NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17242 | 2bun | 6692 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 5 3HT LEU 5 -13.005 29.483 -23.275 2 H2 LEU 5 2HT LEU 5 -12.113 30.079 -24.541 3 H3 LEU 5 1HT LEU 5 -13.333 28.920 -24.833 4 HA LEU 5 HA LEU 5 -12.081 27.303 -23.585 5 1HB LEU 5 2HB LEU 5 -10.465 28.709 -25.736 6 2HB LEU 5 1HB LEU 5 -10.022 27.166 -25.050 7 HG LEU 5 HG LEU 5 -10.931 26.753 -27.158 8 1HD1 LEU 5 1HD1 LEU 5 -13.044 26.103 -25.153 9 2HD1 LEU 5 3HD1 LEU 5 -12.902 25.403 -26.762 10 3HD1 LEU 5 2HD1 LEU 5 -11.626 25.144 -25.577 11 1HD2 LEU 5 3HD2 LEU 5 -12.052 28.880 -27.520 12 2HD2 LEU 5 2HD2 LEU 5 -13.088 27.528 -27.972 13 3HD2 LEU 5 1HD2 LEU 5 -13.367 28.397 -26.459 14 MD1 LEU 5 QD1 LEU 5 -12.524 25.550 -25.831 15 MD2 LEU 5 QD2 LEU 5 -12.836 28.269 -27.317 16 QB LEU 5 QB LEU 5 -10.244 27.937 -25.393 17 QD LEU 5 QQD LEU 5 -12.680 26.909 -26.574 18 H GLU 6 H GLU 6 -10.823 27.029 -21.857 19 HA GLU 6 HA GLU 6 -8.976 29.153 -21.199 20 1HB GLU 6 2HB GLU 6 -10.939 28.958 -19.630 21 2HB GLU 6 1HB GLU 6 -10.347 27.311 -19.358 22 1HG GLU 6 2HG GLU 6 -9.844 28.974 -17.629 23 2HG GLU 6 1HG GLU 6 -8.429 28.095 -18.244 24 QB GLU 6 QB GLU 6 -10.643 28.135 -19.494 25 QG GLU 6 QG GLU 6 -9.137 28.534 -17.937 26 H ALA 7 H ALA 7 -7.040 28.514 -20.320 27 HA ALA 7 HA ALA 7 -6.090 26.036 -21.486 28 1HB ALA 7 1HB ALA 7 -4.537 28.169 -20.024 29 2HB ALA 7 3HB ALA 7 -3.859 26.836 -20.964 30 3HB ALA 7 2HB ALA 7 -4.793 28.099 -21.765 31 MB ALA 7 QB ALA 7 -4.396 27.701 -20.918 32 H ASP 8 H ASP 8 -5.431 24.273 -20.428 33 HA ASP 8 HA ASP 8 -6.198 24.016 -17.664 34 1HB ASP 8 2HB ASP 8 -6.615 22.147 -19.230 35 2HB ASP 8 1HB ASP 8 -4.886 22.006 -19.520 36 QB ASP 8 QB ASP 8 -5.750 22.077 -19.375 37 H VAL 9 H VAL 9 -4.748 23.325 -15.977 38 HA VAL 9 HA VAL 9 -2.528 24.813 -15.889 39 HB VAL 9 HB VAL 9 -2.009 23.676 -13.720 40 1HG1 VAL 9 3HG1 VAL 9 -4.841 24.625 -14.155 41 2HG1 VAL 9 2HG1 VAL 9 -4.027 24.522 -12.594 42 3HG1 VAL 9 1HG1 VAL 9 -3.443 25.644 -13.825 43 1HG2 VAL 9 3HG2 VAL 9 -4.466 22.153 -14.469 44 2HG2 VAL 9 2HG2 VAL 9 -2.838 21.498 -14.304 45 3HG2 VAL 9 1HG2 VAL 9 -3.703 22.099 -12.867 46 MG1 VAL 9 QG1 VAL 9 -4.104 24.931 -13.525 47 MG2 VAL 9 QG2 VAL 9 -3.669 21.917 -13.880 48 QG VAL 9 QQG VAL 9 -3.886 23.424 -13.702 49 H THR 10 H THR 10 -2.967 21.629 -17.099 50 HA THR 10 HA THR 10 -1.703 20.018 -17.915 51 HB THR 10 HB THR 10 0.412 20.467 -18.867 52 HG1 THR 10 1HG THR 10 0.320 22.730 -17.311 53 1HG2 THR 10 3HG2 THR 10 -1.677 22.528 -19.537 54 2HG2 THR 10 2HG2 THR 10 -0.308 22.149 -20.579 55 3HG2 THR 10 1HG2 THR 10 -1.504 20.908 -20.210 56 MG THR 10 QG2 THR 10 -1.163 21.862 -20.109 57 H MET 11 H MET 11 1.179 19.491 -17.570 58 HA MET 11 HA MET 11 0.804 18.154 -15.115 59 1HB MET 11 2HB MET 11 3.094 18.247 -17.068 60 2HB MET 11 1HB MET 11 3.187 17.353 -15.563 61 1HG MET 11 2HG MET 11 2.649 15.818 -17.295 62 2HG MET 11 1HG MET 11 1.206 16.080 -16.316 63 1HE MET 11 2HE MET 11 2.811 18.282 -19.186 64 2HE MET 11 1HE MET 11 2.932 16.636 -19.802 65 3HE MET 11 3HE MET 11 1.840 17.786 -20.571 66 QB MET 11 QB MET 11 3.140 17.800 -16.316 67 QG MET 11 QG MET 11 1.927 15.949 -16.805 68 ME MET 11 QE MET 11 