1HE TYR 19 -17.630 -10.482 -1.932 233 HE2 TYR 19 2HE TYR 19 -16.928 -8.586 1.818 234 HH TYR 19 HH TYR 19 -18.136 -11.376 0.277 235 QB TYR 19 QB TYR 19 -14.055 -6.987 -1.883 236 QD TYR 19 QD TYR 19 -15.725 -7.972 -1.137 237 QE TYR 19 QE TYR 19 -17.279 -9.534 -0.057 238 QR TYR 19 QR TYR 19 -16.502 -8.753 -0.597 239 H LEU 20 H LEU 20 -14.547 -3.962 -0.963 240 HA LEU 20 HA LEU 20 -16.811 -3.859 0.746 241 1HB LEU 20 2HB LEU 20 -14.435 -2.021 0.563 242 2HB LEU 20 1HB LEU 20 -15.614 -2.032 1.864 243 HG LEU 20 HG LEU 20 -13.775 -4.322 1.170 244 1HD1 LEU 20 3HD1 LEU 20 -12.551 -2.452 2.083 245 2HD1 LEU 20 2HD1 LEU 20 -13.674 -2.364 3.441 246 3HD1 LEU 20 1HD1 LEU 20 -12.636 -3.776 3.245 247 1HD2 LEU 20 3HD2 LEU 20 -15.680 -3.956 3.485 248 2HD2 LEU 20 2HD2 LEU 20 -15.873 -5.095 2.153 249 3HD2 LEU 20 1HD2 LEU 20 -14.542 -5.288 3.288 250 MD1 LEU 20 QD1 LEU 20 -12.954 -2.864 2.923 251 MD2 LEU 20 QD2 LEU 20 -15.365 -4.779 2.975 252 QB LEU 20 QB LEU 20 -15.024 -2.026 1.213 253 QD LEU 20 QQD LEU 20 -14.159 -3.822 2.949 254 H VAL 21 H VAL 21 -15.750 -1.958 -1.984 255 HA VAL 21 HA VAL 21 -17.548 0.207 -1.691 256 HB VAL 21 HB VAL 21 -16.486 -0.984 -4.290 257 1HG1 VAL 21 1HG1 VAL 21 -18.427 0.449 -4.674 258 2HG1 VAL 21 3HG1 VAL 21 -17.662 1.747 -3.761 259 3HG1 VAL 21 2HG1 VAL 21 -16.956 1.209 -5.284 260 1HG2 VAL 21 2HG2 VAL 21 -14.703 -0.281 -2.809 261 2HG2 VAL 21 1HG2 VAL 21 -14.814 0.794 -4.201 262 3HG2 VAL 21 3HG2 VAL 21 -15.452 1.307 -2.637 263 MG1 VAL 21 QG1 VAL 21 -17.682 1.135 -4.573 264 MG2 VAL 21 QG2 VAL 21 -14.990 0.607 -3.216 265 QG VAL 21 QQG VAL 21 -16.336 0.871 -3.895 266 H GLU 22 H GLU 22 -17.871 -2.969 -3.053 267 HA GLU 22 HA GLU 22 -20.413 -2.608 -4.223 268 1HB GLU 22 2HB GLU 22 -19.122 -5.151 -3.249 269 2HB GLU 22 1HB GLU 22 -20.491 -5.045 -4.349 270 1HG GLU 22 2HG GLU 22 -17.713 -4.024 -4.886 271 2HG GLU 22 1HG GLU 22 -18.419 -5.492 -5.547 272 QB GLU 22 QB GLU 22 -19.806 -5.098 -3.799 273 QG GLU 22 QG GLU 22 -18.066 -4.758 -5.217 274 H LYS 23 H LYS 23 -19.416 -3.837 -1.059 275 HA LYS 23 HA LYS 23 -22.175 -4.208 -0.313 276 1HB LYS 23 2HB LYS 23 -19.633 -4.807 1.124 277 2HB LYS 23 1HB LYS 23 -21.152 -4.759 2.007 278 1HG LYS 23 2HG LYS 23 -22.065 -6.430 0.428 279 2HG LYS 23 1HG LYS 23 -20.471 -6.538 -0.320 280 1HD LYS 23 2HD LYS 23 -19.508 -7.428 1.658 281 2HD LYS 23 1HD LYS 23 -20.932 -7.021 2.616 282 1HE LYS 23 2HE LYS 23 -20.886 -9.407 2.158 283 2HE LYS 23 1HE LYS 23 -22.248 -8.657 1.336 284 1HZ LYS 23 3HZ LYS 23 -20.835 -8.670 -0.725 285 2HZ LYS 23 2HZ LYS 23 -19.700 -9.592 0.159 286 3HZ LYS 23 1HZ LYS 23 -21.222 -10.197 -0.105 287 QB LYS 23 QB LYS 23 -20.392 -4.783 1.565 288 QD LYS 23 QD LYS 23 -20.220 -7.224 2.137 289 QG LYS 23 QG LYS 23 -21.268 -6.484 0.054 290 QE LYS 23 QE LYS 23 -21.567 -9.032 1.747 291 QZ LYS 23 QZ LYS 23 -20.586 -9.486 -0.224 292 H TYR 24 H TYR 24 -19.760 -1.795 0.477 293 HA TYR 24 HA TYR 24 -21.699 -0.602 2.348 294 1HB TYR 24 2HB TYR 24 -18.727 -0.182 2.115 295 2HB TYR 24 1HB TYR 24 -19.776 0.665 3.244 296 HD1 TYR 24 1HD TYR 24 -20.745 -0.493 5.140 297 HD2 TYR 24 2HD TYR 24 -18.126 -2.490 2.461 298 HE1 TYR 24 1HE TYR 24 -20.475 -2.316 6.764 299 HE2 TYR 24 2HE TYR 24 -17.853 -4.315 4.076 300 HH TYR 24 HH TYR 24 -19.894 -4.662 6.718 301 QB TYR 24 QB TYR 24 -19.251 0.242 2.679 302 QD TYR 24 QD TYR 24 -19.435 -1.491 3.800 303 QE TYR 24 QE TYR 24 -19.164 -3.315 5.420 304 QR TYR 24 QR TYR 24 -19.300 -2.403 4.610 305 H GLY 25 H GLY 25 -19.671 0.131 -0.393 306 1HA GLY 25 1HA GLY 25 -21.118 2.669 -0.681 307 2HA GLY 25 2HA GLY 25 -20.377 1.772 -2.006 308 QA GLY 25 QA GLY 25 -20.747 2.221 -1.344 309 H PHE 26 H PHE 26 -19.195 3.700 -2.537 310 HA PHE 26 HA PHE 26 -16.612 3.659 -1.289 311 1HB PHE 26 2HB PHE 26 -16.985 3.881 -3.769 312 2HB PHE 26 1HB PHE 26 -17.582 5.508 -3.473 313 HD1 PHE 26 1HD PHE 26 -16.087 7.301 -3.492 314 HD2 PHE 26 2HD PHE 26 -14.604 3.349 -2.960 315 HE1 PHE 26 1HE PHE 26 -13.790 8.147 -3.642 316 HE2 PHE 26 2HE PHE 26 -12.299 4.193 -3.107 317 HZ PHE 26 HZ PHE 26 -11.889 6.592 -3.444 318 QB PHE 26 QB PHE 26 -17.283 4.695 -3.621 319 QD PHE 26 QD PHE 26 -15.345 5.325 -3.226 320 QE PHE 26 QE PHE 26 -13.044 6.170 -3.375 321 QR PHE 26 QR PHE 26 -13.734 5.917 -3.329 322 H THR 27 H THR 27 -19.427 5.484 -0.810 323 HA THR 27 HA THR 27 -18.090 7.814 0.246 324 HB THR 27 HB THR 27 -21.029 7.129 0.492 325 HG1 THR 27 1HG THR 27 -21.296 7.612 -1.570 326 1HG2 THR 27 1HG2 THR 27 -20.200 9.157 1.663 327 2HG2 THR 27 3HG2 THR 27 -19.553 9.757 0.135 328 3HG2 THR 27 2HG2 THR 27 -21.294 9.567 0.344 329 MG THR 27 QG2 THR 27 -20.349 9.494 0.714 330 H HIS 28 H HIS 28 -18.547 4.753 1.356 331 HA HIS 28 HA HIS 28 -19.367 5.350 4.035 332 1HB HIS 28 2HB HIS 28 -20.006 3.201 3.078 333 2HB HIS 28 1HB HIS 28 -18.322 2.793 2.790 334 HD1 HIS 28 1HD HIS 28 -20.654 3.428 5.766 335 HD2 HIS 28 2HD HIS 28 -17.157 1.434 4.767 336 HE1 HIS 28 1HE HIS 28 -19.967 2.166 7.811 337 QB HIS 28 QB HIS 28 -19.164 2.997 2.934 338 H HIS 29 H HIS 29 -18.177 5.539 5.786 339 HA HIS 29 HA HIS 29 -15.764 6.842 5.762 340 1HB HIS 29 2HB HIS 29 -16.774 5.149 8.048 341 2HB HIS 29 1HB HIS 29 -15.629 6.477 8.160 342 HD1 HIS 29 1HD HIS 29 -18.911 5.889 9.079 343 HD2 HIS 29 2HD HIS 29 -17.129 8.898 6.826 344 HE1 HIS 29 1HE HIS 29 -20.504 7.799 9.110 345 QB HIS 29 QB HIS 29 -16.201 5.813 8.104 346 H LYS 30 H LYS 30 -16.223 3.370 6.405 347 HA LYS 30 HA LYS 30 -13.492 2.877 6.911 348 1HB LYS 30 2HB LYS 30 -15.638 0.936 6.029 349 2HB LYS 30 1HB LYS 30 -14.033 0.473 6.571 350 1HG LYS 30 2HG LYS 30 -14.475 1.389 8.767 351 2HG LYS 30 1HG LYS 30 -16.060 1.951 8.237 352 1HD LYS 30 2HD LYS 30 -16.733 -0.363 7.805 353 2HD LYS 30 1HD LYS 30 -15.147 -0.925 8.333 354 1HE LYS 30 2HE LYS 30 -17.097 0.605 10.059 355 2HE LYS 30 1HE LYS 30 -16.919 -1.145 10.062 356 1HZ LYS 30 2HZ LYS 30 -14.617 -0.847 10.763 357 2HZ LYS 30 1HZ LYS 30 -14.807 0.823 10.818 358 3HZ LYS 30 3HZ LYS 30 -15.683 -0.177 11.866 359 QB LYS 30 QB LYS 30 -14.835 0.705 6.300 360 QD LYS 30 QD LYS 30 -15.940 -0.644 8.069 361 QG LYS 30 QG LYS 30 -15.267 1.670 8.502 362 QE LYS 30 QE LYS 30 -17.008 -0.270 10.060 363 QZ LYS 30 QZ LYS 30 -15.036 -0.067 11.149 364 H VAL 31 H VAL 31 -15.391 2.754 3.966 365 HA VAL 31 HA VAL 31 -13.354 1.577 2.390 366 HB VAL 31 HB VAL 31 -15.734 3.259 1.512 367 1HG1 VAL 31 3HG1 VAL 31 -13.961 1.391 -0.056 368 2HG1 VAL 31 2HG1 VAL 31 -15.455 2.096 -0.655 369 3HG1 VAL 31 1HG1 VAL 31 -14.079 3.137 -0.260 370 1HG2 VAL 31 1HG2 VAL 31 -16.403 1.294 2.781 371 2HG2 VAL 31 3HG2 VAL 31 -16.828 1.114 1.080 372 3HG2 VAL 31 2HG2 VAL 31 -15.425 0.268 1.737 373 MG1 VAL 31 QG1 VAL 31 -14.498 2.208 -0.324 374 MG2 VAL 31 QG2 VAL 31 -16.219 0.892 1.866 375 QG VAL 31 QQG VAL 31 -15.358 1.550 0.771 376 H ILE 32 H ILE 32 -14.300 4.885 3.103 377 HA ILE 32 HA ILE 32 -12.451 6.197 1.431 378 HB ILE 32 HB ILE 32 -13.578 7.106 4.104 379 1HG1 ILE 32 2HG1 ILE 32 -14.495 7.721 1.279 380 2HG1 ILE 32 1HG1 ILE 32 -15.294 6.615 2.387 381 1HG2 ILE 32 3HG2 ILE 32 -12.234 8.718 1.929 382 2HG2 ILE 32 2HG2 ILE 32 -13.017 9.395 3.357 383 3HG2 ILE 32 1HG2 ILE 32 -11.578 8.386 3.533 384 1HD1 ILE 32 2HD1 ILE 32 -15.779 8.485 3.890 385 2HD1 ILE 32 1HD1 ILE 32 -14.967 9.581 2.771 386 3HD1 ILE 32 3HD1 ILE 32 -16.443 8.750 2.276 387 MG ILE 32 QG2 ILE 32 -12.276 8.833 2.939 388 MD ILE 32 QD1 ILE 32 -15.730 8.939 2.979 389 QG ILE 32 QG1 ILE 32 -14.894 7.168 1.833 390 H SER 33 H SER 33 -12.190 5.227 4.845 391 HA SER 33 HA SER 33 -9.560 6.146 5.143 392 1HB SER 33 2HB SER 33 -9.589 4.620 7.225 393 2HB SER 33 1HB SER 33 -10.759 5.937 7.143 394 HG SER 33 HG SER 33 -12.329 4.576 6.729 395 QB SER 33 QB SER 33 -10.174 5.279 7.184 396 H PHE 34 H PHE 34 -10.770 2.949 4.177 397 HA PHE 34 HA PHE 34 -8.178 1.804 4.127 398 1HB PHE 34 2HB PHE 34 -10.642 0.973 2.592 399 2HB PHE 34 1HB PHE 34 -9.139 0.061 2.605 400 HD1 PHE 34 1HD PHE 34 -12.192 -0.318 3.582 401 HD2 PHE 34 2HD PHE 34 -8.406 0.126 5.447 402 HE1 PHE 34 1HE PHE 34 -13.028 -1.533 5.549 403 HE2 PHE 34 2HE PHE 34 -9.224 -1.090 7.418 404 HZ PHE 34 HZ PHE 34 -11.542 -1.924 7.475 405 QB PHE 34 QB PHE 34 -9.890 0.517 2.598 406 QD PHE 34 QD PHE 34 -10.299 -0.096 4.514 407 QE PHE 34 QE PHE 34 -11.126 -1.311 6.483 408 QR PHE 34 QR PHE 34 -10.878 -0.948 5.894 409 H SER 35 H SER 35 -10.000 3.681 1.795 410 HA SER 35 HA SER 35 -8.245 3.272 -0.362 411 1HB SER 35 2HB SER 35 -10.038 5.633 0.266 412 2HB SER 35 1HB SER 35 -9.217 5.389 -1.276 413 HG SER 35 HG SER 35 -11.254 3.820 -0.086 414 QB SER 35 QB SER 35 -9.627 5.511 -0.505 415 H GLN 36 H GLN 36 -8.196 5.543 2.335 416 HA GLN 36 HA GLN 36 -5.966 7.078 1.474 417 1HB GLN 36 2HB GLN 36 -6.827 6.443 4.297 418 2HB GLN 36 1HB GLN 36 -5.735 7.731 3.825 419 1HG GLN 36 2HG GLN 36 -7.550 8.844 2.647 420 2HG GLN 36 1HG GLN 36 -8.649 7.534 3.092 421 1HE2 GLN 36 1HE2 GLN 36 -8.804 10.351 3.766 422 2HE2 GLN 36 2HE2 GLN 36 -8.776 10.429 5.496 423 QB GLN 36 QB GLN 36 -6.281 7.087 4.061 424 QG GLN 36 QG GLN 36 -8.099 8.189 2.869 425 QE GLN 36 QE2 GLN 36 -8.790 10.390 4.631 426 H GLU 37 H GLU 37 -6.334 4.141 3.300 427 HA GLU 37 HA GLU 37 -3.623 3.767 4.043 428 1HB GLU 37 2HB GLU 37 -5.525 2.696 5.166 429 2HB GLU 37 1HB GLU 37 -5.864 1.772 3.717 430 1HG GLU 37 2HG GLU 37 -3.763 0.588 3.953 431 2HG GLU 37 1HG GLU 37 -3.365 1.557 5.374 432 QB GLU 37 QB GLU 37 -5.694 2.234 4.441 433 QG GLU 37 QG GLU 37 -3.564 1.073 4.663 434 H LEU 38 H LEU 38 -5.592 2.593 1.370 435 HA LEU 38 HA LEU 38 -3.675 1.001 0.091 436 1HB LEU 38 2HB LEU 38 -6.136 1.020 -0.324 437 2HB LEU 38 1HB LEU 38 -5.965 2.571 -1.104 438 HG LEU 38 HG LEU 38 -4.698 1.492 -2.965 439 1HD1 LEU 38 2HD1 LEU 38 -3.601 -0.200 -1.627 440 2HD1 LEU 38 1HD1 LEU 38 -5.152 -1.027 -1.451 441 3HD1 LEU 38 3HD1 LEU 38 -4.420 -0.851 -3.044 442 1HD2 LEU 38 1HD2 LEU 38 -7.165 1.618 -3.023 443 2HD2 LEU 38 3HD2 LEU 38 -6.515 0.213 -3.866 444 3HD2 LEU 38 2HD2 LEU 38 -7.232 0.028 -2.264 445 MD1 LEU 38 QD1 LEU 38 -4.391 -0.692 -2.041 446 MD2 LEU 38 QD2 LEU 38 -6.971 0.620 -3.051 447 QB LEU 38 QB LEU 38 -6.050 1.796 -0.714 448 QD LEU 38 QQD LEU 38 -5.681 -0.036 -2.546 449 H ASP 39 H ASP 39 -4.550 4.379 -0.212 450 HA ASP 39 HA ASP 39 -2.771 5.208 -2.211 451 1HB ASP 39 2HB ASP 39 -4.546 6.675 -1.558 452 2HB ASP 39 1HB ASP 39 -4.022 6.668 0.116 453 QB ASP 39 QB ASP 39 -4.284 6.672 -0.721 454 H ARG 40 H ARG 40 -2.390 4.941 1.266 455 HA ARG 40 HA ARG 40 0.125 6.112 1.559 456 1HB ARG 40 2HB ARG 40 -1.296 5.588 3.465 457 2HB ARG 40 1HB ARG 40 -1.141 3.872 3.141 458 1HG ARG 40 2HG ARG 40 1.273 4.027 3.637 459 2HG ARG 40 1HG ARG 40 1.056 5.731 4.034 460 1HD ARG 40 2HD ARG 40 -0.330 3.428 5.398 461 2HD ARG 40 1HD ARG 40 1.062 4.301 6.037 462 HE ARG 40 HE ARG 40 -0.410 6.308 5.932 463 1HH1 ARG 40 1HH1 ARG 40 -1.735 3.065 6.528 464 2HH1 ARG 40 2HH1 ARG 40 -3.106 3.644 7.368 465 1HH2 ARG 40 1HH2 ARG 40 -2.365 7.060 7.110 466 2HH2 ARG 40 2HH2 ARG 40 -3.450 5.888 7.698 467 QB ARG 40 QB ARG 40 -1.218 4.730 3.303 468 QG ARG 40 QG ARG 40 1.165 4.879 3.835 469 QD ARG 40 QD ARG 40 0.366 3.865 5.717 470 QH1 ARG 40 QH1 ARG 40 -2.420 3.355 6.948 471 QH2 ARG 40 QH2 ARG 40 -2.907 6.474 7.404 472 H LEU 41 H LEU 41 -0.691 2.691 0.941 473 HA LEU 41 HA LEU 41 2.061 1.968 0.845 474 1HB LEU 41 2HB LEU 41 -0.398 0.445 0.024 475 2HB LEU 41 1HB LEU 41 1.222 -0.128 -0.318 476 HG LEU 41 HG LEU 41 1.687 -0.160 2.119 477 1HD1 LEU 41 1HD1 LEU 41 0.037 1.440 2.895 478 2HD1 LEU 41 3HD1 LEU 41 -1.264 0.358 2.404 479 3HD1 LEU 41 2HD1 LEU 41 -0.165 -0.118 3.696 480 1HD2 LEU 41 2HD2 LEU 41 1.085 -2.154 0.885 481 2HD2 LEU 41 1HD2 LEU 41 0.432 -2.207 2.523 482 3HD2 LEU 41 3HD2 LEU 41 -0.625 -1.830 1.163 483 MD1 LEU 41 QD1 LEU 41 -0.464 0.560 2.998 484 MD2 LEU 41 QD2 LEU 41 0.297 -2.063 1.523 485 QB LEU 41 QB LEU 41 0.412 0.159 -0.147 486 QD LEU 41 QQD LEU 41 -0.083 -0.752 2.261 487 H LEU 42 H LEU 42 -0.265 2.921 -1.553 488 HA LEU 42 HA LEU 42 1.280 2.315 -3.842 489 1HB LEU 42 2HB LEU 42 -1.189 2.915 -3.724 490 2HB LEU 42 1HB LEU 42 -0.713 4.571 -3.464 491 HG LEU 42 HG LEU 42 -0.059 3.037 -5.998 492 1HD1 LEU 42 1HD1 LEU 42 -2.369 4.872 -5.402 493 2HD1 LEU 42 3HD1 LEU 42 -1.951 4.231 -6.986 494 3HD1 LEU 42 2HD1 LEU 42 -2.466 3.136 -5.703 495 1HD2 LEU 42 2HD2 LEU 42 1.322 5.042 -5.601 496 2HD2 LEU 42 1HD2 LEU 42 0.231 5.262 -6.967 497 3HD2 LEU 42 3HD2 LEU 42 -0.145 6.006 -5.412 498 MD1 LEU 42 QD1 LEU 42 -2.262 4.080 -6.031 499 MD2 LEU 42 QD2 LEU 42 0.469 5.437 -5.994 500 QB LEU 42 QB LEU 42 -0.951 3.743 -3.594 501 QD LEU 42 QQD LEU 42 -0.896 4.758 -6.012 502 H ASN 43 H ASN 43 1.034 5.120 -1.737 503 HA ASN 43 HA ASN 43 2.814 6.867 -2.938 504 1HB ASN 43 2HB ASN 43 1.296 7.466 -1.116 505 2HB ASN 43 1HB ASN 43 2.221 6.456 -0.011 506 1HD2 ASN 43 1HD2 ASN 43 2.137 9.333 -1.810 507 2HD2 ASN 43 2HD2 ASN 43 3.444 10.156 -1.034 508 QB ASN 43 QB ASN 43 1.759 6.961 -0.564 509 QD ASN 43 QD2 ASN 43 2.791 9.745 -1.422 510 H LEU 44 H LEU 44 3.332 4.232 -0.665 511 HA LEU 44 HA LEU 44 6.016 4.621 -0.051 512 1HB LEU 44 2HB LEU 44 4.413 2.087 -0.260 513 2HB LEU 44 1HB LEU 44 6.079 2.073 0.249 514 HG LEU 44 HG LEU 44 3.862 3.549 1.687 515 1HD1 LEU 44 1HD1 LEU 44 3.605 1.094 1.786 516 2HD1 LEU 44 3HD1 LEU 44 5.262 0.969 2.371 517 3HD1 LEU 44 2HD1 LEU 44 4.039 1.783 3.346 518 1HD2 LEU 44 1HD2 LEU 44 6.722 2.973 2.450 519 2HD2 LEU 44 3HD2 LEU 44 6.072 4.553 2.017 520 3HD2 LEU 44 2HD2 LEU 44 5.524 3.736 3.483 521 MD1 LEU 44 QD1 LEU 44 4.302 1.282 2.501 522 MD2 LEU 44 QD2 LEU 44 6.106 3.754 2.650 523 QB LEU 44 QB LEU 44 5.246 2.080 -0.006 524 QD LEU 44 QQD LEU 44 5.204 2.518 2.575 525 H LEU 45 H LEU 45 4.595 2.951 -2.812 526 HA LEU 45 HA LEU 45 6.941 1.930 -3.940 527 1HB LEU 45 2HB LEU 45 4.540 3.051 -5.385 528 2HB LEU 45 1HB LEU 45 5.766 2.031 -6.101 529 HG LEU 45 HG LEU 45 3.812 1.211 -3.955 530 1HD1 LEU 45 1HD1 LEU 45 3.977 0.502 -6.881 531 2HD1 LEU 45 3HD1 LEU 45 2.846 -0.186 -5.719 532 3HD1 LEU 45 2HD1 LEU 45 2.762 1.527 -6.122 533 1HD2 LEU 45 2HD2 LEU 45 5.910 -0.392 -5.426 534 2HD2 LEU 45 1HD2 LEU 45 5.924 0.016 -3.712 535 3HD2 LEU 45 3HD2 LEU 45 4.684 -1.065 -4.349 536 MD1 LEU 45 QD1 LEU 45 3.195 0.615 -6.241 537 MD2 LEU 45 QD2 LEU 45 5.506 -0.480 -4.496 538 QB LEU 45 QB LEU 45 5.153 2.541 -5.743 539 QD LEU 45 QQD LEU 45 4.351 0.067 -5.369 540 H ILE 46 H ILE 46 5.371 5.035 -4.380 541 HA ILE 46 HA ILE 46 7.299 6.073 -6.197 542 HB ILE 46 HB ILE 46 5.330 7.596 -4.461 543 1HG1 ILE 46 2HG1 ILE 46 5.036 6.625 -7.318 544 2HG1 ILE 46 1HG1 ILE 46 4.264 5.888 -5.920 545 1HG2 ILE 46 1HG2 ILE 46 7.114 9.016 -5.365 546 2HG2 ILE 46 3HG2 ILE 46 6.775 8.416 -6.990 547 3HG2 ILE 46 2HG2 ILE 46 5.570 9.378 -6.135 548 1HD1 ILE 46 1HD1 ILE 46 3.789 8.676 -6.952 549 2HD1 ILE 46 3HD1 ILE 46 2.721 7.286 -7.156 550 3HD1 ILE 46 2HD1 ILE 46 3.006 7.947 -5.547 551 MG ILE 46 QG2 ILE 46 6.486 8.937 -6.164 552 MD ILE 46 QD1 ILE 46 3.172 7.970 -6.552 553 QG ILE 46 QG1 ILE 46 4.650 6.257 -6.619 554 H GLU 47 H GLU 47 6.796 6.371 -2.730 555 HA GLU 47 HA GLU 47 8.726 8.336 -2.269 556 1HB GLU 47 2HB GLU 47 6.979 7.937 -0.656 557 2HB GLU 47 1HB GLU 47 7.547 6.297 -0.389 558 1HG GLU 47 2HG GLU 47 9.524 7.073 0.678 559 2HG GLU 47 1HG GLU 47 9.189 8.737 0.215 560 QB GLU 47 QB GLU 47 7.263 7.117 -0.523 561 QG GLU 47 QG GLU 47 9.357 7.905 0.446 562 H LEU 48 H LEU 48 8.987 4.804 -1.898 563 HA LEU 48 HA LEU 48 11.700 5.133 -1.170 564 1HB LEU 48 2HB LEU 48 10.148 2.651 -1.838 565 2HB LEU 48 1HB LEU 48 11.872 2.610 -1.541 566 HG LEU 48 HG LEU 48 10.871 1.951 0.466 567 1HD1 LEU 48 3HD1 LEU 48 12.695 3.507 0.777 568 2HD1 LEU 48 2HD1 LEU 48 11.549 4.853 0.824 569 3HD1 LEU 48 1HD1 LEU 48 11.512 3.628 2.081 570 1HD2 LEU 48 2HD2 LEU 48 9.067 4.363 0.326 571 2HD2 LEU 48 1HD2 LEU 48 8.583 2.685 0.090 572 3HD2 LEU 48 3HD2 LEU 48 9.149 3.222 1.670 573 MD1 LEU 48 QD1 LEU 48 11.919 3.996 1.227 574 MD2 LEU 48 QD2 LEU 48 8.933 3.424 0.695 575 QB LEU 48 QB LEU 48 11.010 2.631 -1.690 576 QD LEU 48 QQD LEU 48 10.426 3.710 0.961 577 H LYS 49 H LYS 49 10.140 4.560 -4.229 578 HA LYS 49 HA LYS 49 12.552 4.023 -5.639 579 1HB LYS 49 2HB LYS 49 9.808 4.854 -6.508 580 2HB LYS 49 1HB LYS 49 11.122 4.765 -7.663 581 1HG LYS 49 2HG LYS 49 11.387 2.405 -7.247 582 2HG LYS 49 1HG LYS 49 10.196 2.471 -5.941 583 1HD LYS 49 2HD LYS 49 8.446 3.028 -7.477 584 2HD LYS 49 1HD LYS 49 9.586 3.205 -8.805 585 1HE LYS 49 2HE LYS 49 9.046 0.628 -7.325 586 2HE LYS 49 1HE LYS 49 8.300 1.081 -8.856 587 1HZ LYS 49 2HZ LYS 49 10.490 1.147 -9.861 588 2HZ LYS 49 1HZ LYS 49 11.231 0.686 -8.436 589 3HZ LYS 49 3HZ LYS 49 10.186 -0.361 -9.244 590 QB LYS 49 QB LYS 49 10.465 4.810 -7.086 591 QD LYS 49 QD LYS 49 9.016 3.117 -8.141 592 QG LYS 49 QG LYS 49 10.792 2.438 -6.594 593 QE LYS 49 QE LYS 49 8.673 0.855 -8.091 594 QZ LYS 49 QZ LYS 49 10.636 0.491 -9.181 595 H THR 50 H THR 50 10.946 6.993 -4.704 596 HA THR 50 HA THR 50 12.474 8.573 -6.512 597 HB THR 50 HB THR 50 10.159 9.203 -5.534 598 HG1 THR 50 1HG THR 50 12.184 11.202 -5.347 599 1HG2 THR 50 2HG2 THR 50 10.693 8.890 -3.154 600 2HG2 THR 50 1HG2 THR 50 11.881 10.183 -3.245 601 3HG2 THR 50 3HG2 THR 50 10.169 10.542 -3.464 602 MG THR 50 QG2 THR 50 10.914 9.872 -3.288 603 H LYS 51 H LYS 51 13.075 7.227 -3.389 604 HA LYS 51 HA LYS 51 15.265 9.005 -2.829 605 1HB LYS 51 2HB LYS 51 14.336 6.482 -1.427 606 2HB LYS 51 1HB LYS 51 15.496 7.641 -0.808 607 1HG LYS 51 2HG LYS 51 13.781 9.320 -0.601 608 2HG LYS 51 1HG LYS 51 12.600 8.260 -1.371 609 1HD LYS 51 2HD LYS 51 12.156 8.130 0.957 610 2HD LYS 51 1HD LYS 51 12.999 6.644 0.545 611 1HE LYS 51 2HE LYS 51 13.872 7.505 2.618 612 2HE LYS 51 1HE LYS 51 15.099 7.651 1.361 613 1HZ LYS 51 2HZ LYS 51 14.494 10.009 1.133 614 2HZ LYS 51 1HZ LYS 51 13.342 9.840 2.326 615 3HZ LYS 51 3HZ LYS 51 14.971 9.670 2.708 616 QB LYS 51 QB LYS 51 14.916 7.062 -1.118 617 QD LYS 51 QD LYS 51 12.578 7.387 0.751 618 QG LYS 51 QG LYS 51 13.191 8.790 -0.986 619 QE LYS 51 QE LYS 51 14.486 7.578 1.989 620 QZ LYS 51 QZ LYS 51 14.269 9.840 2.055 621 H LYS 52 H LYS 52 14.657 5.513 -3.214 622 HA LYS 52 HA LYS 52 15.863 3.718 -3.588 623 1HB LYS 52 2HB LYS 52 16.836 3.499 -5.854 624 2HB LYS 52 1HB LYS 52 15.250 4.236 -5.850 625 1HG LYS 52 2HG LYS 52 16.259 6.422 -6.211 626 2HG LYS 52 1HG LYS 52 17.866 5.700 -6.161 627 1HD LYS 52 2HD LYS 52 17.252 4.291 -8.109 628 2HD LYS 52 1HD LYS 52 15.691 5.108 -8.173 629 1HE LYS 52 2HE LYS 52 17.251 6.046 -9.804 630 2HE LYS 52 1HE LYS 52 16.819 7.240 -8.584 631 1HZ LYS 52 1HZ LYS 52 19.317 5.629 -8.586 632 2HZ LYS 52 3HZ LYS 52 19.212 7.232 -9.075 633 3HZ LYS 52 2HZ LYS 52 18.925 6.826 -7.477 634 QB LYS 52 QB LYS 52 16.043 3.868 -5.852 635 QD LYS 52 QD LYS 52 16.472 4.700 -8.141 636 QG LYS 52 QG LYS 52 17.063 6.061 -6.186 637 QE LYS 52 QE LYS 52 17.035 6.643 -9.194 638 QZ LYS 52 QZ LYS 52 19.151 6.563 -8.380 639 H LYS 53 H LYS 53 17.833 6.361 -3.156 640 HA LYS 53 HA LYS 53 20.383 5.008 -3.054 641 1HB LYS 53 2HB LYS 53 21.157 7.204 -2.289 642 2HB LYS 53 1HB LYS 53 20.274 7.289 -3.805 643 1HG LYS 53 2HG LYS 53 18.251 8.079 -2.553 644 2HG LYS 53 1HG LYS 53 19.189 8.041 -1.075 645 1HD LYS 53 2HD LYS 53 19.808 9.749 -3.500 646 2HD LYS 53 1HD LYS 53 19.122 10.319 -1.981 647 1HE LYS 53 2HE LYS 53 21.165 9.664 -0.799 648 2HE LYS 53 1HE LYS 53 21.845 9.040 -2.296 649 1HZ LYS 53 1HZ LYS 53 21.730 11.298 -3.197 650 2HZ LYS 53 3HZ LYS 53 21.212 11.877 -1.703 651 3HZ LYS 53 2HZ LYS 53 22.731 11.180 -1.848 652 QB LYS 53 QB LYS 53 20.716 7.247 -3.047 653 QD LYS 53 QD LYS 53 19.465 10.034 -2.741 654 QG LYS 53 QG LYS 53 18.720 8.060 -1.814 655 QE LYS 53 QE LYS 53 21.505 9.352 -1.548 656 QZ LYS 53 QZ LYS 53 21.891 11.452 -2.250 657 H ARG 54 H ARG 54 17.988 4.527 -1.171 658 HA ARG 54 HA ARG 54 19.493 4.781 1.313 659 1HB ARG 54 2HB ARG 54 16.610 5.359 0.783 660 2HB ARG 54 1HB ARG 54 17.121 4.822 2.374 661 1HG ARG 54 2HG ARG 54 18.284 7.213 0.970 662 2HG ARG 54 1HG ARG 54 16.935 7.288 2.107 663 1HD ARG 54 2HD ARG 54 19.684 6.204 2.730 664 2HD ARG 54 1HD ARG 54 19.075 7.790 3.201 665 HE ARG 54 HE ARG 54 17.228 6.314 4.289 666 1HH1 ARG 54 1HH1 ARG 54 20.736 5.666 4.281 667 2HH1 ARG 54 2HH1 ARG 54 20.714 4.866 5.787 668 1HH2 ARG 54 1HH2 ARG 54 17.236 5.189 6.377 669 2HH2 ARG 54 2HH2 ARG 54 18.687 4.597 7.003 670 QB ARG 54 QB ARG 54 16.866 5.091 1.578 671 QG ARG 54 QG ARG 54 17.610 7.251 1.538 672 QD ARG 54 QD ARG 54 19.380 6.997 2.965 673 QH1 ARG 54 QH1 ARG 54 20.725 5.266 5.034 674 QH2 ARG 54 QH2 ARG 54 17.962 4.893 6.690 675 H TYR 55 H TYR 55 19.531 3.023 2.615 676 HA TYR 55 HA TYR 55 19.056 0.437 1.731 677 1HB TYR 55 2HB TYR 55 18.783 1.378 4.592 678 2HB TYR 55 1HB TYR 55 19.075 -0.267 4.067 679 HD1 TYR 55 1HD TYR 55 20.510 2.861 4.978 680 HD2 TYR 55 2HD TYR 55 21.311 -0.796 2.994 681 HE1 TYR 55 1HE TYR 55 22.914 3.250 5.262 682 HE2 TYR 55 2HE TYR 55 23.727 -0.420 3.264 683 HH TYR 55 HH TYR 55 25.240 1.445 3.620 684 QB TYR 55 QB TYR 55 18.929 0.556 4.329 685 QD TYR 55 QD TYR 55 20.911 1.033 3.986 686 QE TYR 55 QE TYR 55 23.321 1.415 4.263 687 QR TYR 55 QR TYR 55 22.116 1.224 4.124 688 H SER 56 H SER 56 16.941 2.784 3.148 689 HA SER 56 HA SER 56 14.716 1.522 4.003 690 1HB SER 56 2HB SER 56 14.733 4.001 2.321 691 2HB SER 56 1HB SER 56 13.718 3.630 3.715 692 HG SER 56 HG SER 56 15.255 4.242 5.011 693 QB SER 56 QB SER 56 14.226 3.816 3.018 694 H LEU 57 H LEU 57 15.839 1.843 0.668 695 HA LEU 57 HA LEU 57 13.408 1.435 -0.702 696 1HB LEU 57 2HB LEU 57 15.496 2.238 -1.756 697 2HB LEU 57 1HB LEU 57 16.244 0.687 -1.473 698 HG LEU 57 HG LEU 57 14.591 -0.329 -3.024 699 1HD1 LEU 57 1HD1 LEU 57 13.805 2.511 -3.563 700 2HD1 LEU 57 3HD1 LEU 57 13.359 1.125 -4.554 701 3HD1 LEU 57 2HD1 LEU 57 12.793 1.227 -2.890 702 1HD2 LEU 57 2HD2 LEU 57 16.298 1.872 -4.164 703 2HD2 LEU 57 1HD2 LEU 57 16.805 0.228 -3.794 704 3HD2 LEU 57 3HD2 LEU 57 15.624 0.517 -5.067 705 MD1 LEU 57 QD1 LEU 57 13.319 1.621 -3.669 706 MD2 LEU 57 QD2 LEU 57 16.242 0.873 -4.342 707 QB LEU 57 QB LEU 57 15.870 1.463 -1.615 708 QD LEU 57 QQD LEU 57 14.781 1.247 -4.006 709 H LEU 58 H LEU 58 15.603 -0.657 0.950 710 HA LEU 58 HA LEU 58 14.077 -3.038 0.218 711 1HB LEU 58 2HB LEU 58 16.629 -2.797 1.854 712 2HB LEU 58 1HB LEU 58 15.846 -4.292 1.414 713 HG LEU 58 HG LEU 58 16.382 -3.666 -1.016 714 1HD1 LEU 58 2HD1 LEU 58 18.251 -1.729 0.338 715 2HD1 LEU 58 1HD1 LEU 58 18.280 -2.172 -1.369 716 3HD1 LEU 58 3HD1 LEU 58 16.890 -1.315 -0.702 717 1HD2 LEU 58 1HD2 LEU 58 18.624 -4.234 0.909 718 2HD2 LEU 58 3HD2 LEU 58 17.542 -5.419 0.178 719 3HD2 LEU 58 2HD2 LEU 58 18.669 -4.514 -0.832 720 MD1 LEU 58 QD1 LEU 58 17.807 -1.738 -0.578 721 MD2 LEU 58 QD2 LEU 58 18.278 -4.722 0.085 722 QB LEU 58 QB LEU 58 16.238 -3.544 1.634 723 QD LEU 58 QQD LEU 58 18.043 -3.230 -0.247 724 H GLU 59 H GLU 59 15.466 -1.418 3.070 725 HA GLU 59 HA GLU 59 13.542 -2.759 4.728 726 1HB GLU 59 2HB GLU 59 14.782 -1.644 6.645 727 2HB GLU 59 1HB GLU 59 15.653 -2.869 5.731 728 1HG GLU 59 2HG GLU 59 16.820 -1.081 4.533 729 2HG GLU 59 1HG GLU 59 15.950 0.116 5.491 730 QB GLU 59 QB GLU 59 15.218 -2.256 6.188 731 QG GLU 59 QG GLU 59 16.385 -0.482 5.012 732 H HIS 60 H HIS 60 11.998 -1.534 3.450 733 HA HIS 60 HA HIS 60 11.242 1.055 4.538 734 1HB HIS 60 2HB HIS 60 9.186 0.711 2.993 735 2HB HIS 60 1HB HIS 60 10.757 0.897 2.230 736 HD1 HIS 60 1HD HIS 60 11.316 -0.876 0.489 737 HD2 HIS 60 2HD HIS 60 8.390 -2.138 3.164 738 HE1 HIS 60 1HE HIS 60 10.569 -3.125 -0.305 739 QB HIS 60 QB HIS 60 9.972 0.804 2.611 740 H HIS 61 H HIS 61 10.555 -2.225 4.940 741 HA HIS 61 HA HIS 61 9.039 -1.798 7.369 742 1HB HIS 61 2HB HIS 61 8.194 -3.738 5.163 743 2HB HIS 61 1HB HIS 61 7.498 -3.682 6.769 744 HD1 HIS 61 1HD HIS 61 6.562 -2.896 3.518 745 HD2 HIS 61 2HD HIS 61 6.409 -0.779 7.090 746 HE1 HIS 61 1HE HIS 61 4.761 -1.157 3.233 747 QB HIS 61 QB HIS 61 7.846 -3.710 5.966 748 H HIS 62 H HIS 62 10.071 -3.116 8.807 749 HA HIS 62 HA HIS 62 11.472 -4.651 9.661 750 1HB HIS 62 2HB HIS 62 10.526 -6.519 8.467 751 2HB HIS 62 1HB HIS 62 11.171 -5.967 6.935 752 HD1 HIS 62 1HD HIS 62 11.983 -8.161 9.854 753 HD2 HIS 62 2HD HIS 62 13.941 -6.545 6.559 754 HE1 HIS 62 1HE HIS 62 14.087 -9.497 9.546 755 QB HIS 62 QB HIS 62 10.849 -6.243 7.701 756 H HIS 63 H HIS 63 13.576 -4.449 10.096 757 HA HIS 63 HA HIS 63 15.151 -2.943 8.132 758 1HB HIS 63 2HB HIS 63 16.381 -1.968 10.058 759 2HB HIS 63 1HB HIS 63 14.667 -1.568 10.076 760 HD1 HIS 63 1HD HIS 63 17.123 -3.912 11.845 761 HD2 HIS 63 2HD HIS 63 13.358 -2.229 12.347 762 HE1 HIS 63 1HE HIS 63 16.384 -4.550 14.143 763 QB HIS 63 QB HIS 63 15.524 -1.768 10.067 764 H HIS 64 H HIS 64 17.457 -3.331 8.131 765 HA HIS 64 HA HIS 64 18.109 -6.055 8.808 766 1HB HIS 64 2HB HIS 64 19.604 -3.989 7.182 767 2HB HIS 64 1HB HIS 64 19.970 -5.701 7.305 768 HD1 HIS 64 1HD HIS 64 17.948 -3.271 5.475 769 HD2 HIS 64 2HD HIS 64 18.090 -7.386 5.888 770 HE1 HIS 64 1HE HIS 64 16.565 -4.216 3.567 771 QB HIS 64 QB HIS 64 19.787 -4.845 7.243 No H/Q in entry = 771 Start of MODEL 2 1 H1 MET 1 2HT MET 1 12.967 -5.627 -1.228 2 H2 MET 1 1HT MET 1 11.561 -6.550 -1.391 3 H3 MET 1 3HT MET 1 12.871 -7.155 -0.522 4 HA MET 1 HA MET 1 14.220 -7.222 -2.458 5 1HB MET 1 2HB MET 1 12.765 -9.160 -1.799 6 2HB MET 1 1HB MET 1 11.565 -8.583 -2.944 7 1HG MET 1 2HG MET 1 12.868 -10.389 -3.902 8 2HG MET 1 1HG MET 1 13.136 -8.881 -4.774 9 1HE MET 1 2HE MET 1 14.623 -11.446 -2.178 10 2HE MET 1 1HE MET 1 16.173 -10.703 -1.787 11 3HE MET 1 3HE MET 1 14.674 -9.941 -1.262 12 QB MET 1 QB MET 1 12.165 -8.871 -2.371 13 QG MET 1 QG MET 1 13.002 -9.635 -4.338 14 ME MET 1 QE MET 1 15.157 -10.697 -1.742 15 H ASN 2 H ASN 2 10.789 -6.474 -3.482 16 HA ASN 2 HA ASN 2 11.913 -4.733 -5.475 17 1HB ASN 2 2HB ASN 2 10.516 -5.794 -7.276 18 2HB ASN 2 1HB ASN 2 11.888 -6.788 -6.743 19 1HD2 ASN 2 1HD2 ASN 2 10.936 -8.582 -7.589 20 2HD2 ASN 2 2HD2 ASN 2 9.555 -9.329 -6.915 21 QB ASN 2 QB ASN 2 11.202 -6.291 -7.009 22 QD ASN 2 QD2 ASN 2 10.245 -8.956 -7.252 23 H VAL 3 H VAL 3 10.183 -3.586 -6.686 24 HA VAL 3 HA VAL 3 8.211 -2.598 -4.878 25 HB VAL 3 HB VAL 3 7.427 -1.184 -6.718 26 1HG1 VAL 3 2HG1 VAL 3 10.433 -1.283 -6.543 27 2HG1 VAL 3 1HG1 VAL 3 9.486 0.075 -7.161 28 3HG1 VAL 3 3HG1 VAL 3 9.341 -0.407 -5.474 29 1HG2 VAL 3 1HG2 VAL 3 7.662 -2.838 -8.561 30 2HG2 VAL 3 3HG2 VAL 3 8.394 -1.281 -8.966 31 3HG2 VAL 3 2HG2 VAL 3 9.407 -2.644 -8.484 32 MG1 VAL 3 QG1 VAL 3 9.753 -0.538 -6.392 33 MG2 VAL 3 QG2 VAL 3 8.488 -2.254 -8.670 34 QG VAL 3 QQG VAL 3 9.121 -1.396 -7.531 35 H THR 4 H THR 4 8.304 -4.981 -7.352 36 HA THR 4 HA THR 4 5.702 -5.125 -8.201 37 HB THR 4 HB THR 4 7.759 -7.292 -7.878 38 HG1 THR 4 1HG THR 4 7.209 -5.400 -9.926 39 1HG2 THR 4 2HG2 THR 4 5.557 -8.111 -8.276 40 2HG2 THR 4 1HG2 THR 4 5.393 -7.017 -9.675 41 3HG2 THR 4 3HG2 THR 4 6.576 -8.347 -9.713 42 MG THR 4 QG2 THR 4 5.842 -7.825 -9.221 43 H LYS 5 H LYS 5 7.283 -7.096 -5.689 44 HA LYS 5 HA LYS 5 4.913 -8.434 -4.964 45 1HB LYS 5 2HB LYS 5 7.669 -8.221 -4.063 46 2HB LYS 5 1HB LYS 5 6.539 -9.046 -2.937 47 1HG LYS 5 2HG LYS 5 6.067 -10.536 -4.961 48 2HG LYS 5 1HG LYS 5 7.437 -9.736 -5.739 49 1HD LYS 5 2HD LYS 5 8.866 -10.443 -3.855 50 2HD LYS 5 1HD LYS 5 7.492 -11.300 -3.165 51 1HE LYS 5 2HE LYS 5 7.354 -12.660 -5.233 52 2HE LYS 5 1HE LYS 5 8.796 -11.842 -5.820 53 1HZ LYS 5 3HZ LYS 5 9.969 -12.710 -3.808 54 2HZ LYS 5 2HZ LYS 5 8.586 -13.627 -3.467 55 3HZ LYS 5 1HZ LYS 5 9.433 -13.903 -4.871 56 QB LYS 5 QB LYS 5 7.104 -8.634 -3.500 57 QD LYS 5 QD LYS 5 8.179 -10.872 -3.510 58 QG LYS 5 QG LYS 5 6.752 -10.136 -5.350 59 QE LYS 5 QE LYS 5 8.075 -12.251 -5.527 60 QZ LYS 5 QZ LYS 5 9.329 -13.413 -4.049 61 H LEU 6 H LEU 6 6.451 -5.541 -3.916 62 HA LEU 6 HA LEU 6 5.010 -5.192 -1.495 63 1HB LEU 6 2HB LEU 6 7.113 -3.985 -2.060 64 2HB LEU 6 1HB LEU 6 6.235 -3.160 -3.338 65 HG LEU 6 HG LEU 6 4.888 -1.964 -1.716 66 1HD1 LEU 6 2HD1 LEU 6 6.441 -3.498 0.364 67 2HD1 LEU 6 1HD1 LEU 6 5.339 -2.157 0.683 68 3HD1 LEU 6 3HD1 LEU 6 4.719 -3.663 0.013 69 1HD2 LEU 6 2HD2 LEU 6 7.055 -1.026 -2.361 70 2HD2 LEU 6 1HD2 LEU 6 6.642 -0.609 -0.696 71 3HD2 LEU 6 3HD2 LEU 6 7.818 -1.881 -1.022 72 MD1 LEU 6 QD1 LEU 6 5.500 -3.106 0.353 73 MD2 LEU 6 QD2 LEU 6 7.172 -1.172 -1.360 74 QB LEU 6 QB LEU 6 6.674 -3.573 -2.699 75 QD LEU 6 QQD LEU 6 6.336 -2.139 -0.503 76 H ASN 7 H ASN 7 4.622 -4.025 -4.815 77 HA ASN 7 HA ASN 7 2.256 -2.583 -4.522 78 1HB ASN 7 2HB ASN 7 3.712 -2.506 -6.541 79 2HB ASN 7 1HB ASN 7 3.198 -4.132 -6.952 80 1HD2 ASN 7 1HD2 ASN 7 1.122 -4.446 -7.865 81 2HD2 ASN 7 2HD2 ASN 7 0.163 -3.126 -8.381 82 QB ASN 7 QB ASN 7 3.455 -3.319 -6.746 83 QD ASN 7 QD2 ASN 7 0.643 -3.786 -8.123 84 H ASP 8 H ASP 8 2.884 -5.962 -5.075 85 HA ASP 8 HA ASP 8 0.293 -6.878 -5.535 86 1HB ASP 8 2HB ASP 8 2.210 -8.306 -5.914 87 2HB ASP 8 1HB ASP 8 2.615 -8.277 -4.204 88 QB ASP 8 QB ASP 8 2.412 -8.292 -5.059 89 H ARG 9 H ARG 9 1.896 -6.068 -2.488 90 HA ARG 9 HA ARG 9 -0.148 -7.103 -0.781 91 1HB ARG 9 2HB ARG 9 1.693 -4.748 -0.305 92 2HB ARG 9 1HB ARG 9 0.641 -5.442 0.908 93 1HG ARG 9 2HG ARG 9 1.935 -7.579 0.646 94 2HG ARG 9 1HG ARG 9 3.070 -6.669 -0.363 95 1HD ARG 9 2HD ARG 9 3.853 -6.741 1.953 96 2HD ARG 9 1HD ARG 9 3.435 -5.091 1.486 97 HE ARG 9 HE ARG 9 1.391 -6.671 2.835 98 1HH1 ARG 9 1HH1 ARG 9 3.779 -4.030 3.159 99 2HH1 ARG 9 2HH1 ARG 9 3.082 -3.473 4.610 100 1HH2 ARG 9 1HH2 ARG 9 0.530 -5.843 4.800 101 2HH2 ARG 9 2HH2 ARG 9 1.245 -4.480 5.538 102 QB ARG 9 QB ARG 9 1.167 -5.095 0.302 103 QG ARG 9 QG ARG 9 2.503 -7.124 0.141 104 QD ARG 9 QD ARG 9 3.644 -5.916 1.719 105 QH1 ARG 9 QH1 ARG 9 3.430 -3.752 3.884 106 QH2 ARG 9 QH2 ARG 9 0.887 -5.161 5.169 107 H ILE 10 H ILE 10 0.395 -4.018 -2.351 108 HA ILE 10 HA ILE 10 -1.803 -2.605 -1.359 109 HB ILE 10 HB ILE 10 -0.237 -2.357 -3.937 110 1HG1 ILE 10 2HG1 ILE 10 0.406 -0.144 -3.039 111 2HG1 ILE 10 1HG1 ILE 10 -0.563 -0.461 -1.610 112 1HG2 ILE 10 2HG2 ILE 10 -2.487 -1.712 -4.594 113 2HG2 ILE 10 1HG2 ILE 10 -2.575 -0.584 -3.248 114 3HG2 ILE 10 3HG2 ILE 10 -1.428 -0.308 -4.554 115 1HD1 ILE 10 3HD1 ILE 10 1.891 -1.977 -2.477 116 2HD1 ILE 10 2HD1 ILE 10 1.808 -0.777 -1.187 117 3HD1 ILE 10 1HD1 ILE 10 0.942 -2.305 -1.029 118 MG ILE 10 QG2 ILE 10 -2.163 -0.868 -4.132 119 MD ILE 10 QD1 ILE 10 1.547 -1.686 -1.564 120 QG ILE 10 QG1 ILE 10 -0.079 -0.303 -2.325 121 H GLU 11 H GLU 11 -1.494 -4.604 -4.240 122 HA GLU 11 HA GLU 11 -4.122 -4.199 -5.121 123 1HB GLU 11 2HB GLU 11 -2.243 -6.435 -5.766 124 2HB GLU 11 1HB GLU 11 -3.741 -6.092 -6.630 125 1HG GLU 11 2HG GLU 11 -2.853 -3.845 -7.155 126 2HG GLU 11 1HG GLU 11 -1.332 -4.316 -6.406 127 QB GLU 11 QB GLU 11 -2.992 -6.264 -6.198 128 QG GLU 11 QG GLU 11 -2.093 -4.081 -6.781 129 H ALA 12 H ALA 12 -2.846 -6.520 -2.864 130 HA ALA 12 HA ALA 12 -5.132 -8.198 -2.808 131 1HB ALA 12 2HB ALA 12 -3.008 -8.876 -1.816 132 2HB ALA 12 3HB ALA 12 -4.302 -8.945 -0.617 133 3HB ALA 12 1HB ALA 12 -3.153 -7.605 -0.600 134 MB ALA 12 QB ALA 12 -3.488 -8.475 -1.011 135 H LYS 13 H LYS 13 -4.317 -5.170 -1.287 136 HA LYS 13 HA LYS 13 -6.568 -5.150 0.485 137 1HB LYS 13 2HB LYS 13 -4.693 -2.948 -0.387 138 2HB LYS 13 1HB LYS 13 -5.858 -2.824 0.933 139 1HG LYS 13 2HG LYS 13 -4.637 -4.511 2.183 140 2HG LYS 13 1HG LYS 13 -3.536 -4.746 0.828 141 1HD LYS 13 2HD LYS 13 -2.464 -3.349 2.493 142 2HD LYS 13 1HD LYS 13 -2.804 -2.400 1.051 143 1HE LYS 13 2HE LYS 13 -3.319 -1.140 3.085 144 2HE LYS 13 1HE LYS 13 -4.767 -1.436 2.132 145 1HZ LYS 13 2HZ LYS 13 -3.967 -3.054 4.492 146 2HZ LYS 13 1HZ LYS 13 -5.044 -1.765 4.532 147 3HZ LYS 13 3HZ LYS 13 -5.424 -3.147 3.653 148 QB LYS 13 QB LYS 13 -5.276 -2.886 0.273 149 QD LYS 13 QD LYS 13 -2.634 -2.874 1.772 150 QG LYS 13 QG LYS 13 -4.086 -4.628 1.505 151 QE LYS 13 QE LYS 13 -4.043 -1.288 2.608 152 QZ LYS 13 QZ LYS 13 -4.812 -2.655 4.226 153 H LYS 14 H LYS 14 -5.724 -4.022 -2.675 154 HA LYS 14 HA LYS 14 -7.942 -2.380 -3.245 155 1HB LYS 14 2HB LYS 14 -6.372 -4.129 -5.153 156 2HB LYS 14 1HB LYS 14 -7.437 -2.819 -5.622 157 1HG LYS 14 2HG LYS 14 -4.940 -2.496 -3.965 158 2HG LYS 14 1HG LYS 14 -5.033 -2.231 -5.705 159 1HD LYS 14 2HD LYS 14 -6.724 -0.785 -3.697 160 2HD LYS 14 1HD LYS 14 -5.163 -0.191 -4.255 161 1HE LYS 14 2HE LYS 14 -5.921 -0.136 -6.528 162 2HE LYS 14 1HE LYS 14 -7.482 -0.831 -6.097 163 1HZ LYS 14 2HZ LYS 14 -6.468 1.827 -5.216 164 2HZ LYS 14 1HZ LYS 14 -7.593 1.536 -6.438 165 3HZ LYS 14 3HZ LYS 14 -7.984 1.158 -4.857 166 QB LYS 14 QB LYS 14 -6.905 -3.474 -5.388 167 QD LYS 14 QD LYS 14 -5.943 -0.488 -3.976 168 QG LYS 14 QG LYS 14 -4.987 -2.364 -4.835 169 QE LYS 14 QE LYS 14 -6.702 -0.483 -6.313 170 QZ LYS 14 QZ LYS 14 -7.348 1.507 -5.503 171 H LYS 15 H LYS 15 -7.442 -5.851 -3.498 172 HA LYS 15 HA LYS 15 -9.892 -6.479 -4.777 173 1HB LYS 15 2HB LYS 15 -8.290 -8.224 -2.880 174 2HB LYS 15 1HB LYS 15 -9.507 -8.784 -4.012 175 1HG LYS 15 2HG LYS 15 -6.877 -7.510 -4.754 176 2HG LYS 15 1HG LYS 15 -7.233 -9.234 -4.792 177 1HD LYS 15 2HD LYS 15 -8.887 -8.897 -6.518 178 2HD LYS 15 1HD LYS 15 -8.692 -7.147 -6.416 179 1HE LYS 15 2HE LYS 15 -7.497 -8.099 -8.349 180 2HE LYS 15 1HE LYS 15 -6.401 -7.321 -7.213 181 1HZ LYS 15 1HZ LYS 15 -6.891 -10.248 -7.361 182 2HZ LYS 15 3HZ LYS 15 -5.601 -9.454 -8.081 183 3HZ LYS 15 2HZ LYS 15 -5.707 -9.465 -6.421 184 QB LYS 15 QB LYS 15 -8.898 -8.504 -3.446 185 QD LYS 15 QD LYS 15 -8.789 -8.022 -6.467 186 QG LYS 15 QG LYS 15 -7.055 -8.372 -4.773 187 QE LYS 15 QE LYS 15 -6.949 -7.710 -7.781 188 QZ LYS 15 QZ LYS 15 -6.067 -9.723 -7.288 189 H GLU 16 H GLU 16 -8.988 -5.865 -1.494 190 HA GLU 16 HA GLU 16 -11.374 -6.922 -0.286 191 1HB GLU 16 2HB GLU 16 -9.095 -6.603 0.838 192 2HB GLU 16 1HB GLU 16 -9.465 -4.887 0.877 193 1HG GLU 16 2HG GLU 16 -9.976 -5.839 3.011 194 2HG GLU 16 1HG GLU 16 -11.487 -5.402 2.211 195 QB GLU 16 QB GLU 16 -9.280 -5.745 0.858 196 QG GLU 16 QG GLU 16 -10.731 -5.620 2.611 197 H LEU 17 H LEU 17 -10.053 -3.806 -1.170 198 HA LEU 17 HA LEU 17 -12.121 -2.142 -0.458 199 1HB LEU 17 2HB LEU 17 -9.964 -2.040 -2.439 200 2HB LEU 17 1HB LEU 17 -11.253 -0.884 -2.633 201 HG LEU 17 HG LEU 17 -9.470 -1.194 -0.205 202 1HD1 LEU 17 3HD1 LEU 17 -8.350 -0.231 -2.157 203 2HD1 LEU 17 2HD1 LEU 17 -9.646 0.956 -2.311 204 3HD1 LEU 17 1HD1 LEU 17 -8.596 0.980 -0.896 205 1HD2 LEU 17 3HD2 LEU 17 -11.683 0.775 -0.806 206 2HD2 LEU 17 2HD2 LEU 17 -11.697 -0.453 0.455 207 3HD2 LEU 17 1HD2 LEU 17 -10.564 0.890 0.554 208 MD1 LEU 17 QD1 LEU 17 -8.864 0.568 -1.788 209 MD2 LEU 17 QD2 LEU 17 -11.314 0.404 0.067 210 QB LEU 17 QB LEU 17 -10.608 -1.462 -2.536 211 QD LEU 17 QQD LEU 17 -10.089 0.486 -0.860 212 H ILE 18 H ILE 18 -11.669 -3.894 -3.485 213 HA ILE 18 HA ILE 18 -13.906 -2.934 -4.825 214 HB ILE 18 HB ILE 18 -12.653 -5.700 -4.978 215 1HG1 ILE 18 2HG1 ILE 18 -12.339 -3.272 -6.754 216 2HG1 ILE 18 1HG1 ILE 18 -11.179 -3.792 -5.538 217 1HG2 ILE 18 1HG2 ILE 18 -14.942 -5.775 -5.855 218 2HG2 ILE 18 3HG2 ILE 18 -14.593 -4.394 -6.897 219 3HG2 ILE 18 2HG2 ILE 18 -13.767 -5.929 -7.163 220 1HD1 ILE 18 3HD1 ILE 18 -10.816 -5.863 -6.801 221 2HD1 ILE 18 2HD1 ILE 18 -11.974 -5.306 -8.010 222 3HD1 ILE 18 1HD1 ILE 18 -10.468 -4.425 -7.764 223 MG ILE 18 QG2 ILE 18 -14.434 -5.366 -6.639 224 MD ILE 18 QD1 ILE 18 -11.086 -5.198 -7.525 225 QG ILE 18 QG1 ILE 18 -11.759 -3.532 -6.146 226 H TYR 19 H TYR 19 -13.652 -5.670 -2.608 227 HA TYR 19 HA TYR 19 -16.357 -6.428 -2.641 228 1HB TYR 19 2HB TYR 19 -14.688 -7.916 -1.679 229 2HB TYR 19 1HB TYR 19 -14.259 -6.724 -0.462 230 HD1 TYR 19 1HD TYR 19 -16.829 -9.155 -1.524 231 HD2 TYR 19 2HD TYR 19 -15.607 -6.462 1.536 232 HE1 TYR 19 1HE TYR 19 -18.502 -10.127 0.000 233 HE2 TYR 19 2HE TYR 19 -17.273 -7.427 3.063 234 HH TYR 19 HH TYR 19 -18.727 -10.306 2.556 235 QB TYR 19 QB TYR 19 -14.474 -7.320 -1.070 236 QD TYR 19 QD TYR 19 -16.218 -7.808 0.006 237 QE TYR 19 QE TYR 19 -17.887 -8.777 1.532 238 QR TYR 19 QR TYR 19 -17.053 -8.293 0.769 239 H LEU 20 H LEU 20 -14.580 -4.174 -0.598 240 HA LEU 20 HA LEU 20 -16.709 -3.479 1.091 241 1HB LEU 20 2HB LEU 20 -14.303 -1.811 0.360 242 2HB LEU 20 1HB LEU 20 -15.390 -1.508 1.701 243 HG LEU 20 HG LEU 20 -13.536 -3.880 1.426 244 1HD1 LEU 20 1HD1 LEU 20 -13.467 -1.531 3.257 245 2HD1 LEU 20 3HD1 LEU 20 -12.391 -2.924 3.307 246 3HD1 LEU 20 2HD1 LEU 20 -12.368 -1.848 1.908 247 1HD2 LEU 20 2HD2 LEU 20 -15.413 -3.126 3.656 248 2HD2 LEU 20 1HD2 LEU 20 -15.583 -4.517 2.589 249 3HD2 LEU 20 3HD2 LEU 20 -14.222 -4.424 3.705 250 MD1 LEU 20 QD1 LEU 20 -12.742 -2.101 2.824 251 MD2 LEU 20 QD2 LEU 20 -15.073 -4.022 3.317 252 QB LEU 20 QB LEU 20 -14.846 -1.659 1.030 253 QD LEU 20 QQD LEU 20 -13.907 -3.062 3.070 254 H VAL 21 H VAL 21 -15.565 -1.940 -1.889 255 HA VAL 21 HA VAL 21 -17.440 0.140 -1.939 256 HB VAL 21 HB VAL 21 -16.133 -1.274 -4.301 257 1HG1 VAL 21 2HG1 VAL 21 -17.595 1.371 -4.236 258 2HG1 VAL 21 1HG1 VAL 21 -16.694 0.734 -5.615 259 3HG1 VAL 21 3HG1 VAL 21 -18.141 -0.096 -5.041 260 1HG2 VAL 21 3HG2 VAL 21 -15.433 1.300 -2.885 261 2HG2 VAL 21 2HG2 VAL 21 -14.533 -0.217 -2.798 262 3HG2 VAL 21 1HG2 VAL 21 -14.624 0.669 -4.321 263 MG1 VAL 21 QG1 VAL 21 -17.477 0.670 -4.964 264 MG2 VAL 21 QG2 VAL 21 -14.863 0.584 -3.335 265 QG VAL 21 QQG VAL 21 -16.170 0.627 -4.149 266 H GLU 22 H GLU 22 -17.681 -3.163 -3.161 267 HA GLU 22 HA GLU 22 -20.284 -2.837 -4.220 268 1HB GLU 22 2HB GLU 22 -18.768 -5.292 -3.375 269 2HB GLU 22 1HB GLU 22 -20.364 -5.357 -4.102 270 1HG GLU 22 2HG GLU 22 -19.500 -4.241 -6.098 271 2HG GLU 22 1HG GLU 22 -17.903 -4.176 -5.352 272 QB GLU 22 QB GLU 22 -19.566 -5.325 -3.738 273 QG GLU 22 QG GLU 22 -18.701 -4.209 -5.725 274 H LYS 23 H LYS 23 -19.146 -3.950 -1.012 275 HA LYS 23 HA LYS 23 -21.692 -4.779 -0.194 276 1HB LYS 23 2HB LYS 23 -19.417 -5.696 0.350 277 2HB LYS 23 1HB LYS 23 -19.218 -4.311 1.406 278 1HG LYS 23 2HG LYS 23 -19.838 -6.132 2.653 279 2HG LYS 23 1HG LYS 23 -21.213 -4.996 2.595 280 1HD LYS 23 2HD LYS 23 -22.265 -6.386 0.837 281 2HD LYS 23 1HD LYS 23 -20.900 -7.497 0.903 282 1HE LYS 23 2HE LYS 23 -22.855 -6.952 3.130 283 2HE LYS 23 1HE LYS 23 -22.842 -8.371 2.089 284 1HZ LYS 23 3HZ LYS 23 -20.531 -8.818 2.996 285 2HZ LYS 23 2HZ LYS 23 -20.825 -7.578 4.097 286 3HZ LYS 23 1HZ LYS 23 -21.804 -8.929 4.110 287 QB LYS 23 QB LYS 23 -19.318 -5.003 0.878 288 QD LYS 23 QD LYS 23 -21.583 -6.941 0.870 289 QG LYS 23 QG LYS 23 -20.526 -5.564 2.624 290 QE LYS 23 QE LYS 23 -22.848 -7.662 2.609 291 QZ LYS 23 QZ LYS 23 -21.053 -8.442 3.734 292 H TYR 24 H TYR 24 -19.592 -1.991 0.583 293 HA TYR 24 HA TYR 24 -21.725 -0.934 2.306 294 1HB TYR 24 2HB TYR 24 -18.796 -0.203 2.219 295 2HB TYR 24 1HB TYR 24 -19.982 0.465 3.328 296 HD1 TYR 24 1HD TYR 24 -17.841 -2.350 2.570 297 HD2 TYR 24 2HD TYR 24 -20.914 -0.944 5.142 298 HE1 TYR 24 1HE TYR 24 -17.343 -4.162 4.130 299 HE2 TYR 24 2HE TYR 24 -20.423 -2.770 6.728 300 HH TYR 24 HH TYR 24 -17.608 -4.724 6.393 301 QB TYR 24 QB TYR 24 -19.389 0.131 2.774 302 QD TYR 24 QD TYR 24 -19.377 -1.647 3.856 303 QE TYR 24 QE TYR 24 -18.883 -3.466 5.429 304 QR TYR 24 QR TYR 24 -19.130 -2.556 4.643 305 H GLY 25 H GLY 25 -19.625 -0.202 -0.377 306 1HA GLY 25 1HA GLY 25 -21.176 2.264 -0.828 307 2HA GLY 25 2HA GLY 25 -20.615 1.179 -2.106 308 QA GLY 25 QA GLY 25 -20.896 1.721 -1.467 309 H PHE 26 H PHE 26 -19.609 3.150 -2.978 310 HA PHE 26 HA PHE 26 -16.881 3.287 -2.102 311 1HB PHE 26 2HB PHE 26 -16.466 4.877 -3.924 312 2HB PHE 26 1HB PHE 26 -17.358 3.494 -4.524 313 HD1 PHE 26 1HD PHE 26 -17.414 7.086 -3.850 314 HD2 PHE 26 2HD PHE 26 -19.653 3.782 -5.295 315 HE1 PHE 26 1HE PHE 26 -19.051 8.633 -4.836 316 HE2 PHE 26 2HE PHE 26 -21.299 5.323 -6.275 317 HZ PHE 26 HZ PHE 26 -20.995 7.747 -6.049 318 QB PHE 26 QB PHE 26 -16.912 4.186 -4.224 319 QD PHE 26 QD PHE 26 -18.533 5.434 -4.572 320 QE PHE 26 QE PHE 26 -20.175 6.978 -5.556 321 QR PHE 26 QR PHE 26 -19.682 6.514 -5.261 322 H THR 27 H THR 27 -19.665 5.341 -1.792 323 HA THR 27 HA THR 27 -18.056 7.199 -0.299 324 HB THR 27 HB THR 27 -19.468 8.327 -1.911 325 HG1 THR 27 1HG THR 27 -19.466 9.708 -0.359 326 1HG2 THR 27 1HG2 THR 27 -21.223 6.644 -2.220 327 2HG2 THR 27 3HG2 THR 27 -21.863 6.999 -0.613 328 3HG2 THR 27 2HG2 THR 27 -21.938 8.220 -1.881 329 MG THR 27 QG2 THR 27 -21.675 7.287 -1.572 330 H HIS 28 H HIS 28 -17.688 5.577 1.142 331 HA HIS 28 HA HIS 28 -19.576 5.596 3.363 332 1HB HIS 28 2HB HIS 28 -19.769 3.407 2.147 333 2HB HIS 28 1HB HIS 28 -18.048 3.157 2.369 334 HD1 HIS 28 1HD HIS 28 -21.322 2.863 4.130 335 HD2 HIS 28 2HD HIS 28 -17.279 2.484 5.001 336 HE1 HIS 28 1HE HIS 28 -21.190 1.662 6.332 337 QB HIS 28 QB HIS 28 -18.909 3.282 2.258 338 H HIS 29 H HIS 29 -18.513 6.066 5.226 339 HA HIS 29 HA HIS 29 -16.127 7.413 5.025 340 1HB HIS 29 2HB HIS 29 -17.838 7.734 6.808 341 2HB HIS 29 1HB HIS 29 -17.235 6.269 7.577 342 HD1 HIS 29 1HD HIS 29 -15.845 6.990 9.559 343 HD2 HIS 29 2HD HIS 29 -15.303 9.411 6.240 344 HE1 HIS 29 1HE HIS 29 -14.055 8.641 10.184 345 QB HIS 29 QB HIS 29 -17.537 7.002 7.193 346 H LYS 30 H LYS 30 -16.565 4.114 6.253 347 HA LYS 30 HA LYS 30 -13.833 3.857 6.921 348 1HB LYS 30 2HB LYS 30 -15.930 1.736 6.496 349 2HB LYS 30 1HB LYS 30 -14.275 1.370 6.959 350 1HG LYS 30 2HG LYS 30 -16.222 3.043 8.537 351 2HG LYS 30 1HG LYS 30 -15.726 1.389 8.905 352 1HD LYS 30 2HD LYS 30 -13.365 2.218 9.091 353 2HD LYS 30 1HD LYS 30 -13.977 3.857 8.903 354 1HE LYS 30 2HE LYS 30 -13.618 3.397 11.231 355 2HE LYS 30 1HE LYS 30 -15.344 3.559 10.922 356 1HZ LYS 30 1HZ LYS 30 -13.905 0.982 11.127 357 2HZ LYS 30 3HZ LYS 30 -14.760 1.667 12.392 358 3HZ LYS 30 2HZ LYS 30 -15.577 1.167 11.005 359 QB LYS 30 QB LYS 30 -15.103 1.553 6.728 360 QD LYS 30 QD LYS 30 -13.671 3.037 8.997 361 QG LYS 30 QG LYS 30 -15.974 2.216 8.721 362 QE LYS 30 QE LYS 30 -14.481 3.478 11.077 363 QZ LYS 30 QZ LYS 30 -14.747 1.272 11.508 364 H VAL 31 H VAL 31 -15.532 3.261 3.965 365 HA VAL 31 HA VAL 31 -13.391 1.907 2.676 366 HB VAL 31 HB VAL 31 -15.673 3.513 1.447 367 1HG1 VAL 31 3HG1 VAL 31 -13.832 3.183 -0.140 368 2HG1 VAL 31 2HG1 VAL 31 -13.867 1.447 0.179 369 3HG1 VAL 31 1HG1 VAL 31 -15.243 2.225 -0.598 370 1HG2 VAL 31 3HG2 VAL 31 -16.458 1.673 2.849 371 2HG2 VAL 31 2HG2 VAL 31 -16.765 1.334 1.142 372 3HG2 VAL 31 1HG2 VAL 31 -15.419 0.556 1.970 373 MG1 VAL 31 QG1 VAL 31 -14.314 2.285 -0.186 374 MG2 VAL 31 QG2 VAL 31 -16.214 1.188 1.987 375 QG VAL 31 QQG VAL 31 -15.264 1.736 0.900 376 H ILE 32 H ILE 32 -14.401 5.254 2.954 377 HA ILE 32 HA ILE 32 -12.435 6.425 1.329 378 HB ILE 32 HB ILE 32 -13.738 7.625 3.802 379 1HG1 ILE 32 2HG1 ILE 32 -14.579 7.871 0.904 380 2HG1 ILE 32 1HG1 ILE 32 -15.352 6.801 2.068 381 1HG2 ILE 32 1HG2 ILE 32 -11.758 8.875 3.067 382 2HG2 ILE 32 3HG2 ILE 32 -12.413 8.964 1.431 383 3HG2 ILE 32 2HG2 ILE 32 -13.230 9.798 2.750 384 1HD1 ILE 32 3HD1 ILE 32 -15.994 8.748 3.407 385 2HD1 ILE 32 2HD1 ILE 32 -15.231 9.804 2.228 386 3HD1 ILE 32 1HD1 ILE 32 -16.634 8.834 1.768 387 MG ILE 32 QG2 ILE 32 -12.467 9.212 2.416 388 MD ILE 32 QD1 ILE 32 -15.953 9.129 2.468 389 QG ILE 32 QG1 ILE 32 -14.965 7.336 1.486 390 H SER 33 H SER 33 -12.414 5.629 4.819 391 HA SER 33 HA SER 33 -9.830 6.656 5.229 392 1HB SER 33 2HB SER 33 -9.819 5.330 7.359 393 2HB SER 33 1HB SER 33 -11.247 6.339 7.160 394 HG SER 33 HG SER 33 -11.666 3.839 6.137 395 QB SER 33 QB SER 33 -10.533 5.835 7.260 396 H PHE 34 H PHE 34 -10.890 3.487 4.094 397 HA PHE 34 HA PHE 34 -8.293 2.354 4.235 398 1HB PHE 34 2HB PHE 34 -10.728 1.555 2.652 399 2HB PHE 34 1HB PHE 34 -9.191 0.720 2.479 400 HD1 PHE 34 1HD PHE 34 -12.266 0.541 3.988 401 HD2 PHE 34 2HD PHE 34 -8.141 0.097 4.909 402 HE1 PHE 34 1HE PHE 34 -12.849 -0.921 5.855 403 HE2 PHE 34 2HE PHE 34 -8.714 -1.362 6.797 404 HZ PHE 34 HZ PHE 34 -11.074 -1.877 7.282 405 QB PHE 34 QB PHE 34 -9.959 1.138 2.566 406 QD PHE 34 QD PHE 34 -10.203 0.319 4.449 407 QE PHE 34 QE PHE 34 -10.781 -1.142 6.326 408 QR PHE 34 QR PHE 34 -10.609 -0.705 5.766 409 H SER 35 H SER 35 -9.985 4.245 1.846 410 HA SER 35 HA SER 35 -8.199 3.916 -0.281 411 1HB SER 35 2HB SER 35 -10.444 5.045 -0.426 412 2HB SER 35 1HB SER 35 -9.771 6.420 0.438 413 HG SER 35 HG SER 35 -8.510 6.911 -1.273 414 QB SER 35 QB SER 35 -10.107 5.733 0.006 415 H GLN 36 H GLN 36 -8.190 6.122 2.474 416 HA GLN 36 HA GLN 36 -5.865 7.589 1.779 417 1HB GLN 36 2HB GLN 36 -7.019 7.042 4.515 418 2HB GLN 36 1HB GLN 36 -5.863 8.303 4.118 419 1HG GLN 36 2HG GLN 36 -7.525 9.390 2.705 420 2HG GLN 36 1HG GLN 36 -8.676 8.103 3.068 421 1HE2 GLN 36 1HE2 GLN 36 -10.141 9.472 4.003 422 2HE2 GLN 36 2HE2 GLN 36 -9.890 10.200 5.543 423 QB GLN 36 QB GLN 36 -6.441 7.673 4.316 424 QG GLN 36 QG GLN 36 -8.101 8.747 2.887 425 QE GLN 36 QE2 GLN 36 -10.015 9.836 4.773 426 H GLU 37 H GLU 37 -6.424 4.603 3.485 427 HA GLU 37 HA GLU 37 -3.768 4.291 4.438 428 1HB GLU 37 2HB GLU 37 -5.703 3.137 5.438 429 2HB GLU 37 1HB GLU 37 -5.909 2.214 3.961 430 1HG GLU 37 2HG GLU 37 -3.803 1.125 4.291 431 2HG GLU 37 1HG GLU 37 -3.461 2.125 5.701 432 QB GLU 37 QB GLU 37 -5.806 2.675 4.699 433 QG GLU 37 QG GLU 37 -3.632 1.625 4.996 434 H LEU 38 H LEU 38 -5.535 3.028 1.642 435 HA LEU 38 HA LEU 38 -3.434 1.595 0.469 436 1HB LEU 38 2HB LEU 38 -5.973 2.757 -0.538 437 2HB LEU 38 1HB LEU 38 -4.761 2.362 -1.730 438 HG LEU 38 HG LEU 38 -6.388 0.573 -1.497 439 1HD1 LEU 38 1HD1 LEU 38 -4.075 0.101 -2.102 440 2HD1 LEU 38 3HD1 LEU 38 -3.717 -0.290 -0.413 441 3HD1 LEU 38 2HD1 LEU 38 -4.892 -1.244 -1.328 442 1HD2 LEU 38 2HD2 LEU 38 -5.414 0.372 1.353 443 2HD2 LEU 38 1HD2 LEU 38 -7.021 0.865 0.839 444 3HD2 LEU 38 3HD2 LEU 38 -6.479 -0.789 0.552 445 MD1 LEU 38 QD1 LEU 38 -4.228 -0.478 -1.281 446 MD2 LEU 38 QD2 LEU 38 -6.305 0.149 0.915 447 QB LEU 38 QB LEU 38 -5.367 2.560 -1.134 448 QD LEU 38 QQD LEU 38 -5.266 -0.164 -0.183 449 H ASP 39 H ASP 39 -4.234 4.940 0.389 450 HA ASP 39 HA ASP 39 -2.517 5.915 -1.588 451 1HB ASP 39 2HB ASP 39 -4.179 7.307 -0.433 452 2HB ASP 39 1HB ASP 39 -3.293 7.133 1.071 453 QB ASP 39 QB ASP 39 -3.736 7.220 0.319 454 H ARG 40 H ARG 40 -1.975 5.335 1.848 455 HA ARG 40 HA ARG 40 0.739 6.175 1.795 456 1HB ARG 40 2HB ARG 40 -0.661 4.512 3.891 457 2HB ARG 40 1HB ARG 40 0.896 5.302 4.076 458 1HG ARG 40 2HG ARG 40 -1.804 6.605 3.796 459 2HG ARG 40 1HG ARG 40 -0.734 6.632 5.196 460 1HD ARG 40 2HD ARG 40 0.943 7.829 3.726 461 2HD ARG 40 1HD ARG 40 -0.343 7.986 2.530 462 HE ARG 40 HE ARG 40 -0.559 9.043 5.255 463 1HH1 ARG 40 1HH1 ARG 40 -1.159 9.529 1.744 464 2HH1 ARG 40 2HH1 ARG 40 -1.569 11.150 1.963 465 1HH2 ARG 40 1HH2 ARG 40 -1.131 11.265 5.442 466 2HH2 ARG 40 2HH2 ARG 40 -1.567 12.162 4.055 467 QB ARG 40 QB ARG 40 0.118 4.907 3.984 468 QG ARG 40 QG ARG 40 -1.269 6.618 4.496 469 QD ARG 40 QD ARG 40 0.300 7.907 3.128 470 QH1 ARG 40 QH1 ARG 40 -1.364 10.340 1.854 471 QH2 ARG 40 QH2 ARG 40 -1.349 11.714 4.749 472 H LEU 41 H LEU 41 -0.814 3.009 1.734 473 HA LEU 41 HA LEU 41 1.536 1.466 1.697 474 1HB LEU 41 2HB LEU 41 -1.260 0.939 0.760 475 2HB LEU 41 1HB LEU 41 0.008 -0.158 0.278 476 HG LEU 41 HG LEU 41 -1.230 -1.031 2.170 477 1HD1 LEU 41 2HD1 LEU 41 1.089 -1.626 1.958 478 2HD1 LEU 41 1HD1 LEU 41 1.556 -0.249 2.956 479 3HD1 LEU 41 3HD1 LEU 41 0.594 -1.557 3.650 480 1HD2 LEU 41 2HD2 LEU 41 -0.292 1.410 3.669 481 2HD2 LEU 41 1HD2 LEU 41 -1.952 1.032 3.222 482 3HD2 LEU 41 3HD2 LEU 41 -1.103 0.015 4.387 483 MD1 LEU 41 QD1 LEU 41 1.080 -1.144 2.855 484 MD2 LEU 41 QD2 LEU 41 -1.115 0.819 3.759 485 QB LEU 41 QB LEU 41 -0.626 0.391 0.519 486 QD LEU 41 QQD LEU 41 -0.018 -0.163 3.307 487 H LEU 42 H LEU 42 -0.329 2.863 -0.972 488 HA LEU 42 HA LEU 42 1.260 1.848 -3.069 489 1HB LEU 42 2HB LEU 42 -0.969 2.768 -3.447 490 2HB LEU 42 1HB LEU 42 -0.425 4.350 -2.931 491 HG LEU 42 HG LEU 42 1.129 4.380 -4.887 492 1HD1 LEU 42 2HD1 LEU 42 -0.391 1.924 -5.718 493 2HD1 LEU 42 1HD1 LEU 42 0.703 2.856 -6.744 494 3HD1 LEU 42 3HD1 LEU 42 1.324 2.030 -5.317 495 1HD2 LEU 42 1HD2 LEU 42 -1.816 4.124 -5.480 496 2HD2 LEU 42 3HD2 LEU 42 -0.964 5.573 -4.939 497 3HD2 LEU 42 2HD2 LEU 42 -0.618 4.895 -6.530 498 MD1 LEU 42 QD1 LEU 42 0.545 2.270 -5.926 499 MD2 LEU 42 QD2 LEU 42 -1.133 4.864 -5.650 500 QB LEU 42 QB LEU 42 -0.697 3.559 -3.189 501 QD LEU 42 QQD LEU 42 -0.294 3.567 -5.788 502 H ASN 43 H ASN 43 1.540 4.611 -0.988 503 HA ASN 43 HA ASN 43 3.471 5.921 -2.572 504 1HB ASN 43 2HB ASN 43 2.063 7.041 -0.796 505 2HB ASN 43 1HB ASN 43 3.133 6.308 0.398 506 1HD2 ASN 43 1HD2 ASN 43 3.980 7.624 -2.765 507 2HD2 ASN 43 2HD2 ASN 43 5.032 8.849 -2.146 508 QB ASN 43 QB ASN 43 2.598 6.674 -0.199 509 QD ASN 43 QD2 ASN 43 4.506 8.236 -2.455 510 H LEU 44 H LEU 44 3.661 3.298 -0.324 511 HA LEU 44 HA LEU 44 6.291 3.509 0.576 512 1HB LEU 44 2HB LEU 44 4.698 1.041 -0.077 513 2HB LEU 44 1HB LEU 44 6.255 1.010 0.723 514 HG LEU 44 HG LEU 44 3.774 2.322 1.847 515 1HD1 LEU 44 3HD1 LEU 44 5.099 -0.305 2.501 516 2HD1 LEU 44 2HD1 LEU 44 3.747 0.408 3.373 517 3HD1 LEU 44 1HD1 LEU 44 3.544 -0.102 1.697 518 1HD2 LEU 44 2HD2 LEU 44 5.876 3.319 2.638 519 2HD2 LEU 44 1HD2 LEU 44 5.077 2.405 3.916 520 3HD2 LEU 44 3HD2 LEU 44 6.463 1.715 3.077 521 MD1 LEU 44 QD1 LEU 44 4.130 0.000 2.524 522 MD2 LEU 44 QD2 LEU 44 5.805 2.479 3.210 523 QB LEU 44 QB LEU 44 5.477 1.026 0.323 524 QD LEU 44 QQD LEU 44 4.968 1.240 2.867 525 H LEU 45 H LEU 45 5.082 1.973 -2.379 526 HA LEU 45 HA LEU 45 7.735 1.314 -3.150 527 1HB LEU 45 2HB LEU 45 6.803 0.738 -5.429 528 2HB LEU 45 1HB LEU 45 6.207 -0.200 -4.088 529 HG LEU 45 HG LEU 45 4.575 2.105 -5.134 530 1HD1 LEU 45 3HD1 LEU 45 4.720 -0.700 -6.258 531 2HD1 LEU 45 2HD1 LEU 45 3.503 0.502 -6.687 532 3HD1 LEU 45 1HD1 LEU 45 5.198 0.771 -7.100 533 1HD2 LEU 45 2HD2 LEU 45 3.907 -0.576 -3.912 534 2HD2 LEU 45 1HD2 LEU 45 3.857 0.969 -3.068 535 3HD2 LEU 45 3HD2 LEU 45 2.740 0.648 -4.395 536 MD1 LEU 45 QD1 LEU 45 4.474 0.191 -6.682 537 MD2 LEU 45 QD2 LEU 45 3.501 0.347 -3.792 538 QB LEU 45 QB LEU 45 6.505 0.269 -4.758 539 QD LEU 45 QQD LEU 45 3.988 0.269 -5.237 540 H ILE 46 H ILE 46 5.668 4.005 -3.795 541 HA ILE 46 HA ILE 46 7.228 5.167 -5.861 542 HB ILE 46 HB ILE 46 5.484 6.554 -3.789 543 1HG1 ILE 46 2HG1 ILE 46 4.804 5.674 -6.605 544 2HG1 ILE 46 1HG1 ILE 46 4.287 4.844 -5.140 545 1HG2 ILE 46 2HG2 ILE 46 7.011 8.119 -4.874 546 2HG2 ILE 46 1HG2 ILE 46 6.482 7.559 -6.463 547 3HG2 ILE 46 3HG2 ILE 46 5.353 8.405 -5.402 548 1HD1 ILE 46 2HD1 ILE 46 3.012 6.825 -4.487 549 2HD1 ILE 46 1HD1 ILE 46 3.525 7.642 -5.964 550 3HD1 ILE 46 3HD1 ILE 46 2.501 6.207 -6.056 551 MG ILE 46 QG2 ILE 46 6.282 8.028 -5.580 552 MD ILE 46 QD1 ILE 46 3.013 6.891 -5.502 553 QG ILE 46 QG1 ILE 46 4.546 5.259 -5.872 554 H GLU 47 H GLU 47 7.161 5.638 -2.375 555 HA GLU 47 HA GLU 47 9.170 7.550 -2.070 556 1HB GLU 47 2HB GLU 47 7.494 6.903 -0.376 557 2HB GLU 47 1HB GLU 47 8.289 5.351 -0.193 558 1HG GLU 47 2HG GLU 47 8.926 6.717 1.631 559 2HG GLU 47 1HG GLU 47 10.318 6.570 0.561 560 QB GLU 47 QB GLU 47 7.892 6.127 -0.284 561 QG GLU 47 QG GLU 47 9.622 6.644 1.096 562 H LEU 48 H LEU 48 9.300 3.991 -1.830 563 HA LEU 48 HA LEU 48 12.056 3.957 -1.290 564 1HB LEU 48 2HB LEU 48 10.533 2.133 -0.614 565 2HB LEU 48 1HB LEU 48 10.298 1.701 -2.287 566 HG LEU 48 HG LEU 48 11.849 0.217 -0.882 567 1HD1 LEU 48 3HD1 LEU 48 11.781 0.018 -3.305 568 2HD1 LEU 48 2HD1 LEU 48 12.947 1.330 -3.454 569 3HD1 LEU 48 1HD1 LEU 48 13.424 -0.190 -2.697 570 1HD2 LEU 48 2HD2 LEU 48 13.693 2.570 -1.277 571 2HD2 LEU 48 1HD2 LEU 48 13.097 1.949 0.259 572 3HD2 LEU 48 3HD2 LEU 48 14.203 0.983 -0.722 573 MD1 LEU 48 QD1 LEU 48 12.717 0.386 -3.152 574 MD2 LEU 48 QD2 LEU 48 13.664 1.834 -0.580 575 QB LEU 48 QB LEU 48 10.416 1.917 -1.450 576 QD LEU 48 QQD LEU 48 13.191 1.110 -1.866 577 H LYS 49 H LYS 49 10.250 3.716 -4.302 578 HA LYS 49 HA LYS 49 12.399 2.935 -5.938 579 1HB LYS 49 2HB LYS 49 10.009 2.799 -6.564 580 2HB LYS 49 1HB LYS 49 9.941 4.546 -6.630 581 1HG LYS 49 2HG LYS 49 11.497 4.544 -8.508 582 2HG LYS 49 1HG LYS 49 11.585 2.779 -8.430 583 1HD LYS 49 2HD LYS 49 9.206 2.613 -8.888 584 2HD LYS 49 1HD LYS 49 9.060 4.370 -8.889 585 1HE LYS 49 2HE LYS 49 10.563 4.481 -10.813 586 2HE LYS 49 1HE LYS 49 10.688 2.720 -10.814 587 1HZ LYS 49 1HZ LYS 49 8.192 4.278 -11.241 588 2HZ LYS 49 3HZ LYS 49 9.081 3.493 -12.442 589 3HZ LYS 49 2HZ LYS 49 8.311 2.599 -11.249 590 QB LYS 49 QB LYS 49 9.975 3.672 -6.597 591 QD LYS 49 QD LYS 49 9.133 3.492 -8.889 592 QG LYS 49 QG LYS 49 11.541 3.661 -8.469 593 QE LYS 49 QE LYS 49 10.626 3.601 -10.813 594 QZ LYS 49 QZ LYS 49 8.528 3.457 -11.644 595 H THR 50 H THR 50 11.385 6.011 -4.693 596 HA THR 50 HA THR 50 12.968 7.595 -6.451 597 HB THR 50 HB THR 50 11.729 8.356 -3.789 598 HG1 THR 50 1HG THR 50 10.084 7.671 -5.072 599 1HG2 THR 50 2HG2 THR 50 12.530 10.047 -6.179 600 2HG2 THR 50 1HG2 THR 50 11.741 10.639 -4.719 601 3HG2 THR 50 3HG2 THR 50 13.381 9.997 -4.633 602 MG THR 50 QG2 THR 50 12.551 10.228 -5.177 603 H LYS 51 H LYS 51 13.435 6.236 -3.192 604 HA LYS 51 HA LYS 51 15.958 7.545 -2.865 605 1HB LYS 51 2HB LYS 51 14.586 5.368 -1.284 606 2HB LYS 51 1HB LYS 51 16.173 5.983 -0.879 607 1HG LYS 51 2HG LYS 51 15.176 8.229 -0.555 608 2HG LYS 51 1HG LYS 51 13.585 7.522 -0.871 609 1HD LYS 51 2HD LYS 51 13.792 6.065 1.036 610 2HD LYS 51 1HD LYS 51 15.454 6.578 1.299 611 1HE LYS 51 2HE LYS 51 13.973 7.657 2.896 612 2HE LYS 51 1HE LYS 51 14.675 8.844 1.807 613 1HZ LYS 51 1HZ LYS 51 11.943 7.701 1.586 614 2HZ LYS 51 3HZ LYS 51 12.305 9.220 2.194 615 3HZ LYS 51 2HZ LYS 51 12.569 8.905 0.577 616 QB LYS 51 QB LYS 51 15.379 5.675 -1.082 617 QD LYS 51 QD LYS 51 14.623 6.321 1.168 618 QG LYS 51 QG LYS 51 14.381 7.875 -0.713 619 QE LYS 51 QE LYS 51 14.324 8.250 2.352 620 QZ LYS 51 QZ LYS 51 12.272 8.609 1.452 621 H LYS 52 H LYS 52 14.836 4.235 -3.394 622 HA LYS 52 HA LYS 52 15.764 2.283 -3.905 623 1HB LYS 52 2HB LYS 52 16.828 2.137 -6.087 624 2HB LYS 52 1HB LYS 52 15.492 3.269 -6.131 625 1HG LYS 52 2HG LYS 52 17.043 5.131 -6.089 626 2HG LYS 52 1HG LYS 52 18.399 4.013 -5.941 627 1HD LYS 52 2HD LYS 52 17.808 3.031 -8.093 628 2HD LYS 52 1HD LYS 52 16.480 4.181 -8.260 629 1HE LYS 52 2HE LYS 52 18.086 6.043 -8.150 630 2HE LYS 52 1HE LYS 52 19.405 4.887 -8.019 631 1HZ LYS 52 2HZ LYS 52 18.837 4.058 -10.224 632 2HZ LYS 52 1HZ LYS 52 17.572 5.164 -10.333 633 3HZ LYS 52 3HZ LYS 52 19.163 5.707 -10.263 634 QB LYS 52 QB LYS 52 16.160 2.703 -6.109 635 QD LYS 52 QD LYS 52 17.144 3.606 -8.176 636 QG LYS 52 QG LYS 52 17.721 4.572 -6.015 637 QE LYS 52 QE LYS 52 18.746 5.465 -8.085 638 QZ LYS 52 QZ LYS 52 18.524 4.976 -10.273 639 H LYS 53 H LYS 53 17.457 3.986 -2.124 640 HA LYS 53 HA LYS 53 20.020 2.614 -2.518 641 1HB LYS 53 2HB LYS 53 20.985 4.453 -1.194 642 2HB LYS 53 1HB LYS 53 20.182 5.029 -2.648 643 1HG LYS 53 2HG LYS 53 18.219 5.656 -1.307 644 2HG LYS 53 1HG LYS 53 19.053 5.124 0.154 645 1HD LYS 53 2HD LYS 53 20.859 6.780 -0.368 646 2HD LYS 53 1HD LYS 53 19.859 7.367 -1.697 647 1HE LYS 53 2HE LYS 53 18.043 7.793 -0.033 648 2HE LYS 53 1HE LYS 53 19.195 7.366 1.224 649 1HZ LYS 53 1HZ LYS 53 20.612 9.208 0.485 650 2HZ LYS 53 3HZ LYS 53 19.455 9.655 -0.662 651 3HZ LYS 53 2HZ LYS 53 19.102 9.725 0.979 652 QB LYS 53 QB LYS 53 20.583 4.741 -1.921 653 QD LYS 53 QD LYS 53 20.359 7.073 -1.032 654 QG LYS 53 QG LYS 53 18.636 5.390 -0.576 655 QE LYS 53 QE LYS 53 18.619 7.579 0.595 656 QZ LYS 53 QZ LYS 53 19.723 9.529 0.268 657 H ARG 54 H ARG 54 17.361 2.015 -0.946 658 HA ARG 54 HA ARG 54 18.645 1.651 1.657 659 1HB ARG 54 2HB ARG 54 15.702 1.320 1.072 660 2HB ARG 54 1HB ARG 54 16.469 1.275 2.644 661 1HG ARG 54 2HG ARG 54 17.206 3.688 2.063 662 2HG ARG 54 1HG ARG 54 15.899 3.606 0.880 663 1HD ARG 54 2HD ARG 54 15.710 3.282 3.870 664 2HD ARG 54 1HD ARG 54 14.998 4.550 2.876 665 HE ARG 54 HE ARG 54 13.939 2.097 2.046 666 1HH1 ARG 54 1HH1 ARG 54 13.872 4.196 4.913 667 2HH1 ARG 54 2HH1 ARG 54 12.375 3.614 5.459 668 1HH2 ARG 54 1HH2 ARG 54 11.820 1.309 2.834 669 2HH2 ARG 54 2HH2 ARG 54 11.197 1.976 4.250 670 QB ARG 54 QB ARG 54 16.085 1.297 1.858 671 QG ARG 54 QG ARG 54 16.553 3.647 1.471 672 QD ARG 54 QD ARG 54 15.354 3.916 3.373 673 QH1 ARG 54 QH1 ARG 54 13.124 3.905 5.186 674 QH2 ARG 54 QH2 ARG 54 11.509 1.643 3.542 675 H TYR 55 H TYR 55 18.235 -0.317 2.779 676 HA TYR 55 HA TYR 55 18.892 -2.603 1.342 677 1HB TYR 55 2HB TYR 55 18.709 -3.790 3.453 678 2HB TYR 55 1HB TYR 55 19.497 -2.240 3.684 679 HD1 TYR 55 1HD TYR 55 17.058 -4.419 4.931 680 HD2 TYR 55 2HD TYR 55 17.837 -0.267 4.467 681 HE1 TYR 55 1HE TYR 55 15.447 -3.914 6.719 682 HE2 TYR 55 2HE TYR 55 16.234 0.241 6.237 683 HH TYR 55 HH TYR 55 14.940 -2.184 8.276 684 QB TYR 55 QB TYR 55 19.103 -3.015 3.568 685 QD TYR 55 QD TYR 55 17.448 -2.343 4.699 686 QE TYR 55 QE TYR 55 15.840 -1.837 6.478 687 QR TYR 55 QR TYR 55 16.644 -2.090 5.589 688 H SER 56 H SER 56 15.891 -1.194 1.452 689 HA SER 56 HA SER 56 14.091 -3.320 1.702 690 1HB SER 56 2HB SER 56 13.805 -0.841 0.030 691 2HB SER 56 1HB SER 56 12.514 -1.793 0.770 692 HG SER 56 HG SER 56 13.420 -1.313 2.788 693 QB SER 56 QB SER 56 13.160 -1.317 0.400 694 H LEU 57 H LEU 57 16.316 -2.594 -0.791 695 HA LEU 57 HA LEU 57 14.872 -3.945 -2.889 696 1HB LEU 57 2HB LEU 57 17.780 -3.121 -2.706 697 2HB LEU 57 1HB LEU 57 17.044 -3.827 -4.126 698 HG LEU 57 HG LEU 57 16.342 -1.144 -2.922 699 1HD1 LEU 57 3HD1 LEU 57 17.800 -1.873 -5.451 700 2HD1 LEU 57 2HD1 LEU 57 17.342 -0.241 -4.978 701 3HD1 LEU 57 1HD1 LEU 57 18.511 -1.142 -4.013 702 1HD2 LEU 57 2HD2 LEU 57 15.320 -2.498 -5.422 703 2HD2 LEU 57 1HD2 LEU 57 14.383 -2.169 -3.965 704 3HD2 LEU 57 3HD2 LEU 57 14.985 -0.832 -4.951 705 MD1 LEU 57 QD1 LEU 57 17.884 -1.085 -4.814 706 MD2 LEU 57 QD2 LEU 57 14.896 -1.833 -4.779 707 QB LEU 57 QB LEU 57 17.412 -3.474 -3.416 708 QD LEU 57 QQD LEU 57 16.390 -1.459 -4.796 709 H LEU 58 H LEU 58 16.636 -4.813 -0.199 710 HA LEU 58 HA LEU 58 17.018 -7.534 -1.194 711 1HB LEU 58 2HB LEU 58 18.159 -6.260 1.325 712 2HB LEU 58 1HB LEU 58 18.432 -7.900 0.811 713 HG LEU 58 HG LEU 58 19.709 -6.962 -1.161 714 1HD1 LEU 58 2HD1 LEU 58 19.481 -4.401 0.412 715 2HD1 LEU 58 1HD1 LEU 58 20.537 -4.663 -0.981 716 3HD1 LEU 58 3HD1 LEU 58 18.782 -4.704 -1.178 717 1HD2 LEU 58 3HD2 LEU 58 20.817 -7.858 0.804 718 2HD2 LEU 58 2HD2 LEU 58 21.701 -6.467 0.167 719 3HD2 LEU 58 1HD2 LEU 58 20.690 -6.289 1.602 720 MD1 LEU 58 QD1 LEU 58 19.600 -4.589 -0.582 721 MD2 LEU 58 QD2 LEU 58 21.069 -6.871 0.858 722 QB LEU 58 QB LEU 58 18.295 -7.080 1.068 723 QD LEU 58 QQD LEU 58 20.335 -5.730 0.138 724 H GLU 59 H GLU 59 16.544 -6.135 1.974 725 HA GLU 59 HA GLU 59 15.596 -7.079 3.771 726 1HB GLU 59 2HB GLU 59 13.382 -6.006 2.108 727 2HB GLU 59 1HB GLU 59 13.040 -6.705 3.691 728 1HG GLU 59 2HG GLU 59 14.692 -5.135 4.661 729 2HG GLU 59 1HG GLU 59 14.876 -4.389 3.089 730 QB GLU 59 QB GLU 59 13.211 -6.356 2.899 731 QG GLU 59 QG GLU 59 14.784 -4.762 3.875 732 H HIS 60 H HIS 60 13.113 -8.309 1.794 733 HA HIS 60 HA HIS 60 13.766 -11.018 2.673 734 1HB HIS 60 2HB HIS 60 12.213 -9.844 4.340 735 2HB HIS 60 1HB HIS 60 11.013 -9.823 3.060 736 HD1 HIS 60 1HD HIS 60 9.391 -11.665 3.348 737 HD2 HIS 60 2HD HIS 60 13.178 -12.675 4.674 738 HE1 HIS 60 1HE HIS 60 9.204 -14.001 4.282 739 QB HIS 60 QB HIS 60 11.613 -9.834 3.700 740 H HIS 61 H HIS 61 12.748 -12.595 1.265 741 HA HIS 61 HA HIS 61 12.435 -11.588 -1.375 742 1HB HIS 61 2HB HIS 61 12.053 -14.390 -0.293 743 2HB HIS 61 1HB HIS 61 11.870 -13.979 -1.992 744 HD1 HIS 61 1HD HIS 61 13.966 -14.229 -3.361 745 HD2 HIS 61 2HD HIS 61 14.746 -13.731 0.685 746 HE1 HIS 61 1HE HIS 61 16.446 -14.488 -3.102 747 QB HIS 61 QB HIS 61 11.962 -14.184 -1.142 748 H HIS 62 H HIS 62 10.169 -12.928 0.959 749 HA HIS 62 HA HIS 62 7.968 -12.128 -0.777 750 1HB HIS 62 2HB HIS 62 7.785 -14.323 0.338 751 2HB HIS 62 1HB HIS 62 7.953 -13.547 1.907 752 HD1 HIS 62 1HD HIS 62 5.778 -12.903 3.033 753 HD2 HIS 62 2HD HIS 62 5.358 -13.502 -1.054 754 HE1 HIS 62 1HE HIS 62 3.323 -12.685 2.540 755 QB HIS 62 QB HIS 62 7.869 -13.935 1.122 756 H HIS 63 H HIS 63 6.970 -10.253 -0.521 757 HA HIS 63 HA HIS 63 7.716 -8.550 1.675 758 1HB HIS 63 2HB HIS 63 6.050 -8.081 -0.783 759 2HB HIS 63 1HB HIS 63 6.065 -6.915 0.534 760 HD1 HIS 63 1HD HIS 63 7.846 -5.163 0.364 761 HD2 HIS 63 2HD HIS 63 8.779 -8.571 -1.826 762 HE1 HIS 63 1HE HIS 63 9.925 -4.616 -0.903 763 QB HIS 63 QB HIS 63 6.058 -7.498 -0.124 764 H HIS 64 H HIS 64 6.877 -9.147 3.494 765 HA HIS 64 HA HIS 64 3.971 -9.260 3.738 766 1HB HIS 64 2HB HIS 64 4.821 -11.507 4.091 767 2HB HIS 64 1HB HIS 64 6.083 -10.906 5.155 768 HD1 HIS 64 1HD HIS 64 2.264 -11.207 5.125 769 HD2 HIS 64 2HD HIS 64 5.458 -10.976 7.761 770 HE1 HIS 64 1HE HIS 64 1.310 -11.573 7.431 771 QB HIS 64 QB HIS 64 5.452 -11.206 4.623 No H/Q in entry = 771 Start of MODEL 3 1 H1 MET 1 2HT MET 1 13.073 -7.832 2.394 2 H2 MET 1 1HT MET 1 12.094 -8.108 3.763 3 H3 MET 1 3HT MET 1 11.994 -9.103 2.400 4 HA MET 1 HA MET 1 10.141 -7.613 2.437 5 1HB MET 1 2HB MET 1 11.217 -5.782 3.668 6 2HB MET 1 1HB MET 1 12.302 -5.489 2.317 7 1HG MET 1 2HG MET 1 10.319 -4.935 0.924 8 2HG MET 1 1HG MET 1 9.319 -5.091 2.365 9 1HE MET 1 3HE MET 1 9.604 -3.516 4.527 10 2HE MET 1 2HE MET 1 11.338 -3.834 4.586 11 3HE MET 1 1HE MET 1 10.748 -2.175 4.604 12 QB MET 1 QB MET 1 11.760 -5.635 2.993 13 QG MET 1 QG MET 1 9.819 -5.013 1.645 14 ME MET 1 QE MET 1 10.563 -3.175 4.572 15 H ASN 2 H ASN 2 9.332 -7.936 0.452 16 HA ASN 2 HA ASN 2 11.150 -7.540 -1.835 17 1HB ASN 2 2HB ASN 2 8.617 -9.227 -1.694 18 2HB ASN 2 1HB ASN 2 9.554 -8.962 -3.147 19 1HD2 ASN 2 1HD2 ASN 2 10.072 -11.084 -3.519 20 2HD2 ASN 2 2HD2 ASN 2 11.086 -11.993 -2.496 21 QB ASN 2 QB ASN 2 9.085 -9.095 -2.421 22 QD ASN 2 QD2 ASN 2 10.579 -11.539 -3.007 23 H VAL 3 H VAL 3 10.623 -5.980 -3.296 24 HA VAL 3 HA VAL 3 8.520 -4.216 -2.566 25 HB VAL 3 HB VAL 3 9.101 -2.874 -4.576 26 1HG1 VAL 3 1HG1 VAL 3 11.454 -3.735 -2.910 27 2HG1 VAL 3 3HG1 VAL 3 11.379 -2.268 -3.883 28 3HG1 VAL 3 2HG1 VAL 3 10.286 -2.473 -2.512 29 1HG2 VAL 3 1HG2 VAL 3 9.748 -4.729 -6.075 30 2HG2 VAL 3 3HG2 VAL 3 10.990 -3.480 -5.987 31 3HG2 VAL 3 2HG2 VAL 3 11.200 -4.987 -5.101 32 MG1 VAL 3 QG1 VAL 3 11.040 -2.825 -3.102 33 MG2 VAL 3 QG2 VAL 3 10.646 -4.399 -5.721 34 QG VAL 3 QQG VAL 3 10.843 -3.612 -4.411 35 H THR 4 H THR 4 8.852 -6.755 -4.915 36 HA THR 4 HA THR 4 6.503 -6.214 -6.342 37 HB THR 4 HB THR 4 8.206 -7.812 -7.173 38 HG1 THR 4 1HG THR 4 6.135 -8.027 -7.995 39 1HG2 THR 4 3HG2 THR 4 8.761 -8.903 -5.041 40 2HG2 THR 4 2HG2 THR 4 7.179 -9.674 -5.038 41 3HG2 THR 4 1HG2 THR 4 8.358 -10.089 -6.285 42 MG THR 4 QG2 THR 4 8.099 -9.555 -5.455 43 H LYS 5 H LYS 5 7.108 -7.867 -3.319 44 HA LYS 5 HA LYS 5 4.402 -8.675 -3.119 45 1HB LYS 5 2HB LYS 5 6.688 -9.013 -1.224 46 2HB LYS 5 1HB LYS 5 5.041 -9.376 -0.737 47 1HG LYS 5 2HG LYS 5 4.879 -10.856 -2.753 48 2HG LYS 5 1HG LYS 5 6.621 -10.659 -2.940 49 1HD LYS 5 2HD LYS 5 7.026 -11.679 -0.823 50 2HD LYS 5 1HD LYS 5 5.306 -11.655 -0.420 51 1HE LYS 5 2HE LYS 5 6.621 -13.268 -2.609 52 2HE LYS 5 1HE LYS 5 5.952 -13.887 -1.099 53 1HZ LYS 5 2HZ LYS 5 3.749 -13.003 -1.864 54 2HZ LYS 5 1HZ LYS 5 4.429 -12.659 -3.346 55 3HZ LYS 5 3HZ LYS 5 4.342 -14.253 -2.810 56 QB LYS 5 QB LYS 5 5.864 -9.195 -0.981 57 QD LYS 5 QD LYS 5 6.166 -11.667 -0.621 58 QG LYS 5 QG LYS 5 5.750 -10.757 -2.846 59 QE LYS 5 QE LYS 5 6.286 -13.578 -1.854 60 QZ LYS 5 QZ LYS 5 4.173 -13.305 -2.673 61 H LEU 6 H LEU 6 6.186 -5.960 -2.083 62 HA LEU 6 HA LEU 6 4.291 -4.995 -0.214 63 1HB LEU 6 2HB LEU 6 6.623 -4.090 -0.519 64 2HB LEU 6 1HB LEU 6 6.086 -3.410 -2.044 65 HG LEU 6 HG LEU 6 4.515 -1.946 -0.860 66 1HD1 LEU 6 2HD1 LEU 6 5.710 -3.137 1.641 67 2HD1 LEU 6 1HD1 LEU 6 4.637 -1.736 1.579 68 3HD1 LEU 6 3HD1 LEU 6 4.049 -3.321 1.084 69 1HD2 LEU 6 1HD2 LEU 6 6.763 -1.146 -1.360 70 2HD2 LEU 6 3HD2 LEU 6 6.178 -0.472 0.160 71 3HD2 LEU 6 2HD2 LEU 6 7.345 -1.794 0.175 72 MD1 LEU 6 QD1 LEU 6 4.799 -2.731 1.435 73 MD2 LEU 6 QD2 LEU 6 6.762 -1.137 -0.342 74 QB LEU 6 QB LEU 6 6.355 -3.750 -1.282 75 QD LEU 6 QQD LEU 6 5.780 -1.934 0.547 76 H ASN 7 H ASN 7 4.769 -4.497 -3.698 77 HA ASN 7 HA ASN 7 2.478 -2.933 -4.099 78 1HB ASN 7 2HB ASN 7 4.484 -3.244 -5.692 79 2HB ASN 7 1HB ASN 7 3.726 -4.743 -6.190 80 1HD2 ASN 7 1HD2 ASN 7 0.968 -3.432 -6.000 81 2HD2 ASN 7 2HD2 ASN 7 0.875 -2.446 -7.402 82 QB ASN 7 QB ASN 7 4.105 -3.994 -5.941 83 QD ASN 7 QD2 ASN 7 0.922 -2.939 -6.701 84 H ASP 8 H ASP 8 3.076 -6.366 -4.044 85 HA ASP 8 HA ASP 8 0.678 -7.425 -5.008 86 1HB ASP 8 2HB ASP 8 2.671 -8.771 -4.463 87 2HB ASP 8 1HB ASP 8 2.404 -8.446 -2.755 88 QB ASP 8 QB ASP 8 2.537 -8.609 -3.609 89 H ARG 9 H ARG 9 1.507 -6.202 -1.815 90 HA ARG 9 HA ARG 9 -0.915 -6.899 -0.504 91 1HB ARG 9 2HB ARG 9 0.964 -4.610 0.093 92 2HB ARG 9 1HB ARG 9 -0.315 -5.169 1.156 93 1HG ARG 9 2HG ARG 9 0.801 -7.329 1.348 94 2HG ARG 9 1HG ARG 9 2.081 -6.744 0.281 95 1HD ARG 9 2HD ARG 9 2.570 -4.955 1.889 96 2HD ARG 9 1HD ARG 9 1.328 -5.605 2.960 97 HE ARG 9 HE ARG 9 3.218 -7.576 2.241 98 1HH1 ARG 9 1HH1 ARG 9 2.700 -4.841 4.436 99 2HH1 ARG 9 2HH1 ARG 9 3.830 -5.359 5.574 100 1HH2 ARG 9 1HH2 ARG 9 4.777 -8.294 3.823 101 2HH2 ARG 9 2HH2 ARG 9 5.037 -7.379 5.226 102 QB ARG 9 QB ARG 9 0.325 -4.889 0.624 103 QG ARG 9 QG ARG 9 1.441 -7.037 0.814 104 QD ARG 9 QD ARG 9 1.949 -5.280 2.424 105 QH1 ARG 9 QH1 ARG 9 3.265 -5.100 5.005 106 QH2 ARG 9 QH2 ARG 9 4.907 -7.836 4.524 107 H ILE 10 H ILE 10 0.143 -4.115 -2.319 108 HA ILE 10 HA ILE 10 -2.077 -2.437 -1.985 109 HB ILE 10 HB ILE 10 -0.341 -2.775 -4.456 110 1HG1 ILE 10 2HG1 ILE 10 -0.106 -0.826 -2.183 111 2HG1 ILE 10 1HG1 ILE 10 0.948 -2.224 -2.414 112 1HG2 ILE 10 3HG2 ILE 10 -2.438 -1.625 -4.884 113 2HG2 ILE 10 2HG2 ILE 10 -2.060 -0.449 -3.624 114 3HG2 ILE 10 1HG2 ILE 10 -1.056 -0.534 -5.074 115 1HD1 ILE 10 1HD1 ILE 10 1.705 -1.209 -4.552 116 2HD1 ILE 10 3HD1 ILE 10 0.703 0.197 -4.195 117 3HD1 ILE 10 2HD1 ILE 10 2.058 -0.218 -3.143 118 MG ILE 10 QG2 ILE 10 -1.851 -0.870 -4.528 119 MD ILE 10 QD1 ILE 10 1.489 -0.410 -3.963 120 QG ILE 10 QG1 ILE 10 0.421 -1.525 -2.298 121 H GLU 11 H GLU 11 -1.344 -4.917 -4.376 122 HA GLU 11 HA GLU 11 -3.647 -4.760 -5.939 123 1HB GLU 11 2HB GLU 11 -1.938 -7.172 -5.341 124 2HB GLU 11 1HB GLU 11 -3.086 -7.043 -6.664 125 1HG GLU 11 2HG GLU 11 -0.598 -5.390 -6.287 126 2HG GLU 11 1HG GLU 11 -0.833 -6.685 -7.459 127 QB GLU 11 QB GLU 11 -2.512 -7.107 -6.002 128 QG GLU 11 QG GLU 11 -0.715 -6.038 -6.873 129 H ALA 12 H ALA 12 -2.963 -6.778 -3.137 130 HA ALA 12 HA ALA 12 -5.474 -8.071 -3.078 131 1HB ALA 12 3HB ALA 12 -3.489 -8.967 -1.947 132 2HB ALA 12 1HB ALA 12 -4.846 -8.796 -0.834 133 3HB ALA 12 2HB ALA 12 -3.531 -7.620 -0.810 134 MB ALA 12 QB ALA 12 -3.956 -8.461 -1.197 135 H LYS 13 H LYS 13 -4.355 -5.017 -1.849 136 HA LYS 13 HA LYS 13 -6.586 -4.663 -0.082 137 1HB LYS 13 2HB LYS 13 -4.403 -3.624 0.424 138 2HB LYS 13 1HB LYS 13 -4.517 -2.662 -1.035 139 1HG LYS 13 2HG LYS 13 -5.019 -1.410 1.057 140 2HG LYS 13 1HG LYS 13 -6.332 -1.379 -0.117 141 1HD LYS 13 2HD LYS 13 -7.570 -3.018 1.118 142 2HD LYS 13 1HD LYS 13 -6.202 -3.309 2.195 143 1HE LYS 13 2HE LYS 13 -7.493 -0.614 1.954 144 2HE LYS 13 1HE LYS 13 -8.118 -1.832 3.063 145 1HZ LYS 13 3HZ LYS 13 -5.319 -0.788 3.104 146 2HZ LYS 13 2HZ LYS 13 -6.537 -0.338 4.214 147 3HZ LYS 13 1HZ LYS 13 -5.995 -1.911 4.130 148 QB LYS 13 QB LYS 13 -4.460 -3.143 -0.306 149 QD LYS 13 QD LYS 13 -6.886 -3.163 1.656 150 QG LYS 13 QG LYS 13 -5.676 -1.394 0.470 151 QE LYS 13 QE LYS 13 -7.806 -1.223 2.508 152 QZ LYS 13 QZ LYS 13 -5.951 -1.013 3.816 153 H LYS 14 H LYS 14 -5.709 -3.710 -3.316 154 HA LYS 14 HA LYS 14 -7.858 -2.039 -3.953 155 1HB LYS 14 2HB LYS 14 -6.313 -4.016 -5.626 156 2HB LYS 14 1HB LYS 14 -7.521 -2.940 -6.298 157 1HG LYS 14 2HG LYS 14 -6.211 -1.017 -5.737 158 2HG LYS 14 1HG LYS 14 -5.086 -2.019 -4.808 159 1HD LYS 14 2HD LYS 14 -4.345 -3.135 -6.737 160 2HD LYS 14 1HD LYS 14 -5.591 -2.392 -7.747 161 1HE LYS 14 2HE LYS 14 -4.552 -0.231 -7.482 162 2HE LYS 14 1HE LYS 14 -3.371 -0.872 -6.354 163 1HZ LYS 14 3HZ LYS 14 -3.661 -1.642 -9.190 164 2HZ LYS 14 2HZ LYS 14 -2.466 -0.626 -8.577 165 3HZ LYS 14 1HZ LYS 14 -2.503 -2.270 -8.128 166 QB LYS 14 QB LYS 14 -6.917 -3.478 -5.962 167 QD LYS 14 QD LYS 14 -4.968 -2.763 -7.242 168 QG LYS 14 QG LYS 14 -5.648 -1.518 -5.272 169 QE LYS 14 QE LYS 14 -3.962 -0.552 -6.918 170 QZ LYS 14 QZ LYS 14 -2.877 -1.513 -8.632 171 H LYS 15 H LYS 15 -7.510 -5.543 -4.247 172 HA LYS 15 HA LYS 15 -10.125 -6.051 -5.208 173 1HB LYS 15 2HB LYS 15 -8.275 -7.903 -3.710 174 2HB LYS 15 1HB LYS 15 -9.688 -8.394 -4.633 175 1HG LYS 15 2HG LYS 15 -7.226 -7.069 -5.749 176 2HG LYS 15 1HG LYS 15 -7.641 -8.779 -5.858 177 1HD LYS 15 2HD LYS 15 -9.642 -8.215 -7.170 178 2HD LYS 15 1HD LYS 15 -9.263 -6.499 -6.992 179 1HE LYS 15 2HE LYS 15 -7.211 -6.796 -8.214 180 2HE LYS 15 1HE LYS 15 -7.526 -8.515 -8.400 181 1HZ LYS 15 1HZ LYS 15 -9.547 -7.933 -9.652 182 2HZ LYS 15 3HZ LYS 15 -9.172 -6.301 -9.544 183 3HZ LYS 15 2HZ LYS 15 -8.169 -7.341 -10.402 184 QB LYS 15 QB LYS 15 -8.981 -8.149 -4.171 185 QD LYS 15 QD LYS 15 -9.452 -7.357 -7.081 186 QG LYS 15 QG LYS 15 -7.434 -7.924 -5.803 187 QE LYS 15 QE LYS 15 -7.368 -7.655 -8.307 188 QZ LYS 15 QZ LYS 15 -8.963 -7.192 -9.866 189 H GLU 16 H GLU 16 -8.842 -5.699 -2.038 190 HA GLU 16 HA GLU 16 -11.065 -6.824 -0.624 191 1HB GLU 16 2HB GLU 16 -8.730 -6.527 0.334 192 2HB GLU 16 1HB GLU 16 -9.041 -4.800 0.387 193 1HG GLU 16 2HG GLU 16 -10.850 -5.154 1.971 194 2HG GLU 16 1HG GLU 16 -10.610 -6.896 1.878 195 QB GLU 16 QB GLU 16 -8.886 -5.664 0.361 196 QG GLU 16 QG GLU 16 -10.730 -6.025 1.925 197 H LEU 17 H LEU 17 -9.965 -3.635 -1.514 198 HA LEU 17 HA LEU 17 -12.087 -2.145 -0.534 199 1HB LEU 17 2HB LEU 17 -9.918 -1.775 -2.440 200 2HB LEU 17 1HB LEU 17 -11.266 -0.687 -2.645 201 HG LEU 17 HG LEU 17 -9.692 -1.057 -0.078 202 1HD1 LEU 17 3HD1 LEU 17 -8.342 -0.029 -1.850 203 2HD1 LEU 17 2HD1 LEU 17 -9.607 1.174 -2.107 204 3HD1 LEU 17 1HD1 LEU 17 -8.738 1.122 -0.575 205 1HD2 LEU 17 1HD2 LEU 17 -11.802 0.951 -0.869 206 2HD2 LEU 17 3HD2 LEU 17 -12.005 -0.334 0.315 207 3HD2 LEU 17 2HD2 LEU 17 -10.879 0.984 0.628 208 MD1 LEU 17 QD1 LEU 17 -8.896 0.756 -1.511 209 MD2 LEU 17 QD2 LEU 17 -11.562 0.534 0.024 210 QB LEU 17 QB LEU 17 -10.592 -1.231 -2.543 211 QD LEU 17 QQD LEU 17 -10.229 0.645 -0.743 212 H ILE 18 H ILE 18 -11.655 -3.675 -3.683 213 HA ILE 18 HA ILE 18 -13.950 -2.703 -4.934 214 HB ILE 18 HB ILE 18 -12.614 -5.413 -5.249 215 1HG1 ILE 18 2HG1 ILE 18 -12.408 -2.889 -6.898 216 2HG1 ILE 18 1HG1 ILE 18 -11.202 -3.462 -5.753 217 1HG2 ILE 18 1HG2 ILE 18 -14.926 -5.497 -6.083 218 2HG2 ILE 18 3HG2 ILE 18 -14.599 -4.094 -7.103 219 3HG2 ILE 18 2HG2 ILE 18 -13.754 -5.610 -7.396 220 1HD1 ILE 18 3HD1 ILE 18 -10.918 -5.484 -7.143 221 2HD1 ILE 18 2HD1 ILE 18 -12.061 -4.806 -8.294 222 3HD1 ILE 18 1HD1 ILE 18 -10.523 -3.992 -8.004 223 MG ILE 18 QG2 ILE 18 -14.426 -5.067 -6.861 224 MD ILE 18 QD1 ILE 18 -11.167 -4.761 -7.813 225 QG ILE 18 QG1 ILE 18 -11.805 -3.175 -6.325 226 H TYR 19 H TYR 19 -13.543 -5.505 -2.836 227 HA TYR 19 HA TYR 19 -16.216 -6.379 -2.889 228 1HB TYR 19 2HB TYR 19 -14.475 -7.856 -2.111 229 2HB TYR 19 1HB TYR 19 -14.039 -6.744 -0.821 230 HD1 TYR 19 1HD TYR 19 -16.888 -8.797 -2.060 231 HD2 TYR 19 2HD TYR 19 -14.969 -7.038 1.301 232 HE1 TYR 19 1HE TYR 19 -18.463 -9.940 -0.570 233 HE2 TYR 19 2HE TYR 19 -16.542 -8.180 2.804 234 HH TYR 19 HH TYR 19 -18.551 -10.679 1.750 235 QB TYR 19 QB TYR 19 -14.257 -7.300 -1.466 236 QD TYR 19 QD TYR 19 -15.929 -7.918 -0.380 237 QE TYR 19 QE TYR 19 -17.502 -9.060 1.117 238 QR TYR 19 QR TYR 19 -16.716 -8.489 0.369 239 H LEU 20 H LEU 20 -14.504 -4.124 -0.818 240 HA LEU 20 HA LEU 20 -16.624 -3.641 0.977 241 1HB LEU 20 2HB LEU 20 -14.316 -1.856 0.226 242 2HB LEU 20 1HB LEU 20 -15.352 -1.645 1.629 243 HG LEU 20 HG LEU 20 -13.541 -4.019 1.162 244 1HD1 LEU 20 2HD1 LEU 20 -12.273 -2.026 1.586 245 2HD1 LEU 20 1HD1 LEU 20 -13.241 -1.710 3.025 246 3HD1 LEU 20 3HD1 LEU 20 -12.209 -3.134 2.954 247 1HD2 LEU 20 2HD2 LEU 20 -15.517 -4.601 2.464 248 2HD2 LEU 20 1HD2 LEU 20 -14.070 -4.604 3.465 249 3HD2 LEU 20 3HD2 LEU 20 -15.196 -3.251 3.556 250 MD1 LEU 20 QD1 LEU 20 -12.574 -2.290 2.521 251 MD2 LEU 20 QD2 LEU 20 -14.928 -4.152 3.161 252 QB LEU 20 QB LEU 20 -14.834 -1.750 0.928 253 QD LEU 20 QQD LEU 20 -13.751 -3.221 2.841 254 H VAL 21 H VAL 21 -15.659 -2.040 -2.000 255 HA VAL 21 HA VAL 21 -17.712 -0.120 -2.004 256 HB VAL 21 HB VAL 21 -16.361 -1.385 -4.430 257 1HG1 VAL 21 3HG1 VAL 21 -17.941 1.184 -4.218 258 2HG1 VAL 21 2HG1 VAL 21 -17.052 0.651 -5.645 259 3HG1 VAL 21 1HG1 VAL 21 -18.441 -0.275 -5.070 260 1HG2 VAL 21 2HG2 VAL 21 -14.776 -0.299 -2.926 261 2HG2 VAL 21 1HG2 VAL 21 -14.948 0.619 -4.426 262 3HG2 VAL 21 3HG2 VAL 21 -15.743 1.173 -2.952 263 MG1 VAL 21 QG1 VAL 21 -17.811 0.520 -4.978 264 MG2 VAL 21 QG2 VAL 21 -15.155 0.498 -3.435 265 QG VAL 21 QQG VAL 21 -16.483 0.509 -4.206 266 H GLU 22 H GLU 22 -17.737 -3.492 -2.940 267 HA GLU 22 HA GLU 22 -20.337 -3.484 -4.075 268 1HB GLU 22 2HB GLU 22 -18.804 -5.735 -2.764 269 2HB GLU 22 1HB GLU 22 -20.327 -5.943 -3.614 270 1HG GLU 22 2HG GLU 22 -17.752 -4.951 -4.816 271 2HG GLU 22 1HG GLU 22 -18.423 -6.570 -4.996 272 QB GLU 22 QB GLU 22 -19.565 -5.839 -3.189 273 QG GLU 22 QG GLU 22 -18.087 -5.760 -4.906 274 H LYS 23 H LYS 23 -19.215 -4.334 -0.814 275 HA LYS 23 HA LYS 23 -21.921 -4.699 0.069 276 1HB LYS 23 2HB LYS 23 -19.343 -4.785 1.619 277 2HB LYS 23 1HB LYS 23 -20.917 -5.039 2.348 278 1HG LYS 23 2HG LYS 23 -19.686 -6.731 0.171 279 2HG LYS 23 1HG LYS 23 -19.806 -7.160 1.876 280 1HD LYS 23 2HD LYS 23 -22.284 -7.006 1.689 281 2HD LYS 23 1HD LYS 23 -22.102 -6.703 -0.036 282 1HE LYS 23 2HE LYS 23 -22.638 -9.013 0.290 283 2HE LYS 23 1HE LYS 23 -20.969 -8.893 -0.258 284 1HZ LYS 23 1HZ LYS 23 -21.778 -9.237 2.578 285 2HZ LYS 23 3HZ LYS 23 -21.334 -10.486 1.555 286 3HZ LYS 23 2HZ LYS 23 -20.201 -9.324 1.977 287 QB LYS 23 QB LYS 23 -20.130 -4.912 1.984 288 QD LYS 23 QD LYS 23 -22.193 -6.855 0.826 289 QG LYS 23 QG LYS 23 -19.746 -6.945 1.023 290 QE LYS 23 QE LYS 23 -21.804 -8.953 0.016 291 QZ LYS 23 QZ LYS 23 -21.105 -9.682 2.036 292 H TYR 24 H TYR 24 -19.526 -2.176 0.741 293 HA TYR 24 HA TYR 24 -21.605 -0.802 2.277 294 1HB TYR 24 2HB TYR 24 -18.643 -0.183 2.124 295 2HB TYR 24 1HB TYR 24 -19.811 0.560 3.209 296 HD1 TYR 24 1HD TYR 24 -20.904 -0.880 4.987 297 HD2 TYR 24 2HD TYR 24 -17.589 -2.220 2.680 298 HE1 TYR 24 1HE TYR 24 -20.476 -2.658 6.640 299 HE2 TYR 24 2HE TYR 24 -17.154 -3.991 4.315 300 HH TYR 24 HH TYR 24 -17.599 -4.445 6.663 301 QB TYR 24 QB TYR 24 -19.227 0.189 2.667 302 QD TYR 24 QD TYR 24 -19.247 -1.550 3.833 303 QE TYR 24 QE TYR 24 -18.815 -3.324 5.477 304 QR TYR 24 QR TYR 24 -19.031 -2.437 4.655 305 H GLY 25 H GLY 25 -19.370 -0.380 -0.378 306 1HA GLY 25 1HA GLY 25 -21.045 1.864 -1.302 307 2HA GLY 25 2HA GLY 25 -20.099 0.808 -2.348 308 QA GLY 25 QA GLY 25 -20.572 1.336 -1.825 309 H PHE 26 H PHE 26 -20.089 3.749 -2.031 310 HA PHE 26 HA PHE 26 -17.389 4.089 -1.053 311 1HB PHE 26 2HB PHE 26 -16.978 5.734 -2.922 312 2HB PHE 26 1HB PHE 26 -17.154 4.078 -3.458 313 HD1 PHE 26 1HD PHE 26 -18.445 7.442 -3.639 314 HD2 PHE 26 2HD PHE 26 -19.228 3.390 -4.654 315 HE1 PHE 26 1HE PHE 26 -20.115 8.183 -5.284 316 HE2 PHE 26 2HE PHE 26 -20.905 4.122 -6.300 317 HZ PHE 26 HZ PHE 26 -21.341 6.525 -6.618 318 QB PHE 26 QB PHE 26 -17.066 4.906 -3.190 319 QD PHE 26 QD PHE 26 -18.836 5.416 -4.146 320 QE PHE 26 QE PHE 26 -20.510 6.153 -5.792 321 QR PHE 26 QR PHE 26 -20.007 5.932 -5.299 322 H THR 27 H THR 27 -17.067 6.754 -1.032 323 HA THR 27 HA THR 27 -17.344 8.432 0.362 324 HB THR 27 HB THR 27 -19.593 9.528 0.484 325 HG1 THR 27 1HG THR 27 -20.349 7.169 -0.616 326 1HG2 THR 27 1HG2 THR 27 -18.541 8.893 -2.268 327 2HG2 THR 27 3HG2 THR 27 -19.664 10.203 -1.905 328 3HG2 THR 27 2HG2 THR 27 -18.039 10.218 -1.218 329 MG THR 27 QG2 THR 27 -18.748 9.771 -1.797 330 H HIS 28 H HIS 28 -17.610 5.769 1.376 331 HA HIS 28 HA HIS 28 -19.196 6.148 3.803 332 1HB HIS 28 2HB HIS 28 -19.720 4.155 2.413 333 2HB HIS 28 1HB HIS 28 -18.046 3.646 2.516 334 HD1 HIS 28 1HD HIS 28 -21.269 3.580 4.388 335 HD2 HIS 28 2HD HIS 28 -17.302 2.568 4.976 336 HE1 HIS 28 1HE HIS 28 -21.230 2.095 6.409 337 QB HIS 28 QB HIS 28 -18.883 3.901 2.465 338 H HIS 29 H HIS 29 -18.134 6.252 5.709 339 HA HIS 29 HA HIS 29 -15.571 7.248 5.838 340 1HB HIS 29 2HB HIS 29 -17.273 6.018 7.975 341 2HB HIS 29 1HB HIS 29 -15.689 6.682 8.335 342 HD1 HIS 29 1HD HIS 29 -16.270 8.768 9.599 343 HD2 HIS 29 2HD HIS 29 -18.472 8.393 6.103 344 HE1 HIS 29 1HE HIS 29 -17.598 10.897 9.376 345 QB HIS 29 QB HIS 29 -16.481 6.350 8.155 346 H LYS 30 H LYS 30 -16.499 3.905 6.500 347 HA LYS 30 HA LYS 30 -13.938 3.026 7.304 348 1HB LYS 30 2HB LYS 30 -16.016 1.320 5.887 349 2HB LYS 30 1HB LYS 30 -14.737 0.768 6.951 350 1HG LYS 30 2HG LYS 30 -15.781 1.833 8.839 351 2HG LYS 30 1HG LYS 30 -17.049 2.497 7.805 352 1HD LYS 30 2HD LYS 30 -17.633 0.111 7.215 353 2HD LYS 30 1HD LYS 30 -16.527 -0.396 8.490 354 1HE LYS 30 2HE LYS 30 -18.977 1.350 8.828 355 2HE LYS 30 1HE LYS 30 -18.827 -0.333 9.319 356 1HZ LYS 30 1HZ LYS 30 -17.193 1.894 10.439 357 2HZ LYS 30 3HZ LYS 30 -18.570 1.268 11.148 358 3HZ LYS 30 2HZ LYS 30 -17.207 0.303 10.977 359 QB LYS 30 QB LYS 30 -15.376 1.044 6.419 360 QD LYS 30 QD LYS 30 -17.080 -0.143 7.853 361 QG LYS 30 QG LYS 30 -16.415 2.165 8.322 362 QE LYS 30 QE LYS 30 -18.902 0.508 9.073 363 QZ LYS 30 QZ LYS 30 -17.657 1.155 10.854 364 H VAL 31 H VAL 31 -15.574 2.967 4.188 365 HA VAL 31 HA VAL 31 -13.533 1.748 2.694 366 HB VAL 31 HB VAL 31 -15.709 3.632 1.719 367 1HG1 VAL 31 3HG1 VAL 31 -13.933 3.365 0.054 368 2HG1 VAL 31 2HG1 VAL 31 -14.064 1.612 0.186 369 3HG1 VAL 31 1HG1 VAL 31 -15.408 2.548 -0.462 370 1HG2 VAL 31 2HG2 VAL 31 -16.620 1.709 2.918 371 2HG2 VAL 31 1HG2 VAL 31 -16.955 1.583 1.190 372 3HG2 VAL 31 3HG2 VAL 31 -15.667 0.622 1.912 373 MG1 VAL 31 QG1 VAL 31 -14.468 2.509 -0.074 374 MG2 VAL 31 QG2 VAL 31 -16.414 1.305 2.006 375 QG VAL 31 QQG VAL 31 -15.441 1.907 0.966 376 H ILE 32 H ILE 32 -14.295 5.166 3.228 377 HA ILE 32 HA ILE 32 -12.296 6.323 1.653 378 HB ILE 32 HB ILE 32 -13.465 7.331 4.273 379 1HG1 ILE 32 2HG1 ILE 32 -14.163 8.068 1.417 380 2HG1 ILE 32 1HG1 ILE 32 -15.102 6.983 2.434 381 1HG2 ILE 32 1HG2 ILE 32 -11.344 8.446 3.835 382 2HG2 ILE 32 3HG2 ILE 32 -11.882 8.860 2.207 383 3HG2 ILE 32 2HG2 ILE 32 -12.691 9.561 3.609 384 1HD1 ILE 32 3HD1 ILE 32 -14.596 9.906 2.957 385 2HD1 ILE 32 2HD1 ILE 32 -16.093 9.208 2.341 386 3HD1 ILE 32 1HD1 ILE 32 -15.550 8.829 3.976 387 MG ILE 32 QG2 ILE 32 -11.973 8.955 3.217 388 MD ILE 32 QD1 ILE 32 -15.413 9.314 3.091 389 QG ILE 32 QG1 ILE 32 -14.633 7.526 1.926 390 H SER 33 H SER 33 -12.195 5.251 5.012 391 HA SER 33 HA SER 33 -9.571 6.080 5.530 392 1HB SER 33 2HB SER 33 -11.187 3.896 6.856 393 2HB SER 33 1HB SER 33 -9.733 4.648 7.522 394 HG SER 33 HG SER 33 -12.311 5.735 7.172 395 QB SER 33 QB SER 33 -10.460 4.272 7.189 396 H PHE 34 H PHE 34 -10.849 3.016 4.288 397 HA PHE 34 HA PHE 34 -8.321 1.690 4.258 398 1HB PHE 34 2HB PHE 34 -10.828 1.154 2.671 399 2HB PHE 34 1HB PHE 34 -9.417 0.111 2.644 400 HD1 PHE 34 1HD PHE 34 -12.563 0.269 3.755 401 HD2 PHE 34 2HD PHE 34 -8.672 -0.342 5.318 402 HE1 PHE 34 1HE PHE 34 -13.528 -0.986 5.595 403 HE2 PHE 34 2HE PHE 34 -9.623 -1.603 7.199 404 HZ PHE 34 HZ PHE 34 -12.067 -1.933 7.345 405 QB PHE 34 QB PHE 34 -10.122 0.632 2.658 406 QD PHE 34 QD PHE 34 -10.617 -0.037 4.537 407 QE PHE 34 QE PHE 34 -11.576 -1.295 6.397 408 QR PHE 34 QR PHE 34 -11.291 -0.919 5.842 409 H SER 35 H SER 35 -10.095 3.652 1.988 410 HA SER 35 HA SER 35 -8.568 3.236 -0.320 411 1HB SER 35 2HB SER 35 -10.841 4.249 -0.243 412 2HB SER 35 1HB SER 35 -10.154 5.677 0.517 413 HG SER 35 HG SER 35 -10.547 5.722 -1.770 414 QB SER 35 QB SER 35 -10.498 4.963 0.137 415 H GLN 36 H GLN 36 -8.274 5.600 2.299 416 HA GLN 36 HA GLN 36 -6.104 6.979 1.131 417 1HB GLN 36 2HB GLN 36 -6.974 6.805 4.004 418 2HB GLN 36 1HB GLN 36 -5.695 7.866 3.430 419 1HG GLN 36 2HG GLN 36 -7.326 8.956 1.925 420 2HG GLN 36 1HG GLN 36 -8.587 7.936 2.613 421 1HE2 GLN 36 1HE2 GLN 36 -9.671 9.763 3.331 422 2HE2 GLN 36 2HE2 GLN 36 -9.141 10.651 4.713 423 QB GLN 36 QB GLN 36 -6.335 7.336 3.717 424 QG GLN 36 QG GLN 36 -7.956 8.446 2.269 425 QE GLN 36 QE2 GLN 36 -9.406 10.207 4.022 426 H GLU 37 H GLU 37 -6.280 4.122 3.126 427 HA GLU 37 HA GLU 37 -3.507 3.948 3.698 428 1HB GLU 37 2HB GLU 37 -5.496 1.711 3.366 429 2HB GLU 37 1HB GLU 37 -3.903 1.563 4.085 430 1HG GLU 37 2HG GLU 37 -4.601 3.090 5.869 431 2HG GLU 37 1HG GLU 37 -6.215 3.140 5.149 432 QB GLU 37 QB GLU 37 -4.699 1.637 3.725 433 QG GLU 37 QG GLU 37 -5.408 3.115 5.509 434 H LEU 38 H LEU 38 -5.535 2.917 1.052 435 HA LEU 38 HA LEU 38 -3.699 1.324 -0.337 436 1HB LEU 38 2HB LEU 38 -6.187 1.438 -0.689 437 2HB LEU 38 1HB LEU 38 -5.983 3.001 -1.429 438 HG LEU 38 HG LEU 38 -6.436 1.111 -3.011 439 1HD1 LEU 38 1HD1 LEU 38 -3.839 2.546 -3.437 440 2HD1 LEU 38 3HD1 LEU 38 -4.763 1.705 -4.681 441 3HD1 LEU 38 2HD1 LEU 38 -5.445 3.123 -3.879 442 1HD2 LEU 38 3HD2 LEU 38 -3.672 0.230 -2.208 443 2HD2 LEU 38 2HD2 LEU 38 -5.188 -0.633 -1.924 444 3HD2 LEU 38 1HD2 LEU 38 -4.599 -0.404 -3.568 445 MD1 LEU 38 QD1 LEU 38 -4.682 2.458 -3.999 446 MD2 LEU 38 QD2 LEU 38 -4.486 -0.269 -2.567 447 QB LEU 38 QB LEU 38 -6.085 2.220 -1.059 448 QD LEU 38 QQD LEU 38 -4.584 1.095 -3.283 449 H ASP 39 H ASP 39 -4.462 4.763 -0.558 450 HA ASP 39 HA ASP 39 -2.541 5.422 -2.531 451 1HB ASP 39 2HB ASP 39 -4.351 6.958 -2.016 452 2HB ASP 39 1HB ASP 39 -3.773 7.136 -0.366 453 QB ASP 39 QB ASP 39 -4.062 7.047 -1.191 454 H ARG 40 H ARG 40 -2.335 5.346 0.989 455 HA ARG 40 HA ARG 40 0.324 6.271 1.164 456 1HB ARG 40 2HB ARG 40 -1.014 6.251 3.172 457 2HB ARG 40 1HB ARG 40 -1.278 4.524 3.046 458 1HG ARG 40 2HG ARG 40 0.307 5.064 4.840 459 2HG ARG 40 1HG ARG 40 1.066 4.095 3.583 460 1HD ARG 40 2HD ARG 40 2.090 6.158 2.656 461 2HD ARG 40 1HD ARG 40 1.360 7.090 3.964 462 HE ARG 40 HE ARG 40 2.721 5.178 5.282 463 1HH1 ARG 40 1HH1 ARG 40 3.823 7.612 2.856 464 2HH1 ARG 40 2HH1 ARG 40 5.436 7.513 3.424 465 1HH2 ARG 40 1HH2 ARG 40 5.034 5.174 5.946 466 2HH2 ARG 40 2HH2 ARG 40 6.107 6.174 5.072 467 QB ARG 40 QB ARG 40 -1.146 5.387 3.109 468 QG ARG 40 QG ARG 40 0.686 4.579 4.211 469 QD ARG 40 QD ARG 40 1.725 6.624 3.310 470 QH1 ARG 40 QH1 ARG 40 4.629 7.562 3.140 471 QH2 ARG 40 QH2 ARG 40 5.570 5.674 5.509 472 H LEU 41 H LEU 41 -0.993 3.053 0.618 473 HA LEU 41 HA LEU 41 1.441 1.652 0.828 474 1HB LEU 41 2HB LEU 41 -0.935 0.942 -0.916 475 2HB LEU 41 1HB LEU 41 0.408 -0.107 -0.487 476 HG LEU 41 HG LEU 41 -1.627 0.971 1.454 477 1HD1 LEU 41 1HD1 LEU 41 -2.592 -0.654 -0.079 478 2HD1 LEU 41 3HD1 LEU 41 -1.286 -1.783 0.282 479 3HD1 LEU 41 2HD1 LEU 41 -2.435 -1.332 1.541 480 1HD2 LEU 41 2HD2 LEU 41 0.608 -1.029 1.817 481 2HD2 LEU 41 1HD2 LEU 41 0.549 0.594 2.505 482 3HD2 LEU 41 3HD2 LEU 41 -0.612 -0.630 3.023 483 MD1 LEU 41 QD1 LEU 41 -2.104 -1.256 0.582 484 MD2 LEU 41 QD2 LEU 41 0.182 -0.355 2.448 485 QB LEU 41 QB LEU 41 -0.263 0.417 -0.701 486 QD LEU 41 QQD LEU 41 -0.961 -0.805 1.515 487 H LEU 42 H LEU 42 -0.134 3.190 -1.945 488 HA LEU 42 HA LEU 42 1.846 2.609 -3.871 489 1HB LEU 42 2HB LEU 42 -0.221 4.729 -3.591 490 2HB LEU 42 1HB LEU 42 1.053 5.027 -4.743 491 HG LEU 42 HG LEU 42 -0.874 4.171 -5.859 492 1HD1 LEU 42 3HD1 LEU 42 1.276 3.512 -6.741 493 2HD1 LEU 42 2HD1 LEU 42 1.268 2.065 -5.730 494 3HD1 LEU 42 1HD1 LEU 42 0.073 2.253 -7.006 495 1HD2 LEU 42 3HD2 LEU 42 -1.927 2.999 -4.016 496 2HD2 LEU 42 2HD2 LEU 42 -1.776 1.937 -5.417 497 3HD2 LEU 42 1HD2 LEU 42 -0.671 1.768 -4.052 498 MD1 LEU 42 QD1 LEU 42 0.873 2.610 -6.492 499 MD2 LEU 42 QD2 LEU 42 -1.458 2.235 -4.495 500 QB LEU 42 QB LEU 42 0.416 4.878 -4.167 501 QD LEU 42 QQD LEU 42 -0.293 2.422 -5.494 502 H ASN 43 H ASN 43 1.511 5.162 -1.572 503 HA ASN 43 HA ASN 43 3.806 6.575 -2.383 504 1HB ASN 43 2HB ASN 43 2.006 6.819 -0.025 505 2HB ASN 43 1HB ASN 43 3.573 7.622 0.018 506 1HD2 ASN 43 1HD2 ASN 43 0.468 7.482 -1.595 507 2HD2 ASN 43 2HD2 ASN 43 0.612 9.008 -2.372 508 QB ASN 43 QB ASN 43 2.789 7.220 -0.004 509 QD ASN 43 QD2 ASN 43 0.540 8.245 -1.983 510 H LEU 44 H LEU 44 3.481 3.765 -0.525 511 HA LEU 44 HA LEU 44 5.894 4.014 0.915 512 1HB LEU 44 2HB LEU 44 4.429 1.571 -0.047 513 2HB LEU 44 1HB LEU 44 5.842 1.506 0.996 514 HG LEU 44 HG LEU 44 3.172 2.741 1.682 515 1HD1 LEU 44 2HD1 LEU 44 3.123 0.301 1.593 516 2HD1 LEU 44 1HD1 LEU 44 4.507 0.233 2.684 517 3HD1 LEU 44 3HD1 LEU 44 2.969 0.893 3.246 518 1HD2 LEU 44 3HD2 LEU 44 5.670 2.402 3.345 519 2HD2 LEU 44 2HD2 LEU 44 4.975 3.930 2.789 520 3HD2 LEU 44 1HD2 LEU 44 4.102 2.940 3.947 521 MD1 LEU 44 QD1 LEU 44 3.533 0.476 2.507 522 MD2 LEU 44 QD2 LEU 44 4.916 3.091 3.360 523 QB LEU 44 QB LEU 44 5.136 1.539 0.474 524 QD LEU 44 QQD LEU 44 4.224 1.783 2.934 525 H LEU 45 H LEU 45 5.142 2.729 -2.296 526 HA LEU 45 HA LEU 45 7.803 1.938 -2.900 527 1HB LEU 45 2HB LEU 45 5.529 2.711 -4.755 528 2HB LEU 45 1HB LEU 45 7.082 2.175 -5.334 529 HG LEU 45 HG LEU 45 5.567 0.372 -5.534 530 1HD1 LEU 45 3HD1 LEU 45 7.343 -0.150 -3.181 531 2HD1 LEU 45 2HD1 LEU 45 6.557 -1.378 -4.172 532 3HD1 LEU 45 1HD1 LEU 45 7.757 -0.305 -4.888 533 1HD2 LEU 45 2HD2 LEU 45 3.846 1.066 -3.962 534 2HD2 LEU 45 1HD2 LEU 45 4.314 -0.606 -3.683 535 3HD2 LEU 45 3HD2 LEU 45 4.902 0.660 -2.605 536 MD1 LEU 45 QD1 LEU 45 7.219 -0.611 -4.080 537 MD2 LEU 45 QD2 LEU 45 4.354 0.373 -3.417 538 QB LEU 45 QB LEU 45 6.306 2.443 -5.045 539 QD LEU 45 QQD LEU 45 5.787 -0.119 -3.749 540 H ILE 46 H ILE 46 6.036 4.895 -3.253 541 HA ILE 46 HA ILE 46 7.973 6.404 -4.668 542 HB ILE 46 HB ILE 46 5.788 7.327 -2.773 543 1HG1 ILE 46 2HG1 ILE 46 5.796 7.118 -5.793 544 2HG1 ILE 46 1HG1 ILE 46 4.975 6.012 -4.698 545 1HG2 ILE 46 3HG2 ILE 46 7.469 9.075 -3.078 546 2HG2 ILE 46 2HG2 ILE 46 7.308 8.926 -4.830 547 3HG2 ILE 46 1HG2 ILE 46 5.952 9.510 -3.872 548 1HD1 ILE 46 2HD1 ILE 46 4.367 8.943 -5.043 549 2HD1 ILE 46 1HD1 ILE 46 3.422 7.602 -5.695 550 3HD1 ILE 46 3HD1 ILE 46 3.528 7.846 -3.952 551 MG ILE 46 QG2 ILE 46 6.910 9.171 -3.927 552 MD ILE 46 QD1 ILE 46 3.772 8.131 -4.897 553 QG ILE 46 QG1 ILE 46 5.386 6.565 -5.246 554 H GLU 47 H GLU 47 7.301 5.925 -1.244 555 HA GLU 47 HA GLU 47 9.250 7.735 -0.297 556 1HB GLU 47 2HB GLU 47 7.200 7.013 0.954 557 2HB GLU 47 1HB GLU 47 7.951 5.442 1.182 558 1HG GLU 47 2HG GLU 47 9.752 6.491 2.464 559 2HG GLU 47 1HG GLU 47 9.021 8.061 2.195 560 QB GLU 47 QB GLU 47 7.576 6.228 1.068 561 QG GLU 47 QG GLU 47 9.386 7.276 2.330 562 H LEU 48 H LEU 48 9.270 4.288 -1.045 563 HA LEU 48 HA LEU 48 11.694 3.548 0.092 564 1HB LEU 48 2HB LEU 48 10.428 2.617 -2.436 565 2HB LEU 48 1HB LEU 48 11.871 1.899 -1.750 566 HG LEU 48 HG LEU 48 9.096 1.915 -0.589 567 1HD1 LEU 48 3HD1 LEU 48 11.052 -0.131 -1.371 568 2HD1 LEU 48 2HD1 LEU 48 9.463 -0.491 -0.652 569 3HD1 LEU 48 1HD1 LEU 48 9.584 0.277 -2.264 570 1HD2 LEU 48 1HD2 LEU 48 11.669 1.025 0.733 571 2HD2 LEU 48 3HD2 LEU 48 10.618 2.340 1.275 572 3HD2 LEU 48 2HD2 LEU 48 10.046 0.679 1.323 573 MD1 LEU 48 QD1 LEU 48 10.033 -0.115 -1.429 574 MD2 LEU 48 QD2 LEU 48 10.778 1.348 1.110 575 QB LEU 48 QB LEU 48 11.149 2.258 -2.093 576 QD LEU 48 QQD LEU 48 10.405 0.616 -0.159 577 H LYS 49 H LYS 49 11.023 5.233 -2.848 578 HA LYS 49 HA LYS 49 13.592 5.258 -4.000 579 1HB LYS 49 2HB LYS 49 11.518 5.879 -5.173 580 2HB LYS 49 1HB LYS 49 11.345 7.276 -4.135 581 1HG LYS 49 2HG LYS 49 12.131 7.980 -6.263 582 2HG LYS 49 1HG LYS 49 13.451 8.174 -5.105 583 1HD LYS 49 2HD LYS 49 14.462 6.115 -5.913 584 2HD LYS 49 1HD LYS 49 13.106 5.863 -7.012 585 1HE LYS 49 2HE LYS 49 15.054 8.158 -7.061 586 2HE LYS 49 1HE LYS 49 15.024 6.803 -8.184 587 1HZ LYS 49 3HZ LYS 49 12.775 7.544 -8.889 588 2HZ LYS 49 2HZ LYS 49 12.903 8.891 -7.903 589 3HZ LYS 49 1HZ LYS 49 13.951 8.708 -9.197 590 QB LYS 49 QB LYS 49 11.431 6.577 -4.654 591 QD LYS 49 QD LYS 49 13.784 5.989 -6.462 592 QG LYS 49 QG LYS 49 12.791 8.077 -5.684 593 QE LYS 49 QE LYS 49 15.039 7.480 -7.622 594 QZ LYS 49 QZ LYS 49 13.209 8.381 -8.663 595 H THR 50 H THR 50 11.933 7.422 -1.750 596 HA THR 50 HA THR 50 13.903 9.416 -1.564 597 HB THR 50 HB THR 50 11.788 8.776 0.497 598 HG1 THR 50 1HG THR 50 10.321 9.734 -0.798 599 1HG2 THR 50 2HG2 THR 50 12.997 11.363 -0.498 600 2HG2 THR 50 1HG2 THR 50 11.747 11.223 0.747 601 3HG2 THR 50 3HG2 THR 50 13.359 10.562 1.031 602 MG THR 50 QG2 THR 50 12.701 11.049 0.427 603 H LYS 51 H LYS 51 13.693 6.300 -0.152 604 HA LYS 51 HA LYS 51 14.925 6.709 2.378 605 1HB LYS 51 2HB LYS 51 15.010 4.185 0.720 606 2HB LYS 51 1HB LYS 51 15.353 4.316 2.431 607 1HG LYS 51 2HG LYS 51 12.701 4.862 1.146 608 2HG LYS 51 1HG LYS 51 13.143 3.351 1.948 609 1HD LYS 51 2HD LYS 51 13.441 4.640 4.048 610 2HD LYS 51 1HD LYS 51 12.900 6.088 3.192 611 1HE LYS 51 2HE LYS 51 10.786 4.875 2.626 612 2HE LYS 51 1HE LYS 51 11.345 3.561 3.635 613 1HZ LYS 51 3HZ LYS 51 11.083 6.284 4.709 614 2HZ LYS 51 2HZ LYS 51 9.771 5.253 4.695 615 3HZ LYS 51 1HZ LYS 51 11.171 4.855 5.574 616 QB LYS 51 QB LYS 51 15.181 4.251 1.575 617 QD LYS 51 QD LYS 51 13.170 5.364 3.620 618 QG LYS 51 QG LYS 51 12.922 4.107 1.547 619 QE LYS 51 QE LYS 51 11.066 4.218 3.130 620 QZ LYS 51 QZ LYS 51 10.675 5.464 4.993 621 H LYS 52 H LYS 52 16.229 6.741 -0.742 622 HA LYS 52 HA LYS 52 18.196 6.812 -1.733 623 1HB LYS 52 2HB LYS 52 20.120 7.935 -0.731 624 2HB LYS 52 1HB LYS 52 18.639 8.804 -0.407 625 1HG LYS 52 2HG LYS 52 18.671 8.104 1.889 626 2HG LYS 52 1HG LYS 52 20.026 7.012 1.580 627 1HD LYS 52 2HD LYS 52 21.461 8.878 1.045 628 2HD LYS 52 1HD LYS 52 20.102 9.990 1.176 629 1HE LYS 52 2HE LYS 52 21.198 8.335 3.446 630 2HE LYS 52 1HE LYS 52 21.603 10.022 3.147 631 1HZ LYS 52 3HZ LYS 52 19.225 10.569 3.414 632 2HZ LYS 52 2HZ LYS 52 18.898 8.965 3.791 633 3HZ LYS 52 1HZ LYS 52 19.872 9.873 4.796 634 QB LYS 52 QB LYS 52 19.380 8.369 -0.569 635 QD LYS 52 QD LYS 52 20.781 9.434 1.110 636 QG LYS 52 QG LYS 52 19.349 7.558 1.735 637 QE LYS 52 QE LYS 52 21.400 9.179 3.297 638 QZ LYS 52 QZ LYS 52 19.332 9.802 4.000 639 H LYS 53 H LYS 53 18.069 4.691 0.817 640 HA LYS 53 HA LYS 53 20.512 3.350 0.127 641 1HB LYS 53 2HB LYS 53 19.668 1.559 1.669 642 2HB LYS 53 1HB LYS 53 19.884 3.138 2.400 643 1HG LYS 53 2HG LYS 53 17.459 3.538 2.225 644 2HG LYS 53 1HG LYS 53 17.264 1.926 1.533 645 1HD LYS 53 2HD LYS 53 18.499 2.436 4.240 646 2HD LYS 53 1HD LYS 53 16.786 2.104 4.010 647 1HE LYS 53 2HE LYS 53 18.930 0.269 2.983 648 2HE LYS 53 1HE LYS 53 18.270 0.110 4.613 649 1HZ LYS 53 2HZ LYS 53 16.695 -0.037 2.083 650 2HZ LYS 53 1HZ LYS 53 17.212 -1.345 2.991 651 3HZ LYS 53 3HZ LYS 53 16.109 -0.270 3.648 652 QB LYS 53 QB LYS 53 19.776 2.349 2.034 653 QD LYS 53 QD LYS 53 17.643 2.270 4.125 654 QG LYS 53 QG LYS 53 17.361 2.732 1.879 655 QE LYS 53 QE LYS 53 18.600 0.189 3.798 656 QZ LYS 53 QZ LYS 53 16.672 -0.550 2.907 657 H ARG 54 H ARG 54 17.642 3.552 -1.361 658 HA ARG 54 HA ARG 54 17.701 0.877 -2.437 659 1HB ARG 54 2HB ARG 54 15.872 3.222 -3.025 660 2HB ARG 54 1HB ARG 54 15.760 1.677 -3.850 661 1HG ARG 54 2HG ARG 54 15.429 2.060 -0.875 662 2HG ARG 54 1HG ARG 54 14.106 1.948 -2.031 663 1HD ARG 54 2HD ARG 54 16.163 -0.203 -1.471 664 2HD ARG 54 1HD ARG 54 14.497 -0.185 -0.893 665 HE ARG 54 HE ARG 54 14.585 0.047 -3.709 666 1HH1 ARG 54 1HH1 ARG 54 14.794 -2.389 -1.119 667 2HH1 ARG 54 2HH1 ARG 54 14.434 -3.677 -2.164 668 1HH2 ARG 54 1HH2 ARG 54 14.061 -1.723 -5.080 669 2HH2 ARG 54 2HH2 ARG 54 13.994 -3.314 -4.464 670 QB ARG 54 QB ARG 54 15.816 2.449 -3.438 671 QG ARG 54 QG ARG 54 14.767 2.004 -1.453 672 QD ARG 54 QD ARG 54 15.330 -0.194 -1.182 673 QH1 ARG 54 QH1 ARG 54 14.614 -3.033 -1.641 674 QH2 ARG 54 QH2 ARG 54 14.027 -2.518 -4.772 675 H TYR 55 H TYR 55 18.143 0.509 -4.670 676 HA TYR 55 HA TYR 55 20.527 1.796 -5.391 677 1HB TYR 55 2HB TYR 55 18.876 -0.080 -7.086 678 2HB TYR 55 1HB TYR 55 20.580 0.306 -7.285 679 HD1 TYR 55 1HD TYR 55 18.180 -1.764 -5.573 680 HD2 TYR 55 2HD TYR 55 22.203 -0.394 -5.498 681 HE1 TYR 55 1HE TYR 55 18.770 -3.595 -4.052 682 HE2 TYR 55 2HE TYR 55 22.797 -2.230 -3.982 683 HH TYR 55 HH TYR 55 21.596 -3.636 -2.310 684 QB TYR 55 QB TYR 55 19.728 0.113 -7.185 685 QD TYR 55 QD TYR 55 20.191 -1.079 -5.535 686 QE TYR 55 QE TYR 55 20.784 -2.913 -4.017 687 QR TYR 55 QR TYR 55 20.487 -1.996 -4.776 688 H SER 56 H SER 56 17.241 2.286 -6.479 689 HA SER 56 HA SER 56 17.863 3.535 -8.894 690 1HB SER 56 2HB SER 56 15.456 4.330 -8.699 691 2HB SER 56 1HB SER 56 15.733 2.592 -8.729 692 HG SER 56 HG SER 56 14.277 3.305 -7.130 693 QB SER 56 QB SER 56 15.594 3.461 -8.714 694 H LEU 57 H LEU 57 18.164 4.795 -5.721 695 HA LEU 57 HA LEU 57 17.832 7.503 -6.728 696 1HB LEU 57 2HB LEU 57 17.061 6.976 -4.407 697 2HB LEU 57 1HB LEU 57 18.720 6.665 -3.952 698 HG LEU 57 HG LEU 57 18.048 9.365 -5.073 699 1HD1 LEU 57 1HD1 LEU 57 16.306 8.987 -3.435 700 2HD1 LEU 57 3HD1 LEU 57 17.509 8.571 -2.213 701 3HD1 LEU 57 2HD1 LEU 57 17.457 10.199 -2.882 702 1HD2 LEU 57 2HD2 LEU 57 19.947 8.432 -2.919 703 2HD2 LEU 57 1HD2 LEU 57 20.359 8.802 -4.595 704 3HD2 LEU 57 3HD2 LEU 57 19.799 10.087 -3.527 705 MD1 LEU 57 QD1 LEU 57 17.091 9.253 -2.843 706 MD2 LEU 57 QD2 LEU 57 20.035 9.107 -3.680 707 QB LEU 57 QB LEU 57 17.890 6.820 -4.179 708 QD LEU 57 QQD LEU 57 18.563 9.180 -3.262 709 H LEU 58 H LEU 58 20.354 5.270 -6.068 710 HA LEU 58 HA LEU 58 22.421 7.276 -6.412 711 1HB LEU 58 2HB LEU 58 22.678 4.253 -6.404 712 2HB LEU 58 1HB LEU 58 24.015 5.371 -6.444 713 HG LEU 58 HG LEU 58 23.186 6.165 -4.147 714 1HD1 LEU 58 2HD1 LEU 58 21.709 3.555 -4.312 715 2HD1 LEU 58 1HD1 LEU 58 21.933 4.521 -2.853 716 3HD1 LEU 58 3HD1 LEU 58 20.989 5.159 -4.200 717 1HD2 LEU 58 3HD2 LEU 58 25.207 4.868 -4.476 718 2HD2 LEU 58 2HD2 LEU 58 24.370 4.355 -3.014 719 3HD2 LEU 58 1HD2 LEU 58 24.268 3.378 -4.480 720 MD1 LEU 58 QD1 LEU 58 21.544 4.412 -3.788 721 MD2 LEU 58 QD2 LEU 58 24.615 4.200 -3.990 722 QB LEU 58 QB LEU 58 23.346 4.812 -6.424 723 QD LEU 58 QQD LEU 58 23.079 4.306 -3.889 724 H GLU 59 H GLU 59 21.246 4.439 -8.132 725 HA GLU 59 HA GLU 59 22.461 5.451 -10.572 726 1HB GLU 59 2HB GLU 59 21.350 2.711 -9.943 727 2HB GLU 59 1HB GLU 59 22.215 3.174 -11.404 728 1HG GLU 59 2HG GLU 59 24.224 3.588 -10.114 729 2HG GLU 59 1HG GLU 59 23.368 3.194 -8.631 730 QB GLU 59 QB GLU 59 21.783 2.942 -10.674 731 QG GLU 59 QG GLU 59 23.796 3.391 -9.373 732 H HIS 60 H HIS 60 20.939 6.908 -11.106 733 HA HIS 60 HA HIS 60 18.170 5.969 -11.280 734 1HB HIS 60 2HB HIS 60 18.577 7.951 -9.809 735 2HB HIS 60 1HB HIS 60 19.160 8.821 -11.224 736 HD1 HIS 60 1HD HIS 60 17.389 10.194 -12.412 737 HD2 HIS 60 2HD HIS 60 15.785 7.085 -10.169 738 HE1 HIS 60 1HE HIS 60 14.890 10.455 -12.536 739 QB HIS 60 QB HIS 60 18.869 8.386 -10.517 740 H HIS 61 H HIS 61 17.974 5.147 -13.199 741 HA HIS 61 HA HIS 61 19.163 6.427 -15.509 742 1HB HIS 61 2HB HIS 61 17.437 3.939 -15.300 743 2HB HIS 61 1HB HIS 61 18.156 4.535 -16.787 744 HD1 HIS 61 1HD HIS 61 20.415 3.545 -17.343 745 HD2 HIS 61 2HD HIS 61 19.458 3.199 -13.315 746 HE1 HIS 61 1HE HIS 61 22.232 2.148 -16.314 747 QB HIS 61 QB HIS 61 17.797 4.237 -16.043 748 H HIS 62 H HIS 62 18.139 7.868 -16.622 749 HA HIS 62 HA HIS 62 15.324 8.334 -16.071 750 1HB HIS 62 2HB HIS 62 16.852 10.230 -15.724 751 2HB HIS 62 1HB HIS 62 17.442 10.072 -17.370 752 HD1 HIS 62 1HD HIS 62 16.400 11.682 -18.950 753 HD2 HIS 62 2HD HIS 62 13.930 10.845 -15.724 754 HE1 HIS 62 1HE HIS 62 14.384 13.174 -19.208 755 QB HIS 62 QB HIS 62 17.147 10.151 -16.547 756 H HIS 63 H HIS 63 14.195 7.048 -17.397 757 HA HIS 63 HA HIS 63 14.984 6.854 -20.196 758 1HB HIS 63 2HB HIS 63 14.362 4.778 -18.893 759 2HB HIS 63 1HB HIS 63 12.740 5.428 -18.727 760 HD1 HIS 63 1HD HIS 63 14.555 3.105 -20.737 761 HD2 HIS 63 2HD HIS 63 11.620 5.949 -21.517 762 HE1 HIS 63 1HE HIS 63 13.448 2.418 -22.892 763 QB HIS 63 QB HIS 63 13.551 5.103 -18.810 764 H HIS 64 H HIS 64 14.206 8.398 -21.449 765 HA HIS 64 HA HIS 64 11.430 9.121 -21.323 766 1HB HIS 64 2HB HIS 64 12.703 10.638 -19.698 767 2HB HIS 64 1HB HIS 64 13.580 11.245 -21.086 768 HD1 HIS 64 1HD HIS 64 10.952 12.250 -18.993 769 HD2 HIS 64 2HD HIS 64 11.444 12.186 -23.119 770 HE1 HIS 64 1HE HIS 64 9.371 13.965 -19.909 771 QB HIS 64 QB HIS 64 13.142 10.942 -20.392 No H/Q in entry = 771 Start of MODEL 4 1 H1 MET 1 2HT MET 1 12.279 -6.395 1.682 2 H2 MET 1 1HT MET 1 13.508 -5.552 2.469 3 H3 MET 1 3HT MET 1 12.427 -4.759 1.447 4 HA MET 1 HA MET 1 14.476 -5.017 0.297 5 1HB MET 1 2HB MET 1 14.110 -7.938 0.983 6 2HB MET 1 1HB MET 1 15.122 -7.414 -0.345 7 1HG MET 1 2HG MET 1 15.505 -6.605 2.528 8 2HG MET 1 1HG MET 1 16.364 -7.918 1.722 9 1HE MET 1 2HE MET 1 18.064 -7.558 -0.300 10 2HE MET 1 1HE MET 1 16.863 -6.661 -1.224 11 3HE MET 1 3HE MET 1 18.473 -5.984 -0.978 12 QB MET 1 QB MET 1 14.616 -7.676 0.319 13 QG MET 1 QG MET 1 15.935 -7.261 2.125 14 ME MET 1 QE MET 1 17.800 -6.734 -0.834 15 H ASN 2 H ASN 2 12.115 -7.652 -0.089 16 HA ASN 2 HA ASN 2 12.018 -7.253 -2.919 17 1HB ASN 2 2HB ASN 2 10.192 -8.948 -1.182 18 2HB ASN 2 1HB ASN 2 10.329 -9.028 -2.926 19 1HD2 ASN 2 1HD2 ASN 2 10.806 -11.239 -2.858 20 2HD2 ASN 2 2HD2 ASN 2 12.311 -11.831 -2.290 21 QB ASN 2 QB ASN 2 10.261 -8.988 -2.054 22 QD ASN 2 QD2 ASN 2 11.559 -11.535 -2.574 23 H VAL 3 H VAL 3 11.304 -5.114 -3.124 24 HA VAL 3 HA VAL 3 8.954 -4.165 -1.876 25 HB VAL 3 HB VAL 3 9.030 -2.250 -3.425 26 1HG1 VAL 3 3HG1 VAL 3 10.340 -2.199 -1.365 27 2HG1 VAL 3 2HG1 VAL 3 11.682 -2.994 -2.182 28 3HG1 VAL 3 1HG1 VAL 3 11.214 -1.362 -2.650 29 1HG2 VAL 3 2HG2 VAL 3 11.388 -3.685 -4.643 30 2HG2 VAL 3 1HG2 VAL 3 9.847 -3.338 -5.423 31 3HG2 VAL 3 3HG2 VAL 3 10.933 -2.017 -4.988 32 MG1 VAL 3 QG1 VAL 3 11.079 -2.185 -2.066 33 MG2 VAL 3 QG2 VAL 3 10.722 -3.013 -5.018 34 QG VAL 3 QQG VAL 3 10.901 -2.599 -3.542 35 H THR 4 H THR 4 9.376 -6.084 -4.606 36 HA THR 4 HA THR 4 6.975 -5.598 -5.959 37 HB THR 4 HB THR 4 8.748 -6.981 -6.950 38 HG1 THR 4 1HG THR 4 7.175 -7.700 -8.063 39 1HG2 THR 4 2HG2 THR 4 7.964 -9.058 -4.904 40 2HG2 THR 4 1HG2 THR 4 9.083 -9.319 -6.248 41 3HG2 THR 4 3HG2 THR 4 9.492 -8.178 -4.964 42 MG THR 4 QG2 THR 4 8.846 -8.851 -5.372 43 H LYS 5 H LYS 5 7.628 -7.248 -2.975 44 HA LYS 5 HA LYS 5 5.137 -8.653 -2.899 45 1HB LYS 5 2HB LYS 5 7.012 -8.026 -0.615 46 2HB LYS 5 1HB LYS 5 5.702 -9.196 -0.597 47 1HG LYS 5 2HG LYS 5 6.889 -10.458 -2.394 48 2HG LYS 5 1HG LYS 5 8.225 -9.328 -2.226 49 1HD LYS 5 2HD LYS 5 8.890 -11.126 -0.903 50 2HD LYS 5 1HD LYS 5 8.212 -9.990 0.259 51 1HE LYS 5 2HE LYS 5 6.809 -12.430 -0.877 52 2HE LYS 5 1HE LYS 5 7.522 -12.295 0.723 53 1HZ LYS 5 1HZ LYS 5 5.863 -10.494 1.149 54 2HZ LYS 5 3HZ LYS 5 5.099 -10.924 -0.312 55 3HZ LYS 5 2HZ LYS 5 5.257 -12.037 0.944 56 QB LYS 5 QB LYS 5 6.357 -8.611 -0.606 57 QD LYS 5 QD LYS 5 8.551 -10.558 -0.322 58 QG LYS 5 QG LYS 5 7.557 -9.893 -2.310 59 QE LYS 5 QE LYS 5 7.165 -12.362 -0.077 60 QZ LYS 5 QZ LYS 5 5.406 -11.152 0.594 61 H LEU 6 H LEU 6 6.316 -5.548 -1.949 62 HA LEU 6 HA LEU 6 4.109 -4.848 -0.291 63 1HB LEU 6 2HB LEU 6 6.452 -3.727 -0.430 64 2HB LEU 6 1HB LEU 6 5.854 -2.946 -1.873 65 HG LEU 6 HG LEU 6 5.853 -1.465 0.109 66 1HD1 LEU 6 3HD1 LEU 6 3.105 -2.039 -0.944 67 2HD1 LEU 6 2HD1 LEU 6 3.592 -0.581 -0.080 68 3HD1 LEU 6 1HD1 LEU 6 4.300 -0.956 -1.653 69 1HD2 LEU 6 1HD2 LEU 6 5.400 -3.135 1.824 70 2HD2 LEU 6 3HD2 LEU 6 4.259 -1.794 1.909 71 3HD2 LEU 6 2HD2 LEU 6 3.754 -3.328 1.207 72 MD1 LEU 6 QD1 LEU 6 3.666 -1.192 -0.892 73 MD2 LEU 6 QD2 LEU 6 4.471 -2.753 1.647 74 QB LEU 6 QB LEU 6 6.153 -3.337 -1.151 75 QD LEU 6 QQD LEU 6 4.068 -1.972 0.377 76 H ASN 7 H ASN 7 4.963 -4.488 -3.673 77 HA ASN 7 HA ASN 7 2.696 -3.120 -4.601 78 1HB ASN 7 2HB ASN 7 4.656 -3.385 -6.029 79 2HB ASN 7 1HB ASN 7 4.461 -5.132 -6.029 80 1HD2 ASN 7 1HD2 ASN 7 3.326 -2.120 -7.358 81 2HD2 ASN 7 2HD2 ASN 7 2.341 -2.831 -8.572 82 QB ASN 7 QB ASN 7 4.558 -4.258 -6.029 83 QD ASN 7 QD2 ASN 7 2.833 -2.476 -7.965 84 H ASP 8 H ASP 8 3.323 -6.548 -4.196 85 HA ASP 8 HA ASP 8 0.899 -7.612 -5.129 86 1HB ASP 8 2HB ASP 8 2.736 -9.087 -4.758 87 2HB ASP 8 1HB ASP 8 2.880 -8.596 -3.080 88 QB ASP 8 QB ASP 8 2.808 -8.842 -3.919 89 H ARG 9 H ARG 9 1.841 -6.473 -1.939 90 HA ARG 9 HA ARG 9 -0.549 -7.065 -0.590 91 1HB ARG 9 2HB ARG 9 1.490 -4.897 -0.095 92 2HB ARG 9 1HB ARG 9 0.149 -5.230 0.984 93 1HG ARG 9 2HG ARG 9 1.003 -7.469 1.388 94 2HG ARG 9 1HG ARG 9 2.331 -7.178 0.259 95 1HD ARG 9 2HD ARG 9 3.006 -6.894 2.615 96 2HD ARG 9 1HD ARG 9 3.185 -5.408 1.685 97 HE ARG 9 HE ARG 9 0.668 -5.361 2.818 98 1HH1 ARG 9 1HH1 ARG 9 4.004 -5.414 4.060 99 2HH1 ARG 9 2HH1 ARG 9 3.607 -4.485 5.437 100 1HH2 ARG 9 1HH2 ARG 9 0.178 -4.084 4.719 101 2HH2 ARG 9 2HH2 ARG 9 1.440 -3.722 5.807 102 QB ARG 9 QB ARG 9 0.819 -5.063 0.444 103 QG ARG 9 QG ARG 9 1.667 -7.323 0.823 104 QD ARG 9 QD ARG 9 3.096 -6.151 2.150 105 QH1 ARG 9 QH1 ARG 9 3.805 -4.950 4.749 106 QH2 ARG 9 QH2 ARG 9 0.809 -3.903 5.263 107 H ILE 10 H ILE 10 0.459 -4.235 -2.436 108 HA ILE 10 HA ILE 10 -1.810 -2.650 -1.979 109 HB ILE 10 HB ILE 10 -0.109 -2.753 -4.496 110 1HG1 ILE 10 2HG1 ILE 10 0.120 -0.935 -2.096 111 2HG1 ILE 10 1HG1 ILE 10 1.178 -2.303 -2.422 112 1HG2 ILE 10 2HG2 ILE 10 -1.950 -0.577 -3.461 113 2HG2 ILE 10 1HG2 ILE 10 -0.903 -0.439 -4.873 114 3HG2 ILE 10 3HG2 ILE 10 -2.235 -1.593 -4.872 115 1HD1 ILE 10 1HD1 ILE 10 0.872 0.152 -4.131 116 2HD1 ILE 10 3HD1 ILE 10 2.214 -0.198 -3.043 117 3HD1 ILE 10 2HD1 ILE 10 1.943 -1.207 -4.465 118 MG ILE 10 QG2 ILE 10 -1.696 -0.869 -4.402 119 MD ILE 10 QD1 ILE 10 1.677 -0.418 -3.880 120 QG ILE 10 QG1 ILE 10 0.649 -1.619 -2.259 121 H GLU 11 H GLU 11 -1.117 -5.020 -4.534 122 HA GLU 11 HA GLU 11 -3.522 -4.863 -5.939 123 1HB GLU 11 2HB GLU 11 -1.680 -7.199 -5.492 124 2HB GLU 11 1HB GLU 11 -3.098 -7.311 -6.524 125 1HG GLU 11 2HG GLU 11 -0.775 -5.438 -6.897 126 2HG GLU 11 1HG GLU 11 -1.072 -6.922 -7.802 127 QB GLU 11 QB GLU 11 -2.389 -7.255 -6.008 128 QG GLU 11 QG GLU 11 -0.923 -6.180 -7.350 129 H ALA 12 H ALA 12 -2.712 -6.821 -3.130 130 HA ALA 12 HA ALA 12 -5.157 -8.212 -2.965 131 1HB ALA 12 1HB ALA 12 -3.124 -8.927 -1.797 132 2HB ALA 12 2HB ALA 12 -4.488 -8.767 -0.689 133 3HB ALA 12 3HB ALA 12 -3.240 -7.523 -0.737 134 MB ALA 12 QB ALA 12 -3.618 -8.406 -1.074 135 H LYS 13 H LYS 13 -4.094 -5.123 -1.699 136 HA LYS 13 HA LYS 13 -6.370 -4.713 -0.039 137 1HB LYS 13 2HB LYS 13 -4.093 -3.603 0.218 138 2HB LYS 13 1HB LYS 13 -4.530 -2.581 -1.142 139 1HG LYS 13 2HG LYS 13 -4.931 -1.391 0.916 140 2HG LYS 13 1HG LYS 13 -6.483 -1.766 0.157 141 1HD LYS 13 2HD LYS 13 -6.776 -3.679 1.639 142 2HD LYS 13 1HD LYS 13 -5.196 -3.379 2.357 143 1HE LYS 13 2HE LYS 13 -6.021 -1.209 3.178 144 2HE LYS 13 1HE LYS 13 -7.599 -1.564 2.476 145 1HZ LYS 13 2HZ LYS 13 -6.239 -3.189 4.538 146 2HZ LYS 13 1HZ LYS 13 -7.523 -2.133 4.847 147 3HZ LYS 13 3HZ LYS 13 -7.761 -3.500 3.866 148 QB LYS 13 QB LYS 13 -4.312 -3.092 -0.462 149 QD LYS 13 QD LYS 13 -5.986 -3.529 1.998 150 QG LYS 13 QG LYS 13 -5.707 -1.578 0.536 151 QE LYS 13 QE LYS 13 -6.810 -1.386 2.827 152 QZ LYS 13 QZ LYS 13 -7.174 -2.940 4.417 153 H LYS 14 H LYS 14 -5.443 -3.836 -3.282 154 HA LYS 14 HA LYS 14 -7.605 -2.169 -3.944 155 1HB LYS 14 2HB LYS 14 -5.780 -3.898 -5.618 156 2HB LYS 14 1HB LYS 14 -7.017 -2.874 -6.341 157 1HG LYS 14 2HG LYS 14 -6.001 -0.910 -5.553 158 2HG LYS 14 1HG LYS 14 -4.957 -1.792 -4.449 159 1HD LYS 14 2HD LYS 14 -3.714 -0.904 -6.356 160 2HD LYS 14 1HD LYS 14 -3.688 -2.658 -6.335 161 1HE LYS 14 2HE LYS 14 -5.709 -1.196 -8.005 162 2HE LYS 14 1HE LYS 14 -4.051 -1.369 -8.569 163 1HZ LYS 14 3HZ LYS 14 -5.851 -3.640 -7.850 164 2HZ LYS 14 2HZ LYS 14 -5.460 -3.154 -9.407 165 3HZ LYS 14 1HZ LYS 14 -4.253 -3.736 -8.387 166 QB LYS 14 QB LYS 14 -6.399 -3.386 -5.980 167 QD LYS 14 QD LYS 14 -3.701 -1.781 -6.345 168 QG LYS 14 QG LYS 14 -5.479 -1.351 -5.001 169 QE LYS 14 QE LYS 14 -4.880 -1.283 -8.287 170 QZ LYS 14 QZ LYS 14 -5.188 -3.510 -8.548 171 H LYS 15 H LYS 15 -7.173 -5.647 -4.410 172 HA LYS 15 HA LYS 15 -9.676 -6.276 -5.519 173 1HB LYS 15 2HB LYS 15 -7.945 -7.900 -3.662 174 2HB LYS 15 1HB LYS 15 -9.278 -8.535 -4.616 175 1HG LYS 15 2HG LYS 15 -8.093 -8.040 -6.665 176 2HG LYS 15 1HG LYS 15 -6.810 -7.237 -5.760 177 1HD LYS 15 2HD LYS 15 -6.071 -9.440 -6.376 178 2HD LYS 15 1HD LYS 15 -6.312 -9.381 -4.631 179 1HE LYS 15 2HE LYS 15 -7.213 -11.449 -5.410 180 2HE LYS 15 1HE LYS 15 -8.560 -10.385 -5.004 181 1HZ LYS 15 1HZ LYS 15 -7.533 -10.762 -7.760 182 2HZ LYS 15 3HZ LYS 15 -8.847 -11.592 -7.125 183 3HZ LYS 15 2HZ LYS 15 -8.925 -9.927 -7.315 184 QB LYS 15 QB LYS 15 -8.611 -8.218 -4.139 185 QD LYS 15 QD LYS 15 -6.192 -9.410 -5.503 186 QG LYS 15 QG LYS 15 -7.451 -7.639 -6.212 187 QE LYS 15 QE LYS 15 -7.886 -10.917 -5.207 188 QZ LYS 15 QZ LYS 15 -8.435 -10.760 -7.400 189 H GLU 16 H GLU 16 -8.612 -5.960 -2.202 190 HA GLU 16 HA GLU 16 -10.970 -6.809 -0.922 191 1HB GLU 16 2HB GLU 16 -8.800 -6.728 0.201 192 2HB GLU 16 1HB GLU 16 -8.763 -4.983 0.027 193 1HG GLU 16 2HG GLU 16 -10.711 -4.800 1.483 194 2HG GLU 16 1HG GLU 16 -10.734 -6.551 1.674 195 QB GLU 16 QB GLU 16 -8.782 -5.856 0.114 196 QG GLU 16 QG GLU 16 -10.722 -5.676 1.579 197 H LEU 17 H LEU 17 -9.699 -3.563 -1.654 198 HA LEU 17 HA LEU 17 -11.799 -2.138 -0.514 199 1HB LEU 17 2HB LEU 17 -9.659 -1.103 -1.085 200 2HB LEU 17 1HB LEU 17 -10.013 -1.290 -2.792 201 HG LEU 17 HG LEU 17 -11.903 0.279 -2.571 202 1HD1 LEU 17 2HD1 LEU 17 -10.966 0.546 0.272 203 2HD1 LEU 17 1HD1 LEU 17 -12.153 1.592 -0.515 204 3HD1 LEU 17 3HD1 LEU 17 -12.506 -0.116 -0.266 205 1HD2 LEU 17 2HD2 LEU 17 -9.302 1.330 -1.492 206 2HD2 LEU 17 1HD2 LEU 17 -9.719 1.139 -3.200 207 3HD2 LEU 17 3HD2 LEU 17 -10.589 2.304 -2.198 208 MD1 LEU 17 QD1 LEU 17 -11.875 0.674 -0.169 209 MD2 LEU 17 QD2 LEU 17 -9.870 1.591 -2.297 210 QB LEU 17 QB LEU 17 -9.836 -1.196 -1.939 211 QD LEU 17 QQD LEU 17 -10.872 1.133 -1.233 212 H ILE 18 H ILE 18 -11.420 -3.306 -3.824 213 HA ILE 18 HA ILE 18 -13.714 -2.148 -4.925 214 HB ILE 18 HB ILE 18 -12.441 -4.834 -5.577 215 1HG1 ILE 18 2HG1 ILE 18 -12.220 -2.141 -6.940 216 2HG1 ILE 18 1HG1 ILE 18 -10.999 -2.855 -5.897 217 1HG2 ILE 18 3HG2 ILE 18 -14.762 -4.812 -6.357 218 2HG2 ILE 18 2HG2 ILE 18 -14.471 -3.288 -7.197 219 3HG2 ILE 18 1HG2 ILE 18 -13.638 -4.750 -7.717 220 1HD1 ILE 18 1HD1 ILE 18 -11.938 -3.965 -8.530 221 2HD1 ILE 18 3HD1 ILE 18 -10.428 -3.098 -8.245 222 3HD1 ILE 18 2HD1 ILE 18 -10.697 -4.672 -7.494 223 MG ILE 18 QG2 ILE 18 -14.291 -4.283 -7.090 224 MD ILE 18 QD1 ILE 18 -11.021 -3.911 -8.089 225 QG ILE 18 QG1 ILE 18 -11.610 -2.498 -6.419 226 H TYR 19 H TYR 19 -13.340 -5.151 -3.125 227 HA TYR 19 HA TYR 19 -16.047 -5.967 -3.262 228 1HB TYR 19 2HB TYR 19 -14.306 -7.559 -2.749 229 2HB TYR 19 1HB TYR 19 -13.815 -6.638 -1.337 230 HD1 TYR 19 1HD TYR 19 -16.657 -8.587 -2.734 231 HD2 TYR 19 2HD TYR 19 -14.695 -7.167 0.761 232 HE1 TYR 19 1HE TYR 19 -18.119 -9.995 -1.346 233 HE2 TYR 19 2HE TYR 19 -16.151 -8.564 2.157 234 HH TYR 19 HH TYR 19 -18.105 -11.009 0.813 235 QB TYR 19 QB TYR 19 -14.061 -7.099 -2.043 236 QD TYR 19 QD TYR 19 -15.676 -7.877 -0.987 237 QE TYR 19 QE TYR 19 -17.135 -9.280 0.405 238 QR TYR 19 QR TYR 19 -16.405 -8.578 -0.291 239 H LEU 20 H LEU 20 -14.216 -4.052 -0.949 240 HA LEU 20 HA LEU 20 -16.249 -3.817 0.986 241 1HB LEU 20 2HB LEU 20 -13.903 -2.000 0.458 242 2HB LEU 20 1HB LEU 20 -14.890 -1.977 1.906 243 HG LEU 20 HG LEU 20 -13.183 -4.305 1.022 244 1HD1 LEU 20 3HD1 LEU 20 -12.724 -2.278 3.173 245 2HD1 LEU 20 2HD1 LEU 20 -11.768 -3.730 2.923 246 3HD1 LEU 20 1HD1 LEU 20 -11.798 -2.468 1.687 247 1HD2 LEU 20 2HD2 LEU 20 -14.719 -3.854 3.574 248 2HD2 LEU 20 1HD2 LEU 20 -15.120 -5.027 2.316 249 3HD2 LEU 20 3HD2 LEU 20 -13.637 -5.205 3.252 250 MD1 LEU 20 QD1 LEU 20 -12.096 -2.825 2.594 251 MD2 LEU 20 QD2 LEU 20 -14.492 -4.695 3.047 252 QB LEU 20 QB LEU 20 -14.397 -1.989 1.182 253 QD LEU 20 QQD LEU 20 -13.294 -3.760 2.821 254 H VAL 21 H VAL 21 -15.423 -1.812 -1.794 255 HA VAL 21 HA VAL 21 -17.300 0.242 -1.302 256 HB VAL 21 HB VAL 21 -16.272 -0.764 -3.983 257 1HG1 VAL 21 2HG1 VAL 21 -17.660 1.828 -3.302 258 2HG1 VAL 21 1HG1 VAL 21 -16.932 1.447 -4.864 259 3HG1 VAL 21 3HG1 VAL 21 -18.315 0.519 -4.285 260 1HG2 VAL 21 3HG2 VAL 21 -15.334 1.531 -2.261 261 2HG2 VAL 21 2HG2 VAL 21 -14.469 0.019 -2.554 262 3HG2 VAL 21 1HG2 VAL 21 -14.736 1.151 -3.876 263 MG1 VAL 21 QG1 VAL 21 -17.636 1.265 -4.150 264 MG2 VAL 21 QG2 VAL 21 -14.846 0.900 -2.897 265 QG VAL 21 QQG VAL 21 -16.241 1.082 -3.523 266 H GLU 22 H GLU 22 -17.562 -2.858 -2.892 267 HA GLU 22 HA GLU 22 -20.207 -2.542 -3.823 268 1HB GLU 22 2HB GLU 22 -18.662 -5.037 -3.147 269 2HB GLU 22 1HB GLU 22 -20.238 -5.034 -3.920 270 1HG GLU 22 2HG GLU 22 -17.742 -3.786 -5.018 271 2HG GLU 22 1HG GLU 22 -18.421 -5.333 -5.514 272 QB GLU 22 QB GLU 22 -19.450 -5.035 -3.534 273 QG GLU 22 QG GLU 22 -18.082 -4.560 -5.266 274 H LYS 23 H LYS 23 -18.866 -3.749 -0.818 275 HA LYS 23 HA LYS 23 -21.467 -4.580 0.087 276 1HB LYS 23 2HB LYS 23 -18.876 -4.550 1.615 277 2HB LYS 23 1HB LYS 23 -20.372 -5.297 2.153 278 1HG LYS 23 2HG LYS 23 -18.649 -6.110 -0.182 279 2HG LYS 23 1HG LYS 23 -18.930 -7.006 1.306 280 1HD LYS 23 2HD LYS 23 -21.008 -6.379 -0.802 281 2HD LYS 23 1HD LYS 23 -20.189 -7.918 -0.585 282 1HE LYS 23 2HE LYS 23 -21.215 -8.199 1.601 283 2HE LYS 23 1HE LYS 23 -21.961 -6.605 1.481 284 1HZ LYS 23 3HZ LYS 23 -23.221 -7.380 -0.416 285 2HZ LYS 23 2HZ LYS 23 -22.513 -8.908 -0.301 286 3HZ LYS 23 1HZ LYS 23 -23.519 -8.353 0.927 287 QB LYS 23 QB LYS 23 -19.624 -4.924 1.884 288 QD LYS 23 QD LYS 23 -20.599 -7.149 -0.693 289 QG LYS 23 QG LYS 23 -18.790 -6.558 0.562 290 QE LYS 23 QE LYS 23 -21.588 -7.402 1.541 291 QZ LYS 23 QZ LYS 23 -23.085 -8.214 0.070 292 H TYR 24 H TYR 24 -19.241 -1.984 1.010 293 HA TYR 24 HA TYR 24 -21.225 -1.091 2.969 294 1HB TYR 24 2HB TYR 24 -18.387 -0.189 2.494 295 2HB TYR 24 1HB TYR 24 -19.444 0.445 3.746 296 HD1 TYR 24 1HD TYR 24 -17.499 -2.477 2.633 297 HD2 TYR 24 2HD TYR 24 -19.833 -0.803 5.767 298 HE1 TYR 24 1HE TYR 24 -16.694 -4.225 4.161 299 HE2 TYR 24 2HE TYR 24 -19.032 -2.544 7.298 300 HH TYR 24 HH TYR 24 -18.119 -4.752 7.188 301 QB TYR 24 QB TYR 24 -18.916 0.128 3.120 302 QD TYR 24 QD TYR 24 -18.666 -1.640 4.200 303 QE TYR 24 QE TYR 24 -17.863 -3.384 5.730 304 QR TYR 24 QR TYR 24 -18.264 -2.512 4.965 305 H GLY 25 H GLY 25 -19.553 0.025 0.072 306 1HA GLY 25 1HA GLY 25 -21.218 2.439 0.130 307 2HA GLY 25 2HA GLY 25 -21.017 1.469 -1.330 308 QA GLY 25 QA GLY 25 -21.118 1.954 -0.600 309 H PHE 26 H PHE 26 -20.313 4.066 -1.436 310 HA PHE 26 HA PHE 26 -17.390 3.901 -1.378 311 1HB PHE 26 2HB PHE 26 -17.330 5.441 -3.332 312 2HB PHE 26 1HB PHE 26 -18.105 3.905 -3.674 313 HD1 PHE 26 1HD PHE 26 -18.460 7.486 -3.610 314 HD2 PHE 26 2HD PHE 26 -20.601 3.819 -3.881 315 HE1 PHE 26 1HE PHE 26 -20.395 8.688 -4.531 316 HE2 PHE 26 2HE PHE 26 -22.541 5.012 -4.801 317 HZ PHE 26 HZ PHE 26 -22.439 7.453 -5.132 318 QB PHE 26 QB PHE 26 -17.717 4.673 -3.503 319 QD PHE 26 QD PHE 26 -19.530 5.653 -3.746 320 QE PHE 26 QE PHE 26 -21.468 6.850 -4.666 321 QR PHE 26 QR PHE 26 -20.887 6.492 -4.391 322 H THR 27 H THR 27 -20.124 5.916 -0.512 323 HA THR 27 HA THR 27 -18.323 8.041 0.286 324 HB THR 27 HB THR 27 -20.532 9.097 1.118 325 HG1 THR 27 1HG THR 27 -22.053 7.685 -0.629 326 1HG2 THR 27 3HG2 THR 27 -20.187 8.495 -1.827 327 2HG2 THR 27 2HG2 THR 27 -21.162 9.802 -1.157 328 3HG2 THR 27 1HG2 THR 27 -19.411 9.808 -0.943 329 MG THR 27 QG2 THR 27 -20.253 9.368 -1.309 330 H HIS 28 H HIS 28 -19.122 5.214 1.516 331 HA HIS 28 HA HIS 28 -19.652 5.681 4.270 332 1HB HIS 28 2HB HIS 28 -20.046 3.519 3.068 333 2HB HIS 28 1HB HIS 28 -18.317 3.332 2.872 334 HD1 HIS 28 1HD HIS 28 -21.092 2.627 5.212 335 HD2 HIS 28 2HD HIS 28 -16.943 2.701 5.312 336 HE1 HIS 28 1HE HIS 28 -20.421 1.325 7.245 337 QB HIS 28 QB HIS 28 -19.181 3.425 2.970 338 H HIS 29 H HIS 29 -18.227 6.309 5.852 339 HA HIS 29 HA HIS 29 -15.824 7.493 5.068 340 1HB HIS 29 2HB HIS 29 -16.786 6.920 7.875 341 2HB HIS 29 1HB HIS 29 -15.360 7.874 7.491 342 HD1 HIS 29 1HD HIS 29 -18.275 8.741 8.816 343 HD2 HIS 29 2HD HIS 29 -16.665 9.704 5.111 344 HE1 HIS 29 1HE HIS 29 -19.401 10.869 8.096 345 QB HIS 29 QB HIS 29 -16.073 7.397 7.683 346 H LYS 30 H LYS 30 -16.272 4.373 6.650 347 HA LYS 30 HA LYS 30 -13.504 3.951 6.987 348 1HB LYS 30 2HB LYS 30 -15.760 1.948 6.846 349 2HB LYS 30 1HB LYS 30 -14.089 1.491 7.131 350 1HG LYS 30 2HG LYS 30 -15.752 3.296 8.879 351 2HG LYS 30 1HG LYS 30 -15.346 1.611 9.211 352 1HD LYS 30 2HD LYS 30 -12.934 2.245 9.211 353 2HD LYS 30 1HD LYS 30 -13.412 3.927 8.997 354 1HE LYS 30 2HE LYS 30 -12.928 3.470 11.330 355 2HE LYS 30 1HE LYS 30 -14.633 3.851 11.113 356 1HZ LYS 30 3HZ LYS 30 -15.123 1.467 11.198 357 2HZ LYS 30 2HZ LYS 30 -13.488 1.129 11.414 358 3HZ LYS 30 1HZ LYS 30 -14.318 1.964 12.586 359 QB LYS 30 QB LYS 30 -14.924 1.719 6.988 360 QD LYS 30 QD LYS 30 -13.173 3.086 9.104 361 QG LYS 30 QG LYS 30 -15.549 2.453 9.045 362 QE LYS 30 QE LYS 30 -13.781 3.661 11.222 363 QZ LYS 30 QZ LYS 30 -14.309 1.520 11.733 364 H VAL 31 H VAL 31 -15.599 3.399 4.268 365 HA VAL 31 HA VAL 31 -13.730 1.876 2.774 366 HB VAL 31 HB VAL 31 -16.060 3.582 1.818 367 1HG1 VAL 31 2HG1 VAL 31 -14.442 1.534 0.288 368 2HG1 VAL 31 1HG1 VAL 31 -15.895 2.346 -0.295 369 3HG1 VAL 31 3HG1 VAL 31 -14.428 3.278 0.009 370 1HG2 VAL 31 3HG2 VAL 31 -16.697 1.710 3.236 371 2HG2 VAL 31 2HG2 VAL 31 -17.201 1.438 1.568 372 3HG2 VAL 31 1HG2 VAL 31 -15.785 0.609 2.208 373 MG1 VAL 31 QG1 VAL 31 -14.922 2.386 0.001 374 MG2 VAL 31 QG2 VAL 31 -16.561 1.252 2.337 375 QG VAL 31 QQG VAL 31 -15.741 1.819 1.169 376 H ILE 32 H ILE 32 -14.426 5.295 3.025 377 HA ILE 32 HA ILE 32 -12.514 6.192 1.155 378 HB ILE 32 HB ILE 32 -13.516 7.622 3.648 379 1HG1 ILE 32 2HG1 ILE 32 -14.542 7.756 0.800 380 2HG1 ILE 32 1HG1 ILE 32 -15.322 6.879 2.109 381 1HG2 ILE 32 3HG2 ILE 32 -11.487 8.662 2.728 382 2HG2 ILE 32 2HG2 ILE 32 -12.238 8.736 1.134 383 3HG2 ILE 32 1HG2 ILE 32 -12.895 9.695 2.458 384 1HD1 ILE 32 1HD1 ILE 32 -14.893 9.851 1.974 385 2HD1 ILE 32 3HD1 ILE 32 -16.409 8.999 1.686 386 3HD1 ILE 32 2HD1 ILE 32 -15.680 8.982 3.292 387 MG ILE 32 QG2 ILE 32 -12.207 9.031 2.107 388 MD ILE 32 QD1 ILE 32 -15.660 9.277 2.317 389 QG ILE 32 QG1 ILE 32 -14.932 7.318 1.454 390 H SER 33 H SER 33 -12.335 5.393 4.570 391 HA SER 33 HA SER 33 -9.676 6.205 5.020 392 1HB SER 33 2HB SER 33 -11.326 5.732 6.826 393 2HB SER 33 1HB SER 33 -11.256 4.025 6.414 394 HG SER 33 HG SER 33 -8.808 4.519 6.801 395 QB SER 33 QB SER 33 -11.291 4.878 6.620 396 H PHE 34 H PHE 34 -11.090 3.176 3.835 397 HA PHE 34 HA PHE 34 -8.608 1.780 3.784 398 1HB PHE 34 2HB PHE 34 -11.116 1.207 2.193 399 2HB PHE 34 1HB PHE 34 -9.765 0.099 2.395 400 HD1 PHE 34 1HD PHE 34 -12.859 0.027 3.084 401 HD2 PHE 34 2HD PHE 34 -9.303 0.494 5.353 402 HE1 PHE 34 1HE PHE 34 -14.011 -0.886 5.044 403 HE2 PHE 34 2HE PHE 34 -10.437 -0.422 7.334 404 HZ PHE 34 HZ PHE 34 -12.798 -1.113 7.190 405 QB PHE 34 QB PHE 34 -10.440 0.653 2.294 406 QD PHE 34 QD PHE 34 -11.081 0.261 4.219 407 QE PHE 34 QE PHE 34 -12.224 -0.654 6.189 408 QR PHE 34 QR PHE 34 -11.882 -0.380 5.601 409 H SER 35 H SER 35 -10.314 3.839 1.574 410 HA SER 35 HA SER 35 -8.685 3.394 -0.686 411 1HB SER 35 2HB SER 35 -10.214 5.893 0.108 412 2HB SER 35 1HB SER 35 -9.608 5.531 -1.508 413 HG SER 35 HG SER 35 -11.553 3.992 -0.080 414 QB SER 35 QB SER 35 -9.911 5.712 -0.700 415 H GLN 36 H GLN 36 -8.482 5.578 2.086 416 HA GLN 36 HA GLN 36 -6.166 6.961 1.319 417 1HB GLN 36 2HB GLN 36 -7.160 6.293 4.101 418 2HB GLN 36 1HB GLN 36 -5.875 7.436 3.753 419 1HG GLN 36 2HG GLN 36 -7.463 8.850 2.537 420 2HG GLN 36 1HG GLN 36 -8.747 7.690 2.880 421 1HE2 GLN 36 1HE2 GLN 36 -9.963 9.185 4.018 422 2HE2 GLN 36 2HE2 GLN 36 -9.503 9.763 5.584 423 QB GLN 36 QB GLN 36 -6.517 6.865 3.927 424 QG GLN 36 QG GLN 36 -8.105 8.270 2.708 425 QE GLN 36 QE2 GLN 36 -9.733 9.474 4.801 426 H GLU 37 H GLU 37 -6.654 3.921 2.989 427 HA GLU 37 HA GLU 37 -3.960 3.373 3.586 428 1HB GLU 37 2HB GLU 37 -6.318 1.555 3.191 429 2HB GLU 37 1HB GLU 37 -4.723 0.957 3.630 430 1HG GLU 37 2HG GLU 37 -6.313 2.952 5.208 431 2HG GLU 37 1HG GLU 37 -6.218 1.223 5.554 432 QB GLU 37 QB GLU 37 -5.521 1.256 3.410 433 QG GLU 37 QG GLU 37 -6.265 2.088 5.381 434 H LEU 38 H LEU 38 -5.913 2.595 0.751 435 HA LEU 38 HA LEU 38 -4.049 1.008 -0.623 436 1HB LEU 38 2HB LEU 38 -6.501 1.368 -1.177 437 2HB LEU 38 1HB LEU 38 -6.073 2.930 -1.823 438 HG LEU 38 HG LEU 38 -5.109 0.290 -2.970 439 1HD1 LEU 38 3HD1 LEU 38 -7.383 2.073 -3.779 440 2HD1 LEU 38 2HD1 LEU 38 -6.778 0.735 -4.742 441 3HD1 LEU 38 1HD1 LEU 38 -7.498 0.433 -3.155 442 1HD2 LEU 38 3HD2 LEU 38 -3.672 2.215 -3.564 443 2HD2 LEU 38 2HD2 LEU 38 -4.559 1.609 -4.964 444 3HD2 LEU 38 1HD2 LEU 38 -5.093 3.079 -4.153 445 MD1 LEU 38 QD1 LEU 38 -7.220 1.081 -3.892 446 MD2 LEU 38 QD2 LEU 38 -4.441 2.301 -4.227 447 QB LEU 38 QB LEU 38 -6.287 2.149 -1.500 448 QD LEU 38 QQD LEU 38 -5.831 1.691 -4.060 449 H ASP 39 H ASP 39 -4.710 4.466 -0.823 450 HA ASP 39 HA ASP 39 -2.633 5.208 -2.551 451 1HB ASP 39 2HB ASP 39 -4.408 6.751 -2.161 452 2HB ASP 39 1HB ASP 39 -4.135 6.728 -0.425 453 QB ASP 39 QB ASP 39 -4.271 6.740 -1.293 454 H ARG 40 H ARG 40 -2.730 4.931 0.922 455 HA ARG 40 HA ARG 40 -0.190 5.977 1.504 456 1HB ARG 40 2HB ARG 40 -1.941 5.789 3.164 457 2HB ARG 40 1HB ARG 40 -1.961 4.048 2.993 458 1HG ARG 40 2HG ARG 40 0.089 3.826 4.137 459 2HG ARG 40 1HG ARG 40 0.415 5.564 4.025 460 1HD ARG 40 2HD ARG 40 -1.954 4.392 5.486 461 2HD ARG 40 1HD ARG 40 -0.433 4.830 6.276 462 HE ARG 40 HE ARG 40 -0.859 7.113 5.316 463 1HH1 ARG 40 1HH1 ARG 40 -3.654 5.042 6.158 464 2HH1 ARG 40 2HH1 ARG 40 -4.640 6.371 6.529 465 1HH2 ARG 40 1HH2 ARG 40 -2.241 8.861 5.809 466 2HH2 ARG 40 2HH2 ARG 40 -3.839 8.618 6.326 467 QB ARG 40 QB ARG 40 -1.951 4.918 3.079 468 QG ARG 40 QG ARG 40 0.252 4.695 4.081 469 QD ARG 40 QD ARG 40 -1.193 4.611 5.881 470 QH1 ARG 40 QH1 ARG 40 -4.147 5.706 6.344 471 QH2 ARG 40 QH2 ARG 40 -3.040 8.739 6.067 472 H LEU 41 H LEU 41 -1.263 2.649 0.872 473 HA LEU 41 HA LEU 41 1.268 1.448 1.254 474 1HB LEU 41 2HB LEU 41 -1.057 0.531 -0.444 475 2HB LEU 41 1HB LEU 41 0.353 -0.440 -0.070 476 HG LEU 41 HG LEU 41 -1.675 0.553 1.934 477 1HD1 LEU 41 3HD1 LEU 41 -2.570 -1.167 0.471 478 2HD1 LEU 41 2HD1 LEU 41 -1.185 -2.202 0.817 479 3HD1 LEU 41 1HD1 LEU 41 -2.322 -1.793 2.102 480 1HD2 LEU 41 3HD2 LEU 41 0.709 -1.273 2.268 481 2HD2 LEU 41 2HD2 LEU 41 0.543 0.357 2.928 482 3HD2 LEU 41 1HD2 LEU 41 -0.509 -0.935 3.499 483 MD1 LEU 41 QD1 LEU 41 -2.026 -1.721 1.130 484 MD2 LEU 41 QD2 LEU 41 0.248 -0.617 2.898 485 QB LEU 41 QB LEU 41 -0.352 0.045 -0.257 486 QD LEU 41 QQD LEU 41 -0.889 -1.169 2.014 487 H LEU 42 H LEU 42 -0.356 2.714 -1.600 488 HA LEU 42 HA LEU 42 1.601 2.041 -3.488 489 1HB LEU 42 2HB LEU 42 -0.622 2.788 -4.116 490 2HB LEU 42 1HB LEU 42 -0.317 4.375 -3.438 491 HG LEU 42 HG LEU 42 1.400 4.756 -5.185 492 1HD1 LEU 42 1HD1 LEU 42 0.450 2.115 -6.279 493 2HD1 LEU 42 3HD1 LEU 42 1.526 3.249 -7.095 494 3HD1 LEU 42 2HD1 LEU 42 2.048 2.456 -5.611 495 1HD2 LEU 42 3HD2 LEU 42 -0.900 5.518 -5.512 496 2HD2 LEU 42 2HD2 LEU 42 -0.159 5.038 -7.038 497 3HD2 LEU 42 1HD2 LEU 42 -1.312 3.968 -6.243 498 MD1 LEU 42 QD1 LEU 42 1.341 2.607 -6.328 499 MD2 LEU 42 QD2 LEU 42 -0.790 4.842 -6.264 500 QB LEU 42 QB LEU 42 -0.469 3.581 -3.777 501 QD LEU 42 QQD LEU 42 0.276 3.724 -6.296 502 H ASN 43 H ASN 43 1.257 4.855 -1.439 503 HA ASN 43 HA ASN 43 3.469 6.225 -2.535 504 1HB ASN 43 2HB ASN 43 1.767 6.688 -0.148 505 2HB ASN 43 1HB ASN 43 3.323 7.512 -0.239 506 1HD2 ASN 43 1HD2 ASN 43 0.189 7.145 -1.702 507 2HD2 ASN 43 2HD2 ASN 43 0.251 8.574 -2.652 508 QB ASN 43 QB ASN 43 2.545 7.100 -0.194 509 QD ASN 43 QD2 ASN 43 0.220 7.860 -2.177 510 H LEU 44 H LEU 44 3.320 3.659 -0.323 511 HA LEU 44 HA LEU 44 5.765 4.145 1.010 512 1HB LEU 44 2HB LEU 44 4.365 1.562 0.351 513 2HB LEU 44 1HB LEU 44 5.797 1.644 1.366 514 HG LEU 44 HG LEU 44 3.098 2.864 1.976 515 1HD1 LEU 44 1HD1 LEU 44 4.514 0.487 3.166 516 2HD1 LEU 44 3HD1 LEU 44 2.991 1.168 3.735 517 3HD1 LEU 44 2HD1 LEU 44 3.086 0.437 2.131 518 1HD2 LEU 44 2HD2 LEU 44 5.621 2.747 3.631 519 2HD2 LEU 44 1HD2 LEU 44 4.902 4.200 2.937 520 3HD2 LEU 44 3HD2 LEU 44 4.052 3.310 4.201 521 MD1 LEU 44 QD1 LEU 44 3.530 0.698 3.011 522 MD2 LEU 44 QD2 LEU 44 4.858 3.419 3.590 523 QB LEU 44 QB LEU 44 5.081 1.603 0.858 524 QD LEU 44 QQD LEU 44 4.194 2.058 3.300 525 H LEU 45 H LEU 45 4.947 2.603 -2.055 526 HA LEU 45 HA LEU 45 7.544 1.714 -2.734 527 1HB LEU 45 2HB LEU 45 5.310 2.640 -4.548 528 2HB LEU 45 1HB LEU 45 6.745 1.801 -5.085 529 HG LEU 45 HG LEU 45 4.603 0.647 -3.298 530 1HD1 LEU 45 1HD1 LEU 45 5.262 0.153 -6.200 531 2HD1 LEU 45 3HD1 LEU 45 4.077 -0.741 -5.251 532 3HD1 LEU 45 2HD1 LEU 45 3.834 0.973 -5.576 533 1HD2 LEU 45 1HD2 LEU 45 7.050 -0.633 -4.529 534 2HD2 LEU 45 3HD2 LEU 45 6.783 -0.334 -2.808 535 3HD2 LEU 45 2HD2 LEU 45 5.771 -1.489 -3.676 536 MD1 LEU 45 QD1 LEU 45 4.391 0.128 -5.676 537 MD2 LEU 45 QD2 LEU 45 6.535 -0.819 -3.671 538 QB LEU 45 QB LEU 45 6.027 2.220 -4.816 539 QD LEU 45 QQD LEU 45 5.463 -0.345 -4.673 540 H ILE 46 H ILE 46 5.782 4.660 -3.431 541 HA ILE 46 HA ILE 46 7.763 5.984 -4.877 542 HB ILE 46 HB ILE 46 5.387 7.018 -3.321 543 1HG1 ILE 46 2HG1 ILE 46 4.615 7.767 -5.583 544 2HG1 ILE 46 1HG1 ILE 46 6.057 7.049 -6.278 545 1HG2 ILE 46 2HG2 ILE 46 7.038 8.758 -3.043 546 2HG2 ILE 46 1HG2 ILE 46 7.344 8.783 -4.779 547 3HG2 ILE 46 3HG2 ILE 46 5.773 9.289 -4.154 548 1HD1 ILE 46 1HD1 ILE 46 5.287 4.846 -5.536 549 2HD1 ILE 46 3HD1 ILE 46 3.837 5.586 -4.864 550 3HD1 ILE 46 2HD1 ILE 46 4.127 5.626 -6.604 551 MG ILE 46 QG2 ILE 46 6.718 8.943 -3.992 552 MD ILE 46 QD1 ILE 46 4.417 5.352 -5.668 553 QG ILE 46 QG1 ILE 46 5.336 7.408 -5.931 554 H GLU 47 H GLU 47 7.088 6.094 -1.387 555 HA GLU 47 HA GLU 47 9.095 7.918 -0.750 556 1HB GLU 47 2HB GLU 47 7.781 5.794 0.885 557 2HB GLU 47 1HB GLU 47 9.063 6.799 1.538 558 1HG GLU 47 2HG GLU 47 7.686 8.790 0.987 559 2HG GLU 47 1HG GLU 47 6.379 7.693 0.525 560 QB GLU 47 QB GLU 47 8.422 6.296 1.212 561 QG GLU 47 QG GLU 47 7.032 8.241 0.756 562 H LEU 48 H LEU 48 9.264 4.351 -0.614 563 HA LEU 48 HA LEU 48 11.953 4.419 0.228 564 1HB LEU 48 2HB LEU 48 10.268 2.212 -0.901 565 2HB LEU 48 1HB LEU 48 11.982 1.968 -0.675 566 HG LEU 48 HG LEU 48 10.783 1.015 1.185 567 1HD1 LEU 48 1HD1 LEU 48 12.944 1.978 1.678 568 2HD1 LEU 48 3HD1 LEU 48 12.185 3.531 2.052 569 3HD1 LEU 48 2HD1 LEU 48 11.845 2.119 3.047 570 1HD2 LEU 48 3HD2 LEU 48 8.745 2.370 1.129 571 2HD2 LEU 48 2HD2 LEU 48 9.454 2.363 2.745 572 3HD2 LEU 48 1HD2 LEU 48 9.656 3.768 1.697 573 MD1 LEU 48 QD1 LEU 48 12.324 2.543 2.259 574 MD2 LEU 48 QD2 LEU 48 9.285 2.834 1.857 575 QB LEU 48 QB LEU 48 11.125 2.090 -0.788 576 QD LEU 48 QQD LEU 48 10.805 2.688 2.058 577 H LYS 49 H LYS 49 10.555 4.416 -2.919 578 HA LYS 49 HA LYS 49 12.884 3.959 -4.453 579 1HB LYS 49 2HB LYS 49 10.541 3.875 -5.276 580 2HB LYS 49 1HB LYS 49 10.437 5.611 -5.079 581 1HG LYS 49 2HG LYS 49 12.232 5.857 -6.768 582 2HG LYS 49 1HG LYS 49 12.175 4.110 -7.028 583 1HD LYS 49 2HD LYS 49 9.739 4.331 -7.540 584 2HD LYS 49 1HD LYS 49 9.926 6.079 -7.444 585 1HE LYS 49 2HE LYS 49 9.998 5.417 -9.751 586 2HE LYS 49 1HE LYS 49 11.608 5.941 -9.264 587 1HZ LYS 49 3HZ LYS 49 10.712 3.113 -9.426 588 2HZ LYS 49 2HZ LYS 49 11.671 3.894 -10.573 589 3HZ LYS 49 1HZ LYS 49 12.259 3.636 -9.035 590 QB LYS 49 QB LYS 49 10.489 4.743 -5.178 591 QD LYS 49 QD LYS 49 9.833 5.205 -7.492 592 QG LYS 49 QG LYS 49 12.204 4.983 -6.898 593 QE LYS 49 QE LYS 49 10.803 5.679 -9.507 594 QZ LYS 49 QZ LYS 49 11.548 3.548 -9.678 595 H THR 50 H THR 50 11.282 6.926 -3.351 596 HA THR 50 HA THR 50 13.175 8.636 -4.621 597 HB THR 50 HB THR 50 11.038 9.393 -2.611 598 HG1 THR 50 1HG THR 50 10.035 8.331 -4.249 599 1HG2 THR 50 1HG2 THR 50 12.695 11.158 -3.122 600 2HG2 THR 50 3HG2 THR 50 12.363 10.952 -4.842 601 3HG2 THR 50 2HG2 THR 50 11.102 11.557 -3.767 602 MG THR 50 QG2 THR 50 12.054 11.223 -3.911 603 H LYS 51 H LYS 51 12.587 7.651 -1.200 604 HA LYS 51 HA LYS 51 14.548 9.422 -0.172 605 1HB LYS 51 2HB LYS 51 13.249 6.971 1.044 606 2HB LYS 51 1HB LYS 51 14.297 8.085 1.910 607 1HG LYS 51 2HG LYS 51 12.697 9.893 1.542 608 2HG LYS 51 1HG LYS 51 11.673 8.775 0.633 609 1HD LYS 51 2HD LYS 51 11.281 7.437 2.584 610 2HD LYS 51 1HD LYS 51 12.454 8.371 3.511 611 1HE LYS 51 2HE LYS 51 11.052 10.350 3.350 612 2HE LYS 51 1HE LYS 51 9.912 9.476 2.329 613 1HZ LYS 51 1HZ LYS 51 10.536 8.567 5.079 614 2HZ LYS 51 3HZ LYS 51 9.365 9.723 4.753 615 3HZ LYS 51 2HZ LYS 51 9.154 8.223 4.106 616 QB LYS 51 QB LYS 51 13.773 7.528 1.477 617 QD LYS 51 QD LYS 51 11.868 7.904 3.047 618 QG LYS 51 QG LYS 51 12.185 9.334 1.088 619 QE LYS 51 QE LYS 51 10.482 9.913 2.839 620 QZ LYS 51 QZ LYS 51 9.685 8.838 4.646 621 H LYS 52 H LYS 52 14.413 5.988 -0.982 622 HA LYS 52 HA LYS 52 15.917 4.317 -1.049 623 1HB LYS 52 2HB LYS 52 17.707 4.669 -2.709 624 2HB LYS 52 1HB LYS 52 16.132 5.222 -3.254 625 1HG LYS 52 2HG LYS 52 16.725 7.481 -2.915 626 2HG LYS 52 1HG LYS 52 18.224 7.034 -2.099 627 1HD LYS 52 2HD LYS 52 17.553 6.301 -4.950 628 2HD LYS 52 1HD LYS 52 18.449 7.784 -4.554 629 1HE LYS 52 2HE LYS 52 19.265 4.914 -4.026 630 2HE LYS 52 1HE LYS 52 19.939 5.988 -5.242 631 1HZ LYS 52 1HZ LYS 52 20.794 7.408 -3.442 632 2HZ LYS 52 3HZ LYS 52 20.150 6.357 -2.297 633 3HZ LYS 52 2HZ LYS 52 21.356 5.825 -3.307 634 QB LYS 52 QB LYS 52 16.919 4.945 -2.982 635 QD LYS 52 QD LYS 52 18.001 7.042 -4.752 636 QG LYS 52 QG LYS 52 17.475 7.257 -2.507 637 QE LYS 52 QE LYS 52 19.602 5.451 -4.634 638 QZ LYS 52 QZ LYS 52 20.766 6.530 -3.015 639 H LYS 53 H LYS 53 16.292 5.740 1.282 640 HA LYS 53 HA LYS 53 19.169 5.781 1.619 641 1HB LYS 53 2HB LYS 53 18.692 7.024 3.670 642 2HB LYS 53 1HB LYS 53 18.041 7.724 2.176 643 1HG LYS 53 2HG LYS 53 15.811 6.949 2.711 644 2HG LYS 53 1HG LYS 53 16.396 6.161 4.179 645 1HD LYS 53 2HD LYS 53 16.496 9.129 3.614 646 2HD LYS 53 1HD LYS 53 15.303 8.330 4.632 647 1HE LYS 53 2HE LYS 53 17.030 7.667 6.199 648 2HE LYS 53 1HE LYS 53 18.284 8.295 5.134 649 1HZ LYS 53 1HZ LYS 53 16.180 9.919 6.444 650 2HZ LYS 53 3HZ LYS 53 17.795 9.823 6.924 651 3HZ LYS 53 2HZ LYS 53 17.403 10.499 5.437 652 QB LYS 53 QB LYS 53 18.367 7.374 2.923 653 QD LYS 53 QD LYS 53 15.899 8.729 4.123 654 QG LYS 53 QG LYS 53 16.104 6.555 3.445 655 QE LYS 53 QE LYS 53 17.657 7.981 5.667 656 QZ LYS 53 QZ LYS 53 17.126 10.080 6.268 657 H ARG 54 H ARG 54 16.637 3.705 2.106 658 HA ARG 54 HA ARG 54 17.859 2.498 4.438 659 1HB ARG 54 2HB ARG 54 15.331 1.802 2.951 660 2HB ARG 54 1HB ARG 54 15.997 0.789 4.226 661 1HG ARG 54 2HG ARG 54 15.904 2.788 5.737 662 2HG ARG 54 1HG ARG 54 15.012 3.616 4.463 663 1HD ARG 54 2HD ARG 54 13.248 1.975 4.570 664 2HD ARG 54 1HD ARG 54 14.173 1.010 5.717 665 HE ARG 54 HE ARG 54 13.559 3.731 6.494 666 1HH1 ARG 54 1HH1 ARG 54 12.639 0.323 6.712 667 2HH1 ARG 54 2HH1 ARG 54 11.785 0.502 8.178 668 1HH2 ARG 54 1HH2 ARG 54 12.417 3.969 8.513 669 2HH2 ARG 54 2HH2 ARG 54 11.657 2.627 9.217 670 QB ARG 54 QB ARG 54 15.664 1.295 3.589 671 QG ARG 54 QG ARG 54 15.458 3.202 5.100 672 QD ARG 54 QD ARG 54 13.710 1.493 5.144 673 QH1 ARG 54 QH1 ARG 54 12.212 0.413 7.445 674 QH2 ARG 54 QH2 ARG 54 12.037 3.298 8.865 675 H TYR 55 H TYR 55 18.493 0.319 4.480 676 HA TYR 55 HA TYR 55 20.570 0.062 2.707 677 1HB TYR 55 2HB TYR 55 19.479 -1.917 4.671 678 2HB TYR 55 1HB TYR 55 20.931 -2.214 3.717 679 HD1 TYR 55 1HD TYR 55 22.930 -0.796 4.030 680 HD2 TYR 55 2HD TYR 55 19.517 -0.393 6.533 681 HE1 TYR 55 1HE TYR 55 24.275 0.455 5.662 682 HE2 TYR 55 2HE TYR 55 20.849 0.858 8.161 683 HH TYR 55 HH TYR 55 23.183 1.018 8.778 684 QB TYR 55 QB TYR 55 20.205 -2.065 4.194 685 QD TYR 55 QD TYR 55 21.223 -0.595 5.281 686 QE TYR 55 QE TYR 55 22.562 0.657 6.911 687 QR TYR 55 QR TYR 55 21.893 0.031 6.096 688 H SER 56 H SER 56 17.404 -1.180 2.214 689 HA SER 56 HA SER 56 17.979 -3.286 0.439 690 1HB SER 56 2HB SER 56 15.615 -1.396 0.397 691 2HB SER 56 1HB SER 56 15.684 -2.999 -0.343 692 HG SER 56 HG SER 56 16.232 -3.681 1.920 693 QB SER 56 QB SER 56 15.650 -2.198 0.027 694 H LEU 57 H LEU 57 18.161 0.156 0.032 695 HA LEU 57 HA LEU 57 18.311 -0.076 -2.883 696 1HB LEU 57 2HB LEU 57 17.957 2.270 -1.040 697 2HB LEU 57 1HB LEU 57 18.439 2.494 -2.699 698 HG LEU 57 HG LEU 57 16.086 2.927 -2.438 699 1HD1 LEU 57 3HD1 LEU 57 16.596 0.437 -4.008 700 2HD1 LEU 57 2HD1 LEU 57 15.161 1.459 -4.131 701 3HD1 LEU 57 1HD1 LEU 57 16.747 2.119 -4.527 702 1HD2 LEU 57 2HD2 LEU 57 15.803 0.081 -1.473 703 2HD2 LEU 57 1HD2 LEU 57 15.569 1.536 -0.505 704 3HD2 LEU 57 3HD2 LEU 57 14.468 1.176 -1.837 705 MD1 LEU 57 QD1 LEU 57 16.168 1.338 -4.222 706 MD2 LEU 57 QD2 LEU 57 15.280 0.931 -1.272 707 QB LEU 57 QB LEU 57 18.198 2.382 -1.869 708 QD LEU 57 QQD LEU 57 15.724 1.135 -2.747 709 H LEU 58 H LEU 58 20.385 -0.353 -0.398 710 HA LEU 58 HA LEU 58 22.533 1.061 -1.805 711 1HB LEU 58 2HB LEU 58 22.239 0.413 1.128 712 2HB LEU 58 1HB LEU 58 23.776 0.832 0.423 713 HG LEU 58 HG LEU 58 22.821 3.074 -0.183 714 1HD1 LEU 58 3HD1 LEU 58 20.504 2.185 1.514 715 2HD1 LEU 58 2HD1 LEU 58 20.795 3.823 0.938 716 3HD1 LEU 58 1HD1 LEU 58 20.465 2.527 -0.214 717 1HD2 LEU 58 2HD2 LEU 58 24.188 2.772 1.790 718 2HD2 LEU 58 1HD2 LEU 58 22.917 3.960 2.090 719 3HD2 LEU 58 3HD2 LEU 58 22.765 2.321 2.728 720 MD1 LEU 58 QD1 LEU 58 20.588 2.845 0.746 721 MD2 LEU 58 QD2 LEU 58 23.290 3.018 2.203 722 QB LEU 58 QB LEU 58 23.007 0.623 0.776 723 QD LEU 58 QQD LEU 58 21.939 2.932 1.475 724 H GLU 59 H GLU 59 21.910 -1.796 0.234 725 HA GLU 59 HA GLU 59 23.866 -3.283 -1.329 726 1HB GLU 59 2HB GLU 59 23.788 -3.194 1.700 727 2HB GLU 59 1HB GLU 59 24.928 -4.088 0.704 728 1HG GLU 59 2HG GLU 59 25.818 -1.971 -0.135 729 2HG GLU 59 1HG GLU 59 24.684 -1.115 0.904 730 QB GLU 59 QB GLU 59 24.358 -3.641 1.202 731 QG GLU 59 QG GLU 59 25.251 -1.543 0.385 732 H HIS 60 H HIS 60 23.703 -5.493 0.377 733 HA HIS 60 HA HIS 60 20.879 -6.244 0.121 734 1HB HIS 60 2HB HIS 60 23.324 -8.005 0.475 735 2HB HIS 60 1HB HIS 60 21.675 -8.580 0.359 736 HD1 HIS 60 1HD HIS 60 24.548 -8.610 -1.595 737 HD2 HIS 60 2HD HIS 60 20.623 -7.450 -2.353 738 HE1 HIS 60 1HE HIS 60 24.232 -8.805 -4.073 739 QB HIS 60 QB HIS 60 22.500 -8.293 0.417 740 H HIS 61 H HIS 61 20.010 -5.547 2.147 741 HA HIS 61 HA HIS 61 21.552 -6.436 4.387 742 1HB HIS 61 2HB HIS 61 19.920 -5.476 5.938 743 2HB HIS 61 1HB HIS 61 20.240 -4.292 4.697 744 HD1 HIS 61 1HD HIS 61 17.551 -6.483 6.113 745 HD2 HIS 61 2HD HIS 61 18.007 -3.544 3.221 746 HE1 HIS 61 1HE HIS 61 15.227 -5.723 5.529 747 QB HIS 61 QB HIS 61 20.080 -4.884 5.318 748 H HIS 62 H HIS 62 21.713 -8.351 4.731 749 HA HIS 62 HA HIS 62 20.375 -10.316 3.390 750 1HB HIS 62 2HB HIS 62 21.948 -10.607 5.943 751 2HB HIS 62 1HB HIS 62 21.464 -11.942 4.901 752 HD1 HIS 62 1HD HIS 62 22.381 -11.433 2.213 753 HD2 HIS 62 2HD HIS 62 24.436 -9.782 5.425 754 HE1 HIS 62 1HE HIS 62 24.674 -10.861 1.358 755 QB HIS 62 QB HIS 62 21.706 -11.274 5.422 756 H HIS 63 H HIS 63 18.427 -10.812 3.418 757 HA HIS 63 HA HIS 63 17.033 -11.463 5.865 758 1HB HIS 63 2HB HIS 63 16.443 -9.100 5.388 759 2HB HIS 63 1HB HIS 63 16.045 -9.525 3.731 760 HD1 HIS 63 1HD HIS 63 13.645 -10.166 3.294 761 HD2 HIS 63 2HD HIS 63 14.613 -10.243 7.332 762 HE1 HIS 63 1HE HIS 63 11.494 -10.580 4.512 763 QB HIS 63 QB HIS 63 16.244 -9.313 4.560 764 H HIS 64 H HIS 64 15.182 -12.909 5.316 765 HA HIS 64 HA HIS 64 15.836 -14.466 2.994 766 1HB HIS 64 2HB HIS 64 13.989 -15.002 5.321 767 2HB HIS 64 1HB HIS 64 14.426 -16.142 4.060 768 HD1 HIS 64 1HD HIS 64 16.696 -17.391 4.345 769 HD2 HIS 64 2HD HIS 64 16.049 -14.422 7.174 770 HE1 HIS 64 1HE HIS 64 18.495 -17.659 6.059 771 QB HIS 64 QB HIS 64 14.208 -15.572 4.690 No H/Q in entry = 771 Start of MODEL 5 1 H1 MET 1 1HT MET 1 13.469 -8.411 1.026 2 H2 MET 1 3HT MET 1 12.602 -7.111 1.662 3 H3 MET 1 2HT MET 1 12.529 -8.636 2.418 4 HA MET 1 HA MET 1 11.516 -9.550 0.476 5 1HB MET 1 2HB MET 1 9.303 -8.459 0.692 6 2HB MET 1 1HB MET 1 10.034 -8.746 2.261 7 1HG MET 1 2HG MET 1 10.676 -6.386 2.397 8 2HG MET 1 1HG MET 1 9.974 -6.103 0.811 9 1HE MET 1 2HE MET 1 7.455 -6.156 0.268 10 2HE MET 1 1HE MET 1 7.282 -7.800 0.872 11 3HE MET 1 3HE MET 1 6.171 -6.539 1.410 12 QB MET 1 QB MET 1 9.669 -8.602 1.476 13 QG MET 1 QG MET 1 10.325 -6.245 1.604 14 ME MET 1 QE MET 1 6.970 -6.832 0.850 15 H ASN 2 H ASN 2 10.896 -9.374 -1.578 16 HA ASN 2 HA ASN 2 12.250 -7.470 -3.198 17 1HB ASN 2 2HB ASN 2 11.844 -9.836 -3.845 18 2HB ASN 2 1HB ASN 2 10.124 -9.518 -3.897 19 1HD2 ASN 2 1HD2 ASN 2 11.946 -10.496 -5.927 20 2HD2 ASN 2 2HD2 ASN 2 11.791 -9.434 -7.285 21 QB ASN 2 QB ASN 2 10.984 -9.677 -3.871 22 QD ASN 2 QD2 ASN 2 11.868 -9.965 -6.606 23 H VAL 3 H VAL 3 11.415 -5.754 -4.285 24 HA VAL 3 HA VAL 3 9.332 -4.365 -3.052 25 HB VAL 3 HB VAL 3 9.624 -2.658 -4.785 26 1HG1 VAL 3 2HG1 VAL 3 12.190 -3.804 -3.678 27 2HG1 VAL 3 1HG1 VAL 3 11.990 -2.154 -4.275 28 3HG1 VAL 3 3HG1 VAL 3 11.103 -2.693 -2.850 29 1HG2 VAL 3 1HG2 VAL 3 10.027 -4.096 -6.711 30 2HG2 VAL 3 3HG2 VAL 3 11.347 -2.943 -6.520 31 3HG2 VAL 3 2HG2 VAL 3 11.565 -4.622 -6.024 32 MG1 VAL 3 QG1 VAL 3 11.761 -2.884 -3.601 33 MG2 VAL 3 QG2 VAL 3 10.980 -3.887 -6.418 34 QG VAL 3 QQG VAL 3 11.370 -3.385 -5.010 35 H THR 4 H THR 4 9.262 -6.501 -5.816 36 HA THR 4 HA THR 4 6.791 -5.610 -6.844 37 HB THR 4 HB THR 4 8.308 -7.137 -8.142 38 HG1 THR 4 1HG THR 4 6.378 -7.178 -9.035 39 1HG2 THR 4 3HG2 THR 4 7.251 -9.265 -6.279 40 2HG2 THR 4 2HG2 THR 4 8.224 -9.565 -7.721 41 3HG2 THR 4 1HG2 THR 4 8.918 -8.690 -6.350 42 MG THR 4 QG2 THR 4 8.131 -9.173 -6.783 43 H LYS 5 H LYS 5 7.603 -7.497 -4.101 44 HA LYS 5 HA LYS 5 4.993 -8.622 -3.754 45 1HB LYS 5 2HB LYS 5 7.317 -8.461 -1.829 46 2HB LYS 5 1HB LYS 5 5.841 -9.378 -1.558 47 1HG LYS 5 2HG LYS 5 7.771 -9.849 -3.830 48 2HG LYS 5 1HG LYS 5 7.716 -10.783 -2.336 49 1HD LYS 5 2HD LYS 5 5.436 -11.498 -2.859 50 2HD LYS 5 1HD LYS 5 5.453 -10.520 -4.324 51 1HE LYS 5 2HE LYS 5 7.230 -11.864 -5.254 52 2HE LYS 5 1HE LYS 5 7.351 -12.794 -3.766 53 1HZ LYS 5 1HZ LYS 5 4.963 -12.699 -5.526 54 2HZ LYS 5 3HZ LYS 5 6.092 -13.941 -5.489 55 3HZ LYS 5 2HZ LYS 5 5.133 -13.641 -4.139 56 QB LYS 5 QB LYS 5 6.579 -8.919 -1.694 57 QD LYS 5 QD LYS 5 5.445 -11.009 -3.591 58 QG LYS 5 QG LYS 5 7.743 -10.316 -3.083 59 QE LYS 5 QE LYS 5 7.290 -12.329 -4.510 60 QZ LYS 5 QZ LYS 5 5.396 -13.427 -5.051 61 H LEU 6 H LEU 6 6.610 -5.711 -2.778 62 HA LEU 6 HA LEU 6 4.670 -4.950 -0.821 63 1HB LEU 6 2HB LEU 6 6.996 -3.947 -1.054 64 2HB LEU 6 1HB LEU 6 6.413 -3.157 -2.507 65 HG LEU 6 HG LEU 6 4.773 -1.873 -1.140 66 1HD1 LEU 6 1HD1 LEU 6 6.125 -3.199 1.191 67 2HD1 LEU 6 3HD1 LEU 6 4.967 -1.872 1.277 68 3HD1 LEU 6 2HD1 LEU 6 4.458 -3.443 0.665 69 1HD2 LEU 6 1HD2 LEU 6 6.981 -0.934 -1.664 70 2HD2 LEU 6 3HD2 LEU 6 6.399 -0.402 -0.089 71 3HD2 LEU 6 2HD2 LEU 6 7.632 -1.657 -0.195 72 MD1 LEU 6 QD1 LEU 6 5.183 -2.838 1.044 73 MD2 LEU 6 QD2 LEU 6 7.004 -0.997 -0.650 74 QB LEU 6 QB LEU 6 6.705 -3.552 -1.780 75 QD LEU 6 QQD LEU 6 6.094 -1.918 0.197 76 H ASN 7 H ASN 7 5.151 -4.468 -4.256 77 HA ASN 7 HA ASN 7 2.889 -2.884 -4.737 78 1HB ASN 7 2HB ASN 7 4.813 -3.085 -6.309 79 2HB ASN 7 1HB ASN 7 4.355 -4.745 -6.637 80 1HD2 ASN 7 1HD2 ASN 7 2.053 -2.065 -6.326 81 2HD2 ASN 7 2HD2 ASN 7 1.548 -2.106 -7.962 82 QB ASN 7 QB ASN 7 4.584 -3.915 -6.473 83 QD ASN 7 QD2 ASN 7 1.800 -2.085 -7.144 84 H ASP 8 H ASP 8 3.428 -6.317 -4.526 85 HA ASP 8 HA ASP 8 0.913 -7.247 -5.443 86 1HB ASP 8 2HB ASP 8 2.898 -8.717 -5.184 87 2HB ASP 8 1HB ASP 8 2.794 -8.519 -3.439 88 QB ASP 8 QB ASP 8 2.846 -8.618 -4.311 89 H ARG 9 H ARG 9 2.121 -6.315 -2.261 90 HA ARG 9 HA ARG 9 -0.145 -6.898 -0.708 91 1HB ARG 9 2HB ARG 9 1.801 -4.606 -0.405 92 2HB ARG 9 1HB ARG 9 0.601 -5.040 0.795 93 1HG ARG 9 2HG ARG 9 2.892 -6.764 -0.116 94 2HG ARG 9 1HG ARG 9 2.828 -5.831 1.381 95 1HD ARG 9 2HD ARG 9 0.766 -7.170 1.976 96 2HD ARG 9 1HD ARG 9 1.142 -8.198 0.592 97 HE ARG 9 HE ARG 9 3.427 -7.962 2.132 98 1HH1 ARG 9 1HH1 ARG 9 0.201 -9.456 2.429 99 2HH1 ARG 9 2HH1 ARG 9 0.679 -10.586 3.587 100 1HH2 ARG 9 1HH2 ARG 9 4.086 -9.530 3.707 101 2HH2 ARG 9 2HH2 ARG 9 2.976 -10.639 4.352 102 QB ARG 9 QB ARG 9 1.201 -4.823 0.195 103 QG ARG 9 QG ARG 9 2.860 -6.298 0.632 104 QD ARG 9 QD ARG 9 0.954 -7.684 1.284 105 QH1 ARG 9 QH1 ARG 9 0.440 -10.021 3.008 106 QH2 ARG 9 QH2 ARG 9 3.531 -10.084 4.029 107 H ILE 10 H ILE 10 0.650 -4.108 -2.663 108 HA ILE 10 HA ILE 10 -1.582 -2.498 -2.089 109 HB ILE 10 HB ILE 10 0.018 -2.690 -4.664 110 1HG1 ILE 10 2HG1 ILE 10 0.295 -0.771 -2.352 111 2HG1 ILE 10 1HG1 ILE 10 1.343 -2.156 -2.644 112 1HG2 ILE 10 1HG2 ILE 10 -2.140 -1.564 -5.049 113 2HG2 ILE 10 3HG2 ILE 10 -1.808 -0.464 -3.712 114 3HG2 ILE 10 2HG2 ILE 10 -0.810 -0.423 -5.163 115 1HD1 ILE 10 2HD1 ILE 10 1.010 0.213 -4.460 116 2HD1 ILE 10 1HD1 ILE 10 2.355 -0.078 -3.350 117 3HD1 ILE 10 3HD1 ILE 10 2.093 -1.155 -4.717 118 MG ILE 10 QG2 ILE 10 -1.586 -0.817 -4.641 119 MD ILE 10 QD1 ILE 10 1.819 -0.340 -4.176 120 QG ILE 10 QG1 ILE 10 0.819 -1.463 -2.498 121 H GLU 11 H GLU 11 -0.969 -4.841 -4.664 122 HA GLU 11 HA GLU 11 -3.352 -4.651 -6.067 123 1HB GLU 11 2HB GLU 11 -1.406 -5.926 -6.859 124 2HB GLU 11 1HB GLU 11 -1.686 -7.115 -5.613 125 1HG GLU 11 2HG GLU 11 -3.796 -7.747 -6.586 126 2HG GLU 11 1HG GLU 11 -3.644 -6.475 -7.796 127 QB GLU 11 QB GLU 11 -1.546 -6.521 -6.236 128 QG GLU 11 QG GLU 11 -3.720 -7.111 -7.191 129 H ALA 12 H ALA 12 -2.540 -6.865 -3.453 130 HA ALA 12 HA ALA 12 -4.985 -8.186 -3.281 131 1HB ALA 12 3HB ALA 12 -2.923 -8.937 -2.197 132 2HB ALA 12 1HB ALA 12 -4.268 -8.863 -1.054 133 3HB ALA 12 2HB ALA 12 -3.038 -7.595 -1.061 134 MB ALA 12 QB ALA 12 -3.410 -8.465 -1.437 135 H LYS 13 H LYS 13 -3.963 -5.117 -1.978 136 HA LYS 13 HA LYS 13 -6.275 -4.905 -0.311 137 1HB LYS 13 2HB LYS 13 -4.197 -3.905 0.465 138 2HB LYS 13 1HB LYS 13 -4.158 -2.838 -0.925 139 1HG LYS 13 2HG LYS 13 -6.065 -1.621 -0.157 140 2HG LYS 13 1HG LYS 13 -6.386 -2.809 1.104 141 1HD LYS 13 2HD LYS 13 -3.877 -1.146 0.973 142 2HD LYS 13 1HD LYS 13 -5.312 -0.684 1.885 143 1HE LYS 13 2HE LYS 13 -3.740 -3.237 2.302 144 2HE LYS 13 1HE LYS 13 -3.600 -1.787 3.279 145 1HZ LYS 13 1HZ LYS 13 -6.165 -3.326 3.005 146 2HZ LYS 13 3HZ LYS 13 -5.036 -3.498 4.234 147 3HZ LYS 13 2HZ LYS 13 -5.825 -2.046 4.064 148 QB LYS 13 QB LYS 13 -4.177 -3.371 -0.230 149 QD LYS 13 QD LYS 13 -4.595 -0.915 1.429 150 QG LYS 13 QG LYS 13 -6.225 -2.215 0.474 151 QE LYS 13 QE LYS 13 -3.670 -2.512 2.790 152 QZ LYS 13 QZ LYS 13 -5.675 -2.956 3.768 153 H LYS 14 H LYS 14 -5.339 -3.861 -3.466 154 HA LYS 14 HA LYS 14 -7.401 -2.002 -3.971 155 1HB LYS 14 2HB LYS 14 -6.129 -3.933 -5.926 156 2HB LYS 14 1HB LYS 14 -7.039 -2.490 -6.347 157 1HG LYS 14 2HG LYS 14 -5.352 -1.086 -5.373 158 2HG LYS 14 1HG LYS 14 -4.466 -2.496 -4.789 159 1HD LYS 14 2HD LYS 14 -3.364 -1.732 -6.742 160 2HD LYS 14 1HD LYS 14 -4.236 -3.202 -7.165 161 1HE LYS 14 2HE LYS 14 -6.059 -1.842 -8.108 162 2HE LYS 14 1HE LYS 14 -5.157 -0.393 -7.649 163 1HZ LYS 14 1HZ LYS 14 -3.415 -1.035 -9.186 164 2HZ LYS 14 3HZ LYS 14 -4.254 -2.432 -9.605 165 3HZ LYS 14 2HZ LYS 14 -4.875 -0.926 -9.999 166 QB LYS 14 QB LYS 14 -6.584 -3.212 -6.136 167 QD LYS 14 QD LYS 14 -3.800 -2.467 -6.954 168 QG LYS 14 QG LYS 14 -4.909 -1.791 -5.081 169 QE LYS 14 QE LYS 14 -5.608 -1.118 -7.878 170 QZ LYS 14 QZ LYS 14 -4.182 -1.464 -9.596 171 H LYS 15 H LYS 15 -7.212 -5.493 -4.315 172 HA LYS 15 HA LYS 15 -9.799 -5.938 -5.428 173 1HB LYS 15 2HB LYS 15 -8.410 -7.876 -3.582 174 2HB LYS 15 1HB LYS 15 -9.488 -8.235 -4.917 175 1HG LYS 15 2HG LYS 15 -6.665 -7.204 -5.121 176 2HG LYS 15 1HG LYS 15 -7.198 -8.845 -5.433 177 1HD LYS 15 2HD LYS 15 -8.032 -6.402 -7.005 178 2HD LYS 15 1HD LYS 15 -6.780 -7.547 -7.474 179 1HE LYS 15 2HE LYS 15 -8.501 -9.340 -7.478 180 2HE LYS 15 1HE LYS 15 -9.720 -8.108 -7.149 181 1HZ LYS 15 1HZ LYS 15 -9.062 -7.013 -9.255 182 2HZ LYS 15 3HZ LYS 15 -7.989 -8.296 -9.545 183 3HZ LYS 15 2HZ LYS 15 -9.638 -8.584 -9.466 184 QB LYS 15 QB LYS 15 -8.949 -8.056 -4.250 185 QD LYS 15 QD LYS 15 -7.406 -6.974 -7.240 186 QG LYS 15 QG LYS 15 -6.932 -8.025 -5.277 187 QE LYS 15 QE LYS 15 -9.111 -8.724 -7.314 188 QZ LYS 15 QZ LYS 15 -8.896 -7.964 -9.422 189 H GLU 16 H GLU 16 -8.491 -5.901 -2.213 190 HA GLU 16 HA GLU 16 -10.649 -6.590 -0.618 191 1HB GLU 16 2HB GLU 16 -8.359 -6.458 0.160 192 2HB GLU 16 1HB GLU 16 -8.318 -4.742 -0.179 193 1HG GLU 16 2HG GLU 16 -9.920 -4.340 1.596 194 2HG GLU 16 1HG GLU 16 -9.988 -6.070 1.935 195 QB GLU 16 QB GLU 16 -8.339 -5.600 -0.009 196 QG GLU 16 QG GLU 16 -9.954 -5.205 1.765 197 H LEU 17 H LEU 17 -9.504 -3.377 -1.613 198 HA LEU 17 HA LEU 17 -11.489 -1.918 -0.336 199 1HB LEU 17 2HB LEU 17 -9.429 -0.905 -1.118 200 2HB LEU 17 1HB LEU 17 -9.887 -1.195 -2.784 201 HG LEU 17 HG LEU 17 -11.726 0.413 -2.581 202 1HD1 LEU 17 1HD1 LEU 17 -10.704 0.839 0.215 203 2HD1 LEU 17 3HD1 LEU 17 -11.921 1.825 -0.590 204 3HD1 LEU 17 2HD1 LEU 17 -12.260 0.129 -0.226 205 1HD2 LEU 17 1HD2 LEU 17 -9.094 1.488 -1.613 206 2HD2 LEU 17 3HD2 LEU 17 -9.546 1.220 -3.301 207 3HD2 LEU 17 2HD2 LEU 17 -10.393 2.436 -2.335 208 MD1 LEU 17 QD1 LEU 17 -11.628 0.931 -0.200 209 MD2 LEU 17 QD2 LEU 17 -9.678 1.714 -2.417 210 QB LEU 17 QB LEU 17 -9.658 -1.050 -1.951 211 QD LEU 17 QQD LEU 17 -10.653 1.323 -1.308 212 H ILE 18 H ILE 18 -11.427 -3.243 -3.617 213 HA ILE 18 HA ILE 18 -13.841 -2.093 -4.488 214 HB ILE 18 HB ILE 18 -12.725 -4.813 -5.287 215 1HG1 ILE 18 2HG1 ILE 18 -12.422 -2.112 -6.627 216 2HG1 ILE 18 1HG1 ILE 18 -11.170 -2.916 -5.688 217 1HG2 ILE 18 3HG2 ILE 18 -14.764 -3.054 -6.669 218 2HG2 ILE 18 2HG2 ILE 18 -14.084 -4.537 -7.333 219 3HG2 ILE 18 1HG2 ILE 18 -15.089 -4.599 -5.883 220 1HD1 ILE 18 1HD1 ILE 18 -11.120 -4.727 -7.331 221 2HD1 ILE 18 3HD1 ILE 18 -12.371 -3.905 -8.266 222 3HD1 ILE 18 2HD1 ILE 18 -10.786 -3.161 -8.070 223 MG ILE 18 QG2 ILE 18 -14.645 -4.063 -6.628 224 MD ILE 18 QD1 ILE 18 -11.426 -3.931 -7.889 225 QG ILE 18 QG1 ILE 18 -11.796 -2.514 -6.157 226 H TYR 19 H TYR 19 -13.223 -5.148 -2.842 227 HA TYR 19 HA TYR 19 -15.834 -6.127 -2.640 228 1HB TYR 19 2HB TYR 19 -14.015 -7.583 -2.071 229 2HB TYR 19 1HB TYR 19 -13.402 -6.459 -0.871 230 HD1 TYR 19 1HD TYR 19 -16.199 -8.785 -1.606 231 HD2 TYR 19 2HD TYR 19 -14.106 -6.596 1.378 232 HE1 TYR 19 1HE TYR 19 -17.449 -9.967 0.139 233 HE2 TYR 19 2HE TYR 19 -15.352 -7.776 3.133 234 HH TYR 19 HH TYR 19 -17.164 -10.535 2.507 235 QB TYR 19 QB TYR 19 -13.708 -7.021 -1.471 236 QD TYR 19 QD TYR 19 -15.153 -7.690 -0.114 237 QE TYR 19 QE TYR 19 -16.400 -8.872 1.636 238 QR TYR 19 QR TYR 19 -15.777 -8.281 0.761 239 H LEU 20 H LEU 20 -14.023 -4.013 -0.517 240 HA LEU 20 HA LEU 20 -16.006 -3.771 1.458 241 1HB LEU 20 2HB LEU 20 -13.594 -2.090 0.838 242 2HB LEU 20 1HB LEU 20 -14.595 -1.868 2.263 243 HG LEU 20 HG LEU 20 -13.140 -4.435 1.608 244 1HD1 LEU 20 3HD1 LEU 20 -11.534 -2.660 2.032 245 2HD1 LEU 20 2HD1 LEU 20 -12.368 -2.254 3.528 246 3HD1 LEU 20 1HD1 LEU 20 -11.568 -3.817 3.363 247 1HD2 LEU 20 3HD2 LEU 20 -14.553 -3.482 4.092 248 2HD2 LEU 20 2HD2 LEU 20 -15.083 -4.772 3.014 249 3HD2 LEU 20 1HD2 LEU 20 -13.613 -4.969 3.965 250 MD1 LEU 20 QD1 LEU 20 -11.823 -2.911 2.974 251 MD2 LEU 20 QD2 LEU 20 -14.416 -4.408 3.691 252 QB LEU 20 QB LEU 20 -14.095 -1.979 1.551 253 QD LEU 20 QQD LEU 20 -13.120 -3.659 3.332 254 H VAL 21 H VAL 21 -15.352 -1.849 -1.436 255 HA VAL 21 HA VAL 21 -17.173 0.234 -0.782 256 HB VAL 21 HB VAL 21 -16.318 -0.699 -3.552 257 1HG1 VAL 21 1HG1 VAL 21 -17.622 1.887 -2.688 258 2HG1 VAL 21 3HG1 VAL 21 -17.028 1.543 -4.311 259 3HG1 VAL 21 2HG1 VAL 21 -18.378 0.620 -3.650 260 1HG2 VAL 21 2HG2 VAL 21 -15.279 1.510 -1.802 261 2HG2 VAL 21 1HG2 VAL 21 -14.424 0.030 -2.228 262 3HG2 VAL 21 3HG2 VAL 21 -14.789 1.234 -3.468 263 MG1 VAL 21 QG1 VAL 21 -17.676 1.350 -3.550 264 MG2 VAL 21 QG2 VAL 21 -14.831 0.924 -2.499 265 QG VAL 21 QQG VAL 21 -16.253 1.137 -3.025 266 H GLU 22 H GLU 22 -17.503 -2.813 -2.459 267 HA GLU 22 HA GLU 22 -20.177 -2.588 -3.269 268 1HB GLU 22 2HB GLU 22 -18.647 -5.029 -2.410 269 2HB GLU 22 1HB GLU 22 -20.158 -5.064 -3.308 270 1HG GLU 22 2HG GLU 22 -17.505 -3.992 -4.258 271 2HG GLU 22 1HG GLU 22 -18.273 -5.496 -4.761 272 QB GLU 22 QB GLU 22 -19.402 -5.047 -2.859 273 QG GLU 22 QG GLU 22 -17.889 -4.744 -4.510 274 H LYS 23 H LYS 23 -18.725 -3.611 -0.253 275 HA LYS 23 HA LYS 23 -21.192 -4.471 0.932 276 1HB LYS 23 2HB LYS 23 -18.431 -4.109 2.057 277 2HB LYS 23 1HB LYS 23 -19.800 -4.628 3.026 278 1HG LYS 23 2HG LYS 23 -18.770 -6.072 0.593 279 2HG LYS 23 1HG LYS 23 -18.375 -6.488 2.261 280 1HD LYS 23 2HD LYS 23 -20.776 -6.846 2.717 281 2HD LYS 23 1HD LYS 23 -21.135 -6.486 1.031 282 1HE LYS 23 2HE LYS 23 -19.803 -8.385 0.319 283 2HE LYS 23 1HE LYS 23 -19.368 -8.721 1.988 284 1HZ LYS 23 3HZ LYS 23 -22.143 -8.814 0.917 285 2HZ LYS 23 2HZ LYS 23 -21.165 -10.146 1.205 286 3HZ LYS 23 1HZ LYS 23 -21.654 -9.190 2.486 287 QB LYS 23 QB LYS 23 -19.115 -4.369 2.541 288 QD LYS 23 QD LYS 23 -20.955 -6.666 1.874 289 QG LYS 23 QG LYS 23 -18.572 -6.280 1.427 290 QE LYS 23 QE LYS 23 -19.586 -8.553 1.153 291 QZ LYS 23 QZ LYS 23 -21.654 -9.383 1.536 292 H TYR 24 H TYR 24 -19.086 -1.653 1.403 293 HA TYR 24 HA TYR 24 -20.966 -0.691 3.367 294 1HB TYR 24 2HB TYR 24 -18.237 0.239 2.572 295 2HB TYR 24 1HB TYR 24 -19.277 1.207 3.621 296 HD1 TYR 24 1HD TYR 24 -20.188 -0.011 5.718 297 HD2 TYR 24 2HD TYR 24 -16.840 -1.367 3.476 298 HE1 TYR 24 1HE TYR 24 -19.420 -1.299 7.663 299 HE2 TYR 24 2HE TYR 24 -16.065 -2.666 5.419 300 HH TYR 24 HH TYR 24 -16.383 -2.464 7.978 301 QB TYR 24 QB TYR 24 -18.757 0.723 3.096 302 QD TYR 24 QD TYR 24 -18.514 -0.689 4.597 303 QE TYR 24 QE TYR 24 -17.742 -1.982 6.541 304 QR TYR 24 QR TYR 24 -18.128 -1.336 5.569 305 H GLY 25 H GLY 25 -19.929 0.285 0.127 306 1HA GLY 25 1HA GLY 25 -21.881 2.455 0.364 307 2HA GLY 25 2HA GLY 25 -21.889 1.383 -1.023 308 QA GLY 25 QA GLY 25 -21.885 1.919 -0.330 309 H PHE 26 H PHE 26 -21.528 3.224 -2.368 310 HA PHE 26 HA PHE 26 -18.808 3.706 -2.939 311 1HB PHE 26 2HB PHE 26 -21.321 5.013 -3.959 312 2HB PHE 26 1HB PHE 26 -19.721 5.501 -4.493 313 HD1 PHE 26 1HD PHE 26 -22.321 2.980 -4.713 314 HD2 PHE 26 2HD PHE 26 -18.345 3.995 -5.825 315 HE1 PHE 26 1HE PHE 26 -22.364 1.241 -6.449 316 HE2 PHE 26 2HE PHE 26 -18.378 2.253 -7.562 317 HZ PHE 26 HZ PHE 26 -20.387 0.873 -7.874 318 QB PHE 26 QB PHE 26 -20.521 5.257 -4.226 319 QD PHE 26 QD PHE 26 -20.333 3.487 -5.269 320 QE PHE 26 QE PHE 26 -20.371 1.747 -7.005 321 QR PHE 26 QR PHE 26 -20.359 2.268 -6.485 322 H THR 27 H THR 27 -17.467 5.026 -2.093 323 HA THR 27 HA THR 27 -16.490 6.746 -1.027 324 HB THR 27 HB THR 27 -19.001 8.310 -1.735 325 HG1 THR 27 1HG THR 27 -17.682 8.753 -3.685 326 1HG2 THR 27 2HG2 THR 27 -17.325 9.491 -0.301 327 2HG2 THR 27 1HG2 THR 27 -16.096 9.175 -1.522 328 3HG2 THR 27 3HG2 THR 27 -17.469 10.221 -1.899 329 MG THR 27 QG2 THR 27 -16.963 9.629 -1.241 330 H HIS 28 H HIS 28 -18.387 4.937 0.415 331 HA HIS 28 HA HIS 28 -19.559 6.377 2.533 332 1HB HIS 28 2HB HIS 28 -20.318 4.116 2.088 333 2HB HIS 28 1HB HIS 28 -18.701 3.473 2.315 334 HD1 HIS 28 1HD HIS 28 -21.510 5.039 4.391 335 HD2 HIS 28 2HD HIS 28 -18.137 2.669 4.819 336 HE1 HIS 28 1HE HIS 28 -21.483 4.285 6.789 337 QB HIS 28 QB HIS 28 -19.510 3.794 2.202 338 H HIS 29 H HIS 29 -18.863 6.491 4.701 339 HA HIS 29 HA HIS 29 -16.484 7.741 5.178 340 1HB HIS 29 2HB HIS 29 -18.390 7.872 6.669 341 2HB HIS 29 1HB HIS 29 -18.222 6.177 7.088 342 HD1 HIS 29 1HD HIS 29 -16.744 9.567 7.820 343 HD2 HIS 29 2HD HIS 29 -16.305 5.608 8.985 344 HE1 HIS 29 1HE HIS 29 -15.388 9.608 9.910 345 QB HIS 29 QB HIS 29 -18.306 7.024 6.879 346 H LYS 30 H LYS 30 -17.148 4.315 6.023 347 HA LYS 30 HA LYS 30 -14.537 3.757 6.938 348 1HB LYS 30 2HB LYS 30 -16.527 1.807 5.738 349 2HB LYS 30 1HB LYS 30 -15.092 1.375 6.642 350 1HG LYS 30 2HG LYS 30 -17.447 2.892 7.746 351 2HG LYS 30 1HG LYS 30 -17.116 1.179 7.995 352 1HD LYS 30 2HD LYS 30 -14.973 1.800 9.084 353 2HD LYS 30 1HD LYS 30 -15.403 3.498 8.902 354 1HE LYS 30 2HE LYS 30 -17.437 3.097 10.250 355 2HE LYS 30 1HE LYS 30 -16.924 1.424 10.467 356 1HZ LYS 30 1HZ LYS 30 -14.942 2.216 11.590 357 2HZ LYS 30 3HZ LYS 30 -15.457 3.825 11.415 358 3HZ LYS 30 2HZ LYS 30 -16.341 2.739 12.352 359 QB LYS 30 QB LYS 30 -15.809 1.591 6.190 360 QD LYS 30 QD LYS 30 -15.188 2.649 8.993 361 QG LYS 30 QG LYS 30 -17.282 2.036 7.870 362 QE LYS 30 QE LYS 30 -17.181 2.261 10.358 363 QZ LYS 30 QZ LYS 30 -15.580 2.927 11.786 364 H VAL 31 H VAL 31 -15.998 3.611 3.785 365 HA VAL 31 HA VAL 31 -14.000 2.221 2.395 366 HB VAL 31 HB VAL 31 -16.044 4.233 1.417 367 1HG1 VAL 31 1HG1 VAL 31 -14.293 2.391 -0.213 368 2HG1 VAL 31 3HG1 VAL 31 -15.624 3.368 -0.837 369 3HG1 VAL 31 2HG1 VAL 31 -14.194 4.152 -0.173 370 1HG2 VAL 31 3HG2 VAL 31 -16.941 2.184 2.393 371 2HG2 VAL 31 2HG2 VAL 31 -17.254 2.259 0.658 372 3HG2 VAL 31 1HG2 VAL 31 -15.971 1.221 1.283 373 MG1 VAL 31 QG1 VAL 31 -14.704 3.304 -0.408 374 MG2 VAL 31 QG2 VAL 31 -16.722 1.888 1.445 375 QG VAL 31 QQG VAL 31 -15.713 2.596 0.519 376 H ILE 32 H ILE 32 -14.457 5.664 2.960 377 HA ILE 32 HA ILE 32 -12.299 6.585 1.420 378 HB ILE 32 HB ILE 32 -13.462 7.820 3.941 379 1HG1 ILE 32 2HG1 ILE 32 -14.109 8.364 1.029 380 2HG1 ILE 32 1HG1 ILE 32 -15.120 7.426 2.120 381 1HG2 ILE 32 2HG2 ILE 32 -11.259 8.726 3.379 382 2HG2 ILE 32 1HG2 ILE 32 -11.805 9.068 1.742 383 3HG2 ILE 32 3HG2 ILE 32 -12.527 9.925 3.106 384 1HD1 ILE 32 1HD1 ILE 32 -14.433 10.345 2.413 385 2HD1 ILE 32 3HD1 ILE 32 -15.966 9.690 1.836 386 3HD1 ILE 32 2HD1 ILE 32 -15.462 9.413 3.503 387 MG ILE 32 QG2 ILE 32 -11.864 9.240 2.743 388 MD ILE 32 QD1 ILE 32 -15.287 9.816 2.584 389 QG ILE 32 QG1 ILE 32 -14.615 7.895 1.575 390 H SER 33 H SER 33 -12.489 5.416 4.717 391 HA SER 33 HA SER 33 -9.850 6.081 5.472 392 1HB SER 33 2HB SER 33 -11.781 5.600 7.035 393 2HB SER 33 1HB SER 33 -11.621 3.900 6.617 394 HG SER 33 HG SER 33 -9.848 3.753 7.779 395 QB SER 33 QB SER 33 -11.701 4.750 6.826 396 H PHE 34 H PHE 34 -11.339 3.186 4.030 397 HA PHE 34 HA PHE 34 -8.984 1.568 4.102 398 1HB PHE 34 2HB PHE 34 -11.259 1.371 2.124 399 2HB PHE 34 1HB PHE 34 -10.107 0.107 2.512 400 HD1 PHE 34 1HD PHE 34 -10.188 0.250 5.499 401 HD2 PHE 34 2HD PHE 34 -13.257 0.445 2.585 402 HE1 PHE 34 1HE PHE 34 -11.797 -0.653 7.141 403 HE2 PHE 34 2HE PHE 34 -14.880 -0.439 4.215 404 HZ PHE 34 HZ PHE 34 -14.147 -0.988 6.493 405 QB PHE 34 QB PHE 34 -10.683 0.739 2.318 406 QD PHE 34 QD PHE 34 -11.723 0.348 4.042 407 QE PHE 34 QE PHE 34 -13.338 -0.546 5.678 408 QR PHE 34 QR PHE 34 -12.854 -0.277 5.187 409 H SER 35 H SER 35 -10.315 3.882 1.876 410 HA SER 35 HA SER 35 -8.647 3.472 -0.322 411 1HB SER 35 2HB SER 35 -10.684 4.860 -0.420 412 2HB SER 35 1HB SER 35 -9.957 6.025 0.677 413 HG SER 35 HG SER 35 -9.031 5.350 -1.919 414 QB SER 35 QB SER 35 -10.321 5.442 0.128 415 H GLN 36 H GLN 36 -8.243 5.351 2.628 416 HA GLN 36 HA GLN 36 -5.815 6.564 1.873 417 1HB GLN 36 2HB GLN 36 -6.825 5.993 4.667 418 2HB GLN 36 1HB GLN 36 -5.532 7.114 4.244 419 1HG GLN 36 2HG GLN 36 -8.418 7.328 3.434 420 2HG GLN 36 1HG GLN 36 -7.585 8.315 4.636 421 1HE2 GLN 36 1HE2 GLN 36 -8.943 8.932 2.078 422 2HE2 GLN 36 2HE2 GLN 36 -7.797 9.859 1.179 423 QB GLN 36 QB GLN 36 -6.178 6.553 4.456 424 QG GLN 36 QG GLN 36 -8.002 7.822 4.035 425 QE GLN 36 QE2 GLN 36 -8.370 9.396 1.629 426 H GLU 37 H GLU 37 -6.574 3.493 3.362 427 HA GLU 37 HA GLU 37 -3.972 2.709 4.111 428 1HB GLU 37 2HB GLU 37 -6.266 1.028 3.109 429 2HB GLU 37 1HB GLU 37 -4.794 0.383 3.803 430 1HG GLU 37 2HG GLU 37 -5.335 1.436 5.926 431 2HG GLU 37 1HG GLU 37 -6.806 2.109 5.219 432 QB GLU 37 QB GLU 37 -5.530 0.705 3.456 433 QG GLU 37 QG GLU 37 -6.070 1.773 5.572 434 H LEU 38 H LEU 38 -5.812 2.261 1.143 435 HA LEU 38 HA LEU 38 -3.835 0.834 -0.273 436 1HB LEU 38 2HB LEU 38 -6.300 0.885 -0.783 437 2HB LEU 38 1HB LEU 38 -6.111 2.515 -1.374 438 HG LEU 38 HG LEU 38 -6.324 0.720 -3.135 439 1HD1 LEU 38 3HD1 LEU 38 -5.390 2.882 -3.745 440 2HD1 LEU 38 2HD1 LEU 38 -3.785 2.333 -3.263 441 3HD1 LEU 38 1HD1 LEU 38 -4.605 1.572 -4.625 442 1HD2 LEU 38 1HD2 LEU 38 -3.572 -0.020 -2.172 443 2HD2 LEU 38 3HD2 LEU 38 -5.030 -1.009 -2.064 444 3HD2 LEU 38 2HD2 LEU 38 -4.332 -0.618 -3.638 445 MD1 LEU 38 QD1 LEU 38 -4.594 2.263 -3.878 446 MD2 LEU 38 QD2 LEU 38 -4.311 -0.549 -2.625 447 QB LEU 38 QB LEU 38 -6.205 1.700 -1.078 448 QD LEU 38 QQD LEU 38 -4.452 0.857 -3.251 449 H ASP 39 H ASP 39 -4.755 4.237 -0.236 450 HA ASP 39 HA ASP 39 -2.941 5.248 -2.075 451 1HB ASP 39 2HB ASP 39 -4.739 6.598 -1.136 452 2HB ASP 39 1HB ASP 39 -3.985 6.531 0.454 453 QB ASP 39 QB ASP 39 -4.362 6.565 -0.341 454 H ARG 40 H ARG 40 -2.566 4.891 1.429 455 HA ARG 40 HA ARG 40 0.065 5.898 1.454 456 1HB ARG 40 2HB ARG 40 -1.289 4.173 3.521 457 2HB ARG 40 1HB ARG 40 0.250 4.987 3.743 458 1HG ARG 40 2HG ARG 40 -2.483 6.201 3.491 459 2HG ARG 40 1HG ARG 40 -1.335 6.327 4.825 460 1HD ARG 40 2HD ARG 40 0.197 7.535 3.206 461 2HD ARG 40 1HD ARG 40 -1.177 7.606 2.103 462 HE ARG 40 HE ARG 40 -1.240 8.704 4.806 463 1HH1 ARG 40 1HH1 ARG 40 -2.095 9.073 1.334 464 2HH1 ARG 40 2HH1 ARG 40 -2.602 10.663 1.513 465 1HH2 ARG 40 1HH2 ARG 40 -1.940 10.904 5.005 466 2HH2 ARG 40 2HH2 ARG 40 -2.485 11.751 3.645 467 QB ARG 40 QB ARG 40 -0.519 4.580 3.632 468 QG ARG 40 QG ARG 40 -1.909 6.264 4.158 469 QD ARG 40 QD ARG 40 -0.490 7.571 2.655 470 QH1 ARG 40 QH1 ARG 40 -2.349 9.868 1.424 471 QH2 ARG 40 QH2 ARG 40 -2.212 11.328 4.325 472 H LEU 41 H LEU 41 -1.188 2.649 1.073 473 HA LEU 41 HA LEU 41 1.221 1.244 1.368 474 1HB LEU 41 2HB LEU 41 -1.446 0.684 0.851 475 2HB LEU 41 1HB LEU 41 -0.654 0.226 -0.637 476 HG LEU 41 HG LEU 41 -0.944 -1.672 0.766 477 1HD1 LEU 41 3HD1 LEU 41 1.947 -0.844 0.692 478 2HD1 LEU 41 2HD1 LEU 41 1.371 -2.494 0.963 479 3HD1 LEU 41 1HD1 LEU 41 1.050 -1.682 -0.572 480 1HD2 LEU 41 3HD2 LEU 41 -1.079 -0.608 2.930 481 2HD2 LEU 41 2HD2 LEU 41 0.132 -1.884 2.963 482 3HD2 LEU 41 1HD2 LEU 41 0.634 -0.196 2.868 483 MD1 LEU 41 QD1 LEU 41 1.456 -1.674 0.361 484 MD2 LEU 41 QD2 LEU 41 -0.104 -0.896 2.921 485 QB LEU 41 QB LEU 41 -1.050 0.455 0.107 486 QD LEU 41 QQD LEU 41 0.676 -1.285 1.641 487 H LEU 42 H LEU 42 -0.382 2.739 -1.396 488 HA LEU 42 HA LEU 42 1.586 2.014 -3.333 489 1HB LEU 42 2HB LEU 42 -0.839 2.638 -3.742 490 2HB LEU 42 1HB LEU 42 -0.404 4.300 -3.430 491 HG LEU 42 HG LEU 42 0.749 2.681 -5.719 492 1HD1 LEU 42 2HD1 LEU 42 -1.628 4.534 -5.695 493 2HD1 LEU 42 1HD1 LEU 42 -0.883 3.835 -7.133 494 3HD1 LEU 42 3HD1 LEU 42 -1.664 2.789 -5.949 495 1HD2 LEU 42 2HD2 LEU 42 2.019 4.706 -5.089 496 2HD2 LEU 42 1HD2 LEU 42 1.264 4.863 -6.674 497 3HD2 LEU 42 3HD2 LEU 42 0.551 5.665 -5.276 498 MD1 LEU 42 QD1 LEU 42 -1.392 3.719 -6.259 499 MD2 LEU 42 QD2 LEU 42 1.278 5.078 -5.680 500 QB LEU 42 QB LEU 42 -0.621 3.469 -3.586 501 QD LEU 42 QQD LEU 42 -0.057 4.399 -5.969 502 H ASN 43 H ASN 43 1.105 4.748 -1.201 503 HA ASN 43 HA ASN 43 3.244 6.313 -2.222 504 1HB ASN 43 2HB ASN 43 1.860 6.392 0.457 505 2HB ASN 43 1HB ASN 43 3.277 7.373 0.153 506 1HD2 ASN 43 1HD2 ASN 43 0.741 6.699 -2.231 507 2HD2 ASN 43 2HD2 ASN 43 0.136 8.304 -2.301 508 QB ASN 43 QB ASN 43 2.569 6.882 0.305 509 QD ASN 43 QD2 ASN 43 0.439 7.501 -2.266 510 H LEU 44 H LEU 44 3.157 3.683 0.075 511 HA LEU 44 HA LEU 44 5.796 3.890 1.065 512 1HB LEU 44 2HB LEU 44 4.137 1.417 0.553 513 2HB LEU 44 1HB LEU 44 5.652 1.425 1.417 514 HG LEU 44 HG LEU 44 3.118 2.791 2.324 515 1HD1 LEU 44 1HD1 LEU 44 2.990 0.340 2.330 516 2HD1 LEU 44 3HD1 LEU 44 4.470 0.272 3.281 517 3HD1 LEU 44 2HD1 LEU 44 3.012 0.993 3.969 518 1HD2 LEU 44 1HD2 LEU 44 5.771 2.374 3.712 519 2HD2 LEU 44 3HD2 LEU 44 5.138 3.917 3.137 520 3HD2 LEU 44 2HD2 LEU 44 4.325 3.061 4.448 521 MD1 LEU 44 QD1 LEU 44 3.491 0.535 3.193 522 MD2 LEU 44 QD2 LEU 44 5.078 3.117 3.766 523 QB LEU 44 QB LEU 44 4.895 1.421 0.985 524 QD LEU 44 QQD LEU 44 4.284 1.826 3.479 525 H LEU 45 H LEU 45 4.402 2.242 -1.690 526 HA LEU 45 HA LEU 45 6.640 0.946 -2.716 527 1HB LEU 45 2HB LEU 45 4.322 0.600 -3.428 528 2HB LEU 45 1HB LEU 45 4.313 2.175 -4.187 529 HG LEU 45 HG LEU 45 6.150 1.324 -5.695 530 1HD1 LEU 45 3HD1 LEU 45 5.330 -1.314 -4.505 531 2HD1 LEU 45 2HD1 LEU 45 6.334 -1.113 -5.938 532 3HD1 LEU 45 1HD1 LEU 45 6.909 -0.544 -4.368 533 1HD2 LEU 45 2HD2 LEU 45 3.445 0.004 -5.769 534 2HD2 LEU 45 1HD2 LEU 45 3.858 1.565 -6.447 535 3HD2 LEU 45 3HD2 LEU 45 4.559 0.097 -7.140 536 MD1 LEU 45 QD1 LEU 45 6.191 -0.990 -4.937 537 MD2 LEU 45 QD2 LEU 45 3.954 0.555 -6.452 538 QB LEU 45 QB LEU 45 4.318 1.388 -3.808 539 QD LEU 45 QQD LEU 45 5.072 -0.218 -5.695 540 H ILE 46 H ILE 46 5.453 4.210 -3.260 541 HA ILE 46 HA ILE 46 7.461 4.957 -5.137 542 HB ILE 46 HB ILE 46 5.683 6.695 -3.396 543 1HG1 ILE 46 2HG1 ILE 46 5.338 5.849 -6.285 544 2HG1 ILE 46 1HG1 ILE 46 4.451 5.176 -4.923 545 1HG2 ILE 46 3HG2 ILE 46 7.618 7.940 -4.202 546 2HG2 ILE 46 2HG2 ILE 46 7.276 7.428 -5.858 547 3HG2 ILE 46 1HG2 ILE 46 6.142 8.478 -5.005 548 1HD1 ILE 46 2HD1 ILE 46 4.356 8.043 -5.854 549 2HD1 ILE 46 1HD1 ILE 46 3.120 6.812 -6.135 550 3HD1 ILE 46 3HD1 ILE 46 3.462 7.361 -4.495 551 MG ILE 46 QG2 ILE 46 7.012 7.949 -5.022 552 MD ILE 46 QD1 ILE 46 3.646 7.405 -5.495 553 QG ILE 46 QG1 ILE 46 4.894 5.512 -5.604 554 H GLU 47 H GLU 47 6.995 5.572 -1.654 555 HA GLU 47 HA GLU 47 9.254 7.241 -1.349 556 1HB GLU 47 2HB GLU 47 7.253 7.111 0.210 557 2HB GLU 47 1HB GLU 47 7.945 5.626 0.839 558 1HG GLU 47 2HG GLU 47 9.978 6.882 1.470 559 2HG GLU 47 1HG GLU 47 9.201 8.358 0.923 560 QB GLU 47 QB GLU 47 7.599 6.368 0.525 561 QG GLU 47 QG GLU 47 9.590 7.620 1.196 562 H LEU 48 H LEU 48 8.802 3.789 -1.126 563 HA LEU 48 HA LEU 48 11.129 3.101 0.220 564 1HB LEU 48 2HB LEU 48 9.190 1.580 -0.294 565 2HB LEU 48 1HB LEU 48 9.737 1.503 -1.946 566 HG LEU 48 HG LEU 48 10.250 -0.510 -0.508 567 1HD1 LEU 48 2HD1 LEU 48 12.633 0.843 -1.746 568 2HD1 LEU 48 1HD1 LEU 48 12.508 -0.869 -1.340 569 3HD1 LEU 48 3HD1 LEU 48 11.461 -0.177 -2.579 570 1HD2 LEU 48 3HD2 LEU 48 12.218 1.379 0.783 571 2HD2 LEU 48 2HD2 LEU 48 10.832 0.612 1.555 572 3HD2 LEU 48 1HD2 LEU 48 12.187 -0.369 0.997 573 MD1 LEU 48 QD1 LEU 48 12.201 -0.068 -1.888 574 MD2 LEU 48 QD2 LEU 48 11.746 0.541 1.112 575 QB LEU 48 QB LEU 48 9.464 1.541 -1.120 576 QD LEU 48 QQD LEU 48 11.973 0.236 -0.388 577 H LYS 49 H LYS 49 10.556 3.791 -3.174 578 HA LYS 49 HA LYS 49 13.119 2.985 -4.120 579 1HB LYS 49 2HB LYS 49 11.117 4.915 -5.303 580 2HB LYS 49 1HB LYS 49 12.525 4.284 -6.143 581 1HG LYS 49 2HG LYS 49 11.628 2.036 -5.958 582 2HG LYS 49 1HG LYS 49 10.211 2.668 -5.112 583 1HD LYS 49 2HD LYS 49 9.612 3.976 -7.069 584 2HD LYS 49 1HD LYS 49 11.053 3.404 -7.914 585 1HE LYS 49 2HE LYS 49 9.083 2.166 -8.621 586 2HE LYS 49 1HE LYS 49 10.208 1.111 -7.770 587 1HZ LYS 49 2HZ LYS 49 8.824 1.357 -5.785 588 2HZ LYS 49 1HZ LYS 49 7.742 2.320 -6.641 589 3HZ LYS 49 3HZ LYS 49 7.966 0.704 -7.081 590 QB LYS 49 QB LYS 49 11.821 4.599 -5.723 591 QD LYS 49 QD LYS 49 10.332 3.690 -7.491 592 QG LYS 49 QG LYS 49 10.920 2.352 -5.535 593 QE LYS 49 QE LYS 49 9.645 1.638 -8.195 594 QZ LYS 49 QZ LYS 49 8.178 1.460 -6.503 595 H THR 50 H THR 50 11.776 5.906 -2.804 596 HA THR 50 HA THR 50 13.875 7.638 -3.498 597 HB THR 50 HB THR 50 11.959 7.857 -1.168 598 HG1 THR 50 1HG THR 50 10.599 8.913 -2.658 599 1HG2 THR 50 1HG2 THR 50 13.775 9.526 -1.210 600 2HG2 THR 50 3HG2 THR 50 13.321 9.970 -2.857 601 3HG2 THR 50 2HG2 THR 50 12.207 10.268 -1.523 602 MG THR 50 QG2 THR 50 13.101 9.921 -1.864 603 H LYS 51 H LYS 51 13.109 5.681 -0.633 604 HA LYS 51 HA LYS 51 15.372 6.735 0.739 605 1HB LYS 51 2HB LYS 51 14.540 5.533 2.685 606 2HB LYS 51 1HB LYS 51 13.285 6.506 1.937 607 1HG LYS 51 2HG LYS 51 12.724 4.202 0.774 608 2HG LYS 51 1HG LYS 51 13.526 3.562 2.206 609 1HD LYS 51 2HD LYS 51 11.116 5.379 2.115 610 2HD LYS 51 1HD LYS 51 11.167 3.708 2.660 611 1HE LYS 51 2HE LYS 51 12.553 4.348 4.544 612 2HE LYS 51 1HE LYS 51 12.592 6.015 3.979 613 1HZ LYS 51 3HZ LYS 51 10.164 6.118 4.277 614 2HZ LYS 51 2HZ LYS 51 10.180 4.531 4.849 615 3HZ LYS 51 1HZ LYS 51 10.961 5.721 5.714 616 QB LYS 51 QB LYS 51 13.913 6.020 2.311 617 QD LYS 51 QD LYS 51 11.141 4.544 2.387 618 QG LYS 51 QG LYS 51 13.125 3.882 1.490 619 QE LYS 51 QE LYS 51 12.572 5.181 4.261 620 QZ LYS 51 QZ LYS 51 10.435 5.457 4.947 621 H LYS 52 H LYS 52 14.365 3.419 -0.206 622 HA LYS 52 HA LYS 52 15.338 1.421 -0.120 623 1HB LYS 52 2HB LYS 52 17.301 1.082 -1.555 624 2HB LYS 52 1HB LYS 52 16.102 2.123 -2.290 625 1HG LYS 52 2HG LYS 52 17.466 4.060 -1.830 626 2HG LYS 52 1HG LYS 52 18.636 3.060 -0.966 627 1HD LYS 52 2HD LYS 52 19.074 1.814 -3.018 628 2HD LYS 52 1HD LYS 52 17.908 2.818 -3.880 629 1HE LYS 52 2HE LYS 52 19.250 4.778 -3.507 630 2HE LYS 52 1HE LYS 52 20.368 3.868 -2.494 631 1HZ LYS 52 3HZ LYS 52 19.874 3.384 -5.375 632 2HZ LYS 52 2HZ LYS 52 21.206 4.188 -4.745 633 3HZ LYS 52 1HZ LYS 52 20.962 2.543 -4.408 634 QB LYS 52 QB LYS 52 16.702 1.602 -1.922 635 QD LYS 52 QD LYS 52 18.491 2.316 -3.449 636 QG LYS 52 QG LYS 52 18.051 3.560 -1.398 637 QE LYS 52 QE LYS 52 19.809 4.323 -3.000 638 QZ LYS 52 QZ LYS 52 20.681 3.372 -4.842 639 H LYS 53 H LYS 53 17.142 3.669 1.539 640 HA LYS 53 HA LYS 53 19.127 2.104 2.740 641 1HB LYS 53 2HB LYS 53 19.228 3.950 4.374 642 2HB LYS 53 1HB LYS 53 19.256 4.499 2.704 643 1HG LYS 53 2HG LYS 53 16.812 5.004 2.899 644 2HG LYS 53 1HG LYS 53 16.913 4.600 4.605 645 1HD LYS 53 2HD LYS 53 18.479 6.799 3.237 646 2HD LYS 53 1HD LYS 53 16.996 7.042 4.142 647 1HE LYS 53 2HE LYS 53 18.727 7.664 5.614 648 2HE LYS 53 1HE LYS 53 18.238 6.063 6.146 649 1HZ LYS 53 2HZ LYS 53 20.582 6.484 4.353 650 2HZ LYS 53 1HZ LYS 53 20.696 6.478 6.032 651 3HZ LYS 53 3HZ LYS 53 20.196 5.110 5.233 652 QB LYS 53 QB LYS 53 19.242 4.224 3.539 653 QD LYS 53 QD LYS 53 17.737 6.921 3.690 654 QG LYS 53 QG LYS 53 16.863 4.802 3.752 655 QE LYS 53 QE LYS 53 18.482 6.864 5.880 656 QZ LYS 53 QZ LYS 53 20.492 6.024 5.206 657 H ARG 54 H ARG 54 15.717 2.318 3.376 658 HA ARG 54 HA ARG 54 15.828 1.195 5.987 659 1HB ARG 54 2HB ARG 54 13.987 2.591 5.398 660 2HB ARG 54 1HB ARG 54 13.701 1.694 3.908 661 1HG ARG 54 2HG ARG 54 11.973 1.222 5.441 662 2HG ARG 54 1HG ARG 54 13.015 -0.191 5.239 663 1HD ARG 54 2HD ARG 54 12.397 0.062 7.601 664 2HD ARG 54 1HD ARG 54 14.121 0.324 7.371 665 HE ARG 54 HE ARG 54 12.602 2.758 7.359 666 1HH1 ARG 54 1HH1 ARG 54 14.097 0.376 9.506 667 2HH1 ARG 54 2HH1 ARG 54 14.237 1.440 10.824 668 1HH2 ARG 54 1HH2 ARG 54 12.767 4.212 9.211 669 2HH2 ARG 54 2HH2 ARG 54 13.499 3.662 10.641 670 QB ARG 54 QB ARG 54 13.844 2.142 4.653 671 QG ARG 54 QG ARG 54 12.494 0.516 5.340 672 QD ARG 54 QD ARG 54 13.259 0.193 7.486 673 QH1 ARG 54 QH1 ARG 54 14.167 0.908 10.165 674 QH2 ARG 54 QH2 ARG 54 13.133 3.937 9.926 675 H TYR 55 H TYR 55 15.874 -0.912 6.368 676 HA TYR 55 HA TYR 55 16.850 -2.674 4.326 677 1HB TYR 55 2HB TYR 55 16.210 -3.249 7.207 678 2HB TYR 55 1HB TYR 55 16.993 -4.380 6.108 679 HD1 TYR 55 1HD TYR 55 17.601 -2.189 8.634 680 HD2 TYR 55 2HD TYR 55 19.009 -3.155 4.780 681 HE1 TYR 55 1HE TYR 55 19.775 -1.205 9.219 682 HE2 TYR 55 2HE TYR 55 21.238 -2.178 5.337 683 HH TYR 55 HH TYR 55 22.240 -0.656 6.900 684 QB TYR 55 QB TYR 55 16.601 -3.814 6.658 685 QD TYR 55 QD TYR 55 18.305 -2.672 6.707 686 QE TYR 55 QE TYR 55 20.507 -1.691 7.278 687 QR TYR 55 QR TYR 55 19.406 -2.182 6.992 688 H SER 56 H SER 56 14.185 -1.923 3.975 689 HA SER 56 HA SER 56 12.359 -4.089 4.410 690 1HB SER 56 2HB SER 56 11.569 -1.797 4.022 691 2HB SER 56 1HB SER 56 12.305 -1.808 2.428 692 HG SER 56 HG SER 56 10.099 -3.344 3.325 693 QB SER 56 QB SER 56 11.937 -1.802 3.225 694 H LEU 57 H LEU 57 14.510 -3.059 1.859 695 HA LEU 57 HA LEU 57 13.697 -4.784 -0.196 696 1HB LEU 57 2HB LEU 57 16.443 -3.597 0.320 697 2HB LEU 57 1HB LEU 57 15.961 -4.368 -1.169 698 HG LEU 57 HG LEU 57 14.254 -2.453 -1.455 699 1HD1 LEU 57 1HD1 LEU 57 14.124 -1.715 0.821 700 2HD1 LEU 57 3HD1 LEU 57 15.812 -1.196 0.758 701 3HD1 LEU 57 2HD1 LEU 57 14.601 -0.433 -0.279 702 1HD2 LEU 57 3HD2 LEU 57 17.180 -1.757 -1.355 703 2HD2 LEU 57 2HD2 LEU 57 16.341 -2.537 -2.698 704 3HD2 LEU 57 1HD2 LEU 57 15.930 -0.884 -2.242 705 MD1 LEU 57 QD1 LEU 57 14.846 -1.115 0.433 706 MD2 LEU 57 QD2 LEU 57 16.483 -1.726 -2.098 707 QB LEU 57 QB LEU 57 16.202 -3.982 -0.424 708 QD LEU 57 QQD LEU 57 15.665 -1.420 -0.833 709 H LEU 58 H LEU 58 15.813 -5.148 2.500 710 HA LEU 58 HA LEU 58 16.731 -7.766 1.668 711 1HB LEU 58 2HB LEU 58 17.294 -6.116 4.125 712 2HB LEU 58 1HB LEU 58 17.866 -7.751 3.938 713 HG LEU 58 HG LEU 58 19.177 -6.982 1.932 714 1HD1 LEU 58 1HD1 LEU 58 18.407 -4.238 2.902 715 2HD1 LEU 58 3HD1 LEU 58 19.628 -4.599 1.681 716 3HD1 LEU 58 2HD1 LEU 58 17.931 -4.975 1.374 717 1HD2 LEU 58 1HD2 LEU 58 20.175 -7.295 4.119 718 2HD2 LEU 58 3HD2 LEU 58 20.928 -5.966 3.246 719 3HD2 LEU 58 2HD2 LEU 58 19.783 -5.628 4.547 720 MD1 LEU 58 QD1 LEU 58 18.655 -4.604 1.985 721 MD2 LEU 58 QD2 LEU 58 20.296 -6.296 3.971 722 QB LEU 58 QB LEU 58 17.580 -6.934 4.031 723 QD LEU 58 QQD LEU 58 19.475 -5.450 2.978 724 H GLU 59 H GLU 59 15.110 -6.440 4.549 725 HA GLU 59 HA GLU 59 14.288 -9.125 5.265 726 1HB GLU 59 2HB GLU 59 14.108 -6.570 6.847 727 2HB GLU 59 1HB GLU 59 13.784 -8.192 7.445 728 1HG GLU 59 2HG GLU 59 16.130 -8.784 7.011 729 2HG GLU 59 1HG GLU 59 16.421 -7.142 6.462 730 QB GLU 59 QB GLU 59 13.946 -7.381 7.146 731 QG GLU 59 QG GLU 59 16.276 -7.963 6.737 732 H HIS 60 H HIS 60 12.417 -6.501 6.332 733 HA HIS 60 HA HIS 60 10.215 -6.910 4.527 734 1HB HIS 60 2HB HIS 60 9.955 -8.942 5.822 735 2HB HIS 60 1HB HIS 60 10.156 -8.075 7.329 736 HD1 HIS 60 1HD HIS 60 7.551 -8.917 4.723 737 HD2 HIS 60 2HD HIS 60 7.864 -6.784 8.279 738 HE1 HIS 60 1HE HIS 60 5.204 -8.432 5.460 739 QB HIS 60 QB HIS 60 10.056 -8.509 6.575 740 H HIS 61 H HIS 61 8.552 -5.381 4.875 741 HA HIS 61 HA HIS 61 8.810 -3.560 7.126 742 1HB HIS 61 2HB HIS 61 9.984 -2.525 5.169 743 2HB HIS 61 1HB HIS 61 8.498 -2.664 4.242 744 HD1 HIS 61 1HD HIS 61 6.510 -0.985 4.944 745 HD2 HIS 61 2HD HIS 61 10.135 -0.422 6.904 746 HE1 HIS 61 1HE HIS 61 6.376 1.270 6.024 747 QB HIS 61 QB HIS 61 9.241 -2.594 4.705 748 H HIS 62 H HIS 62 6.817 -2.892 7.794 749 HA HIS 62 HA HIS 62 4.539 -3.799 6.195 750 1HB HIS 62 2HB HIS 62 4.931 -5.107 8.348 751 2HB HIS 62 1HB HIS 62 4.613 -3.627 9.230 752 HD1 HIS 62 1HD HIS 62 2.930 -6.514 7.684 753 HD2 HIS 62 2HD HIS 62 1.880 -2.708 8.966 754 HE1 HIS 62 1HE HIS 62 0.438 -6.515 7.896 755 QB HIS 62 QB HIS 62 4.772 -4.367 8.789 756 H HIS 63 H HIS 63 4.692 -1.807 9.135 757 HA HIS 63 HA HIS 63 4.251 0.640 7.648 758 1HB HIS 63 2HB HIS 63 2.272 -0.494 9.646 759 2HB HIS 63 1HB HIS 63 2.348 1.218 9.288 760 HD1 HIS 63 1HD HIS 63 0.300 -1.513 8.523 761 HD2 HIS 63 2HD HIS 63 2.105 1.420 6.197 762 HE1 HIS 63 1HE HIS 63 -1.062 -1.350 6.406 763 QB HIS 63 QB HIS 63 2.310 0.362 9.467 764 H HIS 64 H HIS 64 4.021 2.472 9.513 765 HA HIS 64 HA HIS 64 5.911 1.771 11.571 766 1HB HIS 64 2HB HIS 64 5.394 4.334 10.090 767 2HB HIS 64 1HB HIS 64 6.145 4.327 11.673 768 HD1 HIS 64 1HD HIS 64 8.259 2.257 11.540 769 HD2 HIS 64 2HD HIS 64 7.301 4.580 8.232 770 HE1 HIS 64 1HE HIS 64 10.271 2.174 10.035 771 QB HIS 64 QB HIS 64 5.769 4.331 10.882 No H/Q in entry = 771 Start of MODEL 6 1 H1 MET 1 2HT MET 1 12.917 -9.279 1.560 2 H2 MET 1 1HT MET 1 14.383 -8.513 1.568 3 H3 MET 1 3HT MET 1 13.554 -8.725 3.023 4 HA MET 1 HA MET 1 11.795 -7.277 2.225 5 1HB MET 1 2HB MET 1 13.760 -6.326 3.438 6 2HB MET 1 1HB MET 1 14.551 -6.057 1.895 7 1HG MET 1 2HG MET 1 12.825 -4.470 1.265 8 2HG MET 1 1HG MET 1 11.977 -4.777 2.777 9 1HE MET 1 1HE MET 1 12.988 -4.184 5.185 10 2HE MET 1 3HE MET 1 14.517 -4.997 4.835 11 3HE MET 1 2HE MET 1 14.511 -3.336 5.422 12 QB MET 1 QB MET 1 14.155 -6.192 2.666 13 QG MET 1 QG MET 1 12.401 -4.624 2.021 14 ME MET 1 QE MET 1 14.005 -4.172 5.148 15 H ASN 2 H ASN 2 10.655 -7.288 0.364 16 HA ASN 2 HA ASN 2 12.055 -6.648 -2.134 17 1HB ASN 2 2HB ASN 2 10.100 -8.915 -1.687 18 2HB ASN 2 1HB ASN 2 10.487 -8.278 -3.275 19 1HD2 ASN 2 1HD2 ASN 2 10.876 -10.945 -2.132 20 2HD2 ASN 2 2HD2 ASN 2 12.553 -11.283 -2.284 21 QB ASN 2 QB ASN 2 10.293 -8.597 -2.481 22 QD ASN 2 QD2 ASN 2 11.714 -11.114 -2.208 23 H VAL 3 H VAL 3 11.089 -4.999 -3.132 24 HA VAL 3 HA VAL 3 8.692 -3.904 -2.110 25 HB VAL 3 HB VAL 3 8.752 -2.276 -3.922 26 1HG1 VAL 3 3HG1 VAL 3 11.446 -2.760 -2.679 27 2HG1 VAL 3 2HG1 VAL 3 10.937 -1.247 -3.429 28 3HG1 VAL 3 1HG1 VAL 3 10.109 -1.844 -1.989 29 1HG2 VAL 3 3HG2 VAL 3 9.514 -3.705 -5.763 30 2HG2 VAL 3 2HG2 VAL 3 10.530 -2.270 -5.621 31 3HG2 VAL 3 1HG2 VAL 3 11.108 -3.822 -5.021 32 MG1 VAL 3 QG1 VAL 3 10.831 -1.950 -2.699 33 MG2 VAL 3 QG2 VAL 3 10.384 -3.266 -5.468 34 QG VAL 3 QQG VAL 3 10.607 -2.608 -4.084 35 H THR 4 H THR 4 9.335 -6.187 -4.609 36 HA THR 4 HA THR 4 6.914 -5.932 -5.988 37 HB THR 4 HB THR 4 8.749 -7.271 -6.938 38 HG1 THR 4 1HG THR 4 6.842 -7.779 -7.821 39 1HG2 THR 4 1HG2 THR 4 8.084 -9.265 -4.777 40 2HG2 THR 4 3HG2 THR 4 9.134 -9.593 -6.158 41 3HG2 THR 4 2HG2 THR 4 9.596 -8.367 -4.975 42 MG THR 4 QG2 THR 4 8.938 -9.075 -5.303 43 H LYS 5 H LYS 5 7.637 -7.560 -2.990 44 HA LYS 5 HA LYS 5 5.029 -8.633 -2.920 45 1HB LYS 5 2HB LYS 5 7.327 -8.845 -1.041 46 2HB LYS 5 1HB LYS 5 5.710 -9.162 -0.418 47 1HG LYS 5 2HG LYS 5 6.866 -10.525 -2.844 48 2HG LYS 5 1HG LYS 5 6.910 -11.198 -1.211 49 1HD LYS 5 2HD LYS 5 4.490 -11.225 -1.101 50 2HD LYS 5 1HD LYS 5 4.342 -10.390 -2.634 51 1HE LYS 5 2HE LYS 5 5.352 -12.351 -3.748 52 2HE LYS 5 1HE LYS 5 5.416 -13.174 -2.187 53 1HZ LYS 5 1HZ LYS 5 2.910 -12.205 -3.505 54 2HZ LYS 5 3HZ LYS 5 3.431 -13.809 -3.465 55 3HZ LYS 5 2HZ LYS 5 3.014 -13.032 -2.049 56 QB LYS 5 QB LYS 5 6.518 -9.003 -0.729 57 QD LYS 5 QD LYS 5 4.416 -10.807 -1.867 58 QG LYS 5 QG LYS 5 6.888 -10.861 -2.027 59 QE LYS 5 QE LYS 5 5.384 -12.763 -2.967 60 QZ LYS 5 QZ LYS 5 3.119 -13.015 -3.006 61 H LEU 6 H LEU 6 6.456 -5.743 -1.843 62 HA LEU 6 HA LEU 6 4.287 -4.920 -0.204 63 1HB LEU 6 2HB LEU 6 6.560 -3.790 -0.299 64 2HB LEU 6 1HB LEU 6 6.094 -3.218 -1.895 65 HG LEU 6 HG LEU 6 4.378 -1.784 -0.967 66 1HD1 LEU 6 2HD1 LEU 6 5.136 -2.963 1.703 67 2HD1 LEU 6 1HD1 LEU 6 4.060 -1.584 1.456 68 3HD1 LEU 6 3HD1 LEU 6 3.607 -3.174 0.851 69 1HD2 LEU 6 1HD2 LEU 6 6.682 -0.933 -1.034 70 2HD2 LEU 6 3HD2 LEU 6 5.765 -0.254 0.307 71 3HD2 LEU 6 2HD2 LEU 6 6.941 -1.532 0.602 72 MD1 LEU 6 QD1 LEU 6 4.268 -2.574 1.337 73 MD2 LEU 6 QD2 LEU 6 6.463 -0.906 -0.041 74 QB LEU 6 QB LEU 6 6.327 -3.504 -1.097 75 QD LEU 6 QQD LEU 6 5.365 -1.740 0.648 76 H ASN 7 H ASN 7 5.097 -4.530 -3.639 77 HA ASN 7 HA ASN 7 2.833 -3.216 -4.549 78 1HB ASN 7 2HB ASN 7 4.600 -5.262 -5.910 79 2HB ASN 7 1HB ASN 7 3.197 -4.613 -6.734 80 1HD2 ASN 7 1HD2 ASN 7 3.309 -2.575 -7.566 81 2HD2 ASN 7 2HD2 ASN 7 4.749 -1.629 -7.627 82 QB ASN 7 QB ASN 7 3.898 -4.938 -6.322 83 QD ASN 7 QD2 ASN 7 4.029 -2.102 -7.596 84 H ASP 8 H ASP 8 3.449 -6.613 -4.094 85 HA ASP 8 HA ASP 8 1.102 -7.844 -4.929 86 1HB ASP 8 2HB ASP 8 3.176 -9.001 -4.256 87 2HB ASP 8 1HB ASP 8 2.870 -8.546 -2.594 88 QB ASP 8 QB ASP 8 3.023 -8.773 -3.425 89 H ARG 9 H ARG 9 1.890 -6.398 -1.803 90 HA ARG 9 HA ARG 9 -0.498 -7.112 -0.449 91 1HB ARG 9 2HB ARG 9 1.378 -4.789 0.084 92 2HB ARG 9 1HB ARG 9 0.106 -5.315 1.167 93 1HG ARG 9 2HG ARG 9 1.236 -7.456 1.475 94 2HG ARG 9 1HG ARG 9 2.488 -6.955 0.340 95 1HD ARG 9 2HD ARG 9 3.243 -6.675 2.635 96 2HD ARG 9 1HD ARG 9 3.104 -5.112 1.836 97 HE ARG 9 HE ARG 9 0.725 -5.784 3.208 98 1HH1 ARG 9 1HH1 ARG 9 4.017 -4.628 3.870 99 2HH1 ARG 9 2HH1 ARG 9 3.596 -3.813 5.294 100 1HH2 ARG 9 1HH2 ARG 9 0.156 -4.708 5.153 101 2HH2 ARG 9 2HH2 ARG 9 1.328 -3.850 6.062 102 QB ARG 9 QB ARG 9 0.742 -5.052 0.625 103 QG ARG 9 QG ARG 9 1.862 -7.205 0.907 104 QD ARG 9 QD ARG 9 3.173 -5.894 2.236 105 QH1 ARG 9 QH1 ARG 9 3.806 -4.220 4.582 106 QH2 ARG 9 QH2 ARG 9 0.742 -4.279 5.608 107 H ILE 10 H ILE 10 0.477 -4.295 -2.281 108 HA ILE 10 HA ILE 10 -1.777 -2.668 -1.873 109 HB ILE 10 HB ILE 10 -0.049 -2.847 -4.370 110 1HG1 ILE 10 2HG1 ILE 10 0.202 -1.052 -1.971 111 2HG1 ILE 10 1HG1 ILE 10 1.249 -2.431 -2.300 112 1HG2 ILE 10 3HG2 ILE 10 -2.146 -1.624 -4.754 113 2HG2 ILE 10 2HG2 ILE 10 -1.793 -0.584 -3.373 114 3HG2 ILE 10 1HG2 ILE 10 -0.755 -0.535 -4.797 115 1HD1 ILE 10 2HD1 ILE 10 2.007 -1.302 -4.357 116 2HD1 ILE 10 1HD1 ILE 10 1.001 0.079 -3.938 117 3HD1 ILE 10 3HD1 ILE 10 2.352 -0.371 -2.897 118 MG ILE 10 QG2 ILE 10 -1.565 -0.915 -4.308 119 MD ILE 10 QD1 ILE 10 1.787 -0.531 -3.731 120 QG ILE 10 QG1 ILE 10 0.726 -1.741 -2.135 121 H GLU 11 H GLU 11 -1.051 -5.158 -4.204 122 HA GLU 11 HA GLU 11 -3.214 -4.878 -5.925 123 1HB GLU 11 2HB GLU 11 -1.108 -6.229 -6.249 124 2HB GLU 11 1HB GLU 11 -1.844 -7.467 -5.247 125 1HG GLU 11 2HG GLU 11 -2.089 -7.955 -7.622 126 2HG GLU 11 1HG GLU 11 -3.654 -7.707 -6.844 127 QB GLU 11 QB GLU 11 -1.476 -6.848 -5.748 128 QG GLU 11 QG GLU 11 -2.871 -7.831 -7.233 129 H ALA 12 H ALA 12 -2.868 -6.833 -3.007 130 HA ALA 12 HA ALA 12 -5.455 -8.032 -3.226 131 1HB ALA 12 3HB ALA 12 -3.610 -9.095 -1.992 132 2HB ALA 12 1HB ALA 12 -5.041 -8.883 -0.981 133 3HB ALA 12 2HB ALA 12 -3.666 -7.792 -0.805 134 MB ALA 12 QB ALA 12 -4.106 -8.590 -1.259 135 H LYS 13 H LYS 13 -4.246 -5.088 -1.927 136 HA LYS 13 HA LYS 13 -6.573 -4.688 -0.294 137 1HB LYS 13 2HB LYS 13 -4.319 -2.797 -0.974 138 2HB LYS 13 1HB LYS 13 -5.678 -2.344 0.038 139 1HG LYS 13 2HG LYS 13 -3.668 -4.521 0.609 140 2HG LYS 13 1HG LYS 13 -3.754 -2.946 1.394 141 1HD LYS 13 2HD LYS 13 -5.931 -5.057 1.513 142 2HD LYS 13 1HD LYS 13 -4.725 -4.787 2.749 143 1HE LYS 13 2HE LYS 13 -6.673 -2.671 1.835 144 2HE LYS 13 1HE LYS 13 -6.959 -3.734 3.199 145 1HZ LYS 13 1HZ LYS 13 -4.692 -1.813 2.979 146 2HZ LYS 13 3HZ LYS 13 -6.101 -1.604 3.869 147 3HZ LYS 13 2HZ LYS 13 -5.007 -2.811 4.299 148 QB LYS 13 QB LYS 13 -4.998 -2.571 -0.468 149 QD LYS 13 QD LYS 13 -5.328 -4.922 2.131 150 QG LYS 13 QG LYS 13 -3.711 -3.734 1.002 151 QE LYS 13 QE LYS 13 -6.816 -3.203 2.517 152 QZ LYS 13 QZ LYS 13 -5.267 -2.076 3.716 153 H LYS 14 H LYS 14 -5.548 -3.828 -3.462 154 HA LYS 14 HA LYS 14 -7.534 -1.986 -4.185 155 1HB LYS 14 2HB LYS 14 -6.425 -4.244 -5.847 156 2HB LYS 14 1HB LYS 14 -7.274 -2.845 -6.461 157 1HG LYS 14 2HG LYS 14 -5.445 -1.415 -5.894 158 2HG LYS 14 1HG LYS 14 -4.627 -2.732 -5.039 159 1HD LYS 14 2HD LYS 14 -4.544 -4.018 -7.068 160 2HD LYS 14 1HD LYS 14 -5.331 -2.724 -7.967 161 1HE LYS 14 2HE LYS 14 -3.393 -1.266 -7.462 162 2HE LYS 14 1HE LYS 14 -2.631 -2.613 -6.615 163 1HZ LYS 14 3HZ LYS 14 -3.376 -2.590 -9.486 164 2HZ LYS 14 2HZ LYS 14 -1.807 -2.412 -8.891 165 3HZ LYS 14 1HZ LYS 14 -2.624 -3.872 -8.689 166 QB LYS 14 QB LYS 14 -6.850 -3.545 -6.154 167 QD LYS 14 QD LYS 14 -4.938 -3.371 -7.518 168 QG LYS 14 QG LYS 14 -5.036 -2.074 -5.466 169 QE LYS 14 QE LYS 14 -3.012 -1.940 -7.038 170 QZ LYS 14 QZ LYS 14 -2.602 -2.958 -9.022 171 H LYS 15 H LYS 15 -7.449 -5.527 -4.463 172 HA LYS 15 HA LYS 15 -10.086 -5.703 -5.433 173 1HB LYS 15 2HB LYS 15 -9.867 -8.139 -5.289 174 2HB LYS 15 1HB LYS 15 -8.449 -7.398 -6.001 175 1HG LYS 15 2HG LYS 15 -7.673 -9.117 -4.681 176 2HG LYS 15 1HG LYS 15 -7.332 -7.629 -3.799 177 1HD LYS 15 2HD LYS 15 -8.113 -9.249 -2.239 178 2HD LYS 15 1HD LYS 15 -9.355 -8.033 -2.432 179 1HE LYS 15 2HE LYS 15 -10.380 -10.228 -2.370 180 2HE LYS 15 1HE LYS 15 -10.589 -9.518 -3.964 181 1HZ LYS 15 1HZ LYS 15 -8.555 -11.566 -3.235 182 2HZ LYS 15 3HZ LYS 15 -9.970 -11.850 -4.080 183 3HZ LYS 15 2HZ LYS 15 -8.749 -10.931 -4.767 184 QB LYS 15 QB LYS 15 -9.158 -7.768 -5.645 185 QD LYS 15 QD LYS 15 -8.734 -8.641 -2.335 186 QG LYS 15 QG LYS 15 -7.503 -8.373 -4.240 187 QE LYS 15 QE LYS 15 -10.484 -9.873 -3.167 188 QZ LYS 15 QZ LYS 15 -9.091 -11.449 -4.028 189 H GLU 16 H GLU 16 -8.817 -5.819 -2.237 190 HA GLU 16 HA GLU 16 -11.178 -6.739 -0.991 191 1HB GLU 16 2HB GLU 16 -8.922 -6.808 0.051 192 2HB GLU 16 1HB GLU 16 -8.931 -5.057 0.137 193 1HG GLU 16 2HG GLU 16 -10.784 -5.109 1.683 194 2HG GLU 16 1HG GLU 16 -10.875 -6.865 1.550 195 QB GLU 16 QB GLU 16 -8.927 -5.933 0.094 196 QG GLU 16 QG GLU 16 -10.829 -5.987 1.617 197 H LEU 17 H LEU 17 -9.833 -3.540 -1.675 198 HA LEU 17 HA LEU 17 -11.796 -1.984 -0.457 199 1HB LEU 17 2HB LEU 17 -9.575 -1.172 -1.256 200 2HB LEU 17 1HB LEU 17 -10.109 -1.376 -2.901 201 HG LEU 17 HG LEU 17 -10.007 0.996 -2.044 202 1HD1 LEU 17 1HD1 LEU 17 -12.689 0.089 -3.034 203 2HD1 LEU 17 3HD1 LEU 17 -12.092 1.746 -3.055 204 3HD1 LEU 17 2HD1 LEU 17 -11.295 0.508 -4.031 205 1HD2 LEU 17 3HD2 LEU 17 -10.855 0.594 0.175 206 2HD2 LEU 17 2HD2 LEU 17 -11.820 1.818 -0.651 207 3HD2 LEU 17 1HD2 LEU 17 -12.437 0.170 -0.475 208 MD1 LEU 17 QD1 LEU 17 -12.025 0.781 -3.373 209 MD2 LEU 17 QD2 LEU 17 -11.704 0.861 -0.317 210 QB LEU 17 QB LEU 17 -9.842 -1.274 -2.079 211 QD LEU 17 QQD LEU 17 -11.864 0.821 -1.845 212 H ILE 18 H ILE 18 -11.534 -3.163 -3.785 213 HA ILE 18 HA ILE 18 -13.867 -2.069 -4.844 214 HB ILE 18 HB ILE 18 -12.612 -4.755 -5.519 215 1HG1 ILE 18 2HG1 ILE 18 -12.262 -2.066 -6.867 216 2HG1 ILE 18 1HG1 ILE 18 -11.121 -2.769 -5.730 217 1HG2 ILE 18 2HG2 ILE 18 -14.907 -4.625 -6.370 218 2HG2 ILE 18 1HG2 ILE 18 -14.547 -3.078 -7.136 219 3HG2 ILE 18 3HG2 ILE 18 -13.745 -4.546 -7.695 220 1HD1 ILE 18 1HD1 ILE 18 -11.907 -3.932 -8.386 221 2HD1 ILE 18 3HD1 ILE 18 -10.403 -3.079 -8.031 222 3HD1 ILE 18 2HD1 ILE 18 -10.742 -4.625 -7.257 223 MG ILE 18 QG2 ILE 18 -14.400 -4.083 -7.067 224 MD ILE 18 QD1 ILE 18 -11.017 -3.879 -7.891 225 QG ILE 18 QG1 ILE 18 -11.691 -2.417 -6.299 226 H TYR 19 H TYR 19 -13.397 -5.199 -3.277 227 HA TYR 19 HA TYR 19 -16.012 -6.177 -3.404 228 1HB TYR 19 2HB TYR 19 -14.059 -7.558 -2.878 229 2HB TYR 19 1HB TYR 19 -13.834 -6.691 -1.371 230 HD1 TYR 19 1HD TYR 19 -16.290 -8.847 -3.162 231 HD2 TYR 19 2HD TYR 19 -14.787 -7.526 0.595 232 HE1 TYR 19 1HE TYR 19 -17.666 -10.533 -2.017 233 HE2 TYR 19 2HE TYR 19 -16.169 -9.206 1.742 234 HH TYR 19 HH TYR 19 -18.129 -10.543 1.379 235 QB TYR 19 QB TYR 19 -13.946 -7.124 -2.124 236 QD TYR 19 QD TYR 19 -15.539 -8.187 -1.284 237 QE TYR 19 QE TYR 19 -16.918 -9.869 -0.137 238 QR TYR 19 QR TYR 19 -16.228 -9.028 -0.711 239 H LEU 20 H LEU 20 -14.412 -4.182 -0.980 240 HA LEU 20 HA LEU 20 -16.608 -4.172 0.811 241 1HB LEU 20 2HB LEU 20 -14.246 -2.310 0.618 242 2HB LEU 20 1HB LEU 20 -15.385 -2.339 1.948 243 HG LEU 20 HG LEU 20 -13.600 -4.643 1.156 244 1HD1 LEU 20 2HD1 LEU 20 -13.367 -2.726 3.451 245 2HD1 LEU 20 1HD1 LEU 20 -12.376 -4.161 3.196 246 3HD1 LEU 20 3HD1 LEU 20 -12.298 -2.824 2.052 247 1HD2 LEU 20 2HD2 LEU 20 -15.424 -4.280 3.528 248 2HD2 LEU 20 1HD2 LEU 20 -15.653 -5.416 2.200 249 3HD2 LEU 20 3HD2 LEU 20 -14.292 -5.614 3.305 250 MD1 LEU 20 QD1 LEU 20 -12.680 -3.237 2.900 251 MD2 LEU 20 QD2 LEU 20 -15.123 -5.104 3.011 252 QB LEU 20 QB LEU 20 -14.815 -2.324 1.283 253 QD LEU 20 QQD LEU 20 -13.902 -4.170 2.955 254 H VAL 21 H VAL 21 -15.654 -2.073 -1.826 255 HA VAL 21 HA VAL 21 -17.650 -0.119 -1.309 256 HB VAL 21 HB VAL 21 -16.348 -0.801 -3.975 257 1HG1 VAL 21 2HG1 VAL 21 -18.458 0.424 -4.270 258 2HG1 VAL 21 1HG1 VAL 21 -17.903 1.658 -3.149 259 3HG1 VAL 21 3HG1 VAL 21 -17.083 1.442 -4.696 260 1HG2 VAL 21 3HG2 VAL 21 -14.749 -0.088 -2.289 261 2HG2 VAL 21 2HG2 VAL 21 -14.930 1.142 -3.542 262 3HG2 VAL 21 1HG2 VAL 21 -15.709 1.356 -1.974 263 MG1 VAL 21 QG1 VAL 21 -17.815 1.175 -4.038 264 MG2 VAL 21 QG2 VAL 21 -15.129 0.803 -2.602 265 QG VAL 21 QQG VAL 21 -16.472 0.989 -3.320 266 H GLU 22 H GLU 22 -17.659 -3.149 -3.035 267 HA GLU 22 HA GLU 22 -20.181 -2.969 -4.277 268 1HB GLU 22 2HB GLU 22 -18.820 -5.409 -3.114 269 2HB GLU 22 1HB GLU 22 -20.182 -5.444 -4.215 270 1HG GLU 22 2HG GLU 22 -17.471 -4.320 -4.870 271 2HG GLU 22 1HG GLU 22 -18.012 -5.945 -5.274 272 QB GLU 22 QB GLU 22 -19.501 -5.427 -3.664 273 QG GLU 22 QG GLU 22 -17.741 -5.133 -5.072 274 H LYS 23 H LYS 23 -19.231 -4.200 -1.108 275 HA LYS 23 HA LYS 23 -21.954 -4.800 -0.385 276 1HB LYS 23 2HB LYS 23 -19.417 -5.046 1.209 277 2HB LYS 23 1HB LYS 23 -20.990 -5.611 1.735 278 1HG LYS 23 2HG LYS 23 -19.442 -6.608 -0.651 279 2HG LYS 23 1HG LYS 23 -19.664 -7.457 0.876 280 1HD LYS 23 2HD LYS 23 -22.117 -7.476 0.451 281 2HD LYS 23 1HD LYS 23 -21.818 -6.722 -1.115 282 1HE LYS 23 2HE LYS 23 -22.099 -9.062 -1.461 283 2HE LYS 23 1HE LYS 23 -20.397 -8.673 -1.709 284 1HZ LYS 23 3HZ LYS 23 -19.995 -9.492 0.612 285 2HZ LYS 23 2HZ LYS 23 -21.614 -9.919 0.683 286 3HZ LYS 23 1HZ LYS 23 -20.620 -10.686 -0.415 287 QB LYS 23 QB LYS 23 -20.204 -5.328 1.472 288 QD LYS 23 QD LYS 23 -21.968 -7.099 -0.332 289 QG LYS 23 QG LYS 23 -19.553 -7.032 0.113 290 QE LYS 23 QE LYS 23 -21.248 -8.867 -1.585 291 QZ LYS 23 QZ LYS 23 -20.743 -10.032 0.294 292 H TYR 24 H TYR 24 -19.615 -2.359 0.631 293 HA TYR 24 HA TYR 24 -21.608 -1.336 2.506 294 1HB TYR 24 2HB TYR 24 -18.673 -0.742 2.201 295 2HB TYR 24 1HB TYR 24 -19.717 0.066 3.362 296 HD1 TYR 24 1HD TYR 24 -20.689 -1.222 5.234 297 HD2 TYR 24 2HD TYR 24 -17.862 -2.960 2.580 298 HE1 TYR 24 1HE TYR 24 -20.296 -3.020 6.847 299 HE2 TYR 24 2HE TYR 24 -17.462 -4.777 4.192 300 HH TYR 24 HH TYR 24 -19.488 -5.345 6.810 301 QB TYR 24 QB TYR 24 -19.195 -0.338 2.782 302 QD TYR 24 QD TYR 24 -19.275 -2.091 3.907 303 QE TYR 24 QE TYR 24 -18.879 -3.899 5.519 304 QR TYR 24 QR TYR 24 -19.077 -2.995 4.713 305 H GLY 25 H GLY 25 -19.695 -0.319 -0.234 306 1HA GLY 25 1HA GLY 25 -21.573 1.895 -0.628 307 2HA GLY 25 2HA GLY 25 -20.470 1.248 -1.840 308 QA GLY 25 QA GLY 25 -21.021 1.571 -1.234 309 H PHE 26 H PHE 26 -19.330 3.053 -2.394 310 HA PHE 26 HA PHE 26 -17.479 3.989 -0.390 311 1HB PHE 26 2HB PHE 26 -16.799 3.429 -2.787 312 2HB PHE 26 1HB PHE 26 -17.672 4.871 -3.282 313 HD1 PHE 26 1HD PHE 26 -16.875 7.120 -2.402 314 HD2 PHE 26 2HD PHE 26 -14.637 3.540 -1.958 315 HE1 PHE 26 1HE PHE 26 -14.850 8.447 -1.978 316 HE2 PHE 26 2HE PHE 26 -12.612 4.855 -1.527 317 HZ PHE 26 HZ PHE 26 -12.712 7.307 -1.534 318 QB PHE 26 QB PHE 26 -17.236 4.150 -3.035 319 QD PHE 26 QD PHE 26 -15.756 5.330 -2.180 320 QE PHE 26 QE PHE 26 -13.731 6.651 -1.752 321 QR PHE 26 QR PHE 26 -14.337 6.254 -1.880 322 H THR 27 H THR 27 -18.722 5.160 0.936 323 HA THR 27 HA THR 27 -19.188 7.831 0.106 324 HB THR 27 HB THR 27 -21.319 6.979 -0.662 325 HG1 THR 27 1HG THR 27 -21.151 8.969 0.748 326 1HG2 THR 27 2HG2 THR 27 -21.468 4.923 0.670 327 2HG2 THR 27 1HG2 THR 27 -21.742 5.879 2.128 328 3HG2 THR 27 3HG2 THR 27 -22.944 5.875 0.834 329 MG THR 27 QG2 THR 27 -22.052 5.559 1.211 330 H HIS 28 H HIS 28 -19.568 5.413 2.667 331 HA HIS 28 HA HIS 28 -19.327 7.537 4.574 332 1HB HIS 28 2HB HIS 28 -19.605 5.746 6.312 333 2HB HIS 28 1HB HIS 28 -20.937 5.890 5.190 334 HD1 HIS 28 1HD HIS 28 -21.833 3.661 4.538 335 HD2 HIS 28 2HD HIS 28 -17.749 3.549 5.269 336 HE1 HIS 28 1HE HIS 28 -21.155 1.264 4.305 337 QB HIS 28 QB HIS 28 -20.271 5.818 5.751 338 H HIS 29 H HIS 29 -17.819 7.296 6.415 339 HA HIS 29 HA HIS 29 -15.280 7.805 5.402 340 1HB HIS 29 2HB HIS 29 -16.075 7.261 8.258 341 2HB HIS 29 1HB HIS 29 -14.545 7.955 7.749 342 HD1 HIS 29 1HD HIS 29 -17.971 8.917 8.674 343 HD2 HIS 29 2HD HIS 29 -14.833 10.531 6.467 344 HE1 HIS 29 1HE HIS 29 -18.484 11.348 8.407 345 QB HIS 29 QB HIS 29 -15.310 7.608 8.004 346 H LYS 30 H LYS 30 -16.508 4.932 6.978 347 HA LYS 30 HA LYS 30 -14.201 3.536 7.517 348 1HB LYS 30 2HB LYS 30 -16.284 2.658 8.228 349 2HB LYS 30 1HB LYS 30 -16.924 2.576 6.607 350 1HG LYS 30 2HG LYS 30 -15.302 0.824 6.098 351 2HG LYS 30 1HG LYS 30 -14.783 0.826 7.791 352 1HD LYS 30 2HD LYS 30 -17.087 0.280 8.466 353 2HD LYS 30 1HD LYS 30 -17.581 0.288 6.771 354 1HE LYS 30 2HE LYS 30 -17.276 -1.985 7.441 355 2HE LYS 30 1HE LYS 30 -15.958 -1.556 6.357 356 1HZ LYS 30 1HZ LYS 30 -14.542 -1.230 8.365 357 2HZ LYS 30 3HZ LYS 30 -15.824 -1.738 9.317 358 3HZ LYS 30 2HZ LYS 30 -15.136 -2.802 8.249 359 QB LYS 30 QB LYS 30 -16.604 2.617 7.418 360 QD LYS 30 QD LYS 30 -17.334 0.284 7.618 361 QG LYS 30 QG LYS 30 -15.043 0.825 6.945 362 QE LYS 30 QE LYS 30 -16.617 -1.771 6.899 363 QZ LYS 30 QZ LYS 30 -15.167 -1.923 8.644 364 H VAL 31 H VAL 31 -15.957 3.568 4.426 365 HA VAL 31 HA VAL 31 -14.100 1.821 3.170 366 HB VAL 31 HB VAL 31 -16.291 3.522 1.935 367 1HG1 VAL 31 3HG1 VAL 31 -14.595 2.936 0.268 368 2HG1 VAL 31 2HG1 VAL 31 -14.725 1.236 0.726 369 3HG1 VAL 31 1HG1 VAL 31 -16.098 2.058 -0.012 370 1HG2 VAL 31 3HG2 VAL 31 -17.116 1.851 3.501 371 2HG2 VAL 31 2HG2 VAL 31 -17.546 1.425 1.843 372 3HG2 VAL 31 1HG2 VAL 31 -16.217 0.595 2.654 373 MG1 VAL 31 QG1 VAL 31 -15.139 2.077 0.328 374 MG2 VAL 31 QG2 VAL 31 -16.960 1.290 2.666 375 QG VAL 31 QQG VAL 31 -16.050 1.684 1.497 376 H ILE 32 H ILE 32 -14.589 5.297 3.220 377 HA ILE 32 HA ILE 32 -12.747 5.935 1.168 378 HB ILE 32 HB ILE 32 -13.540 7.665 3.543 379 1HG1 ILE 32 2HG1 ILE 32 -14.761 7.519 0.773 380 2HG1 ILE 32 1HG1 ILE 32 -15.483 6.843 2.224 381 1HG2 ILE 32 3HG2 ILE 32 -11.547 8.487 2.363 382 2HG2 ILE 32 2HG2 ILE 32 -12.415 8.410 0.832 383 3HG2 ILE 32 1HG2 ILE 32 -12.925 9.551 2.075 384 1HD1 ILE 32 3HD1 ILE 32 -14.938 9.762 1.722 385 2HD1 ILE 32 2HD1 ILE 32 -16.507 8.961 1.628 386 3HD1 ILE 32 1HD1 ILE 32 -15.669 9.086 3.175 387 MG ILE 32 QG2 ILE 32 -12.295 8.816 1.757 388 MD ILE 32 QD1 ILE 32 -15.705 9.270 2.175 389 QG ILE 32 QG1 ILE 32 -15.122 7.181 1.498 390 H SER 33 H SER 33 -12.386 5.462 4.643 391 HA SER 33 HA SER 33 -9.712 6.236 4.828 392 1HB SER 33 2HB SER 33 -11.283 4.295 6.519 393 2HB SER 33 1HB SER 33 -9.718 4.995 6.968 394 HG SER 33 HG SER 33 -11.852 5.982 7.673 395 QB SER 33 QB SER 33 -10.501 4.645 6.743 396 H PHE 34 H PHE 34 -11.168 3.237 3.687 397 HA PHE 34 HA PHE 34 -8.771 1.694 3.870 398 1HB PHE 34 2HB PHE 34 -11.134 1.318 2.025 399 2HB PHE 34 1HB PHE 34 -9.846 0.141 2.255 400 HD1 PHE 34 1HD PHE 34 -13.010 0.265 2.690 401 HD2 PHE 34 2HD PHE 34 -9.603 0.204 5.217 402 HE1 PHE 34 1HE PHE 34 -14.370 -0.732 4.487 403 HE2 PHE 34 2HE PHE 34 -10.946 -0.804 7.012 404 HZ PHE 34 HZ PHE 34 -13.332 -1.266 6.651 405 QB PHE 34 QB PHE 34 -10.490 0.729 2.140 406 QD PHE 34 QD PHE 34 -11.306 0.234 3.954 407 QE PHE 34 QE PHE 34 -12.658 -0.768 5.750 408 QR PHE 34 QR PHE 34 -12.252 -0.467 5.212 409 H SER 35 H SER 35 -10.219 3.737 1.377 410 HA SER 35 HA SER 35 -8.370 3.207 -0.652 411 1HB SER 35 2HB SER 35 -9.923 5.739 -0.107 412 2HB SER 35 1HB SER 35 -9.200 5.270 -1.651 413 HG SER 35 HG SER 35 -10.526 3.411 -1.591 414 QB SER 35 QB SER 35 -9.562 5.505 -0.879 415 H GLN 36 H GLN 36 -8.284 5.352 2.094 416 HA GLN 36 HA GLN 36 -5.994 6.840 1.384 417 1HB GLN 36 2HB GLN 36 -7.026 6.111 4.117 418 2HB GLN 36 1HB GLN 36 -5.770 7.300 3.809 419 1HG GLN 36 2HG GLN 36 -7.393 8.654 2.562 420 2HG GLN 36 1HG GLN 36 -8.641 7.457 2.922 421 1HE2 GLN 36 1HE2 GLN 36 -9.880 8.917 4.081 422 2HE2 GLN 36 2HE2 GLN 36 -9.426 9.480 5.638 423 QB GLN 36 QB GLN 36 -6.398 6.706 3.963 424 QG GLN 36 QG GLN 36 -8.017 8.055 2.742 425 QE GLN 36 QE2 GLN 36 -9.653 9.199 4.859 426 H GLU 37 H GLU 37 -6.423 3.664 2.819 427 HA GLU 37 HA GLU 37 -3.757 3.266 3.674 428 1HB GLU 37 2HB GLU 37 -5.667 1.161 2.641 429 2HB GLU 37 1HB GLU 37 -4.266 0.894 3.661 430 1HG GLU 37 2HG GLU 37 -5.372 2.111 5.477 431 2HG GLU 37 1HG GLU 37 -6.781 2.357 4.439 432 QB GLU 37 QB GLU 37 -4.967 1.027 3.151 433 QG GLU 37 QG GLU 37 -6.076 2.234 4.958 434 H LEU 38 H LEU 38 -5.481 2.556 0.671 435 HA LEU 38 HA LEU 38 -3.343 1.428 -0.775 436 1HB LEU 38 2HB LEU 38 -5.866 2.801 -1.625 437 2HB LEU 38 1HB LEU 38 -4.656 2.423 -2.824 438 HG LEU 38 HG LEU 38 -6.361 0.746 -2.856 439 1HD1 LEU 38 2HD1 LEU 38 -4.091 0.051 -3.298 440 2HD1 LEU 38 1HD1 LEU 38 -3.858 -0.346 -1.603 441 3HD1 LEU 38 3HD1 LEU 38 -5.033 -1.251 -2.563 442 1HD2 LEU 38 1HD2 LEU 38 -7.220 0.974 -0.580 443 2HD2 LEU 38 3HD2 LEU 38 -6.830 -0.708 -0.944 444 3HD2 LEU 38 2HD2 LEU 38 -5.742 0.257 0.059 445 MD1 LEU 38 QD1 LEU 38 -4.327 -0.515 -2.488 446 MD2 LEU 38 QD2 LEU 38 -6.597 0.174 -0.488 447 QB LEU 38 QB LEU 38 -5.261 2.612 -2.225 448 QD LEU 38 QQD LEU 38 -5.462 -0.171 -1.488 449 H ASP 39 H ASP 39 -4.407 4.718 -0.431 450 HA ASP 39 HA ASP 39 -2.675 6.039 -2.164 451 1HB ASP 39 2HB ASP 39 -4.496 7.183 -1.020 452 2HB ASP 39 1HB ASP 39 -3.726 6.911 0.533 453 QB ASP 39 QB ASP 39 -4.111 7.047 -0.243 454 H ARG 40 H ARG 40 -2.201 5.068 1.195 455 HA ARG 40 HA ARG 40 0.405 6.199 1.341 456 1HB ARG 40 2HB ARG 40 -0.774 4.130 3.204 457 2HB ARG 40 1HB ARG 40 0.626 5.142 3.515 458 1HG ARG 40 2HG ARG 40 -2.273 5.915 3.439 459 2HG ARG 40 1HG ARG 40 -1.118 6.111 4.751 460 1HD ARG 40 2HD ARG 40 -1.228 7.635 2.153 461 2HD ARG 40 1HD ARG 40 -1.557 8.254 3.763 462 HE ARG 40 HE ARG 40 0.864 7.699 4.191 463 1HH1 ARG 40 1HH1 ARG 40 -0.409 8.780 1.019 464 2HH1 ARG 40 2HH1 ARG 40 1.058 9.456 0.521 465 1HH2 ARG 40 1HH2 ARG 40 2.903 8.666 3.471 466 2HH2 ARG 40 2HH2 ARG 40 3.004 9.363 1.930 467 QB ARG 40 QB ARG 40 -0.074 4.636 3.360 468 QG ARG 40 QG ARG 40 -1.696 6.013 4.095 469 QD ARG 40 QD ARG 40 -1.393 7.945 2.958 470 QH1 ARG 40 QH1 ARG 40 0.325 9.118 0.770 471 QH2 ARG 40 QH2 ARG 40 2.953 9.015 2.701 472 H LEU 41 H LEU 41 -0.826 2.926 0.857 473 HA LEU 41 HA LEU 41 1.655 1.617 0.900 474 1HB LEU 41 2HB LEU 41 -0.810 0.828 -0.668 475 2HB LEU 41 1HB LEU 41 0.580 -0.181 -0.318 476 HG LEU 41 HG LEU 41 -1.309 0.897 1.765 477 1HD1 LEU 41 2HD1 LEU 41 -1.069 -1.858 0.572 478 2HD1 LEU 41 1HD1 LEU 41 -2.094 -1.409 1.934 479 3HD1 LEU 41 3HD1 LEU 41 -2.403 -0.729 0.338 480 1HD2 LEU 41 3HD2 LEU 41 0.960 -1.091 1.949 481 2HD2 LEU 41 2HD2 LEU 41 0.936 0.532 2.641 482 3HD2 LEU 41 1HD2 LEU 41 -0.166 -0.700 3.249 483 MD1 LEU 41 QD1 LEU 41 -1.855 -1.332 0.948 484 MD2 LEU 41 QD2 LEU 41 0.577 -0.420 2.613 485 QB LEU 41 QB LEU 41 -0.115 0.323 -0.493 486 QD LEU 41 QQD LEU 41 -0.639 -0.876 1.780 487 H LEU 42 H LEU 42 -0.161 3.011 -1.800 488 HA LEU 42 HA LEU 42 1.610 2.431 -3.882 489 1HB LEU 42 2HB LEU 42 -0.579 3.395 -4.286 490 2HB LEU 42 1HB LEU 42 -0.125 4.863 -3.446 491 HG LEU 42 HG LEU 42 1.580 5.273 -5.229 492 1HD1 LEU 42 2HD1 LEU 42 0.204 2.994 -6.627 493 2HD1 LEU 42 1HD1 LEU 42 1.358 4.117 -7.358 494 3HD1 LEU 42 3HD1 LEU 42 1.874 3.040 -6.060 495 1HD2 LEU 42 2HD2 LEU 42 -1.295 5.090 -6.116 496 2HD2 LEU 42 1HD2 LEU 42 -0.539 6.430 -5.243 497 3HD2 LEU 42 3HD2 LEU 42 -0.035 6.059 -6.890 498 MD1 LEU 42 QD1 LEU 42 1.145 3.384 -6.682 499 MD2 LEU 42 QD2 LEU 42 -0.623 5.860 -6.083 500 QB LEU 42 QB LEU 42 -0.352 4.129 -3.866 501 QD LEU 42 QQD LEU 42 0.261 4.622 -6.382 502 H ASN 43 H ASN 43 1.583 5.105 -1.580 503 HA ASN 43 HA ASN 43 3.742 6.489 -2.771 504 1HB ASN 43 2HB ASN 43 2.041 7.536 -1.234 505 2HB ASN 43 1HB ASN 43 2.831 6.709 0.101 506 1HD2 ASN 43 1HD2 ASN 43 4.418 8.179 -2.676 507 2HD2 ASN 43 2HD2 ASN 43 5.267 9.389 -1.787 508 QB ASN 43 QB ASN 43 2.436 7.122 -0.566 509 QD ASN 43 QD2 ASN 43 4.843 8.784 -2.231 510 H LEU 44 H LEU 44 3.506 3.982 -0.334 511 HA LEU 44 HA LEU 44 6.040 4.166 0.805 512 1HB LEU 44 2HB LEU 44 4.365 1.700 0.388 513 2HB LEU 44 1HB LEU 44 5.815 1.751 1.361 514 HG LEU 44 HG LEU 44 3.242 3.220 1.922 515 1HD1 LEU 44 1HD1 LEU 44 3.152 0.809 2.325 516 2HD1 LEU 44 3HD1 LEU 44 4.584 0.930 3.347 517 3HD1 LEU 44 2HD1 LEU 44 3.085 1.726 3.830 518 1HD2 LEU 44 1HD2 LEU 44 5.827 3.151 3.494 519 2HD2 LEU 44 3HD2 LEU 44 5.146 4.558 2.667 520 3HD2 LEU 44 2HD2 LEU 44 4.310 3.852 4.047 521 MD1 LEU 44 QD1 LEU 44 3.607 1.155 3.167 522 MD2 LEU 44 QD2 LEU 44 5.095 3.854 3.403 523 QB LEU 44 QB LEU 44 5.090 1.726 0.875 524 QD LEU 44 QQD LEU 44 4.351 2.504 3.285 525 H LEU 45 H LEU 45 5.079 2.672 -2.203 526 HA LEU 45 HA LEU 45 7.415 1.203 -2.791 527 1HB LEU 45 2HB LEU 45 5.667 2.740 -4.715 528 2HB LEU 45 1HB LEU 45 6.793 1.476 -5.144 529 HG LEU 45 HG LEU 45 4.286 1.095 -3.512 530 1HD1 LEU 45 2HD1 LEU 45 4.925 0.401 -6.377 531 2HD1 LEU 45 1HD1 LEU 45 3.454 -0.045 -5.513 532 3HD1 LEU 45 3HD1 LEU 45 3.810 1.652 -5.828 533 1HD2 LEU 45 1HD2 LEU 45 6.256 -0.904 -4.630 534 2HD2 LEU 45 3HD2 LEU 45 6.034 -0.509 -2.926 535 3HD2 LEU 45 2HD2 LEU 45 4.738 -1.298 -3.826 536 MD1 LEU 45 QD1 LEU 45 4.063 0.669 -5.906 537 MD2 LEU 45 QD2 LEU 45 5.676 -0.904 -3.794 538 QB LEU 45 QB LEU 45 6.230 2.108 -4.929 539 QD LEU 45 QQD LEU 45 4.870 -0.117 -4.850 540 H ILE 46 H ILE 46 6.480 4.481 -3.496 541 HA ILE 46 HA ILE 46 8.840 5.290 -4.858 542 HB ILE 46 HB ILE 46 6.865 7.055 -3.390 543 1HG1 ILE 46 2HG1 ILE 46 6.662 6.059 -6.245 544 2HG1 ILE 46 1HG1 ILE 46 5.704 5.438 -4.912 545 1HG2 ILE 46 2HG2 ILE 46 8.634 7.554 -5.788 546 2HG2 ILE 46 1HG2 ILE 46 7.487 8.712 -5.112 547 3HG2 ILE 46 3HG2 ILE 46 8.883 8.192 -4.164 548 1HD1 ILE 46 1HD1 ILE 46 4.700 7.656 -4.625 549 2HD1 ILE 46 3HD1 ILE 46 5.663 8.244 -5.980 550 3HD1 ILE 46 2HD1 ILE 46 4.438 7.005 -6.241 551 MG ILE 46 QG2 ILE 46 8.335 8.153 -5.021 552 MD ILE 46 QD1 ILE 46 4.934 7.635 -5.615 553 QG ILE 46 QG1 ILE 46 6.183 5.749 -5.578 554 H GLU 47 H GLU 47 7.556 5.721 -1.633 555 HA GLU 47 HA GLU 47 9.480 7.348 -0.497 556 1HB GLU 47 2HB GLU 47 7.159 6.682 0.330 557 2HB GLU 47 1HB GLU 47 7.895 5.210 0.922 558 1HG GLU 47 2HG GLU 47 8.693 7.973 1.830 559 2HG GLU 47 1HG GLU 47 7.478 6.990 2.628 560 QB GLU 47 QB GLU 47 7.527 5.946 0.626 561 QG GLU 47 QG GLU 47 8.086 7.482 2.229 562 H LEU 48 H LEU 48 9.282 3.793 -0.582 563 HA LEU 48 HA LEU 48 11.338 3.068 1.114 564 1HB LEU 48 2HB LEU 48 9.616 1.595 0.018 565 2HB LEU 48 1HB LEU 48 10.544 1.672 -1.453 566 HG LEU 48 HG LEU 48 10.759 -0.475 -0.224 567 1HD1 LEU 48 3HD1 LEU 48 12.549 0.136 -1.725 568 2HD1 LEU 48 2HD1 LEU 48 13.358 1.013 -0.427 569 3HD1 LEU 48 1HD1 LEU 48 13.168 -0.735 -0.322 570 1HD2 LEU 48 3HD2 LEU 48 10.586 0.357 2.035 571 2HD2 LEU 48 2HD2 LEU 48 12.057 -0.590 1.826 572 3HD2 LEU 48 1HD2 LEU 48 12.141 1.172 1.879 573 MD1 LEU 48 QD1 LEU 48 13.025 0.138 -0.825 574 MD2 LEU 48 QD2 LEU 48 11.595 0.313 1.913 575 QB LEU 48 QB LEU 48 10.080 1.633 -0.717 576 QD LEU 48 QQD LEU 48 12.310 0.226 0.544 577 H LYS 49 H LYS 49 11.578 3.588 -2.384 578 HA LYS 49 HA LYS 49 14.403 3.206 -2.360 579 1HB LYS 49 2HB LYS 49 14.319 4.088 -4.689 580 2HB LYS 49 1HB LYS 49 13.349 2.640 -4.403 581 1HG LYS 49 2HG LYS 49 11.353 4.127 -4.226 582 2HG LYS 49 1HG LYS 49 12.385 5.487 -4.652 583 1HD LYS 49 2HD LYS 49 11.926 3.042 -6.360 584 2HD LYS 49 1HD LYS 49 11.139 4.602 -6.582 585 1HE LYS 49 2HE LYS 49 13.334 5.635 -6.944 586 2HE LYS 49 1HE LYS 49 14.101 4.060 -6.742 587 1HZ LYS 49 3HZ LYS 49 12.109 4.714 -8.804 588 2HZ LYS 49 2HZ LYS 49 13.772 4.675 -9.080 589 3HZ LYS 49 1HZ LYS 49 12.940 3.265 -8.655 590 QB LYS 49 QB LYS 49 13.834 3.364 -4.546 591 QD LYS 49 QD LYS 49 11.533 3.822 -6.471 592 QG LYS 49 QG LYS 49 11.869 4.807 -4.439 593 QE LYS 49 QE LYS 49 13.718 4.848 -6.843 594 QZ LYS 49 QZ LYS 49 12.941 4.218 -8.847 595 H THR 50 H THR 50 12.348 5.943 -2.017 596 HA THR 50 HA THR 50 14.317 7.886 -2.590 597 HB THR 50 HB THR 50 11.647 8.138 -1.160 598 HG1 THR 50 1HG THR 50 11.200 7.524 -3.157 599 1HG2 THR 50 1HG2 THR 50 13.111 10.094 -0.720 600 2HG2 THR 50 3HG2 THR 50 13.344 10.287 -2.458 601 3HG2 THR 50 2HG2 THR 50 11.746 10.520 -1.748 602 MG THR 50 QG2 THR 50 12.734 10.300 -1.642 603 H LYS 51 H LYS 51 13.633 5.964 0.174 604 HA LYS 51 HA LYS 51 14.488 7.585 2.319 605 1HB LYS 51 2HB LYS 51 14.966 4.612 2.142 606 2HB LYS 51 1HB LYS 51 14.764 5.574 3.593 607 1HG LYS 51 2HG LYS 51 12.421 6.002 2.919 608 2HG LYS 51 1HG LYS 51 12.659 4.923 1.550 609 1HD LYS 51 2HD LYS 51 11.671 3.540 3.135 610 2HD LYS 51 1HD LYS 51 13.392 3.206 3.350 611 1HE LYS 51 2HE LYS 51 12.429 3.486 5.510 612 2HE LYS 51 1HE LYS 51 13.399 4.913 5.164 613 1HZ LYS 51 1HZ LYS 51 11.356 6.048 4.483 614 2HZ LYS 51 3HZ LYS 51 10.474 4.690 4.870 615 3HZ LYS 51 2HZ LYS 51 11.263 5.544 6.097 616 QB LYS 51 QB LYS 51 14.865 5.093 2.868 617 QD LYS 51 QD LYS 51 12.531 3.373 3.242 618 QG LYS 51 QG LYS 51 12.540 5.463 2.235 619 QE LYS 51 QE LYS 51 12.914 4.199 5.337 620 QZ LYS 51 QZ LYS 51 11.031 5.427 5.150 621 H LYS 52 H LYS 52 16.173 6.012 -0.164 622 HA LYS 52 HA LYS 52 18.259 5.601 -0.779 623 1HB LYS 52 2HB LYS 52 19.877 7.414 -0.697 624 2HB LYS 52 1HB LYS 52 18.274 8.045 -1.015 625 1HG LYS 52 2HG LYS 52 18.113 8.959 1.150 626 2HG LYS 52 1HG LYS 52 19.518 8.050 1.712 627 1HD LYS 52 2HD LYS 52 20.132 10.371 1.308 628 2HD LYS 52 1HD LYS 52 20.925 9.314 0.139 629 1HE LYS 52 2HE LYS 52 19.236 9.879 -1.520 630 2HE LYS 52 1HE LYS 52 18.443 10.949 -0.362 631 1HZ LYS 52 2HZ LYS 52 20.557 12.197 -0.255 632 2HZ LYS 52 1HZ LYS 52 21.157 11.228 -1.497 633 3HZ LYS 52 3HZ LYS 52 19.827 12.234 -1.788 634 QB LYS 52 QB LYS 52 19.075 7.730 -0.856 635 QD LYS 52 QD LYS 52 20.528 9.842 0.724 636 QG LYS 52 QG LYS 52 18.815 8.505 1.431 637 QE LYS 52 QE LYS 52 18.840 10.414 -0.941 638 QZ LYS 52 QZ LYS 52 20.514 11.887 -1.180 639 H LYS 53 H LYS 53 17.550 4.743 2.022 640 HA LYS 53 HA LYS 53 20.267 4.374 2.998 641 1HB LYS 53 2HB LYS 53 19.275 3.503 5.054 642 2HB LYS 53 1HB LYS 53 18.626 5.084 4.637 643 1HG LYS 53 2HG LYS 53 16.557 4.162 3.960 644 2HG LYS 53 1HG LYS 53 17.205 2.517 4.010 645 1HD LYS 53 2HD LYS 53 17.554 2.746 6.430 646 2HD LYS 53 1HD LYS 53 16.838 4.358 6.369 647 1HE LYS 53 2HE LYS 53 14.729 3.451 5.690 648 2HE LYS 53 1HE LYS 53 15.427 1.842 5.516 649 1HZ LYS 53 2HZ LYS 53 15.283 3.315 8.092 650 2HZ LYS 53 1HZ LYS 53 14.178 2.132 7.590 651 3HZ LYS 53 3HZ LYS 53 15.790 1.728 7.827 652 QB LYS 53 QB LYS 53 18.951 4.293 4.845 653 QD LYS 53 QD LYS 53 17.196 3.552 6.400 654 QG LYS 53 QG LYS 53 16.881 3.339 3.985 655 QE LYS 53 QE LYS 53 15.078 2.647 5.603 656 QZ LYS 53 QZ LYS 53 15.084 2.392 7.836 657 H ARG 54 H ARG 54 18.480 3.064 0.809 658 HA ARG 54 HA ARG 54 18.669 0.279 1.314 659 1HB ARG 54 2HB ARG 54 18.297 1.900 -1.201 660 2HB ARG 54 1HB ARG 54 18.486 0.160 -1.259 661 1HG ARG 54 2HG ARG 54 16.298 1.668 0.167 662 2HG ARG 54 1HG ARG 54 16.143 0.797 -1.360 663 1HD ARG 54 2HD ARG 54 16.738 -0.369 1.360 664 2HD ARG 54 1HD ARG 54 15.294 -0.615 0.383 665 HE ARG 54 HE ARG 54 17.201 -1.530 -1.242 666 1HH1 ARG 54 1HH1 ARG 54 16.591 -2.243 2.197 667 2HH1 ARG 54 2HH1 ARG 54 17.240 -3.819 2.089 668 1HH2 ARG 54 1HH2 ARG 54 18.113 -3.668 -1.309 669 2HH2 ARG 54 2HH2 ARG 54 18.099 -4.652 0.081 670 QB ARG 54 QB ARG 54 18.391 1.030 -1.230 671 QG ARG 54 QG ARG 54 16.221 1.232 -0.596 672 QD ARG 54 QD ARG 54 16.016 -0.492 0.871 673 QH1 ARG 54 QH1 ARG 54 16.915 -3.031 2.143 674 QH2 ARG 54 QH2 ARG 54 18.106 -4.160 -0.614 675 H TYR 55 H TYR 55 20.182 -1.163 0.451 676 HA TYR 55 HA TYR 55 22.771 -0.303 1.019 677 1HB TYR 55 2HB TYR 55 21.824 -2.901 -0.174 678 2HB TYR 55 1HB TYR 55 23.471 -2.612 0.398 679 HD1 TYR 55 1HD TYR 55 19.995 -3.134 1.397 680 HD2 TYR 55 2HD TYR 55 23.929 -2.284 2.771 681 HE1 TYR 55 1HE TYR 55 19.280 -3.581 3.701 682 HE2 TYR 55 2HE TYR 55 23.225 -2.740 5.074 683 HH TYR 55 HH TYR 55 20.239 -4.192 5.823 684 QB TYR 55 QB TYR 55 22.648 -2.757 0.112 685 QD TYR 55 QD TYR 55 21.962 -2.709 2.084 686 QE TYR 55 QE TYR 55 21.252 -3.161 4.387 687 QR TYR 55 QR TYR 55 21.607 -2.935 3.235 688 H SER 56 H SER 56 21.117 -0.393 -1.968 689 HA SER 56 HA SER 56 23.301 -0.372 -3.720 690 1HB SER 56 2HB SER 56 21.438 0.669 -5.189 691 2HB SER 56 1HB SER 56 21.260 -0.994 -4.617 692 HG SER 56 HG SER 56 19.613 1.020 -4.229 693 QB SER 56 QB SER 56 21.349 -0.163 -4.903 694 H LEU 57 H LEU 57 22.136 2.009 -1.565 695 HA LEU 57 HA LEU 57 23.245 4.195 -3.149 696 1HB LEU 57 2HB LEU 57 21.603 4.147 -0.628 697 2HB LEU 57 1HB LEU 57 22.422 5.590 -1.172 698 HG LEU 57 HG LEU 57 20.103 5.704 -1.729 699 1HD1 LEU 57 3HD1 LEU 57 21.591 6.775 -3.222 700 2HD1 LEU 57 2HD1 LEU 57 21.758 5.299 -4.183 701 3HD1 LEU 57 1HD1 LEU 57 20.208 6.134 -4.103 702 1HD2 LEU 57 3HD2 LEU 57 20.480 3.168 -3.317 703 2HD2 LEU 57 2HD2 LEU 57 19.543 3.351 -1.835 704 3HD2 LEU 57 1HD2 LEU 57 19.021 4.167 -3.310 705 MD1 LEU 57 QD1 LEU 57 21.186 6.069 -3.836 706 MD2 LEU 57 QD2 LEU 57 19.681 3.562 -2.820 707 QB LEU 57 QB LEU 57 22.013 4.869 -0.900 708 QD LEU 57 QQD LEU 57 20.433 4.816 -3.328 709 H LEU 58 H LEU 58 24.257 1.980 -0.931 710 HA LEU 58 HA LEU 58 26.282 3.779 0.163 711 1HB LEU 58 2HB LEU 58 25.489 0.985 1.018 712 2HB LEU 58 1HB LEU 58 26.858 1.854 1.665 713 HG LEU 58 HG LEU 58 25.160 1.976 3.262 714 1HD1 LEU 58 2HD1 LEU 58 26.347 4.032 2.995 715 2HD1 LEU 58 1HD1 LEU 58 25.176 4.577 1.794 716 3HD1 LEU 58 3HD1 LEU 58 24.676 4.350 3.469 717 1HD2 LEU 58 1HD2 LEU 58 23.278 2.895 1.105 718 2HD2 LEU 58 3HD2 LEU 58 23.227 1.367 1.983 719 3HD2 LEU 58 2HD2 LEU 58 22.900 2.882 2.826 720 MD1 LEU 58 QD1 LEU 58 25.400 4.320 2.753 721 MD2 LEU 58 QD2 LEU 58 23.135 2.381 1.971 722 QB LEU 58 QB LEU 58 26.173 1.420 1.341 723 QD LEU 58 QQD LEU 58 24.268 3.351 2.362 724 H GLU 59 H GLU 59 26.182 0.377 -0.741 725 HA GLU 59 HA GLU 59 27.841 -0.982 -1.385 726 1HB GLU 59 2HB GLU 59 27.589 0.808 -3.784 727 2HB GLU 59 1HB GLU 59 28.129 -0.876 -3.803 728 1HG GLU 59 2HG GLU 59 25.914 -1.447 -2.780 729 2HG GLU 59 1HG GLU 59 25.408 0.195 -3.117 730 QB GLU 59 QB GLU 59 27.859 -0.034 -3.793 731 QG GLU 59 QG GLU 59 25.661 -0.626 -2.948 732 H HIS 60 H HIS 60 29.280 -0.135 0.205 733 HA HIS 60 HA HIS 60 31.454 1.500 -0.838 734 1HB HIS 60 2HB HIS 60 30.820 0.610 1.973 735 2HB HIS 60 1HB HIS 60 32.302 1.456 1.546 736 HD1 HIS 60 1HD HIS 60 29.071 2.196 2.856 737 HD2 HIS 60 2HD HIS 60 31.572 3.971 0.052 738 HE1 HIS 60 1HE HIS 60 28.343 4.599 2.678 739 QB HIS 60 QB HIS 60 31.561 1.033 1.760 740 H HIS 61 H HIS 61 30.767 -1.606 -0.852 741 HA HIS 61 HA HIS 61 33.420 -2.587 -0.363 742 1HB HIS 61 2HB HIS 61 32.505 -4.748 -1.417 743 2HB HIS 61 1HB HIS 61 31.723 -4.234 0.059 744 HD1 HIS 61 1HD HIS 61 31.066 -4.682 -3.618 745 HD2 HIS 61 2HD HIS 61 29.069 -3.457 -0.192 746 HE1 HIS 61 1HE HIS 61 28.605 -4.616 -4.215 747 QB HIS 61 QB HIS 61 32.114 -4.491 -0.679 748 H HIS 62 H HIS 62 34.970 -2.025 -1.684 749 HA HIS 62 HA HIS 62 34.217 -1.443 -4.445 750 1HB HIS 62 2HB HIS 62 36.422 -0.236 -2.795 751 2HB HIS 62 1HB HIS 62 36.184 0.071 -4.508 752 HD1 HIS 62 1HD HIS 62 35.674 1.797 -1.560 753 HD2 HIS 62 2HD HIS 62 33.143 0.834 -4.699 754 HE1 HIS 62 1HE HIS 62 33.816 3.493 -1.507 755 QB HIS 62 QB HIS 62 36.303 -0.082 -3.651 756 H HIS 63 H HIS 63 34.751 -2.972 -5.748 757 HA HIS 63 HA HIS 63 37.161 -4.520 -5.297 758 1HB HIS 63 2HB HIS 63 35.084 -5.696 -6.012 759 2HB HIS 63 1HB HIS 63 35.064 -4.747 -7.488 760 HD1 HIS 63 1HD HIS 63 36.198 -7.978 -6.204 761 HD2 HIS 63 2HD HIS 63 37.447 -5.337 -9.168 762 HE1 HIS 63 1HE HIS 63 37.629 -9.302 -7.762 763 QB HIS 63 QB HIS 63 35.074 -5.221 -6.750 764 H HIS 64 H HIS 64 38.750 -2.966 -5.628 765 HA HIS 64 HA HIS 64 38.912 -1.615 -8.157 766 1HB HIS 64 2HB HIS 64 40.746 -1.707 -5.751 767 2HB HIS 64 1HB HIS 64 41.000 -0.714 -7.170 768 HD1 HIS 64 1HD HIS 64 39.051 1.223 -7.475 769 HD2 HIS 64 2HD HIS 64 39.379 -0.588 -3.756 770 HE1 HIS 64 1HE HIS 64 37.928 2.770 -5.847 771 QB HIS 64 QB HIS 64 40.873 -1.210 -6.460 No H/Q in entry = 771 Start of MODEL 7 1 H1 MET 1 3HT MET 1 12.485 -9.146 3.035 2 H2 MET 1 2HT MET 1 12.599 -10.794 3.428 3 H3 MET 1 1HT MET 1 13.771 -10.046 2.447 4 HA MET 1 HA MET 1 12.394 -11.288 1.063 5 1HB MET 1 2HB MET 1 10.200 -9.799 2.473 6 2HB MET 1 1HB MET 1 9.949 -10.464 0.869 7 1HG MET 1 2HG MET 1 9.103 -11.948 2.605 8 2HG MET 1 1HG MET 1 10.411 -12.700 1.702 9 1HE MET 1 2HE MET 1 10.574 -14.554 3.553 10 2HE MET 1 1HE MET 1 10.783 -14.206 5.268 11 3HE MET 1 3HE MET 1 9.278 -13.778 4.460 12 QB MET 1 QB MET 1 10.075 -10.131 1.671 13 QG MET 1 QG MET 1 9.757 -12.324 2.153 14 ME MET 1 QE MET 1 10.212 -14.179 4.427 15 H ASN 2 H ASN 2 11.261 -10.391 -0.902 16 HA ASN 2 HA ASN 2 12.884 -8.203 -1.839 17 1HB ASN 2 2HB ASN 2 10.785 -9.911 -3.181 18 2HB ASN 2 1HB ASN 2 11.797 -8.734 -4.012 19 1HD2 ASN 2 1HD2 ASN 2 11.516 -11.657 -4.338 20 2HD2 ASN 2 2HD2 ASN 2 13.105 -12.277 -4.122 21 QB ASN 2 QB ASN 2 11.291 -9.323 -3.597 22 QD ASN 2 QD2 ASN 2 12.310 -11.967 -4.230 23 H VAL 3 H VAL 3 11.928 -6.348 -2.997 24 HA VAL 3 HA VAL 3 9.917 -5.148 -1.383 25 HB VAL 3 HB VAL 3 10.049 -3.191 -2.819 26 1HG1 VAL 3 3HG1 VAL 3 11.721 -3.437 -1.086 27 2HG1 VAL 3 2HG1 VAL 3 12.758 -4.351 -2.180 28 3HG1 VAL 3 1HG1 VAL 3 12.433 -2.647 -2.494 29 1HG2 VAL 3 3HG2 VAL 3 10.276 -4.254 -5.003 30 2HG2 VAL 3 2HG2 VAL 3 11.578 -3.093 -4.752 31 3HG2 VAL 3 1HG2 VAL 3 11.890 -4.819 -4.581 32 MG1 VAL 3 QG1 VAL 3 12.304 -3.478 -1.920 33 MG2 VAL 3 QG2 VAL 3 11.248 -4.056 -4.779 34 QG VAL 3 QQG VAL 3 11.776 -3.767 -3.349 35 H THR 4 H THR 4 9.771 -6.945 -4.244 36 HA THR 4 HA THR 4 7.447 -6.078 -5.459 37 HB THR 4 HB THR 4 8.931 -7.728 -6.467 38 HG1 THR 4 1HG THR 4 7.057 -9.389 -6.858 39 1HG2 THR 4 3HG2 THR 4 9.447 -9.057 -4.503 40 2HG2 THR 4 2HG2 THR 4 7.795 -9.680 -4.469 41 3HG2 THR 4 1HG2 THR 4 8.867 -10.100 -5.807 42 MG THR 4 QG2 THR 4 8.703 -9.612 -4.926 43 H LYS 5 H LYS 5 7.768 -7.874 -2.495 44 HA LYS 5 HA LYS 5 5.225 -9.046 -2.291 45 1HB LYS 5 2HB LYS 5 5.591 -9.179 0.113 46 2HB LYS 5 1HB LYS 5 7.104 -9.524 -0.708 47 1HG LYS 5 2HG LYS 5 7.963 -7.354 -0.197 48 2HG LYS 5 1HG LYS 5 6.402 -6.828 0.428 49 1HD LYS 5 2HD LYS 5 6.613 -8.540 2.212 50 2HD LYS 5 1HD LYS 5 8.235 -8.906 1.616 51 1HE LYS 5 2HE LYS 5 8.951 -6.637 2.048 52 2HE LYS 5 1HE LYS 5 7.321 -6.180 2.534 53 1HZ LYS 5 2HZ LYS 5 7.512 -7.771 4.363 54 2HZ LYS 5 1HZ LYS 5 9.091 -8.106 3.928 55 3HZ LYS 5 3HZ LYS 5 8.679 -6.559 4.461 56 QB LYS 5 QB LYS 5 6.347 -9.352 -0.297 57 QD LYS 5 QD LYS 5 7.424 -8.723 1.914 58 QG LYS 5 QG LYS 5 7.182 -7.091 0.115 59 QE LYS 5 QE LYS 5 8.136 -6.408 2.291 60 QZ LYS 5 QZ LYS 5 8.427 -7.479 4.251 61 H LEU 6 H LEU 6 6.313 -5.789 -1.733 62 HA LEU 6 HA LEU 6 4.087 -4.866 -0.253 63 1HB LEU 6 2HB LEU 6 6.340 -3.815 -0.271 64 2HB LEU 6 1HB LEU 6 6.070 -3.342 -1.929 65 HG LEU 6 HG LEU 6 4.267 -1.820 -1.217 66 1HD1 LEU 6 2HD1 LEU 6 4.992 -2.729 1.562 67 2HD1 LEU 6 1HD1 LEU 6 3.906 -1.397 1.157 68 3HD1 LEU 6 3HD1 LEU 6 3.473 -3.048 0.723 69 1HD2 LEU 6 2HD2 LEU 6 6.575 -1.020 -1.350 70 2HD2 LEU 6 1HD2 LEU 6 5.678 -0.212 -0.065 71 3HD2 LEU 6 3HD2 LEU 6 6.828 -1.486 0.330 72 MD1 LEU 6 QD1 LEU 6 4.124 -2.391 1.147 73 MD2 LEU 6 QD2 LEU 6 6.360 -0.906 -0.362 74 QB LEU 6 QB LEU 6 6.205 -3.579 -1.100 75 QD LEU 6 QQD LEU 6 5.242 -1.648 0.393 76 H ASN 7 H ASN 7 5.021 -4.730 -3.639 77 HA ASN 7 HA ASN 7 2.797 -3.227 -4.520 78 1HB ASN 7 2HB ASN 7 4.859 -3.372 -5.853 79 2HB ASN 7 1HB ASN 7 4.599 -5.093 -6.091 80 1HD2 ASN 7 1HD2 ASN 7 3.162 -5.768 -7.658 81 2HD2 ASN 7 2HD2 ASN 7 2.419 -4.682 -8.775 82 QB ASN 7 QB ASN 7 4.729 -4.233 -5.972 83 QD ASN 7 QD2 ASN 7 2.791 -5.225 -8.217 84 H ASP 8 H ASP 8 3.391 -6.647 -4.134 85 HA ASP 8 HA ASP 8 1.042 -7.553 -5.459 86 1HB ASP 8 2HB ASP 8 3.018 -9.006 -4.997 87 2HB ASP 8 1HB ASP 8 2.609 -8.959 -3.290 88 QB ASP 8 QB ASP 8 2.814 -8.982 -4.144 89 H ARG 9 H ARG 9 1.781 -6.682 -2.133 90 HA ARG 9 HA ARG 9 -0.752 -7.496 -1.132 91 1HB ARG 9 2HB ARG 9 1.189 -5.504 0.060 92 2HB ARG 9 1HB ARG 9 -0.223 -6.155 0.883 93 1HG ARG 9 2HG ARG 9 0.758 -8.422 0.633 94 2HG ARG 9 1HG ARG 9 2.214 -7.670 -0.018 95 1HD ARG 9 2HD ARG 9 2.590 -8.079 2.297 96 2HD ARG 9 1HD ARG 9 2.348 -6.341 2.087 97 HE ARG 9 HE ARG 9 0.008 -7.891 2.764 98 1HH1 ARG 9 1HH1 ARG 9 2.602 -5.824 3.966 99 2HH1 ARG 9 2HH1 ARG 9 1.845 -5.463 5.438 100 1HH2 ARG 9 1HH2 ARG 9 -1.050 -7.438 4.795 101 2HH2 ARG 9 2HH2 ARG 9 -0.340 -6.378 5.910 102 QB ARG 9 QB ARG 9 0.483 -5.829 0.472 103 QG ARG 9 QG ARG 9 1.486 -8.046 0.307 104 QD ARG 9 QD ARG 9 2.469 -7.210 2.192 105 QH1 ARG 9 QH1 ARG 9 2.224 -5.643 4.702 106 QH2 ARG 9 QH2 ARG 9 -0.695 -6.908 5.352 107 H ILE 10 H ILE 10 0.455 -4.544 -2.552 108 HA ILE 10 HA ILE 10 -1.771 -2.916 -2.007 109 HB ILE 10 HB ILE 10 0.058 -2.824 -4.439 110 1HG1 ILE 10 2HG1 ILE 10 0.161 -1.245 -1.873 111 2HG1 ILE 10 1HG1 ILE 10 1.230 -2.589 -2.269 112 1HG2 ILE 10 3HG2 ILE 10 -2.027 -1.592 -4.819 113 2HG2 ILE 10 2HG2 ILE 10 -1.792 -0.709 -3.310 114 3HG2 ILE 10 1HG2 ILE 10 -0.670 -0.476 -4.652 115 1HD1 ILE 10 2HD1 ILE 10 1.038 0.004 -3.774 116 2HD1 ILE 10 1HD1 ILE 10 2.297 -0.421 -2.605 117 3HD1 ILE 10 3HD1 ILE 10 2.147 -1.319 -4.114 118 MG ILE 10 QG2 ILE 10 -1.496 -0.925 -4.260 119 MD ILE 10 QD1 ILE 10 1.827 -0.578 -3.498 120 QG ILE 10 QG1 ILE 10 0.696 -1.917 -2.071 121 H GLU 11 H GLU 11 -1.053 -5.115 -4.690 122 HA GLU 11 HA GLU 11 -3.273 -4.888 -6.328 123 1HB GLU 11 2HB GLU 11 -1.741 -7.342 -5.483 124 2HB GLU 11 1HB GLU 11 -3.013 -7.389 -6.695 125 1HG GLU 11 2HG GLU 11 -0.552 -5.678 -6.893 126 2HG GLU 11 1HG GLU 11 -0.708 -7.279 -7.609 127 QB GLU 11 QB GLU 11 -2.377 -7.365 -6.089 128 QG GLU 11 QG GLU 11 -0.630 -6.478 -7.251 129 H ALA 12 H ALA 12 -2.943 -6.847 -3.442 130 HA ALA 12 HA ALA 12 -5.556 -7.912 -3.516 131 1HB ALA 12 2HB ALA 12 -3.760 -9.048 -2.357 132 2HB ALA 12 3HB ALA 12 -5.081 -8.683 -1.251 133 3HB ALA 12 1HB ALA 12 -3.620 -7.700 -1.224 134 MB ALA 12 QB ALA 12 -4.154 -8.477 -1.611 135 H LYS 13 H LYS 13 -4.273 -4.871 -2.278 136 HA LYS 13 HA LYS 13 -6.355 -4.704 -0.300 137 1HB LYS 13 2HB LYS 13 -4.033 -3.808 0.095 138 2HB LYS 13 1HB LYS 13 -4.368 -2.568 -1.101 139 1HG LYS 13 2HG LYS 13 -5.976 -1.528 0.263 140 2HG LYS 13 1HG LYS 13 -6.095 -2.929 1.330 141 1HD LYS 13 2HD LYS 13 -3.759 -2.544 2.047 142 2HD LYS 13 1HD LYS 13 -3.711 -1.102 1.028 143 1HE LYS 13 2HE LYS 13 -5.375 -0.024 2.350 144 2HE LYS 13 1HE LYS 13 -5.719 -1.507 3.235 145 1HZ LYS 13 2HZ LYS 13 -3.102 -0.063 3.386 146 2HZ LYS 13 1HZ LYS 13 -4.345 -0.005 4.543 147 3HZ LYS 13 3HZ LYS 13 -3.563 -1.429 4.216 148 QB LYS 13 QB LYS 13 -4.200 -3.188 -0.503 149 QD LYS 13 QD LYS 13 -3.735 -1.823 1.537 150 QG LYS 13 QG LYS 13 -6.036 -2.228 0.796 151 QE LYS 13 QE LYS 13 -5.547 -0.766 2.792 152 QZ LYS 13 QZ LYS 13 -3.670 -0.499 4.048 153 H LYS 14 H LYS 14 -5.669 -3.623 -3.440 154 HA LYS 14 HA LYS 14 -7.763 -1.705 -3.659 155 1HB LYS 14 2HB LYS 14 -6.282 -3.252 -5.788 156 2HB LYS 14 1HB LYS 14 -7.269 -1.814 -6.069 157 1HG LYS 14 2HG LYS 14 -5.818 -0.456 -4.777 158 2HG LYS 14 1HG LYS 14 -4.890 -1.849 -4.230 159 1HD LYS 14 2HD LYS 14 -4.956 -0.624 -7.001 160 2HD LYS 14 1HD LYS 14 -3.669 -0.672 -5.764 161 1HE LYS 14 2HE LYS 14 -3.476 -3.018 -5.955 162 2HE LYS 14 1HE LYS 14 -4.747 -3.081 -7.179 163 1HZ LYS 14 3HZ LYS 14 -3.288 -1.706 -8.619 164 2HZ LYS 14 2HZ LYS 14 -2.087 -1.766 -7.442 165 3HZ LYS 14 1HZ LYS 14 -2.566 -3.170 -8.202 166 QB LYS 14 QB LYS 14 -6.775 -2.533 -5.929 167 QD LYS 14 QD LYS 14 -4.312 -0.648 -6.382 168 QG LYS 14 QG LYS 14 -5.354 -1.152 -4.503 169 QE LYS 14 QE LYS 14 -4.111 -3.050 -6.567 170 QZ LYS 14 QZ LYS 14 -2.647 -2.214 -8.087 171 H LYS 15 H LYS 15 -7.482 -5.150 -4.305 172 HA LYS 15 HA LYS 15 -10.128 -5.322 -5.406 173 1HB LYS 15 2HB LYS 15 -8.344 -7.541 -4.391 174 2HB LYS 15 1HB LYS 15 -9.780 -7.735 -5.396 175 1HG LYS 15 2HG LYS 15 -8.688 -6.443 -7.177 176 2HG LYS 15 1HG LYS 15 -7.242 -6.317 -6.184 177 1HD LYS 15 2HD LYS 15 -6.898 -8.072 -7.758 178 2HD LYS 15 1HD LYS 15 -7.133 -8.813 -6.177 179 1HE LYS 15 2HE LYS 15 -9.404 -9.396 -6.724 180 2HE LYS 15 1HE LYS 15 -9.323 -8.495 -8.228 181 1HZ LYS 15 3HZ LYS 15 -7.544 -10.068 -8.923 182 2HZ LYS 15 2HZ LYS 15 -7.877 -10.994 -7.544 183 3HZ LYS 15 1HZ LYS 15 -9.061 -10.774 -8.715 184 QB LYS 15 QB LYS 15 -9.062 -7.638 -4.894 185 QD LYS 15 QD LYS 15 -7.016 -8.442 -6.967 186 QG LYS 15 QG LYS 15 -7.965 -6.380 -6.680 187 QE LYS 15 QE LYS 15 -9.364 -8.946 -7.476 188 QZ LYS 15 QZ LYS 15 -8.161 -10.612 -8.394 189 H GLU 16 H GLU 16 -8.678 -5.686 -2.288 190 HA GLU 16 HA GLU 16 -10.773 -6.764 -0.776 191 1HB GLU 16 2HB GLU 16 -8.353 -6.297 -0.115 192 2HB GLU 16 1HB GLU 16 -8.817 -4.613 0.049 193 1HG GLU 16 2HG GLU 16 -8.839 -5.488 2.213 194 2HG GLU 16 1HG GLU 16 -10.533 -5.409 1.729 195 QB GLU 16 QB GLU 16 -8.585 -5.455 -0.033 196 QG GLU 16 QG GLU 16 -9.686 -5.448 1.971 197 H LEU 17 H LEU 17 -9.828 -3.476 -1.645 198 HA LEU 17 HA LEU 17 -11.888 -2.151 -0.290 199 1HB LEU 17 2HB LEU 17 -9.746 -1.117 -1.032 200 2HB LEU 17 1HB LEU 17 -10.329 -1.174 -2.680 201 HG LEU 17 HG LEU 17 -12.144 0.389 -2.094 202 1HD1 LEU 17 2HD1 LEU 17 -10.836 0.379 0.625 203 2HD1 LEU 17 1HD1 LEU 17 -12.061 1.531 0.096 204 3HD1 LEU 17 3HD1 LEU 17 -12.465 -0.177 0.229 205 1HD2 LEU 17 2HD2 LEU 17 -9.989 1.251 -2.911 206 2HD2 LEU 17 1HD2 LEU 17 -10.751 2.363 -1.764 207 3HD2 LEU 17 3HD2 LEU 17 -9.416 1.340 -1.245 208 MD1 LEU 17 QD1 LEU 17 -11.787 0.578 0.316 209 MD2 LEU 17 QD2 LEU 17 -10.052 1.651 -1.973 210 QB LEU 17 QB LEU 17 -10.037 -1.145 -1.856 211 QD LEU 17 QQD LEU 17 -10.920 1.115 -0.828 212 H ILE 18 H ILE 18 -11.672 -3.454 -3.557 213 HA ILE 18 HA ILE 18 -14.063 -2.414 -4.591 214 HB ILE 18 HB ILE 18 -12.861 -5.159 -5.132 215 1HG1 ILE 18 2HG1 ILE 18 -12.644 -2.577 -6.705 216 2HG1 ILE 18 1HG1 ILE 18 -11.374 -3.273 -5.706 217 1HG2 ILE 18 3HG2 ILE 18 -14.963 -3.652 -6.701 218 2HG2 ILE 18 2HG2 ILE 18 -14.202 -5.165 -7.204 219 3HG2 ILE 18 1HG2 ILE 18 -15.216 -5.123 -5.764 220 1HD1 ILE 18 3HD1 ILE 18 -11.296 -5.224 -7.210 221 2HD1 ILE 18 2HD1 ILE 18 -12.548 -4.482 -8.205 222 3HD1 ILE 18 1HD1 ILE 18 -10.969 -3.709 -8.053 223 MG ILE 18 QG2 ILE 18 -14.794 -4.647 -6.556 224 MD ILE 18 QD1 ILE 18 -11.604 -4.472 -7.822 225 QG ILE 18 QG1 ILE 18 -12.009 -2.925 -6.205 226 H TYR 19 H TYR 19 -13.489 -5.282 -2.633 227 HA TYR 19 HA TYR 19 -16.127 -6.247 -2.544 228 1HB TYR 19 2HB TYR 19 -14.272 -7.645 -1.883 229 2HB TYR 19 1HB TYR 19 -13.825 -6.548 -0.586 230 HD1 TYR 19 1HD TYR 19 -14.823 -6.797 1.570 231 HD2 TYR 19 2HD TYR 19 -16.458 -8.895 -1.747 232 HE1 TYR 19 1HE TYR 19 -16.279 -8.061 3.093 233 HE2 TYR 19 2HE TYR 19 -17.911 -10.169 -0.234 234 HH TYR 19 HH TYR 19 -18.035 -10.809 2.080 235 QB TYR 19 QB TYR 19 -14.049 -7.097 -1.235 236 QD TYR 19 QD TYR 19 -15.640 -7.846 -0.088 237 QE TYR 19 QE TYR 19 -17.095 -9.115 1.430 238 QR TYR 19 QR TYR 19 -16.368 -8.480 0.671 239 H LEU 20 H LEU 20 -14.438 -3.907 -0.598 240 HA LEU 20 HA LEU 20 -16.493 -3.550 1.318 241 1HB LEU 20 2HB LEU 20 -14.205 -1.760 0.544 242 2HB LEU 20 1HB LEU 20 -15.212 -1.542 1.962 243 HG LEU 20 HG LEU 20 -13.498 -3.985 1.475 244 1HD1 LEU 20 3HD1 LEU 20 -12.126 -1.999 1.753 245 2HD1 LEU 20 2HD1 LEU 20 -12.986 -1.634 3.246 246 3HD1 LEU 20 1HD1 LEU 20 -12.005 -3.090 3.128 247 1HD2 LEU 20 3HD2 LEU 20 -14.993 -3.028 3.916 248 2HD2 LEU 20 2HD2 LEU 20 -15.431 -4.412 2.914 249 3HD2 LEU 20 1HD2 LEU 20 -13.941 -4.438 3.843 250 MD1 LEU 20 QD1 LEU 20 -12.372 -2.241 2.709 251 MD2 LEU 20 QD2 LEU 20 -14.788 -3.959 3.558 252 QB LEU 20 QB LEU 20 -14.708 -1.651 1.253 253 QD LEU 20 QQD LEU 20 -13.580 -3.100 3.134 254 H VAL 21 H VAL 21 -15.682 -1.939 -1.706 255 HA VAL 21 HA VAL 21 -17.692 0.079 -1.466 256 HB VAL 21 HB VAL 21 -16.363 -0.969 -4.005 257 1HG1 VAL 21 1HG1 VAL 21 -18.434 0.226 -4.513 258 2HG1 VAL 21 3HG1 VAL 21 -17.886 1.599 -3.551 259 3HG1 VAL 21 2HG1 VAL 21 -17.029 1.165 -5.025 260 1HG2 VAL 21 3HG2 VAL 21 -15.678 1.422 -2.299 261 2HG2 VAL 21 2HG2 VAL 21 -14.731 -0.061 -2.450 262 3HG2 VAL 21 1HG2 VAL 21 -14.919 1.009 -3.837 263 MG1 VAL 21 QG1 VAL 21 -17.783 0.997 -4.363 264 MG2 VAL 21 QG2 VAL 21 -15.110 0.790 -2.862 265 QG VAL 21 QQG VAL 21 -16.446 0.893 -3.612 266 H GLU 22 H GLU 22 -17.614 -3.191 -2.837 267 HA GLU 22 HA GLU 22 -20.008 -3.318 -4.115 268 1HB GLU 22 2HB GLU 22 -17.922 -4.809 -3.866 269 2HB GLU 22 1HB GLU 22 -18.705 -5.420 -2.432 270 1HG GLU 22 2HG GLU 22 -19.798 -5.515 -5.194 271 2HG GLU 22 1HG GLU 22 -18.857 -6.770 -4.374 272 QB GLU 22 QB GLU 22 -18.313 -5.114 -3.149 273 QG GLU 22 QG GLU 22 -19.327 -6.143 -4.784 274 H LYS 23 H LYS 23 -19.156 -4.123 -0.745 275 HA LYS 23 HA LYS 23 -21.920 -4.500 -0.138 276 1HB LYS 23 2HB LYS 23 -19.444 -5.157 1.336 277 2HB LYS 23 1HB LYS 23 -20.954 -5.051 2.236 278 1HG LYS 23 2HG LYS 23 -20.622 -6.735 -0.235 279 2HG LYS 23 1HG LYS 23 -20.365 -7.348 1.404 280 1HD LYS 23 2HD LYS 23 -22.630 -6.858 2.012 281 2HD LYS 23 1HD LYS 23 -22.940 -6.024 0.506 282 1HE LYS 23 2HE LYS 23 -22.240 -8.941 0.731 283 2HE LYS 23 1HE LYS 23 -23.883 -8.319 0.643 284 1HZ LYS 23 1HZ LYS 23 -21.842 -7.859 -1.505 285 2HZ LYS 23 3HZ LYS 23 -23.002 -9.082 -1.516 286 3HZ LYS 23 2HZ LYS 23 -23.464 -7.473 -1.544 287 QB LYS 23 QB LYS 23 -20.199 -5.104 1.786 288 QD LYS 23 QD LYS 23 -22.785 -6.441 1.259 289 QG LYS 23 QG LYS 23 -20.494 -7.042 0.584 290 QE LYS 23 QE LYS 23 -23.062 -8.630 0.687 291 QZ LYS 23 QZ LYS 23 -22.769 -8.138 -1.522 292 H TYR 24 H TYR 24 -19.723 -1.925 0.575 293 HA TYR 24 HA TYR 24 -21.825 -0.794 2.297 294 1HB TYR 24 2HB TYR 24 -18.930 -0.027 1.995 295 2HB TYR 24 1HB TYR 24 -20.096 0.909 2.912 296 HD1 TYR 24 1HD TYR 24 -21.542 -0.930 4.503 297 HD2 TYR 24 2HD TYR 24 -17.448 -1.089 3.363 298 HE1 TYR 24 1HE TYR 24 -21.029 -2.202 6.534 299 HE2 TYR 24 2HE TYR 24 -16.928 -2.369 5.388 300 HH TYR 24 HH TYR 24 -19.270 -3.795 7.283 301 QB TYR 24 QB TYR 24 -19.513 0.441 2.454 302 QD TYR 24 QD TYR 24 -19.495 -1.009 3.933 303 QE TYR 24 QE TYR 24 -18.979 -2.285 5.961 304 QR TYR 24 QR TYR 24 -19.237 -1.647 4.947 305 H GLY 25 H GLY 25 -19.720 0.030 -0.363 306 1HA GLY 25 1HA GLY 25 -21.459 2.333 -0.951 307 2HA GLY 25 2HA GLY 25 -20.757 1.302 -2.206 308 QA GLY 25 QA GLY 25 -21.108 1.818 -1.578 309 H PHE 26 H PHE 26 -20.172 3.921 -2.421 310 HA PHE 26 HA PHE 26 -17.379 3.915 -1.567 311 1HB PHE 26 2HB PHE 26 -16.966 5.603 -3.342 312 2HB PHE 26 1HB PHE 26 -17.591 4.090 -3.963 313 HD1 PHE 26 1HD PHE 26 -18.302 7.646 -3.405 314 HD2 PHE 26 2HD PHE 26 -19.761 3.989 -5.018 315 HE1 PHE 26 1HE PHE 26 -20.033 8.885 -4.644 316 HE2 PHE 26 2HE PHE 26 -21.489 5.221 -6.248 317 HZ PHE 26 HZ PHE 26 -21.626 7.670 -6.066 318 QB PHE 26 QB PHE 26 -17.278 4.846 -3.652 319 QD PHE 26 QD PHE 26 -19.031 5.818 -4.212 320 QE PHE 26 QE PHE 26 -20.761 7.053 -5.446 321 QR PHE 26 QR PHE 26 -20.242 6.682 -5.076 322 H THR 27 H THR 27 -20.282 5.347 -0.754 323 HA THR 27 HA THR 27 -19.114 7.833 0.172 324 HB THR 27 HB THR 27 -21.542 8.204 0.893 325 HG1 THR 27 1HG THR 27 -22.223 6.062 0.858 326 1HG2 THR 27 2HG2 THR 27 -20.929 7.721 -2.028 327 2HG2 THR 27 1HG2 THR 27 -22.248 8.707 -1.401 328 3HG2 THR 27 3HG2 THR 27 -20.579 9.201 -1.133 329 MG THR 27 QG2 THR 27 -21.252 8.543 -1.521 330 H HIS 28 H HIS 28 -18.615 5.063 1.329 331 HA HIS 28 HA HIS 28 -19.684 5.453 4.024 332 1HB HIS 28 2HB HIS 28 -20.028 3.274 2.747 333 2HB HIS 28 1HB HIS 28 -18.296 3.019 2.887 334 HD1 HIS 28 1HD HIS 28 -21.471 2.700 4.766 335 HD2 HIS 28 2HD HIS 28 -17.409 2.477 5.498 336 HE1 HIS 28 1HE HIS 28 -21.240 1.572 6.997 337 QB HIS 28 QB HIS 28 -19.162 3.146 2.817 338 H HIS 29 H HIS 29 -18.333 5.971 5.650 339 HA HIS 29 HA HIS 29 -15.882 7.150 5.085 340 1HB HIS 29 2HB HIS 29 -17.256 7.869 6.971 341 2HB HIS 29 1HB HIS 29 -16.987 6.334 7.780 342 HD1 HIS 29 1HD HIS 29 -15.002 6.249 9.359 343 HD2 HIS 29 2HD HIS 29 -14.820 9.460 6.721 344 HE1 HIS 29 1HE HIS 29 -13.021 7.624 10.066 345 QB HIS 29 QB HIS 29 -17.122 7.102 7.376 346 H LYS 30 H LYS 30 -16.504 3.904 6.401 347 HA LYS 30 HA LYS 30 -13.853 3.241 7.089 348 1HB LYS 30 2HB LYS 30 -15.804 1.299 5.808 349 2HB LYS 30 1HB LYS 30 -14.384 0.893 6.731 350 1HG LYS 30 2HG LYS 30 -15.428 1.825 8.751 351 2HG LYS 30 1HG LYS 30 -16.876 2.197 7.807 352 1HD LYS 30 2HD LYS 30 -16.990 -0.234 7.183 353 2HD LYS 30 1HD LYS 30 -15.694 -0.530 8.336 354 1HE LYS 30 2HE LYS 30 -17.139 0.397 10.130 355 2HE LYS 30 1HE LYS 30 -18.418 0.599 8.939 356 1HZ LYS 30 2HZ LYS 30 -18.318 -1.842 8.556 357 2HZ LYS 30 1HZ LYS 30 -17.195 -1.955 9.788 358 3HZ LYS 30 3HZ LYS 30 -18.757 -1.442 10.136 359 QB LYS 30 QB LYS 30 -15.094 1.096 6.269 360 QD LYS 30 QD LYS 30 -16.342 -0.382 7.760 361 QG LYS 30 QG LYS 30 -16.152 2.011 8.279 362 QE LYS 30 QE LYS 30 -17.779 0.498 9.534 363 QZ LYS 30 QZ LYS 30 -18.090 -1.746 9.493 364 H VAL 31 H VAL 31 -15.538 2.990 4.022 365 HA VAL 31 HA VAL 31 -13.529 1.790 2.485 366 HB VAL 31 HB VAL 31 -15.758 3.681 1.655 367 1HG1 VAL 31 2HG1 VAL 31 -14.005 3.554 -0.066 368 2HG1 VAL 31 1HG1 VAL 31 -14.154 1.797 -0.079 369 3HG1 VAL 31 3HG1 VAL 31 -15.507 2.804 -0.601 370 1HG2 VAL 31 2HG2 VAL 31 -16.536 1.650 2.769 371 2HG2 VAL 31 1HG2 VAL 31 -16.961 1.634 1.054 372 3HG2 VAL 31 3HG2 VAL 31 -15.606 0.672 1.640 373 MG1 VAL 31 QG1 VAL 31 -14.555 2.718 -0.249 374 MG2 VAL 31 QG2 