2.527 17.568 -19.853 69 H THR 12 H THR 12 0.632 19.641 -13.523 70 HA THR 12 HA THR 12 3.073 21.104 -12.849 71 HB THR 12 HB THR 12 1.695 22.437 -11.451 72 HG1 THR 12 1HG THR 12 -0.547 22.440 -11.673 73 1HG2 THR 12 3HG2 THR 12 2.447 23.295 -13.557 74 2HG2 THR 12 2HG2 THR 12 1.090 22.554 -14.394 75 3HG2 THR 12 1HG2 THR 12 0.815 23.890 -13.280 76 MG THR 12 QG2 THR 12 1.450 23.246 -13.744 77 H GLY 13 H GLY 13 4.174 19.825 -11.691 78 1HA GLY 13 1HA GLY 13 3.425 17.791 -10.062 79 2HA GLY 13 2HA GLY 13 3.330 19.245 -9.061 80 QA GLY 13 QA GLY 13 3.377 18.518 -9.561 81 H SER 14 H SER 14 5.169 20.361 -8.626 82 HA SER 14 HA SER 14 7.665 19.570 -9.794 83 1HB SER 14 2HB SER 14 7.118 21.527 -7.560 84 2HB SER 14 1HB SER 14 8.592 21.408 -8.526 85 HG SER 14 HG SER 14 6.550 21.610 -10.202 86 QB SER 14 QB SER 14 7.855 21.467 -8.043 87 H ASP 15 H ASP 15 6.014 19.125 -6.583 88 HA ASP 15 HA ASP 15 8.240 17.560 -5.852 89 1HB ASP 15 2HB ASP 15 7.531 18.290 -3.561 90 2HB ASP 15 1HB ASP 15 8.633 19.345 -4.441 91 QB ASP 15 QB ASP 15 8.082 18.817 -4.001 92 H LEU 16 H LEU 16 6.500 16.268 -6.996 93 HA LEU 16 HA LEU 16 5.453 14.752 -4.772 94 1HB LEU 16 2HB LEU 16 4.629 14.579 -7.651 95 2HB LEU 16 1HB LEU 16 4.052 13.557 -6.352 96 HG LEU 16 HG LEU 16 2.376 14.943 -6.852 97 1HD1 LEU 16 1HD1 LEU 16 3.687 16.213 -4.471 98 2HD1 LEU 16 3HD1 LEU 16 1.994 16.434 -4.923 99 3HD1 LEU 16 2HD1 LEU 16 2.585 14.832 -4.484 100 1HD2 LEU 16 2HD2 LEU 16 4.269 17.230 -6.964 101 2HD2 LEU 16 1HD2 LEU 16 3.357 16.410 -8.250 102 3HD2 LEU 16 3HD2 LEU 16 2.496 17.391 -7.064 103 MD1 LEU 16 QD1 LEU 16 2.755 15.827 -4.626 104 MD2 LEU 16 QD2 LEU 16 3.374 17.010 -7.426 105 QB LEU 16 QB LEU 16 4.341 14.068 -7.002 106 QD LEU 16 QQD LEU 16 3.065 16.418 -6.026 107 H VAL 17 H VAL 17 5.555 12.589 -4.992 108 HA VAL 17 HA VAL 17 7.722 11.663 -6.400 109 HB VAL 17 HB VAL 17 7.686 11.962 -3.404 110 1HG1 VAL 17 1HG1 VAL 17 9.125 10.029 -5.027 111 2HG1 VAL 17 3HG1 VAL 17 9.654 10.458 -3.371 112 3HG1 VAL 17 2HG1 VAL 17 8.020 9.730 -3.620 113 1HG2 VAL 17 2HG2 VAL 17 8.945 13.609 -4.806 114 2HG2 VAL 17 1HG2 VAL 17 9.947 12.724 -3.642 115 3HG2 VAL 17 3HG2 VAL 17 9.965 12.273 -5.334 116 MG1 VAL 17 QG1 VAL 17 8.933 10.072 -4.006 117 MG2 VAL 17 QG2 VAL 17 9.619 12.869 -4.594 118 QG VAL 17 QQG VAL 17 9.276 11.470 -4.300 119 H SER 18 H SER 18 7.561 9.358 -6.342 120 HA SER 18 HA SER 18 5.106 8.241 -5.205 121 1HB SER 18 2HB SER 18 4.827 8.760 -7.643 122 2HB SER 18 1HB SER 18 6.159 7.657 -7.984 123 HG SER 18 HG SER 18 3.865 6.891 -6.547 124 QB SER 18 QB SER 18 5.493 8.208 -7.814 125 H CYS 19 H CYS 19 5.835 6.865 -3.755 126 HA CYS 19 HA CYS 19 8.167 5.227 -4.318 127 1HB CYS 19 2HB CYS 19 6.429 5.448 -1.839 128 2HB CYS 19 1HB CYS 19 7.843 4.410 -1.982 129 HG CYS 19 HG CYS 19 9.497 6.157 -1.142 130 QB CYS 19 QB CYS 19 7.136 4.929 -1.910 131 H CYS 20 H CYS 20 7.951 3.221 -5.037 132 HA CYS 20 HA CYS 20 5.208 2.158 -5.276 133 1HB CYS 20 2HB CYS 20 7.489 1.880 -7.250 134 2HB CYS 20 1HB CYS 20 5.841 1.302 -7.466 135 HG CYS 20 HG CYS 20 6.785 4.562 -7.233 136 QB CYS 20 QB CYS 20 6.665 1.591 -7.358 137 H TYR 21 H TYR 21 5.192 0.268 -3.918 138 HA TYR 21 HA TYR 21 7.834 -0.968 -3.719 139 1HB TYR 21 2HB