VAL 31 -16.368 1.319 1.821 375 QG VAL 31 QQG VAL 31 -15.461 2.018 0.786 376 H ILE 32 H ILE 32 -14.266 5.176 3.098 377 HA ILE 32 HA ILE 32 -12.234 6.269 1.452 378 HB ILE 32 HB ILE 32 -13.590 7.493 3.887 379 1HG1 ILE 32 2HG1 ILE 32 -14.273 7.732 0.942 380 2HG1 ILE 32 1HG1 ILE 32 -15.143 6.745 2.112 381 1HG2 ILE 32 2HG2 ILE 32 -11.530 8.700 3.286 382 2HG2 ILE 32 1HG2 ILE 32 -12.088 8.835 1.622 383 3HG2 ILE 32 3HG2 ILE 32 -12.959 9.668 2.909 384 1HD1 ILE 32 2HD1 ILE 32 -14.897 9.744 2.169 385 2HD1 ILE 32 1HD1 ILE 32 -16.303 8.825 1.637 386 3HD1 ILE 32 3HD1 ILE 32 -15.793 8.754 3.321 387 MG ILE 32 QG2 ILE 32 -12.192 9.068 2.605 388 MD ILE 32 QD1 ILE 32 -15.664 9.108 2.375 389 QG ILE 32 QG1 ILE 32 -14.708 7.239 1.527 390 H SER 33 H SER 33 -12.329 5.270 4.814 391 HA SER 33 HA SER 33 -9.776 6.184 5.569 392 1HB SER 33 2HB SER 33 -11.495 5.559 7.226 393 2HB SER 33 1HB SER 33 -11.427 3.889 6.682 394 HG SER 33 HG SER 33 -9.270 5.336 7.829 395 QB SER 33 QB SER 33 -11.461 4.724 6.954 396 H PHE 34 H PHE 34 -10.884 3.084 4.202 397 HA PHE 34 HA PHE 34 -8.287 1.927 4.296 398 1HB PHE 34 2HB PHE 34 -10.683 1.157 2.626 399 2HB PHE 34 1HB PHE 34 -9.182 0.244 2.661 400 HD1 PHE 34 1HD PHE 34 -12.378 0.478 3.945 401 HD2 PHE 34 2HD PHE 34 -8.415 -0.428 5.115 402 HE1 PHE 34 1HE PHE 34 -13.257 -0.814 5.835 403 HE2 PHE 34 2HE PHE 34 -9.266 -1.726 7.033 404 HZ PHE 34 HZ PHE 34 -11.695 -1.920 7.401 405 QB PHE 34 QB PHE 34 -9.932 0.701 2.643 406 QD PHE 34 QD PHE 34 -10.396 0.025 4.530 407 QE PHE 34 QE PHE 34 -11.262 -1.270 6.434 408 QR PHE 34 QR PHE 34 -11.002 -0.882 5.866 409 H SER 35 H SER 35 -10.030 3.772 1.903 410 HA SER 35 HA SER 35 -8.319 3.344 -0.249 411 1HB SER 35 2HB SER 35 -10.605 4.327 -0.429 412 2HB SER 35 1HB SER 35 -10.003 5.806 0.310 413 HG SER 35 HG SER 35 -9.826 4.931 -2.255 414 QB SER 35 QB SER 35 -10.304 5.067 -0.060 415 H GLN 36 H GLN 36 -8.254 5.946 2.184 416 HA GLN 36 HA GLN 36 -5.966 7.181 1.061 417 1HB GLN 36 2HB GLN 36 -5.824 8.443 3.186 418 2HB GLN 36 1HB GLN 36 -7.440 8.446 2.496 419 1HG GLN 36 2HG GLN 36 -8.061 6.649 4.065 420 2HG GLN 36 1HG GLN 36 -6.467 6.802 4.804 421 1HE2 GLN 36 1HE2 GLN 36 -9.553 8.251 4.352 422 2HE2 GLN 36 2HE2 GLN 36 -9.362 9.473 5.570 423 QB GLN 36 QB GLN 36 -6.632 8.445 2.841 424 QG GLN 36 QG GLN 36 -7.264 6.725 4.435 425 QE GLN 36 QE2 GLN 36 -9.458 8.862 4.961 426 H GLU 37 H GLU 37 -6.346 4.582 3.314 427 HA GLU 37 HA GLU 37 -3.610 4.482 4.165 428 1HB GLU 37 2HB GLU 37 -5.889 2.537 4.275 429 2HB GLU 37 1HB GLU 37 -4.268 2.066 4.759 430 1HG GLU 37 2HG GLU 37 -5.832 4.338 5.959 431 2HG GLU 37 1HG GLU 37 -5.710 2.716 6.644 432 QB GLU 37 QB GLU 37 -5.078 2.301 4.517 433 QG GLU 37 QG GLU 37 -5.771 3.527 6.302 434 H LEU 38 H LEU 38 -5.473 3.118 1.593 435 HA LEU 38 HA LEU 38 -3.519 1.314 0.583 436 1HB LEU 38 2HB LEU 38 -6.036 1.326 0.207 437 2HB LEU 38 1HB LEU 38 -5.802 2.690 -0.848 438 HG LEU 38 HG LEU 38 -4.654 -0.059 -1.373 439 1HD1 LEU 38 2HD1 LEU 38 -7.093 -0.073 -1.279 440 2HD1 LEU 38 1HD1 LEU 38 -7.148 1.251 -2.444 441 3HD1 LEU 38 3HD1 LEU 38 -6.503 -0.320 -2.922 442 1HD2 LEU 38 2HD2 LEU 38 -3.514 1.806 -2.554 443 2HD2 LEU 38 1HD2 LEU 38 -4.391 0.755 -3.668 444 3HD2 LEU 38 3HD2 LEU 38 -5.072 2.316 -3.206 445 MD1 LEU 38 QD1 LEU 38 -6.915 0.286 -2.215 446 MD2 LEU 38 QD2 LEU 38 -4.326 1.625 -3.143 447 QB LEU 38 QB LEU 38 -5.919 2.008 -0.320 448 QD LEU 38 QQD LEU 38 -5.620 0.956 -2.679 449 H ASP 39 H ASP 39 -4.537 4.592 -0.098 450 HA ASP 39 HA ASP 39 -2.868 5.266 -2.205 451 1HB ASP 39 2HB ASP 39 -4.725 6.671 -1.388 452 2HB ASP 39 1HB ASP 39 -3.807 7.017 0.074 453 QB ASP 39 QB ASP 39 -4.266 6.844 -0.657 454 H ARG 40 H ARG 40 -2.310 5.563 1.265 455 HA ARG 40 HA ARG 40 0.328 6.542 1.129 456 1HB ARG 40 2HB ARG 40 -0.973 6.761 3.169 457 2HB ARG 40 1HB ARG 40 -1.103 5.019 3.321 458 1HG ARG 40 2HG ARG 40 0.506 5.927 4.915 459 2HG ARG 40 1HG ARG 40 1.300 4.867 3.755 460 1HD ARG 40 2HD ARG 40 2.645 6.844 4.150 461 2HD ARG 40 1HD ARG 40 2.046 6.835 2.492 462 HE ARG 40 HE ARG 40 0.357 8.293 4.256 463 1HH1 ARG 40 1HH1 ARG 40 3.340 8.535 2.366 464 2HH1 ARG 40 2HH1 ARG 40 3.312 10.237 2.265 465 1HH2 ARG 40 1HH2 ARG 40 0.304 10.627 4.089 466 2HH2 ARG 40 2HH2 ARG 40 1.518 11.458 3.240 467 QB ARG 40 QB ARG 40 -1.038 5.890 3.245 468 QG ARG 40 QG ARG 40 0.903 5.397 4.335 469 QD ARG 40 QD ARG 40 2.346 6.840 3.321 470 QH1 ARG 40 QH1 ARG 40 3.326 9.386 2.315 471 QH2 ARG 40 QH2 ARG 40 0.911 11.043 3.664 472 H LEU 41 H LEU 41 -0.962 3.253 1.089 473 HA LEU 41 HA LEU 41 1.447 1.889 1.552 474 1HB LEU 41 2HB LEU 41 -0.871 0.960 1.776 475 2HB LEU 41 1HB LEU 41 -1.013 1.019 0.038 476 HG LEU 41 HG LEU 41 0.862 -0.532 -0.130 477 1HD1 LEU 41 3HD1 LEU 41 0.531 -0.769 2.858 478 2HD1 LEU 41 2HD1 LEU 41 1.502 -1.849 1.862 479 3HD1 LEU 41 1HD1 LEU 41 1.943 -0.149 2.007 480 1HD2 LEU 41 2HD2 LEU 41 -1.429 -1.321 -0.300 481 2HD2 LEU 41 1HD2 LEU 41 -0.427 -2.528 0.511 482 3HD2 LEU 41 3HD2 LEU 41 -1.510 -1.505 1.451 483 MD1 LEU 41 QD1 LEU 41 1.325 -0.922 2.242 484 MD2 LEU 41 QD2 LEU 41 -1.122 -1.785 0.554 485 QB LEU 41 QB LEU 41 -0.942 0.990 0.907 486 QD LEU 41 QQD LEU 41 0.102 -1.353 1.398 487 H LEU 42 H LEU 42 -0.241 2.995 -1.324 488 HA LEU 42 HA LEU 42 1.518 1.899 -3.253 489 1HB LEU 42 2HB LEU 42 -0.773 2.640 -3.760 490 2HB LEU 42 1HB LEU 42 -0.311 4.295 -3.431 491 HG LEU 42 HG LEU 42 1.258 4.188 -5.364 492 1HD1 LEU 42 2HD1 LEU 42 1.624 1.792 -5.429 493 2HD1 LEU 42 1HD1 LEU 42 -0.062 1.531 -5.873 494 3HD1 LEU 42 3HD1 LEU 42 1.020 2.378 -6.981 495 1HD2 LEU 42 1HD2 LEU 42 -1.626 3.567 -5.962 496 2HD2 LEU 42 3HD2 LEU 42 -0.958 5.160 -5.610 497 3HD2 LEU 42 2HD2 LEU 42 -0.484 4.308 -7.080 498 MD1 LEU 42 QD1 LEU 42 0.861 1.900 -6.094 499 MD2 LEU 42 QD2 LEU 42 -1.023 4.345 -6.217 500 QB LEU 42 QB LEU 42 -0.542 3.468 -3.596 501 QD LEU 42 QQD LEU 42 -0.081 3.123 -6.156 502 H ASN 43 H ASN 43 1.471 4.916 -1.475 503 HA ASN 43 HA ASN 43 3.454 6.356 -2.854 504 1HB ASN 43 2HB ASN 43 2.811 6.364 0.102 505 2HB ASN 43 1HB ASN 43 3.965 7.453 -0.642 506 1HD2 ASN 43 1HD2 ASN 43 2.363 7.942 -3.054 507 2HD2 ASN 43 2HD2 ASN 43 1.038 8.891 -2.503 508 QB ASN 43 QB ASN 43 3.388 6.908 -0.270 509 QD ASN 43 QD2 ASN 43 1.701 8.417 -2.779 510 H LEU 44 H LEU 44 3.677 3.806 -0.506 511 HA LEU 44 HA LEU 44 6.330 4.085 0.266 512 1HB LEU 44 2HB LEU 44 4.631 1.625 0.099 513 2HB LEU 44 1HB LEU 44 6.204 1.656 0.871 514 HG LEU 44 HG LEU 44 3.749 3.191 1.735 515 1HD1 LEU 44 1HD1 LEU 44 3.666 0.798 2.194 516 2HD1 LEU 44 3HD1 LEU 44 5.215 0.900 3.027 517 3HD1 LEU 44 2HD1 LEU 44 3.809 1.741 3.680 518 1HD2 LEU 44 3HD2 LEU 44 6.516 3.092 2.945 519 2HD2 LEU 44 2HD2 LEU 44 5.753 4.491 2.192 520 3HD2 LEU 44 1HD2 LEU 44 5.100 3.836 3.687 521 MD1 LEU 44 QD1 LEU 44 4.230 1.146 2.967 522 MD2 LEU 44 QD2 LEU 44 5.790 3.806 2.941 523 QB LEU 44 QB LEU 44 5.418 1.641 0.485 524 QD LEU 44 QQD LEU 44 5.010 2.476 2.954 525 H LEU 45 H LEU 45 5.041 2.573 -2.636 526 HA LEU 45 HA LEU 45 7.385 1.184 -3.393 527 1HB LEU 45 2HB LEU 45 5.269 2.454 -5.140 528 2HB LEU 45 1HB LEU 45 6.527 1.392 -5.729 529 HG LEU 45 HG LEU 45 4.312 0.618 -3.827 530 1HD1 LEU 45 1HD1 LEU 45 4.759 -0.008 -6.743 531 2HD1 LEU 45 3HD1 LEU 45 3.479 -0.680 -5.734 532 3HD1 LEU 45 2HD1 LEU 45 3.511 1.048 -6.083 533 1HD2 LEU 45 1HD2 LEU 45 6.360 -0.683 -3.443 534 2HD2 LEU 45 3HD2 LEU 45 5.104 -1.673 -4.186 535 3HD2 LEU 45 2HD2 LEU 45 6.438 -1.066 -5.163 536 MD1 LEU 45 QD1 LEU 45 3.916 0.120 -6.187 537 MD2 LEU 45 QD2 LEU 45 5.967 -1.141 -4.264 538 QB LEU 45 QB LEU 45 5.898 1.923 -5.435 539 QD LEU 45 QQD LEU 45 4.942 -0.510 -5.225 540 H ILE 46 H ILE 46 6.308 4.461 -3.976 541 HA ILE 46 HA ILE 46 8.588 5.195 -5.526 542 HB ILE 46 HB ILE 46 6.532 6.976 -4.156 543 1HG1 ILE 46 2HG1 ILE 46 5.737 7.381 -6.545 544 2HG1 ILE 46 1HG1 ILE 46 6.731 6.017 -7.018 545 1HG2 ILE 46 1HG2 ILE 46 8.631 7.693 -6.195 546 2HG2 ILE 46 3HG2 ILE 46 7.345 8.762 -5.638 547 3HG2 ILE 46 2HG2 ILE 46 8.580 8.201 -4.507 548 1HD1 ILE 46 1HD1 ILE 46 4.403 5.914 -5.106 549 2HD1 ILE 46 3HD1 ILE 46 4.381 5.406 -6.793 550 3HD1 ILE 46 2HD1 ILE 46 5.380 4.540 -5.630 551 MG ILE 46 QG2 ILE 46 8.186 8.218 -5.447 552 MD ILE 46 QD1 ILE 46 4.721 5.287 -5.843 553 QG ILE 46 QG1 ILE 46 6.234 6.699 -6.781 554 H GLU 47 H GLU 47 7.496 5.740 -2.234 555 HA GLU 47 HA GLU 47 9.581 7.395 -1.437 556 1HB GLU 47 2HB GLU 47 7.787 5.656 0.220 557 2HB GLU 47 1HB GLU 47 8.921 6.820 0.887 558 1HG GLU 47 2HG GLU 47 6.560 7.407 -0.887 559 2HG GLU 47 1HG GLU 47 6.740 7.792 0.825 560 QB GLU 47 QB GLU 47 8.354 6.238 0.554 561 QG GLU 47 QG GLU 47 6.650 7.600 -0.031 562 H LEU 48 H LEU 48 9.348 3.873 -1.254 563 HA LEU 48 HA LEU 48 11.572 3.508 0.412 564 1HB LEU 48 2HB LEU 48 9.780 1.809 -0.080 565 2HB LEU 48 1HB LEU 48 10.481 1.580 -1.658 566 HG LEU 48 HG LEU 48 10.971 -0.235 0.010 567 1HD1 LEU 48 3HD1 LEU 48 13.399 1.169 -1.073 568 2HD1 LEU 48 2HD1 LEU 48 13.335 -0.502 -0.512 569 3HD1 LEU 48 1HD1 LEU 48 12.403 -0.009 -1.927 570 1HD2 LEU 48 2HD2 LEU 48 11.224 1.129 2.002 571 2HD2 LEU 48 1HD2 LEU 48 12.672 0.167 1.727 572 3HD2 LEU 48 3HD2 LEU 48 12.669 1.884 1.329 573 MD1 LEU 48 QD1 LEU 48 13.046 0.219 -1.171 574 MD2 LEU 48 QD2 LEU 48 12.188 1.060 1.686 575 QB LEU 48 QB LEU 48 10.131 1.694 -0.869 576 QD LEU 48 QQD LEU 48 12.617 0.640 0.258 577 H LYS 49 H LYS 49 11.332 3.525 -3.137 578 HA LYS 49 HA LYS 49 14.124 3.036 -3.428 579 1HB LYS 49 2HB LYS 49 13.856 3.738 -5.789 580 2HB LYS 49 1HB LYS 49 12.766 2.427 -5.320 581 1HG LYS 49 2HG LYS 49 10.923 4.005 -5.228 582 2HG LYS 49 1HG LYS 49 12.023 5.350 -5.536 583 1HD LYS 49 2HD LYS 49 10.871 4.802 -7.575 584 2HD LYS 49 1HD LYS 49 12.557 4.328 -7.745 585 1HE LYS 49 2HE LYS 49 11.169 2.630 -8.680 586 2HE LYS 49 1HE LYS 49 11.880 1.989 -7.204 587 1HZ LYS 49 1HZ LYS 49 9.139 3.089 -7.465 588 2HZ LYS 49 3HZ LYS 49 9.530 1.459 -7.415 589 3HZ LYS 49 2HZ LYS 49 9.778 2.417 -6.050 590 QB LYS 49 QB LYS 49 13.311 3.083 -5.554 591 QD LYS 49 QD LYS 49 11.714 4.565 -7.660 592 QG LYS 49 QG LYS 49 11.473 4.677 -5.382 593 QE LYS 49 QE LYS 49 11.524 2.310 -7.942 594 QZ LYS 49 QZ LYS 49 9.482 2.322 -6.977 595 H THR 50 H THR 50 12.191 5.888 -3.106 596 HA THR 50 HA THR 50 14.202 7.667 -3.912 597 HB THR 50 HB THR 50 11.771 8.246 -2.160 598 HG1 THR 50 1HG THR 50 11.103 7.419 -4.167 599 1HG2 THR 50 1HG2 THR 50 13.469 10.033 -2.151 600 2HG2 THR 50 3HG2 THR 50 13.405 10.084 -3.914 601 3HG2 THR 50 2HG2 THR 50 11.984 10.533 -2.970 602 MG THR 50 QG2 THR 50 12.953 10.217 -3.012 603 H LYS 51 H LYS 51 13.734 5.856 -1.042 604 HA LYS 51 HA LYS 51 15.071 7.493 0.879 605 1HB LYS 51 2HB LYS 51 14.776 4.484 0.781 606 2HB LYS 51 1HB LYS 51 15.395 5.374 2.148 607 1HG LYS 51 2HG LYS 51 12.577 5.666 1.087 608 2HG LYS 51 1HG LYS 51 13.034 4.542 2.353 609 1HD LYS 51 2HD LYS 51 12.207 6.344 3.554 610 2HD LYS 51 1HD LYS 51 13.935 6.650 3.571 611 1HE LYS 51 2HE LYS 51 12.763 8.715 3.153 612 2HE LYS 51 1HE LYS 51 13.599 8.280 1.678 613 1HZ LYS 51 1HZ LYS 51 10.730 7.863 2.259 614 2HZ LYS 51 3HZ LYS 51 11.365 9.060 1.288 615 3HZ LYS 51 2HZ LYS 51 11.468 7.433 0.795 616 QB LYS 51 QB LYS 51 15.085 4.929 1.464 617 QD LYS 51 QD LYS 51 13.071 6.497 3.562 618 QG LYS 51 QG LYS 51 12.806 5.104 1.720 619 QE LYS 51 QE LYS 51 13.181 8.498 2.416 620 QZ LYS 51 QZ LYS 51 11.188 8.119 1.447 621 H LYS 52 H LYS 52 16.190 5.750 -1.804 622 HA LYS 52 HA LYS 52 18.130 5.258 -2.732 623 1HB LYS 52 2HB LYS 52 19.965 6.862 -2.612 624 2HB LYS 52 1HB LYS 52 18.426 7.685 -2.727 625 1HG LYS 52 2HG LYS 52 18.535 8.235 -0.358 626 2HG LYS 52 1HG LYS 52 20.048 7.345 -0.207 627 1HD LYS 52 2HD LYS 52 21.115 8.886 -1.778 628 2HD LYS 52 1HD LYS 52 19.596 9.760 -1.965 629 1HE LYS 52 2HE LYS 52 21.102 9.447 0.628 630 2HE LYS 52 1HE LYS 52 21.185 10.868 -0.407 631 1HZ LYS 52 2HZ LYS 52 18.790 11.186 -0.048 632 2HZ LYS 52 1HZ LYS 52 18.731 9.850 0.951 633 3HZ LYS 52 3HZ LYS 52 19.626 11.196 1.407 634 QB LYS 52 QB LYS 52 19.196 7.273 -2.670 635 QD LYS 52 QD LYS 52 20.356 9.323 -1.872 636 QG LYS 52 QG LYS 52 19.292 7.790 -0.282 637 QE LYS 52 QE LYS 52 21.143 10.158 0.111 638 QZ LYS 52 QZ LYS 52 19.049 10.744 0.770 639 H LYS 53 H LYS 53 17.677 4.231 0.127 640 HA LYS 53 HA LYS 53 20.407 3.466 0.734 641 1HB LYS 53 2HB LYS 53 19.474 2.575 2.882 642 2HB LYS 53 1HB LYS 53 19.186 4.279 2.610 643 1HG LYS 53 2HG LYS 53 17.173 3.529 3.528 644 2HG LYS 53 1HG LYS 53 16.849 3.591 1.803 645 1HD LYS 53 2HD LYS 53 15.904 1.567 2.745 646 2HD LYS 53 1HD LYS 53 17.241 1.148 1.677 647 1HE LYS 53 2HE LYS 53 17.327 -0.182 3.720 648 2HE LYS 53 1HE LYS 53 18.718 0.880 3.618 649 1HZ LYS 53 1HZ LYS 53 16.298 1.368 5.300 650 2HZ LYS 53 3HZ LYS 53 17.803 0.871 5.841 651 3HZ LYS 53 2HZ LYS 53 17.630 2.392 5.200 652 QB LYS 53 QB LYS 53 19.330 3.427 2.746 653 QD LYS 53 QD LYS 53 16.572 1.358 2.211 654 QG LYS 53 QG LYS 53 17.011 3.560 2.665 655 QE LYS 53 QE LYS 53 18.022 0.349 3.669 656 QZ LYS 53 QZ LYS 53 17.244 1.544 5.447 657 H ARG 54 H ARG 54 18.805 2.534 -1.482 658 HA ARG 54 HA ARG 54 19.238 -0.356 -1.202 659 1HB ARG 54 2HB ARG 54 17.134 1.159 -2.770 660 2HB ARG 54 1HB ARG 54 17.557 -0.502 -3.142 661 1HG ARG 54 2HG ARG 54 16.612 0.348 -0.422 662 2HG ARG 54 1HG ARG 54 15.504 -0.134 -1.707 663 1HD ARG 54 2HD ARG 54 17.765 -1.851 -0.658 664 2HD ARG 54 1HD ARG 54 16.087 -1.986 -0.134 665 HE ARG 54 HE ARG 54 16.067 -2.182 -2.896 666 1HH1 ARG 54 1HH1 ARG 54 17.468 -4.090 -0.244 667 2HH1 ARG 54 2HH1 ARG 54 17.331 -5.566 -1.075 668 1HH2 ARG 54 1HH2 ARG 54 15.887 -4.197 -4.006 669 2HH2 ARG 54 2HH2 ARG 54 16.413 -5.630 -3.274 670 QB ARG 54 QB ARG 54 17.346 0.329 -2.956 671 QG ARG 54 QG ARG 54 16.058 0.107 -1.064 672 QD ARG 54 QD ARG 54 16.926 -1.919 -0.396 673 QH1 ARG 54 QH1 ARG 54 17.399 -4.828 -0.659 674 QH2 ARG 54 QH2 ARG 54 16.150 -4.913 -3.640 675 H TYR 55 H TYR 55 20.495 -1.253 -2.893 676 HA TYR 55 HA TYR 55 22.067 0.643 -4.281 677 1HB TYR 55 2HB TYR 55 22.899 -1.469 -3.202 678 2HB TYR 55 1HB TYR 55 22.076 -2.376 -4.468 679 HD1 TYR 55 1HD TYR 55 24.456 0.370 -4.017 680 HD2 TYR 55 2HD TYR 55 23.259 -2.927 -6.336 681 HE1 TYR 55 1HE TYR 55 26.463 0.686 -5.447 682 HE2 TYR 55 2HE TYR 55 25.240 -2.664 -7.798 683 HH TYR 55 HH TYR 55 26.740 -0.836 -8.428 684 QB TYR 55 QB TYR 55 22.487 -1.922 -3.835 685 QD TYR 55 QD TYR 55 23.857 -1.279 -5.176 686 QE TYR 55 QE TYR 55 25.852 -0.989 -6.623 687 QR TYR 55 QR TYR 55 24.854 -1.134 -5.900 688 H SER 56 H SER 56 19.137 -0.812 -4.813 689 HA SER 56 HA SER 56 18.906 -1.583 -7.415 690 1HB SER 56 2HB SER 56 16.886 0.119 -5.978 691 2HB SER 56 1HB SER 56 16.596 -1.168 -7.153 692 HG SER 56 HG SER 56 17.737 -2.534 -5.551 693 QB SER 56 QB SER 56 16.741 -0.525 -6.566 694 H LEU 57 H LEU 57 19.162 1.702 -6.155 695 HA LEU 57 HA LEU 57 18.291 3.067 -8.482 696 1HB LEU 57 2HB LEU 57 20.023 4.020 -6.196 697 2HB LEU 57 1HB LEU 57 19.489 5.062 -7.495 698 HG LEU 57 HG LEU 57 17.106 4.546 -6.747 699 1HD1 LEU 57 1HD1 LEU 57 18.490 3.474 -4.311 700 2HD1 LEU 57 3HD1 LEU 57 16.766 3.818 -4.464 701 3HD1 LEU 57 2HD1 LEU 57 17.502 2.558 -5.449 702 1HD2 LEU 57 2HD2 LEU 57 18.944 5.987 -4.854 703 2HD2 LEU 57 1HD2 LEU 57 18.192 6.662 -6.297 704 3HD2 LEU 57 3HD2 LEU 57 17.191 6.170 -4.931 705 MD1 LEU 57 QD1 LEU 57 17.586 3.283 -4.741 706 MD2 LEU 57 QD2 LEU 57 18.109 6.273 -5.361 707 QB LEU 57 QB LEU 57 19.756 4.541 -6.846 708 QD LEU 57 QQD LEU 57 17.848 4.778 -5.051 709 H LEU 58 H LEU 58 21.357 1.708 -7.544 710 HA LEU 58 HA LEU 58 22.724 3.086 -9.710 711 1HB LEU 58 2HB LEU 58 23.756 1.143 -7.632 712 2HB LEU 58 1HB LEU 58 24.747 1.822 -8.899 713 HG LEU 58 HG LEU 58 25.279 3.017 -6.971 714 1HD1 LEU 58 2HD1 LEU 58 25.028 4.421 -8.899 715 2HD1 LEU 58 1HD1 LEU 58 23.346 4.734 -8.490 716 3HD1 LEU 58 3HD1 LEU 58 24.631 5.304 -7.426 717 1HD2 LEU 58 3HD2 LEU 58 23.413 2.368 -5.544 718 2HD2 LEU 58 2HD2 LEU 58 23.647 4.116 -5.492 719 3HD2 LEU 58 1HD2 LEU 58 22.331 3.428 -6.446 720 MD1 LEU 58 QD1 LEU 58 24.335 4.820 -8.272 721 MD2 LEU 58 QD2 LEU 58 23.130 3.304 -5.827 722 QB LEU 58 QB LEU 58 24.252 1.483 -8.266 723 QD LEU 58 QQD LEU 58 23.733 4.062 -7.050 724 H GLU 59 H GLU 59 21.054 0.276 -9.103 725 HA GLU 59 HA GLU 59 22.265 -1.214 -11.290 726 1HB GLU 59 2HB GLU 59 19.908 -1.877 -9.508 727 2HB GLU 59 1HB GLU 59 20.634 -2.967 -10.677 728 1HG GLU 59 2HG GLU 59 22.731 -2.905 -9.427 729 2HG GLU 59 1HG GLU 59 21.991 -1.824 -8.250 730 QB GLU 59 QB GLU 59 20.271 -2.422 -10.093 731 QG GLU 59 QG GLU 59 22.361 -2.364 -8.839 732 H HIS 60 H HIS 60 20.107 1.194 -10.877 733 HA HIS 60 HA HIS 60 18.256 0.466 -12.974 734 1HB HIS 60 2HB HIS 60 17.500 1.670 -10.905 735 2HB HIS 60 1HB HIS 60 18.502 3.031 -11.373 736 HD1 HIS 60 1HD HIS 60 17.587 4.548 -13.361 737 HD2 HIS 60 2HD HIS 60 15.092 1.421 -12.215 738 HE1 HIS 60 1HE HIS 60 15.361 5.032 -14.382 739 QB HIS 60 QB HIS 60 18.001 2.351 -11.139 740 H HIS 61 H HIS 61 19.609 0.375 -14.734 741 HA HIS 61 HA HIS 61 21.133 2.732 -15.471 742 1HB HIS 61 2HB HIS 61 22.054 0.418 -15.844 743 2HB HIS 61 1HB HIS 61 20.738 0.110 -16.963 744 HD1 HIS 61 1HD HIS 61 21.215 0.671 -19.390 745 HD2 HIS 61 2HD HIS 61 23.834 2.544 -16.758 746 HE1 HIS 61 1HE HIS 61 22.962 1.792 -20.816 747 QB HIS 61 QB HIS 61 21.396 0.264 -16.404 748 H HIS 62 H HIS 62 20.415 4.181 -16.914 749 HA HIS 62 HA HIS 62 18.272 3.627 -18.746 750 1HB HIS 62 2HB HIS 62 16.963 4.004 -16.689 751 2HB HIS 62 1HB HIS 62 17.790 5.527 -16.426 752 HD1 HIS 62 1HD HIS 62 14.817 4.076 -18.074 753 HD2 HIS 62 2HD HIS 62 17.060 7.564 -18.373 754 HE1 HIS 62 1HE HIS 62 13.371 5.744 -19.271 755 QB HIS 62 QB HIS 62 17.377 4.765 -16.558 756 H HIS 63 H HIS 63 20.056 6.182 -17.057 757 HA HIS 63 HA HIS 63 19.987 7.756 -19.504 758 1HB HIS 63 2HB HIS 63 20.692 9.649 -18.123 759 2HB HIS 63 1HB HIS 63 19.241 8.906 -17.477 760 HD1 HIS 63 1HD HIS 63 19.425 7.892 -15.083 761 HD2 HIS 63 2HD HIS 63 22.999 9.401 -16.565 762 HE1 HIS 63 1HE HIS 63 21.014 7.986 -13.128 763 QB HIS 63 QB HIS 63 19.966 9.277 -17.800 764 H HIS 64 H HIS 64 22.079 9.211 -19.563 765 HA HIS 64 HA HIS 64 24.494 7.714 -19.063 766 1HB HIS 64 2HB HIS 64 23.802 6.989 -21.321 767 2HB HIS 64 1HB HIS 64 23.666 8.653 -21.841 768 HD1 HIS 64 1HD HIS 64 25.826 9.733 -22.756 769 HD2 HIS 64 2HD HIS 64 26.462 6.086 -20.863 770 HE1 HIS 64 1HE HIS 64 28.172 9.061 -23.311 771 QB HIS 64 QB HIS 64 23.734 7.821 -21.581 No H/Q in entry = 771 Start of MODEL 8 1 H1 MET 1 1HT MET 1 8.218 -6.149 3.561 2 H2 MET 1 3HT MET 1 9.433 -7.309 3.625 3 H3 MET 1 2HT MET 1 8.936 -6.521 5.026 4 HA MET 1 HA MET 1 9.709 -4.409 4.169 5 1HB MET 1 2HB MET 1 11.237 -5.921 5.500 6 2HB MET 1 1HB MET 1 11.892 -6.490 3.971 7 1HG MET 1 2HG MET 1 13.340 -4.819 4.916 8 2HG MET 1 1HG MET 1 12.591 -4.202 3.444 9 1HE MET 1 1HE MET 1 13.356 -1.740 4.192 10 2HE MET 1 3HE MET 1 12.922 -1.016 5.741 11 3HE MET 1 2HE MET 1 14.038 -2.381 5.688 12 QB MET 1 QB MET 1 11.565 -6.205 4.735 13 QG MET 1 QG MET 1 12.966 -4.511 4.180 14 ME MET 1 QE MET 1 13.439 -1.712 5.207 15 H ASN 2 H ASN 2 10.947 -7.052 2.117 16 HA ASN 2 HA ASN 2 11.704 -5.457 -0.035 17 1HB ASN 2 2HB ASN 2 10.930 -8.382 0.135 18 2HB ASN 2 1HB ASN 2 11.551 -7.641 -1.334 19 1HD2 ASN 2 1HD2 ASN 2 13.362 -9.003 -1.319 20 2HD2 ASN 2 2HD2 ASN 2 14.668 -8.776 -0.226 21 QB ASN 2 QB ASN 2 11.240 -8.011 -0.599 22 QD ASN 2 QD2 ASN 2 14.015 -8.889 -0.773 23 H VAL 3 H VAL 3 10.768 -4.910 -1.929 24 HA VAL 3 HA VAL 3 8.241 -3.856 -1.560 25 HB VAL 3 HB VAL 3 8.292 -3.105 -3.912 26 1HG1 VAL 3 2HG1 VAL 3 10.844 -2.703 -2.364 27 2HG1 VAL 3 1HG1 VAL 3 10.278 -1.683 -3.684 28 3HG1 VAL 3 3HG1 VAL 3 9.355 -1.780 -2.187 29 1HG2 VAL 3 3HG2 VAL 3 9.417 -5.037 -4.910 30 2HG2 VAL 3 2HG2 VAL 3 10.276 -3.535 -5.276 31 3HG2 VAL 3 1HG2 VAL 3 10.894 -4.628 -4.038 32 MG1 VAL 3 QG1 VAL 3 10.159 -2.055 -2.745 33 MG2 VAL 3 QG2 VAL 3 10.196 -4.400 -4.742 34 QG VAL 3 QQG VAL 3 10.177 -3.228 -3.743 35 H THR 4 H THR 4 9.047 -6.876 -3.002 36 HA THR 4 HA THR 4 6.769 -7.320 -4.517 37 HB THR 4 HB THR 4 8.676 -8.851 -4.598 38 HG1 THR 4 1HG THR 4 7.145 -10.034 -5.340 39 1HG2 THR 4 3HG2 THR 4 9.284 -8.860 -2.223 40 2HG2 THR 4 2HG2 THR 4 7.817 -9.770 -1.856 41 3HG2 THR 4 1HG2 THR 4 9.092 -10.512 -2.824 42 MG THR 4 QG2 THR 4 8.731 -9.714 -2.301 43 H LYS 5 H LYS 5 7.166 -7.644 -1.038 44 HA LYS 5 HA LYS 5 4.530 -8.716 -0.668 45 1HB LYS 5 2HB LYS 5 6.650 -7.831 1.258 46 2HB LYS 5 1HB LYS 5 5.060 -8.364 1.788 47 1HG LYS 5 2HG LYS 5 6.999 -10.009 0.174 48 2HG LYS 5 1HG LYS 5 6.737 -10.152 1.913 49 1HD LYS 5 2HD LYS 5 4.355 -10.694 1.465 50 2HD LYS 5 1HD LYS 5 4.693 -10.647 -0.261 51 1HE LYS 5 2HE LYS 5 6.257 -12.462 -0.055 52 2HE LYS 5 1HE LYS 5 6.048 -12.489 1.696 53 1HZ LYS 5 1HZ LYS 5 3.877 -13.063 -0.273 54 2HZ LYS 5 3HZ LYS 5 4.742 -14.223 0.584 55 3HZ LYS 5 2HZ LYS 5 3.751 -13.138 1.388 56 QB LYS 5 QB LYS 5 5.855 -8.098 1.523 57 QD LYS 5 QD LYS 5 4.524 -10.670 0.602 58 QG LYS 5 QG LYS 5 6.868 -10.080 1.043 59 QE LYS 5 QE LYS 5 6.152 -12.475 0.820 60 QZ LYS 5 QZ LYS 5 4.123 -13.475 0.567 61 H LEU 6 H LEU 6 5.967 -5.614 -0.716 62 HA LEU 6 HA LEU 6 3.834 -4.276 0.633 63 1HB LEU 6 2HB LEU 6 6.197 -3.408 0.407 64 2HB LEU 6 1HB LEU 6 5.864 -3.144 -1.291 65 HG LEU 6 HG LEU 6 4.243 -1.380 -0.748 66 1HD1 LEU 6 1HD1 LEU 6 4.876 -2.022 2.127 67 2HD1 LEU 6 3HD1 LEU 6 3.902 -0.673 1.551 68 3HD1 LEU 6 2HD1 LEU 6 3.341 -2.326 1.312 69 1HD2 LEU 6 2HD2 LEU 6 6.621 -0.802 -0.915 70 2HD2 LEU 6 1HD2 LEU 6 5.765 0.225 0.242 71 3HD2 LEU 6 3HD2 LEU 6 6.801 -1.083 0.814 72 MD1 LEU 6 QD1 LEU 6 4.039 -1.673 1.663 73 MD2 LEU 6 QD2 LEU 6 6.396 -0.553 0.047 74 QB LEU 6 QB LEU 6 6.030 -3.276 -0.442 75 QD LEU 6 QQD LEU 6 5.218 -1.113 0.855 76 H ASN 7 H ASN 7 4.836 -4.712 -2.735 77 HA ASN 7 HA ASN 7 2.710 -3.466 -4.017 78 1HB ASN 7 2HB ASN 7 4.524 -5.708 -4.873 79 2HB ASN 7 1HB ASN 7 3.222 -5.176 -5.918 80 1HD2 ASN 7 1HD2 ASN 7 3.341 -3.120 -6.821 81 2HD2 ASN 7 2HD2 ASN 7 4.814 -2.238 -6.946 82 QB ASN 7 QB ASN 7 3.873 -5.442 -5.395 83 QD ASN 7 QD2 ASN 7 4.078 -2.679 -6.883 84 H ASP 8 H ASP 8 3.068 -6.811 -2.980 85 HA ASP 8 HA ASP 8 0.714 -7.895 -3.981 86 1HB ASP 8 2HB ASP 8 2.365 -9.350 -3.037 87 2HB ASP 8 1HB ASP 8 2.241 -8.562 -1.468 88 QB ASP 8 QB ASP 8 2.303 -8.956 -2.253 89 H ARG 9 H ARG 9 1.205 -6.226 -0.912 90 HA ARG 9 HA ARG 9 -1.475 -6.574 -0.062 91 1HB ARG 9 2HB ARG 9 0.746 -4.810 0.877 92 2HB ARG 9 1HB ARG 9 -0.879 -4.630 1.527 93 1HG ARG 9 2HG ARG 9 -0.868 -6.920 2.291 94 2HG ARG 9 1HG ARG 9 0.712 -7.178 1.552 95 1HD ARG 9 2HD ARG 9 0.220 -5.082 3.643 96 2HD ARG 9 1HD ARG 9 0.700 -6.730 4.042 97 HE ARG 9 HE ARG 9 2.600 -6.251 2.456 98 1HH1 ARG 9 1HH1 ARG 9 1.173 -3.662 4.455 99 2HH1 ARG 9 2HH1 ARG 9 2.655 -2.941 4.817 100 1HH2 ARG 9 1HH2 ARG 9 4.654 -5.216 2.969 101 2HH2 ARG 9 2HH2 ARG 9 4.673 -3.822 3.937 102 QB ARG 9 QB ARG 9 -0.067 -4.720 1.202 103 QG ARG 9 QG ARG 9 -0.078 -7.049 1.922 104 QD ARG 9 QD ARG 9 0.460 -5.906 3.842 105 QH1 ARG 9 QH1 ARG 9 1.914 -3.302 4.636 106 QH2 ARG 9 QH2 ARG 9 4.663 -4.519 3.453 107 H ILE 10 H ILE 10 0.078 -4.112 -1.978 108 HA ILE 10 HA ILE 10 -2.048 -2.227 -1.899 109 HB ILE 10 HB ILE 10 -0.110 -2.709 -4.195 110 1HG1 ILE 10 2HG1 ILE 10 0.123 -0.805 -1.884 111 2HG1 ILE 10 1HG1 ILE 10 1.037 -2.306 -2.016 112 1HG2 ILE 10 3HG2 ILE 10 -2.060 -1.315 -4.762 113 2HG2 ILE 10 2HG2 ILE 10 -1.684 -0.246 -3.413 114 3HG2 ILE 10 1HG2 ILE 10 -0.569 -0.369 -4.773 115 1HD1 ILE 10 1HD1 ILE 10 2.096 -1.422 -4.056 116 2HD1 ILE 10 3HD1 ILE 10 1.204 0.083 -3.838 117 3HD1 ILE 10 2HD1 ILE 10 2.406 -0.416 -2.642 118 MG ILE 10 QG2 ILE 10 -1.437 -0.643 -4.316 119 MD ILE 10 QD1 ILE 10 1.902 -0.585 -3.512 120 QG ILE 10 QG1 ILE 10 0.580 -1.555 -1.950 121 H GLU 11 H GLU 11 -1.172 -4.856 -4.033 122 HA GLU 11 HA GLU 11 -3.168 -4.692 -5.963 123 1HB GLU 11 2HB GLU 11 -1.047 -6.172 -5.780 124 2HB GLU 11 1HB GLU 11 -2.082 -7.289 -4.907 125 1HG GLU 11 2HG GLU 11 -2.024 -8.006 -7.149 126 2HG GLU 11 1HG GLU 11 -3.604 -7.259 -6.891 127 QB GLU 11 QB GLU 11 -1.564 -6.730 -5.344 128 QG GLU 11 QG GLU 11 -2.814 -7.633 -7.020 129 H ALA 12 H ALA 12 -3.003 -6.580 -2.986 130 HA ALA 12 HA ALA 12 -5.504 -7.802 -3.052 131 1HB ALA 12 1HB ALA 12 -3.674 -8.466 -1.571 132 2HB ALA 12 2HB ALA 12 -5.183 -8.224 -0.689 133 3HB ALA 12 3HB ALA 12 -3.915 -6.999 -0.625 134 MB ALA 12 QB ALA 12 -4.257 -7.896 -0.962 135 H LYS 13 H LYS 13 -4.560 -4.627 -1.894 136 HA LYS 13 HA LYS 13 -7.015 -4.193 -0.517 137 1HB LYS 13 2HB LYS 13 -4.616 -2.525 -1.061 138 2HB LYS 13 1HB LYS 13 -6.110 -1.697 -0.650 139 1HG LYS 13 2HG LYS 13 -4.962 -3.903 1.054 140 2HG LYS 13 1HG LYS 13 -4.544 -2.201 1.277 141 1HD LYS 13 2HD LYS 13 -6.888 -1.648 1.651 142 2HD LYS 13 1HD LYS 13 -7.359 -3.315 1.353 143 1HE LYS 13 2HE LYS 13 -5.505 -2.483 3.580 144 2HE LYS 13 1HE LYS 13 -7.253 -2.608 3.773 145 1HZ LYS 13 3HZ LYS 13 -7.108 -4.932 3.158 146 2HZ LYS 13 2HZ LYS 13 -5.403 -4.856 3.077 147 3HZ LYS 13 1HZ LYS 13 -6.194 -4.606 4.527 148 QB LYS 13 QB LYS 13 -5.363 -2.111 -0.855 149 QD LYS 13 QD LYS 13 -7.123 -2.481 1.502 150 QG LYS 13 QG LYS 13 -4.753 -3.052 1.166 151 QE LYS 13 QE LYS 13 -6.379 -2.545 3.677 152 QZ LYS 13 QZ LYS 13 -6.235 -4.798 3.587 153 H LYS 14 H LYS 14 -5.877 -3.554 -3.700 154 HA LYS 14 HA LYS 14 -7.830 -1.727 -4.578 155 1HB LYS 14 2HB LYS 14 -6.590 -3.995 -6.124 156 2HB LYS 14 1HB LYS 14 -7.384 -2.591 -6.810 157 1HG LYS 14 2HG LYS 14 -5.627 -1.163 -6.133 158 2HG LYS 14 1HG LYS 14 -4.906 -2.429 -5.122 159 1HD LYS 14 2HD LYS 14 -4.590 -3.784 -7.081 160 2HD LYS 14 1HD LYS 14 -5.211 -2.489 -8.116 161 1HE LYS 14 2HE LYS 14 -3.340 -1.059 -7.298 162 2HE LYS 14 1HE LYS 14 -2.751 -2.437 -6.369 163 1HZ LYS 14 2HZ LYS 14 -2.622 -3.682 -8.464 164 2HZ LYS 14 1HZ LYS 14 -2.991 -2.297 -9.316 165 3HZ LYS 14 3HZ LYS 14 -1.555 -2.363 -8.431 166 QB LYS 14 QB LYS 14 -6.987 -3.293 -6.467 167 QD LYS 14 QD LYS 14 -4.900 -3.137 -7.598 168 QG LYS 14 QG LYS 14 -5.267 -1.796 -5.627 169 QE LYS 14 QE LYS 14 -3.045 -1.748 -6.833 170 QZ LYS 14 QZ LYS 14 -2.389 -2.781 -8.737 171 H LYS 15 H LYS 15 -7.686 -5.247 -4.675 172 HA LYS 15 HA LYS 15 -10.236 -5.601 -5.914 173 1HB LYS 15 2HB LYS 15 -8.669 -7.663 -4.365 174 2HB LYS 15 1HB LYS 15 -9.861 -7.955 -5.621 175 1HG LYS 15 2HG LYS 15 -7.162 -6.667 -6.009 176 2HG LYS 15 1HG LYS 15 -7.598 -8.321 -6.419 177 1HD LYS 15 2HD LYS 15 -9.183 -7.512 -8.084 178 2HD LYS 15 1HD LYS 15 -8.857 -5.841 -7.615 179 1HE LYS 15 2HE LYS 15 -6.543 -6.072 -8.330 180 2HE LYS 15 1HE LYS 15 -6.819 -7.763 -8.736 181 1HZ LYS 15 3HZ LYS 15 -8.124 -5.435 -10.045 182 2HZ LYS 15 2HZ LYS 15 -6.870 -6.344 -10.700 183 3HZ LYS 15 1HZ LYS 15 -8.380 -7.057 -10.440 184 QB LYS 15 QB LYS 15 -9.265 -7.809 -4.993 185 QD LYS 15 QD LYS 15 -9.020 -6.676 -7.850 186 QG LYS 15 QG LYS 15 -7.380 -7.494 -6.214 187 QE LYS 15 QE LYS 15 -6.681 -6.917 -8.533 188 QZ LYS 15 QZ LYS 15 -7.791 -6.279 -10.395 189 H GLU 16 H GLU 16 -9.143 -5.293 -2.705 190 HA GLU 16 HA GLU 16 -11.377 -6.578 -1.429 191 1HB GLU 16 2HB GLU 16 -9.116 -6.587 -0.461 192 2HB GLU 16 1HB GLU 16 -9.179 -4.841 -0.323 193 1HG GLU 16 2HG GLU 16 -10.834 -4.956 1.357 194 2HG GLU 16 1HG GLU 16 -11.079 -6.686 1.081 195 QB GLU 16 QB GLU 16 -9.148 -5.714 -0.392 196 QG GLU 16 QG GLU 16 -10.956 -5.821 1.219 197 H LEU 17 H LEU 17 -10.250 -3.349 -2.145 198 HA LEU 17 HA LEU 17 -12.277 -1.931 -0.897 199 1HB LEU 17 2HB LEU 17 -10.367 -1.438 -3.068 200 2HB LEU 17 1HB LEU 17 -11.715 -0.337 -2.964 201 HG LEU 17 HG LEU 17 -9.682 -0.905 -0.786 202 1HD1 LEU 17 2HD1 LEU 17 -8.799 0.390 -2.664 203 2HD1 LEU 17 1HD1 LEU 17 -10.119 1.545 -2.473 204 3HD1 LEU 17 3HD1 LEU 17 -8.925 1.354 -1.189 205 1HD2 LEU 17 2HD2 LEU 17 -12.048 0.949 -0.883 206 2HD2 LEU 17 1HD2 LEU 17 -11.814 -0.376 0.235 207 3HD2 LEU 17 3HD2 LEU 17 -10.777 1.054 0.332 208 MD1 LEU 17 QD1 LEU 17 -9.281 1.096 -2.109 209 MD2 LEU 17 QD2 LEU 17 -11.546 0.542 -0.105 210 QB LEU 17 QB LEU 17 -11.041 -0.888 -3.016 211 QD LEU 17 QQD LEU 17 -10.414 0.819 -1.107 212 H ILE 18 H ILE 18 -12.095 -3.378 -4.082 213 HA ILE 18 HA ILE 18 -14.501 -2.425 -5.100 214 HB ILE 18 HB ILE 18 -13.185 -5.119 -5.589 215 1HG1 ILE 18 2HG1 ILE 18 -13.049 -2.528 -7.148 216 2HG1 ILE 18 1HG1 ILE 18 -11.786 -3.144 -6.094 217 1HG2 ILE 18 2HG2 ILE 18 -15.318 -3.700 -7.207 218 2HG2 ILE 18 1HG2 ILE 18 -14.480 -5.173 -7.694 219 3HG2 ILE 18 3HG2 ILE 18 -15.535 -5.181 -6.279 220 1HD1 ILE 18 1HD1 ILE 18 -12.788 -4.441 -8.621 221 2HD1 ILE 18 3HD1 ILE 18 -11.284 -3.546 -8.431 222 3HD1 ILE 18 2HD1 ILE 18 -11.511 -5.075 -7.581 223 MG ILE 18 QG2 ILE 18 -15.111 -4.685 -7.060 224 MD ILE 18 QD1 ILE 18 -11.861 -4.354 -8.211 225 QG ILE 18 QG1 ILE 18 -12.418 -2.836 -6.621 226 H TYR 19 H TYR 19 -13.864 -5.301 -3.145 227 HA TYR 19 HA TYR 19 -16.507 -6.249 -2.955 228 1HB TYR 19 2HB TYR 19 -14.710 -7.682 -2.209 229 2HB TYR 19 1HB TYR 19 -14.184 -6.503 -1.015 230 HD1 TYR 19 1HD TYR 19 -16.917 -8.876 -1.868 231 HD2 TYR 19 2HD TYR 19 -15.154 -6.473 1.171 232 HE1 TYR 19 1HE TYR 19 -18.371 -9.929 -0.179 233 HE2 TYR 19 2HE TYR 19 -16.601 -7.525 2.855 234 HH TYR 19 HH TYR 19 -18.338 -10.326 2.240 235 QB TYR 19 QB TYR 19 -14.447 -7.092 -1.612 236 QD TYR 19 QD TYR 19 -16.035 -7.674 -0.349 237 QE TYR 19 QE TYR 19 -17.486 -8.727 1.338 238 QR TYR 19 QR TYR 19 -16.761 -8.201 0.495 239 H LEU 20 H LEU 20 -14.737 -4.034 -0.850 240 HA LEU 20 HA LEU 20 -16.819 -3.645 0.995 241 1HB LEU 20 2HB LEU 20 -14.535 -1.797 0.314 242 2HB LEU 20 1HB LEU 20 -15.546 -1.723 1.745 243 HG LEU 20 HG LEU 20 -13.729 -4.036 1.078 244 1HD1 LEU 20 2HD1 LEU 20 -13.361 -1.767 3.011 245 2HD1 LEU 20 1HD1 LEU 20 -12.315 -3.180 2.864 246 3HD1 LEU 20 3HD1 LEU 20 -12.447 -2.041 1.526 247 1HD2 LEU 20 3HD2 LEU 20 -15.264 -3.353 3.587 248 2HD2 LEU 20 2HD2 LEU 20 -15.643 -4.666 2.473 249 3HD2 LEU 20 1HD2 LEU 20 -14.143 -4.702 3.397 250 MD1 LEU 20 QD1 LEU 20 -12.708 -2.329 2.467 251 MD2 LEU 20 QD2 LEU 20 -15.017 -4.240 3.152 252 QB LEU 20 QB LEU 20 -15.041 -1.760 1.029 253 QD LEU 20 QQD LEU 20 -13.862 -3.285 2.809 254 H VAL 21 H VAL 21 -15.875 -1.811 -1.882 255 HA VAL 21 HA VAL 21 -17.819 0.187 -1.703 256 HB VAL 21 HB VAL 21 -16.485 -1.011 -4.158 257 1HG1 VAL 21 1HG1 VAL 21 -18.187 1.481 -3.978 258 2HG1 VAL 21 3HG1 VAL 21 -17.265 0.962 -5.387 259 3HG1 VAL 21 2HG1 VAL 21 -18.621 -0.009 -4.815 260 1HG2 VAL 21 3HG2 VAL 21 -16.023 1.566 -2.654 261 2HG2 VAL 21 2HG2 VAL 21 -14.980 0.143 -2.642 262 3HG2 VAL 21 1HG2 VAL 21 -15.183 1.070 -4.125 263 MG1 VAL 21 QG1 VAL 21 -18.024 0.811 -4.727 264 MG2 VAL 21 QG2 VAL 21 -15.395 0.926 -3.140 265 QG VAL 21 QQG VAL 21 -16.710 0.869 -3.934 266 H GLU 22 H GLU 22 -17.984 -3.007 -3.244 267 HA GLU 22 HA GLU 22 -20.600 -2.573 -4.199 268 1HB GLU 22 2HB GLU 22 -19.195 -5.206 -3.746 269 2HB GLU 22 1HB GLU 22 -20.691 -5.007 -4.644 270 1HG GLU 22 2HG GLU 22 -19.362 -3.377 -6.119 271 2HG GLU 22 1HG GLU 22 -17.937 -4.063 -5.355 272 QB GLU 22 QB GLU 22 -19.943 -5.106 -4.195 273 QG GLU 22 QG GLU 22 -18.649 -3.720 -5.737 274 H LYS 23 H LYS 23 -19.400 -3.756 -1.185 275 HA LYS 23 HA LYS 23 -21.997 -4.626 -0.291 276 1HB LYS 23 2HB LYS 23 -19.386 -4.392 1.177 277 2HB LYS 23 1HB LYS 23 -20.859 -4.980 1.920 278 1HG LYS 23 2HG LYS 23 -19.497 -6.236 -0.461 279 2HG LYS 23 1HG LYS 23 -19.323 -6.779 1.205 280 1HD LYS 23 2HD LYS 23 -21.932 -6.693 -0.331 281 2HD LYS 23 1HD LYS 23 -20.939 -8.126 -0.102 282 1HE LYS 23 2HE LYS 23 -22.229 -6.519 2.121 283 2HE LYS 23 1HE LYS 23 -22.827 -8.041 1.471 284 1HZ LYS 23 3HZ LYS 23 -20.207 -7.683 2.842 285 2HZ LYS 23 2HZ LYS 23 -21.581 -8.365 3.512 286 3HZ LYS 23 1HZ LYS 23 -20.812 -9.125 2.219 287 QB LYS 23 QB LYS 23 -20.123 -4.686 1.549 288 QD LYS 23 QD LYS 23 -21.436 -7.409 -0.216 289 QG LYS 23 QG LYS 23 -19.410 -6.507 0.372 290 QE LYS 23 QE LYS 23 -22.528 -7.280 1.796 291 QZ LYS 23 QZ LYS 23 -20.866 -8.391 2.858 292 H TYR 24 H TYR 24 -19.913 -1.862 0.510 293 HA TYR 24 HA TYR 24 -22.112 -0.875 2.208 294 1HB TYR 24 2HB TYR 24 -19.221 -0.018 2.222 295 2HB TYR 24 1HB TYR 24 -20.472 0.469 3.353 296 HD1 TYR 24 1HD TYR 24 -21.386 -1.210 4.970 297 HD2 TYR 24 2HD TYR 24 -18.042 -2.032 2.483 298 HE1 TYR 24 1HE TYR 24 -20.762 -3.090 6.431 299 HE2 TYR 24 2HE TYR 24 -17.414 -3.904 3.929 300 HH TYR 24 HH TYR 24 -17.725 -4.723 6.078 301 QB TYR 24 QB TYR 24 -19.846 0.225 2.788 302 QD TYR 24 QD TYR 24 -19.714 -1.621 3.726 303 QE TYR 24 QE TYR 24 -19.088 -3.497 5.180 304 QR TYR 24 QR TYR 24 -19.401 -2.559 4.453 305 H GLY 25 H GLY 25 -19.951 0.001 -0.399 306 1HA GLY 25 1HA GLY 25 -21.443 2.522 -0.687 307 2HA GLY 25 2HA GLY 25 -20.786 1.597 -2.035 308 QA GLY 25 QA GLY 25 -21.115 2.059 -1.361 309 H PHE 26 H PHE 26 -20.231 4.320 -1.538 310 HA PHE 26 HA PHE 26 -17.313 4.158 -1.216 311 1HB PHE 26 2HB PHE 26 -19.033 6.244 -2.559 312 2HB PHE 26 1HB PHE 26 -17.292 6.344 -2.380 313 HD1 PHE 26 1HD PHE 26 -15.853 4.702 -3.590 314 HD2 PHE 26 2HD PHE 26 -20.035 5.039 -4.309 315 HE1 PHE 26 1HE PHE 26 -15.563 3.588 -5.763 316 HE2 PHE 26 2HE PHE 26 -19.755 3.916 -6.477 317 HZ PHE 26 HZ PHE 26 -17.515 3.198 -7.212 318 QB PHE 26 QB PHE 26 -18.163 6.294 -2.469 319 QD PHE 26 QD PHE 26 -17.944 4.870 -3.950 320 QE PHE 26 QE PHE 26 -17.659 3.752 -6.120 321 QR PHE 26 QR PHE 26 -17.744 4.088 -5.470 322 H THR 27 H THR 27 -20.107 5.334 0.364 323 HA THR 27 HA THR 27 -18.895 7.687 1.489 324 HB THR 27 HB THR 27 -21.487 6.359 2.319 325 HG1 THR 27 1HG THR 27 -22.424 7.243 0.596 326 1HG2 THR 27 1HG2 THR 27 -20.692 8.231 3.729 327 2HG2 THR 27 3HG2 THR 27 -20.594 9.256 2.294 328 3HG2 THR 27 2HG2 THR 27 -22.158 8.659 2.849 329 MG THR 27 QG2 THR 27 -21.148 8.715 2.957 330 H HIS 28 H HIS 28 -19.080 4.399 2.233 331 HA HIS 28 HA HIS 28 -19.022 4.362 5.017 332 1HB HIS 28 2HB HIS 28 -19.441 2.394 3.575 333 2HB HIS 28 1HB HIS 28 -17.745 2.390 3.118 334 HD1 HIS 28 1HD HIS 28 -20.048 1.479 5.950 335 HD2 HIS 28 2HD HIS 28 -16.006 1.381 5.029 336 HE1 HIS 28 1HE HIS 28 -18.958 -0.006 7.674 337 QB HIS 28 QB HIS 28 -18.593 2.392 3.346 338 H HIS 29 H HIS 29 -17.627 4.932 6.416 339 HA HIS 29 HA HIS 29 -15.406 6.485 5.897 340 1HB HIS 29 2HB HIS 29 -15.982 4.988 8.449 341 2HB HIS 29 1HB HIS 29 -14.934 6.390 8.298 342 HD1 HIS 29 1HD HIS 29 -16.157 8.733 8.017 343 HD2 HIS 29 2HD HIS 29 -18.680 5.481 8.508 344 HE1 HIS 29 1HE HIS 29 -18.437 9.686 8.488 345 QB HIS 29 QB HIS 29 -15.458 5.689 8.374 346 H LYS 30 H LYS 30 -15.445 3.044 6.802 347 HA LYS 30 HA LYS 30 -12.638 2.797 6.980 348 1HB LYS 30 2HB LYS 30 -14.669 0.634 6.364 349 2HB LYS 30 1HB LYS 30 -12.977 0.352 6.727 350 1HG LYS 30 2HG LYS 30 -13.300 1.283 8.964 351 2HG LYS 30 1HG LYS 30 -15.003 1.574 8.584 352 1HD LYS 30 2HD LYS 30 -15.357 -0.817 8.252 353 2HD LYS 30 1HD LYS 30 -13.653 -1.130 8.575 354 1HE LYS 30 2HE LYS 30 -15.620 0.059 10.536 355 2HE LYS 30 1HE LYS 30 -15.078 -1.615 10.518 356 1HZ LYS 30 3HZ LYS 30 -12.824 -0.852 10.954 357 2HZ LYS 30 2HZ LYS 30 -13.342 0.756 10.968 358 3HZ LYS 30 1HZ LYS 30 -13.881 -0.305 12.139 359 QB LYS 30 QB LYS 30 -13.823 0.493 6.546 360 QD LYS 30 QD LYS 30 -14.505 -0.974 8.413 361 QG LYS 30 QG LYS 30 -14.152 1.428 8.774 362 QE LYS 30 QE LYS 30 -15.349 -0.778 10.527 363 QZ LYS 30 QZ LYS 30 -13.349 -0.134 11.354 364 H VAL 31 H VAL 31 -14.852 2.524 4.270 365 HA VAL 31 HA VAL 31 -13.059 1.393 2.403 366 HB VAL 31 HB VAL 31 -15.484 3.180 1.938 367 1HG1 VAL 31 3HG1 VAL 31 -13.978 3.217 -0.013 368 2HG1 VAL 31 2HG1 VAL 31 -13.997 1.454 -0.048 369 3HG1 VAL 31 1HG1 VAL 31 -15.476 2.355 -0.370 370 1HG2 VAL 31 2HG2 VAL 31 -15.995 1.066 3.046 371 2HG2 VAL 31 1HG2 VAL 31 -16.622 1.072 1.394 372 3HG2 VAL 31 3HG2 VAL 31 -15.136 0.205 1.776 373 MG1 VAL 31 QG1 VAL 31 -14.484 2.342 -0.144 374 MG2 VAL 31 QG2 VAL 31 -15.917 0.781 2.072 375 QG VAL 31 QQG VAL 31 -15.201 1.562 0.964 376 H ILE 32 H ILE 32 -13.941 4.712 3.161 377 HA ILE 32 HA ILE 32 -12.231 6.005 1.349 378 HB ILE 32 HB ILE 32 -13.055 6.978 4.109 379 1HG1 ILE 32 2HG1 ILE 32 -14.442 7.400 1.446 380 2HG1 ILE 32 1HG1 ILE 32 -14.993 6.302 2.703 381 1HG2 ILE 32 3HG2 ILE 32 -12.178 8.507 1.647 382 2HG2 ILE 32 2HG2 ILE 32 -12.738 9.230 3.154 383 3HG2 ILE 32 1HG2 ILE 32 -11.240 8.297 3.129 384 1HD1 ILE 32 3HD1 ILE 32 -14.781 9.299 2.934 385 2HD1 ILE 32 2HD1 ILE 32 -16.264 8.371 2.704 386 3HD1 ILE 32 1HD1 ILE 32 -15.344 8.210 4.201 387 MG ILE 32 QG2 ILE 32 -12.052 8.678 2.643 388 MD ILE 32 QD1 ILE 32 -15.463 8.626 3.280 389 QG ILE 32 QG1 ILE 32 -14.717 6.851 2.075 390 H SER 33 H SER 33 -11.763 5.009 4.694 391 HA SER 33 HA SER 33 -9.155 5.928 5.059 392 1HB SER 33 2HB SER 33 -10.535 3.570 6.352 393 2HB SER 33 1HB SER 33 -9.094 4.375 6.972 394 HG SER 33 HG SER 33 -11.689 5.516 6.625 395 QB SER 33 QB SER 33 -9.814 3.972 6.662 396 H PHE 34 H PHE 34 -10.283 2.781 3.795 397 HA PHE 34 HA PHE 34 -7.639 1.753 3.549 398 1HB PHE 34 2HB PHE 34 -10.192 0.802 2.244 399 2HB PHE 34 1HB PHE 34 -8.654 -0.047 2.143 400 HD1 PHE 34 1HD PHE 34 -7.637 -0.078 4.828 401 HD2 PHE 34 2HD PHE 34 -11.656 -0.358 3.489 402 HE1 PHE 34 1HE PHE 34 -8.235 -1.316 6.873 403 HE2 PHE 34 2HE PHE 34 -12.268 -1.573 5.505 404 HZ PHE 34 HZ PHE 34 -10.552 -2.066 7.222 405 QB PHE 34 QB PHE 34 -9.423 0.377 2.194 406 QD PHE 34 QD PHE 34 -9.647 -0.218 4.159 407 QE PHE 34 QE PHE 34 -10.251 -1.444 6.189 408 QR PHE 34 QR PHE 34 -10.069 -1.078 5.583 409 H SER 35 H SER 35 -9.725 3.592 1.448 410 HA SER 35 HA SER 35 -8.235 3.261 -0.927 411 1HB SER 35 2HB SER 35 -9.860 5.670 -0.033 412 2HB SER 35 1HB SER 35 -9.363 5.324 -1.690 413 HG SER 35 HG SER 35 -11.076 3.697 -0.088 414 QB SER 35 QB SER 35 -9.611 5.497 -0.861 415 H GLN 36 H GLN 36 -8.011 5.474 1.758 416 HA GLN 36 HA GLN 36 -5.832 7.036 0.830 417 1HB GLN 36 2HB GLN 36 -6.782 6.487 3.648 418 2HB GLN 36 1HB GLN 36 -5.688 7.781 3.171 419 1HG GLN 36 2HG GLN 36 -7.401 8.887 1.950 420 2HG GLN 36 1HG GLN 36 -8.485 7.508 2.116 421 1HE2 GLN 36 1HE2 GLN 36 -8.916 10.225 2.844 422 2HE2 GLN 36 2HE2 GLN 36 -9.285 10.262 4.527 423 QB GLN 36 QB GLN 36 -6.235 7.134 3.410 424 QG GLN 36 QG GLN 36 -7.943 8.197 2.033 425 QE GLN 36 QE2 GLN 36 -9.100 10.243 3.685 426 H GLU 37 H GLU 37 -6.133 4.064 2.669 427 HA GLU 37 HA GLU 37 -3.473 3.749 3.533 428 1HB GLU 37 2HB GLU 37 -5.443 2.473 4.384 429 2HB GLU 37 1HB GLU 37 -5.520 1.635 2.843 430 1HG GLU 37 2HG GLU 37 -4.476 0.183 4.366 431 2HG GLU 37 1HG GLU 37 -3.215 0.798 3.290 432 QB GLU 37 QB GLU 37 -5.481 2.054 3.614 433 QG GLU 37 QG GLU 37 -3.846 0.491 3.828 434 H LEU 38 H LEU 38 -5.242 2.462 0.748 435 HA LEU 38 HA LEU 38 -3.191 1.064 -0.540 436 1HB LEU 38 2HB LEU 38 -5.678 0.980 -0.997 437 2HB LEU 38 1HB LEU 38 -5.538 2.516 -1.795 438 HG LEU 38 HG LEU 38 -4.204 -0.030 -2.785 439 1HD1 LEU 38 3HD1 LEU 38 -6.785 1.260 -3.620 440 2HD1 LEU 38 2HD1 LEU 38 -6.002 -0.091 -4.433 441 3HD1 LEU 38 1HD1 LEU 38 -6.601 -0.281 -2.787 442 1HD2 LEU 38 1HD2 LEU 38 -3.159 2.047 -3.632 443 2HD2 LEU 38 3HD2 LEU 38 -4.005 1.175 -4.910 444 3HD2 LEU 38 2HD2 LEU 38 -4.740 2.604 -4.187 445 MD1 LEU 38 QD1 LEU 38 -6.463 0.296 -3.613 446 MD2 LEU 38 QD2 LEU 38 -3.968 1.942 -4.243 447 QB LEU 38 QB LEU 38 -5.608 1.748 -1.396 448 QD LEU 38 QQD LEU 38 -5.215 1.119 -3.928 449 H ASP 39 H ASP 39 -4.307 4.381 -0.915 450 HA ASP 39 HA ASP 39 -2.538 5.243 -2.908 451 1HB ASP 39 2HB ASP 39 -4.461 6.579 -2.297 452 2HB ASP 39 1HB ASP 39 -3.843 6.790 -0.663 453 QB ASP 39 QB ASP 39 -4.152 6.684 -1.480 454 H ARG 40 H ARG 40 -2.241 5.207 0.581 455 HA ARG 40 HA ARG 40 0.268 6.484 0.682 456 1HB ARG 40 2HB ARG 40 -1.257 6.413 2.607 457 2HB ARG 40 1HB ARG 40 -1.062 4.672 2.708 458 1HG ARG 40 2HG ARG 40 0.263 5.773 4.402 459 2HG ARG 40 1HG ARG 40 1.313 4.982 3.225 460 1HD ARG 40 2HD ARG 40 1.635 7.153 2.097 461 2HD ARG 40 1HD ARG 40 0.643 7.921 3.343 462 HE ARG 40 HE ARG 40 2.526 6.625 4.752 463 1HH1 ARG 40 1HH1 ARG 40 2.689 9.070 2.188 464 2HH1 ARG 40 2HH1 ARG 40 4.246 9.589 2.613 465 1HH2 ARG 40 1HH2 ARG 40 4.633 7.353 5.324 466 2HH2 ARG 40 2HH2 ARG 40 5.394 8.586 4.419 467 QB ARG 40 QB ARG 40 -1.159 5.543 2.657 468 QG ARG 40 QG ARG 40 0.788 5.378 3.814 469 QD ARG 40 QD ARG 40 1.139 7.537 2.720 470 QH1 ARG 40 QH1 ARG 40 3.467 9.329 2.400 471 QH2 ARG 40 QH2 ARG 40 5.014 7.969 4.871 472 H LEU 41 H LEU 41 -0.726 3.086 0.581 473 HA LEU 41 HA LEU 41 1.818 1.925 0.918 474 1HB LEU 41 2HB LEU 41 -0.566 0.892 -0.641 475 2HB LEU 41 1HB LEU 41 0.885 -0.026 -0.288 476 HG LEU 41 HG LEU 41 -0.967 1.032 1.846 477 1HD1 LEU 41 2HD1 LEU 41 -2.123 -0.594 0.413 478 2HD1 LEU 41 1HD1 LEU 41 -0.790 -1.727 0.629 479 3HD1 LEU 41 3HD1 LEU 41 -1.786 -1.268 2.009 480 1HD2 LEU 41 2HD2 LEU 41 1.341 0.605 2.573 481 2HD2 LEU 41 1HD2 LEU 41 0.222 -0.566 3.262 482 3HD2 LEU 41 3HD2 LEU 41 1.244 -1.026 1.903 483 MD1 LEU 41 QD1 LEU 41 -1.566 -1.196 1.017 484 MD2 LEU 41 QD2 LEU 41 0.936 -0.329 2.579 485 QB LEU 41 QB LEU 41 0.160 0.433 -0.464 486 QD LEU 41 QQD LEU 41 -0.315 -0.763 1.798 487 H LEU 42 H LEU 42 0.084 2.928 -1.986 488 HA LEU 42 HA LEU 42 2.034 2.256 -3.900 489 1HB LEU 42 2HB LEU 42 -0.227 2.949 -4.516 490 2HB LEU 42 1HB LEU 42 0.065 4.545 -3.863 491 HG LEU 42 HG LEU 42 1.862 4.817 -5.602 492 1HD1 LEU 42 3HD1 LEU 42 0.623 2.339 -6.769 493 2HD1 LEU 42 2HD1 LEU 42 1.764 3.401 -7.585 494 3HD1 LEU 42 1HD1 LEU 42 2.266 2.508 -6.149 495 1HD2 LEU 42 2HD2 LEU 42 -0.972 4.423 -6.533 496 2HD2 LEU 42 1HD2 LEU 42 -0.280 5.885 -5.822 497 3HD2 LEU 42 3HD2 LEU 42 0.276 5.329 -7.399 498 MD1 LEU 42 QD1 LEU 42 1.551 2.750 -6.834 499 MD2 LEU 42 QD2 LEU 42 -0.325 5.212 -6.584 500 QB LEU 42 QB LEU 42 -0.081 3.747 -4.189 501 QD LEU 42 QQD LEU 42 0.613 3.981 -6.709 502 H ASN 43 H ASN 43 1.508 5.184 -2.002 503 HA ASN 43 HA ASN 43 3.599 6.678 -3.078 504 1HB ASN 43 2HB ASN 43 1.694 7.634 -1.811 505 2HB ASN 43 1HB ASN 43 2.367 6.947 -0.336 506 1HD2 ASN 43 1HD2 ASN 43 2.848 9.238 -2.869 507 2HD2 ASN 43 2HD2 ASN 43 3.985 10.249 -2.047 508 QB ASN 43 QB ASN 43 2.031 7.290 -1.074 509 QD ASN 43 QD2 ASN 43 3.416 9.744 -2.458 510 H LEU 44 H LEU 44 3.593 4.223 -0.630 511 HA LEU 44 HA LEU 44 6.118 4.778 0.496 512 1HB LEU 44 2HB LEU 44 4.640 2.183 0.166 513 2HB LEU 44 1HB LEU 44 6.081 2.300 1.134 514 HG LEU 44 HG LEU 44 3.404 3.602 1.638 515 1HD1 LEU 44 3HD1 LEU 44 4.943 1.522 3.172 516 2HD1 LEU 44 2HD1 LEU 44 3.420 2.255 3.673 517 3HD1 LEU 44 1HD1 LEU 44 3.486 1.267 2.212 518 1HD2 LEU 44 3HD2 LEU 44 5.970 3.931 3.202 519 2HD2 LEU 44 2HD2 LEU 44 5.112 5.185 2.302 520 3HD2 LEU 44 1HD2 LEU 44 4.376 4.473 3.729 521 MD1 LEU 44 QD1 LEU 44 3.950 1.682 3.019 522 MD2 LEU 44 QD2 LEU 44 5.153 4.530 3.078 523 QB LEU 44 QB LEU 44 5.361 2.242 0.650 524 QD LEU 44 QQD LEU 44 4.551 3.106 3.049 525 H LEU 45 H LEU 45 5.148 2.929 -2.330 526 HA LEU 45 HA LEU 45 7.729 1.955 -3.046 527 1HB LEU 45 2HB LEU 45 5.372 2.590 -4.821 528 2HB LEU 45 1HB LEU 45 6.774 1.665 -5.296 529 HG LEU 45 HG LEU 45 4.766 0.816 -3.206 530 1HD1 LEU 45 3HD1 LEU 45 5.186 -0.061 -6.055 531 2HD1 LEU 45 2HD1 LEU 45 4.065 -0.795 -4.910 532 3HD1 LEU 45 1HD1 LEU 45 3.816 0.865 -5.446 533 1HD2 LEU 45 2HD2 LEU 45 7.038 -0.091 -2.850 534 2HD2 LEU 45 1HD2 LEU 45 5.885 -1.337 -3.328 535 3HD2 LEU 45 3HD2 LEU 45 7.027 -0.698 -4.506 536 MD1 LEU 45 QD1 LEU 45 4.356 0.003 -5.470 537 MD2 LEU 45 QD2 LEU 45 6.650 -0.709 -3.561 538 QB LEU 45 QB LEU 45 6.073 2.128 -5.058 539 QD LEU 45 QQD LEU 45 5.503 -0.353 -4.516 540 H ILE 46 H ILE 46 5.862 4.801 -3.809 541 HA ILE 46 HA ILE 46 7.614 5.973 -5.669 542 HB ILE 46 HB ILE 46 5.616 7.313 -3.813 543 1HG1 ILE 46 2HG1 ILE 46 5.322 6.422 -6.695 544 2HG1 ILE 46 1HG1 ILE 46 4.620 5.611 -5.304 545 1HG2 ILE 46 2HG2 ILE 46 6.942 8.369 -6.318 546 2HG2 ILE 46 1HG2 ILE 46 5.656 9.177 -5.422 547 3HG2 ILE 46 3HG2 ILE 46 7.231 8.925 -4.669 548 1HD1 ILE 46 2HD1 ILE 46 3.258 7.593 -4.856 549 2HD1 ILE 46 1HD1 ILE 46 3.959 8.382 -6.268 550 3HD1 ILE 46 3HD1 ILE 46 2.966 6.936 -6.467 551 MG ILE 46 QG2 ILE 46 6.610 8.824 -5.469 552 MD ILE 46 QD1 ILE 46 3.394 7.637 -5.864 553 QG ILE 46 QG1 ILE 46 4.971 6.016 -6.000 554 H GLU 47 H GLU 47 7.237 6.456 -2.169 555 HA GLU 47 HA GLU 47 9.262 8.332 -1.957 556 1HB GLU 47 2HB GLU 47 7.959 6.604 0.096 557 2HB GLU 47 1HB GLU 47 9.295 7.672 0.519 558 1HG GLU 47 2HG GLU 47 6.669 8.475 -0.697 559 2HG GLU 47 1HG GLU 47 7.212 8.782 0.957 560 QB GLU 47 QB GLU 47 8.627 7.138 0.307 561 QG GLU 47 QG GLU 47 6.941 8.629 0.130 562 H LEU 48 H LEU 48 9.510 4.853 -1.864 563 HA LEU 48 HA LEU 48 12.145 4.721 -0.938 564 1HB LEU 48 2HB LEU 48 10.759 2.990 -2.937 565 2HB LEU 48 1HB LEU 48 12.320 2.635 -2.222 566 HG LEU 48 HG LEU 48 9.647 2.736 -0.845 567 1HD1 LEU 48 3HD1 LEU 48 11.770 0.743 -1.203 568 2HD1 LEU 48 2HD1 LEU 48 10.279 0.466 -0.264 569 3HD1 LEU 48 1HD1 LEU 48 10.210 0.740 -2.032 570 1HD2 LEU 48 3HD2 LEU 48 12.390 2.511 0.421 571 2HD2 LEU 48 2HD2 LEU 48 11.237 3.832 0.648 572 3HD2 LEU 48 1HD2 LEU 48 10.857 2.226 1.240 573 MD1 LEU 48 QD1 LEU 48 10.753 0.649 -1.166 574 MD2 LEU 48 QD2 LEU 48 11.495 2.856 0.770 575 QB LEU 48 QB LEU 48 11.540 2.813 -2.579 576 QD LEU 48 QQD LEU 48 11.124 1.753 -0.198 577 H LYS 49 H LYS 49 10.846 5.234 -4.134 578 HA LYS 49 HA LYS 49 13.368 5.462 -5.443 579 1HB LYS 49 2HB LYS 49 10.642 6.395 -6.352 580 2HB LYS 49 1HB LYS 49 12.067 6.214 -7.368 581 1HG LYS 49 2HG LYS 49 12.084 3.811 -6.925 582 2HG LYS 49 1HG LYS 49 10.660 3.997 -5.902 583 1HD LYS 49 2HD LYS 49 9.427 4.872 -7.862 584 2HD LYS 49 1HD LYS 49 10.844 4.541 -8.857 585 1HE LYS 49 2HE LYS 49 9.241 2.724 -9.054 586 2HE LYS 49 1HE LYS 49 10.715 2.168 -8.264 587 1HZ LYS 49 3HZ LYS 49 8.200 2.923 -6.894 588 2HZ LYS 49 2HZ LYS 49 8.705 1.352 -7.176 589 3HZ LYS 49 1HZ LYS 49 9.591 2.342 -6.126 590 QB LYS 49 QB LYS 49 11.355 6.305 -6.860 591 QD LYS 49 QD LYS 49 10.136 4.706 -8.359 592 QG LYS 49 QG LYS 49 11.372 3.904 -6.414 593 QE LYS 49 QE LYS 49 9.978 2.446 -8.659 594 QZ LYS 49 QZ LYS 49 8.832 2.206 -6.732 595 H THR 50 H THR 50 11.134 7.734 -3.933 596 HA THR 50 HA THR 50 12.282 10.143 -4.786 597 HB THR 50 HB THR 50 11.000 9.560 -2.095 598 HG1 THR 50 1HG THR 50 9.093 10.032 -3.016 599 1HG2 THR 50 2HG2 THR 50 12.204 11.707 -2.187 600 2HG2 THR 50 1HG2 THR 50 11.277 12.165 -3.609 601 3HG2 THR 50 3HG2 THR 50 10.461 11.950 -2.060 602 MG THR 50 QG2 THR 50 11.314 11.940 -2.619 603 H LYS 51 H LYS 51 12.985 8.064 -2.016 604 HA LYS 51 HA LYS 51 15.036 9.654 -0.922 605 1HB LYS 51 2HB LYS 51 14.555 6.676 -0.663 606 2HB LYS 51 1HB LYS 51 15.607 7.634 0.369 607 1HG LYS 51 2HG LYS 51 13.728 8.866 1.219 608 2HG LYS 51 1HG LYS 51 12.645 8.041 0.094 609 1HD LYS 51 2HD LYS 51 13.227 5.898 1.189 610 2HD LYS 51 1HD LYS 51 14.191 6.798 2.363 611 1HE LYS 51 2HE LYS 51 11.216 7.079 1.892 612 2HE LYS 51 1HE LYS 51 11.972 6.283 3.269 613 1HZ LYS 51 1HZ LYS 51 12.948 8.428 3.886 614 2HZ LYS 51 3HZ LYS 51 12.130 9.181 2.607 615 3HZ LYS 51 2HZ LYS 51 11.277 8.466 3.871 616 QB LYS 51 QB LYS 51 15.081 7.155 -0.147 617 QD LYS 51 QD LYS 51 13.709 6.348 1.776 618 QG LYS 51 QG LYS 51 13.187 8.453 0.657 619 QE LYS 51 QE LYS 51 11.594 6.681 2.580 620 QZ LYS 51 QZ LYS 51 12.118 8.692 3.455 621 H LYS 52 H LYS 52 14.979 6.806 -3.006 622 HA LYS 52 HA LYS 52 16.381 5.702 -4.267 623 1HB LYS 52 2HB LYS 52 17.710 6.902 -5.939 624 2HB LYS 52 1HB LYS 52 16.097 7.554 -5.772 625 1HG LYS 52 2HG LYS 52 16.994 9.443 -4.509 626 2HG LYS 52 1HG LYS 52 18.617 8.759 -4.662 627 1HD LYS 52 2HD LYS 52 16.882 9.418 -7.018 628 2HD LYS 52 1HD LYS 52 18.027 10.587 -6.337 629 1HE LYS 52 2HE LYS 52 18.689 7.863 -7.491 630 2HE LYS 52 1HE LYS 52 18.910 9.404 -8.303 631 1HZ LYS 52 1HZ LYS 52 20.298 8.568 -5.812 632 2HZ LYS 52 3HZ LYS 52 20.956 8.590 -7.358 633 3HZ LYS 52 2HZ LYS 52 20.518 10.034 -6.605 634 QB LYS 52 QB LYS 52 16.903 7.228 -5.856 635 QD LYS 52 QD LYS 52 17.454 10.002 -6.678 636 QG LYS 52 QG LYS 52 17.806 9.101 -4.586 637 QE LYS 52 QE LYS 52 18.799 8.634 -7.897 638 QZ LYS 52 QZ LYS 52 20.590 9.064 -6.592 639 H LYS 53 H LYS 53 17.546 6.867 -1.642 640 HA LYS 53 HA LYS 53 20.306 6.010 -1.977 641 1HB LYS 53 2HB LYS 53 20.547 6.815 0.345 642 2HB LYS 53 1HB LYS 53 19.935 8.051 -0.741 643 1HG LYS 53 2HG LYS 53 17.641 7.607 0.090 644 2HG LYS 53 1HG LYS 53 18.309 6.459 1.250 645 1HD LYS 53 2HD LYS 53 18.951 9.408 1.087 646 2HD LYS 53 1HD LYS 53 17.900 8.650 2.283 647 1HE LYS 53 2HE LYS 53 19.799 7.362 3.136 648 2HE LYS 53 1HE LYS 53 20.841 8.075 1.911 649 1HZ LYS 53 2HZ LYS 53 20.404 10.253 2.902 650 2HZ LYS 53 1HZ LYS 53 19.483 9.535 4.110 651 3HZ LYS 53 3HZ LYS 53 21.130 9.207 3.989 652 QB LYS 53 QB LYS 53 20.241 7.433 -0.198 653 QD LYS 53 QD LYS 53 18.425 9.029 1.685 654 QG LYS 53 QG LYS 53 17.975 7.033 0.670 655 QE LYS 53 QE LYS 53 20.320 7.719 2.524 656 QZ LYS 53 QZ LYS 53 20.339 9.665 3.667 657 H ARG 54 H ARG 54 17.857 4.340 -2.023 658 HA ARG 54 HA ARG 54 18.134 2.654 0.321 659 1HB ARG 54 2HB ARG 54 16.284 2.393 -2.063 660 2HB ARG 54 1HB ARG 54 16.234 1.401 -0.619 661 1HG ARG 54 2HG ARG 54 15.704 4.373 -0.716 662 2HG ARG 54 1HG ARG 54 14.471 3.117 -0.657 663 1HD ARG 54 2HD ARG 54 16.565 3.612 1.467 664 2HD ARG 54 1HD ARG 54 14.889 4.143 1.544 665 HE ARG 54 HE ARG 54 14.935 1.370 1.130 666 1HH1 ARG 54 1HH1 ARG 54 15.673 3.728 3.688 667 2HH1 ARG 54 2HH1 ARG 54 15.399 2.634 4.955 668 1HH2 ARG 54 1HH2 ARG 54 14.565 -0.164 2.991 669 2HH2 ARG 54 2HH2 ARG 54 14.791 0.482 4.553 670 QB ARG 54 QB ARG 54 16.259 1.897 -1.341 671 QG ARG 54 QG ARG 54 15.088 3.745 -0.687 672 QD ARG 54 QD ARG 54 15.727 3.877 1.505 673 QH1 ARG 54 QH1 ARG 54 15.536 3.181 4.322 674 QH2 ARG 54 QH2 ARG 54 14.678 0.159 3.772 675 H TYR 55 H TYR 55 18.935 0.664 0.244 676 HA TYR 55 HA TYR 55 21.018 -0.133 -1.289 677 1HB TYR 55 2HB TYR 55 20.388 -2.491 -0.437 678 2HB TYR 55 1HB TYR 55 20.731 -1.231 0.747 679 HD1 TYR 55 1HD TYR 55 19.074 -0.443 2.207 680 HD2 TYR 55 2HD TYR 55 18.009 -3.147 -0.877 681 HE1 TYR 55 1HE TYR 55 16.852 -0.708 3.228 682 HE2 TYR 55 2HE TYR 55 15.774 -3.433 0.132 683 HH TYR 55 HH TYR 55 14.711 -3.154 2.308 684 QB TYR 55 QB TYR 55 20.559 -1.861 0.155 685 QD TYR 55 QD TYR 55 18.541 -1.795 0.665 686 QE TYR 55 QE TYR 55 16.313 -2.070 1.680 687 QR TYR 55 QR TYR 55 17.427 -1.933 1.172 688 H SER 56 H SER 56 17.707 -0.306 -2.334 689 HA SER 56 HA SER 56 17.874 -2.511 -4.045 690 1HB SER 56 2HB SER 56 15.784 -1.326 -4.969 691 2HB SER 56 1HB SER 56 15.755 -1.911 -3.301 692 HG SER 56 HG SER 56 15.252 0.464 -4.095 693 QB SER 56 QB SER 56 15.769 -1.618 -4.135 694 H LEU 57 H LEU 57 19.050 0.729 -4.343 695 HA LEU 57 HA LEU 57 19.365 0.370 -7.236 696 1HB LEU 57 2HB LEU 57 19.868 2.819 -5.536 697 2HB LEU 57 1HB LEU 57 20.081 2.734 -7.268 698 HG LEU 57 HG LEU 57 17.473 2.579 -5.750 699 1HD1 LEU 57 3HD1 LEU 57 18.394 4.822 -5.944 700 2HD1 LEU 57 2HD1 LEU 57 18.552 4.627 -7.683 701 3HD1 LEU 57 1HD1 LEU 57 16.958 4.655 -6.944 702 1HD2 LEU 57 3HD2 LEU 57 17.962 2.352 -8.722 703 2HD2 LEU 57 2HD2 LEU 57 17.382 1.064 -7.661 704 3HD2 LEU 57 1HD2 LEU 57 16.383 2.487 -7.944 705 MD1 LEU 57 QD1 LEU 57 17.968 4.701 -6.857 706 MD2 LEU 57 QD2 LEU 57 17.242 1.968 -8.109 707 QB LEU 57 QB LEU 57 19.975 2.776 -6.402 708 QD LEU 57 QQD LEU 57 17.605 3.334 -7.483 709 H LEU 58 H LEU 58 20.943 -0.437 -4.558 710 HA LEU 58 HA LEU 58 23.602 0.161 -5.650 711 1HB LEU 58 2HB LEU 58 22.743 -0.501 -2.842 712 2HB LEU 58 1HB LEU 58 24.424 -0.484 -3.310 713 HG LEU 58 HG LEU 58 24.156 1.976 -3.872 714 1HD1 LEU 58 3HD1 LEU 58 21.743 2.030 -4.136 715 2HD1 LEU 58 2HD1 LEU 58 21.544 1.678 -2.423 716 3HD1 LEU 58 1HD1 LEU 58 22.286 3.202 -2.928 717 1HD2 LEU 58 1HD2 LEU 58 23.607 1.151 -1.035 718 2HD2 LEU 58 3HD2 LEU 58 25.192 1.259 -1.801 719 3HD2 LEU 58 2HD2 LEU 58 24.234 2.719 -1.545 720 MD1 LEU 58 QD1 LEU 58 21.858 2.303 -3.162 721 MD2 LEU 58 QD2 LEU 58 24.344 1.710 -1.460 722 QB LEU 58 QB LEU 58 23.583 -0.493 -3.076 723 QD LEU 58 QQD LEU 58 23.101 2.007 -2.311 724 H GLU 59 H GLU 59 21.977 -2.306 -3.733 725 HA GLU 59 HA GLU 59 21.708 -4.466 -3.847 726 1HB GLU 59 2HB GLU 59 22.551 -4.082 -6.645 727 2HB GLU 59 1HB GLU 59 21.700 -5.515 -6.027 728 1HG GLU 59 2HG GLU 59 19.778 -4.141 -5.488 729 2HG GLU 59 1HG GLU 59 20.663 -2.693 -5.954 730 QB GLU 59 QB GLU 59 22.126 -4.799 -6.336 731 QG GLU 59 QG GLU 59 20.221 -3.417 -5.721 732 H HIS 60 H HIS 60 24.561 -4.013 -5.724 733 HA HIS 60 HA HIS 60 25.540 -6.546 -4.664 734 1HB HIS 60 2HB HIS 60 25.718 -5.988 -7.123 735 2HB HIS 60 1HB HIS 60 26.971 -4.830 -6.695 736 HD1 HIS 60 1HD HIS 60 29.152 -5.891 -7.461 737 HD2 HIS 60 2HD HIS 60 26.608 -8.624 -5.629 738 HE1 HIS 60 1HE HIS 60 30.393 -8.069 -7.402 739 QB HIS 60 QB HIS 60 26.345 -5.409 -6.909 740 H HIS 61 H HIS 61 26.131 -6.253 -2.640 741 HA HIS 61 HA HIS 61 28.388 -4.444 -2.105 742 1HB HIS 61 2HB HIS 61 26.215 -5.413 -0.223 743 2HB HIS 61 1HB HIS 61 27.666 -4.579 0.311 744 HD1 HIS 61 1HD HIS 61 24.237 -3.858 -0.317 745 HD2 HIS 61 2HD HIS 61 27.829 -1.947 -1.204 746 HE1 HIS 61 1HE HIS 61 23.666 -1.478 -0.719 747 QB HIS 61 QB HIS 61 26.941 -4.996 0.044 748 H HIS 62 H HIS 62 29.739 -5.296 -0.236 749 HA HIS 62 HA HIS 62 31.336 -6.703 0.224 750 1HB HIS 62 2HB HIS 62 30.544 -8.918 1.372 751 2HB HIS 62 1HB HIS 62 30.187 -7.374 2.110 752 HD1 HIS 62 1HD HIS 62 27.759 -6.918 2.627 753 HD2 HIS 62 2HD HIS 62 28.256 -10.179 0.099 754 HE1 HIS 62 1HE HIS 62 25.485 -7.953 2.387 755 QB HIS 62 QB HIS 62 30.365 -8.146 1.741 756 H HIS 63 H HIS 63 32.304 -6.814 -1.613 757 HA HIS 63 HA HIS 63 32.591 -9.447 -2.715 758 1HB HIS 63 2HB HIS 63 32.314 -8.664 -5.054 759 2HB HIS 63 1HB HIS 63 30.810 -8.534 -4.158 760 HD1 HIS 63 1HD HIS 63 32.996 -6.590 -6.353 761 HD2 HIS 63 2HD HIS 63 30.292 -5.758 -3.300 762 HE1 HIS 63 1HE HIS 63 32.411 -4.166 -6.577 763 QB HIS 63 QB HIS 63 31.562 -8.599 -4.606 764 H HIS 64 H HIS 64 34.426 -9.182 -4.502 765 HA HIS 64 HA HIS 64 36.250 -7.040 -3.877 766 1HB HIS 64 2HB HIS 64 36.647 -8.799 -2.145 767 2HB HIS 64 1HB HIS 64 36.964 -9.955 -3.426 768 HD1 HIS 64 1HD HIS 64 39.418 -10.384 -3.439 769 HD2 HIS 64 2HD HIS 64 38.541 -6.396 -2.739 770 HE1 HIS 64 1HE HIS 64 41.630 -9.228 -3.138 771 QB HIS 64 QB HIS 64 36.806 -9.377 -2.785 No H/Q in entry = 771 Start of MODEL 9 1 H1 MET 1 3HT MET 1 12.226 -8.345 2.008 2 H2 MET 1 2HT MET 1 12.596 -7.250 3.194 3 H3 MET 1 1HT MET 1 11.722 -8.639 3.595 4 HA MET 1 HA MET 1 9.903 -7.849 2.218 5 1HB MET 1 2HB MET 1 10.873 -5.761 4.191 6 2HB MET 1 1HB MET 1 9.229 -5.872 3.586 7 1HG MET 1 2HG MET 1 10.663 -7.873 5.323 8 2HG MET 1 1HG MET 1 9.332 -6.818 5.792 9 1HE MET 1 3HE MET 1 9.375 -9.967 6.317 10 2HE MET 1 2HE MET 1 8.025 -8.930 6.784 11 3HE MET 1 1HE MET 1 7.725 -10.403 5.867 12 QB MET 1 QB MET 1 10.051 -5.817 3.888 13 QG MET 1 QG MET 1 9.997 -7.346 5.557 14 ME MET 1 QE MET 1 8.375 -9.767 6.322 15 H ASN 2 H ASN 2 10.197 -7.419 0.151 16 HA ASN 2 HA ASN 2 11.832 -5.130 -0.686 17 1HB ASN 2 2HB ASN 2 10.550 -7.120 -2.528 18 2HB ASN 2 1HB ASN 2 12.045 -6.210 -2.737 19 1HD2 ASN 2 1HD2 ASN 2 13.968 -6.988 -1.673 20 2HD2 ASN 2 2HD2 ASN 2 14.039 -8.614 -1.149 21 QB ASN 2 QB ASN 2 11.297 -6.665 -2.633 22 QD ASN 2 QD2 ASN 2 14.003 -7.801 -1.411 23 H VAL 3 H VAL 3 10.903 -3.849 -2.512 24 HA VAL 3 HA VAL 3 8.327 -2.966 -1.761 25 HB VAL 3 HB VAL 3 8.421 -1.382 -3.661 26 1HG1 VAL 3 3HG1 VAL 3 10.904 -1.535 -1.972 27 2HG1 VAL 3 2HG1 VAL 3 10.398 -0.110 -2.882 28 3HG1 VAL 3 1HG1 VAL 3 9.394 -0.729 -1.567 29 1HG2 VAL 3 1HG2 VAL 3 9.628 -2.780 -5.281 30 2HG2 VAL 3 3HG2 VAL 3 10.426 -1.225 -5.056 31 3HG2 VAL 3 2HG2 VAL 3 11.085 -2.668 -4.287 32 MG1 VAL 3 QG1 VAL 3 10.232 -0.792 -2.140 33 MG2 VAL 3 QG2 VAL 3 10.380 -2.224 -4.875 34 QG VAL 3 QQG VAL 3 10.306 -1.508 -3.508 35 H THR 4 H THR 4 9.376 -5.238 -4.113 36 HA THR 4 HA THR 4 7.000 -5.258 -5.627 37 HB THR 4 HB THR 4 9.010 -6.296 -6.532 38 HG1 THR 4 1HG THR 4 7.814 -7.549 -7.599 39 1HG2 THR 4 3HG2 THR 4 8.706 -8.308 -4.316 40 2HG2 THR 4 2HG2 THR 4 9.812 -8.485 -5.681 41 3HG2 THR 4 1HG2 THR 4 10.027 -7.162 -4.527 42 MG THR 4 QG2 THR 4 9.515 -7.985 -4.841 43 H LYS 5 H LYS 5 7.884 -6.828 -2.623 44 HA LYS 5 HA LYS 5 5.590 -8.518 -2.404 45 1HB LYS 5 2HB LYS 5 7.528 -7.425 -0.367 46 2HB LYS 5 1HB LYS 5 6.185 -8.458 0.077 47 1HG LYS 5 2HG LYS 5 7.118 -10.277 -1.223 48 2HG LYS 5 1HG LYS 5 8.418 -9.227 -1.798 49 1HD LYS 5 2HD LYS 5 9.351 -9.045 0.381 50 2HD LYS 5 1HD LYS 5 7.924 -9.764 1.122 51 1HE LYS 5 2HE LYS 5 9.861 -11.292 1.037 52 2HE LYS 5 1HE LYS 5 8.459 -11.913 0.178 53 1HZ LYS 5 2HZ LYS 5 10.766 -10.572 -1.170 54 2HZ LYS 5 1HZ LYS 5 10.594 -12.234 -0.961 55 3HZ LYS 5 3HZ LYS 5 9.468 -11.408 -1.877 56 QB LYS 5 QB LYS 5 6.856 -7.941 -0.145 57 QD LYS 5 QD LYS 5 8.638 -9.404 0.752 58 QG LYS 5 QG LYS 5 7.768 -9.752 -1.511 59 QE LYS 5 QE LYS 5 9.160 -11.603 0.607 60 QZ LYS 5 QZ LYS 5 10.276 -11.404 -1.336 61 H LEU 6 H LEU 6 6.426 -5.296 -1.409 62 HA LEU 6 HA LEU 6 4.165 -4.670 0.130 63 1HB LEU 6 2HB LEU 6 6.334 -3.409 0.066 64 2HB LEU 6 1HB LEU 6 5.901 -2.852 -1.532 65 HG LEU 6 HG LEU 6 4.097 -1.471 -0.625 66 1HD1 LEU 6 3HD1 LEU 6 4.903 -2.596 2.056 67 2HD1 LEU 6 2HD1 LEU 6 3.747 -1.295 1.786 68 3HD1 LEU 6 1HD1 LEU 6 3.389 -2.925 1.214 69 1HD2 LEU 6 2HD2 LEU 6 6.349 -0.546 -0.694 70 2HD2 LEU 6 1HD2 LEU 6 5.438 0.078 0.681 71 3HD2 LEU 6 3HD2 LEU 6 6.661 -1.167 0.927 72 MD1 LEU 6 QD1 LEU 6 4.013 -2.272 1.685 73 MD2 LEU 6 QD2 LEU 6 6.149 -0.545 0.304 74 QB LEU 6 QB LEU 6 6.118 -3.131 -0.733 75 QD LEU 6 QQD LEU 6 5.081 -1.408 0.995 76 H ASN 7 H ASN 7 4.914 -4.232 -3.295 77 HA ASN 7 HA ASN 7 2.543 -2.942 -4.036 78 1HB ASN 7 2HB ASN 7 4.565 -3.036 -5.475 79 2HB ASN 7 1HB ASN 7 4.253 -4.739 -5.769 80 1HD2 ASN 7 1HD2 ASN 7 1.801 -2.159 -5.645 81 2HD2 ASN 7 2HD2 ASN 7 1.357 -2.271 -7.298 82 QB ASN 7 QB ASN 7 4.409 -3.887 -5.622 83 QD ASN 7 QD2 ASN 7 1.579 -2.215 -6.471 84 H ASP 8 H ASP 8 3.408 -6.366 -3.988 85 HA ASP 8 HA ASP 8 1.055 -7.429 -5.087 86 1HB ASP 8 2HB ASP 8 2.973 -8.843 -4.842 87 2HB ASP 8 1HB ASP 8 3.016 -8.583 -3.107 88 QB ASP 8 QB ASP 8 2.994 -8.713 -3.975 89 H ARG 9 H ARG 9 1.825 -6.543 -1.787 90 HA ARG 9 HA ARG 9 -0.549 -7.485 -0.544 91 1HB ARG 9 2HB ARG 9 1.280 -5.206 0.209 92 2HB ARG 9 1HB ARG 9 -0.048 -5.749 1.215 93 1HG ARG 9 2HG ARG 9 1.025 -7.944 1.433 94 2HG ARG 9 1HG ARG 9 2.363 -7.377 0.429 95 1HD ARG 9 2HD ARG 9 2.890 -7.245 2.835 96 2HD ARG 9 1HD ARG 9 2.896 -5.657 2.061 97 HE ARG 9 HE ARG 9 0.372 -6.353 3.208 98 1HH1 ARG 9 1HH1 ARG 9 3.578 -4.995 4.029 99 2HH1 ARG 9 2HH1 ARG 9 3.006 -4.060 5.318 100 1HH2 ARG 9 1HH2 ARG 9 -0.400 -5.074 5.026 101 2HH2 ARG 9 2HH2 ARG 9 0.686 -4.121 5.919 102 QB ARG 9 QB ARG 9 0.616 -5.477 0.712 103 QG ARG 9 QG ARG 9 1.694 -7.660 0.931 104 QD ARG 9 QD ARG 9 2.893 -6.451 2.448 105 QH1 ARG 9 QH1 ARG 9 3.292 -4.527 4.674 106 QH2 ARG 9 QH2 ARG 9 0.143 -4.598 5.473 107 H ILE 10 H ILE 10 0.315 -4.443 -2.058 108 HA ILE 10 HA ILE 10 -1.989 -2.963 -1.538 109 HB ILE 10 HB ILE 10 -0.080 -2.895 -3.884 110 1HG1 ILE 10 2HG1 ILE 10 -0.294 -1.154 -1.430 111 2HG1 ILE 10 1HG1 ILE 10 0.910 -2.407 -1.703 112 1HG2 ILE 10 3HG2 ILE 10 -2.193 -1.902 -4.566 113 2HG2 ILE 10 2HG2 ILE 10 -2.160 -0.842 -3.158 114 3HG2 ILE 10 1HG2 ILE 10 -0.936 -0.669 -4.416 115 1HD1 ILE 10 1HD1 ILE 10 1.759 -1.140 -3.612 116 2HD1 ILE 10 3HD1 ILE 10 0.568 0.117 -3.294 117 3HD1 ILE 10 2HD1 ILE 10 1.835 -0.216 -2.114 118 MG ILE 10 QG2 ILE 10 -1.763 -1.138 -4.046 119 MD ILE 10 QD1 ILE 10 1.388 -0.413 -3.007 120 QG ILE 10 QG1 ILE 10 0.308 -1.780 -1.567 121 H GLU 11 H GLU 11 -1.188 -5.163 -4.175 122 HA GLU 11 HA GLU 11 -3.499 -4.767 -5.682 123 1HB GLU 11 2HB GLU 11 -1.773 -7.238 -5.522 124 2HB GLU 11 1HB GLU 11 -2.952 -6.902 -6.784 125 1HG GLU 11 2HG GLU 11 -1.676 -4.841 -7.343 126 2HG GLU 11 1HG GLU 11 -0.449 -5.350 -6.189 127 QB GLU 11 QB GLU 11 -2.363 -7.070 -6.153 128 QG GLU 11 QG GLU 11 -1.062 -5.096 -6.766 129 H ALA 12 H ALA 12 -2.879 -6.925 -3.005 130 HA ALA 12 HA ALA 12 -5.359 -8.310 -3.228 131 1HB ALA 12 3HB ALA 12 -3.426 -9.303 -2.101 132 2HB ALA 12 1HB ALA 12 -4.818 -9.215 -1.021 133 3HB ALA 12 2HB ALA 12 -3.501 -8.049 -0.865 134 MB ALA 12 QB ALA 12 -3.915 -8.856 -1.329 135 H LYS 13 H LYS 13 -4.242 -5.472 -1.495 136 HA LYS 13 HA LYS 13 -6.575 -5.201 0.133 137 1HB LYS 13 2HB LYS 13 -4.250 -3.427 -0.477 138 2HB LYS 13 1HB LYS 13 -5.637 -2.811 0.406 139 1HG LYS 13 2HG LYS 13 -5.261 -4.329 2.196 140 2HG LYS 13 1HG LYS 13 -4.037 -5.208 1.267 141 1HD LYS 13 2HD LYS 13 -2.546 -3.361 1.326 142 2HD LYS 13 1HD LYS 13 -3.794 -2.290 1.946 143 1HE LYS 13 2HE LYS 13 -2.820 -4.686 3.475 144 2HE LYS 13 1HE LYS 13 -2.034 -3.117 3.600 145 1HZ LYS 13 2HZ LYS 13 -4.180 -2.191 4.302 146 2HZ LYS 13 1HZ LYS 13 -4.874 -3.722 4.276 147 3HZ LYS 13 3HZ LYS 13 -3.636 -3.368 5.369 148 QB LYS 13 QB LYS 13 -4.943 -3.119 -0.036 149 QD LYS 13 QD LYS 13 -3.170 -2.826 1.636 150 QG LYS 13 QG LYS 13 -4.649 -4.769 1.731 151 QE LYS 13 QE LYS 13 -2.427 -3.901 3.538 152 QZ LYS 13 QZ LYS 13 -4.230 -3.094 4.649 153 H LYS 14 H LYS 14 -5.608 -3.933 -2.975 154 HA LYS 14 HA LYS 14 -7.750 -2.070 -3.052 155 1HB LYS 14 2HB LYS 14 -7.141 -1.655 -5.378 156 2HB LYS 14 1HB LYS 14 -5.726 -1.651 -4.343 157 1HG LYS 14 2HG LYS 14 -5.430 -4.088 -5.092 158 2HG LYS 14 1HG LYS 14 -6.572 -3.685 -6.371 159 1HD LYS 14 2HD LYS 14 -3.955 -2.291 -5.815 160 2HD LYS 14 1HD LYS 14 -4.259 -3.417 -7.129 161 1HE LYS 14 2HE LYS 14 -5.652 -0.761 -6.758 162 2HE LYS 14 1HE LYS 14 -4.318 -1.063 -7.862 163 1HZ LYS 14 3HZ LYS 14 -5.700 -2.644 -9.046 164 2HZ LYS 14 2HZ LYS 14 -6.999 -2.347 -8.012 165 3HZ LYS 14 1HZ LYS 14 -6.409 -1.125 -8.996 166 QB LYS 14 QB LYS 14 -6.434 -1.653 -4.861 167 QD LYS 14 QD LYS 14 -4.107 -2.854 -6.472 168 QG LYS 14 QG LYS 14 -6.001 -3.887 -5.731 169 QE LYS 14 QE LYS 14 -4.985 -0.912 -7.310 170 QZ LYS 14 QZ LYS 14 -6.369 -2.039 -8.685 171 H LYS 15 H LYS 15 -7.444 -5.404 -3.991 172 HA LYS 15 HA LYS 15 -9.836 -5.515 -5.502 173 1HB LYS 15 2HB LYS 15 -8.279 -7.624 -4.053 174 2HB LYS 15 1HB LYS 15 -9.717 -7.978 -5.002 175 1HG LYS 15 2HG LYS 15 -8.686 -7.021 -6.953 176 2HG LYS 15 1HG LYS 15 -7.241 -6.646 -6.011 177 1HD LYS 15 2HD LYS 15 -6.869 -8.968 -5.583 178 2HD LYS 15 1HD LYS 15 -8.377 -9.387 -6.406 179 1HE LYS 15 2HE LYS 15 -7.556 -8.409 -8.412 180 2HE LYS 15 1HE LYS 15 -6.041 -7.990 -7.623 181 1HZ LYS 15 1HZ LYS 15 -7.050 -10.777 -7.989 182 2HZ LYS 15 3HZ LYS 15 -5.762 -10.101 -8.852 183 3HZ LYS 15 2HZ LYS 15 -5.639 -10.345 -7.198 184 QB LYS 15 QB LYS 15 -8.998 -7.801 -4.528 185 QD LYS 15 QD LYS 15 -7.623 -9.178 -5.994 186 QG LYS 15 QG LYS 15 -7.963 -6.834 -6.482 187 QE LYS 15 QE LYS 15 -6.799 -8.199 -8.017 188 QZ LYS 15 QZ LYS 15 -6.150 -10.408 -8.013 189 H GLU 16 H GLU 16 -9.006 -5.662 -2.198 190 HA GLU 16 HA GLU 16 -11.317 -6.826 -1.008 191 1HB GLU 16 2HB GLU 16 -8.966 -6.491 -0.013 192 2HB GLU 16 1HB GLU 16 -9.409 -4.810 0.183 193 1HG GLU 16 2HG GLU 16 -9.686 -5.898 2.259 194 2HG GLU 16 1HG GLU 16 -11.295 -5.552 1.623 195 QB GLU 16 QB GLU 16 -9.188 -5.651 0.085 196 QG GLU 16 QG GLU 16 -10.491 -5.725 1.941 197 H LEU 17 H LEU 17 -10.062 -3.635 -1.598 198 HA LEU 17 HA LEU 17 -12.057 -2.007 -0.658 199 1HB LEU 17 2HB LEU 17 -9.983 -1.840 -2.693 200 2HB LEU 17 1HB LEU 17 -11.185 -0.593 -2.759 201 HG LEU 17 HG LEU 17 -9.380 -1.286 -0.416 202 1HD1 LEU 17 2HD1 LEU 17 -8.248 -0.162 -2.275 203 2HD1 LEU 17 1HD1 LEU 17 -9.420 1.156 -2.173 204 3HD1 LEU 17 3HD1 LEU 17 -8.334 0.829 -0.818 205 1HD2 LEU 17 1HD2 LEU 17 -11.489 0.848 -0.682 206 2HD2 LEU 17 3HD2 LEU 17 -11.482 -0.491 0.468 207 3HD2 LEU 17 2HD2 LEU 17 -10.283 0.797 0.593 208 MD1 LEU 17 QD1 LEU 17 -8.667 0.608 -1.755 209 MD2 LEU 17 QD2 LEU 17 -11.085 0.385 0.126 210 QB LEU 17 QB LEU 17 -10.584 -1.217 -2.726 211 QD LEU 17 QQD LEU 17 -9.876 0.496 -0.814 212 H ILE 18 H ILE 18 -11.755 -3.460 -3.831 213 HA ILE 18 HA ILE 18 -13.927 -2.293 -5.133 214 HB ILE 18 HB ILE 18 -13.115 -5.200 -5.377 215 1HG1 ILE 18 2HG1 ILE 18 -11.183 -3.685 -5.505 216 2HG1 ILE 18 1HG1 ILE 18 -11.460 -4.511 -7.051 217 1HG2 ILE 18 1HG2 ILE 18 -15.185 -4.674 -6.547 218 2HG2 ILE 18 3HG2 ILE 18 -14.394 -3.336 -7.382 219 3HG2 ILE 18 2HG2 ILE 18 -13.894 -4.995 -7.704 220 1HD1 ILE 18 1HD1 ILE 18 -12.481 -2.404 -7.847 221 2HD1 ILE 18 3HD1 ILE 18 -12.082 -1.682 -6.273 222 3HD1 ILE 18 2HD1 ILE 18 -10.789 -2.267 -7.320 223 MG ILE 18 QG2 ILE 18 -14.491 -4.335 -7.211 224 MD ILE 18 QD1 ILE 18 -11.784 -2.118 -7.146 225 QG ILE 18 QG1 ILE 18 -11.321 -4.098 -6.278 226 H TYR 19 H TYR 19 -13.777 -5.234 -3.223 227 HA TYR 19 HA TYR 19 -16.489 -5.929 -3.309 228 1HB TYR 19 2HB TYR 19 -14.773 -7.515 -2.671 229 2HB TYR 19 1HB TYR 19 -14.340 -6.569 -1.259 230 HD1 TYR 19 1HD TYR 19 -16.939 -8.694 -2.795 231 HD2 TYR 19 2HD TYR 19 -15.616 -6.837 0.792 232 HE1 TYR 19 1HE TYR 19 -18.573 -10.007 -1.525 233 HE2 TYR 19 2HE TYR 19 -17.251 -8.149 2.076 234 HH TYR 19 HH TYR 19 -18.930 -10.793 0.698 235 QB TYR 19 QB TYR 19 -14.557 -7.042 -1.965 236 QD TYR 19 QD TYR 19 -16.277 -7.765 -1.002 237 QE TYR 19 QE TYR 19 -17.912 -9.078 0.276 238 QR TYR 19 QR TYR 19 -17.095 -8.422 -0.363 239 H LEU 20 H LEU 20 -14.632 -4.095 -0.938 240 HA LEU 20 HA LEU 20 -16.704 -3.661 0.899 241 1HB LEU 20 2HB LEU 20 -14.271 -1.959 0.386 242 2HB LEU 20 1HB LEU 20 -15.288 -1.873 1.807 243 HG LEU 20 HG LEU 20 -13.568 -4.226 1.006 244 1HD1 LEU 20 1HD1 LEU 20 -12.265 -2.349 1.770 245 2HD1 LEU 20 3HD1 LEU 20 -13.262 -2.246 3.222 246 3HD1 LEU 20 2HD1 LEU 20 -12.253 -3.665 2.948 247 1HD2 LEU 20 3HD2 LEU 20 -15.266 -3.799 3.457 248 2HD2 LEU 20 2HD2 LEU 20 -15.568 -4.967 2.164 249 3HD2 LEU 20 1HD2 LEU 20 -14.148 -5.138 3.194 250 MD1 LEU 20 QD1 LEU 20 -12.593 -2.753 2.647 251 MD2 LEU 20 QD2 LEU 20 -14.994 -4.635 2.938 252 QB LEU 20 QB LEU 20 -14.780 -1.916 1.096 253 QD LEU 20 QQD LEU 20 -13.794 -3.694 2.793 254 H VAL 21 H VAL 21 -15.536 -1.616 -1.753 255 HA VAL 21 HA VAL 21 -17.233 0.562 -1.352 256 HB VAL 21 HB VAL 21 -16.038 -0.464 -3.955 257 1HG1 VAL 21 3HG1 VAL 21 -17.303 2.215 -3.385 258 2HG1 VAL 21 2HG1 VAL 21 -16.449 1.783 -4.867 259 3HG1 VAL 21 1HG1 VAL 21 -17.960 0.970 -4.446 260 1HG2 VAL 21 2HG2 VAL 21 -15.174 1.736 -2.083 261 2HG2 VAL 21 1HG2 VAL 21 -14.373 0.181 -2.323 262 3HG2 VAL 21 3HG2 VAL 21 -14.419 1.362 -3.631 263 MG1 VAL 21 QG1 VAL 21 -17.237 1.656 -4.232 264 MG2 VAL 21 QG2 VAL 21 -14.655 1.093 -2.679 265 QG VAL 21 QQG VAL 21 -15.946 1.374 -3.456 266 H GLU 22 H GLU 22 -17.782 -2.381 -3.233 267 HA GLU 22 HA GLU 22 -20.291 -1.640 -4.332 268 1HB GLU 22 2HB GLU 22 -19.358 -4.399 -3.583 269 2HB GLU 22 1HB GLU 22 -20.674 -4.008 -4.665 270 1HG GLU 22 2HG GLU 22 -19.124 -3.120 -6.276 271 2HG GLU 22 1HG GLU 22 -17.780 -3.371 -5.155 272 QB GLU 22 QB GLU 22 -20.016 -4.203 -4.124 273 QG GLU 22 QG GLU 22 -18.452 -3.246 -5.715 274 H LYS 23 H LYS 23 -19.399 -3.441 -1.441 275 HA LYS 23 HA LYS 23 -22.141 -4.056 -0.859 276 1HB LYS 23 2HB LYS 23 -19.686 -4.659 0.780 277 2HB LYS 23 1HB LYS 23 -21.285 -5.346 1.016 278 1HG LYS 23 2HG LYS 23 -19.585 -5.726 -1.451 279 2HG LYS 23 1HG LYS 23 -19.741 -6.890 -0.137 280 1HD LYS 23 2HD LYS 23 -22.103 -7.166 -0.631 281 2HD LYS 23 1HD LYS 23 -22.024 -5.899 -1.853 282 1HE LYS 23 2HE LYS 23 -20.430 -8.459 -1.971 283 2HE LYS 23 1HE LYS 23 -21.989 -8.236 -2.762 284 1HZ LYS 23 3HZ LYS 23 -19.514 -6.638 -3.384 285 2HZ LYS 23 2HZ LYS 23 -20.162 -7.868 -4.300 286 3HZ LYS 23 1HZ LYS 23 -21.041 -6.472 -4.085 287 QB LYS 23 QB LYS 23 -20.485 -5.002 0.898 288 QD LYS 23 QD LYS 23 -22.064 -6.533 -1.242 289 QG LYS 23 QG LYS 23 -19.663 -6.308 -0.794 290 QE LYS 23 QE LYS 23 -21.209 -8.347 -2.367 291 QZ LYS 23 QZ LYS 23 -20.239 -6.992 -3.923 292 H TYR 24 H TYR 24 -19.718 -1.900 0.586 293 HA TYR 24 HA TYR 24 -21.733 -1.136 2.566 294 1HB TYR 24 2HB TYR 24 -18.781 -0.474 2.496 295 2HB TYR 24 1HB TYR 24 -19.896 -0.045 3.788 296 HD1 TYR 24 1HD TYR 24 -17.702 -2.542 2.505 297 HD2 TYR 24 2HD TYR 24 -21.062 -1.956 5.030 298 HE1 TYR 24 1HE TYR 24 -17.290 -4.725 3.543 299 HE2 TYR 24 2HE TYR 24 -20.654 -4.142 6.089 300 HH TYR 24 HH TYR 24 -17.783 -5.864 5.679 301 QB TYR 24 QB TYR 24 -19.338 -0.260 3.142 302 QD TYR 24 QD TYR 24 -19.382 -2.249 3.767 303 QE TYR 24 QE TYR 24 -18.972 -4.434 4.816 304 QR TYR 24 QR TYR 24 -19.177 -3.341 4.292 305 H GLY 25 H GLY 25 -20.007 0.118 -0.175 306 1HA GLY 25 1HA GLY 25 -21.484 2.626 0.216 307 2HA GLY 25 2HA GLY 25 -21.258 1.871 -1.351 308 QA GLY 25 QA GLY 25 -21.371 2.249 -0.568 309 H PHE 26 H PHE 26 -20.161 3.570 -2.299 310 HA PHE 26 HA PHE 26 -17.380 3.833 -1.678 311 1HB PHE 26 2HB PHE 26 -17.258 5.376 -3.555 312 2HB PHE 26 1HB PHE 26 -18.268 4.017 -4.015 313 HD1 PHE 26 1HD PHE 26 -18.017 7.570 -3.717 314 HD2 PHE 26 2HD PHE 26 -20.804 4.362 -3.976 315 HE1 PHE 26 1HE PHE 26 -19.769 9.151 -4.402 316 HE2 PHE 26 2HE PHE 26 -22.556 5.937 -4.654 317 HZ PHE 26 HZ PHE 26 -22.042 8.336 -4.873 318 QB PHE 26 QB PHE 26 -17.763 4.697 -3.785 319 QD PHE 26 QD PHE 26 -19.411 5.966 -3.846 320 QE PHE 26 QE PHE 26 -21.163 7.544 -4.528 321 QR PHE 26 QR PHE 26 -20.638 7.071 -4.324 322 H THR 27 H THR 27 -20.171 5.339 -0.587 323 HA THR 27 HA THR 27 -18.939 7.799 0.274 324 HB THR 27 HB THR 27 -21.676 6.757 1.009 325 HG1 THR 27 1HG THR 27 -22.234 7.988 -1.025 326 1HG2 THR 27 1HG2 THR 27 -20.896 8.868 2.050 327 2HG2 THR 27 3HG2 THR 27 -20.609 9.540 0.446 328 3HG2 THR 27 2HG2 THR 27 -22.248 9.149 0.956 329 MG THR 27 QG2 THR 27 -21.251 9.186 1.151 330 H HIS 28 H HIS 28 -18.886 4.654 1.346 331 HA HIS 28 HA HIS 28 -19.375 5.152 4.135 332 1HB HIS 28 2HB HIS 28 -19.833 2.946 2.883 333 2HB HIS 28 1HB HIS 28 -18.095 2.693 2.925 334 HD1 HIS 28 1HD HIS 28 -21.157 2.549 5.053 335 HD2 HIS 28 2HD HIS 28 -17.048 2.112 5.470 336 HE1 HIS 28 1HE HIS 28 -20.799 1.470 7.286 337 QB HIS 28 QB HIS 28 -18.964 2.820 2.904 338 H HIS 29 H HIS 29 -17.970 6.213 5.260 339 HA HIS 29 HA HIS 29 -15.472 6.939 4.274 340 1HB HIS 29 2HB HIS 29 -16.695 7.373 6.973 341 2HB HIS 29 1HB HIS 29 -15.093 7.982 6.556 342 HD1 HIS 29 1HD HIS 29 -18.651 8.908 6.348 343 HD2 HIS 29 2HD HIS 29 -15.165 9.756 4.234 344 HE1 HIS 29 1HE HIS 29 -19.124 10.970 5.023 345 QB HIS 29 QB HIS 29 -15.894 7.677 6.764 346 H LYS 30 H LYS 30 -16.199 4.332 6.482 347 HA LYS 30 HA LYS 30 -13.499 3.931 7.234 348 1HB LYS 30 2HB LYS 30 -15.725 1.893 7.047 349 2HB LYS 30 1HB LYS 30 -14.141 1.563 7.729 350 1HG LYS 30 2HG LYS 30 -16.091 3.605 8.757 351 2HG LYS 30 1HG LYS 30 -15.816 2.007 9.458 352 1HD LYS 30 2HD LYS 30 -13.440 2.674 9.830 353 2HD LYS 30 1HD LYS 30 -13.852 4.291 9.258 354 1HE LYS 30 2HE LYS 30 -15.089 2.907 11.641 355 2HE LYS 30 1HE LYS 30 -13.841 4.147 11.700 356 1HZ LYS 30 1HZ LYS 30 -15.425 5.711 10.697 357 2HZ LYS 30 3HZ LYS 30 -16.620 4.515 10.695 358 3HZ LYS 30 2HZ LYS 30 -15.983 5.079 12.141 359 QB LYS 30 QB LYS 30 -14.933 1.728 7.388 360 QD LYS 30 QD LYS 30 -13.646 3.483 9.544 361 QG LYS 30 QG LYS 30 -15.953 2.806 9.107 362 QE LYS 30 QE LYS 30 -14.465 3.527 11.671 363 QZ LYS 30 QZ LYS 30 -16.010 5.102 11.177 364 H VAL 31 H VAL 31 -15.305 2.946 4.423 365 HA VAL 31 HA VAL 31 -13.291 1.244 3.364 366 HB VAL 31 HB VAL 31 -15.520 2.715 1.905 367 1HG1 VAL 31 2HG1 VAL 31 -13.871 0.347 1.035 368 2HG1 VAL 31 1HG1 VAL 31 -15.243 1.019 0.154 369 3HG1 VAL 31 3HG1 VAL 31 -13.776 1.977 0.372 370 1HG2 VAL 31 2HG2 VAL 31 -15.433 -0.080 3.032 371 2HG2 VAL 31 1HG2 VAL 31 -16.417 1.254 3.621 372 3HG2 VAL 31 3HG2 VAL 31 -16.732 0.566 2.026 373 MG1 VAL 31 QG1 VAL 31 -14.297 1.114 0.520 374 MG2 VAL 31 QG2 VAL 31 -16.194 0.580 2.893 375 QG VAL 31 QQG VAL 31 -15.245 0.847 1.707 376 H ILE 32 H ILE 32 -14.117 4.625 3.058 377 HA ILE 32 HA ILE 32 -12.161 5.340 1.159 378 HB ILE 32 HB ILE 32 -13.422 7.071 3.321 379 1HG1 ILE 32 2HG1 ILE 32 -14.175 6.664 0.416 380 2HG1 ILE 32 1HG1 ILE 32 -15.051 6.025 1.800 381 1HG2 ILE 32 2HG2 ILE 32 -11.374 8.098 2.442 382 2HG2 ILE 32 1HG2 ILE 32 -11.967 7.899 0.794 383 3HG2 ILE 32 3HG2 ILE 32 -12.799 8.988 1.906 384 1HD1 ILE 32 3HD1 ILE 32 -15.568 8.314 2.504 385 2HD1 ILE 32 2HD1 ILE 32 -14.696 8.930 1.101 386 3HD1 ILE 32 1HD1 ILE 32 -16.156 7.968 0.878 387 MG ILE 32 QG2 ILE 32 -12.046 8.328 1.714 388 MD ILE 32 QD1 ILE 32 -15.473 8.404 1.495 389 QG ILE 32 QG1 ILE 32 -14.613 6.345 1.108 390 H SER 33 H SER 33 -12.071 5.135 4.680 391 HA SER 33 HA SER 33 -9.500 6.137 5.076 392 1HB SER 33 2HB SER 33 -11.121 5.675 6.923 393 2HB SER 33 1HB SER 33 -10.889 3.948 6.665 394 HG SER 33 HG SER 33 -8.886 5.816 7.386 395 QB SER 33 QB SER 33 -11.005 4.811 6.794 396 H PHE 34 H PHE 34 -10.611 2.839 4.285 397 HA PHE 34 HA PHE 34 -8.023 1.666 4.333 398 1HB PHE 34 2HB PHE 34 -10.376 0.755 2.670 399 2HB PHE 34 1HB PHE 34 -8.977 -0.210 3.111 400 HD1 PHE 34 1HD PHE 34 -8.822 0.475 6.035 401 HD2 PHE 34 2HD PHE 34 -12.088 -0.423 3.492 402 HE1 PHE 34 1HE PHE 34 -10.090 -0.366 7.975 403 HE2 PHE 34 2HE PHE 34 -13.377 -1.264 5.402 404 HZ PHE 34 HZ PHE 34 -12.372 -1.232 7.668 405 QB PHE 34 QB PHE 34 -9.677 0.272 2.891 406 QD PHE 34 QD PHE 34 -10.455 0.026 4.764 407 QE PHE 34 QE PHE 34 -11.734 -0.815 6.689 408 QR PHE 34 QR PHE 34 -11.350 -0.562 6.114 409 H SER 35 H SER 35 -9.887 3.301 1.884 410 HA SER 35 HA SER 35 -8.225 2.733 -0.310 411 1HB SER 35 2HB SER 35 -10.564 3.664 -0.464 412 2HB SER 35 1HB SER 35 -9.942 5.207 0.110 413 HG SER 35 HG SER 35 -10.156 4.583 -2.312 414 QB SER 35 QB SER 35 -10.253 4.435 -0.177 415 H GLN 36 H GLN 36 -8.140 5.287 2.096 416 HA GLN 36 HA GLN 36 -5.912 6.682 1.005 417 1HB GLN 36 2HB GLN 36 -7.028 6.594 3.807 418 2HB GLN 36 1HB GLN 36 -5.795 7.723 3.265 419 1HG GLN 36 2HG GLN 36 -7.310 8.752 1.740 420 2HG GLN 36 1HG GLN 36 -8.532 7.517 2.042 421 1HE2 GLN 36 1HE2 GLN 36 -9.697 7.587 3.882 422 2HE2 GLN 36 2HE2 GLN 36 -9.739 8.949 4.945 423 QB GLN 36 QB GLN 36 -6.412 7.158 3.536 424 QG GLN 36 QG GLN 36 -7.921 8.134 1.891 425 QE GLN 36 QE2 GLN 36 -9.718 8.268 4.414 426 H GLU 37 H GLU 37 -6.315 4.069 3.237 427 HA GLU 37 HA GLU 37 -3.684 3.801 4.254 428 1HB GLU 37 2HB GLU 37 -5.922 2.776 5.055 429 2HB GLU 37 1HB GLU 37 -5.730 1.616 3.771 430 1HG GLU 37 2HG GLU 37 -3.729 1.937 5.987 431 2HG GLU 37 1HG GLU 37 -5.133 0.886 6.114 432 QB GLU 37 QB GLU 37 -5.826 2.196 4.413 433 QG GLU 37 QG GLU 37 -4.431 1.412 6.051 434 H LEU 38 H LEU 38 -5.393 2.427 1.541 435 HA LEU 38 HA LEU 38 -3.353 0.849 0.405 436 1HB LEU 38 2HB LEU 38 -5.853 0.732 0.006 437 2HB LEU 38 1HB LEU 38 -5.717 2.188 -0.935 438 HG LEU 38 HG LEU 38 -5.977 0.092 -2.256 439 1HD1 LEU 38 2HD1 LEU 38 -3.413 1.572 -2.793 440 2HD1 LEU 38 1HD1 LEU 38 -4.274 0.543 -3.934 441 3HD1 LEU 38 3HD1 LEU 38 -5.025 2.027 -3.349 442 1HD2 LEU 38 3HD2 LEU 38 -4.680 -1.339 -0.806 443 2HD2 LEU 38 2HD2 LEU 38 -4.113 -1.429 -2.474 444 3HD2 LEU 38 1HD2 LEU 38 -3.205 -0.504 -1.274 445 MD1 LEU 38 QD1 LEU 38 -4.237 1.381 -3.359 446 MD2 LEU 38 QD2 LEU 38 -3.999 -1.091 -1.518 447 QB LEU 38 QB LEU 38 -5.785 1.460 -0.464 448 QD LEU 38 QQD LEU 38 -4.118 0.145 -2.438 449 H ASP 39 H ASP 39 -4.537 4.100 -0.250 450 HA ASP 39 HA ASP 39 -2.893 4.857 -2.362 451 1HB ASP 39 2HB ASP 39 -4.813 6.180 -1.727 452 2HB ASP 39 1HB ASP 39 -4.102 6.520 -0.156 453 QB ASP 39 QB ASP 39 -4.458 6.350 -0.941 454 H ARG 40 H ARG 40 -2.339 5.113 1.108 455 HA ARG 40 HA ARG 40 0.103 6.491 0.856 456 1HB ARG 40 2HB ARG 40 -1.320 6.372 2.947 457 2HB ARG 40 1HB ARG 40 -0.698 4.745 3.187 458 1HG ARG 40 2HG ARG 40 0.519 6.351 4.559 459 2HG ARG 40 1HG ARG 40 1.583 5.639 3.344 460 1HD ARG 40 2HD ARG 40 1.335 7.606 1.933 461 2HD ARG 40 1HD ARG 40 0.195 8.304 3.088 462 HE ARG 40 HE ARG 40 2.566 7.800 4.426 463 1HH1 ARG 40 1HH1 ARG 40 1.424 9.873 1.800 464 2HH1 ARG 40 2HH1 ARG 40 2.550 11.114 2.074 465 1HH2 ARG 40 1HH2 ARG 40 4.097 9.470 4.828 466 2HH2 ARG 40 2HH2 ARG 40 4.129 10.885 3.860 467 QB ARG 40 QB ARG 40 -1.009 5.559 3.067 468 QG ARG 40 QG ARG 40 1.051 5.995 3.952 469 QD ARG 40 QD ARG 40 0.765 7.955 2.510 470 QH1 ARG 40 QH1 ARG 40 1.987 10.494 1.937 471 QH2 ARG 40 QH2 ARG 40 4.113 10.178 4.344 472 H LEU 41 H LEU 41 -0.700 3.061 1.015 473 HA LEU 41 HA LEU 41 1.955 2.092 1.161 474 1HB LEU 41 2HB LEU 41 -0.511 0.837 -0.040 475 2HB LEU 41 1HB LEU 41 1.005 -0.001 0.189 476 HG LEU 41 HG LEU 41 -0.703 1.119 2.404 477 1HD1 LEU 41 3HD1 LEU 41 -1.758 -0.748 1.251 478 2HD1 LEU 41 2HD1 LEU 41 -0.289 -1.705 1.450 479 3HD1 LEU 41 1HD1 LEU 41 -1.219 -1.212 2.864 480 1HD2 LEU 41 3HD2 LEU 41 1.754 -0.633 2.456 481 2HD2 LEU 41 2HD2 LEU 41 1.660 1.047 2.992 482 3HD2 LEU 41 1HD2 LEU 41 0.768 -0.204 3.855 483 MD1 LEU 41 QD1 LEU 41 -1.089 -1.221 1.855 484 MD2 LEU 41 QD2 LEU 41 1.394 0.070 3.101 485 QB LEU 41 QB LEU 41 0.247 0.418 0.074 486 QD LEU 41 QQD LEU 41 0.153 -0.576 2.478 487 H LEU 42 H LEU 42 -0.173 2.853 -1.512 488 HA LEU 42 HA LEU 42 1.533 2.112 -3.618 489 1HB LEU 42 2HB LEU 42 -0.817 2.607 -3.990 490 2HB LEU 42 1HB LEU 42 -0.578 4.265 -3.484 491 HG LEU 42 HG LEU 42 0.882 4.625 -5.451 492 1HD1 LEU 42 1HD1 LEU 42 1.625 2.361 -5.820 493 2HD1 LEU 42 3HD1 LEU 42 -0.012 1.872 -6.271 494 3HD1 LEU 42 2HD1 LEU 42 0.880 3.033 -7.263 495 1HD2 LEU 42 1HD2 LEU 42 -1.910 3.652 -6.050 496 2HD2 LEU 42 3HD2 LEU 42 -1.439 5.271 -5.527 497 3HD2 LEU 42 2HD2 LEU 42 -0.923 4.673 -7.101 498 MD1 LEU 42 QD1 LEU 42 0.831 2.422 -6.451 499 MD2 LEU 42 QD2 LEU 42 -1.424 4.532 -6.226 500 QB LEU 42 QB LEU 42 -0.697 3.436 -3.737 501 QD LEU 42 QQD LEU 42 -0.297 3.477 -6.339 502 H ASN 43 H ASN 43 1.253 5.024 -1.721 503 HA ASN 43 HA ASN 43 2.976 6.609 -3.296 504 1HB ASN 43 2HB ASN 43 1.297 7.403 -1.481 505 2HB ASN 43 1HB ASN 43 2.572 7.013 -0.349 506 1HD2 ASN 43 1HD2 ASN 43 3.144 8.338 -3.567 507 2HD2 ASN 43 2HD2 ASN 43 3.767 9.840 -3.027 508 QB ASN 43 QB ASN 43 1.935 7.208 -0.915 509 QD ASN 43 QD2 ASN 43 3.456 9.089 -3.297 510 H LEU 44 H LEU 44 3.470 4.380 -0.656 511 HA LEU 44 HA LEU 44 6.114 4.913 0.037 512 1HB LEU 44 2HB LEU 44 4.600 2.330 -0.099 513 2HB LEU 44 1HB LEU 44 6.183 2.376 0.602 514 HG LEU 44 HG LEU 44 3.667 3.721 1.601 515 1HD1 LEU 44 1HD1 LEU 44 3.827 1.344 2.071 516 2HD1 LEU 44 3HD1 LEU 44 5.415 1.583 2.797 517 3HD1 LEU 44 2HD1 LEU 44 3.989 2.292 3.549 518 1HD2 LEU 44 1HD2 LEU 44 6.468 3.932 2.705 519 2HD2 LEU 44 3HD2 LEU 44 5.519 5.246 1.999 520 3HD2 LEU 44 2HD2 LEU 44 5.002 4.491 3.503 521 MD1 LEU 44 QD1 LEU 44 4.410 1.740 2.805 522 MD2 LEU 44 QD2 LEU 44 5.663 4.556 2.736 523 QB LEU 44 QB LEU 44 5.391 2.353 0.251 524 QD LEU 44 QQD LEU 44 5.037 3.148 2.770 525 H LEU 45 H LEU 45 4.852 2.839 -2.513 526 HA LEU 45 HA LEU 45 7.295 1.850 -3.502 527 1HB LEU 45 2HB LEU 45 4.779 2.460 -5.048 528 2HB LEU 45 1HB LEU 45 6.088 1.435 -5.590 529 HG LEU 45 HG LEU 45 4.242 0.859 -3.272 530 1HD1 LEU 45 3HD1 LEU 45 4.442 -0.309 -6.035 531 2HD1 LEU 45 2HD1 LEU 45 3.424 -0.925 -4.743 532 3HD1 LEU 45 1HD1 LEU 45 3.130 0.688 -5.410 533 1HD2 LEU 45 3HD2 LEU 45 6.422 -0.809 -4.523 534 2HD2 LEU 45 2HD2 LEU 45 6.477 -0.072 -2.920 535 3HD2 LEU 45 1HD2 LEU 45 5.305 -1.343 -3.269 536 MD1 LEU 45 QD1 LEU 45 3.665 -0.182 -5.396 537 MD2 LEU 45 QD2 LEU 45 6.068 -0.741 -3.571 538 QB LEU 45 QB LEU 45 5.434 1.947 -5.319 539 QD LEU 45 QQD LEU 45 4.867 -0.462 -4.483 540 H ILE 46 H ILE 46 5.338 4.578 -4.470 541 HA ILE 46 HA ILE 46 6.957 5.538 -6.541 542 HB ILE 46 HB ILE 46 5.048 7.098 -4.769 543 1HG1 ILE 46 2HG1 ILE 46 4.546 5.730 -7.421 544 2HG1 ILE 46 1HG1 ILE 46 4.035 5.101 -5.860 545 1HG2 ILE 46 3HG2 ILE 46 6.537 8.549 -6.066 546 2HG2 ILE 46 2HG2 ILE 46 6.084 7.696 -7.542 547 3HG2 ILE 46 1HG2 ILE 46 4.880 8.645 -6.670 548 1HD1 ILE 46 3HD1 ILE 46 3.119 7.664 -7.138 549 2HD1 ILE 46 2HD1 ILE 46 2.199 6.163 -7.043 550 3HD1 ILE 46 1HD1 ILE 46 2.588 7.055 -5.572 551 MG ILE 46 QG2 ILE 46 5.834 8.297 -6.759 552 MD ILE 46 QD1 ILE 46 2.635 6.960 -6.584 553 QG ILE 46 QG1 ILE 46 4.290 5.415 -6.641 554 H GLU 47 H GLU 47 6.776 6.437 -3.125 555 HA GLU 47 HA GLU 47 8.541 8.587 -3.056 556 1HB GLU 47 2HB GLU 47 6.914 7.332 -1.296 557 2HB GLU 47 1HB GLU 47 8.459 6.709 -0.753 558 1HG GLU 47 2HG GLU 47 7.698 9.613 -0.958 559 2HG GLU 47 1HG GLU 47 7.728 8.659 0.516 560 QB GLU 47 QB GLU 47 7.687 7.021 -1.025 561 QG GLU 47 QG GLU 47 7.713 9.136 -0.221 562 H LEU 48 H LEU 48 9.148 5.144 -2.324 563 HA LEU 48 HA LEU 48 11.911 5.536 -1.988 564 1HB LEU 48 2HB LEU 48 10.230 3.081 -2.206 565 2HB LEU 48 1HB LEU 48 11.962 2.933 -2.354 566 HG LEU 48 HG LEU 48 11.307 2.417 -0.101 567 1HD1 LEU 48 3HD1 LEU 48 13.435 3.531 -0.398 568 2HD1 LEU 48 2HD1 LEU 48 12.660 5.103 -0.171 569 3HD1 LEU 48 1HD1 LEU 48 12.703 3.949 1.150 570 1HD2 LEU 48 1HD2 LEU 48 10.093 5.181 0.029 571 2HD2 LEU 48 3HD2 LEU 48 9.203 3.659 0.032 572 3HD2 LEU 48 2HD2 LEU 48 10.255 4.068 1.387 573 MD1 LEU 48 QD1 LEU 48 12.933 4.194 0.194 574 MD2 LEU 48 QD2 LEU 48 9.850 4.303 0.483 575 QB LEU 48 QB LEU 48 11.096 3.007 -2.280 576 QD LEU 48 QQD LEU 48 11.391 4.248 0.338 577 H LYS 49 H LYS 49 10.050 4.604 -4.814 578 HA LYS 49 HA LYS 49 12.407 4.058 -6.311 579 1HB LYS 49 2HB LYS 49 9.571 4.483 -7.252 580 2HB LYS 49 1HB LYS 49 10.898 4.048 -8.324 581 1HG LYS 49 2HG LYS 49 11.278 2.007 -6.974 582 2HG LYS 49 1HG LYS 49 9.877 2.432 -5.998 583 1HD LYS 49 2HD LYS 49 8.436 2.249 -7.961 584 2HD LYS 49 1HD LYS 49 9.841 1.883 -8.968 585 1HE LYS 49 2HE LYS 49 10.280 -0.115 -7.582 586 2HE LYS 49 1HE LYS 49 8.834 0.241 -6.648 587 1HZ LYS 49 1HZ LYS 49 7.508 -0.092 -8.659 588 2HZ LYS 49 3HZ LYS 49 8.908 -0.438 -9.544 589 3HZ LYS 49 2HZ LYS 49 8.433 -1.437 -8.291 590 QB LYS 49 QB LYS 49 10.235 4.266 -7.788 591 QD LYS 49 QD LYS 49 9.139 2.066 -8.465 592 QG LYS 49 QG LYS 49 10.578 2.220 -6.486 593 QE LYS 49 QE LYS 49 9.557 0.063 -7.115 594 QZ LYS 49 QZ LYS 49 8.283 -0.656 -8.831 595 H THR 50 H THR 50 10.641 6.942 -5.683 596 HA THR 50 HA THR 50 11.849 8.532 -7.693 597 HB THR 50 HB THR 50 10.804 9.393 -4.959 598 HG1 THR 50 1HG THR 50 9.246 8.347 -6.348 599 1HG2 THR 50 3HG2 THR 50 11.274 10.993 -7.477 600 2HG2 THR 50 2HG2 THR 50 10.543 11.611 -5.994 601 3HG2 THR 50 1HG2 THR 50 12.229 11.088 -6.000 602 MG THR 50 QG2 THR 50 11.349 11.231 -6.490 603 H LYS 51 H LYS 51 12.719 7.680 -4.376 604 HA LYS 51 HA LYS 51 15.072 9.264 -4.289 605 1HB LYS 51 2HB LYS 51 13.962 7.073 -2.567 606 2HB LYS 51 1HB LYS 51 15.575 7.708 -2.301 607 1HG LYS 51 2HG LYS 51 14.675 9.904 -1.846 608 2HG LYS 51 1HG LYS 51 13.049 9.351 -2.255 609 1HD LYS 51 2HD LYS 51 12.944 7.927 -0.375 610 2HD LYS 51 1HD LYS 51 14.675 8.052 -0.085 611 1HE LYS 51 2HE LYS 51 13.264 9.338 1.515 612 2HE LYS 51 1HE LYS 51 14.458 10.309 0.678 613 1HZ LYS 51 1HZ LYS 51 11.571 10.148 -0.082 614 2HZ LYS 51 3HZ LYS 51 12.267 11.379 0.822 615 3HZ LYS 51 2HZ LYS 51 12.731 11.165 -0.756 616 QB LYS 51 QB LYS 51 14.769 7.391 -2.434 617 QD LYS 51 QD LYS 51 13.810 7.989 -0.230 618 QG LYS 51 QG LYS 51 13.862 9.627 -2.051 619 QE LYS 51 QE LYS 51 13.861 9.823 1.097 620 QZ LYS 51 QZ LYS 51 12.190 10.897 -0.006 621 H LYS 52 H LYS 52 14.536 5.760 -4.468 622 HA LYS 52 HA LYS 52 15.765 3.992 -4.838 623 1HB LYS 52 2HB LYS 52 16.999 3.766 -6.962 624 2HB LYS 52 1HB LYS 52 15.423 4.489 -7.164 625 1HG LYS 52 2HG LYS 52 16.451 6.685 -7.414 626 2HG LYS 52 1HG LYS 52 18.040 5.972 -7.156 627 1HD LYS 52 2HD LYS 52 16.270 4.934 -9.316 628 2HD LYS 52 1HD LYS 52 17.178 6.421 -9.589 629 1HE LYS 52 2HE LYS 52 18.398 4.533 -10.497 630 2HE LYS 52 1HE LYS 52 19.277 5.172 -9.118 631 1HZ LYS 52 3HZ LYS 52 17.572 2.730 -9.128 632 2HZ LYS 52 2HZ LYS 52 19.228 2.751 -9.202 633 3HZ LYS 52 1HZ LYS 52 18.466 3.265 -7.803 634 QB LYS 52 QB LYS 52 16.211 4.128 -7.063 635 QD LYS 52 QD LYS 52 16.724 5.677 -9.453 636 QG LYS 52 QG LYS 52 17.246 6.328 -7.285 637 QE LYS 52 QE LYS 52 18.837 4.853 -9.807 638 QZ LYS 52 QZ LYS 52 18.422 2.915 -8.711 639 H LYS 53 H LYS 53 17.738 6.663 -4.475 640 HA LYS 53 HA LYS 53 20.295 5.681 -4.185 641 1HB LYS 53 2HB LYS 53 20.668 7.693 -2.830 642 2HB LYS 53 1HB LYS 53 19.788 8.004 -4.323 643 1HG LYS 53 2HG LYS 53 17.677 8.062 -3.047 644 2HG LYS 53 1HG LYS 53 18.592 7.814 -1.561 645 1HD LYS 53 2HD LYS 53 19.809 9.894 -1.969 646 2HD LYS 53 1HD LYS 53 18.893 10.135 -3.460 647 1HE LYS 53 2HE LYS 53 16.815 10.132 -2.122 648 2HE LYS 53 1HE LYS 53 17.796 10.008 -0.666 649 1HZ LYS 53 1HZ LYS 53 18.825 12.127 -1.231 650 2HZ LYS 53 3HZ LYS 53 17.883 12.242 -2.622 651 3HZ LYS 53 2HZ LYS 53 17.165 12.306 -1.092 652 QB LYS 53 QB LYS 53 20.228 7.848 -3.576 653 QD LYS 53 QD LYS 53 19.351 10.014 -2.714 654 QG LYS 53 QG LYS 53 18.135 7.938 -2.304 655 QE LYS 53 QE LYS 53 17.305 10.070 -1.394 656 QZ LYS 53 QZ LYS 53 17.957 12.225 -1.649 657 H ARG 54 H ARG 54 17.678 4.998 -2.129 658 HA ARG 54 HA ARG 54 19.378 4.559 0.188 659 1HB ARG 54 2HB ARG 54 16.392 4.245 -0.143 660 2HB ARG 54 1HB ARG 54 17.251 3.914 1.353 661 1HG ARG 54 2HG ARG 54 17.100 6.574 -0.051 662 2HG ARG 54 1HG ARG 54 16.211 6.108 1.402 663 1HD ARG 54 2HD ARG 54 19.223 6.273 1.164 664 2HD ARG 54 1HD ARG 54 18.191 7.467 1.926 665 HE ARG 54 HE ARG 54 17.574 5.166 3.217 666 1HH1 ARG 54 1HH1 ARG 54 20.606 6.903 2.637 667 2HH1 ARG 54 2HH1 ARG 54 21.295 6.418 4.121 668 1HH2 ARG 54 1HH2 ARG 54 18.586 4.465 5.215 669 2HH2 ARG 54 2HH2 ARG 54 20.176 4.994 5.554 670 QB ARG 54 QB ARG 54 16.822 4.080 0.605 671 QG ARG 54 QG ARG 54 16.655 6.341 0.675 672 QD ARG 54 QD ARG 54 18.707 6.870 1.545 673 QH1 ARG 54 QH1 ARG 54 20.950 6.660 3.379 674 QH2 ARG 54 QH2 ARG 54 19.381 4.729 5.384 675 H TYR 55 H TYR 55 18.290 2.884 -2.511 676 HA TYR 55 HA TYR 55 18.079 0.904 -3.227 677 1HB TYR 55 2HB TYR 55 20.354 0.378 -1.341 678 2HB TYR 55 1HB TYR 55 19.829 -0.604 -2.728 679 HD1 TYR 55 1HD TYR 55 21.557 2.409 -1.721 680 HD2 TYR 55 2HD TYR 55 20.025 0.219 -4.995 681 HE1 TYR 55 1HE TYR 55 22.859 3.844 -3.272 682 HE2 TYR 55 2HE TYR 55 21.310 1.626 -6.565 683 HH TYR 55 HH TYR 55 22.236 3.949 -6.549 684 QB TYR 55 QB TYR 55 20.091 -0.113 -2.035 685 QD TYR 55 QD TYR 55 20.791 1.314 -3.358 686 QE TYR 55 QE TYR 55 22.085 2.735 -4.918 687 QR TYR 55 QR TYR 55 21.438 2.025 -4.138 688 H SER 56 H SER 56 16.822 1.407 -0.421 689 HA SER 56 HA SER 56 16.199 -1.211 0.489 690 1HB SER 56 2HB SER 56 14.822 1.417 1.012 691 2HB SER 56 1HB SER 56 14.577 -0.071 1.931 692 HG SER 56 HG SER 56 16.538 0.038 2.723 693 QB SER 56 QB SER 56 14.699 0.673 1.471 694 H LEU 57 H LEU 57 15.534 -0.124 -2.309 695 HA LEU 57 HA LEU 57 12.785 -0.905 -2.697 696 1HB LEU 57 2HB LEU 57 15.090 -0.482 -4.639 697 2HB LEU 57 1HB LEU 57 13.464 -0.868 -5.138 698 HG LEU 57 HG LEU 57 12.720 1.359 -4.280 699 1HD1 LEU 57 2HD1 LEU 57 14.467 1.688 -2.569 700 2HD1 LEU 57 1HD1 LEU 57 15.655 1.910 -3.851 701 3HD1 LEU 57 3HD1 LEU 57 14.324 3.059 -3.668 702 1HD2 LEU 57 2HD2 LEU 57 14.990 1.382 -6.256 703 2HD2 LEU 57 1HD2 LEU 57 13.289 1.103 -6.613 704 3HD2 LEU 57 3HD2 LEU 57 13.835 2.684 -6.049 705 MD1 LEU 57 QD1 LEU 57 14.815 2.219 -3.363 706 MD2 LEU 57 QD2 LEU 57 14.038 1.723 -6.306 707 QB LEU 57 QB LEU 57 14.277 -0.675 -4.889 708 QD LEU 57 QQD LEU 57 14.427 1.971 -4.834 709 H LEU 58 H LEU 58 15.945 -2.158 -2.501 710 HA LEU 58 HA LEU 58 15.224 -4.819 -3.454 711 1HB LEU 58 2HB LEU 58 17.932 -3.568 -2.914 712 2HB LEU 58 1HB LEU 58 17.693 -5.231 -3.371 713 HG LEU 58 HG LEU 58 16.806 -4.410 -5.585 714 1HD1 LEU 58 1HD1 LEU 58 17.882 -1.754 -4.646 715 2HD1 LEU 58 3HD1 LEU 58 17.363 -2.142 -6.288 716 3HD1 LEU 58 2HD1 LEU 58 16.192 -2.145 -4.968 717 1HD2 LEU 58 2HD2 LEU 58 19.063 -5.236 -5.325 718 2HD2 LEU 58 1HD2 LEU 58 19.015 -3.902 -6.478 719 3HD2 LEU 58 3HD2 LEU 58 19.614 -3.632 -4.843 720 MD1 LEU 58 QD1 LEU 58 17.146 -2.014 -5.301 721 MD2 LEU 58 QD2 LEU 58 19.231 -4.257 -5.549 722 QB LEU 58 QB LEU 58 17.812 -4.399 -3.143 723 QD LEU 58 QQD LEU 58 18.188 -3.135 -5.425 724 H GLU 59 H GLU 59 17.130 -3.170 -0.917 725 HA GLU 59 HA GLU 59 16.928 -5.480 0.786 726 1HB GLU 59 2HB GLU 59 18.674 -4.302 2.110 727 2HB GLU 59 1HB GLU 59 19.142 -4.575 0.448 728 1HG GLU 59 2HG GLU 59 18.489 -2.200 -0.045 729 2HG GLU 59 1HG GLU 59 18.245 -1.976 1.683 730 QB GLU 59 QB GLU 59 18.908 -4.439 1.279 731 QG GLU 59 QG GLU 59 18.367 -2.088 0.819 732 H HIS 60 H HIS 60 17.212 -4.227 3.142 733 HA HIS 60 HA HIS 60 14.461 -3.341 3.672 734 1HB HIS 60 2HB HIS 60 16.599 -4.524 5.412 735 2HB HIS 60 1HB HIS 60 15.209 -3.729 6.115 736 HD1 HIS 60 1HD HIS 60 16.377 -7.015 5.119 737 HD2 HIS 60 2HD HIS 60 12.715 -5.027 5.200 738 HE1 HIS 60 1HE HIS 60 14.624 -8.785 5.127 739 QB HIS 60 QB HIS 60 15.904 -4.126 5.763 740 H HIS 61 H HIS 61 14.424 -1.947 5.799 741 HA HIS 61 HA HIS 61 16.177 0.382 5.415 742 1HB HIS 61 2HB HIS 61 13.392 0.152 6.565 743 2HB HIS 61 1HB HIS 61 14.391 1.569 6.799 744 HD1 HIS 61 1HD HIS 61 11.997 0.059 4.461 745 HD2 HIS 61 2HD HIS 61 14.949 2.978 4.372 746 HE1 HIS 61 1HE HIS 61 11.485 1.504 2.470 747 QB HIS 61 QB HIS 61 13.891 0.860 6.682 748 H HIS 62 H HIS 62 14.257 -1.034 8.037 749 HA HIS 62 HA HIS 62 16.427 -0.354 9.868 750 1HB HIS 62 2HB HIS 62 14.722 -0.356 11.673 751 2HB HIS 62 1HB HIS 62 14.360 0.815 10.420 752 HD1 HIS 62 1HD HIS 62 12.668 -1.380 12.560 753 HD2 HIS 62 2HD HIS 62 12.352 -0.549 8.505 754 HE1 HIS 62 1HE HIS 62 10.357 -2.117 11.866 755 QB HIS 62 QB HIS 62 14.541 0.230 11.046 756 H HIS 63 H HIS 63 16.419 -2.628 8.243 757 HA HIS 63 HA HIS 63 17.046 -4.645 10.169 758 1HB HIS 63 2HB HIS 63 14.539 -4.936 9.697 759 2HB HIS 63 1HB HIS 63 14.952 -5.192 8.013 760 HD1 HIS 63 1HD HIS 63 15.788 -7.574 7.364 761 HD2 HIS 63 2HD HIS 63 15.208 -7.031 11.448 762 HE1 HIS 63 1HE HIS 63 15.898 -9.857 8.393 763 QB HIS 63 QB HIS 63 14.745 -5.064 8.855 764 H HIS 64 H HIS 64 18.015 -6.542 8.684 765 HA HIS 64 HA HIS 64 18.779 -5.489 6.082 766 1HB HIS 64 2HB HIS 64 20.646 -5.184 7.785 767 2HB HIS 64 1HB HIS 64 20.708 -6.940 7.915 768 HD1 HIS 64 1HD HIS 64 21.811 -8.226 5.884 769 HD2 HIS 64 2HD HIS 64 21.658 -4.092 5.459 770 HE1 HIS 64 1HE HIS 64 23.282 -7.663 3.924 771 QB HIS 64 QB HIS 64 20.677 -6.062 7.850 No H/Q in entry = 771 Start of MODEL 10 1 H1 MET 1 1HT MET 1 14.727 -5.978 -0.898 2 H2 MET 1 3HT MET 1 14.513 -4.833 -2.098 3 H3 MET 1 2HT MET 1 15.273 -4.414 -0.657 4 HA MET 1 HA MET 1 13.269 -4.851 0.592 5 1HB MET 1 2HB MET 1 12.886 -2.948 -1.725 6 2HB MET 1 1HB MET 1 11.759 -3.076 -0.392 7 1HG MET 1 2HG MET 1 13.139 -1.194 -0.028 8 2HG MET 1 1HG MET 1 13.581 -2.410 1.154 9 1HE MET 1 1HE MET 1 14.579 -1.979 -2.679 10 2HE MET 1 3HE MET 1 14.695 -0.351 -2.011 11 3HE MET 1 2HE MET 1 16.151 -1.207 -2.505 12 QB MET 1 QB MET 1 12.322 -3.012 -1.058 13 QG MET 1 QG MET 1 13.360 -1.802 0.563 14 ME MET 1 QE MET 1 15.142 -1.179 -2.398 15 H ASN 2 H ASN 2 12.921 -5.499 -2.853 16 HA ASN 2 HA ASN 2 11.514 -6.648 -4.067 17 1HB ASN 2 2HB ASN 2 10.527 -7.841 -1.454 18 2HB ASN 2 1HB ASN 2 9.914 -8.314 -3.025 19 1HD2 ASN 2 1HD2 ASN 2 12.574 -8.543 -0.804 20 2HD2 ASN 2 2HD2 ASN 2 13.447 -9.721 -1.694 21 QB ASN 2 QB ASN 2 10.220 -8.078 -2.239 22 QD ASN 2 QD2 ASN 2 13.011 -9.132 -1.249 23 H VAL 3 H VAL 3 10.603 -4.816 -4.816 24 HA VAL 3 HA VAL 3 8.417 -3.586 -3.477 25 HB VAL 3 HB VAL 3 8.107 -2.242 -5.539 26 1HG1 VAL 3 2HG1 VAL 3 10.952 -2.420 -4.555 27 2HG1 VAL 3 1HG1 VAL 3 10.271 -1.064 -5.457 28 3HG1 VAL 3 3HG1 VAL 3 9.655 -1.457 -3.853 29 1HG2 VAL 3 3HG2 VAL 3 8.756 -3.914 -7.211 30 2HG2 VAL 3 2HG2 VAL 3 9.702 -2.439 -7.400 31 3HG2 VAL 3 1HG2 VAL 3 10.421 -3.856 -6.634 32 MG1 VAL 3 QG1 VAL 3 10.293 -1.647 -4.622 33 MG2 VAL 3 QG2 VAL 3 9.626 -3.403 -7.082 34 QG VAL 3 QQG VAL 3 9.959 -2.525 -5.852 35 H THR 4 H THR 4 8.744 -6.196 -5.626 36 HA THR 4 HA THR 4 6.142 -6.229 -6.683 37 HB THR 4 HB THR 4 8.003 -7.581 -7.648 38 HG1 THR 4 1HG THR 4 5.650 -8.163 -7.825 39 1HG2 THR 4 1HG2 THR 4 9.009 -8.366 -5.542 40 2HG2 THR 4 3HG2 THR 4 7.593 -9.369 -5.243 41 3HG2 THR 4 2HG2 THR 4 8.647 -9.719 -6.615 42 MG THR 4 QG2 THR 4 8.416 -9.152 -5.800 43 H LYS 5 H LYS 5 7.425 -7.271 -3.599 44 HA LYS 5 HA LYS 5 5.056 -8.745 -2.894 45 1HB LYS 5 2HB LYS 5 7.338 -7.786 -1.161 46 2HB LYS 5 1HB LYS 5 6.043 -8.845 -0.623 47 1HG LYS 5 2HG LYS 5 6.753 -10.519 -2.275 48 2HG LYS 5 1HG LYS 5 8.083 -9.467 -2.755 49 1HD LYS 5 2HD LYS 5 8.942 -9.550 -0.447 50 2HD LYS 5 1HD LYS 5 7.633 -10.653 -0.015 51 1HE LYS 5 2HE LYS 5 8.462 -12.243 -1.708 52 2HE LYS 5 1HE LYS 5 9.792 -11.142 -2.053 53 1HZ LYS 5 2HZ LYS 5 10.499 -11.383 0.278 54 2HZ LYS 5 1HZ LYS 5 9.287 -12.504 0.534 55 3HZ LYS 5 3HZ LYS 5 10.536 -12.841 -0.536 56 QB LYS 5 QB LYS 5 6.690 -8.316 -0.892 57 QD LYS 5 QD LYS 5 8.288 -10.102 -0.231 58 QG LYS 5 QG LYS 5 7.418 -9.993 -2.515 59 QE LYS 5 QE LYS 5 9.127 -11.693 -1.880 60 QZ LYS 5 QZ LYS 5 10.107 -12.242 0.092 61 H LEU 6 H LEU 6 6.273 -5.553 -2.534 62 HA LEU 6 HA LEU 6 4.312 -4.634 -0.689 63 1HB LEU 6 2HB LEU 6 6.549 -3.559 -1.128 64 2HB LEU 6 1HB LEU 6 5.935 -3.095 -2.700 65 HG LEU 6 HG LEU 6 4.313 -1.602 -1.675 66 1HD1 LEU 6 1HD1 LEU 6 5.489 -2.529 0.949 67 2HD1 LEU 6 3HD1 LEU 6 4.361 -1.194 0.744 68 3HD1 LEU 6 2HD1 LEU 6 3.845 -2.835 0.371 69 1HD2 LEU 6 3HD2 LEU 6 6.549 -0.766 -2.172 70 2HD2 LEU 6 2HD2 LEU 6 5.880 0.018 -0.740 71 3HD2 LEU 6 1HD2 LEU 6 7.096 -1.248 -0.568 72 MD1 LEU 6 QD1 LEU 6 4.565 -2.186 0.688 73 MD2 LEU 6 QD2 LEU 6 6.508 -0.665 -1.160 74 QB LEU 6 QB LEU 6 6.242 -3.327 -1.914 75 QD LEU 6 QQD LEU 6 5.537 -1.426 -0.236 76 H ASN 7 H ASN 7 4.732 -4.579 -4.179 77 HA ASN 7 HA ASN 7 2.416 -3.253 -4.958 78 1HB ASN 7 2HB ASN 7 4.222 -3.759 -6.522 79 2HB ASN 7 1HB ASN 7 3.926 -5.478 -6.347 80 1HD2 ASN 7 1HD2 ASN 7 1.423 -2.972 -6.739 81 2HD2 ASN 7 2HD2 ASN 7 0.881 -3.542 -8.261 82 QB ASN 7 QB ASN 7 4.074 -4.618 -6.434 83 QD ASN 7 QD2 ASN 7 1.152 -3.257 -7.500 84 H ASP 8 H ASP 8 3.010 -6.675 -4.330 85 HA ASP 8 HA ASP 8 0.514 -7.732 -4.953 86 1HB ASP 8 2HB ASP 8 2.376 -9.199 -4.509 87 2HB ASP 8 1HB ASP 8 2.521 -8.598 -2.864 88 QB ASP 8 QB ASP 8 2.448 -8.898 -3.686 89 H ARG 9 H ARG 9 1.572 -6.089 -2.063 90 HA ARG 9 HA ARG 9 -0.739 -6.637 -0.477 91 1HB ARG 9 2HB ARG 9 1.282 -4.400 -0.283 92 2HB ARG 9 1HB ARG 9 0.056 -4.748 0.926 93 1HG ARG 9 2HG ARG 9 1.060 -6.894 1.385 94 2HG ARG 9 1HG ARG 9 2.232 -6.644 0.087 95 1HD ARG 9 2HD ARG 9 3.203 -6.175 2.282 96 2HD ARG 9 1HD ARG 9 3.159 -4.735 1.270 97 HE ARG 9 HE ARG 9 0.841 -4.826 2.816 98 1HH1 ARG 9 1HH1 ARG 9 4.326 -4.277 3.262 99 2HH1 ARG 9 2HH1 ARG 9 4.134 -3.290 4.637 100 1HH2 ARG 9 1HH2 ARG 9 0.585 -3.525 4.681 101 2HH2 ARG 9 2HH2 ARG 9 1.948 -2.878 5.504 102 QB ARG 9 QB ARG 9 0.669 -4.574 0.321 103 QG ARG 9 QG ARG 9 1.646 -6.769 0.736 104 QD ARG 9 QD ARG 9 3.181 -5.455 1.776 105 QH1 ARG 9 QH1 ARG 9 4.230 -3.784 3.949 106 QH2 ARG 9 QH2 ARG 9 1.266 -3.201 5.092 107 H ILE 10 H ILE 10 0.254 -3.981 -2.548 108 HA ILE 10 HA ILE 10 -1.958 -2.269 -2.183 109 HB ILE 10 HB ILE 10 -0.257 -2.667 -4.670 110 1HG1 ILE 10 2HG1 ILE 10 0.042 -0.655 -2.435 111 2HG1 ILE 10 1HG1 ILE 10 1.047 -2.085 -2.648 112 1HG2 ILE 10 1HG2 ILE 10 -2.330 -1.490 -5.173 113 2HG2 ILE 10 3HG2 ILE 10 -2.000 -0.329 -3.888 114 3HG2 ILE 10 2HG2 ILE 10 -0.949 -0.399 -5.305 115 1HD1 ILE 10 2HD1 ILE 10 0.838 0.233 -4.552 116 2HD1 ILE 10 1HD1 ILE 10 2.164 -0.086 -3.436 117 3HD1 ILE 10 3HD1 ILE 10 1.852 -1.195 -4.773 118 MG ILE 10 QG2 ILE 10 -1.760 -0.739 -4.789 119 MD ILE 10 QD1 ILE 10 1.618 -0.349 -4.254 120 QG ILE 10 QG1 ILE 10 0.545 -1.370 -2.542 121 H GLU 11 H GLU 11 -1.274 -4.789 -4.500 122 HA GLU 11 HA GLU 11 -3.570 -4.714 -6.067 123 1HB GLU 11 2HB GLU 11 -1.393 -5.900 -6.490 124 2HB GLU 11 1HB GLU 11 -1.903 -7.115 -5.339 125 1HG GLU 11 2HG GLU 11 -3.808 -7.661 -6.765 126 2HG GLU 11 1HG GLU 11 -3.270 -6.447 -7.925 127 QB GLU 11 QB GLU 11 -1.648 -6.507 -5.915 128 QG GLU 11 QG GLU 11 -3.539 -7.054 -7.345 129 H ALA 12 H ALA 12 -2.861 -6.452 -3.069 130 HA ALA 12 HA ALA 12 -5.320 -7.880 -2.937 131 1HB ALA 12 1HB ALA 12 -3.276 -8.602 -1.808 132 2HB ALA 12 2HB ALA 12 -4.630 -8.450 -0.682 133 3HB ALA 12 3HB ALA 12 -3.376 -7.210 -0.734 134 MB ALA 12 QB ALA 12 -3.761 -8.087 -1.075 135 H LYS 13 H LYS 13 -4.219 -4.783 -1.777 136 HA LYS 13 HA LYS 13 -6.383 -4.340 0.017 137 1HB LYS 13 2HB LYS 13 -4.229 -3.175 0.231 138 2HB LYS 13 1HB LYS 13 -4.478 -2.397 -1.314 139 1HG LYS 13 2HG LYS 13 -4.892 -0.858 0.533 140 2HG LYS 13 1HG LYS 13 -6.359 -1.135 -0.398 141 1HD LYS 13 2HD LYS 13 -6.768 -1.096 2.037 142 2HD LYS 13 1HD LYS 13 -7.205 -2.634 1.308 143 1HE LYS 13 2HE LYS 13 -5.160 -3.644 2.122 144 2HE LYS 13 1HE LYS 13 -4.608 -2.085 2.745 145 1HZ LYS 13 1HZ LYS 13 -7.119 -3.372 3.652 146 2HZ LYS 13 3HZ LYS 13 -5.620 -3.637 4.395 147 3HZ LYS 13 2HZ LYS 13 -6.253 -2.081 4.358 148 QB LYS 13 QB LYS 13 -4.354 -2.786 -0.541 149 QD LYS 13 QD LYS 13 -6.987 -1.865 1.672 150 QG LYS 13 QG LYS 13 -5.625 -0.996 0.068 151 QE LYS 13 QE LYS 13 -4.884 -2.864 2.434 152 QZ LYS 13 QZ LYS 13 -6.331 -3.030 4.135 153 H LYS 14 H LYS 14 -5.732 -3.650 -3.306 154 HA LYS 14 HA LYS 14 -7.988 -2.129 -3.931 155 1HB LYS 14 2HB LYS 14 -6.292 -3.994 -5.556 156 2HB LYS 14 1HB LYS 14 -7.621 -3.077 -6.257 157 1HG LYS 14 2HG LYS 14 -6.554 -1.017 -5.728 158 2HG LYS 14 1HG LYS 14 -5.313 -1.855 -4.789 159 1HD LYS 14 2HD LYS 14 -4.379 -2.820 -6.654 160 2HD LYS 14 1HD LYS 14 -5.767 -2.451 -7.687 161 1HE LYS 14 2HE LYS 14 -3.859 -0.451 -6.479 162 2HE LYS 14 1HE LYS 14 -3.859 -0.994 -8.162 163 1HZ LYS 14 1HZ LYS 14 -6.160 -0.095 -8.327 164 2HZ LYS 14 3HZ LYS 14 -5.984 0.606 -6.804 165 3HZ LYS 14 2HZ LYS 14 -4.998 1.072 -8.077 166 QB LYS 14 QB LYS 14 -6.956 -3.536 -5.907 167 QD LYS 14 QD LYS 14 -5.073 -2.636 -7.170 168 QG LYS 14 QG LYS 14 -5.934 -1.436 -5.258 169 QE LYS 14 QE LYS 14 -3.859 -0.722 -7.320 170 QZ LYS 14 QZ LYS 14 -5.714 0.528 -7.736 171 H LYS 15 H LYS 15 -7.523 -5.644 -3.826 172 HA LYS 15 HA LYS 15 -10.063 -6.348 -4.888 173 1HB LYS 15 2HB LYS 15 -8.391 -7.922 -2.925 174 2HB LYS 15 1HB LYS 15 -9.700 -8.552 -3.902 175 1HG LYS 15 2HG LYS 15 -7.041 -7.547 -4.865 176 2HG LYS 15 1HG LYS 15 -7.601 -9.214 -4.823 177 1HD LYS 15 2HD LYS 15 -9.404 -8.579 -6.420 178 2HD LYS 15 1HD LYS 15 -8.680 -6.971 -6.528 179 1HE LYS 15 2HE LYS 15 -7.405 -9.592 -7.292 180 2HE LYS 15 1HE LYS 15 -7.938 -8.312 -8.379 181 1HZ LYS 15 1HZ LYS 15 -5.772 -8.097 -6.375 182 2HZ LYS 15 3HZ LYS 15 -5.557 -8.277 -8.040 183 3HZ LYS 15 2HZ LYS 15 -6.248 -6.862 -7.430 184 QB LYS 15 QB LYS 15 -9.046 -8.237 -3.414 185 QD LYS 15 QD LYS 15 -9.042 -7.775 -6.474 186 QG LYS 15 QG LYS 15 -7.321 -8.380 -4.844 187 QE LYS 15 QE LYS 15 -7.671 -8.952 -7.836 188 QZ LYS 15 QZ LYS 15 -5.859 -7.745 -7.282 189 H GLU 16 H GLU 16 -8.925 -5.450 -1.784 190 HA GLU 16 HA GLU 16 -11.140 -6.380 -0.238 191 1HB GLU 16 2HB GLU 16 -8.865 -6.069 0.686 192 2HB GLU 16 1HB GLU 16 -8.978 -4.352 0.369 193 1HG GLU 16 2HG GLU 16 -10.726 -4.122 2.005 194 2HG GLU 16 1HG GLU 16 -10.755 -5.867 2.264 195 QB GLU 16 QB GLU 16 -8.922 -5.210 0.528 196 QG GLU 16 QG GLU 16 -10.741 -4.995 2.135 197 H LEU 17 H LEU 17 -9.997 -3.288 -1.441 198 HA LEU 17 HA LEU 17 -12.120 -1.710 -0.642 199 1HB LEU 17 2HB LEU 17 -9.948 -1.525 -2.562 200 2HB LEU 17 1HB LEU 17 -11.328 -0.562 -3.007 201 HG LEU 17 HG LEU 17 -9.717 0.791 -1.785 202 1HD1 LEU 17 1HD1 LEU 17 -12.062 1.302 -1.431 203 2HD1 LEU 17 3HD1 LEU 17 -12.117 0.205 -0.055 204 3HD1 LEU 17 2HD1 LEU 17 -11.115 1.650 0.013 205 1HD2 LEU 17 2HD2 LEU 17 -8.611 -1.014 -0.535 206 2HD2 LEU 17 1HD2 LEU 17 -9.098 0.313 0.527 207 3HD2 LEU 17 3HD2 LEU 17 -10.041 -1.175 0.482 208 MD1 LEU 17 QD1 LEU 17 -11.765 1.052 -0.491 209 MD2 LEU 17 QD2 LEU 17 -9.250 -0.625 0.158 210 QB LEU 17 QB LEU 17 -10.638 -1.044 -2.785 211 QD LEU 17 QQD LEU 17 -10.507 0.213 -0.166 212 H ILE 18 H ILE 18 -11.702 -3.379 -3.754 213 HA ILE 18 HA ILE 18 -14.096 -2.581 -4.938 214 HB ILE 18 HB ILE 18 -12.604 -5.208 -5.291 215 1HG1 ILE 18 2HG1 ILE 18 -12.572 -2.691 -6.977 216 2HG1 ILE 18 1HG1 ILE 18 -11.319 -3.160 -5.834 217 1HG2 ILE 18 1HG2 ILE 18 -14.910 -5.456 -6.078 218 2HG2 ILE 18 3HG2 ILE 18 -14.735 -4.015 -7.079 219 3HG2 ILE 18 2HG2 ILE 18 -13.784 -5.454 -7.435 220 1HD1 ILE 18 3HD1 ILE 18 -12.106 -4.666 -8.322 221 2HD1 ILE 18 2HD1 ILE 18 -10.673 -3.654 -8.127 222 3HD1 ILE 18 1HD1 ILE 18 -10.838 -5.136 -7.189 223 MG ILE 18 QG2 ILE 18 -14.476 -4.975 -6.864 224 MD ILE 18 QD1 ILE 18 -11.206 -4.486 -7.879 225 QG ILE 18 QG1 ILE 18 -11.945 -2.925 -6.406 226 H TYR 19 H TYR 19 -13.457 -5.214 -2.724 227 HA TYR 19 HA TYR 19 -15.989 -6.468 -2.791 228 1HB TYR 19 2HB TYR 19 -13.945 -7.547 -1.891 229 2HB TYR 19 1HB TYR 19 -13.915 -6.385 -0.576 230 HD1 TYR 19 1HD TYR 19 -15.296 -9.484 -1.793 231 HD2 TYR 19 2HD TYR 19 -15.741 -6.452 1.154 232 HE1 TYR 19 1HE TYR 19 -16.717 -10.978 -0.467 233 HE2 TYR 19 2HE TYR 19 -17.159 -7.938 2.484 234 HH TYR 19 HH TYR 19 -17.396 -11.210 1.922 235 QB TYR 19 QB TYR 19 -13.930 -6.966 -1.233 236 QD TYR 19 QD TYR 19 -15.518 -7.968 -0.320 237 QE TYR 19 QE TYR 19 -16.938 -9.458 1.009 238 QR TYR 19 QR TYR 19 -16.228 -8.713 0.345 239 H LEU 20 H LEU 20 -14.581 -4.023 -0.666 240 HA LEU 20 HA LEU 20 -16.769 -3.759 1.086 241 1HB LEU 20 2HB LEU 20 -14.627 -1.754 0.408 242 2HB LEU 20 1HB LEU 20 -15.704 -1.667 1.784 243 HG LEU 20 HG LEU 20 -13.637 -3.831 1.343 244 1HD1 LEU 20 2HD1 LEU 20 -12.623 -1.699 1.759 245 2HD1 LEU 20 1HD1 LEU 20 -13.646 -1.492 3.186 246 3HD1 LEU 20 3HD1 LEU 20 -12.443 -2.778 3.143 247 1HD2 LEU 20 3HD2 LEU 20 -15.411 -3.233 3.705 248 2HD2 LEU 20 2HD2 LEU 20 -15.542 -4.629 2.636 249 3HD2 LEU 20 1HD2 LEU 20 -14.121 -4.437 3.660 250 MD1 LEU 20 QD1 LEU 20 -12.904 -1.990 2.696 251 MD2 LEU 20 QD2 LEU 20 -15.025 -4.100 3.333 252 QB LEU 20 QB LEU 20 -15.165 -1.710 1.096 253 QD LEU 20 QQD LEU 20 -13.964 -3.045 3.015 254 H VAL 21 H VAL 21 -15.843 -1.990 -1.816 255 HA VAL 21 HA VAL 21 -17.924 -0.124 -1.759 256 HB VAL 21 HB VAL 21 -16.469 -1.263 -4.176 257 1HG1 VAL 21 3HG1 VAL 21 -18.588 -0.222 -4.876 258 2HG1 VAL 21 2HG1 VAL 21 -18.167 1.243 -3.992 259 3HG1 VAL 21 1HG1 VAL 21 -17.210 0.752 -5.391 260 1HG2 VAL 21 2HG2 VAL 21 -16.027 1.280 -2.617 261 2HG2 VAL 21 1HG2 VAL 21 -14.992 -0.151 -2.608 262 3HG2 VAL 21 3HG2 VAL 21 -15.158 0.808 -4.075 263 MG1 VAL 21 QG1 VAL 21 -17.988 0.591 -4.753 264 MG2 VAL 21 QG2 VAL 21 -15.392 0.646 -3.100 265 QG VAL 21 QQG VAL 21 -16.690 0.618 -3.926 266 H GLU 22 H GLU 22 -17.888 -3.442 -2.858 267 HA GLU 22 HA GLU 22 -20.425 -3.335 -4.066 268 1HB GLU 22 2HB GLU 22 -18.875 -5.684 -3.023 269 2HB GLU 22 1HB GLU 22 -20.437 -5.846 -3.818 270 1HG GLU 22 2HG GLU 22 -17.883 -4.773 -4.983 271 2HG GLU 22 1HG GLU 22 -18.718 -6.262 -5.420 272 QB GLU 22 QB GLU 22 -19.656 -5.765 -3.421 273 QG GLU 22 QG GLU 22 -18.301 -5.518 -5.202 274 H LYS 23 H LYS 23 -19.490 -4.377 -0.800 275 HA LYS 23 HA LYS 23 -22.271 -4.780 -0.186 276 1HB LYS 23 2HB LYS 23 -19.814 -5.277 1.444 277 2HB LYS 23 1HB LYS 23 -21.410 -5.314 2.180 278 1HG LYS 23 2HG LYS 23 -22.087 -7.040 0.531 279 2HG LYS 23 1HG LYS 23 -20.437 -7.046 -0.084 280 1HD LYS 23 2HD LYS 23 -19.585 -7.825 2.029 281 2HD LYS 23 1HD LYS 23 -21.164 -7.622 2.788 282 1HE LYS 23 2HE LYS 23 -20.834 -9.953 2.342 283 2HE LYS 23 1HE LYS 23 -22.068 -9.345 1.248 284 1HZ LYS 23 2HZ LYS 23 -20.307 -9.189 -0.483 285 2HZ LYS 23 1HZ LYS 23 -19.236 -9.913 0.613 286 3HZ LYS 23 3HZ LYS 23 -20.576 -10.758 0.046 287 QB LYS 23 QB LYS 23 -20.612 -5.296 1.812 288 QD LYS 23 QD LYS 23 -20.374 -7.723 2.409 289 QG LYS 23 QG LYS 23 -21.262 -7.043 0.224 290 QE LYS 23 QE LYS 23 -21.451 -9.649 1.795 291 QZ LYS 23 QZ LYS 23 -20.040 -9.953 0.059 292 H TYR 24 H TYR 24 -19.893 -2.363 0.793 293 HA TYR 24 HA TYR 24 -21.908 -1.088 2.500 294 1HB TYR 24 2HB TYR 24 -19.051 -0.289 1.872 295 2HB TYR 24 1HB TYR 24 -20.111 0.551 2.985 296 HD1 TYR 24 1HD TYR 24 -18.375 -2.681 2.412 297 HD2 TYR 24 2HD TYR 24 -20.203 -0.082 5.228 298 HE1 TYR 24 1HE TYR 24 -17.478 -4.047 4.239 299 HE2 TYR 24 2HE TYR 24 -19.319 -1.444 7.066 300 HH TYR 24 HH TYR 24 -18.520 -3.660 7.465 301 QB TYR 24 QB TYR 24 -19.581 0.131 2.429 302 QD TYR 24 QD TYR 24 -19.289 -1.382 3.820 303 QE TYR 24 QE TYR 24 -18.398 -2.745 5.652 304 QR TYR 24 QR TYR 24 -18.844 -2.063 4.736 305 H GLY 25 H GLY 25 -19.879 -0.389 -0.280 306 1HA GLY 25 1HA GLY 25 -21.676 1.822 -0.959 307 2HA GLY 25 2HA GLY 25 -20.994 0.731 -2.169 308 QA GLY 25 QA GLY 25 -21.335 1.276 -1.564 309 H PHE 26 H PHE 26 -20.590 3.460 -2.241 310 HA PHE 26 HA PHE 26 -17.753 3.641 -1.573 311 1HB PHE 26 2HB PHE 26 -17.558 5.228 -3.512 312 2HB PHE 26 1HB PHE 26 -18.021 3.606 -3.996 313 HD1 PHE 26 1HD PHE 26 -20.395 3.163 -4.629 314 HD2 PHE 26 2HD PHE 26 -18.916 7.090 -3.960 315 HE1 PHE 26 1HE PHE 26 -22.309 4.083 -5.840 316 HE2 PHE 26 2HE PHE 26 -20.839 8.018 -5.169 317 HZ PHE 26 HZ PHE 26 -22.543 6.520 -6.110 318 QB PHE 26 QB PHE 26 -17.790 4.417 -3.754 319 QD PHE 26 QD PHE 26 -19.656 5.126 -4.294 320 QE PHE 26 QE PHE 26 -21.574 6.050 -5.504 321 QR PHE 26 QR PHE 26 -21.000 5.775 -5.141 322 H THR 27 H THR 27 -17.102 6.088 -1.441 323 HA THR 27 HA THR 27 -17.017 7.810 -0.164 324 HB THR 27 HB THR 27 -19.062 9.272 0.101 325 HG1 THR 27 1HG THR 27 -20.329 7.121 -0.754 326 1HG2 THR 27 1HG2 THR 27 -18.173 8.495 -2.670 327 2HG2 THR 27 3HG2 THR 27 -19.052 9.972 -2.285 328 3HG2 THR 27 2HG2 THR 27 -17.441 9.710 -1.621 329 MG THR 27 QG2 THR 27 -18.222 9.392 -2.192 330 H HIS 28 H HIS 28 -17.997 5.193 1.019 331 HA HIS 28 HA HIS 28 -19.104 5.960 3.556 332 1HB HIS 28 2HB HIS 28 -19.549 3.735 2.490 333 2HB HIS 28 1HB HIS 28 -17.842 3.362 2.613 334 HD1 HIS 28 1HD HIS 28 -20.965 3.645 4.754 335 HD2 HIS 28 2HD HIS 28 -17.000 2.453 5.040 336 HE1 HIS 28 1HE HIS 28 -20.763 2.420 6.934 337 QB HIS 28 QB HIS 28 -18.696 3.548 2.551 338 H HIS 29 H HIS 29 -17.916 6.202 5.482 339 HA HIS 29 HA HIS 29 -15.369 7.278 4.938 340 1HB HIS 29 2HB HIS 29 -16.863 7.134 7.554 341 2HB HIS 29 1HB HIS 29 -15.262 7.845 7.398 342 HD1 HIS 29 1HD HIS 29 -15.200 10.270 6.715 343 HD2 HIS 29 2HD HIS 29 -18.825 8.450 5.832 344 HE1 HIS 29 1HE HIS 29 -16.693 12.082 5.831 345 QB HIS 29 QB HIS 29 -16.062 7.489 7.476 346 H LYS 30 H LYS 30 -16.214 4.262 6.485 347 HA LYS 30 HA LYS 30 -13.561 3.649 7.260 348 1HB LYS 30 2HB LYS 30 -15.677 1.688 6.305 349 2HB LYS 30 1HB LYS 30 -14.177 1.256 7.088 350 1HG LYS 30 2HG LYS 30 -14.903 2.439 9.108 351 2HG LYS 30 1HG LYS 30 -16.431 2.811 8.310 352 1HD LYS 30 2HD LYS 30 -16.882 0.424 8.037 353 2HD LYS 30 1HD LYS 30 -15.360 0.045 8.841 354 1HE LYS 30 2HE LYS 30 -17.209 -0.172 10.390 355 2HE LYS 30 1HE LYS 30 -16.165 1.162 10.866 356 1HZ LYS 30 3HZ LYS 30 -18.733 1.432 9.395 357 2HZ LYS 30 2HZ LYS 30 -18.514 1.715 11.025 358 3HZ LYS 30 1HZ LYS 30 -17.762 2.713 9.897 359 QB LYS 30 QB LYS 30 -14.927 1.472 6.696 360 QD LYS 30 QD LYS 30 -16.121 0.235 8.439 361 QG LYS 30 QG LYS 30 -15.667 2.625 8.709 362 QE LYS 30 QE LYS 30 -16.687 0.495 10.628 363 QZ LYS 30 QZ LYS 30 -18.336 1.954 10.106 364 H VAL 31 H VAL 31 -15.326 3.248 4.284 365 HA VAL 31 HA VAL 31 -13.331 1.938 2.812 366 HB VAL 31 HB VAL 31 -15.629 3.699 1.869 367 1HG1 VAL 31 3HG1 VAL 31 -13.912 1.805 0.264 368 2HG1 VAL 31 2HG1 VAL 31 -15.350 2.642 -0.324 369 3HG1 VAL 31 1HG1 VAL 31 -13.916 3.563 0.135 370 1HG2 VAL 31 1HG2 VAL 31 -16.340 1.713 3.087 371 2HG2 VAL 31 3HG2 VAL 31 -16.737 1.569 1.372 372 3HG2 VAL 31 2HG2 VAL 31 -15.354 0.701 2.036 373 MG1 VAL 31 QG1 VAL 31 -14.393 2.670 0.025 374 MG2 VAL 31 QG2 VAL 31 -16.144 1.328 2.165 375 QG VAL 31 QQG VAL 31 -15.268 1.999 1.095 376 H ILE 32 H ILE 32 -14.075 5.353 3.296 377 HA ILE 32 HA ILE 32 -12.055 6.467 1.683 378 HB ILE 32 HB ILE 32 -13.253 7.530 4.269 379 1HG1 ILE 32 2HG1 ILE 32 -13.885 8.188 1.378 380 2HG1 ILE 32 1HG1 ILE 32 -14.872 7.194 2.444 381 1HG2 ILE 32 1HG2 ILE 32 -11.103 8.612 3.870 382 2HG2 ILE 32 3HG2 ILE 32 -11.604 9.033 2.230 383 3HG2 ILE 32 2HG2 ILE 32 -12.428 9.746 3.612 384 1HD1 ILE 32 1HD1 ILE 32 -14.276 10.123 2.800 385 2HD1 ILE 32 3HD1 ILE 32 -15.780 9.435 2.199 386 3HD1 ILE 32 2HD1 ILE 32 -15.282 9.144 3.867 387 MG ILE 32 QG2 ILE 32 -11.712 9.130 3.237 388 MD ILE 32 QD1 ILE 32 -15.113 9.567 2.955 389 QG ILE 32 QG1 ILE 32 -14.378 7.691 1.911 390 H SER 33 H SER 33 -11.979 5.469 5.068 391 HA SER 33 HA SER 33 -9.324 6.163 5.562 392 1HB SER 33 2HB SER 33 -11.017 4.011 6.847 393 2HB SER 33 1HB SER 33 -9.533 4.691 7.526 394 HG SER 33 HG SER 33 -12.091 5.772 7.402 395 QB SER 33 QB SER 33 -10.275 4.351 7.187 396 H PHE 34 H PHE 34 -10.725 3.224 4.181 397 HA PHE 34 HA PHE 34 -8.181 1.927 4.063 398 1HB PHE 34 2HB PHE 34 -10.719 1.193 2.602 399 2HB PHE 34 1HB PHE 34 -9.286 0.179 2.755 400 HD1 PHE 34 1HD PHE 34 -8.603 0.524 5.605 401 HD2 PHE 34 2HD PHE 34 -12.372 0.082 3.706 402 HE1 PHE 34 1HE PHE 34 -9.531 -0.417 7.674 403 HE2 PHE 34 2HE PHE 34 -13.309 -0.859 5.744 404 HZ PHE 34 HZ PHE 34 -11.887 -1.105 7.761 405 QB PHE 34 QB PHE 34 -10.003 0.686 2.678 406 QD PHE 34 QD PHE 34 -10.487 0.303 4.656 407 QE PHE 34 QE PHE 34 -11.420 -0.638 6.709 408 QR PHE 34 QR PHE 34 -11.140 -0.355 6.098 409 H SER 35 H SER 35 -9.982 3.982 1.923 410 HA SER 35 HA SER 35 -8.518 3.449 -0.432 411 1HB SER 35 2HB SER 35 -9.996 5.979 0.361 412 2HB SER 35 1HB SER 35 -9.450 5.585 -1.269 413 HG SER 35 HG SER 35 -11.253 4.000 0.257 414 QB SER 35 QB SER 35 -9.723 5.782 -0.454 415 H GLN 36 H GLN 36 -8.091 5.834 2.156 416 HA GLN 36 HA GLN 36 -5.730 6.913 0.997 417 1HB GLN 36 2HB GLN 36 -5.345 8.002 3.193 418 2HB GLN 36 1HB GLN 36 -6.965 8.270 2.571 419 1HG GLN 36 2HG GLN 36 -7.797 6.509 4.063 420 2HG GLN 36 1HG GLN 36 -6.172 6.333 4.719 421 1HE2 GLN 36 1HE2 GLN 36 -8.960 8.363 4.501 422 2HE2 GLN 36 2HE2 GLN 36 -8.563 9.403 5.820 423 QB GLN 36 QB GLN 36 -6.155 8.136 2.882 424 QG GLN 36 QG GLN 36 -6.985 6.421 4.391 425 QE GLN 36 QE2 GLN 36 -8.761 8.883 5.161 426 H GLU 37 H GLU 37 -6.406 4.232 3.058 427 HA GLU 37 HA GLU 37 -3.763 3.672 3.899 428 1HB GLU 37 2HB GLU 37 -5.744 2.695 4.975 429 2HB GLU 37 1HB GLU 37 -6.121 1.827 3.500 430 1HG GLU 37 2HG GLU 37 -4.233 0.424 3.743 431 2HG GLU 37 1HG GLU 37 -3.602 1.397 5.069 432 QB GLU 37 QB GLU 37 -5.932 2.261 4.238 433 QG GLU 37 QG GLU 37 -3.917 0.910 4.406 434 H LEU 38 H LEU 38 -5.661 2.677 1.116 435 HA LEU 38 HA LEU 38 -3.772 1.060 -0.186 436 1HB LEU 38 2HB LEU 38 -6.176 1.266 -0.832 437 2HB LEU 38 1HB LEU 38 -5.897 2.900 -1.356 438 HG LEU 38 HG LEU 38 -6.196 1.217 -3.195 439 1HD1 LEU 38 3HD1 LEU 38 -5.098 3.312 -3.707 440 2HD1 LEU 38 2HD1 LEU 38 -3.542 2.628 -3.236 441 3HD1 LEU 38 1HD1 LEU 38 -4.397 1.985 -4.639 442 1HD2 LEU 38 3HD2 LEU 38 -3.538 0.203 -2.232 443 2HD2 LEU 38 2HD2 LEU 38 -5.077 -0.659 -2.235 444 3HD2 LEU 38 1HD2 LEU 38 -4.301 -0.234 -3.761 445 MD1 LEU 38 QD1 LEU 38 -4.346 2.642 -3.861 446 MD2 LEU 38 QD2 LEU 38 -4.305 -0.230 -2.742 447 QB LEU 38 QB LEU 38 -6.037 2.083 -1.094 448 QD LEU 38 QQD LEU 38 -4.326 1.206 -3.302 449 H ASP 39 H ASP 39 -4.382 4.510 -0.255 450 HA ASP 39 HA ASP 39 -2.392 5.245 -2.092 451 1HB ASP 39 2HB ASP 39 -4.239 6.741 -1.521 452 2HB ASP 39 1HB ASP 39 -3.659 6.844 0.135 453 QB ASP 39 QB ASP 39 -3.949 6.792 -0.693 454 H ARG 40 H ARG 40 -2.300 4.800 1.395 455 HA ARG 40 HA ARG 40 0.299 5.802 1.881 456 1HB ARG 40 2HB ARG 40 -0.976 3.447 3.284 457 2HB ARG 40 1HB ARG 40 0.371 4.405 3.866 458 1HG ARG 40 2HG ARG 40 -2.478 5.289 3.539 459 2HG ARG 40 1HG ARG 40 -1.635 4.971 5.053 460 1HD ARG 40 2HD ARG 40 -0.115 6.835 4.548 461 2HD ARG 40 1HD ARG 40 -1.022 7.151 3.067 462 HE ARG 40 HE ARG 40 -2.484 7.079 5.546 463 1HH1 ARG 40 1HH1 ARG 40 -1.060 9.090 3.009 464 2HH1 ARG 40 2HH1 ARG 40 -1.892 10.499 3.437 465 1HH2 ARG 40 1HH2 ARG 40 -3.672 9.001 6.140 466 2HH2 ARG 40 2HH2 ARG 40 -3.437 10.442 5.275 467 QB ARG 40 QB ARG 40 -0.303 3.926 3.575 468 QG ARG 40 QG ARG 40 -2.056 5.130 4.296 469 QD ARG 40 QD ARG 40 -0.568 6.993 3.807 470 QH1 ARG 40 QH1 ARG 40 -1.476 9.795 3.223 471 QH2 ARG 40 QH2 ARG 40 -3.554 9.721 5.708 472 H LEU 41 H LEU 41 -0.853 2.567 1.075 473 HA LEU 41 HA LEU 41 1.637 1.274 1.040 474 1HB LEU 41 2HB LEU 41 -0.842 0.625 -0.561 475 2HB LEU 41 1HB LEU 41 0.523 -0.446 -0.326 476 HG LEU 41 HG LEU 41 -1.341 0.513 1.846 477 1HD1 LEU 41 2HD1 LEU 41 -2.415 -1.038 0.317 478 2HD1 LEU 41 1HD1 LEU 41 -1.079 -2.172 0.510 479 3HD1 LEU 41 3HD1 LEU 41 -2.124 -1.801 1.883 480 1HD2 LEU 41 3HD2 LEU 41 0.932 -1.475 1.930 481 2HD2 LEU 41 2HD2 LEU 41 0.906 0.113 2.705 482 3HD2 LEU 41 1HD2 LEU 41 -0.195 -1.147 3.245 483 MD1 LEU 41 QD1 LEU 41 -1.873 -1.670 0.903 484 MD2 LEU 41 QD2 LEU 41 0.548 -0.836 2.627 485 QB LEU 41 QB LEU 41 -0.160 0.090 -0.443 486 QD LEU 41 QQD LEU 41 -0.663 -1.253 1.765 487 H LEU 42 H LEU 42 -0.185 2.895 -1.487 488 HA LEU 42 HA LEU 42 1.587 2.391 -3.620 489 1HB LEU 42 2HB LEU 42 -0.712 3.226 -3.915 490 2HB LEU 42 1HB LEU 42 -0.255 4.739 -3.165 491 HG LEU 42 HG LEU 42 1.302 5.158 -5.061 492 1HD1 LEU 42 3HD1 LEU 42 0.009 2.709 -6.244 493 2HD1 LEU 42 2HD1 LEU 42 1.055 3.834 -7.104 494 3HD1 LEU 42 1HD1 LEU 42 1.699 2.877 -5.770 495 1HD2 LEU 42 1HD2 LEU 42 -0.925 6.133 -5.020 496 2HD2 LEU 42 3HD2 LEU 42 -0.452 5.728 -6.670 497 3HD2 LEU 42 2HD2 LEU 42 -1.586 4.696 -5.795 498 MD1 LEU 42 QD1 LEU 42 0.921 3.140 -6.373 499 MD2 LEU 42 QD2 LEU 42 -0.988 5.519 -5.828 500 QB LEU 42 QB LEU 42 -0.483 3.983 -3.540 501 QD LEU 42 QQD LEU 42 -0.034 4.329 -6.101 502 H ASN 43 H ASN 43 1.395 4.968 -1.249 503 HA ASN 43 HA ASN 43 3.536 6.497 -2.283 504 1HB ASN 43 2HB ASN 43 1.933 6.597 0.205 505 2HB ASN 43 1HB ASN 43 3.519 7.359 0.250 506 1HD2 ASN 43 1HD2 ASN 43 0.357 7.433 -1.184 507 2HD2 ASN 43 2HD2 ASN 43 0.502 9.004 -1.864 508 QB ASN 43 QB ASN 43 2.726 6.978 0.227 509 QD ASN 43 QD2 ASN 43 0.430 8.219 -1.524 510 H LEU 44 H LEU 44 3.485 3.662 -0.390 511 HA LEU 44 HA LEU 44 5.921 4.014 0.936 512 1HB LEU 44 2HB LEU 44 4.508 1.497 0.114 513 2HB LEU 44 1HB LEU 44 5.991 1.479 1.052 514 HG LEU 44 HG LEU 44 3.348 2.671 1.912 515 1HD1 LEU 44 3HD1 LEU 44 4.826 0.224 2.857 516 2HD1 LEU 44 2HD1 LEU 44 3.352 0.871 3.570 517 3HD1 LEU 44 1HD1 LEU 44 3.329 0.238 1.924 518 1HD2 LEU 44 1HD2 LEU 44 5.979 2.476 3.384 519 2HD2 LEU 44 3HD2 LEU 44 5.172 3.960 2.863 520 3HD2 LEU 44 2HD2 LEU 44 4.443 2.946 4.101 521 MD1 LEU 44 QD1 LEU 44 3.836 0.444 2.784 522 MD2 LEU 44 QD2 LEU 44 5.198 3.127 3.449 523 QB LEU 44 QB LEU 44 5.249 1.488 0.583 524 QD LEU 44 QQD LEU 44 4.517 1.786 3.117 525 H LEU 45 H LEU 45 5.245 3.028 -2.338 526 HA LEU 45 HA LEU 45 7.883 2.135 -2.936 527 1HB LEU 45 2HB LEU 45 5.728 3.209 -4.772 528 2HB LEU 45 1HB LEU 45 7.271 2.631 -5.345 529 HG LEU 45 HG LEU 45 6.658 0.375 -4.357 530 1HD1 LEU 45 1HD1 LEU 45 4.914 1.072 -2.835 531 2HD1 LEU 45 3HD1 LEU 45 3.925 1.610 -4.194 532 3HD1 LEU 45 2HD1 LEU 45 4.309 -0.100 -4.006 533 1HD2 LEU 45 3HD2 LEU 45 6.562 0.831 -6.736 534 2HD2 LEU 45 2HD2 LEU 45 5.237 -0.226 -6.251 535 3HD2 LEU 45 1HD2 LEU 45 4.934 1.485 -6.561 536 MD1 LEU 45 QD1 LEU 45 4.383 0.861 -3.678 537 MD2 LEU 45 QD2 LEU 45 5.578 0.697 -6.516 538 QB LEU 45 QB LEU 45 6.500 2.920 -5.058 539 QD LEU 45 QQD LEU 45 4.980 0.779 -5.097 540 H ILE 46 H ILE 46 6.295 5.208 -2.981 541 HA ILE 46 HA ILE 46 8.406 6.725 -4.179 542 HB ILE 46 HB ILE 46 6.083 7.601 -2.422 543 1HG1 ILE 46 2HG1 ILE 46 6.303 7.551 -5.442 544 2HG1 ILE 46 1HG1 ILE 46 5.374 6.417 -4.471 545 1HG2 ILE 46 3HG2 ILE 46 7.812 9.316 -2.498 546 2HG2 ILE 46 2HG2 ILE 46 7.811 9.259 -4.264 547 3HG2 ILE 46 1HG2 ILE 46 6.379 9.817 -3.395 548 1HD1 ILE 46 2HD1 ILE 46 3.933 8.242 -3.724 549 2HD1 ILE 46 1HD1 ILE 46 4.873 9.374 -4.704 550 3HD1 ILE 46 3HD1 ILE 46 3.944 8.094 -5.482 551 MG ILE 46 QG2 ILE 46 7.334 9.464 -3.385 552 MD ILE 46 QD1 ILE 46 4.250 8.570 -4.637 553 QG ILE 46 QG1 ILE 46 5.838 6.984 -4.957 554 H GLU 47 H GLU 47 7.215 6.175 -0.946 555 HA GLU 47 HA GLU 47 8.936 7.699 0.601 556 1HB GLU 47 2HB GLU 47 6.801 6.710 1.331 557 2HB GLU 47 1HB GLU 47 7.523 5.119 1.219 558 1HG GLU 47 2HG GLU 47 7.275 5.952 3.515 559 2HG GLU 47 1HG GLU 47 8.929 5.546 3.082 560 QB GLU 47 QB GLU 47 7.162 5.915 1.275 561 QG GLU 47 QG GLU 47 8.102 5.749 3.299 562 H LEU 48 H LEU 48 9.358 4.522 -0.793 563 HA LEU 48 HA LEU 48 11.574 3.643 0.648 564 1HB LEU 48 2HB LEU 48 10.218 2.272 -0.808 565 2HB LEU 48 1HB LEU 48 10.887 3.102 -2.197 566 HG LEU 48 HG LEU 48 13.055 2.157 -1.840 567 1HD1 LEU 48 1HD1 LEU 48 13.084 2.342 0.656 568 2HD1 LEU 48 3HD1 LEU 48 11.952 0.991 0.745 569 3HD1 LEU 48 2HD1 LEU 48 13.581 0.759 0.098 570 1HD2 LEU 48 3HD2 LEU 48 11.343 0.773 -2.863 571 2HD2 LEU 48 2HD2 LEU 48 12.516 -0.203 -1.936 572 3HD2 LEU 48 1HD2 LEU 48 10.928 0.213 -1.245 573 MD1 LEU 48 QD1 LEU 48 12.872 1.364 0.499 574 MD2 LEU 48 QD2 LEU 48 11.595 0.261 -2.014 575 QB LEU 48 QB LEU 48 10.552 2.687 -1.502 576 QD LEU 48 QQD LEU 48 12.234 0.812 -0.758 577 H LYS 49 H LYS 49 11.333 5.790 -2.133 578 HA LYS 49 HA LYS 49 14.145 5.883 -2.656 579 1HB LYS 49 2HB LYS 49 11.995 7.878 -3.390 580 2HB LYS 49 1HB LYS 49 13.607 7.811 -4.079 581 1HG LYS 49 2HG LYS 49 13.084 5.606 -5.030 582 2HG LYS 49 1HG LYS 49 11.453 5.728 -4.368 583 1HD LYS 49 2HD LYS 49 11.126 7.804 -5.664 584 2HD LYS 49 1HD LYS 49 12.717 7.577 -6.385 585 1HE LYS 49 2HE LYS 49 11.968 5.426 -7.318 586 2HE LYS 49 1HE LYS 49 10.376 5.691 -6.607 587 1HZ LYS 49 1HZ LYS 49 10.199 7.724 -7.969 588 2HZ LYS 49 3HZ LYS 49 11.665 7.342 -8.706 589 3HZ LYS 49 2HZ LYS 49 10.345 6.335 -8.899 590 QB LYS 49 QB LYS 49 12.801 7.844 -3.735 591 QD LYS 49 QD LYS 49 11.921 7.691 -6.025 592 QG LYS 49 QG LYS 49 12.269 5.667 -4.699 593 QE LYS 49 QE LYS 49 11.172 5.558 -6.962 594 QZ LYS 49 QZ LYS 49 10.736 7.134 -8.525 595 H THR 50 H THR 50 11.828 7.705 -0.815 596 HA THR 50 HA THR 50 13.303 9.905 -0.022 597 HB THR 50 HB THR 50 11.143 8.446 1.513 598 HG1 THR 50 1HG THR 50 9.746 9.758 0.231 599 1HG2 THR 50 3HG2 THR 50 12.235 10.346 2.704 600 2HG2 THR 50 2HG2 THR 50 11.840 11.392 1.342 601 3HG2 THR 50 1HG2 THR 50 10.548 10.690 2.313 602 MG THR 50 QG2 THR 50 11.541 10.809 2.120 603 H LYS 51 H LYS 51 13.453 6.612 0.986 604 HA LYS 51 HA LYS 51 14.572 6.910 3.570 605 1HB LYS 51 2HB LYS 51 14.905 4.587 1.670 606 2HB LYS 51 1HB LYS 51 15.218 4.551 3.394 607 1HG LYS 51 2HG LYS 51 12.576 4.832 1.998 608 2HG LYS 51 1HG LYS 51 13.138 3.475 2.978 609 1HD LYS 51 2HD LYS 51 13.172 4.960 4.934 610 2HD LYS 51 1HD LYS 51 12.536 6.269 3.924 611 1HE LYS 51 2HE LYS 51 10.630 4.730 3.372 612 2HE LYS 51 1HE LYS 51 11.208 3.677 4.650 613 1HZ LYS 51 1HZ LYS 51 10.985 5.600 6.206 614 2HZ LYS 51 3HZ LYS 51 10.249 6.470 4.945 615 3HZ LYS 51 2HZ LYS 51 9.528 5.080 5.551 616 QB LYS 51 QB LYS 51 15.062 4.569 2.532 617 QD LYS 51 QD LYS 51 12.854 5.615 4.429 618 QG LYS 51 QG LYS 51 12.857 4.154 2.488 619 QE LYS 51 QE LYS 51 10.919 4.203 4.011 620 QZ LYS 51 QZ LYS 51 10.254 5.717 5.568 621 H LYS 52 H LYS 52 15.863 7.423 0.498 622 HA LYS 52 HA LYS 52 17.817 7.882 -0.428 623 1HB LYS 52 2HB LYS 52 19.510 9.149 0.738 624 2HB LYS 52 1HB LYS 52 17.938 9.670 1.303 625 1HG LYS 52 2HG LYS 52 18.241 8.405 3.357 626 2HG LYS 52 1HG LYS 52 19.775 7.787 2.768 627 1HD LYS 52 2HD LYS 52 20.697 10.035 2.729 628 2HD LYS 52 1HD LYS 52 19.142 10.694 3.245 629 1HE LYS 52 2HE LYS 52 20.817 8.742 4.823 630 2HE LYS 52 1HE LYS 52 20.754 10.479 5.109 631 1HZ LYS 52 3HZ LYS 52 18.385 10.267 5.574 632 2HZ LYS 52 2HZ LYS 52 18.467 8.602 5.314 633 3HZ LYS 52 1HZ LYS 52 19.282 9.280 6.608 634 QB LYS 52 QB LYS 52 18.724 9.410 1.021 635 QD LYS 52 QD LYS 52 19.920 10.365 2.987 636 QG LYS 52 QG LYS 52 19.008 8.096 3.062 637 QE LYS 52 QE LYS 52 20.785 9.611 4.966 638 QZ LYS 52 QZ LYS 52 18.711 9.383 5.832 639 H LYS 53 H LYS 53 17.502 5.227 1.158 640 HA LYS 53 HA LYS 53 20.240 4.322 0.765 641 1HB LYS 53 2HB LYS 53 19.458 2.179 1.796 642 2HB LYS 53 1HB LYS 53 19.312 3.574 2.843 643 1HG LYS 53 2HG LYS 53 17.371 2.276 3.212 644 2HG LYS 53 1HG LYS 53 16.860 3.638 2.235 645 1HD LYS 53 2HD LYS 53 15.736 1.741 1.357 646 2HD LYS 53 1HD LYS 53 17.033 2.088 0.226 647 1HE LYS 53 2HE LYS 53 17.151 -0.042 2.382 648 2HE LYS 53 1HE LYS 53 16.714 -0.346 0.711 649 1HZ LYS 53 2HZ LYS 53 19.016 0.516 0.132 650 2HZ LYS 53 1HZ LYS 53 19.365 0.503 1.755 651 3HZ LYS 53 3HZ LYS 53 18.969 -0.930 0.993 652 QB LYS 53 QB LYS 53 19.385 2.876 2.320 653 QD LYS 53 QD LYS 53 16.385 1.915 0.792 654 QG LYS 53 QG LYS 53 17.115 2.957 2.723 655 QE LYS 53 QE LYS 53 16.933 -0.194 1.546 656 QZ LYS 53 QZ LYS 53 19.117 0.030 0.960 657 H ARG 54 H ARG 54 18.191 5.069 -1.150 658 HA ARG 54 HA ARG 54 17.665 2.844 -2.842 659 1HB ARG 54 2HB ARG 54 17.218 4.669 -4.563 660 2HB ARG 54 1HB ARG 54 16.226 4.717 -3.113 661 1HG ARG 54 2HG ARG 54 17.600 6.520 -2.217 662 2HG ARG 54 1HG ARG 54 18.656 6.429 -3.627 663 1HD ARG 54 2HD ARG 54 16.890 7.160 -5.064 664 2HD ARG 54 1HD ARG 54 15.704 7.059 -3.764 665 HE ARG 54 HE ARG 54 17.206 8.854 -2.694 666 1HH1 ARG 54 1HH1 ARG 54 16.558 8.638 -6.206 667 2HH1 ARG 54 2HH1 ARG 54 16.722 10.296 -6.458 668 1HH2 ARG 54 1HH2 ARG 54 17.437 11.140 -3.080 669 2HH2 ARG 54 2HH2 ARG 54 17.218 11.757 -4.642 670 QB ARG 54 QB ARG 54 16.722 4.693 -3.838 671 QG ARG 54 QG ARG 54 18.128 6.475 -2.922 672 QD ARG 54 QD ARG 54 16.297 7.109 -4.414 673 QH1 ARG 54 QH1 ARG 54 16.640 9.467 -6.332 674 QH2 ARG 54 QH2 ARG 54 17.327 11.448 -3.861 675 H TYR 55 H TYR 55 18.845 2.087 -4.564 676 HA TYR 55 HA TYR 55 21.641 2.528 -4.403 677 1HB TYR 55 2HB TYR 55 19.998 0.868 -6.288 678 2HB TYR 55 1HB TYR 55 21.760 0.917 -6.328 679 HD1 TYR 55 1HD TYR 55 18.828 -0.310 -4.506 680 HD2 TYR 55 2HD TYR 55 23.074 -0.025 -4.495 681 HE1 TYR 55 1HE TYR 55 18.939 -2.025 -2.742 682 HE2 TYR 55 2HE TYR 55 23.193 -1.734 -2.735 683 HH TYR 55 HH TYR 55 21.712 -2.598 -0.944 684 QB TYR 55 QB TYR 55 20.879 0.893 -6.308 685 QD TYR 55 QD TYR 55 20.951 -0.167 -4.500 686 QE TYR 55 QE TYR 55 21.066 -1.879 -2.738 687 QR TYR 55 QR TYR 55 21.009 -1.023 -3.619 688 H SER 56 H SER 56 19.228 4.092 -6.027 689 HA SER 56 HA SER 56 20.582 5.038 -8.305 690 1HB SER 56 2HB SER 56 18.410 6.406 -6.720 691 2HB SER 56 1HB SER 56 18.818 6.654 -8.422 692 HG SER 56 HG SER 56 18.196 4.569 -8.853 693 QB SER 56 QB SER 56 18.614 6.530 -7.571 694 H LEU 57 H LEU 57 21.256 5.591 -5.031 695 HA LEU 57 HA LEU 57 22.612 8.103 -5.697 696 1HB LEU 57 2HB LEU 57 21.921 6.920 -3.001 697 2HB LEU 57 1HB LEU 57 22.879 8.370 -3.228 698 HG LEU 57 HG LEU 57 19.975 8.039 -4.003 699 1HD1 LEU 57 3HD1 LEU 57 20.293 8.122 -1.595 700 2HD1 LEU 57 2HD1 LEU 57 21.247 9.596 -1.760 701 3HD1 LEU 57 1HD1 LEU 57 19.537 9.597 -2.189 702 1HD2 LEU 57 2HD2 LEU 57 21.781 10.459 -4.120 703 2HD2 LEU 57 1HD2 LEU 57 21.112 9.595 -5.502 704 3HD2 LEU 57 3HD2 LEU 57 20.042 10.465 -4.402 705 MD1 LEU 57 QD1 LEU 57 20.359 9.105 -1.848 706 MD2 LEU 57 QD2 LEU 57 20.978 10.173 -4.674 707 QB LEU 57 QB LEU 57 22.400 7.645 -3.115 708 QD LEU 57 QQD LEU 57 20.669 9.639 -3.261 709 H LEU 58 H LEU 58 23.160 4.945 -5.753 710 HA LEU 58 HA LEU 58 25.913 5.154 -4.750 711 1HB LEU 58 2HB LEU 58 24.132 2.735 -5.031 712 2HB LEU 58 1HB LEU 58 25.859 2.587 -4.847 713 HG LEU 58 HG LEU 58 25.654 3.733 -2.620 714 1HD1 LEU 58 2HD1 LEU 58 23.530 4.876 -3.007 715 2HD1 LEU 58 1HD1 LEU 58 22.702 3.328 -3.024 716 3HD1 LEU 58 3HD1 LEU 58 23.488 3.882 -1.544 717 1HD2 LEU 58 2HD2 LEU 58 25.837 1.324 -2.813 718 2HD2 LEU 58 1HD2 LEU 58 24.767 1.761 -1.478 719 3HD2 LEU 58 3HD2 LEU 58 24.092 1.199 -3.005 720 MD1 LEU 58 QD1 LEU 58 23.240 4.029 -2.525 721 MD2 LEU 58 QD2 LEU 58 24.899 1.428 -2.432 722 QB LEU 58 QB LEU 58 24.996 2.661 -4.939 723 QD LEU 58 QQD LEU 58 24.070 2.728 -2.479 724 H GLU 59 H GLU 59 24.012 3.583 -7.324 725 HA GLU 59 HA GLU 59 26.425 3.361 -8.933 726 1HB GLU 59 2HB GLU 59 24.992 2.145 -10.538 727 2HB GLU 59 1HB GLU 59 24.940 1.441 -8.932 728 1HG GLU 59 2HG GLU 59 22.799 2.344 -8.505 729 2HG GLU 59 1HG GLU 59 22.845 3.340 -9.958 730 QB GLU 59 QB GLU 59 24.966 1.793 -9.735 731 QG GLU 59 QG GLU 59 22.822 2.842 -9.232 732 H HIS 60 H HIS 60 24.482 5.714 -8.263 733 HA HIS 60 HA HIS 60 24.739 7.021 -10.835 734 1HB HIS 60 2HB HIS 60 22.468 6.190 -10.818 735 2HB HIS 60 1HB HIS 60 22.228 6.725 -9.164 736 HD1 HIS 60 1HD HIS 60 21.478 9.119 -8.825 737 HD2 HIS 60 2HD HIS 60 22.253 8.177 -12.782 738 HE1 HIS 60 1HE HIS 60 20.528 11.029 -10.197 739 QB HIS 60 QB HIS 60 22.348 6.458 -9.991 740 H HIS 61 H HIS 61 26.038 8.653 -10.322 741 HA HIS 61 HA HIS 61 26.127 9.668 -7.615 742 1HB HIS 61 2HB HIS 61 27.798 10.384 -10.043 743 2HB HIS 61 1HB HIS 61 28.038 11.048 -8.433 744 HD1 HIS 61 1HD HIS 61 29.417 9.603 -6.765 745 HD2 HIS 61 2HD HIS 61 28.467 7.638 -10.314 746 HE1 HIS 61 1HE HIS 61 30.762 7.491 -6.778 747 QB HIS 61 QB HIS 61 27.918 10.716 -9.238 748 H HIS 62 H HIS 62 24.448 10.847 -7.228 749 HA HIS 62 HA HIS 62 23.554 12.788 -9.202 750 1HB HIS 62 2HB HIS 62 21.838 11.339 -8.203 751 2HB HIS 62 1HB HIS 62 22.278 11.898 -6.596 752 HD1 HIS 62 1HD HIS 62 20.884 13.844 -5.724 753 HD2 HIS 62 2HD HIS 62 20.794 13.509 -9.874 754 HE1 HIS 62 1HE HIS 62 19.286 15.583 -6.532 755 QB HIS 62 QB HIS 62 22.058 11.619 -7.400 756 H HIS 63 H HIS 63 23.838 12.836 -5.673 757 HA HIS 63 HA HIS 63 25.549 14.981 -5.308 758 1HB HIS 63 2HB HIS 63 23.695 16.216 -6.557 759 2HB HIS 63 1HB HIS 63 22.596 15.762 -5.272 760 HD1 HIS 63 1HD HIS 63 24.628 18.517 -6.367 761 HD2 HIS 63 2HD HIS 63 23.540 16.948 -2.676 762 HE1 HIS 63 1HE HIS 63 24.924 20.371 -4.725 763 QB HIS 63 QB HIS 63 23.145 15.989 -5.915 764 H HIS 64 H HIS 64 25.987 14.784 -3.059 765 HA HIS 64 HA HIS 64 23.906 13.536 -1.563 766 1HB HIS 64 2HB HIS 64 25.765 12.873 -0.016 767 2HB HIS 64 1HB HIS 64 25.692 11.970 -1.527 768 HD1 HIS 64 1HD HIS 64 27.804 12.412 -3.174 769 HD2 HIS 64 2HD HIS 64 28.035 14.235 0.561 770 HE1 HIS 64 1HE HIS 64 30.204 13.025 -2.846 771 QB HIS 64 QB HIS 64 25.728 12.422 -0.771 No H/Q in entry = 771 Start of MODEL 11 1 H1 MET 1 1HT MET 1 11.153 -3.047 1.784 2 H2 MET 1 3HT MET 1 10.565 -4.570 2.199 3 H3 MET 1 2HT MET 1 11.493 -3.673 3.289 4 HA MET 1 HA MET 1 13.385 -3.749 1.856 5 1HB MET 1 2HB MET 1 12.254 -6.516 2.419 6 2HB MET 1 1HB MET 1 13.929 -6.181 2.017 7 1HG MET 1 2HG MET 1 14.156 -4.850 4.047 8 2HG MET 1 1HG MET 1 12.471 -5.171 4.447 9 1HE MET 1 1HE MET 1 14.826 -5.642 6.477 10 2HE MET 1 3HE MET 1 13.139 -6.007 6.844 11 3HE MET 1 2HE MET 1 14.389 -7.210 7.153 12 QB MET 1 QB MET 1 13.092 -6.348 2.218 13 QG MET 1 QG MET 1 13.314 -5.010 4.247 14 ME MET 1 QE MET 1 14.118 -6.287 6.825 15 H ASN 2 H ASN 2 11.239 -6.320 0.549 16 HA ASN 2 HA ASN 2 12.318 -5.642 -2.086 17 1HB ASN 2 2HB ASN 2 12.407 -8.046 -1.278 18 2HB ASN 2 1HB ASN 2 10.649 -8.052 -1.291 19 1HD2 ASN 2 1HD2 ASN 2 12.492 -9.722 -2.785 20 2HD2 ASN 2 2HD2 ASN 2 12.138 -9.476 -4.443 21 QB ASN 2 QB ASN 2 11.528 -8.049 -1.285 22 QD ASN 2 QD2 ASN 2 12.315 -9.599 -3.614 23 H VAL 3 H VAL 3 11.115 -4.558 -3.463 24 HA VAL 3 HA VAL 3 8.705 -3.393 -2.699 25 HB VAL 3 HB VAL 3 8.539 -2.481 -4.964 26 1HG1 VAL 3 3HG1 VAL 3 9.924 -1.362 -3.307 27 2HG1 VAL 3 2HG1 VAL 3 11.306 -2.359 -3.771 28 3HG1 VAL 3 1HG1 VAL 3 10.636 -1.195 -4.914 29 1HG2 VAL 3 3HG2 VAL 3 9.372 -4.396 -6.230 30 2HG2 VAL 3 2HG2 VAL 3 10.293 -2.941 -6.623 31 3HG2 VAL 3 1HG2 VAL 3 10.977 -4.156 -5.542 32 MG1 VAL 3 QG1 VAL 3 10.622 -1.639 -3.997 33 MG2 VAL 3 QG2 VAL 3 10.214 -3.831 -6.132 34 QG VAL 3 QQG VAL 3 10.418 -2.735 -5.065 35 H THR 4 H THR 4 9.187 -6.405 -4.382 36 HA THR 4 HA THR 4 6.661 -6.437 -5.617 37 HB THR 4 HB THR 4 8.418 -8.062 -6.300 38 HG1 THR 4 1HG THR 4 5.844 -9.099 -5.543 39 1HG2 THR 4 3HG2 THR 4 7.749 -9.456 -3.705 40 2HG2 THR 4 2HG2 THR 4 8.763 -10.127 -4.986 41 3HG2 THR 4 1HG2 THR 4 9.284 -8.684 -4.104 42 MG THR 4 QG2 THR 4 8.599 -9.422 -4.265 43 H LYS 5 H LYS 5 7.653 -7.274 -2.347 44 HA LYS 5 HA LYS 5 5.196 -8.567 -1.682 45 1HB LYS 5 2HB LYS 5 7.243 -7.284 0.136 46 2HB LYS 5 1HB LYS 5 5.914 -8.291 0.676 47 1HG LYS 5 2HG LYS 5 8.266 -9.136 -1.008 48 2HG LYS 5 1HG LYS 5 7.948 -9.571 0.669 49 1HD LYS 5 2HD LYS 5 6.316 -10.387 -1.747 50 2HD LYS 5 1HD LYS 5 7.387 -11.417 -0.813 51 1HE LYS 5 2HE LYS 5 5.929 -11.079 1.171 52 2HE LYS 5 1HE LYS 5 4.833 -10.129 0.172 53 1HZ LYS 5 3HZ LYS 5 4.585 -12.130 -1.262 54 2HZ LYS 5 2HZ LYS 5 5.503 -12.993 -0.122 55 3HZ LYS 5 1HZ LYS 5 4.022 -12.358 0.315 56 QB LYS 5 QB LYS 5 6.578 -7.787 0.406 57 QD LYS 5 QD LYS 5 6.852 -10.902 -1.280 58 QG LYS 5 QG LYS 5 8.107 -9.354 -0.170 59 QE LYS 5 QE LYS 5 5.381 -10.604 0.672 60 QZ LYS 5 QZ LYS 5 4.703 -12.494 -0.356 61 H LEU 6 H LEU 6 6.363 -5.345 -1.640 62 HA LEU 6 HA LEU 6 4.278 -4.184 -0.138 63 1HB LEU 6 2HB LEU 6 6.495 -3.163 -0.528 64 2HB LEU 6 1HB LEU 6 6.098 -3.025 -2.227 65 HG LEU 6 HG LEU 6 4.359 -1.381 -1.710 66 1HD1 LEU 6 1HD1 LEU 6 3.727 -2.196 0.513 67 2HD1 LEU 6 3HD1 LEU 6 5.285 -1.660 1.148 68 3HD1 LEU 6 2HD1 LEU 6 4.129 -0.483 0.527 69 1HD2 LEU 6 1HD2 LEU 6 6.670 -0.691 -2.162 70 2HD2 LEU 6 3HD2 LEU 6 5.841 0.411 -1.071 71 3HD2 LEU 6 2HD2 LEU 6 7.010 -0.743 -0.432 72 MD1 LEU 6 QD1 LEU 6 4.381 -1.447 0.729 73 MD2 LEU 6 QD2 LEU 6 6.507 -0.341 -1.222 74 QB LEU 6 QB LEU 6 6.296 -3.094 -1.378 75 QD LEU 6 QQD LEU 6 5.444 -0.894 -0.246 76 H ASN 7 H ASN 7 4.946 -4.425 -3.623 77 HA ASN 7 HA ASN 7 2.583 -3.157 -4.484 78 1HB ASN 7 2HB ASN 7 4.733 -3.598 -5.833 79 2HB ASN 7 1HB ASN 7 4.118 -5.218 -6.087 80 1HD2 ASN 7 1HD2 ASN 7 1.265 -4.159 -6.392 81 2HD2 ASN 7 2HD2 ASN 7 1.270 -3.460 -7.967 82 QB ASN 7 QB ASN 7 4.426 -4.408 -5.960 83 QD ASN 7 QD2 ASN 7 1.267 -3.809 -7.179 84 H ASP 8 H ASP 8 3.390 -6.558 -3.919 85 HA ASP 8 HA ASP 8 0.981 -7.654 -4.856 86 1HB ASP 8 2HB ASP 8 3.066 -8.700 -2.974 87 2HB ASP 8 1HB ASP 8 1.577 -9.595 -3.190 88 QB ASP 8 QB ASP 8 2.322 -9.147 -3.082 89 H ARG 9 H ARG 9 1.831 -6.427 -1.669 90 HA ARG 9 HA ARG 9 -0.585 -7.208 -0.402 91 1HB ARG 9 2HB ARG 9 1.328 -4.957 0.211 92 2HB ARG 9 1HB ARG 9 -0.091 -5.289 1.183 93 1HG ARG 9 2HG ARG 9 0.768 -7.486 1.734 94 2HG ARG 9 1HG ARG 9 2.174 -7.208 0.702 95 1HD ARG 9 2HD ARG 9 2.695 -6.801 3.063 96 2HD ARG 9 1HD ARG 9 2.848 -5.341 2.085 97 HE ARG 9 HE ARG 9 0.310 -5.726 3.419 98 1HH1 ARG 9 1HH1 ARG 9 3.496 -4.213 3.560 99 2HH1 ARG 9 2HH1 ARG 9 3.057 -3.026 4.689 100 1HH2 ARG 9 1HH2 ARG 9 -0.344 -4.059 4.887 101 2HH2 ARG 9 2HH2 ARG 9 0.791 -2.922 5.471 102 QB ARG 9 QB ARG 9 0.619 -5.123 0.697 103 QG ARG 9 QG ARG 9 1.471 -7.347 1.218 104 QD ARG 9 QD ARG 9 2.772 -6.071 2.574 105 QH1 ARG 9 QH1 ARG 9 3.277 -3.620 4.124 106 QH2 ARG 9 QH2 ARG 9 0.224 -3.491 5.179 107 H ILE 10 H ILE 10 0.367 -4.376 -2.203 108 HA ILE 10 HA ILE 10 -1.969 -2.872 -1.859 109 HB ILE 10 HB ILE 10 -0.052 -2.934 -4.211 110 1HG1 ILE 10 2HG1 ILE 10 -0.260 -1.048 -1.857 111 2HG1 ILE 10 1HG1 ILE 10 0.923 -2.336 -2.025 112 1HG2 ILE 10 3HG2 ILE 10 -2.216 -1.962 -4.903 113 2HG2 ILE 10 2HG2 ILE 10 -2.160 -0.856 -3.539 114 3HG2 ILE 10 1HG2 ILE 10 -0.964 -0.726 -4.827 115 1HD1 ILE 10 2HD1 ILE 10 0.653 0.027 -3.848 116 2HD1 ILE 10 1HD1 ILE 10 1.844 -0.149 -2.552 117 3HD1 ILE 10 3HD1 ILE 10 1.881 -1.231 -3.941 118 MG ILE 10 QG2 ILE 10 -1.780 -1.182 -4.423 119 MD ILE 10 QD1 ILE 10 1.459 -0.451 -3.447 120 QG ILE 10 QG1 ILE 10 0.331 -1.692 -1.941 121 H GLU 11 H GLU 11 -1.086 -5.253 -4.304 122 HA GLU 11 HA GLU 11 -3.419 -5.175 -5.849 123 1HB GLU 11 2HB GLU 11 -1.590 -7.488 -5.250 124 2HB GLU 11 1HB GLU 11 -2.798 -7.478 -6.528 125 1HG GLU 11 2HG GLU 11 -0.468 -5.589 -6.319 126 2HG GLU 11 1HG GLU 11 -0.530 -7.033 -7.325 127 QB GLU 11 QB GLU 11 -2.194 -7.483 -5.889 128 QG GLU 11 QG GLU 11 -0.499 -6.311 -6.822 129 H ALA 12 H ALA 12 -2.734 -6.915 -2.874 130 HA ALA 12 HA ALA 12 -5.179 -8.405 -2.870 131 1HB ALA 12 2HB ALA 12 -3.201 -9.158 -1.616 132 2HB ALA 12 3HB ALA 12 -4.601 -8.963 -0.561 133 3HB ALA 12 1HB ALA 12 -3.329 -7.742 -0.574 134 MB ALA 12 QB ALA 12 -3.710 -8.621 -0.917 135 H LYS 13 H LYS 13 -4.095 -5.371 -1.581 136 HA LYS 13 HA LYS 13 -6.358 -4.826 0.058 137 1HB LYS 13 2HB LYS 13 -3.878 -3.826 -0.048 138 2HB LYS 13 1HB LYS 13 -4.650 -2.654 -1.097 139 1HG LYS 13 2HG LYS 13 -5.407 -3.244 1.759 140 2HG LYS 13 1HG LYS 13 -4.473 -1.866 1.202 141 1HD LYS 13 2HD LYS 13 -6.403 -1.079 -0.081 142 2HD LYS 13 1HD LYS 13 -7.331 -2.478 0.463 143 1HE LYS 13 2HE LYS 13 -6.155 -0.344 2.230 144 2HE LYS 13 1HE LYS 13 -7.851 -0.493 1.779 145 1HZ LYS 13 3HZ LYS 13 -6.321 -2.562 3.218 146 2HZ LYS 13 2HZ LYS 13 -7.239 -1.449 4.010 147 3HZ LYS 13 1HZ LYS 13 -7.969 -2.598 2.942 148 QB LYS 13 QB LYS 13 -4.264 -3.240 -0.573 149 QD LYS 13 QD LYS 13 -6.867 -1.779 0.191 150 QG LYS 13 QG LYS 13 -4.940 -2.555 1.481 151 QE LYS 13 QE LYS 13 -7.003 -0.419 2.004 152 QZ LYS 13 QZ LYS 13 -7.176 -2.203 3.390 153 H LYS 14 H LYS 14 -5.380 -4.011 -3.215 154 HA LYS 14 HA LYS 14 -7.413 -2.254 -3.924 155 1HB LYS 14 2HB LYS 14 -5.737 -4.142 -5.562 156 2HB LYS 14 1HB LYS 14 -6.904 -3.048 -6.294 157 1HG LYS 14 2HG LYS 14 -5.717 -1.140 -5.612 158 2HG LYS 14 1HG LYS 14 -4.751 -2.058 -4.455 159 1HD LYS 14 2HD LYS 14 -3.468 -1.402 -6.433 160 2HD LYS 14 1HD LYS 14 -3.582 -3.153 -6.283 161 1HE LYS 14 2HE LYS 14 -5.388 -3.120 -7.938 162 2HE LYS 14 1HE LYS 14 -5.190 -1.367 -8.047 163 1HZ LYS 14 3HZ LYS 14 -2.977 -3.249 -8.570 164 2HZ LYS 14 2HZ LYS 14 -4.000 -2.683 -9.811 165 3HZ LYS 14 1HZ LYS 14 -3.051 -1.597 -8.919 166 QB LYS 14 QB LYS 14 -6.321 -3.595 -5.928 167 QD LYS 14 QD LYS 14 -3.525 -2.278 -6.358 168 QG LYS 14 QG LYS 14 -5.234 -1.599 -5.034 169 QE LYS 14 QE LYS 14 -5.289 -2.243 -7.993 170 QZ LYS 14 QZ LYS 14 -3.343 -2.510 -9.100 171 H LYS 15 H LYS 15 -7.279 -5.767 -4.483 172 HA LYS 15 HA LYS 15 -9.885 -5.923 -5.587 173 1HB LYS 15 2HB LYS 15 -8.284 -8.060 -4.184 174 2HB LYS 15 1HB LYS 15 -9.716 -8.363 -5.149 175 1HG LYS 15 2HG LYS 15 -7.135 -7.188 -6.168 176 2HG LYS 15 1HG LYS 15 -7.623 -8.872 -6.311 177 1HD LYS 15 2HD LYS 15 -9.082 -6.500 -7.516 178 2HD LYS 15 1HD LYS 15 -8.019 -7.592 -8.396 179 1HE LYS 15 2HE LYS 15 -9.549 -9.470 -7.819 180 2HE LYS 15 1HE LYS 15 -10.616 -8.302 -7.040 181 1HZ LYS 15 1HZ LYS 15 -10.870 -7.185 -9.182 182 2HZ LYS 15 3HZ LYS 15 -9.887 -8.324 -9.919 183 3HZ LYS 15 2HZ LYS 15 -11.377 -8.779 -9.287 184 QB LYS 15 QB LYS 15 -9.000 -8.211 -4.666 185 QD LYS 15 QD LYS 15 -8.550 -7.046 -7.956 186 QG LYS 15 QG LYS 15 -7.379 -8.030 -6.239 187 QE LYS 15 QE LYS 15 -10.083 -8.886 -7.430 188 QZ LYS 15 QZ LYS 15 -10.711 -8.096 -9.463 189 H GLU 16 H GLU 16 -8.705 -5.867 -2.394 190 HA GLU 16 HA GLU 16 -10.981 -6.845 -0.977 191 1HB GLU 16 2HB GLU 16 -8.852 -6.698 0.152 192 2HB GLU 16 1HB GLU 16 -8.741 -4.976 -0.179 193 1HG GLU 16 2HG GLU 16 -10.717 -4.620 1.248 194 2HG GLU 16 1HG GLU 16 -10.699 -6.334 1.649 195 QB GLU 16 QB GLU 16 -8.797 -5.837 -0.013 196 QG GLU 16 QG GLU 16 -10.708 -5.477 1.449 197 H LEU 17 H LEU 17 -9.774 -3.675 -1.844 198 HA LEU 17 HA LEU 17 -11.858 -2.195 -0.789 199 1HB LEU 17 2HB LEU 17 -9.568 -1.760 -2.412 200 2HB LEU 17 1HB LEU 17 -10.898 -0.800 -3.005 201 HG LEU 17 HG LEU 17 -9.681 -0.776 -0.219 202 1HD1 LEU 17 2HD1 LEU 17 -8.388 0.364 -1.916 203 2HD1 LEU 17 1HD1 LEU 17 -9.786 1.359 -2.327 204 3HD1 LEU 17 3HD1 LEU 17 -9.054 1.480 -0.722 205 1HD2 LEU 17 2HD2 LEU 17 -12.053 0.772 -1.261 206 2HD2 LEU 17 1HD2 LEU 17 -12.072 -0.415 0.038 207 3HD2 LEU 17 3HD2 LEU 17 -11.219 1.114 0.249 208 MD1 LEU 17 QD1 LEU 17 -9.076 1.067 -1.655 209 MD2 LEU 17 QD2 LEU 17 -11.782 0.490 -0.325 210 QB LEU 17 QB LEU 17 -10.233 -1.280 -2.708 211 QD LEU 17 QQD LEU 17 -10.429 0.779 -0.990 212 H ILE 18 H ILE 18 -11.423 -3.567 -3.982 213 HA ILE 18 HA ILE 18 -13.592 -2.477 -5.365 214 HB ILE 18 HB ILE 18 -12.777 -5.400 -5.483 215 1HG1 ILE 18 2HG1 ILE 18 -10.832 -3.916 -5.662 216 2HG1 ILE 18 1HG1 ILE 18 -11.120 -4.807 -7.164 217 1HG2 ILE 18 2HG2 ILE 18 -14.820 -4.890 -6.697 218 2HG2 ILE 18 1HG2 ILE 18 -13.988 -3.627 -7.595 219 3HG2 ILE 18 3HG2 ILE 18 -13.517 -5.314 -7.809 220 1HD1 ILE 18 3HD1 ILE 18 -12.091 -2.740 -8.091 221 2HD1 ILE 18 2HD1 ILE 18 -11.722 -1.927 -6.553 222 3HD1 ILE 18 1HD1 ILE 18 -10.415 -2.575 -7.552 223 MG ILE 18 QG2 ILE 18 -14.108 -4.610 -7.367 224 MD ILE 18 QD1 ILE 18 -11.409 -2.414 -7.398 225 QG ILE 18 QG1 ILE 18 -10.976 -4.362 -6.413 226 H TYR 19 H TYR 19 -13.457 -5.288 -3.306 227 HA TYR 19 HA TYR 19 -16.149 -6.091 -3.357 228 1HB TYR 19 2HB TYR 19 -14.278 -7.494 -2.683 229 2HB TYR 19 1HB TYR 19 -13.953 -6.449 -1.318 230 HD1 TYR 19 1HD TYR 19 -16.251 -8.968 -2.703 231 HD2 TYR 19 2HD TYR 19 -15.152 -6.719 0.731 232 HE1 TYR 19 1HE TYR 19 -17.593 -10.464 -1.298 233 HE2 TYR 19 2HE TYR 19 -16.500 -8.205 2.141 234 HH TYR 19 HH TYR 19 -18.379 -9.724 1.914 235 QB TYR 19 QB TYR 19 -14.116 -6.972 -2.000 236 QD TYR 19 QD TYR 19 -15.701 -7.844 -0.986 237 QE TYR 19 QE TYR 19 -17.047 -9.335 0.421 238 QR TYR 19 QR TYR 19 -16.374 -8.589 -0.282 239 H LEU 20 H LEU 20 -14.319 -4.128 -1.029 240 HA LEU 20 HA LEU 20 -16.478 -3.640 0.731 241 1HB LEU 20 2HB LEU 20 -13.909 -2.103 0.387 242 2HB LEU 20 1HB LEU 20 -15.023 -1.907 1.725 243 HG LEU 20 HG LEU 20 -13.516 -4.450 1.097 244 1HD1 LEU 20 3HD1 LEU 20 -12.023 -2.692 1.832 245 2HD1 LEU 20 2HD1 LEU 20 -13.048 -2.403 3.240 246 3HD1 LEU 20 1HD1 LEU 20 -12.200 -3.939 3.069 247 1HD2 LEU 20 3HD2 LEU 20 -15.226 -3.699 3.465 248 2HD2 LEU 20 2HD2 LEU 20 -15.644 -4.879 2.219 249 3HD2 LEU 20 1HD2 LEU 20 -14.289 -5.183 3.302 250 MD1 LEU 20 QD1 LEU 20 -12.424 -3.011 2.714 251 MD2 LEU 20 QD2 LEU 20 -15.053 -4.587 2.995 252 QB LEU 20 QB LEU 20 -14.466 -2.005 1.056 253 QD LEU 20 QQD LEU 20 -13.738 -3.799 2.854 254 H VAL 21 H VAL 21 -15.292 -1.843 -2.038 255 HA VAL 21 HA VAL 21 -16.818 0.493 -1.683 256 HB VAL 21 HB VAL 21 -15.777 -0.789 -4.247 257 1HG1 VAL 21 2HG1 VAL 21 -17.702 0.696 -4.710 258 2HG1 VAL 21 1HG1 VAL 21 -16.855 1.990 -3.861 259 3HG1 VAL 21 3HG1 VAL 21 -16.186 1.338 -5.355 260 1HG2 VAL 21 2HG2 VAL 21 -14.775 1.530 -2.604 261 2HG2 VAL 21 1HG2 VAL 21 -14.029 -0.058 -2.740 262 3HG2 VAL 21 3HG2 VAL 21 -14.095 1.004 -4.147 263 MG1 VAL 21 QG1 VAL 21 -16.914 1.341 -4.642 264 MG2 VAL 21 QG2 VAL 21 -14.300 0.825 -3.163 265 QG VAL 21 QQG VAL 21 -15.607 1.083 -3.903 266 H GLU 22 H GLU 22 -17.531 -2.524 -3.375 267 HA GLU 22 HA GLU 22 -20.095 -1.747 -4.282 268 1HB GLU 22 2HB GLU 22 -19.058 -4.527 -3.714 269 2HB GLU 22 1HB GLU 22 -20.465 -4.121 -4.684 270 1HG GLU 22 2HG GLU 22 -17.594 -3.493 -5.319 271 2HG GLU 22 1HG GLU 22 -18.614 -4.700 -6.100 272 QB GLU 22 QB GLU 22 -19.761 -4.324 -4.199 273 QG GLU 22 QG GLU 22 -18.104 -4.097 -5.709 274 H LYS 23 H LYS 23 -18.956 -3.571 -1.454 275 HA LYS 23 HA LYS 23 -21.412 -4.255 -0.408 276 1HB LYS 23 2HB LYS 23 -19.395 -5.414 0.080 277 2HB LYS 23 1HB LYS 23 -18.653 -3.961 0.709 278 1HG LYS 23 2HG LYS 23 -19.195 -5.419 2.431 279 2HG LYS 23 1HG LYS 23 -20.216 -3.985 2.567 280 1HD LYS 23 2HD LYS 23 -22.055 -5.248 1.508 281 2HD LYS 23 1HD LYS 23 -21.035 -6.688 1.480 282 1HE LYS 23 2HE LYS 23 -21.967 -5.187 3.933 283 2HE LYS 23 1HE LYS 23 -22.568 -6.743 3.372 284 1HZ LYS 23 1HZ LYS 23 -20.253 -7.614 3.732 285 2HZ LYS 23 3HZ LYS 23 -19.861 -6.167 4.528 286 3HZ LYS 23 2HZ LYS 23 -21.077 -7.166 5.098 287 QB LYS 23 QB LYS 23 -19.024 -4.688 0.395 288 QD LYS 23 QD LYS 23 -21.545 -5.968 1.494 289 QG LYS 23 QG LYS 23 -19.706 -4.702 2.499 290 QE LYS 23 QE LYS 23 -22.268 -5.965 3.653 291 QZ LYS 23 QZ LYS 23 -20.397 -6.983 4.453 292 H TYR 24 H TYR 24 -19.256 -1.474 0.418 293 HA TYR 24 HA TYR 24 -21.416 -0.631 2.187 294 1HB TYR 24 2HB TYR 24 -18.490 0.056 2.385 295 2HB TYR 24 1HB TYR 24 -19.743 0.682 3.465 296 HD1 TYR 24 1HD TYR 24 -21.282 -1.181 4.528 297 HD2 TYR 24 2HD TYR 24 -17.355 -1.860 3.042 298 HE1 TYR 24 1HE TYR 24 -21.149 -3.240 5.853 299 HE2 TYR 24 2HE TYR 24 -17.209 -3.921 4.374 300 HH TYR 24 HH TYR 24 -18.269 -4.914 6.353 301 QB TYR 24 QB TYR 24 -19.116 0.369 2.925 302 QD TYR 24 QD TYR 24 -19.319 -1.520 3.785 303 QE TYR 24 QE TYR 24 -19.179 -3.581 5.114 304 QR TYR 24 QR TYR 24 -19.249 -2.550 4.449 305 H GLY 25 H GLY 25 -20.520 0.117 -0.788 306 1HA GLY 25 1HA GLY 25 -22.210 2.448 -0.588 307 2HA GLY 25 2HA GLY 25 -21.632 1.704 -2.070 308 QA GLY 25 QA GLY 25 -21.921 2.076 -1.329 309 H PHE 26 H PHE 26 -18.941 1.996 -0.575 310 HA PHE 26 HA PHE 26 -17.115 3.199 -0.831 311 1HB PHE 26 2HB PHE 26 -17.781 3.468 -3.215 312 2HB PHE 26 1HB PHE 26 -18.613 4.941 -2.782 313 HD1 PHE 26 1HD PHE 26 -15.234 3.462 -2.311 314 HD2 PHE 26 2HD PHE 26 -17.529 6.922 -3.210 315 HE1 PHE 26 1HE PHE 26 -13.156 4.746 -2.633 316 HE2 PHE 26 2HE PHE 26 -15.458 8.217 -3.535 317 HZ PHE 26 HZ PHE 26 -13.270 7.128 -3.246 318 QB PHE 26 QB PHE 26 -18.197 4.204 -2.998 319 QD PHE 26 QD PHE 26 -16.381 5.192 -2.760 320 QE PHE 26 QE PHE 26 -14.307 6.482 -3.084 321 QR PHE 26 QR PHE 26 -14.929 6.095 -2.987 322 H THR 27 H THR 27 -19.905 5.357 -0.543 323 HA THR 27 HA THR 27 -18.457 7.534 0.480 324 HB THR 27 HB THR 27 -20.788 8.372 1.092 325 HG1 THR 27 1HG THR 27 -22.352 7.055 -0.218 326 1HG2 THR 27 1HG2 THR 27 -19.627 8.957 -0.991 327 2HG2 THR 27 3HG2 THR 27 -20.230 7.481 -1.744 328 3HG2 THR 27 2HG2 THR 27 -21.356 8.749 -1.263 329 MG THR 27 QG2 THR 27 -20.404 8.395 -1.332 330 H HIS 28 H HIS 28 -19.439 4.701 1.985 331 HA HIS 28 HA HIS 28 -19.751 5.598 4.644 332 1HB HIS 28 2HB HIS 28 -20.394 3.321 3.914 333 2HB HIS 28 1HB HIS 28 -18.718 2.952 3.558 334 HD1 HIS 28 1HD HIS 28 -21.045 3.500 6.533 335 HD2 HIS 28 2HD HIS 28 -17.251 2.053 5.644 336 HE1 HIS 28 1HE HIS 28 -20.192 2.417 8.635 337 QB HIS 28 QB HIS 28 -19.556 3.136 3.736 338 H HIS 29 H HIS 29 -18.251 6.356 6.033 339 HA HIS 29 HA HIS 29 -15.884 7.340 4.988 340 1HB HIS 29 2HB HIS 29 -17.102 8.384 6.863 341 2HB HIS 29 1HB HIS 29 -16.560 7.096 7.926 342 HD1 HIS 29 1HD HIS 29 -14.630 7.833 9.337 343 HD2 HIS 29 2HD HIS 29 -14.641 9.665 5.610 344 HE1 HIS 29 1HE HIS 29 -12.681 9.405 9.328 345 QB HIS 29 QB HIS 29 -16.831 7.740 7.395 346 H LYS 30 H LYS 30 -16.306 4.326 6.759 347 HA LYS 30 HA LYS 30 -13.540 3.945 7.137 348 1HB LYS 30 2HB LYS 30 -15.752 1.901 7.012 349 2HB LYS 30 1HB LYS 30 -14.076 1.485 7.323 350 1HG LYS 30 2HG LYS 30 -15.807 3.271 9.008 351 2HG LYS 30 1HG LYS 30 -15.325 1.615 9.387 352 1HD LYS 30 2HD LYS 30 -12.938 2.373 9.343 353 2HD LYS 30 1HD LYS 30 -13.515 4.023 9.133 354 1HE LYS 30 2HE LYS 30 -13.005 3.662 11.455 355 2HE LYS 30 1HE LYS 30 -14.748 3.828 11.267 356 1HZ LYS 30 1HZ LYS 30 -13.281 1.272 11.527 357 2HZ LYS 30 3HZ LYS 30 -14.161 2.023 12.749 358 3HZ LYS 30 2HZ LYS 30 -14.949 1.424 11.380 359 QB LYS 30 QB LYS 30 -14.914 1.693 7.167 360 QD LYS 30 QD LYS 30 -13.226 3.198 9.238 361 QG LYS 30 QG LYS 30 -15.566 2.443 9.197 362 QE LYS 30 QE LYS 30 -13.877 3.745 11.361 363 QZ LYS 30 QZ LYS 30 -14.131 1.573 11.885 364 H VAL 31 H VAL 31 -15.552 3.375 4.352 365 HA VAL 31 HA VAL 31 -13.618 1.806 2.956 366 HB VAL 31 HB VAL 31 -15.803 3.550 1.752 367 1HG1 VAL 31 3HG1 VAL 31 -14.264 1.225 0.612 368 2HG1 VAL 31 2HG1 VAL 31 -15.646 1.977 -0.169 369 3HG1 VAL 31 1HG1 VAL 31 -14.162 2.906 0.099 370 1HG2 VAL 31 2HG2 VAL 31 -16.758 1.944 3.322 371 2HG2 VAL 31 1HG2 VAL 31 -17.165 1.518 1.657 372 3HG2 VAL 31 3HG2 VAL 31 -15.904 0.630 2.513 373 MG1 VAL 31 QG1 VAL 31 -14.690 2.036 0.181 374 MG2 VAL 31 QG2 VAL 31 -16.609 1.364 2.497 375 QG VAL 31 QQG VAL 31 -15.650 1.700 1.339 376 H ILE 32 H ILE 32 -14.387 5.200 3.189 377 HA ILE 32 HA ILE 32 -12.475 6.202 1.378 378 HB ILE 32 HB ILE 32 -13.531 7.523 3.909 379 1HG1 ILE 32 2HG1 ILE 32 -14.575 7.675 1.065 380 2HG1 ILE 32 1HG1 ILE 32 -15.331 6.787 2.381 381 1HG2 ILE 32 2HG2 ILE 32 -11.548 8.655 3.042 382 2HG2 ILE 32 1HG2 ILE 32 -12.287 8.752 1.442 383 3HG2 ILE 32 3HG2 ILE 32 -12.985 9.647 2.793 384 1HD1 ILE 32 1HD1 ILE 32 -14.956 9.772 2.252 385 2HD1 ILE 32 3HD1 ILE 32 -16.458 8.895 1.960 386 3HD1 ILE 32 2HD1 ILE 32 -15.731 8.891 3.566 387 MG ILE 32 QG2 ILE 32 -12.273 9.018 2.425 388 MD ILE 32 QD1 ILE 32 -15.715 9.186 2.593 389 QG ILE 32 QG1 ILE 32 -14.953 7.231 1.723 390 H SER 33 H SER 33 -12.315 5.340 4.782 391 HA SER 33 HA SER 33 -9.703 6.216 5.317 392 1HB SER 33 2HB SER 33 -11.416 5.589 7.039 393 2HB SER 33 1HB SER 33 -11.203 3.905 6.584 394 HG SER 33 HG SER 33 -9.725 5.501 8.168 395 QB SER 33 QB SER 33 -11.309 4.747 6.812 396 H PHE 34 H PHE 34 -10.981 3.064 4.232 397 HA PHE 34 HA PHE 34 -8.499 1.727 4.143 398 1HB PHE 34 2HB PHE 34 -10.918 1.154 2.410 399 2HB PHE 34 1HB PHE 34 -9.596 0.048 2.736 400 HD1 PHE 34 1HD PHE 34 -12.711 -0.085 3.175 401 HD2 PHE 34 2HD PHE 34 -9.378 0.557 5.737 402 HE1 PHE 34 1HE PHE 34 -14.004 -0.956 5.055 403 HE2 PHE 34 2HE PHE 34 -10.672 -0.318 7.641 404 HZ PHE 34 HZ PHE 34 -12.990 -1.077 7.306 405 QB PHE 34 QB PHE 34 -10.257 0.601 2.573 406 QD PHE 34 QD PHE 34 -11.044 0.236 4.456 407 QE PHE 34 QE PHE 34 -12.338 -0.637 6.348 408 QR PHE 34 QR PHE 34 -11.951 -0.376 5.783 409 H SER 35 H SER 35 -10.152 3.754 1.843 410 HA SER 35 HA SER 35 -8.492 3.287 -0.391 411 1HB SER 35 2HB SER 35 -10.042 5.784 0.343 412 2HB SER 35 1HB SER 35 -9.436 5.377 -1.264 413 HG SER 35 HG SER 35 -11.440 3.988 0.225 414 QB SER 35 QB SER 35 -9.739 5.581 -0.461 415 H GLN 36 H GLN 36 -8.292 5.573 2.264 416 HA GLN 36 HA GLN 36 -5.966 6.880 1.274 417 1HB GLN 36 2HB GLN 36 -7.165 6.796 4.042 418 2HB GLN 36 1HB GLN 36 -5.846 7.854 3.561 419 1HG GLN 36 2HG GLN 36 -7.268 8.966 1.963 420 2HG GLN 36 1HG GLN 36 -8.585 7.850 2.321 421 1HE2 GLN 36 1HE2 GLN 36 -9.713 8.080 4.192 422 2HE2 GLN 36 2HE2 GLN 36 -9.620 9.486 5.192 423 QB GLN 36 QB GLN 36 -6.506 7.325 3.802 424 QG GLN 36 QG GLN 36 -7.927 8.408 2.142 425 QE GLN 36 QE2 GLN 36 -9.666 8.783 4.692 426 H GLU 37 H GLU 37 -6.588 4.150 3.299 427 HA GLU 37 HA GLU 37 -3.990 3.734 4.321 428 1HB GLU 37 2HB GLU 37 -6.002 2.675 5.258 429 2HB GLU 37 1HB GLU 37 -6.231 1.776 3.772 430 1HG GLU 37 2HG GLU 37 -4.209 0.517 4.184 431 2HG GLU 37 1HG GLU 37 -3.887 1.472 5.632 432 QB GLU 37 QB GLU 37 -6.116 2.226 4.515 433 QG GLU 37 QG GLU 37 -4.048 0.994 4.908 434 H LEU 38 H LEU 38 -5.658 2.520 1.439 435 HA LEU 38 HA LEU 38 -3.545 0.933 0.429 436 1HB LEU 38 2HB LEU 38 -5.970 0.883 -0.316 437 2HB LEU 38 1HB LEU 38 -5.685 2.379 -1.156 438 HG LEU 38 HG LEU 38 -4.184 -0.162 -1.858 439 1HD1 LEU 38 1HD1 LEU 38 -6.723 0.932 -3.028 440 2HD1 LEU 38 3HD1 LEU 38 -5.780 -0.396 -3.692 441 3HD1 LEU 38 2HD1 LEU 38 -6.551 -0.580 -2.121 442 1HD2 LEU 38 1HD2 LEU 38 -3.194 1.936 -2.697 443 2HD2 LEU 38 3HD2 LEU 38 -3.829 0.945 -4.010 444 3HD2 LEU 38 2HD2 LEU 38 -4.734 2.353 -3.453 445 MD1 LEU 38 QD1 LEU 38 -6.351 -0.015 -2.947 446 MD2 LEU 38 QD2 LEU 38 -3.919 1.745 -3.387 447 QB LEU 38 QB LEU 38 -5.828 1.631 -0.736 448 QD LEU 38 QQD LEU 38 -5.135 0.865 -3.167 449 H ASP 39 H ASP 39 -4.514 4.272 -0.097 450 HA ASP 39 HA ASP 39 -2.628 5.050 -1.962 451 1HB ASP 39 2HB ASP 39 -4.482 6.481 -1.383 452 2HB ASP 39 1HB ASP 39 -3.886 6.656 0.263 453 QB ASP 39 QB ASP 39 -4.184 6.569 -0.560 454 H ARG 40 H ARG 40 -2.291 4.768 1.517 455 HA ARG 40 HA ARG 40 0.236 6.026 1.784 456 1HB ARG 40 2HB ARG 40 -0.969 3.800 3.438 457 2HB ARG 40 1HB ARG 40 0.456 4.719 3.894 458 1HG ARG 40 2HG ARG 40 -0.865 6.745 4.030 459 2HG ARG 40 1HG ARG 40 -2.292 5.868 3.476 460 1HD ARG 40 2HD ARG 40 -2.139 4.424 5.472 461 2HD ARG 40 1HD ARG 40 -0.766 5.382 6.027 462 HE ARG 40 HE ARG 40 -2.700 7.220 5.606 463 1HH1 ARG 40 1HH1 ARG 40 -2.565 4.263 7.614 464 2HH1 ARG 40 2HH1 ARG 40 -3.674 4.863 8.743 465 1HH2 ARG 40 1HH2 ARG 40 -4.238 7.983 7.211 466 2HH2 ARG 40 2HH2 ARG 40 -4.638 6.974 8.518 467 QB ARG 40 QB ARG 40 -0.256 4.259 3.666 468 QG ARG 40 QG ARG 40 -1.578 6.307 3.753 469 QD ARG 40 QD ARG 40 -1.452 4.903 5.750 470 QH1 ARG 40 QH1 ARG 40 -3.119 4.563 8.179 471 QH2 ARG 40 QH2 ARG 40 -4.438 7.478 7.864 472 H LEU 41 H LEU 41 -0.677 2.659 1.235 473 HA LEU 41 HA LEU 41 1.976 1.617 1.179 474 1HB LEU 41 2HB LEU 41 -0.561 0.522 -0.036 475 2HB LEU 41 1HB LEU 41 0.925 -0.378 0.180 476 HG LEU 41 HG LEU 41 -0.815 0.702 2.402 477 1HD1 LEU 41 2HD1 LEU 41 -1.872 -1.128 1.203 478 2HD1 LEU 41 1HD1 LEU 41 -0.419 -2.109 1.403 479 3HD1 LEU 41 3HD1 LEU 41 -1.372 -1.637 2.812 480 1HD2 LEU 41 2HD2 LEU 41 1.638 -1.062 2.497 481 2HD2 LEU 41 1HD2 LEU 41 1.545 0.610 3.049 482 3HD2 LEU 41 3HD2 LEU 41 0.620 -0.643 3.876 483 MD1 LEU 41 QD1 LEU 41 -1.221 -1.625 1.806 484 MD2 LEU 41 QD2 LEU 41 1.268 -0.365 3.141 485 QB LEU 41 QB LEU 41 0.182 0.072 0.072 486 QD LEU 41 QQD LEU 41 0.023 -0.995 2.473 487 H LEU 42 H LEU 42 -0.303 2.667 -1.255 488 HA LEU 42 HA LEU 42 1.128 2.059 -3.591 489 1HB LEU 42 2HB LEU 42 -1.199 2.645 -3.605 490 2HB LEU 42 1HB LEU 42 -0.846 4.240 -2.973 491 HG LEU 42 HG LEU 42 0.402 4.688 -5.107 492 1HD1 LEU 42 1HD1 LEU 42 -0.969 2.161 -5.999 493 2HD1 LEU 42 3HD1 LEU 42 -0.147 3.314 -7.049 494 3HD1 LEU 42 2HD1 LEU 42 0.768 2.412 -5.843 495 1HD2 LEU 42 3HD2 LEU 42 -2.550 4.118 -5.258 496 2HD2 LEU 42 2HD2 LEU 42 -1.777 5.594 -4.670 497 3HD2 LEU 42 1HD2 LEU 42 -1.633 5.143 -6.365 498 MD1 LEU 42 QD1 LEU 42 -0.116 2.629 -6.297 499 MD2 LEU 42 QD2 LEU 42 -1.987 4.952 -5.431 500 QB LEU 42 QB LEU 42 -1.023 3.442 -3.289 501 QD LEU 42 QQD LEU 42 -1.051 3.790 -5.864 502 H ASN 43 H ASN 43 1.096 4.902 -1.532 503 HA ASN 43 HA ASN 43 2.729 6.551 -3.092 504 1HB ASN 43 2HB ASN 43 1.267 7.262 -1.159 505 2HB ASN 43 1HB ASN 43 2.499 6.620 -0.081 506 1HD2 ASN 43 1HD2 ASN 43 1.681 9.083 -2.339 507 2HD2 ASN 43 2HD2 ASN 43 2.986 10.154 -1.976 508 QB ASN 43 QB ASN 43 1.883 6.941 -0.620 509 QD ASN 43 QD2 ASN 43 2.334 9.618 -2.158 510 H LEU 44 H LEU 44 3.454 3.933 -0.964 511 HA LEU 44 HA LEU 44 6.188 4.577 -0.612 512 1HB LEU 44 2HB LEU 44 4.733 1.952 -0.378 513 2HB LEU 44 1HB LEU 44 6.419 2.173 0.066 514 HG LEU 44 HG LEU 44 4.056 3.535 1.366 515 1HD1 LEU 44 2HD1 LEU 44 5.816 1.285 2.321 516 2HD1 LEU 44 1HD1 LEU 44 4.579 2.103 3.281 517 3HD1 LEU 44 3HD1 LEU 44 4.119 1.164 1.859 518 1HD2 LEU 44 1HD2 LEU 44 6.990 3.547 2.084 519 2HD2 LEU 44 3HD2 LEU 44 6.071 4.914 1.450 520 3HD2 LEU 44 2HD2 LEU 44 5.693 4.259 3.041 521 MD1 LEU 44 QD1 LEU 44 4.838 1.518 2.487 522 MD2 LEU 44 QD2 LEU 44 6.251 4.240 2.192 523 QB LEU 44 QB LEU 44 5.576 2.062 -0.156 524 QD LEU 44 QQD LEU 44 5.545 2.879 2.339 525 H LEU 45 H LEU 45 4.421 2.752 -3.071 526 HA LEU 45 HA LEU 45 6.757 1.859 -4.458 527 1HB LEU 45 2HB LEU 45 3.972 2.382 -5.503 528 2HB LEU 45 1HB LEU 45 5.258 1.690 -6.464 529 HG LEU 45 HG LEU 45 3.970 0.419 -4.048 530 1HD1 LEU 45 2HD1 LEU 45 3.805 -0.172 -7.002 531 2HD1 LEU 45 1HD1 LEU 45 3.118 -1.174 -5.723 532 3HD1 LEU 45 3HD1 LEU 45 2.516 0.462 -5.978 533 1HD2 LEU 45 3HD2 LEU 45 6.090 -0.633 -5.933 534 2HD2 LEU 45 2HD2 LEU 45 6.338 -0.205 -4.239 535 3HD2 LEU 45 1HD2 LEU 45 5.291 -1.559 -4.661 536 MD1 LEU 45 QD1 LEU 45 3.147 -0.295 -6.234 537 MD2 LEU 45 QD2 LEU 45 5.906 -0.799 -4.944 538 QB LEU 45 QB LEU 45 4.615 2.036 -5.984 539 QD LEU 45 QQD LEU 45 4.527 -0.547 -5.589 540 H ILE 46 H ILE 46 4.775 4.715 -4.582 541 HA ILE 46 HA ILE 46 5.998 6.011 -6.758 542 HB ILE 46 HB ILE 46 4.634 7.185 -4.307 543 1HG1 ILE 46 2HG1 ILE 46 3.538 6.546 -7.055 544 2HG1 ILE 46 1HG1 ILE 46 3.207 5.644 -5.580 545 1HG2 ILE 46 1HG2 ILE 46 5.233 8.466 -6.966 546 2HG2 ILE 46 3HG2 ILE 46 4.262 9.184 -5.682 547 3HG2 ILE 46 2HG2 ILE 46 5.982 8.871 -5.421 548 1HD1 ILE 46 2HD1 ILE 46 2.080 7.627 -4.659 549 2HD1 ILE 46 1HD1 ILE 46 2.400 8.489 -6.158 550 3HD1 ILE 46 3HD1 ILE 46 1.346 7.076 -6.164 551 MG ILE 46 QG2 ILE 46 5.159 8.840 -6.023 552 MD ILE 46 QD1 ILE 46 1.942 7.731 -5.660 553 QG ILE 46 QG1 ILE 46 3.373 6.095 -6.318 554 H GLU 47 H GLU 47 6.619 5.996 -3.312 555 HA GLU 47 HA GLU 47 8.686 7.805 -3.067 556 1HB GLU 47 2HB GLU 47 7.462 6.597 -1.228 557 2HB GLU 47 1HB GLU 47 8.433 5.182 -1.591 558 1HG GLU 47 2HG GLU 47 9.434 6.218 0.261 559 2HG GLU 47 1HG GLU 47 10.450 6.596 -1.134 560 QB GLU 47 QB GLU 47 7.947 5.890 -1.409 561 QG GLU 47 QG GLU 47 9.942 6.407 -0.437 562 H LEU 48 H LEU 48 8.893 4.292 -3.665 563 HA LEU 48 HA LEU 48 11.683 4.217 -3.909 564 1HB LEU 48 2HB LEU 48 9.536 2.323 -4.740 565 2HB LEU 48 1HB LEU 48 11.150 2.069 -5.357 566 HG LEU 48 HG LEU 48 10.781 0.655 -3.441 567 1HD1 LEU 48 3HD1 LEU 48 13.005 1.503 -3.775 568 2HD1 LEU 48 2HD1 LEU 48 12.655 2.884 -2.730 569 3HD1 LEU 48 1HD1 LEU 48 12.661 1.256 -2.064 570 1HD2 LEU 48 1HD2 LEU 48 9.071 1.948 -2.265 571 2HD2 LEU 48 3HD2 LEU 48 10.408 1.537 -1.191 572 3HD2 LEU 48 2HD2 LEU 48 10.275 3.168 -1.848 573 MD1 LEU 48 QD1 LEU 48 12.774 1.881 -2.856 574 MD2 LEU 48 QD2 LEU 48 9.918 2.218 -1.768 575 QB LEU 48 QB LEU 48 10.343 2.196 -5.048 576 QD LEU 48 QQD LEU 48 11.346 2.049 -2.312 577 H LYS 49 H LYS 49 9.285 4.886 -6.331 578 HA LYS 49 HA LYS 49 11.040 4.859 -8.568 579 1HB LYS 49 2HB LYS 49 8.472 6.381 -8.087 580 2HB LYS 49 1HB LYS 49 9.289 6.289 -9.640 581 1HG LYS 49 2HG LYS 49 8.922 3.918 -9.754 582 2HG LYS 49 1HG LYS 49 8.254 3.908 -8.121 583 1HD LYS 49 2HD LYS 49 6.379 5.244 -8.829 584 2HD LYS 49 1HD LYS 49 7.081 5.440 -10.433 585 1HE LYS 49 2HE LYS 49 5.293 3.753 -10.412 586 2HE LYS 49 1HE LYS 49 6.850 3.068 -10.858 587 1HZ LYS 49 1HZ LYS 49 5.661 2.919 -8.152 588 2HZ LYS 49 3HZ LYS 49 5.591 1.697 -9.316 589 3HZ LYS 49 2HZ LYS 49 7.088 2.133 -8.711 590 QB LYS 49 QB LYS 49 8.880 6.335 -8.863 591 QD LYS 49 QD LYS 49 6.730 5.342 -9.631 592 QG LYS 49 QG LYS 49 8.588 3.913 -8.938 593 QE LYS 49 QE LYS 49 6.071 3.411 -10.635 594 QZ LYS 49 QZ LYS 49 6.113 2.250 -8.727 595 H THR 50 H THR 50 10.087 7.273 -6.252 596 HA THR 50 HA THR 50 11.445 9.454 -7.457 597 HB THR 50 HB THR 50 10.492 9.175 -4.590 598 HG1 THR 50 1HG THR 50 8.758 8.732 -5.963 599 1HG2 THR 50 2HG2 THR 50 10.838 11.594 -6.380 600 2HG2 THR 50 1HG2 THR 50 10.224 11.618 -4.728 601 3HG2 THR 50 3HG2 THR 50 11.898 11.157 -5.041 602 MG THR 50 QG2 THR 50 10.987 11.456 -5.383 603 H LYS 51 H LYS 51 12.402 6.839 -5.450 604 HA LYS 51 HA LYS 51 14.732 8.020 -4.289 605 1HB LYS 51 2HB LYS 51 14.001 5.115 -4.640 606 2HB LYS 51 1HB LYS 51 15.436 5.672 -3.794 607 1HG LYS 51 2HG LYS 51 12.566 6.185 -3.019 608 2HG LYS 51 1HG LYS 51 13.721 5.143 -2.190 609 1HD LYS 51 2HD LYS 51 15.129 7.118 -1.722 610 2HD LYS 51 1HD LYS 51 13.931 8.136 -2.518 611 1HE LYS 51 2HE LYS 51 12.263 7.405 -0.861 612 2HE LYS 51 1HE LYS 51 13.528 6.506 -0.022 613 1HZ LYS 51 2HZ LYS 51 13.506 9.414 -0.530 614 2HZ LYS 51 1HZ LYS 51 13.152 8.697 0.953 615 3HZ LYS 51 3HZ LYS 51 14.719 8.588 0.306 616 QB LYS 51 QB LYS 51 14.718 5.394 -4.217 617 QD LYS 51 QD LYS 51 14.530 7.627 -2.120 618 QG LYS 51 QG LYS 51 13.144 5.664 -2.605 619 QE LYS 51 QE LYS 51 12.895 6.956 -0.442 620 QZ LYS 51 QZ LYS 51 13.792 8.900 0.243 621 H LYS 52 H LYS 52 14.059 6.918 -7.367 622 HA LYS 52 HA LYS 52 15.186 6.760 -9.316 623 1HB LYS 52 2HB LYS 52 16.885 8.481 -9.788 624 2HB LYS 52 1HB LYS 52 15.477 9.139 -8.971 625 1HG LYS 52 2HG LYS 52 16.742 9.165 -6.875 626 2HG LYS 52 1HG LYS 52 18.144 8.514 -7.714 627 1HD LYS 52 2HD LYS 52 18.201 10.505 -9.134 628 2HD LYS 52 1HD LYS 52 16.789 11.148 -8.292 629 1HE LYS 52 2HE LYS 52 18.039 11.171 -6.197 630 2HE LYS 52 1HE LYS 52 19.447 10.505 -7.012 631 1HZ LYS 52 2HZ LYS 52 19.443 12.502 -8.424 632 2HZ LYS 52 1HZ LYS 52 18.200 13.149 -7.502 633 3HZ LYS 52 3HZ LYS 52 19.709 12.853 -6.797 634 QB LYS 52 QB LYS 52 16.181 8.810 -9.379 635 QD LYS 52 QD LYS 52 17.495 10.826 -8.713 636 QG LYS 52 QG LYS 52 17.443 8.840 -7.294 637 QE LYS 52 QE LYS 52 18.743 10.838 -6.604 638 QZ LYS 52 QZ LYS 52 19.117 12.835 -7.575 639 H LYS 53 H LYS 53 16.578 5.353 -6.828 640 HA LYS 53 HA LYS 53 19.197 4.881 -7.858 641 1HB LYS 53 2HB LYS 53 19.432 3.328 -5.953 642 2HB LYS 53 1HB LYS 53 18.925 4.953 -5.517 643 1HG LYS 53 2HG LYS 53 16.642 4.208 -5.207 644 2HG LYS 53 1HG LYS 53 17.080 2.568 -5.712 645 1HD LYS 53 2HD LYS 53 18.198 4.029 -3.311 646 2HD LYS 53 1HD LYS 53 16.907 2.836 -3.244 647 1HE LYS 53 2HE LYS 53 19.693 2.280 -4.280 648 2HE LYS 53 1HE LYS 53 19.167 1.941 -2.628 649 1HZ LYS 53 3HZ LYS 53 17.518 0.387 -3.600 650 2HZ LYS 53 2HZ LYS 53 18.167 0.673 -5.137 651 3HZ LYS 53 1HZ LYS 53 19.097 -0.016 -3.954 652 QB LYS 53 QB LYS 53 19.178 4.141 -5.735 653 QD LYS 53 QD LYS 53 17.552 3.432 -3.278 654 QG LYS 53 QG LYS 53 16.861 3.388 -5.459 655 QE LYS 53 QE LYS 53 19.430 2.110 -3.454 656 QZ LYS 53 QZ LYS 53 18.261 0.348 -4.230 657 H ARG 54 H ARG 54 16.188 3.332 -8.235 658 HA ARG 54 HA ARG 54 17.521 0.977 -9.295 659 1HB ARG 54 2HB ARG 54 14.659 1.462 -8.527 660 2HB ARG 54 1HB ARG 54 15.134 0.072 -9.490 661 1HG ARG 54 2HG ARG 54 16.647 -0.634 -7.696 662 2HG ARG 54 1HG ARG 54 16.118 0.742 -6.729 663 1HD ARG 54 2HD ARG 54 15.002 -1.362 -6.143 664 2HD ARG 54 1HD ARG 54 13.867 -0.105 -6.659 665 HE ARG 54 HE ARG 54 14.184 -1.416 -8.925 666 1HH1 ARG 54 1HH1 ARG 54 13.913 -2.838 -5.682 667 2HH1 ARG 54 2HH1 ARG 54 13.058 -4.201 -6.226 668 1HH2 ARG 54 1HH2 ARG 54 12.962 -3.250 -9.630 669 2HH2 ARG 54 2HH2 ARG 54 12.453 -4.426 -8.514 670 QB ARG 54 QB ARG 54 14.897 0.767 -9.009 671 QG ARG 54 QG ARG 54 16.382 0.054 -7.213 672 QD ARG 54 QD ARG 54 14.434 -0.733 -6.401 673 QH1 ARG 54 QH1 ARG 54 13.485 -3.519 -5.954 674 QH2 ARG 54 QH2 ARG 54 12.708 -3.838 -9.072 675 H TYR 55 H TYR 55 15.926 0.064 -11.271 676 HA TYR 55 HA TYR 55 16.474 1.965 -13.375 677 1HB TYR 55 2HB TYR 55 15.509 -0.904 -13.454 678 2HB TYR 55 1HB TYR 55 15.876 0.064 -14.877 679 HD1 TYR 55 1HD TYR 55 18.091 0.234 -15.671 680 HD2 TYR 55 2HD TYR 55 17.366 -1.341 -11.801 681 HE1 TYR 55 1HE TYR 55 20.455 -0.432 -15.504 682 HE2 TYR 55 2HE TYR 55 19.718 -2.021 -11.624 683 HH TYR 55 HH TYR 55 22.093 -0.972 -13.867 684 QB TYR 55 QB TYR 55 15.693 -0.420 -14.165 685 QD TYR 55 QD TYR 55 17.729 -0.554 -13.736 686 QE TYR 55 QE TYR 55 20.086 -1.226 -13.564 687 QR TYR 55 QR TYR 55 18.908 -0.890 -13.650 688 H SER 56 H SER 56 14.240 2.342 -11.511 689 HA SER 56 HA SER 56 11.834 1.776 -12.964 690 1HB SER 56 2HB SER 56 11.885 1.643 -10.499 691 2HB SER 56 1HB SER 56 12.185 3.378 -10.420 692 HG SER 56 HG SER 56 10.190 3.580 -11.645 693 QB SER 56 QB SER 56 12.035 2.510 -10.460 694 H LEU 57 H LEU 57 14.126 4.164 -13.373 695 HA LEU 57 HA LEU 57 12.181 6.220 -14.059 696 1HB LEU 57 2HB LEU 57 15.180 6.265 -14.461 697 2HB LEU 57 1HB LEU 57 14.084 7.605 -14.637 698 HG LEU 57 HG LEU 57 14.719 6.220 -12.035 699 1HD1 LEU 57 2HD1 LEU 57 15.534 8.896 -13.138 700 2HD1 LEU 57 1HD1 LEU 57 15.821 8.342 -11.489 701 3HD1 LEU 57 3HD1 LEU 57 16.584 7.511 -12.844 702 1HD2 LEU 57 1HD2 LEU 57 12.429 7.087 -12.083 703 2HD2 LEU 57 3HD2 LEU 57 13.455 8.027 -11.002 704 3HD2 LEU 57 2HD2 LEU 57 13.035 8.666 -12.593 705 MD1 LEU 57 QD1 LEU 57 15.980 8.250 -12.490 706 MD2 LEU 57 QD2 LEU 57 12.973 7.927 -11.893 707 QB LEU 57 QB LEU 57 14.632 6.935 -14.549 708 QD LEU 57 QQD LEU 57 14.476 8.088 -12.191 709 H LEU 58 H LEU 58 13.490 3.514 -15.416 710 HA LEU 58 HA LEU 58 13.449 4.451 -18.153 711 1HB LEU 58 2HB LEU 58 13.587 1.629 -17.066 712 2HB LEU 58 1HB LEU 58 13.803 2.077 -18.742 713 HG LEU 58 HG LEU 58 15.651 2.779 -16.457 714 1HD1 LEU 58 3HD1 LEU 58 15.767 0.442 -17.109 715 2HD1 LEU 58 2HD1 LEU 58 15.993 0.910 -18.794 716 3HD1 LEU 58 1HD1 LEU 58 17.227 1.304 -17.598 717 1HD2 LEU 58 2HD2 LEU 58 15.873 3.407 -19.405 718 2HD2 LEU 58 1HD2 LEU 58 15.627 4.576 -18.109 719 3HD2 LEU 58 3HD2 LEU 58 17.138 3.672 -18.207 720 MD1 LEU 58 QD1 LEU 58 16.329 0.885 -17.834 721 MD2 LEU 58 QD2 LEU 58 16.213 3.885 -18.574 722 QB LEU 58 QB LEU 58 13.695 1.853 -17.904 723 QD LEU 58 QQD LEU 58 16.271 2.385 -18.204 724 H GLU 59 H GLU 59 11.421 2.805 -15.883 725 HA GLU 59 HA GLU 59 9.302 2.433 -17.831 726 1HB GLU 59 2HB GLU 59 9.415 1.792 -14.874 727 2HB GLU 59 1HB GLU 59 8.073 1.404 -15.935 728 1HG GLU 59 2HG GLU 59 9.529 -0.111 -17.192 729 2HG GLU 59 1HG GLU 59 10.867 0.290 -16.111 730 QB GLU 59 QB GLU 59 8.744 1.598 -15.404 731 QG GLU 59 QG GLU 59 10.198 0.089 -16.652 732 H HIS 60 H HIS 60 8.501 4.441 -18.265 733 HA HIS 60 HA HIS 60 8.378 6.405 -16.237 734 1HB HIS 60 2HB HIS 60 7.276 7.930 -17.855 735 2HB HIS 60 1HB HIS 60 8.741 7.219 -18.478 736 HD1 HIS 60 1HD HIS 60 5.016 7.248 -19.030 737 HD2 HIS 60 2HD HIS 60 8.463 5.692 -20.737 738 HE1 HIS 60 1HE HIS 60 4.365 6.464 -21.316 739 QB HIS 60 QB HIS 60 8.009 7.575 -18.166 740 H HIS 61 H HIS 61 6.825 7.295 -15.168 741 HA HIS 61 HA HIS 61 4.354 5.732 -14.879 742 1HB HIS 61 2HB HIS 61 4.721 5.969 -12.382 743 2HB HIS 61 1HB HIS 61 5.806 4.866 -13.218 744 HD1 HIS 61 1HD HIS 61 5.808 8.077 -11.270 745 HD2 HIS 61 2HD HIS 61 8.492 5.720 -13.389 746 HE1 HIS 61 1HE HIS 61 8.097 8.964 -10.739 747 QB HIS 61 QB HIS 61 5.263 5.418 -12.800 748 H HIS 62 H HIS 62 5.460 8.635 -15.613 749 HA HIS 62 HA HIS 62 3.974 10.325 -13.873 750 1HB HIS 62 2HB HIS 62 4.548 12.160 -15.367 751 2HB HIS 62 1HB HIS 62 5.964 11.152 -15.126 752 HD1 HIS 62 1HD HIS 62 4.705 13.068 -17.675 753 HD2 HIS 62 2HD HIS 62 5.726 9.052 -17.506 754 HE1 HIS 62 1HE HIS 62 5.148 12.358 -20.059 755 QB HIS 62 QB HIS 62 5.256 11.656 -15.247 756 H HIS 63 H HIS 63 2.464 11.977 -15.001 757 HA HIS 63 HA HIS 63 0.471 12.490 -15.723 758 1HB HIS 63 2HB HIS 63 1.359 11.938 -17.990 759 2HB HIS 63 1HB HIS 63 0.745 10.298 -17.808 760 HD1 HIS 63 1HD HIS 63 -1.634 9.939 -18.646 761 HD2 HIS 63 2HD HIS 63 -0.779 13.933 -17.874 762 HE1 HIS 63 1HE HIS 63 -3.645 11.237 -19.391 763 QB HIS 63 QB HIS 63 1.052 11.118 -17.899 764 H HIS 64 H HIS 64 -0.094 11.784 -13.690 765 HA HIS 64 HA HIS 64 -2.598 10.705 -13.616 766 1HB HIS 64 2HB HIS 64 -1.312 8.512 -13.837 767 2HB HIS 64 1HB HIS 64 -0.553 8.879 -12.295 768 HD1 HIS 64 1HD HIS 64 -3.685 7.505 -13.739 769 HD2 HIS 64 2HD HIS 64 -2.355 8.910 -10.064 770 HE1 HIS 64 1HE HIS 64 -5.369 6.736 -12.039 771 QB HIS 64 QB HIS 64 -0.933 8.696 -13.066 No H/Q in entry = 771 Start of MODEL 12 1 H1 MET 1 1HT MET 1 11.940 -3.926 0.864 2 H2 MET 1 3HT MET 1 11.663 -5.559 1.199 3 H3 MET 1 2HT MET 1 12.881 -4.720 1.976 4 HA MET 1 HA MET 1 14.161 -4.453 0.012 5 1HB MET 1 2HB MET 1 14.487 -6.569 1.261 6 2HB MET 1 1HB MET 1 13.205 -7.305 0.317 7 1HG MET 1 2HG MET 1 14.546 -7.017 -1.721 8 2HG MET 1 1HG MET 1 15.846 -6.333 -0.752 9 1HE MET 1 3HE MET 1 16.204 -8.786 -2.766 10 2HE MET 1 2HE MET 1 17.533 -8.125 -1.812 11 3HE MET 1 1HE MET 1 17.229 -9.859 -1.815 12 QB MET 1 QB MET 1 13.846 -6.937 0.789 13 QG MET 1 QG MET 1 15.196 -6.675 -1.237 14 ME MET 1 QE MET 1 16.989 -8.923 -2.131 15 H ASN 2 H ASN 2 10.969 -5.888 -0.617 16 HA ASN 2 HA ASN 2 11.570 -5.725 -3.481 17 1HB ASN 2 2HB ASN 2 9.662 -7.615 -2.091 18 2HB ASN 2 1HB ASN 2 9.995 -7.552 -3.809 19 1HD2 ASN 2 1HD2 ASN 2 11.115 -8.543 -0.704 20 2HD2 ASN 2 2HD2 ASN 2 12.443 -9.486 -1.244 21 QB ASN 2 QB ASN 2 9.829 -7.583 -2.950 22 QD ASN 2 QD2 ASN 2 11.779 -9.015 -0.974 23 H VAL 3 H VAL 3 10.636 -3.847 -4.086 24 HA VAL 3 HA VAL 3 8.233 -2.903 -2.972 25 HB VAL 3 HB VAL 3 8.112 -1.345 -4.914 26 1HG1 VAL 3 2HG1 VAL 3 10.829 -1.591 -3.623 27 2HG1 VAL 3 1HG1 VAL 3 10.204 -0.150 -4.422 28 3HG1 VAL 3 3HG1 VAL 3 9.426 -0.754 -2.960 29 1HG2 VAL 3 2HG2 VAL 3 9.014 -2.863 -6.632 30 2HG2 VAL 3 1HG2 VAL 3 9.908 -1.343 -6.593 31 3HG2 VAL 3 3HG2 VAL 3 10.594 -2.794 -5.864 32 MG1 VAL 3 QG1 VAL 3 10.153 -0.832 -3.668 33 MG2 VAL 3 QG2 VAL 3 9.839 -2.333 -6.363 34 QG VAL 3 QQG VAL 3 9.996 -1.582 -5.016 35 H THR 4 H THR 4 8.894 -5.193 -5.435 36 HA THR 4 HA THR 4 6.367 -5.298 -6.639 37 HB THR 4 HB THR 4 8.282 -6.365 -7.678 38 HG1 THR 4 1HG THR 4 6.182 -7.275 -8.063 39 1HG2 THR 4 1HG2 THR 4 8.246 -8.242 -5.315 40 2HG2 THR 4 3HG2 THR 4 9.221 -8.484 -6.764 41 3HG2 THR 4 2HG2 THR 4 9.511 -7.083 -5.730 42 MG THR 4 QG2 THR 4 8.993 -7.936 -5.937 43 H LYS 5 H LYS 5 7.578 -6.696 -3.632 44 HA LYS 5 HA LYS 5 5.258 -8.345 -3.253 45 1HB LYS 5 2HB LYS 5 7.550 -7.607 -1.438 46 2HB LYS 5 1HB LYS 5 6.164 -8.495 -0.839 47 1HG LYS 5 2HG LYS 5 8.024 -9.406 -3.036 48 2HG LYS 5 1HG LYS 5 8.013 -9.998 -1.372 49 1HD LYS 5 2HD LYS 5 5.659 -10.737 -1.712 50 2HD LYS 5 1HD LYS 5 5.785 -10.262 -3.397 51 1HE LYS 5 2HE LYS 5 6.128 -12.626 -3.248 52 2HE LYS 5 1HE LYS 5 7.658 -11.858 -3.664 53 1HZ LYS 5 1HZ LYS 5 6.893 -12.732 -0.928 54 2HZ LYS 5 3HZ LYS 5 7.828 -13.622 -1.995 55 3HZ LYS 5 2HZ LYS 5 8.425 -12.168 -1.406 56 QB LYS 5 QB LYS 5 6.857 -8.051 -1.138 57 QD LYS 5 QD LYS 5 5.722 -10.500 -2.555 58 QG LYS 5 QG LYS 5 8.019 -9.702 -2.204 59 QE LYS 5 QE LYS 5 6.893 -12.242 -3.456 60 QZ LYS 5 QZ LYS 5 7.715 -12.841 -1.443 61 H LEU 6 H LEU 6 6.359 -5.225 -2.228 62 HA LEU 6 HA LEU 6 4.225 -4.663 -0.492 63 1HB LEU 6 2HB LEU 6 6.411 -3.425 -0.700 64 2HB LEU 6 1HB LEU 6 5.782 -2.769 -2.203 65 HG LEU 6 HG LEU 6 4.126 -1.479 -1.055 66 1HD1 LEU 6 1HD1 LEU 6 5.085 -2.850 1.460 67 2HD1 LEU 6 3HD1 LEU 6 3.944 -1.510 1.399 68 3HD1 LEU 6 2HD1 LEU 6 3.505 -3.065 0.700 69 1HD2 LEU 6 1HD2 LEU 6 6.790 -1.332 0.337 70 2HD2 LEU 6 3HD2 LEU 6 6.357 -0.537 -1.177 71 3HD2 LEU 6 2HD2 LEU 6 5.563 -0.072 0.331 72 MD1 LEU 6 QD1 LEU 6 4.178 -2.475 1.186 73 MD2 LEU 6 QD2 LEU 6 6.236 -0.647 -0.170 74 QB LEU 6 QB LEU 6 6.097 -3.097 -1.452 75 QD LEU 6 QQD LEU 6 5.207 -1.561 0.508 76 H ASN 7 H ASN 7 4.741 -4.166 -3.932 77 HA ASN 7 HA ASN 7 2.357 -2.958 -4.633 78 1HB ASN 7 2HB ASN 7 4.241 -3.190 -6.199 79 2HB ASN 7 1HB ASN 7 4.036 -4.930 -6.195 80 1HD2 ASN 7 1HD2 ASN 7 2.812 -1.920 -7.386 81 2HD2 ASN 7 2HD2 ASN 7 1.749 -2.562 -8.554 82 QB ASN 7 QB ASN 7 4.138 -4.060 -6.197 83 QD ASN 7 QD2 ASN 7 2.281 -2.241 -7.970 84 H ASP 8 H ASP 8 3.195 -6.345 -4.212 85 HA ASP 8 HA ASP 8 0.779 -7.516 -5.087 86 1HB ASP 8 2HB ASP 8 2.883 -8.773 -4.870 87 2HB ASP 8 1HB ASP 8 2.847 -8.545 -3.128 88 QB ASP 8 QB ASP 8 2.865 -8.659 -3.999 89 H ARG 9 H ARG 9 1.880 -6.361 -1.968 90 HA ARG 9 HA ARG 9 -0.343 -7.211 -0.435 91 1HB ARG 9 2HB ARG 9 1.488 -4.842 0.026 92 2HB ARG 9 1HB ARG 9 0.414 -5.546 1.232 93 1HG ARG 9 2HG ARG 9 1.641 -7.617 1.176 94 2HG ARG 9 1HG ARG 9 2.659 -7.009 -0.122 95 1HD ARG 9 2HD ARG 9 3.439 -5.216 1.451 96 2HD ARG 9 1HD ARG 9 2.541 -6.045 2.729 97 HE ARG 9 HE ARG 9 4.045 -7.976 1.597 98 1HH1 ARG 9 1HH1 ARG 9 4.776 -4.929 3.264 99 2HH1 ARG 9 2HH1 ARG 9 6.365 -5.372 3.687 100 1HH2 ARG 9 1HH2 ARG 9 6.235 -8.601 2.217 101 2HH2 ARG 9 2HH2 ARG 9 7.209 -7.513 3.092 102 QB ARG 9 QB ARG 9 0.951 -5.194 0.629 103 QG ARG 9 QG ARG 9 2.150 -7.313 0.527 104 QD ARG 9 QD ARG 9 2.990 -5.631 2.090 105 QH1 ARG 9 QH1 ARG 9 5.570 -5.150 3.476 106 QH2 ARG 9 QH2 ARG 9 6.722 -8.057 2.654 107 H ILE 10 H ILE 10 0.272 -4.398 -2.407 108 HA ILE 10 HA ILE 10 -2.044 -2.938 -1.768 109 HB ILE 10 HB ILE 10 -0.439 -2.991 -4.345 110 1HG1 ILE 10 2HG1 ILE 10 -0.425 -1.024 -2.050 111 2HG1 ILE 10 1HG1 ILE 10 0.795 -2.258 -2.341 112 1HG2 ILE 10 1HG2 ILE 10 -2.550 -0.991 -3.490 113 2HG2 ILE 10 3HG2 ILE 10 -1.505 -0.825 -4.898 114 3HG2 ILE 10 2HG2 ILE 10 -2.687 -2.124 -4.834 115 1HD1 ILE 10 2HD1 ILE 10 0.160 0.052 -4.166 116 2HD1 ILE 10 1HD1 ILE 10 1.529 -0.064 -3.053 117 3HD1 ILE 10 3HD1 ILE 10 1.412 -1.166 -4.420 118 MG ILE 10 QG2 ILE 10 -2.247 -1.313 -4.407 119 MD ILE 10 QD1 ILE 10 1.034 -0.393 -3.879 120 QG ILE 10 QG1 ILE 10 0.185 -1.641 -2.196 121 H GLU 11 H GLU 11 -1.404 -5.513 -4.095 122 HA GLU 11 HA GLU 11 -3.796 -5.472 -5.536 123 1HB GLU 11 2HB GLU 11 -1.902 -6.936 -6.152 124 2HB GLU 11 1HB GLU 11 -2.193 -7.907 -4.723 125 1HG GLU 11 2HG GLU 11 -4.415 -8.504 -5.585 126 2HG GLU 11 1HG GLU 11 -4.077 -7.575 -7.041 127 QB GLU 11 QB GLU 11 -2.048 -7.422 -5.437 128 QG GLU 11 QG GLU 11 -4.246 -8.040 -6.313 129 H ALA 12 H ALA 12 -3.031 -7.219 -2.575 130 HA ALA 12 HA ALA 12 -5.590 -8.375 -2.227 131 1HB ALA 12 3HB ALA 12 -3.597 -9.261 -1.159 132 2HB ALA 12 1HB ALA 12 -4.832 -8.886 0.045 133 3HB ALA 12 2HB ALA 12 -3.454 -7.801 -0.185 134 MB ALA 12 QB ALA 12 -3.961 -8.649 -0.433 135 H LYS 13 H LYS 13 -4.273 -5.286 -1.450 136 HA LYS 13 HA LYS 13 -6.296 -4.517 0.411 137 1HB LYS 13 2HB LYS 13 -3.991 -3.543 0.365 138 2HB LYS 13 1HB LYS 13 -4.375 -2.792 -1.173 139 1HG LYS 13 2HG LYS 13 -4.539 -1.200 0.654 140 2HG LYS 13 1HG LYS 13 -6.116 -1.463 -0.099 141 1HD LYS 13 2HD LYS 13 -6.733 -2.999 1.677 142 2HD LYS 13 1HD LYS 13 -5.138 -2.816 2.408 143 1HE LYS 13 2HE LYS 13 -5.604 -0.461 2.801 144 2HE LYS 13 1HE LYS 13 -7.186 -0.646 2.041 145 1HZ LYS 13 2HZ LYS 13 -6.266 -2.138 4.402 146 2HZ LYS 13 1HZ LYS 13 -7.248 -0.798 4.515 147 3HZ LYS 13 3HZ LYS 13 -7.805 -2.216 3.750 148 QB LYS 13 QB LYS 13 -4.183 -3.168 -0.404 149 QD LYS 13 QD LYS 13 -5.936 -2.907 2.043 150 QG LYS 13 QG LYS 13 -5.327 -1.332 0.278 151 QE LYS 13 QE LYS 13 -6.395 -0.554 2.421 152 QZ LYS 13 QZ LYS 13 -7.106 -1.717 4.222 153 H LYS 14 H LYS 14 -5.671 -4.087 -3.010 154 HA LYS 14 HA LYS 14 -7.787 -2.359 -3.675 155 1HB LYS 14 2HB LYS 14 -6.505 -4.523 -5.360 156 2HB LYS 14 1HB LYS 14 -7.508 -3.219 -5.974 157 1HG LYS 14 2HG LYS 14 -5.861 -1.587 -5.410 158 2HG LYS 14 1HG LYS 14 -4.917 -2.773 -4.505 159 1HD LYS 14 2HD LYS 14 -3.818 -2.475 -6.606 160 2HD LYS 14 1HD LYS 14 -4.636 -4.029 -6.671 161 1HE LYS 14 2HE LYS 14 -6.531 -2.858 -7.847 162 2HE LYS 14 1HE LYS 14 -5.463 -1.445 -7.888 163 1HZ LYS 14 3HZ LYS 14 -3.852 -2.740 -9.150 164 2HZ LYS 14 2HZ LYS 14 -4.864 -4.079 -9.092 165 3HZ LYS 14 1HZ LYS 14 -5.340 -2.720 -9.956 166 QB LYS 14 QB LYS 14 -7.006 -3.871 -5.667 167 QD LYS 14 QD LYS 14 -4.227 -3.252 -6.639 168 QG LYS 14 QG LYS 14 -5.389 -2.180 -4.958 169 QE LYS 14 QE LYS 14 -5.997 -2.151 -7.867 170 QZ LYS 14 QZ LYS 14 -4.685 -3.180 -9.399 171 H LYS 15 H LYS 15 -7.523 -5.880 -3.698 172 HA LYS 15 HA LYS 15 -10.104 -6.520 -4.606 173 1HB LYS 15 2HB LYS 15 -8.435 -8.085 -2.629 174 2HB LYS 15 1HB LYS 15 -9.755 -8.713 -3.603 175 1HG LYS 15 2HG LYS 15 -8.453 -8.320 -5.635 176 2HG LYS 15 1HG LYS 15 -7.146 -7.640 -4.671 177 1HD LYS 15 2HD LYS 15 -6.554 -9.893 -5.182 178 2HD LYS 15 1HD LYS 15 -6.990 -9.837 -3.475 179 1HE LYS 15 2HE LYS 15 -7.975 -11.802 -4.452 180 2HE LYS 15 1HE LYS 15 -9.259 -10.653 -4.092 181 1HZ LYS 15 3HZ LYS 15 -9.156 -9.972 -6.481 182 2HZ LYS 15 2HZ LYS 15 -8.051 -11.230 -6.723 183 3HZ LYS 15 1HZ LYS 15 -9.610 -11.585 -6.248 184 QB LYS 15 QB LYS 15 -9.095 -8.399 -3.116 185 QD LYS 15 QD LYS 15 -6.772 -9.865 -4.329 186 QG LYS 15 QG LYS 15 -7.800 -7.980 -5.153 187 QE LYS 15 QE LYS 15 -8.617 -11.228 -4.272 188 QZ LYS 15 QZ LYS 15 -8.939 -10.929 -6.484 189 H GLU 16 H GLU 16 -8.844 -6.032 -1.376 190 HA GLU 16 HA GLU 16 -11.061 -6.629 0.212 191 1HB GLU 16 2HB GLU 16 -8.768 -6.289 1.033 192 2HB GLU 16 1HB GLU 16 -8.864 -4.593 0.610 193 1HG GLU 16 2HG GLU 16 -10.734 -4.386 2.265 194 2HG GLU 16 1HG GLU 16 -10.371 -6.039 2.767 195 QB GLU 16 QB GLU 16 -8.816 -5.441 0.822 196 QG GLU 16 QG GLU 16 -10.553 -5.212 2.516 197 H LEU 17 H LEU 17 -9.949 -3.566 -1.152 198 HA LEU 17 HA LEU 17 -12.006 -1.968 -0.086 199 1HB LEU 17 2HB LEU 17 -9.768 -1.160 -0.817 200 2HB LEU 17 1HB LEU 17 -10.244 -1.430 -2.477 201 HG LEU 17 HG LEU 17 -12.006 0.292 -2.233 202 1HD1 LEU 17 2HD1 LEU 17 -10.815 0.605 0.510 203 2HD1 LEU 17 1HD1 LEU 17 -11.925 1.753 -0.245 204 3HD1 LEU 17 3HD1 LEU 17 -12.464 0.114 0.122 205 1HD2 LEU 17 2HD2 LEU 17 -9.778 0.902 -3.069 206 2HD2 LEU 17 1HD2 LEU 17 -10.516 2.214 -2.141 207 3HD2 LEU 17 3HD2 LEU 17 -9.267 1.214 -1.406 208 MD1 LEU 17 QD1 LEU 17 -11.734 0.824 0.129 209 MD2 LEU 17 QD2 LEU 17 -9.854 1.443 -2.205 210 QB LEU 17 QB LEU 17 -10.006 -1.295 -1.647 211 QD LEU 17 QQD LEU 17 -10.794 1.134 -1.038 212 H ILE 18 H ILE 18 -11.488 -3.344 -3.331 213 HA ILE 18 HA ILE 18 -13.742 -2.337 -4.602 214 HB ILE 18 HB ILE 18 -12.281 -4.958 -5.055 215 1HG1 ILE 18 2HG1 ILE 18 -12.244 -2.352 -6.601 216 2HG1 ILE 18 1HG1 ILE 18 -11.007 -2.888 -5.472 217 1HG2 ILE 18 2HG2 ILE 18 -14.557 -5.225 -5.910 218 2HG2 ILE 18 1HG2 ILE 18 -14.399 -3.740 -6.841 219 3HG2 ILE 18 3HG2 ILE 18 -13.395 -5.135 -7.233 220 1HD1 ILE 18 3HD1 ILE 18 -11.745 -4.242 -8.060 221 2HD1 ILE 18 2HD1 ILE 18 -10.320 -3.239 -7.777 222 3HD1 ILE 18 1HD1 ILE 18 -10.496 -4.779 -6.936 223 MG ILE 18 QG2 ILE 18 -14.117 -4.700 -6.661 224 MD ILE 18 QD1 ILE 18 -10.854 -4.087 -7.591 225 QG ILE 18 QG1 ILE 18 -11.625 -2.620 -6.037 226 H TYR 19 H TYR 19 -13.402 -5.298 -2.728 227 HA TYR 19 HA TYR 19 -15.927 -6.404 -3.015 228 1HB TYR 19 2HB TYR 19 -14.100 -7.588 -1.946 229 2HB TYR 19 1HB TYR 19 -14.043 -6.409 -0.651 230 HD1 TYR 19 1HD TYR 19 -16.069 -9.155 -2.103 231 HD2 TYR 19 2HD TYR 19 -15.408 -6.642 1.261 232 HE1 TYR 19 1HE TYR 19 -17.554 -10.577 -0.743 233 HE2 TYR 19 2HE TYR 19 -16.888 -8.050 2.616 234 HH TYR 19 HH TYR 19 -17.925 -11.106 1.582 235 QB TYR 19 QB TYR 19 -14.071 -6.998 -1.298 236 QD TYR 19 QD TYR 19 -15.738 -7.898 -0.421 237 QE TYR 19 QE TYR 19 -17.221 -9.314 0.936 238 QR TYR 19 QR TYR 19 -16.480 -8.606 0.257 239 H LEU 20 H LEU 20 -14.828 -3.976 -0.682 240 HA LEU 20 HA LEU 20 -17.331 -3.809 0.677 241 1HB LEU 20 2HB LEU 20 -15.006 -1.893 0.660 242 2HB LEU 20 1HB LEU 20 -16.360 -1.827 1.768 243 HG LEU 20 HG LEU 20 -14.350 -4.070 1.607 244 1HD1 LEU 20 3HD1 LEU 20 -14.714 -1.878 3.630 245 2HD1 LEU 20 2HD1 LEU 20 -13.587 -3.228 3.762 246 3HD1 LEU 20 1HD1 LEU 20 -13.383 -2.030 2.482 247 1HD2 LEU 20 3HD2 LEU 20 -16.613 -3.578 3.546 248 2HD2 LEU 20 2HD2 LEU 20 -16.533 -4.870 2.343 249 3HD2 LEU 20 1HD2 LEU 20 -15.396 -4.845 3.684 250 MD1 LEU 20 QD1 LEU 20 -13.895 -2.379 3.292 251 MD2 LEU 20 QD2 LEU 20 -16.181 -4.431 3.191 252 QB LEU 20 QB LEU 20 -15.683 -1.860 1.214 253 QD LEU 20 QQD LEU 20 -15.038 -3.405 3.241 254 H VAL 21 H VAL 21 -15.787 -1.948 -1.866 255 HA VAL 21 HA VAL 21 -17.719 0.107 -1.970 256 HB VAL 21 HB VAL 21 -15.892 -0.856 -4.200 257 1HG1 VAL 21 2HG1 VAL 21 -17.415 1.742 -3.925 258 2HG1 VAL 21 1HG1 VAL 21 -16.232 1.382 -5.183 259 3HG1 VAL 21 3HG1 VAL 21 -17.738 0.467 -5.097 260 1HG2 VAL 21 1HG2 VAL 21 -14.657 -0.132 -2.233 261 2HG2 VAL 21 3HG2 VAL 21 -14.458 1.020 -3.551 262 3HG2 VAL 21 2HG2 VAL 21 -15.548 1.388 -2.215 263 MG1 VAL 21 QG1 VAL 21 -17.128 1.197 -4.735 264 MG2 VAL 21 QG2 VAL 21 -14.888 0.759 -2.666 265 QG VAL 21 QQG VAL 21 -16.008 0.978 -3.701 266 H GLU 22 H GLU 22 -17.495 -2.973 -3.652 267 HA GLU 22 HA GLU 22 -19.713 -2.616 -5.349 268 1HB GLU 22 2HB GLU 22 -18.597 -5.163 -4.164 269 2HB GLU 22 1HB GLU 22 -19.785 -5.094 -5.454 270 1HG GLU 22 2HG GLU 22 -16.982 -4.012 -5.594 271 2HG GLU 22 1HG GLU 22 -17.527 -5.541 -6.273 272 QB GLU 22 QB GLU 22 -19.191 -5.128 -4.809 273 QG GLU 22 QG GLU 22 -17.254 -4.776 -5.933 274 H LYS 23 H LYS 23 -19.455 -3.921 -2.075 275 HA LYS 23 HA LYS 23 -22.254 -4.567 -2.054 276 1HB LYS 23 2HB LYS 23 -20.200 -4.853 0.125 277 2HB LYS 23 1HB LYS 23 -21.862 -5.417 0.238 278 1HG LYS 23 2HG LYS 23 -21.485 -6.890 -1.686 279 2HG LYS 23 1HG LYS 23 -19.826 -6.328 -1.785 280 1HD LYS 23 2HD LYS 23 -19.675 -8.379 -0.674 281 2HD LYS 23 1HD LYS 23 -19.575 -7.179 0.605 282 1HE LYS 23 2HE LYS 23 -22.109 -8.653 -0.147 283 2HE LYS 23 1HE LYS 23 -21.005 -9.186 1.107 284 1HZ LYS 23 3HZ LYS 23 -21.482 -7.119 2.312 285 2HZ LYS 23 2HZ LYS 23 -22.624 -6.662 1.151 286 3HZ LYS 23 1HZ LYS 23 -22.846 -8.026 2.059 287 QB LYS 23 QB LYS 23 -21.031 -5.135 0.181 288 QD LYS 23 QD LYS 23 -19.625 -7.779 -0.034 289 QG LYS 23 QG LYS 23 -20.655 -6.609 -1.736 290 QE LYS 23 QE LYS 23 -21.557 -8.919 0.480 291 QZ LYS 23 QZ LYS 23 -22.317 -7.269 1.841 292 H TYR 24 H TYR 24 -20.283 -2.172 -0.308 293 HA TYR 24 HA TYR 24 -22.787 -1.126 0.843 294 1HB TYR 24 2HB TYR 24 -19.942 -0.502 1.547 295 2HB TYR 24 1HB TYR 24 -21.360 0.107 2.388 296 HD1 TYR 24 1HD TYR 24 -18.856 -2.364 2.295 297 HD2 TYR 24 2HD TYR 24 -22.898 -1.734 3.440 298 HE1 TYR 24 1HE TYR 24 -18.715 -4.279 3.810 299 HE2 TYR 24 2HE TYR 24 -22.770 -3.658 4.965 300 HH TYR 24 HH TYR 24 -19.863 -5.065 5.862 301 QB TYR 24 QB TYR 24 -20.651 -0.197 1.968 302 QD TYR 24 QD TYR 24 -20.877 -2.049 2.868 303 QE TYR 24 QE TYR 24 -20.742 -3.969 4.387 304 QR TYR 24 QR TYR 24 -20.810 -3.009 3.628 305 H GLY 25 H GLY 25 -19.938 -0.232 -0.976 306 1HA GLY 25 1HA GLY 25 -21.148 2.406 -1.457 307 2HA GLY 25 2HA GLY 25 -20.301 1.484 -2.706 308 QA GLY 25 QA GLY 25 -20.724 1.945 -2.081 309 H PHE 26 H PHE 26 -19.585 4.102 -1.774 310 HA PHE 26 HA PHE 26 -17.107 3.495 -0.335 311 1HB PHE 26 2HB PHE 26 -15.787 4.835 -1.937 312 2HB PHE 26 1HB PHE 26 -16.516 3.434 -2.703 313 HD1 PHE 26 1HD PHE 26 -18.498 3.760 -4.195 314 HD2 PHE 26 2HD PHE 26 -16.261 7.035 -2.658 315 HE1 PHE 26 1HE PHE 26 -19.465 5.221 -5.914 316 HE2 PHE 26 2HE PHE 26 -17.229 8.504 -4.370 317 HZ PHE 26 HZ PHE 26 -18.835 7.599 -6.000 318 QB PHE 26 QB PHE 26 -16.151 4.135 -2.320 319 QD PHE 26 QD PHE 26 -17.380 5.397 -3.426 320 QE PHE 26 QE PHE 26 -18.347 6.863 -5.142 321 QR PHE 26 QR PHE 26 -18.058 6.424 -4.627 322 H THR 27 H THR 27 -19.710 4.989 0.150 323 HA THR 27 HA THR 27 -18.797 7.708 0.338 324 HB THR 27 HB THR 27 -21.433 6.598 1.253 325 HG1 THR 27 1HG THR 27 -22.005 7.187 -1.012 326 1HG2 THR 27 3HG2 THR 27 -20.582 9.278 0.112 327 2HG2 THR 27 2HG2 THR 27 -22.218 8.852 0.603 328 3HG2 THR 27 1HG2 THR 27 -20.934 8.958 1.809 329 MG THR 27 QG2 THR 27 -21.245 9.030 0.841 330 H HIS 28 H HIS 28 -19.115 4.961 2.453 331 HA HIS 28 HA HIS 28 -19.224 6.657 4.776 332 1HB HIS 28 2HB HIS 28 -19.416 4.630 6.124 333 2HB HIS 28 1HB HIS 28 -20.540 4.573 4.784 334 HD1 HIS 28 1HD HIS 28 -20.193 2.636 3.043 335 HD2 HIS 28 2HD HIS 28 -17.395 2.779 6.110 336 HE1 HIS 28 1HE HIS 28 -18.954 0.441 2.990 337 QB HIS 28 QB HIS 28 -19.978 4.602 5.454 338 H HIS 29 H HIS 29 -17.739 6.257 6.630 339 HA HIS 29 HA HIS 29 -15.264 7.283 5.824 340 1HB HIS 29 2HB HIS 29 -16.215 6.400 8.531 341 2HB HIS 29 1HB HIS 29 -14.639 7.125 8.252 342 HD1 HIS 29 1HD HIS 29 -14.551 9.648 8.016 343 HD2 HIS 29 2HD HIS 29 -18.417 8.148 8.038 344 HE1 HIS 29 1HE HIS 29 -16.070 11.642 8.206 345 QB HIS 29 QB HIS 29 -15.427 6.763 8.392 346 H LYS 30 H LYS 30 -16.080 4.010 6.697 347 HA LYS 30 HA LYS 30 -13.422 3.190 7.154 348 1HB LYS 30 2HB LYS 30 -15.763 1.513 6.234 349 2HB LYS 30 1HB LYS 30 -14.197 0.862 6.680 350 1HG LYS 30 2HG LYS 30 -14.458 1.809 8.933 351 2HG LYS 30 1HG LYS 30 -16.066 2.380 8.478 352 1HD LYS 30 2HD LYS 30 -16.800 0.104 8.091 353 2HD LYS 30 1HD LYS 30 -15.180 -0.506 8.423 354 1HE LYS 30 2HE LYS 30 -16.976 0.931 10.380 355 2HE LYS 30 1HE LYS 30 -16.654 -0.800 10.352 356 1HZ LYS 30 3HZ LYS 30 -14.269 -0.259 10.765 357 2HZ LYS 30 2HZ LYS 30 -14.697 1.360 10.925 358 3HZ LYS 30 1HZ LYS 30 -15.291 0.241 12.007 359 QB LYS 30 QB LYS 30 -14.980 1.187 6.457 360 QD LYS 30 QD LYS 30 -15.990 -0.201 8.257 361 QG LYS 30 QG LYS 30 -15.262 2.094 8.706 362 QE LYS 30 QE LYS 30 -16.815 0.065 10.366 363 QZ LYS 30 QZ LYS 30 -14.752 0.447 11.232 364 H VAL 31 H VAL 31 -15.343 3.099 4.183 365 HA VAL 31 HA VAL 31 -13.327 1.985 2.571 366 HB VAL 31 HB VAL 31 -15.606 3.827 1.742 367 1HG1 VAL 31 3HG1 VAL 31 -13.773 3.756 0.069 368 2HG1 VAL 31 2HG1 VAL 31 -13.910 1.998 0.047 369 3HG1 VAL 31 1HG1 VAL 31 -15.240 2.980 -0.533 370 1HG2 VAL 31 1HG2 VAL 31 -15.342 0.824 1.684 371 2HG2 VAL 31 3HG2 VAL 31 -16.353 1.757 2.785 372 3HG2 VAL 31 2HG2 VAL 31 -16.706 1.748 1.058 373 MG1 VAL 31 QG1 VAL 31 -14.307 2.911 -0.139 374 MG2 VAL 31 QG2 VAL 31 -16.134 1.443 1.842 375 QG VAL 31 QQG VAL 31 -15.221 2.177 0.852 376 H ILE 32 H ILE 32 -14.131 5.325 3.340 377 HA ILE 32 HA ILE 32 -12.264 6.622 1.714 378 HB ILE 32 HB ILE 32 -13.225 7.460 4.478 379 1HG1 ILE 32 2HG1 ILE 32 -14.279 8.203 1.734 380 2HG1 ILE 32 1HG1 ILE 32 -15.059 7.092 2.852 381 1HG2 ILE 32 1HG2 ILE 32 -11.958 9.115 2.287 382 2HG2 ILE 32 3HG2 ILE 32 -12.629 9.749 3.790 383 3HG2 ILE 32 2HG2 ILE 32 -11.216 8.693 3.830 384 1HD1 ILE 32 2HD1 ILE 32 -15.380 8.939 4.434 385 2HD1 ILE 32 1HD1 ILE 32 -14.599 10.035 3.298 386 3HD1 ILE 32 3HD1 ILE 32 -16.129 9.272 2.871 387 MG ILE 32 QG2 ILE 32 -11.934 9.186 3.302 388 MD ILE 32 QD1 ILE 32 -15.369 9.415 3.534 389 QG ILE 32 QG1 ILE 32 -14.669 7.647 2.293 390 H SER 33 H SER 33 -11.951 5.459 5.043 391 HA SER 33 HA SER 33 -9.294 6.207 5.457 392 1HB SER 33 2HB SER 33 -10.819 3.909 6.681 393 2HB SER 33 1HB SER 33 -9.348 4.642 7.328 394 HG SER 33 HG SER 33 -11.950 5.714 7.129 395 QB SER 33 QB SER 33 -10.083 4.275 7.004 396 H PHE 34 H PHE 34 -10.671 3.190 4.158 397 HA PHE 34 HA PHE 34 -8.166 1.890 3.970 398 1HB PHE 34 2HB PHE 34 -10.731 1.306 2.497 399 2HB PHE 34 1HB PHE 34 -9.303 0.278 2.440 400 HD1 PHE 34 1HD PHE 34 -8.473 0.267 5.270 401 HD2 PHE 34 2HD PHE 34 -12.335 0.064 3.526 402 HE1 PHE 34 1HE PHE 34 -9.286 -0.953 7.239 403 HE2 PHE 34 2HE PHE 34 -13.169 -1.149 5.500 404 HZ PHE 34 HZ PHE 34 -11.643 -1.660 7.360 405 QB PHE 34 QB PHE 34 -10.017 0.792 2.468 406 QD PHE 34 QD PHE 34 -10.404 0.166 4.398 407 QE PHE 34 QE PHE 34 -11.227 -1.051 6.370 408 QR PHE 34 QR PHE 34 -10.981 -0.686 5.779 409 H SER 35 H SER 35 -9.904 3.983 1.764 410 HA SER 35 HA SER 35 -8.228 3.473 -0.459 411 1HB SER 35 2HB SER 35 -10.506 4.498 -0.631 412 2HB SER 35 1HB SER 35 -9.879 5.956 0.131 413 HG SER 35 HG SER 35 -8.796 4.863 -2.253 414 QB SER 35 QB SER 35 -10.192 5.227 -0.250 415 H GLN 36 H GLN 36 -8.118 5.761 2.216 416 HA GLN 36 HA GLN 36 -5.837 7.241 1.382 417 1HB GLN 36 2HB GLN 36 -6.841 6.645 4.165 418 2HB GLN 36 1HB GLN 36 -5.645 7.863 3.754 419 1HG GLN 36 2HG GLN 36 -7.266 9.161 2.598 420 2HG GLN 36 1HG GLN 36 -8.466 7.874 2.730 421 1HE2 GLN 36 1HE2 GLN 36 -8.589 10.606 3.675 422 2HE2 GLN 36 2HE2 GLN 36 -8.872 10.513 5.376 423 QB GLN 36 QB GLN 36 -6.243 7.254 3.959 424 QG GLN 36 QG GLN 36 -7.866 8.517 2.664 425 QE GLN 36 QE2 GLN 36 -8.730 10.560 4.526 426 H GLU 37 H GLU 37 -6.327 4.299 3.183 427 HA GLU 37 HA GLU 37 -3.639 3.952 3.982 428 1HB GLU 37 2HB GLU 37 -5.535 2.944 5.165 429 2HB GLU 37 1HB GLU 37 -5.892 1.955 3.763 430 1HG GLU 37 2HG GLU 37 -3.981 0.632 4.082 431 2HG GLU 37 1HG GLU 37 -3.272 1.795 5.205 432 QB GLU 37 QB GLU 37 -5.713 2.449 4.464 433 QG GLU 37 QG GLU 37 -3.626 1.213 4.643 434 H LEU 38 H LEU 38 -5.550 2.706 1.278 435 HA LEU 38 HA LEU 38 -3.549 1.097 0.124 436 1HB LEU 38 2HB LEU 38 -6.035 1.167 -0.441 437 2HB LEU 38 1HB LEU 38 -5.737 2.645 -1.313 438 HG LEU 38 HG LEU 38 -4.480 -0.008 -2.083 439 1HD1 LEU 38 1HD1 LEU 38 -6.987 1.287 -3.134 440 2HD1 LEU 38 3HD1 LEU 38 -6.209 -0.147 -3.803 441 3HD1 LEU 38 2HD1 LEU 38 -6.899 -0.195 -2.181 442 1HD2 LEU 38 2HD2 LEU 38 -3.353 1.998 -2.990 443 2HD2 LEU 38 1HD2 LEU 38 -4.151 1.067 -4.260 444 3HD2 LEU 38 3HD2 LEU 38 -4.891 2.548 -3.653 445 MD1 LEU 38 QD1 LEU 38 -6.699 0.315 -3.039 446 MD2 LEU 38 QD2 LEU 38 -4.131 1.871 -3.635 447 QB LEU 38 QB LEU 38 -5.886 1.906 -0.877 448 QD LEU 38 QQD LEU 38 -5.415 1.093 -3.337 449 H ASP 39 H ASP 39 -4.428 4.471 -0.278 450 HA ASP 39 HA ASP 39 -2.569 5.352 -2.147 451 1HB ASP 39 2HB ASP 39 -4.342 6.781 -1.435 452 2HB ASP 39 1HB ASP 39 -3.802 6.720 0.235 453 QB ASP 39 QB ASP 39 -4.072 6.751 -0.600 454 H ARG 40 H ARG 40 -2.243 4.966 1.316 455 HA ARG 40 HA ARG 40 0.308 6.129 1.557 456 1HB ARG 40 2HB ARG 40 -1.206 5.897 3.459 457 2HB ARG 40 1HB ARG 40 -1.126 4.156 3.337 458 1HG ARG 40 2HG ARG 40 1.098 4.105 4.138 459 2HG ARG 40 1HG ARG 40 1.281 5.850 3.943 460 1HD ARG 40 2HD ARG 40 0.911 5.198 6.299 461 2HD ARG 40 1HD ARG 40 -0.338 6.271 5.681 462 HE ARG 40 HE ARG 40 -0.660 3.354 5.989 463 1HH1 ARG 40 1HH1 ARG 40 -2.070 6.631 6.129 464 2HH1 ARG 40 2HH1 ARG 40 -3.554 6.104 6.770 465 1HH2 ARG 40 1HH2 ARG 40 -2.727 2.672 6.889 466 2HH2 ARG 40 2HH2 ARG 40 -3.921 3.834 7.233 467 QB ARG 40 QB ARG 40 -1.166 5.026 3.398 468 QG ARG 40 QG ARG 40 1.190 4.978 4.041 469 QD ARG 40 QD ARG 40 0.286 5.734 5.990 470 QH1 ARG 40 QH1 ARG 40 -2.812 6.367 6.450 471 QH2 ARG 40 QH2 ARG 40 -3.324 3.253 7.061 472 H LEU 41 H LEU 41 -0.704 2.758 1.126 473 HA LEU 41 HA LEU 41 1.919 1.679 1.131 474 1HB LEU 41 2HB LEU 41 -0.708 0.671 0.083 475 2HB LEU 41 1HB LEU 41 0.766 -0.167 -0.333 476 HG LEU 41 HG LEU 41 1.176 -0.615 2.063 477 1HD1 LEU 41 1HD1 LEU 41 -1.518 0.644 2.506 478 2HD1 LEU 41 3HD1 LEU 41 -0.593 -0.266 3.699 479 3HD1 LEU 41 2HD1 LEU 41 0.033 1.261 3.075 480 1HD2 LEU 41 2HD2 LEU 41 -1.509 -1.497 1.030 481 2HD2 LEU 41 1HD2 LEU 41 0.044 -2.264 0.704 482 3HD2 LEU 41 3HD2 LEU 41 -0.617 -2.269 2.339 483 MD1 LEU 41 QD1 LEU 41 -0.693 0.546 3.093 484 MD2 LEU 41 QD2 LEU 41 -0.694 -2.010 1.357 485 QB LEU 41 QB LEU 41 0.029 0.252 -0.125 486 QD LEU 41 QQD LEU 41 -0.693 -0.732 2.225 487 H LEU 42 H LEU 42 -0.166 2.883 -1.414 488 HA LEU 42 HA LEU 42 1.480 2.243 -3.610 489 1HB LEU 42 2HB LEU 42 -0.967 2.884 -3.647 490 2HB LEU 42 1HB LEU 42 -0.493 4.532 -3.341 491 HG LEU 42 HG LEU 42 0.317 3.031 -5.853 492 1HD1 LEU 42 2HD1 LEU 42 -2.066 4.823 -5.387 493 2HD1 LEU 42 1HD1 LEU 42 -1.540 4.195 -6.950 494 3HD1 LEU 42 3HD1 LEU 42 -2.110 3.088 -5.701 495 1HD2 LEU 42 3HD2 LEU 42 1.630 5.058 -5.344 496 2HD2 LEU 42 2HD2 LEU 42 0.628 5.277 -6.778 497 3HD2 LEU 42 1HD2 LEU 42 0.138 5.991 -5.240 498 MD1 LEU 42 QD1 LEU 42 -1.905 4.035 -6.013 499 MD2 LEU 42 QD2 LEU 42 0.799 5.442 -5.787 500 QB LEU 42 QB LEU 42 -0.730 3.708 -3.494 501 QD LEU 42 QQD LEU 42 -0.553 4.738 -5.900 502 H ASN 43 H ASN 43 1.370 4.964 -1.427 503 HA ASN 43 HA ASN 43 3.143 6.670 -2.779 504 1HB ASN 43 2HB ASN 43 1.564 7.309 -0.929 505 2HB ASN 43 1HB ASN 43 2.667 6.535 0.200 506 1HD2 ASN 43 1HD2 ASN 43 2.163 9.180 -1.932 507 2HD2 ASN 43 2HD2 ASN 43 3.446 10.181 -1.361 508 QB ASN 43 QB ASN 43 2.116 6.922 -0.364 509 QD ASN 43 QD2 ASN 43 2.805 9.680 -1.646 510 H LEU 44 H LEU 44 3.664 3.951 -0.721 511 HA LEU 44 HA LEU 44 6.397 4.419 -0.142 512 1HB LEU 44 2HB LEU 44 4.884 1.819 -0.292 513 2HB LEU 44 1HB LEU 44 6.453 2.025 0.462 514 HG LEU 44 HG LEU 44 3.854 3.254 1.406 515 1HD1 LEU 44 3HD1 LEU 44 5.510 1.029 2.574 516 2HD1 LEU 44 2HD1 LEU 44 4.091 1.757 3.322 517 3HD1 LEU 44 1HD1 LEU 44 3.930 0.866 1.809 518 1HD2 LEU 44 2HD2 LEU 44 6.618 3.361 2.609 519 2HD2 LEU 44 1HD2 LEU 44 5.724 4.712 1.910 520 3HD2 LEU 44 3HD2 LEU 44 5.144 3.941 3.386 521 MD1 LEU 44 QD1 LEU 44 4.510 1.217 2.568 522 MD2 LEU 44 QD2 LEU 44 5.829 4.005 2.635 523 QB LEU 44 QB LEU 44 5.668 1.922 0.085 524 QD LEU 44 QQD LEU 44 5.170 2.611 2.602 525 H LEU 45 H LEU 45 4.698 2.963 -2.820 526 HA LEU 45 HA LEU 45 7.055 2.039 -4.154 527 1HB LEU 45 2HB LEU 45 4.216 2.409 -5.076 528 2HB LEU 45 1HB LEU 45 5.484 2.021 -6.212 529 HG LEU 45 HG LEU 45 5.906 -0.095 -4.986 530 1HD1 LEU 45 3HD1 LEU 45 3.485 0.683 -3.393 531 2HD1 LEU 45 2HD1 LEU 45 4.256 -0.905 -3.378 532 3HD1 LEU 45 1HD1 LEU 45 5.129 0.512 -2.785 533 1HD2 LEU 45 1HD2 LEU 45 3.085 0.336 -5.921 534 2HD2 LEU 45 3HD2 LEU 45 4.475 -0.090 -6.925 535 3HD2 LEU 45 2HD2 LEU 45 3.870 -1.226 -5.717 536 MD1 LEU 45 QD1 LEU 45 4.290 0.097 -3.185 537 MD2 LEU 45 QD2 LEU 45 3.810 -0.327 -6.188 538 QB LEU 45 QB LEU 45 4.850 2.215 -5.644 539 QD LEU 45 QQD LEU 45 4.050 -0.115 -4.686 540 H ILE 46 H ILE 46 5.187 4.988 -4.175 541 HA ILE 46 HA ILE 46 6.383 6.312 -6.337 542 HB ILE 46 HB ILE 46 5.282 7.380 -3.715 543 1HG1 ILE 46 2HG1 ILE 46 4.063 7.161 -6.470 544 2HG1 ILE 46 1HG1 ILE 46 3.664 6.175 -5.068 545 1HG2 ILE 46 2HG2 ILE 46 6.787 9.045 -4.684 546 2HG2 ILE 46 1HG2 ILE 46 5.891 8.947 -6.202 547 3HG2 ILE 46 3HG2 ILE 46 5.102 9.574 -4.755 548 1HD1 ILE 46 1HD1 ILE 46 2.830 8.196 -3.935 549 2HD1 ILE 46 3HD1 ILE 46 3.171 9.124 -5.393 550 3HD1 ILE 46 2HD1 ILE 46 1.970 7.831 -5.427 551 MG ILE 46 QG2 ILE 46 5.927 9.188 -5.214 552 MD ILE 46 QD1 ILE 46 2.657 8.384 -4.918 553 QG ILE 46 QG1 ILE 46 3.863 6.668 -5.769 554 H GLU 47 H GLU 47 7.325 5.913 -3.040 555 HA GLU 47 HA GLU 47 9.590 7.505 -2.769 556 1HB GLU 47 2HB GLU 47 8.444 6.341 -0.956 557 2HB GLU 47 1HB GLU 47 8.967 4.797 -1.593 558 1HG GLU 47 2HG GLU 47 11.332 5.625 -1.244 559 2HG GLU 47 1HG GLU 47 10.606 6.937 -0.317 560 QB GLU 47 QB GLU 47 8.705 5.569 -1.274 561 QG GLU 47 QG GLU 47 10.969 6.281 -0.780 562 H LEU 48 H LEU 48 9.170 4.452 -4.421 563 HA LEU 48 HA LEU 48 11.846 3.555 -4.388 564 1HB LEU 48 2HB LEU 48 9.955 2.049 -4.731 565 2HB LEU 48 1HB LEU 48 9.529 2.864 -6.206 566 HG LEU 48 HG LEU 48 10.553 0.577 -6.434 567 1HD1 LEU 48 3HD1 LEU 48 11.923 2.811 -7.893 568 2HD1 LEU 48 2HD1 LEU 48 11.941 1.115 -8.371 569 3HD1 LEU 48 1HD1 LEU 48 10.421 2.009 -8.350 570 1HD2 LEU 48 1HD2 LEU 48 12.284 0.753 -4.736 571 2HD2 LEU 48 3HD2 LEU 48 12.994 0.380 -6.307 572 3HD2 LEU 48 2HD2 LEU 48 13.086 2.019 -5.666 573 MD1 LEU 48 QD1 LEU 48 11.428 1.978 -8.205 574 MD2 LEU 48 QD2 LEU 48 12.788 1.050 -5.570 575 QB LEU 48 QB LEU 48 9.742 2.456 -5.469 576 QD LEU 48 QQD LEU 48 12.108 1.514 -6.887 577 H LYS 49 H LYS 49 10.109 5.670 -6.570 578 HA LYS 49 HA LYS 49 12.068 5.546 -8.639 579 1HB LYS 49 2HB LYS 49 9.825 7.478 -8.134 580 2HB LYS 49 1HB LYS 49 10.962 7.717 -9.444 581 1HG LYS 49 2HG LYS 49 9.048 6.687 -10.374 582 2HG LYS 49 1HG LYS 49 10.306 5.471 -10.305 583 1HD LYS 49 2HD LYS 49 9.304 4.499 -8.316 584 2HD LYS 49 1HD LYS 49 8.049 5.746 -8.328 585 1HE LYS 49 2HE LYS 49 7.160 3.753 -9.328 586 2HE LYS 49 1HE LYS 49 7.368 4.981 -10.570 587 1HZ LYS 49 3HZ LYS 49 9.543 3.809 -11.153 588 2HZ LYS 49 2HZ LYS 49 9.013 2.562 -10.114 589 3HZ LYS 49 1HZ LYS 49 8.122 2.962 -11.447 590 QB LYS 49 QB LYS 49 10.394 7.597 -8.789 591 QD LYS 49 QD LYS 49 8.676 5.122 -8.322 592 QG LYS 49 QG LYS 49 9.677 6.079 -10.340 593 QE LYS 49 QE LYS 49 7.264 4.367 -9.949 594 QZ LYS 49 QZ LYS 49 8.892 3.111 -10.905 595 H THR 50 H THR 50 11.695 7.447 -5.795 596 HA THR 50 HA THR 50 13.217 9.677 -6.367 597 HB THR 50 HB THR 50 12.856 8.292 -3.714 598 HG1 THR 50 1HG THR 50 11.177 9.804 -5.405 599 1HG2 THR 50 2HG2 THR 50 13.139 11.226 -4.464 600 2HG2 THR 50 1HG2 THR 50 12.866 10.607 -2.831 601 3HG2 THR 50 3HG2 THR 50 14.375 10.250 -3.672 602 MG THR 50 QG2 THR 50 13.460 10.695 -3.656 603 H LYS 51 H LYS 51 14.283 6.454 -5.854 604 HA LYS 51 HA LYS 51 16.904 7.036 -4.875 605 1HB LYS 51 2HB LYS 51 15.725 4.570 -6.157 606 2HB LYS 51 1HB LYS 51 17.435 4.690 -5.799 607 1HG LYS 51 2HG LYS 51 16.340 3.448 -4.071 608 2HG LYS 51 1HG LYS 51 16.898 4.979 -3.415 609 1HD LYS 51 2HD LYS 51 14.614 5.861 -3.591 610 2HD LYS 51 1HD LYS 51 14.074 4.308 -4.234 611 1HE LYS 51 2HE LYS 51 14.741 3.193 -2.189 612 2HE LYS 51 1HE LYS 51 15.372 4.708 -1.551 613 1HZ LYS 51 2HZ LYS 51 13.133 5.608 -1.708 614 2HZ LYS 51 1HZ LYS 51 12.521 4.094 -2.129 615 3HZ LYS 51 3HZ LYS 51 13.251 4.344 -0.614 616 QB LYS 51 QB LYS 51 16.580 4.630 -5.978 617 QD LYS 51 QD LYS 51 14.344 5.085 -3.912 618 QG LYS 51 QG LYS 51 16.619 4.213 -3.743 619 QE LYS 51 QE LYS 51 15.056 3.951 -1.870 620 QZ LYS 51 QZ LYS 51 12.969 4.682 -1.484 621 H LYS 52 H LYS 52 15.394 7.201 -7.918 622 HA LYS 52 HA LYS 52 15.912 7.445 -10.011 623 1HB LYS 52 2HB LYS 52 17.501 9.229 -10.615 624 2HB LYS 52 1HB LYS 52 16.377 9.655 -9.340 625 1HG LYS 52 2HG LYS 52 18.122 9.377 -7.691 626 2HG LYS 52 1HG LYS 52 19.258 8.874 -8.942 627 1HD LYS 52 2HD LYS 52 19.602 11.232 -8.384 628 2HD LYS 52 1HD LYS 52 18.972 11.096 -10.027 629 1HE LYS 52 2HE LYS 52 16.711 11.623 -9.185 630 2HE LYS 52 1HE LYS 52 17.368 11.771 -7.553 631 1HZ LYS 52 2HZ LYS 52 18.731 13.627 -8.352 632 2HZ LYS 52 1HZ LYS 52 18.069 13.455 -9.888 633 3HZ LYS 52 3HZ LYS 52 17.090 13.906 -8.600 634 QB LYS 52 QB LYS 52 16.939 9.442 -9.978 635 QD LYS 52 QD LYS 52 19.287 11.164 -9.205 636 QG LYS 52 QG LYS 52 18.690 9.125 -8.317 637 QE LYS 52 QE LYS 52 17.039 11.697 -8.369 638 QZ LYS 52 QZ LYS 52 17.964 13.663 -8.947 639 H LYS 53 H LYS 53 18.172 5.707 -8.414 640 HA LYS 53 HA LYS 53 19.707 4.959 -10.734 641 1HB LYS 53 2HB LYS 53 20.656 3.255 -9.282 642 2HB LYS 53 1HB LYS 53 20.464 4.773 -8.389 643 1HG LYS 53 2HG LYS 53 18.420 3.924 -7.371 644 2HG LYS 53 1HG LYS 53 18.622 2.400 -8.227 645 1HD LYS 53 2HD LYS 53 20.747 2.041 -7.065 646 2HD LYS 53 1HD LYS 53 20.512 3.562 -6.192 647 1HE LYS 53 2HE LYS 53 18.384 2.645 -5.302 648 2HE LYS 53 1HE LYS 53 18.771 1.114 -6.075 649 1HZ LYS 53 2HZ LYS 53 20.416 2.461 -4.013 650 2HZ LYS 53 1HZ LYS 53 19.417 1.136 -3.742 651 3HZ LYS 53 3HZ LYS 53 20.766 0.978 -4.741 652 QB LYS 53 QB LYS 53 20.560 4.014 -8.835 653 QD LYS 53 QD LYS 53 20.629 2.801 -6.628 654 QG LYS 53 QG LYS 53 18.521 3.162 -7.799 655 QE LYS 53 QE LYS 53 18.577 1.879 -5.688 656 QZ LYS 53 QZ LYS 53 20.200 1.525 -4.165 657 H ARG 54 H ARG 54 16.689 4.527 -9.590 658 HA ARG 54 HA ARG 54 15.995 2.114 -11.097 659 1HB ARG 54 2HB ARG 54 14.351 4.003 -9.389 660 2HB ARG 54 1HB ARG 54 13.739 2.561 -10.185 661 1HG ARG 54 2HG ARG 54 15.797 2.627 -7.987 662 2HG ARG 54 1HG ARG 54 14.101 2.162 -7.814 663 1HD ARG 54 2HD ARG 54 14.495 0.361 -9.480 664 2HD ARG 54 1HD ARG 54 16.198 0.809 -9.476 665 HE ARG 54 HE ARG 54 15.340 0.281 -6.859 666 1HH1 ARG 54 1HH1 ARG 54 16.357 -1.298 -9.863 667 2HH1 ARG 54 2HH1 ARG 54 16.615 -2.814 -9.158 668 1HH2 ARG 54 1HH2 ARG 54 15.695 -1.821 -5.850 669 2HH2 ARG 54 2HH2 ARG 54 16.210 -3.125 -6.820 670 QB ARG 54 QB ARG 54 14.045 3.282 -9.787 671 QG ARG 54 QG ARG 54 14.949 2.394 -7.900 672 QD ARG 54 QD ARG 54 15.346 0.585 -9.478 673 QH1 ARG 54 QH1 ARG 54 16.486 -2.056 -9.511 674 QH2 ARG 54 QH2 ARG 54 15.952 -2.473 -6.335 675 H TYR 55 H TYR 55 15.683 2.369 -13.124 676 HA TYR 55 HA TYR 55 15.542 5.047 -14.026 677 1HB TYR 55 2HB TYR 55 15.875 2.496 -15.575 678 2HB TYR 55 1HB TYR 55 15.786 4.093 -16.319 679 HD1 TYR 55 1HD TYR 55 17.539 5.760 -15.892 680 HD2 TYR 55 2HD TYR 55 17.852 1.789 -14.405 681 HE1 TYR 55 1HE TYR 55 19.928 6.120 -15.450 682 HE2 TYR 55 2HE TYR 55 20.240 2.136 -13.965 683 HH TYR 55 HH TYR 55 22.030 3.552 -14.687 684 QB TYR 55 QB TYR 55 15.831 3.294 -15.947 685 QD TYR 55 QD TYR 55 17.696 3.775 -15.149 686 QE TYR 55 QE TYR 55 20.084 4.128 -14.708 687 QR TYR 55 QR TYR 55 18.890 3.951 -14.928 688 H SER 56 H SER 56 13.639 5.319 -13.040 689 HA SER 56 HA SER 56 11.367 4.845 -14.856 690 1HB SER 56 2HB SER 56 11.415 6.081 -12.093 691 2HB SER 56 1HB SER 56 9.971 5.711 -13.036 692 HG SER 56 HG SER 56 11.143 3.499 -13.042 693 QB SER 56 QB SER 56 10.693 5.896 -12.565 694 H LEU 57 H LEU 57 13.830 6.821 -14.801 695 HA LEU 57 HA LEU 57 12.687 9.428 -14.632 696 1HB LEU 57 2HB LEU 57 15.351 8.547 -15.746 697 2HB LEU 57 1HB LEU 57 14.852 10.220 -15.664 698 HG LEU 57 HG LEU 57 14.692 9.926 -13.144 699 1HD1 LEU 57 2HD1 LEU 57 14.588 7.513 -13.033 700 2HD1 LEU 57 1HD1 LEU 57 16.209 7.396 -13.719 701 3HD1 LEU 57 3HD1 LEU 57 15.976 8.128 -12.133 702 1HD2 LEU 57 3HD2 LEU 57 17.385 9.585 -14.449 703 2HD2 LEU 57 2HD2 LEU 57 16.527 11.106 -14.193 704 3HD2 LEU 57 1HD2 LEU 57 17.101 10.173 -12.811 705 MD1 LEU 57 QD1 LEU 57 15.591 7.679 -12.961 706 MD2 LEU 57 QD2 LEU 57 17.004 10.288 -13.818 707 QB LEU 57 QB LEU 57 15.101 9.384 -15.705 708 QD LEU 57 QQD LEU 57 16.298 8.983 -13.389 709 H LEU 58 H LEU 58 12.953 7.162 -17.219 710 HA LEU 58 HA LEU 58 12.302 9.213 -19.181 711 1HB LEU 58 2HB LEU 58 12.701 6.224 -19.566 712 2HB LEU 58 1HB LEU 58 12.340 7.358 -20.832 713 HG LEU 58 HG LEU 58 14.614 6.808 -20.993 714 1HD1 LEU 58 1HD1 LEU 58 14.140 9.104 -21.462 715 2HD1 LEU 58 3HD1 LEU 58 14.426 9.537 -19.773 716 3HD1 LEU 58 2HD1 LEU 58 15.753 8.936 -20.768 717 1HD2 LEU 58 1HD2 LEU 58 14.966 7.564 -18.090 718 2HD2 LEU 58 3HD2 LEU 58 15.082 5.941 -18.773 719 3HD2 LEU 58 2HD2 LEU 58 16.277 7.165 -19.198 720 MD1 LEU 58 QD1 LEU 58 14.773 9.192 -20.668 721 MD2 LEU 58 QD2 LEU 58 15.441 6.890 -18.687 722 QB LEU 58 QB LEU 58 12.520 6.791 -20.199 723 QD LEU 58 QQD LEU 58 15.107 8.041 -19.677 724 H GLU 59 H GLU 59 10.811 7.230 -17.043 725 HA GLU 59 HA GLU 59 8.292 6.984 -18.519 726 1HB GLU 59 2HB GLU 59 8.917 6.162 -15.663 727 2HB GLU 59 1HB GLU 59 7.482 5.755 -16.578 728 1HG GLU 59 2HG GLU 59 8.834 4.379 -18.069 729 2HG GLU 59 1HG GLU 59 10.277 4.815 -17.146 730 QB GLU 59 QB GLU 59 8.200 5.959 -16.121 731 QG GLU 59 QG GLU 59 9.555 4.597 -17.607 732 H HIS 60 H HIS 60 8.963 7.832 -15.272 733 HA HIS 60 HA HIS 60 8.114 10.501 -15.232 734 1HB HIS 60 2HB HIS 60 5.876 9.336 -15.619 735 2HB HIS 60 1HB HIS 60 6.113 8.508 -14.089 736 HD1 HIS 60 1HD HIS 60 5.330 11.911 -15.507 737 HD2 HIS 60 2HD HIS 60 5.525 9.995 -11.829 738 HE1 HIS 60 1HE HIS 60 4.232 13.463 -13.857 739 QB HIS 60 QB HIS 60 5.994 8.922 -14.854 740 H HIS 61 H HIS 61 9.260 11.212 -13.549 741 HA HIS 61 HA HIS 61 10.268 9.260 -11.624 742 1HB HIS 61 2HB HIS 61 11.890 10.691 -12.885 743 2HB HIS 61 1HB HIS 61 11.150 12.115 -12.173 744 HD1 HIS 61 1HD HIS 61 11.894 12.741 -9.774 745 HD2 HIS 61 2HD HIS 61 13.463 9.145 -11.134 746 HE1 HIS 61 1HE HIS 61 13.657 12.078 -8.119 747 QB HIS 61 QB HIS 61 11.520 11.403 -12.529 748 H HIS 62 H HIS 62 10.178 9.774 -9.333 749 HA HIS 62 HA HIS 62 8.069 11.680 -8.683 750 1HB HIS 62 2HB HIS 62 8.404 8.897 -7.576 751 2HB HIS 62 1HB HIS 62 7.395 10.133 -6.841 752 HD1 HIS 62 1HD HIS 62 5.094 10.618 -7.982 753 HD2 HIS 62 2HD HIS 62 7.402 7.761 -9.931 754 HE1 HIS 62 1HE HIS 62 3.580 9.507 -9.628 755 QB HIS 62 QB HIS 62 7.899 9.515 -7.209 756 H HIS 63 H HIS 63 8.317 12.871 -6.926 757 HA HIS 63 HA HIS 63 9.305 14.069 -5.335 758 1HB HIS 63 2HB HIS 63 10.951 11.588 -4.752 759 2HB HIS 63 1HB HIS 63 10.936 13.028 -3.755 760 HD1 HIS 63 1HD HIS 63 9.728 9.804 -3.638 761 HD2 HIS 63 2HD HIS 63 7.929 13.488 -3.012 762 HE1 HIS 63 1HE HIS 63 7.689 9.355 -2.188 763 QB HIS 63 QB HIS 63 10.943 12.308 -4.254 764 H HIS 64 H HIS 64 10.289 15.684 -6.241 765 HA HIS 64 HA HIS 64 12.337 15.453 -8.133 766 1HB HIS 64 2HB HIS 64 11.308 17.856 -6.615 767 2HB HIS 64 1HB HIS 64 12.345 17.904 -8.030 768 HD1 HIS 64 1HD HIS 64 8.788 17.448 -7.003 769 HD2 HIS 64 2HD HIS 64 11.083 17.274 -10.454 770 HE1 HIS 64 1HE HIS 64 7.158 17.389 -8.917 771 QB HIS 64 QB HIS 64 11.827 17.880 -7.322 No H/Q in entry = 771 Start of MODEL 13 1 H1 MET 1 2HT MET 1 10.097 -5.146 3.741 2 H2 MET 1 1HT MET 1 9.018 -6.418 3.637 3 H3 MET 1 3HT MET 1 9.856 -6.141 5.066 4 HA MET 1 HA MET 1 11.949 -6.603 4.034 5 1HB MET 1 2HB MET 1 9.886 -8.769 3.662 6 2HB MET 1 1HB MET 1 11.602 -9.039 3.436 7 1HG MET 1 2HG MET 1 10.995 -9.840 5.590 8 2HG MET 1 1HG MET 1 11.959 -8.385 5.800 9 1HE MET 1 1HE MET 1 11.172 -8.341 8.328 10 2HE MET 1 3HE MET 1 9.483 -8.330 8.835 11 3HE MET 1 2HE MET 1 10.163 -9.765 8.073 12 QB MET 1 QB MET 1 10.744 -8.904 3.549 13 QG MET 1 QG MET 1 11.477 -9.112 5.695 14 ME MET 1 QE MET 1 10.273 -8.812 8.412 15 H ASN 2 H ASN 2 9.256 -6.982 1.719 16 HA ASN 2 HA ASN 2 11.174 -6.521 -0.426 17 1HB ASN 2 2HB ASN 2 9.090 -8.703 -0.334 18 2HB ASN 2 1HB ASN 2 9.809 -8.146 -1.832 19 1HD2 ASN 2 1HD2 ASN 2 11.965 -8.637 -2.251 20 2HD2 ASN 2 2HD2 ASN 2 12.791 -9.870 -1.377 21 QB ASN 2 QB ASN 2 9.450 -8.424 -1.083 22 QD ASN 2 QD2 ASN 2 12.378 -9.253 -1.814 23 H VAL 3 H VAL 3 10.489 -4.925 -1.710 24 HA VAL 3 HA VAL 3 7.969 -3.739 -1.257 25 HB VAL 3 HB VAL 3 8.465 -2.218 -3.159 26 1HG1 VAL 3 3HG1 VAL 3 10.677 -2.580 -1.158 27 2HG1 VAL 3 2HG1 VAL 3 10.402 -1.128 -2.114 28 3HG1 VAL 3 1HG1 VAL 3 9.196 -1.653 -0.934 29 1HG2 VAL 3 3HG2 VAL 3 9.728 -3.755 -4.592 30 2HG2 VAL 3 2HG2 VAL 3 10.679 -2.311 -4.241 31 3HG2 VAL 3 1HG2 VAL 3 11.022 -3.818 -3.397 32 MG1 VAL 3 QG1 VAL 3 10.092 -1.787 -1.402 33 MG2 VAL 3 QG2 VAL 3 10.476 -3.295 -4.077 34 QG VAL 3 QQG VAL 3 10.284 -2.541 -2.739 35 H THR 4 H THR 4 9.019 -6.143 -3.499 36 HA THR 4 HA THR 4 6.809 -5.855 -5.219 37 HB THR 4 HB THR 4 8.759 -7.102 -5.990 38 HG1 THR 4 1HG THR 4 7.708 -8.711 -6.983 39 1HG2 THR 4 1HG2 THR 4 9.437 -8.087 -3.853 40 2HG2 THR 4 3HG2 THR 4 8.051 -9.174 -3.915 41 3HG2 THR 4 2HG2 THR 4 9.336 -9.312 -5.115 42 MG THR 4 QG2 THR 4 8.941 -8.858 -4.295 43 H LYS 5 H LYS 5 7.278 -7.635 -2.191 44 HA LYS 5 HA LYS 5 4.708 -8.823 -2.261 45 1HB LYS 5 2HB LYS 5 6.888 -8.585 -0.248 46 2HB LYS 5 1HB LYS 5 5.277 -8.971 0.333 47 1HG LYS 5 2HG LYS 5 6.691 -10.959 -0.054 48 2HG LYS 5 1HG LYS 5 5.192 -10.951 -0.993 49 1HD LYS 5 2HD LYS 5 6.483 -10.194 -2.954 50 2HD LYS 5 1HD LYS 5 7.966 -10.299 -1.994 51 1HE LYS 5 2HE LYS 5 7.642 -12.683 -1.710 52 2HE LYS 5 1HE LYS 5 6.092 -12.600 -2.538 53 1HZ LYS 5 1HZ LYS 5 8.719 -11.983 -3.796 54 2HZ LYS 5 3HZ LYS 5 7.876 -13.424 -3.946 55 3HZ LYS 5 2HZ LYS 5 7.227 -12.018 -4.579 56 QB LYS 5 QB LYS 5 6.083 -8.778 0.042 57 QD LYS 5 QD LYS 5 7.224 -10.246 -2.474 58 QG LYS 5 QG LYS 5 5.942 -10.955 -0.523 59 QE LYS 5 QE LYS 5 6.867 -12.641 -2.124 60 QZ LYS 5 QZ LYS 5 7.941 -12.475 -4.107 61 H LEU 6 H LEU 6 6.013 -5.828 -1.098 62 HA LEU 6 HA LEU 6 3.787 -4.888 0.334 63 1HB LEU 6 2HB LEU 6 6.039 -3.789 0.263 64 2HB LEU 6 1HB LEU 6 5.708 -3.339 -1.396 65 HG LEU 6 HG LEU 6 3.939 -1.811 -0.669 66 1HD1 LEU 6 2HD1 LEU 6 4.690 -2.645 2.127 67 2HD1 LEU 6 1HD1 LEU 6 3.575 -1.351 1.691 68 3HD1 LEU 6 3HD1 LEU 6 3.171 -3.024 1.312 69 1HD2 LEU 6 3HD2 LEU 6 6.524 -1.451 0.831 70 2HD2 LEU 6 2HD2 LEU 6 6.216 -0.984 -0.841 71 3HD2 LEU 6 1HD2 LEU 6 5.349 -0.188 0.471 72 MD1 LEU 6 QD1 LEU 6 3.812 -2.340 1.710 73 MD2 LEU 6 QD2 LEU 6 6.030 -0.875 0.154 74 QB LEU 6 QB LEU 6 5.874 -3.564 -0.566 75 QD LEU 6 QQD LEU 6 4.921 -1.607 0.932 76 H ASN 7 H ASN 7 4.724 -4.524 -3.058 77 HA ASN 7 HA ASN 7 2.491 -3.193 -4.063 78 1HB ASN 7 2HB ASN 7 4.545 -3.491 -5.357 79 2HB ASN 7 1HB ASN 7 4.260 -5.225 -5.445 80 1HD2 ASN 7 1HD2 ASN 7 4.143 -5.363 -7.619 81 2HD2 ASN 7 2HD2 ASN 7 2.908 -4.652 -8.587 82 QB ASN 7 QB ASN 7 4.403 -4.358 -5.401 83 QD ASN 7 QD2 ASN 7 3.525 -5.007 -8.103 84 H ASP 8 H ASP 8 3.108 -6.650 -3.730 85 HA ASP 8 HA ASP 8 0.796 -7.672 -4.919 86 1HB ASP 8 2HB ASP 8 2.745 -9.053 -4.226 87 2HB ASP 8 1HB ASP 8 2.297 -8.807 -2.547 88 QB ASP 8 QB ASP 8 2.521 -8.930 -3.387 89 H ARG 9 H ARG 9 1.399 -6.697 -1.588 90 HA ARG 9 HA ARG 9 -1.147 -7.283 -0.511 91 1HB ARG 9 2HB ARG 9 0.831 -5.157 0.297 92 2HB ARG 9 1HB ARG 9 -0.576 -5.618 1.232 93 1HG ARG 9 2HG ARG 9 0.338 -7.828 1.571 94 2HG ARG 9 1HG ARG 9 1.729 -7.425 0.555 95 1HD ARG 9 2HD ARG 9 2.290 -7.197 2.916 96 2HD ARG 9 1HD ARG 9 2.347 -5.647 2.091 97 HE ARG 9 HE ARG 9 -0.193 -6.162 3.297 98 1HH1 ARG 9 1HH1 ARG 9 3.026 -4.851 3.898 99 2HH1 ARG 9 2HH1 ARG 9 2.554 -3.912 5.236 100 1HH2 ARG 9 1HH2 ARG 9 -0.853 -4.897 5.103 101 2HH2 ARG 9 2HH2 ARG 9 0.284 -3.954 5.969 102 QB ARG 9 QB ARG 9 0.127 -5.388 0.764 103 QG ARG 9 QG ARG 9 1.033 -7.626 1.063 104 QD ARG 9 QD ARG 9 2.319 -6.422 2.504 105 QH1 ARG 9 QH1 ARG 9 2.790 -4.382 4.567 106 QH2 ARG 9 QH2 ARG 9 -0.285 -4.425 5.536 107 H ILE 10 H ILE 10 0.183 -4.392 -2.002 108 HA ILE 10 HA ILE 10 -2.014 -2.692 -1.566 109 HB ILE 10 HB ILE 10 0.020 -2.593 -3.819 110 1HG1 ILE 10 2HG1 ILE 10 -0.029 -1.134 -1.182 111 2HG1 ILE 10 1HG1 ILE 10 0.937 -2.566 -1.500 112 1HG2 ILE 10 1HG2 ILE 10 -1.972 -1.226 -4.297 113 2HG2 ILE 10 3HG2 ILE 10 -1.790 -0.416 -2.740 114 3HG2 ILE 10 2HG2 ILE 10 -0.561 -0.215 -3.991 115 1HD1 ILE 10 1HD1 ILE 10 1.169 0.065 -2.919 116 2HD1 ILE 10 3HD1 ILE 10 2.249 -0.529 -1.663 117 3HD1 ILE 10 2HD1 ILE 10 2.165 -1.359 -3.215 118 MG ILE 10 QG2 ILE 10 -1.441 -0.619 -3.676 119 MD ILE 10 QD1 ILE 10 1.861 -0.608 -2.599 120 QG ILE 10 QG1 ILE 10 0.454 -1.850 -1.341 121 H GLU 11 H GLU 11 -1.220 -4.847 -4.237 122 HA GLU 11 HA GLU 11 -3.402 -4.124 -5.862 123 1HB GLU 11 2HB GLU 11 -1.354 -5.426 -6.569 124 2HB GLU 11 1HB GLU 11 -2.069 -6.821 -5.785 125 1HG GLU 11 2HG GLU 11 -3.995 -6.697 -7.265 126 2HG GLU 11 1HG GLU 11 -3.297 -5.288 -8.060 127 QB GLU 11 QB GLU 11 -1.712 -6.123 -6.177 128 QG GLU 11 QG GLU 11 -3.646 -5.993 -7.663 129 H ALA 12 H ALA 12 -2.973 -6.579 -3.407 130 HA ALA 12 HA ALA 12 -5.534 -7.755 -3.627 131 1HB ALA 12 1HB ALA 12 -3.647 -8.857 -2.536 132 2HB ALA 12 2HB ALA 12 -5.033 -8.751 -1.448 133 3HB ALA 12 3HB ALA 12 -3.669 -7.647 -1.259 134 MB ALA 12 QB ALA 12 -4.116 -8.419 -1.748 135 H LYS 13 H LYS 13 -4.359 -4.880 -2.172 136 HA LYS 13 HA LYS 13 -6.538 -4.517 -0.339 137 1HB LYS 13 2HB LYS 13 -4.235 -3.556 0.009 138 2HB LYS 13 1HB LYS 13 -4.540 -2.465 -1.329 139 1HG LYS 13 2HG LYS 13 -4.883 -1.304 0.756 140 2HG LYS 13 1HG LYS 13 -6.436 -1.499 -0.062 141 1HD LYS 13 2HD LYS 13 -6.941 -3.433 1.350 142 2HD LYS 13 1HD LYS 13 -5.381 -3.246 2.150 143 1HE LYS 13 2HE LYS 13 -6.080 -1.059 2.979 144 2HE LYS 13 1HE LYS 13 -7.625 -1.235 2.147 145 1HZ LYS 13 2HZ LYS 13 -8.030 -3.233 3.489 146 2HZ LYS 13 1HZ LYS 13 -6.607 -2.996 4.301 147 3HZ LYS 13 3HZ LYS 13 -7.856 -1.884 4.495 148 QB LYS 13 QB LYS 13 -4.387 -3.010 -0.660 149 QD LYS 13 QD LYS 13 -6.161 -3.340 1.750 150 QG LYS 13 QG LYS 13 -5.659 -1.401 0.347 151 QE LYS 13 QE LYS 13 -6.852 -1.147 2.563 152 QZ LYS 13 QZ LYS 13 -7.498 -2.704 4.095 153 H LYS 14 H LYS 14 -5.656 -3.549 -3.545 154 HA LYS 14 HA LYS 14 -7.689 -1.667 -4.076 155 1HB LYS 14 2HB LYS 14 -6.336 -3.600 -5.965 156 2HB LYS 14 1HB LYS 14 -7.295 -2.213 -6.452 157 1HG LYS 14 2HG LYS 14 -5.669 -0.707 -5.532 158 2HG LYS 14 1HG LYS 14 -4.747 -2.057 -4.855 159 1HD LYS 14 2HD LYS 14 -4.355 -2.904 -7.061 160 2HD LYS 14 1HD LYS 14 -5.281 -1.578 -7.783 161 1HE LYS 14 2HE LYS 14 -3.632 0.000 -6.739 162 2HE LYS 14 1HE LYS 14 -2.694 -1.407 -6.239 163 1HZ LYS 14 3HZ LYS 14 -3.355 -0.712 -9.046 164 2HZ LYS 14 2HZ LYS 14 -1.865 -0.451 -8.314 165 3HZ LYS 14 1HZ LYS 14 -2.418 -2.019 -8.554 166 QB LYS 14 QB LYS 14 -6.816 -2.906 -6.209 167 QD LYS 14 QD LYS 14 -4.818 -2.241 -7.422 168 QG LYS 14 QG LYS 14 -5.208 -1.382 -5.194 169 QE LYS 14 QE LYS 14 -3.163 -0.703 -6.489 170 QZ LYS 14 QZ LYS 14 -2.546 -1.060 -8.638 171 H LYS 15 H LYS 15 -7.461 -5.135 -4.634 172 HA LYS 15 HA LYS 15 -10.058 -5.503 -5.706 173 1HB LYS 15 2HB LYS 15 -8.401 -7.526 -4.191 174 2HB LYS 15 1HB LYS 15 -9.713 -7.874 -5.303 175 1HG LYS 15 2HG LYS 15 -7.042 -6.670 -6.000 176 2HG LYS 15 1HG LYS 15 -7.577 -8.314 -6.335 177 1HD LYS 15 2HD LYS 15 -9.356 -7.411 -7.788 178 2HD LYS 15 1HD LYS 15 -8.758 -5.778 -7.472 179 1HE LYS 15 2HE LYS 15 -7.893 -6.566 -9.595 180 2HE LYS 15 1HE LYS 15 -6.582 -6.417 -8.426 181 1HZ LYS 15 2HZ LYS 15 -6.714 -8.817 -8.048 182 2HZ LYS 15 1HZ LYS 15 -7.953 -8.922 -9.178 183 3HZ LYS 15 3HZ LYS 15 -6.413 -8.473 -9.677 184 QB LYS 15 QB LYS 15 -9.057 -7.700 -4.747 185 QD LYS 15 QD LYS 15 -9.057 -6.595 -7.630 186 QG LYS 15 QG LYS 15 -7.309 -7.492 -6.167 187 QE LYS 15 QE LYS 15 -7.238 -6.492 -9.010 188 QZ LYS 15 QZ LYS 15 -7.027 -8.737 -8.968 189 H GLU 16 H GLU 16 -8.826 -5.322 -2.502 190 HA GLU 16 HA GLU 16 -11.016 -6.499 -1.116 191 1HB GLU 16 2HB GLU 16 -8.673 -6.210 -0.234 192 2HB GLU 16 1HB GLU 16 -8.987 -4.490 -0.135 193 1HG GLU 16 2HG GLU 16 -10.807 -4.948 1.457 194 2HG GLU 16 1HG GLU 16 -10.390 -6.659 1.394 195 QB GLU 16 QB GLU 16 -8.830 -5.350 -0.185 196 QG GLU 16 QG GLU 16 -10.599 -5.803 1.425 197 H LEU 17 H LEU 17 -9.939 -3.243 -1.862 198 HA LEU 17 HA LEU 17 -12.139 -1.859 -0.768 199 1HB LEU 17 2HB LEU 17 -9.815 -1.259 -2.374 200 2HB LEU 17 1HB LEU 17 -11.191 -0.286 -2.819 201 HG LEU 17 HG LEU 17 -9.958 -0.486 -0.057 202 1HD1 LEU 17 1HD1 LEU 17 -9.946 1.740 -2.087 203 2HD1 LEU 17 3HD1 LEU 17 -9.322 1.832 -0.442 204 3HD1 LEU 17 2HD1 LEU 17 -8.568 0.743 -1.608 205 1HD2 LEU 17 2HD2 LEU 17 -12.240 1.203 -1.073 206 2HD2 LEU 17 1HD2 LEU 17 -12.359 -0.086 0.120 207 3HD2 LEU 17 3HD2 LEU 17 -11.471 1.391 0.497 208 MD1 LEU 17 QD1 LEU 17 -9.279 1.438 -1.379 209 MD2 LEU 17 QD2 LEU 17 -12.023 0.836 -0.152 210 QB LEU 17 QB LEU 17 -10.503 -0.773 -2.597 211 QD LEU 17 QQD LEU 17 -10.651 1.137 -0.765 212 H ILE 18 H ILE 18 -11.629 -3.221 -3.961 213 HA ILE 18 HA ILE 18 -13.935 -2.092 -5.126 214 HB ILE 18 HB ILE 18 -12.666 -4.794 -5.721 215 1HG1 ILE 18 2HG1 ILE 18 -12.298 -2.133 -7.113 216 2HG1 ILE 18 1HG1 ILE 18 -11.138 -2.863 -6.011 217 1HG2 ILE 18 1HG2 ILE 18 -14.950 -4.683 -6.566 218 2HG2 ILE 18 3HG2 ILE 18 -14.591 -3.163 -7.385 219 3HG2 ILE 18 2HG2 ILE 18 -13.799 -4.656 -7.901 220 1HD1 ILE 18 2HD1 ILE 18 -10.869 -4.738 -7.566 221 2HD1 ILE 18 1HD1 ILE 18 -12.017 -3.975 -8.664 222 3HD1 ILE 18 3HD1 ILE 18 -10.474 -3.192 -8.318 223 MG ILE 18 QG2 ILE 18 -14.447 -4.167 -7.284 224 MD ILE 18 QD1 ILE 18 -11.120 -3.968 -8.183 225 QG ILE 18 QG1 ILE 18 -11.718 -2.498 -6.562 226 H TYR 19 H TYR 19 -13.432 -5.146 -3.458 227 HA TYR 19 HA TYR 19 -16.079 -6.043 -3.559 228 1HB TYR 19 2HB TYR 19 -14.227 -7.543 -3.082 229 2HB TYR 19 1HB TYR 19 -13.863 -6.669 -1.599 230 HD1 TYR 19 1HD TYR 19 -14.881 -7.275 0.415 231 HD2 TYR 19 2HD TYR 19 -16.469 -8.722 -3.250 232 HE1 TYR 19 1HE TYR 19 -16.403 -8.732 1.659 233 HE2 TYR 19 2HE TYR 19 -17.994 -10.191 -2.011 234 HH TYR 19 HH TYR 19 -18.511 -9.814 1.310 235 QB TYR 19 QB TYR 19 -14.045 -7.106 -2.341 236 QD TYR 19 QD TYR 19 -15.675 -7.999 -1.418 237 QE TYR 19 QE TYR 19 -17.198 -9.461 -0.176 238 QR TYR 19 QR TYR 19 -16.437 -8.730 -0.797 239 H LEU 20 H LEU 20 -14.315 -4.361 -0.972 240 HA LEU 20 HA LEU 20 -16.494 -4.289 0.804 241 1HB LEU 20 2HB LEU 20 -13.993 -2.631 0.754 242 2HB LEU 20 1HB LEU 20 -15.175 -2.590 2.046 243 HG LEU 20 HG LEU 20 -13.535 -4.992 1.239 244 1HD1 LEU 20 1HD1 LEU 20 -12.215 -3.271 2.341 245 2HD1 LEU 20 3HD1 LEU 20 -13.373 -3.216 3.668 246 3HD1 LEU 20 2HD1 LEU 20 -12.427 -4.675 3.386 247 1HD2 LEU 20 1HD2 LEU 20 -15.548 -4.607 3.452 248 2HD2 LEU 20 3HD2 LEU 20 -15.692 -5.699 2.073 249 3HD2 LEU 20 2HD2 LEU 20 -14.470 -5.996 3.307 250 MD1 LEU 20 QD1 LEU 20 -12.672 -3.721 3.132 251 MD2 LEU 20 QD2 LEU 20 -15.237 -5.434 2.944 252 QB LEU 20 QB LEU 20 -14.584 -2.610 1.400 253 QD LEU 20 QQD LEU 20 -13.954 -4.577 3.038 254 H VAL 21 H VAL 21 -15.479 -1.981 -1.668 255 HA VAL 21 HA VAL 21 -17.136 0.079 -0.684 256 HB VAL 21 HB VAL 21 -15.225 0.278 -2.355 257 1HG1 VAL 21 2HG1 VAL 21 -17.264 -0.494 -4.376 258 2HG1 VAL 21 1HG1 VAL 21 -15.742 0.336 -4.738 259 3HG1 VAL 21 3HG1 VAL 21 -15.716 -1.255 -3.983 260 1HG2 VAL 21 1HG2 VAL 21 -16.513 2.205 -1.712 261 2HG2 VAL 21 3HG2 VAL 21 -16.142 2.294 -3.436 262 3HG2 VAL 21 2HG2 VAL 21 -17.753 1.803 -2.908 263 MG1 VAL 21 QG1 VAL 21 -16.241 -0.471 -4.365 264 MG2 VAL 21 QG2 VAL 21 -16.803 2.101 -2.686 265 QG VAL 21 QQG VAL 21 -16.522 0.815 -3.526 266 H GLU 22 H GLU 22 -17.618 -2.459 -2.950 267 HA GLU 22 HA GLU 22 -20.280 -1.717 -3.627 268 1HB GLU 22 2HB GLU 22 -19.060 -4.463 -3.775 269 2HB GLU 22 1HB GLU 22 -20.564 -3.963 -4.539 270 1HG GLU 22 2HG GLU 22 -19.232 -2.289 -5.837 271 2HG GLU 22 1HG GLU 22 -17.778 -3.039 -5.177 272 QB GLU 22 QB GLU 22 -19.812 -4.213 -4.157 273 QG GLU 22 QG GLU 22 -18.505 -2.664 -5.507 274 H LYS 23 H LYS 23 -18.989 -3.746 -1.078 275 HA LYS 23 HA LYS 23 -21.577 -4.742 -0.291 276 1HB LYS 23 2HB LYS 23 -18.975 -4.911 1.228 277 2HB LYS 23 1HB LYS 23 -20.434 -5.816 1.588 278 1HG LYS 23 2HG LYS 23 -18.778 -6.062 -0.919 279 2HG LYS 23 1HG LYS 23 -18.743 -7.172 0.441 280 1HD LYS 23 2HD LYS 23 -21.180 -6.626 -1.269 281 2HD LYS 23 1HD LYS 23 -20.070 -7.966 -1.512 282 1HE LYS 23 2HE LYS 23 -20.603 -8.777 0.770 283 2HE LYS 23 1HE LYS 23 -21.775 -7.469 0.932 284 1HZ LYS 23 1HZ LYS 23 -22.968 -8.403 -0.984 285 2HZ LYS 23 3HZ LYS 23 -21.876 -9.687 -1.053 286 3HZ LYS 23 2HZ LYS 23 -22.875 -9.481 0.289 287 QB LYS 23 QB LYS 23 -19.704 -5.364 1.408 288 QD LYS 23 QD LYS 23 -20.625 -7.296 -1.390 289 QG LYS 23 QG LYS 23 -18.761 -6.617 -0.239 290 QE LYS 23 QE LYS 23 -21.189 -8.123 0.851 291 QZ LYS 23 QZ LYS 23 -22.573 -9.190 -0.583 292 H TYR 24 H TYR 24 -19.409 -2.228 0.957 293 HA TYR 24 HA TYR 24 -21.220 -1.688 3.154 294 1HB TYR 24 2HB TYR 24 -18.655 -0.356 2.292 295 2HB TYR 24 1HB TYR 24 -19.627 0.218 3.651 296 HD1 TYR 24 1HD TYR 24 -16.678 -1.073 3.138 297 HD2 TYR 24 2HD TYR 24 -20.296 -2.342 4.978 298 HE1 TYR 24 1HE TYR 24 -15.405 -2.589 4.585 299 HE2 TYR 24 2HE TYR 24 -19.028 -3.862 6.429 300 HH TYR 24 HH TYR 24 -16.874 -5.018 6.404 301 QB TYR 24 QB TYR 24 -19.141 -0.069 2.971 302 QD TYR 24 QD TYR 24 -18.487 -1.708 4.058 303 QE TYR 24 QE TYR 24 -17.216 -3.226 5.507 304 QR TYR 24 QR TYR 24 -17.852 -2.467 4.783 305 H GLY 25 H GLY 25 -20.228 -0.119 0.149 306 1HA GLY 25 1HA GLY 25 -22.272 1.915 0.607 307 2HA GLY 25 2HA GLY 25 -22.249 0.984 -0.890 308 QA GLY 25 QA GLY 25 -22.260 1.449 -0.142 309 H PHE 26 H PHE 26 -21.800 2.716 -2.183 310 HA PHE 26 HA PHE 26 -19.041 3.396 -2.398 311 1HB PHE 26 2HB PHE 26 -21.445 4.450 -3.912 312 2HB PHE 26 1HB PHE 26 -19.764 4.776 -4.326 313 HD1 PHE 26 1HD PHE 26 -22.459 2.347 -4.452 314 HD2 PHE 26 2HD PHE 26 -18.323 2.982 -5.169 315 HE1 PHE 26 1HE PHE 26 -22.387 0.291 -5.804 316 HE2 PHE 26 2HE PHE 26 -18.235 0.932 -6.524 317 HZ PHE 26 HZ PHE 26 -20.270 -0.422 -6.840 318 QB PHE 26 QB PHE 26 -20.605 4.613 -4.119 319 QD PHE 26 QD PHE 26 -20.391 2.665 -4.811 320 QE PHE 26 QE PHE 26 -20.311 0.612 -6.164 321 QR PHE 26 QR PHE 26 -20.335 1.226 -5.758 322 H THR 27 H THR 27 -18.018 5.110 -1.709 323 HA THR 27 HA THR 27 -17.476 6.792 -0.379 324 HB THR 27 HB THR 27 -20.251 7.932 -0.854 325 HG1 THR 27 1HG THR 27 -18.223 7.453 -2.559 326 1HG2 THR 27 1HG2 THR 27 -17.595 9.257 -0.238 327 2HG2 THR 27 3HG2 THR 27 -19.119 10.096 -0.520 328 3HG2 THR 27 2HG2 THR 27 -18.929 9.061 0.897 329 MG THR 27 QG2 THR 27 -18.548 9.471 0.046 330 H HIS 28 H HIS 28 -17.304 5.457 1.317 331 HA HIS 28 HA HIS 28 -19.328 5.699 3.391 332 1HB HIS 28 2HB HIS 28 -19.598 3.474 2.328 333 2HB HIS 28 1HB HIS 28 -17.887 3.163 2.518 334 HD1 HIS 28 1HD HIS 28 -21.122 3.145 4.420 335 HD2 HIS 28 2HD HIS 28 -17.098 2.392 5.049 336 HE1 HIS 28 1HE HIS 28 -20.981 1.923 6.609 337 QB HIS 28 QB HIS 28 -18.742 3.319 2.423 338 H HIS 29 H HIS 29 -18.366 5.854 5.453 339 HA HIS 29 HA HIS 29 -15.947 7.199 5.499 340 1HB HIS 29 2HB HIS 29 -16.048 7.125 7.978 341 2HB HIS 29 1HB HIS 29 -17.566 7.601 7.252 342 HD1 HIS 29 1HD HIS 29 -19.630 6.114 7.801 343 HD2 HIS 29 2HD HIS 29 -16.026 4.585 9.208 344 HE1 HIS 29 1HE HIS 29 -20.230 4.218 9.323 345 QB HIS 29 QB HIS 29 -16.807 7.363 7.615 346 H LYS 30 H LYS 30 -16.459 3.780 6.164 347 HA LYS 30 HA LYS 30 -13.794 3.361 7.076 348 1HB LYS 30 2HB LYS 30 -15.727 1.293 6.013 349 2HB LYS 30 1HB LYS 30 -14.215 0.960 6.826 350 1HG LYS 30 2HG LYS 30 -15.073 2.070 8.848 351 2HG LYS 30 1HG LYS 30 -16.613 2.318 8.022 352 1HD LYS 30 2HD LYS 30 -16.852 -0.103 7.750 353 2HD LYS 30 1HD LYS 30 -15.319 -0.347 8.584 354 1HE LYS 30 2HE LYS 30 -17.143 -0.719 10.124 355 2HE LYS 30 1HE LYS 30 -16.269 0.739 10.586 356 1HZ LYS 30 3HZ LYS 30 -18.824 0.649 9.077 357 2HZ LYS 30 2HZ LYS 30 -18.684 0.976 10.703 358 3HZ LYS 30 1HZ LYS 30 -18.052 2.067 9.574 359 QB LYS 30 QB LYS 30 -14.971 1.126 6.419 360 QD LYS 30 QD LYS 30 -16.085 -0.225 8.167 361 QG LYS 30 QG LYS 30 -15.843 2.194 8.435 362 QE LYS 30 QE LYS 30 -16.706 0.010 10.355 363 QZ LYS 30 QZ LYS 30 -18.520 1.231 9.785 364 H VAL 31 H VAL 31 -15.297 3.088 3.889 365 HA VAL 31 HA VAL 31 -13.008 1.825 2.800 366 HB VAL 31 HB VAL 31 -13.902 2.136 0.595 367 1HG1 VAL 31 1HG1 VAL 31 -16.049 1.359 2.547 368 2HG1 VAL 31 3HG1 VAL 31 -16.088 1.011 0.821 369 3HG1 VAL 31 2HG1 VAL 31 -14.825 0.309 1.832 370 1HG2 VAL 31 2HG2 VAL 31 -16.003 3.915 1.824 371 2HG2 VAL 31 1HG2 VAL 31 -14.749 4.397 0.689 372 3HG2 VAL 31 3HG2 VAL 31 -16.044 3.318 0.163 373 MG1 VAL 31 QG1 VAL 31 -15.654 0.893 1.733 374 MG2 VAL 31 QG2 VAL 31 -15.599 3.877 0.892 375 QG VAL 31 QQG VAL 31 -15.626 2.385 1.312 376 H ILE 32 H ILE 32 -13.960 5.099 3.166 377 HA ILE 32 HA ILE 32 -11.970 6.313 1.591 378 HB ILE 32 HB ILE 32 -13.268 7.345 4.143 379 1HG1 ILE 32 2HG1 ILE 32 -13.939 7.902 1.243 380 2HG1 ILE 32 1HG1 ILE 32 -14.848 6.833 2.303 381 1HG2 ILE 32 2HG2 ILE 32 -11.722 8.863 2.036 382 2HG2 ILE 32 1HG2 ILE 32 -12.599 9.589 3.382 383 3HG2 ILE 32 3HG2 ILE 32 -11.202 8.559 3.694 384 1HD1 ILE 32 2HD1 ILE 32 -15.417 8.748 3.719 385 2HD1 ILE 32 1HD1 ILE 32 -14.503 9.807 2.644 386 3HD1 ILE 32 3HD1 ILE 32 -15.948 8.982 2.055 387 MG ILE 32 QG2 ILE 32 -11.841 9.004 3.037 388 MD ILE 32 QD1 ILE 32 -15.289 9.179 2.806 389 QG ILE 32 QG1 ILE 32 -14.394 7.367 1.773 390 H SER 33 H SER 33 -11.968 5.235 4.986 391 HA SER 33 HA SER 33 -9.361 6.062 5.614 392 1HB SER 33 2HB SER 33 -10.917 3.726 6.748 393 2HB SER 33 1HB SER 33 -9.583 4.581 7.530 394 HG SER 33 HG SER 33 -10.967 6.496 7.250 395 QB SER 33 QB SER 33 -10.250 4.153 7.139 396 H PHE 34 H PHE 34 -10.638 3.040 4.265 397 HA PHE 34 HA PHE 34 -8.171 1.639 4.266 398 1HB PHE 34 2HB PHE 34 -10.535 1.210 2.418 399 2HB PHE 34 1HB PHE 34 -9.229 0.067 2.686 400 HD1 PHE 34 1HD PHE 34 -12.326 -0.174 3.008 401 HD2 PHE 34 2HD PHE 34 -9.133 0.455 5.751 402 HE1 PHE 34 1HE PHE 34 -13.677 -1.164 4.802 403 HE2 PHE 34 2HE PHE 34 -10.477 -0.541 7.546 404 HZ PHE 34 HZ PHE 34 -12.754 -1.354 7.072 405 QB PHE 34 QB PHE 34 -9.882 0.638 2.552 406 QD PHE 34 QD PHE 34 -10.729 0.140 4.380 407 QE PHE 34 QE PHE 34 -12.077 -0.853 6.174 408 QR PHE 34 QR PHE 34 -11.673 -0.556 5.636 409 H SER 35 H SER 35 -9.740 3.739 1.944 410 HA SER 35 HA SER 35 -7.987 3.348 -0.203 411 1HB SER 35 2HB SER 35 -10.221 4.395 -0.416 412 2HB SER 35 1HB SER 35 -9.645 5.787 0.495 413 HG SER 35 HG SER 35 -9.661 5.909 -1.857 414 QB SER 35 QB SER 35 -9.933 5.091 0.039 415 H GLN 36 H GLN 36 -7.936 5.669 2.450 416 HA GLN 36 HA GLN 36 -5.667 7.058 1.560 417 1HB GLN 36 2HB GLN 36 -6.834 6.745 4.322 418 2HB GLN 36 1HB GLN 36 -5.485 7.813 3.959 419 1HG GLN 36 2HG GLN 36 -6.844 9.073 2.420 420 2HG GLN 36 1HG GLN 36 -8.191 7.966 2.658 421 1HE2 GLN 36 1HE2 GLN 36 -9.474 9.653 3.300 422 2HE2 GLN 36 2HE2 GLN 36 -9.361 10.395 4.856 423 QB GLN 36 QB GLN 36 -6.159 7.279 4.140 424 QG GLN 36 QG GLN 36 -7.517 8.520 2.539 425 QE GLN 36 QE2 GLN 36 -9.417 10.024 4.078 426 H GLU 37 H GLU 37 -5.998 4.167 3.465 427 HA GLU 37 HA GLU 37 -3.244 3.920 4.105 428 1HB GLU 37 2HB GLU 37 -5.545 2.011 4.103 429 2HB GLU 37 1HB GLU 37 -3.907 1.410 4.329 430 1HG GLU 37 2HG GLU 37 -5.155 3.564 6.008 431 2HG GLU 37 1HG GLU 37 -5.144 1.849 6.436 432 QB GLU 37 QB GLU 37 -4.726 1.711 4.216 433 QG GLU 37 QG GLU 37 -5.150 2.707 6.222 434 H LEU 38 H LEU 38 -5.230 2.536 1.541 435 HA LEU 38 HA LEU 38 -3.240 1.070 0.223 436 1HB LEU 38 2HB LEU 38 -5.727 0.987 -0.198 437 2HB LEU 38 1HB LEU 38 -5.602 2.521 -1.014 438 HG LEU 38 HG LEU 38 -4.245 -0.014 -2.001 439 1HD1 LEU 38 3HD1 LEU 38 -6.658 -0.309 -1.931 440 2HD1 LEU 38 2HD1 LEU 38 -6.867 1.199 -2.828 441 3HD1 LEU 38 1HD1 LEU 38 -6.074 -0.177 -3.589 442 1HD2 LEU 38 1HD2 LEU 38 -3.294 2.081 -2.905 443 2HD2 LEU 38 3HD2 LEU 38 -4.142 1.160 -4.146 444 3HD2 LEU 38 2HD2 LEU 38 -4.904 2.579 -3.426 445 MD1 LEU 38 QD1 LEU 38 -6.533 0.238 -2.783 446 MD2 LEU 38 QD2 LEU 38 -4.113 1.940 -3.492 447 QB LEU 38 QB LEU 38 -5.665 1.754 -0.606 448 QD LEU 38 QQD LEU 38 -5.323 1.089 -3.138 449 H ASP 39 H ASP 39 -4.255 4.398 -0.057 450 HA ASP 39 HA ASP 39 -2.644 5.221 -2.207 451 1HB ASP 39 2HB ASP 39 -4.577 6.481 -1.332 452 2HB ASP 39 1HB ASP 39 -3.664 6.837 0.128 453 QB ASP 39 QB ASP 39 -4.120 6.659 -0.602 454 H ARG 40 H ARG 40 -2.083 5.176 1.266 455 HA ARG 40 HA ARG 40 0.411 6.510 1.190 456 1HB ARG 40 2HB ARG 40 -0.969 6.395 3.223 457 2HB ARG 40 1HB ARG 40 -0.714 4.661 3.302 458 1HG ARG 40 2HG ARG 40 1.669 5.013 3.645 459 2HG ARG 40 1HG ARG 40 1.429 6.759 3.535 460 1HD ARG 40 2HD ARG 40 1.594 6.032 5.864 461 2HD ARG 40 1HD ARG 40 0.009 6.704 5.505 462 HE ARG 40 HE ARG 40 -0.949 4.599 5.766 463 1HH1 ARG 40 1HH1 ARG 40 2.596 4.327 6.051 464 2HH1 ARG 40 2HH1 ARG 40 2.533 2.824 6.846 465 1HH2 ARG 40 1HH2 ARG 40 -1.017 2.587 6.815 466 2HH2 ARG 40 2HH2 ARG 40 0.417 1.796 7.285 467 QB ARG 40 QB ARG 40 -0.841 5.528 3.262 468 QG ARG 40 QG ARG 40 1.549 5.886 3.590 469 QD ARG 40 QD ARG 40 0.802 6.368 5.685 470 QH1 ARG 40 QH1 ARG 40 2.564 3.575 6.448 471 QH2 ARG 40 QH2 ARG 40 -0.300 2.192 7.050 472 H LEU 41 H LEU 41 -0.490 3.078 1.267 473 HA LEU 41 HA LEU 41 2.191 2.169 1.238 474 1HB LEU 41 2HB LEU 41 -0.421 0.800 0.671 475 2HB LEU 41 1HB LEU 41 1.078 -0.004 0.279 476 HG LEU 41 HG LEU 41 1.753 0.082 2.653 477 1HD1 LEU 41 2HD1 LEU 41 -0.982 1.222 3.154 478 2HD1 LEU 41 1HD1 LEU 41 0.139 0.655 4.389 479 3HD1 LEU 41 3HD1 LEU 41 0.557 2.047 3.389 480 1HD2 LEU 41 1HD2 LEU 41 0.636 -1.884 1.791 481 2HD2 LEU 41 3HD2 LEU 41 0.172 -1.594 3.466 482 3HD2 LEU 41 2HD2 LEU 41 -0.937 -1.175 2.159 483 MD1 LEU 41 QD1 LEU 41 -0.095 1.308 3.644 484 MD2 LEU 41 QD2 LEU 41 -0.043 -1.551 2.472 485 QB LEU 41 QB LEU 41 0.329 0.398 0.475 486 QD LEU 41 QQD LEU 41 -0.069 -0.121 3.058 487 H LEU 42 H LEU 42 -0.098 2.908 -1.294 488 HA LEU 42 HA LEU 42 1.385 2.064 -3.530 489 1HB LEU 42 2HB LEU 42 -0.926 2.827 -3.692 490 2HB LEU 42 1HB LEU 42 -0.449 4.436 -3.192 491 HG LEU 42 HG LEU 42 0.952 4.562 -5.268 492 1HD1 LEU 42 1HD1 LEU 42 1.169 2.221 -5.743 493 2HD1 LEU 42 3HD1 LEU 42 -0.567 2.084 -6.029 494 3HD1 LEU 42 2HD1 LEU 42 0.434 3.064 -7.103 495 1HD2 LEU 42 3HD2 LEU 42 -2.034 4.256 -5.559 496 2HD2 LEU 42 2HD2 LEU 42 -1.133 5.710 -5.112 497 3HD2 LEU 42 1HD2 LEU 42 -0.965 5.042 -6.730 498 MD1 LEU 42 QD1 LEU 42 0.345 2.456 -6.291 499 MD2 LEU 42 QD2 LEU 42 -1.377 5.003 -5.800 500 QB LEU 42 QB LEU 42 -0.687 3.632 -3.442 501 QD LEU 42 QQD LEU 42 -0.516 3.730 -6.046 502 H ASN 43 H ASN 43 1.386 5.024 -1.671 503 HA ASN 43 HA ASN 43 3.225 6.458 -3.210 504 1HB ASN 43 2HB ASN 43 1.723 7.402 -1.438 505 2HB ASN 43 1HB ASN 43 2.806 6.716 -0.234 506 1HD2 ASN 43 1HD2 ASN 43 3.696 8.205 -3.295 507 2HD2 ASN 43 2HD2 ASN 43 4.570 9.520 -2.618 508 QB ASN 43 QB ASN 43 2.264 7.059 -0.836 509 QD ASN 43 QD2 ASN 43 4.133 8.862 -2.956 510 H LEU 44 H LEU 44 3.627 4.120 -0.624 511 HA LEU 44 HA LEU 44 6.329 4.442 -0.048 