TYR 21 7.658 -1.328 -1.474 140 2HB TYR 21 1HB TYR 21 7.074 0.284 -1.750 141 HD1 TYR 21 1HD TYR 21 5.538 -3.134 -1.283 142 HD2 TYR 21 2HD TYR 21 5.473 1.035 -0.464 143 HE1 TYR 21 1HE TYR 21 3.660 -3.458 0.296 144 HE2 TYR 21 2HE TYR 21 3.657 0.728 1.056 145 HH TYR 21 HH TYR 21 1.814 -0.983 1.471 146 QB TYR 21 QB TYR 21 7.366 -0.522 -1.612 147 QD TYR 21 QD TYR 21 5.505 -1.049 -0.874 148 QE TYR 21 QE TYR 21 3.658 -1.365 0.676 149 QR TYR 21 QR TYR 21 4.582 -1.207 -0.099 150 H ARG 22 H ARG 22 7.898 -3.146 -3.179 151 HA ARG 22 HA ARG 22 5.580 -4.740 -4.074 152 1HB ARG 22 2HB ARG 22 7.645 -4.656 -5.583 153 2HB ARG 22 1HB ARG 22 8.528 -5.433 -4.287 154 1HG ARG 22 2HG ARG 22 6.152 -6.654 -5.703 155 2HG ARG 22 1HG ARG 22 7.826 -6.937 -6.150 156 1HD ARG 22 2HD ARG 22 6.543 -7.635 -3.509 157 2HD ARG 22 1HD ARG 22 6.895 -8.773 -4.802 158 HE ARG 22 HE ARG 22 8.877 -7.405 -3.092 159 1HH1 ARG 22 1HH1 ARG 22 8.133 -9.964 -5.442 160 2HH1 ARG 22 2HH1 ARG 22 9.497 -10.895 -5.071 161 1HH2 ARG 22 1HH2 ARG 22 10.746 -8.720 -2.573 162 2HH2 ARG 22 2HH2 ARG 22 11.044 -10.172 -3.408 163 QB ARG 22 QB ARG 22 8.086 -5.045 -4.935 164 QG ARG 22 QG ARG 22 6.989 -6.795 -5.926 165 QD ARG 22 QD ARG 22 6.719 -8.204 -4.156 166 QH1 ARG 22 QH1 ARG 22 8.815 -10.429 -5.256 167 QH2 ARG 22 QH2 ARG 22 10.895 -9.446 -2.990 168 H SER 23 H SER 23 4.820 -6.034 -2.456 169 HA SER 23 HA SER 23 6.721 -6.908 -0.437 170 1HB SER 23 2HB SER 23 5.442 -4.891 0.380 171 2HB SER 23 1HB SER 23 4.041 -5.957 0.227 172 HG SER 23 HG SER 23 5.419 -5.795 2.357 173 QB SER 23 QB SER 23 4.742 -5.424 0.303 174 H LEU 24 H LEU 24 5.669 -8.637 0.947 175 HA LEU 24 HA LEU 24 4.043 -10.362 -0.845 176 1HB LEU 24 2HB LEU 24 6.372 -11.336 0.818 177 2HB LEU 24 1HB LEU 24 5.299 -12.355 -0.098 178 HG LEU 24 HG LEU 24 7.321 -12.240 -1.272 179 1HD1 LEU 24 3HD1 LEU 24 5.386 -10.406 -2.629 180 2HD1 LEU 24 2HD1 LEU 24 6.752 -11.209 -3.401 181 3HD1 LEU 24 1HD1 LEU 24 5.441 -12.167 -2.713 182 1HD2 LEU 24 1HD2 LEU 24 8.293 -10.274 -0.219 183 2HD2 LEU 24 3HD2 LEU 24 8.395 -10.172 -1.986 184 3HD2 LEU 24 2HD2 LEU 24 7.159 -9.256 -1.133 185 MD1 LEU 24 QD1 LEU 24 5.860 -11.261 -2.914 186 MD2 LEU 24 QD2 LEU 24 7.949 -9.901 -1.113 187 QB LEU 24 QB LEU 24 5.836 -11.846 0.360 188 QD LEU 24 QQD LEU 24 6.904 -10.581 -2.013 189 H ALA 25 H ALA 25 2.901 -8.933 1.149 190 HA ALA 25 HA ALA 25 1.905 -8.988 3.328 191 1HB ALA 25 2HB ALA 25 0.397 -11.030 1.718 192 2HB ALA 25 3HB ALA 25 0.317 -9.272 1.513 193 3HB ALA 25 1HB ALA 25 -0.230 -10.008 3.022 194 MB ALA 25 QB ALA 25 0.161 -10.103 2.084 195 H ALA 26 H ALA 26 2.666 -9.764 5.341 196 HA ALA 26 HA ALA 26 3.830 -12.272 5.293 197 1HB ALA 26 1HB ALA 26 4.193 -11.852 7.711 198 2HB ALA 26 3HB ALA 26 4.710 -10.536 6.644 199 3HB ALA 26 2HB ALA 26 3.188 -10.402 7.542 200 MB ALA 26 QB ALA 26 4.030 -10.930 7.299 201 HA PRO 27 HA PRO 27 0.340 -14.926 6.463 202 1HB PRO 27 2HB PRO 27 1.709 -16.680 8.043 203 2HB PRO 27 1HB PRO 27 1.847 -16.678 6.275 204 1HG PRO 27 2HG PRO 27 3.505 -15.071 8.207 205 2HG PRO 27 1HG PRO 27 4.139 -16.344 7.081 206 1HD PRO 27 2HD PRO 27 4.310 -13.908 6.430 207 2HD PRO 27 1HD PRO 27 3.422 -14.931 5.266 208 QB PRO 27 QB PRO 27 1.778 -16.679 7.159 209 