512 1HB LEU 44 2HB LEU 44 4.582 2.013 -0.032 513 2HB LEU 44 1HB LEU 44 6.234 1.906 0.504 514 HG LEU 44 HG LEU 44 4.042 3.583 1.753 515 1HD1 LEU 44 3HD1 LEU 44 3.832 1.156 2.136 516 2HD1 LEU 44 2HD1 LEU 44 5.481 1.129 2.757 517 3HD1 LEU 44 1HD1 LEU 44 4.234 2.028 3.617 518 1HD2 LEU 44 1HD2 LEU 44 6.923 3.198 2.571 519 2HD2 LEU 44 3HD2 LEU 44 6.192 4.701 1.999 520 3HD2 LEU 44 2HD2 LEU 44 5.691 3.999 3.535 521 MD1 LEU 44 QD1 LEU 44 4.516 1.438 2.837 522 MD2 LEU 44 QD2 LEU 44 6.269 3.966 2.702 523 QB LEU 44 QB LEU 44 5.408 1.960 0.236 524 QD LEU 44 QQD LEU 44 5.392 2.702 2.769 525 H LEU 45 H LEU 45 4.832 2.558 -2.638 526 HA LEU 45 HA LEU 45 7.182 1.351 -3.624 527 1HB LEU 45 2HB LEU 45 4.742 2.221 -5.178 528 2HB LEU 45 1HB LEU 45 5.983 1.144 -5.771 529 HG LEU 45 HG LEU 45 4.069 0.570 -3.510 530 1HD1 LEU 45 3HD1 LEU 45 4.246 -0.496 -6.326 531 2HD1 LEU 45 2HD1 LEU 45 3.147 -1.086 -5.084 532 3HD1 LEU 45 1HD1 LEU 45 2.998 0.566 -5.685 533 1HD2 LEU 45 3HD2 LEU 45 6.185 -1.183 -4.780 534 2HD2 LEU 45 2HD2 LEU 45 6.226 -0.529 -3.141 535 3HD2 LEU 45 1HD2 LEU 45 4.995 -1.706 -3.587 536 MD1 LEU 45 QD1 LEU 45 3.464 -0.339 -5.698 537 MD2 LEU 45 QD2 LEU 45 5.802 -1.140 -3.836 538 QB LEU 45 QB LEU 45 5.362 1.683 -5.474 539 QD LEU 45 QQD LEU 45 4.633 -0.739 -4.767 540 H ILE 46 H ILE 46 5.719 4.440 -4.239 541 HA ILE 46 HA ILE 46 7.512 5.270 -6.311 542 HB ILE 46 HB ILE 46 5.840 7.037 -4.501 543 1HG1 ILE 46 2HG1 ILE 46 5.010 5.762 -7.118 544 2HG1 ILE 46 1HG1 ILE 46 4.480 5.204 -5.537 545 1HG2 ILE 46 1HG2 ILE 46 7.496 8.202 -5.884 546 2HG2 ILE 46 3HG2 ILE 46 6.848 7.424 -7.330 547 3HG2 ILE 46 2HG2 ILE 46 5.857 8.567 -6.424 548 1HD1 ILE 46 3HD1 ILE 46 3.433 7.423 -5.180 549 2HD1 ILE 46 2HD1 ILE 46 3.907 7.850 -6.824 550 3HD1 ILE 46 1HD1 ILE 46 2.764 6.537 -6.554 551 MG ILE 46 QG2 ILE 46 6.734 8.064 -6.546 552 MD ILE 46 QD1 ILE 46 3.368 7.270 -6.186 553 QG ILE 46 QG1 ILE 46 4.745 5.483 -6.328 554 H GLU 47 H GLU 47 7.112 6.035 -2.898 555 HA GLU 47 HA GLU 47 9.116 7.903 -2.542 556 1HB GLU 47 2HB GLU 47 7.324 7.421 -0.921 557 2HB GLU 47 1HB GLU 47 8.098 5.884 -0.551 558 1HG GLU 47 2HG GLU 47 10.087 7.088 0.175 559 2HG GLU 47 1HG GLU 47 9.257 8.618 -0.084 560 QB GLU 47 QB GLU 47 7.711 6.652 -0.736 561 QG GLU 47 QG GLU 47 9.672 7.853 0.045 562 H LEU 48 H LEU 48 9.227 4.418 -1.892 563 HA LEU 48 HA LEU 48 11.854 4.427 -1.017 564 1HB LEU 48 2HB LEU 48 9.985 2.288 -1.859 565 2HB LEU 48 1HB LEU 48 11.676 1.877 -1.744 566 HG LEU 48 HG LEU 48 10.527 1.243 0.288 567 1HD1 LEU 48 2HD1 LEU 48 12.829 1.946 0.496 568 2HD1 LEU 48 1HD1 LEU 48 12.328 3.610 0.772 569 3HD1 LEU 48 3HD1 LEU 48 11.904 2.356 1.936 570 1HD2 LEU 48 1HD2 LEU 48 8.684 2.855 0.249 571 2HD2 LEU 48 3HD2 LEU 48 9.527 2.888 1.799 572 3HD2 LEU 48 2HD2 LEU 48 9.815 4.159 0.608 573 MD1 LEU 48 QD1 LEU 48 12.354 2.637 1.068 574 MD2 LEU 48 QD2 LEU 48 9.342 3.301 0.885 575 QB LEU 48 QB LEU 48 10.831 2.083 -1.801 576 QD LEU 48 QQD LEU 48 10.848 2.969 0.977 577 H LYS 49 H LYS 49 10.609 3.937 -4.272 578 HA LYS 49 HA LYS 49 13.197 3.314 -5.284 579 1HB LYS 49 2HB LYS 49 10.714 4.212 -6.738 580 2HB LYS 49 1HB LYS 49 12.226 3.853 -7.554 581 1HG LYS 49 2HG LYS 49 12.082 1.555 -6.468 582 2HG LYS 49 1HG LYS 49 10.418 1.980 -6.062 583 1HD LYS 49 2HD LYS 49 11.556 2.041 -8.860 584 2HD LYS 49 1HD LYS 49 10.674 0.680 -8.180 585 1HE LYS 49 2HE LYS 49 9.551 3.477 -8.474 586 2HE LYS 49 1HE LYS 49 9.304 2.176 -9.638 587 1HZ LYS 49 1HZ LYS 49 8.238 0.888 -7.857 588 2HZ LYS 49 3HZ LYS 49 8.363 2.236 -6.813 589 3HZ LYS 49 2HZ LYS 49 7.438 2.306 -8.222 590 QB LYS 49 QB LYS 49 11.470 4.033 -7.146 591 QD LYS 49 QD LYS 49 11.115 1.361 -8.520 592 QG LYS 49 QG LYS 49 11.250 1.767 -6.265 593 QE LYS 49 QE LYS 49 9.428 2.826 -9.056 594 QZ LYS 49 QZ LYS 49 8.013 1.810 -7.631 595 H THR 50 H THR 50 11.450 6.287 -4.823 596 HA THR 50 HA THR 50 13.175 7.911 -6.325 597 HB THR 50 HB THR 50 11.453 8.667 -3.945 598 HG1 THR 50 1HG THR 50 9.908 8.288 -5.296 599 1HG2 THR 50 2HG2 THR 50 13.133 10.394 -4.514 600 2HG2 THR 50 1HG2 THR 50 12.582 10.367 -6.190 601 3HG2 THR 50 3HG2 THR 50 11.504 10.932 -4.912 602 MG THR 50 QG2 THR 50 12.406 10.564 -5.205 603 H LYS 51 H LYS 51 13.263 6.870 -2.937 604 HA LYS 51 HA LYS 51 15.626 8.457 -2.581 605 1HB LYS 51 2HB LYS 51 15.617 7.488 -0.222 606 2HB LYS 51 1HB LYS 51 14.228 8.467 -0.661 607 1HG LYS 51 2HG LYS 51 12.968 6.362 -1.076 608 2HG LYS 51 1HG LYS 51 14.356 5.461 -0.478 609 1HD LYS 51 2HD LYS 51 12.623 5.759 1.256 610 2HD LYS 51 1HD LYS 51 14.140 6.540 1.705 611 1HE LYS 51 2HE LYS 51 13.273 8.692 1.162 612 2HE LYS 51 1HE LYS 51 11.836 8.012 0.411 613 1HZ LYS 51 1HZ LYS 51 12.520 7.779 3.295 614 2HZ LYS 51 3HZ LYS 51 11.500 8.943 2.653 615 3HZ LYS 51 2HZ LYS 51 11.033 7.344 2.573 616 QB LYS 51 QB LYS 51 14.922 7.977 -0.441 617 QD LYS 51 QD LYS 51 13.381 6.150 1.480 618 QG LYS 51 QG LYS 51 13.662 5.912 -0.777 619 QE LYS 51 QE LYS 51 12.554 8.352 0.786 620 QZ LYS 51 QZ LYS 51 11.684 8.022 2.840 621 H LYS 52 H LYS 52 14.920 4.958 -2.336 622 HA LYS 52 HA LYS 52 16.228 3.179 -2.070 623 1HB LYS 52 2HB LYS 52 17.371 2.483 -4.115 624 2HB LYS 52 1HB LYS 52 15.792 3.174 -4.423 625 1HG LYS 52 2HG LYS 52 16.818 5.229 -5.171 626 2HG LYS 52 1HG LYS 52 18.420 4.584 -4.804 627 1HD LYS 52 2HD LYS 52 17.992 2.739 -6.400 628 2HD LYS 52 1HD LYS 52 16.441 3.472 -6.799 629 1HE LYS 52 2HE LYS 52 17.578 5.459 -7.596 630 2HE LYS 52 1HE LYS 52 19.138 4.754 -7.176 631 1HZ LYS 52 3HZ LYS 52 18.684 2.976 -8.770 632 2HZ LYS 52 2HZ LYS 52 17.237 3.712 -9.206 633 3HZ LYS 52 1HZ LYS 52 18.700 4.480 -9.505 634 QB LYS 52 QB LYS 52 16.582 2.829 -4.269 635 QD LYS 52 QD LYS 52 17.216 3.106 -6.600 636 QG LYS 52 QG LYS 52 17.619 4.906 -4.987 637 QE LYS 52 QE LYS 52 18.358 5.106 -7.386 638 QZ LYS 52 QZ LYS 52 18.207 3.723 -9.160 639 H LYS 53 H LYS 53 17.794 5.800 -1.462 640 HA LYS 53 HA LYS 53 20.489 4.843 -1.250 641 1HB LYS 53 2HB LYS 53 20.831 7.067 -0.194 642 2HB LYS 53 1HB LYS 53 20.085 7.116 -1.792 643 1HG LYS 53 2HG LYS 53 17.869 7.458 -0.785 644 2HG LYS 53 1HG LYS 53 18.586 7.404 0.822 645 1HD LYS 53 2HD LYS 53 19.320 9.413 -1.302 646 2HD LYS 53 1HD LYS 53 18.115 9.690 -0.046 647 1HE LYS 53 2HE LYS 53 20.979 8.963 0.495 648 2HE LYS 53 1HE LYS 53 20.384 10.629 0.449 649 1HZ LYS 53 1HZ LYS 53 18.876 10.005 2.285 650 2HZ LYS 53 3HZ LYS 53 19.593 8.477 2.356 651 3HZ LYS 53 2HZ LYS 53 20.496 9.826 2.688 652 QB LYS 53 QB LYS 53 20.458 7.092 -0.993 653 QD LYS 53 QD LYS 53 18.717 9.552 -0.674 654 QG LYS 53 QG LYS 53 18.228 7.431 0.018 655 QE LYS 53 QE LYS 53 20.681 9.796 0.472 656 QZ LYS 53 QZ LYS 53 19.655 9.436 2.443 657 H ARG 54 H ARG 54 17.653 4.669 0.490 658 HA ARG 54 HA ARG 54 18.896 4.394 3.040 659 1HB ARG 54 2HB ARG 54 16.089 4.414 2.079 660 2HB ARG 54 1HB ARG 54 16.402 3.425 3.494 661 1HG ARG 54 2HG ARG 54 17.131 6.344 3.281 662 2HG ARG 54 1HG ARG 54 15.647 5.735 4.023 663 1HD ARG 54 2HD ARG 54 17.000 4.410 5.592 664 2HD ARG 54 1HD ARG 54 18.471 5.073 4.893 665 HE ARG 54 HE ARG 54 17.067 7.259 5.648 666 1HH1 ARG 54 1HH1 ARG 54 18.120 4.342 7.372 667 2HH1 ARG 54 2HH1 ARG 54 18.235 5.104 8.881 668 1HH2 ARG 54 1HH2 ARG 54 17.291 8.314 7.715 669 2HH2 ARG 54 2HH2 ARG 54 17.762 7.420 9.080 670 QB ARG 54 QB ARG 54 16.245 3.920 2.786 671 QG ARG 54 QG ARG 54 16.389 6.040 3.652 672 QD ARG 54 QD ARG 54 17.735 4.741 5.242 673 QH1 ARG 54 QH1 ARG 54 18.178 4.723 8.127 674 QH2 ARG 54 QH2 ARG 54 17.527 7.867 8.398 675 H TYR 55 H TYR 55 18.983 2.437 4.189 676 HA TYR 55 HA TYR 55 19.807 0.322 2.475 677 1HB TYR 55 2HB TYR 55 19.879 0.575 5.479 678 2HB TYR 55 1HB TYR 55 20.651 -0.710 4.552 679 HD1 TYR 55 1HD TYR 55 22.549 -0.213 3.088 680 HD2 TYR 55 2HD TYR 55 20.836 2.783 5.554 681 HE1 TYR 55 1HE TYR 55 24.512 1.190 2.723 682 HE2 TYR 55 2HE TYR 55 22.819 4.215 5.200 683 HH TYR 55 HH TYR 55 25.187 3.950 4.558 684 QB TYR 55 QB TYR 55 20.265 -0.067 5.015 685 QD TYR 55 QD TYR 55 21.693 1.285 4.321 686 QE TYR 55 QE TYR 55 23.666 2.702 3.962 687 QR TYR 55 QR TYR 55 22.679 1.994 4.141 688 H SER 56 H SER 56 16.844 1.041 3.290 689 HA SER 56 HA SER 56 15.871 -1.389 4.317 690 1HB SER 56 2HB SER 56 13.680 -0.197 3.586 691 2HB SER 56 1HB SER 56 14.650 0.505 4.889 692 HG SER 56 HG SER 56 14.079 2.052 3.348 693 QB SER 56 QB SER 56 14.165 0.154 4.238 694 H LEU 57 H LEU 57 16.285 0.013 1.137 695 HA LEU 57 HA LEU 57 14.975 -2.276 -0.145 696 1HB LEU 57 2HB LEU 57 16.449 0.044 -1.379 697 2HB LEU 57 1HB LEU 57 15.606 -1.202 -2.264 698 HG LEU 57 HG LEU 57 14.401 0.930 -0.525 699 1HD1 LEU 57 1HD1 LEU 57 15.176 1.575 -2.774 700 2HD1 LEU 57 3HD1 LEU 57 14.145 0.329 -3.469 701 3HD1 LEU 57 2HD1 LEU 57 13.433 1.692 -2.608 702 1HD2 LEU 57 3HD2 LEU 57 13.069 -1.363 -1.967 703 2HD2 LEU 57 2HD2 LEU 57 13.177 -1.144 -0.219 704 3HD2 LEU 57 1HD2 LEU 57 12.232 -0.022 -1.184 705 MD1 LEU 57 QD1 LEU 57 14.251 1.199 -2.950 706 MD2 LEU 57 QD2 LEU 57 12.826 -0.843 -1.123 707 QB LEU 57 QB LEU 57 16.027 -0.579 -1.822 708 QD LEU 57 QQD LEU 57 13.539 0.178 -2.037 709 H LEU 58 H LEU 58 18.046 -0.968 0.538 710 HA LEU 58 HA LEU 58 19.526 -2.561 -1.300 711 1HB LEU 58 2HB LEU 58 20.481 -0.993 1.076 712 2HB LEU 58 1HB LEU 58 21.457 -1.590 -0.247 713 HG LEU 58 HG LEU 58 19.286 0.477 -0.550 714 1HD1 LEU 58 1HD1 LEU 58 21.121 1.304 0.826 715 2HD1 LEU 58 3HD1 LEU 58 22.272 0.816 -0.422 716 3HD1 LEU 58 2HD1 LEU 58 21.084 2.081 -0.753 717 1HD2 LEU 58 1HD2 LEU 58 21.442 -0.476 -2.435 718 2HD2 LEU 58 3HD2 LEU 58 19.712 -0.792 -2.590 719 3HD2 LEU 58 2HD2 LEU 58 20.322 0.853 -2.741 720 MD1 LEU 58 QD1 LEU 58 21.492 1.400 -0.116 721 MD2 LEU 58 QD2 LEU 58 20.492 -0.138 -2.588 722 QB LEU 58 QB LEU 58 20.969 -1.291 0.415 723 QD LEU 58 QQD LEU 58 20.992 0.631 -1.352 724 H GLU 59 H GLU 59 19.442 -2.474 2.279 725 HA GLU 59 HA GLU 59 20.726 -5.095 2.275 726 1HB GLU 59 2HB GLU 59 20.618 -3.005 4.454 727 2HB GLU 59 1HB GLU 59 21.642 -4.427 4.394 728 1HG GLU 59 2HG GLU 59 21.836 -2.048 2.573 729 2HG GLU 59 1HG GLU 59 22.889 -2.366 3.954 730 QB GLU 59 QB GLU 59 21.130 -3.716 4.424 731 QG GLU 59 QG GLU 59 22.362 -2.207 3.263 732 H HIS 60 H HIS 60 20.167 -5.616 4.869 733 HA HIS 60 HA HIS 60 17.333 -6.148 4.877 734 1HB HIS 60 2HB HIS 60 17.744 -7.403 6.945 735 2HB HIS 60 1HB HIS 60 18.935 -7.873 5.749 736 HD1 HIS 60 1HD HIS 60 21.448 -7.307 6.326 737 HD2 HIS 60 2HD HIS 60 18.697 -6.063 9.182 738 HE1 HIS 60 1HE HIS 60 22.788 -6.677 8.374 739 QB HIS 60 QB HIS 60 18.339 -7.638 6.347 740 H HIS 61 H HIS 61 15.870 -5.170 6.300 741 HA HIS 61 HA HIS 61 16.978 -2.790 7.562 742 1HB HIS 61 2HB HIS 61 15.217 -2.406 5.811 743 2HB HIS 61 1HB HIS 61 14.086 -3.277 6.836 744 HD1 HIS 61 1HD HIS 61 16.221 -0.095 6.970 745 HD2 HIS 61 2HD HIS 61 12.847 -1.785 8.701 746 HE1 HIS 61 1HE HIS 61 15.198 1.693 8.395 747 QB HIS 61 QB HIS 61 14.652 -2.842 6.323 748 H HIS 62 H HIS 62 17.582 -3.517 9.466 749 HA HIS 62 HA HIS 62 15.455 -4.410 11.243 750 1HB HIS 62 2HB HIS 62 16.846 -6.403 10.500 751 2HB HIS 62 1HB HIS 62 18.239 -5.626 11.238 752 HD1 HIS 62 1HD HIS 62 15.465 -7.899 12.014 753 HD2 HIS 62 2HD HIS 62 17.959 -5.326 14.128 754 HE1 HIS 62 1HE HIS 62 15.251 -8.546 14.430 755 QB HIS 62 QB HIS 62 17.543 -6.015 10.869 756 H HIS 63 H HIS 63 15.328 -2.797 12.586 757 HA HIS 63 HA HIS 63 17.603 -1.122 13.111 758 1HB HIS 63 2HB HIS 63 15.249 -0.232 12.747 759 2HB HIS 63 1HB HIS 63 14.835 -0.925 14.312 760 HD1 HIS 63 1HD HIS 63 15.666 0.363 16.428 761 HD2 HIS 63 2HD HIS 63 16.949 1.966 12.817 762 HE1 HIS 63 1HE HIS 63 16.664 2.611 16.969 763 QB HIS 63 QB HIS 63 15.042 -0.579 13.529 764 H HIS 64 H HIS 64 18.779 -1.210 14.969 765 HA HIS 64 HA HIS 64 18.129 -3.288 16.863 766 1HB HIS 64 2HB HIS 64 20.609 -1.614 16.438 767 2HB HIS 64 1HB HIS 64 20.435 -2.890 17.630 768 HD1 HIS 64 1HD HIS 64 21.861 -2.360 14.419 769 HD2 HIS 64 2HD HIS 64 19.724 -5.466 16.161 770 HE1 HIS 64 1HE HIS 64 22.350 -4.415 13.036 771 QB HIS 64 QB HIS 64 20.522 -2.252 17.034 No H/Q in entry = 771 Start of MODEL 14 1 H1 MET 1 2HT MET 1 12.632 -5.694 3.006 2 H2 MET 1 1HT MET 1 12.734 -6.904 4.191 3 H3 MET 1 3HT MET 1 13.434 -7.122 2.671 4 HA MET 1 HA MET 1 11.473 -8.378 2.771 5 1HB MET 1 2HB MET 1 10.295 -7.044 4.501 6 2HB MET 1 1HB MET 1 10.088 -5.742 3.340 7 1HG MET 1 2HG MET 1 8.638 -7.096 1.986 8 2HG MET 1 1HG MET 1 8.948 -8.505 2.989 9 1HE MET 1 2HE MET 1 8.359 -4.809 4.262 10 2HE MET 1 1HE MET 1 7.276 -4.914 2.876 11 3HE MET 1 3HE MET 1 6.613 -4.802 4.506 12 QB MET 1 QB MET 1 10.191 -6.393 3.921 13 QG MET 1 QG MET 1 8.793 -7.800 2.488 14 ME MET 1 QE MET 1 7.416 -4.842 3.881 15 H ASN 2 H ASN 2 11.017 -8.908 0.779 16 HA ASN 2 HA ASN 2 11.823 -7.678 -1.549 17 1HB ASN 2 2HB ASN 2 9.392 -9.447 -1.226 18 2HB ASN 2 1HB ASN 2 10.224 -9.114 -2.729 19 1HD2 ASN 2 1HD2 ASN 2 12.932 -9.425 -1.675 20 2HD2 ASN 2 2HD2 ASN 2 13.073 -11.099 -1.325 21 QB ASN 2 QB ASN 2 9.808 -9.280 -1.977 22 QD ASN 2 QD2 ASN 2 13.003 -10.262 -1.500 23 H VAL 3 H VAL 3 11.059 -6.006 -2.782 24 HA VAL 3 HA VAL 3 8.966 -4.371 -1.825 25 HB VAL 3 HB VAL 3 9.226 -3.042 -3.908 26 1HG1 VAL 3 3HG1 VAL 3 10.692 -2.612 -2.009 27 2HG1 VAL 3 2HG1 VAL 3 11.829 -3.823 -2.609 28 3HG1 VAL 3 1HG1 VAL 3 11.549 -2.352 -3.530 29 1HG2 VAL 3 3HG2 VAL 3 9.694 -4.868 -5.474 30 2HG2 VAL 3 2HG2 VAL 3 10.958 -3.638 -5.544 31 3HG2 VAL 3 1HG2 VAL 3 11.245 -5.150 -4.685 32 MG1 VAL 3 QG1 VAL 3 11.357 -2.929 -2.716 33 MG2 VAL 3 QG2 VAL 3 10.633 -4.552 -5.235 34 QG VAL 3 QQG VAL 3 10.995 -3.741 -3.975 35 H THR 4 H THR 4 8.957 -7.029 -3.964 36 HA THR 4 HA THR 4 6.528 -6.491 -5.271 37 HB THR 4 HB THR 4 8.174 -8.250 -6.020 38 HG1 THR 4 1HG THR 4 6.546 -8.836 -7.113 39 1HG2 THR 4 2HG2 THR 4 8.591 -9.272 -3.834 40 2HG2 THR 4 1HG2 THR 4 6.945 -9.894 -3.807 41 3HG2 THR 4 3HG2 THR 4 8.089 -10.479 -5.022 42 MG THR 4 QG2 THR 4 7.875 -9.882 -4.221 43 H LYS 5 H LYS 5 7.271 -7.586 -2.073 44 HA LYS 5 HA LYS 5 4.725 -8.719 -1.462 45 1HB LYS 5 2HB LYS 5 7.020 -7.791 0.249 46 2HB LYS 5 1HB LYS 5 5.543 -8.474 0.915 47 1HG LYS 5 2HG LYS 5 5.948 -10.551 -0.262 48 2HG LYS 5 1HG LYS 5 7.379 -9.868 -1.015 49 1HD LYS 5 2HD LYS 5 8.551 -9.800 1.018 50 2HD LYS 5 1HD LYS 5 7.080 -10.016 1.973 51 1HE LYS 5 2HE LYS 5 8.195 -12.079 0.086 52 2HE LYS 5 1HE LYS 5 8.524 -12.056 1.818 53 1HZ LYS 5 1HZ LYS 5 5.793 -12.257 0.625 54 2HZ LYS 5 3HZ LYS 5 6.696 -13.547 1.183 55 3HZ LYS 5 2HZ LYS 5 6.186 -12.375 2.264 56 QB LYS 5 QB LYS 5 6.282 -8.132 0.582 57 QD LYS 5 QD LYS 5 7.815 -9.908 1.496 58 QG LYS 5 QG LYS 5 6.663 -10.210 -0.639 59 QE LYS 5 QE LYS 5 8.359 -12.068 0.952 60 QZ LYS 5 QZ LYS 5 6.225 -12.726 1.358 61 H LEU 6 H LEU 6 6.228 -5.578 -1.158 62 HA LEU 6 HA LEU 6 4.179 -4.384 0.368 63 1HB LEU 6 2HB LEU 6 6.479 -3.457 0.064 64 2HB LEU 6 1HB LEU 6 6.050 -3.098 -1.604 65 HG LEU 6 HG LEU 6 4.370 -1.484 -0.837 66 1HD1 LEU 6 1HD1 LEU 6 5.346 -2.186 1.933 67 2HD1 LEU 6 3HD1 LEU 6 4.266 -0.855 1.531 68 3HD1 LEU 6 2HD1 LEU 6 3.741 -2.514 1.271 69 1HD2 LEU 6 3HD2 LEU 6 7.085 -1.078 0.405 70 2HD2 LEU 6 2HD2 LEU 6 6.647 -0.726 -1.266 71 3HD2 LEU 6 1HD2 LEU 6 5.910 0.187 0.050 72 MD1 LEU 6 QD1 LEU 6 4.451 -1.852 1.578 73 MD2 LEU 6 QD2 LEU 6 6.548 -0.539 -0.270 74 QB LEU 6 QB LEU 6 6.264 -3.278 -0.770 75 QD LEU 6 QQD LEU 6 5.499 -1.195 0.654 76 H ASN 7 H ASN 7 4.861 -4.548 -3.085 77 HA ASN 7 HA ASN 7 2.572 -3.138 -3.931 78 1HB ASN 7 2HB ASN 7 4.549 -3.585 -5.404 79 2HB ASN 7 1HB ASN 7 4.052 -5.272 -5.499 80 1HD2 ASN 7 1HD2 ASN 7 3.675 -5.258 -7.718 81 2HD2 ASN 7 2HD2 ASN 7 2.393 -4.350 -8.428 82 QB ASN 7 QB ASN 7 4.300 -4.428 -5.451 83 QD ASN 7 QD2 ASN 7 3.034 -4.804 -8.073 84 H ASP 8 H ASP 8 3.147 -6.459 -3.111 85 HA ASP 8 HA ASP 8 0.826 -7.676 -4.128 86 1HB ASP 8 2HB ASP 8 2.745 -8.967 -3.277 87 2HB ASP 8 1HB ASP 8 2.401 -8.395 -1.651 88 QB ASP 8 QB ASP 8 2.573 -8.681 -2.464 89 H ARG 9 H ARG 9 1.507 -6.087 -1.084 90 HA ARG 9 HA ARG 9 -0.971 -6.532 0.173 91 1HB ARG 9 2HB ARG 9 0.936 -4.202 0.501 92 2HB ARG 9 1HB ARG 9 -0.398 -4.574 1.583 93 1HG ARG 9 2HG ARG 9 0.640 -6.676 2.178 94 2HG ARG 9 1HG ARG 9 1.955 -6.365 1.045 95 1HD ARG 9 2HD ARG 9 2.664 -5.842 3.293 96 2HD ARG 9 1HD ARG 9 2.566 -4.369 2.336 97 HE ARG 9 HE ARG 9 0.356 -4.016 3.470 98 1HH1 ARG 9 1HH1 ARG 9 2.841 -6.004 5.058 99 2HH1 ARG 9 2HH1 ARG 9 2.349 -5.599 6.630 100 1HH2 ARG 9 1HH2 ARG 9 -0.273 -3.435 5.651 101 2HH2 ARG 9 2HH2 ARG 9 0.554 -4.106 6.975 102 QB ARG 9 QB ARG 9 0.269 -4.388 1.042 103 QG ARG 9 QG ARG 9 1.298 -6.521 1.611 104 QD ARG 9 QD ARG 9 2.615 -5.106 2.815 105 QH1 ARG 9 QH1 ARG 9 2.595 -5.802 5.844 106 QH2 ARG 9 QH2 ARG 9 0.141 -3.770 6.313 107 H ILE 10 H ILE 10 0.190 -3.966 -1.936 108 HA ILE 10 HA ILE 10 -2.069 -2.308 -1.930 109 HB ILE 10 HB ILE 10 -0.200 -2.874 -4.250 110 1HG1 ILE 10 2HG1 ILE 10 -0.076 -0.710 -2.149 111 2HG1 ILE 10 1HG1 ILE 10 0.967 -2.127 -2.201 112 1HG2 ILE 10 2HG2 ILE 10 -2.264 -1.768 -4.961 113 2HG2 ILE 10 1HG2 ILE 10 -2.030 -0.517 -3.749 114 3HG2 ILE 10 3HG2 ILE 10 -0.895 -0.661 -5.094 115 1HD1 ILE 10 2HD1 ILE 10 1.866 -1.344 -4.345 116 2HD1 ILE 10 1HD1 ILE 10 0.838 0.085 -4.233 117 3HD1 ILE 10 3HD1 ILE 10 2.113 -0.180 -3.043 118 MG ILE 10 QG2 ILE 10 -1.730 -0.982 -4.601 119 MD ILE 10 QD1 ILE 10 1.606 -0.480 -3.874 120 QG ILE 10 QG1 ILE 10 0.445 -1.418 -2.175 121 H GLU 11 H GLU 11 -1.151 -4.888 -4.157 122 HA GLU 11 HA GLU 11 -3.408 -4.930 -5.755 123 1HB GLU 11 2HB GLU 11 -1.567 -7.178 -4.979 124 2HB GLU 11 1HB GLU 11 -2.794 -7.308 -6.231 125 1HG GLU 11 2HG GLU 11 -0.481 -5.378 -6.219 126 2HG GLU 11 1HG GLU 11 -0.582 -6.862 -7.169 127 QB GLU 11 QB GLU 11 -2.180 -7.243 -5.605 128 QG GLU 11 QG GLU 11 -0.531 -6.120 -6.694 129 H ALA 12 H ALA 12 -2.864 -6.627 -2.725 130 HA ALA 12 HA ALA 12 -5.335 -8.033 -2.814 131 1HB ALA 12 2HB ALA 12 -3.418 -8.846 -1.512 132 2HB ALA 12 3HB ALA 12 -4.860 -8.659 -0.511 133 3HB ALA 12 1HB ALA 12 -3.569 -7.460 -0.430 134 MB ALA 12 QB ALA 12 -3.949 -8.322 -0.817 135 H LYS 13 H LYS 13 -4.374 -4.883 -1.535 136 HA LYS 13 HA LYS 13 -6.891 -4.617 -0.193 137 1HB LYS 13 2HB LYS 13 -4.818 -2.487 -0.759 138 2HB LYS 13 1HB LYS 13 -6.246 -2.252 0.243 139 1HG LYS 13 2HG LYS 13 -3.833 -3.961 0.795 140 2HG LYS 13 1HG LYS 13 -4.457 -2.612 1.742 141 1HD LYS 13 2HD LYS 13 -6.469 -3.959 2.274 142 2HD LYS 13 1HD LYS 13 -5.778 -5.296 1.358 143 1HE LYS 13 2HE LYS 13 -5.328 -5.754 3.617 144 2HE LYS 13 1HE LYS 13 -3.811 -5.204 2.912 145 1HZ LYS 13 3HZ LYS 13 -4.324 -2.949 3.910 146 2HZ LYS 13 2HZ LYS 13 -5.661 -3.672 4.617 147 3HZ LYS 13 1HZ LYS 13 -4.143 -4.193 5.046 148 QB LYS 13 QB LYS 13 -5.532 -2.370 -0.258 149 QD LYS 13 QD LYS 13 -6.124 -4.628 1.816 150 QG LYS 13 QG LYS 13 -4.145 -3.287 1.269 151 QE LYS 13 QE LYS 13 -4.569 -5.479 3.264 152 QZ LYS 13 QZ LYS 13 -4.709 -3.605 4.524 153 H LYS 14 H LYS 14 -5.623 -3.742 -3.271 154 HA LYS 14 HA LYS 14 -7.673 -2.070 -4.174 155 1HB LYS 14 2HB LYS 14 -5.917 -4.010 -5.692 156 2HB LYS 14 1HB LYS 14 -7.006 -2.866 -6.478 157 1HG LYS 14 2HG LYS 14 -5.789 -1.000 -5.644 158 2HG LYS 14 1HG LYS 14 -4.911 -2.042 -4.526 159 1HD LYS 14 2HD LYS 14 -3.531 -1.305 -6.419 160 2HD LYS 14 1HD LYS 14 -3.683 -3.051 -6.340 161 1HE LYS 14 2HE LYS 14 -5.364 -2.942 -8.108 162 2HE LYS 14 1HE LYS 14 -5.172 -1.174 -8.127 163 1HZ LYS 14 3HZ LYS 14 -2.937 -3.050 -8.596 164 2HZ LYS 14 2HZ LYS 14 -3.842 -2.414 -9.870 165 3HZ LYS 14 1HZ LYS 14 -2.946 -1.395 -8.871 166 QB LYS 14 QB LYS 14 -6.461 -3.438 -6.085 167 QD LYS 14 QD LYS 14 -3.607 -2.178 -6.379 168 QG LYS 14 QG LYS 14 -5.350 -1.521 -5.085 169 QE LYS 14 QE LYS 14 -5.268 -2.058 -8.118 170 QZ LYS 14 QZ LYS 14 -3.242 -2.286 -9.112 171 H LYS 15 H LYS 15 -7.410 -5.605 -4.323 172 HA LYS 15 HA LYS 15 -9.931 -5.916 -5.604 173 1HB LYS 15 2HB LYS 15 -9.610 -8.298 -5.382 174 2HB LYS 15 1HB LYS 15 -8.077 -7.559 -5.761 175 1HG LYS 15 2HG LYS 15 -7.555 -9.175 -4.228 176 2HG LYS 15 1HG LYS 15 -7.559 -7.691 -3.282 177 1HD LYS 15 2HD LYS 15 -8.668 -9.368 -1.991 178 2HD LYS 15 1HD LYS 15 -9.886 -8.251 -2.560 179 1HE LYS 15 2HE LYS 15 -10.693 -10.552 -2.793 180 2HE LYS 15 1HE LYS 15 -10.519 -9.795 -4.365 181 1HZ LYS 15 3HZ LYS 15 -8.367 -10.975 -4.593 182 2HZ LYS 15 2HZ LYS 15 -8.644 -11.735 -3.124 183 3HZ LYS 15 1HZ LYS 15 -9.673 -12.024 -4.417 184 QB LYS 15 QB LYS 15 -8.843 -7.928 -5.572 185 QD LYS 15 QD LYS 15 -9.277 -8.810 -2.276 186 QG LYS 15 QG LYS 15 -7.557 -8.433 -3.755 187 QE LYS 15 QE LYS 15 -10.606 -10.174 -3.579 188 QZ LYS 15 QZ LYS 15 -8.895 -11.578 -4.045 189 H GLU 16 H GLU 16 -9.002 -5.455 -2.375 190 HA GLU 16 HA GLU 16 -11.310 -6.638 -1.150 191 1HB GLU 16 2HB GLU 16 -9.121 -6.534 0.008 192 2HB GLU 16 1HB GLU 16 -9.174 -4.783 -0.063 193 1HG GLU 16 2HG GLU 16 -11.050 -4.736 1.438 194 2HG GLU 16 1HG GLU 16 -11.151 -6.492 1.427 195 QB GLU 16 QB GLU 16 -9.148 -5.659 -0.028 196 QG GLU 16 QG GLU 16 -11.100 -5.614 1.432 197 H LEU 17 H LEU 17 -10.052 -3.463 -1.873 198 HA LEU 17 HA LEU 17 -12.127 -1.934 -0.935 199 1HB LEU 17 2HB LEU 17 -10.041 -1.584 -2.979 200 2HB LEU 17 1HB LEU 17 -11.304 -0.387 -2.889 201 HG LEU 17 HG LEU 17 -9.472 -1.187 -0.611 202 1HD1 LEU 17 2HD1 LEU 17 -8.297 0.013 -2.380 203 2HD1 LEU 17 1HD1 LEU 17 -9.501 1.307 -2.300 204 3HD1 LEU 17 3HD1 LEU 17 -8.458 0.979 -0.914 205 1HD2 LEU 17 1HD2 LEU 17 -11.590 0.950 -0.835 206 2HD2 LEU 17 3HD2 LEU 17 -11.598 -0.434 0.265 207 3HD2 LEU 17 2HD2 LEU 17 -10.406 0.852 0.456 208 MD1 LEU 17 QD1 LEU 17 -8.752 0.766 -1.865 209 MD2 LEU 17 QD2 LEU 17 -11.198 0.456 -0.038 210 QB LEU 17 QB LEU 17 -10.673 -0.986 -2.934 211 QD LEU 17 QQD LEU 17 -9.975 0.611 -0.951 212 H ILE 18 H ILE 18 -11.741 -3.352 -4.147 213 HA ILE 18 HA ILE 18 -14.022 -2.246 -5.329 214 HB ILE 18 HB ILE 18 -12.870 -5.017 -5.802 215 1HG1 ILE 18 2HG1 ILE 18 -12.354 -2.426 -7.261 216 2HG1 ILE 18 1HG1 ILE 18 -11.270 -3.118 -6.064 217 1HG2 ILE 18 3HG2 ILE 18 -15.139 -4.780 -6.722 218 2HG2 ILE 18 2HG2 ILE 18 -14.641 -3.315 -7.572 219 3HG2 ILE 18 1HG2 ILE 18 -13.936 -4.869 -8.010 220 1HD1 ILE 18 1HD1 ILE 18 -10.956 -5.075 -7.508 221 2HD1 ILE 18 3HD1 ILE 18 -12.033 -4.351 -8.703 222 3HD1 ILE 18 2HD1 ILE 18 -10.498 -3.577 -8.315 223 MG ILE 18 QG2 ILE 18 -14.572 -4.321 -7.434 224 MD ILE 18 QD1 ILE 18 -11.162 -4.334 -8.175 225 QG ILE 18 QG1 ILE 18 -11.812 -2.772 -6.663 226 H TYR 19 H TYR 19 -13.663 -5.197 -3.443 227 HA TYR 19 HA TYR 19 -16.349 -6.012 -3.533 228 1HB TYR 19 2HB TYR 19 -14.669 -7.612 -2.944 229 2HB TYR 19 1HB TYR 19 -14.080 -6.607 -1.630 230 HD1 TYR 19 1HD TYR 19 -16.976 -8.659 -2.722 231 HD2 TYR 19 2HD TYR 19 -14.946 -6.814 0.523 232 HE1 TYR 19 1HE TYR 19 -18.461 -9.811 -1.137 233 HE2 TYR 19 2HE TYR 19 -16.413 -7.951 2.104 234 HH TYR 19 HH TYR 19 -18.474 -10.481 1.180 235 QB TYR 19 QB TYR 19 -14.374 -7.109 -2.287 236 QD TYR 19 QD TYR 19 -15.961 -7.736 -1.099 237 QE TYR 19 QE TYR 19 -17.437 -8.881 0.484 238 QR TYR 19 QR TYR 19 -16.699 -8.309 -0.308 239 H LEU 20 H LEU 20 -14.537 -4.135 -1.143 240 HA LEU 20 HA LEU 20 -16.629 -3.843 0.711 241 1HB LEU 20 2HB LEU 20 -14.186 -2.132 0.300 242 2HB LEU 20 1HB LEU 20 -15.245 -2.049 1.692 243 HG LEU 20 HG LEU 20 -13.600 -4.459 0.910 244 1HD1 LEU 20 3HD1 LEU 20 -13.202 -2.405 3.051 245 2HD1 LEU 20 2HD1 LEU 20 -12.272 -3.895 2.882 246 3HD1 LEU 20 1HD1 LEU 20 -12.198 -2.653 1.625 247 1HD2 LEU 20 3HD2 LEU 20 -15.647 -5.066 2.121 248 2HD2 LEU 20 2HD2 LEU 20 -14.210 -5.320 3.109 249 3HD2 LEU 20 1HD2 LEU 20 -15.229 -3.907 3.384 250 MD1 LEU 20 QD1 LEU 20 -12.557 -2.984 2.519 251 MD2 LEU 20 QD2 LEU 20 -15.029 -4.764 2.871 252 QB LEU 20 QB LEU 20 -14.716 -2.091 0.996 253 QD LEU 20 QQD LEU 20 -13.793 -3.874 2.695 254 H VAL 21 H VAL 21 -15.550 -1.716 -1.913 255 HA VAL 21 HA VAL 21 -17.289 0.414 -1.448 256 HB VAL 21 HB VAL 21 -16.292 -0.658 -4.123 257 1HG1 VAL 21 1HG1 VAL 21 -17.613 1.985 -3.508 258 2HG1 VAL 21 3HG1 VAL 21 -16.876 1.541 -5.049 259 3HG1 VAL 21 2HG1 VAL 21 -18.298 0.675 -4.475 260 1HG2 VAL 21 1HG2 VAL 21 -14.528 0.150 -2.609 261 2HG2 VAL 21 3HG2 VAL 21 -14.699 1.160 -4.040 262 3HG2 VAL 21 2HG2 VAL 21 -15.358 1.708 -2.503 263 MG1 VAL 21 QG1 VAL 21 -17.596 1.400 -4.344 264 MG2 VAL 21 QG2 VAL 21 -14.861 1.006 -3.051 265 QG VAL 21 QQG VAL 21 -16.229 1.203 -3.697 266 H GLU 22 H GLU 22 -17.855 -2.598 -3.192 267 HA GLU 22 HA GLU 22 -20.455 -1.866 -3.971 268 1HB GLU 22 2HB GLU 22 -19.102 -4.538 -3.901 269 2HB GLU 22 1HB GLU 22 -20.740 -4.307 -4.496 270 1HG GLU 22 2HG GLU 22 -18.228 -3.066 -5.583 271 2HG GLU 22 1HG GLU 22 -19.215 -4.306 -6.355 272 QB GLU 22 QB GLU 22 -19.921 -4.422 -4.199 273 QG GLU 22 QG GLU 22 -18.721 -3.686 -5.969 274 H LYS 23 H LYS 23 -19.298 -3.691 -1.135 275 HA LYS 23 HA LYS 23 -21.938 -4.299 -0.412 276 1HB LYS 23 2HB LYS 23 -20.103 -5.819 0.084 277 2HB LYS 23 1HB LYS 23 -19.342 -4.602 1.101 278 1HG LYS 23 2HG LYS 23 -21.048 -4.689 2.642 279 2HG LYS 23 1HG LYS 23 -22.071 -5.626 1.540 280 1HD LYS 23 2HD LYS 23 -21.181 -7.107 3.315 281 2HD LYS 23 1HD LYS 23 -20.522 -7.543 1.746 282 1HE LYS 23 2HE LYS 23 -18.442 -6.419 2.271 283 2HE LYS 23 1HE LYS 23 -19.107 -5.850 3.804 284 1HZ LYS 23 2HZ LYS 23 -18.670 -8.717 3.079 285 2HZ LYS 23 1HZ LYS 23 -17.679 -7.808 4.079 286 3HZ LYS 23 3HZ LYS 23 -19.248 -8.143 4.561 287 QB LYS 23 QB LYS 23 -19.722 -5.211 0.592 288 QD LYS 23 QD LYS 23 -20.852 -7.325 2.531 289 QG LYS 23 QG LYS 23 -21.560 -5.157 2.091 290 QE LYS 23 QE LYS 23 -18.774 -6.134 3.037 291 QZ LYS 23 QZ LYS 23 -18.532 -8.223 3.907 292 H TYR 24 H TYR 24 -19.539 -1.903 0.702 293 HA TYR 24 HA TYR 24 -21.450 -0.965 2.699 294 1HB TYR 24 2HB TYR 24 -18.560 -0.255 2.240 295 2HB TYR 24 1HB TYR 24 -19.574 0.502 3.458 296 HD1 TYR 24 1HD TYR 24 -20.254 -0.730 5.447 297 HD2 TYR 24 2HD TYR 24 -17.775 -2.519 2.502 298 HE1 TYR 24 1HE TYR 24 -19.659 -2.505 7.041 299 HE2 TYR 24 2HE TYR 24 -17.176 -4.290 4.068 300 HH TYR 24 HH TYR 24 -18.814 -4.756 7.051 301 QB TYR 24 QB TYR 24 -19.067 0.124 2.849 302 QD TYR 24 QD TYR 24 -19.014 -1.625 3.975 303 QE TYR 24 QE TYR 24 -18.417 -3.398 5.554 304 QR TYR 24 QR TYR 24 -18.716 -2.511 4.765 305 H GLY 25 H GLY 25 -19.843 0.220 -0.213 306 1HA GLY 25 1HA GLY 25 -21.521 2.627 -0.003 307 2HA GLY 25 2HA GLY 25 -21.157 1.812 -1.523 308 QA GLY 25 QA GLY 25 -21.339 2.220 -0.763 309 H PHE 26 H PHE 26 -20.478 4.122 -1.971 310 HA PHE 26 HA PHE 26 -17.596 4.241 -1.915 311 1HB PHE 26 2HB PHE 26 -19.662 6.153 -3.014 312 2HB PHE 26 1HB PHE 26 -17.934 6.401 -3.153 313 HD1 PHE 26 1HD PHE 26 -16.638 5.129 -4.730 314 HD2 PHE 26 2HD PHE 26 -20.803 4.452 -4.291 315 HE1 PHE 26 1HE PHE 26 -16.652 3.902 -6.862 316 HE2 PHE 26 2HE PHE 26 -20.833 3.215 -6.414 317 HZ PHE 26 HZ PHE 26 -18.753 2.936 -7.704 318 QB PHE 26 QB PHE 26 -18.798 6.277 -3.084 319 QD PHE 26 QD PHE 26 -18.720 4.791 -4.511 320 QE PHE 26 QE PHE 26 -18.743 3.558 -6.638 321 QR PHE 26 QR PHE 26 -18.736 3.927 -6.000 322 H THR 27 H THR 27 -20.262 5.843 -0.301 323 HA THR 27 HA THR 27 -18.681 8.024 0.670 324 HB THR 27 HB THR 27 -20.866 8.577 1.783 325 HG1 THR 27 1HG THR 27 -22.088 6.920 1.933 326 1HG2 THR 27 3HG2 THR 27 -20.910 8.043 -1.194 327 2HG2 THR 27 2HG2 THR 27 -21.985 9.145 -0.337 328 3HG2 THR 27 1HG2 THR 27 -20.255 9.485 -0.422 329 MG THR 27 QG2 THR 27 -21.050 8.891 -0.651 330 H HIS 28 H HIS 28 -19.004 4.896 1.623 331 HA HIS 28 HA HIS 28 -19.456 5.279 4.426 332 1HB HIS 28 2HB HIS 28 -20.029 3.222 2.970 333 2HB HIS 28 1HB HIS 28 -18.334 2.792 3.153 334 HD1 HIS 28 1HD HIS 28 -21.462 3.306 5.223 335 HD2 HIS 28 2HD HIS 28 -17.708 1.570 5.489 336 HE1 HIS 28 1HE HIS 28 -21.472 1.986 7.340 337 QB HIS 28 QB HIS 28 -19.181 3.007 3.061 338 H HIS 29 H HIS 29 -17.983 5.707 5.930 339 HA HIS 29 HA HIS 29 -15.522 6.769 5.180 340 1HB HIS 29 2HB HIS 29 -16.872 7.428 7.204 341 2HB HIS 29 1HB HIS 29 -16.281 5.978 7.996 342 HD1 HIS 29 1HD HIS 29 -15.316 9.473 7.159 343 HD2 HIS 29 2HD HIS 29 -13.508 6.044 8.663 344 HE1 HIS 29 1HE HIS 29 -13.131 10.210 8.134 345 QB HIS 29 QB HIS 29 -16.577 6.703 7.600 346 H LYS 30 H LYS 30 -16.256 3.572 6.441 347 HA LYS 30 HA LYS 30 -13.633 2.748 7.028 348 1HB LYS 30 2HB LYS 30 -15.856 1.022 5.902 349 2HB LYS 30 1HB LYS 30 -14.358 0.417 6.558 350 1HG LYS 30 2HG LYS 30 -16.504 1.875 8.092 351 2HG LYS 30 1HG LYS 30 -16.128 0.156 8.164 352 1HD LYS 30 2HD LYS 30 -13.850 0.749 8.973 353 2HD LYS 30 1HD LYS 30 -14.363 2.435 9.037 354 1HE LYS 30 2HE LYS 30 -15.558 0.143 10.575 355 2HE LYS 30 1HE LYS 30 -14.509 1.391 11.229 356 1HZ LYS 30 2HZ LYS 30 -17.237 1.850 10.108 357 2HZ LYS 30 1HZ LYS 30 -16.831 1.814 11.722 358 3HZ LYS 30 3HZ LYS 30 -16.212 3.037 10.757 359 QB LYS 30 QB LYS 30 -15.107 0.719 6.230 360 QD LYS 30 QD LYS 30 -14.106 1.592 9.005 361 QG LYS 30 QG LYS 30 -16.316 1.016 8.128 362 QE LYS 30 QE LYS 30 -15.034 0.767 10.902 363 QZ LYS 30 QZ LYS 30 -16.760 2.234 10.862 364 H VAL 31 H VAL 31 -15.401 2.688 3.998 365 HA VAL 31 HA VAL 31 -13.472 1.361 2.437 366 HB VAL 31 HB VAL 31 -15.617 3.348 1.615 367 1HG1 VAL 31 3HG1 VAL 31 -13.919 3.089 -0.131 368 2HG1 VAL 31 2HG1 VAL 31 -14.128 1.338 -0.073 369 3HG1 VAL 31 1HG1 VAL 31 -15.461 2.371 -0.600 370 1HG2 VAL 31 1HG2 VAL 31 -16.523 1.413 2.780 371 2HG2 VAL 31 3HG2 VAL 31 -16.944 1.360 1.068 372 3HG2 VAL 31 2HG2 VAL 31 -15.654 0.332 1.693 373 MG1 VAL 31 QG1 VAL 31 -14.503 2.266 -0.268 374 MG2 VAL 31 QG2 VAL 31 -16.373 1.035 1.847 375 QG VAL 31 QQG VAL 31 -15.438 1.650 0.790 376 H ILE 32 H ILE 32 -14.094 4.729 3.121 377 HA ILE 32 HA ILE 32 -12.153 5.947 1.483 378 HB ILE 32 HB ILE 32 -13.045 6.849 4.230 379 1HG1 ILE 32 2HG1 ILE 32 -14.988 6.393 2.815 380 2HG1 ILE 32 1HG1 ILE 32 -14.793 8.101 3.173 381 1HG2 ILE 32 1HG2 ILE 32 -11.124 8.078 3.402 382 2HG2 ILE 32 3HG2 ILE 32 -11.972 8.430 1.895 383 3HG2 ILE 32 2HG2 ILE 32 -12.557 9.107 3.414 384 1HD1 ILE 32 1HD1 ILE 32 -13.878 8.438 0.905 385 2HD1 ILE 32 3HD1 ILE 32 -14.084 6.717 0.580 386 3HD1 ILE 32 2HD1 ILE 32 -15.495 7.734 0.855 387 MG ILE 32 QG2 ILE 32 -11.884 8.539 2.904 388 MD ILE 32 QD1 ILE 32 -14.486 7.630 0.780 389 QG ILE 32 QG1 ILE 32 -14.890 7.247 2.994 390 H SER 33 H SER 33 -12.099 5.019 4.852 391 HA SER 33 HA SER 33 -9.489 5.580 5.561 392 1HB SER 33 2HB SER 33 -11.244 4.922 7.157 393 2HB SER 33 1HB SER 33 -11.208 3.285 6.517 394 HG SER 33 HG SER 33 -9.161 4.670 7.875 395 QB SER 33 QB SER 33 -11.226 4.103 6.837 396 H PHE 34 H PHE 34 -10.693 2.454 4.256 397 HA PHE 34 HA PHE 34 -8.151 1.219 4.233 398 1HB PHE 34 2HB PHE 34 -10.534 0.613 2.464 399 2HB PHE 34 1HB PHE 34 -9.132 -0.429 2.654 400 HD1 PHE 34 1HD PHE 34 -12.371 -0.219 3.390 401 HD2 PHE 34 2HD PHE 34 -8.698 -0.722 5.427 402 HE1 PHE 34 1HE PHE 34 -13.559 -1.339 5.217 403 HE2 PHE 34 2HE PHE 34 -9.871 -1.856 7.280 404 HZ PHE 34 HZ PHE 34 -12.308 -2.164 7.180 405 QB PHE 34 QB PHE 34 -9.833 0.092 2.559 406 QD PHE 34 QD PHE 34 -10.535 -0.471 4.408 407 QE PHE 34 QE PHE 34 -11.715 -1.597 6.249 408 QR PHE 34 QR PHE 34 -11.361 -1.260 5.699 409 H SER 35 H SER 35 -9.821 3.205 1.924 410 HA SER 35 HA SER 35 -8.026 2.860 -0.220 411 1HB SER 35 2HB SER 35 -10.371 3.617 -0.491 412 2HB SER 35 1HB SER 35 -9.974 5.117 0.332 413 HG SER 35 HG SER 35 -9.686 5.716 -1.623 414 QB SER 35 QB SER 35 -10.172 4.367 -0.079 415 H GLN 36 H GLN 36 -8.080 5.040 2.542 416 HA GLN 36 HA GLN 36 -6.062 6.821 1.682 417 1HB GLN 36 2HB GLN 36 -6.740 5.933 4.493 418 2HB GLN 36 1HB GLN 36 -5.685 7.278 4.097 419 1HG GLN 36 2HG GLN 36 -8.622 7.068 3.493 420 2HG GLN 36 1HG GLN 36 -7.875 8.063 4.739 421 1HE2 GLN 36 1HE2 GLN 36 -8.529 7.719 1.365 422 2HE2 GLN 36 2HE2 GLN 36 -8.023 9.300 0.909 423 QB GLN 36 QB GLN 36 -6.212 6.606 4.295 424 QG GLN 36 QG GLN 36 -8.249 7.565 4.116 425 QE GLN 36 QE2 GLN 36 -8.276 8.510 1.137 426 H GLU 37 H GLU 37 -5.972 3.755 3.376 427 HA GLU 37 HA GLU 37 -3.176 3.628 3.807 428 1HB GLU 37 2HB GLU 37 -4.808 2.176 4.968 429 2HB GLU 37 1HB GLU 37 -5.148 1.372 3.442 430 1HG GLU 37 2HG GLU 37 -2.724 0.734 3.354 431 2HG GLU 37 1HG GLU 37 -2.583 1.328 5.005 432 QB GLU 37 QB GLU 37 -4.978 1.774 4.205 433 QG GLU 37 QG GLU 37 -2.654 1.031 4.179 434 H LEU 38 H LEU 38 -5.296 2.485 1.244 435 HA LEU 38 HA LEU 38 -3.510 1.066 -0.333 436 1HB LEU 38 2HB LEU 38 -6.000 1.144 -0.581 437 2HB LEU 38 1HB LEU 38 -5.861 2.752 -1.235 438 HG LEU 38 HG LEU 38 -6.320 0.924 -2.904 439 1HD1 LEU 38 2HD1 LEU 38 -3.794 2.486 -3.395 440 2HD1 LEU 38 1HD1 LEU 38 -4.783 1.696 -4.623 441 3HD1 LEU 38 3HD1 LEU 38 -5.441 3.041 -3.692 442 1HD2 LEU 38 1HD2 LEU 38 -3.510 0.132 -2.201 443 2HD2 LEU 38 3HD2 LEU 38 -4.982 -0.837 -2.033 444 3HD2 LEU 38 2HD2 LEU 38 -4.373 -0.396 -3.634 445 MD1 LEU 38 QD1 LEU 38 -4.673 2.408 -3.903 446 MD2 LEU 38 QD2 LEU 38 -4.288 -0.367 -2.623 447 QB LEU 38 QB LEU 38 -5.930 1.948 -0.908 448 QD LEU 38 QQD LEU 38 -4.480 1.021 -3.263 449 H ASP 39 H ASP 39 -4.447 4.457 -0.589 450 HA ASP 39 HA ASP 39 -2.688 5.188 -2.636 451 1HB ASP 39 2HB ASP 39 -4.541 6.608 -2.080 452 2HB ASP 39 1HB ASP 39 -3.965 6.808 -0.433 453 QB ASP 39 QB ASP 39 -4.253 6.708 -1.257 454 H ARG 40 H ARG 40 -2.234 5.022 0.823 455 HA ARG 40 HA ARG 40 0.277 6.336 0.971 456 1HB ARG 40 2HB ARG 40 -1.209 5.967 2.901 457 2HB ARG 40 1HB ARG 40 -0.936 4.245 2.772 458 1HG ARG 40 2HG ARG 40 1.401 4.537 3.359 459 2HG ARG 40 1HG ARG 40 1.182 6.290 3.414 460 1HD ARG 40 2HD ARG 40 -0.201 4.263 5.162 461 2HD ARG 40 1HD ARG 40 1.081 5.372 5.655 462 HE ARG 40 HE ARG 40 -0.532 7.173 4.962 463 1HH1 ARG 40 1HH1 ARG 40 -1.619 4.084 6.353 464 2HH1 ARG 40 2HH1 ARG 40 -3.088 4.683 6.933 465 1HH2 ARG 40 1HH2 ARG 40 -2.588 8.017 5.755 466 2HH2 ARG 40 2HH2 ARG 40 -3.687 7.020 6.555 467 QB ARG 40 QB ARG 40 -1.073 5.106 2.836 468 QG ARG 40 QG ARG 40 1.291 5.414 3.387 469 QD ARG 40 QD ARG 40 0.440 4.817 5.409 470 QH1 ARG 40 QH1 ARG 40 -2.354 4.384 6.643 471 QH2 ARG 40 QH2 ARG 40 -3.137 7.519 6.155 472 H LEU 41 H LEU 41 -0.659 2.933 0.721 473 HA LEU 41 HA LEU 41 1.889 1.779 0.778 474 1HB LEU 41 2HB LEU 41 -0.575 0.844 -0.682 475 2HB LEU 41 1HB LEU 41 0.851 -0.125 -0.374 476 HG LEU 41 HG LEU 41 -0.985 0.979 1.747 477 1HD1 LEU 41 1HD1 LEU 41 -2.065 -0.722 0.361 478 2HD1 LEU 41 3HD1 LEU 41 -0.721 -1.822 0.660 479 3HD1 LEU 41 2HD1 LEU 41 -1.764 -1.308 1.990 480 1HD2 LEU 41 2HD2 LEU 41 1.319 -0.968 1.910 481 2HD2 LEU 41 1HD2 LEU 41 1.309 0.680 2.538 482 3HD2 LEU 41 3HD2 LEU 41 0.238 -0.537 3.236 483 MD1 LEU 41 QD1 LEU 41 -1.517 -1.284 1.004 484 MD2 LEU 41 QD2 LEU 41 0.955 -0.275 2.561 485 QB LEU 41 QB LEU 41 0.138 0.360 -0.528 486 QD LEU 41 QQD LEU 41 -0.281 -0.780 1.783 487 H LEU 42 H LEU 42 -0.070 2.929 -1.906 488 HA LEU 42 HA LEU 42 1.684 2.257 -4.008 489 1HB LEU 42 2HB LEU 42 -0.613 2.894 -4.417 490 2HB LEU 42 1HB LEU 42 -0.324 4.496 -3.763 491 HG LEU 42 HG LEU 42 1.306 4.847 -5.651 492 1HD1 LEU 42 1HD1 LEU 42 1.710 2.548 -6.243 493 2HD1 LEU 42 3HD1 LEU 42 0.029 2.358 -6.745 494 3HD1 LEU 42 2HD1 LEU 42 1.100 3.453 -7.623 495 1HD2 LEU 42 1HD2 LEU 42 -1.596 4.388 -6.342 496 2HD2 LEU 42 3HD2 LEU 42 -0.886 5.856 -5.664 497 3HD2 LEU 42 2HD2 LEU 42 -0.453 5.340 -7.292 498 MD1 LEU 42 QD1 LEU 42 0.946 2.786 -6.871 499 MD2 LEU 42 QD2 LEU 42 -0.978 5.195 -6.433 500 QB LEU 42 QB LEU 42 -0.468 3.695 -4.090 501 QD LEU 42 QQD LEU 42 -0.016 3.991 -6.652 502 H ASN 43 H ASN 43 1.376 5.105 -1.982 503 HA ASN 43 HA ASN 43 3.218 6.738 -3.313 504 1HB ASN 43 2HB ASN 43 1.505 7.520 -1.683 505 2HB ASN 43 1HB ASN 43 2.469 6.815 -0.392 506 1HD2 ASN 43 1HD2 ASN 43 2.307 9.252 -2.809 507 2HD2 ASN 43 2HD2 ASN 43 3.525 10.295 -2.155 508 QB ASN 43 QB ASN 43 1.987 7.167 -1.038 509 QD ASN 43 QD2 ASN 43 2.916 9.773 -2.482 510 H LEU 44 H LEU 44 3.599 4.263 -0.917 511 HA LEU 44 HA LEU 44 6.230 4.785 -0.090 512 1HB LEU 44 2HB LEU 44 4.778 2.169 -0.374 513 2HB LEU 44 1HB LEU 44 6.331 2.336 0.414 514 HG LEU 44 HG LEU 44 3.778 3.660 1.330 515 1HD1 LEU 44 2HD1 LEU 44 3.727 1.224 1.552 516 2HD1 LEU 44 1HD1 LEU 44 5.249 1.274 2.436 517 3HD1 LEU 44 3HD1 LEU 44 3.801 2.016 3.122 518 1HD2 LEU 44 3HD2 LEU 44 6.507 3.456 2.599 519 2HD2 LEU 44 2HD2 LEU 44 5.764 4.923 1.954 520 3HD2 LEU 44 1HD2 LEU 44 5.067 4.131 3.362 521 MD1 LEU 44 QD1 LEU 44 4.259 1.505 2.370 522 MD2 LEU 44 QD2 LEU 44 5.779 4.170 2.638 523 QB LEU 44 QB LEU 44 5.554 2.253 0.020 524 QD LEU 44 QQD LEU 44 5.019 2.837 2.504 525 H LEU 45 H LEU 45 5.028 2.787 -2.781 526 HA LEU 45 HA LEU 45 7.555 1.925 -3.703 527 1HB LEU 45 2HB LEU 45 5.017 2.393 -5.275 528 2HB LEU 45 1HB LEU 45 6.422 1.542 -5.872 529 HG LEU 45 HG LEU 45 4.674 0.638 -3.584 530 1HD1 LEU 45 3HD1 LEU 45 4.904 -0.327 -6.430 531 2HD1 LEU 45 2HD1 LEU 45 3.951 -1.099 -5.158 532 3HD1 LEU 45 1HD1 LEU 45 3.531 0.519 -5.715 533 1HD2 LEU 45 1HD2 LEU 45 7.005 -0.110 -3.357 534 2HD2 LEU 45 3HD2 LEU 45 5.933 -1.454 -3.742 535 3HD2 LEU 45 2HD2 LEU 45 6.957 -0.752 -4.997 536 MD1 LEU 45 QD1 LEU 45 4.129 -0.302 -5.768 537 MD2 LEU 45 QD2 LEU 45 6.632 -0.772 -4.032 538 QB LEU 45 QB LEU 45 5.720 1.967 -5.574 539 QD LEU 45 QQD LEU 45 5.380 -0.537 -4.900 540 H ILE 46 H ILE 46 5.547 4.656 -4.495 541 HA ILE 46 HA ILE 46 7.134 5.771 -6.519 542 HB ILE 46 HB ILE 46 5.211 7.158 -4.617 543 1HG1 ILE 46 2HG1 ILE 46 4.764 6.066 -7.407 544 2HG1 ILE 46 1HG1 ILE 46 4.245 5.278 -5.926 545 1HG2 ILE 46 1HG2 ILE 46 6.699 8.767 -5.726 546 2HG2 ILE 46 3HG2 ILE 46 6.282 8.081 -7.295 547 3HG2 ILE 46 2HG2 ILE 46 5.052 8.906 -6.338 548 1HD1 ILE 46 1HD1 ILE 46 3.299 7.949 -6.930 549 2HD1 ILE 46 3HD1 ILE 46 2.410 6.429 -7.021 550 3HD1 ILE 46 2HD1 ILE 46 2.759 7.158 -5.451 551 MG ILE 46 QG2 ILE 46 6.011 8.585 -6.453 552 MD ILE 46 QD1 ILE 46 2.823 7.178 -6.467 553 QG ILE 46 QG1 ILE 46 4.504 5.672 -6.667 554 H GLU 47 H GLU 47 7.155 6.204 -3.017 555 HA GLU 47 HA GLU 47 9.031 8.294 -2.910 556 1HB GLU 47 2HB GLU 47 7.552 7.564 -1.018 557 2HB GLU 47 1HB GLU 47 8.578 6.151 -0.823 558 1HG GLU 47 2HG GLU 47 10.490 7.644 -0.400 559 2HG GLU 47 1HG GLU 47 9.399 9.025 -0.480 560 QB GLU 47 QB GLU 47 8.065 6.857 -0.920 561 QG GLU 47 QG GLU 47 9.944 8.335 -0.440 562 H LEU 48 H LEU 48 9.498 4.759 -2.692 563 HA LEU 48 HA LEU 48 12.305 4.906 -2.430 564 1HB LEU 48 2HB LEU 48 10.492 2.699 -3.352 565 2HB LEU 48 1HB LEU 48 12.213 2.527 -3.564 566 HG LEU 48 HG LEU 48 11.541 1.335 -1.604 567 1HD1 LEU 48 1HD1 LEU 48 13.702 2.371 -1.487 568 2HD1 LEU 48 3HD1 LEU 48 12.999 3.831 -0.785 569 3HD1 LEU 48 2HD1 LEU 48 12.952 2.313 0.104 570 1HD2 LEU 48 2HD2 LEU 48 10.391 3.922 -0.568 571 2HD2 LEU 48 1HD2 LEU 48 9.477 2.497 -1.053 572 3HD2 LEU 48 3HD2 LEU 48 10.535 2.426 0.357 573 MD1 LEU 48 QD1 LEU 48 13.218 2.839 -0.723 574 MD2 LEU 48 QD2 LEU 48 10.135 2.948 -0.422 575 QB LEU 48 QB LEU 48 11.352 2.613 -3.458 576 QD LEU 48 QQD LEU 48 11.676 2.893 -0.572 577 H LYS 49 H LYS 49 10.269 4.805 -5.260 578 HA LYS 49 HA LYS 49 12.395 4.587 -7.138 579 1HB LYS 49 2HB LYS 49 9.549 5.537 -7.498 580 2HB LYS 49 1HB LYS 49 10.676 5.261 -8.815 581 1HG LYS 49 2HG LYS 49 10.807 2.916 -8.288 582 2HG LYS 49 1HG LYS 49 9.825 3.149 -6.845 583 1HD LYS 49 2HD LYS 49 8.471 2.198 -8.625 584 2HD LYS 49 1HD LYS 49 7.934 3.841 -8.283 585 1HE LYS 49 2HE LYS 49 9.150 4.660 -10.223 586 2HE LYS 49 1HE LYS 49 9.768 3.037 -10.538 587 1HZ LYS 49 3HZ LYS 49 7.471 2.310 -10.906 588 2HZ LYS 49 2HZ LYS 49 6.910 3.873 -10.651 589 3HZ LYS 49 1HZ LYS 49 7.901 3.537 -11.956 590 QB LYS 49 QB LYS 49 10.113 5.399 -8.157 591 QD LYS 49 QD LYS 49 8.202 3.020 -8.454 592 QG LYS 49 QG LYS 49 10.316 3.033 -7.567 593 QE LYS 49 QE LYS 49 9.459 3.848 -10.381 594 QZ LYS 49 QZ LYS 49 7.427 3.240 -11.171 595 H THR 50 H THR 50 10.804 7.332 -5.632 596 HA THR 50 HA THR 50 12.065 9.199 -7.389 597 HB THR 50 HB THR 50 11.166 10.924 -5.689 598 HG1 THR 50 1HG THR 50 9.577 8.780 -4.828 599 1HG2 THR 50 2HG2 THR 50 9.282 9.017 -7.033 600 2HG2 THR 50 1HG2 THR 50 8.878 10.660 -6.515 601 3HG2 THR 50 3HG2 THR 50 10.066 10.403 -7.804 602 MG THR 50 QG2 THR 50 9.409 10.027 -7.117 603 H LYS 51 H LYS 51 12.675 8.011 -4.152 604 HA LYS 51 HA LYS 51 14.830 9.729 -3.597 605 1HB LYS 51 2HB LYS 51 14.098 6.999 -2.547 606 2HB LYS 51 1HB LYS 51 15.502 7.884 -1.977 607 1HG LYS 51 2HG LYS 51 14.119 9.651 -1.125 608 2HG LYS 51 1HG LYS 51 12.680 8.920 -1.840 609 1HD LYS 51 2HD LYS 51 12.778 7.070 -0.362 610 2HD LYS 51 1HD LYS 51 14.393 7.503 0.198 611 1HE LYS 51 2HE LYS 51 13.503 9.509 1.251 612 2HE LYS 51 1HE LYS 51 11.893 9.137 0.639 613 1HZ LYS 51 1HZ LYS 51 13.408 7.340 2.432 614 2HZ LYS 51 3HZ LYS 51 12.344 8.500 3.002 615 3HZ LYS 51 2HZ LYS 51 11.743 7.260 2.052 616 QB LYS 51 QB LYS 51 14.800 7.441 -2.262 617 QD LYS 51 QD LYS 51 13.586 7.286 -0.082 618 QG LYS 51 QG LYS 51 13.399 9.285 -1.482 619 QE LYS 51 QE LYS 51 12.698 9.323 0.945 620 QZ LYS 51 QZ LYS 51 12.498 7.700 2.495 621 H LYS 52 H LYS 52 14.600 6.549 -5.077 622 HA LYS 52 HA LYS 52 15.952 5.207 -6.267 623 1HB LYS 52 2HB LYS 52 17.135 6.144 -8.145 624 2HB LYS 52 1HB LYS 52 15.598 6.967 -7.933 625 1HG LYS 52 2HG LYS 52 16.615 8.922 -7.186 626 2HG LYS 52 1HG LYS 52 18.141 8.118 -6.828 627 1HD LYS 52 2HD LYS 52 18.310 9.467 -8.894 628 2HD LYS 52 1HD LYS 52 18.473 7.748 -9.251 629 1HE LYS 52 2HE LYS 52 16.070 7.699 -9.888 630 2HE LYS 52 1HE LYS 52 16.007 9.438 -9.619 631 1HZ LYS 52 3HZ LYS 52 17.659 9.721 -11.345 632 2HZ LYS 52 2HZ LYS 52 17.727 8.058 -11.584 633 3HZ LYS 52 1HZ LYS 52 16.309 8.902 -11.939 634 QB LYS 52 QB LYS 52 16.366 6.556 -8.039 635 QD LYS 52 QD LYS 52 18.391 8.608 -9.073 636 QG LYS 52 QG LYS 52 17.378 8.520 -7.007 637 QE LYS 52 QE LYS 52 16.038 8.568 -9.754 638 QZ LYS 52 QZ LYS 52 17.232 8.894 -11.622 639 H LYS 53 H LYS 53 17.105 6.331 -3.750 640 HA LYS 53 HA LYS 53 19.881 6.329 -4.234 641 1HB LYS 53 2HB LYS 53 20.113 6.544 -1.743 642 2HB LYS 53 1HB LYS 53 19.113 7.711 -2.615 643 1HG LYS 53 2HG LYS 53 18.086 7.177 -0.472 644 2HG LYS 53 1HG LYS 53 17.077 6.605 -1.798 645 1HD LYS 53 2HD LYS 53 17.793 4.343 -1.436 646 2HD LYS 53 1HD LYS 53 19.010 4.856 -0.273 647 1HE LYS 53 2HE LYS 53 16.024 5.177 0.075 648 2HE LYS 53 1HE LYS 53 16.976 3.874 0.774 649 1HZ LYS 53 2HZ LYS 53 18.249 5.554 2.004 650 2HZ LYS 53 1HZ LYS 53 17.247 6.777 1.402 651 3HZ LYS 53 3HZ LYS 53 16.629 5.571 2.408 652 QB LYS 53 QB LYS 53 19.613 7.128 -2.179 653 QD LYS 53 QD LYS 53 18.401 4.599 -0.855 654 QG LYS 53 QG LYS 53 17.581 6.891 -1.135 655 QE LYS 53 QE LYS 53 16.500 4.525 0.425 656 QZ LYS 53 QZ LYS 53 17.375 5.967 1.938 657 H ARG 54 H ARG 54 17.764 3.890 -4.021 658 HA ARG 54 HA ARG 54 19.887 1.938 -3.551 659 1HB ARG 54 2HB ARG 54 16.936 1.553 -4.171 660 2HB ARG 54 1HB ARG 54 18.088 0.246 -3.977 661 1HG ARG 54 2HG ARG 54 18.412 0.947 -1.624 662 2HG ARG 54 1HG ARG 54 17.150 2.166 -1.856 663 1HD ARG 54 2HD ARG 54 15.566 0.410 -2.484 664 2HD ARG 54 1HD ARG 54 16.820 -0.801 -2.253 665 HE ARG 54 HE ARG 54 16.455 0.730 0.090 666 1HH1 ARG 54 1HH1 ARG 54 15.053 -1.954 -1.793 667 2HH1 ARG 54 2HH1 ARG 54 14.202 -2.609 -0.493 668 1HH2 ARG 54 1HH2 ARG 54 15.242 -0.183 1.894 669 2HH2 ARG 54 2HH2 ARG 54 14.308 -1.579 1.662 670 QB ARG 54 QB ARG 54 17.512 0.899 -4.074 671 QG ARG 54 QG ARG 54 17.781 1.556 -1.740 672 QD ARG 54 QD ARG 54 16.193 -0.196 -2.369 673 QH1 ARG 54 QH1 ARG 54 14.627 -2.281 -1.143 674 QH2 ARG 54 QH2 ARG 54 14.775 -0.881 1.778 675 H TYR 55 H TYR 55 21.057 1.631 -5.303 676 HA TYR 55 HA TYR 55 20.211 2.804 -7.797 677 1HB TYR 55 2HB TYR 55 22.804 1.434 -7.100 678 2HB TYR 55 1HB TYR 55 22.504 2.475 -8.494 679 HD1 TYR 55 1HD TYR 55 21.666 4.863 -7.964 680 HD2 TYR 55 2HD TYR 55 23.629 2.367 -5.166 681 HE1 TYR 55 1HE TYR 55 22.242 6.849 -6.617 682 HE2 TYR 55 2HE TYR 55 24.219 4.338 -3.797 683 HH TYR 55 HH TYR 55 24.566 6.777 -4.275 684 QB TYR 55 QB TYR 55 22.654 1.954 -7.797 685 QD TYR 55 QD TYR 55 22.647 3.615 -6.565 686 QE TYR 55 QE TYR 55 23.230 5.594 -5.207 687 QR TYR 55 QR TYR 55 22.939 4.604 -5.886 688 H SER 56 H SER 56 19.040 0.395 -6.788 689 HA SER 56 HA SER 56 19.722 -1.902 -8.281 690 1HB SER 56 2HB SER 56 18.319 -1.813 -6.160 691 2HB SER 56 1HB SER 56 16.998 -1.195 -7.138 692 HG SER 56 HG SER 56 16.785 -3.131 -8.105 693 QB SER 56 QB SER 56 17.659 -1.504 -6.649 694 H LEU 57 H LEU 57 17.979 0.979 -9.024 695 HA LEU 57 HA LEU 57 16.513 0.062 -11.287 696 1HB LEU 57 2HB LEU 57 17.471 2.843 -10.595 697 2HB LEU 57 1HB LEU 57 16.265 2.457 -11.801 698 HG LEU 57 HG LEU 57 15.963 2.024 -8.825 699 1HD1 LEU 57 2HD1 LEU 57 15.965 4.390 -9.417 700 2HD1 LEU 57 1HD1 LEU 57 14.740 4.095 -10.649 701 3HD1 LEU 57 3HD1 LEU 57 14.347 3.861 -8.944 702 1HD2 LEU 57 1HD2 LEU 57 13.992 1.675 -11.091 703 2HD2 LEU 57 3HD2 LEU 57 14.688 0.388 -10.102 704 3HD2 LEU 57 2HD2 LEU 57 13.604 1.575 -9.375 705 MD1 LEU 57 QD1 LEU 57 15.018 4.115 -9.670 706 MD2 LEU 57 QD2 LEU 57 14.095 1.213 -10.189 707 QB LEU 57 QB LEU 57 16.868 2.650 -11.198 708 QD LEU 57 QQD LEU 57 14.556 2.664 -9.930 709 H LEU 58 H LEU 58 19.780 1.044 -10.709 710 HA LEU 58 HA LEU 58 20.342 1.333 -13.549 711 1HB LEU 58 2HB LEU 58 22.101 1.842 -11.136 712 2HB LEU 58 1HB LEU 58 22.644 2.000 -12.790 713 HG LEU 58 HG LEU 58 20.879 3.821 -13.054 714 1HD1 LEU 58 2HD1 LEU 58 19.504 3.302 -11.131 715 2HD1 LEU 58 1HD1 LEU 58 20.839 3.692 -10.048 716 3HD1 LEU 58 3HD1 LEU 58 20.111 4.955 -11.046 717 1HD2 LEU 58 2HD2 LEU 58 23.135 4.266 -11.107 718 2HD2 LEU 58 1HD2 LEU 58 23.248 4.326 -12.864 719 3HD2 LEU 58 3HD2 LEU 58 22.288 5.529 -12.002 720 MD1 LEU 58 QD1 LEU 58 20.151 3.983 -10.741 721 MD2 LEU 58 QD2 LEU 58 22.891 4.707 -11.991 722 QB LEU 58 QB LEU 58 22.372 1.921 -11.963 723 QD LEU 58 QQD LEU 58 21.521 4.345 -11.366 724 H GLU 59 H GLU 59 21.526 -0.466 -10.711 725 HA GLU 59 HA GLU 59 22.045 -2.720 -12.420 726 1HB GLU 59 2HB GLU 59 24.215 -3.119 -11.266 727 2HB GLU 59 1HB GLU 59 24.235 -1.660 -12.235 728 1HG GLU 59 2HG GLU 59 23.988 -0.294 -10.229 729 2HG GLU 59 1HG GLU 59 23.872 -1.753 -9.245 730 QB GLU 59 QB GLU 59 24.225 -2.389 -11.750 731 QG GLU 59 QG GLU 59 23.930 -1.023 -9.737 732 H HIS 60 H HIS 60 21.425 -4.542 -11.423 733 HA HIS 60 HA HIS 60 19.989 -4.213 -8.947 734 1HB HIS 60 2HB HIS 60 19.147 -5.752 -10.769 735 2HB HIS 60 1HB HIS 60 20.471 -6.849 -10.377 736 HD1 HIS 60 1HD HIS 60 20.233 -8.246 -8.133 737 HD2 HIS 60 2HD HIS 60 17.057 -5.677 -8.935 738 HE1 HIS 60 1HE HIS 60 18.425 -8.845 -6.507 739 QB HIS 60 QB HIS 60 19.809 -6.300 -10.573 740 H HIS 61 H HIS 61 21.468 -3.705 -7.498 741 HA HIS 61 HA HIS 61 23.752 -5.318 -7.067 742 1HB HIS 61 2HB HIS 61 24.134 -3.845 -5.039 743 2HB HIS 61 1HB HIS 61 24.099 -3.027 -6.587 744 HD1 HIS 61 1HD HIS 61 21.756 -3.586 -3.582 745 HD2 HIS 61 2HD HIS 61 22.419 -0.930 -6.708 746 HE1 HIS 61 1HE HIS 61 20.246 -1.637 -3.171 747 QB HIS 61 QB HIS 61 24.116 -3.436 -5.813 748 H HIS 62 H HIS 62 23.934 -7.016 -5.961 749 HA HIS 62 HA HIS 62 21.841 -7.863 -4.089 750 1HB HIS 62 2HB HIS 62 24.296 -9.380 -5.045 751 2HB HIS 62 1HB HIS 62 22.916 -10.058 -4.187 752 HD1 HIS 62 1HD HIS 62 24.127 -9.124 -7.586 753 HD2 HIS 62 2HD HIS 62 20.588 -10.360 -5.782 754 HE1 HIS 62 1HE HIS 62 22.584 -9.705 -9.444 755 QB HIS 62 QB HIS 62 23.606 -9.719 -4.616 756 H HIS 63 H HIS 63 24.753 -6.358 -4.336 757 HA HIS 63 HA HIS 63 25.929 -6.943 -1.797 758 1HB HIS 63 2HB HIS 63 27.296 -6.252 -3.740 759 2HB HIS 63 1HB HIS 63 26.413 -4.739 -3.831 760 HD1 HIS 63 1HD HIS 63 29.184 -6.440 -1.984 761 HD2 HIS 63 2HD HIS 63 27.180 -2.812 -1.983 762 HE1 HIS 63 1HE HIS 63 30.569 -4.873 -0.566 763 QB HIS 63 QB HIS 63 26.855 -5.495 -3.785 764 H HIS 64 H HIS 64 24.372 -6.559 -0.253 765 HA HIS 64 HA HIS 64 23.521 -3.813 0.038 766 1HB HIS 64 2HB HIS 64 22.274 -6.426 0.874 767 2HB HIS 64 1HB HIS 64 21.762 -4.867 1.493 768 HD1 HIS 64 1HD HIS 64 20.709 -7.243 -0.875 769 HD2 HIS 64 2HD HIS 64 21.135 -3.114 -0.965 770 HE1 HIS 64 1HE HIS 64 19.254 -6.438 -2.757 771 QB HIS 64 QB HIS 64 22.018 -5.646 1.184 No H/Q in entry = 771 Start of MODEL 15 1 H1 MET 1 2HT MET 1 15.908 -5.744 0.103 2 H2 MET 1 1HT MET 1 16.065 -4.158 -0.393 3 H3 MET 1 3HT MET 1 16.234 -4.548 1.243 4 HA MET 1 HA MET 1 13.917 -5.243 1.292 5 1HB MET 1 2HB MET 1 12.872 -3.019 1.025 6 2HB MET 1 1HB MET 1 14.394 -2.913 1.892 7 1HG MET 1 2HG MET 1 15.475 -2.141 -0.186 8 2HG MET 1 1HG MET 1 13.911 -2.212 -0.996 9 1HE MET 1 2HE MET 1 15.744 0.328 -1.001 10 2HE MET 1 1HE MET 1 14.154 0.346 -1.759 11 3HE MET 1 3HE MET 1 14.614 1.636 -0.645 12 QB MET 1 QB MET 1 13.633 -2.966 1.458 13 QG MET 1 QG MET 1 14.693 -2.177 -0.591 14 ME MET 1 QE MET 1 14.837 0.770 -1.135 15 H ASN 2 H ASN 2 12.004 -5.722 0.189 16 HA ASN 2 HA ASN 2 12.297 -5.691 -2.735 17 1HB ASN 2 2HB ASN 2 10.726 -7.616 -1.002 18 2HB ASN 2 1HB ASN 2 10.639 -7.575 -2.753 19 1HD2 ASN 2 1HD2 ASN 2 12.456 -8.546 -0.011 20 2HD2 ASN 2 2HD2 ASN 2 13.680 -9.409 -0.877 21 QB ASN 2 QB ASN 2 10.683 -7.595 -1.878 22 QD ASN 2 QD2 ASN 2 13.068 -8.978 -0.444 23 H VAL 3 H VAL 3 11.113 -4.197 -3.656 24 HA VAL 3 HA VAL 3 8.882 -3.000 -2.302 25 HB VAL 3 HB VAL 3 8.541 -1.637 -4.319 26 1HG1 VAL 3 1HG1 VAL 3 11.413 -1.815 -3.446 27 2HG1 VAL 3 3HG1 VAL 3 10.705 -0.459 -4.324 28 3HG1 VAL 3 2HG1 VAL 3 10.133 -0.850 -2.701 29 1HG2 VAL 3 1HG2 VAL 3 10.781 -3.268 -5.533 30 2HG2 VAL 3 3HG2 VAL 3 9.097 -3.254 -6.050 31 3HG2 VAL 3 2HG2 VAL 3 10.091 -1.810 -6.241 32 MG1 VAL 3 QG1 VAL 3 10.750 -1.041 -3.490 33 MG2 VAL 3 QG2 VAL 3 9.990 -2.777 -5.941 34 QG VAL 3 QQG VAL 3 10.370 -1.909 -4.716 35 H THR 4 H THR 4 9.263 -5.580 -4.499 36 HA THR 4 HA THR 4 6.721 -5.523 -5.671 37 HB THR 4 HB THR 4 8.695 -6.794 -6.577 38 HG1 THR 4 1HG THR 4 7.360 -8.689 -7.143 39 1HG2 THR 4 3HG2 THR 4 9.407 -7.899 -4.504 40 2HG2 THR 4 2HG2 THR 4 7.908 -8.810 -4.474 41 3HG2 THR 4 1HG2 THR 4 9.078 -9.091 -5.764 42 MG THR 4 QG2 THR 4 8.797 -8.600 -4.914 43 H LYS 5 H LYS 5 7.765 -6.756 -2.565 44 HA LYS 5 HA LYS 5 5.425 -8.363 -2.201 45 1HB LYS 5 2HB LYS 5 6.129 -8.691 0.133 46 2HB LYS 5 1HB LYS 5 7.471 -8.948 -0.951 47 1HG LYS 5 2HG LYS 5 8.432 -7.805 0.841 48 2HG LYS 5 1HG LYS 5 8.145 -6.524 -0.327 49 1HD LYS 5 2HD LYS 5 6.121 -5.864 0.882 50 2HD LYS 5 1HD LYS 5 6.355 -7.191 2.020 51 1HE LYS 5 2HE LYS 5 8.484 -6.204 2.724 52 2HE LYS 5 1HE LYS 5 8.249 -4.878 1.590 53 1HZ LYS 5 2HZ LYS 5 6.241 -4.254 2.854 54 2HZ LYS 5 1HZ LYS 5 6.524 -5.484 3.952 55 3HZ LYS 5 3HZ LYS 5 7.601 -4.208 3.809 56 QB LYS 5 QB LYS 5 6.800 -8.819 -0.409 57 QD LYS 5 QD LYS 5 6.238 -6.528 1.451 58 QG LYS 5 QG LYS 5 8.289 -7.164 0.257 59 QE LYS 5 QE LYS 5 8.366 -5.541 2.157 60 QZ LYS 5 QZ LYS 5 6.789 -4.649 3.538 61 H LEU 6 H LEU 6 6.226 -5.103 -1.707 62 HA LEU 6 HA LEU 6 4.033 -4.412 -0.028 63 1HB LEU 6 2HB LEU 6 6.124 -3.085 -0.195 64 2HB LEU 6 1HB LEU 6 5.742 -2.779 -1.875 65 HG LEU 6 HG LEU 6 3.920 -1.309 -1.275 66 1HD1 LEU 6 1HD1 LEU 6 3.097 -2.535 0.695 67 2HD1 LEU 6 3HD1 LEU 6 4.527 -2.012 1.586 68 3HD1 LEU 6 2HD1 LEU 6 3.352 -0.821 1.028 69 1HD2 LEU 6 3HD2 LEU 6 6.362 -0.788 0.400 70 2HD2 LEU 6 2HD2 LEU 6 6.161 -0.383 -1.308 71 3HD2 LEU 6 1HD2 LEU 6 5.157 0.401 -0.086 72 MD1 LEU 6 QD1 LEU 6 3.659 -1.789 1.103 73 MD2 LEU 6 QD2 LEU 6 5.893 -0.257 -0.331 74 QB LEU 6 QB LEU 6 5.933 -2.932 -1.035 75 QD LEU 6 QQD LEU 6 4.776 -1.023 0.386 76 H ASN 7 H ASN 7 4.744 -4.347 -3.468 77 HA ASN 7 HA ASN 7 2.327 -3.186 -4.283 78 1HB ASN 7 2HB ASN 7 4.449 -3.347 -5.668 79 2HB ASN 7 1HB ASN 7 4.071 -5.039 -5.924 80 1HD2 ASN 7 1HD2 ASN 7 2.566 -5.583 -7.470 81 2HD2 ASN 7 2HD2 ASN 7 1.774 -4.403 -8.455 82 QB ASN 7 QB ASN 7 4.260 -4.193 -5.796 83 QD ASN 7 QD2 ASN 7 2.170 -4.993 -7.962 84 H ASP 8 H ASP 8 3.311 -6.467 -3.655 85 HA ASP 8 HA ASP 8 1.038 -7.857 -4.628 86 1HB ASP 8 2HB ASP 8 3.147 -9.006 -4.034 87 2HB ASP 8 1HB ASP 8 2.900 -8.570 -2.352 88 QB ASP 8 QB ASP 8 3.023 -8.788 -3.193 89 H ARG 9 H ARG 9 1.831 -6.440 -1.494 90 HA ARG 9 HA ARG 9 -0.552 -7.261 -0.212 91 1HB ARG 9 2HB ARG 9 1.303 -4.974 0.455 92 2HB ARG 9 1HB ARG 9 -0.011 -5.518 1.491 93 1HG ARG 9 2HG ARG 9 1.071 -7.735 1.636 94 2HG ARG 9 1HG ARG 9 2.413 -7.108 0.676 95 1HD ARG 9 2HD ARG 9 2.990 -7.036 3.014 96 2HD ARG 9 1HD ARG 9 2.791 -5.393 2.399 97 HE ARG 9 HE ARG 9 0.352 -6.190 3.426 98 1HH1 ARG 9 1HH1 ARG 9 3.591 -5.529 4.683 99 2HH1 ARG 9 2HH1 ARG 9 3.044 -5.096 6.230 100 1HH2 ARG 9 1HH2 ARG 9 -0.380 -5.626 5.530 101 2HH2 ARG 9 2HH2 ARG 9 0.731 -5.168 6.741 102 QB ARG 9 QB ARG 9 0.646 -5.246 0.973 103 QG ARG 9 QG ARG 9 1.742 -7.421 1.156 104 QD ARG 9 QD ARG 9 2.890 -6.215 2.707 105 QH1 ARG 9 QH1 ARG 9 3.318 -5.313 5.457 106 QH2 ARG 9 QH2 ARG 9 0.176 -5.397 6.135 107 H ILE 10 H ILE 10 0.325 -4.401 -2.049 108 HA ILE 10 HA ILE 10 -1.998 -2.901 -1.712 109 HB ILE 10 HB ILE 10 -0.227 -3.165 -4.165 110 1HG1 ILE 10 2HG1 ILE 10 -0.369 -1.039 -2.022 111 2HG1 ILE 10 1HG1 ILE 10 0.884 -2.268 -2.167 112 1HG2 ILE 10 1HG2 ILE 10 -2.424 -2.346 -4.885 113 2HG2 ILE 10 3HG2 ILE 10 -2.366 -1.088 -3.653 114 3HG2 ILE 10 2HG2 ILE 10 -1.221 -1.072 -4.993 115 1HD1 ILE 10 3HD1 ILE 10 0.307 -0.078 -4.145 116 2HD1 ILE 10 2HD1 ILE 10 1.645 -0.119 -2.991 117 3HD1 ILE 10 1HD1 ILE 10 1.576 -1.296 -4.304 118 MG ILE 10 QG2 ILE 10 -2.004 -1.502 -4.510 119 MD ILE 10 QD1 ILE 10 1.176 -0.498 -3.813 120 QG ILE 10 QG1 ILE 10 0.258 -1.653 -2.094 121 H GLU 11 H GLU 11 -1.275 -5.577 -3.843 122 HA GLU 11 HA GLU 11 -3.557 -5.529 -5.468 123 1HB GLU 11 2HB GLU 11 -1.374 -6.947 -5.581 124 2HB GLU 11 1HB GLU 11 -2.277 -8.093 -4.604 125 1HG GLU 11 2HG GLU 11 -2.468 -8.719 -6.896 126 2HG GLU 11 1HG GLU 11 -4.033 -8.096 -6.360 127 QB GLU 11 QB GLU 11 -1.825 -7.520 -5.093 128 QG GLU 11 QG GLU 11 -3.251 -8.407 -6.628 129 H ALA 12 H ALA 12 -2.959 -7.096 -2.367 130 HA ALA 12 HA ALA 12 -5.487 -8.385 -2.186 131 1HB ALA 12 3HB ALA 12 -3.528 -9.144 -0.908 132 2HB ALA 12 1HB ALA 12 -4.899 -8.804 0.147 133 3HB ALA 12 2HB ALA 12 -3.572 -7.650 0.029 134 MB ALA 12 QB ALA 12 -3.999 -8.533 -0.244 135 H LYS 13 H LYS 13 -4.282 -5.268 -1.232 136 HA LYS 13 HA LYS 13 -6.586 -4.577 0.322 137 1HB LYS 13 2HB LYS 13 -4.321 -2.895 -0.754 138 2HB LYS 13 1HB LYS 13 -5.601 -2.253 0.253 139 1HG LYS 13 2HG LYS 13 -3.687 -4.445 1.060 140 2HG LYS 13 1HG LYS 13 -3.530 -2.749 1.505 141 1HD LYS 13 2HD LYS 13 -5.873 -4.523 2.237 142 2HD LYS 13 1HD LYS 13 -4.524 -4.140 3.300 143 1HE LYS 13 2HE LYS 13 -5.111 -1.764 3.200 144 2HE LYS 13 1HE LYS 13 -6.444 -2.133 2.112 145 1HZ LYS 13 3HZ LYS 13 -6.219 -3.250 4.840 146 2HZ LYS 13 2HZ LYS 13 -7.064 -1.842 4.492 147 3HZ LYS 13 1HZ LYS 13 -7.544 -3.334 3.795 148 QB LYS 13 QB LYS 13 -4.961 -2.574 -0.250 149 QD LYS 13 QD LYS 13 -5.199 -4.332 2.768 150 QG LYS 13 QG LYS 13 -3.609 -3.597 1.282 151 QE LYS 13 QE LYS 13 -5.778 -1.948 2.656 152 QZ LYS 13 QZ LYS 13 -6.943 -2.808 4.376 153 H LYS 14 H LYS 14 -5.548 -4.039 -2.968 154 HA LYS 14 HA LYS 14 -7.522 -2.246 -3.837 155 1HB LYS 14 2HB LYS 14 -6.089 -4.458 -5.317 156 2HB LYS 14 1HB LYS 14 -7.149 -3.297 -6.098 157 1HG LYS 14 2HG LYS 14 -5.667 -1.510 -5.670 158 2HG LYS 14 1HG LYS 14 -4.747 -2.461 -4.500 159 1HD LYS 14 2HD LYS 14 -3.526 -2.251 -6.609 160 2HD LYS 14 1HD LYS 14 -3.962 -3.927 -6.308 161 1HE LYS 14 2HE LYS 14 -5.954 -3.505 -7.810 162 2HE LYS 14 1HE LYS 14 -5.152 -1.967 -8.196 163 1HZ LYS 14 1HZ LYS 14 -3.237 -3.210 -8.991 164 2HZ LYS 14 3HZ LYS 14 -4.007 -4.670 -8.597 165 3HZ LYS 14 2HZ LYS 14 -4.623 -3.690 -9.825 166 QB LYS 14 QB LYS 14 -6.619 -3.877 -5.707 167 QD LYS 14 QD LYS 14 -3.744 -3.089 -6.459 168 QG LYS 14 QG LYS 14 -5.207 -1.985 -5.085 169 QE LYS 14 QE LYS 14 -5.553 -2.736 -8.003 170 QZ LYS 14 QZ LYS 14 -3.956 -3.857 -9.138 171 H LYS 15 H LYS 15 -7.462 -5.786 -3.987 172 HA LYS 15 HA LYS 15 -10.032 -6.094 -5.093 173 1HB LYS 15 2HB LYS 15 -8.445 -8.043 -3.414 174 2HB LYS 15 1HB LYS 15 -9.853 -8.447 -4.389 175 1HG LYS 15 2HG LYS 15 -8.658 -7.830 -6.420 176 2HG LYS 15 1HG LYS 15 -7.255 -7.351 -5.463 177 1HD LYS 15 2HD LYS 15 -6.871 -9.545 -6.398 178 2HD LYS 15 1HD LYS 15 -7.065 -9.692 -4.654 179 1HE LYS 15 2HE LYS 15 -9.412 -10.382 -4.997 180 2HE LYS 15 1HE LYS 15 -9.181 -10.254 -6.737 181 1HZ LYS 15 2HZ LYS 15 -7.427 -11.970 -6.525 182 2HZ LYS 15 1HZ LYS 15 -7.771 -12.123 -4.910 183 3HZ LYS 15 3HZ LYS 15 -8.944 -12.535 -6.045 184 QB LYS 15 QB LYS 15 -9.149 -8.245 -3.902 185 QD LYS 15 QD LYS 15 -6.968 -9.618 -5.526 186 QG LYS 15 QG LYS 15 -7.956 -7.591 -5.941 187 QE LYS 15 QE LYS 15 -9.297 -10.318 -5.867 188 QZ LYS 15 QZ LYS 15 -8.047 -12.209 -5.827 189 H GLU 16 H GLU 16 -8.907 -6.024 -1.781 190 HA GLU 16 HA GLU 16 -11.278 -6.671 -0.445 191 1HB GLU 16 2HB GLU 16 -9.092 -6.630 0.629 192 2HB GLU 16 1HB GLU 16 -8.962 -4.908 0.340 193 1HG GLU 16 2HG GLU 16 -10.810 -4.509 1.888 194 2HG GLU 16 1HG GLU 16 -10.945 -6.250 2.166 195 QB GLU 16 QB GLU 16 -9.027 -5.769 0.485 196 QG GLU 16 QG GLU 16 -10.878 -5.380 2.027 197 H LEU 17 H LEU 17 -9.885 -3.523 -1.348 198 HA LEU 17 HA LEU 17 -11.948 -1.962 -0.308 199 1HB LEU 17 2HB LEU 17 -9.750 -1.062 -0.874 200 2HB LEU 17 1HB LEU 17 -10.059 -1.339 -2.575 201 HG LEU 17 HG LEU 17 -11.894 0.317 -2.497 202 1HD1 LEU 17 1HD1 LEU 17 -10.956 0.761 0.324 203 2HD1 LEU 17 3HD1 LEU 17 -12.106 1.782 -0.533 204 3HD1 LEU 17 2HD1 LEU 17 -12.519 0.110 -0.147 205 1HD2 LEU 17 2HD2 LEU 17 -9.647 1.005 -3.166 206 2HD2 LEU 17 1HD2 LEU 17 -10.478 2.298 -2.298 207 3HD2 LEU 17 3HD2 LEU 17 -9.248 1.335 -1.480 208 MD1 LEU 17 QD1 LEU 17 -11.860 0.885 -0.118 209 MD2 LEU 17 QD2 LEU 17 -9.791 1.546 -2.315 210 QB LEU 17 QB LEU 17 -9.904 -1.201 -1.725 211 QD LEU 17 QQD LEU 17 -10.826 1.215 -1.217 212 H ILE 18 H ILE 18 -11.426 -3.222 -3.585 213 HA ILE 18 HA ILE 18 -13.622 -2.079 -4.866 214 HB ILE 18 HB ILE 18 -12.415 -4.830 -5.337 215 1HG1 ILE 18 2HG1 ILE 18 -11.997 -2.232 -6.834 216 2HG1 ILE 18 1HG1 ILE 18 -10.879 -2.900 -5.647 217 1HG2 ILE 18 3HG2 ILE 18 -14.671 -4.760 -6.273 218 2HG2 ILE 18 2HG2 ILE 18 -14.283 -3.270 -7.132 219 3HG2 ILE 18 1HG2 ILE 18 -13.462 -4.771 -7.560 220 1HD1 ILE 18 2HD1 ILE 18 -10.539 -4.847 -7.084 221 2HD1 ILE 18 1HD1 ILE 18 -11.654 -4.167 -8.266 222 3HD1 ILE 18 3HD1 ILE 18 -10.132 -3.350 -7.919 223 MG ILE 18 QG2 ILE 18 -14.139 -4.267 -6.988 224 MD ILE 18 QD1 ILE 18 -10.775 -4.121 -7.756 225 QG ILE 18 QG1 ILE 18 -11.438 -2.566 -6.240 226 H TYR 19 H TYR 19 -13.461 -5.084 -3.016 227 HA TYR 19 HA TYR 19 -16.107 -5.922 -3.411 228 1HB TYR 19 2HB TYR 19 -14.363 -7.405 -2.497 229 2HB TYR 19 1HB TYR 19 -14.277 -6.426 -1.042 230 HD1 TYR 19 1HD TYR 19 -16.469 -8.689 -2.991 231 HD2 TYR 19 2HD TYR 19 -15.779 -6.825 0.768 232 HE1 TYR 19 1HE TYR 19 -18.205 -10.105 -1.972 233 HE2 TYR 19 2HE TYR 19 -17.516 -8.235 1.793 234 HH TYR 19 HH TYR 19 -18.788 -10.949 0.258 235 QB TYR 19 QB TYR 19 -14.320 -6.915 -1.769 236 QD TYR 19 QD TYR 19 -16.124 -7.757 -1.111 237 QE TYR 19 QE TYR 19 -17.860 -9.170 -0.089 238 QR TYR 19 QR TYR 19 -16.992 -8.464 -0.600 239 H LEU 20 H LEU 20 -14.650 -3.871 -0.952 240 HA LEU 20 HA LEU 20 -17.066 -3.578 0.509 241 1HB LEU 20 2HB LEU 20 -14.582 -1.883 0.616 242 2HB LEU 20 1HB LEU 20 -15.873 -1.890 1.803 243 HG LEU 20 HG LEU 20 -13.969 -4.154 1.204 244 1HD1 LEU 20 1HD1 LEU 20 -12.988 -2.369 2.501 245 2HD1 LEU 20 3HD1 LEU 20 -14.346 -2.454 3.629 246 3HD1 LEU 20 2HD1 LEU 20 -13.238 -3.818 3.481 247 1HD2 LEU 20 2HD2 LEU 20 -16.182 -5.042 1.731 248 2HD2 LEU 20 1HD2 LEU 20 -15.043 -5.344 3.041 249 3HD2 LEU 20 3HD2 LEU 20 -16.230 -4.055 3.190 250 MD1 LEU 20 QD1 LEU 20 -13.524 -2.880 3.204 251 MD2 LEU 20 QD2 LEU 20 -15.819 -4.813 2.654 252 QB LEU 20 QB LEU 20 -15.228 -1.887 1.209 253 QD LEU 20 QQD LEU 20 -14.671 -3.847 2.929 254 H VAL 21 H VAL 21 -15.540 -1.688 -2.023 255 HA VAL 21 HA VAL 21 -17.325 0.502 -1.842 256 HB VAL 21 HB VAL 21 -15.787 -0.486 -4.288 257 1HG1 VAL 21 2HG1 VAL 21 -17.080 2.200 -3.784 258 2HG1 VAL 21 1HG1 VAL 21 -16.069 1.791 -5.171 259 3HG1 VAL 21 3HG1 VAL 21 -17.616 0.980 -4.940 260 1HG2 VAL 21 2HG2 VAL 21 -14.320 0.103 -2.435 261 2HG2 VAL 21 1HG2 VAL 21 -14.180 1.280 -3.740 262 3HG2 VAL 21 3HG2 VAL 21 -15.109 1.673 -2.294 263 MG1 VAL 21 QG1 VAL 21 -16.922 1.657 -4.632 264 MG2 VAL 21 QG2 VAL 21 -14.536 1.018 -2.823 265 QG VAL 21 QQG VAL 21 -15.729 1.338 -3.727 266 H GLU 22 H GLU 22 -17.447 -2.542 -3.570 267 HA GLU 22 HA GLU 22 -19.891 -2.045 -4.900 268 1HB GLU 22 2HB GLU 22 -18.523 -4.629 -4.188 269 2HB GLU 22 1HB GLU 22 -20.005 -4.543 -5.133 270 1HG GLU 22 2HG GLU 22 -17.373 -3.293 -5.874 271 2HG GLU 22 1HG GLU 22 -18.042 -4.782 -6.548 272 QB GLU 22 QB GLU 22 -19.264 -4.586 -4.661 273 QG GLU 22 QG GLU 22 -17.708 -4.038 -6.211 274 H LYS 23 H LYS 23 -19.204 -3.716 -1.863 275 HA LYS 23 HA LYS 23 -22.000 -4.311 -1.478 276 1HB LYS 23 2HB LYS 23 -19.671 -4.794 0.376 277 2HB LYS 23 1HB LYS 23 -21.292 -5.440 0.577 278 1HG LYS 23 2HG LYS 23 -19.446 -6.057 -1.728 279 2HG LYS 23 1HG LYS 23 -19.732 -7.100 -0.337 280 1HD LYS 23 2HD LYS 23 -22.074 -7.323 -0.959 281 2HD LYS 23 1HD LYS 23 -21.843 -6.208 -2.304 282 1HE LYS 23 2HE LYS 23 -20.279 -7.766 -3.338 283 2HE LYS 23 1HE LYS 23 -20.468 -8.878 -1.981 284 1HZ LYS 23 1HZ LYS 23 -22.647 -8.037 -3.810 285 2HZ LYS 23 3HZ LYS 23 -21.831 -9.509 -3.902 286 3HZ LYS 23 2HZ LYS 23 -22.795 -9.129 -2.554 287 QB LYS 23 QB LYS 23 -20.481 -5.117 0.476 288 QD LYS 23 QD LYS 23 -21.959 -6.765 -1.631 289 QG LYS 23 QG LYS 23 -19.589 -6.578 -1.032 290 QE LYS 23 QE LYS 23 -20.374 -8.322 -2.660 291 QZ LYS 23 QZ LYS 23 -22.424 -8.892 -3.422 292 H TYR 24 H TYR 24 -19.674 -2.201 0.198 293 HA TYR 24 HA TYR 24 -21.771 -1.259 1.978 294 1HB TYR 24 2HB TYR 24 -18.808 -0.629 1.814 295 2HB TYR 24 1HB TYR 24 -19.893 0.110 2.979 296 HD1 TYR 24 1HD TYR 24 -20.154 -0.880 5.040 297 HD2 TYR 24 2HD TYR 24 -18.737 -3.260 1.836 298 HE1 TYR 24 1HE TYR 24 -19.834 -2.760 6.593 299 HE2 TYR 24 2HE TYR 24 -18.400 -5.147 3.368 300 HH TYR 24 HH TYR 24 -18.084 -5.532 5.718 301 QB TYR 24 QB TYR 24 -19.350 -0.259 2.396 302 QD TYR 24 QD TYR 24 -19.445 -2.070 3.438 303 QE TYR 24 QE TYR 24 -19.117 -3.953 4.981 304 QR TYR 24 QR TYR 24 -19.281 -3.012 4.209 305 H GLY 25 H GLY 25 -19.605 -0.026 -0.471 306 1HA GLY 25 1HA GLY 25 -21.479 2.211 -0.864 307 2HA GLY 25 2HA GLY 25 -20.481 1.506 -2.136 308 QA GLY 25 QA GLY 25 -20.980 1.859 -1.500 309 H PHE 26 H PHE 26 -20.002 3.867 -2.337 310 HA PHE 26 HA PHE 26 -17.495 4.339 -0.996 311 1HB PHE 26 2HB PHE 26 -17.283 6.261 -2.621 312 2HB PHE 26 1HB PHE 26 -17.398 4.677 -3.360 313 HD1 PHE 26 1HD PHE 26 -19.046 7.902 -2.889 314 HD2 PHE 26 2HD PHE 26 -19.369 4.045 -4.643 315 HE1 PHE 26 1HE PHE 26 -20.881 8.706 -4.311 316 HE2 PHE 26 2HE PHE 26 -21.205 4.836 -6.067 317 HZ PHE 26 HZ PHE 26 -21.969 7.172 -5.900 318 QB PHE 26 QB PHE 26 -17.340 5.469 -2.990 319 QD PHE 26 QD PHE 26 -19.207 5.973 -3.766 320 QE PHE 26 QE PHE 26 -21.043 6.771 -5.189 321 QR PHE 26 QR PHE 26 -20.494 6.532 -4.762 322 H THR 27 H THR 27 -16.997 6.656 -0.339 323 HA THR 27 HA THR 27 -17.256 8.334 1.108 324 HB THR 27 HB THR 27 -20.216 8.371 0.410 325 HG1 THR 27 1HG THR 27 -17.928 8.832 -1.118 326 1HG2 THR 27 1HG2 THR 27 -19.399 10.001 2.120 327 2HG2 THR 27 3HG2 THR 27 -18.210 10.590 0.954 328 3HG2 THR 27 2HG2 THR 27 -19.935 10.802 0.646 329 MG THR 27 QG2 THR 27 -19.181 10.464 1.240 330 H HIS 28 H HIS 28 -17.689 5.561 1.907 331 HA HIS 28 HA HIS 28 -19.196 5.912 4.390 332 1HB HIS 28 2HB HIS 28 -19.889 3.976 3.022 333 2HB HIS 28 1HB HIS 28 -18.230 3.408 2.951 334 HD1 HIS 28 1HD HIS 28 -21.231 3.480 5.239 335 HD2 HIS 28 2HD HIS 28 -17.336 2.067 5.161 336 HE1 HIS 28 1HE HIS 28 -21.030 1.894 7.172 337 QB HIS 28 QB HIS 28 -19.059 3.692 2.987 338 H HIS 29 H HIS 29 -18.067 5.738 6.344 339 HA HIS 29 HA HIS 29 -15.492 6.721 6.417 340 1HB HIS 29 2HB HIS 29 -16.971 5.253 8.600 341 2HB HIS 29 1HB HIS 29 -15.437 6.073 8.845 342 HD1 HIS 29 1HD HIS 29 -19.057 6.684 8.836 343 HD2 HIS 29 2HD HIS 29 -15.592 8.930 8.382 344 HE1 HIS 29 1HE HIS 29 -19.727 9.066 9.184 345 QB HIS 29 QB HIS 29 -16.204 5.663 8.722 346 H LYS 30 H LYS 30 -16.361 3.299 6.814 347 HA LYS 30 HA LYS 30 -13.740 2.399 7.322 348 1HB LYS 30 2HB LYS 30 -15.937 0.872 5.881 349 2HB LYS 30 1HB LYS 30 -14.492 0.186 6.576 350 1HG LYS 30 2HG LYS 30 -15.226 0.783 8.808 351 2HG LYS 30 1HG LYS 30 -16.667 1.558 8.139 352 1HD LYS 30 2HD LYS 30 -17.359 -0.602 7.176 353 2HD LYS 30 1HD LYS 30 -15.937 -1.362 7.886 354 1HE LYS 30 2HE LYS 30 -18.143 -0.001 9.438 355 2HE LYS 30 1HE LYS 30 -18.000 -1.734 9.191 356 1HZ LYS 30 3HZ LYS 30 -15.847 -1.647 10.367 357 2HZ LYS 30 2HZ LYS 30 -16.061 -0.018 10.668 358 3HZ LYS 30 1HZ LYS 30 -17.128 -1.154 11.325 359 QB LYS 30 QB LYS 30 -15.215 0.529 6.228 360 QD LYS 30 QD LYS 30 -16.648 -0.982 7.531 361 QG LYS 30 QG LYS 30 -15.946 1.170 8.473 362 QE LYS 30 QE LYS 30 -18.071 -0.868 9.314 363 QZ LYS 30 QZ LYS 30 -16.346 -0.940 10.787 364 H VAL 31 H VAL 31 -15.567 2.587 4.306 365 HA VAL 31 HA VAL 31 -13.629 1.631 2.555 366 HB VAL 31 HB VAL 31 -15.883 3.597 2.031 367 1HG1 VAL 31 2HG1 VAL 31 -14.241 3.670 0.216 368 2HG1 VAL 31 1HG1 VAL 31 -14.333 1.915 0.062 369 3HG1 VAL 31 3HG1 VAL 31 -15.740 2.908 -0.319 370 1HG2 VAL 31 3HG2 VAL 31 -16.630 1.472 2.966 371 2HG2 VAL 31 2HG2 VAL 31 -17.119 1.619 1.278 372 3HG2 VAL 31 1HG2 VAL 31 -15.746 0.601 1.717 373 MG1 VAL 31 QG1 VAL 31 -14.771 2.831 -0.014 374 MG2 VAL 31 QG2 VAL 31 -16.498 1.230 1.987 375 QG VAL 31 QQG VAL 31 -15.635 2.031 0.987 376 H ILE 32 H ILE 32 -14.230 4.927 3.670 377 HA ILE 32 HA ILE 32 -12.326 6.236 2.058 378 HB ILE 32 HB ILE 32 -13.326 6.996 4.834 379 1HG1 ILE 32 2HG1 ILE 32 -14.179 7.976 2.094 380 2HG1 ILE 32 1HG1 ILE 32 -15.079 6.843 3.091 381 1HG2 ILE 32 1HG2 ILE 32 -11.210 8.136 4.367 382 2HG2 ILE 32 3HG2 ILE 32 -11.847 8.703 2.822 383 3HG2 ILE 32 2HG2 ILE 32 -12.552 9.277 4.335 384 1HD1 ILE 32 1HD1 ILE 32 -14.475 9.714 3.782 385 2HD1 ILE 32 3HD1 ILE 32 -16.020 9.081 3.211 386 3HD1 ILE 32 2HD1 ILE 32 -15.391 8.585 4.782 387 MG ILE 32 QG2 ILE 32 -11.870 8.706 3.841 388 MD ILE 32 QD1 ILE 32 -15.295 9.127 3.925 389 QG ILE 32 QG1 ILE 32 -14.629 7.409 2.592 390 H SER 33 H SER 33 -12.025 4.712 5.234 391 HA SER 33 HA SER 33 -9.351 5.426 5.708 392 1HB SER 33 2HB SER 33 -10.895 3.034 6.730 393 2HB SER 33 1HB SER 33 -9.411 3.690 7.439 394 HG SER 33 HG SER 33 -12.008 4.808 7.370 395 QB SER 33 QB SER 33 -10.153 3.362 7.084 396 H PHE 34 H PHE 34 -10.776 2.575 4.146 397 HA PHE 34 HA PHE 34 -8.315 1.268 3.653 398 1HB PHE 34 2HB PHE 34 -10.973 1.052 2.262 399 2HB PHE 34 1HB PHE 34 -9.589 0.037 1.845 400 HD1 PHE 34 1HD PHE 34 -8.665 -1.443 3.647 401 HD2 PHE 34 2HD PHE 34 -12.383 0.529 3.978 402 HE1 PHE 34 1HE PHE 34 -9.338 -3.028 5.383 403 HE2 PHE 34 2HE PHE 34 -13.081 -1.026 5.708 404 HZ PHE 34 HZ PHE 34 -11.547 -2.829 6.437 405 QB PHE 34 QB PHE 34 -10.281 0.545 2.054 406 QD PHE 34 QD PHE 34 -10.524 -0.457 3.813 407 QE PHE 34 QE PHE 34 -11.209 -2.027 5.545 408 QR PHE 34 QR PHE 34 -11.003 -1.559 5.031 409 H SER 35 H SER 35 -10.139 3.640 1.831 410 HA SER 35 HA SER 35 -8.589 3.566 -0.514 411 1HB SER 35 2HB SER 35 -10.119 5.896 0.682 412 2HB SER 35 1HB SER 35 -9.570 5.774 -0.990 413 HG SER 35 HG SER 35 -11.430 4.051 0.315 414 QB SER 35 QB SER 35 -9.844 5.835 -0.154 415 H GLN 36 H GLN 36 -8.261 5.380 2.494 416 HA GLN 36 HA GLN 36 -5.991 6.887 1.805 417 1HB GLN 36 2HB GLN 36 -6.975 5.886 4.475 418 2HB GLN 36 1HB GLN 36 -5.604 6.970 4.295 419 1HG GLN 36 2HG GLN 36 -7.009 8.681 3.363 420 2HG GLN 36 1HG GLN 36 -8.385 7.579 3.326 421 1HE2 GLN 36 1HE2 GLN 36 -9.460 7.148 5.176 422 2HE2 GLN 36 2HE2 GLN 36 -9.254 8.010 6.655 423 QB GLN 36 QB GLN 36 -6.290 6.428 4.385 424 QG GLN 36 QG GLN 36 -7.697 8.130 3.344 425 QE GLN 36 QE2 GLN 36 -9.357 7.579 5.915 426 H GLU 37 H GLU 37 -6.361 3.605 3.059 427 HA GLU 37 HA GLU 37 -3.624 3.118 3.507 428 1HB GLU 37 2HB GLU 37 -5.786 1.144 2.749 429 2HB GLU 37 1HB GLU 37 -4.172 0.699 3.275 430 1HG GLU 37 2HG GLU 37 -4.639 1.878 5.423 431 2HG GLU 37 1HG GLU 37 -6.302 2.080 4.878 432 QB GLU 37 QB GLU 37 -4.979 0.921 3.012 433 QG GLU 37 QG GLU 37 -5.471 1.979 5.151 434 H LEU 38 H LEU 38 -5.651 2.457 0.667 435 HA LEU 38 HA LEU 38 -3.623 1.373 -0.906 436 1HB LEU 38 2HB LEU 38 -6.235 2.641 -1.588 437 2HB LEU 38 1HB LEU 38 -5.095 2.338 -2.875 438 HG LEU 38 HG LEU 38 -6.694 0.555 -2.794 439 1HD1 LEU 38 2HD1 LEU 38 -4.427 -0.014 -3.406 440 2HD1 LEU 38 1HD1 LEU 38 -4.036 -0.377 -1.735 441 3HD1 LEU 38 3HD1 LEU 38 -5.223 -1.362 -2.590 442 1HD2 LEU 38 1HD2 LEU 38 -7.383 0.725 -0.446 443 2HD2 LEU 38 3HD2 LEU 38 -6.938 -0.928 -0.870 444 3HD2 LEU 38 2HD2 LEU 38 -5.821 0.077 0.057 445 MD1 LEU 38 QD1 LEU 38 -4.562 -0.585 -2.577 446 MD2 LEU 38 QD2 LEU 38 -6.714 -0.042 -0.420 447 QB LEU 38 QB LEU 38 -5.665 2.489 -2.231 448 QD LEU 38 QQD LEU 38 -5.638 -0.313 -1.498 449 H ASP 39 H ASP 39 -4.675 4.735 -0.737 450 HA ASP 39 HA ASP 39 -2.917 5.730 -2.678 451 1HB ASP 39 2HB ASP 39 -4.714 7.117 -1.872 452 2HB ASP 39 1HB ASP 39 -4.060 7.091 -0.238 453 QB ASP 39 QB ASP 39 -4.387 7.104 -1.055 454 H ARG 40 H ARG 40 -2.470 5.387 0.791 455 HA ARG 40 HA ARG 40 0.107 6.537 0.811 456 1HB ARG 40 2HB ARG 40 -1.272 4.775 2.827 457 2HB ARG 40 1HB ARG 40 0.331 5.461 3.082 458 1HG ARG 40 2HG ARG 40 -0.562 7.703 2.966 459 2HG ARG 40 1HG ARG 40 -2.152 7.067 2.542 460 1HD ARG 40 2HD ARG 40 -0.707 6.540 5.134 461 2HD ARG 40 1HD ARG 40 -1.996 7.724 4.903 462 HE ARG 40 HE ARG 40 -2.918 5.292 3.990 463 1HH1 ARG 40 1HH1 ARG 40 -2.067 6.794 7.113 464 2HH1 ARG 40 2HH1 ARG 40 -3.023 5.751 8.032 465 1HH2 ARG 40 1HH2 ARG 40 -4.284 3.840 5.338 466 2HH2 ARG 40 2HH2 ARG 40 -4.305 4.054 7.015 467 QB ARG 40 QB ARG 40 -0.470 5.118 2.954 468 QG ARG 40 QG ARG 40 -1.357 7.385 2.754 469 QD ARG 40 QD ARG 40 -1.352 7.132 5.018 470 QH1 ARG 40 QH1 ARG 40 -2.545 6.272 7.572 471 QH2 ARG 40 QH2 ARG 40 -4.295 3.947 6.176 472 H LEU 41 H LEU 41 -0.934 3.136 0.730 473 HA LEU 41 HA LEU 41 1.682 2.115 0.773 474 1HB LEU 41 2HB LEU 41 -0.956 0.949 0.034 475 2HB LEU 41 1HB LEU 41 0.493 0.106 -0.469 476 HG LEU 41 HG LEU 41 1.192 -0.110 1.880 477 1HD1 LEU 41 1HD1 LEU 41 0.163 1.866 2.831 478 2HD1 LEU 41 3HD1 LEU 41 -1.439 1.173 2.568 479 3HD1 LEU 41 2HD1 LEU 41 -0.322 0.413 3.705 480 1HD2 LEU 41 2HD2 LEU 41 -1.594 -1.103 1.328 481 2HD2 LEU 41 1HD2 LEU 41 -0.090 -1.889 0.857 482 3HD2 LEU 41 3HD2 LEU 41 -0.503 -1.736 2.565 483 MD1 LEU 41 QD1 LEU 41 -0.533 1.151 3.035 484 MD2 LEU 41 QD2 LEU 41 -0.729 -1.576 1.583 485 QB LEU 41 QB LEU 41 -0.231 0.527 -0.217 486 QD LEU 41 QQD LEU 41 -0.631 -0.213 2.309 487 H LEU 42 H LEU 42 -0.420 2.970 -1.926 488 HA LEU 42 HA LEU 42 1.232 2.147 -4.008 489 1HB LEU 42 2HB LEU 42 -1.049 2.944 -4.332 490 2HB LEU 42 1HB LEU 42 -0.578 4.550 -3.824 491 HG LEU 42 HG LEU 42 0.884 4.714 -5.815 492 1HD1 LEU 42 1HD1 LEU 42 1.297 2.350 -6.189 493 2HD1 LEU 42 3HD1 LEU 42 -0.402 2.108 -6.602 494 3HD1 LEU 42 2HD1 LEU 42 0.623 3.114 -7.626 495 1HD2 LEU 42 3HD2 LEU 42 -1.364 5.641 -5.823 496 2HD2 LEU 42 2HD2 LEU 42 -0.921 5.026 -7.413 497 3HD2 LEU 42 1HD2 LEU 42 -2.009 4.097 -6.376 498 MD1 LEU 42 QD1 LEU 42 0.506 2.524 -6.806 499 MD2 LEU 42 QD2 LEU 42 -1.431 4.921 -6.537 500 QB LEU 42 QB LEU 42 -0.814 3.747 -4.078 501 QD LEU 42 QQD LEU 42 -0.463 3.723 -6.671 502 H ASN 43 H ASN 43 1.154 5.181 -2.224 503 HA ASN 43 HA ASN 43 3.287 6.306 -3.707 504 1HB ASN 43 2HB ASN 43 1.826 7.246 -1.279 505 2HB ASN 43 1HB ASN 43 3.323 8.039 -1.764 506 1HD2 ASN 43 1HD2 ASN 43 0.018 7.402 -2.623 507 2HD2 ASN 43 2HD2 ASN 43 -0.091 8.578 -3.873 508 QB ASN 43 QB ASN 43 2.574 7.642 -1.522 509 QD ASN 43 QD2 ASN 43 -0.037 7.990 -3.248 510 H LEU 44 H LEU 44 3.270 4.134 -1.137 511 HA LEU 44 HA LEU 44 5.778 4.773 -0.034 512 1HB LEU 44 2HB LEU 44 4.232 2.214 -0.137 513 2HB LEU 44 1HB LEU 44 5.771 2.302 0.687 514 HG LEU 44 HG LEU 44 3.225 3.781 1.387 515 1HD1 LEU 44 2HD1 LEU 44 3.225 1.412 1.975 516 2HD1 LEU 44 1HD1 LEU 44 4.744 1.625 2.839 517 3HD1 LEU 44 3HD1 LEU 44 3.285 2.432 3.412 518 1HD2 LEU 44 3HD2 LEU 44 5.936 3.896 2.721 519 2HD2 LEU 44 2HD2 LEU 44 5.127 5.221 1.880 520 3HD2 LEU 44 1HD2 LEU 44 4.449 4.584 3.372 521 MD1 LEU 44 QD1 LEU 44 3.751 1.823 2.742 522 MD2 LEU 44 QD2 LEU 44 5.171 4.567 2.658 523 QB LEU 44 QB LEU 44 5.002 2.258 0.275 524 QD LEU 44 QQD LEU 44 4.461 3.195 2.700 525 H LEU 45 H LEU 45 4.902 2.943 -2.894 526 HA LEU 45 HA LEU 45 7.517 1.888 -3.311 527 1HB LEU 45 2HB LEU 45 5.269 2.375 -5.285 528 2HB LEU 45 1HB LEU 45 6.792 1.658 -5.743 529 HG LEU 45 HG LEU 45 6.295 -0.227 -4.138 530 1HD1 LEU 45 2HD1 LEU 45 4.671 0.874 -2.725 531 2HD1 LEU 45 1HD1 LEU 45 3.560 1.002 -4.090 532 3HD1 LEU 45 3HD1 LEU 45 4.002 -0.585 -3.464 533 1HD2 LEU 45 3HD2 LEU 45 4.364 0.228 -6.396 534 2HD2 LEU 45 2HD2 LEU 45 5.978 -0.474 -6.511 535 3HD2 LEU 45 1HD2 LEU 45 4.706 -1.327 -5.639 536 MD1 LEU 45 QD1 LEU 45 4.078 0.430 -3.427 537 MD2 LEU 45 QD2 LEU 45 5.016 -0.524 -6.182 538 QB LEU 45 QB LEU 45 6.030 2.016 -5.514 539 QD LEU 45 QQD LEU 45 4.547 -0.047 -4.804 540 H ILE 46 H ILE 46 5.905 4.793 -4.202 541 HA ILE 46 HA ILE 46 7.956 5.887 -5.848 542 HB ILE 46 HB ILE 46 5.530 7.075 -4.478 543 1HG1 ILE 46 2HG1 ILE 46 4.821 7.565 -6.865 544 2HG1 ILE 46 1HG1 ILE 46 6.212 6.634 -7.389 545 1HG2 ILE 46 1HG2 ILE 46 7.141 8.845 -4.402 546 2HG2 ILE 46 3HG2 ILE 46 7.469 8.661 -6.130 547 3HG2 ILE 46 2HG2 ILE 46 5.880 9.205 -5.577 548 1HD1 ILE 46 2HD1 ILE 46 5.275 4.662 -6.267 549 2HD1 ILE 46 1HD1 ILE 46 3.865 5.611 -5.811 550 3HD1 ILE 46 3HD1 ILE 46 4.209 5.304 -7.513 551 MG ILE 46 QG2 ILE 46 6.830 8.904 -5.370 552 MD ILE 46 QD1 ILE 46 4.450 5.192 -6.530 553 QG ILE 46 QG1 ILE 46 5.517 7.100 -7.127 554 H GLU 47 H GLU 47 7.101 6.043 -2.496 555 HA GLU 47 HA GLU 47 8.585 8.060 -1.382 556 1HB GLU 47 2HB GLU 47 6.921 6.712 -0.232 557 2HB GLU 47 1HB GLU 47 7.943 5.301 -0.357 558 1HG GLU 47 2HG GLU 47 7.966 6.120 1.881 559 2HG GLU 47 1HG GLU 47 9.551 6.384 1.159 560 QB GLU 47 QB GLU 47 7.432 6.006 -0.294 561 QG GLU 47 QG GLU 47 8.759 6.252 1.520 562 H LEU 48 H LEU 48 9.588 4.659 -1.719 563 HA LEU 48 HA LEU 48 12.126 5.183 -0.612 564 1HB LEU 48 2HB LEU 48 11.029 2.747 -1.958 565 2HB LEU 48 1HB LEU 48 12.723 2.844 -1.554 566 HG LEU 48 HG LEU 48 11.634 1.603 0.159 567 1HD1 LEU 48 3HD1 LEU 48 13.384 3.123 0.889 568 2HD1 LEU 48 2HD1 LEU 48 12.166 4.352 1.217 569 3HD1 LEU 48 1HD1 LEU 48 12.171 2.862 2.147 570 1HD2 LEU 48 2HD2 LEU 48 9.756 3.934 0.522 571 2HD2 LEU 48 1HD2 LEU 48 9.334 2.356 -0.145 572 3HD2 LEU 48 3HD2 LEU 48 9.822 2.499 1.545 573 MD1 LEU 48 QD1 LEU 48 12.574 3.445 1.418 574 MD2 LEU 48 QD2 LEU 48 9.637 2.930 0.641 575 QB LEU 48 QB LEU 48 11.876 2.795 -1.756 576 QD LEU 48 QQD LEU 48 11.106 3.188 1.029 577 H LYS 49 H LYS 49 11.142 4.927 -3.965 578 HA LYS 49 HA LYS 49 13.834 4.925 -4.900 579 1HB LYS 49 2HB LYS 49 11.986 4.018 -6.274 580 2HB LYS 49 1HB LYS 49 11.330 5.642 -6.429 581 1HG LYS 49 2HG LYS 49 13.412 6.366 -7.516 582 2HG LYS 49 1HG LYS 49 14.010 4.717 -7.428 583 1HD LYS 49 2HD LYS 49 12.223 3.955 -8.869 584 2HD LYS 49 1HD LYS 49 11.519 5.577 -8.894 585 1HE LYS 49 2HE LYS 49 14.257 4.833 -9.911 586 2HE LYS 49 1HE LYS 49 12.842 5.131 -10.921 587 1HZ LYS 49 1HZ LYS 49 12.789 7.400 -10.064 588 2HZ LYS 49 3HZ LYS 49 14.185 7.136 -9.155 589 3HZ LYS 49 2HZ LYS 49 14.239 7.072 -10.832 590 QB LYS 49 QB LYS 49 11.658 4.830 -6.351 591 QD LYS 49 QD LYS 49 11.871 4.766 -8.881 592 QG LYS 49 QG LYS 49 13.711 5.541 -7.472 593 QE LYS 49 QE LYS 49 13.550 4.982 -10.416 594 QZ LYS 49 QZ LYS 49 13.737 7.203 -10.017 595 H THR 50 H THR 50 11.474 7.426 -4.270 596 HA THR 50 HA THR 50 12.968 9.400 -5.682 597 HB THR 50 HB THR 50 10.641 9.813 -3.794 598 HG1 THR 50 1HG THR 50 9.841 8.534 -5.274 599 1HG2 THR 50 2HG2 THR 50 11.895 11.867 -4.429 600 2HG2 THR 50 1HG2 THR 50 11.676 11.460 -6.127 601 3HG2 THR 50 3HG2 THR 50 10.276 11.848 -5.127 602 MG THR 50 QG2 THR 50 11.282 11.725 -5.228 603 H LYS 51 H LYS 51 12.778 8.357 -2.308 604 HA LYS 51 HA LYS 51 14.009 10.711 -1.345 605 1HB LYS 51 2HB LYS 51 14.167 9.561 0.783 606 2HB LYS 51 1HB LYS 51 12.547 9.387 0.086 607 1HG LYS 51 2HG LYS 51 13.516 7.091 -0.681 608 2HG LYS 51 1HG LYS 51 14.677 7.377 0.615 609 1HD LYS 51 2HD LYS 51 11.667 7.253 0.838 610 2HD LYS 51 1HD LYS 51 12.855 6.163 1.552 611 1HE LYS 51 2HE LYS 51 13.582 7.830 3.086 612 2HE LYS 51 1HE LYS 51 12.662 9.084 2.256 613 1HZ LYS 51 3HZ LYS 51 11.471 6.767 3.683 614 2HZ LYS 51 2HZ LYS 51 11.557 8.349 4.261 615 3HZ LYS 51 1HZ LYS 51 10.643 8.018 2.892 616 QB LYS 51 QB LYS 51 13.357 9.474 0.434 617 QD LYS 51 QD LYS 51 12.261 6.708 1.195 618 QG LYS 51 QG LYS 51 14.097 7.234 -0.033 619 QE LYS 51 QE LYS 51 13.122 8.457 2.671 620 QZ LYS 51 QZ LYS 51 11.224 7.711 3.612 621 H LYS 52 H LYS 52 15.134 7.619 -2.353 622 HA LYS 52 HA LYS 52 17.163 6.636 -2.738 623 1HB LYS 52 2HB LYS 52 18.839 7.915 -3.964 624 2HB LYS 52 1HB LYS 52 17.230 8.318 -4.532 625 1HG LYS 52 2HG LYS 52 17.330 10.441 -3.376 626 2HG LYS 52 1HG LYS 52 18.874 10.004 -2.647 627 1HD LYS 52 2HD LYS 52 19.219 11.508 -4.534 628 2HD LYS 52 1HD LYS 52 19.894 9.918 -4.881 629 1HE LYS 52 2HE LYS 52 17.925 9.365 -6.223 630 2HE LYS 52 1HE LYS 52 17.218 10.934 -5.836 631 1HZ LYS 52 1HZ LYS 52 19.052 11.992 -6.990 632 2HZ LYS 52 3HZ LYS 52 19.726 10.489 -7.368 633 3HZ LYS 52 2HZ LYS 52 18.233 10.946 -8.002 634 QB LYS 52 QB LYS 52 18.035 8.117 -4.248 635 QD LYS 52 QD LYS 52 19.557 10.713 -4.708 636 QG LYS 52 QG LYS 52 18.102 10.222 -3.011 637 QE LYS 52 QE LYS 52 17.571 10.149 -6.029 638 QZ LYS 52 QZ LYS 52 19.004 11.142 -7.454 639 H LYS 53 H LYS 53 16.832 8.131 -0.050 640 HA LYS 53 HA LYS 53 19.605 8.273 0.731 641 1HB LYS 53 2HB LYS 53 18.751 9.150 2.886 642 2HB LYS 53 1HB LYS 53 18.192 10.051 1.500 643 1HG LYS 53 2HG LYS 53 16.291 9.946 2.786 644 2HG LYS 53 1HG LYS 53 16.050 8.597 1.688 645 1HD LYS 53 2HD LYS 53 15.447 7.905 3.939 646 2HD LYS 53 1HD LYS 53 16.926 7.068 3.468 647 1HE LYS 53 2HE LYS 53 18.259 8.648 4.755 648 2HE LYS 53 1HE LYS 53 16.817 9.572 5.165 649 1HZ LYS 53 1HZ LYS 53 16.012 7.581 6.361 650 2HZ LYS 53 3HZ LYS 53 17.489 6.806 6.027 651 3HZ LYS 53 2HZ LYS 53 17.440 8.201 6.965 652 QB LYS 53 QB LYS 53 18.471 9.600 2.193 653 QD LYS 53 QD LYS 53 16.186 7.486 3.703 654 QG LYS 53 QG LYS 53 16.171 9.272 2.237 655 QE LYS 53 QE LYS 53 17.538 9.110 4.960 656 QZ LYS 53 QZ LYS 53 16.980 7.529 6.451 657 H ARG 54 H ARG 54 17.641 5.851 0.309 658 HA ARG 54 HA ARG 54 18.510 4.362 2.646 659 1HB ARG 54 2HB ARG 54 16.648 3.610 0.402 660 2HB ARG 54 1HB ARG 54 17.292 2.401 1.502 661 1HG ARG 54 2HG ARG 54 15.629 4.794 2.297 662 2HG ARG 54 1HG ARG 54 15.065 3.122 2.192 663 1HD ARG 54 2HD ARG 54 16.707 2.481 3.929 664 2HD ARG 54 1HD ARG 54 17.209 4.160 4.057 665 HE ARG 54 HE ARG 54 14.413 3.759 4.471 666 1HH1 ARG 54 1HH1 ARG 54 17.590 3.985 6.065 667 2HH1 ARG 54 2HH1 ARG 54 16.965 4.081 7.631 668 1HH2 ARG 54 1HH2 ARG 54 13.542 3.938 6.653 669 2HH2 ARG 54 2HH2 ARG 54 14.608 4.083 7.965 670 QB ARG 54 QB ARG 54 16.970 3.006 0.952 671 QG ARG 54 QG ARG 54 15.347 3.958 2.244 672 QD ARG 54 QD ARG 54 16.958 3.320 3.993 673 QH1 ARG 54 QH1 ARG 54 17.277 4.033 6.848 674 QH2 ARG 54 QH2 ARG 54 14.075 4.010 7.309 675 H TYR 55 H TYR 55 19.855 2.832 2.743 676 HA TYR 55 HA TYR 55 22.294 3.136 1.755 677 1HB TYR 55 2HB TYR 55 21.179 0.434 2.466 678 2HB TYR 55 1HB TYR 55 22.844 0.982 2.627 679 HD1 TYR 55 1HD TYR 55 23.463 2.563 4.434 680 HD2 TYR 55 2HD TYR 55 19.507 1.043 4.072 681 HE1 TYR 55 1HE TYR 55 22.951 3.331 6.726 682 HE2 TYR 55 2HE TYR 55 18.989 1.798 6.338 683 HH TYR 55 HH TYR 55 20.971 3.928 8.041 684 QB TYR 55 QB TYR 55 22.011 0.708 2.546 685 QD TYR 55 QD TYR 55 21.485 1.803 4.253 686 QE TYR 55 QE TYR 55 20.970 2.565 6.532 687 QR TYR 55 QR TYR 55 21.227 2.184 5.393 688 H SER 56 H SER 56 19.886 0.984 0.320 689 HA SER 56 HA SER 56 21.374 -0.482 -1.426 690 1HB SER 56 2HB SER 56 18.619 0.618 -1.943 691 2HB SER 56 1HB SER 56 19.309 -0.873 -2.588 692 HG SER 56 HG SER 56 18.458 -1.740 -0.922 693 QB SER 56 QB SER 56 18.964 -0.127 -2.266 694 H LEU 57 H LEU 57 20.294 2.858 -1.866 695 HA LEU 57 HA LEU 57 21.070 2.801 -4.647 696 1HB LEU 57 2HB LEU 57 20.038 5.126 -3.013 697 2HB LEU 57 1HB LEU 57 20.368 5.184 -4.729 698 HG LEU 57 HG LEU 57 18.627 3.223 -4.817 699 1HD1 LEU 57 3HD1 LEU 57 17.797 4.535 -2.264 700 2HD1 LEU 57 2HD1 LEU 57 16.819 3.422 -3.223 701 3HD1 LEU 57 1HD1 LEU 57 18.336 2.873 -2.505 702 1HD2 LEU 57 3HD2 LEU 57 17.877 6.114 -4.494 703 2HD2 LEU 57 2HD2 LEU 57 18.316 5.275 -5.973 704 3HD2 LEU 57 1HD2 LEU 57 16.816 4.864 -5.148 705 MD1 LEU 57 QD1 LEU 57 17.651 3.610 -2.664 706 MD2 LEU 57 QD2 LEU 57 17.670 5.418 -5.205 707 QB LEU 57 QB LEU 57 20.203 5.155 -3.871 708 QD LEU 57 QQD LEU 57 17.660 4.514 -3.935 709 H LEU 58 H LEU 58 22.489 3.597 -1.659 710 HA LEU 58 HA LEU 58 24.526 5.306 -2.843 711 1HB LEU 58 2HB LEU 58 24.215 4.305 -0.007 712 2HB LEU 58 1HB LEU 58 25.524 5.327 -0.544 713 HG LEU 58 HG LEU 58 24.024 6.703 0.619 714 1HD1 LEU 58 2HD1 LEU 58 24.892 7.727 -1.365 715 2HD1 LEU 58 1HD1 LEU 58 23.526 7.128 -2.309 716 3HD1 LEU 58 3HD1 LEU 58 23.263 8.318 -1.034 717 1HD2 LEU 58 2HD2 LEU 58 22.077 5.232 0.608 718 2HD2 LEU 58 1HD2 LEU 58 21.632 6.878 0.136 719 3HD2 LEU 58 3HD2 LEU 58 21.792 5.616 -1.083 720 MD1 LEU 58 QD1 LEU 58 23.894 7.724 -1.570 721 MD2 LEU 58 QD2 LEU 58 21.834 5.908 -0.113 722 QB LEU 58 QB LEU 58 24.870 4.816 -0.275 723 QD LEU 58 QQD LEU 58 22.864 6.816 -0.841 724 H GLU 59 H GLU 59 23.947 2.059 -2.210 725 HA GLU 59 HA GLU 59 26.616 1.177 -1.901 726 1HB GLU 59 2HB GLU 59 24.116 -0.303 -2.680 727 2HB GLU 59 1HB GLU 59 25.658 -1.093 -2.386 728 1HG GLU 59 2HG GLU 59 25.656 -0.205 -0.099 729 2HG GLU 59 1HG GLU 59 24.090 0.541 -0.408 730 QB GLU 59 QB GLU 59 24.887 -0.698 -2.533 731 QG GLU 59 QG GLU 59 24.873 0.168 -0.253 732 H HIS 60 H HIS 60 25.007 2.324 -4.563 733 HA HIS 60 HA HIS 60 26.778 0.954 -6.429 734 1HB HIS 60 2HB HIS 60 24.628 3.041 -6.958 735 2HB HIS 60 1HB HIS 60 25.577 2.232 -8.202 736 HD1 HIS 60 1HD HIS 60 22.314 2.106 -7.050 737 HD2 HIS 60 2HD HIS 60 25.219 -0.814 -7.600 738 HE1 HIS 60 1HE HIS 60 21.084 -0.089 -7.196 739 QB HIS 60 QB HIS 60 25.103 2.636 -7.580 740 H HIS 61 H HIS 61 28.739 1.701 -6.017 741 HA HIS 61 HA HIS 61 29.168 4.450 -5.385 742 1HB HIS 61 2HB HIS 61 31.024 2.084 -5.536 743 2HB HIS 61 1HB HIS 61 31.616 3.721 -5.284 744 HD1 HIS 61 1HD HIS 61 31.887 4.315 -2.860 745 HD2 HIS 61 2HD HIS 61 29.000 1.381 -3.446 746 HE1 HIS 61 1HE HIS 61 31.072 3.673 -0.575 747 QB HIS 61 QB HIS 61 31.320 2.903 -5.410 748 H HIS 62 H HIS 62 31.064 5.517 -6.362 749 HA HIS 62 HA HIS 62 32.112 6.528 -8.021 750 1HB HIS 62 2HB HIS 62 31.377 4.125 -9.701 751 2HB HIS 62 1HB HIS 62 32.364 5.452 -10.287 752 HD1 HIS 62 1HD HIS 62 34.800 5.690 -9.060 753 HD2 HIS 62 2HD HIS 62 32.655 2.211 -8.275 754 HE1 HIS 62 1HE HIS 62 36.453 4.049 -8.156 755 QB HIS 62 QB HIS 62 31.871 4.788 -9.994 756 H HIS 63 H HIS 63 31.797 7.563 -10.137 757 HA HIS 63 HA HIS 63 29.039 8.534 -10.229 758 1HB HIS 63 2HB HIS 63 31.587 9.817 -11.282 759 2HB HIS 63 1HB HIS 63 29.996 10.567 -11.237 760 HD1 HIS 63 1HD HIS 63 33.041 10.056 -9.188 761 HD2 HIS 63 2HD HIS 63 29.073 11.145 -8.565 762 HE1 HIS 63 1HE HIS 63 32.940 11.037 -6.890 763 QB HIS 63 QB HIS 63 30.791 10.192 -11.259 764 H HIS 64 H HIS 64 30.369 6.231 -11.429 765 HA HIS 64 HA HIS 64 29.800 6.716 -14.260 766 1HB HIS 64 2HB HIS 64 32.138 5.975 -13.760 767 2HB HIS 64 1HB HIS 64 31.496 4.529 -13.000 768 HD1 HIS 64 1HD HIS 64 32.024 6.096 -16.398 769 HD2 HIS 64 2HD HIS 64 30.775 2.511 -14.719 770 HE1 HIS 64 1HE HIS 64 31.955 4.437 -18.280 771 QB HIS 64 QB HIS 64 31.817 5.252 -13.380 No H/Q in entry = 771 Start of MODEL 16 1 H1 MET 1 1HT MET 1 13.655 -7.278 2.124 2 H2 MET 1 3HT MET 1 14.556 -8.527 1.438 3 H3 MET 1 2HT MET 1 15.277 -7.464 2.509 4 HA MET 1 HA MET 1 15.019 -5.646 1.050 5 1HB MET 1 2HB MET 1 17.087 -6.862 0.838 6 2HB MET 1 1HB MET 1 16.329 -8.080 -0.174 7 1HG MET 1 2HG MET 1 16.023 -6.438 -1.945 8 2HG MET 1 1HG MET 1 16.734 -5.194 -0.924 9 1HE MET 1 3HE MET 1 18.230 -4.705 -3.063 10 2HE MET 1 2HE MET 1 19.376 -5.850 -3.766 11 3HE MET 1 1HE MET 1 17.638 -6.102 -3.945 12 QB MET 1 QB MET 1 16.708 -7.471 0.332 13 QG MET 1 QG MET 1 16.379 -5.816 -1.434 14 ME MET 1 QE MET 1 18.415 -5.552 -3.591 15 H ASN 2 H ASN 2 13.570 -8.617 -0.263 16 HA ASN 2 HA ASN 2 12.894 -7.733 -2.790 17 1HB ASN 2 2HB ASN 2 11.489 -9.738 -1.034 18 2HB ASN 2 1HB ASN 2 11.068 -9.463 -2.717 19 1HD2 ASN 2 1HD2 ASN 2 12.014 -11.855 -1.444 20 2HD2 ASN 2 2HD2 ASN 2 13.459 -12.314 -2.246 21 QB ASN 2 QB ASN 2 11.279 -9.601 -1.875 22 QD ASN 2 QD2 ASN 2 12.736 -12.084 -1.845 23 H VAL 3 H VAL 3 11.901 -5.944 -3.260 24 HA VAL 3 HA VAL 3 9.884 -4.707 -1.663 25 HB VAL 3 HB VAL 3 9.632 -3.119 -3.526 26 1HG1 VAL 3 1HG1 VAL 3 12.488 -3.741 -2.770 27 2HG1 VAL 3 3HG1 VAL 3 11.940 -2.213 -3.462 28 3HG1 VAL 3 2HG1 VAL 3 11.363 -2.717 -1.873 29 1HG2 VAL 3 3HG2 VAL 3 9.961 -4.642 -5.397 30 2HG2 VAL 3 2HG2 VAL 3 11.097 -3.291 -5.511 31 3HG2 VAL 3 1HG2 VAL 3 11.645 -4.870 -4.944 32 MG1 VAL 3 QG1 VAL 3 11.930 -2.890 -2.702 33 MG2 VAL 3 QG2 VAL 3 10.901 -4.267 -5.284 34 QG VAL 3 QQG VAL 3 11.416 -3.579 -3.993 35 H THR 4 H THR 4 9.747 -7.126 -3.960 36 HA THR 4 HA THR 4 7.332 -6.593 -5.258 37 HB THR 4 HB THR 4 9.000 -8.238 -6.055 38 HG1 THR 4 1HG THR 4 7.453 -8.984 -7.188 39 1HG2 THR 4 2HG2 THR 4 9.512 -9.319 -3.962 40 2HG2 THR 4 1HG2 THR 4 7.893 -10.020 -3.889 41 3HG2 THR 4 3HG2 THR 4 9.021 -10.525 -5.159 42 MG THR 4 QG2 THR 4 8.809 -9.955 -4.337 43 H LYS 5 H LYS 5 7.877 -7.903 -2.091 44 HA LYS 5 HA LYS 5 5.326 -9.033 -1.651 45 1HB LYS 5 2HB LYS 5 5.804 -8.803 0.773 46 2HB LYS 5 1HB LYS 5 7.105 -9.570 -0.101 47 1HG LYS 5 2HG LYS 5 8.343 -7.436 -0.081 48 2HG LYS 5 1HG LYS 5 7.033 -6.719 0.859 49 1HD LYS 5 2HD LYS 5 7.408 -8.316 2.652 50 2HD LYS 5 1HD LYS 5 8.658 -9.114 1.700 51 1HE LYS 5 2HE LYS 5 9.667 -7.653 3.363 52 2HE LYS 5 1HE LYS 5 9.994 -7.056 1.737 53 1HZ LYS 5 1HZ LYS 5 7.898 -5.984 3.569 54 2HZ LYS 5 3HZ LYS 5 9.383 -5.282 3.249 55 3HZ LYS 5 2HZ LYS 5 8.238 -5.394 2.042 56 QB LYS 5 QB LYS 5 6.455 -9.186 0.336 57 QD LYS 5 QD LYS 5 8.033 -8.715 2.176 58 QG LYS 5 QG LYS 5 7.688 -7.077 0.389 59 QE LYS 5 QE LYS 5 9.831 -7.354 2.550 60 QZ LYS 5 QZ LYS 5 8.506 -5.553 2.953 61 H LEU 6 H LEU 6 6.512 -5.735 -1.347 62 HA LEU 6 HA LEU 6 4.224 -4.747 0.004 63 1HB LEU 6 2HB LEU 6 6.435 -3.632 0.028 64 2HB LEU 6 1HB LEU 6 6.264 -3.310 -1.686 65 HG LEU 6 HG LEU 6 4.372 -1.804 -1.219 66 1HD1 LEU 6 3HD1 LEU 6 4.988 -2.371 1.677 67 2HD1 LEU 6 2HD1 LEU 6 3.867 -1.147 1.081 68 3HD1 LEU 6 1HD1 LEU 6 3.529 -2.857 0.814 69 1HD2 LEU 6 1HD2 LEU 6 6.643 -0.915 -1.336 70 2HD2 LEU 6 3HD2 LEU 6 5.660 -0.021 -0.179 71 3HD2 LEU 6 2HD2 LEU 6 6.848 -1.194 0.393 72 MD1 LEU 6 QD1 LEU 6 4.128 -2.125 1.191 73 MD2 LEU 6 QD2 LEU 6 6.383 -0.710 -0.374 74 QB LEU 6 QB LEU 6 6.350 -3.471 -0.829 75 QD LEU 6 QQD LEU 6 5.256 -1.417 0.408 76 H ASN 7 H ASN 7 5.301 -4.894 -3.314 77 HA ASN 7 HA ASN 7 3.285 -3.487 -4.611 78 1HB ASN 7 2HB ASN 7 5.359 -4.290 -5.703 79 2HB ASN 7 1HB ASN 7 4.751 -5.937 -5.621 80 1HD2 ASN 7 1HD2 ASN 7 4.587 -2.904 -7.264 81 2HD2 ASN 7 2HD2 ASN 7 3.577 -3.423 -8.556 82 QB ASN 7 QB ASN 7 5.055 -5.114 -5.662 83 QD ASN 7 QD2 ASN 7 4.082 -3.164 -7.910 84 H ASP 8 H ASP 8 3.443 -6.846 -3.614 85 HA ASP 8 HA ASP 8 0.981 -7.683 -4.794 86 1HB ASP 8 2HB ASP 8 2.674 -9.339 -4.338 87 2HB ASP 8 1HB ASP 8 2.675 -8.930 -2.630 88 QB ASP 8 QB ASP 8 2.675 -9.134 -3.484 89 H ARG 9 H ARG 9 1.881 -6.659 -1.562 90 HA ARG 9 HA ARG 9 -0.639 -7.174 -0.413 91 1HB ARG 9 2HB ARG 9 1.575 -5.333 0.488 92 2HB ARG 9 1HB ARG 9 0.148 -5.693 1.456 93 1HG ARG 9 2HG ARG 9 0.720 -8.055 1.459 94 2HG ARG 9 1HG ARG 9 2.117 -7.724 0.445 95 1HD ARG 9 2HD ARG 9 3.103 -6.398 2.225 96 2HD ARG 9 1HD ARG 9 1.680 -6.675 3.236 97 HE ARG 9 HE ARG 9 2.605 -9.146 2.421 98 1HH1 ARG 9 1HH1 ARG 9 3.886 -6.505 4.410 99 2HH1 ARG 9 2HH1 ARG 9 4.738 -7.528 5.454 100 1HH2 ARG 9 1HH2 ARG 9 3.754 -10.524 3.837 101 2HH2 ARG 9 2HH2 ARG 9 4.662 -9.895 5.136 102 QB ARG 9 QB ARG 9 0.861 -5.513 0.972 103 QG ARG 9 QG ARG 9 1.419 -7.890 0.952 104 QD ARG 9 QD ARG 9 2.391 -6.536 2.730 105 QH1 ARG 9 QH1 ARG 9 4.312 -7.016 4.932 106 QH2 ARG 9 QH2 ARG 9 4.208 -10.210 4.486 107 H ILE 10 H ILE 10 0.619 -4.454 -2.141 108 HA ILE 10 HA ILE 10 -1.451 -2.605 -1.656 109 HB ILE 10 HB ILE 10 0.217 -3.009 -4.158 110 1HG1 ILE 10 2HG1 ILE 10 0.518 -0.984 -1.951 111 2HG1 ILE 10 1HG1 ILE 10 1.453 -2.475 -2.045 112 1HG2 ILE 10 3HG2 ILE 10 -1.820 -1.758 -4.691 113 2HG2 ILE 10 2HG2 ILE 10 -1.494 -0.640 -3.373 114 3HG2 ILE 10 1HG2 ILE 10 -0.412 -0.699 -4.764 115 1HD1 ILE 10 3HD1 ILE 10 1.435 -0.279 -4.086 116 2HD1 ILE 10 2HD1 ILE 10 2.683 -0.531 -2.859 117 3HD1 ILE 10 1HD1 ILE 10 2.424 -1.730 -4.128 118 MG ILE 10 QG2 ILE 10 -1.242 -1.032 -4.276 119 MD ILE 10 QD1 ILE 10 2.181 -0.846 -3.691 120 QG ILE 10 QG1 ILE 10 0.986 -1.730 -1.998 121 H GLU 11 H GLU 11 -0.995 -4.981 -4.260 122 HA GLU 11 HA GLU 11 -3.414 -4.491 -5.546 123 1HB GLU 11 2HB GLU 11 -1.744 -6.984 -5.539 124 2HB GLU 11 1HB GLU 11 -3.118 -6.727 -6.601 125 1HG GLU 11 2HG GLU 11 -0.522 -5.216 -6.534 126 2HG GLU 11 1HG GLU 11 -1.154 -6.224 -7.835 127 QB GLU 11 QB GLU 11 -2.431 -6.855 -6.070 128 QG GLU 11 QG GLU 11 -0.838 -5.720 -7.184 129 H ALA 12 H ALA 12 -2.623 -6.812 -3.052 130 HA ALA 12 HA ALA 12 -5.132 -8.060 -2.942 131 1HB ALA 12 2HB ALA 12 -3.116 -8.928 -1.843 132 2HB ALA 12 3HB ALA 12 -4.477 -8.816 -0.725 133 3HB ALA 12 1HB ALA 12 -3.191 -7.610 -0.678 134 MB ALA 12 QB ALA 12 -3.595 -8.451 -1.082 135 H LYS 13 H LYS 13 -3.949 -5.086 -1.494 136 HA LYS 13 HA LYS 13 -6.128 -4.691 0.304 137 1HB LYS 13 2HB LYS 13 -3.933 -3.596 0.628 138 2HB LYS 13 1HB LYS 13 -4.167 -2.681 -0.838 139 1HG LYS 13 2HG LYS 13 -4.756 -1.098 0.706 140 2HG LYS 13 1HG LYS 13 -6.330 -1.836 0.449 141 1HD LYS 13 2HD LYS 13 -4.423 -2.457 2.723 142 2HD LYS 13 1HD LYS 13 -5.858 -1.451 2.840 143 1HE LYS 13 2HE LYS 13 -7.243 -3.432 2.293 144 2HE LYS 13 1HE LYS 13 -5.773 -4.404 2.225 145 1HZ LYS 13 2HZ LYS 13 -5.375 -3.878 4.566 146 2HZ LYS 13 1HZ LYS 13 -6.802 -2.992 4.630 147 3HZ LYS 13 3HZ LYS 13 -6.843 -4.639 4.349 148 QB LYS 13 QB LYS 13 -4.050 -3.138 -0.105 149 QD LYS 13 QD LYS 13 -5.140 -1.954 2.781 150 QG LYS 13 QG LYS 13 -5.543 -1.467 0.578 151 QE LYS 13 QE LYS 13 -6.508 -3.918 2.259 152 QZ LYS 13 QZ LYS 13 -6.340 -3.836 4.515 153 H LYS 14 H LYS 14 -5.354 -3.471 -2.909 154 HA LYS 14 HA LYS 14 -7.733 -1.946 -3.067 155 1HB LYS 14 2HB LYS 14 -7.177 -1.780 -5.569 156 2HB LYS 14 1HB LYS 14 -6.048 -1.077 -4.430 157 1HG LYS 14 2HG LYS 14 -4.818 -3.325 -4.604 158 2HG LYS 14 1HG LYS 14 -5.783 -3.566 -6.060 159 1HD LYS 14 2HD LYS 14 -4.103 -1.103 -5.600 160 2HD LYS 14 1HD LYS 14 -3.467 -2.551 -6.359 161 1HE LYS 14 2HE LYS 14 -5.813 -0.945 -7.353 162 2HE LYS 14 1HE LYS 14 -4.157 -0.848 -7.961 163 1HZ LYS 14 3HZ LYS 14 -4.343 -3.278 -8.498 164 2HZ LYS 14 2HZ LYS 14 -5.982 -3.170 -8.098 165 3HZ LYS 14 1HZ LYS 14 -5.418 -2.304 -9.384 166 QB LYS 14 QB LYS 14 -6.613 -1.429 -5.000 167 QD LYS 14 QD LYS 14 -3.785 -1.827 -5.980 168 QG LYS 14 QG LYS 14 -5.300 -3.446 -5.332 169 QE LYS 14 QE LYS 14 -4.985 -0.896 -7.657 170 QZ LYS 14 QZ LYS 14 -5.248 -2.917 -8.660 171 H LYS 15 H LYS 15 -7.003 -5.237 -4.032 172 HA LYS 15 HA LYS 15 -9.438 -5.637 -5.416 173 1HB LYS 15 2HB LYS 15 -7.700 -7.626 -3.944 174 2HB LYS 15 1HB LYS 15 -9.095 -8.077 -4.911 175 1HG LYS 15 2HG LYS 15 -8.017 -7.055 -6.885 176 2HG LYS 15 1HG LYS 15 -6.604 -6.706 -5.895 177 1HD LYS 15 2HD LYS 15 -6.246 -8.735 -7.199 178 2HD LYS 15 1HD LYS 15 -6.321 -9.116 -5.481 179 1HE LYS 15 2HE LYS 15 -8.560 -9.950 -5.682 180 2HE LYS 15 1HE LYS 15 -8.691 -9.346 -7.329 181 1HZ LYS 15 1HZ LYS 15 -6.803 -11.474 -6.469 182 2HZ LYS 15 3HZ LYS 15 -8.306 -11.740 -7.174 183 3HZ LYS 15 2HZ LYS 15 -7.118 -10.952 -8.055 184 QB LYS 15 QB LYS 15 -8.397 -7.852 -4.428 185 QD LYS 15 QD LYS 15 -6.284 -8.926 -6.340 186 QG LYS 15 QG LYS 15 -7.310 -6.881 -6.390 187 QE LYS 15 QE LYS 15 -8.625 -9.648 -6.506 188 QZ LYS 15 QZ LYS 15 -7.409 -11.389 -7.233 189 H GLU 16 H GLU 16 -8.550 -5.991 -2.044 190 HA GLU 16 HA GLU 16 -10.987 -6.896 -1.001 191 1HB GLU 16 2HB GLU 16 -8.832 -6.799 0.237 192 2HB GLU 16 1HB GLU 16 -8.910 -5.049 0.207 193 1HG GLU 16 2HG GLU 16 -9.519 -5.863 2.387 194 2HG GLU 16 1HG GLU 16 -10.924 -5.136 1.611 195 QB GLU 16 QB GLU 16 -8.871 -5.924 0.222 196 QG GLU 16 QG GLU 16 -10.222 -5.500 1.999 197 H LEU 17 H LEU 17 -9.687 -3.655 -1.529 198 HA LEU 17 HA LEU 17 -11.831 -2.174 -0.540 199 1HB LEU 17 2HB LEU 17 -9.591 -1.247 -0.967 200 2HB LEU 17 1HB LEU 17 -9.863 -1.398 -2.687 201 HG LEU 17 HG LEU 17 -11.650 0.284 -2.563 202 1HD1 LEU 17 2HD1 LEU 17 -10.879 0.473 0.343 203 2HD1 LEU 17 1HD1 LEU 17 -11.956 1.582 -0.507 204 3HD1 LEU 17 3HD1 LEU 17 -12.421 -0.104 -0.292 205 1HD2 LEU 17 2HD2 LEU 17 -9.057 1.154 -1.304 206 2HD2 LEU 17 1HD2 LEU 17 -9.364 1.000 -3.036 207 3HD2 LEU 17 3HD2 LEU 17 -10.225 2.214 -2.089 208 MD1 LEU 17 QD1 LEU 17 -11.752 0.650 -0.152 209 MD2 LEU 17 QD2 LEU 17 -9.549 1.456 -2.143 210 QB LEU 17 QB LEU 17 -9.727 -1.322 -1.827 211 QD LEU 17 QQD LEU 17 -10.650 1.053 -1.147 212 H ILE 18 H ILE 18 -11.222 -3.321 -3.854 213 HA ILE 18 HA ILE 18 -13.353 -2.130 -5.186 214 HB ILE 18 HB ILE 18 -12.130 -4.880 -5.601 215 1HG1 ILE 18 2HG1 ILE 18 -11.751 -2.291 -7.127 216 2HG1 ILE 18 1HG1 ILE 18 -10.627 -2.955 -5.947 217 1HG2 ILE 18 3HG2 ILE 18 -14.379 -4.910 -6.556 218 2HG2 ILE 18 2HG2 ILE 18 -14.015 -3.449 -7.476 219 3HG2 ILE 18 1HG2 ILE 18 -13.154 -4.941 -7.827 220 1HD1 ILE 18 1HD1 ILE 18 -11.391 -4.235 -8.564 221 2HD1 ILE 18 3HD1 ILE 18 -9.893 -3.367 -8.234 222 3HD1 ILE 18 2HD1 ILE 18 -10.238 -4.881 -7.397 223 MG ILE 18 QG2 ILE 18 -13.849 -4.434 -7.286 224 MD ILE 18 QD1 ILE 18 -10.507 -4.161 -8.065 225 QG ILE 18 QG1 ILE 18 -11.189 -2.623 -6.537 226 H TYR 19 H TYR 19 -13.276 -5.118 -3.383 227 HA TYR 19 HA TYR 19 -15.972 -5.885 -3.781 228 1HB TYR 19 2HB TYR 19 -14.194 -7.462 -3.204 229 2HB TYR 19 1HB TYR 19 -13.945 -6.653 -1.670 230 HD1 TYR 19 1HD TYR 19 -16.168 -8.853 -3.601 231 HD2 TYR 19 2HD TYR 19 -15.405 -7.092 0.187 232 HE1 TYR 19 1HE TYR 19 -17.738 -10.431 -2.553 233 HE2 TYR 19 2HE TYR 19 -16.964 -8.646 1.240 234 HH TYR 19 HH TYR 19 -18.074 -11.402 -0.314 235 QB TYR 19 QB TYR 19 -14.069 -7.058 -2.437 236 QD TYR 19 QD TYR 19 -15.787 -7.972 -1.707 237 QE TYR 19 QE TYR 19 -17.351 -9.538 -0.656 238 QR TYR 19 QR TYR 19 -16.569 -8.755 -1.182 239 H LEU 20 H LEU 20 -14.285 -4.099 -1.273 240 HA LEU 20 HA LEU 20 -16.457 -3.849 0.498 241 1HB LEU 20 2HB LEU 20 -13.993 -2.149 0.188 242 2HB LEU 20 1HB LEU 20 -15.132 -1.988 1.510 243 HG LEU 20 HG LEU 20 -13.540 -4.482 0.912 244 1HD1 LEU 20 1HD1 LEU 20 -13.142 -2.389 3.024 245 2HD1 LEU 20 3HD1 LEU 20 -12.280 -3.921 2.915 246 3HD1 LEU 20 2HD1 LEU 20 -12.083 -2.711 1.649 247 1HD2 LEU 20 1HD2 LEU 20 -15.350 -3.756 3.207 248 2HD2 LEU 20 3HD2 LEU 20 -15.629 -5.012 1.997 249 3HD2 LEU 20 2HD2 LEU 20 -14.308 -5.172 3.150 250 MD1 LEU 20 QD1 LEU 20 -12.502 -3.007 2.529 251 MD2 LEU 20 QD2 LEU 20 -15.096 -4.647 2.785 252 QB LEU 20 QB LEU 20 -14.562 -2.069 0.849 253 QD LEU 20 QQD LEU 20 -13.799 -3.827 2.657 254 H VAL 21 H VAL 21 -15.445 -1.860 -2.211 255 HA VAL 21 HA VAL 21 -17.339 0.207 -1.751 256 HB VAL 21 HB VAL 21 -16.186 -0.644 -4.443 257 1HG1 VAL 21 3HG1 VAL 21 -17.465 1.969 -3.604 258 2HG1 VAL 21 2HG1 VAL 21 -16.714 1.661 -5.170 259 3HG1 VAL 21 1HG1 VAL 21 -18.161 0.773 -4.692 260 1HG2 VAL 21 3HG2 VAL 21 -15.209 1.458 -2.510 261 2HG2 VAL 21 2HG2 VAL 21 -14.407 -0.069 -2.882 262 3HG2 VAL 21 1HG2 VAL 21 -14.560 1.172 -4.124 263 MG1 VAL 21 QG1 VAL 21 -17.447 1.467 -4.489 264 MG2 VAL 21 QG2 VAL 21 -14.725 0.854 -3.172 265 QG VAL 21 QQG VAL 21 -16.086 1.160 -3.830 266 H GLU 22 H GLU 22 -17.534 -2.885 -3.340 267 HA GLU 22 HA GLU 22 -20.145 -2.508 -4.370 268 1HB GLU 22 2HB GLU 22 -18.673 -5.042 -3.674 269 2HB GLU 22 1HB GLU 22 -20.189 -4.974 -4.570 270 1HG GLU 22 2HG GLU 22 -17.657 -3.623 -5.461 271 2HG GLU 22 1HG GLU 22 -18.160 -5.230 -5.974 272 QB GLU 22 QB GLU 22 -19.431 -5.008 -4.122 273 QG GLU 22 QG GLU 22 -17.908 -4.426 -5.717 274 H LYS 23 H LYS 23 -18.943 -3.659 -1.297 275 HA LYS 23 HA LYS 23 -21.581 -4.433 -0.410 276 1HB LYS 23 2HB LYS 23 -19.019 -4.275 1.163 277 2HB LYS 23 1HB LYS 23 -20.516 -4.983 1.742 278 1HG LYS 23 2HG LYS 23 -18.822 -5.973 -0.549 279 2HG LYS 23 1HG LYS 23 -18.987 -6.716 1.039 280 1HD LYS 23 2HD LYS 23 -21.220 -6.386 -0.981 281 2HD LYS 23 1HD LYS 23 -20.303 -7.861 -0.702 282 1HE LYS 23 2HE LYS 23 -21.139 -7.935 1.616 283 2HE LYS 23 1HE LYS 23 -22.047 -6.450 1.316 284 1HZ LYS 23 1HZ LYS 23 -22.459 -8.996 -0.150 285 2HZ LYS 23 3HZ LYS 23 -23.430 -8.456 1.114 286 3HZ LYS 23 2HZ LYS 23 -23.362 -7.588 -0.317 287 QB LYS 23 QB LYS 23 -19.767 -4.629 1.452 288 QD LYS 23 QD LYS 23 -20.762 -7.123 -0.841 289 QG LYS 23 QG LYS 23 -18.905 -6.344 0.245 290 QE LYS 23 QE LYS 23 -21.593 -7.192 1.466 291 QZ LYS 23 QZ LYS 23 -23.084 -8.347 0.216 292 H TYR 24 H TYR 24 -19.347 -1.831 0.511 293 HA TYR 24 HA TYR 24 -21.444 -0.666 2.162 294 1HB TYR 24 2HB TYR 24 -18.608 0.225 1.647 295 2HB TYR 24 1HB TYR 24 -19.731 1.042 2.724 296 HD1 TYR 24 1HD TYR 24 -20.826 -0.727 4.507 297 HD2 TYR 24 2HD TYR 24 -17.023 -1.054 2.632 298 HE1 TYR 24 1HE TYR 24 -20.029 -2.111 6.371 299 HE2 TYR 24 2HE TYR 24 -16.227 -2.444 4.494 300 HH TYR 24 HH TYR 24 -18.247 -3.846 6.714 301 QB TYR 24 QB TYR 24 -19.169 0.633 2.185 302 QD TYR 24 QD TYR 24 -18.925 -0.890 3.569 303 QE TYR 24 QE TYR 24 -18.128 -2.277 5.432 304 QR TYR 24 QR TYR 24 -18.526 -1.584 4.501 305 H GLY 25 H GLY 25 -19.508 0.145 -0.650 306 1HA GLY 25 1HA GLY 25 -21.639 1.943 -1.505 307 2HA GLY 25 2HA GLY 25 -20.364 1.275 -2.514 308 QA GLY 25 QA GLY 25 -21.002 1.609 -2.010 309 H PHE 26 H PHE 26 -21.447 3.981 -1.243 310 HA PHE 26 HA PHE 26 -18.790 5.177 -1.084 311 1HB PHE 26 2HB PHE 26 -21.309 6.434 -2.236 312 2HB PHE 26 1HB PHE 26 -19.705 7.155 -2.189 313 HD1 PHE 26 1HD PHE 26 -21.908 4.869 -3.924 314 HD2 PHE 26 2HD PHE 26 -17.904 6.237 -3.596 315 HE1 PHE 26 1HE PHE 26 -21.389 3.840 -6.090 316 HE2 PHE 26 2HE PHE 26 -17.369 5.214 -5.765 317 HZ PHE 26 HZ PHE 26 -19.113 4.016 -7.019 318 QB PHE 26 QB PHE 26 -20.507 6.794 -2.212 319 QD PHE 26 QD PHE 26 -19.906 5.553 -3.760 320 QE PHE 26 QE PHE 26 -19.379 4.527 -5.928 321 QR PHE 26 QR PHE 26 -19.537 4.835 -5.279 322 H THR 27 H THR 27 -19.311 7.587 -0.104 323 HA THR 27 HA THR 27 -19.540 8.728 1.742 324 HB THR 27 HB THR 27 -21.746 8.845 2.847 325 HG1 THR 27 1HG THR 27 -22.334 6.697 1.088 326 1HG2 THR 27 3HG2 THR 27 -21.282 10.212 0.914 327 2HG2 THR 27 2HG2 THR 27 -21.813 8.907 -0.152 328 3HG2 THR 27 1HG2 THR 27 -22.971 9.710 0.903 329 MG THR 27 QG2 THR 27 -22.022 9.610 0.555 330 H HIS 28 H HIS 28 -18.636 5.866 2.034 331 HA HIS 28 HA HIS 28 -19.239 5.541 4.878 332 1HB HIS 28 2HB HIS 28 -18.408 3.584 2.774 333 2HB HIS 28 1HB HIS 28 -18.087 3.241 4.469 334 HD1 HIS 28 1HD HIS 28 -21.035 3.838 2.113 335 HD2 HIS 28 2HD HIS 28 -20.181 2.314 5.883 336 HE1 HIS 28 1HE HIS 28 -23.126 2.675 2.887 337 QB HIS 28 QB HIS 28 -18.247 3.413 3.622 338 H HIS 29 H HIS 29 -17.847 6.249 6.213 339 HA HIS 29 HA HIS 29 -15.308 7.164 5.501 340 1HB HIS 29 2HB HIS 29 -16.487 6.582 8.219 341 2HB HIS 29 1HB HIS 29 -14.898 7.309 7.994 342 HD1 HIS 29 1HD HIS 29 -18.490 8.169 8.131 343 HD2 HIS 29 2HD HIS 29 -14.977 9.873 6.707 344 HE1 HIS 29 1HE HIS 29 -19.006 10.591 7.725 345 QB HIS 29 QB HIS 29 -15.693 6.945 8.107 346 H LYS 30 H LYS 30 -16.369 4.045 6.526 347 HA LYS 30 HA LYS 30 -13.896 2.914 7.171 348 1HB LYS 30 2HB LYS 30 -16.177 1.540 5.750 349 2HB LYS 30 1HB LYS 30 -14.839 0.750 6.573 350 1HG LYS 30 2HG LYS 30 -15.618 1.885 8.687 351 2HG LYS 30 1HG LYS 30 -17.040 2.383 7.770 352 1HD LYS 30 2HD LYS 30 -17.633 0.439 8.956 353 2HD LYS 30 1HD LYS 30 -17.441 0.008 7.245 354 1HE LYS 30 2HE LYS 30 -15.245 -0.950 7.718 355 2HE LYS 30 1HE LYS 30 -15.371 -0.443 9.402 356 1HZ LYS 30 1HZ LYS 30 -17.303 -1.959 9.613 357 2HZ LYS 30 3HZ LYS 30 -17.045 -2.497 8.033 358 3HZ LYS 30 2HZ LYS 30 -15.895 -2.768 9.219 359 QB LYS 30 QB LYS 30 -15.508 1.145 6.161 360 QD LYS 30 QD LYS 30 -17.537 0.223 8.100 361 QG LYS 30 QG LYS 30 -16.329 2.134 8.228 362 QE LYS 30 QE LYS 30 -15.308 -0.696 8.560 363 QZ LYS 30 QZ LYS 30 -16.748 -2.408 8.955 364 H VAL 31 H VAL 31 -15.572 3.195 4.052 365 HA VAL 31 HA VAL 31 -13.565 1.901 2.521 366 HB VAL 31 HB VAL 31 -15.698 3.856 1.588 367 1HG1 VAL 31 3HG1 VAL 31 -13.939 3.553 -0.080 368 2HG1 VAL 31 2HG1 VAL 31 -14.128 1.803 0.033 369 3HG1 VAL 31 1HG1 VAL 31 -15.441 2.788 -0.604 370 1HG2 VAL 31 2HG2 VAL 31 -16.679 1.959 2.750 371 2HG2 VAL 31 1HG2 VAL 31 -17.012 1.869 1.019 372 3HG2 VAL 31 3HG2 VAL 31 -15.765 0.845 1.732 373 MG1 VAL 31 QG1 VAL 31 -14.503 2.715 -0.217 374 MG2 VAL 31 QG2 VAL 31 -16.485 1.558 1.834 375 QG VAL 31 QQG VAL 31 -15.494 2.136 0.808 376 H ILE 32 H ILE 32 -14.270 5.233 3.325 377 HA ILE 32 HA ILE 32 -12.329 6.478 1.745 378 HB ILE 32 HB ILE 32 -13.396 7.385 4.448 379 1HG1 ILE 32 2HG1 ILE 32 -14.263 8.123 1.636 380 2HG1 ILE 32 1HG1 ILE 32 -15.139 7.057 2.723 381 1HG2 ILE 32 1HG2 ILE 32 -11.309 8.539 3.903 382 2HG2 ILE 32 3HG2 ILE 32 -11.954 8.987 2.325 383 3HG2 ILE 32 2HG2 ILE 32 -12.678 9.644 3.790 384 1HD1 ILE 32 3HD1 ILE 32 -15.496 8.936 4.261 385 2HD1 ILE 32 2HD1 ILE 32 -14.615 9.993 3.156 386 3HD1 ILE 32 1HD1 ILE 32 -16.140 9.269 2.653 387 MG ILE 32 QG2 ILE 32 -11.980 9.057 3.339 388 MD ILE 32 QD1 ILE 32 -15.417 9.399 3.357 389 QG ILE 32 QG1 ILE 32 -14.701 7.590 2.179 390 H SER 33 H SER 33 -12.058 5.192 5.082 391 HA SER 33 HA SER 33 -9.348 5.954 5.248 392 1HB SER 33 2HB SER 33 -9.342 4.365 7.270 393 2HB SER 33 1HB SER 33 -10.395 5.773 7.348 394 HG SER 33 HG SER 33 -12.103 4.544 7.210 395 QB SER 33 QB SER 33 -9.868 5.069 7.309 396 H PHE 34 H PHE 34 -10.912 2.961 4.234 397 HA PHE 34 HA PHE 34 -8.526 1.458 4.000 398 1HB PHE 34 2HB PHE 34 -11.056 1.205 2.351 399 2HB PHE 34 1HB PHE 34 -9.738 0.040 2.335 400 HD1 PHE 34 1HD PHE 34 -12.861 0.091 3.194 401 HD2 PHE 34 2HD PHE 34 -9.133 -0.207 5.198 402 HE1 PHE 34 1HE PHE 34 -13.959 -1.104 5.028 403 HE2 PHE 34 2HE PHE 34 -10.222 -1.405 7.051 404 HZ PHE 34 HZ PHE 34 -12.638 -1.855 6.970 405 QB PHE 34 QB PHE 34 -10.397 0.622 2.343 406 QD PHE 34 QD PHE 34 -10.997 -0.058 4.196 407 QE PHE 34 QE PHE 34 -12.091 -1.255 6.040 408 QR PHE 34 QR PHE 34 -11.763 -0.896 5.488 409 H SER 35 H SER 35 -10.113 3.686 1.830 410 HA SER 35 HA SER 35 -8.445 3.346 -0.398 411 1HB SER 35 2HB SER 35 -9.921 5.809 0.539 412 2HB SER 35 1HB SER 35 -9.220 5.587 -1.067 413 HG SER 35 HG SER 35 -11.355 4.140 0.129 414 QB SER 35 QB SER 35 -9.571 5.698 -0.264 415 H GLN 36 H GLN 36 -8.221 5.480 2.408 416 HA GLN 36 HA GLN 36 -5.901 6.848 1.594 417 1HB GLN 36 2HB GLN 36 -7.060 6.368 4.336 418 2HB GLN 36 1HB GLN 36 -5.688 7.421 4.029 419 1HG GLN 36 2HG GLN 36 -7.036 8.872 2.670 420 2HG GLN 36 1HG GLN 36 -8.402 7.764 2.784 421 1HE2 GLN 36 1HE2 GLN 36 -9.588 7.697 4.635 422 2HE2 GLN 36 2HE2 GLN 36 -9.469 8.893 5.883 423 QB GLN 36 QB GLN 36 -6.374 6.894 4.182 424 QG GLN 36 QG GLN 36 -7.719 8.318 2.727 425 QE GLN 36 QE2 GLN 36 -9.529 8.295 5.259 426 H GLU 37 H GLU 37 -6.372 3.819 3.262 427 HA GLU 37 HA GLU 37 -3.636 3.405 3.901 428 1HB GLU 37 2HB GLU 37 -5.966 1.522 3.608 429 2HB GLU 37 1HB GLU 37 -4.343 0.943 3.947 430 1HG GLU 37 2HG GLU 37 -5.850 2.905 5.661 431 2HG GLU 37 1HG GLU 37 -5.752 1.169 5.962 432 QB GLU 37 QB GLU 37 -5.155 1.232 3.778 433 QG GLU 37 QG GLU 37 -5.801 2.037 5.812 434 H LEU 38 H LEU 38 -5.682 2.309 1.248 435 HA LEU 38 HA LEU 38 -3.739 0.869 -0.142 436 1HB LEU 38 2HB LEU 38 -6.161 0.663 -0.533 437 2HB LEU 38 1HB LEU 38 -6.208 2.282 -1.184 438 HG LEU 38 HG LEU 38 -6.338 0.323 -2.830 439 1HD1 LEU 38 1HD1 LEU 38 -4.214 2.408 -3.312 440 2HD1 LEU 38 3HD1 LEU 38 -4.997 1.424 -4.547 441 3HD1 LEU 38 2HD1 LEU 38 -5.940 2.589 -3.620 442 1HD2 LEU 38 2HD2 LEU 38 -3.397 0.210 -2.208 443 2HD2 LEU 38 1HD2 LEU 38 -4.598 -1.037 -1.872 444 3HD2 LEU 38 3HD2 LEU 38 -4.186 -0.630 -3.536 445 MD1 LEU 38 QD1 LEU 38 -5.050 2.141 -3.826 446 MD2 LEU 38 QD2 LEU 38 -4.060 -0.486 -2.539 447 QB LEU 38 QB LEU 38 -6.185 1.473 -0.859 448 QD LEU 38 QQD LEU 38 -4.555 0.828 -3.182 449 H ASP 39 H ASP 39 -4.779 4.220 -0.513 450 HA ASP 39 HA ASP 39 -3.118 4.874 -2.664 451 1HB ASP 39 2HB ASP 39 -5.003 6.278 -1.944 452 2HB ASP 39 1HB ASP 39 -4.128 6.691 -0.477 453 QB ASP 39 QB ASP 39 -4.565 6.485 -1.210 454 H ARG 40 H ARG 40 -2.544 5.040 0.815 455 HA ARG 40 HA ARG 40 0.023 6.184 0.534 456 1HB ARG 40 2HB ARG 40 -1.134 6.437 2.642 457 2HB ARG 40 1HB ARG 40 -1.215 4.698 2.859 458 1HG ARG 40 2HG ARG 40 0.479 5.718 4.300 459 2HG ARG 40 1HG ARG 40 1.201 4.598 3.149 460 1HD ARG 40 2HD ARG 40 1.849 6.530 1.728 461 2HD ARG 40 1HD ARG 40 1.180 7.618 2.950 462 HE ARG 40 HE ARG 40 2.864 6.121 4.371 463 1HH1 ARG 40 1HH1 ARG 40 3.454 8.024 1.351 464 2HH1 ARG 40 2HH1 ARG 40 5.106 8.183 1.712 465 1HH2 ARG 40 1HH2 ARG 40 5.178 6.426 4.722 466 2HH2 ARG 40 2HH2 ARG 40 6.073 7.281 3.537 467 QB ARG 40 QB ARG 40 -1.175 5.568 2.751 468 QG ARG 40 QG ARG 40 0.840 5.158 3.724 469 QD ARG 40 QD ARG 40 1.515 7.074 2.339 470 QH1 ARG 40 QH1 ARG 40 4.280 8.104 1.532 471 QH2 ARG 40 QH2 ARG 40 5.626 6.854 4.130 472 H LEU 41 H LEU 41 -1.095 2.825 0.751 473 HA LEU 41 HA LEU 41 1.453 1.639 0.883 474 1HB LEU 41 2HB LEU 41 -1.068 0.542 -0.381 475 2HB LEU 41 1HB LEU 41 0.384 -0.382 -0.074 476 HG LEU 41 HG LEU 41 -1.367 0.854 2.051 477 1HD1 LEU 41 3HD1 LEU 41 -2.445 -1.018 0.926 478 2HD1 LEU 41 2HD1 LEU 41 -1.012 -2.013 1.196 479 3HD1 LEU 41 1HD1 LEU 41 -1.970 -1.455 2.568 480 1HD2 LEU 41 2HD2 LEU 41 1.055 -0.938 2.257 481 2HD2 LEU 41 1HD2 LEU 41 0.962 0.747 2.761 482 3HD2 LEU 41 3HD2 LEU 41 0.008 -0.479 3.600 483 MD1 LEU 41 QD1 LEU 41 -1.809 -1.495 1.564 484 MD2 LEU 41 QD2 LEU 41 0.675 -0.223 2.872 485 QB LEU 41 QB LEU 41 -0.342 0.080 -0.227 486 QD LEU 41 QQD LEU 41 -0.567 -0.859 2.218 487 H LEU 42 H LEU 42 -0.532 2.529 -1.881 488 HA LEU 42 HA LEU 42 1.231 1.709 -3.935 489 1HB LEU 42 2HB LEU 42 -1.083 2.308 -4.344 490 2HB LEU 42 1HB LEU 42 -0.784 3.957 -3.832 491 HG LEU 42 HG LEU 42 0.781 4.167 -5.790 492 1HD1 LEU 42 2HD1 LEU 42 -0.462 1.546 -6.582 493 2HD1 LEU 42 1HD1 LEU 42 0.510 2.582 -7.628 494 3HD1 LEU 42 3HD1 LEU 42 1.237 1.850 -6.200 495 1HD2 LEU 42 3HD2 LEU 42 -2.122 3.576 -6.355 496 2HD2 LEU 42 2HD2 LEU 42 -1.432 5.120 -5.839 497 3HD2 LEU 42 1HD2 LEU 42 -1.028 4.463 -7.422 498 MD1 LEU 42 QD1 LEU 42 0.428 1.992 -6.803 499 MD2 LEU 42 QD2 LEU 42 -1.527 4.386 -6.539 500 QB LEU 42 QB LEU 42 -0.934 3.132 -4.088 501 QD LEU 42 QQD LEU 42 -0.550 3.189 -6.671 502 H ASN 43 H ASN 43 0.880 4.659 -2.125 503 HA ASN 43 HA ASN 43 2.745 6.234 -3.502 504 1HB ASN 43 2HB ASN 43 0.918 7.053 -2.018 505 2HB ASN 43 1HB ASN 43 1.846 6.478 -0.641 506 1HD2 ASN 43 1HD2 ASN 43 1.726 8.744 -3.239 507 2HD2 ASN 43 2HD2 ASN 43 2.806 9.903 -2.566 508 QB ASN 43 QB ASN 43 1.382 6.765 -1.329 509 QD ASN 43 QD2 ASN 43 2.266 9.324 -2.903 510 H LEU 44 H LEU 44 3.097 3.859 -0.972 511 HA LEU 44 HA LEU 44 5.624 4.540 0.005 512 1HB LEU 44 2HB LEU 44 4.294 1.860 -0.263 513 2HB LEU 44 1HB LEU 44 5.841 2.058 0.525 514 HG LEU 44 HG LEU 44 3.239 3.311 1.423 515 1HD1 LEU 44 1HD1 LEU 44 3.281 0.884 1.728 516 2HD1 LEU 44 3HD1 LEU 44 4.824 1.019 2.572 517 3HD1 LEU 44 2HD1 LEU 44 3.368 1.732 3.270 518 1HD2 LEU 44 1HD2 LEU 44 5.963 3.263 2.717 519 2HD2 LEU 44 3HD2 LEU 44 5.176 4.679 2.017 520 3HD2 LEU 44 2HD2 LEU 44 4.485 3.906 3.436 521 MD1 LEU 44 QD1 LEU 44 3.824 1.212 2.524 522 MD2 LEU 44 QD2 LEU 44 5.208 3.949 2.723 523 QB LEU 44 QB LEU 44 5.068 1.959 0.131 524 QD LEU 44 QQD LEU 44 4.516 2.581 2.623 525 H LEU 45 H LEU 45 4.703 2.727 -2.868 526 HA LEU 45 HA LEU 45 7.287 1.809 -3.599 527 1HB LEU 45 2HB LEU 45 4.997 2.591 -5.413 528 2HB LEU 45 1HB LEU 45 6.392 1.657 -5.886 529 HG LEU 45 HG LEU 45 4.240 0.770 -3.971 530 1HD1 LEU 45 1HD1 LEU 45 4.871 -0.046 -6.807 531 2HD1 LEU 45 3HD1 LEU 45 3.656 -0.791 -5.766 532 3HD1 LEU 45 2HD1 LEU 45 3.470 0.886 -6.266 533 1HD2 LEU 45 1HD2 LEU 45 6.622 -0.723 -5.075 534 2HD2 LEU 45 3HD2 LEU 45 6.418 -0.200 -3.403 535 3HD2 LEU 45 2HD2 LEU 45 5.340 -1.418 -4.084 536 MD1 LEU 45 QD1 LEU 45 3.999 0.016 -6.280 537 MD2 LEU 45 QD2 LEU 45 6.127 -0.780 -4.187 538 QB LEU 45 QB LEU 45 5.694 2.124 -5.649 539 QD LEU 45 QQD LEU 45 5.063 -0.382 -5.233 540 H ILE 46 H ILE 46 5.404 4.604 -4.526 541 HA ILE 46 HA ILE 46 7.231 5.858 -6.231 542 HB ILE 46 HB ILE 46 5.115 7.153 -4.483 543 1HG1 ILE 46 2HG1 ILE 46 4.919 6.165 -7.340 544 2HG1 ILE 46 1HG1 ILE 46 4.252 5.330 -5.945 545 1HG2 ILE 46 1HG2 ILE 46 6.700 8.786 -5.385 546 2HG2 ILE 46 3HG2 ILE 46 6.448 8.149 -7.010 547 3HG2 ILE 46 2HG2 ILE 46 5.129 8.960 -6.165 548 1HD1 ILE 46 3HD1 ILE 46 3.435 8.050 -6.937 549 2HD1 ILE 46 2HD1 ILE 46 2.540 6.542 -7.159 550 3HD1 ILE 46 1HD1 ILE 46 2.756 7.210 -5.543 551 MG ILE 46 QG2 ILE 46 6.092 8.631 -6.187 552 MD ILE 46 QD1 ILE 46 2.911 7.267 -6.546 553 QG ILE 46 QG1 ILE 46 4.585 5.748 -6.642 554 H GLU 47 H GLU 47 6.580 6.384 -2.796 555 HA GLU 47 HA GLU 47 8.453 8.351 -2.252 556 1HB GLU 47 2HB GLU 47 6.677 7.662 -0.710 557 2HB GLU 47 1HB GLU 47 7.461 6.107 -0.495 558 1HG GLU 47 2HG GLU 47 9.389 7.241 0.510 559 2HG GLU 47 1HG GLU 47 8.543 8.780 0.346 560 QB GLU 47 QB GLU 47 7.069 6.884 -0.603 561 QG GLU 47 QG GLU 47 8.966 8.010 0.428 562 H LEU 48 H LEU 48 8.782 4.820 -2.070 563 HA LEU 48 HA LEU 48 11.415 4.832 -1.072 564 1HB LEU 48 2HB LEU 48 9.657 2.952 -1.010 565 2HB LEU 48 1HB LEU 48 10.143 2.594 -2.645 566 HG LEU 48 HG LEU 48 11.114 1.081 -0.898 567 1HD1 LEU 48 1HD1 LEU 48 13.139 2.625 -2.487 568 2HD1 LEU 48 3HD1 LEU 48 13.391 1.045 -1.745 569 3HD1 LEU 48 2HD1 LEU 48 12.207 1.229 -3.039 570 1HD2 LEU 48 2HD2 LEU 48 11.444 2.731 0.850 571 2HD2 LEU 48 1HD2 LEU 48 12.946 1.888 0.479 572 3HD2 LEU 48 3HD2 LEU 48 12.687 3.525 -0.115 573 MD1 LEU 48 QD1 LEU 48 12.912 1.633 -2.424 574 MD2 LEU 48 QD2 LEU 48 12.359 2.714 0.405 575 QB LEU 48 QB LEU 48 9.900 2.773 -1.827 576 QD LEU 48 QQD LEU 48 12.635 2.174 -1.010 577 H LYS 49 H LYS 49 10.113 4.536 -4.349 578 HA LYS 49 HA LYS 49 12.641 4.153 -5.584 579 1HB LYS 49 2HB LYS 49 9.982 4.995 -6.736 580 2HB LYS 49 1HB LYS 49 11.405 4.646 -7.713 581 1HG LYS 49 2HG LYS 49 11.408 2.355 -7.004 582 2HG LYS 49 1HG LYS 49 10.140 2.668 -5.821 583 