QG PRO 27 QG PRO 27 3.822 -15.707 7.644 210 QD PRO 27 QD PRO 27 3.866 -14.420 5.848 211 H ASP 28 H ASP 28 2.008 -13.070 8.528 212 HA ASP 28 HA ASP 28 0.720 -13.732 11.040 213 1HB ASP 28 2HB ASP 28 2.697 -11.606 10.206 214 2HB ASP 28 1HB ASP 28 1.991 -11.658 11.811 215 QB ASP 28 QB ASP 28 2.344 -11.632 11.008 216 H LEU 29 H LEU 29 0.054 -11.943 8.308 217 HA LEU 29 HA LEU 29 -1.374 -9.764 9.420 218 1HB LEU 29 2HB LEU 29 -1.122 -10.979 6.741 219 2HB LEU 29 1HB LEU 29 -2.341 -9.736 7.045 220 HG LEU 29 HG LEU 29 0.615 -9.444 7.452 221 1HD1 LEU 29 2HD1 LEU 29 -1.192 -8.536 5.209 222 2HD1 LEU 29 1HD1 LEU 29 0.531 -8.124 5.374 223 3HD1 LEU 29 3HD1 LEU 29 0.064 -9.792 5.106 224 1HD2 LEU 29 1HD2 LEU 29 -1.686 -7.490 7.472 225 2HD2 LEU 29 3HD2 LEU 29 -0.663 -7.930 8.850 226 3HD2 LEU 29 2HD2 LEU 29 0.010 -7.047 7.476 227 MD1 LEU 29 QD1 LEU 29 -0.199 -8.817 5.230 228 MD2 LEU 29 QD2 LEU 29 -0.779 -7.489 7.933 229 QB LEU 29 QB LEU 29 -1.731 -10.358 6.893 230 QD LEU 29 QQD LEU 29 -0.489 -8.153 6.581 231 H THR 30 H THR 30 -3.431 -9.530 9.790 232 HA THR 30 HA THR 30 -5.230 -11.714 9.167 233 HB THR 30 HB THR 30 -6.637 -10.508 10.814 234 HG1 THR 30 1HG THR 30 -5.137 -9.601 12.554 235 1HG2 THR 30 2HG2 THR 30 -4.242 -12.081 11.587 236 2HG2 THR 30 1HG2 THR 30 -5.647 -11.733 12.663 237 3HG2 THR 30 3HG2 THR 30 -5.902 -12.598 11.150 238 MG THR 30 QG2 THR 30 -5.264 -12.137 11.800 239 H LEU 31 H LEU 31 -7.212 -11.108 8.430 240 HA LEU 31 HA LEU 31 -7.521 -9.011 6.602 241 1HB LEU 31 2HB LEU 31 -8.954 -11.049 7.019 242 2HB LEU 31 1HB LEU 31 -9.417 -10.102 8.451 243 HG LEU 31 HG LEU 31 -10.453 -8.403 7.082 244 1HD1 LEU 31 1HD1 LEU 31 -9.061 -8.560 5.107 245 2HD1 LEU 31 3HD1 LEU 31 -9.795 -10.123 4.701 246 3HD1 LEU 31 2HD1 LEU 31 -10.776 -8.643 4.727 247 1HD2 LEU 31 2HD2 LEU 31 -11.804 -10.226 7.858 248 2HD2 LEU 31 1HD2 LEU 31 -12.370 -9.678 6.273 249 3HD2 LEU 31 3HD2 LEU 31 -11.425 -11.164 6.419 250 MD1 LEU 31 QD1 LEU 31 -9.877 -9.109 4.845 251 MD2 LEU 31 QD2 LEU 31 -11.866 -10.356 6.850 252 QB LEU 31 QB LEU 31 -9.185 -10.575 7.735 253 QD LEU 31 QQD LEU 31 -10.872 -9.732 5.848 254 H ARG 32 H ARG 32 -8.097 -9.215 10.113 255 HA ARG 32 HA ARG 32 -9.416 -6.714 10.080 256 1HB ARG 32 2HB ARG 32 -9.741 -8.249 11.982 257 2HB ARG 32 1HB ARG 32 -8.067 -7.985 12.470 258 1HG ARG 32 2HG ARG 32 -9.471 -6.560 13.829 259 2HG ARG 32 1HG ARG 32 -8.550 -5.586 12.669 260 1HD ARG 32 2HD ARG 32 -10.556 -5.594 11.158 261 2HD ARG 32 1HD ARG 32 -11.456 -6.336 12.475 262 HE ARG 32 HE ARG 32 -10.559 -4.263 13.738 263 1HH1 ARG 32 1HH1 ARG 32 -11.902 -4.436 10.463 264 2HH1 ARG 32 2HH1 ARG 32 -12.259 -2.774 10.387 265 1HH2 ARG 32 1HH2 ARG 32 -11.144 -1.950 13.609 266 2HH2 ARG 32 2HH2 ARG 32 -11.845 -1.369 12.166 267 QB ARG 32 QB ARG 32 -8.904 -8.117 12.226 268 QG ARG 32 QG ARG 32 -9.010 -6.073 13.249 269 QD ARG 32 QD ARG 32 -11.006 -5.965 11.817 270 QH1 ARG 32 QH1 ARG 32 -12.081 -3.605 10.425 271 QH2 ARG 32 QH2 ARG 32 -11.494 -1.660 12.887 272 H ASP 33 H ASP 33 -6.080 -7.660 10.342 273 HA ASP 33 HA ASP 33 -5.085 -5.119 11.080 274 1HB ASP 33 2HB ASP 33 -3.874 -7.493 10.991 275 2HB ASP 33 1HB ASP 33 -3.481 -6.993 9.353 276 QB ASP 33 QB ASP 33 -3.678 -7.243 10.172 277 H LEU 34 H LEU 34 -5.815 -6.667 7.882 278 HA LEU 34 HA LEU 34 -4.761 -4.439 6.358 279 1HB LEU 34 2HB LEU 34 -6.904 -6.412 5.559 280 2HB LEU 34 1HB LEU 34 -6.333 -5.145 4.513 281 HG LEU 34 HG LEU 34 -5.343 -7.146 3.806 282 1HD1 LEU 34 1HD1 LEU 34 -3.844 -5.260 3.749 283 2HD1 LEU 34 3HD1 LEU 34 -3.275 -5.649 5.375 284 3HD1 LEU 34 2HD1 LEU 34 -2.984 -6.769 4.044 285 1HD2 LEU 34 2HD2 LEU 34 -5.777 -8.299 5.876 286 2HD2 LEU 34 1HD2 LEU 34 -4.142 -8.645 5.216 287 3HD2 LEU 34 3HD2 LEU 34 -4.356 -7.512 6.566 288 MD1 LEU 34 QD1 LEU 34 -3.368 -5.892 4.390 289 MD2 LEU 34 QD2 LEU 34 -4.758 -8.152 5.886 290 QB LEU 34 QB LEU 34 -6.618 -5.779 5.036 291 QD LEU 34 QQD LEU 34 -4.063 -7.022 5.138 292 H LEU 35 H LEU 35 -7.851 -5.186 7.624 293 HA LEU 35 HA LEU 35 -9.217 -3.026 6.406 294 1HB LEU 35 2HB LEU 35 -9.882 -4.949 8.595 295 2HB LEU 35 1HB LEU 35 -10.950 -3.597 8.276 296 HG LEU 35 HG LEU 35 -11.513 -5.863 7.188 297 1HD1 LEU 35 2HD1 LEU 35 -11.231 -3.377 5.473 298 2HD1 LEU 35 1HD1 LEU 35 -12.306 -4.733 5.136 299 3HD1 LEU 35 3HD1 LEU 35 -12.573 -3.730 6.558 300 1HD2 LEU 35 2HD2 LEU 35 -9.278 -4.944 5.393 301 2HD2 LEU 35 1HD2 LEU 35 -9.251 -6.377 6.347 302 3HD2 LEU 35 3HD2 LEU 35 -10.389 -6.277 4.986 303 MD1 LEU 35 QD1 LEU 35 -12.036 -3.947 5.722 304 MD2 LEU 35 QD2 LEU 35 -9.639 -5.866 5.575 305 QB LEU 35 QB LEU 35 -10.416 -4.273 8.436 306 QD LEU 35 QQD LEU 35 -10.838 -4.906 5.649 307 H ASP 36 H ASP 36 -7.551 -3.368 9.299 308 HA ASP 36 HA ASP 36 -8.235 -0.709 10.245 309 1HB ASP 36 2HB ASP 36 -7.595 -2.238 11.918 310 2HB ASP 36 1HB ASP 36 -6.090 -2.657 11.101 311 QB ASP 36 QB ASP 36 -6.842 -2.448 11.510 312 H ILE 37 H ILE 37 -5.416 -2.127 8.633 313 HA ILE 37 HA ILE 37 -3.796 0.066 8.296 314 HB ILE 37 HB ILE 37 -4.329 -2.286 6.462 315 1HG1 ILE 37 2HG1 ILE 37 -1.704 -1.683 7.717 316 2HG1 ILE 37 1HG1 ILE 37 -2.920 -2.379 8.750 317 1HG2 ILE 37 3HG2 ILE 37 -3.656 -0.482 4.987 318 2HG2 ILE 37 2HG2 ILE 37 -2.234 -0.172 5.986 319 3HG2 ILE 37 1HG2 ILE 37 -2.376 -1.691 5.101 320 1HD1 ILE 37 1HD1 ILE 37 -1.862 -3.561 6.175 321 2HD1 ILE 37 3HD1 ILE 37 -1.426 -4.075 7.797 322 3HD1 ILE 37 2HD1 ILE 37 -3.054 -4.337 7.223 323 MG ILE 37 QG2 ILE 37 -2.756 -0.782 5.358 324 MD ILE 37 QD1 ILE 37 -2.114 -3.991 7.065 325 QG ILE 37 QG1 ILE 37 -2.312 -2.031 8.233 326 H VAL 38 H VAL 38 -6.334 -1.036 6.047 327 HA VAL 38 HA VAL 38 -6.062 1.005 4.207 328 HB VAL 38 HB VAL 38 -7.380 -0.954 3.580 329 1HG1 VAL 38 1HG1 VAL 38 -8.247 -1.516 5.664 330 2HG1 VAL 38 3HG1 VAL 38 -9.412 -0.181 5.609 331 3HG1 VAL 38 2HG1 VAL 38 -9.493 -1.503 4.422 332 1HG2 VAL 38 1HG2 VAL 38 -9.105 1.512 3.609 333 2HG2 VAL 38 3HG2 VAL 38 -7.995 1.011 2.330 334 3HG2 VAL 38 2HG2 VAL 38 -9.435 0.062 2.677 335 MG1 VAL 38 QG1 VAL 38 -9.050 -1.067 5.231 336 MG2 VAL 38 QG2 VAL 38 -8.845 0.862 2.872 337 QG VAL 38 QQG VAL 38 -8.948 -0.102 4.052 338 H GLU 39 H GLU 39 -8.238 0.935 6.953 339 HA GLU 39 HA GLU 39 -9.403 3.401 6.417 340 1HB GLU 39 2HB GLU 39 -9.205 1.720 8.859 341 2HB GLU 39 1HB GLU 39 -10.047 3.253 8.918 342 1HG GLU 39 2HG GLU 39 -10.668 0.934 7.093 343 2HG GLU 39 1HG GLU 39 -11.588 1.411 8.520 344 QB GLU 39 QB GLU 39 -9.626 2.486 8.888 345 QG GLU 39 QG GLU 39 -11.128 1.173 