1HD LYS 49 2HD LYS 49 9.180 1.571 -7.740 584 2HD LYS 49 1HD LYS 49 8.603 3.234 -7.686 585 1HE LYS 49 2HE LYS 49 9.134 2.692 -9.954 586 2HE LYS 49 1HE LYS 49 10.361 3.812 -9.371 587 1HZ LYS 49 3HZ LYS 49 11.841 1.874 -9.031 588 2HZ LYS 49 2HZ LYS 49 10.645 0.869 -9.667 589 3HZ LYS 49 1HZ LYS 49 11.340 2.047 -10.626 590 QB LYS 49 QB LYS 49 10.694 4.820 -7.224 591 QD LYS 49 QD LYS 49 8.891 2.403 -7.713 592 QG LYS 49 QG LYS 49 10.774 2.512 -6.412 593 QE LYS 49 QE LYS 49 9.748 3.252 -9.663 594 QZ LYS 49 QZ LYS 49 11.275 1.597 -9.775 595 H THR 50 H THR 50 10.844 6.990 -4.699 596 HA THR 50 HA THR 50 12.457 8.776 -6.224 597 HB THR 50 HB THR 50 10.821 9.422 -3.737 598 HG1 THR 50 1HG THR 50 9.486 8.533 -5.287 599 1HG2 THR 50 3HG2 THR 50 12.447 11.172 -4.418 600 2HG2 THR 50 2HG2 THR 50 11.742 11.175 -6.032 601 3HG2 THR 50 1HG2 THR 50 10.780 11.699 -4.653 602 MG THR 50 QG2 THR 50 11.656 11.349 -5.034 603 H LYS 51 H LYS 51 12.448 7.704 -2.809 604 HA LYS 51 HA LYS 51 14.654 9.200 -1.997 605 1HB LYS 51 2HB LYS 51 13.462 6.645 -0.948 606 2HB LYS 51 1HB LYS 51 14.762 7.511 -0.143 607 1HG LYS 51 2HG LYS 51 13.355 9.449 0.101 608 2HG LYS 51 1HG LYS 51 12.048 8.625 -0.753 609 1HD LYS 51 2HD LYS 51 11.838 7.016 0.990 610 2HD LYS 51 1HD LYS 51 13.291 7.611 1.794 611 1HE LYS 51 2HE LYS 51 10.751 9.173 1.369 612 2HE LYS 51 1HE LYS 51 11.247 8.422 2.885 613 1HZ LYS 51 2HZ LYS 51 13.205 9.837 2.893 614 2HZ LYS 51 1HZ LYS 51 12.735 10.573 1.466 615 3HZ LYS 51 3HZ LYS 51 11.799 10.776 2.853 616 QB LYS 51 QB LYS 51 14.112 7.078 -0.545 617 QD LYS 51 QD LYS 51 12.564 7.314 1.392 618 QG LYS 51 QG LYS 51 12.702 9.037 -0.326 619 QE LYS 51 QE LYS 51 10.999 8.797 2.127 620 QZ LYS 51 QZ LYS 51 12.580 10.395 2.404 621 H LYS 52 H LYS 52 14.415 5.713 -2.748 622 HA LYS 52 HA LYS 52 16.005 4.107 -3.089 623 1HB LYS 52 2HB LYS 52 17.207 4.456 -5.265 624 2HB LYS 52 1HB LYS 52 15.463 4.680 -5.314 625 1HG LYS 52 2HG LYS 52 15.712 7.030 -5.297 626 2HG LYS 52 1HG LYS 52 17.458 6.910 -5.087 627 1HD LYS 52 2HD LYS 52 17.671 5.938 -7.281 628 2HD LYS 52 1HD LYS 52 15.929 5.723 -7.409 629 1HE LYS 52 2HE LYS 52 17.379 8.368 -7.299 630 2HE LYS 52 1HE LYS 52 16.651 7.644 -8.737 631 1HZ LYS 52 2HZ LYS 52 14.486 7.721 -7.535 632 2HZ LYS 52 1HZ LYS 52 15.207 8.598 -6.306 633 3HZ LYS 52 3HZ LYS 52 15.121 9.235 -7.862 634 QB LYS 52 QB LYS 52 16.335 4.568 -5.289 635 QD LYS 52 QD LYS 52 16.800 5.830 -7.345 636 QG LYS 52 QG LYS 52 16.585 6.970 -5.192 637 QE LYS 52 QE LYS 52 17.015 8.006 -8.018 638 QZ LYS 52 QZ LYS 52 14.938 8.518 -7.234 639 H LYS 53 H LYS 53 16.867 5.828 -1.151 640 HA LYS 53 HA LYS 53 19.655 6.260 -1.702 641 1HB LYS 53 2HB LYS 53 19.581 7.680 0.351 642 2HB LYS 53 1HB LYS 53 18.494 8.076 -0.995 643 1HG LYS 53 2HG LYS 53 17.242 8.468 0.980 644 2HG LYS 53 1HG LYS 53 16.632 6.993 0.260 645 1HD LYS 53 2HD LYS 53 16.751 6.689 2.646 646 2HD LYS 53 1HD LYS 53 18.001 5.692 1.905 647 1HE LYS 53 2HE LYS 53 19.691 7.350 2.480 648 2HE LYS 53 1HE LYS 53 18.449 8.424 3.130 649 1HZ LYS 53 3HZ LYS 53 17.974 6.714 4.815 650 2HZ LYS 53 2HZ LYS 53 19.220 5.755 4.217 651 3HZ LYS 53 1HZ LYS 53 19.570 7.245 4.906 652 QB LYS 53 QB LYS 53 19.037 7.878 -0.322 653 QD LYS 53 QD LYS 53 17.376 6.191 2.275 654 QG LYS 53 QG LYS 53 16.937 7.730 0.620 655 QE LYS 53 QE LYS 53 19.070 7.887 2.805 656 QZ LYS 53 QZ LYS 53 18.921 6.572 4.646 657 H ARG 54 H ARG 54 17.946 3.858 -0.800 658 HA ARG 54 HA ARG 54 19.761 2.760 1.177 659 1HB ARG 54 2HB ARG 54 17.582 1.395 -0.460 660 2HB ARG 54 1HB ARG 54 18.401 0.720 0.939 661 1HG ARG 54 2HG ARG 54 17.379 2.447 2.353 662 2HG ARG 54 1HG ARG 54 16.547 3.088 0.938 663 1HD ARG 54 2HD ARG 54 15.445 0.888 0.645 664 2HD ARG 54 1HD ARG 54 16.209 0.344 2.140 665 HE ARG 54 HE ARG 54 14.709 2.764 2.428 666 1HH1 ARG 54 1HH1 ARG 54 14.498 -0.779 2.514 667 2HH1 ARG 54 2HH1 ARG 54 13.029 -0.794 3.355 668 1HH2 ARG 54 1HH2 ARG 54 12.669 2.703 3.633 669 2HH2 ARG 54 2HH2 ARG 54 11.981 1.196 4.004 670 QB ARG 54 QB ARG 54 17.992 1.057 0.239 671 QG ARG 54 QG ARG 54 16.963 2.768 1.645 672 QD ARG 54 QD ARG 54 15.827 0.616 1.393 673 QH1 ARG 54 QH1 ARG 54 13.764 -0.786 2.934 674 QH2 ARG 54 QH2 ARG 54 12.325 1.950 3.818 675 H TYR 55 H TYR 55 21.474 1.490 0.477 676 HA TYR 55 HA TYR 55 22.081 2.094 -2.253 677 1HB TYR 55 2HB TYR 55 23.842 0.970 -0.103 678 2HB TYR 55 1HB TYR 55 24.395 1.424 -1.725 679 HD1 TYR 55 1HD TYR 55 24.122 3.782 -2.476 680 HD2 TYR 55 2HD TYR 55 23.466 2.604 1.530 681 HE1 TYR 55 1HE TYR 55 24.231 6.135 -1.779 682 HE2 TYR 55 2HE TYR 55 23.577 4.944 2.251 683 HH TYR 55 HH TYR 55 24.609 7.045 1.392 684 QB TYR 55 QB TYR 55 24.119 1.197 -0.914 685 QD TYR 55 QD TYR 55 23.794 3.193 -0.473 686 QE TYR 55 QE TYR 55 23.904 5.540 0.236 687 QR TYR 55 QR TYR 55 23.849 4.366 -0.118 688 H SER 56 H SER 56 20.356 -0.174 -1.277 689 HA SER 56 HA SER 56 21.276 -2.547 -2.368 690 1HB SER 56 2HB SER 56 18.758 -2.939 -2.577 691 2HB SER 56 1HB SER 56 19.365 -2.549 -0.965 692 HG SER 56 HG SER 56 17.443 -1.413 -1.759 693 QB SER 56 QB SER 56 19.062 -2.744 -1.771 694 H LEU 57 H LEU 57 19.696 0.275 -3.733 695 HA LEU 57 HA LEU 57 19.276 -0.779 -6.341 696 1HB LEU 57 2HB LEU 57 19.397 2.101 -5.433 697 2HB LEU 57 1HB LEU 57 19.002 1.612 -7.059 698 HG LEU 57 HG LEU 57 16.981 2.163 -6.057 699 1HD1 LEU 57 2HD1 LEU 57 16.799 0.196 -7.355 700 2HD1 LEU 57 1HD1 LEU 57 17.167 -0.820 -5.958 701 3HD1 LEU 57 3HD1 LEU 57 15.679 0.127 -5.997 702 1HD2 LEU 57 3HD2 LEU 57 17.715 0.469 -3.668 703 2HD2 LEU 57 2HD2 LEU 57 17.634 2.233 -3.740 704 3HD2 LEU 57 1HD2 LEU 57 16.164 1.282 -3.917 705 MD1 LEU 57 QD1 LEU 57 16.548 -0.166 -6.437 706 MD2 LEU 57 QD2 LEU 57 17.171 1.328 -3.775 707 QB LEU 57 QB LEU 57 19.199 1.857 -6.246 708 QD LEU 57 QQD LEU 57 16.860 0.581 -5.106 709 H LEU 58 H LEU 58 22.070 0.321 -4.794 710 HA LEU 58 HA LEU 58 23.345 0.890 -7.350 711 1HB LEU 58 2HB LEU 58 24.345 1.311 -4.530 712 2HB LEU 58 1HB LEU 58 25.368 1.497 -5.933 713 HG LEU 58 HG LEU 58 23.778 3.299 -6.724 714 1HD1 LEU 58 1HD1 LEU 58 22.716 3.106 -3.920 715 2HD1 LEU 58 3HD1 LEU 58 22.380 4.404 -5.066 716 3HD1 LEU 58 2HD1 LEU 58 21.832 2.763 -5.408 717 1HD2 LEU 58 3HD2 LEU 58 25.291 3.711 -4.150 718 2HD2 LEU 58 2HD2 LEU 58 25.913 3.857 -5.789 719 3HD2 LEU 58 1HD2 LEU 58 24.710 5.002 -5.203 720 MD1 LEU 58 QD1 LEU 58 22.310 3.424 -4.798 721 MD2 LEU 58 QD2 LEU 58 25.305 4.190 -5.048 722 QB LEU 58 QB LEU 58 24.856 1.404 -5.232 723 QD LEU 58 QQD LEU 58 23.807 3.807 -4.923 724 H GLU 59 H GLU 59 23.723 -1.237 -4.535 725 HA GLU 59 HA GLU 59 25.888 -2.719 -5.576 726 1HB GLU 59 2HB GLU 59 23.771 -3.656 -3.635 727 2HB GLU 59 1HB GLU 59 25.345 -4.392 -3.876 728 1HG GLU 59 2HG GLU 59 26.409 -2.342 -3.053 729 2HG GLU 59 1HG GLU 59 24.815 -1.649 -2.769 730 QB GLU 59 QB GLU 59 24.558 -4.024 -3.756 731 QG GLU 59 QG GLU 59 25.612 -1.996 -2.911 732 H HIS 60 H HIS 60 22.527 -2.948 -5.891 733 HA HIS 60 HA HIS 60 22.777 -5.229 -7.736 734 1HB HIS 60 2HB HIS 60 20.471 -4.527 -5.889 735 2HB HIS 60 1HB HIS 60 20.461 -5.840 -7.061 736 HD1 HIS 60 1HD HIS 60 21.594 -5.011 -3.586 737 HD2 HIS 60 2HD HIS 60 22.150 -7.998 -6.421 738 HE1 HIS 60 1HE HIS 60 22.600 -6.940 -2.376 739 QB HIS 60 QB HIS 60 20.466 -5.184 -6.475 740 H HIS 61 H HIS 61 23.205 -2.697 -8.587 741 HA HIS 61 HA HIS 61 21.028 -1.213 -9.426 742 1HB HIS 61 2HB HIS 61 22.525 -0.250 -11.204 743 2HB HIS 61 1HB HIS 61 23.200 -0.201 -9.588 744 HD1 HIS 61 1HD HIS 61 25.402 -1.480 -9.210 745 HD2 HIS 61 2HD HIS 61 23.824 -1.976 -13.019 746 HE1 HIS 61 1HE HIS 61 27.228 -2.531 -10.597 747 QB HIS 61 QB HIS 61 22.863 -0.225 -10.396 748 H HIS 62 H HIS 62 19.622 -1.267 -11.008 749 HA HIS 62 HA HIS 62 19.429 -3.841 -12.312 750 1HB HIS 62 2HB HIS 62 17.545 -2.718 -10.947 751 2HB HIS 62 1HB HIS 62 17.329 -1.682 -12.349 752 HD1 HIS 62 1HD HIS 62 16.662 -5.108 -11.083 753 HD2 HIS 62 2HD HIS 62 16.293 -2.992 -14.640 754 HE1 HIS 62 1HE HIS 62 15.158 -6.476 -12.564 755 QB HIS 62 QB HIS 62 17.437 -2.200 -11.648 756 H HIS 63 H HIS 63 21.203 -3.227 -13.664 757 HA HIS 63 HA HIS 63 20.282 -1.789 -16.044 758 1HB HIS 63 2HB HIS 63 22.039 -0.544 -14.595 759 2HB HIS 63 1HB HIS 63 23.154 -1.809 -15.085 760 HD1 HIS 63 1HD HIS 63 21.417 1.248 -16.348 761 HD2 HIS 63 2HD HIS 63 24.039 -1.652 -17.743 762 HE1 HIS 63 1HE HIS 63 22.367 2.153 -18.491 763 QB HIS 63 QB HIS 63 22.597 -1.176 -14.840 764 H HIS 64 H HIS 64 19.611 -3.959 -16.550 765 HA HIS 64 HA HIS 64 21.768 -5.842 -17.090 766 1HB HIS 64 2HB HIS 64 19.922 -6.532 -15.527 767 2HB HIS 64 1HB HIS 64 18.792 -6.352 -16.859 768 HD1 HIS 64 1HD HIS 64 21.031 -8.768 -15.276 769 HD2 HIS 64 2HD HIS 64 19.301 -8.268 -19.018 770 HE1 HIS 64 1HE HIS 64 21.099 -11.025 -16.381 771 QB HIS 64 QB HIS 64 19.357 -6.442 -16.193 No H/Q in entry = 771 Start of MODEL 17 1 H1 MET 1 2HT MET 1 12.708 -7.197 0.748 2 H2 MET 1 1HT MET 1 12.527 -8.854 0.538 3 H3 MET 1 3HT MET 1 13.968 -8.220 1.182 4 HA MET 1 HA MET 1 14.468 -7.160 -0.901 5 1HB MET 1 2HB MET 1 13.546 -10.006 -1.411 6 2HB MET 1 1HB MET 1 14.677 -9.093 -2.389 7 1HG MET 1 2HG MET 1 16.266 -9.079 -0.595 8 2HG MET 1 1HG MET 1 15.126 -9.917 0.463 9 1HE MET 1 3HE MET 1 15.897 -10.511 -3.374 10 2HE MET 1 2HE MET 1 17.475 -10.170 -2.666 11 3HE MET 1 1HE MET 1 17.111 -11.787 -3.264 12 QB MET 1 QB MET 1 14.112 -9.549 -1.900 13 QG MET 1 QG MET 1 15.696 -9.498 -0.066 14 ME MET 1 QE MET 1 16.828 -10.823 -3.102 15 H ASN 2 H ASN 2 13.792 -6.462 -2.892 16 HA ASN 2 HA ASN 2 12.506 -5.847 -4.615 17 1HB ASN 2 2HB ASN 2 11.347 -8.595 -4.193 18 2HB ASN 2 1HB ASN 2 11.002 -7.576 -5.587 19 1HD2 ASN 2 1HD2 ASN 2 11.881 -9.192 -6.936 20 2HD2 ASN 2 2HD2 ASN 2 13.582 -9.380 -7.083 21 QB ASN 2 QB ASN 2 11.175 -8.086 -4.890 22 QD ASN 2 QD2 ASN 2 12.732 -9.286 -7.009 23 H VAL 3 H VAL 3 11.206 -4.230 -4.540 24 HA VAL 3 HA VAL 3 9.142 -3.865 -2.657 25 HB VAL 3 HB VAL 3 8.521 -1.877 -3.992 26 1HG1 VAL 3 2HG1 VAL 3 11.461 -2.249 -3.407 27 2HG1 VAL 3 1HG1 VAL 3 10.674 -0.684 -3.642 28 3HG1 VAL 3 3HG1 VAL 3 10.229 -1.704 -2.273 29 1HG2 VAL 3 2HG2 VAL 3 9.023 -2.726 -6.216 30 2HG2 VAL 3 1HG2 VAL 3 9.938 -1.241 -5.915 31 3HG2 VAL 3 3HG2 VAL 3 10.732 -2.814 -5.819 32 MG1 VAL 3 QG1 VAL 3 10.788 -1.546 -3.107 33 MG2 VAL 3 QG2 VAL 3 9.898 -2.261 -5.983 34 QG VAL 3 QQG VAL 3 10.343 -1.903 -4.545 35 H THR 4 H THR 4 9.114 -5.519 -5.593 36 HA THR 4 HA THR 4 6.499 -5.141 -6.459 37 HB THR 4 HB THR 4 8.202 -6.283 -7.818 38 HG1 THR 4 1HG THR 4 6.017 -6.648 -8.313 39 1HG2 THR 4 3HG2 THR 4 9.187 -7.594 -6.010 40 2HG2 THR 4 2HG2 THR 4 7.765 -8.636 -5.995 41 3HG2 THR 4 1HG2 THR 4 8.811 -8.599 -7.420 42 MG THR 4 QG2 THR 4 8.588 -8.276 -6.475 43 H LYS 5 H LYS 5 7.686 -7.073 -3.784 44 HA LYS 5 HA LYS 5 5.324 -8.640 -3.494 45 1HB LYS 5 2HB LYS 5 6.118 -9.253 -1.265 46 2HB LYS 5 1HB LYS 5 7.430 -9.358 -2.424 47 1HG LYS 5 2HG LYS 5 8.281 -7.183 -1.614 48 2HG LYS 5 1HG LYS 5 6.985 -7.149 -0.421 49 1HD LYS 5 2HD LYS 5 9.117 -9.292 -0.611 50 2HD LYS 5 1HD LYS 5 9.150 -7.943 0.514 51 1HE LYS 5 2HE LYS 5 7.001 -10.071 0.422 52 2HE LYS 5 1HE LYS 5 8.354 -10.050 1.545 53 1HZ LYS 5 2HZ LYS 5 6.231 -7.973 1.371 54 2HZ LYS 5 1HZ LYS 5 6.347 -9.177 2.542 55 3HZ LYS 5 3HZ LYS 5 7.517 -7.970 2.448 56 QB LYS 5 QB LYS 5 6.774 -9.305 -1.845 57 QD LYS 5 QD LYS 5 9.133 -8.618 -0.048 58 QG LYS 5 QG LYS 5 7.633 -7.166 -1.018 59 QE LYS 5 QE LYS 5 7.678 -10.061 0.983 60 QZ LYS 5 QZ LYS 5 6.698 -8.373 2.121 61 H LEU 6 H LEU 6 6.165 -5.450 -2.501 62 HA LEU 6 HA LEU 6 3.982 -5.153 -0.678 63 1HB LEU 6 2HB LEU 6 6.114 -3.790 -0.665 64 2HB LEU 6 1HB LEU 6 5.527 -3.034 -2.137 65 HG LEU 6 HG LEU 6 3.675 -2.006 -0.936 66 1HD1 LEU 6 2HD1 LEU 6 4.782 -3.398 1.503 67 2HD1 LEU 6 1HD1 LEU 6 3.500 -2.183 1.494 68 3HD1 LEU 6 3HD1 LEU 6 3.242 -3.742 0.718 69 1HD2 LEU 6 3HD2 LEU 6 6.323 -1.644 0.442 70 2HD2 LEU 6 2HD2 LEU 6 5.773 -0.817 -1.021 71 3HD2 LEU 6 1HD2 LEU 6 4.955 -0.533 0.510 72 MD1 LEU 6 QD1 LEU 6 3.841 -3.108 1.238 73 MD2 LEU 6 QD2 LEU 6 5.683 -0.998 -0.023 74 QB LEU 6 QB LEU 6 5.821 -3.412 -1.401 75 QD LEU 6 QQD LEU 6 4.762 -2.053 0.608 76 H ASN 7 H ASN 7 4.587 -4.721 -4.047 77 HA ASN 7 HA ASN 7 2.208 -3.329 -4.688 78 1HB ASN 7 2HB ASN 7 4.127 -4.919 -6.375 79 2HB ASN 7 1HB ASN 7 2.640 -4.278 -7.057 80 1HD2 ASN 7 1HD2 ASN 7 5.755 -3.455 -5.666 81 2HD2 ASN 7 2HD2 ASN 7 5.751 -1.844 -6.266 82 QB ASN 7 QB ASN 7 3.383 -4.598 -6.716 83 QD ASN 7 QD2 ASN 7 5.753 -2.650 -5.966 84 H ASP 8 H ASP 8 3.084 -6.686 -4.435 85 HA ASP 8 HA ASP 8 0.775 -7.913 -5.413 86 1HB ASP 8 2HB ASP 8 2.796 -9.172 -4.712 87 2HB ASP 8 1HB ASP 8 2.460 -8.767 -3.036 88 QB ASP 8 QB ASP 8 2.628 -8.970 -3.874 89 H ARG 9 H ARG 9 1.544 -6.638 -2.213 90 HA ARG 9 HA ARG 9 -0.983 -7.119 -1.048 91 1HB ARG 9 2HB ARG 9 1.165 -5.137 -0.336 92 2HB ARG 9 1HB ARG 9 -0.356 -5.210 0.529 93 1HG ARG 9 2HG ARG 9 0.140 -7.563 1.108 94 2HG ARG 9 1HG ARG 9 1.717 -7.378 0.328 95 1HD ARG 9 2HD ARG 9 2.323 -5.617 1.865 96 2HD ARG 9 1HD ARG 9 0.713 -5.633 2.574 97 HE ARG 9 HE ARG 9 1.911 -8.174 2.766 98 1HH1 ARG 9 1HH1 ARG 9 2.051 -4.938 4.249 99 2HH1 ARG 9 2HH1 ARG 9 2.597 -5.523 5.746 100 1HH2 ARG 9 1HH2 ARG 9 2.666 -8.926 4.846 101 2HH2 ARG 9 2HH2 ARG 9 2.960 -7.824 6.097 102 QB ARG 9 QB ARG 9 0.404 -5.173 0.096 103 QG ARG 9 QG ARG 9 0.929 -7.470 0.718 104 QD ARG 9 QD ARG 9 1.518 -5.625 2.220 105 QH1 ARG 9 QH1 ARG 9 2.324 -5.231 4.997 106 QH2 ARG 9 QH2 ARG 9 2.813 -8.375 5.471 107 H ILE 10 H ILE 10 0.316 -4.304 -2.753 108 HA ILE 10 HA ILE 10 -1.813 -2.558 -2.355 109 HB ILE 10 HB ILE 10 -0.023 -2.800 -4.801 110 1HG1 ILE 10 2HG1 ILE 10 0.090 -0.956 -2.400 111 2HG1 ILE 10 1HG1 ILE 10 1.158 -2.318 -2.702 112 1HG2 ILE 10 3HG2 ILE 10 -2.123 -1.602 -5.340 113 2HG2 ILE 10 2HG2 ILE 10 -1.791 -0.498 -4.006 114 3HG2 ILE 10 1HG2 ILE 10 -0.709 -0.528 -5.390 115 1HD1 ILE 10 3HD1 ILE 10 2.025 -1.177 -4.690 116 2HD1 ILE 10 2HD1 ILE 10 0.951 0.178 -4.367 117 3HD1 ILE 10 1HD1 ILE 10 2.237 -0.215 -3.227 118 MG ILE 10 QG2 ILE 10 -1.541 -0.876 -4.912 119 MD ILE 10 QD1 ILE 10 1.738 -0.405 -4.095 120 QG ILE 10 QG1 ILE 10 0.624 -1.637 -2.551 121 H GLU 11 H GLU 11 -1.330 -4.768 -5.090 122 HA GLU 11 HA GLU 11 -3.770 -4.399 -6.368 123 1HB GLU 11 2HB GLU 11 -1.988 -6.812 -6.167 124 2HB GLU 11 1HB GLU 11 -3.411 -6.769 -7.196 125 1HG GLU 11 2HG GLU 11 -1.055 -4.907 -7.398 126 2HG GLU 11 1HG GLU 11 -1.347 -6.305 -8.432 127 QB GLU 11 QB GLU 11 -2.699 -6.791 -6.682 128 QG GLU 11 QG GLU 11 -1.201 -5.606 -7.915 129 H ALA 12 H ALA 12 -2.905 -6.604 -3.774 130 HA ALA 12 HA ALA 12 -5.352 -7.972 -3.627 131 1HB ALA 12 2HB ALA 12 -3.231 -8.758 -2.657 132 2HB ALA 12 3HB ALA 12 -4.565 -8.796 -1.505 133 3HB ALA 12 1HB ALA 12 -3.356 -7.511 -1.422 134 MB ALA 12 QB ALA 12 -3.718 -8.355 -1.861 135 H LYS 13 H LYS 13 -4.192 -5.024 -2.091 136 HA LYS 13 HA LYS 13 -6.426 -4.835 -0.315 137 1HB LYS 13 2HB LYS 13 -4.312 -2.807 -1.043 138 2HB LYS 13 1HB LYS 13 -5.517 -2.559 0.206 139 1HG LYS 13 2HG LYS 13 -3.488 -4.786 0.206 140 2HG LYS 13 1HG LYS 13 -3.271 -3.269 1.046 141 1HD LYS 13 2HD LYS 13 -5.607 -5.099 1.610 142 2HD LYS 13 1HD LYS 13 -4.052 -5.288 2.403 143 1HE LYS 13 2HE LYS 13 -5.373 -4.039 3.904 144 2HE LYS 13 1HE LYS 13 -4.297 -2.874 3.153 145 1HZ LYS 13 3HZ LYS 13 -6.194 -2.207 1.694 146 2HZ LYS 13 2HZ LYS 13 -7.158 -3.327 2.539 147 3HZ LYS 13 1HZ LYS 13 -6.508 -2.027 3.336 148 QB LYS 13 QB LYS 13 -4.915 -2.683 -0.419 149 QD LYS 13 QD LYS 13 -4.830 -5.194 2.007 150 QG LYS 13 QG LYS 13 -3.379 -4.028 0.626 151 QE LYS 13 QE LYS 13 -4.835 -3.456 3.529 152 QZ LYS 13 QZ LYS 13 -6.620 -2.520 2.523 153 H LYS 14 H LYS 14 -5.622 -3.620 -3.451 154 HA LYS 14 HA LYS 14 -7.800 -1.830 -3.739 155 1HB LYS 14 2HB LYS 14 -6.191 -3.383 -5.771 156 2HB LYS 14 1HB LYS 14 -7.418 -2.200 -6.209 157 1HG LYS 14 2HG LYS 14 -6.203 -0.432 -5.222 158 2HG LYS 14 1HG LYS 14 -5.125 -1.571 -4.417 159 1HD LYS 14 2HD LYS 14 -4.006 -0.508 -6.286 160 2HD LYS 14 1HD LYS 14 -4.209 -2.230 -6.572 161 1HE LYS 14 2HE LYS 14 -4.652 -0.957 -8.564 162 2HE LYS 14 1HE LYS 14 -6.114 -1.774 -8.006 163 1HZ LYS 14 2HZ LYS 14 -5.512 1.113 -7.537 164 2HZ LYS 14 1HZ LYS 14 -6.510 0.496 -8.748 165 3HZ LYS 14 3HZ LYS 14 -6.938 0.310 -7.143 166 QB LYS 14 QB LYS 14 -6.805 -2.792 -5.990 167 QD LYS 14 QD LYS 14 -4.108 -1.369 -6.429 168 QG LYS 14 QG LYS 14 -5.664 -1.002 -4.819 169 QE LYS 14 QE LYS 14 -5.383 -1.366 -8.285 170 QZ LYS 14 QZ LYS 14 -6.320 0.640 -7.809 171 H LYS 15 H LYS 15 -7.390 -5.236 -4.576 172 HA LYS 15 HA LYS 15 -10.013 -5.652 -5.545 173 1HB LYS 15 2HB LYS 15 -8.085 -7.609 -4.274 174 2HB LYS 15 1HB LYS 15 -9.553 -8.064 -5.131 175 1HG LYS 15 2HG LYS 15 -8.690 -7.160 -7.188 176 2HG LYS 15 1HG LYS 15 -7.275 -6.528 -6.349 177 1HD LYS 15 2HD LYS 15 -6.688 -8.551 -7.536 178 2HD LYS 15 1HD LYS 15 -6.600 -8.834 -5.802 179 1HE LYS 15 2HE LYS 15 -8.790 -9.928 -5.873 180 2HE LYS 15 1HE LYS 15 -8.879 -9.632 -7.609 181 1HZ LYS 15 3HZ LYS 15 -6.832 -11.290 -6.240 182 2HZ LYS 15 2HZ LYS 15 -8.143 -11.888 -7.082 183 3HZ LYS 15 1HZ LYS 15 -6.936 -11.048 -7.909 184 QB LYS 15 QB LYS 15 -8.819 -7.836 -4.702 185 QD LYS 15 QD LYS 15 -6.644 -8.693 -6.669 186 QG LYS 15 QG LYS 15 -7.983 -6.844 -6.768 187 QE LYS 15 QE LYS 15 -8.834 -9.780 -6.741 188 QZ LYS 15 QZ LYS 15 -7.304 -11.409 -7.077 189 H GLU 16 H GLU 16 -8.592 -5.883 -2.360 190 HA GLU 16 HA GLU 16 -10.801 -6.807 -0.908 191 1HB GLU 16 2HB GLU 16 -8.524 -6.685 0.001 192 2HB GLU 16 1HB GLU 16 -8.576 -4.936 -0.103 193 1HG GLU 16 2HG GLU 16 -10.411 -4.923 1.536 194 2HG GLU 16 1HG GLU 16 -10.247 -6.671 1.693 195 QB GLU 16 QB GLU 16 -8.550 -5.811 -0.051 196 QG GLU 16 QG GLU 16 -10.329 -5.797 1.615 197 H LEU 17 H LEU 17 -9.684 -3.554 -1.682 198 HA LEU 17 HA LEU 17 -11.597 -2.043 -0.337 199 1HB LEU 17 2HB LEU 17 -9.376 -1.496 -1.724 200 2HB LEU 17 1HB LEU 17 -10.544 -1.107 -2.960 201 HG LEU 17 HG LEU 17 -10.263 0.198 -0.260 202 1HD1 LEU 17 3HD1 LEU 17 -9.680 1.150 -3.031 203 2HD1 LEU 17 2HD1 LEU 17 -9.696 2.170 -1.598 204 3HD1 LEU 17 1HD1 LEU 17 -8.527 0.843 -1.734 205 1HD2 LEU 17 1HD2 LEU 17 -12.222 0.863 -2.469 206 2HD2 LEU 17 3HD2 LEU 17 -12.630 0.170 -0.896 207 3HD2 LEU 17 2HD2 LEU 17 -11.968 1.797 -0.995 208 MD1 LEU 17 QD1 LEU 17 -9.301 1.388 -2.121 209 MD2 LEU 17 QD2 LEU 17 -12.273 0.943 -1.454 210 QB LEU 17 QB LEU 17 -9.960 -1.302 -2.342 211 QD LEU 17 QQD LEU 17 -10.787 1.165 -1.787 212 H ILE 18 H ILE 18 -11.554 -3.230 -3.696 213 HA ILE 18 HA ILE 18 -14.012 -2.199 -4.548 214 HB ILE 18 HB ILE 18 -12.723 -4.827 -5.364 215 1HG1 ILE 18 2HG1 ILE 18 -12.614 -2.109 -6.692 216 2HG1 ILE 18 1HG1 ILE 18 -11.324 -2.808 -5.723 217 1HG2 ILE 18 3HG2 ILE 18 -15.092 -4.789 -5.977 218 2HG2 ILE 18 2HG2 ILE 18 -14.872 -3.228 -6.768 219 3HG2 ILE 18 1HG2 ILE 18 -14.074 -4.662 -7.412 220 1HD1 ILE 18 3HD1 ILE 18 -12.412 -3.950 -8.275 221 2HD1 ILE 18 2HD1 ILE 18 -10.923 -3.021 -8.116 222 3HD1 ILE 18 1HD1 ILE 18 -11.070 -4.602 -7.333 223 MG ILE 18 QG2 ILE 18 -14.679 -4.226 -6.719 224 MD ILE 18 QD1 ILE 18 -11.468 -3.858 -7.908 225 QG ILE 18 QG1 ILE 18 -11.969 -2.458 -6.207 226 H TYR 19 H TYR 19 -13.294 -5.309 -3.039 227 HA TYR 19 HA TYR 19 -15.911 -6.297 -2.877 228 1HB TYR 19 2HB TYR 19 -14.058 -7.794 -2.494 229 2HB TYR 19 1HB TYR 19 -13.461 -6.802 -1.174 230 HD1 TYR 19 1HD TYR 19 -14.084 -7.260 1.022 231 HD2 TYR 19 2HD TYR 19 -16.333 -8.969 -2.162 232 HE1 TYR 19 1HE TYR 19 -15.345 -8.594 2.639 233 HE2 TYR 19 2HE TYR 19 -17.608 -10.317 -0.537 234 HH TYR 19 HH TYR 19 -17.251 -11.182 1.786 235 QB TYR 19 QB TYR 19 -13.759 -7.298 -1.834 236 QD TYR 19 QD TYR 19 -15.209 -8.115 -0.570 237 QE TYR 19 QE TYR 19 -16.476 -9.456 1.051 238 QR TYR 19 QR TYR 19 -15.843 -8.785 0.241 239 H LEU 20 H LEU 20 -14.042 -4.343 -0.633 240 HA LEU 20 HA LEU 20 -15.949 -4.179 1.400 241 1HB LEU 20 2HB LEU 20 -13.718 -2.305 0.648 242 2HB LEU 20 1HB LEU 20 -14.687 -2.115 2.095 243 HG LEU 20 HG LEU 20 -13.044 -4.582 1.503 244 1HD1 LEU 20 3HD1 LEU 20 -12.400 -2.232 3.278 245 2HD1 LEU 20 2HD1 LEU 20 -11.481 -3.730 3.175 246 3HD1 LEU 20 1HD1 LEU 20 -11.579 -2.655 1.779 247 1HD2 LEU 20 3HD2 LEU 20 -14.402 -3.594 3.998 248 2HD2 LEU 20 2HD2 LEU 20 -14.931 -4.954 3.004 249 3HD2 LEU 20 1HD2 LEU 20 -13.404 -5.042 3.881 250 MD1 LEU 20 QD1 LEU 20 -11.820 -2.872 2.744 251 MD2 LEU 20 QD2 LEU 20 -14.246 -4.530 3.628 252 QB LEU 20 QB LEU 20 -14.202 -2.210 1.372 253 QD LEU 20 QQD LEU 20 -13.033 -3.701 3.186 254 H VAL 21 H VAL 21 -15.466 -2.107 -1.427 255 HA VAL 21 HA VAL 21 -17.481 -0.252 -0.758 256 HB VAL 21 HB VAL 21 -16.571 -1.070 -3.548 257 1HG1 VAL 21 1HG1 VAL 21 -18.087 1.375 -2.632 258 2HG1 VAL 21 3HG1 VAL 21 -17.471 1.102 -4.261 259 3HG1 VAL 21 2HG1 VAL 21 -18.736 0.057 -3.604 260 1HG2 VAL 21 2HG2 VAL 21 -15.707 1.220 -1.792 261 2HG2 VAL 21 1HG2 VAL 21 -14.744 -0.200 -2.193 262 3HG2 VAL 21 3HG2 VAL 21 -15.182 0.950 -3.456 263 MG1 VAL 21 QG1 VAL 21 -18.098 0.845 -3.499 264 MG2 VAL 21 QG2 VAL 21 -15.211 0.657 -2.480 265 QG VAL 21 QQG VAL 21 -16.655 0.751 -2.990 266 H GLU 22 H GLU 22 -17.579 -3.287 -2.513 267 HA GLU 22 HA GLU 22 -20.289 -3.306 -3.232 268 1HB GLU 22 2HB GLU 22 -18.404 -5.564 -2.591 269 2HB GLU 22 1HB GLU 22 -20.036 -5.815 -3.187 270 1HG GLU 22 2HG GLU 22 -17.889 -4.285 -4.640 271 2HG GLU 22 1HG GLU 22 -18.308 -5.970 -4.937 272 QB GLU 22 QB GLU 22 -19.220 -5.689 -2.889 273 QG GLU 22 QG GLU 22 -18.099 -5.128 -4.788 274 H LYS 23 H LYS 23 -18.718 -4.152 -0.233 275 HA LYS 23 HA LYS 23 -21.109 -5.288 0.941 276 1HB LYS 23 2HB LYS 23 -18.472 -4.551 2.216 277 2HB LYS 23 1HB LYS 23 -19.759 -5.449 2.996 278 1HG LYS 23 2HG LYS 23 -18.287 -6.368 0.533 279 2HG LYS 23 1HG LYS 23 -17.881 -6.849 2.174 280 1HD LYS 23 2HD LYS 23 -20.574 -7.339 0.892 281 2HD LYS 23 1HD LYS 23 -19.252 -8.502 0.897 282 1HE LYS 23 2HE LYS 23 -20.618 -7.362 3.346 283 2HE LYS 23 1HE LYS 23 -20.853 -8.974 2.681 284 1HZ LYS 23 2HZ LYS 23 -18.462 -9.413 3.098 285 2HZ LYS 23 1HZ LYS 23 -18.326 -7.908 3.829 286 3HZ LYS 23 3HZ LYS 23 -19.315 -9.084 4.504 287 QB LYS 23 QB LYS 23 -19.115 -5.000 2.606 288 QD LYS 23 QD LYS 23 -19.913 -7.921 0.895 289 QG LYS 23 QG LYS 23 -18.084 -6.608 1.354 290 QE LYS 23 QE LYS 23 -20.735 -8.168 3.013 291 QZ LYS 23 QZ LYS 23 -18.701 -8.801 3.810 292 H TYR 24 H TYR 24 -19.203 -2.346 1.389 293 HA TYR 24 HA TYR 24 -20.956 -1.420 3.434 294 1HB TYR 24 2HB TYR 24 -18.468 -0.336 2.177 295 2HB TYR 24 1HB TYR 24 -19.437 0.680 3.256 296 HD1 TYR 24 1HD TYR 24 -19.488 0.209 5.624 297 HD2 TYR 24 2HD TYR 24 -17.310 -2.313 2.991 298 HE1 TYR 24 1HE TYR 24 -18.377 -0.835 7.553 299 HE2 TYR 24 2HE TYR 24 -16.193 -3.362 4.918 300 HH TYR 24 HH TYR 24 -15.651 -2.840 7.244 301 QB TYR 24 QB TYR 24 -18.952 0.172 2.716 302 QD TYR 24 QD TYR 24 -18.399 -1.052 4.308 303 QE TYR 24 QE TYR 24 -17.285 -2.098 6.235 304 QR TYR 24 QR TYR 24 -17.842 -1.575 5.272 305 H GLY 25 H GLY 25 -20.418 -0.452 0.048 306 1HA GLY 25 1HA GLY 25 -22.821 1.194 0.356 307 2HA GLY 25 2HA GLY 25 -22.633 0.054 -0.968 308 QA GLY 25 QA GLY 25 -22.727 0.624 -0.306 309 H PHE 26 H PHE 26 -21.754 3.134 0.282 310 HA PHE 26 HA PHE 26 -20.435 3.651 -2.255 311 1HB PHE 26 2HB PHE 26 -22.501 5.347 -0.873 312 2HB PHE 26 1HB PHE 26 -21.412 6.021 -2.085 313 HD1 PHE 26 1HD PHE 26 -21.650 5.487 -4.399 314 HD2 PHE 26 2HD PHE 26 -24.163 3.660 -1.501 315 HE1 PHE 26 1HE PHE 26 -23.113 4.660 -6.195 316 HE2 PHE 26 2HE PHE 26 -25.638 2.834 -3.290 317 HZ PHE 26 HZ PHE 26 -25.110 3.334 -5.642 318 QB PHE 26 QB PHE 26 -21.956 5.684 -1.479 319 QD PHE 26 QD PHE 26 -22.906 4.573 -2.950 320 QE PHE 26 QE PHE 26 -24.375 3.747 -4.742 321 QR PHE 26 QR PHE 26 -23.935 3.995 -4.205 322 H THR 27 H THR 27 -19.607 6.241 -1.849 323 HA THR 27 HA THR 27 -17.236 5.525 -0.444 324 HB THR 27 HB THR 27 -17.718 8.188 -1.728 325 HG1 THR 27 1HG THR 27 -18.241 7.078 -3.443 326 1HG2 THR 27 1HG2 THR 27 -15.361 6.301 -1.570 327 2HG2 THR 27 3HG2 THR 27 -15.371 7.890 -2.333 328 3HG2 THR 27 2HG2 THR 27 -15.597 7.752 -0.585 329 MG THR 27 QG2 THR 27 -15.443 7.314 -1.496 330 H HIS 28 H HIS 28 -18.597 5.513 1.524 331 HA HIS 28 HA HIS 28 -18.666 8.103 2.855 332 1HB HIS 28 2HB HIS 28 -19.527 6.751 4.856 333 2HB HIS 28 1HB HIS 28 -20.574 6.793 3.449 334 HD1 HIS 28 1HD HIS 28 -21.608 4.564 3.078 335 HD2 HIS 28 2HD HIS 28 -17.774 4.269 4.607 336 HE1 HIS 28 1HE HIS 28 -21.165 2.114 3.363 337 QB HIS 28 QB HIS 28 -20.050 6.772 4.152 338 H HIS 29 H HIS 29 -17.847 7.653 5.426 339 HA HIS 29 HA HIS 29 -15.147 8.136 5.166 340 1HB HIS 29 2HB HIS 29 -16.427 8.913 7.100 341 2HB HIS 29 1HB HIS 29 -16.595 7.255 7.667 342 HD1 HIS 29 1HD HIS 29 -14.013 9.988 7.322 343 HD2 HIS 29 2HD HIS 29 -14.441 6.248 9.064 344 HE1 HIS 29 1HE HIS 29 -12.008 9.674 8.808 345 QB HIS 29 QB HIS 29 -16.511 8.084 7.384 346 H LYS 30 H LYS 30 -16.653 5.039 6.000 347 HA LYS 30 HA LYS 30 -14.341 3.591 6.613 348 1HB LYS 30 2HB LYS 30 -16.789 2.584 5.121 349 2HB LYS 30 1HB LYS 30 -15.526 1.569 5.768 350 1HG LYS 30 2HG LYS 30 -17.303 3.346 7.429 351 2HG LYS 30 1HG LYS 30 -17.554 1.623 7.164 352 1HD LYS 30 2HD LYS 30 -15.284 1.233 8.156 353 2HD LYS 30 1HD LYS 30 -15.236 2.947 8.567 354 1HE LYS 30 2HE LYS 30 -17.336 0.988 9.500 355 2HE LYS 30 1HE LYS 30 -15.964 1.543 10.452 356 1HZ LYS 30 1HZ LYS 30 -18.135 3.309 9.417 357 2HZ LYS 30 3HZ LYS 30 -18.014 2.697 10.980 358 3HZ LYS 30 2HZ LYS 30 -16.858 3.769 10.422 359 QB LYS 30 QB LYS 30 -16.158 2.077 5.444 360 QD LYS 30 QD LYS 30 -15.260 2.090 8.361 361 QG LYS 30 QG LYS 30 -17.428 2.485 7.296 362 QE LYS 30 QE LYS 30 -16.650 1.266 9.976 363 QZ LYS 30 QZ LYS 30 -17.669 3.258 10.273 364 H VAL 31 H VAL 31 -15.881 4.033 3.461 365 HA VAL 31 HA VAL 31 -13.947 2.600 1.998 366 HB VAL 31 HB VAL 31 -15.915 4.695 1.031 367 1HG1 VAL 31 1HG1 VAL 31 -14.370 2.626 -0.542 368 2HG1 VAL 31 3HG1 VAL 31 -15.631 3.675 -1.194 369 3HG1 VAL 31 2HG1 VAL 31 -14.117 4.369 -0.602 370 1HG2 VAL 31 3HG2 VAL 31 -16.103 1.682 1.089 371 2HG2 VAL 31 2HG2 VAL 31 -17.004 2.805 2.106 372 3HG2 VAL 31 1HG2 VAL 31 -17.292 2.766 0.370 373 MG1 VAL 31 QG1 VAL 31 -14.706 3.557 -0.779 374 MG2 VAL 31 QG2 VAL 31 -16.800 2.418 1.188 375 QG VAL 31 QQG VAL 31 -15.753 2.987 0.205 376 H ILE 32 H ILE 32 -14.235 5.990 2.828 377 HA ILE 32 HA ILE 32 -12.159 7.092 1.263 378 HB ILE 32 HB ILE 32 -12.864 7.840 4.119 379 1HG1 ILE 32 2HG1 ILE 32 -14.843 7.876 2.687 380 2HG1 ILE 32 1HG1 ILE 32 -14.356 9.470 3.243 381 1HG2 ILE 32 2HG2 ILE 32 -10.773 8.828 3.414 382 2HG2 ILE 32 1HG2 ILE 32 -11.534 9.472 1.962 383 3HG2 ILE 32 3HG2 ILE 32 -12.013 10.073 3.551 384 1HD1 ILE 32 1HD1 ILE 32 -13.406 9.931 1.025 385 2HD1 ILE 32 3HD1 ILE 32 -13.864 8.310 0.496 386 3HD1 ILE 32 2HD1 ILE 32 -15.111 9.487 0.911 387 MG ILE 32 QG2 ILE 32 -11.440 9.458 2.976 388 MD ILE 32 QD1 ILE 32 -14.127 9.243 0.811 389 QG ILE 32 QG1 ILE 32 -14.600 8.673 2.965 390 H SER 33 H SER 33 -12.149 5.847 4.505 391 HA SER 33 HA SER 33 -9.429 6.008 5.077 392 1HB SER 33 2HB SER 33 -11.415 3.986 6.132 393 2HB SER 33 1HB SER 33 -9.870 4.411 6.879 394 HG SER 33 HG SER 33 -12.195 5.999 6.569 395 QB SER 33 QB SER 33 -10.643 4.199 6.505 396 H PHE 34 H PHE 34 -11.218 3.323 3.521 397 HA PHE 34 HA PHE 34 -8.971 1.572 3.432 398 1HB PHE 34 2HB PHE 34 -11.374 1.549 1.578 399 2HB PHE 34 1HB PHE 34 -10.236 0.236 1.837 400 HD1 PHE 34 1HD PHE 34 -10.055 0.233 4.814 401 HD2 PHE 34 2HD PHE 34 -13.401 0.667 2.214 402 HE1 PHE 34 1HE PHE 34 -11.531 -0.693 6.552 403 HE2 PHE 34 2HE PHE 34 -14.876 -0.237 3.941 404 HZ PHE 34 HZ PHE 34 -13.944 -0.926 6.123 405 QB PHE 34 QB PHE 34 -10.805 0.893 1.708 406 QD PHE 34 QD PHE 34 -11.728 0.450 3.514 407 QE PHE 34 QE PHE 34 -13.203 -0.465 5.246 408 QR PHE 34 QR PHE 34 -12.762 -0.191 4.729 409 H SER 35 H SER 35 -10.158 4.085 1.358 410 HA SER 35 HA SER 35 -8.479 3.495 -0.869 411 1HB SER 35 2HB SER 35 -9.877 6.089 -0.141 412 2HB SER 35 1HB SER 35 -9.221 5.660 -1.722 413 HG SER 35 HG SER 35 -11.377 4.401 -0.351 414 QB SER 35 QB SER 35 -9.549 5.874 -0.931 415 H GLN 36 H GLN 36 -8.246 5.709 1.886 416 HA GLN 36 HA GLN 36 -5.781 6.852 1.101 417 1HB GLN 36 2HB GLN 36 -7.050 6.622 3.823 418 2HB GLN 36 1HB GLN 36 -5.561 7.503 3.525 419 1HG GLN 36 2HG GLN 36 -6.763 8.981 1.977 420 2HG GLN 36 1HG GLN 36 -8.255 8.106 2.318 421 1HE2 GLN 36 1HE2 GLN 36 -9.220 9.965 3.124 422 2HE2 GLN 36 2HE2 GLN 36 -8.835 10.575 4.689 423 QB GLN 36 QB GLN 36 -6.306 7.062 3.674 424 QG GLN 36 QG GLN 36 -7.509 8.543 2.147 425 QE GLN 36 QE2 GLN 36 -9.028 10.270 3.906 426 H GLU 37 H GLU 37 -6.578 3.951 2.870 427 HA GLU 37 HA GLU 37 -4.059 3.240 3.858 428 1HB GLU 37 2HB GLU 37 -6.151 2.058 4.405 429 2HB GLU 37 1HB GLU 37 -6.272 1.494 2.749 430 1HG GLU 37 2HG GLU 37 -5.467 -0.323 3.999 431 2HG GLU 37 1HG GLU 37 -4.086 0.322 3.116 432 QB GLU 37 QB GLU 37 -6.211 1.776 3.577 433 QG GLU 37 QG GLU 37 -4.777 -0.001 3.558 434 H LEU 38 H LEU 38 -5.563 2.894 0.699 435 HA LEU 38 HA LEU 38 -3.549 1.240 -0.385 436 1HB LEU 38 2HB LEU 38 -5.956 1.412 -1.162 437 2HB LEU 38 1HB LEU 38 -5.543 2.946 -1.889 438 HG LEU 38 HG LEU 38 -5.680 0.947 -3.446 439 1HD1 LEU 38 3HD1 LEU 38 -3.063 2.445 -3.402 440 2HD1 LEU 38 2HD1 LEU 38 -3.720 1.558 -4.775 441 3HD1 LEU 38 1HD1 LEU 38 -4.556 2.987 -4.166 442 1HD2 LEU 38 3HD2 LEU 38 -4.607 -0.666 -1.982 443 2HD2 LEU 38 2HD2 LEU 38 -3.752 -0.535 -3.518 444 3HD2 LEU 38 1HD2 LEU 38 -3.094 0.234 -2.082 445 MD1 LEU 38 QD1 LEU 38 -3.780 2.330 -4.114 446 MD2 LEU 38 QD2 LEU 38 -3.818 -0.322 -2.528 447 QB LEU 38 QB LEU 38 -5.749 2.179 -1.525 448 QD LEU 38 QQD LEU 38 -3.799 1.004 -3.321 449 H ASP 39 H ASP 39 -4.225 4.713 -0.540 450 HA ASP 39 HA ASP 39 -2.037 5.370 -2.200 451 1HB ASP 39 2HB ASP 39 -3.526 7.067 -0.183 452 2HB ASP 39 1HB ASP 39 -2.221 7.706 -1.172 453 QB ASP 39 QB ASP 39 -2.874 7.386 -0.677 454 H ARG 40 H ARG 40 -2.313 4.938 1.223 455 HA ARG 40 HA ARG 40 0.206 5.821 2.062 456 1HB ARG 40 2HB ARG 40 -1.592 5.303 3.606 457 2HB ARG 40 1HB ARG 40 -1.561 3.622 3.114 458 1HG ARG 40 2HG ARG 40 0.718 3.427 4.042 459 2HG ARG 40 1HG ARG 40 0.591 5.097 4.611 460 1HD ARG 40 2HD ARG 40 -1.252 2.841 5.371 461 2HD ARG 40 1HD ARG 40 0.047 3.486 6.375 462 HE ARG 40 HE ARG 40 -1.277 5.674 6.028 463 1HH1 ARG 40 1HH1 ARG 40 -2.824 2.496 6.338 464 2HH1 ARG 40 2HH1 ARG 40 -4.078 3.053 7.328 465 1HH2 ARG 40 1HH2 ARG 40 -3.083 6.442 7.276 466 2HH2 ARG 40 2HH2 ARG 40 -4.246 5.349 7.863 467 QB ARG 40 QB ARG 40 -1.577 4.462 3.360 468 QG ARG 40 QG ARG 40 0.654 4.262 4.326 469 QD ARG 40 QD ARG 40 -0.602 3.164 5.873 470 QH1 ARG 40 QH1 ARG 40 -3.451 2.775 6.833 471 QH2 ARG 40 QH2 ARG 40 -3.665 5.896 7.570 472 H LEU 41 H LEU 41 -0.878 2.696 0.817 473 HA LEU 41 HA LEU 41 1.567 1.328 1.175 474 1HB LEU 41 2HB LEU 41 -0.607 0.816 -0.851 475 2HB LEU 41 1HB LEU 41 0.679 -0.297 -0.431 476 HG LEU 41 HG LEU 41 -1.485 0.639 1.450 477 1HD1 LEU 41 2HD1 LEU 41 -2.338 -0.800 -0.310 478 2HD1 LEU 41 1HD1 LEU 41 -1.111 -2.011 0.072 479 3HD1 LEU 41 3HD1 LEU 41 -2.342 -1.593 1.268 480 1HD2 LEU 41 1HD2 LEU 41 0.692 -1.423 1.789 481 2HD2 LEU 41 3HD2 LEU 41 0.560 0.117 2.644 482 3HD2 LEU 41 2HD2 LEU 41 -0.639 -1.150 2.905 483 MD1 LEU 41 QD1 LEU 41 -1.930 -1.468 0.343 484 MD2 LEU 41 QD2 LEU 41 0.205 -0.819 2.446 485 QB LEU 41 QB LEU 41 0.036 0.259 -0.641 486 QD LEU 41 QQD LEU 41 -0.863 -1.143 1.395 487 H LEU 42 H LEU 42 0.290 3.287 -1.407 488 HA LEU 42 HA LEU 42 2.359 2.839 -3.262 489 1HB LEU 42 2HB LEU 42 0.249 3.889 -3.901 490 2HB LEU 42 1HB LEU 42 0.584 5.255 -2.862 491 HG LEU 42 HG LEU 42 2.502 5.852 -4.314 492 1HD1 LEU 42 2HD1 LEU 42 1.482 3.621 -6.060 493 2HD1 LEU 42 1HD1 LEU 42 2.686 4.827 -6.527 494 3HD1 LEU 42 3HD1 LEU 42 3.034 3.689 -5.229 495 1HD2 LEU 42 3HD2 LEU 42 -0.153 5.610 -5.718 496 2HD2 LEU 42 2HD2 LEU 42 0.339 6.916 -4.633 497 3HD2 LEU 42 1HD2 LEU 42 1.162 6.693 -6.174 498 MD1 LEU 42 QD1 LEU 42 2.401 4.046 -5.939 499 MD2 LEU 42 QD2 LEU 42 0.449 6.406 -5.508 500 QB LEU 42 QB LEU 42 0.416 4.572 -3.382 501 QD LEU 42 QQD LEU 42 1.425 5.226 -5.723 502 H ASN 43 H ASN 43 1.860 5.195 -0.688 503 HA ASN 43 HA ASN 43 4.211 6.721 -0.952 504 1HB ASN 43 2HB ASN 43 2.649 6.078 1.566 505 2HB ASN 43 1HB ASN 43 3.909 7.294 1.461 506 1HD2 ASN 43 1HD2 ASN 43 3.044 8.274 -1.197 507 2HD2 ASN 43 2HD2 ASN 43 1.581 9.123 -0.880 508 QB ASN 43 QB ASN 43 3.279 6.686 1.514 509 QD ASN 43 QD2 ASN 43 2.312 8.698 -1.039 510 H LEU 44 H LEU 44 3.625 3.627 0.520 511 HA LEU 44 HA LEU 44 6.087 3.417 1.891 512 1HB LEU 44 2HB LEU 44 4.175 1.317 0.930 513 2HB LEU 44 1HB LEU 44 5.582 0.929 1.895 514 HG LEU 44 HG LEU 44 3.203 2.591 2.737 515 1HD1 LEU 44 2HD1 LEU 44 2.778 0.191 2.619 516 2HD1 LEU 44 1HD1 LEU 44 4.170 -0.112 3.648 517 3HD1 LEU 44 3HD1 LEU 44 2.779 0.761 4.290 518 1HD2 LEU 44 1HD2 LEU 44 5.686 1.849 4.294 519 2HD2 LEU 44 3HD2 LEU 44 5.214 3.474 3.789 520 3HD2 LEU 44 2HD2 LEU 44 4.243 2.596 4.968 521 MD1 LEU 44 QD1 LEU 44 3.242 0.280 3.519 522 MD2 LEU 44 QD2 LEU 44 5.048 2.640 4.350 523 QB LEU 44 QB LEU 44 4.878 1.123 1.413 524 QD LEU 44 QQD LEU 44 4.145 1.460 3.935 525 H LEU 45 H LEU 45 5.166 2.695 -1.410 526 HA LEU 45 HA LEU 45 7.623 1.406 -2.138 527 1HB LEU 45 2HB LEU 45 5.624 2.925 -3.821 528 2HB LEU 45 1HB LEU 45 6.975 2.028 -4.472 529 HG LEU 45 HG LEU 45 4.673 0.813 -2.941 530 1HD1 LEU 45 1HD1 LEU 45 5.308 0.861 -5.891 531 2HD1 LEU 45 3HD1 LEU 45 4.005 -0.053 -5.136 532 3HD1 LEU 45 2HD1 LEU 45 3.977 1.711 -5.101 533 1HD2 LEU 45 1HD2 LEU 45 6.796 -0.441 -2.758 534 2HD2 LEU 45 3HD2 LEU 45 5.589 -1.300 -3.715 535 3HD2 LEU 45 2HD2 LEU 45 6.910 -0.457 -4.516 536 MD1 LEU 45 QD1 LEU 45 4.430 0.839 -5.376 537 MD2 LEU 45 QD2 LEU 45 6.432 -0.733 -3.663 538 QB LEU 45 QB LEU 45 6.300 2.477 -4.146 539 QD LEU 45 QQD LEU 45 5.431 0.053 -4.519 540 H ILE 46 H ILE 46 6.446 4.658 -2.045 541 HA ILE 46 HA ILE 46 8.645 5.899 -3.313 542 HB ILE 46 HB ILE 46 6.549 7.041 -1.436 543 1HG1 ILE 46 2HG1 ILE 46 6.719 7.075 -4.461 544 2HG1 ILE 46 1HG1 ILE 46 5.670 6.028 -3.518 545 1HG2 ILE 46 3HG2 ILE 46 8.517 8.453 -1.510 546 2HG2 ILE 46 2HG2 ILE 46 8.452 8.496 -3.275 547 3HG2 ILE 46 1HG2 ILE 46 7.160 9.241 -2.323 548 1HD1 ILE 46 2HD1 ILE 46 5.543 9.036 -3.613 549 2HD1 ILE 46 1HD1 ILE 46 4.458 7.921 -4.447 550 3HD1 ILE 46 3HD1 ILE 46 4.470 7.987 -2.686 551 MG ILE 46 QG2 ILE 46 8.043 8.730 -2.369 552 MD ILE 46 QD1 ILE 46 4.824 8.315 -3.582 553 QG ILE 46 QG1 ILE 46 6.194 6.552 -3.989 554 H GLU 47 H GLU 47 8.028 4.829 -0.111 555 HA GLU 47 HA GLU 47 9.808 6.245 1.478 556 1HB GLU 47 2HB GLU 47 8.176 4.701 2.318 557 2HB GLU 47 1HB GLU 47 8.995 3.346 1.562 558 1HG GLU 47 2HG GLU 47 9.480 3.253 3.875 559 2HG GLU 47 1HG GLU 47 10.943 3.808 3.077 560 QB GLU 47 QB GLU 47 8.586 4.024 1.940 561 QG GLU 47 QG GLU 47 10.211 3.531 3.476 562 H LEU 48 H LEU 48 10.440 3.523 -0.695 563 HA LEU 48 HA LEU 48 13.211 3.348 0.064 564 1HB LEU 48 2HB LEU 48 11.763 2.193 -2.328 565 2HB LEU 48 1HB LEU 48 13.454 1.921 -1.991 566 HG LEU 48 HG LEU 48 12.344 -0.020 -1.345 567 1HD1 LEU 48 1HD1 LEU 48 14.013 0.646 0.231 568 2HD1 LEU 48 3HD1 LEU 48 12.819 1.557 1.156 569 3HD1 LEU 48 2HD1 LEU 48 12.696 -0.199 1.043 570 1HD2 LEU 48 3HD2 LEU 48 10.057 0.797 -1.307 571 2HD2 LEU 48 2HD2 LEU 48 10.421 -0.109 0.160 572 3HD2 LEU 48 1HD2 LEU 48 10.374 1.658 0.201 573 MD1 LEU 48 QD1 LEU 48 13.176 0.668 0.810 574 MD2 LEU 48 QD2 LEU 48 10.284 0.782 -0.315 575 QB LEU 48 QB LEU 48 12.608 2.057 -2.160 576 QD LEU 48 QQD LEU 48 11.730 0.725 0.247 577 H LYS 49 H LYS 49 11.393 4.648 -2.599 578 HA LYS 49 HA LYS 49 13.620 5.457 -4.109 579 1HB LYS 49 2HB LYS 49 10.714 6.202 -4.347 580 2HB LYS 49 1HB LYS 49 11.944 6.742 -5.488 581 1HG LYS 49 2HG LYS 49 12.483 4.390 -5.997 582 2HG LYS 49 1HG LYS 49 11.223 3.874 -4.882 583 1HD LYS 49 2HD LYS 49 9.521 4.863 -6.260 584 2HD LYS 49 1HD LYS 49 10.729 5.602 -7.307 585 1HE LYS 49 2HE LYS 49 9.820 3.633 -8.400 586 2HE LYS 49 1HE LYS 49 11.499 3.338 -7.973 587 1HZ LYS 49 3HZ LYS 49 10.719 2.062 -6.035 588 2HZ LYS 49 2HZ LYS 49 9.116 2.352 -6.494 589 3HZ LYS 49 1HZ LYS 49 10.104 1.430 -7.471 590 QB LYS 49 QB LYS 49 11.329 6.472 -4.917 591 QD LYS 49 QD LYS 49 10.125 5.233 -6.784 592 QG LYS 49 QG LYS 49 11.853 4.132 -5.440 593 QE LYS 49 QE LYS 49 10.659 3.485 -8.186 594 QZ LYS 49 QZ LYS 49 9.980 1.948 -6.667 595 H THR 50 H THR 50 11.908 7.109 -1.580 596 HA THR 50 HA THR 50 12.948 9.668 -2.197 597 HB THR 50 HB THR 50 10.964 9.323 -0.711 598 HG1 THR 50 1HG THR 50 12.193 11.280 -0.598 599 1HG2 THR 50 1HG2 THR 50 11.754 7.422 0.601 600 2HG2 THR 50 3HG2 THR 50 12.999 8.432 1.334 601 3HG2 THR 50 2HG2 THR 50 11.298 8.755 1.660 602 MG THR 50 QG2 THR 50 12.017 8.203 1.198 603 H LYS 51 H LYS 51 14.276 6.857 -0.621 604 HA LYS 51 HA LYS 51 16.497 8.292 0.539 605 1HB LYS 51 2HB LYS 51 15.955 5.317 0.360 606 2HB LYS 51 1HB LYS 51 17.141 6.106 1.392 607 1HG LYS 51 2HG LYS 51 15.376 7.158 2.676 608 2HG LYS 51 1HG LYS 51 14.167 6.480 1.589 609 1HD LYS 51 2HD LYS 51 14.872 4.217 2.260 610 2HD LYS 51 1HD LYS 51 16.000 4.940 3.419 611 1HE LYS 51 2HE LYS 51 14.141 6.041 4.535 612 2HE LYS 51 1HE LYS 51 13.016 5.345 3.376 613 1HZ LYS 51 1HZ LYS 51 13.621 3.123 4.225 614 2HZ LYS 51 3HZ LYS 51 14.658 3.851 5.348 615 3HZ LYS 51 2HZ LYS 51 13.017 4.128 5.428 616 QB LYS 51 QB LYS 51 16.548 5.711 0.876 617 QD LYS 51 QD LYS 51 15.436 4.578 2.839 618 QG LYS 51 QG LYS 51 14.771 6.819 2.133 619 QE LYS 51 QE LYS 51 13.579 5.693 3.956 620 QZ LYS 51 QZ LYS 51 13.765 3.700 5.000 621 H LYS 52 H LYS 52 15.553 6.418 -2.185 622 HA LYS 52 HA LYS 52 16.357 5.838 -4.168 623 1HB LYS 52 2HB LYS 52 17.795 7.307 -5.386 624 2HB LYS 52 1HB LYS 52 16.677 8.240 -4.434 625 1HG LYS 52 2HG LYS 52 18.462 8.707 -2.806 626 2HG LYS 52 1HG LYS 52 19.592 7.807 -3.823 627 1HD LYS 52 2HD LYS 52 19.166 9.327 -5.664 628 2HD LYS 52 1HD LYS 52 18.014 10.220 -4.673 629 1HE LYS 52 2HE LYS 52 19.835 10.757 -3.106 630 2HE LYS 52 1HE LYS 52 20.961 9.907 -4.159 631 1HZ LYS 52 1HZ LYS 52 19.336 12.241 -4.961 632 2HZ LYS 52 3HZ LYS 52 20.968 12.304 -4.534 633 3HZ LYS 52 2HZ LYS 52 20.468 11.448 -5.914 634 QB LYS 52 QB LYS 52 17.236 7.774 -4.910 635 QD LYS 52 QD LYS 52 18.590 9.773 -5.169 636 QG LYS 52 QG LYS 52 19.027 8.257 -3.314 637 QE LYS 52 QE LYS 52 20.398 10.332 -3.632 638 QZ LYS 52 QZ LYS 52 20.257 11.997 -5.136 639 H LYS 53 H LYS 53 18.845 5.995 -1.916 640 HA LYS 53 HA LYS 53 20.660 4.266 -3.242 641 1HB LYS 53 2HB LYS 53 21.719 4.066 -1.027 642 2HB LYS 53 1HB LYS 53 21.399 5.733 -1.479 643 1HG LYS 53 2HG LYS 53 19.425 5.772 -0.011 644 2HG LYS 53 1HG LYS 53 19.703 4.077 0.342 645 1HD LYS 53 2HD LYS 53 21.832 4.565 1.366 646 2HD LYS 53 1HD LYS 53 21.650 6.283 0.994 647 1HE LYS 53 2HE LYS 53 19.707 6.395 2.446 648 2HE LYS 53 1HE LYS 53 19.810 4.666 2.756 649 1HZ LYS 53 1HZ LYS 53 21.883 6.661 3.493 650 2HZ LYS 53 3HZ LYS 53 20.787 5.942 4.562 651 3HZ LYS 53 2HZ LYS 53 21.936 5.001 3.804 652 QB LYS 53 QB LYS 53 21.559 4.900 -1.253 653 QD LYS 53 QD LYS 53 21.741 5.424 1.180 654 QG LYS 53 QG LYS 53 19.564 4.924 0.166 655 QE LYS 53 QE LYS 53 19.758 5.531 2.601 656 QZ LYS 53 QZ LYS 53 21.535 5.868 3.953 657 H ARG 54 H ARG 54 17.833 3.673 -1.302 658 HA ARG 54 HA ARG 54 18.627 0.903 -0.861 659 1HB ARG 54 2HB ARG 54 16.255 2.384 0.273 660 2HB ARG 54 1HB ARG 54 16.767 0.760 0.711 661 1HG ARG 54 2HG ARG 54 18.923 1.730 1.517 662 2HG ARG 54 1HG ARG 54 18.230 3.321 1.181 663 1HD ARG 54 2HD ARG 54 18.024 2.790 3.515 664 2HD ARG 54 1HD ARG 54 16.445 2.902 2.743 665 HE ARG 54 HE ARG 54 16.240 0.564 2.855 666 1HH1 ARG 54 1HH1 ARG 54 19.139 1.752 4.508 667 2HH1 ARG 54 2HH1 ARG 54 19.230 0.419 5.557 668 1HH2 ARG 54 1HH2 ARG 54 16.350 -1.199 4.297 669 2HH2 ARG 54 2HH2 ARG 54 17.607 -1.317 5.451 670 QB ARG 54 QB ARG 54 16.511 1.572 0.492 671 QG ARG 54 QG ARG 54 18.576 2.525 1.349 672 QD ARG 54 QD ARG 54 17.235 2.846 3.129 673 QH1 ARG 54 QH1 ARG 54 19.184 1.086 5.032 674 QH2 ARG 54 QH2 ARG 54 16.978 -1.258 4.874 675 H TYR 55 H TYR 55 18.363 -0.133 -2.634 676 HA TYR 55 HA TYR 55 17.498 -1.006 -4.468 677 1HB TYR 55 2HB TYR 55 16.649 -2.434 -2.601 678 2HB TYR 55 1HB TYR 55 15.135 -1.539 -2.655 679 HD1 TYR 55 1HD TYR 55 17.406 -3.451 -4.852 680 HD2 TYR 55 2HD TYR 55 13.424 -2.338 -3.983 681 HE1 TYR 55 1HE TYR 55 16.597 -4.960 -6.649 682 HE2 TYR 55 2HE TYR 55 12.598 -3.821 -5.753 683 HH TYR 55 HH TYR 55 13.431 -4.760 -7.796 684 QB TYR 55 QB TYR 55 15.892 -1.986 -2.628 685 QD TYR 55 QD TYR 55 15.415 -2.894 -4.417 686 QE TYR 55 QE TYR 55 14.598 -4.390 -6.201 687 QR TYR 55 QR TYR 55 15.006 -3.642 -5.309 688 H SER 56 H SER 56 17.392 1.374 -5.000 689 HA SER 56 HA SER 56 14.958 1.615 -6.579 690 1HB SER 56 2HB SER 56 16.041 3.933 -4.958 691 2HB SER 56 1HB SER 56 14.659 3.998 -6.052 692 HG SER 56 HG SER 56 14.792 2.253 -3.828 693 QB SER 56 QB SER 56 15.350 3.965 -5.505 694 H LEU 57 H LEU 57 18.191 2.856 -5.907 695 HA LEU 57 HA LEU 57 18.502 3.313 -8.771 696 1HB LEU 57 2HB LEU 57 20.009 4.386 -6.413 697 2HB LEU 57 1HB LEU 57 20.547 4.571 -8.069 698 HG LEU 57 HG LEU 57 17.921 5.603 -7.025 699 1HD1 LEU 57 2HD1 LEU 57 20.574 6.965 -7.442 700 2HD1 LEU 57 1HD1 LEU 57 19.017 7.795 -7.208 701 3HD1 LEU 57 3HD1 LEU 57 19.640 6.748 -5.947 702 1HD2 LEU 57 2HD2 LEU 57 19.390 6.060 -9.623 703 2HD2 LEU 57 1HD2 LEU 57 17.892 5.153 -9.419 704 3HD2 LEU 57 3HD2 LEU 57 17.918 6.887 -9.118 705 MD1 LEU 57 QD1 LEU 57 19.744 7.169 -6.866 706 MD2 LEU 57 QD2 LEU 57 18.400 6.034 -9.387 707 QB LEU 57 QB LEU 57 20.278 4.479 -7.241 708 QD LEU 57 QQD LEU 57 19.072 6.601 -8.126 709 H LEU 58 H LEU 58 18.667 0.763 -7.213 710 HA LEU 58 HA LEU 58 21.432 -0.001 -7.811 711 1HB LEU 58 2HB LEU 58 19.136 -1.660 -6.709 712 2HB LEU 58 1HB LEU 58 20.798 -2.191 -6.862 713 HG LEU 58 HG LEU 58 19.780 -0.052 -4.986 714 1HD1 LEU 58 2HD1 LEU 58 19.182 -2.308 -4.302 715 2HD1 LEU 58 1HD1 LEU 58 20.862 -2.812 -4.456 716 3HD1 LEU 58 3HD1 LEU 58 20.405 -1.627 -3.234 717 1HD2 LEU 58 1HD2 LEU 58 22.578 -1.135 -5.354 718 2HD2 LEU 58 3HD2 LEU 58 22.031 0.494 -5.757 719 3HD2 LEU 58 2HD2 LEU 58 22.064 -0.034 -4.076 720 MD1 LEU 58 QD1 LEU 58 20.150 -2.249 -3.997 721 MD2 LEU 58 QD2 LEU 58 22.224 -0.225 -5.063 722 QB LEU 58 QB LEU 58 19.967 -1.926 -6.786 723 QD LEU 58 QQD LEU 58 21.187 -1.237 -4.530 724 H GLU 59 H GLU 59 18.130 -0.333 -8.689 725 HA GLU 59 HA GLU 59 18.851 -1.365 -11.293 726 1HB GLU 59 2HB GLU 59 16.053 -1.509 -10.925 727 2HB GLU 59 1HB GLU 59 17.171 -2.857 -10.976 728 1HG GLU 59 2HG GLU 59 15.756 -3.036 -9.054 729 2HG GLU 59 1HG GLU 59 17.405 -2.729 -8.532 730 QB GLU 59 QB GLU 59 16.612 -2.183 -10.950 731 QG GLU 59 QG GLU 59 16.581 -2.883 -8.793 732 H HIS 60 H HIS 60 16.378 -0.439 -12.429 733 HA HIS 60 HA HIS 60 15.552 1.267 -13.502 734 1HB HIS 60 2HB HIS 60 15.998 2.654 -10.844 735 2HB HIS 60 1HB HIS 60 15.175 3.347 -12.243 736 HD1 HIS 60 1HD HIS 60 14.575 0.961 -9.384 737 HD2 HIS 60 2HD HIS 60 12.703 2.191 -12.901 738 HE1 HIS 60 1HE HIS 60 12.199 0.249 -9.194 739 QB HIS 60 QB HIS 60 15.586 3.000 -11.543 740 H HIS 61 H HIS 61 16.074 3.922 -13.718 741 HA HIS 61 HA HIS 61 17.359 5.381 -14.834 742 1HB HIS 61 2HB HIS 61 18.672 5.409 -12.681 743 2HB HIS 61 1HB HIS 61 19.705 4.145 -13.329 744 HD1 HIS 61 1HD HIS 61 19.566 7.761 -12.973 745 HD2 HIS 61 2HD HIS 61 21.148 5.110 -15.765 746 HE1 HIS 61 1HE HIS 61 21.290 9.041 -14.270 747 QB HIS 61 QB HIS 61 19.189 4.777 -13.005 748 H HIS 62 H HIS 62 16.675 4.117 -16.602 749 HA HIS 62 HA HIS 62 16.955 3.355 -18.695 750 1HB HIS 62 2HB HIS 62 19.879 3.933 -18.189 751 2HB HIS 62 1HB HIS 62 19.245 3.401 -19.737 752 HD1 HIS 62 1HD HIS 62 18.071 5.172 -21.192 753 HD2 HIS 62 2HD HIS 62 19.200 6.565 -17.444 754 HE1 HIS 62 1HE HIS 62 17.819 7.674 -21.277 755 QB HIS 62 QB HIS 62 19.562 3.667 -18.963 756 H HIS 63 H HIS 63 17.510 1.600 -16.189 757 HA HIS 63 HA HIS 63 17.901 -0.810 -17.700 758 1HB HIS 63 2HB HIS 63 20.208 -0.304 -17.356 759 2HB HIS 63 1HB HIS 63 19.941 0.113 -15.676 760 HD1 HIS 63 1HD HIS 63 20.493 -1.702 -14.039 761 HD2 HIS 63 2HD HIS 63 19.848 -3.185 -17.863 762 HE1 HIS 63 1HE HIS 63 21.012 -4.167 -13.928 763 QB HIS 63 QB HIS 63 20.074 -0.095 -16.516 764 H HIS 64 H HIS 64 15.987 -1.530 -17.052 765 HA HIS 64 HA HIS 64 15.791 -2.368 -14.285 766 1HB HIS 64 2HB HIS 64 14.341 -0.347 -14.522 767 2HB HIS 64 1HB HIS 64 13.525 -1.110 -15.881 768 HD1 HIS 64 1HD HIS 64 11.491 -2.486 -15.317 769 HD2 HIS 64 2HD HIS 64 13.883 -1.748 -12.002 770 HE1 HIS 64 1HE HIS 64 10.219 -3.373 -13.330 771 QB HIS 64 QB HIS 64 13.933 -0.728 -15.202 No H/Q in entry = 771 Start of MODEL 18 1 H1 MET 1 2HT MET 1 9.014 -3.564 3.877 2 H2 MET 1 1HT MET 1 9.629 -2.166 4.610 3 H3 MET 1 3HT MET 1 9.042 -2.139 3.046 4 HA MET 1 HA MET 1 11.336 -2.053 2.863 5 1HB MET 1 2HB MET 1 11.358 -4.625 4.469 6 2HB MET 1 1HB MET 1 12.727 -4.025 3.556 7 1HG MET 1 2HG MET 1 12.756 -2.001 4.973 8 2HG MET 1 1HG MET 1 11.411 -2.669 5.897 9 1HE MET 1 3HE MET 1 15.198 -3.097 4.909 10 2HE MET 1 2HE MET 1 15.641 -4.548 5.805 11 3HE MET 1 1HE MET 1 14.530 -4.661 4.441 12 QB MET 1 QB MET 1 12.042 -4.325 4.012 13 QG MET 1 QG MET 1 12.084 -2.335 5.435 14 ME MET 1 QE MET 1 15.123 -4.102 5.052 15 H ASN 2 H ASN 2 9.621 -5.219 2.789 16 HA ASN 2 HA ASN 2 10.884 -5.932 0.336 17 1HB ASN 2 2HB ASN 2 8.448 -7.152 1.652 18 2HB ASN 2 1HB ASN 2 9.326 -7.845 0.294 19 1HD2 ASN 2 1HD2 ASN 2 11.376 -8.737 0.667 20 2HD2 ASN 2 2HD2 ASN 2 11.891 -9.128 2.266 21 QB ASN 2 QB ASN 2 8.887 -7.499 0.973 22 QD ASN 2 QD2 ASN 2 11.633 -8.933 1.466 23 H VAL 3 H VAL 3 10.531 -4.472 -1.162 24 HA VAL 3 HA VAL 3 8.134 -3.182 -1.693 25 HB VAL 3 HB VAL 3 9.102 -2.562 -3.909 26 1HG1 VAL 3 1HG1 VAL 3 10.922 -2.263 -1.521 27 2HG1 VAL 3 3HG1 VAL 3 10.975 -1.270 -2.978 28 3HG1 VAL 3 2HG1 VAL 3 9.556 -1.227 -1.932 29 1HG2 VAL 3 2HG2 VAL 3 10.364 -4.619 -4.364 30 2HG2 VAL 3 1HG2 VAL 3 11.423 -3.203 -4.405 31 3HG2 VAL 3 3HG2 VAL 3 11.425 -4.268 -3.000 32 MG1 VAL 3 QG1 VAL 3 10.484 -1.586 -2.144 33 MG2 VAL 3 QG2 VAL 3 11.070 -4.030 -3.923 34 QG VAL 3 QQG VAL 3 10.777 -2.808 -3.033 35 H THR 4 H THR 4 9.268 -6.275 -2.909 36 HA THR 4 HA THR 4 7.315 -6.403 -4.915 37 HB THR 4 HB THR 4 9.380 -7.831 -4.961 38 HG1 THR 4 1HG THR 4 7.406 -8.354 -6.131 39 1HG2 THR 4 1HG2 THR 4 9.375 -8.532 -2.591 40 2HG2 THR 4 3HG2 THR 4 7.928 -9.491 -2.899 41 3HG2 THR 4 2HG2 THR 4 9.454 -9.914 -3.686 42 MG THR 4 QG2 THR 4 8.919 -9.312 -3.059 43 H LYS 5 H LYS 5 7.310 -7.439 -1.553 44 HA LYS 5 HA LYS 5 4.685 -8.527 -1.789 45 1HB LYS 5 2HB LYS 5 6.534 -8.182 0.535 46 2HB LYS 5 1HB LYS 5 4.845 -8.580 0.805 47 1HG LYS 5 2HG LYS 5 6.779 -10.204 -0.856 48 2HG LYS 5 1HG LYS 5 6.295 -10.572 0.798 49 1HD LYS 5 2HD LYS 5 4.403 -10.467 -1.591 50 2HD LYS 5 1HD LYS 5 5.055 -11.927 -0.864 51 1HE LYS 5 2HE LYS 5 3.915 -11.454 1.225 52 2HE LYS 5 1HE LYS 5 3.342 -9.912 0.596 53 1HZ LYS 5 3HZ LYS 5 2.619 -12.537 -0.582 54 2HZ LYS 5 2HZ LYS 5 1.662 -11.725 0.544 55 3HZ LYS 5 1HZ LYS 5 1.949 -11.046 -0.970 56 QB LYS 5 QB LYS 5 5.689 -8.381 0.670 57 QD LYS 5 QD LYS 5 4.729 -11.197 -1.228 58 QG LYS 5 QG LYS 5 6.537 -10.388 -0.029 59 QE LYS 5 QE LYS 5 3.629 -10.683 0.910 60 QZ LYS 5 QZ LYS 5 2.077 -11.769 -0.336 61 H LEU 6 H LEU 6 6.045 -5.495 -0.959 62 HA LEU 6 HA LEU 6 3.781 -4.372 0.236 63 1HB LEU 6 2HB LEU 6 6.072 -3.361 0.227 64 2HB LEU 6 1HB LEU 6 5.832 -2.991 -1.473 65 HG LEU 6 HG LEU 6 4.081 -1.402 -0.948 66 1HD1 LEU 6 1HD1 LEU 6 4.513 -2.216 1.921 67 2HD1 LEU 6 3HD1 LEU 6 3.496 -0.885 1.374 68 3HD1 LEU 6 2HD1 LEU 6 3.073 -2.547 0.955 69 1HD2 LEU 6 2HD2 LEU 6 6.485 -1.047 0.831 70 2HD2 LEU 6 1HD2 LEU 6 6.393 -0.617 -0.879 71 3HD2 LEU 6 3HD2 LEU 6 5.389 0.229 0.302 72 MD1 LEU 6 QD1 LEU 6 3.694 -1.883 1.416 73 MD2 LEU 6 QD2 LEU 6 6.089 -0.478 0.085 74 QB LEU 6 QB LEU 6 5.952 -3.176 -0.623 75 QD LEU 6 QQD LEU 6 4.892 -1.181 0.751 76 H ASN 7 H ASN 7 4.907 -4.364 -3.137 77 HA ASN 7 HA ASN 7 2.689 -3.056 -4.235 78 1HB ASN 7 2HB ASN 7 4.774 -3.357 -5.485 79 2HB ASN 7 1HB ASN 7 4.539 -5.097 -5.488 80 1HD2 ASN 7 1HD2 ASN 7 1.938 -2.761 -6.126 81 2HD2 ASN 7 2HD2 ASN 7 1.763 -3.198 -7.779 82 QB ASN 7 QB ASN 7 4.656 -4.227 -5.486 83 QD ASN 7 QD2 ASN 7 1.851 -2.980 -6.952 84 H ASP 8 H ASP 8 3.355 -6.429 -3.632 85 HA ASP 8 HA ASP 8 1.078 -7.603 -4.743 86 1HB ASP 8 2HB ASP 8 3.015 -8.911 -4.037 87 2HB ASP 8 1HB ASP 8 2.711 -8.470 -2.364 88 QB ASP 8 QB ASP 8 2.863 -8.690 -3.200 89 H ARG 9 H ARG 9 1.610 -6.403 -1.405 90 HA ARG 9 HA ARG 9 -0.999 -7.162 -0.587 91 1HB ARG 9 2HB ARG 9 -0.576 -6.111 1.520 92 2HB ARG 9 1HB ARG 9 0.942 -6.817 0.994 93 1HG ARG 9 2HG ARG 9 1.749 -4.656 0.337 94 2HG ARG 9 1HG ARG 9 0.204 -3.931 0.774 95 1HD ARG 9 2HD ARG 9 2.099 -5.338 2.661 96 2HD ARG 9 1HD ARG 9 1.826 -3.601 2.526 97 HE ARG 9 HE ARG 9 -0.492 -5.252 3.156 98 1HH1 ARG 9 1HH1 ARG 9 2.006 -3.055 4.429 99 2HH1 ARG 9 2HH1 ARG 9 1.199 -2.788 5.897 100 1HH2 ARG 9 1HH2 ARG 9 -1.580 -4.877 5.176 101 2HH2 ARG 9 2HH2 ARG 9 -0.913 -3.816 6.328 102 QB ARG 9 QB ARG 9 0.183 -6.464 1.257 103 QG ARG 9 QG ARG 9 0.977 -4.294 0.556 104 QD ARG 9 QD ARG 9 1.962 -4.469 2.593 105 QH1 ARG 9 QH1 ARG 9 1.602 -2.921 5.163 106 QH2 ARG 9 QH2 ARG 9 -1.247 -4.346 5.752 107 H ILE 10 H ILE 10 0.268 -4.361 -2.116 108 HA ILE 10 HA ILE 10 -1.906 -2.614 -1.702 109 HB ILE 10 HB ILE 10 0.117 -2.795 -3.946 110 1HG1 ILE 10 2HG1 ILE 10 -0.225 -0.824 -1.697 111 2HG1 ILE 10 1HG1 ILE 10 0.928 -2.155 -1.718 112 1HG2 ILE 10 3HG2 ILE 10 -1.897 -1.768 -4.886 113 2HG2 ILE 10 2HG2 ILE 10 -1.936 -0.613 -3.555 114 3HG2 ILE 10 1HG2 ILE 10 -0.606 -0.576 -4.711 115 1HD1 ILE 10 1HD1 ILE 10 0.876 0.180 -3.597 116 2HD1 ILE 10 3HD1 ILE 10 1.988 -0.042 -2.250 117 3HD1 ILE 10 2HD1 ILE 10 2.044 -1.142 -3.625 118 MG ILE 10 QG2 ILE 10 -1.480 -0.986 -4.384 119 MD ILE 10 QD1 ILE 10 1.636 -0.335 -3.157 120 QG ILE 10 QG1 ILE 10 0.352 -1.490 -1.707 121 H GLU 11 H GLU 11 -1.265 -5.046 -4.161 122 HA GLU 11 HA GLU 11 -3.556 -4.613 -5.726 123 1HB GLU 11 2HB GLU 11 -1.568 -6.006 -6.351 124 2HB GLU 11 1HB GLU 11 -2.134 -7.224 -5.227 125 1HG GLU 11 2HG GLU 11 -4.186 -7.474 -6.515 126 2HG GLU 11 1HG GLU 11 -3.611 -6.258 -7.654 127 QB GLU 11 QB GLU 11 -1.851 -6.615 -5.789 128 QG GLU 11 QG GLU 11 -3.899 -6.866 -7.084 129 H ALA 12 H ALA 12 -2.928 -6.539 -2.891 130 HA ALA 12 HA ALA 12 -5.410 -7.860 -2.710 131 1HB ALA 12 1HB ALA 12 -3.400 -8.629 -1.559 132 2HB ALA 12 2HB ALA 12 -4.715 -8.356 -0.406 133 3HB ALA 12 3HB ALA 12 -3.414 -7.179 -0.561 134 MB ALA 12 QB ALA 12 -3.843 -8.054 -0.842 135 H LYS 13 H LYS 13 -4.359 -4.675 -1.800 136 HA LYS 13 HA LYS 13 -6.516 -4.110 0.013 137 1HB LYS 13 2HB LYS 13 -4.610 -2.292 -1.463 138 2HB LYS 13 1HB LYS 13 -5.814 -1.688 -0.330 139 1HG LYS 13 2HG LYS 13 -3.560 -3.583 0.317 140 2HG LYS 13 1HG LYS 13 -3.550 -1.850 0.626 141 1HD LYS 13 2HD LYS 13 -5.594 -3.749 1.794 142 2HD LYS 13 1HD LYS 13 -4.106 -3.282 2.604 143 1HE LYS 13 2HE LYS 13 -4.802 -0.952 2.604 144 2HE LYS 13 1HE LYS 13 -6.261 -1.366 1.702 145 1HZ LYS 13 3HZ LYS 13 -5.664 -2.615 4.284 146 2HZ LYS 13 2HZ LYS 13 -6.434 -1.129 4.263 147 3HZ LYS 13 1HZ LYS 13 -7.137 -2.503 3.500 148 QB LYS 13 QB LYS 13 -5.212 -1.990 -0.896 149 QD LYS 13 QD LYS 13 -4.850 -3.515 2.199 150 QG LYS 13 QG LYS 13 -3.555 -2.717 0.472 151 QE LYS 13 QE LYS 13 -5.531 -1.159 2.153 152 QZ LYS 13 QZ LYS 13 -6.412 -2.083 4.016 153 H LYS 14 H LYS 14 -5.847 -3.614 -3.354 154 HA LYS 14 HA LYS 14 -8.091 -2.117 -4.050 155 1HB LYS 14 2HB LYS 14 -6.513 -4.139 -5.635 156 2HB LYS 14 1HB LYS 14 -7.715 -3.059 -6.334 157 1HG LYS 14 2HG LYS 14 -6.414 -1.144 -5.698 158 2HG LYS 14 1HG LYS 14 -5.273 -2.173 -4.845 159 1HD LYS 14 2HD LYS 14 -4.539 -3.178 -6.818 160 2HD LYS 14 1HD LYS 14 -5.837 -2.450 -7.780 161 1HE LYS 14 2HE LYS 14 -3.660 -0.936 -6.345 162 2HE LYS 14 1HE LYS 14 -3.648 -1.311 -8.072 163 1HZ LYS 14 1HZ LYS 14 -5.751 0.335 -6.723 164 2HZ LYS 14 3HZ LYS 14 -4.467 0.957 -7.608 165 3HZ LYS 14 2HZ LYS 14 -5.622 0.025 -8.360 166 QB LYS 14 QB LYS 14 -7.114 -3.599 -5.984 167 QD LYS 14 QD LYS 14 -5.188 -2.814 -7.299 168 QG LYS 14 QG LYS 14 -5.844 -1.659 -5.271 169 QE LYS 14 QE LYS 14 -3.654 -1.123 -7.209 170 QZ LYS 14 QZ LYS 14 -5.280 0.439 -7.564 171 H LYS 15 H LYS 15 -7.628 -5.598 -3.834 172 HA LYS 15 HA LYS 15 -10.197 -6.335 -4.816 173 1HB LYS 15 2HB LYS 15 -8.458 -7.915 -2.929 174 2HB LYS 15 1HB LYS 15 -9.718 -8.547 -3.972 175 1HG LYS 15 2HG LYS 15 -7.071 -7.374 -4.798 176 2HG LYS 15 1HG LYS 15 -7.591 -9.050 -4.920 177 1HD LYS 15 2HD LYS 15 -8.792 -6.710 -6.413 178 2HD LYS 15 1HD LYS 15 -7.672 -7.875 -7.098 179 1HE LYS 15 2HE LYS 15 -10.426 -8.503 -6.022 180 2HE LYS 15 1HE LYS 15 -10.005 -8.333 -7.719 181 1HZ LYS 15 3HZ LYS 15 -8.520 -10.246 -7.497 182 2HZ LYS 15 2HZ LYS 15 -8.947 -10.411 -5.873 183 3HZ LYS 15 1HZ LYS 15 -10.096 -10.632 -7.058 184 QB LYS 15 QB LYS 15 -9.088 -8.231 -3.450 185 QD LYS 15 QD LYS 15 -8.232 -7.293 -6.755 186 QG LYS 15 QG LYS 15 -7.331 -8.212 -4.859 187 QE LYS 15 QE LYS 15 -10.215 -8.418 -6.871 188 QZ LYS 15 QZ LYS 15 -9.188 -10.430 -6.809 189 H GLU 16 H GLU 16 -9.038 -5.339 -1.795 190 HA GLU 16 HA GLU 16 -11.167 -6.293 -0.144 191 1HB GLU 16 2HB GLU 16 -8.945 -5.837 0.789 192 2HB GLU 16 1HB GLU 16 -9.028 -4.177 0.246 193 1HG GLU 16 2HG GLU 16 -10.753 -3.702 1.870 194 2HG GLU 16 1HG GLU 16 -10.791 -5.400 2.354 195 QB GLU 16 QB GLU 16 -8.986 -5.007 0.517 196 QG GLU 16 QG GLU 16 -10.772 -4.551 2.112 197 H LEU 17 H LEU 17 -10.177 -3.231 -1.529 198 HA LEU 17 HA LEU 17 -12.383 -1.706 -0.824 199 1HB LEU 17 2HB LEU 17 -10.196 -1.505 -2.756 200 2HB LEU 17 1HB LEU 17 -11.595 -0.548 -3.142 201 HG LEU 17 HG LEU 17 -9.998 0.826 -1.977 202 1HD1 LEU 17 3HD1 LEU 17 -12.333 1.248 -1.443 203 2HD1 LEU 17 2HD1 LEU 17 -12.231 0.140 -0.075 204 3HD1 LEU 17 1HD1 LEU 17 -11.277 1.614 -0.080 205 1HD2 LEU 17 1HD2 LEU 17 -8.719 -0.920 -0.856 206 2HD2 LEU 17 3HD2 LEU 17 -9.213 0.329 0.285 207 3HD2 LEU 17 2HD2 LEU 17 -10.068 -1.214 0.242 208 MD1 LEU 17 QD1 LEU 17 -11.947 1.001 -0.533 209 MD2 LEU 17 QD2 LEU 17 -9.333 -0.602 -0.109 210 QB LEU 17 QB LEU 17 -10.895 -1.027 -2.949 211 QD LEU 17 QQD LEU 17 -10.640 0.199 -0.321 212 H ILE 18 H ILE 18 -11.806 -3.540 -3.813 213 HA ILE 18 HA ILE 18 -14.084 -2.822 -5.216 214 HB ILE 18 HB ILE 18 -12.768 -5.569 -5.205 215 1HG1 ILE 18 2HG1 ILE 18 -12.379 -3.228 -7.083 216 2HG1 ILE 18 1HG1 ILE 18 -11.261 -3.689 -5.806 217 1HG2 ILE 18 2HG2 ILE 18 -15.033 -5.617 -6.157 218 2HG2 ILE 18 1HG2 ILE 18 -14.590 -4.329 -7.270 219 3HG2 ILE 18 3HG2 ILE 18 -13.801 -5.904 -7.389 220 1HD1 ILE 18 3HD1 ILE 18 -10.910 -5.850 -6.930 221 2HD1 ILE 18 2HD1 ILE 18 -11.986 -5.325 -8.223 222 3HD1 ILE 18 1HD1 ILE 18 -10.471 -4.472 -7.940 223 MG ILE 18 QG2 ILE 18 -14.475 -5.283 -6.939 224 MD ILE 18 QD1 ILE 18 -11.122 -5.216 -7.698 225 QG ILE 18 QG1 ILE 18 -11.820 -3.459 -6.444 226 H TYR 19 H TYR 19 -13.743 -5.407 -2.825 227 HA TYR 19 HA TYR 19 -16.401 -6.338 -2.921 228 1HB TYR 19 2HB TYR 19 -14.768 -7.733 -1.882 229 2HB TYR 19 1HB TYR 19 -14.268 -6.458 -0.781 230 HD1 TYR 19 1HD TYR 19 -15.220 -6.324 1.357 231 HD2 TYR 19 2HD TYR 19 -17.148 -8.683 -1.609 232 HE1 TYR 19 1HE TYR 19 -16.776 -7.156 3.052 233 HE2 TYR 19 2HE TYR 19 -18.718 -9.529 0.091 234 HH TYR 19 HH TYR 19 -18.934 -8.090 3.201 235 QB TYR 19 QB TYR 19 -14.518 -7.095 -1.332 236 QD TYR 19 QD TYR 19 -16.184 -7.504 -0.126 237 QE TYR 19 QE TYR 19 -17.747 -8.343 1.571 238 QR TYR 19 QR TYR 19 -16.965 -7.923 0.723 239 H LEU 20 H LEU 20 -14.845 -3.899 -0.916 240 HA LEU 20 HA LEU 20 -17.078 -3.425 0.736 241 1HB LEU 20 2HB LEU 20 -14.755 -1.615 0.155 242 2HB LEU 20 1HB LEU 20 -15.910 -1.464 1.469 243 HG LEU 20 HG LEU 20 -13.957 -3.732 1.139 244 1HD1 LEU 20 1HD1 LEU 20 -12.874 -1.619 1.642 245 2HD1 LEU 20 3HD1 LEU 20 -13.968 -1.388 3.008 246 3HD1 LEU 20 2HD1 LEU 20 -12.815 -2.720 3.018 247 1HD2 LEU 20 3HD2 LEU 20 -16.013 -4.390 2.310 248 2HD2 LEU 20 2HD2 LEU 20 -14.632 -4.340 3.401 249 3HD2 LEU 20 1HD2 LEU 20 -15.814 -3.029 3.414 250 MD1 LEU 20 QD1 LEU 20 -13.219 -1.909 2.556 251 MD2 LEU 20 QD2 LEU 20 -15.486 -3.919 3.042 252 QB LEU 20 QB LEU 20 -15.333 -1.539 0.812 253 QD LEU 20 QQD LEU 20 -14.353 -2.914 2.799 254 H VAL 21 H VAL 21 -15.946 -1.848 -2.213 255 HA VAL 21 HA VAL 21 -17.829 0.252 -2.147 256 HB VAL 21 HB VAL 21 -16.465 -0.992 -4.563 257 1HG1 VAL 21 1HG1 VAL 21 -18.449 0.275 -5.259 258 2HG1 VAL 21 3HG1 VAL 21 -17.882 1.675 -4.347 259 3HG1 VAL 21 2HG1 VAL 21 -16.970 1.104 -5.747 260 1HG2 VAL 21 2HG2 VAL 21 -15.767 1.452 -2.944 261 2HG2 VAL 21 1HG2 VAL 21 -14.888 -0.078 -2.966 262 3HG2 VAL 21 3HG2 VAL 21 -14.939 0.931 -4.412 263 MG1 VAL 21 QG1 VAL 21 -17.767 1.018 -5.118 264 MG2 VAL 21 QG2 VAL 21 -15.198 0.768 -3.440 265 QG VAL 21 QQG VAL 21 -16.483 0.893 -4.279 266 H GLU 22 H GLU 22 -18.052 -3.015 -3.396 267 HA GLU 22 HA GLU 22 -20.597 -2.660 -4.605 268 1HB GLU 22 2HB GLU 22 -19.293 -5.191 -3.590 269 2HB GLU 22 1HB GLU 22 -20.762 -5.137 -4.546 270 1HG GLU 22 2HG GLU 22 -18.014 -4.268 -5.411 271 2HG GLU 22 1HG GLU 22 -18.890 -5.700 -5.945 272 QB GLU 22 QB GLU 22 -20.028 -5.164 -4.068 273 QG GLU 22 QG GLU 22 -18.452 -4.984 -5.678 274 H LYS 23 H LYS 23 -19.576 -3.644 -1.400 275 HA LYS 23 HA LYS 23 -22.267 -4.294 -0.570 276 1HB LYS 23 2HB LYS 23 -19.728 -4.191 1.040 277 2HB LYS 23 1HB LYS 23 -21.267 -4.786 1.630 278 1HG LYS 23 2HG LYS 23 -19.736 -5.965 -0.683 279 2HG LYS 23 1HG LYS 23 -19.691 -6.573 0.965 280 1HD LYS 23 2HD LYS 23 -22.190 -6.393 -0.732 281 2HD LYS 23 1HD LYS 23 -21.216 -7.846 -0.538 282 1HE LYS 23 2HE LYS 23 -21.632 -7.740 1.907 283 2HE LYS 23 1HE LYS 23 -22.687 -6.354 1.640 284 1HZ LYS 23 2HZ LYS 23 -24.131 -7.784 0.285 285 2HZ LYS 23 1HZ LYS 23 -23.121 -9.103 0.581 286 3HZ LYS 23 3HZ LYS 23 -23.937 -8.374 1.852 287 QB LYS 23 QB LYS 23 -20.497 -4.489 1.335 288 QD LYS 23 QD LYS 23 -21.703 -7.120 -0.635 289 QG LYS 23 QG LYS 23 -19.714 -6.269 0.141 290 QE LYS 23 QE LYS 23 -22.159 -7.047 1.774 291 QZ LYS 23 QZ LYS 23 -23.730 -8.420 0.906 292 H TYR 24 H TYR 24 -19.973 -1.726 0.277 293 HA TYR 24 HA TYR 24 -22.083 -0.457 1.900 294 1HB TYR 24 2HB TYR 24 -19.116 0.120 1.794 295 2HB TYR 24 1HB TYR 24 -20.269 0.864 2.892 296 HD1 TYR 24 1HD TYR 24 -18.358 -2.141 2.101 297 HD2 TYR 24 2HD TYR 24 -21.101 -0.372 4.820 298 HE1 TYR 24 1HE TYR 24 -17.899 -3.924 3.711 299 HE2 TYR 24 2HE TYR 24 -20.651 -2.161 6.446 300 HH TYR 24 HH TYR 24 -19.825 -4.410 6.475 301 QB TYR 24 QB TYR 24 -19.692 0.492 2.343 302 QD TYR 24 QD TYR 24 -19.730 -1.256 3.460 303 QE TYR 24 QE TYR 24 -19.275 -3.043 5.078 304 QR TYR 24 QR TYR 24 -19.502 -2.150 4.269 305 H GLY 25 H GLY 25 -19.774 0.081 -0.663 306 1HA GLY 25 1HA GLY 25 -21.139 2.604 -1.286 307 2HA GLY 25 2HA GLY 25 -20.469 1.517 -2.510 308 QA GLY 25 QA GLY 25 -20.804 2.061 -1.898 309 H PHE 26 H PHE 26 -19.783 4.219 -2.282 310 HA PHE 26 HA PHE 26 -16.963 3.931 -1.574 311 1HB PHE 26 2HB PHE 26 -16.553 5.838 -3.135 312 2HB PHE 26 1HB PHE 26 -17.250 4.436 -3.927 313 HD1 PHE 26 1HD PHE 26 -19.587 4.495 -4.708 314 HD2 PHE 26 2HD PHE 26 -17.715 7.923 -3.025 315 HE1 PHE 26 1HE PHE 26 -21.348 5.922 -5.668 316 HE2 PHE 26 2HE PHE 26 -19.468 9.352 -3.974 317 HZ PHE 26 HZ PHE 26 -21.293 8.352 -5.299 318 QB PHE 26 QB PHE 26 -16.902 5.137 -3.531 319 QD PHE 26 QD PHE 26 -18.651 6.209 -3.867 320 QE PHE 26 QE PHE 26 -20.408 7.637 -4.821 321 QR PHE 26 QR PHE 26 -19.882 7.209 -4.535 322 H THR 27 H THR 27 -19.754 5.159 -0.419 323 HA THR 27 HA THR 27 -18.388 7.319 0.966 324 HB THR 27 HB THR 27 -21.379 7.003 0.553 325 HG1 THR 27 1HG THR 27 -20.860 7.677 -1.375 326 1HG2 THR 27 3HG2 THR 27 -19.711 9.325 1.563 327 2HG2 THR 27 2HG2 THR 27 -21.455 9.358 1.302 328 3HG2 THR 27 1HG2 THR 27 -20.768 8.311 2.544 329 MG THR 27 QG2 THR 27 -20.645 8.998 1.803 330 H HIS 28 H HIS 28 -17.542 5.693 2.349 331 HA HIS 28 HA HIS 28 -19.173 5.440 4.716 332 1HB HIS 28 2HB HIS 28 -19.478 3.305 3.186 333 2HB HIS 28 1HB HIS 28 -17.834 2.925 3.682 334 HD1 HIS 28 1HD HIS 28 -21.355 2.779 4.822 335 HD2 HIS 28 2HD HIS 28 -17.566 2.348 6.466 336 HE1 HIS 28 1HE HIS 28 -21.688 1.689 7.059 337 QB HIS 28 QB HIS 28 -18.656 3.115 3.434 338 H HIS 29 H HIS 29 -17.722 5.442 6.567 339 HA HIS 29 HA HIS 29 -15.243 6.555 5.873 340 1HB HIS 29 2HB HIS 29 -16.388 7.160 7.995 341 2HB HIS 29 1HB HIS 29 -15.995 5.574 8.645 342 HD1 HIS 29 1HD HIS 29 -14.141 5.998 10.369 343 HD2 HIS 29 2HD HIS 29 -13.610 8.139 6.845 344 HE1 HIS 29 1HE HIS 29 -11.919 7.138 10.558 345 QB HIS 29 QB HIS 29 -16.191 6.367 8.320 346 H LYS 30 H LYS 30 -16.060 3.284 6.794 347 HA LYS 30 HA LYS 30 -13.590 2.106 7.077 348 1HB LYS 30 2HB LYS 30 -16.031 1.085 5.633 349 2HB LYS 30 1HB LYS 30 -14.587 0.116 5.802 350 1HG LYS 30 2HG LYS 30 -16.212 1.208 8.096 351 2HG LYS 30 1HG LYS 30 -16.345 -0.423 7.443 352 1HD LYS 30 2HD LYS 30 -13.912 -0.739 7.968 353 2HD LYS 30 1HD LYS 30 -13.945 0.818 8.791 354 1HE LYS 30 2HE LYS 30 -15.633 -1.588 9.492 355 2HE LYS 30 1HE LYS 30 -14.199 -1.052 10.356 356 1HZ LYS 30 3HZ LYS 30 -16.726 0.491 10.091 357 2HZ LYS 30 2HZ LYS 30 -16.185 -0.353 11.456 358 3HZ LYS 30 1HZ LYS 30 -15.333 0.988 10.917 359 QB LYS 30 QB LYS 30 -15.309 0.600 5.717 360 QD LYS 30 QD LYS 30 -13.928 0.039 8.379 361 QG LYS 30 QG LYS 30 -16.279 0.392 7.769 362 QE LYS 30 QE LYS 30 -14.916 -1.320 9.924 363 QZ LYS 30 QZ LYS 30 -16.081 0.375 10.821 364 H VAL 31 H VAL 31 -15.281 2.541 3.960 365 HA VAL 31 HA VAL 31 -13.135 1.535 2.464 366 HB VAL 31 HB VAL 31 -14.259 2.306 0.448 367 1HG1 VAL 31 3HG1 VAL 31 -15.038 0.308 1.500 368 2HG1 VAL 31 2HG1 VAL 31 -16.176 1.224 2.486 369 3HG1 VAL 31 1HG1 VAL 31 -16.394 1.140 0.733 370 1HG2 VAL 31 2HG2 VAL 31 -16.155 3.774 2.275 371 2HG2 VAL 31 1HG2 VAL 31 -15.013 4.505 1.146 372 3HG2 VAL 31 3HG2 VAL 31 -16.373 3.560 0.538 373 MG1 VAL 31 QG1 VAL 31 -15.869 0.891 1.573 374 MG2 VAL 31 QG2 VAL 31 -15.847 3.946 1.319 375 QG VAL 31 QQG VAL 31 -15.858 2.419 1.446 376 H ILE 32 H ILE 32 -13.923 4.778 3.427 377 HA ILE 32 HA ILE 32 -11.981 6.051 1.803 378 HB ILE 32 HB ILE 32 -13.234 6.992 4.409 379 1HG1 ILE 32 2HG1 ILE 32 -13.945 7.603 1.528 380 2HG1 ILE 32 1HG1 ILE 32 -14.835 6.522 2.590 381 1HG2 ILE 32 1HG2 ILE 32 -11.158 8.214 3.943 382 2HG2 ILE 32 3HG2 ILE 32 -11.730 8.581 2.314 383 3HG2 ILE 32 2HG2 ILE 32 -12.562 9.256 3.712 384 1HD1 ILE 32 3HD1 ILE 32 -15.375 8.405 4.043 385 2HD1 ILE 32 2HD1 ILE 32 -14.479 9.480 2.972 386 3HD1 ILE 32 1HD1 ILE 32 -15.935 8.671 2.392 387 MG ILE 32 QG2 ILE 32 -11.817 8.684 3.323 388 MD ILE 32 QD1 ILE 32 -15.263 8.852 3.136 389 QG ILE 32 QG1 ILE 32 -14.390 7.063 2.059 390 H SER 33 H SER 33 -11.901 4.678 5.038 391 HA SER 33 HA SER 33 -9.318 5.562 5.712 392 1HB SER 33 2HB SER 33 -10.880 3.180 6.711 393 2HB SER 33 1HB SER 33 -9.435 3.847 7.476 394 HG SER 33 HG SER 33 -11.920 5.162 7.068 395 QB SER 33 QB SER 33 -10.157 3.513 7.094 396 H PHE 34 H PHE 34 -10.475 2.513 4.269 397 HA PHE 34 HA PHE 34 -7.877 1.392 4.092 398 1HB PHE 34 2HB PHE 34 -10.351 0.681 2.494 399 2HB PHE 34 1HB PHE 34 -8.869 -0.261 2.534 400 HD1 PHE 34 1HD PHE 34 -12.064 -0.041 3.807 401 HD2 PHE 34 2HD PHE 34 -8.096 -0.857 5.047 402 HE1 PHE 34 1HE PHE 34 -12.936 -1.266 5.719 403 HE2 PHE 34 2HE PHE 34 -8.956 -2.100 6.989 404 HZ PHE 34 HZ PHE 34 -11.374 -2.307 7.335 405 QB PHE 34 QB PHE 34 -9.610 0.210 2.514 406 QD PHE 34 QD PHE 34 -10.080 -0.449 4.427 407 QE PHE 34 QE PHE 34 -10.946 -1.683 6.354 408 QR PHE 34 QR PHE 34 -10.685 -1.314 5.779 409 H SER 35 H SER 35 -9.761 3.413 1.911 410 HA SER 35 HA SER 35 -8.071 3.189 -0.321 411 1HB SER 35 2HB SER 35 -9.849 5.496 0.517 412 2HB SER 35 1HB SER 35 -9.110 5.314 -1.077 413 HG SER 35 HG SER 35 -11.075 3.697 0.158 414 QB SER 35 QB SER 35 -9.480 5.405 -0.280 415 H GLN 36 H GLN 36 -7.960 5.285 2.514 416 HA GLN 36 HA GLN 36 -5.816 6.898 1.690 417 1HB GLN 36 2HB GLN 36 -6.756 6.093 4.431 418 2HB GLN 36 1HB GLN 36 -5.440 7.230 4.164 419 1HG GLN 36 2HG GLN 36 -6.913 8.742 3.035 420 2HG GLN 36 1HG GLN 36 -8.235 7.577 3.120 421 1HE2 GLN 36 1HE2 GLN 36 -9.275 7.283 5.005 422 2HE2 GLN 36 2HE2 GLN 36 -9.102 8.296 6.393 423 QB GLN 36 QB GLN 36 -6.098 6.662 4.298 424 QG GLN 36 QG GLN 36 -7.574 8.160 3.077 425 QE GLN 36 QE2 GLN 36 -9.189 7.789 5.699 426 H GLU 37 H GLU 37 -5.916 3.722 3.173 427 HA GLU 37 HA GLU 37 -3.121 3.526 3.643 428 1HB GLU 37 2HB GLU 37 -5.114 1.314 3.162 429 2HB GLU 37 1HB GLU 37 -3.497 1.110 3.817 430 1HG GLU 37 2HG GLU 37 -4.167 2.489 5.749 431 2HG GLU 37 1HG GLU 37 -5.802 2.550 5.092 432 QB GLU 37 QB GLU 37 -4.306 1.212 3.489 433 QG GLU 37 QG GLU 37 -4.985 2.520 5.421 434 H LEU 38 H LEU 38 -5.252 2.515 1.026 435 HA LEU 38 HA LEU 38 -3.412 1.265 -0.656 436 1HB LEU 38 2HB LEU 38 -5.924 1.293 -0.884 437 2HB LEU 38 1HB LEU 38 -5.829 2.944 -1.425 438 HG LEU 38 HG LEU 38 -6.281 1.270 -3.225 439 1HD1 LEU 38 2HD1 LEU 38 -3.728 2.811 -3.590 440 2HD1 LEU 38 1HD1 LEU 38 -4.716 2.129 -4.886 441 3HD1 LEU 38 3HD1 LEU 38 -5.358 3.414 -3.861 442 1HD2 LEU 38 3HD2 LEU 38 -3.474 0.386 -2.654 443 2HD2 LEU 38 2HD2 LEU 38 -4.956 -0.545 -2.418 444 3HD2 LEU 38 1HD2 LEU 38 -4.439 -0.107 -4.048 445 MD1 LEU 38 QD1 LEU 38 -4.601 2.785 -4.112 446 MD2 LEU 38 QD2 LEU 38 -4.290 -0.089 -3.040 447 QB LEU 38 QB LEU 38 -5.877 2.118 -1.155 448 QD LEU 38 QQD LEU 38 -4.445 1.348 -3.576 449 H ASP 39 H ASP 39 -4.450 4.610 -0.512 450 HA ASP 39 HA ASP 39 -2.873 5.817 -2.455 451 1HB ASP 39 2HB ASP 39 -4.736 6.884 -1.271 452 2HB ASP 39 1HB ASP 39 -3.806 6.878 0.213 453 QB ASP 39 QB ASP 39 -4.271 6.881 -0.529 454 H ARG 40 H ARG 40 -2.233 5.348 0.977 455 HA ARG 40 HA ARG 40 0.259 6.659 1.133 456 1HB ARG 40 2HB ARG 40 -1.277 6.121 3.025 457 2HB ARG 40 1HB ARG 40 -0.824 4.439 2.857 458 1HG ARG 40 2HG ARG 40 1.505 5.048 3.400 459 2HG ARG 40 1HG ARG 40 0.979 6.715 3.660 460 1HD ARG 40 2HD ARG 40 0.065 4.265 5.160 461 2HD ARG 40 1HD ARG 40 1.060 5.579 5.786 462 HE ARG 40 HE ARG 40 -1.005 6.994 5.236 463 1HH1 ARG 40 1HH1 ARG 40 -1.112 3.670 6.436 464 2HH1 ARG 40 2HH1 ARG 40 -2.624 3.814 7.178 465 1HH2 ARG 40 1HH2 ARG 40 -3.157 7.196 6.283 466 2HH2 ARG 40 2HH2 ARG 40 -3.794 5.851 7.090 467 QB ARG 40 QB ARG 40 -1.050 5.280 2.941 468 QG ARG 40 QG ARG 40 1.242 5.882 3.530 469 QD ARG 40 QD ARG 40 0.562 4.922 5.473 470 QH1 ARG 40 QH1 ARG 40 -1.868 3.742 6.807 471 QH2 ARG 40 QH2 ARG 40 -3.475 6.524 6.687 472 H LEU 41 H LEU 41 -0.603 3.232 0.797 473 HA LEU 41 HA LEU 41 2.062 2.320 0.823 474 1HB LEU 41 2HB LEU 41 -0.554 1.049 0.175 475 2HB LEU 41 1HB LEU 41 0.916 0.234 -0.309 476 HG LEU 41 HG LEU 41 1.649 0.087 2.004 477 1HD1 LEU 41 3HD1 LEU 41 0.655 2.100 2.938 478 2HD1 LEU 41 2HD1 LEU 41 -0.954 1.403 2.757 479 3HD1 LEU 41 1HD1 LEU 41 0.200 0.675 3.874 480 1HD2 LEU 41 3HD2 LEU 41 0.319 -1.712 1.098 481 2HD2 LEU 41 2HD2 LEU 41 -0.026 -1.499 2.814 482 3HD2 LEU 41 1HD2 LEU 41 -1.163 -0.905 1.605 483 MD1 LEU 41 QD1 LEU 41 -0.033 1.393 3.190 484 MD2 LEU 41 QD2 LEU 41 -0.290 -1.372 1.839 485 QB LEU 41 QB LEU 41 0.181 0.642 -0.067 486 QD LEU 41 QQD LEU 41 -0.162 0.010 2.514 487 H LEU 42 H LEU 42 -0.087 3.220 -1.789 488 HA LEU 42 HA LEU 42 1.516 2.391 -3.956 489 1HB LEU 42 2HB LEU 42 -0.749 3.193 -4.285 490 2HB LEU 42 1HB LEU 42 -0.308 4.786 -3.696 491 HG LEU 42 HG LEU 42 1.295 4.915 -5.651 492 1HD1 LEU 42 1HD1 LEU 42 -0.294 2.564 -6.625 493 2HD1 LEU 42 3HD1 LEU 42 0.816 3.537 -7.594 494 3HD1 LEU 42 2HD1 LEU 42 1.425 2.601 -6.228 495 1HD2 LEU 42 2HD2 LEU 42 -1.668 4.803 -6.187 496 2HD2 LEU 42 1HD2 LEU 42 -0.735 6.181 -5.594 497 3HD2 LEU 42 3HD2 LEU 42 -0.466 5.579 -7.228 498 MD1 LEU 42 QD1 LEU 42 0.649 2.901 -6.816 499 MD2 LEU 42 QD2 LEU 42 -0.956 5.521 -6.336 500 QB LEU 42 QB LEU 42 -0.529 3.990 -3.990 501 QD LEU 42 QQD LEU 42 -0.154 4.211 -6.576 502 H ASN 43 H ASN 43 1.415 5.351 -2.089 503 HA ASN 43 HA ASN 43 3.401 6.769 -3.449 504 1HB ASN 43 2HB ASN 43 1.778 7.743 -1.828 505 2HB ASN 43 1HB ASN 43 2.673 6.971 -0.526 506 1HD2 ASN 43 1HD2 ASN 43 3.975 8.523 -3.408 507 2HD2 ASN 43 2HD2 ASN 43 4.838 9.756 -2.574 508 QB ASN 43 QB ASN 43 2.225 7.357 -1.177 509 QD ASN 43 QD2 ASN 43 4.407 9.139 -2.991 510 H LEU 44 H LEU 44 3.552 4.468 -0.803 511 HA LEU 44 HA LEU 44 6.248 4.725 -0.097 512 1HB LEU 44 2HB LEU 44 4.464 2.307 -0.062 513 2HB LEU 44 1HB LEU 44 6.050 2.317 0.666 514 HG LEU 44 HG LEU 44 3.656 3.965 1.512 515 1HD1 LEU 44 1HD1 LEU 44 3.499 1.604 2.122 516 2HD1 LEU 44 3HD1 LEU 44 5.091 1.692 2.868 517 3HD1 LEU 44 2HD1 LEU 44 3.750 2.615 3.542 518 1HD2 LEU 44 1HD2 LEU 44 6.440 3.862 2.677 519 2HD2 LEU 44 3HD2 LEU 44 5.699 5.246 1.872 520 3HD2 LEU 44 2HD2 LEU 44 5.058 4.670 3.410 521 MD1 LEU 44 QD1 LEU 44 4.114 1.970 2.844 522 MD2 LEU 44 QD2 LEU 44 5.732 4.593 2.653 523 QB LEU 44 QB LEU 44 5.257 2.312 0.302 524 QD LEU 44 QQD LEU 44 4.923 3.282 2.748 525 H LEU 45 H LEU 45 4.755 2.722 -2.624 526 HA LEU 45 HA LEU 45 7.116 1.437 -3.476 527 1HB LEU 45 2HB LEU 45 4.689 2.220 -5.077 528 2HB LEU 45 1HB LEU 45 6.003 1.269 -5.727 529 HG LEU 45 HG LEU 45 4.130 0.457 -3.507 530 1HD1 LEU 45 1HD1 LEU 45 4.459 -0.453 -6.359 531 2HD1 LEU 45 3HD1 LEU 45 3.421 -1.228 -5.169 532 3HD1 LEU 45 2HD1 LEU 45 3.085 0.425 -5.681 533 1HD2 LEU 45 3HD2 LEU 45 6.414 -1.062 -4.785 534 2HD2 LEU 45 2HD2 LEU 45 6.353 -0.479 -3.121 535 3HD2 LEU 45 1HD2 LEU 45 5.241 -1.733 -3.654 536 MD1 LEU 45 QD1 LEU 45 3.655 -0.418 -5.736 537 MD2 LEU 45 QD2 LEU 45 6.003 -1.091 -3.853 538 QB LEU 45 QB LEU 45 5.346 1.745 -5.402 539 QD LEU 45 QQD LEU 45 4.829 -0.755 -4.795 540 H ILE 46 H ILE 46 5.682 4.479 -4.406 541 HA ILE 46 HA ILE 46 7.444 5.175 -6.467 542 HB ILE 46 HB ILE 46 5.990 7.024 -4.546 543 1HG1 ILE 46 2HG1 ILE 46 5.178 6.036 -7.293 544 2HG1 ILE 46 1HG1 ILE 46 4.502 5.461 -5.778 545 1HG2 ILE 46 3HG2 ILE 46 7.792 8.181 -5.717 546 2HG2 ILE 46 2HG2 ILE 46 7.187 7.599 -7.267 547 3HG2 ILE 46 1HG2 ILE 46 6.223 8.726 -6.309 548 1HD1 ILE 46 3HD1 ILE 46 3.611 7.704 -5.342 549 2HD1 ILE 46 2HD1 ILE 46 4.288 8.262 -6.867 550 3HD1 ILE 46 1HD1 ILE 46 3.015 7.039 -6.862 551 MG ILE 46 QG2 ILE 46 7.067 8.169 -6.431 552 MD ILE 46 QD1 ILE 46 3.638 7.668 -6.357 553 QG ILE 46 QG1 ILE 46 4.840 5.748 -6.536 554 H GLU 47 H GLU 47 7.519 5.998 -3.022 555 HA GLU 47 HA GLU 47 9.938 7.416 -3.084 556 1HB GLU 47 2HB GLU 47 8.505 6.026 -0.851 557 2HB GLU 47 1HB GLU 47 9.993 6.919 -0.596 558 1HG GLU 47 2HG GLU 47 8.870 8.933 -1.507 559 2HG GLU 47 1HG GLU 47 7.375 8.001 -1.600 560 QB GLU 47 QB GLU 47 9.249 6.473 -0.724 561 QG GLU 47 QG GLU 47 8.123 8.467 -1.554 562 H LEU 48 H LEU 48 9.342 4.031 -2.183 563 HA LEU 48 HA LEU 48 12.025 3.487 -1.561 564 1HB LEU 48 2HB LEU 48 9.649 1.770 -2.086 565 2HB LEU 48 1HB LEU 48 11.225 1.017 -2.098 566 HG LEU 48 HG LEU 48 10.107 0.739 0.053 567 1HD1 LEU 48 2HD1 LEU 48 12.516 0.783 0.019 568 2HD1 LEU 48 1HD1 LEU 48 12.514 2.531 0.236 569 3HD1 LEU 48 3HD1 LEU 48 11.901 1.483 1.512 570 1HD2 LEU 48 2HD2 LEU 48 10.234 3.751 0.286 571 2HD2 LEU 48 1HD2 LEU 48 8.769 2.784 0.123 572 3HD2 LEU 48 3HD2 LEU 48 9.764 2.643 1.574 573 MD1 LEU 48 QD1 LEU 48 12.310 1.599 0.589 574 MD2 LEU 48 QD2 LEU 48 9.589 3.059 0.661 575 QB LEU 48 QB LEU 48 10.437 1.394 -2.092 576 QD LEU 48 QQD LEU 48 10.950 2.329 0.625 577 H LYS 49 H LYS 49 10.282 3.131 -4.614 578 HA LYS 49 HA LYS 49 12.388 1.746 -5.911 579 1HB LYS 49 2HB LYS 49 10.013 1.777 -6.705 580 2HB LYS 49 1HB LYS 49 10.238 3.450 -7.186 581 1HG LYS 49 2HG LYS 49 12.013 2.749 -8.738 582 2HG LYS 49 1HG LYS 49 11.725 1.075 -8.270 583 1HD LYS 49 2HD LYS 49 9.417 1.256 -9.087 584 2HD LYS 49 1HD LYS 49 9.737 2.920 -9.591 585 1HE LYS 49 2HE LYS 49 9.942 1.449 -11.502 586 2HE LYS 49 1HE LYS 49 11.528 2.087 -11.080 587 1HZ LYS 49 1HZ LYS 49 11.994 -0.015 -9.934 588 2HZ LYS 49 3HZ LYS 49 10.476 -0.596 -10.394 589 3HZ LYS 49 2HZ LYS 49 11.633 -0.248 -11.564 590 QB LYS 49 QB LYS 49 10.126 2.613 -6.945 591 QD LYS 49 QD LYS 49 9.577 2.088 -9.339 592 QG LYS 49 QG LYS 49 11.869 1.912 -8.504 593 QE LYS 49 QE LYS 49 10.735 1.768 -11.291 594 QZ LYS 49 QZ LYS 49 11.368 -0.286 -10.630 595 H THR 50 H THR 50 11.776 5.103 -5.279 596 HA THR 50 HA THR 50 13.503 6.210 -7.206 597 HB THR 50 HB THR 50 12.523 7.338 -4.563 598 HG1 THR 50 1HG THR 50 10.748 7.187 -5.746 599 1HG2 THR 50 3HG2 THR 50 14.511 8.574 -5.419 600 2HG2 THR 50 2HG2 THR 50 13.691 8.787 -6.962 601 3HG2 THR 50 1HG2 THR 50 13.047 9.554 -5.511 602 MG THR 50 QG2 THR 50 13.750 8.972 -5.964 603 H LYS 51 H LYS 51 14.170 4.642 -4.179 604 HA LYS 51 HA LYS 51 16.704 5.792 -3.711 605 1HB LYS 51 2HB LYS 51 15.700 3.037 -2.952 606 2HB LYS 51 1HB LYS 51 17.179 3.769 -2.352 607 1HG LYS 51 2HG LYS 51 15.832 5.579 -1.355 608 2HG LYS 51 1HG LYS 51 14.372 4.723 -1.861 609 1HD LYS 51 2HD LYS 51 15.057 2.787 -0.520 610 2HD LYS 51 1HD LYS 51 16.507 3.649 -0.019 611 1HE LYS 51 2HE LYS 51 13.650 4.405 0.576 612 2HE LYS 51 1HE LYS 51 14.834 3.782 1.718 613 1HZ LYS 51 1HZ LYS 51 16.161 5.837 1.284 614 2HZ LYS 51 3HZ LYS 51 14.861 6.450 0.383 615 3HZ LYS 51 2HZ LYS 51 14.666 6.125 2.000 616 QB LYS 51 QB LYS 51 16.439 3.403 -2.652 617 QD LYS 51 QD LYS 51 15.782 3.218 -0.270 618 QG LYS 51 QG LYS 51 15.102 5.151 -1.608 619 QE LYS 51 QE LYS 51 14.242 4.094 1.147 620 QZ LYS 51 QZ LYS 51 15.229 6.137 1.222 621 H LYS 52 H LYS 52 15.552 3.188 -5.717 622 HA LYS 52 HA LYS 52 16.539 1.673 -7.087 623 1HB LYS 52 2HB LYS 52 17.599 2.732 -9.048 624 2HB LYS 52 1HB LYS 52 16.116 3.530 -8.560 625 1HG LYS 52 2HG LYS 52 17.335 5.338 -7.597 626 2HG LYS 52 1HG LYS 52 18.856 4.459 -7.838 627 1HD LYS 52 2HD LYS 52 18.559 4.577 -10.238 628 2HD LYS 52 1HD LYS 52 16.987 5.346 -10.048 629 1HE LYS 52 2HE LYS 52 18.656 7.026 -10.626 630 2HE LYS 52 1HE LYS 52 18.075 7.297 -8.989 631 1HZ LYS 52 1HZ LYS 52 20.125 6.214 -8.163 632 2HZ LYS 52 3HZ LYS 52 20.639 6.001 -9.748 633 3HZ LYS 52 2HZ LYS 52 20.476 7.537 -9.128 634 QB LYS 52 QB LYS 52 16.858 3.131 -8.804 635 QD LYS 52 QD LYS 52 17.773 4.962 -10.143 636 QG LYS 52 QG LYS 52 18.095 4.899 -7.718 637 QE LYS 52 QE LYS 52 18.365 7.162 -9.808 638 QZ LYS 52 QZ LYS 52 20.414 6.584 -9.013 639 H LYS 53 H LYS 53 17.908 1.564 -4.855 640 HA LYS 53 HA LYS 53 20.521 0.922 -5.904 641 1HB LYS 53 2HB LYS 53 21.470 1.370 -3.566 642 2HB LYS 53 1HB LYS 53 20.987 2.749 -4.555 643 1HG LYS 53 2HG LYS 53 18.902 2.934 -3.274 644 2HG LYS 53 1HG LYS 53 19.414 1.574 -2.280 645 1HD LYS 53 2HD LYS 53 20.933 4.164 -2.512 646 2HD LYS 53 1HD LYS 53 19.795 3.783 -1.223 647 1HE LYS 53 2HE LYS 53 21.185 1.834 -0.615 648 2HE LYS 53 1HE LYS 53 22.337 2.294 -1.866 649 1HZ LYS 53 2HZ LYS 53 21.602 4.028 0.435 650 2HZ LYS 53 1HZ LYS 53 22.980 3.053 0.348 651 3HZ LYS 53 3HZ LYS 53 22.781 4.319 -0.732 652 QB LYS 53 QB LYS 53 21.229 2.059 -4.060 653 QD LYS 53 QD LYS 53 20.364 3.974 -1.868 654 QG LYS 53 QG LYS 53 19.158 2.254 -2.777 655 QE LYS 53 QE LYS 53 21.761 2.064 -1.240 656 QZ LYS 53 QZ LYS 53 22.454 3.800 0.017 657 H ARG 54 H ARG 54 18.965 0.064 -2.771 658 HA ARG 54 HA ARG 54 18.843 -1.928 -1.720 659 1HB ARG 54 2HB ARG 54 17.995 -2.568 -4.519 660 2HB ARG 54 1HB ARG 54 17.686 -3.654 -3.155 661 1HG ARG 54 2HG ARG 54 16.298 -1.888 -2.138 662 2HG ARG 54 1HG ARG 54 16.603 -0.855 -3.538 663 1HD ARG 54 2HD ARG 54 14.432 -1.980 -3.720 664 2HD ARG 54 1HD ARG 54 15.537 -2.513 -4.988 665 HE ARG 54 HE ARG 54 15.445 -4.083 -2.573 666 1HH1 ARG 54 1HH1 ARG 54 14.224 -3.766 -5.910 667 2HH1 ARG 54 2HH1 ARG 54 13.929 -5.423 -6.090 668 1HH2 ARG 54 1HH2 ARG 54 14.984 -6.335 -2.850 669 2HH2 ARG 54 2HH2 ARG 54 14.326 -6.919 -4.308 670 QB ARG 54 QB ARG 54 17.841 -3.111 -3.837 671 QG ARG 54 QG ARG 54 16.450 -1.371 -2.838 672 QD ARG 54 QD ARG 54 14.984 -2.246 -4.354 673 QH1 ARG 54 QH1 ARG 54 14.076 -4.594 -6.000 674 QH2 ARG 54 QH2 ARG 54 14.655 -6.627 -3.579 675 H TYR 55 H TYR 55 19.274 -4.592 -3.101 676 HA TYR 55 HA TYR 55 22.135 -4.283 -3.606 677 1HB TYR 55 2HB TYR 55 20.604 -6.718 -2.700 678 2HB TYR 55 1HB TYR 55 22.336 -6.673 -3.035 679 HD1 TYR 55 1HD TYR 55 19.821 -6.236 -0.593 680 HD2 TYR 55 2HD TYR 55 23.741 -5.026 -1.644 681 HE1 TYR 55 1HE TYR 55 20.201 -5.513 1.718 682 HE2 TYR 55 2HE TYR 55 24.146 -4.298 0.669 683 HH TYR 55 HH TYR 55 22.071 -5.123 3.229 684 QB TYR 55 QB TYR 55 21.470 -6.695 -2.868 685 QD TYR 55 QD TYR 55 21.781 -5.631 -1.118 686 QE TYR 55 QE TYR 55 22.173 -4.906 1.194 687 QR TYR 55 QR TYR 55 21.977 -5.268 0.038 688 H SER 56 H SER 56 19.246 -4.588 -5.083 689 HA SER 56 HA SER 56 19.808 -6.551 -7.036 690 1HB SER 56 2HB SER 56 17.700 -5.425 -8.007 691 2HB SER 56 1HB SER 56 17.573 -6.280 -6.464 692 HG SER 56 HG SER 56 16.837 -3.888 -6.848 693 QB SER 56 QB SER 56 17.637 -5.853 -7.235 694 H LEU 57 H LEU 57 20.182 -3.056 -6.806 695 HA LEU 57 HA LEU 57 20.887 -2.862 -9.601 696 1HB LEU 57 2HB LEU 57 20.848 -0.853 -7.360 697 2HB LEU 57 1HB LEU 57 21.630 -0.480 -8.874 698 HG LEU 57 HG LEU 57 19.424 0.522 -8.741 699 1HD1 LEU 57 1HD1 LEU 57 20.240 -0.048 -10.913 700 2HD1 LEU 57 3HD1 LEU 57 19.490 -1.648 -10.817 701 3HD1 LEU 57 2HD1 LEU 57 18.494 -0.186 -10.831 702 1HD2 LEU 57 3HD2 LEU 57 18.294 -1.061 -7.281 703 2HD2 LEU 57 2HD2 LEU 57 17.373 -0.820 -8.767 704 3HD2 LEU 57 1HD2 LEU 57 18.330 -2.287 -8.550 705 MD1 LEU 57 QD1 LEU 57 19.408 -0.627 -10.854 706 MD2 LEU 57 QD2 LEU 57 17.999 -1.390 -8.199 707 QB LEU 57 QB LEU 57 21.239 -0.666 -8.117 708 QD LEU 57 QQD LEU 57 18.703 -1.008 -9.527 709 H LEU 58 H LEU 58 22.442 -3.426 -6.627 710 HA LEU 58 HA LEU 58 25.093 -2.741 -7.555 711 1HB LEU 58 2HB LEU 58 24.236 -4.335 -5.129 712 2HB LEU 58 1HB LEU 58 25.849 -3.730 -5.434 713 HG LEU 58 HG LEU 58 23.404 -2.043 -4.893 714 1HD1 LEU 58 2HD1 LEU 58 25.830 -2.621 -3.204 715 2HD1 LEU 58 1HD1 LEU 58 24.546 -1.480 -2.807 716 3HD1 LEU 58 3HD1 LEU 58 24.189 -3.201 -2.917 717 1HD2 LEU 58 1HD2 LEU 58 26.281 -1.225 -5.308 718 2HD2 LEU 58 3HD2 LEU 58 24.943 -0.903 -6.412 719 3HD2 LEU 58 2HD2 LEU 58 24.972 -0.153 -4.816 720 MD1 LEU 58 QD1 LEU 58 24.855 -2.434 -2.976 721 MD2 LEU 58 QD2 LEU 58 25.399 -0.760 -5.512 722 QB LEU 58 QB LEU 58 25.042 -4.032 -5.281 723 QD LEU 58 QQD LEU 58 25.127 -1.597 -4.244 724 H GLU 59 H GLU 59 23.372 -5.740 -6.719 725 HA GLU 59 HA GLU 59 25.320 -7.250 -8.254 726 1HB GLU 59 2HB GLU 59 23.021 -8.241 -6.560 727 2HB GLU 59 1HB GLU 59 24.342 -9.203 -7.214 728 1HG GLU 59 2HG GLU 59 25.911 -7.992 -5.772 729 2HG GLU 59 1HG GLU 59 24.564 -7.070 -5.104 730 QB GLU 59 QB GLU 59 23.682 -8.722 -6.887 731 QG GLU 59 QG GLU 59 25.237 -7.531 -5.438 732 H HIS 60 H HIS 60 24.687 -6.702 -10.275 733 HA HIS 60 HA HIS 60 21.954 -6.788 -11.017 734 1HB HIS 60 2HB HIS 60 22.827 -6.477 -13.399 735 2HB HIS 60 1HB HIS 60 23.153 -5.183 -12.259 736 HD1 HIS 60 1HD HIS 60 24.772 -7.388 -14.690 737 HD2 HIS 60 2HD HIS 60 25.920 -5.161 -11.380 738 HE1 HIS 60 1HE HIS 60 27.278 -7.075 -14.881 739 QB HIS 60 QB HIS 60 22.990 -5.830 -12.829 740 H HIS 61 H HIS 61 20.799 -8.210 -11.958 741 HA HIS 61 HA HIS 61 21.368 -10.918 -11.494 742 1HB HIS 61 2HB HIS 61 19.219 -9.674 -13.215 743 2HB HIS 61 1HB HIS 61 19.246 -11.362 -12.720 744 HD1 HIS 61 1HD HIS 61 18.221 -11.877 -10.444 745 HD2 HIS 61 2HD HIS 61 18.768 -7.813 -11.079 746 HE1 HIS 61 1HE HIS 61 17.029 -10.705 -8.561 747 QB HIS 61 QB HIS 61 19.233 -10.518 -12.968 748 H HIS 62 H HIS 62 20.924 -9.219 -14.577 749 HA HIS 62 HA HIS 62 22.348 -11.374 -15.832 750 1HB HIS 62 2HB HIS 62 21.860 -10.223 -18.009 751 2HB HIS 62 1HB HIS 62 20.421 -10.639 -17.106 752 HD1 HIS 62 1HD HIS 62 18.885 -8.655 -16.388 753 HD2 HIS 62 2HD HIS 62 22.368 -7.506 -18.352 754 HE1 HIS 62 1HE HIS 62 18.584 -6.231 -16.998 755 QB HIS 62 QB HIS 62 21.140 -10.431 -17.558 756 H HIS 63 H HIS 63 24.385 -11.426 -15.830 757 HA HIS 63 HA HIS 63 25.851 -8.944 -16.140 758 1HB HIS 63 2HB HIS 63 27.559 -9.802 -14.489 759 2HB HIS 63 1HB HIS 63 26.020 -9.338 -13.800 760 HD1 HIS 63 1HD HIS 63 24.541 -11.297 -12.792 761 HD2 HIS 63 2HD HIS 63 28.274 -12.447 -14.215 762 HE1 HIS 63 1HE HIS 63 24.952 -13.597 -11.885 763 QB HIS 63 QB HIS 63 26.790 -9.570 -14.144 764 H HIS 64 H HIS 64 26.987 -9.017 -17.874 765 HA HIS 64 HA HIS 64 28.669 -11.267 -18.413 766 1HB HIS 64 2HB HIS 64 26.608 -11.884 -19.642 767 2HB HIS 64 1HB HIS 64 26.614 -10.326 -20.456 768 HD1 HIS 64 1HD HIS 64 27.651 -10.386 -22.741 769 HD2 HIS 64 2HD HIS 64 29.096 -13.391 -20.260 770 HE1 HIS 64 1HE HIS 64 29.222 -11.740 -24.140 771 QB HIS 64 QB HIS 64 26.611 -11.105 -20.049 No H/Q in entry = 771 Start of MODEL 19 1 H1 MET 1 3HT MET 1 15.225 -6.109 -2.815 2 H2 MET 1 2HT MET 1 15.668 -4.667 -2.037 3 H3 MET 1 1HT MET 1 14.401 -5.637 -1.437 4 HA MET 1 HA MET 1 13.402 -3.851 -2.546 5 1HB MET 1 2HB MET 1 15.397 -3.327 -3.972 6 2HB MET 1 1HB MET 1 15.033 -4.735 -4.948 7 1HG MET 1 2HG MET 1 13.215 -2.346 -4.640 8 2HG MET 1 1HG MET 1 14.366 -2.552 -5.946 9 1HE MET 1 3HE MET 1 14.197 -4.559 -7.719 10 2HE MET 1 2HE MET 1 13.957 -5.787 -6.478 11 3HE MET 1 1HE MET 1 12.836 -5.677 -7.825 12 QB MET 1 QB MET 1 15.215 -4.031 -4.460 13 QG MET 1 QG MET 1 13.791 -2.449 -5.293 14 ME MET 1 QE MET 1 13.664 -5.341 -7.341 15 H ASN 2 H ASN 2 11.387 -4.590 -2.759 16 HA ASN 2 HA ASN 2 10.842 -6.568 -4.732 17 1HB ASN 2 2HB ASN 2 9.363 -7.927 -3.235 18 2HB ASN 2 1HB ASN 2 11.077 -8.091 -2.910 19 1HD2 ASN 2 1HD2 ASN 2 8.872 -8.724 -1.138 20 2HD2 ASN 2 2HD2 ASN 2 9.048 -7.716 0.244 21 QB ASN 2 QB ASN 2 10.220 -8.009 -3.072 22 QD ASN 2 QD2 ASN 2 8.960 -8.220 -0.447 23 H VAL 3 H VAL 3 10.187 -4.523 -5.572 24 HA VAL 3 HA VAL 3 7.926 -3.186 -4.498 25 HB VAL 3 HB VAL 3 7.722 -2.046 -6.697 26 1HG1 VAL 3 3HG1 VAL 3 10.505 -2.143 -5.553 27 2HG1 VAL 3 2HG1 VAL 3 9.892 -0.877 -6.621 28 3HG1 VAL 3 1HG1 VAL 3 9.178 -1.114 -5.024 29 1HG2 VAL 3 1HG2 VAL 3 8.442 -3.874 -8.165 30 2HG2 VAL 3 3HG2 VAL 3 9.403 -2.422 -8.447 31 3HG2 VAL 3 2HG2 VAL 3 10.076 -3.754 -7.515 32 MG1 VAL 3 QG1 VAL 3 9.858 -1.378 -5.733 33 MG2 VAL 3 QG2 VAL 3 9.307 -3.350 -8.042 34 QG VAL 3 QQG VAL 3 9.583 -2.364 -6.888 35 H THR 4 H THR 4 8.320 -5.988 -6.353 36 HA THR 4 HA THR 4 5.747 -6.038 -7.524 37 HB THR 4 HB THR 4 7.622 -7.417 -8.399 38 HG1 THR 4 1HG THR 4 5.301 -8.865 -7.577 39 1HG2 THR 4 2HG2 THR 4 8.560 -8.077 -6.190 40 2HG2 THR 4 1HG2 THR 4 7.203 -9.165 -5.973 41 3HG2 THR 4 3HG2 THR 4 8.357 -9.450 -7.284 42 MG THR 4 QG2 THR 4 8.040 -8.898 -6.482 43 H LYS 5 H LYS 5 7.068 -7.163 -4.465 44 HA LYS 5 HA LYS 5 4.607 -8.430 -3.720 45 1HB LYS 5 2HB LYS 5 7.060 -7.878 -2.053 46 2HB LYS 5 1HB LYS 5 5.697 -8.879 -1.571 47 1HG LYS 5 2HG LYS 5 7.631 -9.423 -3.817 48 2HG LYS 5 1HG LYS 5 7.502 -10.280 -2.282 49 1HD LYS 5 2HD LYS 5 5.243 -11.024 -2.893 50 2HD LYS 5 1HD LYS 5 5.386 -10.179 -4.432 51 1HE LYS 5 2HE LYS 5 5.855 -12.514 -4.776 52 2HE LYS 5 1HE LYS 5 7.333 -11.589 -4.988 53 1HZ LYS 5 3HZ LYS 5 6.585 -13.054 -2.524 54 2HZ LYS 5 2HZ LYS 5 7.708 -13.586 -3.681 55 3HZ LYS 5 1HZ LYS 5 8.024 -12.209 -2.774 56 QB LYS 5 QB LYS 5 6.379 -8.379 -1.812 57 QD LYS 5 QD LYS 5 5.314 -10.601 -3.663 58 QG LYS 5 QG LYS 5 7.566 -9.852 -3.049 59 QE LYS 5 QE LYS 5 6.594 -12.051 -4.882 60 QZ LYS 5 QZ LYS 5 7.439 -12.950 -2.993 61 H LEU 6 H LEU 6 6.167 -5.389 -3.240 62 HA LEU 6 HA LEU 6 4.414 -4.478 -1.222 63 1HB LEU 6 2HB LEU 6 6.651 -3.466 -1.844 64 2HB LEU 6 1HB LEU 6 5.858 -2.863 -3.291 65 HG LEU 6 HG LEU 6 4.488 -1.355 -2.024 66 1HD1 LEU 6 3HD1 LEU 6 5.714 -2.624 0.432 67 2HD1 LEU 6 2HD1 LEU 6 4.678 -1.197 0.434 68 3HD1 LEU 6 1HD1 LEU 6 4.032 -2.758 -0.076 69 1HD2 LEU 6 2HD2 LEU 6 6.812 -0.673 -2.527 70 2HD2 LEU 6 1HD2 LEU 6 6.179 0.076 -1.059 71 3HD2 LEU 6 3HD2 LEU 6 7.297 -1.279 -0.945 72 MD1 LEU 6 QD1 LEU 6 4.808 -2.193 0.263 73 MD2 LEU 6 QD2 LEU 6 6.763 -0.625 -1.511 74 QB LEU 6 QB LEU 6 6.254 -3.165 -2.567 75 QD LEU 6 QQD LEU 6 5.785 -1.409 -0.624 76 H ASN 7 H ASN 7 4.433 -4.289 -4.753 77 HA ASN 7 HA ASN 7 2.061 -2.863 -5.094 78 1HB ASN 7 2HB ASN 7 3.663 -3.238 -6.923 79 2HB ASN 7 1HB ASN 7 3.334 -4.959 -6.881 80 1HD2 ASN 7 1HD2 ASN 7 0.786 -2.490 -6.668 81 2HD2 ASN 7 2HD2 ASN 7 0.111 -2.828 -8.203 82 QB ASN 7 QB ASN 7 3.499 -4.099 -6.902 83 QD ASN 7 QD2 ASN 7 0.449 -2.659 -7.436 84 H ASP 8 H ASP 8 2.733 -6.288 -4.775 85 HA ASP 8 HA ASP 8 0.176 -7.357 -5.061 86 1HB ASP 8 2HB ASP 8 2.115 -8.785 -5.031 87 2HB ASP 8 1HB ASP 8 2.520 -8.273 -3.396 88 QB ASP 8 QB ASP 8 2.318 -8.529 -4.214 89 H ARG 9 H ARG 9 1.715 -5.954 -2.236 90 HA ARG 9 HA ARG 9 -0.364 -6.549 -0.382 91 1HB ARG 9 2HB ARG 9 1.707 -4.351 -0.359 92 2HB ARG 9 1HB ARG 9 0.585 -4.651 0.958 93 1HG ARG 9 2HG ARG 9 1.537 -6.857 1.285 94 2HG ARG 9 1HG ARG 9 2.644 -6.582 -0.067 95 1HD ARG 9 2HD ARG 9 3.693 -6.204 2.128 96 2HD ARG 9 1HD ARG 9 3.689 -4.758 1.114 97 HE ARG 9 HE ARG 9 1.427 -4.860 2.798 98 1HH1 ARG 9 1HH1 ARG 9 4.917 -4.233 2.958 99 2HH1 ARG 9 2HH1 ARG 9 4.804 -3.086 4.216 100 1HH2 ARG 9 1HH2 ARG 9 1.267 -3.259 4.531 101 2HH2 ARG 9 2HH2 ARG 9 2.666 -2.546 5.149 102 QB ARG 9 QB ARG 9 1.146 -4.501 0.299 103 QG ARG 9 QG ARG 9 2.091 -6.720 0.609 104 QD ARG 9 QD ARG 9 3.691 -5.481 1.621 105 QH1 ARG 9 QH1 ARG 9 4.861 -3.660 3.587 106 QH2 ARG 9 QH2 ARG 9 1.967 -2.902 4.840 107 H ILE 10 H ILE 10 0.337 -3.762 -2.398 108 HA ILE 10 HA ILE 10 -1.807 -2.107 -1.659 109 HB ILE 10 HB ILE 10 -0.481 -2.371 -4.375 110 1HG1 ILE 10 2HG1 ILE 10 0.074 -0.424 -2.134 111 2HG1 ILE 10 1HG1 ILE 10 1.067 -1.832 -2.511 112 1HG2 ILE 10 3HG2 ILE 10 -2.635 -1.217 -4.546 113 2HG2 ILE 10 2HG2 ILE 10 -2.150 -0.110 -3.270 114 3HG2 ILE 10 1HG2 ILE 10 -1.300 -0.094 -4.814 115 1HD1 ILE 10 3HD1 ILE 10 0.575 0.532 -4.304 116 2HD1 ILE 10 2HD1 ILE 10 2.044 0.200 -3.382 117 3HD1 ILE 10 1HD1 ILE 10 1.566 -0.869 -4.700 118 MG ILE 10 QG2 ILE 10 -2.028 -0.474 -4.210 119 MD ILE 10 QD1 ILE 10 1.395 -0.046 -4.129 120 QG ILE 10 QG1 ILE 10 0.570 -1.128 -2.323 121 H GLU 11 H GLU 11 -1.494 -4.583 -4.131 122 HA GLU 11 HA GLU 11 -3.983 -4.341 -5.286 123 1HB GLU 11 2HB GLU 11 -2.108 -5.682 -6.195 124 2HB GLU 11 1HB GLU 11 -2.422 -6.888 -4.966 125 1HG GLU 11 2HG GLU 11 -4.645 -7.270 -5.822 126 2HG GLU 11 1HG GLU 11 -4.415 -6.016 -7.030 127 QB GLU 11 QB GLU 11 -2.265 -6.285 -5.580 128 QG GLU 11 QG GLU 11 -4.530 -6.643 -6.426 129 H ALA 12 H ALA 12 -2.908 -6.352 -2.603 130 HA ALA 12 HA ALA 12 -5.237 -7.774 -2.116 131 1HB ALA 12 2HB ALA 12 -3.044 -8.232 -1.120 132 2HB ALA 12 3HB ALA 12 -4.339 -8.192 0.090 133 3HB ALA 12 1HB ALA 12 -3.234 -6.822 -0.086 134 MB ALA 12 QB ALA 12 -3.539 -7.749 -0.372 135 H LYS 13 H LYS 13 -4.341 -4.529 -1.096 136 HA LYS 13 HA LYS 13 -6.611 -4.199 0.624 137 1HB LYS 13 2HB LYS 13 -4.471 -2.364 -0.388 138 2HB LYS 13 1HB LYS 13 -5.945 -1.661 0.248 139 1HG LYS 13 2HG LYS 13 -4.171 -1.743 1.930 140 2HG LYS 13 1HG LYS 13 -5.556 -2.717 2.401 141 1HD LYS 13 2HD LYS 13 -4.362 -4.737 1.672 142 2HD LYS 13 1HD LYS 13 -2.977 -3.746 1.215 143 1HE LYS 13 2HE LYS 13 -2.674 -4.802 3.418 144 2HE LYS 13 1HE LYS 13 -2.677 -3.044 3.508 145 1HZ LYS 13 3HZ LYS 13 -5.099 -4.665 4.058 146 2HZ LYS 13 2HZ LYS 13 -4.030 -4.193 5.273 147 3HZ LYS 13 1HZ LYS 13 -4.844 -3.034 4.383 148 QB LYS 13 QB LYS 13 -5.208 -2.013 -0.070 149 QD LYS 13 QD LYS 13 -3.669 -4.242 1.444 150 QG LYS 13 QG LYS 13 -4.864 -2.230 2.165 151 QE LYS 13 QE LYS 13 -2.675 -3.923 3.463 152 QZ LYS 13 QZ LYS 13 -4.658 -3.964 4.571 153 H LYS 14 H LYS 14 -5.816 -3.290 -2.671 154 HA LYS 14 HA LYS 14 -8.199 -1.810 -2.943 155 1HB LYS 14 2HB LYS 14 -7.571 -1.385 -5.210 156 2HB LYS 14 1HB LYS 14 -6.155 -1.295 -4.188 157 1HG LYS 14 2HG LYS 14 -5.707 -3.681 -4.906 158 2HG LYS 14 1HG LYS 14 -6.878 -3.384 -6.189 159 1HD LYS 14 2HD LYS 14 -4.350 -1.825 -5.665 160 2HD LYS 14 1HD LYS 14 -4.654 -2.892 -7.033 161 1HE LYS 14 2HE LYS 14 -6.452 -1.390 -7.797 162 2HE LYS 14 1HE LYS 14 -6.142 -0.350 -6.404 163 1HZ LYS 14 1HZ LYS 14 -4.173 -0.922 -8.544 164 2HZ LYS 14 3HZ LYS 14 -5.123 0.471 -8.436 165 3HZ LYS 14 2HZ LYS 14 -3.982 0.161 -7.256 166 QB LYS 14 QB LYS 14 -6.863 -1.340 -4.699 167 QD LYS 14 QD LYS 14 -4.502 -2.359 -6.349 168 QG LYS 14 QG LYS 14 -6.293 -3.532 -5.548 169 QE LYS 14 QE LYS 14 -6.297 -0.870 -7.100 170 QZ LYS 14 QZ LYS 14 -4.426 -0.097 -8.079 171 H LYS 15 H LYS 15 -7.361 -5.123 -3.586 172 HA LYS 15 HA LYS 15 -9.693 -5.826 -5.074 173 1HB LYS 15 2HB LYS 15 -7.941 -7.529 -3.279 174 2HB LYS 15 1HB LYS 15 -9.190 -8.169 -4.322 175 1HG LYS 15 2HG LYS 15 -6.747 -6.675 -5.265 176 2HG LYS 15 1HG LYS 15 -6.901 -8.428 -5.213 177 1HD LYS 15 2HD LYS 15 -8.641 -6.569 -6.850 178 2HD LYS 15 1HD LYS 15 -7.274 -7.488 -7.470 179 1HE LYS 15 2HE LYS 15 -9.802 -8.636 -6.275 180 2HE LYS 15 1HE LYS 15 -9.378 -8.600 -7.979 181 1HZ LYS 15 1HZ LYS 15 -7.882 -10.127 -5.883 182 2HZ LYS 15 3HZ LYS 15 -8.945 -10.751 -7.026 183 3HZ LYS 15 2HZ LYS 15 -7.506 -10.076 -7.523 184 QB LYS 15 QB LYS 15 -8.566 -7.849 -3.800 185 QD LYS 15 QD LYS 15 -7.957 -7.029 -7.160 186 QG LYS 15 QG LYS 15 -6.824 -7.551 -5.239 187 QE LYS 15 QE LYS 15 -9.590 -8.618 -7.127 188 QZ LYS 15 QZ LYS 15 -8.111 -10.318 -6.811 189 H GLU 16 H GLU 16 -8.944 -5.490 -1.700 190 HA GLU 16 HA GLU 16 -11.277 -6.797 -0.672 191 1HB GLU 16 2HB GLU 16 -9.088 -6.427 0.574 192 2HB GLU 16 1HB GLU 16 -9.524 -4.729 0.675 193 1HG GLU 16 2HG GLU 16 -10.086 -5.732 2.745 194 2HG GLU 16 1HG GLU 16 -11.593 -5.421 1.886 195 QB GLU 16 QB GLU 16 -9.306 -5.578 0.625 196 QG GLU 16 QG GLU 16 -10.840 -5.576 2.315 197 H LEU 17 H LEU 17 -10.162 -3.559 -1.355 198 HA LEU 17 HA LEU 17 -12.341 -2.064 -0.630 199 1HB LEU 17 2HB LEU 17 -10.276 -1.793 -2.704 200 2HB LEU 17 1HB LEU 17 -11.602 -0.674 -2.736 201 HG LEU 17 HG LEU 17 -9.608 -1.078 -0.485 202 1HD1 LEU 17 2HD1 LEU 17 -8.786 0.157 -2.450 203 2HD1 LEU 17 1HD1 LEU 17 -10.134 1.277 -2.288 204 3HD1 LEU 17 3HD1 LEU 17 -8.911 1.183 -1.019 205 1HD2 LEU 17 1HD2 LEU 17 -11.989 0.731 -0.697 206 2HD2 LEU 17 3HD2 LEU 17 -11.765 -0.555 0.494 207 3HD2 LEU 17 2HD2 LEU 17 -10.737 0.885 0.524 208 MD1 LEU 17 QD1 LEU 17 -9.277 0.873 -1.919 209 MD2 LEU 17 QD2 LEU 17 -11.497 0.354 0.107 210 QB LEU 17 QB LEU 17 -10.939 -1.233 -2.720 211 QD LEU 17 QQD LEU 17 -10.387 0.613 -0.906 212 H ILE 18 H ILE 18 -11.835 -3.782 -3.665 213 HA ILE 18 HA ILE 18 -14.135 -2.918 -4.983 214 HB ILE 18 HB ILE 18 -12.825 -5.653 -5.145 215 1HG1 ILE 18 2HG1 ILE 18 -12.442 -3.189 -6.852 216 2HG1 ILE 18 1HG1 ILE 18 -11.328 -3.740 -5.613 217 1HG2 ILE 18 1HG2 ILE 18 -15.103 -5.657 -6.092 218 2HG2 ILE 18 3HG2 ILE 18 -14.672 -4.291 -7.123 219 3HG2 ILE 18 2HG2 ILE 18 -13.880 -5.853 -7.343 220 1HD1 ILE 18 1HD1 ILE 18 -10.951 -5.801 -6.897 221 2HD1 ILE 18 3HD1 ILE 18 -12.056 -5.211 -8.137 222 3HD1 ILE 18 2HD1 ILE 18 -10.546 -4.356 -7.823 223 MG ILE 18 QG2 ILE 18 -14.552 -5.267 -6.853 224 MD ILE 18 QD1 ILE 18 -11.184 -5.122 -7.619 225 QG ILE 18 QG1 ILE 18 -11.885 -3.465 -6.232 226 H TYR 19 H TYR 19 -13.687 -5.507 -2.645 227 HA TYR 19 HA TYR 19 -16.392 -6.424 -2.672 228 1HB TYR 19 2HB TYR 19 -14.769 -7.967 -1.828 229 2HB TYR 19 1HB TYR 19 -14.107 -6.774 -0.717 230 HD1 TYR 19 1HD TYR 19 -14.951 -6.560 1.470 231 HD2 TYR 19 2HD TYR 19 -17.082 -8.925 -1.353 232 HE1 TYR 19 1HE TYR 19 -16.396 -7.377 3.266 233 HE2 TYR 19 2HE TYR 19 -18.544 -9.756 0.453 234 HH TYR 19 HH TYR 19 -18.348 -10.031 2.958 235 QB TYR 19 QB TYR 19 -14.438 -7.371 -1.273 236 QD TYR 19 QD TYR 19 -16.017 -7.742 0.058 237 QE TYR 19 QE TYR 19 -17.470 -8.566 1.860 238 QR TYR 19 QR TYR 19 -16.743 -8.154 0.959 239 H LEU 20 H LEU 20 -14.580 -4.244 -0.600 240 HA LEU 20 HA LEU 20 -16.617 -3.674 1.227 241 1HB LEU 20 2HB LEU 20 -14.250 -2.002 0.422 242 2HB LEU 20 1HB LEU 20 -15.246 -1.713 1.835 243 HG LEU 20 HG LEU 20 -13.674 -4.250 1.395 244 1HD1 LEU 20 2HD1 LEU 20 -12.972 -1.828 3.020 245 2HD1 LEU 20 1HD1 LEU 20 -12.116 -3.373 3.044 246 3HD1 LEU 20 3HD1 LEU 20 -12.148 -2.406 1.573 247 1HD2 LEU 20 1HD2 LEU 20 -15.588 -4.506 2.897 248 2HD2 LEU 20 3HD2 LEU 20 -14.067 -4.595 3.784 249 3HD2 LEU 20 2HD2 LEU 20 -15.027 -3.122 3.842 250 MD1 LEU 20 QD1 LEU 20 -12.412 -2.536 2.546 251 MD2 LEU 20 QD2 LEU 20 -14.894 -4.074 3.508 252 QB LEU 20 QB LEU 20 -14.748 -1.857 1.128 253 QD LEU 20 QQD LEU 20 -13.653 -3.305 3.027 254 H VAL 21 H VAL 21 -15.758 -2.054 -1.784 255 HA VAL 21 HA VAL 21 -17.651 0.023 -1.599 256 HB VAL 21 HB VAL 21 -16.473 -1.298 -4.077 257 1HG1 VAL 21 1HG1 VAL 21 -17.956 1.323 -3.841 258 2HG1 VAL 21 3HG1 VAL 21 -17.137 0.729 -5.284 259 3HG1 VAL 21 2HG1 VAL 21 -18.540 -0.130 -4.651 260 1HG2 VAL 21 1HG2 VAL 21 -14.811 -0.252 -2.640 261 2HG2 VAL 21 3HG2 VAL 21 -14.998 0.650 -4.142 262 3HG2 VAL 21 2HG2 VAL 21 -15.731 1.256 -2.656 263 MG1 VAL 21 QG1 VAL 21 -17.878 0.641 -4.592 264 MG2 VAL 21 QG2 VAL 21 -15.180 0.551 -3.146 265 QG VAL 21 QQG VAL 21 -16.529 0.596 -3.869 266 H GLU 22 H GLU 22 -17.935 -3.280 -2.782 267 HA GLU 22 HA GLU 22 -20.598 -3.028 -3.739 268 1HB GLU 22 2HB GLU 22 -19.113 -5.467 -2.751 269 2HB GLU 22 1HB GLU 22 -20.677 -5.509 -3.543 270 1HG GLU 22 2HG GLU 22 -18.098 -4.556 -4.762 271 2HG GLU 22 1HG GLU 22 -18.888 -6.101 -5.067 272 QB GLU 22 QB GLU 22 -19.895 -5.488 -3.147 273 QG GLU 22 QG GLU 22 -18.493 -5.329 -4.914 274 H LYS 23 H LYS 23 -19.191 -3.863 -0.634 275 HA LYS 23 HA LYS 23 -21.577 -4.733 0.569 276 1HB LYS 23 2HB LYS 23 -19.266 -5.488 1.041 277 2HB LYS 23 1HB LYS 23 -18.958 -3.927 1.785 278 1HG LYS 23 2HG LYS 23 -20.719 -4.329 3.341 279 2HG LYS 23 1HG LYS 23 -21.000 -5.924 2.623 280 1HD LYS 23 2HD LYS 23 -18.556 -6.415 3.120 281 2HD LYS 23 1HD LYS 23 -18.555 -4.948 4.099 282 1HE LYS 23 2HE LYS 23 -18.921 -6.827 5.540 283 2HE LYS 23 1HE LYS 23 -20.424 -5.912 5.426 284 1HZ LYS 23 1HZ LYS 23 -19.785 -8.351 3.871 285 2HZ LYS 23 3HZ LYS 23 -20.775 -8.314 5.235 286 3HZ LYS 23 2HZ LYS 23 -21.250 -7.528 3.821 287 QB LYS 23 QB LYS 23 -19.112 -4.707 1.413 288 QD LYS 23 QD LYS 23 -18.556 -5.682 3.610 289 QG LYS 23 QG LYS 23 -20.859 -5.126 2.982 290 QE LYS 23 QE LYS 23 -19.673 -6.370 5.483 291 QZ LYS 23 QZ LYS 23 -20.603 -8.065 4.309 292 H TYR 24 H TYR 24 -19.636 -1.733 0.789 293 HA TYR 24 HA TYR 24 -21.692 -0.662 2.584 294 1HB TYR 24 2HB TYR 24 -18.813 0.186 2.263 295 2HB TYR 24 1HB TYR 24 -19.979 0.965 3.331 296 HD1 TYR 24 1HD TYR 24 -17.488 -1.534 3.107 297 HD2 TYR 24 2HD TYR 24 -21.169 -0.617 5.026 298 HE1 TYR 24 1HE TYR 24 -16.994 -3.201 4.850 299 HE2 TYR 24 2HE TYR 24 -20.682 -2.269 6.768 300 HH TYR 24 HH TYR 24 -17.630 -3.723 7.160 301 QB TYR 24 QB TYR 24 -19.396 0.576 2.797 302 QD TYR 24 QD TYR 24 -19.328 -1.075 4.066 303 QE TYR 24 QE TYR 24 -18.838 -2.735 5.809 304 QR TYR 24 QR TYR 24 -19.083 -1.905 4.937 305 H GLY 25 H GLY 25 -20.422 -0.255 -0.557 306 1HA GLY 25 1HA GLY 25 -22.051 2.166 -0.782 307 2HA GLY 25 2HA GLY 25 -21.733 1.022 -2.082 308 QA GLY 25 QA GLY 25 -21.892 1.594 -1.432 309 H PHE 26 H PHE 26 -21.328 3.334 -2.872 310 HA PHE 26 HA PHE 26 -18.443 3.651 -3.072 311 1HB PHE 26 2HB PHE 26 -20.728 4.974 -4.575 312 2HB PHE 26 1HB PHE 26 -19.027 5.260 -4.884 313 HD1 PHE 26 1HD PHE 26 -17.838 3.874 -6.370 314 HD2 PHE 26 2HD PHE 26 -21.651 2.653 -4.973 315 HE1 PHE 26 1HE PHE 26 -17.849 2.064 -8.025 316 HE2 PHE 26 2HE PHE 26 -21.671 0.820 -6.624 317 HZ PHE 26 HZ PHE 26 -19.760 0.536 -8.156 318 QB PHE 26 QB PHE 26 -19.878 5.117 -4.730 319 QD PHE 26 QD PHE 26 -19.744 3.263 -5.672 320 QE PHE 26 QE PHE 26 -19.760 1.442 -7.324 321 QR PHE 26 QR PHE 26 -19.754 1.989 -6.829 322 H THR 27 H THR 27 -17.395 5.327 -2.157 323 HA THR 27 HA THR 27 -16.929 7.078 -0.895 324 HB THR 27 HB THR 27 -19.640 8.209 -1.681 325 HG1 THR 27 1HG THR 27 -18.822 8.430 -3.570 326 1HG2 THR 27 1HG2 THR 27 -18.503 9.414 0.158 327 2HG2 THR 27 3HG2 THR 27 -17.059 9.568 -0.842 328 3HG2 THR 27 2HG2 THR 27 -18.547 10.389 -1.312 329 MG THR 27 QG2 THR 27 -18.036 9.790 -0.665 330 H HIS 28 H HIS 28 -16.950 5.657 0.791 331 HA HIS 28 HA HIS 28 -18.940 6.280 2.840 332 1HB HIS 28 2HB HIS 28 -19.332 4.013 1.584 333 2HB HIS 28 1HB HIS 28 -17.867 3.476 2.391 334 HD1 HIS 28 1HD HIS 28 -21.347 3.127 2.737 335 HD2 HIS 28 2HD HIS 28 -18.284 4.035 5.391 336 HE1 HIS 28 1HE HIS 28 -22.215 2.573 5.020 337 QB HIS 28 QB HIS 28 -18.599 3.744 1.987 338 H HIS 29 H HIS 29 -17.852 6.551 4.833 339 HA HIS 29 HA HIS 29 -15.115 7.099 4.566 340 1HB HIS 29 2HB HIS 29 -16.766 7.043 7.092 341 2HB HIS 29 1HB HIS 29 -15.075 7.515 7.047 342 HD1 HIS 29 1HD HIS 29 -14.524 9.858 6.094 343 HD2 HIS 29 2HD HIS 29 -18.541 8.827 5.861 344 HE1 HIS 29 1HE HIS 29 -15.751 11.966 5.475 345 QB HIS 29 QB HIS 29 -15.920 7.279 7.069 346 H LYS 30 H LYS 30 -16.640 4.249 5.706 347 HA LYS 30 HA LYS 30 -14.470 2.901 6.871 348 1HB LYS 30 2HB LYS 30 -16.579 1.763 5.007 349 2HB LYS 30 1HB LYS 30 -15.531 0.809 6.038 350 1HG LYS 30 2HG LYS 30 -17.571 2.793 7.024 351 2HG LYS 30 1HG LYS 30 -17.828 1.053 6.902 352 1HD LYS 30 2HD LYS 30 -16.002 0.674 8.470 353 2HD LYS 30 1HD LYS 30 -15.729 2.414 8.581 354 1HE LYS 30 2HE LYS 30 -17.985 2.716 9.460 355 2HE LYS 30 1HE LYS 30 -18.276 0.985 9.340 356 1HZ LYS 30 1HZ LYS 30 -16.204 2.253 11.039 357 2HZ LYS 30 3HZ LYS 30 -17.689 1.711 11.578 358 3HZ LYS 30 2HZ LYS 30 -16.570 0.605 11.002 359 QB LYS 30 QB LYS 30 -16.055 1.286 5.522 360 QD LYS 30 QD LYS 30 -15.866 1.544 8.525 361 QG LYS 30 QG LYS 30 -17.699 1.923 6.963 362 QE LYS 30 QE LYS 30 -18.131 1.851 9.400 363 QZ LYS 30 QZ LYS 30 -16.821 1.523 11.206 364 H VAL 31 H VAL 31 -15.540 3.010 3.526 365 HA VAL 31 HA VAL 31 -13.450 1.540 2.365 366 HB VAL 31 HB VAL 31 -15.329 3.576 1.122 367 1HG1 VAL 31 1HG1 VAL 31 -13.367 3.073 -0.299 368 2HG1 VAL 31 3HG1 VAL 31 -13.793 1.359 -0.212 369 3HG1 VAL 31 2HG1 VAL 31 -14.884 2.500 -0.993 370 1HG2 VAL 31 3HG2 VAL 31 -16.513 1.768 2.248 371 2HG2 VAL 31 2HG2 VAL 31 -16.686 1.625 0.495 372 3HG2 VAL 31 1HG2 VAL 31 -15.560 0.582 1.366 373 MG1 VAL 31 QG1 VAL 31 -14.015 2.311 -0.501 374 MG2 VAL 31 QG2 VAL 31 -16.253 1.325 1.369 375 QG VAL 31 QQG VAL 31 -15.134 1.818 0.434 376 H ILE 32 H ILE 32 -14.007 5.011 2.754 377 HA ILE 32 HA ILE 32 -11.772 5.962 1.366 378 HB ILE 32 HB ILE 32 -13.157 7.230 3.755 379 1HG1 ILE 32 2HG1 ILE 32 -13.539 7.696 0.781 380 2HG1 ILE 32 1HG1 ILE 32 -14.637 6.790 1.814 381 1HG2 ILE 32 3HG2 ILE 32 -11.295 8.469 1.720 382 2HG2 ILE 32 2HG2 ILE 32 -12.200 9.355 2.944 383 3HG2 ILE 32 1HG2 ILE 32 -10.948 8.209 3.430 384 1HD1 ILE 32 3HD1 ILE 32 -15.095 8.828 3.097 385 2HD1 ILE 32 2HD1 ILE 32 -14.000 9.726 2.050 386 3HD1 ILE 32 1HD1 ILE 32 -15.478 9.023 1.386 387 MG ILE 32 QG2 ILE 32 -11.481 8.677 2.698 388 MD ILE 32 QD1 ILE 32 -14.858 9.192 2.178 389 QG ILE 32 QG1 ILE 32 -14.088 7.243 1.298 390 H SER 33 H SER 33 -12.082 5.016 4.772 391 HA SER 33 HA SER 33 -9.526 5.780 5.576 392 1HB SER 33 2HB SER 33 -11.313 3.587 6.630 393 2HB SER 33 1HB SER 33 -9.902 4.243 7.473 394 HG SER 33 HG SER 33 -12.396 5.411 6.947 395 QB SER 33 QB SER 33 -10.607 3.915 7.051 396 H PHE 34 H PHE 34 -10.670 2.729 4.156 397 HA PHE 34 HA PHE 34 -8.120 1.463 4.293 398 1HB PHE 34 2HB PHE 34 -10.492 0.884 2.522 399 2HB PHE 34 1HB PHE 34 -9.045 -0.113 2.564 400 HD1 PHE 34 1HD PHE 34 -8.441 -1.102 4.902 401 HD2 PHE 34 2HD PHE 34 -12.263 0.428 3.858 402 HE1 PHE 34 1HE PHE 34 -9.468 -2.447 6.692 403 HE2 PHE 34 2HE PHE 34 -13.299 -0.887 5.618 404 HZ PHE 34 HZ PHE 34 -11.904 -2.339 7.059 405 QB PHE 34 QB PHE 34 -9.769 0.386 2.543 406 QD PHE 34 QD PHE 34 -10.352 -0.337 4.380 407 QE PHE 34 QE PHE 34 -11.384 -1.667 6.155 408 QR PHE 34 QR PHE 34 -11.075 -1.270 5.626 409 H SER 35 H SER 35 -9.679 3.580 2.011 410 HA SER 35 HA SER 35 -7.856 3.229 -0.123 411 1HB SER 35 2HB SER 35 -9.498 5.694 0.556 412 2HB SER 35 1HB SER 35 -8.789 5.315 -1.015 413 HG SER 35 HG SER 35 -10.653 3.598 0.271 414 QB SER 35 QB SER 35 -9.143 5.504 -0.230 415 H GLN 36 H GLN 36 -7.921 5.304 2.711 416 HA GLN 36 HA GLN 36 -5.596 6.817 2.122 417 1HB GLN 36 2HB GLN 36 -6.836 6.130 4.787 418 2HB GLN 36 1HB GLN 36 -5.582 7.337 4.555 419 1HG GLN 36 2HG GLN 36 -8.355 7.429 3.377 420 2HG GLN 36 1HG GLN 36 -7.835 8.270 4.829 421 1HE2 GLN 36 1HE2 GLN 36 -8.301 10.236 4.024 422 2HE2 GLN 36 2HE2 GLN 36 -7.396 11.015 2.779 423 QB GLN 36 QB GLN 36 -6.209 6.733 4.671 424 QG GLN 36 QG GLN 36 -8.095 7.849 4.103 425 QE GLN 36 QE2 GLN 36 -7.848 10.626 3.402 426 H GLU 37 H GLU 37 -6.127 3.681 3.516 427 HA GLU 37 HA GLU 37 -3.456 3.345 4.480 428 1HB GLU 37 2HB GLU 37 -5.342 2.084 5.431 429 2HB GLU 37 1HB GLU 37 -5.609 1.300 3.882 430 1HG GLU 37 2HG GLU 37 -3.432 0.230 4.038 431 2HG GLU 37 1HG GLU 37 -3.144 1.027 5.586 432 QB GLU 37 QB GLU 37 -5.476 1.692 4.656 433 QG GLU 37 QG GLU 37 -3.288 0.629 4.812 434 H LEU 38 H LEU 38 -5.282 2.305 1.650 435 HA LEU 38 HA LEU 38 -3.293 0.956 0.236 436 1HB LEU 38 2HB LEU 38 -5.765 1.125 -0.309 437 2HB LEU 38 1HB LEU 38 -5.470 2.737 -0.900 438 HG LEU 38 HG LEU 38 -4.361 0.199 -2.158 439 1HD1 LEU 38 1HD1 LEU 38 -6.683 1.932 -2.874 440 2HD1 LEU 38 3HD1 LEU 38 -5.977 0.712 -3.927 441 3HD1 LEU 38 2HD1 LEU 38 -6.698 0.228 -2.388 442 1HD2 LEU 38 1HD2 LEU 38 -2.974 2.198 -2.649 443 2HD2 LEU 38 3HD2 LEU 38 -3.819 1.606 -4.076 444 3HD2 LEU 38 2HD2 LEU 38 -4.411 3.038 -3.227 445 MD1 LEU 38 QD1 LEU 38 -6.453 0.957 -3.063 446 MD2 LEU 38 QD2 LEU 38 -3.735 2.280 -3.317 447 QB LEU 38 QB LEU 38 -5.617 1.931 -0.604 448 QD LEU 38 QQD LEU 38 -5.094 1.619 -3.190 449 H ASP 39 H ASP 39 -4.201 4.358 0.272 450 HA ASP 39 HA ASP 39 -2.404 5.410 -1.558 451 1HB ASP 39 2HB ASP 39 -4.340 6.592 -0.510 452 2HB ASP 39 1HB ASP 39 -3.402 6.736 0.969 453 QB ASP 39 QB ASP 39 -3.871 6.664 0.230 454 H ARG 40 H ARG 40 -1.993 4.758 1.882 455 HA ARG 40 HA ARG 40 0.590 5.823 2.222 456 1HB ARG 40 2HB ARG 40 -0.727 5.190 4.150 457 2HB ARG 40 1HB ARG 40 -0.788 3.520 3.616 458 1HG ARG 40 2HG ARG 40 0.782 3.510 5.339 459 2HG ARG 40 1HG ARG 40 1.755 3.525 3.873 460 1HD ARG 40 2HD ARG 40 1.157 5.838 5.714 461 2HD ARG 40 1HD ARG 40 2.702 5.034 5.502 462 HE ARG 40 HE ARG 40 1.387 6.838 3.605 463 1HH1 ARG 40 1HH1 ARG 40 4.350 5.145 4.595 464 2HH1 ARG 40 2HH1 ARG 40 5.359 6.157 3.648 465 1HH2 ARG 40 1HH2 ARG 40 2.863 8.236 2.391 466 2HH2 ARG 40 2HH2 ARG 40 4.541 7.905 2.468 467 QB ARG 40 QB ARG 40 -0.758 4.355 3.883 468 QG ARG 40 QG ARG 40 1.269 3.517 4.606 469 QD ARG 40 QD ARG 40 1.929 5.436 5.608 470 QH1 ARG 40 QH1 ARG 40 4.854 5.651 4.121 471 QH2 ARG 40 QH2 ARG 40 3.702 8.071 2.430 472 H LEU 41 H LEU 41 -0.439 2.504 1.421 473 HA LEU 41 HA LEU 41 2.189 1.497 1.163 474 1HB LEU 41 2HB LEU 41 -0.485 0.439 0.317 475 2HB LEU 41 1HB LEU 41 0.982 -0.352 -0.217 476 HG LEU 41 HG LEU 41 1.596 -0.801 2.129 477 1HD1 LEU 41 3HD1 LEU 41 0.474 1.076 3.205 478 2HD1 LEU 41 2HD1 LEU 41 -1.089 0.357 2.824 479 3HD1 LEU 41 1HD1 LEU 41 0.009 -0.462 3.932 480 1HD2 LEU 41 3HD2 LEU 41 0.359 -2.444 0.839 481 2HD2 LEU 41 2HD2 LEU 41 -0.086 -2.510 2.543 482 3HD2 LEU 41 1HD2 LEU 41 -1.163 -1.737 1.374 483 MD1 LEU 41 QD1 LEU 41 -0.202 0.324 3.320 484 MD2 LEU 41 QD2 LEU 41 -0.297 -2.230 1.585 485 QB LEU 41 QB LEU 41 0.249 0.044 0.050 486 QD LEU 41 QQD LEU 41 -0.249 -0.953 2.453 487 H LEU 42 H LEU 42 -0.004 2.953 -1.063 488 HA LEU 42 HA LEU 42 1.431 2.427 -3.423 489 1HB LEU 42 2HB LEU 42 -0.952 3.180 -3.272 490 2HB LEU 42 1HB LEU 42 -0.397 4.748 -2.752 491 HG LEU 42 HG LEU 42 0.324 3.646 -5.472 492 1HD1 LEU 42 2HD1 LEU 42 -2.093 5.284 -4.697 493 2HD1 LEU 42 1HD1 LEU 42 -1.598 4.888 -6.344 494 3HD1 LEU 42 3HD1 LEU 42 -2.114 3.609 -5.244 495 1HD2 LEU 42 2HD2 LEU 42 0.087 6.459 -4.380 496 2HD2 LEU 42 1HD2 LEU 42 1.593 5.598 -4.697 497 3HD2 LEU 42 3HD2 LEU 42 0.525 6.026 -6.032 498 MD1 LEU 42 QD1 LEU 42 -1.935 4.594 -5.428 499 MD2 LEU 42 QD2 LEU 42 0.735 6.028 -5.036 500 QB LEU 42 QB LEU 42 -0.675 3.964 -3.012 501 QD LEU 42 QQD LEU 42 -0.600 5.311 -5.232 502 H ASN 43 H ASN 43 1.543 5.040 -1.063 503 HA ASN 43 HA ASN 43 3.493 6.625 -2.365 504 1HB ASN 43 2HB ASN 43 2.966 6.405 0.596 505 2HB ASN 43 1HB ASN 43 4.001 7.602 -0.154 506 1HD2 ASN 43 1HD2 ASN 43 2.076 7.917 -2.424 507 2HD2 ASN 43 2HD2 ASN 43 0.775 8.818 -1.755 508 QB ASN 43 QB ASN 43 3.483 7.003 0.221 509 QD ASN 43 QD2 ASN 43 1.425 8.368 -2.089 510 H LEU 44 H LEU 44 3.725 3.778 -0.436 511 HA LEU 44 HA LEU 44 6.433 3.973 0.282 512 1HB LEU 44 2HB LEU 44 4.757 1.514 -0.182 513 2HB LEU 44 1HB LEU 44 6.356 1.500 0.544 514 HG LEU 44 HG LEU 44 3.898 2.817 1.695 515 1HD1 LEU 44 2HD1 LEU 44 3.837 0.364 1.781 516 2HD1 LEU 44 1HD1 LEU 44 5.411 0.363 2.573 517 3HD1 LEU 44 3HD1 LEU 44 4.016 1.076 3.385 518 1HD2 LEU 44 1HD2 LEU 44 6.687 2.537 2.818 519 2HD2 LEU 44 3HD2 LEU 44 5.926 4.038 2.286 520 3HD2 LEU 44 2HD2 LEU 44 5.283 3.181 3.674 521 MD1 LEU 44 QD1 LEU 44 4.421 0.601 2.579 522 MD2 LEU 44 QD2 LEU 44 5.965 3.252 2.926 523 QB LEU 44 QB LEU 44 5.556 1.507 0.181 524 QD LEU 44 QQD LEU 44 5.193 1.927 2.753 525 H LEU 45 H LEU 45 4.909 2.902 -2.671 526 HA LEU 45 HA LEU 45 7.230 1.844 -3.923 527 1HB LEU 45 2HB LEU 45 4.810 3.190 -5.139 528 2HB LEU 45 1HB LEU 45 6.057 2.385 -6.062 529 HG LEU 45 HG LEU 45 4.216 1.026 -4.088 530 1HD1 LEU 45 3HD1 LEU 45 4.222 1.069 -7.107 531 2HD1 LEU 45 2HD1 LEU 45 3.173 0.076 -6.095 532 3HD1 LEU 45 1HD1 LEU 45 3.027 1.831 -6.061 533 1HD2 LEU 45 2HD2 LEU 45 6.419 -0.066 -4.342 534 2HD2 LEU 45 1HD2 LEU 45 5.112 -1.039 -5.033 535 3HD2 LEU 45 3HD2 LEU 45 6.180 -0.108 -6.079 536 MD1 LEU 45 QD1 LEU 45 3.474 0.992 -6.421 537 MD2 LEU 45 QD2 LEU 45 5.904 -0.404 -5.152 538 QB LEU 45 QB LEU 45 5.433 2.788 -5.600 539 QD LEU 45 QQD LEU 45 4.689 0.294 -5.786 540 H ILE 46 H ILE 46 5.846 5.026 -3.668 541 HA ILE 46 HA ILE 46 7.768 6.280 -5.351 542 HB ILE 46 HB ILE 46 5.671 7.438 -3.478 543 1HG1 ILE 46 2HG1 ILE 46 4.729 8.395 -5.601 544 2HG1 ILE 46 1HG1 ILE 46 5.948 7.510 -6.498 545 1HG2 ILE 46 2HG2 ILE 46 7.547 8.963 -3.394 546 2HG2 ILE 46 1HG2 ILE 46 7.601 9.030 -5.155 547 3HG2 ILE 46 3HG2 ILE 46 6.209 9.685 -4.290 548 1HD1 ILE 46 3HD1 ILE 46 3.751 6.324 -4.820 549 2HD1 ILE 46 2HD1 ILE 46 3.788 6.417 -6.581 550 3HD1 ILE 46 1HD1 ILE 46 4.961 5.414 -5.722 551 MG ILE 46 QG2 ILE 46 7.119 9.226 -4.280 552 MD ILE 46 QD1 ILE 46 4.167 6.052 -5.707 553 QG ILE 46 QG1 ILE 46 5.338 7.953 -6.049 554 H GLU 47 H GLU 47 7.401 5.918 -1.847 555 HA GLU 47 HA GLU 47 9.662 7.455 -1.214 556 1HB GLU 47 2HB GLU 47 8.356 5.255 0.387 557 2HB GLU 47 1HB GLU 47 9.699 6.214 0.985 558 1HG GLU 47 2HG GLU 47 8.240 8.251 0.570 559 2HG GLU 47 1HG GLU 47 6.908 7.120 0.342 560 QB GLU 47 QB GLU 47 9.027 5.735 0.686 561 QG GLU 47 QG GLU 47 7.574 7.686 0.456 562 H LEU 48 H LEU 48 9.371 4.050 -2.044 563 HA LEU 48 HA LEU 48 12.079 3.413 -1.500 564 1HB LEU 48 2HB LEU 48 10.294 1.774 -1.809 565 2HB LEU 48 1HB LEU 48 10.259 2.172 -3.516 566 HG LEU 48 HG LEU 48 12.454 1.265 -3.869 567 1HD1 LEU 48 1HD1 LEU 48 12.565 0.894 -0.854 568 2HD1 LEU 48 3HD1 LEU 48 13.755 0.301 -2.006 569 3HD1 LEU 48 2HD1 LEU 48 13.547 2.031 -1.779 570 1HD2 LEU 48 2HD2 LEU 48 10.589 -0.239 -3.731 571 2HD2 LEU 48 1HD2 LEU 48 12.092 -1.010 -3.140 572 3HD2 LEU 48 3HD2 LEU 48 10.907 -0.371 -1.987 573 MD1 LEU 48 QD1 LEU 48 13.289 1.075 -1.547 574 MD2 LEU 48 QD2 LEU 48 11.196 -0.540 -2.953 575 QB LEU 48 QB LEU 48 10.277 1.973 -2.662 576 QD LEU 48 QQD LEU 48 12.242 0.267 -2.250 577 H LYS 49 H LYS 49 10.403 4.630 -4.310 578 HA LYS 49 HA LYS 49 12.558 4.683 -6.119 579 1HB LYS 49 2HB LYS 49 10.179 4.908 -6.791 580 2HB LYS 49 1HB LYS 49 10.089 6.404 -5.886 581 1HG LYS 49 2HG LYS 49 12.026 6.263 -8.140 582 2HG LYS 49 1HG LYS 49 10.307 6.377 -8.512 583 1HD LYS 49 2HD LYS 49 10.152 8.396 -7.123 584 2HD LYS 49 1HD LYS 49 11.877 8.286 -6.781 585 1HE LYS 49 2HE LYS 49 12.379 8.568 -9.147 586 2HE LYS 49 1HE LYS 49 10.658 8.602 -9.519 587 1HZ LYS 49 1HZ LYS 49 12.053 10.582 -7.795 588 2HZ LYS 49 3HZ LYS 49 11.682 10.821 -9.410 589 3HZ LYS 49 2HZ LYS 49 10.444 10.659 -8.287 590 QB LYS 49 QB LYS 49 10.134 5.656 -6.339 591 QD LYS 49 QD LYS 49 11.015 8.341 -6.952 592 QG LYS 49 QG LYS 49 11.167 6.320 -8.326 593 QE LYS 49 QE LYS 49 11.519 8.585 -9.333 594 QZ LYS 49 QZ LYS 49 11.393 10.688 -8.497 595 H THR 50 H THR 50 11.462 6.864 -3.641 596 HA THR 50 HA THR 50 13.219 8.970 -4.298 597 HB THR 50 HB THR 50 11.683 8.463 -1.728 598 HG1 THR 50 1HG THR 50 10.293 8.597 -3.500 599 1HG2 THR 50 1HG2 THR 50 12.818 11.026 -2.872 600 2HG2 THR 50 3HG2 THR 50 11.832 10.902 -1.415 601 3HG2 THR 50 2HG2 THR 50 13.437 10.175 -1.456 602 MG THR 50 QG2 THR 50 12.696 10.701 -1.914 603 H LYS 51 H LYS 51 13.480 6.085 -2.360 604 HA LYS 51 HA LYS 51 15.736 6.778 -0.772 605 1HB LYS 51 2HB LYS 51 14.919 4.046 -1.802 606 2HB LYS 51 1HB LYS 51 16.135 4.351 -0.577 607 1HG LYS 51 2HG LYS 51 13.225 5.016 -0.306 608 2HG LYS 51 1HG LYS 51 13.997 3.563 0.326 609 1HD LYS 51 2HD LYS 51 15.452 4.955 1.710 610 2HD LYS 51 1HD LYS 51 14.664 6.409 1.093 611 1HE LYS 51 2HE LYS 51 13.415 4.201 2.737 612 2HE LYS 51 1HE LYS 51 13.712 5.861 3.246 613 1HZ LYS 51 3HZ LYS 51 12.148 6.566 1.496 614 2HZ LYS 51 2HZ LYS 51 11.812 4.920 1.205 615 3HZ LYS 51 1HZ LYS 51 11.430 5.599 2.694 616 QB LYS 51 QB LYS 51 15.527 4.198 -1.190 617 QD LYS 51 QD LYS 51 15.058 5.682 1.401 618 QG LYS 51 QG LYS 51 13.611 4.289 0.010 619 QE LYS 51 QE LYS 51 13.564 5.031 2.991 620 QZ LYS 51 QZ LYS 51 11.797 5.695 1.798 621 H LYS 52 H LYS 52 15.270 5.727 -4.018 622 HA LYS 52 HA LYS 52 16.523 5.310 -5.839 623 1HB LYS 52 2HB LYS 52 18.314 6.891 -6.381 624 2HB LYS 52 1HB LYS 52 16.919 7.714 -5.709 625 1HG LYS 52 2HG LYS 52 18.014 8.031 -3.638 626 2HG LYS 52 1HG LYS 52 19.352 6.987 -4.106 627 1HD LYS 52 2HD LYS 52 19.932 8.594 -5.882 628 2HD LYS 52 1HD LYS 52 18.587 9.614 -5.367 629 1HE LYS 52 2HE LYS 52 19.575 9.978 -3.229 630 2HE LYS 52 1HE LYS 52 20.836 8.788 -3.549 631 1HZ LYS 52 1HZ LYS 52 20.499 11.373 -4.972 632 2HZ LYS 52 3HZ LYS 52 21.663 11.013 -3.808 633 3HZ LYS 52 2HZ LYS 52 21.689 10.213 -5.274 634 QB LYS 52 QB LYS 52 17.616 7.302 -6.045 635 QD LYS 52 QD LYS 52 19.259 9.104 -5.624 636 QG LYS 52 QG LYS 52 18.683 7.509 -3.872 637 QE LYS 52 QE LYS 52 20.206 9.383 -3.389 638 QZ LYS 52 QZ LYS 52 21.284 10.866 -4.685 639 H LYS 53 H LYS 53 17.313 3.882 -3.315 640 HA LYS 53 HA LYS 53 20.056 3.163 -3.913 641 1HB LYS 53 2HB LYS 53 19.941 1.789 -1.884 642 2HB LYS 53 1HB LYS 53 19.486 3.473 -1.645 643 1HG LYS 53 2HG LYS 53 17.150 2.896 -1.519 644 2HG LYS 53 1HG LYS 53 17.507 1.217 -1.917 645 1HD LYS 53 2HD LYS 53 18.648 2.595 0.507 646 2HD LYS 53 1HD LYS 53 17.123 1.712 0.543 647 1HE LYS 53 2HE LYS 53 19.695 0.473 -0.424 648 2HE LYS 53 1HE LYS 53 19.210 0.421 1.278 649 1HZ LYS 53 3HZ LYS 