7.807 346 H THR 40 H THR 40 -6.610 2.642 8.487 347 HA THR 40 HA THR 40 -6.419 5.379 9.264 348 HB THR 40 HB THR 40 -5.617 3.573 10.764 349 HG1 THR 40 1HG THR 40 -3.264 5.011 10.232 350 1HG2 THR 40 2HG2 THR 40 -4.628 2.085 9.109 351 2HG2 THR 40 1HG2 THR 40 -3.384 3.296 8.786 352 3HG2 THR 40 3HG2 THR 40 -3.445 2.494 10.360 353 MG THR 40 QG2 THR 40 -3.819 2.625 9.418 354 H SER 41 H SER 41 -4.971 3.504 6.649 355 HA SER 41 HA SER 41 -2.958 5.397 6.091 356 1HB SER 41 2HB SER 41 -2.779 4.164 3.890 357 2HB SER 41 1HB SER 41 -2.557 3.191 5.345 358 HG SER 41 HG SER 41 -4.473 2.302 5.079 359 QB SER 41 QB SER 41 -2.668 3.678 4.617 360 H GLN 42 H GLN 42 -6.191 4.920 4.755 361 HA GLN 42 HA GLN 42 -6.194 6.875 2.734 362 1HB GLN 42 2HB GLN 42 -8.359 6.075 4.636 363 2HB GLN 42 1HB GLN 42 -8.625 7.125 3.259 364 1HG GLN 42 2HG GLN 42 -8.285 5.464 1.734 365 2HG GLN 42 1HG GLN 42 -7.319 4.523 2.875 366 1HE2 GLN 42 1HE2 GLN 42 -9.249 4.767 5.029 367 2HE2 GLN 42 2HE2 GLN 42 -10.488 3.655 4.589 368 QB GLN 42 QB GLN 42 -8.492 6.600 3.948 369 QG GLN 42 QG GLN 42 -7.802 4.993 2.305 370 QE GLN 42 QE2 GLN 42 -9.868 4.211 4.809 371 H ALA 43 H ALA 43 -6.864 7.104 6.133 372 HA ALA 43 HA ALA 43 -7.638 9.810 6.186 373 1HB ALA 43 2HB ALA 43 -7.592 9.509 8.572 374 2HB ALA 43 3HB ALA 43 -6.532 8.094 8.403 375 3HB ALA 43 1HB ALA 43 -8.179 8.028 7.790 376 MB ALA 43 QB ALA 43 -7.434 8.544 8.255 377 H HIS 44 H HIS 44 -4.578 8.200 6.771 378 HA HIS 44 HA HIS 44 -3.141 10.595 7.355 379 1HB HIS 44 2HB HIS 44 -2.462 8.164 7.936 380 2HB HIS 44 1HB HIS 44 -2.043 8.069 6.224 381 HD1 HIS 44 1HD HIS 44 0.166 7.515 8.215 382 HD2 HIS 44 2HD HIS 44 -0.614 11.327 6.759 383 HE1 HIS 44 1HE HIS 44 2.312 8.756 8.364 384 HE2 HIS 44 2HE HIS 44 1.869 11.024 7.549 385 QB HIS 44 QB HIS 44 -2.252 8.117 7.080 386 H ASN 45 H ASN 45 -3.555 8.653 4.403 387 HA ASN 45 HA ASN 45 -1.881 10.222 2.797 388 1HB ASN 45 2HB ASN 45 -4.035 8.255 2.154 389 2HB ASN 45 1HB ASN 45 -3.385 9.269 0.868 390 1HD2 ASN 45 1HD2 ASN 45 -2.465 7.536 -0.168 391 2HD2 ASN 45 2HD2 ASN 45 -1.089 6.680 0.437 392 QB ASN 45 QB ASN 45 -3.710 8.762 1.511 393 QD ASN 45 QD2 ASN 45 -1.777 7.108 0.135 394 H ALA 46 H ALA 46 -5.333 10.488 3.397 395 HA ALA 46 HA ALA 46 -5.896 12.539 1.592 396 1HB ALA 46 3HB ALA 46 -7.774 13.093 3.076 397 2HB ALA 46 1HB ALA 46 -7.050 12.102 4.342 398 3HB ALA 46 2HB ALA 46 -7.630 11.345 2.855 399 MB ALA 46 QB ALA 46 -7.484 12.180 3.424 400 H ARG 47 H ARG 47 -4.729 12.652 4.922 401 HA ARG 47 HA ARG 47 -4.554 15.472 5.065 402 1HB ARG 47 2HB ARG 47 -4.636 13.860 7.048 403 2HB ARG 47 1HB ARG 47 -2.976 13.464 6.575 404 1HG ARG 47 2HG ARG 47 -3.593 16.309 7.246 405 2HG ARG 47 1HG ARG 47 -3.405 15.148 8.555 406 1HD ARG 47 2HD ARG 47 -1.168 14.643 7.881 407 2HD ARG 47 1HD ARG 47 -1.351 15.523 6.365 408 HE ARG 47 HE ARG 47 -1.690 17.090 8.756 409 1HH1 ARG 47 1HH1 ARG 47 0.797 15.776 6.619 410 2HH1 ARG 47 2HH1 ARG 47 1.793 17.139 6.609 411 1HH2 ARG 47 1HH2 ARG 47 -0.309 18.970 8.871 412 2HH2 ARG 47 2HH2 ARG 47 1.145 19.054 7.971 413 QB ARG 47 QB ARG 47 -3.806 13.662 6.812 414 QG ARG 47 QG ARG 47 -3.499 15.728 7.900 415 QD ARG 47 QD ARG 47 -1.259 15.083 7.123 416 QH1 ARG 47 QH1 ARG 47 1.295 16.458 6.614 417 QH2 ARG 47 QH2 ARG 47 0.418 19.012 8.421 418 H ALA 48 H ALA 48 -2.131 12.944 4.492 419 HA ALA 48 HA ALA 48 -0.105 14.848 4.355 420 1HB ALA 48 3HB ALA 48 0.341 12.592 5.161 421 2HB ALA 48 1HB ALA 48 1.411 13.076 3.851 422 3HB ALA 48 2HB ALA 48 0.075 11.955 3.536 423 MB ALA 48 QB ALA 48 0.609 12.541 4.183 424 H GLN 49 H GLN 49 -2.391 14.015 2.111 425 HA GLN 49 HA GLN 49 -2.848 14.825 0.013 426 1HB GLN 49 2HB GLN 49 -0.082 16.007 0.198 427 2HB GLN 49 1HB GLN 49 -1.226 16.395 -1.119 428 1HG GLN 49 2HG GLN 49 -2.352 17.773 0.263 429 2HG GLN 49 1HG GLN 49 -2.144 16.548 1.548 430 1HE2 GLN 49 1HE2 GLN 49 -0.613 16.752 3.018 431 2HE2 GLN 49 2HE2 GLN 49 0.558 18.005 3.125 432 QB GLN 49 QB GLN 49 -0.654 16.201 -0.461 433 QG GLN 49 QG GLN 49 -2.248 17.160 0.906 434 QE GLN 49 QE2 GLN 49 -0.027 17.379 3.071 435 H LEU 50 H LEU 50 -1.582 12.418 0.717 436 HA LEU 50 HA LEU 50 -0.148 11.546 -1.648 437 1HB LEU 50 2HB LEU 50 -0.603 10.406 1.039 438 2HB LEU 50 1HB LEU 50 -0.234 9.316 -0.280 439 HG LEU 50 HG LEU 50 1.812 10.498 -0.693 440 1HD1 LEU 50 3HD1 LEU 50 1.257 12.709 0.113 441 2HD1 LEU 50 2HD1 LEU 50 1.186 12.091 1.764 442 3HD1 LEU 50 1HD1 LEU 50 2.718 12.101 0.889 443 1HD2 LEU 50 1HD2 LEU 50 1.414 9.576 2.091 444 2HD2 LEU 50 3HD2 LEU 50 1.928 8.601 0.705 445 3HD2 LEU 50 2HD2 LEU 50 2.985 9.879 1.373 446 MD1 LEU 50 QD1 LEU 50 1.720 12.300 0.922 447 MD2 LEU 50 QD2 LEU 50 2.109 9.352 1.390 448 QB LEU 50 QB LEU 50 -0.418 9.861 0.380 449 QD LEU 50 QQD LEU 50 1.915 10.826 1.156 450 H THR 51 H THR 51 -0.908 10.376 -3.213 451 HA THR 51 HA THR 51 -3.592 9.267 -3.019 452 HB THR 51 HB THR 51 -3.655 9.698 -5.464 453 HG1 THR 51 1HG THR 51 -1.621 10.121 -6.243 454 1HG2 THR 51 3HG2 THR 51 -4.532 11.064 -3.651 455 2HG2 THR 51 2HG2 THR 51 -3.013 11.996 -3.684 456 3HG2 THR 51 1HG2 THR 51 -4.095 12.033 -5.089 457 MG THR 51 QG2 THR 51 -3.880 11.698 -4.142 458 H GLY 52 H GLY 52 -3.950 7.237 -4.156 459 1HA GLY 52 1HA GLY 52 -2.203 5.459 -3.063 460 2HA GLY 52 2HA GLY 52 -1.665 5.669 -4.716 461 QA GLY 52 QA GLY 52 -1.934 5.564 -3.890 462 H ALA 53 H ALA 53 -2.114 3.402 -4.293 463 HA ALA 53 HA ALA 53 -4.690 2.392 -4.234 464 1HB ALA 53 1HB ALA 53 -4.848 3.201 -6.572 465 2HB ALA 53 2HB ALA 53 -4.886 1.439 -6.505 466 3HB ALA 53 3HB ALA 53 -3.405 2.276 -6.976 467 MB ALA 53 QB ALA 53 -4.380 2.305 -6.684 468 H LEU 54 H LEU 54 -4.602 -0.003 -4.737 469 HA LEU 54 HA LEU 54 -1.979 -1.067 -4.115 470 1HB LEU 54 2HB LEU 54 -2.805 -0.581 -1.959 471 2HB LEU 54 1HB LEU 54 -4.402 -1.121 -2.361 472 HG LEU 54 HG LEU 54 -2.179 -3.174 -2.169 473 1HD1 LEU 54 1HD1 LEU 54 -2.100 -1.762 -0.139 474 2HD1 LEU 54 3HD1 LEU 54 -3.827 -2.104 0.068 475 3HD1 LEU 54 2HD1 LEU 54 -2.670 -3.418 0.126 476 1HD2 LEU 54 2HD2 LEU 54 -5.136 -3.170 -1.625 477 2HD2 LEU 54 1HD2 LEU 54 -4.356 -3.867 -3.045 478 3HD2 LEU 54 3HD2 LEU 54 -4.062 -4.551 -1.439 479 MD1 LEU 54 QD1 LEU 54 -2.866 -2.428 0.018 480 MD2 LEU 54 QD2 LEU 54 -4.518 -3.863 -2.036 481 QB LEU 54 QB LEU 54 -3.604 -0.851 -2.160 482 QD LEU 54 QQD LEU 54 -3.692 -3.145 -1.009 483 H PHE 55 H PHE 55 -1.635 -2.951 -5.006 484 HA PHE 55 HA PHE 55 -3.899 -4.443 -6.088 485 1HB PHE 55 2HB PHE 55 -1.022 -4.303 -7.035 486 2HB