53 17.653 -0.670 -1.010 650 2HZ LYS 53 2HZ LYS 53 18.601 -1.578 0.035 651 3HZ LYS 53 1HZ LYS 53 17.233 -0.783 0.611 652 QB LYS 53 QB LYS 53 19.714 2.631 -1.764 653 QD LYS 53 QD LYS 53 17.886 2.154 0.525 654 QG LYS 53 QG LYS 53 17.329 2.056 -1.718 655 QE LYS 53 QE LYS 53 19.452 0.447 0.427 656 QZ LYS 53 QZ LYS 53 17.829 -1.010 -0.122 657 H ARG 54 H ARG 54 17.701 2.535 -5.580 658 HA ARG 54 HA ARG 54 17.778 -0.339 -5.620 659 1HB ARG 54 2HB ARG 54 16.411 1.639 -7.448 660 2HB ARG 54 1HB ARG 54 16.358 -0.096 -7.690 661 1HG ARG 54 2HG ARG 54 15.272 -0.296 -5.460 662 2HG ARG 54 1HG ARG 54 15.205 1.469 -5.400 663 1HD ARG 54 2HD ARG 54 13.094 0.565 -6.222 664 2HD ARG 54 1HD ARG 54 13.917 1.486 -7.483 665 HE ARG 54 HE ARG 54 14.717 -1.118 -7.845 666 1HH1 ARG 54 1HH1 ARG 54 11.687 0.661 -7.993 667 2HH1 ARG 54 2HH1 ARG 54 10.870 -0.450 -8.983 668 1HH2 ARG 54 1HH2 ARG 54 13.674 -2.668 -9.259 669 2HH2 ARG 54 2HH2 ARG 54 12.065 -2.427 -9.732 670 QB ARG 54 QB ARG 54 16.384 0.772 -7.569 671 QG ARG 54 QG ARG 54 15.238 0.586 -5.430 672 QD ARG 54 QD ARG 54 13.505 1.025 -6.853 673 QH1 ARG 54 QH1 ARG 54 11.279 0.105 -8.488 674 QH2 ARG 54 QH2 ARG 54 12.869 -2.547 -9.495 675 H TYR 55 H TYR 55 19.094 -1.453 -6.954 676 HA TYR 55 HA TYR 55 21.177 0.079 -8.162 677 1HB TYR 55 2HB TYR 55 20.835 -2.920 -8.011 678 2HB TYR 55 1HB TYR 55 22.315 -2.065 -8.456 679 HD1 TYR 55 1HD TYR 55 23.550 -0.746 -6.732 680 HD2 TYR 55 2HD TYR 55 20.184 -3.132 -5.725 681 HE1 TYR 55 1HE TYR 55 24.137 -0.582 -4.342 682 HE2 TYR 55 2HE TYR 55 20.764 -2.987 -3.359 683 HH TYR 55 HH TYR 55 22.983 -0.748 -2.200 684 QB TYR 55 QB TYR 55 21.575 -2.493 -8.233 685 QD TYR 55 QD TYR 55 21.867 -1.939 -6.228 686 QE TYR 55 QE TYR 55 22.450 -1.784 -3.851 687 QR TYR 55 QR TYR 55 22.159 -1.862 -5.039 688 H SER 56 H SER 56 18.235 -0.628 -9.223 689 HA SER 56 HA SER 56 18.748 -1.343 -11.909 690 1HB SER 56 2HB SER 56 16.337 -0.521 -12.075 691 2HB SER 56 1HB SER 56 16.627 -1.847 -10.945 692 HG SER 56 HG SER 56 15.460 0.364 -10.388 693 QB SER 56 QB SER 56 16.482 -1.184 -11.510 694 H LEU 57 H LEU 57 18.721 1.541 -9.981 695 HA LEU 57 HA LEU 57 18.669 3.391 -12.217 696 1HB LEU 57 2HB LEU 57 19.301 3.887 -9.305 697 2HB LEU 57 1HB LEU 57 19.000 5.113 -10.511 698 HG LEU 57 HG LEU 57 16.969 3.156 -9.418 699 1HD1 LEU 57 2HD1 LEU 57 17.287 6.116 -9.037 700 2HD1 LEU 57 1HD1 LEU 57 15.951 5.129 -8.439 701 3HD1 LEU 57 3HD1 LEU 57 17.584 4.867 -7.835 702 1HD2 LEU 57 3HD2 LEU 57 16.640 5.394 -11.425 703 2HD2 LEU 57 2HD2 LEU 57 16.508 3.667 -11.769 704 3HD2 LEU 57 1HD2 LEU 57 15.331 4.446 -10.716 705 MD1 LEU 57 QD1 LEU 57 16.941 5.371 -8.437 706 MD2 LEU 57 QD2 LEU 57 16.160 4.502 -11.303 707 QB LEU 57 QB LEU 57 19.150 4.500 -9.908 708 QD LEU 57 QQD LEU 57 16.550 4.937 -9.870 709 H LEU 58 H LEU 58 20.937 1.989 -9.988 710 HA LEU 58 HA LEU 58 23.167 3.580 -10.842 711 1HB LEU 58 2HB LEU 58 23.080 1.098 -9.134 712 2HB LEU 58 1HB LEU 58 24.481 2.123 -9.357 713 HG LEU 58 HG LEU 58 21.901 2.969 -8.025 714 1HD1 LEU 58 3HD1 LEU 58 24.593 2.306 -6.865 715 2HD1 LEU 58 2HD1 LEU 58 23.234 2.985 -5.970 716 3HD1 LEU 58 1HD1 LEU 58 23.111 1.373 -6.674 717 1HD2 LEU 58 3HD2 LEU 58 24.533 4.418 -8.338 718 2HD2 LEU 58 2HD2 LEU 58 23.012 4.844 -9.121 719 3HD2 LEU 58 1HD2 LEU 58 23.164 4.971 -7.373 720 MD1 LEU 58 QD1 LEU 58 23.646 2.221 -6.503 721 MD2 LEU 58 QD2 LEU 58 23.570 4.744 -8.277 722 QB LEU 58 QB LEU 58 23.781 1.610 -9.246 723 QD LEU 58 QQD LEU 58 23.608 3.483 -7.390 724 H GLU 59 H GLU 59 22.017 0.287 -11.441 725 HA GLU 59 HA GLU 59 24.181 -0.021 -13.380 726 1HB GLU 59 2HB GLU 59 22.358 -2.176 -12.277 727 2HB GLU 59 1HB GLU 59 23.791 -2.414 -13.266 728 1HG GLU 59 2HG GLU 59 25.159 -1.537 -11.408 729 2HG GLU 59 1HG GLU 59 23.693 -1.370 -10.449 730 QB GLU 59 QB GLU 59 23.074 -2.295 -12.771 731 QG GLU 59 QG GLU 59 24.426 -1.453 -10.928 732 H HIS 60 H HIS 60 21.373 -1.907 -13.621 733 HA HIS 60 HA HIS 60 20.185 -0.259 -15.689 734 1HB HIS 60 2HB HIS 60 21.206 -3.072 -16.146 735 2HB HIS 60 1HB HIS 60 19.935 -2.370 -17.130 736 HD1 HIS 60 1HD HIS 60 23.594 -2.604 -16.879 737 HD2 HIS 60 2HD HIS 60 20.816 -0.051 -18.608 738 HE1 HIS 60 1HE HIS 60 24.836 -1.303 -18.637 739 QB HIS 60 QB HIS 60 20.571 -2.721 -16.638 740 H HIS 61 H HIS 61 18.037 -0.730 -16.029 741 HA HIS 61 HA HIS 61 16.796 -2.421 -13.977 742 1HB HIS 61 2HB HIS 61 16.085 -0.017 -14.042 743 2HB HIS 61 1HB HIS 61 15.551 -0.260 -15.696 744 HD1 HIS 61 1HD HIS 61 13.043 -0.566 -15.821 745 HD2 HIS 61 2HD HIS 61 14.659 -2.110 -12.314 746 HE1 HIS 61 1HE HIS 61 11.112 -1.452 -14.492 747 QB HIS 61 QB HIS 61 15.818 -0.139 -14.869 748 H HIS 62 H HIS 62 17.076 -1.775 -17.385 749 HA HIS 62 HA HIS 62 15.318 -4.032 -17.910 750 1HB HIS 62 2HB HIS 62 16.135 -1.778 -19.765 751 2HB HIS 62 1HB HIS 62 15.018 -3.081 -20.162 752 HD1 HIS 62 1HD HIS 62 14.938 0.344 -19.196 753 HD2 HIS 62 2HD HIS 62 12.762 -3.021 -18.105 754 HE1 HIS 62 1HE HIS 62 12.796 1.196 -18.194 755 QB HIS 62 QB HIS 62 15.576 -2.429 -19.963 756 H HIS 63 H HIS 63 16.122 -5.722 -19.053 757 HA HIS 63 HA HIS 63 18.933 -5.539 -19.884 758 1HB HIS 63 2HB HIS 63 17.758 -7.756 -18.192 759 2HB HIS 63 1HB HIS 63 19.367 -7.767 -18.894 760 HD1 HIS 63 1HD HIS 63 17.472 -6.608 -15.915 761 HD2 HIS 63 2HD HIS 63 21.160 -5.869 -17.695 762 HE1 HIS 63 1HE HIS 63 18.862 -5.467 -14.178 763 QB HIS 63 QB HIS 63 18.563 -7.762 -18.543 764 H HIS 64 H HIS 64 19.233 -6.348 -21.872 765 HA HIS 64 HA HIS 64 17.160 -7.987 -23.017 766 1HB HIS 64 2HB HIS 64 19.470 -6.441 -24.203 767 2HB HIS 64 1HB HIS 64 18.412 -7.492 -25.126 768 HD1 HIS 64 1HD HIS 64 18.754 -4.040 -24.022 769 HD2 HIS 64 2HD HIS 64 15.633 -6.566 -25.076 770 HE1 HIS 64 1HE HIS 64 16.791 -2.548 -24.520 771 QB HIS 64 QB HIS 64 18.941 -6.967 -24.664 No H/Q in entry = 771 Start of MODEL 20 1 H1 MET 1 1HT MET 1 12.687 -7.032 3.297 2 H2 MET 1 3HT MET 1 12.512 -8.706 3.198 3 H3 MET 1 2HT MET 1 13.726 -8.037 4.136 4 HA MET 1 HA MET 1 14.836 -7.115 2.233 5 1HB MET 1 2HB MET 1 15.375 -9.428 2.927 6 2HB MET 1 1HB MET 1 14.151 -10.035 1.824 7 1HG MET 1 2HG MET 1 15.431 -9.055 -0.060 8 2HG MET 1 1HG MET 1 16.677 -8.570 1.090 9 1HE MET 1 1HE MET 1 18.000 -10.363 2.621 10 2HE MET 1 3HE MET 1 16.508 -11.188 3.079 11 3HE MET 1 2HE MET 1 17.858 -12.108 2.423 12 QB MET 1 QB MET 1 14.763 -9.732 2.375 13 QG MET 1 QG MET 1 16.054 -8.813 0.515 14 ME MET 1 QE MET 1 17.455 -11.220 2.708 15 H ASN 2 H ASN 2 11.988 -9.050 1.297 16 HA ASN 2 HA ASN 2 12.193 -8.271 -1.432 17 1HB ASN 2 2HB ASN 2 11.378 -10.474 -0.945 18 2HB ASN 2 1HB ASN 2 10.143 -9.841 0.133 19 1HD2 ASN 2 1HD2 ASN 2 11.098 -10.298 -3.191 20 2HD2 ASN 2 2HD2 ASN 2 9.555 -9.959 -3.859 21 QB ASN 2 QB ASN 2 10.761 -10.158 -0.406 22 QD ASN 2 QD2 ASN 2 10.327 -10.128 -3.525 23 H VAL 3 H VAL 3 11.538 -6.414 -2.204 24 HA VAL 3 HA VAL 3 9.810 -4.616 -0.798 25 HB VAL 3 HB VAL 3 9.981 -3.137 -2.724 26 1HG1 VAL 3 1HG1 VAL 3 12.611 -4.395 -1.995 27 2HG1 VAL 3 3HG1 VAL 3 12.409 -2.813 -2.747 28 3HG1 VAL 3 2HG1 VAL 3 11.782 -3.103 -1.125 29 1HG2 VAL 3 2HG2 VAL 3 9.857 -4.852 -4.515 30 2HG2 VAL 3 1HG2 VAL 3 11.236 -3.761 -4.755 31 3HG2 VAL 3 3HG2 VAL 3 11.469 -5.386 -4.109 32 MG1 VAL 3 QG1 VAL 3 12.268 -3.437 -1.956 33 MG2 VAL 3 QG2 VAL 3 10.854 -4.666 -4.459 34 QG VAL 3 QQG VAL 3 11.561 -4.052 -3.208 35 H THR 4 H THR 4 9.335 -7.026 -3.203 36 HA THR 4 HA THR 4 7.208 -6.215 -4.702 37 HB THR 4 HB THR 4 7.798 -8.954 -3.636 38 HG1 THR 4 1HG THR 4 8.871 -7.561 -5.872 39 1HG2 THR 4 3HG2 THR 4 6.451 -7.958 -6.107 40 2HG2 THR 4 2HG2 THR 4 6.877 -9.669 -5.793 41 3HG2 THR 4 1HG2 THR 4 5.727 -8.812 -4.729 42 MG THR 4 QG2 THR 4 6.352 -8.813 -5.543 43 H LYS 5 H LYS 5 7.239 -7.844 -1.626 44 HA LYS 5 HA LYS 5 4.614 -8.489 -1.326 45 1HB LYS 5 2HB LYS 5 5.088 -8.891 0.918 46 2HB LYS 5 1HB LYS 5 6.555 -9.141 -0.037 47 1HG LYS 5 2HG LYS 5 7.417 -6.974 0.659 48 2HG LYS 5 1HG LYS 5 5.955 -6.689 1.604 49 1HD LYS 5 2HD LYS 5 6.504 -8.718 2.929 50 2HD LYS 5 1HD LYS 5 8.037 -8.802 2.052 51 1HE LYS 5 2HE LYS 5 7.092 -6.601 3.884 52 2HE LYS 5 1HE LYS 5 8.414 -7.738 4.125 53 1HZ LYS 5 1HZ LYS 5 9.458 -6.705 2.085 54 2HZ LYS 5 3HZ LYS 5 8.318 -5.456 2.234 55 3HZ LYS 5 2HZ LYS 5 9.415 -5.768 3.469 56 QB LYS 5 QB LYS 5 5.821 -9.016 0.440 57 QD LYS 5 QD LYS 5 7.270 -8.760 2.490 58 QG LYS 5 QG LYS 5 6.686 -6.832 1.132 59 QE LYS 5 QE LYS 5 7.753 -7.170 4.005 60 QZ LYS 5 QZ LYS 5 9.063 -5.976 2.596 61 H LEU 6 H LEU 6 6.065 -5.341 -0.988 62 HA LEU 6 HA LEU 6 4.094 -4.065 0.576 63 1HB LEU 6 2HB LEU 6 6.362 -3.140 0.092 64 2HB LEU 6 1HB LEU 6 5.854 -2.931 -1.571 65 HG LEU 6 HG LEU 6 4.270 -1.218 -0.942 66 1HD1 LEU 6 2HD1 LEU 6 5.203 -1.704 1.884 67 2HD1 LEU 6 1HD1 LEU 6 4.136 -0.403 1.361 68 3HD1 LEU 6 3HD1 LEU 6 3.600 -2.078 1.242 69 1HD2 LEU 6 1HD2 LEU 6 6.586 -0.573 -1.380 70 2HD2 LEU 6 3HD2 LEU 6 5.845 0.471 -0.171 71 3HD2 LEU 6 2HD2 LEU 6 6.971 -0.788 0.324 72 MD1 LEU 6 QD1 LEU 6 4.313 -1.395 1.496 73 MD2 LEU 6 QD2 LEU 6 6.467 -0.297 -0.409 74 QB LEU 6 QB LEU 6 6.108 -3.035 -0.739 75 QD LEU 6 QQD LEU 6 5.390 -0.846 0.543 76 H ASN 7 H ASN 7 4.571 -4.276 -2.958 77 HA ASN 7 HA ASN 7 2.162 -2.935 -3.555 78 1HB ASN 7 2HB ASN 7 4.002 -3.107 -5.236 79 2HB ASN 7 1HB ASN 7 3.713 -4.834 -5.343 80 1HD2 ASN 7 1HD2 ASN 7 1.981 -5.582 -6.545 81 2HD2 ASN 7 2HD2 ASN 7 0.992 -4.562 -7.522 82 QB ASN 7 QB ASN 7 3.857 -3.971 -5.289 83 QD ASN 7 QD2 ASN 7 1.486 -5.072 -7.033 84 H ASP 8 H ASP 8 3.091 -6.175 -3.029 85 HA ASP 8 HA ASP 8 0.815 -7.591 -3.803 86 1HB ASP 8 2HB ASP 8 2.963 -8.618 -3.195 87 2HB ASP 8 1HB ASP 8 2.710 -8.094 -1.535 88 QB ASP 8 QB ASP 8 2.837 -8.356 -2.365 89 H ARG 9 H ARG 9 1.502 -5.747 -0.870 90 HA ARG 9 HA ARG 9 -0.802 -6.575 0.576 91 1HB ARG 9 2HB ARG 9 0.683 -3.940 0.844 92 2HB ARG 9 1HB ARG 9 -0.467 -4.585 1.998 93 1HG ARG 9 2HG ARG 9 1.093 -6.501 2.350 94 2HG ARG 9 1HG ARG 9 2.263 -5.658 1.335 95 1HD ARG 9 2HD ARG 9 2.825 -5.135 3.585 96 2HD ARG 9 1HD ARG 9 2.051 -3.699 2.924 97 HE ARG 9 HE ARG 9 0.117 -5.327 4.135 98 1HH1 ARG 9 1HH1 ARG 9 2.702 -3.102 5.038 99 2HH1 ARG 9 2HH1 ARG 9 2.162 -2.870 6.621 100 1HH2 ARG 9 1HH2 ARG 9 -0.662 -5.003 6.275 101 2HH2 ARG 9 2HH2 ARG 9 0.149 -3.970 7.357 102 QB ARG 9 QB ARG 9 0.108 -4.262 1.421 103 QG ARG 9 QG ARG 9 1.678 -6.080 1.842 104 QD ARG 9 QD ARG 9 2.438 -4.417 3.254 105 QH1 ARG 9 QH1 ARG 9 2.432 -2.986 5.830 106 QH2 ARG 9 QH2 ARG 9 -0.256 -4.486 6.816 107 H ILE 10 H ILE 10 -0.073 -4.008 -1.655 108 HA ILE 10 HA ILE 10 -2.489 -2.570 -1.519 109 HB ILE 10 HB ILE 10 -0.731 -2.902 -3.968 110 1HG1 ILE 10 2HG1 ILE 10 -0.503 -0.861 -1.751 111 2HG1 ILE 10 1HG1 ILE 10 0.578 -2.231 -1.961 112 1HG2 ILE 10 3HG2 ILE 10 -2.911 -1.847 -4.368 113 2HG2 ILE 10 2HG2 ILE 10 -2.566 -0.669 -3.100 114 3HG2 ILE 10 1HG2 ILE 10 -1.595 -0.680 -4.571 115 1HD1 ILE 10 2HD1 ILE 10 1.244 -1.322 -4.150 116 2HD1 ILE 10 1HD1 ILE 10 0.219 0.070 -3.860 117 3HD1 ILE 10 3HD1 ILE 10 1.608 -0.227 -2.812 118 MG ILE 10 QG2 ILE 10 -2.358 -1.065 -4.013 119 MD ILE 10 QD1 ILE 10 1.024 -0.493 -3.607 120 QG ILE 10 QG1 ILE 10 0.037 -1.546 -1.856 121 H GLU 11 H GLU 11 -1.354 -5.122 -3.706 122 HA GLU 11 HA GLU 11 -3.528 -5.439 -5.357 123 1HB GLU 11 2HB GLU 11 -1.748 -7.620 -4.263 124 2HB GLU 11 1HB GLU 11 -2.817 -7.789 -5.646 125 1HG GLU 11 2HG GLU 11 -0.477 -5.904 -5.452 126 2HG GLU 11 1HG GLU 11 -0.490 -7.445 -6.305 127 QB GLU 11 QB GLU 11 -2.283 -7.705 -4.954 128 QG GLU 11 QG GLU 11 -0.484 -6.675 -5.878 129 H ALA 12 H ALA 12 -3.003 -7.027 -2.240 130 HA ALA 12 HA ALA 12 -5.411 -8.493 -2.262 131 1HB ALA 12 3HB ALA 12 -3.524 -9.043 -0.798 132 2HB ALA 12 1HB ALA 12 -5.020 -8.859 0.115 133 3HB ALA 12 2HB ALA 12 -3.816 -7.571 0.128 134 MB ALA 12 QB ALA 12 -4.120 -8.491 -0.185 135 H LYS 13 H LYS 13 -4.648 -5.254 -1.040 136 HA LYS 13 HA LYS 13 -7.234 -5.039 0.166 137 1HB LYS 13 2HB LYS 13 -4.954 -3.106 -0.004 138 2HB LYS 13 1HB LYS 13 -6.533 -2.606 0.588 139 1HG LYS 13 2HG LYS 13 -6.419 -4.372 2.300 140 2HG LYS 13 1HG LYS 13 -4.805 -4.790 1.731 141 1HD LYS 13 2HD LYS 13 -3.979 -2.611 2.352 142 2HD LYS 13 1HD LYS 13 -5.608 -2.074 2.769 143 1HE LYS 13 2HE LYS 13 -4.357 -2.637 4.781 144 2HE LYS 13 1HE LYS 13 -5.698 -3.754 4.557 145 1HZ LYS 13 3HZ LYS 13 -4.116 -5.376 3.664 146 2HZ LYS 13 2HZ LYS 13 -2.851 -4.295 3.901 147 3HZ LYS 13 1HZ LYS 13 -3.702 -4.903 5.218 148 QB LYS 13 QB LYS 13 -5.744 -2.856 0.292 149 QD LYS 13 QD LYS 13 -4.793 -2.342 2.561 150 QG LYS 13 QG LYS 13 -5.612 -4.581 2.015 151 QE LYS 13 QE LYS 13 -5.027 -3.196 4.669 152 QZ LYS 13 QZ LYS 13 -3.556 -4.858 4.261 153 H LYS 14 H LYS 14 -5.847 -3.993 -2.843 154 HA LYS 14 HA LYS 14 -7.918 -2.173 -3.420 155 1HB LYS 14 2HB LYS 14 -7.100 -2.146 -5.718 156 2HB LYS 14 1HB LYS 14 -5.745 -2.121 -4.611 157 1HG LYS 14 2HG LYS 14 -5.626 -4.646 -5.002 158 2HG LYS 14 1HG LYS 14 -6.683 -4.347 -6.379 159 1HD LYS 14 2HD LYS 14 -3.965 -3.130 -5.903 160 2HD LYS 14 1HD LYS 14 -4.343 -4.387 -7.073 161 1HE LYS 14 2HE LYS 14 -5.832 -2.796 -8.257 162 2HE LYS 14 1HE LYS 14 -5.374 -1.543 -7.106 163 1HZ LYS 14 2HZ LYS 14 -3.056 -1.783 -7.866 164 2HZ LYS 14 1HZ LYS 14 -3.538 -2.947 -8.967 165 3HZ LYS 14 3HZ LYS 14 -4.064 -1.363 -9.135 166 QB LYS 14 QB LYS 14 -6.423 -2.134 -5.164 167 QD LYS 14 QD LYS 14 -4.154 -3.758 -6.488 168 QG LYS 14 QG LYS 14 -6.155 -4.497 -5.691 169 QE LYS 14 QE LYS 14 -5.603 -2.170 -7.682 170 QZ LYS 14 QZ LYS 14 -3.553 -2.031 -8.656 171 H LYS 15 H LYS 15 -7.562 -5.627 -3.874 172 HA LYS 15 HA LYS 15 -9.916 -6.023 -5.447 173 1HB LYS 15 2HB LYS 15 -8.454 -7.938 -3.621 174 2HB LYS 15 1HB LYS 15 -9.705 -8.393 -4.766 175 1HG LYS 15 2HG LYS 15 -7.056 -7.161 -5.490 176 2HG LYS 15 1HG LYS 15 -7.425 -8.884 -5.533 177 1HD LYS 15 2HD LYS 15 -9.204 -8.420 -7.198 178 2HD LYS 15 1HD LYS 15 -8.755 -6.715 -7.168 179 1HE LYS 15 2HE LYS 15 -6.517 -7.276 -7.965 180 2HE LYS 15 1HE LYS 15 -6.936 -8.986 -7.953 181 1HZ LYS 15 3HZ LYS 15 -8.650 -8.504 -9.635 182 2HZ LYS 15 2HZ LYS 15 -8.198 -6.906 -9.670 183 3HZ LYS 15 1HZ LYS 15 -7.116 -8.088 -10.190 184 QB LYS 15 QB LYS 15 -9.079 -8.165 -4.193 185 QD LYS 15 QD LYS 15 -8.980 -7.567 -7.183 186 QG LYS 15 QG LYS 15 -7.241 -8.023 -5.511 187 QE LYS 15 QE LYS 15 -6.727 -8.131 -7.959 188 QZ LYS 15 QZ LYS 15 -7.988 -7.833 -9.832 189 H GLU 16 H GLU 16 -9.254 -5.687 -2.092 190 HA GLU 16 HA GLU 16 -11.736 -6.782 -1.146 191 1HB GLU 16 2HB GLU 16 -9.778 -6.891 0.295 192 2HB GLU 16 1HB GLU 16 -9.575 -5.150 0.201 193 1HG GLU 16 2HG GLU 16 -11.566 -4.792 1.484 194 2HG GLU 16 1HG GLU 16 -11.944 -6.514 1.455 195 QB GLU 16 QB GLU 16 -9.677 -6.020 0.248 196 QG GLU 16 QG GLU 16 -11.755 -5.653 1.469 197 H LEU 17 H LEU 17 -10.316 -3.645 -1.633 198 HA LEU 17 HA LEU 17 -12.461 -2.112 -0.849 199 1HB LEU 17 2HB LEU 17 -10.099 -1.726 -2.527 200 2HB LEU 17 1HB LEU 17 -11.362 -0.538 -2.703 201 HG LEU 17 HG LEU 17 -9.954 -1.273 -0.115 202 1HD1 LEU 17 3HD1 LEU 17 -8.526 -0.058 -1.658 203 2HD1 LEU 17 2HD1 LEU 17 -9.760 1.192 -1.826 204 3HD1 LEU 17 1HD1 LEU 17 -8.964 0.938 -0.272 205 1HD2 LEU 17 1HD2 LEU 17 -12.011 0.838 -0.720 206 2HD2 LEU 17 3HD2 LEU 17 -12.242 -0.562 0.326 207 3HD2 LEU 17 2HD2 LEU 17 -11.116 0.714 0.785 208 MD1 LEU 17 QD1 LEU 17 -9.083 0.691 -1.252 209 MD2 LEU 17 QD2 LEU 17 -11.790 0.330 0.130 210 QB LEU 17 QB LEU 17 -10.730 -1.132 -2.615 211 QD LEU 17 QQD LEU 17 -10.437 0.510 -0.561 212 H ILE 18 H ILE 18 -11.760 -3.461 -4.035 213 HA ILE 18 HA ILE 18 -13.912 -2.317 -5.385 214 HB ILE 18 HB ILE 18 -12.617 -5.033 -5.807 215 1HG1 ILE 18 2HG1 ILE 18 -12.261 -2.400 -7.257 216 2HG1 ILE 18 1HG1 ILE 18 -11.165 -3.035 -6.044 217 1HG2 ILE 18 2HG2 ILE 18 -14.503 -3.540 -7.641 218 2HG2 ILE 18 1HG2 ILE 18 -13.611 -5.003 -8.067 219 3HG2 ILE 18 3HG2 ILE 18 -14.847 -5.054 -6.810 220 1HD1 ILE 18 2HD1 ILE 18 -11.770 -4.293 -8.716 221 2HD1 ILE 18 1HD1 ILE 18 -10.312 -3.396 -8.292 222 3HD1 ILE 18 3HD1 ILE 18 -10.660 -4.935 -7.505 223 MG ILE 18 QG2 ILE 18 -14.321 -4.532 -7.506 224 MD ILE 18 QD1 ILE 18 -10.914 -4.208 -8.171 225 QG ILE 18 QG1 ILE 18 -11.713 -2.718 -6.651 226 H TYR 19 H TYR 19 -13.791 -5.303 -3.508 227 HA TYR 19 HA TYR 19 -16.478 -6.068 -3.827 228 1HB TYR 19 2HB TYR 19 -14.924 -7.678 -2.954 229 2HB TYR 19 1HB TYR 19 -14.459 -6.597 -1.649 230 HD1 TYR 19 1HD TYR 19 -17.350 -8.598 -2.917 231 HD2 TYR 19 2HD TYR 19 -15.481 -6.746 0.423 232 HE1 TYR 19 1HE TYR 19 -18.994 -9.647 -1.410 233 HE2 TYR 19 2HE TYR 19 -17.109 -7.780 1.925 234 HH TYR 19 HH TYR 19 -19.270 -8.655 1.856 235 QB TYR 19 QB TYR 19 -14.692 -7.137 -2.301 236 QD TYR 19 QD TYR 19 -16.415 -7.672 -1.247 237 QE TYR 19 QE TYR 19 -18.051 -8.714 0.257 238 QR TYR 19 QR TYR 19 -17.233 -8.193 -0.495 239 H LEU 20 H LEU 20 -14.896 -4.074 -1.381 240 HA LEU 20 HA LEU 20 -17.172 -3.606 0.193 241 1HB LEU 20 2HB LEU 20 -14.719 -1.874 -0.113 242 2HB LEU 20 1HB LEU 20 -15.921 -1.712 1.148 243 HG LEU 20 HG LEU 20 -14.044 -4.048 0.762 244 1HD1 LEU 20 1HD1 LEU 20 -12.936 -2.076 1.619 245 2HD1 LEU 20 3HD1 LEU 20 -14.156 -1.929 2.887 246 3HD1 LEU 20 2HD1 LEU 20 -13.071 -3.317 2.866 247 1HD2 LEU 20 1HD2 LEU 20 -16.125 -3.567 2.892 248 2HD2 LEU 20 3HD2 LEU 20 -16.173 -4.824 1.650 249 3HD2 LEU 20 2HD2 LEU 20 -14.925 -4.860 2.894 250 MD1 LEU 20 QD1 LEU 20 -13.388 -2.441 2.457 251 MD2 LEU 20 QD2 LEU 20 -15.741 -4.417 2.479 252 QB LEU 20 QB LEU 20 -15.320 -1.793 0.518 253 QD LEU 20 QQD LEU 20 -14.564 -3.429 2.468 254 H VAL 21 H VAL 21 -15.774 -1.779 -2.472 255 HA VAL 21 HA VAL 21 -17.577 0.348 -2.398 256 HB VAL 21 HB VAL 21 -15.908 -0.706 -4.718 257 1HG1 VAL 21 1HG1 VAL 21 -17.834 0.550 -5.608 258 2HG1 VAL 21 3HG1 VAL 21 -17.423 1.900 -4.547 259 3HG1 VAL 21 2HG1 VAL 21 -16.321 1.428 -5.841 260 1HG2 VAL 21 3HG2 VAL 21 -15.574 1.651 -2.861 261 2HG2 VAL 21 2HG2 VAL 21 -14.632 0.159 -2.850 262 3HG2 VAL 21 1HG2 VAL 21 -14.515 1.258 -4.220 263 MG1 VAL 21 QG1 VAL 21 -17.193 1.292 -5.332 264 MG2 VAL 21 QG2 VAL 21 -14.907 1.023 -3.310 265 QG VAL 21 QQG VAL 21 -16.050 1.158 -4.321 266 H GLU 22 H GLU 22 -17.899 -2.803 -3.925 267 HA GLU 22 HA GLU 22 -20.296 -2.184 -5.320 268 1HB GLU 22 2HB GLU 22 -19.484 -4.833 -4.151 269 2HB GLU 22 1HB GLU 22 -20.761 -4.570 -5.318 270 1HG GLU 22 2HG GLU 22 -19.031 -3.795 -6.914 271 2HG GLU 22 1HG GLU 22 -17.812 -4.277 -5.723 272 QB GLU 22 QB GLU 22 -20.122 -4.702 -4.735 273 QG GLU 22 QG GLU 22 -18.422 -4.036 -6.319 274 H LYS 23 H LYS 23 -19.693 -3.580 -2.140 275 HA LYS 23 HA LYS 23 -22.507 -3.912 -1.631 276 1HB LYS 23 2HB LYS 23 -20.030 -4.704 -0.136 277 2HB LYS 23 1HB LYS 23 -21.593 -4.779 0.657 278 1HG LYS 23 2HG LYS 23 -20.876 -6.960 -0.281 279 2HG LYS 23 1HG LYS 23 -22.396 -6.395 -0.962 280 1HD LYS 23 2HD LYS 23 -21.160 -5.590 -2.950 281 2HD LYS 23 1HD LYS 23 -19.671 -6.227 -2.257 282 1HE LYS 23 2HE LYS 23 -20.467 -8.465 -2.419 283 2HE LYS 23 1HE LYS 23 -22.091 -7.923 -2.831 284 1HZ LYS 23 3HZ LYS 23 -19.701 -7.471 -4.594 285 2HZ LYS 23 2HZ LYS 23 -20.824 -8.709 -4.771 286 3HZ LYS 23 1HZ LYS 23 -21.313 -7.119 -4.918 287 QB LYS 23 QB LYS 23 -20.812 -4.742 0.260 288 QD LYS 23 QD LYS 23 -20.416 -5.908 -2.603 289 QG LYS 23 QG LYS 23 -21.636 -6.678 -0.621 290 QE LYS 23 QE LYS 23 -21.279 -8.194 -2.625 291 QZ LYS 23 QZ LYS 23 -20.613 -7.766 -4.761 292 H TYR 24 H TYR 24 -19.951 -1.965 -0.154 293 HA TYR 24 HA TYR 24 -21.974 -0.559 1.433 294 1HB TYR 24 2HB TYR 24 -18.949 -0.374 1.517 295 2HB TYR 24 1HB TYR 24 -20.053 0.466 2.592 296 HD1 TYR 24 1HD TYR 24 -21.445 -0.902 4.189 297 HD2 TYR 24 2HD TYR 24 -18.221 -2.551 1.973 298 HE1 TYR 24 1HE TYR 24 -21.329 -2.776 5.768 299 HE2 TYR 24 2HE TYR 24 -18.094 -4.436 3.543 300 HH TYR 24 HH TYR 24 -20.526 -5.141 5.701 301 QB TYR 24 QB TYR 24 -19.501 0.046 2.054 302 QD TYR 24 QD TYR 24 -19.833 -1.727 3.081 303 QE TYR 24 QE TYR 24 -19.712 -3.606 4.656 304 QR TYR 24 QR TYR 24 -19.773 -2.666 3.868 305 H GLY 25 H GLY 25 -19.417 -0.128 -0.903 306 1HA GLY 25 1HA GLY 25 -20.690 2.296 -1.859 307 2HA GLY 25 2HA GLY 25 -19.385 1.411 -2.650 308 QA GLY 25 QA GLY 25 -20.038 1.854 -2.254 309 H PHE 26 H PHE 26 -19.981 4.182 -1.449 310 HA PHE 26 HA PHE 26 -17.494 4.369 0.001 311 1HB PHE 26 2HB PHE 26 -18.777 6.281 -1.940 312 2HB PHE 26 1HB PHE 26 -17.666 6.888 -0.712 313 HD1 PHE 26 1HD PHE 26 -15.339 6.330 -0.736 314 HD2 PHE 26 2HD PHE 26 -17.959 4.852 -3.742 315 HE1 PHE 26 1HE PHE 26 -13.395 5.663 -2.086 316 HE2 PHE 26 2HE PHE 26 -16.013 4.185 -5.102 317 HZ PHE 26 HZ PHE 26 -13.736 4.591 -4.274 318 QB PHE 26 QB PHE 26 -18.221 6.584 -1.326 319 QD PHE 26 QD PHE 26 -16.649 5.591 -2.239 320 QE PHE 26 QE PHE 26 -14.704 4.924 -3.594 321 QR PHE 26 QR PHE 26 -15.288 5.124 -3.188 322 H THR 27 H THR 27 -18.281 7.143 0.916 323 HA THR 27 HA THR 27 -19.035 8.066 2.688 324 HB THR 27 HB THR 27 -21.323 7.775 3.495 325 HG1 THR 27 1HG THR 27 -21.295 5.482 1.846 326 1HG2 THR 27 2HG2 THR 27 -21.004 9.167 1.549 327 2HG2 THR 27 1HG2 THR 27 -21.162 7.768 0.486 328 3HG2 THR 27 3HG2 THR 27 -22.549 8.326 1.424 329 MG THR 27 QG2 THR 27 -21.572 8.420 1.153 330 H HIS 28 H HIS 28 -19.267 4.614 2.903 331 HA HIS 28 HA HIS 28 -19.094 4.322 5.677 332 1HB HIS 28 2HB HIS 28 -19.701 2.515 4.048 333 2HB HIS 28 1HB HIS 28 -18.039 2.499 3.482 334 HD1 HIS 28 1HD HIS 28 -20.258 1.081 6.130 335 HD2 HIS 28 2HD HIS 28 -16.197 1.410 5.348 336 HE1 HIS 28 1HE HIS 28 -19.128 -0.588 7.600 337 QB HIS 28 QB HIS 28 -18.870 2.507 3.765 338 H HIS 29 H HIS 29 -17.540 4.921 6.921 339 HA HIS 29 HA HIS 29 -15.318 6.349 6.047 340 1HB HIS 29 2HB HIS 29 -15.902 5.286 8.809 341 2HB HIS 29 1HB HIS 29 -14.691 6.500 8.423 342 HD1 HIS 29 1HD HIS 29 -15.611 8.888 7.696 343 HD2 HIS 29 2HD HIS 29 -18.497 6.192 8.987 344 HE1 HIS 29 1HE HIS 29 -17.692 10.244 8.131 345 QB HIS 29 QB HIS 29 -15.297 5.893 8.616 346 H LYS 30 H LYS 30 -15.529 3.009 7.124 347 HA LYS 30 HA LYS 30 -12.748 2.597 7.356 348 1HB LYS 30 2HB LYS 30 -14.854 0.546 6.609 349 2HB LYS 30 1HB LYS 30 -13.207 0.184 7.077 350 1HG LYS 30 2HG LYS 30 -15.270 1.499 8.826 351 2HG LYS 30 1HG LYS 30 -14.783 -0.194 8.897 352 1HD LYS 30 2HD LYS 30 -12.485 0.514 9.430 353 2HD LYS 30 1HD LYS 30 -13.015 2.196 9.417 354 1HE LYS 30 2HE LYS 30 -14.589 1.711 11.224 355 2HE LYS 30 1HE LYS 30 -14.044 0.036 11.250 356 1HZ LYS 30 2HZ LYS 30 -11.812 0.861 11.834 357 2HZ LYS 30 1HZ LYS 30 -12.415 2.434 11.893 358 3HZ LYS 30 3HZ LYS 30 -12.956 1.267 12.981 359 QB LYS 30 QB LYS 30 -14.031 0.365 6.843 360 QD LYS 30 QD LYS 30 -12.750 1.355 9.424 361 QG LYS 30 QG LYS 30 -15.027 0.653 8.862 362 QE LYS 30 QE LYS 30 -14.317 0.874 11.237 363 QZ LYS 30 QZ LYS 30 -12.394 1.521 12.236 364 H VAL 31 H VAL 31 -14.921 2.264 4.605 365 HA VAL 31 HA VAL 31 -13.101 1.186 2.745 366 HB VAL 31 HB VAL 31 -15.497 2.999 2.232 367 1HG1 VAL 31 3HG1 VAL 31 -13.991 2.959 0.299 368 2HG1 VAL 31 2HG1 VAL 31 -14.032 1.198 0.301 369 3HG1 VAL 31 1HG1 VAL 31 -15.500 2.110 -0.048 370 1HG2 VAL 31 3HG2 VAL 31 -15.253 -0.005 2.193 371 2HG2 VAL 31 2HG2 VAL 31 -16.137 0.958 3.377 372 3HG2 VAL 31 1HG2 VAL 31 -16.683 0.903 1.704 373 MG1 VAL 31 QG1 VAL 31 -14.508 2.089 0.184 374 MG2 VAL 31 QG2 VAL 31 -16.024 0.619 2.425 375 QG VAL 31 QQG VAL 31 -15.266 1.354 1.305 376 H ILE 32 H ILE 32 -13.991 4.470 3.529 377 HA ILE 32 HA ILE 32 -12.357 5.798 1.667 378 HB ILE 32 HB ILE 32 -13.241 6.782 4.404 379 1HG1 ILE 32 2HG1 ILE 32 -14.571 7.147 1.704 380 2HG1 ILE 32 1HG1 ILE 32 -15.112 6.018 2.939 381 1HG2 ILE 32 1HG2 ILE 32 -11.438 8.112 3.421 382 2HG2 ILE 32 3HG2 ILE 32 -12.375 8.318 1.944 383 3HG2 ILE 32 2HG2 ILE 32 -12.946 9.029 3.457 384 1HD1 ILE 32 3HD1 ILE 32 -15.564 7.898 4.440 385 2HD1 ILE 32 2HD1 ILE 32 -15.021 9.016 3.188 386 3HD1 ILE 32 1HD1 ILE 32 -16.464 8.033 2.930 387 MG ILE 32 QG2 ILE 32 -12.253 8.486 2.941 388 MD ILE 32 QD1 ILE 32 -15.683 8.316 3.520 389 QG ILE 32 QG1 ILE 32 -14.842 6.583 2.322 390 H SER 33 H SER 33 -11.785 4.849 5.034 391 HA SER 33 HA SER 33 -9.221 5.975 5.260 392 1HB SER 33 2HB SER 33 -10.403 3.658 6.813 393 2HB SER 33 1HB SER 33 -9.031 4.655 7.307 394 HG SER 33 HG SER 33 -11.749 5.352 7.052 395 QB SER 33 QB SER 33 -9.717 4.157 7.060 396 H PHE 34 H PHE 34 -10.279 2.775 4.166 397 HA PHE 34 HA PHE 34 -7.645 1.685 4.033 398 1HB PHE 34 2HB PHE 34 -10.117 0.795 2.523 399 2HB PHE 34 1HB PHE 34 -8.631 -0.129 2.677 400 HD1 PHE 34 1HD PHE 34 -11.518 -0.914 3.361 401 HD2 PHE 34 2HD PHE 34 -8.314 0.591 5.727 402 HE1 PHE 34 1HE PHE 34 -12.481 -1.993 5.347 403 HE2 PHE 34 2HE PHE 34 -9.271 -0.487 7.713 404 HZ PHE 34 HZ PHE 34 -11.360 -1.778 7.529 405 QB PHE 34 QB PHE 34 -9.374 0.333 2.600 406 QD PHE 34 QD PHE 34 -9.916 -0.161 4.544 407 QE PHE 34 QE PHE 34 -10.876 -1.240 6.530 408 QR PHE 34 QR PHE 34 -10.589 -0.916 5.935 409 H SER 35 H SER 35 -9.755 3.320 1.720 410 HA SER 35 HA SER 35 -8.102 2.978 -0.525 411 1HB SER 35 2HB SER 35 -10.516 3.709 -0.598 412 2HB SER 35 1HB SER 35 -10.012 5.277 0.021 413 HG SER 35 HG SER 35 -9.495 5.813 -1.932 414 QB SER 35 QB SER 35 -10.264 4.493 -0.288 415 H GLN 36 H GLN 36 -8.071 5.321 2.078 416 HA GLN 36 HA GLN 36 -6.120 7.035 0.958 417 1HB GLN 36 2HB GLN 36 -6.749 6.480 3.852 418 2HB GLN 36 1HB GLN 36 -5.703 7.767 3.278 419 1HG GLN 36 2HG GLN 36 -7.604 8.746 2.073 420 2HG GLN 36 1HG GLN 36 -8.636 7.469 2.710 421 1HE2 GLN 36 1HE2 GLN 36 -9.923 8.881 3.767 422 2HE2 GLN 36 2HE2 GLN 36 -9.461 9.743 5.178 423 QB GLN 36 QB GLN 36 -6.226 7.123 3.565 424 QG GLN 36 QG GLN 36 -8.120 8.107 2.392 425 QE GLN 36 QE2 GLN 36 -9.692 9.312 4.473 426 H GLU 37 H GLU 37 -5.898 4.115 2.915 427 HA GLU 37 HA GLU 37 -3.099 4.288 3.321 428 1HB GLU 37 2HB GLU 37 -4.603 2.925 4.749 429 2HB GLU 37 1HB GLU 37 -4.863 1.830 3.396 430 1HG GLU 37 2HG GLU 37 -2.483 1.274 3.391 431 2HG GLU 37 1HG GLU 37 -2.225 2.376 4.741 432 QB GLU 37 QB GLU 37 -4.733 2.377 4.072 433 QG GLU 37 QG GLU 37 -2.354 1.825 4.066 434 H LEU 38 H LEU 38 -5.171 2.646 0.998 435 HA LEU 38 HA LEU 38 -3.313 1.229 -0.473 436 1HB LEU 38 2HB LEU 38 -5.772 1.063 -0.745 437 2HB LEU 38 1HB LEU 38 -5.811 2.660 -1.441 438 HG LEU 38 HG LEU 38 -4.369 0.364 -2.827 439 1HD1 LEU 38 1HD1 LEU 38 -7.243 1.189 -3.087 440 2HD1 LEU 38 3HD1 LEU 38 -6.393 0.067 -4.146 441 3HD1 LEU 38 2HD1 LEU 38 -6.634 -0.348 -2.452 442 1HD2 LEU 38 3HD2 LEU 38 -3.932 2.687 -3.595 443 2HD2 LEU 38 2HD2 LEU 38 -4.731 1.695 -4.817 444 3HD2 LEU 38 1HD2 LEU 38 -5.654 2.882 -3.890 445 MD1 LEU 38 QD1 LEU 38 -6.757 0.303 -3.228 446 MD2 LEU 38 QD2 LEU 38 -4.772 2.421 -4.101 447 QB LEU 38 QB LEU 38 -5.792 1.861 -1.093 448 QD LEU 38 QQD LEU 38 -5.764 1.362 -3.665 449 H ASP 39 H ASP 39 -4.434 4.552 -1.057 450 HA ASP 39 HA ASP 39 -2.709 5.225 -3.179 451 1HB ASP 39 2HB ASP 39 -4.585 6.664 -2.547 452 2HB ASP 39 1HB ASP 39 -3.825 7.004 -0.996 453 QB ASP 39 QB ASP 39 -4.205 6.834 -1.772 454 H ARG 40 H ARG 40 -2.189 5.462 0.285 455 HA ARG 40 HA ARG 40 0.336 6.692 -0.066 456 1HB ARG 40 2HB ARG 40 -0.923 5.500 2.388 457 2HB ARG 40 1HB ARG 40 0.658 6.272 2.392 458 1HG ARG 40 2HG ARG 40 -2.020 7.536 1.827 459 2HG ARG 40 1HG ARG 40 -0.892 7.902 3.135 460 1HD ARG 40 2HD ARG 40 0.767 8.598 1.354 461 2HD ARG 40 1HD ARG 40 -0.547 8.465 0.195 462 HE ARG 40 HE ARG 40 -0.763 10.226 2.506 463 1HH1 ARG 40 1HH1 ARG 40 -1.183 9.783 -1.013 464 2HH1 ARG 40 2HH1 ARG 40 -1.153 11.432 -1.361 465 1HH2 ARG 40 1HH2 ARG 40 -0.780 12.543 1.974 466 2HH2 ARG 40 2HH2 ARG 40 -0.950 13.041 0.361 467 QB ARG 40 QB ARG 40 -0.132 5.886 2.390 468 QG ARG 40 QG ARG 40 -1.456 7.719 2.481 469 QD ARG 40 QD ARG 40 0.110 8.531 0.774 470 QH1 ARG 40 QH1 ARG 40 -1.168 10.608 -1.187 471 QH2 ARG 40 QH2 ARG 40 -0.865 12.792 1.168 472 H LEU 41 H LEU 41 -0.657 3.390 0.189 473 HA LEU 41 HA LEU 41 1.935 2.313 0.530 474 1HB LEU 41 2HB LEU 41 -0.476 1.137 -0.864 475 2HB LEU 41 1HB LEU 41 0.972 0.239 -0.464 476 HG LEU 41 HG LEU 41 -0.938 1.465 1.532 477 1HD1 LEU 41 1HD1 LEU 41 -1.918 -0.428 0.354 478 2HD1 LEU 41 3HD1 LEU 41 -0.508 -1.412 0.745 479 3HD1 LEU 41 2HD1 LEU 41 -1.566 -0.831 2.032 480 1HD2 LEU 41 3HD2 LEU 41 1.478 -0.305 1.940 481 2HD2 LEU 41 2HD2 LEU 41 1.330 1.391 2.409 482 3HD2 LEU 41 1HD2 LEU 41 0.332 0.173 3.193 483 MD1 LEU 41 QD1 LEU 41 -1.331 -0.890 1.043 484 MD2 LEU 41 QD2 LEU 41 1.047 0.420 2.514 485 QB LEU 41 QB LEU 41 0.248 0.688 -0.664 486 QD LEU 41 QQD LEU 41 -0.142 -0.235 1.779 487 H LEU 42 H LEU 42 0.070 3.290 -2.291 488 HA LEU 42 HA LEU 42 1.954 2.586 -4.252 489 1HB LEU 42 2HB LEU 42 -0.244 4.579 -4.136 490 2HB LEU 42 1HB LEU 42 0.881 4.773 -5.442 491 HG LEU 42 HG LEU 42 -0.970 3.625 -6.299 492 1HD1 LEU 42 1HD1 LEU 42 1.116 2.708 -7.056 493 2HD1 LEU 42 3HD1 LEU 42 1.076 1.504 -5.764 494 3HD1 LEU 42 2HD1 LEU 42 -0.156 1.491 -7.021 495 1HD2 LEU 42 1HD2 LEU 42 -0.798 1.755 -3.960 496 2HD2 LEU 42 3HD2 LEU 42 -2.040 2.959 -4.278 497 3HD2 LEU 42 2HD2 LEU 42 -1.883 1.556 -5.339 498 MD1 LEU 42 QD1 LEU 42 0.679 1.901 -6.614 499 MD2 LEU 42 QD2 LEU 42 -1.574 2.090 -4.526 500 QB LEU 42 QB LEU 42 0.319 4.676 -4.789 501 QD LEU 42 QQD LEU 42 -0.448 1.995 -5.570 502 H ASN 43 H ASN 43 1.651 5.439 -2.236 503 HA ASN 43 HA ASN 43 3.748 6.956 -3.408 504 1HB ASN 43 2HB ASN 43 2.507 7.076 -0.661 505 2HB ASN 43 1HB ASN 43 3.863 8.101 -1.090 506 1HD2 ASN 43 1HD2 ASN 43 1.360 7.274 -3.419 507 2HD2 ASN 43 2HD2 ASN 43 0.669 8.849 -3.469 508 QB ASN 43 QB ASN 43 3.185 7.589 -0.876 509 QD ASN 43 QD2 ASN 43 1.014 8.062 -3.444 510 H LEU 44 H LEU 44 3.764 4.381 -1.144 511 HA LEU 44 HA LEU 44 6.469 4.718 -0.328 512 1HB LEU 44 2HB LEU 44 4.743 2.242 -0.299 513 2HB LEU 44 1HB LEU 44 6.264 2.433 0.554 514 HG LEU 44 HG LEU 44 3.713 3.946 1.117 515 1HD1 LEU 44 2HD1 LEU 44 3.582 1.626 1.793 516 2HD1 LEU 44 1HD1 LEU 44 5.106 1.780 2.670 517 3HD1 LEU 44 3HD1 LEU 44 3.684 2.679 3.201 518 1HD2 LEU 44 1HD2 LEU 44 6.368 3.998 2.546 519 2HD2 LEU 44 3HD2 LEU 44 5.674 5.314 1.598 520 3HD2 LEU 44 2HD2 LEU 44 4.891 4.792 3.089 521 MD1 LEU 44 QD1 LEU 44 4.124 2.028 2.555 522 MD2 LEU 44 QD2 LEU 44 5.644 4.701 2.411 523 QB LEU 44 QB LEU 44 5.504 2.338 0.128 524 QD LEU 44 QQD LEU 44 4.884 3.365 2.483 525 H LEU 45 H LEU 45 4.821 2.842 -2.840 526 HA LEU 45 HA LEU 45 7.126 1.529 -3.841 527 1HB LEU 45 2HB LEU 45 4.594 2.312 -5.255 528 2HB LEU 45 1HB LEU 45 5.832 1.300 -5.956 529 HG LEU 45 HG LEU 45 4.146 0.611 -3.550 530 1HD1 LEU 45 3HD1 LEU 45 2.935 0.638 -5.669 531 2HD1 LEU 45 2HD1 LEU 45 4.157 -0.421 -6.372 532 3HD1 LEU 45 1HD1 LEU 45 3.139 -1.004 -5.060 533 1HD2 LEU 45 3HD2 LEU 45 6.393 -0.392 -3.441 534 2HD2 LEU 45 2HD2 LEU 45 5.155 -1.607 -3.751 535 3HD2 LEU 45 1HD2 LEU 45 6.176 -1.034 -5.070 536 MD1 LEU 45 QD1 LEU 45 3.410 -0.262 -5.701 537 MD2 LEU 45 QD2 LEU 45 5.908 -1.011 -4.087 538 QB LEU 45 QB LEU 45 5.213 1.806 -5.605 539 QD LEU 45 QQD LEU 45 4.659 -0.637 -4.894 540 H ILE 46 H ILE 46 5.610 4.596 -4.586 541 HA ILE 46 HA ILE 46 7.193 5.374 -6.750 542 HB ILE 46 HB ILE 46 5.939 7.143 -4.609 543 1HG1 ILE 46 2HG1 ILE 46 4.915 6.352 -7.348 544 2HG1 ILE 46 1HG1 ILE 46 4.360 5.666 -5.829 545 1HG2 ILE 46 1HG2 ILE 46 7.665 8.365 -5.852 546 2HG2 ILE 46 3HG2 ILE 46 6.915 7.889 -7.378 547 3HG2 ILE 46 2HG2 ILE 46 6.056 8.957 -6.268 548 1HD1 ILE 46 1HD1 ILE 46 3.508 7.875 -5.161 549 2HD1 ILE 46 3HD1 ILE 46 4.080 8.535 -6.691 550 3HD1 ILE 46 2HD1 ILE 46 2.800 7.323 -6.676 551 MG ILE 46 QG2 ILE 46 6.879 8.404 -6.499 552 MD ILE 46 QD1 ILE 46 3.463 7.911 -6.176 553 QG ILE 46 QG1 ILE 46 4.637 6.009 -6.588 554 H GLU 47 H GLU 47 7.845 5.399 -3.339 555 HA GLU 47 HA GLU 47 10.163 7.023 -3.418 556 1HB GLU 47 2HB GLU 47 8.808 6.467 -1.386 557 2HB GLU 47 1HB GLU 47 9.477 4.846 -1.441 558 1HG GLU 47 2HG GLU 47 11.707 5.751 -1.105 559 2HG GLU 47 1HG GLU 47 11.037 7.384 -1.068 560 QB GLU 47 QB GLU 47 9.142 5.657 -1.413 561 QG GLU 47 QG GLU 47 11.372 6.567 -1.086 562 H LEU 48 H LEU 48 9.594 3.546 -3.708 563 HA LEU 48 HA LEU 48 12.351 2.856 -3.975 564 1HB LEU 48 2HB LEU 48 9.816 1.343 -4.589 565 2HB LEU 48 1HB LEU 48 11.370 0.699 -5.052 566 HG LEU 48 HG LEU 48 10.657 -0.370 -3.036 567 1HD1 LEU 48 3HD1 LEU 48 13.022 0.028 -3.215 568 2HD1 LEU 48 2HD1 LEU 48 12.850 1.580 -2.398 569 3HD1 LEU 48 1HD1 LEU 48 12.500 0.087 -1.532 570 1HD2 LEU 48 3HD2 LEU 48 10.439 2.370 -1.791 571 2HD2 LEU 48 2HD2 LEU 48 9.098 1.288 -2.172 572 3HD2 LEU 48 1HD2 LEU 48 10.270 0.837 -0.934 573 MD1 LEU 48 QD1 LEU 48 12.791 0.565 -2.382 574 MD2 LEU 48 QD2 LEU 48 9.936 1.498 -1.632 575 QB LEU 48 QB LEU 48 10.593 1.021 -4.820 576 QD LEU 48 QQD LEU 48 11.363 1.031 -2.007 577 H LYS 49 H LYS 49 9.804 3.681 -6.201 578 HA LYS 49 HA LYS 49 11.079 3.252 -8.664 579 1HB LYS 49 2HB LYS 49 9.172 5.430 -7.813 580 2HB LYS 49 1HB LYS 49 9.678 5.179 -9.470 581 1HG LYS 49 2HG LYS 49 8.283 3.068 -7.844 582 2HG LYS 49 1HG LYS 49 7.428 4.266 -8.811 583 1HD LYS 49 2HD LYS 49 9.464 2.307 -9.882 584 2HD LYS 49 1HD LYS 49 7.717 2.103 -9.984 585 1HE LYS 49 2HE LYS 49 9.358 4.308 -11.272 586 2HE LYS 49 1HE LYS 49 8.573 2.968 -12.086 587 1HZ LYS 49 1HZ LYS 49 6.409 3.871 -11.380 588 2HZ LYS 49 3HZ LYS 49 7.183 5.174 -10.647 589 3HZ LYS 49 2HZ LYS 49 7.280 4.995 -12.291 590 QB LYS 49 QB LYS 49 9.425 5.305 -8.642 591 QD LYS 49 QD LYS 49 8.591 2.205 -9.933 592 QG LYS 49 QG LYS 49 7.855 3.667 -8.327 593 QE LYS 49 QE LYS 49 8.965 3.638 -11.679 594 QZ LYS 49 QZ LYS 49 6.957 4.680 -11.439 595 H THR 50 H THR 50 11.179 5.954 -6.441 596 HA THR 50 HA THR 50 12.749 7.686 -7.984 597 HB THR 50 HB THR 50 12.425 7.584 -4.967 598 HG1 THR 50 1HG THR 50 10.391 7.765 -5.883 599 1HG2 THR 50 1HG2 THR 50 14.243 9.097 -5.706 600 2HG2 THR 50 3HG2 THR 50 13.119 9.896 -6.804 601 3HG2 THR 50 2HG2 THR 50 12.875 10.003 -5.063 602 MG THR 50 QG2 THR 50 13.412 9.665 -5.857 603 H LYS 51 H LYS 51 13.640 4.875 -6.122 604 HA LYS 51 HA LYS 51 16.382 5.628 -5.721 605 1HB LYS 51 2HB LYS 51 15.169 2.849 -5.681 606 2HB LYS 51 1HB LYS 51 16.704 3.333 -4.981 607 1HG LYS 51 2HG LYS 51 13.976 4.222 -4.065 608 2HG LYS 51 1HG LYS 51 14.995 3.024 -3.268 609 1HD LYS 51 2HD LYS 51 16.662 4.741 -2.810 610 2HD LYS 51 1HD LYS 51 15.691 5.927 -3.692 611 1HE LYS 51 2HE LYS 51 13.872 5.622 -2.083 612 2HE LYS 51 1HE LYS 51 14.854 4.452 -1.205 613 1HZ LYS 51 1HZ LYS 51 15.544 7.308 -1.612 614 2HZ LYS 51 3HZ LYS 51 14.876 6.677 -0.218 615 3HZ LYS 51 2HZ LYS 51 16.428 6.220 -0.676 616 QB LYS 51 QB LYS 51 15.936 3.091 -5.331 617 QD LYS 51 QD LYS 51 16.177 5.334 -3.251 618 QG LYS 51 QG LYS 51 14.485 3.623 -3.666 619 QE LYS 51 QE LYS 51 14.363 5.037 -1.644 620 QZ LYS 51 QZ LYS 51 15.616 6.735 -0.835 621 H LYS 52 H LYS 52 14.445 4.382 -8.187 622 HA LYS 52 HA LYS 52 14.620 3.619 -10.203 623 1HB LYS 52 2HB LYS 52 16.116 4.844 -11.758 624 2HB LYS 52 1HB LYS 52 15.170 5.861 -10.693 625 1HG LYS 52 2HG LYS 52 17.194 6.124 -9.268 626 2HG LYS 52 1HG LYS 52 18.113 5.246 -10.490 627 1HD LYS 52 2HD LYS 52 17.439 6.947 -12.167 628 2HD LYS 52 1HD LYS 52 16.566 7.807 -10.908 629 1HE LYS 52 2HE LYS 52 18.692 8.883 -11.241 630 2HE LYS 52 1HE LYS 52 18.690 8.092 -9.669 631 1HZ LYS 52 2HZ LYS 52 19.946 6.238 -10.703 632 2HZ LYS 52 1HZ LYS 52 20.014 7.108 -12.146 633 3HZ LYS 52 3HZ LYS 52 20.754 7.703 -10.757 634 QB LYS 52 QB LYS 52 15.643 5.353 -11.225 635 QD LYS 52 QD LYS 52 17.002 7.377 -11.538 636 QG LYS 52 QG LYS 52 17.653 5.685 -9.879 637 QE LYS 52 QE LYS 52 18.691 8.487 -10.455 638 QZ LYS 52 QZ LYS 52 20.238 7.016 -11.202 639 H LYS 53 H LYS 53 16.636 2.321 -8.261 640 HA LYS 53 HA LYS 53 18.134 0.818 -10.283 641 1HB LYS 53 2HB LYS 53 19.441 -0.014 -8.392 642 2HB LYS 53 1HB LYS 53 19.367 1.748 -8.396 643 1HG LYS 53 2HG LYS 53 17.754 1.749 -6.619 644 2HG LYS 53 1HG LYS 53 17.603 -0.001 -6.693 645 1HD LYS 53 2HD LYS 53 20.011 -0.185 -6.103 646 2HD LYS 53 1HD LYS 53 20.047 1.564 -5.879 647 1HE LYS 53 2HE LYS 53 18.369 1.410 -4.157 648 2HE LYS 53 1HE LYS 53 18.229 -0.328 -4.404 649 1HZ LYS 53 1HZ LYS 53 20.521 -0.564 -3.681 650 2HZ LYS 53 3HZ LYS 53 20.631 1.105 -3.416 651 3HZ LYS 53 2HZ LYS 53 19.563 0.166 -2.497 652 QB LYS 53 QB LYS 53 19.404 0.867 -8.394 653 QD LYS 53 QD LYS 53 20.029 0.689 -5.991 654 QG LYS 53 QG LYS 53 17.678 0.874 -6.656 655 QE LYS 53 QE LYS 53 18.299 0.541 -4.280 656 QZ LYS 53 QZ LYS 53 20.238 0.236 -3.198 657 H ARG 54 H ARG 54 15.246 0.682 -9.521 658 HA ARG 54 HA ARG 54 15.067 -2.074 -8.595 659 1HB ARG 54 2HB ARG 54 13.101 0.197 -8.552 660 2HB ARG 54 1HB ARG 54 12.581 -1.449 -8.259 661 1HG ARG 54 2HG ARG 54 14.657 0.052 -6.650 662 2HG ARG 54 1HG ARG 54 12.978 -0.220 -6.169 663 1HD ARG 54 2HD ARG 54 13.343 -2.616 -6.100 664 2HD ARG 54 1HD ARG 54 14.977 -2.431 -6.725 665 HE ARG 54 HE ARG 54 14.917 -0.946 -4.442 666 1HH1 ARG 54 1HH1 ARG 54 14.247 -4.400 -5.195 667 2HH1 ARG 54 2HH1 ARG 54 14.814 -4.939 -3.698 668 1HH2 ARG 54 1HH2 ARG 54 15.738 -1.792 -2.395 669 2HH2 ARG 54 2HH2 ARG 54 15.691 -3.463 -2.121 670 QB ARG 54 QB ARG 54 12.841 -0.626 -8.405 671 QG ARG 54 QG ARG 54 13.818 -0.084 -6.409 672 QD ARG 54 QD ARG 54 14.160 -2.524 -6.413 673 QH1 ARG 54 QH1 ARG 54 14.530 -4.669 -4.447 674 QH2 ARG 54 QH2 ARG 54 15.714 -2.628 -2.258 675 H TYR 55 H TYR 55 13.452 -3.454 -9.567 676 HA TYR 55 HA TYR 55 14.071 -3.623 -12.325 677 1HB TYR 55 2HB TYR 55 12.249 -5.345 -10.651 678 2HB TYR 55 1HB TYR 55 12.770 -5.716 -12.293 679 HD1 TYR 55 1HD TYR 55 13.580 -5.920 -8.813 680 HD2 TYR 55 2HD TYR 55 15.273 -6.011 -12.714 681 HE1 TYR 55 1HE TYR 55 15.592 -6.993 -7.909 682 HE2 TYR 55 2HE TYR 55 17.289 -7.093 -11.814 683 HH TYR 55 HH TYR 55 18.452 -7.192 -9.578 684 QB TYR 55 QB TYR 55 12.510 -5.531 -11.472 685 QD TYR 55 QD TYR 55 14.426 -5.965 -10.763 686 QE TYR 55 QE TYR 55 16.441 -7.043 -9.862 687 QR TYR 55 QR TYR 55 15.433 -6.504 -10.313 688 H SER 56 H SER 56 11.603 -1.994 -10.767 689 HA SER 56 HA SER 56 9.592 -2.277 -12.714 690 1HB SER 56 2HB SER 56 8.933 -0.025 -11.502 691 2HB SER 56 1HB SER 56 8.801 -1.572 -10.657 692 HG SER 56 HG SER 56 10.140 -0.821 -9.295 693 QB SER 56 QB SER 56 8.867 -0.798 -11.079 694 H LEU 57 H LEU 57 12.455 -0.359 -12.413 695 HA LEU 57 HA LEU 57 11.723 1.030 -14.882 696 1HB LEU 57 2HB LEU 57 13.724 1.798 -12.772 697 2HB LEU 57 1HB LEU 57 13.592 2.602 -14.323 698 HG LEU 57 HG LEU 57 11.429 2.494 -12.219 699 1HD1 LEU 57 2HD1 LEU 57 13.219 4.745 -13.104 700 2HD1 LEU 57 1HD1 LEU 57 11.871 4.880 -11.973 701 3HD1 LEU 57 3HD1 LEU 57 13.273 3.901 -11.557 702 1HD2 LEU 57 3HD2 LEU 57 11.530 3.921 -14.882 703 2HD2 LEU 57 2HD2 LEU 57 10.455 2.592 -14.442 704 3HD2 LEU 57 1HD2 LEU 57 10.293 4.152 -13.647 705 MD1 LEU 57 QD1 LEU 57 12.788 4.509 -12.211 706 MD2 LEU 57 QD2 LEU 57 10.759 3.555 -14.324 707 QB LEU 57 QB LEU 57 13.658 2.200 -13.548 708 QD LEU 57 QQD LEU 57 11.773 4.032 -13.267 709 H LEU 58 H LEU 58 14.034 -1.099 -13.422 710 HA LEU 58 HA LEU 58 15.960 -0.921 -15.512 711 1HB LEU 58 2HB LEU 58 15.553 -3.164 -13.532 712 2HB LEU 58 1HB LEU 58 16.926 -2.976 -14.583 713 HG LEU 58 HG LEU 58 16.188 -1.139 -12.311 714 1HD1 LEU 58 1HD1 LEU 58 17.053 -3.289 -11.582 715 2HD1 LEU 58 3HD1 LEU 58 18.450 -3.105 -12.645 716 3HD1 LEU 58 2HD1 LEU 58 18.228 -2.005 -11.287 717 1HD2 LEU 58 1HD2 LEU 58 18.551 -1.064 -14.195 718 2HD2 LEU 58 3HD2 LEU 58 17.239 0.116 -14.119 719 3HD2 LEU 58 2HD2 LEU 58 18.349 -0.061 -12.761 720 MD1 LEU 58 QD1 LEU 58 17.910 -2.799 -11.838 721 MD2 LEU 58 QD2 LEU 58 18.047 -0.336 -13.692 722 QB LEU 58 QB LEU 58 16.239 -3.070 -14.058 723 QD LEU 58 QQD LEU 58 17.978 -1.568 -12.765 724 H GLU 59 H GLU 59 13.095 -2.884 -15.008 725 HA GLU 59 HA GLU 59 13.698 -4.338 -17.433 726 1HB GLU 59 2HB GLU 59 11.735 -4.880 -15.207 727 2HB GLU 59 1HB GLU 59 11.906 -5.862 -16.656 728 1HG GLU 59 2HG GLU 59 14.080 -5.390 -14.641 729 2HG GLU 59 1HG GLU 59 13.033 -6.808 -14.665 730 QB GLU 59 QB GLU 59 11.821 -5.371 -15.931 731 QG GLU 59 QG GLU 59 13.557 -6.099 -14.653 732 H HIS 60 H HIS 60 12.764 -3.561 -19.097 733 HA HIS 60 HA HIS 60 10.794 -1.546 -19.007 734 1HB HIS 60 2HB HIS 60 10.632 -1.859 -21.533 735 2HB HIS 60 1HB HIS 60 12.228 -1.479 -20.922 736 HD1 HIS 60 1HD HIS 60 14.111 -3.078 -21.642 737 HD2 HIS 60 2HD HIS 60 10.310 -4.631 -22.329 738 HE1 HIS 60 1HE HIS 60 14.443 -5.178 -22.955 739 QB HIS 60 QB HIS 60 11.430 -1.669 -21.228 740 H HIS 61 H HIS 61 8.780 -1.777 -18.423 741 HA HIS 61 HA HIS 61 7.318 -3.962 -19.612 742 1HB HIS 61 2HB HIS 61 6.151 -4.550 -17.548 743 2HB HIS 61 1HB HIS 61 7.877 -4.714 -17.323 744 HD1 HIS 61 1HD HIS 61 4.886 -2.866 -16.056 745 HD2 HIS 61 2HD HIS 61 8.999 -2.875 -15.466 746 HE1 HIS 61 1HE HIS 61 5.286 -1.605 -13.925 747 QB HIS 61 QB HIS 61 7.014 -4.632 -17.435 748 H HIS 62 H HIS 62 5.628 -3.369 -20.570 749 HA HIS 62 HA HIS 62 3.890 -2.281 -21.382 750 1HB HIS 62 2HB HIS 62 2.914 -2.652 -19.164 751 2HB HIS 62 1HB HIS 62 3.604 -1.142 -18.588 752 HD1 HIS 62 1HD HIS 62 1.968 0.754 -18.631 753 HD2 HIS 62 2HD HIS 62 1.043 -2.162 -21.428 754 HE1 HIS 62 1HE HIS 62 -0.194 1.472 -19.702 755 QB HIS 62 QB HIS 62 3.259 -1.897 -18.876 756 H HIS 63 H HIS 63 4.692 -1.058 -22.922 757 HA HIS 63 HA HIS 63 5.618 1.621 -22.284 758 1HB HIS 63 2HB HIS 63 6.842 0.142 -23.948 759 2HB HIS 63 1HB HIS 63 5.434 0.275 -24.992 760 HD1 HIS 63 1HD HIS 63 8.392 2.198 -23.764 761 HD2 HIS 63 2HD HIS 63 5.135 2.732 -26.276 762 HE1 HIS 63 1HE HIS 63 8.856 4.306 -25.055 763 QB HIS 63 QB HIS 63 6.138 0.208 -24.470 764 H HIS 64 H HIS 64 4.209 3.200 -22.266 765 HA HIS 64 HA HIS 64 1.678 2.820 -23.676 766 1HB HIS 64 2HB HIS 64 1.572 3.024 -21.168 767 2HB HIS 64 1HB HIS 64 2.233 4.647 -21.328 768 HD1 HIS 64 1HD HIS 64 0.569 6.516 -21.898 769 HD2 HIS 64 2HD HIS 64 -1.050 2.701 -22.208 770 HE1 HIS 64 1HE HIS 64 -1.908 6.830 -22.198 771 QB HIS 64 QB HIS 64 1.903 3.836 -21.248 No H/Q in entry = 771 Start of MODEL 21 1 H1 MET 1 3HT MET 1 11.755 -3.470 0.667 2 H2 MET 1 2HT MET 1 12.388 -4.451 1.913 3 H3 MET 1 1HT MET 1 13.223 -4.246 0.463 4 HA MET 1 HA MET 1 12.217 -6.369 0.429 5 1HB MET 1 2HB MET 1 9.655 -4.770 0.724 6 2HB MET 1 1HB MET 1 9.702 -6.442 0.192 7 1HG MET 1 2HG MET 1 10.692 -7.077 2.358 8 2HG MET 1 1HG MET 1 10.578 -5.395 2.873 9 1HE MET 1 1HE MET 1 9.259 -6.314 5.033 10 2HE MET 1 3HE MET 1 7.772 -7.255 4.934 11 3HE MET 1 2HE MET 1 9.298 -7.967 4.412 12 QB MET 1 QB MET 1 9.678 -5.606 0.458 13 QG MET 1 QG MET 1 10.635 -6.236 2.615 14 ME MET 1 QE MET 1 8.777 -7.178 4.793 15 H ASN 2 H ASN 2 10.947 -7.109 -1.530 16 HA ASN 2 HA ASN 2 11.745 -5.506 -3.778 17 1HB ASN 2 2HB ASN 2 10.323 -8.188 -3.585 18 2HB ASN 2 1HB ASN 2 10.783 -7.437 -5.101 19 1HD2 ASN 2 1HD2 ASN 2 12.118 -9.167 -5.650 20 2HD2 ASN 2 2HD2 ASN 2 13.613 -9.465 -4.852 21 QB ASN 2 QB ASN 2 10.553 -7.813 -4.343 22 QD ASN 2 QD2 ASN 2 12.866 -9.316 -5.251 23 H VAL 3 H VAL 3 10.330 -4.478 -5.210 24 HA VAL 3 HA VAL 3 7.993 -3.531 -3.919 25 HB VAL 3 HB VAL 3 7.551 -2.169 -5.937 26 1HG1 VAL 3 3HG1 VAL 3 10.367 -2.050 -4.873 27 2HG1 VAL 3 2HG1 VAL 3 9.560 -0.743 -5.735 28 3HG1 VAL 3 1HG1 VAL 3 8.946 -1.281 -4.171 29 1HG2 VAL 3 2HG2 VAL 3 8.453 -3.687 -7.647 30 2HG2 VAL 3 1HG2 VAL 3 9.194 -2.089 -7.754 31 3HG2 VAL 3 3HG2 VAL 3 10.080 -3.420 -7.017 32 MG1 VAL 3 QG1 VAL 3 9.624 -1.358 -4.926 33 MG2 VAL 3 QG2 VAL 3 9.242 -3.065 -7.473 34 QG VAL 3 QQG VAL 3 9.433 -2.212 -6.199 35 H THR 4 H THR 4 8.554 -6.039 -6.137 36 HA THR 4 HA THR 4 5.914 -6.291 -7.060 37 HB THR 4 HB THR 4 7.778 -7.438 -8.197 38 HG1 THR 4 1HG THR 4 5.788 -8.343 -8.510 39 1HG2 THR 4 3HG2 THR 4 9.116 -8.039 -6.249 40 2HG2 THR 4 2HG2 THR 4 7.891 -9.213 -5.764 41 3HG2 THR 4 1HG2 THR 4 8.800 -9.455 -7.258 42 MG THR 4 QG2 THR 4 8.602 -8.902 -6.424 43 H LYS 5 H LYS 5 7.518 -7.525 -4.129 44 HA LYS 5 HA LYS 5 5.159 -8.844 -3.318 45 1HB LYS 5 2HB LYS 5 7.869 -8.587 -2.288 46 2HB LYS 5 1HB LYS 5 6.636 -8.651 -1.029 47 1HG LYS 5 2HG LYS 5 6.844 -10.615 -3.280 48 2HG LYS 5 1HG LYS 5 7.549 -10.856 -1.675 49 1HD LYS 5 2HD LYS 5 5.334 -10.652 -0.658 50 2HD LYS 5 1HD LYS 5 4.611 -10.329 -2.219 51 1HE LYS 5 2HE LYS 5 5.180 -12.551 -2.979 52 2HE LYS 5 1HE LYS 5 5.993 -12.876 -1.444 53 1HZ LYS 5 2HZ LYS 5 3.088 -12.207 -1.639 54 2HZ LYS 5 1HZ LYS 5 3.710 -13.781 -1.579 55 3HZ LYS 5 3HZ LYS 5 3.943 -12.733 -0.295 56 QB LYS 5 QB LYS 5 7.252 -8.619 -1.659 57 QD LYS 5 QD LYS 5 4.973 -10.490 -1.438 58 QG LYS 5 QG LYS 5 7.196 -10.736 -2.478 59 QE LYS 5 QE LYS 5 5.586 -12.713 -2.212 60 QZ LYS 5 QZ LYS 5 3.580 -12.907 -1.171 61 H LEU 6 H LEU 6 6.539 -5.733 -2.819 62 HA LEU 6 HA LEU 6 4.831 -4.832 -0.771 63 1HB LEU 6 2HB LEU 6 6.803 -3.561 -1.633 64 2HB LEU 6 1HB LEU 6 5.924 -3.304 -3.127 65 HG LEU 6 HG LEU 6 4.274 -1.928 -1.936 66 1HD1 LEU 6 2HD1 LEU 6 6.058 -2.344 0.458 67 2HD1 LEU 6 1HD1 LEU 6 4.712 -1.209 0.359 68 3HD1 LEU 6 3HD1 LEU 6 4.411 -2.943 0.268 69 1HD2 LEU 6 1HD2 LEU 6 6.209 -0.881 -2.990 70 2HD2 LEU 6 3HD2 LEU 6 5.736 -0.014 -1.530 71 3HD2 LEU 6 2HD2 LEU 6 7.135 -1.084 -1.503 72 MD1 LEU 6 QD1 LEU 6 5.060 -2.165 0.362 73 MD2 LEU 6 QD2 LEU 6 6.360 -0.660 -2.008 74 QB LEU 6 QB LEU 6 6.364 -3.433 -2.380 75 QD LEU 6 QQD LEU 6 5.710 -1.412 -0.823 76 H ASN 7 H ASN 7 4.547 -4.916 -4.279 77 HA ASN 7 HA ASN 7 2.011 -3.776 -4.509 78 1HB ASN 7 2HB ASN 7 3.566 -4.064 -6.422 79 2HB ASN 7 1HB ASN 7 3.307 -5.802 -6.346 80 1HD2 ASN 7 1HD2 ASN 7 1.929 -2.744 -7.196 81 2HD2 ASN 7 2HD2 ASN 7 0.597 -3.345 -8.104 82 QB ASN 7 QB ASN 7 3.437 -4.933 -6.384 83 QD ASN 7 QD2 ASN 7 1.263 -3.044 -7.650 84 H ASP 8 H ASP 8 3.042 -7.141 -4.108 85 HA ASP 8 HA ASP 8 0.565 -8.424 -4.360 86 1HB ASP 8 2HB ASP 8 2.678 -9.679 -4.261 87 2HB ASP 8 1HB ASP 8 2.900 -9.174 -2.591 88 QB ASP 8 QB ASP 8 2.789 -9.427 -3.426 89 H ARG 9 H ARG 9 2.011 -6.881 -1.574 90 HA ARG 9 HA ARG 9 0.051 -7.571 0.364 91 1HB ARG 9 2HB ARG 9 1.773 -5.097 0.185 92 2HB ARG 9 1HB ARG 9 0.878 -5.607 1.604 93 1HG ARG 9 2HG ARG 9 2.268 -7.559 1.827 94 2HG ARG 9 1HG ARG 9 3.114 -7.161 0.326 95 1HD ARG 9 2HD ARG 9 4.413 -6.456 2.290 96 2HD ARG 9 1HD ARG 9 3.907 -5.076 1.315 97 HE ARG 9 HE ARG 9 2.088 -5.695 3.404 98 1HH1 ARG 9 1HH1 ARG 9 5.146 -3.995 2.759 99 2HH1 ARG 9 2HH1 ARG 9 4.944 -2.886 4.037 100 1HH2 ARG 9 1HH2 ARG 9 1.842 -4.139 5.147 101 2HH2 ARG 9 2HH2 ARG 9 3.041 -2.966 5.403 102 QB ARG 9 QB ARG 9 1.325 -5.352 0.895 103 QG ARG 9 QG ARG 9 2.691 -7.360 1.076 104 QD ARG 9 QD ARG 9 4.160 -5.766 1.802 105 QH1 ARG 9 QH1 ARG 9 5.045 -3.441 3.398 106 QH2 ARG 9 QH2 ARG 9 2.441 -3.553 5.275 107 H ILE 10 H ILE 10 0.495 -4.745 -1.664 108 HA ILE 10 HA ILE 10 -1.752 -3.279 -0.849 109 HB ILE 10 HB ILE 10 -0.236 -3.183 -3.469 110 1HG1 ILE 10 2HG1 ILE 10 0.075 -1.554 -0.948 111 2HG1 ILE 10 1HG1 ILE 10 1.139 -2.852 -1.454 112 1HG2 ILE 10 1HG2 ILE 10 -2.416 -2.074 -3.671 113 2HG2 ILE 10 3HG2 ILE 10 -2.078 -1.125 -2.225 114 3HG2 ILE 10 2HG2 ILE 10 -1.115 -0.887 -3.681 115 1HD1 ILE 10 2HD1 ILE 10 0.682 -0.288 -2.946 116 2HD1 ILE 10 1HD1 ILE 10 2.089 -0.679 -1.953 117 3HD1 ILE 10 3HD1 ILE 10 1.764 -1.596 -3.424 118 MG ILE 10 QG2 ILE 10 -1.870 -1.362 -3.192 119 MD ILE 10 QD1 ILE 10 1.512 -0.854 -2.775 120 QG ILE 10 QG1 ILE 10 0.607 -2.203 -1.201 121 H GLU 11 H GLU 11 -1.238 -5.516 -3.533 122 HA GLU 11 HA GLU 11 -3.614 -5.190 -4.922 123 1HB GLU 11 2HB GLU 11 -1.574 -6.510 -5.610 124 2HB GLU 11 1HB GLU 11 -2.164 -7.800 -4.578 125 1HG GLU 11 2HG GLU 11 -2.821 -8.292 -6.822 126 2HG GLU 11 1HG GLU 11 -4.249 -7.854 -5.889 127 QB GLU 11 QB GLU 11 -1.869 -7.155 -5.094 128 QG GLU 11 QG GLU 11 -3.535 -8.073 -6.355 129 H ALA 12 H ALA 12 -2.867 -7.266 -2.176 130 HA ALA 12 HA ALA 12 -5.337 -8.614 -2.084 131 1HB ALA 12 3HB ALA 12 -3.310 -9.393 -0.939 132 2HB ALA 12 1HB ALA 12 -4.673 -9.261 0.176 133 3HB ALA 12 2HB ALA 12 -3.413 -8.022 0.163 134 MB ALA 12 QB ALA 12 -3.799 -8.892 -0.200 135 H LYS 13 H LYS 13 -4.238 -5.551 -0.789 136 HA LYS 13 HA LYS 13 -6.547 -5.227 0.894 137 1HB LYS 13 2HB LYS 13 -4.363 -3.288 0.119 138 2HB LYS 13 1HB LYS 13 -5.660 -2.911 1.241 139 1HG LYS 13 2HG LYS 13 -3.609 -5.088 1.619 140 2HG LYS 13 1HG LYS 13 -3.568 -3.502 2.384 141 1HD LYS 13 2HD LYS 13 -5.708 -3.987 3.498 142 2HD LYS 13 1HD LYS 13 -5.742 -5.578 2.737 143 1HE LYS 13 2HE LYS 13 -4.952 -5.723 5.037 144 2HE LYS 13 1HE LYS 13 -3.688 -6.186 3.906 145 1HZ LYS 13 2HZ LYS 13 -3.907 -3.527 5.237 146 2HZ LYS 13 1HZ LYS 13 -2.839 -4.749 5.649 147 3HZ LYS 13 3HZ LYS 13 -2.713 -3.988 4.159 148 QB LYS 13 QB LYS 13 -5.012 -3.099 0.680 149 QD LYS 13 QD LYS 13 -5.725 -4.783 3.118 150 QG LYS 13 QG LYS 13 -3.588 -4.295 2.001 151 QE LYS 13 QE LYS 13 -4.320 -5.954 4.471 152 QZ LYS 13 QZ LYS 13 -3.153 -4.088 5.015 153 H LYS 14 H LYS 14 -5.470 -4.048 -2.213 154 HA LYS 14 HA LYS 14 -7.746 -2.388 -2.479 155 1HB LYS 14 2HB LYS 14 -7.035 -2.102 -4.869 156 2HB LYS 14 1HB LYS 14 -5.883 -1.592 -3.650 157 1HG LYS 14 2HG LYS 14 -4.755 -3.804 -3.945 158 2HG LYS 14 1HG LYS 14 -5.788 -4.060 -5.358 159 1HD LYS 14 2HD LYS 14 -4.064 -1.632 -4.994 160 2HD LYS 14 1HD LYS 14 -3.483 -3.099 -5.775 161 1HE LYS 14 2HE LYS 14 -5.980 -1.679 -6.670 162 2HE LYS 14 1HE LYS 14 -4.381 -1.248 -7.281 163 1HZ LYS 14 2HZ LYS 14 -5.248 -4.093 -7.435 164 2HZ LYS 14 1HZ LYS 14 -5.719 -2.954 -8.630 165 3HZ LYS 14 3HZ LYS 14 -4.121 -3.238 -8.288 166 QB LYS 14 QB LYS 14 -6.459 -1.847 -4.260 167 QD LYS 14 QD LYS 14 -3.774 -2.365 -5.384 168 QG LYS 14 QG LYS 14 -5.271 -3.932 -4.651 169 QE LYS 14 QE LYS 14 -5.181 -1.464 -6.976 170 QZ LYS 14 QZ LYS 14 -5.029 -3.428 -8.118 171 H LYS 15 H LYS 15 -7.112 -5.719 -3.472 172 HA LYS 15 HA LYS 15 -9.453 -5.848 -5.059 173 1HB LYS 15 2HB LYS 15 -9.246 -8.261 -5.032 174 2HB LYS 15 1HB LYS 15 -7.655 -7.567 -5.202 175 1HG LYS 15 2HG LYS 15 -7.386 -9.369 -3.794 176 2HG LYS 15 1HG LYS 15 -7.371 -7.977 -2.713 177 1HD LYS 15 2HD LYS 15 -8.687 -9.687 -1.689 178 2HD LYS 15 1HD LYS 15 -9.776 -8.426 -2.222 179 1HE LYS 15 2HE LYS 15 -10.341 -9.739 -4.231 180 2HE LYS 15 1HE LYS 15 -9.263 -11.020 -3.686 181 1HZ LYS 15 3HZ LYS 15 -11.679 -10.066 -2.254 182 2HZ LYS 15 2HZ LYS 15 -11.585 -11.453 -3.191 183 3HZ LYS 15 1HZ LYS 15 -10.689 -11.340 -1.762 184 QB LYS 15 QB LYS 15 -8.450 -7.914 -5.117 185 QD LYS 15 QD LYS 15 -9.231 -9.057 -1.956 186 QG LYS 15 QG LYS 15 -7.378 -8.673 -3.253 187 QE LYS 15 QE LYS 15 -9.802 -10.379 -3.959 188 QZ LYS 15 QZ LYS 15 -11.318 -10.953 -2.402 189 H GLU 16 H GLU 16 -8.875 -6.074 -1.695 190 HA GLU 16 HA GLU 16 -11.491 -6.882 -0.961 191 1HB GLU 16 2HB GLU 16 -9.545 -7.211 0.488 192 2HB GLU 16 1HB GLU 16 -9.321 -5.473 0.592 193 1HG GLU 16 2HG GLU 16 -11.381 -5.232 1.800 194 2HG GLU 16 1HG GLU 16 -11.740 -6.949 1.594 195 QB GLU 16 QB GLU 16 -9.433 -6.342 0.540 196 QG GLU 16 QG GLU 16 -11.561 -6.090 1.697 197 H LEU 17 H LEU 17 -9.759 -3.810 -1.101 198 HA LEU 17 HA LEU 17 -11.753 -2.121 -0.224 199 1HB LEU 17 2HB LEU 17 -9.422 -1.438 -0.544 200 2HB LEU 17 1HB LEU 17 -9.630 -1.563 -2.277 201 HG LEU 17 HG LEU 17 -11.257 0.283 -2.220 202 1HD1 LEU 17 3HD1 LEU 17 -10.546 0.410 0.699 203 2HD1 LEU 17 2HD1 LEU 17 -11.469 1.636 -0.168 204 3HD1 LEU 17 1HD1 LEU 17 -12.122 0.007 0.033 205 1HD2 LEU 17 1HD2 LEU 17 -8.906 0.736 -2.655 206 2HD2 LEU 17 3HD2 LEU 17 -9.657 2.057 -1.760 207 3HD2 LEU 17 2HD2 LEU 17 -8.608 0.908 -0.923 208 MD1 LEU 17 QD1 LEU 17 -11.379 0.684 0.188 209 MD2 LEU 17 QD2 LEU 17 -9.057 1.234 -1.779 210 QB LEU 17 QB LEU 17 -9.526 -1.501 -1.410 211 QD LEU 17 QQD LEU 17 -10.218 0.959 -0.796 212 H ILE 18 H ILE 18 -11.089 -3.181 -3.566 213 HA ILE 18 HA ILE 18 -13.124 -1.658 -4.768 214 HB ILE 18 HB ILE 18 -12.099 -4.375 -5.698 215 1HG1 ILE 18 2HG1 ILE 18 -11.232 -1.602 -6.562 216 2HG1 ILE 18 1HG1 ILE 18 -10.333 -2.614 -5.439 217 1HG2 ILE 18 3HG2 ILE 18 -13.551 -2.191 -7.211 218 2HG2 ILE 18 2HG2 ILE 18 -12.896 -3.658 -7.929 219 3HG2 ILE 18 1HG2 ILE 18 -14.224 -3.760 -6.766 220 1HD1 ILE 18 1HD1 ILE 18 -10.027 -4.278 -7.212 221 2HD1 ILE 18 3HD1 ILE 18 -10.930 -3.244 -8.319 222 3HD1 ILE 18 2HD1 ILE 18 -9.383 -2.699 -7.670 223 MG ILE 18 QG2 ILE 18 -13.557 -3.203 -7.302 224 MD ILE 18 QD1 ILE 18 -10.113 -3.407 -7.734 225 QG ILE 18 QG1 ILE 18 -10.782 -2.108 -6.000 226 H TYR 19 H TYR 19 -13.181 -4.890 -3.346 227 HA TYR 19 HA TYR 19 -15.875 -5.518 -3.932 228 1HB TYR 19 2HB TYR 19 -14.283 -7.236 -3.166 229 2HB TYR 19 1HB TYR 19 -14.129 -6.425 -1.616 230 HD1 TYR 19 1HD TYR 19 -16.350 -8.448 -3.743 231 HD2 TYR 19 2HD TYR 19 -15.799 -6.727 0.105 232 HE1 TYR 19 1HE TYR 19 -18.210 -9.802 -2.877 233 HE2 TYR 19 2HE TYR 19 -17.656 -8.079 0.979 234 HH TYR 19 HH TYR 19 -18.974 -10.681 -0.655 235 QB TYR 19 QB TYR 19 -14.206 -6.831 -2.391 236 QD TYR 19 QD TYR 19 -16.074 -7.587 -1.819 237 QE TYR 19 QE TYR 19 -17.933 -8.941 -0.949 238 QR TYR 19 QR TYR 19 -17.003 -8.264 -1.384 239 H LEU 20 H LEU 20 -14.355 -3.821 -1.262 240 HA LEU 20 HA LEU 20 -16.696 -3.455 0.265 241 1HB LEU 20 2HB LEU 20 -14.220 -1.727 0.228 242 2HB LEU 20 1HB LEU 20 -15.460 -1.733 1.467 243 HG LEU 20 HG LEU 20 -13.526 -3.969 0.861 244 1HD1 LEU 20 1HD1 LEU 20 -12.508 -2.102 1.984 245 2HD1 LEU 20 3HD1 LEU 20 -13.773 -2.141 3.214 246 3HD1 LEU 20 2HD1 LEU 20 -12.648 -3.490 3.064 247 1HD2 LEU 20 2HD2 LEU 20 -15.683 -3.807 2.963 248 2HD2 LEU 20 1HD2 LEU 20 -15.672 -4.887 1.569 249 3HD2 LEU 20 3HD2 LEU 20 -14.463 -5.073 2.841 250 MD1 LEU 20 QD1 LEU 20 -12.976 -2.578 2.754 251 MD2 LEU 20 QD2 LEU 20 -15.272 -4.589 2.458 252 QB LEU 20 QB LEU 20 -14.840 -1.730 0.847 253 QD LEU 20 QQD LEU 20 -14.124 -3.583 2.606 254 H VAL 21 H VAL 21 -15.217 -1.586 -2.315 255 HA VAL 21 HA VAL 21 -16.961 0.637 -2.130 256 HB VAL 21 HB VAL 21 -15.449 -0.384 -4.567 257 1HG1 VAL 21 2HG1 VAL 21 -17.280 1.122 -5.203 258 2HG1 VAL 21 1HG1 VAL 21 -16.686 2.323 -4.055 259 3HG1 VAL 21 3HG1 VAL 21 -15.711 1.891 -5.461 260 1HG2 VAL 21 2HG2 VAL 21 -13.979 0.176 -2.709 261 2HG2 VAL 21 1HG2 VAL 21 -13.818 1.357 -4.009 262 3HG2 VAL 21 3HG2 VAL 21 -14.754 1.757 -2.570 263 MG1 VAL 21 QG1 VAL 21 -16.559 1.779 -4.906 264 MG2 VAL 21 QG2 VAL 21 -14.184 1.097 -3.096 265 QG VAL 21 QQG VAL 21 -15.371 1.438 -4.001 266 H GLU 22 H GLU 22 -17.150 -2.407 -3.847 267 HA GLU 22 HA GLU 22 -19.506 -1.808 -5.290 268 1HB GLU 22 2HB GLU 22 -18.516 -4.508 -4.360 269 2HB GLU 22 1HB GLU 22 -19.716 -4.229 -5.614 270 1HG GLU 22 2HG GLU 22 -18.035 -3.119 -6.985 271 2HG GLU 22 1HG GLU 22 -16.835 -3.379 -5.722 272 QB GLU 22 QB GLU 22 -19.116 -4.368 -4.987 273 QG GLU 22 QG GLU 22 -17.435 -3.249 -6.354 274 H LYS 23 H LYS 23 -18.987 -3.525 -2.240 275 HA LYS 23 HA LYS 23 -21.830 -3.874 -1.858 276 1HB LYS 23 2HB LYS 23 -19.578 -4.598 0.009 277 2HB LYS 23 1HB LYS 23 -21.252 -5.120 0.151 278 1HG LYS 23 2HG LYS 23 -19.356 -5.821 -2.083 279 2HG LYS 23 1HG LYS 23 -19.883 -6.887 -0.782 280 1HD LYS 23 2HD LYS 23 -22.168 -6.811 -1.602 281 2HD LYS 23 1HD LYS 23 -21.721 -5.627 -2.826 282 1HE LYS 23 2HE LYS 23 -20.212 -7.261 -3.843 283 2HE LYS 23 1HE LYS 23 -20.698 -8.454 -2.639 284 1HZ LYS 23 1HZ LYS 23 -22.548 -7.148 -4.555 285 2HZ LYS 23 3HZ LYS 23 -21.885 -8.674 -4.770 286 3HZ LYS 23 2HZ LYS 23 -22.928 -8.403 -3.491 287 QB LYS 23 QB LYS 23 -20.415 -4.859 0.080 288 QD LYS 23 QD LYS 23 -21.944 -6.219 -2.214 289 QG LYS 23 QG LYS 23 -19.619 -6.354 -1.432 290 QE LYS 23 QE LYS 23 -20.455 -7.858 -3.241 291 QZ LYS 23 QZ LYS 23 -22.454 -8.075 -4.272 292 H TYR 24 H TYR 24 -19.335 -1.972 -0.163 293 HA TYR 24 HA TYR 24 -21.455 -0.891 1.534 294 1HB TYR 24 2HB TYR 24 -18.452 -0.628 1.779 295 2HB TYR 24 1HB TYR 24 -19.622 0.040 2.907 296 HD1 TYR 24 1HD TYR 24 -17.681 -2.815 2.012 297 HD2 TYR 24 2HD TYR 24 -21.133 -1.594 4.162 298 HE1 TYR 24 1HE TYR 24 -17.625 -4.916 3.268 299 HE2 TYR 24 2HE TYR 24 -21.091 -3.704 5.436 300 HH TYR 24 HH TYR 24 -20.226 -5.959 5.156 301 QB TYR 24 QB TYR 24 -19.037 -0.294 2.343 302 QD TYR 24 QD TYR 24 -19.407 -2.205 3.087 303 QE TYR 24 QE TYR 24 -19.358 -4.310 4.352 304 QR TYR 24 QR TYR 24 -19.383 -3.257 3.719 305 H GLY 25 H GLY 25 -18.984 0.074 -0.736 306 1HA GLY 25 1HA GLY 25 -20.594 2.308 -1.559 307 2HA GLY 25 2HA GLY 25 -19.071 1.811 -2.267 308 QA GLY 25 QA GLY 25 -19.833 2.059 -1.913 309 H PHE 26 H PHE 26 -18.547 4.046 -2.421 310 HA PHE 26 HA PHE 26 -17.154 4.948 -0.154 311 1HB PHE 26 2HB PHE 26 -17.561 6.151 -2.864 312 2HB PHE 26 1HB PHE 26 -16.897 7.126 -1.567 313 HD1 PHE 26 1HD PHE 26 -16.209 4.704 -4.084 314 HD2 PHE 26 2HD PHE 26 -14.812 6.312 -0.422 315 HE1 PHE 26 1HE PHE 26 -13.963 3.826 -4.561 316 HE2 PHE 26 2HE PHE 26 -12.568 5.443 -0.878 317 HZ PHE 26 HZ PHE 26 -12.139 4.194 -2.955 318 QB PHE 26 QB PHE 26 -17.229 6.639 -2.216 319 QD PHE 26 QD PHE 26 -15.510 5.508 -2.253 320 QE PHE 26 QE PHE 26 -13.265 4.635 -2.720 321 QR PHE 26 QR PHE 26 -13.938 4.896 -2.580 322 H THR 27 H THR 27 -18.586 5.168 1.354 323 HA THR 27 HA THR 27 -19.682 7.685 1.816 324 HB THR 27 HB THR 27 -21.570 6.769 0.384 325 HG1 THR 27 1HG THR 27 -21.923 8.250 2.091 326 1HG2 THR 27 2HG2 THR 27 -21.410 4.386 0.986 327 2HG2 THR 27 1HG2 THR 27 -21.915 4.762 2.632 328 3HG2 THR 27 3HG2 THR 27 -23.036 4.994 1.289 329 MG THR 27 QG2 THR 27 -22.120 4.714 1.635 330 H HIS 28 H HIS 28 -19.289 4.316 2.500 331 HA HIS 28 HA HIS 28 -19.465 4.520 5.323 332 1HB HIS 28 2HB HIS 28 -18.354 2.527 3.380 333 2HB HIS 28 1HB HIS 28 -17.958 2.391 5.088 334 HD1 HIS 28 1HD HIS 28 -20.985 2.205 2.745 335 HD2 HIS 28 2HD HIS 28 -19.802 1.305 6.624 336 HE1 HIS 28 1HE HIS 28 -22.877 0.937 3.754 337 QB HIS 28 QB HIS 28 -18.156 2.459 4.234 338 H HIS 29 H HIS 29 -17.958 5.201 6.697 339 HA HIS 29 HA HIS 29 -15.730 6.648 5.770 340 1HB HIS 29 2HB HIS 29 -16.823 7.141 7.946 341 2HB HIS 29 1HB HIS 29 -16.272 5.593 8.570 342 HD1 HIS 29 1HD HIS 29 -15.019 9.080 7.809 343 HD2 HIS 29 2HD HIS 29 -13.590 5.479 9.312 344 HE1 HIS 29 1HE HIS 29 -12.780 9.583 8.817 345 QB HIS 29 QB HIS 29 -16.547 6.367 8.258 346 H LYS 30 H LYS 30 -16.168 3.387 6.863 347 HA LYS 30 HA LYS 30 -13.599 2.412 7.114 348 1HB LYS 30 2HB LYS 30 -16.055 1.151 5.909 349 2HB LYS 30 1HB LYS 30 -14.554 0.263 6.117 350 1HG LYS 30 2HG LYS 30 -16.090 1.580 8.344 351 2HG LYS 30 1HG LYS 30 -16.226 -0.118 7.907 352 1HD LYS 30 2HD LYS 30 -13.824 -0.424 8.332 353 2HD LYS 30 1HD LYS 30 -13.679 1.271 8.777 354 1HE LYS 30 2HE LYS 30 -15.366 -0.784 10.200 355 2HE LYS 30 1HE LYS 30 -13.800 -0.191 10.726 356 1HZ LYS 30 1HZ LYS 30 -14.756 2.032 10.910 357 2HZ LYS 30 3HZ LYS 30 -16.275 1.426 10.476 358 3HZ LYS 30 2HZ LYS 30 -15.535 0.917 11.886 359 QB LYS 30 QB LYS 30 -15.305 0.707 6.013 360 QD LYS 30 QD LYS 30 -13.752 0.424 8.554 361 QG LYS 30 QG LYS 30 -16.158 0.731 8.126 362 QE LYS 30 QE LYS 30 -14.583 -0.488 10.463 363 QZ LYS 30 QZ LYS 30 -15.522 1.458 11.091 364 H VAL 31 H VAL 31 -15.498 2.440 4.136 365 HA VAL 31 HA VAL 31 -13.497 1.512 2.415 366 HB VAL 31 HB VAL 31 -15.871 3.275 1.739 367 1HG1 VAL 31 1HG1 VAL 31 -14.257 3.183 -0.077 368 2HG1 VAL 31 3HG1 VAL 31 -14.265 1.420 -0.013 369 3HG1 VAL 31 2HG1 VAL 31 -15.721 2.289 -0.495 370 1HG2 VAL 31 2HG2 VAL 31 -15.638 0.273 1.818 371 2HG2 VAL 31 1HG2 VAL 31 -16.569 1.269 2.928 372 3HG2 VAL 31 3HG2 VAL 31 -17.035 1.173 1.229 373 MG1 VAL 31 QG1 VAL 31 -14.748 2.297 -0.195 374 MG2 VAL 31 QG2 VAL 31 -16.414 0.905 1.992 375 QG VAL 31 QQG VAL 31 -15.581 1.601 0.898 376 H ILE 32 H ILE 32 -14.466 4.786 3.276 377 HA ILE 32 HA ILE 32 -12.737 6.104 1.464 378 HB ILE 32 HB ILE 32 -13.904 7.146 4.071 379 1HG1 ILE 32 2HG1 ILE 32 -14.937 7.438 1.241 380 2HG1 ILE 32 1HG1 ILE 32 -15.583 6.296 2.412 381 1HG2 ILE 32 3HG2 ILE 32 -12.779 8.610 1.676 382 2HG2 ILE 32 2HG2 ILE 32 -13.578 9.380 3.046 383 3HG2 ILE 32 1HG2 ILE 32 -12.046 8.531 3.280 384 1HD1 ILE 32 3HD1 ILE 32 -16.257 8.174 3.830 385 2HD1 ILE 32 2HD1 ILE 32 -15.603 9.290 2.631 386 3HD1 ILE 32 1HD1 ILE 32 -16.977 8.262 2.222 387 MG ILE 32 QG2 ILE 32 -12.801 8.840 2.667 388 MD ILE 32 QD1 ILE 32 -16.279 8.575 2.894 389 QG ILE 32 QG1 ILE 32 -15.260 6.867 1.826 390 H SER 33 H SER 33 -12.374 5.140 4.847 391 HA SER 33 HA SER 33 -9.854 6.325 5.249 392 1HB SER 33 2HB SER 33 -11.439 5.615 7.060 393 2HB SER 33 1HB SER 33 -11.058 3.940 6.681 394 HG SER 33 HG SER 33 -8.790 5.354 7.065 395 QB SER 33 QB SER 33 -11.248 4.778 6.871 396 H PHE 34 H PHE 34 -10.843 3.033 4.261 397 HA PHE 34 HA PHE 34 -8.206 2.013 4.129 398 1HB PHE 34 2HB PHE 34 -10.653 1.112 2.613 399 2HB PHE 34 1HB PHE 34 -9.137 0.226 2.667 400 HD1 PHE 34 1HD PHE 34 -12.165 -0.281 3.559 401 HD2 PHE 34 2HD PHE 34 -8.504 0.461 5.579 402 HE1 PHE 34 1HE PHE 34 -13.015 -1.471 5.498 403 HE2 PHE 34 2HE PHE 34 -9.348 -0.737 7.553 404 HZ PHE 34 HZ PHE 34 -11.610 -1.709 7.521 405 QB PHE 34 QB PHE 34 -9.895 0.669 2.640 406 QD PHE 34 QD PHE 34 -10.335 0.090 4.569 407 QE PHE 34 QE PHE 34 -11.182 -1.104 6.525 408 QR PHE 34 QR PHE 34 -10.928 -0.747 5.942 409 H SER 35 H SER 35 -10.178 3.770 1.844 410 HA SER 35 HA SER 35 -8.492 3.344 -0.379 411 1HB SER 35 2HB SER 35 -10.885 4.177 -0.466 412 2HB SER 35 1HB SER 35 -10.296 5.738 0.089 413 HG SER 35 HG SER 35 -9.048 5.891 -1.800 414 QB SER 35 QB SER 35 -10.590 4.957 -0.188 415 H GLN 36 H GLN 36 -8.641 5.927 2.058 416 HA GLN 36 HA GLN 36 -6.502 7.469 1.023 417 1HB GLN 36 2HB GLN 36 -7.557 7.236 3.848 418 2HB GLN 36 1HB GLN 36 -6.395 8.443 3.328 419 1HG GLN 36 2HG GLN 36 -8.034 9.368 1.786 420 2HG GLN 36 1HG GLN 36 -9.192 8.131 2.269 421 1HE2 GLN 36 1HE2 GLN 36 -10.172 8.278 4.243 422 2HE2 GLN 36 2HE2 GLN 36 -10.163 9.716 5.198 423 QB GLN 36 QB GLN 36 -6.976 7.840 3.588 424 QG GLN 36 QG GLN 36 -8.613 8.749 2.028 425 QE GLN 36 QE2 GLN 36 -10.167 8.997 4.721 426 H GLU 37 H GLU 37 -6.648 4.725 3.168 427 HA GLU 37 HA GLU 37 -3.945 4.743 3.982 428 1HB GLU 37 2HB GLU 37 -5.805 3.547 5.131 429 2HB GLU 37 1HB GLU 37 -5.892 2.441 3.771 430 1HG GLU 37 2HG GLU 37 -4.709 1.494 5.674 431 2HG GLU 37 1HG GLU 37 -3.679 1.633 4.248 432 QB GLU 37 QB GLU 37 -5.848 2.994 4.451 433 QG GLU 37 QG GLU 37 -4.194 1.564 4.961 434 H LEU 38 H LEU 38 -5.746 3.087 1.446 435 HA LEU 38 HA LEU 38 -3.655 1.635 0.308 436 1HB LEU 38 2HB LEU 38 -6.232 1.505 -0.054 437 2HB LEU 38 1HB LEU 38 -5.996 2.761 -1.238 438 HG LEU 38 HG LEU 38 -6.248 0.531 -2.238 439 1HD1 LEU 38 1HD1 LEU 38 -3.504 1.674 -2.677 440 2HD1 LEU 38 3HD1 LEU 38 -4.313 0.516 -3.733 441 3HD1 LEU 38 2HD1 LEU 38 -4.986 2.132 -3.517 442 1HD2 LEU 38 3HD2 LEU 38 -5.286 -0.796 -0.449 443 2HD2 LEU 38 2HD2 LEU 38 -4.512 -1.171 -1.986 444 3HD2 LEU 38 1HD2 LEU 38 -3.684 -0.156 -0.810 445 MD1 LEU 38 QD1 LEU 38 -4.268 1.441 -3.309 446 MD2 LEU 38 QD2 LEU 38 -4.494 -0.708 -1.082 447 QB LEU 38 QB LEU 38 -6.114 2.133 -0.646 448 QD LEU 38 QQD LEU 38 -4.381 0.367 -2.195 449 H ASP 39 H ASP 39 -4.821 4.937 -0.240 450 HA ASP 39 HA ASP 39 -3.183 5.639 -2.381 451 1HB ASP 39 2HB ASP 39 -4.266 7.336 -0.137 452 2HB ASP 39 1HB ASP 39 -3.221 8.020 -1.371 453 QB ASP 39 QB ASP 39 -3.744 7.678 -0.754 454 H ARG 40 H ARG 40 -2.456 5.711 1.063 455 HA ARG 40 HA ARG 40 0.133 6.758 0.591 456 1HB ARG 40 2HB ARG 40 -0.942 7.090 2.772 457 2HB ARG 40 1HB ARG 40 -0.898 5.357 3.069 458 1HG ARG 40 2HG ARG 40 0.881 6.516 4.293 459 2HG ARG 40 1HG ARG 40 1.537 5.403 3.097 460 1HD ARG 40 2HD ARG 40 1.879 7.319 1.549 461 2HD ARG 40 1HD ARG 40 1.309 8.409 2.814 462 HE ARG 40 HE ARG 40 3.250 7.187 4.088 463 1HH1 ARG 40 1HH1 ARG 40 3.287 8.569 0.847 464 2HH1 ARG 40 2HH1 ARG 40 4.987 8.769 0.778 465 1HH2 ARG 40 1HH2 ARG 40 5.520 7.489 4.046 466 2HH2 ARG 40 2HH2 ARG 40 6.314 8.159 2.678 467 QB ARG 40 QB ARG 40 -0.920 6.223 2.921 468 QG ARG 40 QG ARG 40 1.209 5.959 3.695 469 QD ARG 40 QD ARG 40 1.594 7.864 2.181 470 QH1 ARG 40 QH1 ARG 40 4.137 8.669 0.813 471 QH2 ARG 40 QH2 ARG 40 5.917 7.824 3.362 472 H LEU 41 H LEU 41 -1.117 3.486 0.958 473 HA LEU 41 HA LEU 41 1.373 2.161 0.885 474 1HB LEU 41 2HB LEU 41 -1.408 1.324 0.260 475 2HB LEU 41 1HB LEU 41 -0.101 0.313 -0.320 476 HG LEU 41 HG LEU 41 0.684 0.022 2.005 477 1HD1 LEU 41 3HD1 LEU 41 -0.118 2.071 2.982 478 2HD1 LEU 41 2HD1 LEU 41 -1.787 1.540 2.771 479 3HD1 LEU 41 1HD1 LEU 41 -0.713 0.672 3.871 480 1HD2 LEU 41 1HD2 LEU 41 -2.196 -0.710 1.524 481 2HD2 LEU 41 3HD2 LEU 41 -0.771 -1.644 1.053 482 3HD2 LEU 41 2HD2 LEU 41 -1.152 -1.408 2.758 483 MD1 LEU 41 QD1 LEU 41 -0.872 1.428 3.208 484 MD2 LEU 41 QD2 LEU 41 -1.373 -1.254 1.778 485 QB LEU 41 QB LEU 41 -0.755 0.819 -0.030 486 QD LEU 41 QQD LEU 41 -1.123 0.087 2.493 487 H LEU 42 H LEU 42 -0.736 3.227 -1.697 488 HA LEU 42 HA LEU 42 0.728 2.206 -3.872 489 1HB LEU 42 2HB LEU 42 -1.590 3.088 -3.969 490 2HB LEU 42 1HB LEU 42 -0.965 4.700 -3.714 491 HG LEU 42 HG LEU 42 0.236 4.547 -5.872 492 1HD1 LEU 42 2HD1 LEU 42 -1.249 1.941 -6.126 493 2HD1 LEU 42 1HD1 LEU 42 -0.374 2.749 -7.429 494 3HD1 LEU 42 3HD1 LEU 42 0.500 2.150 -6.020 495 1HD2 LEU 42 3HD2 LEU 42 -2.734 4.049 -5.985 496 2HD2 LEU 42 2HD2 LEU 42 -1.947 5.605 -5.729 497 3HD2 LEU 42 1HD2 LEU 42 -1.763 4.765 -7.273 498 MD1 LEU 42 QD1 LEU 42 -0.374 2.280 -6.525 499 MD2 LEU 42 QD2 LEU 42 -2.148 4.807 -6.329 500 QB LEU 42 QB LEU 42 -1.278 3.894 -3.842 501 QD LEU 42 QQD LEU 42 -1.261 3.543 -6.427 502 H ASN 43 H ASN 43 1.061 5.006 -1.909 503 HA ASN 43 HA ASN 43 3.026 6.341 -3.498 504 1HB ASN 43 2HB ASN 43 1.801 6.817 -0.856 505 2HB ASN 43 1HB ASN 43 3.400 7.502 -1.121 506 1HD2 ASN 43 1HD2 ASN 43 0.072 7.511 -2.168 507 2HD2 ASN 43 2HD2 ASN 43 0.160 8.996 -3.035 508 QB ASN 43 QB ASN 43 2.600 7.159 -0.989 509 QD ASN 43 QD2 ASN 43 0.116 8.253 -2.601 510 H LEU 44 H LEU 44 3.176 3.737 -1.287 511 HA LEU 44 HA LEU 44 5.785 4.172 -0.317 512 1HB LEU 44 2HB LEU 44 4.270 1.591 -0.681 513 2HB LEU 44 1HB LEU 44 5.799 1.714 0.164 514 HG LEU 44 HG LEU 44 3.210 3.033 0.996 515 1HD1 LEU 44 3HD1 LEU 44 3.186 0.610 1.307 516 2HD1 LEU 44 2HD1 LEU 44 4.709 0.705 2.193 517 3HD1 LEU 44 1HD1 LEU 44 3.255 1.447 2.857 518 1HD2 LEU 44 2HD2 LEU 44 5.904 2.966 2.360 519 2HD2 LEU 44 1HD2 LEU 44 5.119 4.380 1.660 520 3HD2 LEU 44 3HD2 LEU 44 4.417 3.595 3.070 521 MD1 LEU 44 QD1 LEU 44 3.717 0.921 2.119 522 MD2 LEU 44 QD2 LEU 44 5.147 3.647 2.364 523 QB LEU 44 QB LEU 44 5.034 1.652 -0.259 524 QD LEU 44 QQD LEU 44 4.432 2.284 2.241 525 H LEU 45 H LEU 45 4.590 2.800 -3.256 526 HA LEU 45 HA LEU 45 7.030 1.713 -4.192 527 1HB LEU 45 2HB LEU 45 4.702 2.855 -5.755 528 2HB LEU 45 1HB LEU 45 6.068 2.075 -6.505 529 HG LEU 45 HG LEU 45 5.442 -0.036 -5.283 530 1HD1 LEU 45 3HD1 LEU 45 2.924 1.479 -4.647 531 2HD1 LEU 45 2HD1 LEU 45 3.181 -0.250 -4.419 532 3HD1 LEU 45 1HD1 LEU 45 4.125 0.911 -3.487 533 1HD2 LEU 45 2HD2 LEU 45 4.871 0.322 -7.616 534 2HD2 LEU 45 1HD2 LEU 45 3.613 -0.596 -6.782 535 3HD2 LEU 45 3HD2 LEU 45 3.372 1.113 -7.136 536 MD1 LEU 45 QD1 LEU 45 3.410 0.713 -4.184 537 MD2 LEU 45 QD2 LEU 45 3.952 0.280 -7.178 538 QB LEU 45 QB LEU 45 5.385 2.465 -6.130 539 QD LEU 45 QQD LEU 45 3.681 0.496 -5.681 540 H ILE 46 H ILE 46 5.633 4.885 -4.300 541 HA ILE 46 HA ILE 46 7.603 6.166 -5.896 542 HB ILE 46 HB ILE 46 5.617 7.238 -3.885 543 1HG1 ILE 46 2HG1 ILE 46 5.532 7.212 -6.906 544 2HG1 ILE 46 1HG1 ILE 46 4.641 6.119 -5.854 545 1HG2 ILE 46 2HG2 ILE 46 7.313 8.776 -5.843 546 2HG2 ILE 46 1HG2 ILE 46 5.984 9.449 -4.882 547 3HG2 ILE 46 3HG2 ILE 46 7.408 8.789 -4.074 548 1HD1 ILE 46 1HD1 ILE 46 3.408 8.022 -4.939 549 2HD1 ILE 46 3HD1 ILE 46 4.292 9.102 -6.016 550 3HD1 ILE 46 2HD1 ILE 46 3.210 7.879 -6.683 551 MG ILE 46 QG2 ILE 46 6.902 9.005 -4.933 552 MD ILE 46 QD1 ILE 46 3.637 8.334 -5.879 553 QG ILE 46 QG1 ILE 46 5.086 6.665 -6.380 554 H GLU 47 H GLU 47 7.085 5.774 -2.442 555 HA GLU 47 HA GLU 47 9.225 7.275 -1.458 556 1HB GLU 47 2HB GLU 47 8.116 4.694 -0.383 557 2HB GLU 47 1HB GLU 47 9.095 5.851 0.519 558 1HG GLU 47 2HG GLU 47 6.350 6.393 -0.596 559 2HG GLU 47 1HG GLU 47 6.683 5.910 1.059 560 QB GLU 47 QB GLU 47 8.606 5.273 0.068 561 QG GLU 47 QG GLU 47 6.517 6.152 0.231 562 H LEU 48 H LEU 48 9.052 3.821 -2.346 563 HA LEU 48 HA LEU 48 11.754 3.244 -1.916 564 1HB LEU 48 2HB LEU 48 9.588 1.891 -3.426 565 2HB LEU 48 1HB LEU 48 11.230 1.422 -3.807 566 HG LEU 48 HG LEU 48 10.247 -0.123 -2.217 567 1HD1 LEU 48 3HD1 LEU 48 12.630 0.290 -2.076 568 2HD1 LEU 48 2HD1 LEU 48 12.350 1.577 -0.904 569 3HD1 LEU 48 1HD1 LEU 48 11.951 -0.084 -0.494 570 1HD2 LEU 48 2HD2 LEU 48 8.624 1.359 -1.135 571 2HD2 LEU 48 1HD2 LEU 48 9.642 0.553 0.059 572 3HD2 LEU 48 3HD2 LEU 48 9.940 2.242 -0.360 573 MD1 LEU 48 QD1 LEU 48 12.310 0.594 -1.158 574 MD2 LEU 48 QD2 LEU 48 9.402 1.385 -0.479 575 QB LEU 48 QB LEU 48 10.409 1.657 -3.616 576 QD LEU 48 QQD LEU 48 10.856 0.989 -0.818 577 H LYS 49 H LYS 49 10.182 4.557 -4.757 578 HA LYS 49 HA LYS 49 12.434 4.441 -6.492 579 1HB LYS 49 2HB LYS 49 10.134 6.399 -6.452 580 2HB LYS 49 1HB LYS 49 11.331 6.294 -7.728 581 1HG LYS 49 2HG LYS 49 10.553 4.020 -8.253 582 2HG LYS 49 1HG LYS 49 9.373 4.142 -6.946 583 1HD LYS 49 2HD LYS 49 8.277 4.617 -9.058 584 2HD LYS 49 1HD LYS 49 8.347 6.086 -8.090 585 1HE LYS 49 2HE LYS 49 10.395 6.745 -9.398 586 2HE LYS 49 1HE LYS 49 10.114 5.340 -10.417 587 1HZ LYS 49 3HZ LYS 49 7.957 6.276 -11.010 588 2HZ LYS 49 2HZ LYS 49 8.275 7.620 -10.037 589 3HZ LYS 49 1HZ LYS 49 9.227 7.320 -11.395 590 QB LYS 49 QB LYS 49 10.733 6.346 -7.090 591 QD LYS 49 QD LYS 49 8.312 5.352 -8.574 592 QG LYS 49 QG LYS 49 9.963 4.081 -7.599 593 QE LYS 49 QE LYS 49 10.255 6.043 -9.907 594 QZ LYS 49 QZ LYS 49 8.486 7.072 -10.814 595 H THR 50 H THR 50 11.391 6.645 -4.051 596 HA THR 50 HA THR 50 13.246 8.719 -4.672 597 HB THR 50 HB THR 50 11.665 8.255 -2.124 598 HG1 THR 50 1HG THR 50 10.200 8.416 -3.757 599 1HG2 THR 50 1HG2 THR 50 12.858 10.783 -3.308 600 2HG2 THR 50 3HG2 THR 50 11.889 10.692 -1.838 601 3HG2 THR 50 2HG2 THR 50 13.476 9.926 -1.894 602 MG THR 50 QG2 THR 50 12.741 10.467 -2.347 603 H LYS 51 H LYS 51 13.091 6.121 -2.228 604 HA LYS 51 HA LYS 51 15.580 6.734 -1.084 605 1HB LYS 51 2HB LYS 51 13.823 4.315 -1.010 606 2HB LYS 51 1HB LYS 51 15.488 4.130 -0.504 607 1HG LYS 51 2HG LYS 51 14.133 4.496 1.445 608 2HG LYS 51 1HG LYS 51 15.133 5.918 1.180 609 1HD LYS 51 2HD LYS 51 13.205 7.052 0.154 610 2HD LYS 51 1HD LYS 51 12.214 5.628 0.468 611 1HE LYS 51 2HE LYS 51 13.556 7.369 2.547 612 2HE LYS 51 1HE LYS 51 11.841 7.328 2.169 613 1HZ LYS 51 1HZ LYS 51 11.849 4.961 2.878 614 2HZ LYS 51 3HZ LYS 51 13.433 5.151 3.440 615 3HZ LYS 51 2HZ LYS 51 12.174 6.036 4.100 616 QB LYS 51 QB LYS 51 14.656 4.222 -0.757 617 QD LYS 51 QD LYS 51 12.709 6.340 0.311 618 QG LYS 51 QG LYS 51 14.633 5.207 1.312 619 QE LYS 51 QE LYS 51 12.698 7.349 2.358 620 QZ LYS 51 QZ LYS 51 12.485 5.383 3.473 621 H LYS 52 H LYS 52 14.676 4.347 -3.558 622 HA LYS 52 HA LYS 52 15.870 3.124 -5.026 623 1HB LYS 52 2HB LYS 52 17.123 4.514 -6.664 624 2HB LYS 52 1HB LYS 52 15.517 5.116 -6.293 625 1HG LYS 52 2HG LYS 52 16.420 6.805 -4.880 626 2HG LYS 52 1HG LYS 52 18.053 6.155 -5.071 627 1HD LYS 52 2HD LYS 52 18.000 6.725 -7.436 628 2HD LYS 52 1HD LYS 52 16.302 7.188 -7.323 629 1HE LYS 52 2HE LYS 52 18.606 8.556 -5.929 630 2HE LYS 52 1HE LYS 52 17.773 9.155 -7.356 631 1HZ LYS 52 3HZ LYS 52 15.696 9.253 -5.991 632 2HZ LYS 52 2HZ LYS 52 16.617 8.799 -4.638 633 3HZ LYS 52 1HZ LYS 52 16.933 10.239 -5.411 634 QB LYS 52 QB LYS 52 16.320 4.815 -6.479 635 QD LYS 52 QD LYS 52 17.151 6.956 -7.379 636 QG LYS 52 QG LYS 52 17.236 6.480 -4.976 637 QE LYS 52 QE LYS 52 18.189 8.856 -6.642 638 QZ LYS 52 QZ LYS 52 16.415 9.430 -5.347 639 H LYS 53 H LYS 53 17.052 2.864 -2.634 640 HA LYS 53 HA LYS 53 19.806 2.936 -3.376 641 1HB LYS 53 2HB LYS 53 20.251 2.733 -0.751 642 2HB LYS 53 1HB LYS 53 19.908 4.226 -1.635 643 1HG LYS 53 2HG LYS 53 18.720 4.241 0.487 644 2HG LYS 53 1HG LYS 53 17.607 4.228 -0.865 645 1HD LYS 53 2HD LYS 53 16.731 2.816 0.809 646 2HD LYS 53 1HD LYS 53 17.311 1.762 -0.464 647 1HE LYS 53 2HE LYS 53 17.932 0.822 1.652 648 2HE LYS 53 1HE LYS 53 19.395 1.434 0.890 649 1HZ LYS 53 2HZ LYS 53 17.824 2.851 2.974 650 2HZ LYS 53 1HZ LYS 53 19.257 2.023 3.235 651 3HZ LYS 53 3HZ LYS 53 19.249 3.413 2.301 652 QB LYS 53 QB LYS 53 20.080 3.480 -1.193 653 QD LYS 53 QD LYS 53 17.021 2.289 0.173 654 QG LYS 53 QG LYS 53 18.164 4.234 -0.189 655 QE LYS 53 QE LYS 53 18.663 1.128 1.271 656 QZ LYS 53 QZ LYS 53 18.777 2.762 2.837 657 H ARG 54 H ARG 54 18.087 0.619 -1.239 658 HA ARG 54 HA ARG 54 19.156 -1.407 -2.994 659 1HB ARG 54 2HB ARG 54 19.645 -1.527 -0.010 660 2HB ARG 54 1HB ARG 54 19.961 -2.814 -1.159 661 1HG ARG 54 2HG ARG 54 21.613 -1.291 -2.279 662 2HG ARG 54 1HG ARG 54 21.375 -0.161 -0.949 663 1HD ARG 54 2HD ARG 54 22.433 -2.979 -0.775 664 2HD ARG 54 1HD ARG 54 23.340 -1.487 -0.546 665 HE ARG 54 HE ARG 54 21.130 -1.773 1.257 666 1HH1 ARG 54 1HH1 ARG 54 24.542 -2.591 0.737 667 2HH1 ARG 54 2HH1 ARG 54 24.858 -2.816 2.402 668 1HH2 ARG 54 1HH2 ARG 54 21.566 -2.146 3.511 669 2HH2 ARG 54 2HH2 ARG 54 23.140 -2.592 3.992 670 QB ARG 54 QB ARG 54 19.803 -2.170 -0.584 671 QG ARG 54 QG ARG 54 21.494 -0.726 -1.614 672 QD ARG 54 QD ARG 54 22.887 -2.233 -0.660 673 QH1 ARG 54 QH1 ARG 54 24.700 -2.703 1.569 674 QH2 ARG 54 QH2 ARG 54 22.353 -2.369 3.752 675 H TYR 55 H TYR 55 17.153 -1.857 -3.626 676 HA TYR 55 HA TYR 55 15.633 -3.395 -1.709 677 1HB TYR 55 2HB TYR 55 13.553 -2.582 -2.599 678 2HB TYR 55 1HB TYR 55 14.452 -1.237 -1.916 679 HD1 TYR 55 1HD TYR 55 12.524 -2.387 -4.632 680 HD2 TYR 55 2HD TYR 55 15.795 0.172 -3.753 681 HE1 TYR 55 1HE TYR 55 12.145 -1.193 -6.747 682 HE2 TYR 55 2HE TYR 55 15.419 1.376 -5.864 683 HH TYR 55 HH TYR 55 12.610 0.880 -7.771 684 QB TYR 55 QB TYR 55 14.003 -1.910 -2.258 685 QD TYR 55 QD TYR 55 14.160 -1.108 -4.193 686 QE TYR 55 QE TYR 55 13.782 0.092 -6.305 687 QR TYR 55 QR TYR 55 13.971 -0.508 -5.249 688 H SER 56 H SER 56 15.975 -2.574 -5.168 689 HA SER 56 HA SER 56 16.230 -5.364 -5.826 690 1HB SER 56 2HB SER 56 13.754 -4.950 -5.747 691 2HB SER 56 1HB SER 56 13.961 -3.686 -6.956 692 HG SER 56 HG SER 56 14.893 -5.340 -8.290 693 QB SER 56 QB SER 56 13.857 -4.318 -6.352 694 H LEU 57 H LEU 57 17.827 -2.845 -5.921 695 HA LEU 57 HA LEU 57 18.127 -2.573 -8.829 696 1HB LEU 57 2HB LEU 57 19.092 -0.771 -6.596 697 2HB LEU 57 1HB LEU 57 19.399 -0.501 -8.297 698 HG LEU 57 HG LEU 57 16.756 -0.345 -6.860 699 1HD1 LEU 57 1HD1 LEU 57 18.434 1.746 -8.228 700 2HD1 LEU 57 3HD1 LEU 57 16.840 2.008 -7.531 701 3HD1 LEU 57 2HD1 LEU 57 18.187 1.569 -6.490 702 1HD2 LEU 57 1HD2 LEU 57 17.341 0.023 -9.796 703 2HD2 LEU 57 3HD2 LEU 57 16.390 -1.280 -9.077 704 3HD2 LEU 57 2HD2 LEU 57 15.812 0.384 -8.996 705 MD1 LEU 57 QD1 LEU 57 17.820 1.774 -7.416 706 MD2 LEU 57 QD2 LEU 57 16.514 -0.291 -9.290 707 QB LEU 57 QB LEU 57 19.246 -0.636 -7.447 708 QD LEU 57 QQD LEU 57 17.167 0.742 -8.353 709 H LEU 58 H LEU 58 19.041 -4.629 -6.831 710 HA LEU 58 HA LEU 58 21.927 -4.353 -6.832 711 1HB LEU 58 2HB LEU 58 20.118 -6.539 -5.751 712 2HB LEU 58 1HB LEU 58 21.857 -6.545 -5.616 713 HG LEU 58 HG LEU 58 20.970 -5.949 -3.508 714 1HD1 LEU 58 3HD1 LEU 58 22.080 -3.523 -4.837 715 2HD1 LEU 58 2HD1 LEU 58 21.898 -3.727 -3.093 716 3HD1 LEU 58 1HD1 LEU 58 22.950 -4.806 -4.011 717 1HD2 LEU 58 3HD2 LEU 58 19.378 -3.755 -4.850 718 2HD2 LEU 58 2HD2 LEU 58 18.726 -5.216 -4.111 719 3HD2 LEU 58 1HD2 LEU 58 19.510 -3.996 -3.111 720 MD1 LEU 58 QD1 LEU 58 22.309 -4.019 -3.980 721 MD2 LEU 58 QD2 LEU 58 19.205 -4.323 -4.024 722 QB LEU 58 QB LEU 58 20.987 -6.542 -5.683 723 QD LEU 58 QQD LEU 58 20.757 -4.171 -4.002 724 H GLU 59 H GLU 59 19.416 -5.748 -8.622 725 HA GLU 59 HA GLU 59 21.314 -7.381 -10.173 726 1HB GLU 59 2HB GLU 59 18.327 -7.690 -9.892 727 2HB GLU 59 1HB GLU 59 19.395 -8.739 -10.813 728 1HG GLU 59 2HG GLU 59 20.444 -9.533 -8.859 729 2HG GLU 59 1HG GLU 59 19.663 -8.317 -7.853 730 QB GLU 59 QB GLU 59 18.861 -8.215 -10.353 731 QG GLU 59 QG GLU 59 20.054 -8.925 -8.356 732 H HIS 60 H HIS 60 21.890 -6.042 -11.797 733 HA HIS 60 HA HIS 60 19.759 -4.946 -13.486 734 1HB HIS 60 2HB HIS 60 22.252 -3.553 -12.534 735 2HB HIS 60 1HB HIS 60 21.440 -3.074 -14.005 736 HD1 HIS 60 1HD HIS 60 21.851 -1.386 -11.300 737 HD2 HIS 60 2HD HIS 60 18.369 -3.192 -12.650 738 HE1 HIS 60 1HE HIS 60 19.949 -0.031 -10.348 739 QB HIS 60 QB HIS 60 21.846 -3.313 -13.269 740 H HIS 61 H HIS 61 20.307 -4.812 -15.680 741 HA HIS 61 HA HIS 61 22.640 -6.385 -16.427 742 1HB HIS 61 2HB HIS 61 21.761 -6.313 -18.769 743 2HB HIS 61 1HB HIS 61 20.583 -6.984 -17.663 744 HD1 HIS 61 1HD HIS 61 21.110 -4.224 -20.084 745 HD2 HIS 61 2HD HIS 61 18.322 -5.341 -17.223 746 HE1 HIS 61 1HE HIS 61 19.041 -2.860 -20.554 747 QB HIS 61 QB HIS 61 21.172 -6.648 -18.216 748 H HIS 62 H HIS 62 21.575 -3.290 -15.965 749 HA HIS 62 HA HIS 62 23.549 -1.875 -17.482 750 1HB HIS 62 2HB HIS 62 21.467 -0.751 -16.849 751 2HB HIS 62 1HB HIS 62 21.735 -1.127 -15.158 752 HD1 HIS 62 1HD HIS 62 22.977 0.614 -13.794 753 HD2 HIS 62 2HD HIS 62 23.234 1.279 -17.893 754 HE1 HIS 62 1HE HIS 62 23.992 2.892 -14.062 755 QB HIS 62 QB HIS 62 21.601 -0.939 -16.003 756 H HIS 63 H HIS 63 25.571 -2.528 -16.977 757 HA HIS 63 HA HIS 63 26.235 -3.254 -14.301 758 1HB HIS 63 2HB HIS 63 28.040 -3.057 -16.726 759 2HB HIS 63 1HB HIS 63 28.506 -3.708 -15.163 760 HD1 HIS 63 1HD HIS 63 27.103 -5.956 -14.414 761 HD2 HIS 63 2HD HIS 63 26.920 -4.840 -18.416 762 HE1 HIS 63 1HE HIS 63 26.271 -7.965 -15.660 763 QB HIS 63 QB HIS 63 28.273 -3.383 -15.944 764 H HIS 64 H HIS 64 26.528 -1.858 -12.858 765 HA HIS 64 HA HIS 64 28.453 0.187 -12.953 766 1HB HIS 64 2HB HIS 64 26.590 1.336 -14.185 767 2HB HIS 64 1HB HIS 64 25.535 1.048 -12.815 768 HD1 HIS 64 1HD HIS 64 28.666 2.994 -13.681 769 HD2 HIS 64 2HD HIS 64 25.604 2.973 -10.888 770 HE1 HIS 64 1HE HIS 64 28.923 5.123 -12.350 771 QB HIS 64 QB HIS 64 26.062 1.192 -13.500 No H/Q in entry = 771 Start of MODEL 22 1 H1 MET 1 2HT MET 1 12.982 -3.703 0.273 2 H2 MET 1 1HT MET 1 12.285 -5.029 0.969 3 H3 MET 1 3HT MET 1 13.764 -4.463 1.558 4 HA MET 1 HA MET 1 14.801 -4.949 -0.560 5 1HB MET 1 2HB MET 1 13.339 -7.336 0.610 6 2HB MET 1 1HB MET 1 14.660 -7.452 -0.527 7 1HG MET 1 2HG MET 1 16.148 -6.375 1.106 8 2HG MET 1 1HG MET 1 14.809 -6.308 2.251 9 1HE MET 1 1HE MET 1 13.697 -8.438 3.377 10 2HE MET 1 3HE MET 1 13.337 -9.110 1.785 11 3HE MET 1 2HE MET 1 14.149 -10.098 2.998 12 QB MET 1 QB MET 1 14.000 -7.394 0.041 13 QG MET 1 QG MET 1 15.479 -6.341 1.678 14 ME MET 1 QE MET 1 13.728 -9.215 2.720 15 H ASN 2 H ASN 2 11.625 -6.665 -0.575 16 HA ASN 2 HA ASN 2 11.757 -6.376 -3.475 17 1HB ASN 2 2HB ASN 2 10.148 -8.307 -1.805 18 2HB ASN 2 1HB ASN 2 9.979 -8.142 -3.542 19 1HD2 ASN 2 1HD2 ASN 2 12.878 -7.781 -4.006 20 2HD2 ASN 2 2HD2 ASN 2 13.567 -9.321 -3.736 21 QB ASN 2 QB ASN 2 10.064 -8.225 -2.674 22 QD ASN 2 QD2 ASN 2 13.223 -8.551 -3.871 23 H VAL 3 H VAL 3 10.936 -4.458 -3.928 24 HA VAL 3 HA VAL 3 8.618 -3.435 -2.676 25 HB VAL 3 HB VAL 3 8.584 -1.698 -4.439 26 1HG1 VAL 3 3HG1 VAL 3 11.307 -2.216 -3.263 27 2HG1 VAL 3 2HG1 VAL 3 10.762 -0.671 -3.918 28 3HG1 VAL 3 1HG1 VAL 3 9.977 -1.348 -2.494 29 1HG2 VAL 3 2HG2 VAL 3 9.347 -3.043 -6.350 30 2HG2 VAL 3 1HG2 VAL 3 10.348 -1.603 -6.144 31 3HG2 VAL 3 3HG2 VAL 3 10.944 -3.173 -5.619 32 MG1 VAL 3 QG1 VAL 3 10.682 -1.412 -3.225 33 MG2 VAL 3 QG2 VAL 3 10.213 -2.607 -6.038 34 QG VAL 3 QQG VAL 3 10.447 -2.009 -4.631 35 H THR 4 H THR 4 9.147 -5.575 -5.284 36 HA THR 4 HA THR 4 6.641 -5.344 -6.527 37 HB THR 4 HB THR 4 8.545 -6.511 -7.622 38 HG1 THR 4 1HG THR 4 6.849 -8.636 -7.585 39 1HG2 THR 4 2HG2 THR 4 9.449 -7.694 -5.663 40 2HG2 THR 4 1HG2 THR 4 8.009 -8.703 -5.619 41 3HG2 THR 4 3HG2 THR 4 9.116 -8.817 -6.988 42 MG THR 4 QG2 THR 4 8.858 -8.405 -6.090 43 H LYS 5 H LYS 5 7.714 -7.061 -3.657 44 HA LYS 5 HA LYS 5 5.244 -8.497 -3.395 45 1HB LYS 5 2HB LYS 5 7.637 -8.214 -1.600 46 2HB LYS 5 1HB LYS 5 6.159 -8.985 -1.043 47 1HG LYS 5 2HG LYS 5 7.843 -9.873 -3.384 48 2HG LYS 5 1HG LYS 5 7.781 -10.640 -1.791 49 1HD LYS 5 2HD LYS 5 5.295 -10.927 -2.168 50 2HD LYS 5 1HD LYS 5 5.575 -10.449 -3.833 51 1HE LYS 5 2HE LYS 5 6.824 -12.809 -2.442 52 2HE LYS 5 1HE LYS 5 5.491 -12.874 -3.586 53 1HZ LYS 5 2HZ LYS 5 7.002 -12.003 -5.302 54 2HZ LYS 5 1HZ LYS 5 8.268 -11.985 -4.200 55 3HZ LYS 5 3HZ LYS 5 7.560 -13.438 -4.633 56 QB LYS 5 QB LYS 5 6.898 -8.599 -1.322 57 QD LYS 5 QD LYS 5 5.435 -10.688 -3.000 58 QG LYS 5 QG LYS 5 7.812 -10.257 -2.588 59 QE LYS 5 QE LYS 5 6.157 -12.841 -3.014 60 QZ LYS 5 QZ LYS 5 7.610 -12.475 -4.712 61 H LEU 6 H LEU 6 6.594 -5.542 -2.279 62 HA LEU 6 HA LEU 6 4.616 -4.926 -0.343 63 1HB LEU 6 2HB LEU 6 6.841 -3.778 -0.590 64 2HB LEU 6 1HB LEU 6 6.242 -3.082 -2.081 65 HG LEU 6 HG LEU 6 4.580 -1.784 -0.857 66 1HD1 LEU 6 2HD1 LEU 6 5.809 -3.006 1.615 67 2HD1 LEU 6 1HD1 LEU 6 4.625 -1.701 1.589 68 3HD1 LEU 6 3HD1 LEU 6 4.175 -3.304 1.011 69 1HD2 LEU 6 3HD2 LEU 6 7.373 -1.520 0.246 70 2HD2 LEU 6 2HD2 LEU 6 6.781 -0.820 -1.258 71 3HD2 LEU 6 1HD2 LEU 6 6.125 -0.277 0.286 72 MD1 LEU 6 QD1 LEU 6 4.870 -2.670 1.405 73 MD2 LEU 6 QD2 LEU 6 6.759 -0.873 -0.242 74 QB LEU 6 QB LEU 6 6.542 -3.430 -1.335 75 QD LEU 6 QQD LEU 6 5.815 -1.771 0.582 76 H ASN 7 H ASN 7 5.050 -4.205 -3.769 77 HA ASN 7 HA ASN 7 2.701 -2.818 -4.303 78 1HB ASN 7 2HB ASN 7 4.630 -3.109 -5.903 79 2HB ASN 7 1HB ASN 7 4.125 -4.762 -6.122 80 1HD2 ASN 7 1HD2 ASN 7 2.354 -5.251 -7.382 81 2HD2 ASN 7 2HD2 ASN 7 1.591 -4.076 -8.381 82 QB ASN 7 QB ASN 7 4.378 -3.935 -6.013 83 QD ASN 7 QD2 ASN 7 1.972 -4.663 -7.881 84 H ASP 8 H ASP 8 3.465 -6.212 -4.288 85 HA ASP 8 HA ASP 8 1.106 -7.354 -5.251 86 1HB ASP 8 2HB ASP 8 3.306 -8.501 -4.886 87 2HB ASP 8 1HB ASP 8 2.977 -8.470 -3.165 88 QB ASP 8 QB ASP 8 3.142 -8.485 -4.025 89 H ARG 9 H ARG 9 1.982 -6.246 -2.057 90 HA ARG 9 HA ARG 9 -0.279 -7.257 -0.661 91 1HB ARG 9 2HB ARG 9 1.573 -4.959 -0.068 92 2HB ARG 9 1HB ARG 9 0.320 -5.480 1.035 93 1HG ARG 9 2HG ARG 9 1.391 -7.688 1.171 94 2HG ARG 9 1HG ARG 9 2.655 -7.113 0.080 95 1HD ARG 9 2HD ARG 9 3.351 -7.039 2.407 96 2HD ARG 9 1HD ARG 9 3.298 -5.423 1.700 97 HE ARG 9 HE ARG 9 0.864 -5.742 2.872 98 1HH1 ARG 9 1HH1 ARG 9 4.188 -6.093 4.071 99 2HH1 ARG 9 2HH1 ARG 9 3.845 -5.503 5.628 100 1HH2 ARG 9 1HH2 ARG 9 0.395 -4.882 5.062 101 2HH2 ARG 9 2HH2 ARG 9 1.636 -4.766 6.194 102 QB ARG 9 QB ARG 9 0.947 -5.219 0.484 103 QG ARG 9 QG ARG 9 2.023 -7.400 0.626 104 QD ARG 9 QD ARG 9 3.325 -6.231 2.053 105 QH1 ARG 9 QH1 ARG 9 4.017 -5.798 4.849 106 QH2 ARG 9 QH2 ARG 9 1.015 -4.824 5.628 107 H ILE 10 H ILE 10 0.444 -4.256 -2.315 108 HA ILE 10 HA ILE 10 -1.884 -2.819 -1.654 109 HB ILE 10 HB ILE 10 -0.315 -2.646 -4.248 110 1HG1 ILE 10 2HG1 ILE 10 0.127 -1.163 -1.664 111 2HG1 ILE 10 1HG1 ILE 10 1.156 -2.459 -2.263 112 1HG2 ILE 10 1HG2 ILE 10 -2.502 -1.468 -4.185 113 2HG2 ILE 10 3HG2 ILE 10 -1.927 -0.540 -2.796 114 3HG2 ILE 10 2HG2 ILE 10 -1.130 -0.373 -4.362 115 1HD1 ILE 10 3HD1 ILE 10 0.676 0.182 -3.593 116 2HD1 ILE 10 2HD1 ILE 10 2.123 -0.275 -2.690 117 3HD1 ILE 10 1HD1 ILE 10 1.729 -1.090 -4.207 118 MG ILE 10 QG2 ILE 10 -1.853 -0.794 -3.781 119 MD ILE 10 QD1 ILE 10 1.509 -0.395 -3.497 120 QG ILE 10 QG1 ILE 10 0.641 -1.811 -1.964 121 H GLU 11 H GLU 11 -1.043 -4.979 -4.277 122 HA GLU 11 HA GLU 11 -3.299 -4.858 -5.875 123 1HB GLU 11 2HB GLU 11 -1.595 -7.261 -5.255 124 2HB GLU 11 1HB GLU 11 -2.691 -7.118 -6.620 125 1HG GLU 11 2HG GLU 11 -0.306 -5.349 -6.141 126 2HG GLU 11 1HG GLU 11 -0.321 -6.748 -7.206 127 QB GLU 11 QB GLU 11 -2.143 -7.189 -5.938 128 QG GLU 11 QG GLU 11 -0.314 -6.049 -6.673 129 H ALA 12 H ALA 12 -2.654 -6.969 -3.115 130 HA ALA 12 HA ALA 12 -5.148 -8.341 -3.229 131 1HB ALA 12 3HB ALA 12 -3.172 -9.334 -2.181 132 2HB ALA 12 1HB ALA 12 -4.519 -9.258 -1.049 133 3HB ALA 12 2HB ALA 12 -3.199 -8.089 -0.938 134 MB ALA 12 QB ALA 12 -3.630 -8.894 -1.390 135 H LYS 13 H LYS 13 -4.070 -5.403 -1.812 136 HA LYS 13 HA LYS 13 -6.235 -5.209 0.060 137 1HB LYS 13 2HB LYS 13 -3.963 -4.188 0.447 138 2HB LYS 13 1HB LYS 13 -4.317 -3.039 -0.829 139 1HG LYS 13 2HG LYS 13 -4.629 -2.140 1.468 140 2HG LYS 13 1HG LYS 13 -6.078 -2.044 0.464 141 1HD LYS 13 2HD LYS 13 -7.084 -3.884 1.580 142 2HD LYS 13 1HD LYS 13 -5.569 -4.329 2.361 143 1HE LYS 13 2HE LYS 13 -7.007 -1.725 2.868 144 2HE LYS 13 1HE LYS 13 -7.269 -3.187 3.821 145 1HZ LYS 13 2HZ LYS 13 -4.562 -1.998 3.493 146 2HZ LYS 13 1HZ LYS 13 -5.612 -1.588 4.772 147 3HZ LYS 13 3HZ LYS 13 -5.096 -3.170 4.572 148 QB LYS 13 QB LYS 13 -4.140 -3.613 -0.191 149 QD LYS 13 QD LYS 13 -6.327 -4.107 1.971 150 QG LYS 13 QG LYS 13 -5.353 -2.092 0.966 151 QE LYS 13 QE LYS 13 -7.138 -2.456 3.345 152 QZ LYS 13 QZ LYS 13 -5.090 -2.252 4.279 153 H LYS 14 H LYS 14 -5.456 -4.045 -3.126 154 HA LYS 14 HA LYS 14 -7.629 -2.372 -3.633 155 1HB LYS 14 2HB LYS 14 -6.239 -4.315 -5.479 156 2HB LYS 14 1HB LYS 14 -7.378 -3.093 -6.010 157 1HG LYS 14 2HG LYS 14 -5.883 -1.342 -5.316 158 2HG LYS 14 1HG LYS 14 -4.789 -2.536 -4.601 159 1HD LYS 14 2HD LYS 14 -4.379 -3.511 -6.718 160 2HD LYS 14 1HD LYS 14 -5.530 -2.433 -7.510 161 1HE LYS 14 2HE LYS 14 -4.116 -0.508 -6.886 162 2HE LYS 14 1HE LYS 14 -2.984 -1.614 -6.111 163 1HZ LYS 14 1HZ LYS 14 -3.675 -1.671 -8.988 164 2HZ LYS 14 3HZ LYS 14 -2.295 -0.949 -8.335 165 3HZ LYS 14 2HZ LYS 14 -2.495 -2.617 -8.192 166 QB LYS 14 QB LYS 14 -6.809 -3.704 -5.744 167 QD LYS 14 QD LYS 14 -4.954 -2.972 -7.114 168 QG LYS 14 QG LYS 14 -5.336 -1.939 -4.959 169 QE LYS 14 QE LYS 14 -3.550 -1.061 -6.498 170 QZ LYS 14 QZ LYS 14 -2.822 -1.746 -8.505 171 H LYS 15 H LYS 15 -7.287 -5.863 -4.067 172 HA LYS 15 HA LYS 15 -9.844 -6.429 -5.052 173 1HB LYS 15 2HB LYS 15 -8.168 -8.213 -3.280 174 2HB LYS 15 1HB LYS 15 -9.473 -8.729 -4.331 175 1HG LYS 15 2HG LYS 15 -8.154 -8.028 -6.285 176 2HG LYS 15 1HG LYS 15 -6.851 -7.535 -5.209 177 1HD LYS 15 2HD LYS 15 -6.332 -9.710 -6.094 178 2HD LYS 15 1HD LYS 15 -6.716 -9.883 -4.386 179 1HE LYS 15 2HE LYS 15 -7.755 -11.674 -5.634 180 2HE LYS 15 1HE LYS 15 -9.010 -10.600 -5.021 181 1HZ LYS 15 2HZ LYS 15 -7.941 -10.500 -7.789 182 2HZ LYS 15 1HZ LYS 15 -9.366 -11.269 -7.348 183 3HZ LYS 15 3HZ LYS 15 -9.227 -9.608 -7.179 184 QB LYS 15 QB LYS 15 -8.820 -8.471 -3.806 185 QD LYS 15 QD LYS 15 -6.524 -9.796 -5.240 186 QG LYS 15 QG LYS 15 -7.502 -7.781 -5.747 187 QE LYS 15 QE LYS 15 -8.383 -11.137 -5.327 188 QZ LYS 15 QZ LYS 15 -8.845 -10.459 -7.438 189 H GLU 16 H GLU 16 -8.640 -6.219 -1.764 190 HA GLU 16 HA GLU 16 -10.982 -7.075 -0.446 191 1HB GLU 16 2HB GLU 16 -8.714 -6.978 0.593 192 2HB GLU 16 1HB GLU 16 -8.806 -5.226 0.559 193 1HG GLU 16 2HG GLU 16 -10.654 -5.248 2.105 194 2HG GLU 16 1HG GLU 16 -10.707 -7.010 2.045 195 QB GLU 16 QB GLU 16 -8.760 -6.102 0.576 196 QG GLU 16 QG GLU 16 -10.681 -6.129 2.075 197 H LEU 17 H LEU 17 -9.735 -3.942 -1.415 198 HA LEU 17 HA LEU 17 -11.761 -2.373 -0.287 199 1HB LEU 17 2HB LEU 17 -9.593 -1.460 -0.979 200 2HB LEU 17 1HB LEU 17 -9.972 -1.804 -2.649 201 HG LEU 17 HG LEU 17 -11.782 -0.132 -2.590 202 1HD1 LEU 17 1HD1 LEU 17 -10.816 0.392 0.211 203 2HD1 LEU 17 3HD1 LEU 17 -11.964 1.390 -0.678 204 3HD1 LEU 17 2HD1 LEU 17 -12.387 -0.268 -0.241 205 1HD2 LEU 17 1HD2 LEU 17 -9.119 0.898 -1.628 206 2HD2 LEU 17 3HD2 LEU 17 -9.552 0.546 -3.303 207 3HD2 LEU 17 2HD2 LEU 17 -10.363 1.852 -2.433 208 MD1 LEU 17 QD1 LEU 17 -11.722 0.505 -0.236 209 MD2 LEU 17 QD2 LEU 17 -9.678 1.099 -2.455 210 QB LEU 17 QB LEU 17 -9.783 -1.632 -1.814 211 QD LEU 17 QQD LEU 17 -10.700 0.802 -1.345 212 H ILE 18 H ILE 18 -11.437 -3.859 -3.508 213 HA ILE 18 HA ILE 18 -13.635 -2.751 -4.858 214 HB ILE 18 HB ILE 18 -13.031 -5.716 -4.981 215 1HG1 ILE 18 2HG1 ILE 18 -10.875 -4.584 -5.264 216 2HG1 ILE 18 1HG1 ILE 18 -11.387 -5.306 -6.782 217 1HG2 ILE 18 1HG2 ILE 18 -14.114 -3.828 -7.060 218 2HG2 ILE 18 3HG2 ILE 18 -13.754 -5.533 -7.327 219 3HG2 ILE 18 2HG2 ILE 18 -15.006 -5.069 -6.178 220 1HD1 ILE 18 1HD1 ILE 18 -12.076 -3.099 -7.553 221 2HD1 ILE 18 3HD1 ILE 18 -11.511 -2.414 -6.018 222 3HD1 ILE 18 2HD1 ILE 18 -10.367 -3.200 -7.114 223 MG ILE 18 QG2 ILE 18 -14.292 -4.810 -6.855 224 MD ILE 18 QD1 ILE 18 -11.318 -2.904 -6.895 225 QG ILE 18 QG1 ILE 18 -11.131 -4.945 -6.023 226 H TYR 19 H TYR 19 -13.435 -5.605 -2.904 227 HA TYR 19 HA TYR 19 -16.028 -6.577 -2.895 228 1HB TYR 19 2HB TYR 19 -13.906 -7.649 -2.135 229 2HB TYR 19 1HB TYR 19 -13.956 -6.654 -0.700 230 HD1 TYR 19 1HD TYR 19 -15.369 -7.263 1.160 231 HD2 TYR 19 2HD TYR 19 -15.513 -9.439 -2.489 232 HE1 TYR 19 1HE TYR 19 -16.585 -9.073 2.292 233 HE2 TYR 19 2HE TYR 19 -16.733 -11.244 -1.374 234 HH TYR 19 HH TYR 19 -18.168 -10.940 1.615 235 QB TYR 19 QB TYR 19 -13.931 -7.151 -1.418 236 QD TYR 19 QD TYR 19 -15.441 -8.351 -0.664 237 QE TYR 19 QE TYR 19 -16.659 -10.159 0.459 238 QR TYR 19 QR TYR 19 -16.050 -9.255 -0.103 239 H LEU 20 H LEU 20 -14.442 -4.277 -0.755 240 HA LEU 20 HA LEU 20 -16.677 -3.953 0.983 241 1HB LEU 20 2HB LEU 20 -14.141 -2.360 0.728 242 2HB LEU 20 1HB LEU 20 -15.308 -2.195 2.029 243 HG LEU 20 HG LEU 20 -13.799 -4.738 1.422 244 1HD1 LEU 20 2HD1 LEU 20 -12.298 -2.969 2.160 245 2HD1 LEU 20 1HD1 LEU 20 -13.311 -2.703 3.577 246 3HD1 LEU 20 3HD1 LEU 20 -12.460 -4.235 3.375 247 1HD2 LEU 20 1HD2 LEU 20 -15.943 -5.110 2.534 248 2HD2 LEU 20 3HD2 LEU 20 -14.596 -5.441 3.621 249 3HD2 LEU 20 2HD2 LEU 20 -15.504 -3.939 3.778 250 MD1 LEU 20 QD1 LEU 20 -12.689 -3.302 3.037 251 MD2 LEU 20 QD2 LEU 20 -15.348 -4.830 3.311 252 QB LEU 20 QB LEU 20 -14.725 -2.278 1.378 253 QD LEU 20 QQD LEU 20 -14.019 -4.066 3.174 254 H VAL 21 H VAL 21 -15.424 -2.103 -1.755 255 HA VAL 21 HA VAL 21 -17.105 0.145 -1.404 256 HB VAL 21 HB VAL 21 -15.896 -0.923 -3.989 257 1HG1 VAL 21 1HG1 VAL 21 -17.091 1.795 -3.416 258 2HG1 VAL 21 3HG1 VAL 21 -16.261 1.334 -4.901 259 3HG1 VAL 21 2HG1 VAL 21 -17.784 0.558 -4.466 260 1HG2 VAL 21 1HG2 VAL 21 -14.218 -0.311 -2.336 261 2HG2 VAL 21 3HG2 VAL 21 -14.213 0.829 -3.681 262 3HG2 VAL 21 2HG2 VAL 21 -14.965 1.277 -2.149 263 MG1 VAL 21 QG1 VAL 21 -17.046 1.229 -4.261 264 MG2 VAL 21 QG2 VAL 21 -14.466 0.598 -2.722 265 QG VAL 21 QQG VAL 21 -15.756 0.914 -3.492 266 H GLU 22 H GLU 22 -17.536 -2.872 -3.156 267 HA GLU 22 HA GLU 22 -20.017 -2.240 -4.327 268 1HB GLU 22 2HB GLU 22 -18.972 -4.942 -3.487 269 2HB GLU 22 1HB GLU 22 -20.315 -4.656 -4.581 270 1HG GLU 22 2HG GLU 22 -17.429 -3.952 -5.054 271 2HG GLU 22 1HG GLU 22 -18.345 -5.247 -5.817 272 QB GLU 22 QB GLU 22 -19.644 -4.799 -4.034 273 QG GLU 22 QG GLU 22 -17.887 -4.599 -5.435 274 H LYS 23 H LYS 23 -19.133 -3.409 -1.197 275 HA LYS 23 HA LYS 23 -21.823 -4.070 -0.407 276 1HB LYS 23 2HB LYS 23 -19.217 -4.046 1.039 277 2HB LYS 23 1HB LYS 23 -20.737 -4.270 1.886 278 1HG LYS 23 2HG LYS 23 -21.194 -6.233 0.527 279 2HG LYS 23 1HG LYS 23 -19.660 -6.003 -0.317 280 1HD LYS 23 2HD LYS 23 -18.412 -6.422 1.640 281 2HD LYS 23 1HD LYS 23 -19.841 -6.289 2.668 282 1HE LYS 23 2HE LYS 23 -19.380 -8.419 0.594 283 2HE LYS 23 1HE LYS 23 -19.118 -8.614 2.326 284 1HZ LYS 23 3HZ LYS 23 -21.727 -7.956 1.062 285 2HZ LYS 23 2HZ LYS 23 -21.276 -9.468 1.661 286 3HZ LYS 23 1HZ LYS 23 -21.442 -8.166 2.707 287 QB LYS 23 QB LYS 23 -19.977 -4.158 1.462 288 QD LYS 23 QD LYS 23 -19.127 -6.355 2.154 289 QG LYS 23 QG LYS 23 -20.427 -6.118 0.105 290 QE LYS 23 QE LYS 23 -19.249 -8.517 1.460 291 QZ LYS 23 QZ LYS 23 -21.481 -8.530 1.810 292 H TYR 24 H TYR 24 -19.569 -1.433 0.335 293 HA TYR 24 HA TYR 24 -21.682 -0.350 2.049 294 1HB TYR 24 2HB TYR 24 -18.719 0.119 2.184 295 2HB TYR 24 1HB TYR 24 -19.915 0.856 3.249 296 HD1 TYR 24 1HD TYR 24 -17.880 -2.030 2.596 297 HD2 TYR 24 2HD TYR 24 -21.283 -0.665 4.739 298 HE1 TYR 24 1HE TYR 24 -17.743 -4.003 4.050 299 HE2 TYR 24 2HE TYR 24 -21.152 -2.632 6.205 300 HH TYR 24 HH TYR 24 -18.441 -4.788 6.156 301 QB TYR 24 QB TYR 24 -19.317 0.487 2.716 302 QD TYR 24 QD TYR 24 -19.582 -1.347 3.667 303 QE TYR 24 QE TYR 24 -19.448 -3.317 5.127 304 QR TYR 24 QR TYR 24 -19.515 -2.332 4.397 305 H GLY 25 H GLY 25 -19.910 0.410 -0.814 306 1HA GLY 25 1HA GLY 25 -21.378 2.919 -0.945 307 2HA GLY 25 2HA GLY 25 -20.490 2.143 -2.253 308 QA GLY 25 QA GLY 25 -20.934 2.531 -1.599 309 H PHE 26 H PHE 26 -19.950 4.569 -2.346 310 HA PHE 26 HA PHE 26 -17.215 4.755 -1.436 311 1HB PHE 26 2HB PHE 26 -17.014 6.623 -2.977 312 2HB PHE 26 1HB PHE 26 -17.874 5.318 -3.774 313 HD1 PHE 26 1HD PHE 26 -17.921 8.768 -2.851 314 HD2 PHE 26 2HD PHE 26 -20.440 5.504 -3.928 315 HE1 PHE 26 1HE PHE 26 -19.717 10.338 -3.406 316 HE2 PHE 26 2HE PHE 26 -22.238 7.078 -4.487 317 HZ PHE 26 HZ PHE 26 -21.881 9.499 -4.229 318 QB PHE 26 QB PHE 26 -17.444 5.970 -3.375 319 QD PHE 26 QD PHE 26 -19.180 7.136 -3.390 320 QE PHE 26 QE PHE 26 -20.978 8.708 -3.946 321 QR PHE 26 QR PHE 26 -20.439 8.237 -3.780 322 H THR 27 H THR 27 -20.258 5.999 -0.451 323 HA THR 27 HA THR 27 -19.209 8.373 0.777 324 HB THR 27 HB THR 27 -21.978 7.183 1.083 325 HG1 THR 27 1HG THR 27 -22.466 8.195 -0.884 326 1HG2 THR 27 2HG2 THR 27 -20.959 10.045 1.100 327 2HG2 THR 27 1HG2 THR 27 -22.646 9.557 1.285 328 3HG2 THR 27 3HG2 THR 27 -21.462 9.132 2.520 329 MG THR 27 QG2 THR 27 -21.689 9.578 1.635 330 H HIS 28 H HIS 28 -19.192 5.178 1.636 331 HA HIS 28 HA HIS 28 -19.812 5.412 4.435 332 1HB HIS 28 2HB HIS 28 -20.167 3.349 3.052 333 2HB HIS 28 1HB HIS 28 -18.425 3.178 2.936 334 HD1 HIS 28 1HD HIS 28 -21.235 2.950 5.471 335 HD2 HIS 28 2HD HIS 28 -17.246 1.894 5.041 336 HE1 HIS 28 1HE HIS 28 -20.728 1.377 7.365 337 QB HIS 28 QB HIS 28 -19.296 3.263 2.994 338 H HIS 29 H HIS 29 -18.426 5.995 6.002 339 HA HIS 29 HA HIS 29 -16.038 7.315 5.394 340 1HB HIS 29 2HB HIS 29 -16.977 6.330 8.099 341 2HB HIS 29 1HB HIS 29 -15.614 7.403 7.839 342 HD1 HIS 29 1HD HIS 29 -19.129 7.501 8.614 343 HD2 HIS 29 2HD HIS 29 -16.472 9.874 6.483 344 HE1 HIS 29 1HE HIS 29 -20.207 9.764 8.441 345 QB HIS 29 QB HIS 29 -16.296 6.867 7.969 346 H LYS 30 H LYS 30 -16.490 4.104 6.747 347 HA LYS 30 HA LYS 30 -13.798 3.561 7.202 348 1HB LYS 30 2HB LYS 30 -15.957 1.580 6.486 349 2HB LYS 30 1HB LYS 30 -14.374 1.169 7.121 350 1HG LYS 30 2HG LYS 30 -14.844 2.384 9.166 351 2HG LYS 30 1HG LYS 30 -16.414 2.856 8.521 352 1HD LYS 30 2HD LYS 30 -16.746 1.039 9.999 353 2HD LYS 30 1HD LYS 30 -16.998 0.481 8.342 354 1HE LYS 30 2HE LYS 30 -15.752 -1.184 9.615 355 2HE LYS 30 1HE LYS 30 -14.743 -0.508 8.344 356 1HZ LYS 30 1HZ LYS 30 -14.635 0.262 11.228 357 2HZ LYS 30 3HZ LYS 30 -13.522 -0.699 10.413 358 3HZ LYS 30 2HZ LYS 30 -13.680 0.907 9.997 359 QB LYS 30 QB LYS 30 -15.165 1.375 6.803 360 QD LYS 30 QD LYS 30 -16.872 0.760 9.170 361 QG LYS 30 QG LYS 30 -15.629 2.620 8.844 362 QE LYS 30 QE LYS 30 -15.248 -0.846 8.980 363 QZ LYS 30 QZ LYS 30 -13.946 0.156 10.546 364 H VAL 31 H VAL 31 -15.718 3.213 4.280 365 HA VAL 31 HA VAL 31 -13.770 1.833 2.749 366 HB VAL 31 HB VAL 31 -16.099 3.558 1.823 367 1HG1 VAL 31 1HG1 VAL 31 -14.401 3.392 0.056 368 2HG1 VAL 31 3HG1 VAL 31 -14.405 1.636 0.215 369 3HG1 VAL 31 2HG1 VAL 31 -15.847 2.471 -0.364 370 1HG2 VAL 31 2HG2 VAL 31 -15.791 0.568 2.037 371 2HG2 VAL 31 1HG2 VAL 31 -16.778 1.590 3.077 372 3HG2 VAL 31 3HG2 VAL 31 -17.188 1.418 1.373 373 MG1 VAL 31 QG1 VAL 31 -14.884 2.499 -0.031 374 MG2 VAL 31 QG2 VAL 31 -16.586 1.192 2.162 375 QG VAL 31 QQG VAL 31 -15.735 1.846 1.066 376 H ILE 32 H ILE 32 -14.501 5.217 3.230 377 HA ILE 32 HA ILE 32 -12.643 6.312 1.437 378 HB ILE 32 HB ILE 32 -13.567 7.434 4.110 379 1HG1 ILE 32 2HG1 ILE 32 -14.642 7.924 1.313 380 2HG1 ILE 32 1HG1 ILE 32 -15.420 6.939 2.542 381 1HG2 ILE 32 3HG2 ILE 32 -12.292 8.829 1.752 382 2HG2 ILE 32 2HG2 ILE 32 -12.928 9.636 3.187 383 3HG2 ILE 32 1HG2 ILE 32 -11.542 8.557 3.323 384 1HD1 ILE 32 2HD1 ILE 32 -15.682 8.935 3.948 385 2HD1 ILE 32 1HD1 ILE 32 -14.923 9.906 2.690 386 3HD1 ILE 32 3HD1 ILE 32 -16.470 9.114 2.380 387 MG ILE 32 QG2 ILE 32 -12.254 9.007 2.754 388 MD ILE 32 QD1 ILE 32 -15.692 9.318 3.006 389 QG ILE 32 QG1 ILE 32 -15.031 7.432 1.927 390 H SER 33 H SER 33 -12.346 5.357 4.840 391 HA SER 33 HA SER 33 -9.673 6.120 5.171 392 1HB SER 33 2HB SER 33 -11.233 5.632 7.042 393 2HB SER 33 1HB SER 33 -11.165 3.919 6.629 394 HG SER 33 HG SER 33 -9.027 5.579 7.438 395 QB SER 33 QB SER 33 -11.199 4.775 6.836 396 H PHE 34 H PHE 34 -11.105 3.082 4.016 397 HA PHE 34 HA PHE 34 -8.681 1.601 3.890 398 1HB PHE 34 2HB PHE 34 -11.118 1.251 2.131 399 2HB PHE 34 1HB PHE 34 -9.855 0.058 2.410 400 HD1 PHE 34 1HD PHE 34 -9.662 0.476 5.426 401 HD2 PHE 34 2HD PHE 34 -12.953 0.001 2.793 402 HE1 PHE 34 1HE PHE 34 -10.976 -0.450 7.257 403 HE2 PHE 34 2HE PHE 34 -14.299 -0.929 4.637 404 HZ PHE 34 HZ PHE 34 -13.305 -1.160 6.878 405 QB PHE 34 QB PHE 34 -10.486 0.655 2.270 406 QD PHE 34 QD PHE 34 -11.308 0.239 4.109 407 QE PHE 34 QE PHE 34 -12.637 -0.689 5.947 408 QR PHE 34 QR PHE 34 -12.239 -0.412 5.398 409 H SER 35 H SER 35 -10.308 3.743 1.678 410 HA SER 35 HA SER 35 -8.635 3.287 -0.543 411 1HB SER 35 2HB SER 35 -10.253 5.752 0.156 412 2HB SER 35 1HB SER 35 -9.621 5.351 -1.443 413 HG SER 35 HG SER 35 -11.570 3.901 0.052 414 QB SER 35 QB SER 35 -9.937 5.551 -0.644 415 H GLN 36 H GLN 36 -8.433 5.400 2.241 416 HA GLN 36 HA GLN 36 -6.201 6.929 1.379 417 1HB GLN 36 2HB GLN 36 -6.994 6.226 4.216 418 2HB GLN 36 1HB GLN 36 -5.887 7.503 3.750 419 1HG GLN 36 2HG GLN 36 -8.841 7.381 3.177 420 2HG GLN 36 1HG GLN 36 -8.038 8.407 4.357 421 1HE2 GLN 36 1HE2 GLN 36 -8.776 7.918 1.042 422 2HE2 GLN 36 2HE2 GLN 36 -8.189 9.417 0.453 423 QB GLN 36 QB GLN 36 -6.441 6.865 3.983 424 QG GLN 36 QG GLN 36 -8.439 7.894 3.767 425 QE GLN 36 QE2 GLN 36 -8.483 8.668 0.748 426 H GLU 37 H GLU 37 -6.580 3.893 3.111 427 HA GLU 37 HA GLU 37 -3.897 3.400 3.778 428 1HB GLU 37 2HB GLU 37 -6.045 1.412 3.038 429 2HB GLU 37 1HB GLU 37 -4.517 1.005 3.794 430 1HG GLU 37 2HG GLU 37 -5.161 2.375 5.730 431 2HG GLU 37 1HG GLU 37 -6.724 2.666 4.964 432 QB GLU 37 QB GLU 37 -5.281 1.209 3.416 433 QG GLU 37 QG GLU 37 -5.942 2.520 5.347 434 H LEU 38 H LEU 38 -5.782 2.535 0.951 435 HA LEU 38 HA LEU 38 -3.864 1.035 -0.405 436 1HB LEU 38 2HB LEU 38 -6.408 1.354 -0.829 437 2HB LEU 38 1HB LEU 38 -5.944 2.756 -1.755 438 HG LEU 38 HG LEU 38 -6.450 0.760 -3.146 439 1HD1 LEU 38 3HD1 LEU 38 -3.584 1.647 -3.339 440 2HD1 LEU 38 2HD1 LEU 38 -4.499 0.827 -4.602 441 3HD1 LEU 38 1HD1 LEU 38 -4.975 2.445 -4.075 442 1HD2 LEU 38 2HD2 LEU 38 -5.680 -0.943 -1.605 443 2HD2 LEU 38 1HD2 LEU 38 -4.902 -1.107 -3.182 444 3HD2 LEU 38 3HD2 LEU 38 -4.014 -0.417 -1.830 445 MD1 LEU 38 QD1 LEU 38 -4.352 1.639 -4.006 446 MD2 LEU 38 QD2 LEU 38 -4.865 -0.822 -2.206 447 QB LEU 38 QB LEU 38 -6.176 2.055 -1.292 448 QD LEU 38 QQD LEU 38 -4.609 0.409 -3.106 449 H ASP 39 H ASP 39 -4.642 4.486 -0.602 450 HA ASP 39 HA ASP 39 -2.739 5.217 -2.536 451 1HB ASP 39 2HB ASP 39 -4.527 6.734 -1.973 452 2HB ASP 39 1HB ASP 39 -3.974 6.836 -0.307 453 QB ASP 39 QB ASP 39 -4.250 6.785 -1.140 454 H ARG 40 H ARG 40 -2.525 5.139 0.970 455 HA ARG 40 HA ARG 40 0.057 6.274 1.079 456 1HB ARG 40 2HB ARG 40 -1.476 4.706 3.138 457 2HB ARG 40 1HB ARG 40 0.063 5.504 3.459 458 1HG ARG 40 2HG ARG 40 -0.894 7.653 2.899 459 2HG ARG 40 1HG ARG 40 -2.419 6.877 2.478 460 1HD ARG 40 2HD ARG 40 -2.676 6.150 4.785 461 2HD ARG 40 1HD ARG 40 -1.148 6.934 5.206 462 HE ARG 40 HE ARG 40 -2.635 8.858 3.997 463 1HH1 ARG 40 1HH1 ARG 40 -3.002 6.884 6.915 464 2HH1 ARG 40 2HH1 ARG 40 -3.999 8.024 7.709 465 1HH2 ARG 40 1HH2 ARG 40 -4.069 10.358 5.051 466 2HH2 ARG 40 2HH2 ARG 40 -4.644 10.026 6.615 467 QB ARG 40 QB ARG 40 -0.707 5.105 3.298 468 QG ARG 40 QG ARG 40 -1.657 7.265 2.688 469 QD ARG 40 QD ARG 40 -1.912 6.542 4.996 470 QH1 ARG 40 QH1 ARG 40 -3.501 7.454 7.312 471 QH2 ARG 40 QH2 ARG 40 -4.356 10.192 5.833 472 H LEU 41 H LEU 41 -1.031 2.924 1.023 473 HA LEU 41 HA LEU 41 1.556 1.833 1.336 474 1HB LEU 41 2HB LEU 41 -1.032 0.742 0.322 475 2HB LEU 41 1HB LEU 41 0.444 -0.121 -0.050 476 HG LEU 41 HG LEU 41 0.897 -0.404 2.350 477 1HD1 LEU 41 1HD1 LEU 41 -1.767 0.920 2.773 478 2HD1 LEU 41 3HD1 LEU 41 -0.825 0.079 4.003 479 3HD1 LEU 41 2HD1 LEU 41 -0.191 1.549 3.256 480 1HD2 LEU 41 2HD2 LEU 41 -0.307 -2.127 1.129 481 2HD2 LEU 41 1HD2 LEU 41 -0.866 -2.028 2.798 482 3HD2 LEU 41 3HD2 LEU 41 -1.837 -1.335 1.499 483 MD1 LEU 41 QD1 LEU 41 -0.928 0.849 3.344 484 MD2 LEU 41 QD2 LEU 41 -1.003 -1.830 1.809 485 QB LEU 41 QB LEU 41 -0.294 0.310 0.136 486 QD LEU 41 QQD LEU 41 -0.965 -0.490 2.576 487 H LEU 42 H LEU 42 -0.250 2.902 -1.476 488 HA LEU 42 HA LEU 42 1.600 1.989 -3.403 489 1HB LEU 42 2HB LEU 42 -0.718 2.697 -3.932 490 2HB LEU 42 1HB LEU 42 -0.282 4.348 -3.556 491 HG LEU 42 HG LEU 42 1.300 4.350 -5.451 492 1HD1 LEU 42 3HD1 LEU 42 0.183 1.604 -5.978 493 2HD1 LEU 42 2HD1 LEU 42 1.195 2.520 -7.093 494 3HD1 LEU 42 1HD1 LEU 42 1.844 1.997 -5.539 495 1HD2 LEU 42 2HD2 LEU 42 -0.977 5.167 -5.758 496 2HD2 LEU 42 1HD2 LEU 42 -0.390 4.379 -7.221 497 3HD2 LEU 42 3HD2 LEU 42 -1.515 3.534 -6.157 498 MD1 LEU 42 QD1 LEU 42 1.074 2.040 -6.203 499 MD2 LEU 42 QD2 LEU 42 -0.961 4.360 -6.379 500 QB LEU 42 QB LEU 42 -0.500 3.522 -3.744 501 QD LEU 42 QQD LEU 42 0.057 3.200 -6.291 502 H ASN 43 H ASN 43 1.374 4.883 -1.493 503 HA ASN 43 HA ASN 43 3.470 6.280 -2.776 504 1HB ASN 43 2HB ASN 43 2.039 6.697 -0.199 505 2HB ASN 43 1HB ASN 43 3.578 7.513 -0.435 506 1HD2 ASN 43 1HD2 ASN 43 0.262 7.281 -1.484 507 2HD2 ASN 43 2HD2 ASN 43 0.280 8.745 -2.392 508 QB ASN 43 QB ASN 43 2.809 7.105 -0.317 509 QD ASN 43 QD2 ASN 43 0.271 8.013 -1.938 510 H LEU 44 H LEU 44 3.543 3.662 -0.635 511 HA LEU 44 HA LEU 44 6.073 4.165 0.519 512 1HB LEU 44 2HB LEU 44 4.631 1.574 -0.008 513 2HB LEU 44 1HB LEU 44 6.116 1.702 0.925 514 HG LEU 44 HG LEU 44 3.473 2.970 1.661 515 1HD1 LEU 44 1HD1 LEU 44 3.382 0.540 1.807 516 2HD1 LEU 44 3HD1 LEU 44 4.853 0.536 2.781 517 3HD1 LEU 44 2HD1 LEU 44 3.381 1.270 3.415 518 1HD2 LEU 44 3HD2 LEU 44 6.063 2.738 3.197 519 2HD2 LEU 44 2HD2 LEU 44 5.388 4.223 2.525 520 3HD2 LEU 44 1HD2 LEU 44 4.551 3.386 3.828 521 MD1 LEU 44 QD1 LEU 44 3.872 0.782 2.668 522 MD2 LEU 44 QD2 LEU 44 5.334 3.449 3.183 523 QB LEU 44 QB LEU 44 5.374 1.638 0.458 524 QD LEU 44 QQD LEU 44 4.603 2.115 2.926 525 H LEU 45 H LEU 45 5.057 2.698 -2.506 526 HA LEU 45 HA LEU 45 7.711 1.936 -3.301 527 1HB LEU 45 2HB LEU 45 5.186 2.326 -4.906 528 2HB LEU 45 1HB LEU 45 6.712 1.908 -5.645 529 HG LEU 45 HG LEU 45 6.704 -0.206 -4.299 530 1HD1 LEU 45 3HD1 LEU 45 5.200 0.460 -2.509 531 2HD1 LEU 45 2HD1 LEU 45 3.877 0.598 -3.669 532 3HD1 LEU 45 1HD1 LEU 45 4.606 -0.976 -3.346 533 1HD2 LEU 45 3HD2 LEU 45 4.400 0.265 -6.171 534 2HD2 LEU 45 2HD2 LEU 45 6.047 -0.186 -6.615 535 3HD2 LEU 45 1HD2 LEU 45 5.038 -1.305 -5.699 536 MD1 LEU 45 QD1 LEU 45 4.561 0.027 -3.175 537 MD2 LEU 45 QD2 LEU 45 5.162 -0.409 -6.162 538 QB LEU 45 QB LEU 45 5.949 2.117 -5.276 539 QD LEU 45 QQD LEU 45 4.861 -0.191 -4.668 540 H ILE 46 H ILE 46 5.604 4.641 -3.841 541 HA ILE 46 HA ILE 46 7.174 6.105 -5.642 542 HB ILE 46 HB ILE 46 5.220 7.161 -3.562 543 1HG1 ILE 46 2HG1 ILE 46 4.772 6.408 -6.464 544 2HG1 ILE 46 1HG1 ILE 46 4.237 5.477 -5.072 545 1HG2 ILE 46 1HG2 ILE 46 6.647 8.927 -4.435 546 2HG2 ILE 46 3HG2 ILE 46 6.246 8.468 -6.089 547 3HG2 ILE 46 2HG2 ILE 46 4.996 9.117 -5.028 548 1HD1 ILE 46 2HD1 ILE 46 2.767 7.333 -4.415 549 2HD1 ILE 46 1HD1 ILE 46 3.304 8.243 -5.825 550 3HD1 ILE 46 3HD1 ILE 46 2.406 6.740 -6.035 551 MG ILE 46 QG2 ILE 46 5.963 8.838 -5.184 552 MD ILE 46 QD1 ILE 46 2.826 7.438 -5.425 553 QG ILE 46 QG1 ILE 46 4.504 5.942 -5.768 554 H GLU 47 H GLU 47 7.298 5.744 -2.202 555 HA GLU 47 HA GLU 47 8.924 7.869 -1.434 556 1HB GLU 47 2HB GLU 47 7.677 6.287 0.025 557 2HB GLU 47 1HB GLU 47 8.909 5.078 -0.300 558 1HG GLU 47 2HG GLU 47 9.390 6.031 1.810 559 2HG GLU 47 1HG GLU 47 10.584 6.662 0.678 560 QB GLU 47 QB GLU 47 8.293 5.682 -0.137 561 QG GLU 47 QG GLU 47 9.987 6.346 1.244 562 H LEU 48 H LEU 48 9.777 4.736 -2.862 563 HA LEU 48 HA LEU 48 12.594 5.095 -2.480 564 1HB LEU 48 2HB LEU 48 11.040 3.230 -4.285 565 2HB LEU 48 1HB LEU 48 12.783 3.313 -4.335 566 HG LEU 48 HG LEU 48 12.175 1.398 -3.084 567 1HD1 LEU 48 3HD1 LEU 48 14.089 2.584 -2.239 568 2HD1 LEU 48 2HD1 LEU 48 13.056 3.510 -1.151 569 3HD1 LEU 48 1HD1 LEU 48 13.218 1.775 -0.936 570 1HD2 LEU 48 2HD2 LEU 48 10.483 3.176 -1.336 571 2HD2 LEU 48 1HD2 LEU 48 9.890 1.970 -2.479 572 3HD2 LEU 48 3HD2 LEU 48 10.801 1.466 -1.055 573 MD1 LEU 48 QD1 LEU 48 13.454 2.623 -1.442 574 MD2 LEU 48 QD2 LEU 48 10.391 2.204 -1.623 575 QB LEU 48 QB LEU 48 11.912 3.272 -4.310 576 QD LEU 48 QQD LEU 48 11.923 2.414 -1.533 577 H LYS 49 H LYS 49 10.301 5.903 -4.903 578 HA LYS 49 HA LYS 49 12.176 6.626 -6.936 579 1HB LYS 49 2HB LYS 49 9.274 7.397 -6.609 580 2HB LYS 49 1HB LYS 49 10.217 7.583 -8.076 581 1HG LYS 49 2HG LYS 49 9.578 4.942 -6.750 582 2HG LYS 49 1HG LYS 49 8.705 5.611 -8.120 583 1HD LYS 49 2HD LYS 49 11.654 4.923 -8.115 584 2HD LYS 49 1HD LYS 49 10.384 3.887 -8.752 585 1HE LYS 49 2HE LYS 49 11.009 6.667 -9.737 586 2HE LYS 49 1HE LYS 49 11.536 5.180 -10.523 587 1HZ LYS 49 1HZ LYS 49 9.204 4.606 -10.844 588 2HZ LYS 49 3HZ LYS 49 8.722 6.058 -10.131 589 3HZ LYS 49 2HZ LYS 49 9.581 6.057 -11.582 590 QB LYS 49 QB LYS 49 9.746 7.490 -7.342 591 QD LYS 49 QD LYS 49 11.019 4.405 -8.434 592 QG LYS 49 QG LYS 49 9.141 5.276 -7.435 593 QE LYS 49 QE LYS 49 11.272 5.924 -10.130 594 QZ LYS 49 QZ LYS 49 9.169 5.573 -10.852 595 H THR 50 H THR 50 10.303 8.422 -4.515 596 HA THR 50 HA THR 50 11.130 10.967 -5.318 597 HB THR 50 HB THR 50 10.286 11.686 -3.037 598 HG1 THR 50 1HG THR 50 10.370 9.950 -1.741 599 1HG2 THR 50 3HG2 THR 50 8.609 9.993 -4.817 600 2HG2 THR 50 2HG2 THR 50 7.961 11.175 -3.658 601 3HG2 THR 50 1HG2 THR 50 8.945 11.708 -5.038 602 MG THR 50 QG2 THR 50 8.505 10.959 -4.505 603 H LYS 51 H LYS 51 12.793 8.629 -3.605 604 HA LYS 51 HA LYS 51 14.617 10.184 -2.132 605 1HB LYS 51 2HB LYS 51 15.080 7.558 -3.588 606 2HB LYS 51 1HB LYS 51 16.193 8.276 -2.441 607 1HG LYS 51 2HG LYS 51 14.610 7.971 -0.643 608 2HG LYS 51 1HG LYS 51 13.389 7.415 -1.784 609 1HD LYS 51 2HD LYS 51 14.376 5.511 -0.623 610 2HD LYS 51 1HD LYS 51 14.808 5.473 -2.329 611 1HE LYS 51 2HE LYS 51 17.005 6.398 -1.791 612 2HE LYS 51 1HE LYS 51 16.565 6.460 -0.084 613 1HZ LYS 51 1HZ LYS 51 16.789 3.986 -1.730 614 2HZ LYS 51 3HZ LYS 51 17.903 4.541 -0.607 615 3HZ LYS 51 2HZ LYS 51 16.400 4.046 -0.079 616 QB LYS 51 QB LYS 51 15.637 7.917 -3.014 617 QD LYS 51 QD LYS 51 14.592 5.492 -1.476 618 QG LYS 51 QG LYS 51 14.000 7.693 -1.214 619 QE LYS 51 QE LYS 51 16.785 6.429 -0.937 620 QZ LYS 51 QZ LYS 51 17.031 4.191 -0.805 621 H LYS 52 H LYS 52 14.401 9.184 -5.489 622 HA LYS 52 HA LYS 52 15.547 9.442 -7.349 623 1HB LYS 52 2HB LYS 52 15.875 11.714 -8.167 624 2HB LYS 52 1HB LYS 52 14.324 11.508 -7.385 625 1HG LYS 52 2HG LYS 52 15.130 12.702 -5.435 626 2HG LYS 52 1HG LYS 52 16.734 12.837 -6.164 627 1HD LYS 52 2HD LYS 52 15.801 14.079 -8.018 628 2HD LYS 52 1HD LYS 52 14.189 13.936 -7.326 629 1HE LYS 52 2HE LYS 52 15.147 16.144 -6.840 630 2HE LYS 52 1HE LYS 52 14.902 15.218 -5.361 631 1HZ LYS 52 2HZ LYS 52 17.495 15.543 -6.779 632 2HZ LYS 52 1HZ LYS 52 17.025 16.369 -5.400 633 3HZ LYS 52 3HZ LYS 52 17.258 14.710 -5.327 634 QB LYS 52 QB LYS 52 15.100 11.611 -7.776 635 QD LYS 52 QD LYS 52 14.995 14.008 -7.672 636 QG LYS 52 QG LYS 52 15.932 12.770 -5.799 637 QE LYS 52 QE LYS 52 15.025 15.681 -6.100 638 QZ LYS 52 QZ LYS 52 17.259 15.541 -5.835 639 H LYS 53 H LYS 53 17.353 9.722 -4.743 640 HA LYS 53 HA LYS 53 19.852 10.100 -6.093 641 1HB LYS 53 2HB LYS 53 20.805 9.677 -3.797 642 2HB LYS 53 1HB LYS 53 19.692 11.014 -3.895 643 1HG LYS 53 2HG LYS 53 19.141 9.946 -1.852 644 2HG LYS 53 1HG LYS 53 17.897 9.418 -2.972 645 1HD LYS 53 2HD LYS 53 18.709 7.591 -1.550 646 2HD LYS 53 1HD LYS 53 19.014 7.280 -3.257 647 1HE LYS 53 2HE LYS 53 20.933 6.627 -1.892 648 2HE LYS 53 1HE LYS 53 21.364 7.948 -2.958 649 1HZ LYS 53 1HZ LYS 53 20.733 8.180 -0.054 650 2HZ LYS 53 3HZ LYS 53 22.252 8.244 -0.766 651 3HZ LYS 53 2HZ LYS 53 21.166 9.470 -1.077 652 QB LYS 53 QB LYS 53 20.249 10.345 -3.846 653 QD LYS 53 QD LYS 53 18.861 7.435 -2.403 654 QG LYS 53 QG LYS 53 18.519 9.682 -2.412 655 QE LYS 53 QE LYS 53 21.148 7.288 -2.425 656 QZ LYS 53 QZ LYS 53 21.384 8.631 -0.632 657 H ARG 54 H ARG 54 18.070 8.001 -6.877 658 HA ARG 54 HA ARG 54 19.099 5.493 -5.953 659 1HB ARG 54 2HB ARG 54 17.482 5.944 -8.472 660 2HB ARG 54 1HB ARG 54 17.589 4.473 -7.519 661 1HG ARG 54 2HG ARG 54 16.488 5.862 -5.639 662 2HG ARG 54 1HG ARG 54 16.078 6.995 -6.927 663 1HD ARG 54 2HD ARG 54 14.204 5.575 -6.691 664 2HD ARG 54 1HD ARG 54 15.044 5.007 -8.140 665 HE ARG 54 HE ARG 54 15.992 3.660 -5.864 666 1HH1 ARG 54 1HH1 ARG 54 13.181 3.663 -8.012 667 2HH1 ARG 54 2HH1 ARG 54 12.742 2.062 -7.666 668 1HH2 ARG 54 1HH2 ARG 54 15.389 1.491 -5.382 669 2HH2 ARG 54 2HH2 ARG 54 14.049 0.770 -6.146 670 QB ARG 54 QB ARG 54 17.536 5.209 -7.996 671 QG ARG 54 QG ARG 54 16.283 6.428 -6.283 672 QD ARG 54 QD ARG 54 14.624 5.291 -7.415 673 QH1 ARG 54 QH1 ARG 54 12.961 2.862 -7.839 674 QH2 ARG 54 QH2 ARG 54 14.719 1.130 -5.764 675 H TYR 55 H TYR 55 20.498 4.152 -7.143 676 HA TYR 55 HA TYR 55 22.492 5.669 -8.438 677 1HB TYR 55 2HB TYR 55 22.269 2.712 -7.933 678 2HB TYR 55 1HB TYR 55 23.688 3.485 -8.640 679 HD1 TYR 55 1HD TYR 55 25.110 4.934 -7.309 680 HD2 TYR 55 2HD TYR 55 21.744 3.013 -5.557 681 HE1 TYR 55 1HE TYR 55 25.992 5.444 -5.071 682 HE2 TYR 55 2HE TYR 55 22.612 3.521 -3.317 683 HH TYR 55 HH TYR 55 25.194 5.700 -2.793 684 QB TYR 55 QB TYR 55 22.978 3.098 -8.286 685 QD TYR 55 QD TYR 55 23.427 3.974 -6.433 686 QE TYR 55 QE TYR 55 24.302 4.482 -4.194 687 QR TYR 55 QR TYR 55 23.864 4.228 -5.314 688 H SER 56 H SER 56 19.812 3.924 -9.584 689 HA SER 56 HA SER 56 20.648 3.482 -12.213 690 1HB SER 56 2HB SER 56 18.078 3.552 -12.537 691 2HB SER 56 1HB SER 56 18.750 2.306 -11.485 692 HG SER 56 HG SER 56 17.138 4.446 -10.879 693 QB SER 56 QB SER 56 18.414 2.929 -12.011 694 H LEU 57 H LEU 57 19.695 6.332 -10.505 695 HA LEU 57 HA LEU 57 19.301 7.853 -12.973 696 1HB LEU 57 2HB LEU 57 19.034 8.723 -10.090 697 2HB LEU 57 1HB LEU 57 18.700 9.733 -11.475 698 HG LEU 57 HG LEU 57 17.127 7.304 -10.597 699 1HD1 LEU 57 2HD1 LEU 57 16.431 10.231 -10.648 700 2HD1 LEU 57 1HD1 LEU 57 15.338 8.915 -10.228 701 3HD1 LEU 57 3HD1 LEU 57 16.743 9.252 -9.223 702 1HD2 LEU 57 2HD2 LEU 57 16.748 9.119 -12.973 703 2HD2 LEU 57 1HD2 LEU 57 17.168 7.411 -13.030 704 3HD2 LEU 57 3HD2 LEU 57 15.588 7.911 -12.424 705 MD1 LEU 57 QD1 LEU 57 16.171 9.466 -10.033 706 MD2 LEU 57 QD2 LEU 57 16.502 8.147 -12.809 707 QB LEU 57 QB LEU 57 18.867 9.228 -10.783 708 QD LEU 57 QQD LEU 57 16.336 8.806 -11.421 709 H LEU 58 H LEU 58 21.317 7.711 -10.110 710 HA LEU 58 HA LEU 58 22.914 9.970 -10.840 711 1HB LEU 58 2HB LEU 58 23.483 7.864 -8.774 712 2HB LEU 58 1HB LEU 58 24.293 9.407 -8.928 713 HG LEU 58 HG LEU 58 21.422 8.954 -8.120 714 1HD1 LEU 58 1HD1 LEU 58 23.027 8.405 -6.403 715 2HD1 LEU 58 3HD1 LEU 58 23.806 9.975 -6.604 716 3HD1 LEU 58 2HD1 LEU 58 22.153 9.877 -5.984 717 1HD2 LEU 58 1HD2 LEU 58 21.630 11.015 -9.454 718 2HD2 LEU 58 3HD2 LEU 58 21.306 11.374 -7.759 719 3HD2 LEU 58 2HD2 LEU 58 22.934 11.562 -8.395 720 MD1 LEU 58 QD1 LEU 58 22.996 9.419 -6.330 721 MD2 LEU 58 QD2 LEU 58 21.957 11.317 -8.536 722 QB LEU 58 QB LEU 58 23.888 8.635 -8.851 723 QD LEU 58 QQD LEU 58 22.476 10.368 -7.433 724 H GLU 59 H GLU 59 23.414 6.447 -11.030 725 HA GLU 59 HA GLU 59 26.061 6.918 -12.163 726 1HB GLU 59 2HB GLU 59 24.808 4.497 -10.851 727 2HB GLU 59 1HB GLU 59 26.437 4.573 -11.490 728 1HG GLU 59 2HG GLU 59 25.389 6.216 -9.200 729 2HG GLU 59 1HG GLU 59 26.354 4.747 -9.055 730 QB GLU 59 QB GLU 59 25.622 4.535 -11.171 731 QG GLU 59 QG GLU 59 25.871 5.482 -9.128 732 H HIS 60 H HIS 60 26.264 4.454 -13.272 733 HA HIS 60 HA HIS 60 24.148 4.357 -15.284 734 1HB HIS 60 2HB HIS 60 27.054 3.551 -15.448 735 2HB HIS 60 1HB HIS 60 25.864 2.942 -16.592 736 HD1 HIS 60 1HD HIS 60 25.386 4.417 -18.590 737 HD2 HIS 60 2HD HIS 60 27.319 6.435 -15.515 738 HE1 HIS 60 1HE HIS 60 25.956 6.688 -19.494 739 QB HIS 60 QB HIS 60 26.459 3.246 -16.020 740 H HIS 61 H HIS 61 23.381 2.325 -15.872 741 HA HIS 61 HA HIS 61 22.466 0.345 -15.478 742 1HB HIS 61 2HB HIS 61 24.860 -0.108 -13.682 743 2HB HIS 61 1HB HIS 61 23.577 -1.302 -13.851 744 HD1 HIS 61 1HD HIS 61 24.338 -3.106 -15.405 745 HD2 HIS 61 2HD HIS 61 25.744 0.632 -16.542 746 HE1 HIS 61 1HE HIS 61 25.713 -3.478 -17.486 747 QB HIS 61 QB HIS 61 24.218 -0.705 -13.766 748 H HIS 62 H HIS 62 21.409 -0.989 -13.726 749 HA HIS 62 HA HIS 62 20.118 0.976 -12.022 750 1HB HIS 62 2HB HIS 62 19.204 -1.772 -12.904 751 2HB HIS 62 1HB HIS 62 18.287 -0.720 -11.833 752 HD1 HIS 62 1HD HIS 62 19.354 -1.040 -15.448 753 HD2 HIS 62 2HD HIS 62 16.956 1.376 -13.062 754 HE1 HIS 62 1HE HIS 62 18.048 0.423 -17.018 755 QB HIS 62 QB HIS 62 18.745 -1.246 -12.369 756 H HIS 63 H HIS 63 22.513 -1.155 -11.706 757 HA HIS 63 HA HIS 63 21.926 -1.617 -8.868 758 1HB HIS 63 2HB HIS 63 21.706 -3.731 -10.195 759 2HB HIS 63 1HB HIS 63 23.368 -3.522 -10.735 760 HD1 HIS 63 1HD HIS 63 25.251 -4.067 -8.976 761 HD2 HIS 63 2HD HIS 63 21.369 -4.689 -7.645 762 HE1 HIS 63 1HE HIS 63 25.455 -5.377 -6.837 763 QB HIS 63 QB HIS 63 22.537 -3.627 -10.465 764 H HIS 64 H HIS 64 23.637 -1.177 -7.525 765 HA HIS 64 HA HIS 64 26.229 -0.628 -8.698 766 1HB HIS 64 2HB HIS 64 24.983 1.540 -8.594 767 2HB HIS 64 1HB HIS 64 24.777 1.309 -6.867 768 HD1 HIS 64 1HD HIS 64 27.283 2.344 -9.421 769 HD2 HIS 64 2HD HIS 64 27.054 1.784 -5.323 770 HE1 HIS 64 1HE HIS 64 29.319 3.476 -8.451 771 QB HIS 64 QB HIS 64 24.880 1.425 -7.730 No H/Q in entry = 771 Start of MODEL 23 1 H1 MET 1 1HT MET 1 9.373 -6.448 3.859 2 H2 MET 1 3HT MET 1 10.013 -4.974 4.373 3 H3 MET 1 2HT MET 1 8.904 -5.020 3.111 4 HA MET 1 HA MET 1 11.027 -4.632 2.222 5 1HB MET 1 2HB MET 1 12.842 -6.287 2.448 6 2HB MET 1 1HB MET 1 12.390 -5.620 4.008 7 1HG MET 1 2HG MET 1 11.176 -7.636 4.558 8 2HG MET 1 1HG MET 1 11.478 -8.287 2.952 9 1HE MET 1 1HE MET 1 14.011 -6.274 5.246 10 2HE MET 1 3HE MET 1 13.105 -7.263 6.395 11 3HE MET 1 2HE MET 1 14.812 -7.596 6.094 12 QB MET 1 QB MET 1 12.616 -5.954 3.228 13 QG MET 1 QG MET 1 11.327 -7.962 3.755 14 ME MET 1 QE MET 1 13.976 -7.044 5.912 15 H ASN 2 H ASN 2 11.891 -5.782 0.309 16 HA ASN 2 HA ASN 2 11.669 -6.823 -1.623 17 1HB ASN 2 2HB ASN 2 9.902 -8.782 -0.132 18 2HB ASN 2 1HB ASN 2 10.297 -8.958 -1.839 19 1HD2 ASN 2 1HD2 ASN 2 11.418 -9.320 1.399 20 2HD2 ASN 2 2HD2 ASN 2 12.945 -10.003 0.983 21 QB ASN 2 QB ASN 2 10.099 -8.870 -0.985 22 QD ASN 2 QD2 ASN 2 12.181 -9.661 1.191 23 H VAL 3 H VAL 3 10.850 -5.818 -3.195 24 HA VAL 3 HA VAL 3 8.487 -4.321 -2.855 25 HB VAL 3 HB VAL 3 8.806 -3.496 -5.132 26 1HG1 VAL 3 2HG1 VAL 3 11.352 -3.664 -3.538 27 2HG1 VAL 3 1HG1 VAL 3 11.043 -2.507 -4.831 28 3HG1 VAL 3 3HG1 VAL 3 10.070 -2.465 -3.361 29 1HG2 VAL 3 1HG2 VAL 3 9.570 -5.572 -6.221 30 2HG2 VAL 3 3HG2 VAL 3 10.691 -4.243 -6.520 31 3HG2 VAL 3 2HG2 VAL 3 11.088 -5.471 -5.326 32 MG1 VAL 3 QG1 VAL 3 10.822 -2.878 -3.910 33 MG2 VAL 3 QG2 VAL 3 10.449 -5.095 -6.022 34 QG VAL 3 QQG VAL 3 10.636 -3.987 -4.966 35 H THR 4 H THR 4 9.072 -7.400 -4.322 36 HA THR 4 HA THR 4 6.736 -7.420 -5.857 37 HB THR 4 HB THR 4 8.489 -9.034 -6.370 38 HG1 THR 4 1HG THR 4 7.143 -10.823 -6.665 39 1HG2 THR 4 1HG2 THR 4 9.244 -9.475 -4.050 40 2HG2 THR 4 3HG2 THR 4 7.761 -10.384 -3.766 41 3HG2 THR 4 2HG2 THR 4 8.941 -10.962 -4.944 42 MG THR 4 QG2 THR 4 8.649 -10.274 -4.254 43 H LYS 5 H LYS 5 7.269 -8.431 -2.499 44 HA LYS 5 HA LYS 5 4.532 -9.239 -2.370 45 1HB LYS 5 2HB LYS 5 4.877 -9.586 0.081 46 2HB LYS 5 1HB LYS 5 5.962 -10.495 -0.942 47 1HG LYS 5 2HG LYS 5 7.748 -8.937 -0.463 48 2HG LYS 5 1HG LYS 5 6.648 -7.958 0.503 49 1HD LYS 5 2HD LYS 5 7.935 -9.269 2.029 50 2HD LYS 5 1HD LYS 5 6.317 -9.946 1.999 51 1HE LYS 5 2HE LYS 5 8.669 -11.070 0.454 52 2HE LYS 5 1HE LYS 5 8.189 -11.632 2.044 53 1HZ LYS 5 3HZ LYS 5 5.998 -12.281 1.007 54 2HZ LYS 5 2HZ LYS 5 6.665 -11.943 -0.509 55 3HZ LYS 5 1HZ LYS 5 7.329 -13.115 0.427 56 QB LYS 5 QB LYS 5 5.419 -10.041 -0.431 57 QD LYS 5 QD LYS 5 7.126 -9.607 2.014 58 QG LYS 5 QG LYS 5 7.198 -8.447 0.020 59 QE LYS 5 QE LYS 5 8.429 -11.351 1.249 60 QZ LYS 5 QZ LYS 5 6.664 -12.446 0.308 61 H LEU 6 H LEU 6 6.328 -6.390 -1.759 62 HA LEU 6 HA LEU 6 4.466 -4.933 -0.249 63 1HB LEU 6 2HB LEU 6 6.787 -4.179 -0.757 64 2HB LEU 6 1HB LEU 6 6.311 -3.968 -2.429 65 HG LEU 6 HG LEU 6 4.796 -2.138 -1.791 66 1HD1 LEU 6 3HD1 LEU 6 5.870 -2.583 0.989 67 2HD1 LEU 6 2HD1 LEU 6 4.834 -1.253 0.465 68 3HD1 LEU 6 1HD1 LEU 6 4.219 -2.903 0.449 69 1HD2 LEU 6 2HD2 LEU 6 7.109 -1.644 -2.404 70 2HD2 LEU 6 1HD2 LEU 6 6.517 -0.520 -1.185 71 3HD2 LEU 6 3HD2 LEU 6 7.599 -1.830 -0.718 72 MD1 LEU 6 QD1 LEU 6 4.975 -2.246 0.634 73 MD2 LEU 6 QD2 LEU 6 7.075 -1.331 -1.436 74 QB LEU 6 QB LEU 6 6.549 -4.074 -1.593 75 QD LEU 6 QQD LEU 6 6.025 -1.789 -0.401 76 H ASN 7 H ASN 7 4.942 -5.136 -3.760 77 HA ASN 7 HA ASN 7 2.724 -3.596 -4.538 78 1HB ASN 7 2HB ASN 7 4.671 -4.231 -6.003 79 2HB ASN 7 1HB ASN 7 4.050 -5.865 -6.063 80 1HD2 ASN 7 1HD2 ASN 7 1.206 -4.976 -6.446 81 2HD2 ASN 7 2HD2 ASN 7 1.137 -4.422 -8.064 82 QB ASN 7 QB ASN 7 4.360 -5.048 -6.033 83 QD ASN 7 QD2 ASN 7 1.172 -4.699 -7.255 84 H ASP 8 H ASP 8 3.145 -7.024 -3.975 85 HA ASP 8 HA ASP 8 0.672 -7.980 -4.816 86 1HB ASP 8 2HB ASP 8 2.548 -9.431 -4.363 87 2HB ASP 8 1HB ASP 8 2.505 -8.987 -2.661 88 QB ASP 8 QB ASP 8 2.526 -9.209 -3.512 89 H ARG 9 H ARG 9 1.680 -6.933 -1.587 90 HA ARG 9 HA ARG 9 -0.778 -7.442 -0.298 91 1HB ARG 9 2HB ARG 9 1.396 -5.461 0.403 92 2HB ARG 9 1HB ARG 9 0.057 -5.867 1.462 93 1HG ARG 9 2HG ARG 9 0.822 -8.181 1.561 94 2HG ARG 9 1HG ARG 9 2.131 -7.799 0.446 95 1HD ARG 9 2HD ARG 9 3.002 -7.846 2.683 96 2HD ARG 9 1HD ARG 9 3.003 -6.182 2.106 97 HE ARG 9 HE ARG 9 0.617 -6.707 3.486 98 1HH1 ARG 9 1HH1 ARG 9 4.070 -6.222 4.114 99 2HH1 ARG 9 2HH1 ARG 9 3.876 -5.643 5.692 100 1HH2 ARG 9 1HH2 ARG 9 0.325 -5.958 5.714 101 2HH2 ARG 9 2HH2 ARG 9 1.697 -5.502 6.626 102 QB ARG 9 QB ARG 9 0.727 -5.664 0.932 103 QG ARG 9 QG ARG 9 1.477 -7.990 1.004 104 QD ARG 9 QD ARG 9 3.003 -7.014 2.395 105 QH1 ARG 9 QH1 ARG 9 3.973 -5.932 4.903 106 QH2 ARG 9 QH2 ARG 9 1.011 -5.730 6.170 107 H ILE 10 H ILE 10 0.409 -4.685 -2.063 108 HA ILE 10 HA ILE 10 -1.637 -2.887 -1.381 109 HB ILE 10 HB ILE 10 0.060 -2.984 -3.896 110 1HG1 ILE 10 2HG1 ILE 10 0.344 -1.430 -1.337 111 2HG1 ILE 10 1HG1 ILE 10 1.309 -2.819 -1.779 112 1HG2 ILE 10 3HG2 ILE 10 -1.954 -1.628 -4.228 113 2HG2 ILE 10 2HG2 ILE 10 -1.597 -0.715 -2.761 114 3HG2 ILE 10 1HG2 ILE 10 -0.518 -0.605 -4.154 115 1HD1 ILE 10 3HD1 ILE 10 1.264 -0.180 -3.218 116 2HD1 ILE 10 2HD1 ILE 10 2.535 -0.757 -2.139 117 3HD1 ILE 10 1HD1 ILE 10 2.239 -1.577 -3.671 118 MG ILE 10 QG2 ILE 10 -1.356 -0.982 -3.714 119 MD ILE 10 QD1 ILE 10 2.013 -0.838 -3.010 120 QG ILE 10 QG1 ILE 10 0.827 -2.125 -1.558 121 H GLU 11 H GLU 11 -1.290 -5.087 -4.158 122 HA GLU 11 HA GLU 11 -3.801 -4.429 -5.268 123 1HB GLU 11 2HB GLU 11 -2.028 -6.822 -5.673 124 2HB GLU 11 1HB GLU 11 -3.563 -6.641 -6.513 125 1HG GLU 11 2HG GLU 11 -2.753 -4.498 -7.441 126 2HG GLU 11 1HG GLU 11 -1.199 -4.788 -6.668 127 QB GLU 11 QB GLU 11 -2.796 -6.731 -6.093 128 QG GLU 11 QG GLU 11 -1.976 -4.643 -7.055 129 H ALA 12 H ALA 12 -2.888 -6.715 -2.839 130 HA ALA 12 HA ALA 12 -5.359 -8.081 -2.754 131 1HB ALA 12 1HB ALA 12 -3.317 -8.972 -1.699 132 2HB ALA 12 2HB ALA 12 -4.651 -8.873 -0.550 133 3HB ALA 12 3HB ALA 12 -3.368 -7.666 -0.515 134 MB ALA 12 QB ALA 12 -3.778 -8.503 -0.921 135 H LYS 13 H LYS 13 -4.216 -5.092 -1.244 136 HA LYS 13 HA LYS 13 -6.619 -4.900 0.325 137 1HB LYS 13 2HB LYS 13 -4.467 -2.827 -0.118 138 2HB LYS 13 1HB LYS 13 -5.859 -2.597 0.927 139 1HG LYS 13 2HG LYS 13 -5.039 -4.677 2.163 140 2HG LYS 13 1HG LYS 13 -3.525 -4.436 1.287 141 1HD LYS 13 2HD LYS 13 -3.438 -2.121 2.170 142 2HD LYS 13 1HD LYS 13 -4.890 -2.453 3.107 143 1HE LYS 13 2HE LYS 13 -3.650 -4.347 4.188 144 2HE LYS 13 1HE LYS 13 -2.198 -3.771 3.377 145 1HZ LYS 13 1HZ LYS 13 -2.489 -1.614 4.583 146 2HZ LYS 13 3HZ LYS 13 -3.813 -2.295 5.390 147 3HZ LYS 13 2HZ LYS 13 -2.295 -2.933 5.603 148 QB LYS 13 QB LYS 13 -5.163 -2.712 0.404 149 QD LYS 13 QD LYS 13 -4.164 -2.287 2.638 150 QG LYS 13 QG LYS 13 -4.282 -4.557 1.725 151 QE LYS 13 QE LYS 13 -2.924 -4.059 3.783 152 QZ LYS 13 QZ LYS 13 -2.866 -2.281 5.192 153 H LYS 14 H LYS 14 -5.461 -3.725 -2.682 154 HA LYS 14 HA LYS 14 -7.481 -1.895 -3.271 155 1HB LYS 14 2HB LYS 14 -5.803 -3.670 -5.012 156 2HB LYS 14 1HB LYS 14 -7.009 -2.587 -5.690 157 1HG LYS 14 2HG LYS 14 -5.876 -0.687 -4.803 158 2HG LYS 14 1HG LYS 14 -4.753 -1.727 -3.922 159 1HD LYS 14 2HD LYS 14 -3.756 -2.494 -5.828 160 2HD LYS 14 1HD LYS 14 -5.032 -1.895 -6.901 161 1HE LYS 14 2HE LYS 14 -3.103 -0.219 -5.287 162 2HE LYS 14 1HE LYS 14 -3.017 -0.503 -7.031 163 1HZ LYS 14 2HZ LYS 14 -5.175 0.567 -7.241 164 2HZ LYS 14 1HZ LYS 14 -5.225 0.931 -5.618 165 3HZ LYS 14 3HZ LYS 14 -4.072 1.638 -6.635 166 QB LYS 14 QB LYS 14 -6.406 -3.129 -5.351 167 QD LYS 14 QD LYS 14 -4.394 -2.195 -6.365 168 QG LYS 14 QG LYS 14 -5.315 -1.207 -4.362 169 QE LYS 14 QE LYS 14 -3.060 -0.361 -6.159 170 QZ LYS 14 QZ LYS 14 -4.824 1.046 -6.498 171 H LYS 15 H LYS 15 -7.350 -5.396 -3.837 172 HA LYS 15 HA LYS 15 -9.956 -5.420 -4.959 173 1HB LYS 15 2HB LYS 15 -9.782 -7.779 -5.093 174 2HB LYS 15 1HB LYS 15 -8.205 -7.121 -5.438 175 1HG LYS 15 2HG LYS 15 -7.758 -8.965 -4.170 176 2HG LYS 15 1HG LYS 15 -7.639 -7.647 -3.011 177 1HD LYS 15 2HD LYS 15 -8.808 -9.552 -2.072 178 2HD LYS 15 1HD LYS 15 -9.863 -8.156 -2.178 179 1HE LYS 15 2HE LYS 15 -10.987 -10.270 -2.864 180 2HE LYS 15 1HE LYS 15 -10.977 -9.054 -4.131 181 1HZ LYS 15 1HZ LYS 15 -9.111 -11.373 -3.960 182 2HZ LYS 15 3HZ LYS 15 -10.444 -11.257 -4.970 183 3HZ LYS 15 2HZ LYS 15 -9.144 -10.239 -5.198 184 QB LYS 15 QB LYS 15 -8.993 -7.450 -5.265 185 QD LYS 15 QD LYS 15 -9.335 -8.854 -2.125 186 QG LYS 15 QG LYS 15 -7.699 -8.306 -3.591 187 QE LYS 15 QE LYS 15 -10.982 -9.662 -3.498 188 QZ LYS 15 QZ LYS 15 -9.566 -10.956 -4.710 189 H GLU 16 H GLU 16 -8.762 -5.630 -1.759 190 HA GLU 16 HA GLU 16 -11.107 -6.552 -0.449 191 1HB GLU 16 2HB GLU 16 -8.765 -6.336 0.522 192 2HB GLU 16 1HB GLU 16 -9.032 -4.607 0.587 193 1HG GLU 16 2HG GLU 16 -9.397 -5.484 2.760 194 2HG GLU 16 1HG GLU 16 -10.964 -5.029 2.096 195 QB GLU 16 QB GLU 16 -8.898 -5.472 0.554 196 QG GLU 16 QG GLU 16 -10.180 -5.256 2.428 197 H LEU 17 H LEU 17 -9.779 -3.380 -1.237 198 HA LEU 17 HA LEU 17 -11.847 -1.831 -0.193 199 1HB LEU 17 2HB LEU 17 -9.564 -1.030 -0.773 200 2HB LEU 17 1HB LEU 17 -9.983 -1.160 -2.466 201 HG LEU 17 HG LEU 17 -11.711 0.575 -2.156 202 1HD1 LEU 17 3HD1 LEU 17 -10.613 0.691 0.642 203 2HD1 LEU 17 2HD1 LEU 17 -11.731 1.862 -0.050 204 3HD1 LEU 17 1HD1 LEU 17 -12.235 0.187 0.187 205 1HD2 LEU 17 2HD2 LEU 17 -9.450 1.195 -2.869 206 2HD2 LEU 17 1HD2 LEU 17 -10.178 2.452 -1.862 207 3HD2 LEU 17 3HD2 LEU 17 -8.967 1.364 -1.180 208 MD1 LEU 17 QD1 LEU 17 -11.526 0.914 0.259 209 MD2 LEU 17 QD2 LEU 17 -9.532 1.671 -1.970 210 QB LEU 17 QB LEU 17 -9.773 -1.095 -1.620 211 QD LEU 17 QQD LEU 17 -10.529 1.292 -0.855 212 H ILE 18 H ILE 18 -11.321 -3.179 -3.427 213 HA ILE 18 HA ILE 18 -13.552 -2.044 -4.701 214 HB ILE 18 HB ILE 18 -12.265 -4.753 -5.218 215 1HG1 ILE 18 2HG1 ILE 18 -11.950 -2.105 -6.657 216 2HG1 ILE 18 1HG1 ILE 18 -10.788 -2.801 -5.538 217 1HG2 ILE 18 3HG2 ILE 18 -14.538 -4.752 -6.108 218 2HG2 ILE 18 2HG2 ILE 18 -14.215 -3.241 -6.962 219 3HG2 ILE 18 1HG2 ILE 18 -13.358 -4.710 -7.422 220 1HD1 ILE 18 1HD1 ILE 18 -11.617 -3.976 -8.187 221 2HD1 ILE 18 3HD1 ILE 18 -10.111 -3.123 -7.853 222 3HD1 ILE 18 2HD1 ILE 18 -10.434 -4.671 -7.078 223 MG ILE 18 QG2 ILE 18 -14.037 -4.234 -6.831 224 MD ILE 18 QD1 ILE 18 -10.721 -3.923 -7.706 225 QG ILE 18 QG1 ILE 18 -11.369 -2.453 -6.098 226 H TYR 19 H TYR 19 -13.247 -5.094 -2.957 227 HA TYR 19 HA TYR 19 -15.822 -6.104 -3.087 228 1HB TYR 19 2HB TYR 19 -13.897 -7.294 -2.150 229 2HB TYR 19 1HB TYR 19 -13.803 -6.147 -0.834 230 HD1 TYR 19 1HD TYR 19 -15.457 -6.253 1.009 231 HD2 TYR 19 2HD TYR 19 -15.431 -9.121 -2.119 232 HE1 TYR 19 1HE TYR 19 -16.797 -7.770 2.401 233 HE2 TYR 19 2HE TYR 19 -16.781 -10.648 -0.735 234 HH TYR 19 HH TYR 19 -17.171 -11.011 1.673 235 QB TYR 19 QB TYR 19 -13.850 -6.721 -1.492 236 QD TYR 19 QD TYR 19 -15.444 -7.687 -0.555 237 QE TYR 19 QE TYR 19 -16.789 -9.209 0.833 238 QR TYR 19 QR TYR 19 -16.116 -8.448 0.139 239 H LEU 20 H LEU 20 -14.428 -3.786 -0.837 240 HA LEU 20 HA LEU 20 -16.696 -3.400 0.780 241 1HB LEU 20 2HB LEU 20 -14.464 -1.442 0.252 242 2HB LEU 20 1HB LEU 20 -15.597 -1.426 1.587 243 HG LEU 20 HG LEU 20 -13.489 -3.534 1.134 244 1HD1 LEU 20 1HD1 LEU 20 -12.539 -1.390 1.738 245 2HD1 LEU 20 3HD1 LEU 20 -13.631 -1.291 3.118 246 3HD1 LEU 20 2HD1 LEU 20 -12.399 -2.552 3.052 247 1HD2 LEU 20 1HD2 LEU 20 -15.368 -3.084 3.442 248 2HD2 LEU 20 3HD2 LEU 20 -15.437 -4.422 2.288 249 3HD2 LEU 20 2HD2 LEU 20 -14.064 -4.273 3.385 250 MD1 LEU 20 QD1 LEU 20 -12.856 -1.744 2.636 251 MD2 LEU 20 QD2 LEU 20 -14.956 -3.927 3.038 252 QB LEU 20 QB LEU 20 -15.031 -1.434 0.919 253 QD LEU 20 QQD LEU 20 -13.906 -2.835 2.837 254 H VAL 21 H VAL 21 -15.463 -1.640 -2.033 255 HA VAL 21 HA VAL 21 -17.443 0.371 -2.042 256 HB VAL 21 HB VAL 21 -15.783 -0.663 -4.377 257 1HG1 VAL 21 3HG1 VAL 21 -17.768 0.528 -5.183 258 2HG1 VAL 21 2HG1 VAL 21 -17.374 1.897 -4.147 259 3HG1 VAL 21 1HG1 VAL 21 -16.306 1.469 -5.486 260 1HG2 VAL 21 2HG2 VAL 21 -14.431 0.251 -2.567 261 2HG2 VAL 21 1HG2 VAL 21 -14.391 1.313 -3.974 262 3HG2 VAL 21 3HG2 VAL 21 -15.391 1.730 -2.584 263 MG1 VAL 21 QG1 VAL 21 -17.150 1.298 -4.938 264 MG2 VAL 21 QG2 VAL 21 -14.738 1.098 -3.042 265 QG VAL 21 QQG VAL 21 -15.944 1.198 -3.990 266 H GLU 22 H GLU 22 -17.301 -2.796 -3.556 267 HA GLU 22 HA GLU 22 -19.677 -2.591 -5.056 268 1HB GLU 22 2HB GLU 22 -18.460 -5.058 -3.798 269 2HB GLU 22 1HB GLU 22 -19.712 -5.061 -5.024 270 1HG GLU 22 2HG GLU 22 -18.147 -4.005 -6.595 271 2HG GLU 22 1HG GLU 22 -16.899 -4.055 -5.352 272 QB GLU 22 QB GLU 22 -19.086 -5.059 -4.411 273 QG GLU 22 QG GLU 22 -17.523 -4.030 -5.974 274 H LYS 23 H LYS 23 -19.084 -3.856 -1.813 275 HA LYS 23 HA LYS 23 -21.859 -4.509 -1.452 276 1HB LYS 23 2HB LYS 23 -19.547 -4.658 0.452 277 2HB LYS 23 1HB LYS 23 -21.159 -5.245 0.811 278 1HG LYS 23 2HG LYS 23 -19.340 -6.254 -1.372 279 2HG LYS 23 1HG LYS 23 -19.672 -7.063 0.155 280 1HD LYS 23 2HD LYS 23 -21.660 -6.488 -2.056 281 2HD LYS 23 1HD LYS 23 -20.974 -8.056 -1.652 282 1HE LYS 23 2HE LYS 23 -22.051 -7.930 0.571 283 2HE LYS 23 1HE LYS 23 -22.754 -6.381 0.125 284 1HZ LYS 23 2HZ LYS 23 -23.899 -7.555 -1.715 285 2HZ LYS 23 1HZ LYS 23 -23.296 -9.006 -1.115 286 3HZ LYS 23 3HZ LYS 23 -24.341 -8.095 -0.159 287 QB LYS 23 QB LYS 23 -20.353 -4.951 0.632 288 QD LYS 23 QD LYS 23 -21.317 -7.272 -1.854 289 QG LYS 23 QG LYS 23 -19.506 -6.659 -0.609 290 QE LYS 23 QE LYS 23 -22.402 -7.155 0.348 291 QZ LYS 23 QZ LYS 23 -23.845 -8.219 -0.997 292 H TYR 24 H TYR 24 -19.729 -2.076 0.003 293 HA TYR 24 HA TYR 24 -22.037 -1.124 1.535 294 1HB TYR 24 2HB TYR 24 -19.151 -0.255 1.751 295 2HB TYR 24 1HB TYR 24 -20.453 0.136 2.865 296 HD1 TYR 24 1HD TYR 24 -17.828 -2.130 2.086 297 HD2 TYR 24 2HD TYR 24 -21.516 -1.828 4.151 298 HE1 TYR 24 1HE TYR 24 -17.237 -4.114 3.411 299 HE2 TYR 24 2HE TYR 24 -20.929 -3.816 5.491 300 HH TYR 24 HH TYR 24 -19.458 -5.786 5.258 301 QB TYR 24 QB TYR 24 -19.802 -0.060 2.308 302 QD TYR 24 QD TYR 24 -19.672 -1.979 3.118 303 QE TYR 24 QE TYR 24 -19.083 -3.965 4.451 304 QR TYR 24 QR TYR 24 -19.377 -2.972 3.785 305 H GLY 25 H GLY 25 -19.584 -0.081 -0.716 306 1HA GLY 25 1HA GLY 25 -21.100 2.404 -1.157 307 2HA GLY 25 2HA GLY 25 -20.323 1.496 -2.455 308 QA GLY 25 QA GLY 25 -20.711 1.950 -1.806 309 H PHE 26 H PHE 26 -19.692 4.136 -2.048 310 HA PHE 26 HA PHE 26 -16.991 3.909 -0.928 311 1HB PHE 26 2HB PHE 26 -16.309 5.649 -2.600 312 2HB PHE 26 1HB PHE 26 -16.774 4.106 -3.296 313 HD1 PHE 26 1HD PHE 26 -17.688 7.637 -2.907 314 HD2 PHE 26 2HD PHE 26 -18.747 3.914 -4.680 315 HE1 PHE 26 1HE PHE 26 -19.252 8.800 -4.408 316 HE2 PHE 26 2HE PHE 26 -20.311 5.070 -6.178 317 HZ PHE 26 HZ PHE 26 -20.561 7.513 -6.048 318 QB PHE 26 QB PHE 26 -16.541 4.878 -2.948 319 QD PHE 26 QD PHE 26 -18.217 5.775 -3.794 320 QE PHE 26 QE PHE 26 -19.782 6.935 -5.293 321 QR PHE 26 QR PHE 26 -19.312 6.587 -4.844 322 H THR 27 H THR 27 -19.863 5.199 -0.250 323 HA THR 27 HA THR 27 -18.827 7.730 0.766 324 HB THR 27 HB THR 27 -21.671 6.641 0.832 325 HG1 THR 27 1HG THR 27 -21.807 8.219 -1.016 326 1HG2 THR 27 3HG2 THR 27 -21.232 8.539 2.364 327 2HG2 THR 27 2HG2 THR 27 -20.598 9.474 1.011 328 3HG2 THR 27 1HG2 THR 27 -22.301 9.017 1.043 329 MG THR 27 QG2 THR 27 -21.377 9.010 1.473 330 H HIS 28 H HIS 28 -18.952 4.630 1.633 331 HA HIS 28 HA HIS 28 -19.794 4.800 4.366 332 1HB HIS 28 2HB HIS 28 -20.017 2.771 2.862 333 2HB HIS 28 1HB HIS 28 -18.277 2.584 2.968 334 HD1 HIS 28 1HD HIS 28 -21.387 2.404 5.110 335 HD2 HIS 28 2HD HIS 28 -17.412 1.234 5.155 336 HE1 HIS 28 1HE HIS 28 -21.149 0.849 7.067 337 QB HIS 28 QB HIS 28 -19.147 2.677 2.915 338 H HIS 29 H HIS 29 -18.523 5.186 6.073 339 HA HIS 29 HA HIS 29 -16.241 6.704 5.745 340 1HB HIS 29 2HB HIS 29 -17.732 6.936 7.664 341 2HB HIS 29 1HB HIS 29 -17.220 5.381 8.286 342 HD1 HIS 29 1HD HIS 29 -15.798 5.825 10.308 343 HD2 HIS 29 2HD HIS 29 -15.068 8.539 7.251 344 HE1 HIS 29 1HE HIS 29 -14.036 7.396 11.177 345 QB HIS 29 QB HIS 29 -17.476 6.158 7.975 346 H LYS 30 H LYS 30 -16.291 3.292 6.873 347 HA LYS 30 HA LYS 30 -13.489 3.351 7.135 348 1HB LYS 30 2HB LYS 30 -13.501 0.867 7.289 349 2HB LYS 30 1HB LYS 30 -14.497 1.692 8.461 350 1HG LYS 30 2HG LYS 30 -16.496 1.045 7.197 351 2HG LYS 30 1HG LYS 30 -15.461 0.263 5.993 352 1HD LYS 30 2HD LYS 30 -14.591 -1.252 7.609 353 2HD LYS 30 1HD LYS 30 -15.402 -0.387 8.906 354 1HE LYS 30 2HE LYS 30 -16.854 -1.834 6.680 355 2HE LYS 30 1HE LYS 30 -16.509 -2.549 8.252 356 1HZ LYS 30 1HZ LYS 30 -17.809 -0.698 9.253 357 2HZ LYS 30 3HZ LYS 30 -18.255 -0.194 7.710 358 3HZ LYS 30 2HZ LYS 30 -18.721 -1.699 8.277 359 QB LYS 30 QB LYS 30 -13.999 1.279 7.875 360 QD LYS 30 QD LYS 30 -14.996 -0.819 8.258 361 QG LYS 30 QG LYS 30 -15.978 0.654 6.595 362 QE LYS 30 QE LYS 30 -16.681 -2.191 7.466 363 QZ LYS 30 QZ LYS 30 -18.262 -0.864 8.413 364 H VAL 31 H VAL 31 -15.421 2.865 4.398 365 HA VAL 31 HA VAL 31 -13.459 1.555 2.802 366 HB VAL 31 HB VAL 31 -15.808 3.287 1.941 367 1HG1 VAL 31 1HG1 VAL 31 -14.201 1.280 0.365 368 2HG1 VAL 31 3HG1 VAL 31 -15.640 2.118 -0.212 369 3HG1 VAL 31 2HG1 VAL 31 -14.171 3.031 0.142 370 1HG2 VAL 31 2HG2 VAL 31 -15.541 0.332 2.356 371 2HG2 VAL 31 1HG2 VAL 31 -16.551 1.427 3.269 372 3HG2 VAL 31 3HG2 VAL 31 -16.937 1.089 1.573 373 MG1 VAL 31 QG1 VAL 31 -14.671 2.143 0.098 374 MG2 VAL 31 QG2 VAL 31 -16.343 0.949 2.400 375 QG VAL 31 QQG VAL 31 -15.507 1.546 1.249 376 H ILE 32 H ILE 32 -14.386 4.894 3.365 377 HA ILE 32 HA ILE 32 -12.494 6.096 1.629 378 HB ILE 32 HB ILE 32 -13.699 7.235 4.179 379 1HG1 ILE 32 2HG1 ILE 32 -14.678 7.493 1.321 380 2HG1 ILE 32 1HG1 ILE 32 -15.397 6.438 2.532 381 1HG2 ILE 32 1HG2 ILE 32 -11.745 8.484 3.364 382 2HG2 ILE 32 3HG2 ILE 32 -12.495 8.629 1.778 383 3HG2 ILE 32 2HG2 ILE 32 -13.224 9.430 3.172 384 1HD1 ILE 32 3HD1 ILE 32 -15.252 9.440 2.654 385 2HD1 ILE 32 2HD1 ILE 32 -16.677 8.484 2.247 386 3HD1 ILE 32 1HD1 ILE 32 -15.988 8.395 3.868 387 MG ILE 32 QG2 ILE 32 -12.488 8.848 2.771 388 MD ILE 32 QD1 ILE 32 -15.972 8.773 2.923 389 QG ILE 32 QG1 ILE 32 -15.037 6.966 1.926 390 H SER 33 H SER 33 -12.436 5.044 4.959 391 HA SER 33 HA SER 33 -9.980 6.087 5.733 392 1HB SER 33 2HB SER 33 -11.678 5.120 7.293 393 2HB SER 33 1HB SER 33 -11.278 3.517 6.692 394 HG SER 33 HG SER 33 -9.391 5.271 7.870 395 QB SER 33 QB SER 33 -11.478 4.318 6.993 396 H PHE 34 H PHE 34 -10.766 2.907 4.284 397 HA PHE 34 HA PHE 34 -8.086 2.027 4.180 398 1HB PHE 34 2HB PHE 34 -10.489 1.162 2.602 399 2HB PHE 34 1HB PHE 34 -8.905 0.431 2.376 400 HD1 PHE 34 1HD PHE 34 -7.818 -0.564 4.516 401 HD2 PHE 34 2HD PHE 34 -11.941 0.320 4.109 402 HE1 PHE 34 1HE PHE 34 -8.330 -2.168 6.305 403 HE2 PHE 34 2HE PHE 34 -12.486 -1.243 5.862 404 HZ PHE 34 HZ PHE 34 -10.671 -2.520 7.002 405 QB PHE 34 QB PHE 34 -9.697 0.797 2.489 406 QD PHE 34 QD PHE 34 -9.879 -0.122 4.313 407 QE PHE 34 QE PHE 34 -10.408 -1.705 6.083 408 QR PHE 34 QR PHE 34 -10.249 -1.235 5.559 409 H SER 35 H SER 35 -9.961 4.028 2.013 410 HA SER 35 HA SER 35 -8.275 3.811 -0.213 411 1HB SER 35 2HB SER 35 -10.554 4.861 -0.259 412 2HB SER 35 1HB SER 35 -9.898 6.241 0.617 413 HG SER 35 HG SER 35 -9.520 5.446 -2.033 414 QB SER 35 QB SER 35 -10.226 5.551 0.179 415 H GLN 36 H GLN 36 -8.104 5.806 2.676 416 HA GLN 36 HA GLN 36 -5.886 7.423 1.994 417 1HB GLN 36 2HB GLN 36 -6.614 6.335 4.711 418 2HB GLN 36 1HB GLN 36 -5.584 7.713 4.404 419 1HG GLN 36 2HG GLN 36 -8.531 7.519 3.827 420 2HG GLN 36 1HG GLN 36 -7.786 8.392 5.159 421 1HE2 GLN 36 1HE2 GLN 36 -9.507 9.320 3.095 422 2HE2 GLN 36 2HE2 GLN 36 -8.683 10.562 2.230 423 QB GLN 36 QB GLN 36 -6.099 7.024 4.558 424 QG GLN 36 QG GLN 36 -8.159 7.955 4.493 425 QE GLN 36 QE2 GLN 36 -9.095 9.941 2.663 426 H GLU 37 H GLU 37 -6.191 4.240 3.451 427 HA GLU 37 HA GLU 37 -3.470 3.815 4.055 428 1HB GLU 37 2HB GLU 37 -5.756 1.905 3.611 429 2HB GLU 37 1HB GLU 37 -4.157 1.378 4.107 430 1HG GLU 37 2HG GLU 37 -5.903 3.300 5.629 431 2HG GLU 37 1HG GLU 37 -5.698 1.588 5.996 432 QB GLU 37 QB GLU 37 -4.956 1.641 3.859 433 QG GLU 37 QG GLU 37 -5.801 2.444 5.812 434 H LEU 38 H LEU 38 -5.444 2.913 1.289 435 HA LEU 38 HA LEU 38 -3.378 1.649 -0.130 436 1HB LEU 38 2HB LEU 38 -6.014 2.775 -0.954 437 2HB LEU 38 1HB LEU 38 -4.838 2.419 -2.199 438 HG LEU 38 HG LEU 38 -6.392 0.596 -2.007 439 1HD1 LEU 38 3HD1 LEU 38 -4.092 0.063 -2.561 440 2HD1 LEU 38 2HD1 LEU 38 -3.727 -0.188 -0.856 441 3HD1 LEU 38 1HD1 LEU 38 -4.864 -1.251 -1.672 442 1HD2 LEU 38 1HD2 LEU 38 -7.099 0.904 0.320 443 2HD2 LEU 38 3HD2 LEU 38 -6.601 -0.759 0.016 444 3HD2 LEU 38 2HD2 LEU 38 -5.523 0.345 0.874 445 MD1 LEU 38 QD1 LEU 38 -4.228 -0.459 -1.696 446 MD2 LEU 38 QD2 LEU 38 -6.408 0.163 0.403 447 QB LEU 38 QB LEU 38 -5.426 2.597 -1.577 448 QD LEU 38 QQD LEU 38 -5.318 -0.148 -0.646 449 H ASP 39 H ASP 39 -4.403 4.996 -0.063 450 HA ASP 39 HA ASP 39 -2.723 6.031 -2.059 451 1HB ASP 39 2HB ASP 39 -4.474 7.372 -0.988 452 2HB ASP 39 1HB ASP 39 -3.612 7.300 0.543 453 QB ASP 39 QB ASP 39 -4.043 7.336 -0.222 454 H ARG 40 H ARG 40 -2.168 5.533 1.358 455 HA ARG 40 HA ARG 40 0.473 6.433 1.531 456 1HB ARG 40 2HB ARG 40 -1.036 4.375 3.115 457 2HB ARG 40 1HB ARG 40 0.599 4.870 3.513 458 1HG ARG 40 2HG ARG 40 -0.111 7.124 3.858 459 2HG ARG 40 1HG ARG 40 -1.754 6.725 3.348 460 1HD ARG 40 2HD ARG 40 -2.095 5.345 5.247 461 2HD ARG 40 1HD ARG 40 -0.378 5.387 5.657 462 HE ARG 40 HE ARG 40 -1.183 7.977 5.668 463 1HH1 ARG 40 1HH1 ARG 40 -2.446 5.106 7.339 464 2HH1 ARG 40 2HH1 ARG 40 -2.617 5.888 8.834 465 1HH2 ARG 40 1HH2 ARG 40 -1.525 9.069 7.742 466 2HH2 ARG 40 2HH2 ARG 40 -2.110 8.195 9.065 467 QB ARG 40 QB ARG 40 -0.218 4.622 3.314 468 QG ARG 40 QG ARG 40 -0.932 6.924 3.603 469 QD ARG 40 QD ARG 40 -1.236 5.366 5.452 470 QH1 ARG 40 QH1 ARG 40 -2.532 5.497 8.087 471 QH2 ARG 40 QH2 ARG 40 -1.818 8.632 8.403 472 H LEU 41 H LEU 41 -0.791 3.233 0.812 473 HA LEU 41 HA LEU 41 1.733 1.970 0.592 474 1HB LEU 41 2HB LEU 41 -0.913 1.164 -0.600 475 2HB LEU 41 1HB LEU 41 0.547 0.193 -0.517 476 HG LEU 41 HG LEU 41 -1.001 1.161 1.884 477 1HD1 LEU 41 2HD1 LEU 41 -0.902 -1.550 0.577 478 2HD1 LEU 41 1HD1 LEU 41 -1.645 -1.179 2.135 479 3HD1 LEU 41 3HD1 LEU 41 -2.293 -0.459 0.660 480 1HD2 LEU 41 3HD2 LEU 41 1.312 -0.764 1.639 481 2HD2 LEU 41 2HD2 LEU 41 1.360 0.842 2.367 482 3HD2 LEU 41 1HD2 LEU 41 0.406 -0.434 3.114 483 MD1 LEU 41 QD1 LEU 41 -1.614 -1.063 1.124 484 MD2 LEU 41 QD2 LEU 41 1.026 -0.119 2.374 485 QB LEU 41 QB LEU 41 -0.183 0.679 -0.559 486 QD LEU 41 QQD LEU 41 -0.294 -0.591 1.749 487 H LEU 42 H LEU 42 -0.406 3.436 -1.780 488 HA LEU 42 HA LEU 42 1.079 2.858 -4.092 489 1HB LEU 42 2HB LEU 42 -0.573 5.298 -3.467 490 2HB LEU 42 1HB LEU 42 0.005 4.877 -5.066 491 HG LEU 42 HG LEU 42 -1.900 3.217 -3.419 492 1HD1 LEU 42 1HD1 LEU 42 -2.879 5.319 -4.127 493 2HD1 LEU 42 3HD1 LEU 42 -2.408 4.977 -5.792 494 3HD1 LEU 42 2HD1 LEU 42 -3.590 3.946 -4.983 495 1HD2 LEU 42 3HD2 LEU 42 -0.969 2.938 -6.274 496 2HD2 LEU 42 2HD2 LEU 42 -0.569 1.869 -4.930 497 3HD2 LEU 42 1HD2 LEU 42 -2.232 1.970 -5.506 498 MD1 LEU 42 QD1 LEU 42 -2.959 4.747 -4.967 499 MD2 LEU 42 QD2 LEU 42 -1.257 2.259 -5.570 500 QB LEU 42 QB LEU 42 -0.284 5.088 -4.266 501 QD LEU 42 QQD LEU 42 -2.108 3.503 -5.269 502 H ASN 43 H ASN 43 1.426 5.358 -1.726 503 HA ASN 43 HA ASN 43 3.527 6.730 -3.054 504 1HB ASN 43 2HB ASN 43 2.499 6.852 -0.251 505 2HB ASN 43 1HB ASN 43 4.047 7.595 -0.638 506 1HD2 ASN 43 1HD2 ASN 43 0.596 7.707 -1.182 507 2HD2 ASN 43 2HD2 ASN 43 0.590 9.263 -1.900 508 QB ASN 43 QB ASN 43 3.273 7.223 -0.444 509 QD ASN 43 QD2 ASN 43 0.593 8.485 -1.541 510 H LEU 44 H LEU 44 3.494 3.825 -1.332 511 HA LEU 44 HA LEU 44 6.295 3.824 -0.726 512 1HB LEU 44 2HB LEU 44 4.337 1.535 -0.963 513 2HB LEU 44 1HB LEU 44 5.978 1.392 -0.355 514 HG LEU 44 HG LEU 44 3.767 2.990 0.943 515 1HD1 LEU 44 1HD1 LEU 44 3.416 0.570 1.086 516 2HD1 LEU 44 3HD1 LEU 44 5.037 0.381 1.753 517 3HD1 LEU 44 2HD1 LEU 44 3.813 1.273 2.654 518 1HD2 LEU 44 2HD2 LEU 44 6.576 2.378 1.823 519 2HD2 LEU 44 1HD2 LEU 44 5.940 3.961 1.376 520 3HD2 LEU 44 3HD2 LEU 44 5.334 3.139 2.817 521 MD1 LEU 44 QD1 LEU 44 4.089 0.741 1.831 522 MD2 LEU 44 QD2 LEU 44 5.950 3.159 2.006 523 QB LEU 44 QB LEU 44 5.157 1.464 -0.659 524 QD LEU 44 QQD LEU 44 5.019 1.950 1.918 525 H LEU 45 H LEU 45 4.223 2.578 -3.298 526 HA LEU 45 HA LEU 45 6.247 1.459 -4.904 527 1HB LEU 45 2HB LEU 45 3.641 2.737 -5.741 528 2HB LEU 45 1HB LEU 45 4.678 1.823 -6.815 529 HG LEU 45 HG LEU 45 3.230 0.723 -4.403 530 1HD1 LEU 45 1HD1 LEU 45 2.741 0.353 -7.353 531 2HD1 LEU 45 3HD1 LEU 45 1.888 -0.481 -6.055 532 3HD1 LEU 45 2HD1 LEU 45 1.726 1.267 -6.238 533 1HD2 LEU 45 3HD2 LEU 45 4.945 -0.659 -6.476 534 2HD2 LEU 45 2HD2 LEU 45 5.329 -0.460 -4.766 535 3HD2 LEU 45 1HD2 LEU 45 3.972 -1.471 -5.250 536 MD1 LEU 45 QD1 LEU 45 2.119 0.380 -6.549 537 MD2 LEU 45 QD2 LEU 45 4.749 -0.864 -5.497 538 QB LEU 45 QB LEU 45 4.159 2.280 -6.278 539 QD LEU 45 QQD LEU 45 3.434 -0.242 -6.023 540 H ILE 46 H ILE 46 4.964 4.728 -4.680 541 HA ILE 46 HA ILE 46 6.370 5.951 -6.737 542 HB ILE 46 HB ILE 46 5.459 7.035 -4.067 543 1HG1 ILE 46 2HG1 ILE 46 4.313 7.269 -6.854 544 2HG1 ILE 46 1HG1 ILE 46 3.704 6.238 -5.572 545 1HG2 ILE 46 2HG2 ILE 46 6.517 8.610 -6.415 546 2HG2 ILE 46 1HG2 ILE 46 5.742 9.299 -4.986 547 3HG2 ILE 46 3HG2 ILE 46 7.269 8.431 -4.828 548 1HD1 ILE 46 2HD1 ILE 46 3.147 8.224 -4.256 549 2HD1 ILE 46 1HD1 ILE 46 3.763 9.240 -5.559 550 3HD1 ILE 46 3HD1 ILE 46 2.350 8.220 -5.830 551 MG ILE 46 QG2 ILE 46 6.509 8.780 -5.410 552 MD ILE 46 QD1 ILE 46 3.087 8.562 -5.215 553 QG ILE 46 QG1 ILE 46 4.009 6.753 -6.213 554 H GLU 47 H GLU 47 7.358 5.214 -3.462 555 HA GLU 47 HA GLU 47 9.823 6.511 -3.367 556 1HB GLU 47 2HB GLU 47 8.718 4.076 -2.058 557 2HB GLU 47 1HB GLU 47 10.400 4.521 -1.800 558 1HG GLU 47 2HG GLU 47 8.073 6.341 -1.265 559 2HG GLU 47 1HG GLU 47 8.790 5.285 -0.045 560 QB GLU 47 QB GLU 47 9.559 4.299 -1.929 561 QG GLU 47 QG GLU 47 8.432 5.813 -0.655 562 H LEU 48 H LEU 48 8.988 3.446 -4.914 563 HA LEU 48 HA LEU 48 11.752 2.833 -5.407 564 1HB LEU 48 2HB LEU 48 9.274 1.593 -6.621 565 2HB LEU 48 1HB LEU 48 10.916 1.099 -6.970 566 HG LEU 48 HG LEU 48 10.115 -0.500 -5.512 567 1HD1 LEU 48 3HD1 LEU 48 12.318 0.160 -4.943 568 2HD1 LEU 48 2HD1 LEU 48 11.711 1.397 -3.838 569 3HD1 LEU 48 1HD1 LEU 48 11.433 -0.307 -3.493 570 1HD2 LEU 48 2HD2 LEU 48 9.063 1.682 -3.728 571 2HD2 LEU 48 1HD2 LEU 48 8.117 0.581 -4.728 572 3HD2 LEU 48 3HD2 LEU 48 9.036 -0.047 -3.362 573 MD1 LEU 48 QD1 LEU 48 11.820 0.417 -4.092 574 MD2 LEU 48 QD2 LEU 48 8.738 0.739 -3.939 575 QB LEU 48 QB LEU 48 10.095 1.346 -6.796 576 QD LEU 48 QQD LEU 48 10.279 0.578 -4.015 577 H LYS 49 H LYS 49 9.259 4.538 -7.030 578 HA LYS 49 HA LYS 49 10.443 4.610 -9.625 579 1HB LYS 49 2HB LYS 49 8.543 6.591 -8.349 580 2HB LYS 49 1HB LYS 49 8.923 6.496 -10.053 581 1HG LYS 49 2HG LYS 49 7.876 4.240 -10.095 582 2HG LYS 49 1HG LYS 49 7.404 4.485 -8.409 583 1HD LYS 49 2HD LYS 49 6.178 6.512 -9.062 584 2HD LYS 49 1HD LYS 49 6.619 6.237 -10.743 585 1HE LYS 49 2HE LYS 49 5.428 4.043 -10.610 586 2HE LYS 49 1HE LYS 49 4.904 4.490 -8.993 587 1HZ LYS 49 1HZ LYS 49 4.254 6.002 -11.474 588 2HZ LYS 49 3HZ LYS 49 3.221 4.965 -10.654 589 3HZ LYS 49 2HZ LYS 49 3.715 6.393 -9.927 590 QB LYS 49 QB LYS 49 8.733 6.543 -9.201 591 QD LYS 49 QD LYS 49 6.399 6.375 -9.902 592 QG LYS 49 QG LYS 49 7.640 4.363 -9.252 593 QE LYS 49 QE LYS 49 5.166 4.266 -9.802 594 QZ LYS 49 QZ LYS 49 3.730 5.786 -10.685 595 H THR 50 H THR 50 10.351 6.801 -6.869 596 HA THR 50 HA THR 50 11.794 8.871 -8.065 597 HB THR 50 HB THR 50 11.790 9.731 -5.656 598 HG1 THR 50 1HG THR 50 10.099 8.309 -4.541 599 1HG2 THR 50 3HG2 THR 50 9.231 8.730 -6.883 600 2HG2 THR 50 2HG2 THR 50 9.337 10.019 -5.680 601 3HG2 THR 50 1HG2 THR 50 10.019 10.247 -7.299 602 MG THR 50 QG2 THR 50 9.529 9.665 -6.620 603 H LYS 51 H LYS 51 12.772 6.041 -6.431 604 HA LYS 51 HA LYS 51 15.372 6.990 -5.774 605 1HB LYS 51 2HB LYS 51 14.245 4.211 -5.773 606 2HB LYS 51 1HB LYS 51 15.953 4.512 -5.454 607 1HG LYS 51 2HG LYS 51 15.409 5.931 -3.603 608 2HG LYS 51 1HG LYS 51 13.695 5.779 -3.975 609 1HD LYS 51 2HD LYS 51 13.809 3.384 -3.478 610 2HD LYS 51 1HD LYS 51 15.519 3.568 -3.052 611 1HE LYS 51 2HE LYS 51 13.936 3.617 -1.095 612 2HE LYS 51 1HE LYS 51 14.993 5.028 -1.240 613 1HZ LYS 51 1HZ LYS 51 12.222 4.942 -2.279 614 2HZ LYS 51 3HZ LYS 51 12.590 5.612 -0.780 615 3HZ LYS 51 2HZ LYS 51 13.215 6.292 -2.173 616 QB LYS 51 QB LYS 51 15.099 4.361 -5.614 617 QD LYS 51 QD LYS 51 14.664 3.476 -3.265 618 QG LYS 51 QG LYS 51 14.552 5.855 -3.789 619 QE LYS 51 QE LYS 51 14.465 4.323 -1.167 620 QZ LYS 51 QZ LYS 51 12.676 5.616 -1.744 621 H LYS 52 H LYS 52 14.003 5.989 -8.629 622 HA LYS 52 HA LYS 52 14.686 5.711 -10.744 623 1HB LYS 52 2HB LYS 52 16.332 7.207 -11.596 624 2HB LYS 52 1HB LYS 52 15.454 8.034 -10.320 625 1HG LYS 52 2HG LYS 52 17.363 7.661 -8.805 626 2HG LYS 52 1HG LYS 52 18.236 6.858 -10.106 627 1HD LYS 52 2HD LYS 52 17.319 9.738 -10.051 628 2HD LYS 52 1HD LYS 52 18.978 9.167 -9.882 629 1HE LYS 52 2HE LYS 52 18.887 8.257 -12.165 630 2HE LYS 52 1HE LYS 52 17.236 8.840 -12.335 631 1HZ LYS 52 2HZ LYS 52 18.096 11.109 -11.992 632 2HZ LYS 52 1HZ LYS 52 19.649 10.504 -11.950 633 3HZ LYS 52 3HZ LYS 52 18.750 10.365 -13.373 634 QB LYS 52 QB LYS 52 15.893 7.621 -10.958 635 QD LYS 52 QD LYS 52 18.148 9.453 -9.967 636 QG LYS 52 QG LYS 52 17.799 7.259 -9.455 637 QE LYS 52 QE LYS 52 18.062 8.549 -12.250 638 QZ LYS 52 QZ LYS 52 18.831 10.659 -12.438 639 H LYS 53 H LYS 53 16.011 3.903 -8.646 640 HA LYS 53 HA LYS 53 18.320 3.013 -10.174 641 1HB LYS 53 2HB LYS 53 18.775 1.560 -8.205 642 2HB LYS 53 1HB LYS 53 18.729 3.285 -7.860 643 1HG LYS 53 2HG LYS 53 16.428 3.014 -6.987 644 2HG LYS 53 1HG LYS 53 16.570 1.275 -7.250 645 1HD LYS 53 2HD LYS 53 18.419 2.891 -5.497 646 2HD LYS 53 1HD LYS 53 17.033 1.987 -4.895 647 1HE LYS 53 2HE LYS 53 18.007 -0.082 -5.689 648 2HE LYS 53 1HE LYS 53 19.361 0.791 -6.400 649 1HZ LYS 53 1HZ LYS 53 18.724 0.722 -3.498 650 2HZ LYS 53 3HZ LYS 53 19.939 -0.171 -4.243 651 3HZ LYS 53 2HZ LYS 53 20.001 1.518 -4.194 652 QB LYS 53 QB LYS 53 18.752 2.423 -8.033 653 QD LYS 53 QD LYS 53 17.726 2.439 -5.196 654 QG LYS 53 QG LYS 53 16.499 2.145 -7.119 655 QE LYS 53 QE LYS 53 18.684 0.354 -6.045 656 QZ LYS 53 QZ LYS 53 19.555 0.690 -3.978 657 H ARG 54 H ARG 54 15.276 2.513 -10.498 658 HA ARG 54 HA ARG 54 15.381 -0.379 -10.950 659 1HB ARG 54 2HB ARG 54 13.123 1.589 -11.387 660 2HB ARG 54 1HB ARG 54 13.009 -0.130 -11.681 661 1HG ARG 54 2HG ARG 54 13.451 -0.487 -9.239 662 2HG ARG 54 1HG ARG 54 13.334 1.260 -9.035 663 1HD ARG 54 2HD ARG 54 11.197 -0.512 -10.205 664 2HD ARG 54 1HD ARG 54 11.166 0.134 -8.574 665 HE ARG 54 HE ARG 54 11.377 2.361 -10.000 666 1HH1 ARG 54 1HH1 ARG 54 9.110 -0.379 -10.272 667 2HH1 ARG 54 2HH1 ARG 54 7.967 0.460 -11.179 668 1HH2 ARG 54 1HH2 ARG 54 9.709 3.563 -11.331 669 2HH2 ARG 54 2HH2 ARG 54 8.323 2.743 -11.807 670 QB ARG 54 QB ARG 54 13.066 0.729 -11.534 671 QG ARG 54 QG ARG 54 13.393 0.386 -9.137 672 QD ARG 54 QD ARG 54 11.182 -0.189 -9.389 673 QH1 ARG 54 QH1 ARG 54 8.538 0.040 -10.725 674 QH2 ARG 54 QH2 ARG 54 9.016 3.153 -11.569 675 H TYR 55 H TYR 55 14.446 -1.048 -13.171 676 HA TYR 55 HA TYR 55 15.999 0.235 -15.219 677 1HB TYR 55 2HB TYR 55 14.084 -2.098 -15.282 678 2HB TYR 55 1HB TYR 55 14.886 -1.481 -16.720 679 HD1 TYR 55 1HD TYR 55 17.172 -1.936 -17.137 680 HD2 TYR 55 2HD TYR 55 15.401 -3.184 -13.490 681 HE1 TYR 55 1HE TYR 55 19.117 -3.352 -16.688 682 HE2 TYR 55 2HE TYR 55 17.356 -4.619 -13.027 683 HH TYR 55 HH TYR 55 19.152 -5.726 -14.293 684 QB TYR 55 QB TYR 55 14.485 -1.789 -16.001 685 QD TYR 55 QD TYR 55 16.287 -2.560 -15.314 686 QE TYR 55 QE TYR 55 18.237 -3.985 -14.858 687 QR TYR 55 QR TYR 55 17.262 -3.272 -15.086 688 H SER 56 H SER 56 13.301 1.199 -13.896 689 HA SER 56 HA SER 56 11.450 1.556 -15.929 690 1HB SER 56 2HB SER 56 10.894 1.694 -13.545 691 2HB SER 56 1HB SER 56 11.809 3.191 -13.413 692 HG SER 56 HG SER 56 9.616 2.853 -15.163 693 QB SER 56 QB SER 56 11.351 2.442 -13.479 694 H LEU 57 H LEU 57 14.338 3.392 -15.310 695 HA LEU 57 HA LEU 57 13.383 5.537 -17.067 696 1HB LEU 57 2HB LEU 57 15.952 5.320 -15.509 697 2HB LEU 57 1HB LEU 57 15.492 6.685 -16.499 698 HG LEU 57 HG LEU 57 14.158 5.775 -13.954 699 1HD1 LEU 57 2HD1 LEU 57 16.279 6.895 -13.655 700 2HD1 LEU 57 1HD1 LEU 57 15.726 8.237 -14.652 701 3HD1 LEU 57 3HD1 LEU 57 14.940 7.918 -13.106 702 1HD2 LEU 57 2HD2 LEU 57 13.444 8.070 -15.792 703 2HD2 LEU 57 1HD2 LEU 57 12.469 6.633 -15.500 704 3HD2 LEU 57 3HD2 LEU 57 12.748 7.788 -14.197 705 MD1 LEU 57 QD1 LEU 57 15.648 7.683 -13.805 706 MD2 LEU 57 QD2 LEU 57 12.887 7.497 -15.163 707 QB LEU 57 QB LEU 57 15.722 6.003 -16.004 708 QD LEU 57 QQD LEU 57 14.268 7.590 -14.484 709 H LEU 58 H LEU 58 14.901 2.646 -17.272 710 HA LEU 58 HA LEU 58 16.605 3.377 -19.535 711 1HB LEU 58 2HB LEU 58 16.252 0.728 -18.109 712 2HB LEU 58 1HB LEU 58 17.468 1.098 -19.319 713 HG LEU 58 HG LEU 58 17.307 2.318 -16.559 714 1HD1 LEU 58 2HD1 LEU 58 19.186 0.280 -17.713 715 2HD1 LEU 58 1HD1 LEU 58 19.361 1.054 -16.136 716 3HD1 LEU 58 3HD1 LEU 58 17.978 0.012 -16.460 717 1HD2 LEU 58 2HD2 LEU 58 19.376 2.648 -18.732 718 2HD2 LEU 58 1HD2 LEU 58 18.248 3.885 -18.171 719 3HD2 LEU 58 3HD2 LEU 58 19.502 3.276 -17.091 720 MD1 LEU 58 QD1 LEU 58 18.842 0.449 -16.770 721 MD2 LEU 58 QD2 LEU 58 19.042 3.270 -17.998 722 QB LEU 58 QB LEU 58 16.860 0.913 -18.714 723 QD LEU 58 QQD LEU 58 18.942 1.859 -17.384 724 H GLU 59 H GLU 59 14.070 1.153 -18.533 725 HA GLU 59 HA GLU 59 13.140 0.906 -21.265 726 1HB GLU 59 2HB GLU 59 12.305 -0.507 -18.736 727 2HB GLU 59 1HB GLU 59 11.658 -0.814 -20.342 728 1HG GLU 59 2HG GLU 59 14.476 -1.241 -19.440 729 2HG GLU 59 1HG GLU 59 13.231 -2.462 -19.722 730 QB GLU 59 QB GLU 59 11.982 -0.660 -19.539 731 QG GLU 59 QG GLU 59 13.854 -1.852 -19.581 732 H HIS 60 H HIS 60 12.043 2.625 -21.661 733 HA HIS 60 HA HIS 60 10.763 4.180 -19.666 734 1HB HIS 60 2HB HIS 60 11.696 5.086 -21.835 735 2HB HIS 60 1HB HIS 60 10.302 4.394 -22.658 736 HD1 HIS 60 1HD HIS 60 9.212 6.631 -23.352 737 HD2 HIS 60 2HD HIS 60 10.056 6.388 -19.287 738 HE1 HIS 60 1HE HIS 60 8.161 8.656 -22.295 739 QB HIS 60 QB HIS 60 10.999 4.740 -22.246 740 H HIS 61 H HIS 61 9.006 3.891 -18.773 741 HA HIS 61 HA HIS 61 7.458 1.783 -18.558 742 1HB HIS 61 2HB HIS 61 7.370 3.762 -17.128 743 2HB HIS 61 1HB HIS 61 6.471 4.618 -18.367 744 HD1 HIS 61 1HD HIS 61 3.951 4.441 -18.210 745 HD2 HIS 61 2HD HIS 61 5.920 1.499 -16.036 746 HE1 HIS 61 1HE HIS 61 2.195 3.270 -16.883 747 QB HIS 61 QB HIS 61 6.920 4.190 -17.747 748 H HIS 62 H HIS 62 6.103 0.645 -19.619 749 HA HIS 62 HA HIS 62 5.350 1.043 -22.238 750 1HB HIS 62 2HB HIS 62 3.752 -0.834 -21.953 751 2HB HIS 62 1HB HIS 62 5.306 -1.198 -21.223 752 HD1 HIS 62 1HD HIS 62 5.337 -1.226 -18.533 753 HD2 HIS 62 2HD HIS 62 1.592 -0.945 -20.309 754 HE1 HIS 62 1HE HIS 62 3.669 -1.699 -16.717 755 QB HIS 62 QB HIS 62 4.529 -1.016 -21.588 756 H HIS 63 H HIS 63 4.109 2.354 -23.154 757 HA HIS 63 HA HIS 63 2.446 4.093 -21.680 758 1HB HIS 63 2HB HIS 63 2.778 3.826 -24.670 759 2HB HIS 63 1HB HIS 63 2.018 5.178 -23.830 760 HD1 HIS 63 1HD HIS 63 5.207 4.077 -25.110 761 HD2 HIS 63 2HD HIS 63 3.914 6.512 -22.018 762 HE1 HIS 63 1HE HIS 63 7.220 5.427 -24.400 763 QB HIS 63 QB HIS 63 2.398 4.502 -24.250 764 H HIS 64 H HIS 64 0.488 3.888 -21.210 765 HA HIS 64 HA HIS 64 -1.386 2.375 -22.792 766 1HB HIS 64 2HB HIS 64 -0.413 0.712 -21.178 767 2HB HIS 64 1HB HIS 64 -0.825 1.797 -19.864 768 HD1 HIS 64 1HD HIS 64 -2.563 -0.408 -22.452 769 HD2 HIS 64 2HD HIS 64 -3.292 1.502 -18.830 770 HE1 HIS 64 1HE HIS 64 -4.802 -1.216 -21.674 771 QB HIS 64 QB HIS 64 -0.619 1.255 -20.521 No H/Q in entry = 771 Start of MODEL 24 1 H1 MET 1 1HT MET 1 12.160 -5.407 3.776 2 H2 MET 1 3HT MET 1 11.108 -4.100 3.724 3 H3 MET 1 2HT MET 1 11.058 -5.219 5.014 4 HA MET 1 HA MET 1 10.376 -6.941 3.511 5 1HB MET 1 2HB MET 1 8.725 -4.412 3.302 6 2HB MET 1 1HB MET 1 8.166 -5.992 2.787 7 1HG MET 1 2HG MET 1 8.959 -5.253 5.594 8 2HG MET 1 1HG MET 1 7.307 -5.364 4.986 9 1HE MET 1 3HE MET 1 8.323 -6.903 7.576 10 2HE MET 1 2HE MET 1 6.676 -7.022 6.957 11 3HE MET 1 1HE MET 1 7.586 -8.487 7.326 12 QB MET 1 QB MET 1 8.445 -5.202 3.045 13 QG MET 1 QG MET 1 8.133 -5.309 5.290 14 ME MET 1 QE MET 1 7.528 -7.471 7.286 15 H ASN 2 H ASN 2 9.952 -7.621 1.437 16 HA ASN 2 HA ASN 2 11.398 -6.268 -0.622 17 1HB ASN 2 2HB ASN 2 9.759 -8.792 -0.556 18 2HB ASN 2 1HB ASN 2 10.383 -8.158 -2.068 19 1HD2 ASN 2 1HD2 ASN 2 12.924 -7.250 -1.022 20 2HD2 ASN 2 2HD2 ASN 2 13.821 -8.672 -0.647 21 QB ASN 2 QB ASN 2 10.071 -8.475 -1.312 22 QD ASN 2 QD2 ASN 2 13.373 -7.961 -0.835 23 H VAL 3 H VAL 3 10.593 -5.264 -2.425 24 HA VAL 3 HA VAL 3 8.210 -3.846 -1.967 25 HB VAL 3 HB VAL 3 8.536 -2.788 -4.182 26 1HG1 VAL 3 3HG1 VAL 3 9.647 -1.896 -2.219 27 2HG1 VAL 3 2HG1 VAL 3 11.023 -2.959 -2.502 28 3HG1 VAL 3 1HG1 VAL 3 10.644 -1.682 -3.659 29 1HG2 VAL 3 3HG2 VAL 3 9.458 -4.705 -5.403 30 2HG2 VAL 3 2HG2 VAL 3 10.531 -3.310 -5.518 31 3HG2 VAL 3 1HG2 VAL 3 10.916 -4.636 -4.416 32 MG1 VAL 3 QG1 VAL 3 10.438 -2.179 -2.794 33 MG2 VAL 3 QG2 VAL 3 10.302 -4.217 -5.113 34 QG VAL 3 QQG VAL 3 10.370 -3.198 -3.953 35 H THR 4 H THR 4 8.819 -6.724 -3.811 36 HA THR 4 HA THR 4 6.431 -6.635 -5.295 37 HB THR 4 HB THR 4 8.345 -8.181 -5.839 38 HG1 THR 4 1HG THR 4 6.290 -8.562 -6.702 39 1HG2 THR 4 1HG2 THR 4 8.815 -8.987 -3.552 40 2HG2 THR 4 3HG2 THR 4 7.266 -9.824 -3.539 41 3HG2 THR 4 2HG2 THR 4 8.528 -10.333 -4.661 42 MG THR 4 QG2 THR 4 8.203 -9.715 -3.918 43 H LYS 5 H LYS 5 7.121 -7.574 -2.022 44 HA LYS 5 HA LYS 5 4.581 -8.855 -1.589 45 1HB LYS 5 2HB LYS 5 6.718 -7.981 0.369 46 2HB LYS 5 1HB LYS 5 5.299 -8.929 0.792 47 1HG LYS 5 2HG LYS 5 7.488 -9.794 -1.100 48 2HG LYS 5 1HG LYS 5 7.287 -10.333 0.569 49 1HD LYS 5 2HD LYS 5 5.132 -11.315 0.018 50 2HD LYS 5 1HD LYS 5 5.265 -10.736 -1.642 51 1HE LYS 5 2HE LYS 5 5.817 -13.079 -1.545 52 2HE LYS 5 1HE LYS 5 7.247 -12.138 -1.951 53 1HZ LYS 5 2HZ LYS 5 6.631 -13.164 0.776 54 2HZ LYS 5 1HZ LYS 5 7.691 -13.884 -0.323 55 3HZ LYS 5 3HZ LYS 5 8.027 -12.367 0.298 56 QB LYS 5 QB LYS 5 6.009 -8.455 0.581 57 QD LYS 5 QD LYS 5 5.199 -11.026 -0.812 58 QG LYS 5 QG LYS 5 7.387 -10.063 -0.265 59 QE LYS 5 QE LYS 5 6.532 -12.609 -1.748 60 QZ LYS 5 QZ LYS 5 7.450 -13.138 0.250 61 H LEU 6 H LEU 6 6.027 -5.742 -1.081 62 HA LEU 6 HA LEU 6 3.875 -4.639 0.395 63 1HB LEU 6 2HB LEU 6 6.211 -3.693 0.269 64 2HB LEU 6 1HB LEU 6 5.849 -3.234 -1.383 65 HG LEU 6 HG LEU 6 4.197 -1.617 -0.641 66 1HD1 LEU 6 1HD1 LEU 6 4.860 -2.547 2.149 67 2HD1 LEU 6 3HD1 LEU 6 3.838 -1.172 1.735 68 3HD1 LEU 6 2HD1 LEU 6 3.327 -2.801 1.308 69 1HD2 LEU 6 2HD2 LEU 6 6.531 -0.912 -0.752 70 2HD2 LEU 6 1HD2 LEU 6 5.666 -0.079 0.540 71 3HD2 LEU 6 3HD2 LEU 6 6.765 -1.403 0.925 72 MD1 LEU 6 QD1 LEU 6 4.008 -2.173 1.731 73 MD2 LEU 6 QD2 LEU 6 6.321 -0.798 0.238 74 QB LEU 6 QB LEU 6 6.030 -3.463 -0.557 75 QD LEU 6 QQD LEU 6 5.164 -1.486 0.984 76 H ASN 7 H ASN 7 4.726 -4.783 -3.014 77 HA ASN 7 HA ASN 7 2.568 -3.297 -3.993 78 1HB ASN 7 2HB ASN 7 4.575 -3.832 -5.342 79 2HB ASN 7 1HB ASN 7 4.088 -5.519 -5.385 80 1HD2 ASN 7 1HD2 ASN 7 1.909 -2.724 -5.753 81 2HD2 ASN 7 2HD2 ASN 7 1.500 -3.074 -7.379 82 QB ASN 7 QB ASN 7 4.331 -4.675 -5.363 83 QD ASN 7 QD2 ASN 7 1.705 -2.899 -6.566 84 H ASP 8 H ASP 8 2.976 -6.724 -3.294 85 HA ASP 8 HA ASP 8 0.544 -7.731 -4.250 86 1HB ASP 8 2HB ASP 8 2.328 -9.201 -3.467 87 2HB ASP 8 1HB ASP 8 2.161 -8.573 -1.833 88 QB ASP 8 QB ASP 8 2.244 -8.887 -2.650 89 H ARG 9 H ARG 9 1.382 -6.224 -1.209 90 HA ARG 9 HA ARG 9 -1.128 -6.462 0.044 91 1HB ARG 9 2HB ARG 9 1.045 -4.408 0.423 92 2HB ARG 9 1HB ARG 9 -0.354 -4.565 1.475 93 1HG ARG 9 2HG ARG 9 0.342 -6.787 2.124 94 2HG ARG 9 1HG ARG 9 1.692 -6.718 0.991 95 1HD ARG 9 2HD ARG 9 2.396 -6.251 3.301 96 2HD ARG 9 1HD ARG 9 2.678 -4.882 2.229 97 HE ARG 9 HE ARG 9 0.161 -4.772 3.581 98 1HH1 ARG 9 1HH1 ARG 9 3.629 -4.021 3.954 99 2HH1 ARG 9 2HH1 ARG 9 3.365 -2.790 5.067 100 1HH2 ARG 9 1HH2 ARG 9 -0.161 -3.037 5.138 101 2HH2 ARG 9 2HH2 ARG 9 1.190 -2.209 5.749 102 QB ARG 9 QB ARG 9 0.345 -4.487 0.949 103 QG ARG 9 QG ARG 9 1.017 -6.753 1.557 104 QD ARG 9 QD ARG 9 2.537 -5.566 2.765 105 QH1 ARG 9 QH1 ARG 9 3.497 -3.405 4.511 106 QH2 ARG 9 QH2 ARG 9 0.515 -2.623 5.444 107 H ILE 10 H ILE 10 0.223 -3.994 -2.075 108 HA ILE 10 HA ILE 10 -1.903 -2.137 -2.007 109 HB ILE 10 HB ILE 10 -0.040 -2.827 -4.305 110 1HG1 ILE 10 2HG1 ILE 10 0.121 -0.608 -2.272 111 2HG1 ILE 10 1HG1 ILE 10 1.113 -2.066 -2.259 112 1HG2 ILE 10 2HG2 ILE 10 -2.001 -1.655 -5.145 113 2HG2 ILE 10 1HG2 ILE 10 -1.767 -0.375 -3.954 114 3HG2 ILE 10 3HG2 ILE 10 -0.577 -0.619 -5.234 115 1HD1 ILE 10 2HD1 ILE 10 1.103 0.058 -4.390 116 2HD1 ILE 10 1HD1 ILE 10 2.320 -0.161 -3.130 117 3HD1 ILE 10 3HD1 ILE 10 2.115 -1.387 -4.377 118 MG ILE 10 QG2 ILE 10 -1.448 -0.883 -4.778 119 MD ILE 10 QD1 ILE 10 1.846 -0.497 -3.966 120 QG ILE 10 QG1 ILE 10 0.617 -1.337 -2.265 121 H GLU 11 H GLU 11 -1.279 -4.905 -4.059 122 HA GLU 11 HA GLU 11 -3.552 -4.789 -5.715 123 1HB GLU 11 2HB GLU 11 -1.507 -6.163 -6.084 124 2HB GLU 11 1HB GLU 11 -1.989 -7.184 -4.749 125 1HG GLU 11 2HG GLU 11 -4.004 -7.829 -5.974 126 2HG GLU 11 1HG GLU 11 -3.472 -6.847 -7.339 127 QB GLU 11 QB GLU 11 -1.748 -6.673 -5.416 128 QG GLU 11 QG GLU 11 -3.738 -7.338 -6.657 129 H ALA 12 H ALA 12 -2.939 -6.345 -2.631 130 HA ALA 12 HA ALA 12 -5.421 -7.610 -2.329 131 1HB ALA 12 3HB ALA 12 -3.440 -8.178 -1.034 132 2HB ALA 12 1HB ALA 12 -4.809 -7.806 0.021 133 3HB ALA 12 2HB ALA 12 -3.521 -6.617 -0.219 134 MB ALA 12 QB ALA 12 -3.923 -7.534 -0.410 135 H LYS 13 H LYS 13 -4.417 -4.295 -1.854 136 HA LYS 13 HA LYS 13 -6.711 -3.578 -0.280 137 1HB LYS 13 2HB LYS 13 -4.743 -1.840 -1.775 138 2HB LYS 13 1HB LYS 13 -5.965 -1.234 -0.658 139 1HG LYS 13 2HG LYS 13 -3.587 -2.964 -0.027 140 2HG LYS 13 1HG LYS 13 -3.787 -1.259 0.361 141 1HD LYS 13 2HD LYS 13 -5.607 -1.784 1.867 142 2HD LYS 13 1HD LYS 13 -5.528 -3.487 1.408 143 1HE LYS 13 2HE LYS 13 -3.253 -3.619 2.271 144 2HE LYS 13 1HE LYS 13 -3.332 -1.923 2.737 145 1HZ LYS 13 1HZ LYS 13 -5.113 -4.048 3.776 146 2HZ LYS 13 3HZ LYS 13 -3.784 -3.415 4.598 147 3HZ LYS 13 2HZ LYS 13 -5.090 -2.413 4.253 148 QB LYS 13 QB LYS 13 -5.354 -1.537 -1.217 149 QD LYS 13 QD LYS 13 -5.567 -2.635 1.637 150 QG LYS 13 QG LYS 13 -3.687 -2.112 0.167 151 QE LYS 13 QE LYS 13 -3.292 -2.771 2.504 152 QZ LYS 13 QZ LYS 13 -4.663 -3.292 4.209 153 H LYS 14 H LYS 14 -5.742 -3.581 -3.618 154 HA LYS 14 HA LYS 14 -7.827 -2.154 -4.842 155 1HB LYS 14 2HB LYS 14 -6.571 -4.735 -5.821 156 2HB LYS 14 1HB LYS 14 -7.440 -3.579 -6.803 157 1HG LYS 14 2HG LYS 14 -4.828 -3.036 -5.410 158 2HG LYS 14 1HG LYS 14 -4.994 -3.519 -7.102 159 1HD LYS 14 2HD LYS 14 -6.465 -1.510 -7.395 160 2HD LYS 14 1HD LYS 14 -5.973 -1.095 -5.733 161 1HE LYS 14 2HE LYS 14 -3.715 -0.806 -6.347 162 2HE LYS 14 1HE LYS 14 -3.960 -1.572 -7.909 163 1HZ LYS 14 2HZ LYS 14 -5.232 1.032 -7.189 164 2HZ LYS 14 1HZ LYS 14 -3.775 0.860 -8.043 165 3HZ LYS 14 3HZ LYS 14 -5.184 0.263 -8.671 166 QB LYS 14 QB LYS 14 -7.006 -4.157 -6.312 167 QD LYS 14 QD LYS 14 -6.219 -1.303 -6.564 168 QG LYS 14 QG LYS 14 -4.911 -3.278 -6.256 169 QE LYS 14 QE LYS 14 -3.838 -1.189 -7.128 170 QZ LYS 14 QZ LYS 14 -4.730 0.718 -7.968 171 H LYS 15 H LYS 15 -7.486 -5.558 -4.149 172 HA LYS 15 HA LYS 15 -10.018 -6.410 -5.007 173 1HB LYS 15 2HB LYS 15 -8.091 -7.678 -3.076 174 2HB LYS 15 1HB LYS 15 -9.459 -8.493 -3.806 175 1HG LYS 15 2HG LYS 15 -7.101 -7.343 -5.297 176 2HG LYS 15 1HG LYS 15 -7.335 -9.045 -4.909 177 1HD LYS 15 2HD LYS 15 -9.176 -7.383 -6.645 178 2HD LYS 15 1HD LYS 15 -7.960 -8.509 -7.232 179 1HE LYS 15 2HE LYS 15 -9.094 -10.351 -6.114 180 2HE LYS 15 1HE LYS 15 -10.297 -9.239 -5.472 181 1HZ LYS 15 2HZ LYS 15 -9.836 -9.771 -8.347 182 2HZ LYS 15 1HZ LYS 15 -11.067 -10.432 -7.402 183 3HZ LYS 15 3HZ LYS 15 -11.040 -8.770 -7.680 184 QB LYS 15 QB LYS 15 -8.775 -8.086 -3.441 185 QD LYS 15 QD LYS 15 -8.568 -7.946 -6.939 186 QG LYS 15 QG LYS 15 -7.218 -8.194 -5.103 187 QE LYS 15 QE LYS 15 -9.696 -9.795 -5.793 188 QZ LYS 15 QZ LYS 15 -10.647 -9.658 -7.810 189 H GLU 16 H GLU 16 -8.844 -5.319 -1.916 190 HA GLU 16 HA GLU 16 -11.143 -6.237 -0.456 191 1HB GLU 16 2HB GLU 16 -8.718 -5.723 0.375 192 2HB GLU 16 1HB GLU 16 -9.331 -4.078 0.528 193 1HG GLU 16 2HG GLU 16 -9.589 -5.080 2.643 194 2HG GLU 16 1HG GLU 16 -11.198 -5.030 1.918 195 QB GLU 16 QB GLU 16 -9.025 -4.900 0.452 196 QG GLU 16 QG GLU 16 -10.393 -5.055 2.280 197 H LEU 17 H LEU 17 -9.961 -3.109 -1.625 198 HA LEU 17 HA LEU 17 -12.008 -1.576 -0.525 199 1HB LEU 17 2HB LEU 17 -9.868 -0.669 -1.293 200 2HB LEU 17 1HB LEU 17 -10.321 -1.004 -2.951 201 HG LEU 17 HG LEU 17 -12.176 0.613 -2.753 202 1HD1 LEU 17 2HD1 LEU 17 -12.538 0.432 -0.326 203 2HD1 LEU 17 1HD1 LEU 17 -10.975 1.171 -0.053 204 3HD1 LEU 17 3HD1 LEU 17 -12.257 2.111 -0.809 205 1HD2 LEU 17 2HD2 LEU 17 -9.463 1.685 -2.009 206 2HD2 LEU 17 1HD2 LEU 17 -10.012 1.314 -3.643 207 3HD2 LEU 17 3HD2 LEU 17 -10.772 2.620 -2.729 208 MD1 LEU 17 QD1 LEU 17 -11.923 1.238 -0.396 209 MD2 LEU 17 QD2 LEU 17 -10.082 1.873 -2.793 210 QB LEU 17 QB LEU 17 -10.094 -0.836 -2.122 211 QD LEU 17 QQD LEU 17 -11.003 1.555 -1.595 212 H ILE 18 H ILE 18 -11.637 -2.882 -3.825 213 HA ILE 18 HA ILE 18 -14.002 -1.774 -4.842 214 HB ILE 18 HB ILE 18 -12.657 -4.363 -5.705 215 1HG1 ILE 18 2HG1 ILE 18 -12.340 -1.553 -6.804 216 2HG1 ILE 18 1HG1 ILE 18 -11.187 -2.352 -5.751 217 1HG2 ILE 18 3HG2 ILE 18 -14.953 -4.182 -6.548 218 2HG2 ILE 18 2HG2 ILE 18 -14.602 -2.577 -7.183 219 3HG2 ILE 18 1HG2 ILE 18 -13.789 -3.987 -7.861 220 1HD1 ILE 18 3HD1 ILE 18 -11.964 -3.288 -8.504 221 2HD1 ILE 18 2HD1 ILE 18 -10.483 -2.420 -8.084 222 3HD1 ILE 18 1HD1 ILE 18 -10.773 -4.038 -7.443 223 MG ILE 18 QG2 ILE 18 -14.448 -3.582 -7.198 224 MD ILE 18 QD1 ILE 18 -11.073 -3.249 -8.010 225 QG ILE 18 QG1 ILE 18 -11.763 -1.952 -6.278 226 H TYR 19 H TYR 19 -13.377 -4.836 -3.260 227 HA TYR 19 HA TYR 19 -15.859 -6.079 -3.490 228 1HB TYR 19 2HB TYR 19 -13.763 -7.130 -2.737 229 2HB TYR 19 1HB TYR 19 -13.815 -6.189 -1.264 230 HD1 TYR 19 1HD TYR 19 -14.700 -7.163 0.639 231 HD2 TYR 19 2HD TYR 19 -15.811 -8.693 -3.170 232 HE1 TYR 19 1HE TYR 19 -15.860 -9.024 1.735 233 HE2 TYR 19 2HE TYR 19 -16.979 -10.560 -2.080 234 HH TYR 19 HH TYR 19 -16.995 -11.747 -0.031 235 QB TYR 19 QB TYR 19 -13.789 -6.659 -2.001 236 QD TYR 19 QD TYR 19 -15.255 -7.928 -1.265 237 QE TYR 19 QE TYR 19 -16.420 -9.792 -0.172 238 QR TYR 19 QR TYR 19 -15.837 -8.860 -0.719 239 H LEU 20 H LEU 20 -14.635 -3.827 -1.043 240 HA LEU 20 HA LEU 20 -17.039 -3.877 0.485 241 1HB LEU 20 2HB LEU 20 -14.777 -1.891 0.554 242 2HB LEU 20 1HB LEU 20 -16.057 -2.020 1.743 243 HG LEU 20 HG LEU 20 -13.929 -4.079 1.176 244 1HD1 LEU 20 2HD1 LEU 20 -13.108 -2.149 2.366 245 2HD1 LEU 20 1HD1 LEU 20 -14.404 -2.313 3.553 246 3HD1 LEU 20 3HD1 LEU 20 -13.166 -3.561 3.420 247 1HD2 LEU 20 2HD2 LEU 20 -16.185 -4.126 3.175 248 2HD2 LEU 20 1HD2 LEU 20 -15.996 -5.197 1.787 249 3HD2 LEU 20 3HD2 LEU 20 -14.848 -5.276 3.125 250 MD1 LEU 20 QD1 LEU 20 -13.560 -2.674 3.113 251 MD2 LEU 20 QD2 LEU 20 -15.676 -4.866 2.696 252 QB LEU 20 QB LEU 20 -15.417 -1.955 1.149 253 QD LEU 20 QQD LEU 20 -14.618 -3.770 2.904 254 H VAL 21 H VAL 21 -15.816 -1.842 -2.084 255 HA VAL 21 HA VAL 21 -17.811 0.166 -1.885 256 HB VAL 21 HB VAL 21 -16.181 -0.692 -4.323 257 1HG1 VAL 21 2HG1 VAL 21 -18.215 0.468 -5.048 258 2HG1 VAL 21 1HG1 VAL 21 -17.848 1.802 -3.956 259 3HG1 VAL 21 3HG1 VAL 21 -16.786 1.464 -5.323 260 1HG2 VAL 21 3HG2 VAL 21 -15.844 1.625 -2.423 261 2HG2 VAL 21 2HG2 VAL 21 -14.826 0.187 -2.500 262 3HG2 VAL 21 1HG2 VAL 21 -14.859 1.318 -3.854 263 MG1 VAL 21 QG1 VAL 21 -17.616 1.245 -4.775 264 MG2 VAL 21 QG2 VAL 21 -15.176 1.043 -2.926 265 QG VAL 21 QQG VAL 21 -16.396 1.144 -3.851 266 H GLU 22 H GLU 22 -17.716 -2.946 -3.483 267 HA GLU 22 HA GLU 22 -20.152 -2.637 -4.868 268 1HB GLU 22 2HB GLU 22 -18.855 -5.196 -3.953 269 2HB GLU 22 1HB GLU 22 -20.154 -5.065 -5.126 270 1HG GLU 22 2HG GLU 22 -18.589 -3.647 -6.503 271 2HG GLU 22 1HG GLU 22 -17.317 -4.145 -5.389 272 QB GLU 22 QB GLU 22 -19.505 -5.130 -4.539 273 QG GLU 22 QG GLU 22 -17.953 -3.896 -5.946 274 H LYS 23 H LYS 23 -19.406 -4.103 -1.735 275 HA LYS 23 HA LYS 23 -22.184 -4.738 -1.341 276 1HB LYS 23 2HB LYS 23 -19.835 -5.097 0.496 277 2HB LYS 23 1HB LYS 23 -21.467 -5.612 0.881 278 1HG LYS 23 2HG LYS 23 -21.408 -7.080 -1.133 279 2HG LYS 23 1HG LYS 23 -19.710 -6.635 -1.338 280 1HD LYS 23 2HD LYS 23 -19.190 -7.528 0.861 281 2HD LYS 23 1HD LYS 23 -20.886 -7.933 1.118 282 1HE LYS 23 2HE LYS 23 -19.056 -9.095 -0.986 283 2HE LYS 23 1HE LYS 23 -19.593 -9.896 0.482 284 1HZ LYS 23 3HZ LYS 23 -21.921 -9.675 -0.417 285 2HZ LYS 23 2HZ LYS 23 -21.220 -9.148 -1.875 286 3HZ LYS 23 1HZ LYS 23 -20.893 -10.675 -1.314 287 QB LYS 23 QB LYS 23 -20.651 -5.354 0.688 288 QD LYS 23 QD LYS 23 -20.038 -7.731 0.989 289 QG LYS 23 QG LYS 23 -20.559 -6.858 -1.236 290 QE LYS 23 QE LYS 23 -19.324 -9.496 -0.252 291 QZ LYS 23 QZ LYS 23 -21.344 -9.832 -1.202 292 H TYR 24 H TYR 24 -19.966 -2.449 0.189 293 HA TYR 24 HA TYR 24 -22.235 -1.435 1.745 294 1HB TYR 24 2HB TYR 24 -19.279 -0.886 2.023 295 2HB TYR 24 1HB TYR 24 -20.534 -0.211 3.051 296 HD1 TYR 24 1HD TYR 24 -21.864 -1.757 4.505 297 HD2 TYR 24 2HD TYR 24 -18.390 -3.035 2.417 298 HE1 TYR 24 1HE TYR 24 -21.688 -3.693 5.991 299 HE2 TYR 24 2HE TYR 24 -18.207 -4.981 3.895 300 HH TYR 24 HH TYR 24 -20.686 -5.989 5.919 301 QB TYR 24 QB TYR 24 -19.907 -0.549 2.537 302 QD TYR 24 QD TYR 24 -20.127 -2.396 3.461 303 QE TYR 24 QE TYR 24 -19.948 -4.337 4.943 304 QR TYR 24 QR TYR 24 -20.037 -3.367 4.202 305 H GLY 25 H GLY 25 -19.674 -0.457 -0.378 306 1HA GLY 25 1HA GLY 25 -21.239 1.922 -1.115 307 2HA GLY 25 2HA GLY 25 -19.938 1.206 -2.059 308 QA GLY 25 QA GLY 25 -20.589 1.564 -1.587 309 H PHE 26 H PHE 26 -19.042 3.326 -2.210 310 HA PHE 26 HA PHE 26 -17.179 3.818 -0.066 311 1HB PHE 26 2HB PHE 26 -16.494 3.830 -2.499 312 2HB PHE 26 1HB PHE 26 -17.487 5.259 -2.720 313 HD1 PHE 26 1HD PHE 26 -14.372 3.943 -1.400 314 HD2 PHE 26 2HD PHE 26 -16.777 7.418 -1.791 315 HE1 PHE 26 1HE PHE 26 -12.444 5.342 -0.797 316 HE2 PHE 26 2HE PHE 26 -14.855 8.824 -1.187 317 HZ PHE 26 HZ PHE 26 -12.682 7.784 -0.692 318 QB PHE 26 QB PHE 26 -16.990 4.544 -2.610 319 QD PHE 26 QD PHE 26 -15.575 5.680 -1.596 320 QE PHE 26 QE PHE 26 -13.649 7.083 -0.992 321 QR PHE 26 QR PHE 26 -14.226 6.662 -1.174 322 H THR 27 H THR 27 -18.748 4.465 1.446 323 HA THR 27 HA THR 27 -19.527 7.267 1.095 324 HB THR 27 HB THR 27 -21.291 5.163 2.380 325 HG1 THR 27 1HG THR 27 -22.182 4.915 0.486 326 1HG2 THR 27 1HG2 THR 27 -21.606 7.449 3.249 327 2HG2 THR 27 3HG2 THR 27 -21.837 8.037 1.603 328 3HG2 THR 27 2HG2 THR 27 -23.006 6.924 2.312 329 MG THR 27 QG2 THR 27 -22.149 7.470 2.388 330 H HIS 28 H HIS 28 -19.517 4.702 3.624 331 HA HIS 28 HA HIS 28 -18.896 6.659 5.580 332 1HB HIS 28 2HB HIS 28 -18.751 4.764 7.207 333 2HB HIS 28 1HB HIS 28 -20.257 4.796 6.311 334 HD1 HIS 28 1HD HIS 28 -20.979 2.452 5.722 335 HD2 HIS 28 2HD HIS 28 -16.855 2.877 5.809 336 HE1 HIS 28 1HE HIS 28 -20.048 0.184 5.249 337 QB HIS 28 QB HIS 28 -19.504 4.780 6.759 338 H HIS 29 H HIS 29 -17.070 6.590 7.030 339 HA HIS 29 HA HIS 29 -14.786 7.038 5.495 340 1HB HIS 29 2HB HIS 29 -15.172 7.084 8.469 341 2HB HIS 29 1HB HIS 29 -13.644 7.495 7.702 342 HD1 HIS 29 1HD HIS 29 -17.028 8.892 8.433 343 HD2 HIS 29 2HD HIS 29 -13.697 9.847 6.131 344 HE1 HIS 29 1HE HIS 29 -17.318 11.290 7.736 345 QB HIS 29 QB HIS 29 -14.408 7.290 8.086 346 H LYS 30 H LYS 30 -15.710 4.183 7.172 347 HA LYS 30 HA LYS 30 -13.162 3.048 7.339 348 1HB LYS 30 2HB LYS 30 -14.856 1.904 8.519 349 2HB LYS 30 1HB LYS 30 -15.889 1.767 7.110 350 1HG LYS 30 2HG LYS 30 -14.542 0.066 6.173 351 2HG LYS 30 1HG LYS 30 -13.239 0.368 7.324 352 1HD LYS 30 2HD LYS 30 -14.522 -1.675 7.841 353 2HD LYS 30 1HD LYS 30 -14.596 -0.484 9.132 354 1HE LYS 30 2HE LYS 30 -16.771 -1.509 8.807 355 2HE LYS 30 1HE LYS 30 -16.824 0.189 8.353 356 1HZ LYS 30 2HZ LYS 30 -16.512 -2.018 6.399 357 2HZ LYS 30 1HZ LYS 30 -17.986 -1.348 6.858 358 3HZ LYS 30 3HZ LYS 30 -16.861 -0.379 6.081 359 QB LYS 30 QB LYS 30 -15.372 1.836 7.815 360 QD LYS 30 QD LYS 30 -14.559 -1.079 8.487 361 QG LYS 30 QG LYS 30 -13.890 0.217 6.748 362 QE LYS 30 QE LYS 30 -16.797 -0.660 8.580 363 QZ LYS 30 QZ LYS 30 -17.120 -1.249 6.446 364 H VAL 31 H VAL 31 -15.456 2.952 4.623 365 HA VAL 31 HA VAL 31 -13.712 1.403 2.991 366 HB VAL 31 HB VAL 31 -15.966 3.265 2.122 367 1HG1 VAL 31 2HG1 VAL 31 -14.426 2.734 0.293 368 2HG1 VAL 31 1HG1 VAL 31 -14.622 1.016 0.620 369 3HG1 VAL 31 3HG1 VAL 31 -15.996 1.963 0.046 370 1HG2 VAL 31 3HG2 VAL 31 -16.750 1.510 3.618 371 2HG2 VAL 31 2HG2 VAL 31 -17.318 1.233 1.970 372 3HG2 VAL 31 1HG2 VAL 31 -15.977 0.288 2.610 373 MG1 VAL 31 QG1 VAL 31 -15.015 1.904 0.319 374 MG2 VAL 31 QG2 VAL 31 -16.682 1.010 2.733 375 QG VAL 31 QQG VAL 31 -15.848 1.457 1.526 376 H ILE 32 H ILE 32 -14.175 4.809 3.565 377 HA ILE 32 HA ILE 32 -12.500 5.785 1.527 378 HB ILE 32 HB ILE 32 -13.111 7.082 4.210 379 1HG1 ILE 32 2HG1 ILE 32 -14.512 7.368 1.536 380 2HG1 ILE 32 1HG1 ILE 32 -15.150 6.507 2.924 381 1HG2 ILE 32 1HG2 ILE 32 -11.192 8.118 3.082 382 2HG2 ILE 32 3HG2 ILE 32 -12.152 8.309 1.614 383 3HG2 ILE 32 2HG2 ILE 32 -12.583 9.202 3.072 384 1HD1 ILE 32 2HD1 ILE 32 -15.232 8.620 4.178 385 2HD1 ILE 32 1HD1 ILE 32 -14.609 9.465 2.762 386 3HD1 ILE 32 3HD1 ILE 32 -16.185 8.678 2.696 387 MG ILE 32 QG2 ILE 32 -11.975 8.543 2.589 388 MD ILE 32 QD1 ILE 32 -15.342 8.921 3.212 389 QG ILE 32 QG1 ILE 32 -14.831 6.938 2.230 390 H SER 33 H SER 33 -11.779 4.702 4.850 391 HA SER 33 HA SER 33 -9.123 5.582 4.837 392 1HB SER 33 2HB SER 33 -8.728 4.063 6.763 393 2HB SER 33 1HB SER 33 -10.201 5.002 6.959 394 HG SER 33 HG SER 33 -11.166 2.911 5.931 395 QB SER 33 QB SER 33 -9.465 4.532 6.861 396 H PHE 34 H PHE 34 -10.543 2.589 3.633 397 HA PHE 34 HA PHE 34 -8.101 1.266 3.135 398 1HB PHE 34 2HB PHE 34 -10.808 1.032 1.876 399 2HB PHE 34 1HB PHE 34 -9.445 0.074 1.295 400 HD1 PHE 34 1HD PHE 34 -8.470 -1.615 2.740 401 HD2 PHE 34 2HD PHE 34 -11.913 0.575 3.848 402 HE1 PHE 34 1HE PHE 34 -8.971 -3.295 4.437 403 HE2 PHE 34 2HE PHE 34 -12.449 -1.060 5.540 404 HZ PHE 34 HZ PHE 34 -10.971 -3.036 5.872 405 QB PHE 34 QB PHE 34 -10.126 0.553 1.585 406 QD PHE 34 QD PHE 34 -10.191 -0.520 3.294 407 QE PHE 34 QE PHE 34 -10.710 -2.178 4.988 408 QR PHE 34 QR PHE 34 -10.555 -1.686 4.487 409 H SER 35 H SER 35 -9.957 3.566 1.286 410 HA SER 35 HA SER 35 -8.429 3.397 -1.074 411 1HB SER 35 2HB SER 35 -10.686 4.380 -0.982 412 2HB SER 35 1HB SER 35 -10.078 5.717 -0.008 413 HG SER 35 HG SER 35 -9.629 5.114 -2.723 414 QB SER 35 QB SER 35 -10.382 5.048 -0.495 415 H GLN 36 H GLN 36 -8.160 5.389 1.829 416 HA GLN 36 HA GLN 36 -5.987 6.945 0.875 417 1HB GLN 36 2HB GLN 36 -6.844 6.393 3.715 418 2HB GLN 36 1HB GLN 36 -5.676 7.611 3.228 419 1HG GLN 36 2HG GLN 36 -7.467 8.693 1.883 420 2HG GLN 36 1HG GLN 36 -8.609 7.536 2.569 421 1HE2 GLN 36 1HE2 GLN 36 -9.209 7.748 4.752 422 2HE2 GLN 36 2HE2 GLN 36 -8.817 9.157 5.646 423 QB GLN 36 QB GLN 36 -6.260 7.002 3.471 424 QG GLN 36 QG GLN 36 -8.038 8.115 2.226 425 QE GLN 36 QE2 GLN 36 -9.013 8.452 5.199 426 H GLU 37 H GLU 37 -6.262 3.914 2.541 427 HA GLU 37 HA GLU 37 -3.510 3.665 3.190 428 1HB GLU 37 2HB GLU 37 -5.239 2.454 4.437 429 2HB GLU 37 1HB GLU 37 -5.699 1.581 2.989 430 1HG GLU 37 2HG GLU 37 -3.591 0.431 2.953 431 2HG GLU 37 1HG GLU 37 -3.008 1.394 4.311 432 QB GLU 37 QB GLU 37 -5.469 2.018 3.713 433 QG GLU 37 QG GLU 37 -3.300 0.913 3.632 434 H LEU 38 H LEU 38 -5.548 2.417 0.577 435 HA LEU 38 HA LEU 38 -3.730 0.984 -0.945 436 1HB LEU 38 2HB LEU 38 -6.150 1.103 -1.400 437 2HB LEU 38 1HB LEU 38 -6.025 2.792 -1.784 438 HG LEU 38 HG LEU 38 -6.432 1.255 -3.723 439 1HD1 LEU 38 1HD1 LEU 38 -3.921 2.891 -3.931 440 2HD1 LEU 38 3HD1 LEU 38 -4.872 2.284 -5.287 441 3HD1 LEU 38 2HD1 LEU 38 -5.573 3.460 -4.174 442 1HD2 LEU 38 3HD2 LEU 38 -3.649 0.331 -3.090 443 2HD2 LEU 38 2HD2 LEU 38 -5.147 -0.613 -3.197 444 3HD2 LEU 38 1HD2 LEU 38 -4.451 0.076 -4.646 445 MD1 LEU 38 QD1 LEU 38 -4.789 2.879 -4.464 446 MD2 LEU 38 QD2 LEU 38 -4.416 -0.069 -3.644 447 QB LEU 38 QB LEU 38 -6.088 1.947 -1.592 448 QD LEU 38 QQD LEU 38 -4.602 1.405 -4.054 449 H ASP 39 H ASP 39 -4.550 4.372 -1.101 450 HA ASP 39 HA ASP 39 -2.717 5.254 -3.010 451 1HB ASP 39 2HB ASP 39 -4.597 6.598 -2.371 452 2HB ASP 39 1HB ASP 39 -4.052 6.660 -0.705 453 QB ASP 39 QB ASP 39 -4.324 6.629 -1.538 454 H ARG 40 H ARG 40 -2.423 4.999 0.490 455 HA ARG 40 HA ARG 40 0.061 6.362 0.579 456 1HB ARG 40 2HB ARG 40 -1.575 6.261 2.457 457 2HB ARG 40 1HB ARG 40 -1.125 4.581 2.699 458 1HG ARG 40 2HG ARG 40 1.108 5.191 3.275 459 2HG ARG 40 1HG ARG 40 0.805 6.875 2.845 460 1HD ARG 40 2HD ARG 40 -0.928 6.953 4.611 461 2HD ARG 40 1HD ARG 40 -0.457 5.321 5.091 462 HE ARG 40 HE ARG 40 1.850 6.441 5.281 463 1HH1 ARG 40 1HH1 ARG 40 -1.242 7.869 6.240 464 2HH1 ARG 40 2HH1 ARG 40 -0.569 8.926 7.389 465 1HH2 ARG 40 1HH2 ARG 40 2.781 7.822 6.896 466 2HH2 ARG 40 2HH2 ARG 40 1.784 8.862 7.810 467 QB ARG 40 QB ARG 40 -1.350 5.421 2.578 468 QG ARG 40 QG ARG 40 0.956 6.033 3.060 469 QD ARG 40 QD ARG 40 -0.693 6.137 4.851 470 QH1 ARG 40 QH1 ARG 40 -0.905 8.398 6.815 471 QH2 ARG 40 QH2 ARG 40 2.283 8.342 7.353 472 H LEU 41 H LEU 41 -0.822 2.921 0.571 473 HA LEU 41 HA LEU 41 1.828 2.013 0.937 474 1HB LEU 41 2HB LEU 41 -0.690 0.711 0.010 475 2HB LEU 41 1HB LEU 41 0.826 -0.096 -0.329 476 HG LEU 41 HG LEU 41 1.329 -0.209 2.059 477 1HD1 LEU 41 1HD1 LEU 41 -1.360 1.066 2.483 478 2HD1 LEU 41 3HD1 LEU 41 -0.357 0.341 3.738 479 3HD1 LEU 41 2HD1 LEU 41 0.210 1.766 2.868 480 1HD2 LEU 41 2HD2 LEU 41 -1.390 -1.284 1.340 481 2HD2 LEU 41 1HD2 LEU 41 0.164 -2.060 1.034 482 3HD2 LEU 41 3HD2 LEU 41 -0.400 -1.831 2.689 483 MD1 LEU 41 QD1 LEU 41 -0.502 1.058 3.030 484 MD2 LEU 41 QD2 LEU 41 -0.542 -1.725 1.688 485 QB LEU 41 QB LEU 41 0.068 0.308 -0.160 486 QD LEU 41 QQD LEU 41 -0.522 -0.334 2.359 487 H LEU 42 H LEU 42 0.029 2.942 -1.870 488 HA LEU 42 HA LEU 42 1.907 2.055 -3.801 489 1HB LEU 42 2HB LEU 42 -0.522 2.759 -4.152 490 2HB LEU 42 1HB LEU 42 0.007 4.413 -3.996 491 HG LEU 42 HG LEU 42 0.983 2.569 -6.198 492 1HD1 LEU 42 3HD1 LEU 42 -1.288 4.548 -6.233 493 2HD1 LEU 42 2HD1 LEU 42 -0.653 3.688 -7.635 494 3HD1 LEU 42 1HD1 LEU 42 -1.437 2.794 -6.332 495 1HD2 LEU 42 2HD2 LEU 42 2.386 4.553 -5.782 496 2HD2 LEU 42 1HD2 LEU 42 1.553 4.664 -7.335 497 3HD2 LEU 42 3HD2 LEU 42 0.963 5.582 -5.951 498 MD1 LEU 42 QD1 LEU 42 -1.126 3.677 -6.733 499 MD2 LEU 42 QD2 LEU 42 1.634 4.933 -6.356 500 QB LEU 42 QB LEU 42 -0.257 3.586 -4.074 501 QD LEU 42 QQD LEU 42 0.254 4.305 -6.545 502 H ASN 43 H ASN 43 1.510 5.012 -1.957 503 HA ASN 43 HA ASN 43 3.664 6.431 -3.125 504 1HB ASN 43 2HB ASN 43 2.033 6.847 -0.662 505 2HB ASN 43 1HB ASN 43 3.549 7.720 -0.820 506 1HD2 ASN 43 1HD2 ASN 43 0.328 7.299 -2.129 507 2HD2 ASN 43 2HD2 ASN 43 0.349 8.758 -3.047 508 QB ASN 43 QB ASN 43 2.791 7.284 -0.741 509 QD ASN 43 QD2 ASN 43 0.338 8.028 -2.588 510 H LEU 44 H LEU 44 3.590 3.984 -0.724 511 HA LEU 44 HA LEU 44 6.048 4.537 0.525 512 1HB LEU 44 2HB LEU 44 4.631 1.915 0.107 513 2HB LEU 44 1HB LEU 44 6.061 2.075 1.096 514 HG LEU 44 HG LEU 44 3.383 3.378 1.619 515 1HD1 LEU 44 2HD1 LEU 44 3.385 0.975 2.022 516 2HD1 LEU 44 1HD1 LEU 44 4.814 1.135 3.037 517 3HD1 LEU 44 3HD1 LEU 44 3.292 1.866 3.542 518 1HD2 LEU 44 1HD2 LEU 44 5.934 3.436 3.234 519 2HD2 LEU 44 3HD2 LEU 44 5.178 4.807 2.413 520 3HD2 LEU 44 2HD2 LEU 44 4.368 4.039 3.775 521 MD1 LEU 44 QD1 LEU 44 3.830 1.325 2.867 522 MD2 LEU 44 QD2 LEU 44 5.160 4.094 3.141 523 QB LEU 44 QB LEU 44 5.346 1.995 0.602 524 QD LEU 44 QQD LEU 44 4.495 2.710 3.004 525 H LEU 45 H LEU 45 5.283 2.728 -2.398 526 HA LEU 45 HA LEU 45 7.962 1.870 -2.860 527 1HB LEU 45 2HB LEU 45 5.613 2.120 -4.748 528 2HB LEU 45 1HB LEU 45 7.192 1.610 -5.294 529 HG LEU 45 HG LEU 45 7.018 -0.354 -3.740 530 1HD1 LEU 45 2HD1 LEU 45 4.188 0.591 -3.431 531 2HD1 LEU 45 1HD1 LEU 45 4.812 -0.981 -2.914 532 3HD1 LEU 45 3HD1 LEU 45 5.410 0.502 -2.168 533 1HD2 LEU 45 2HD2 LEU 45 6.534 -0.569 -6.113 534 2HD2 LEU 45 1HD2 LEU 45 5.473 -1.603 -5.155 535 3HD2 LEU 45 3HD2 LEU 45 4.860 -0.092 -5.824 536 MD1 LEU 45 QD1 LEU 45 4.804 0.037 -2.838 537 MD2 LEU 45 QD2 LEU 45 5.623 -0.755 -5.697 538 QB LEU 45 QB LEU 45 6.403 1.865 -5.021 539 QD LEU 45 QQD LEU 45 5.213 -0.359 -4.268 540 H ILE 46 H ILE 46 6.052 4.610 -3.915 541 HA ILE 46 HA ILE 46 7.901 5.810 -5.648 542 HB ILE 46 HB ILE 46 5.857 7.164 -3.853 543 1HG1 ILE 46 2HG1 ILE 46 5.634 6.272 -6.740 544 2HG1 ILE 46 1HG1 ILE 46 4.873 5.483 -5.365 545 1HG2 ILE 46 2HG2 ILE 46 7.516 8.763 -4.670 546 2HG2 ILE 46 1HG2 ILE 46 7.244 8.222 -6.327 547 3HG2 ILE 46 3HG2 ILE 46 5.953 9.037 -5.440 548 1HD1 ILE 46 2HD1 ILE 46 4.304 8.273 -6.337 549 2HD1 ILE 46 1HD1 ILE 46 3.285 6.855 -6.591 550 3HD1 ILE 46 3HD1 ILE 46 3.533 7.486 -4.963 551 MG ILE 46 QG2 ILE 46 6.904 8.674 -5.479 552 MD ILE 46 QD1 ILE 46 3.707 7.538 -5.964 553 QG ILE 46 QG1 ILE 46 5.253 5.877 -6.052 554 H GLU 47 H GLU 47 7.423 6.132 -2.166 555 HA GLU 47 HA GLU 47 9.400 8.038 -1.650 556 1HB GLU 47 2HB GLU 47 7.712 7.396 0.018 557 2HB GLU 47 1HB GLU 47 8.441 5.797 0.142 558 1HG GLU 47 2HG GLU 47 10.544 6.884 0.832 559 2HG GLU 47 1HG GLU 47 9.691 8.424 0.923 560 QB GLU 47 QB GLU 47 8.076 6.596 0.080 561 QG GLU 47 QG GLU 47 10.118 7.654 0.877 562 H LEU 48 H LEU 48 9.525 4.494 -1.519 563 HA LEU 48 HA LEU 48 12.165 4.286 -0.639 564 1HB LEU 48 2HB LEU 48 10.488 2.529 -0.535 565 2HB LEU 48 1HB LEU 48 10.644 2.305 -2.264 566 HG LEU 48 HG LEU 48 12.885 1.476 -2.055 567 1HD1 LEU 48 3HD1 LEU 48 12.662 2.185 0.884 568 2HD1 LEU 48 2HD1 LEU 48 14.018 1.342 0.136 569 3HD1 LEU 48 1HD1 LEU 48 13.686 3.023 -0.280 570 1HD2 LEU 48 3HD2 LEU 48 11.050 -0.022 -1.544 571 2HD2 LEU 48 2HD2 LEU 48 12.516 -0.411 -0.596 572 3HD2 LEU 48 1HD2 LEU 48 11.177 0.511 0.134 573 MD1 LEU 48 QD1 LEU 48 13.455 2.183 0.247 574 MD2 LEU 48 QD2 LEU 48 11.581 0.026 -0.669 575 QB LEU 48 QB LEU 48 10.566 2.417 -1.400 576 QD LEU 48 QQD LEU 48 12.518 1.105 -0.211 577 H LYS 49 H LYS 49 10.871 4.478 -3.909 578 HA LYS 49 HA LYS 49 13.385 3.931 -5.142 579 1HB LYS 49 2HB LYS 49 10.936 5.267 -6.314 580 2HB LYS 49 1HB LYS 49 12.321 4.725 -7.241 581 1HG LYS 49 2HG LYS 49 10.394 2.994 -5.694 582 2HG LYS 49 1HG LYS 49 10.519 3.133 -7.445 583 1HD LYS 49 2HD LYS 49 12.723 2.078 -5.651 584 2HD LYS 49 1HD LYS 49 11.558 1.081 -6.505 585 1HE LYS 49 2HE LYS 49 13.409 3.011 -7.895 586 2HE LYS 49 1HE LYS 49 13.794 1.313 -7.626 587 1HZ LYS 49 2HZ LYS 49 11.451 2.308 -9.172 588 2HZ LYS 49 1HZ LYS 49 12.876 1.674 -9.824 589 3HZ LYS 49 3HZ LYS 49 11.860 0.707 -8.893 590 QB LYS 49 QB LYS 49 11.629 4.996 -6.777 591 QD LYS 49 QD LYS 49 12.140 1.579 -6.078 592 QG LYS 49 QG LYS 49 10.457 3.063 -6.570 593 QE LYS 49 QE LYS 49 13.601 2.162 -7.760 594 QZ LYS 49 QZ LYS 49 12.062 1.563 -9.296 595 H THR 50 H THR 50 11.591 6.931 -4.573 596 HA THR 50 HA THR 50 13.537 8.607 -5.760 597 HB THR 50 HB THR 50 11.417 9.401 -3.750 598 HG1 THR 50 1HG THR 50 10.193 8.460 -5.219 599 1HG2 THR 50 2HG2 THR 50 12.694 10.862 -6.078 600 2HG2 THR 50 1HG2 THR 50 11.433 11.516 -5.032 601 3HG2 THR 50 3HG2 THR 50 13.029 11.155 -4.372 602 MG THR 50 QG2 THR 50 12.385 11.178 -5.160 603 H LYS 51 H LYS 51 13.308 7.117 -2.674 604 HA LYS 51 HA LYS 51 14.542 8.858 -0.919 605 1HB LYS 51 2HB LYS 51 13.580 6.292 -0.834 606 2HB LYS 51 1HB LYS 51 15.303 6.025 -0.670 607 1HG LYS 51 2HG LYS 51 14.309 6.145 1.521 608 2HG LYS 51 1HG LYS 51 15.316 7.570 1.274 609 1HD LYS 51 2HD LYS 51 13.379 8.932 0.803 610 2HD LYS 51 1HD LYS 51 12.354 7.498 0.811 611 1HE LYS 51 2HE LYS 51 13.893 8.494 3.217 612 2HE LYS 51 1HE LYS 51 12.216 8.919 2.889 613 1HZ LYS 51 2HZ LYS 51 13.207 6.138 3.284 614 2HZ LYS 51 1HZ LYS 51 12.480 7.046 4.464 615 3HZ LYS 51 3HZ LYS 51 11.596 6.581 3.120 616 QB LYS 51 QB LYS 51 14.442 6.159 -0.752 617 QD LYS 51 QD LYS 51 12.866 8.215 0.807 618 QG LYS 51 QG LYS 51 14.812 6.858 1.397 619 QE LYS 51 QE LYS 51 13.054 8.707 3.053 620 QZ LYS 51 QZ LYS 51 12.428 6.588 3.623 621 H LYS 52 H LYS 52 15.832 6.727 -3.339 622 HA LYS 52 HA LYS 52 17.788 6.242 -4.253 623 1HB LYS 52 2HB LYS 52 19.250 8.079 -4.939 624 2HB LYS 52 1HB LYS 52 17.550 8.399 -5.238 625 1HG LYS 52 2HG LYS 52 17.452 9.882 -3.371 626 2HG LYS 52 1HG LYS 52 19.098 9.470 -2.897 627 1HD LYS 52 2HD LYS 52 19.952 10.403 -4.922 628 2HD LYS 52 1HD LYS 52 18.327 10.714 -5.523 629 1HE LYS 52 2HE LYS 52 17.894 12.237 -3.670 630 2HE LYS 52 1HE LYS 52 19.493 11.928 -3.004 631 1HZ LYS 52 2HZ LYS 52 18.957 13.207 -5.637 632 2HZ LYS 52 1HZ LYS 52 19.320 14.021 -4.212 633 3HZ LYS 52 3HZ LYS 52 20.468 13.008 -4.906 634 QB LYS 52 QB LYS 52 18.400 8.239 -5.089 635 QD LYS 52 QD LYS 52 19.139 10.559 -5.222 636 QG LYS 52 QG LYS 52 18.275 9.676 -3.134 637 QE LYS 52 QE LYS 52 18.694 12.082 -3.337 638 QZ LYS 52 QZ LYS 52 19.582 13.412 -4.919 639 H LYS 53 H LYS 53 17.971 6.857 -1.105 640 HA LYS 53 HA LYS 53 20.797 6.623 -0.619 641 1HB LYS 53 2HB LYS 53 20.052 6.270 1.714 642 2HB LYS 53 1HB LYS 53 19.322 7.683 0.959 643 1HG LYS 53 2HG LYS 53 17.235 6.553 0.636 644 2HG LYS 53 1HG LYS 53 17.932 5.019 1.127 645 1HD LYS 53 2HD LYS 53 17.848 7.376 2.981 646 2HD LYS 53 1HD LYS 53 16.471 6.290 2.817 647 1HE LYS 53 2HE LYS 53 17.733 5.583 4.724 648 2HE LYS 53 1HE LYS 53 17.984 4.407 3.446 649 1HZ LYS 53 2HZ LYS 53 19.917 6.554 4.144 650 2HZ LYS 53 1HZ LYS 53 19.972 4.993 4.722 651 3HZ LYS 53 3HZ LYS 53 20.198 5.259 3.088 652 QB LYS 53 QB LYS 53 19.687 6.977 1.336 653 QD LYS 53 QD LYS 53 17.160 6.833 2.899 654 QG LYS 53 QG LYS 53 17.583 5.786 0.882 655 QE LYS 53 QE LYS 53 17.859 4.995 4.085 656 QZ LYS 53 QZ LYS 53 20.029 5.602 3.985 657 H ARG 54 H ARG 54 19.807 4.723 -2.359 658 HA ARG 54 HA ARG 54 19.584 2.177 -0.967 659 1HB ARG 54 2HB ARG 54 19.230 2.980 -3.860 660 2HB ARG 54 1HB ARG 54 18.975 1.355 -3.233 661 1HG ARG 54 2HG ARG 54 17.090 2.061 -1.963 662 2HG ARG 54 1HG ARG 54 17.455 3.756 -2.250 663 1HD ARG 54 2HD ARG 54 15.574 2.984 -3.618 664 2HD ARG 54 1HD ARG 54 16.933 3.504 -4.602 665 HE ARG 54 HE ARG 54 17.410 1.203 -5.069 666 1HH1 ARG 54 1HH1 ARG 54 14.256 1.745 -3.495 667 2HH1 ARG 54 2HH1 ARG 54 13.565 0.329 -4.170 668 1HH2 ARG 54 1HH2 ARG 54 16.403 -0.714 -5.973 669 2HH2 ARG 54 2HH2 ARG 54 14.806 -1.088 -5.577 670 QB ARG 54 QB ARG 54 19.103 2.167 -3.547 671 QG ARG 54 QG ARG 54 17.273 2.909 -2.106 672 QD ARG 54 QD ARG 54 16.254 3.244 -4.110 673 QH1 ARG 54 QH1 ARG 54 13.910 1.037 -3.832 674 QH2 ARG 54 QH2 ARG 54 15.605 -0.901 -5.775 675 H TYR 55 H TYR 55 21.490 1.251 -0.584 676 HA TYR 55 HA TYR 55 23.915 1.943 -1.734 677 1HB TYR 55 2HB TYR 55 24.677 -0.379 -0.842 678 2HB TYR 55 1HB TYR 55 24.162 0.852 0.298 679 HD1 TYR 55 1HD TYR 55 22.656 0.287 1.924 680 HD2 TYR 55 2HD TYR 55 22.759 -2.061 -1.618 681 HE1 TYR 55 1HE TYR 55 21.012 -1.243 2.900 682 HE2 TYR 55 2HE TYR 55 21.107 -3.606 -0.642 683 HH TYR 55 HH TYR 55 19.434 -2.825 2.278 684 QB TYR 55 QB TYR 55 24.419 0.236 -0.272 685 QD TYR 55 QD TYR 55 22.708 -0.887 0.153 686 QE TYR 55 QE TYR 55 21.059 -2.424 1.129 687 QR TYR 55 QR TYR 55 21.884 -1.656 0.641 688 H SER 56 H SER 56 21.472 -0.050 -3.030 689 HA SER 56 HA SER 56 22.994 -1.525 -4.848 690 1HB SER 56 2HB SER 56 20.646 -1.623 -5.912 691 2HB SER 56 1HB SER 56 20.876 -2.313 -4.299 692 HG SER 56 HG SER 56 19.204 -0.470 -5.017 693 QB SER 56 QB SER 56 20.761 -1.968 -5.106 694 H LEU 57 H LEU 57 21.795 1.769 -4.799 695 HA LEU 57 HA LEU 57 22.262 2.210 -7.641 696 1HB LEU 57 2HB LEU 57 21.721 4.169 -5.393 697 2HB LEU 57 1HB LEU 57 21.871 4.605 -7.075 698 HG LEU 57 HG LEU 57 19.669 2.924 -5.875 699 1HD1 LEU 57 2HD1 LEU 57 19.561 5.299 -5.220 700 2HD1 LEU 57 1HD1 LEU 57 19.674 5.787 -6.895 701 3HD1 LEU 57 3HD1 LEU 57 18.262 4.898 -6.339 702 1HD2 LEU 57 2HD2 LEU 57 20.159 2.311 -8.198 703 2HD2 LEU 57 1HD2 LEU 57 18.607 3.139 -8.065 704 3HD2 LEU 57 3HD2 LEU 57 20.019 4.003 -8.671 705 MD1 LEU 57 QD1 LEU 57 19.166 5.328 -6.151 706 MD2 LEU 57 QD2 LEU 57 19.595 3.151 -8.311 707 QB LEU 57 QB LEU 57 21.796 4.387 -6.234 708 QD LEU 57 QQD LEU 57 19.380 4.240 -7.231 709 H LEU 58 H LEU 58 23.732 2.679 -4.576 710 HA LEU 58 HA LEU 58 25.787 4.461 -5.427 711 1HB LEU 58 2HB LEU 58 25.552 2.873 -2.878 712 2HB LEU 58 1HB LEU 58 26.622 4.232 -3.155 713 HG LEU 58 HG LEU 58 23.604 4.388 -3.171 714 1HD1 LEU 58 2HD1 LEU 58 25.582 5.236 -1.077 715 2HD1 LEU 58 1HD1 LEU 58 23.854 5.595 -1.062 716 3HD1 LEU 58 3HD1 LEU 58 24.408 3.926 -0.945 717 1HD2 LEU 58 1HD2 LEU 58 25.698 6.559 -3.290 718 2HD2 LEU 58 3HD2 LEU 58 24.618 6.075 -4.601 719 3HD2 LEU 58 2HD2 LEU 58 23.960 6.818 -3.145 720 MD1 LEU 58 QD1 LEU 58 24.615 4.919 -1.028 721 MD2 LEU 58 QD2 LEU 58 24.759 6.484 -3.679 722 QB LEU 58 QB LEU 58 26.087 3.553 -3.017 723 QD LEU 58 QQD LEU 58 24.687 5.702 -2.353 724 H GLU 59 H GLU 59 25.760 1.009 -4.489 725 HA GLU 59 HA GLU 59 28.107 0.752 -6.110 726 1HB GLU 59 2HB GLU 59 29.225 -0.650 -4.370 727 2HB GLU 59 1HB GLU 59 29.086 1.063 -4.004 728 1HG GLU 59 2HG GLU 59 27.146 0.547 -2.555 729 2HG GLU 59 1HG GLU 59 27.419 -1.169 -2.862 730 QB GLU 59 QB GLU 59 29.156 0.206 -4.187 731 QG GLU 59 QG GLU 59 27.282 -0.311 -2.708 732 H HIS 60 H HIS 60 26.593 -0.096 -7.534 733 HA HIS 60 HA HIS 60 25.926 -2.920 -7.033 734 1HB HIS 60 2HB HIS 60 24.532 -2.766 -9.081 735 2HB HIS 60 1HB HIS 60 24.055 -1.553 -7.907 736 HD1 HIS 60 1HD HIS 60 25.362 -1.943 -11.376 737 HD2 HIS 60 2HD HIS 60 24.692 1.125 -8.657 738 HE1 HIS 60 1HE HIS 60 25.490 0.184 -12.687 739 QB HIS 60 QB HIS 60 24.293 -2.160 -8.494 740 H HIS 61 H HIS 61 28.393 -1.377 -7.705 741 HA HIS 61 HA HIS 61 29.308 -2.170 -10.303 742 1HB HIS 61 2HB HIS 61 29.918 -0.063 -9.073 743 2HB HIS 61 1HB HIS 61 30.828 -1.056 -7.948 744 HD1 HIS 61 1HD HIS 61 33.092 -2.160 -8.939 745 HD2 HIS 61 2HD HIS 61 31.093 0.520 -11.404 746 HE1 HIS 61 1HE HIS 61 34.730 -1.483 -10.717 747 QB HIS 61 QB HIS 61 30.373 -0.559 -8.510 748 H HIS 62 H HIS 62 30.399 -4.030 -10.723 749 HA HIS 62 HA HIS 62 30.900 -5.811 -8.526 750 1HB HIS 62 2HB HIS 62 31.079 -6.208 -11.508 751 2HB HIS 62 1HB HIS 62 31.670 -7.413 -10.371 752 HD1 HIS 62 1HD HIS 62 28.558 -6.171 -11.945 753 HD2 HIS 62 2HD HIS 62 29.650 -8.553 -8.722 754 HE1 HIS 62 1HE HIS 62 26.491 -7.448 -11.279 755 QB HIS 62 QB HIS 62 31.375 -6.810 -10.939 756 H HIS 63 H HIS 63 32.407 -4.825 -7.465 757 HA HIS 63 HA HIS 63 35.049 -4.723 -8.689 758 1HB HIS 63 2HB HIS 63 35.625 -3.332 -6.558 759 2HB HIS 63 1HB HIS 63 34.724 -2.560 -7.849 760 HD1 HIS 63 1HD HIS 63 33.070 -0.990 -6.783 761 HD2 HIS 63 2HD HIS 63 33.457 -4.533 -4.637 762 HE1 HIS 63 1HE HIS 63 31.397 -0.868 -4.926 763 QB HIS 63 QB HIS 63 35.175 -2.946 -7.203 764 H HIS 64 H HIS 64 36.696 -5.911 -7.890 765 HA HIS 64 HA HIS 64 35.907 -7.913 -5.955 766 1HB HIS 64 2HB HIS 64 37.965 -7.895 -8.161 767 2HB HIS 64 1HB HIS 64 37.760 -9.199 -7.006 768 HD1 HIS 64 1HD HIS 64 36.088 -11.004 -7.698 769 HD2 HIS 64 2HD HIS 64 35.620 -7.484 -9.839 770 HE1 HIS 64 1HE HIS 64 34.412 -11.506 -9.513 771 QB HIS 64 QB HIS 64 37.862 -8.547 -7.584 No H/Q in entry = 771 Start of MODEL 25 1 H1 MET 1 1HT MET 1 11.703 -6.553 1.707 2 H2 MET 1 3HT MET 1 11.136 -8.130 1.969 3 H3 MET 1 2HT MET 1 12.191 -7.395 3.047 4 HA MET 1 HA MET 1 13.977 -7.361 1.542 5 1HB MET 1 2HB MET 1 12.630 -10.069 1.513 6 2HB MET 1 1HB MET 1 14.324 -9.778 1.164 7 1HG MET 1 2HG MET 1 14.683 -9.010 3.428 8 2HG MET 1 1HG MET 1 12.968 -9.201 3.786 9 1HE MET 1 2HE MET 1 13.365 -10.679 5.875 10 2HE MET 1 1HE MET 1 14.457 -12.061 5.913 11 3HE MET 1 3HE MET 1 15.100 -10.436 5.675 12 QB MET 1 QB MET 1 13.477 -9.923 1.339 13 QG MET 1 QG MET 1 13.826 -9.106 3.607 14 ME MET 1 QE MET 1 14.307 -11.058 5.821 15 H ASN 2 H ASN 2 10.885 -7.838 -0.010 16 HA ASN 2 HA ASN 2 12.206 -7.815 -2.617 17 1HB ASN 2 2HB ASN 2 9.881 -9.633 -1.876 18 2HB ASN 2 1HB ASN 2 10.617 -9.495 -3.465 19 1HD2 ASN 2 1HD2 ASN 2 12.622 -10.476 -3.815 20 2HD2 ASN 2 2HD2 ASN 2 13.282 -11.656 -2.758 21 QB ASN 2 QB ASN 2 10.249 -9.564 -2.671 22 QD ASN 2 QD2 ASN 2 12.952 -11.066 -3.287 23 H VAL 3 H VAL 3 11.383 -6.055 -3.638 24 HA VAL 3 HA VAL 3 9.326 -4.505 -2.550 25 HB VAL 3 HB VAL 3 9.314 -3.172 -4.646 26 1HG1 VAL 3 3HG1 VAL 3 10.928 -2.685 -2.896 27 2HG1 VAL 3 2HG1 VAL 3 12.059 -3.829 -3.621 28 3HG1 VAL 3 1HG1 VAL 3 11.608 -2.367 -4.494 29 1HG2 VAL 3 3HG2 VAL 3 9.690 -4.953 -6.267 30 2HG2 VAL 3 2HG2 VAL 3 10.918 -3.697 -6.439 31 3HG2 VAL 3 1HG2 VAL 3 11.311 -5.214 -5.627 32 MG1 VAL 3 QG1 VAL 3 11.532 -2.960 -3.670 33 MG2 VAL 3 QG2 VAL 3 10.640 -4.621 -6.111 34 QG VAL 3 QQG VAL 3 11.086 -3.791 -4.891 35 H THR 4 H THR 4 9.087 -7.152 -4.707 36 HA THR 4 HA THR 4 6.622 -6.552 -5.858 37 HB THR 4 HB THR 4 8.152 -8.325 -6.713 38 HG1 THR 4 1HG THR 4 6.381 -9.919 -7.039 39 1HG2 THR 4 3HG2 THR 4 8.756 -9.383 -4.586 40 2HG2 THR 4 2HG2 THR 4 7.097 -9.950 -4.395 41 3HG2 THR 4 1HG2 THR 4 8.097 -10.577 -5.709 42 MG THR 4 QG2 THR 4 7.983 -9.970 -4.897 43 H LYS 5 H LYS 5 7.409 -7.834 -2.689 44 HA LYS 5 HA LYS 5 4.781 -8.813 -2.172 45 1HB LYS 5 2HB LYS 5 5.419 -9.159 0.121 46 2HB LYS 5 1HB LYS 5 6.775 -9.637 -0.886 47 1HG LYS 5 2HG LYS 5 7.830 -7.440 -0.376 48 2HG LYS 5 1HG LYS 5 6.499 -7.100 0.719 49 1HD LYS 5 2HD LYS 5 8.359 -9.474 0.991 50 2HD LYS 5 1HD LYS 5 8.614 -7.943 1.801 51 1HE LYS 5 2HE LYS 5 7.628 -9.449 3.381 52 2HE LYS 5 1HE LYS 5 6.415 -8.261 2.956 53 1HZ LYS 5 1HZ LYS 5 6.545 -11.003 1.802 54 2HZ LYS 5 3HZ LYS 5 5.614 -10.581 3.114 55 3HZ LYS 5 2HZ LYS 5 5.259 -9.924 1.631 56 QB LYS 5 QB LYS 5 6.097 -9.398 -0.382 57 QD LYS 5 QD LYS 5 8.487 -8.709 1.396 58 QG LYS 5 QG LYS 5 7.164 -7.270 0.171 59 QE LYS 5 QE LYS 5 7.022 -8.855 3.169 60 QZ LYS 5 QZ LYS 5 5.806 -10.503 2.182 61 H LEU 6 H LEU 6 6.296 -5.753 -1.976 62 HA LEU 6 HA LEU 6 4.426 -4.508 -0.260 63 1HB LEU 6 2HB LEU 6 6.679 -3.574 -0.774 64 2HB LEU 6 1HB LEU 6 6.120 -3.295 -2.417 65 HG LEU 6 HG LEU 6 4.493 -1.671 -1.639 66 1HD1 LEU 6 2HD1 LEU 6 5.620 -2.217 1.107 67 2HD1 LEU 6 1HD1 LEU 6 4.482 -0.932 0.696 68 3HD1 LEU 6 3HD1 LEU 6 4.000 -2.621 0.548 69 1HD2 LEU 6 1HD2 LEU 6 6.750 -0.930 -2.223 70 2HD2 LEU 6 3HD2 LEU 6 6.052 0.064 -0.948 71 3HD2 LEU 6 2HD2 LEU 6 7.263 -1.157 -0.552 72 MD1 LEU 6 QD1 LEU 6 4.701 -1.923 0.784 73 MD2 LEU 6 QD2 LEU 6 6.688 -0.674 -1.241 74 QB LEU 6 QB LEU 6 6.399 -3.435 -1.595 75 QD LEU 6 QQD LEU 6 5.694 -1.299 -0.229 76 H ASN 7 H ASN 7 4.766 -4.741 -3.777 77 HA ASN 7 HA ASN 7 2.400 -3.295 -4.348 78 1HB ASN 7 2HB ASN 7 4.163 -3.646 -6.051 79 2HB ASN 7 1HB ASN 7 3.791 -5.367 -6.070 80 1HD2 ASN 7 1HD2 ASN 7 3.222 -5.417 -8.204 81 2HD2 ASN 7 2HD2 ASN 7 1.798 -4.665 -8.826 82 QB ASN 7 QB ASN 7 3.977 -4.507 -6.061 83 QD ASN 7 QD2 ASN 7 2.510 -5.041 -8.515 84 H ASP 8 H ASP 8 3.140 -6.664 -3.862 85 HA ASP 8 HA ASP 8 0.748 -7.919 -4.461 86 1HB ASP 8 2HB ASP 8 2.699 -9.209 -3.904 87 2HB ASP 8 1HB ASP 8 2.748 -8.510 -2.290 88 QB ASP 8 QB ASP 8 2.724 -8.860 -3.097 89 H ARG 9 H ARG 9 1.655 -6.286 -1.425 90 HA ARG 9 HA ARG 9 -0.779 -7.034 -0.131 91 1HB ARG 9 2HB ARG 9 -0.138 -5.691 1.728 92 2HB ARG 9 1HB ARG 9 1.355 -6.363 1.103 93 1HG ARG 9 2HG ARG 9 1.872 -4.273 0.027 94 2HG ARG 9 1HG ARG 9 0.340 -3.598 0.578 95 1HD ARG 9 2HD ARG 9 2.088 -2.866 2.014 96 2HD ARG 9 1HD ARG 9 1.050 -3.976 2.904 97 HE ARG 9 HE ARG 9 3.033 -5.570 1.946 98 1HH1 ARG 9 1HH1 ARG 9 2.935 -2.689 4.003 99 2HH1 ARG 9 2HH1 ARG 9 4.419 -2.991 4.749 100 1HH2 ARG 9 1HH2 ARG 9 5.038 -6.028 3.008 101 2HH2 ARG 9 2HH2 ARG 9 5.635 -4.964 4.197 102 QB ARG 9 QB ARG 9 0.608 -6.027 1.415 103 QG ARG 9 QG ARG 9 1.106 -3.935 0.303 104 QD ARG 9 QD ARG 9 1.569 -3.421 2.459 105 QH1 ARG 9 QH1 ARG 9 3.677 -2.840 4.376 106 QH2 ARG 9 QH2 ARG 9 5.336 -5.496 3.602 107 H ILE 10 H ILE 10 0.195 -4.410 -2.160 108 HA ILE 10 HA ILE 10 -1.982 -2.673 -1.583 109 HB ILE 10 HB ILE 10 -0.280 -2.834 -4.098 110 1HG1 ILE 10 2HG1 ILE 10 -0.032 -1.050 -1.693 111 2HG1 ILE 10 1HG1 ILE 10 0.995 -2.443 -2.001 112 1HG2 ILE 10 2HG2 ILE 10 -2.386 -1.602 -4.472 113 2HG2 ILE 10 1HG2 ILE 10 -2.049 -0.594 -3.070 114 3HG2 ILE 10 3HG2 ILE 10 -1.008 -0.504 -4.489 115 1HD1 ILE 10 2HD1 ILE 10 0.809 0.042 -3.691 116 2HD1 ILE 10 1HD1 ILE 10 2.115 -0.375 -2.582 117 3HD1 ILE 10 3HD1 ILE 10 1.841 -1.353 -4.022 118 MG ILE 10 QG2 ILE 10 -1.814 -0.900 -4.010 119 MD ILE 10 QD1 ILE 10 1.588 -0.562 -3.432 120 QG ILE 10 QG1 ILE 10 0.481 -1.746 -1.847 121 H GLU 11 H GLU 11 -1.295 -5.050 -4.091 122 HA GLU 11 HA GLU 11 -3.644 -4.751 -5.565 123 1HB GLU 11 2HB GLU 11 -1.553 -6.066 -6.199 124 2HB GLU 11 1HB GLU 11 -2.188 -7.368 -5.204 125 1HG GLU 11 2HG GLU 11 -4.236 -7.361 -6.566 126 2HG GLU 11 1HG GLU 11 -3.496 -6.166 -7.627 127 QB GLU 11 QB GLU 11 -1.871 -6.717 -5.702 128 QG GLU 11 QG GLU 11 -3.866 -6.764 -7.097 129 H ALA 12 H ALA 12 -2.917 -6.729 -2.781 130 HA ALA 12 HA ALA 12 -5.412 -8.096 -2.669 131 1HB ALA 12 2HB ALA 12 -3.374 -8.972 -1.596 132 2HB ALA 12 3HB ALA 12 -4.706 -8.815 -0.450 133 3HB ALA 12 1HB ALA 12 -3.408 -7.624 -0.466 134 MB ALA 12 QB ALA 12 -3.829 -8.470 -0.837 135 H LYS 13 H LYS 13 -4.203 -5.092 -1.337 136 HA LYS 13 HA LYS 13 -6.407 -4.813 0.459 137 1HB LYS 13 2HB LYS 13 -4.082 -3.812 0.781 138 2HB LYS 13 1HB LYS 13 -4.523 -2.610 -0.413 139 1HG LYS 13 2HG LYS 13 -4.821 -1.725 1.825 140 2HG LYS 13 1HG LYS 13 -6.393 -1.894 1.033 141 1HD LYS 13 2HD LYS 13 -6.783 -3.996 2.196 142 2HD LYS 13 1HD LYS 13 -5.189 -3.892 2.951 143 1HE LYS 13 2HE LYS 13 -5.903 -1.932 4.170 144 2HE LYS 13 1HE LYS 13 -7.455 -1.950 3.326 145 1HZ LYS 13 2HZ LYS 13 -7.866 -4.149 4.274 146 2HZ LYS 13 1HZ LYS 13 -6.441 -4.076 5.136 147 3HZ LYS 13 3HZ LYS 13 -7.681 -2.987 5.499 148 QB LYS 13 QB LYS 13 -4.303 -3.211 0.184 149 QD LYS 13 QD LYS 13 -5.986 -3.944 2.573 150 QG LYS 13 QG LYS 13 -5.607 -1.810 1.429 151 QE LYS 13 QE LYS 13 -6.679 -1.941 3.748 152 QZ LYS 13 QZ LYS 13 -7.330 -3.737 4.970 153 H LYS 14 H LYS 14 -5.556 -3.560 -2.711 154 HA LYS 14 HA LYS 14 -7.820 -1.875 -2.853 155 1HB LYS 14 2HB LYS 14 -7.252 -1.524 -5.205 156 2HB LYS 14 1HB LYS 14 -5.835 -1.386 -4.188 157 1HG LYS 14 2HG LYS 14 -5.391 -3.833 -4.840 158 2HG LYS 14 1HG LYS 14 -6.557 -3.542 -6.131 159 1HD LYS 14 2HD LYS 14 -4.020 -1.962 -5.645 160 2HD LYS 14 1HD LYS 14 -4.249 -3.157 -6.911 161 1HE LYS 14 2HE LYS 14 -6.029 -1.727 -7.880 162 2HE LYS 14 1HE LYS 14 -5.726 -0.566 -6.586 163 1HZ LYS 14 3HZ LYS 14 -3.709 -1.373 -8.620 164 2HZ LYS 14 2HZ LYS 14 -4.606 0.055 -8.625 165 3HZ LYS 14 1HZ LYS 14 -3.506 -0.223 -7.394 166 QB LYS 14 QB LYS 14 -6.544 -1.455 -4.696 167 QD LYS 14 QD LYS 14 -4.135 -2.560 -6.278 168 QG LYS 14 QG LYS 14 -5.974 -3.687 -5.485 169 QE LYS 14 QE LYS 14 -5.877 -1.147 -7.233 170 QZ LYS 14 QZ LYS 14 -3.941 -0.514 -8.213 171 H LYS 15 H LYS 15 -7.351 -5.240 -3.718 172 HA LYS 15 HA LYS 15 -9.853 -5.384 -5.054 173 1HB LYS 15 2HB LYS 15 -9.705 -7.770 -4.943 174 2HB LYS 15 1HB LYS 15 -8.176 -7.073 -5.459 175 1HG LYS 15 2HG LYS 15 -7.264 -7.382 -3.303 176 2HG LYS 15 1HG LYS 15 -8.803 -8.008 -2.712 177 1HD LYS 15 2HD LYS 15 -7.179 -9.220 -4.927 178 2HD LYS 15 1HD LYS 15 -7.226 -9.641 -3.201 179 1HE LYS 15 2HE LYS 15 -9.566 -10.246 -3.353 180 2HE LYS 15 1HE LYS 15 -9.627 -9.735 -5.039 181 1HZ LYS 15 1HZ LYS 15 -8.007 -11.982 -3.986 182 2HZ LYS 15 3HZ LYS 15 -9.484 -12.114 -4.775 183 3HZ LYS 15 2HZ LYS 15 -8.144 -11.532 -5.612 184 QB LYS 15 QB LYS 15 -8.940 -7.421 -5.201 185 QD LYS 15 QD LYS 15 -7.202 -9.431 -4.064 186 QG LYS 15 QG LYS 15 -8.033 -7.695 -3.008 187 QE LYS 15 QE LYS 15 -9.596 -9.991 -4.196 188 QZ LYS 15 QZ LYS 15 -8.545 -11.876 -4.791 189 H GLU 16 H GLU 16 -8.855 -5.705 -1.738 190 HA GLU 16 HA GLU 16 -11.298 -6.641 -0.688 191 1HB GLU 16 2HB GLU 16 -9.279 -6.786 0.638 192 2HB GLU 16 1HB GLU 16 -9.043 -5.048 0.555 193 1HG GLU 16 2HG GLU 16 -11.005 -4.690 1.933 194 2HG GLU 16 1HG GLU 16 -11.325 -6.423 1.958 195 QB GLU 16 QB GLU 16 -9.161 -5.917 0.597 196 QG GLU 16 QG GLU 16 -11.165 -5.557 1.945 197 H LEU 17 H LEU 17 -9.966 -3.442 -1.273 198 HA LEU 17 HA LEU 17 -12.019 -1.928 -0.170 199 1HB LEU 17 2HB LEU 17 -9.889 -0.945 -0.870 200 2HB LEU 17 1HB LEU 17 -10.285 -1.257 -2.548 201 HG LEU 17 HG LEU 17 -12.214 0.297 -2.351 202 1HD1 LEU 17 1HD1 LEU 17 -11.036 0.853 0.348 203 2HD1 LEU 17 3HD1 LEU 17 -12.278 1.818 -0.434 204 3HD1 LEU 17 2HD1 LEU 17 -12.626 0.148 0.022 205 1HD2 LEU 17 3HD2 LEU 17 -10.066 1.078 -3.231 206 2HD2 LEU 17 2HD2 LEU 17 -10.905 2.349 -2.332 207 3HD2 LEU 17 1HD2 LEU 17 -9.562 1.477 -1.588 208 MD1 LEU 17 QD1 LEU 17 -11.980 0.940 -0.021 209 MD2 LEU 17 QD2 LEU 17 -10.178 1.635 -2.384 210 QB LEU 17 QB LEU 17 -10.087 -1.101 -1.709 211 QD LEU 17 QQD LEU 17 -11.079 1.287 -1.202 212 H ILE 18 H ILE 18 -11.577 -2.984 -3.536 213 HA ILE 18 HA ILE 18 -13.890 -1.901 -4.647 214 HB ILE 18 HB ILE 18 -12.471 -4.481 -5.406 215 1HG1 ILE 18 2HG1 ILE 18 -12.225 -1.703 -6.576 216 2HG1 ILE 18 1HG1 ILE 18 -11.096 -2.390 -5.416 217 1HG2 ILE 18 3HG2 ILE 18 -14.726 -4.428 -6.365 218 2HG2 ILE 18 2HG2 ILE 18 -14.419 -2.823 -7.030 219 3HG2 ILE 18 1HG2 ILE 18 -13.506 -4.210 -7.623 220 1HD1 ILE 18 1HD1 ILE 18 -11.650 -3.445 -8.179 221 2HD1 ILE 18 3HD1 ILE 18 -10.240 -2.506 -7.684 222 3HD1 ILE 18 2HD1 ILE 18 -10.500 -4.122 -7.025 223 MG ILE 18 QG2 ILE 18 -14.217 -3.820 -7.006 224 MD ILE 18 QD1 ILE 18 -10.797 -3.357 -7.629 225 QG ILE 18 QG1 ILE 18 -11.660 -2.046 -5.996 226 H TYR 19 H TYR 19 -13.421 -5.020 -3.125 227 HA TYR 19 HA TYR 19 -15.922 -6.204 -3.422 228 1HB TYR 19 2HB TYR 19 -13.903 -7.326 -2.607 229 2HB TYR 19 1HB TYR 19 -13.917 -6.336 -1.163 230 HD1 TYR 19 1HD TYR 19 -15.247 -6.953 0.719 231 HD2 TYR 19 2HD TYR 19 -15.587 -9.088 -2.931 232 HE1 TYR 19 1HE TYR 19 -16.472 -8.727 1.888 233 HE2 TYR 19 2HE TYR 19 -16.822 -10.874 -1.775 234 HH TYR 19 HH TYR 19 -17.165 -11.752 0.377 235 QB TYR 19 QB TYR 19 -13.910 -6.831 -1.885 236 QD TYR 19 QD TYR 19 -15.417 -8.021 -1.106 237 QE TYR 19 QE TYR 19 -16.647 -9.800 0.056 238 QR TYR 19 QR TYR 19 -16.032 -8.911 -0.525 239 H LEU 20 H LEU 20 -14.693 -4.131 -0.826 240 HA LEU 20 HA LEU 20 -17.160 -4.107 0.586 241 1HB LEU 20 2HB LEU 20 -14.716 -2.372 0.897 242 2HB LEU 20 1HB LEU 20 -16.068 -2.413 2.017 243 HG LEU 20 HG LEU 20 -14.245 -4.747 1.406 244 1HD1 LEU 20 1HD1 LEU 20 -14.408 -2.978 3.824 245 2HD1 LEU 20 3HD1 LEU 20 -13.411 -4.422 3.665 246 3HD1 LEU 20 2HD1 LEU 20 -13.100 -3.017 2.645 247 1HD2 LEU 20 2HD2 LEU 20 -16.455 -4.451 3.437 248 2HD2 LEU 20 1HD2 LEU 20 -16.490 -5.488 2.010 249 3HD2 LEU 20 3HD2 LEU 20 -15.353 -5.819 3.317 250 MD1 LEU 20 QD1 LEU 20 -13.640 -3.472 3.378 251 MD2 LEU 20 QD2 LEU 20 -16.099 -5.253 2.922 252 QB LEU 20 QB LEU 20 -15.392 -2.393 1.457 253 QD LEU 20 QQD LEU 20 -14.869 -4.362 3.150 254 H VAL 21 H VAL 21 -15.690 -2.028 -1.789 255 HA VAL 21 HA VAL 21 -17.403 0.170 -1.602 256 HB VAL 21 HB VAL 21 -15.948 -0.969 -4.020 257 1HG1 VAL 21 2HG1 VAL 21 -17.501 1.618 -3.851 258 2HG1 VAL 21 1HG1 VAL 21 -16.421 1.166 -5.176 259 3HG1 VAL 21 3HG1 VAL 21 -17.888 0.236 -4.866 260 1HG2 VAL 21 3HG2 VAL 21 -14.542 -0.017 -2.269 261 2HG2 VAL 21 2HG2 VAL 21 -14.504 0.987 -3.720 262 3HG2 VAL 21 1HG2 VAL 21 -15.467 1.483 -2.330 263 MG1 VAL 21 QG1 VAL 21 -17.270 1.007 -4.631 264 MG2 VAL 21 QG2 VAL 21 -14.838 0.818 -2.773 265 QG VAL 21 QQG VAL 21 -16.054 0.912 -3.702 266 H GLU 22 H GLU 22 -17.798 -2.850 -3.405 267 HA GLU 22 HA GLU 22 -20.230 -2.168 -4.642 268 1HB GLU 22 2HB GLU 22 -19.346 -4.919 -3.774 269 2HB GLU 22 1HB GLU 22 -20.618 -4.567 -4.928 270 1HG GLU 22 2HG GLU 22 -18.837 -3.481 -6.352 271 2HG GLU 22 1HG GLU 22 -17.661 -4.188 -5.245 272 QB GLU 22 QB GLU 22 -19.982 -4.743 -4.351 273 QG GLU 22 QG GLU 22 -18.249 -3.835 -5.799 274 H LYS 23 H LYS 23 -19.521 -3.642 -1.536 275 HA LYS 23 HA LYS 23 -22.318 -4.079 -1.019 276 1HB LYS 23 2HB LYS 23 -19.971 -4.510 0.808 277 2HB LYS 23 1HB LYS 23 -21.621 -5.033 1.112 278 1HG LYS 23 2HG LYS 23 -21.505 -6.429 -0.924 279 2HG LYS 23 1HG LYS 23 -19.812 -5.970 -1.097 280 1HD LYS 23 2HD LYS 23 -19.353 -6.931 1.123 281 2HD LYS 23 1HD LYS 23 -21.036 -7.440 1.236 282 1HE LYS 23 2HE LYS 23 -18.988 -8.358 -0.782 283 2HE LYS 23 1HE LYS 23 -19.675 -9.303 0.531 284 1HZ LYS 23 2HZ LYS 23 -21.852 -9.120 -0.569 285 2HZ LYS 23 1HZ LYS 23 -21.130 -8.262 -1.828 286 3HZ LYS 23 3HZ LYS 23 -20.700 -9.858 -1.556 287 QB LYS 23 QB LYS 23 -20.796 -4.772 0.960 288 QD LYS 23 QD LYS 23 -20.194 -7.186 1.180 289 QG LYS 23 QG LYS 23 -20.658 -6.200 -1.010 290 QE LYS 23 QE LYS 23 -19.332 -8.831 -0.125 291 QZ LYS 23 QZ LYS 23 -21.227 -9.080 -1.318 292 H TYR 24 H TYR 24 -19.863 -1.875 0.351 293 HA TYR 24 HA TYR 24 -21.953 -0.842 2.103 294 1HB TYR 24 2HB TYR 24 -18.964 -0.572 2.309 295 2HB TYR 24 1HB TYR 24 -20.110 0.183 3.415 296 HD1 TYR 24 1HD TYR 24 -18.475 -2.903 2.445 297 HD2 TYR 24 2HD TYR 24 -21.537 -1.217 4.860 298 HE1 TYR 24 1HE TYR 24 -18.609 -4.993 3.727 299 HE2 TYR 24 2HE TYR 24 -21.673 -3.297 6.157 300 HH TYR 24 HH TYR 24 -21.156 -5.687 5.821 301 QB TYR 24 QB TYR 24 -19.537 -0.195 2.862 302 QD TYR 24 QD TYR 24 -20.006 -2.060 3.652 303 QE TYR 24 QE TYR 24 -20.141 -4.145 4.942 304 QR TYR 24 QR TYR 24 -20.074 -3.102 4.297 305 H GLY 25 H GLY 25 -19.959 0.235 -0.556 306 1HA GLY 25 1HA GLY 25 -20.926 2.938 -0.033 307 2HA GLY 25 2HA GLY 25 -21.381 2.148 -1.532 308 QA GLY 25 QA GLY 25 -21.154 2.543 -0.782 309 H PHE 26 H PHE 26 -20.301 4.194 -2.191 310 HA PHE 26 HA PHE 26 -17.665 3.483 -3.174 311 1HB PHE 26 2HB PHE 26 -19.393 5.892 -3.769 312 2HB PHE 26 1HB PHE 26 -17.935 5.423 -4.629 313 HD1 PHE 26 1HD PHE 26 -17.949 3.562 -6.176 314 HD2 PHE 26 2HD PHE 26 -21.476 4.711 -4.101 315 HE1 PHE 26 1HE PHE 26 -19.308 2.222 -7.730 316 HE2 PHE 26 2HE PHE 26 -22.830 3.366 -5.651 317 HZ PHE 26 HZ PHE 26 -21.746 2.123 -7.458 318 QB PHE 26 QB PHE 26 -18.664 5.658 -4.199 319 QD PHE 26 QD PHE 26 -19.713 4.136 -5.138 320 QE PHE 26 QE PHE 26 -21.069 2.794 -6.690 321 QR PHE 26 QR PHE 26 -20.662 3.197 -6.223 322 H THR 27 H THR 27 -19.128 5.488 -0.808 323 HA THR 27 HA THR 27 -16.598 6.284 0.121 324 HB THR 27 HB THR 27 -16.923 8.140 -1.367 325 HG1 THR 27 1HG THR 27 -16.623 9.696 -0.004 326 1HG2 THR 27 1HG2 THR 27 -19.323 7.973 -1.794 327 2HG2 THR 27 3HG2 THR 27 -19.662 8.530 -0.154 328 3HG2 THR 27 2HG2 THR 27 -18.901 9.621 -1.311 329 MG THR 27 QG2 THR 27 -19.296 8.708 -1.086 330 H HIS 28 H HIS 28 -16.763 5.464 1.914 331 HA HIS 28 HA HIS 28 -18.815 6.235 3.811 332 1HB HIS 28 2HB HIS 28 -19.667 4.155 2.732 333 2HB HIS 28 1HB HIS 28 -18.158 3.348 3.118 334 HD1 HIS 28 1HD HIS 28 -21.188 4.846 4.924 335 HD2 HIS 28 2HD HIS 28 -18.143 2.068 5.474 336 HE1 HIS 28 1HE HIS 28 -21.712 3.650 7.051 337 QB HIS 28 QB HIS 28 -18.912 3.751 2.925 338 H HIS 29 H HIS 29 -18.026 5.740 6.026 339 HA HIS 29 HA HIS 29 -15.467 6.560 6.569 340 1HB HIS 29 2HB HIS 29 -17.102 4.703 8.315 341 2HB HIS 29 1HB HIS 29 -15.693 5.602 8.852 342 HD1 HIS 29 1HD HIS 29 -16.024 8.321 8.814 343 HD2 HIS 29 2HD HIS 29 -19.450 5.994 8.513 344 HE1 HIS 29 1HE HIS 29 -17.950 9.852 9.322 345 QB HIS 29 QB HIS 29 -16.397 5.153 8.583 346 H LYS 30 H LYS 30 -16.506 3.176 6.559 347 HA LYS 30 HA LYS 30 -14.035 1.962 7.067 348 1HB LYS 30 2HB LYS 30 -16.297 0.946 5.320 349 2HB LYS 30 1HB LYS 30 -14.950 -0.024 5.874 350 1HG LYS 30 2HG LYS 30 -17.003 1.270 7.662 351 2HG LYS 30 1HG LYS 30 -16.992 -0.423 7.165 352 1HD LYS 30 2HD LYS 30 -14.750 -0.645 8.230 353 2HD LYS 30 1HD LYS 30 -14.925 1.003 8.834 354 1HE LYS 30 2HE LYS 30 -16.736 -1.331 9.466 355 2HE LYS 30 1HE LYS 30 -15.533 -0.626 10.538 356 1HZ LYS 30 3HZ LYS 30 -16.814 1.448 10.526 357 2HZ LYS 30 2HZ LYS 30 -17.961 0.758 9.511 358 3HZ LYS 30 1HZ LYS 30 -17.754 0.152 11.055 359 QB LYS 30 QB LYS 30 -15.624 0.461 5.597 360 QD LYS 30 QD LYS 30 -14.837 0.179 8.532 361 QG LYS 30 QG LYS 30 -16.998 0.424 7.413 362 QE LYS 30 QE LYS 30 -16.134 -0.978 10.002 363 QZ LYS 30 QZ LYS 30 -17.510 0.786 10.364 364 H VAL 31 H VAL 31 -15.602 2.595 3.990 365 HA VAL 31 HA VAL 31 -13.683 1.622 2.249 366 HB VAL 31 HB VAL 31 -15.685 3.862 1.820 367 1HG1 VAL 31 2HG1 VAL 31 -13.944 3.856 0.080 368 2HG1 VAL 31 1HG1 VAL 31 -14.295 2.159 -0.241 369 3HG1 VAL 31 3HG1 VAL 31 -15.523 3.386 -0.559 370 1HG2 VAL 31 3HG2 VAL 31 -16.711 1.776 2.559 371 2HG2 VAL 31 2HG2 VAL 31 -17.113 2.100 0.873 372 3HG2 VAL 31 1HG2 VAL 31 -15.879 0.903 1.278 373 MG1 VAL 31 QG1 VAL 31 -14.587 3.133 -0.240 374 MG2 VAL 31 QG2 VAL 31 -16.568 1.593 1.570 375 QG VAL 31 QQG VAL 31 -15.578 2.363 0.665 376 H ILE 32 H ILE 32 -14.098 4.948 3.447 377 HA ILE 32 HA ILE 32 -11.974 6.079 1.988 378 HB ILE 32 HB ILE 32 -13.163 6.994 4.631 379 1HG1 ILE 32 2HG1 ILE 32 -13.723 7.919 1.802 380 2HG1 ILE 32 1HG1 ILE 32 -14.752 6.830 2.726 381 1HG2 ILE 32 1HG2 ILE 32 -11.426 8.530 2.677 382 2HG2 ILE 32 3HG2 ILE 32 -12.219 9.215 4.094 383 3HG2 ILE 32 2HG2 ILE 32 -10.951 8.006 4.287 384 1HD1 ILE 32 3HD1 ILE 32 -14.115 9.690 3.413 385 2HD1 ILE 32 2HD1 ILE 32 -15.621 9.094 2.716 386 3HD1 ILE 32 1HD1 ILE 32 -15.155 8.613 4.350 387 MG ILE 32 QG2 ILE 32 -11.532 8.584 3.686 388 MD ILE 32 QD1 ILE 32 -14.964 9.132 3.493 389 QG ILE 32 QG1 ILE 32 -14.237 7.375 2.264 390 H SER 33 H SER 33 -12.060 4.592 5.179 391 HA SER 33 HA SER 33 -9.433 5.236 5.954 392 1HB SER 33 2HB SER 33 -11.102 2.837 6.754 393 2HB SER 33 1HB SER 33 -9.674 3.430 7.610 394 HG SER 33 HG SER 33 -12.137 4.817 7.228 395 QB SER 33 QB SER 33 -10.388 3.134 7.182 396 H PHE 34 H PHE 34 -10.708 2.525 4.064 397 HA PHE 34 HA PHE 34 -8.155 1.218 3.903 398 1HB PHE 34 2HB PHE 34 -10.642 0.787 2.247 399 2HB PHE 34 1HB PHE 34 -9.228 -0.267 2.234 400 HD1 PHE 34 1HD PHE 34 -8.569 -0.891 4.857 401 HD2 PHE 34 2HD PHE 34 -12.419 -0.055 3.296 402 HE1 PHE 34 1HE PHE 34 -9.580 -2.194 6.682 403 HE2 PHE 34 2HE PHE 34 -13.451 -1.339 5.113 404 HZ PHE 34 HZ PHE 34 -12.032 -2.417 6.818 405 QB PHE 34 QB PHE 34 -9.935 0.260 2.241 406 QD PHE 34 QD PHE 34 -10.494 -0.473 4.076 407 QE PHE 34 QE PHE 34 -11.516 -1.766 5.897 408 QR PHE 34 QR PHE 34 -11.210 -1.379 5.353 409 H SER 35 H SER 35 -9.905 3.545 2.003 410 HA SER 35 HA SER 35 -8.353 3.375 -0.350 411 1HB SER 35 2HB SER 35 -9.913 5.698 0.764 412 2HB SER 35 1HB SER 35 -9.351 5.542 -0.898 413 HG SER 35 HG SER 35 -11.175 3.778 0.404 414 QB SER 35 QB SER 35 -9.632 5.620 -0.067 415 H GLN 36 H GLN 36 -8.161 5.413 2.551 416 HA GLN 36 HA GLN 36 -5.968 6.953 1.666 417 1HB GLN 36 2HB GLN 36 -6.856 6.340 4.487 418 2HB GLN 36 1HB GLN 36 -5.677 7.562 4.039 419 1HG GLN 36 2HG GLN 36 -8.556 7.546 3.173 420 2HG GLN 36 1HG GLN 36 -7.910 8.473 4.520 421 1HE2 GLN 36 1HE2 GLN 36 -8.499 10.404 3.639 422 2HE2 GLN 36 2HE2 GLN 36 -7.758 11.093 2.246 423 QB GLN 36 QB GLN 36 -6.266 6.951 4.263 424 QG GLN 36 QG GLN 36 -8.233 8.009 3.847 425 QE GLN 36 QE2 GLN 36 -8.128 10.749 2.943 426 H GLU 37 H GLU 37 -6.245 3.840 3.158 427 HA GLU 37 HA GLU 37 -3.556 3.512 3.925 428 1HB GLU 37 2HB GLU 37 -5.617 2.105 4.557 429 2HB GLU 37 1HB GLU 37 -5.402 1.319 2.999 430 1HG GLU 37 2HG GLU 37 -4.377 -0.004 4.691 431 2HG GLU 37 1HG GLU 37 -3.115 0.715 3.675 432 QB GLU 37 QB GLU 37 -5.509 1.712 3.778 433 QG GLU 37 QG GLU 37 -3.746 0.355 4.183 434 H LEU 38 H LEU 38 -5.419 2.735 1.006 435 HA LEU 38 HA LEU 38 -3.327 1.600 -0.483 436 1HB LEU 38 2HB LEU 38 -5.842 2.979 -1.312 437 2HB LEU 38 1HB LEU 38 -4.705 2.331 -2.476 438 HG LEU 38 HG LEU 38 -6.141 0.704 -0.379 439 1HD1 LEU 38 2HD1 LEU 38 -7.550 1.685 -2.163 440 2HD1 LEU 38 1HD1 LEU 38 -6.550 0.872 -3.355 441 3HD1 LEU 38 3HD1 LEU 38 -7.491 -0.074 -2.191 442 1HD2 LEU 38 1HD2 LEU 38 -4.332 -0.027 -2.676 443 2HD2 LEU 38 3HD2 LEU 38 -3.980 -0.242 -0.960 444 3HD2 LEU 38 2HD2 LEU 38 -5.272 -1.173 -1.723 445 MD1 LEU 38 QD1 LEU 38 -7.197 0.828 -2.570 446 MD2 LEU 38 QD2 LEU 38 -4.528 -0.480 -1.786 447 QB LEU 38 QB LEU 38 -5.273 2.655 -1.894 448 QD LEU 38 QQD LEU 38 -5.862 0.174 -2.178 449 H ASP 39 H ASP 39 -4.477 4.892 -0.248 450 HA ASP 39 HA ASP 39 -2.816 6.089 -2.162 451 1HB ASP 39 2HB ASP 39 -4.674 7.237 -0.937 452 2HB ASP 39 1HB ASP 39 -3.655 7.275 0.495 453 QB ASP 39 QB ASP 39 -4.165 7.256 -0.221 454 H ARG 40 H ARG 40 -2.296 5.387 1.210 455 HA ARG 40 HA ARG 40 0.309 6.421 1.536 456 1HB ARG 40 2HB ARG 40 -1.176 5.956 3.389 457 2HB ARG 40 1HB ARG 40 -1.217 4.259 2.971 458 1HG ARG 40 2HG ARG 40 1.190 4.112 3.522 459 2HG ARG 40 1HG ARG 40 1.127 5.799 4.057 460 1HD ARG 40 2HD ARG 40 -0.565 5.252 5.685 461 2HD ARG 40 1HD ARG 40 -0.615 3.587 5.112 462 HE ARG 40 HE ARG 40 1.832 4.720 6.222 463 1HH1 ARG 40 1HH1 ARG 40 -0.791 2.293 6.373 464 2HH1 ARG 40 2HH1 ARG 40 -0.089 1.409 7.623 465 1HH2 ARG 40 1HH2 ARG 40 2.792 3.471 8.017 466 2HH2 ARG 40 2HH2 ARG 40 1.983 2.102 8.585 467 QB ARG 40 QB ARG 40 -1.196 5.108 3.180 468 QG ARG 40 QG ARG 40 1.158 4.956 3.789 469 QD ARG 40 QD ARG 40 -0.590 4.420 5.399 470 QH1 ARG 40 QH1 ARG 40 -0.440 1.851 6.998 471 QH2 ARG 40 QH2 ARG 40 2.387 2.787 8.301 472 H LEU 41 H LEU 41 -0.884 3.138 0.851 473 HA LEU 41 HA LEU 41 1.676 1.930 0.769 474 1HB LEU 41 2HB LEU 41 -0.851 0.951 -0.572 475 2HB LEU 41 1HB LEU 41 0.606 0.027 -0.241 476 HG LEU 41 HG LEU 41 -1.265 1.140 1.836 477 1HD1 LEU 41 2HD1 LEU 41 -0.808 -1.684 0.909 478 2HD1 LEU 41 1HD1 LEU 41 -1.821 -1.198 2.267 479 3HD1 LEU 41 3HD1 LEU 41 -2.248 -0.707 0.626 480 1HD2 LEU 41 1HD2 LEU 41 1.190 -0.595 2.133 481 2HD2 LEU 41 3HD2 LEU 41 1.031 1.087 2.648 482 3HD2 LEU 41 2HD2 LEU 41 0.065 -0.164 3.422 483 MD1 LEU 41 QD1 LEU 41 -1.626 -1.196 1.267 484 MD2 LEU 41 QD2 LEU 41 0.762 0.109 2.735 485 QB LEU 41 QB LEU 41 -0.122 0.489 -0.407 486 QD LEU 41 QQD LEU 41 -0.432 -0.544 2.001 487 H LEU 42 H LEU 42 -0.424 3.189 -1.766 488 HA LEU 42 HA LEU 42 1.168 2.640 -4.004 489 1HB LEU 42 2HB LEU 42 -1.121 3.497 -4.149 490 2HB LEU 42 1HB LEU 42 -0.606 5.018 -3.447 491 HG LEU 42 HG LEU 42 0.861 5.331 -5.469 492 1HD1 LEU 42 3HD1 LEU 42 -0.738 3.020 -6.532 493 2HD1 LEU 42 2HD1 LEU 42 0.302 4.078 -7.485 494 3HD1 LEU 42 1HD1 LEU 42 0.999 3.054 -6.232 495 1HD2 LEU 42 1HD2 LEU 42 -2.120 5.165 -5.881 496 2HD2 LEU 42 3HD2 LEU 42 -1.215 6.525 -5.209 497 3HD2 LEU 42 2HD2 LEU 42 -0.990 6.066 -6.894 498 MD1 LEU 42 QD1 LEU 42 0.188 3.384 -6.750 499 MD2 LEU 42 QD2 LEU 42 -1.442 5.919 -5.994 500 QB LEU 42 QB LEU 42 -0.864 4.257 -3.798 501 QD LEU 42 QQD LEU 42 -0.627 4.651 -6.372 502 H ASN 43 H ASN 43 1.336 5.155 -1.589 503 HA ASN 43 HA ASN 43 3.175 6.849 -2.930 504 1HB ASN 43 2HB ASN 43 1.656 7.387 -0.908 505 2HB ASN 43 1HB ASN 43 2.920 6.648 0.054 506 1HD2 ASN 43 1HD2 ASN 43 2.064 9.319 -1.939 507 2HD2 ASN 43 2HD2 ASN 43 3.411 10.310 -1.532 508 QB ASN 43 QB ASN 43 2.288 7.017 -0.427 509 QD ASN 43 QD2 ASN 43 2.737 9.814 -1.735 510 H LEU 44 H LEU 44 3.467 4.022 -0.974 511 HA LEU 44 HA LEU 44 6.227 4.240 -0.423 512 1HB LEU 44 2HB LEU 44 4.525 1.748 -0.604 513 2HB LEU 44 1HB LEU 44 6.115 1.856 0.131 514 HG LEU 44 HG LEU 44 3.619 3.230 1.127 515 1HD1 LEU 44 3HD1 LEU 44 5.153 0.890 2.234 516 2HD1 LEU 44 2HD1 LEU 44 3.806 1.707 3.026 517 3HD1 LEU 44 1HD1 LEU 44 3.549 0.843 1.508 518 1HD2 LEU 44 2HD2 LEU 44 6.402 3.149 2.289 519 2HD2 LEU 44 1HD2 LEU 44 5.603 4.560 1.597 520 3HD2 LEU 44 3HD2 LEU 44 4.978 3.830 3.075 521 MD1 LEU 44 QD1 LEU 44 4.170 1.147 2.256 522 MD2 LEU 44 QD2 LEU 44 5.661 3.847 2.320 523 QB LEU 44 QB LEU 44 5.320 1.802 -0.236 524 QD LEU 44 QQD LEU 44 4.915 2.497 2.288 525 H LEU 45 H LEU 45 4.397 3.029 -3.151 526 HA LEU 45 HA LEU 45 6.666 1.942 -4.523 527 1HB LEU 45 2HB LEU 45 4.051 2.956 -5.655 528 2HB LEU 45 1HB LEU 45 5.247 2.049 -6.553 529 HG LEU 45 HG LEU 45 3.583 1.025 -4.254 530 1HD1 LEU 45 2HD1 LEU 45 3.540 0.392 -7.200 531 2HD1 LEU 45 1HD1 LEU 45 2.570 -0.404 -5.964 532 3HD1 LEU 45 3HD1 LEU 45 2.324 1.307 -6.309 533 1HD2 LEU 45 1HD2 LEU 45 5.636 -0.405 -5.953 534 2HD2 LEU 45 3HD2 LEU 45 5.797 -0.016 -4.238 535 3HD2 LEU 45 2HD2 LEU 45 4.572 -1.167 -4.772 536 MD1 LEU 45 QD1 LEU 45 2.811 0.432 -6.491 537 MD2 LEU 45 QD2 LEU 45 5.335 -0.529 -4.988 538 QB LEU 45 QB LEU 45 4.649 2.503 -6.104 539 QD LEU 45 QQD LEU 45 4.073 -0.049 -5.739 540 H ILE 46 H ILE 46 5.145 5.060 -4.274 541 HA ILE 46 HA ILE 46 6.619 6.374 -6.297 542 HB ILE 46 HB ILE 46 5.235 7.485 -3.829 543 1HG1 ILE 46 2HG1 ILE 46 4.322 7.334 -6.711 544 2HG1 ILE 46 1HG1 ILE 46 3.761 6.298 -5.408 545 1HG2 ILE 46 2HG2 ILE 46 6.907 9.069 -4.626 546 2HG2 ILE 46 1HG2 ILE 46 6.241 8.980 -6.253 547 3HG2 ILE 46 3HG2 ILE 46 5.278 9.672 -4.942 548 1HD1 ILE 46 3HD1 ILE 46 2.817 8.268 -4.290 549 2HD1 ILE 46 2HD1 ILE 46 3.357 9.266 -5.639 550 3HD1 ILE 46 1HD1 ILE 46 2.147 8.010 -5.901 551 MG ILE 46 QG2 ILE 46 6.142 9.240 -5.273 552 MD ILE 46 QD1 ILE 46 2.774 8.515 -5.277 553 QG ILE 46 QG1 ILE 46 4.041 6.816 -6.059 554 H GLU 47 H GLU 47 7.280 5.522 -3.029 555 HA GLU 47 HA GLU 47 9.534 7.120 -2.562 556 1HB GLU 47 2HB GLU 47 8.261 5.651 -0.912 557 2HB GLU 47 1HB GLU 47 9.166 4.294 -1.568 558 1HG GLU 47 2HG GLU 47 10.237 5.044 0.438 559 2HG GLU 47 1HG GLU 47 11.253 5.462 -0.946 560 QB GLU 47 QB GLU 47 8.714 4.972 -1.240 561 QG GLU 47 QG GLU 47 10.745 5.253 -0.254 562 H LEU 48 H LEU 48 9.160 3.934 -4.080 563 HA LEU 48 HA LEU 48 11.902 3.558 -4.686 564 1HB LEU 48 2HB LEU 48 9.407 2.390 -5.926 565 2HB LEU 48 1HB LEU 48 10.988 2.039 -6.578 566 HG LEU 48 HG LEU 48 10.274 0.197 -5.236 567 1HD1 LEU 48 2HD1 LEU 48 12.618 0.682 -5.157 568 2HD1 LEU 48 1HD1 LEU 48 12.383 1.730 -3.757 569 3HD1 LEU 48 3HD1 LEU 48 12.065 0.001 -3.628 570 1HD2 LEU 48 2HD2 LEU 48 9.946 2.130 -2.946 571 2HD2 LEU 48 1HD2 LEU 48 8.648 1.295 -3.798 572 3HD2 LEU 48 3HD2 LEU 48 9.805 0.376 -2.837 573 MD1 LEU 48 QD1 LEU 48 12.355 0.804 -4.180 574 MD2 LEU 48 QD2 LEU 48 9.466 1.267 -3.194 575 QB LEU 48 QB LEU 48 10.197 2.215 -6.252 576 QD LEU 48 QQD LEU 48 10.911 1.035 -3.687 577 H LYS 49 H LYS 49 9.293 5.137 -6.383 578 HA LYS 49 HA LYS 49 10.659 5.762 -8.773 579 1HB LYS 49 2HB LYS 49 8.447 7.258 -7.351 580 2HB LYS 49 1HB LYS 49 9.029 7.671 -8.948 581 1HG LYS 49 2HG LYS 49 8.281 5.524 -9.804 582 2HG LYS 49 1HG LYS 49 7.759 5.044 -8.187 583 1HD LYS 49 2HD LYS 49 6.089 6.789 -8.146 584 2HD LYS 49 1HD LYS 49 6.710 7.470 -9.641 585 1HE LYS 49 2HE LYS 49 5.483 4.732 -9.377 586 2HE LYS 49 1HE LYS 49 4.625 6.171 -9.919 587 1HZ LYS 49 2HZ LYS 49 6.184 6.330 -11.788 588 2HZ LYS 49 1HZ LYS 49 6.978 4.952 -11.282 589 3HZ LYS 49 3HZ LYS 49 5.377 4.849 -11.786 590 QB LYS 49 QB LYS 49 8.738 7.465 -8.150 591 QD LYS 49 QD LYS 49 6.400 7.130 -8.893 592 QG LYS 49 QG LYS 49 8.020 5.284 -8.995 593 QE LYS 49 QE LYS 49 5.054 5.451 -9.648 594 QZ LYS 49 QZ LYS 49 6.180 5.377 -11.619 595 H THR 50 H THR 50 10.600 7.282 -5.640 596 HA THR 50 HA THR 50 12.019 9.635 -6.391 597 HB THR 50 HB THR 50 11.665 8.382 -3.653 598 HG1 THR 50 1HG THR 50 9.733 8.987 -4.957 599 1HG2 THR 50 1HG2 THR 50 13.466 10.087 -3.751 600 2HG2 THR 50 3HG2 THR 50 12.321 11.240 -4.441 601 3HG2 THR 50 2HG2 THR 50 12.095 10.640 -2.797 602 MG THR 50 QG2 THR 50 12.627 10.655 -3.663 603 H LYS 51 H LYS 51 12.921 6.541 -4.915 604 HA LYS 51 HA LYS 51 15.655 7.108 -4.572 605 1HB LYS 51 2HB LYS 51 14.313 4.436 -5.021 606 2HB LYS 51 1HB LYS 51 15.961 4.653 -4.445 607 1HG LYS 51 2HG LYS 51 15.117 5.801 -2.465 608 2HG LYS 51 1HG LYS 51 13.466 5.571 -3.037 609 1HD LYS 51 2HD LYS 51 13.797 3.141 -2.950 610 2HD LYS 51 1HD LYS 51 15.435 3.399 -2.347 611 1HE LYS 51 2HE LYS 51 14.527 4.560 -0.387 612 2HE LYS 51 1HE LYS 51 12.895 4.288 -0.992 613 1HZ LYS 51 2HZ LYS 51 13.290 1.887 -0.806 614 2HZ LYS 51 1HZ LYS 51 14.838 2.193 -0.237 615 3HZ LYS 51 3HZ LYS 51 13.508 2.659 0.673 616 QB LYS 51 QB LYS 51 15.137 4.545 -4.733 617 QD LYS 51 QD LYS 51 14.616 3.270 -2.648 618 QG LYS 51 QG LYS 51 14.291 5.686 -2.751 619 QE LYS 51 QE LYS 51 13.711 4.424 -0.689 620 QZ LYS 51 QZ LYS 51 13.879 2.246 -0.123 621 H LYS 52 H LYS 52 13.810 5.961 -7.251 622 HA LYS 52 HA LYS 52 14.127 5.721 -9.468 623 1HB LYS 52 2HB LYS 52 15.262 7.543 -10.623 624 2HB LYS 52 1HB LYS 52 14.446 8.164 -9.211 625 1HG LYS 52 2HG LYS 52 16.502 8.405 -8.058 626 2HG LYS 52 1HG LYS 52 17.389 7.550 -9.319 627 1HD LYS 52 2HD LYS 52 16.706 9.338 -10.916 628 2HD LYS 52 1HD LYS 52 15.939 10.190 -9.575 629 1HE LYS 52 2HE LYS 52 18.115 10.337 -8.456 630 2HE LYS 52 1HE LYS 52 18.853 9.502 -9.821 631 1HZ LYS 52 2HZ LYS 52 18.199 11.309 -11.249 632 2HZ LYS 52 1HZ LYS 52 17.495 12.149 -9.968 633 3HZ LYS 52 3HZ LYS 52 19.154 11.863 -10.005 634 QB LYS 52 QB LYS 52 14.854 7.853 -9.917 635 QD LYS 52 QD LYS 52 16.323 9.764 -10.245 636 QG LYS 52 QG LYS 52 16.946 7.978 -8.689 637 QE LYS 52 QE LYS 52 18.484 9.919 -9.139 638 QZ LYS 52 QZ LYS 52 18.283 11.774 -10.407 639 H LYS 53 H LYS 53 16.016 4.219 -7.712 640 HA LYS 53 HA LYS 53 18.313 3.883 -9.439 641 1HB LYS 53 2HB LYS 53 19.153 2.426 -7.591 642 2HB LYS 53 1HB LYS 53 18.799 4.111 -7.176 643 1HG LYS 53 2HG LYS 53 16.690 3.448 -6.157 644 2HG LYS 53 1HG LYS 53 16.999 1.767 -6.584 645 1HD LYS 53 2HD LYS 53 18.853 3.375 -4.841 646 2HD LYS 53 1HD LYS 53 17.499 2.457 -4.192 647 1HE LYS 53 2HE LYS 53 19.707 1.272 -5.875 648 2HE LYS 53 1HE LYS 53 19.700 1.264 -4.112 649 1HZ LYS 53 1HZ LYS 53 17.620 -0.003 -4.202 650 2HZ LYS 53 3HZ LYS 53 17.706 -0.076 -5.885 651 3HZ LYS 53 2HZ LYS 53 18.881 -0.811 -4.934 652 QB LYS 53 QB LYS 53 18.976 3.269 -7.384 653 QD LYS 53 QD LYS 53 18.176 2.916 -4.517 654 QG LYS 53 QG LYS 53 16.844 2.607 -6.371 655 QE LYS 53 QE LYS 53 19.703 1.268 -4.993 656 QZ LYS 53 QZ LYS 53 18.069 -0.297 -5.007 657 H ARG 54 H ARG 54 15.298 2.552 -9.331 658 HA ARG 54 HA ARG 54 16.111 -0.159 -9.867 659 1HB ARG 54 2HB ARG 54 13.413 1.126 -10.324 660 2HB ARG 54 1HB ARG 54 13.762 -0.587 -10.454 661 1HG ARG 54 2HG ARG 54 14.418 -0.536 -8.023 662 2HG ARG 54 1HG ARG 54 13.766 1.106 -7.971 663 1HD ARG 54 2HD ARG 54 12.273 -1.408 -8.704 664 2HD ARG 54 1HD ARG 54 12.079 -0.460 -7.229 665 HE ARG 54 HE ARG 54 11.495 1.380 -8.959 666 1HH1 ARG 54 1HH1 ARG 54 10.529 -2.033 -9.137 667 2HH1 ARG 54 2HH1 ARG 54 9.078 -1.727 -9.976 668 1HH2 ARG 54 1HH2 ARG 54 9.463 1.783 -10.120 669 2HH2 ARG 54 2HH2 ARG 54 8.458 0.482 -10.511 670 QB ARG 54 QB ARG 54 13.587 0.270 -10.389 671 QG ARG 54 QG ARG 54 14.092 0.285 -7.997 672 QD ARG 54 QD ARG 54 12.176 -0.934 -7.966 673 QH1 ARG 54 QH1 ARG 54 9.804 -1.880 -9.557 674 QH2 ARG 54 QH2 ARG 54 8.960 1.133 -10.316 675 H TYR 55 H TYR 55 15.491 -1.218 -11.939 676 HA TYR 55 HA TYR 55 17.035 0.006 -13.944 677 1HB TYR 55 2HB TYR 55 15.366 -2.497 -13.937 678 2HB TYR 55 1HB TYR 55 16.299 -1.982 -15.337 679 HD1 TYR 55 1HD TYR 55 16.709 -2.775 -11.689 680 HD2 TYR 55 2HD TYR 55 18.501 -2.667 -15.545 681 HE1 TYR 55 1HE TYR 55 18.698 -3.906 -10.795 682 HE2 TYR 55 2HE TYR 55 20.488 -3.787 -14.657 683 HH TYR 55 HH TYR 55 20.554 -5.255 -11.585 684 QB TYR 55 QB TYR 55 15.833 -2.239 -14.637 685 QD TYR 55 QD TYR 55 17.605 -2.721 -13.617 686 QE TYR 55 QE TYR 55 19.593 -3.846 -12.726 687 QR TYR 55 QR TYR 55 18.599 -3.284 -13.171 688 H SER 56 H SER 56 13.825 0.558 -13.254 689 HA SER 56 HA SER 56 12.742 0.933 -15.843 690 1HB SER 56 2HB SER 56 12.020 2.303 -13.259 691 2HB SER 56 1HB SER 56 10.986 2.075 -14.674 692 HG SER 56 HG SER 56 11.385 -0.246 -14.289 693 QB SER 56 QB SER 56 11.503 2.189 -13.967 694 H LEU 57 H LEU 57 15.002 2.760 -13.983 695 HA LEU 57 HA LEU 57 14.338 5.160 -15.452 696 1HB LEU 57 2HB LEU 57 16.127 4.713 -13.097 697 2HB LEU 57 1HB LEU 57 16.174 6.203 -14.012 698 HG LEU 57 HG LEU 57 14.859 6.543 -12.083 699 1HD1 LEU 57 3HD1 LEU 57 14.097 7.698 -14.045 700 2HD1 LEU 57 2HD1 LEU 57 13.027 6.351 -14.449 701 3HD1 LEU 57 1HD1 LEU 57 12.743 7.292 -12.992 702 1HD2 LEU 57 1HD2 LEU 57 14.223 4.262 -11.539 703 2HD2 LEU 57 3HD2 LEU 57 12.803 5.307 -11.577 704 3HD2 LEU 57 2HD2 LEU 57 13.135 4.220 -12.928 705 MD1 LEU 57 QD1 LEU 57 13.289 7.114 -13.829 706 MD2 LEU 57 QD2 LEU 57 13.387 4.596 -12.015 707 QB LEU 57 QB LEU 57 16.151 5.458 -13.555 708 QD LEU 57 QQD LEU 57 13.338 5.855 -12.922 709 H LEU 58 H LEU 58 16.005 2.614 -16.267 710 HA LEU 58 HA LEU 58 18.357 3.734 -17.431 711 1HB LEU 58 2HB LEU 58 16.642 1.447 -18.411 712 2HB LEU 58 1HB LEU 58 18.260 1.806 -18.971 713 HG LEU 58 HG LEU 58 17.517 0.909 -16.194 714 1HD1 LEU 58 3HD1 LEU 58 18.848 -0.513 -18.476 715 2HD1 LEU 58 2HD1 LEU 58 18.660 -1.149 -16.840 716 3HD1 LEU 58 1HD1 LEU 58 17.234 -0.818 -17.837 717 1HD2 LEU 58 2HD2 LEU 58 20.214 1.395 -17.458 718 2HD2 LEU 58 1HD2 LEU 58 19.480 2.364 -16.182 719 3HD2 LEU 58 3HD2 LEU 58 19.938 0.690 -15.864 720 MD1 LEU 58 QD1 LEU 58 18.247 -0.827 -17.718 721 MD2 LEU 58 QD2 LEU 58 19.877 1.483 -16.501 722 QB LEU 58 QB LEU 58 17.451 1.627 -18.691 723 QD LEU 58 QQD LEU 58 19.062 0.328 -17.110 724 H GLU 59 H GLU 59 15.042 3.694 -18.139 725 HA GLU 59 HA GLU 59 15.492 5.392 -20.444 726 1HB GLU 59 2HB GLU 59 13.161 4.672 -21.125 727 2HB GLU 59 1HB GLU 59 14.396 3.425 -21.214 728 1HG GLU 59 2HG GLU 59 13.623 2.548 -19.057 729 2HG GLU 59 1HG GLU 59 12.311 3.732 -19.066 730 QB GLU 59 QB GLU 59 13.779 4.049 -21.170 731 QG GLU 59 QG GLU 59 12.967 3.140 -19.062 732 H HIS 60 H HIS 60 15.357 7.349 -19.737 733 HA HIS 60 HA HIS 60 14.035 7.985 -17.294 734 1HB HIS 60 2HB HIS 60 15.434 9.763 -19.297 735 2HB HIS 60 1HB HIS 60 14.774 10.328 -17.768 736 HD1 HIS 60 1HD HIS 60 16.256 10.043 -15.706 737 HD2 HIS 60 2HD HIS 60 17.645 7.960 -19.020 738 HE1 HIS 60 1HE HIS 60 18.526 9.162 -15.078 739 QB HIS 60 QB HIS 60 15.104 10.046 -18.532 740 H HIS 61 H HIS 61 12.662 9.950 -17.164 741 HA HIS 61 HA HIS 61 10.338 9.531 -18.792 742 1HB HIS 61 2HB HIS 61 10.954 11.504 -16.576 743 2HB HIS 61 1HB HIS 61 9.406 11.439 -17.401 744 HD1 HIS 61 1HD HIS 61 7.831 9.416 -16.801 745 HD2 HIS 61 2HD HIS 61 11.434 9.490 -14.718 746 HE1 HIS 61 1HE HIS 61 7.569 7.802 -14.906 747 QB HIS 61 QB HIS 61 10.180 11.471 -16.988 748 H HIS 62 H HIS 62 9.238 11.549 -19.736 749 HA HIS 62 HA HIS 62 11.038 12.687 -21.633 750 1HB HIS 62 2HB HIS 62 8.546 12.131 -21.984 751 2HB HIS 62 1HB HIS 62 8.208 13.616 -21.106 752 HD1 HIS 62 1HD HIS 62 8.348 15.790 -22.458 753 HD2 HIS 62 2HD HIS 62 9.840 12.480 -24.458 754 HE1 HIS 62 1HE HIS 62 8.764 16.541 -24.825 755 QB HIS 62 QB HIS 62 8.377 12.874 -21.545 756 H HIS 63 H HIS 63 9.624 13.649 -18.635 757 HA HIS 63 HA HIS 63 10.649 16.337 -18.741 758 1HB HIS 63 2HB HIS 63 9.557 14.729 -16.415 759 2HB HIS 63 1HB HIS 63 10.101 16.393 -16.275 760 HD1 HIS 63 1HD HIS 63 7.066 14.491 -16.725 761 HD2 HIS 63 2HD HIS 63 8.532 18.129 -18.123 762 HE1 HIS 63 1HE HIS 63 5.064 15.823 -17.438 763 QB HIS 63 QB HIS 63 9.829 15.561 -16.345 764 H HIS 64 H HIS 64 12.779 15.854 -19.306 765 HA HIS 64 HA HIS 64 14.440 14.771 -17.141 766 1HB HIS 64 2HB HIS 64 14.491 13.483 -19.312 767 2HB HIS 64 1HB HIS 64 15.122 14.924 -20.097 768 HD1 HIS 64 1HD HIS 64 17.668 15.498 -19.661 769 HD2 HIS 64 2HD HIS 64 16.270 12.120 -17.666 770 HE1 HIS 64 1HE HIS 64 19.698 14.314 -18.780 771 QB HIS 64 QB HIS 64 14.806 14.204 -19.705 No H/Q in entry = 771
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