PHE 55 1HB PHE 55 -2.218 -5.415 -7.677 487 HD1 PHE 55 1HD PHE 55 -4.050 -4.606 -9.048 488 HD2 PHE 55 2HD PHE 55 -1.029 -1.977 -7.619 489 HE1 PHE 55 1HE PHE 55 -4.755 -2.914 -10.683 490 HE2 PHE 55 2HE PHE 55 -1.728 -0.278 -9.256 491 HZ PHE 55 HZ PHE 55 -3.597 -0.754 -10.789 492 QB PHE 55 QB PHE 55 -1.620 -4.859 -7.356 493 QD PHE 55 QD PHE 55 -2.539 -3.292 -8.333 494 QE PHE 55 QE PHE 55 -3.241 -1.596 -9.969 495 QR PHE 55 QR PHE 55 -3.032 -2.106 -9.479 496 H TYR 56 H TYR 56 -4.288 -6.112 -4.922 497 HA TYR 56 HA TYR 56 -2.064 -7.461 -3.604 498 1HB TYR 56 2HB TYR 56 -3.269 -6.272 -1.891 499 2HB TYR 56 1HB TYR 56 -4.833 -6.859 -2.446 500 HD1 TYR 56 1HD TYR 56 -5.043 -9.543 -2.291 501 HD2 TYR 56 2HD TYR 56 -2.344 -7.181 -0.029 502 HE1 TYR 56 1HE TYR 56 -4.866 -11.351 -0.647 503 HE2 TYR 56 2HE TYR 56 -2.125 -9.012 1.618 504 HH TYR 56 HH TYR 56 -3.323 -10.953 2.362 505 QB TYR 56 QB TYR 56 -4.051 -6.566 -2.169 506 QD TYR 56 QD TYR 56 -3.693 -8.362 -1.160 507 QE TYR 56 QE TYR 56 -3.495 -10.181 0.486 508 QR TYR 56 QR TYR 56 -3.594 -9.272 -0.337 509 H SER 57 H SER 57 -2.028 -9.596 -4.486 510 HA SER 57 HA SER 57 -4.441 -11.098 -4.699 511 1HB SER 57 2HB SER 57 -2.751 -10.586 -7.190 512 2HB SER 57 1HB SER 57 -4.156 -11.645 -7.074 513 HG SER 57 HG SER 57 -4.831 -9.255 -6.183 514 QB SER 57 QB SER 57 -3.454 -11.115 -7.132 515 H GLN 58 H GLN 58 -3.867 -13.286 -4.491 516 HA GLN 58 HA GLN 58 -2.587 -15.147 -4.252 517 1HB GLN 58 2HB GLN 58 -0.684 -13.487 -5.873 518 2HB GLN 58 1HB GLN 58 -0.383 -15.167 -5.483 519 1HG GLN 58 2HG GLN 58 -2.295 -15.865 -6.751 520 2HG GLN 58 1HG GLN 58 -2.855 -14.203 -6.915 521 1HE2 GLN 58 1HE2 GLN 58 -2.257 -16.206 -8.924 522 2HE2 GLN 58 2HE2 GLN 58 -1.120 -15.476 -9.989 523 QB GLN 58 QB GLN 58 -0.533 -14.327 -5.678 524 QG GLN 58 QG GLN 58 -2.575 -15.034 -6.833 525 QE GLN 58 QE2 GLN 58 -1.689 -15.841 -9.456 526 H GLY 59 H GLY 59 -2.366 -12.721 -2.448 527 1HA GLY 59 1HA GLY 59 -0.346 -13.732 -0.631 528 2HA GLY 59 2HA GLY 59 -1.412 -12.366 -0.379 529 QA GLY 59 QA GLY 59 -0.879 -13.049 -0.505 530 H VAL 60 H VAL 60 -0.163 -11.628 -3.269 531 HA VAL 60 HA VAL 60 2.206 -10.484 -2.029 532 HB VAL 60 HB VAL 60 3.260 -10.227 -4.152 533 1HG1 VAL 60 3HG1 VAL 60 3.438 -12.434 -3.216 534 2HG1 VAL 60 2HG1 VAL 60 1.988 -12.942 -4.075 535 3HG1 VAL 60 1HG1 VAL 60 3.437 -12.512 -4.979 536 1HG2 VAL 60 1HG2 VAL 60 1.337 -9.534 -5.519 537 2HG2 VAL 60 3HG2 VAL 60 2.226 -10.838 -6.307 538 3HG2 VAL 60 2HG2 VAL 60 0.708 -11.181 -5.479 539 MG1 VAL 60 QG1 VAL 60 2.954 -12.629 -4.090 540 MG2 VAL 60 QG2 VAL 60 1.424 -10.518 -5.768 541 QG VAL 60 QQG VAL 60 2.189 -11.574 -4.929 542 H PHE 61 H PHE 61 2.694 -8.364 -2.315 543 HA PHE 61 HA PHE 61 0.323 -6.629 -2.580 544 1HB PHE 61 2HB PHE 61 2.649 -6.751 -0.857 545 2HB PHE 61 1HB PHE 61 2.166 -5.130 -1.343 546 HD1 PHE 61 1HD PHE 61 2.250 -7.226 1.205 547 HD2 PHE 61 2HD PHE 61 -0.665 -5.099 -1.035 548 HE1 PHE 61 1HE PHE 61 0.801 -7.156 3.171 549 HE2 PHE 61 2HE PHE 61 -2.131 -5.054 0.951 550 HZ PHE 61 HZ PHE 61 -1.356 -6.049 3.043 551 QB PHE 61 QB PHE 61 2.408 -5.940 -1.100 552 QD PHE 61 QD PHE 61 0.792 -6.162 0.085 553 QE PHE 61 QE PHE 61 -0.665 -6.105 2.061 554 QR PHE 61 QR PHE 61 -0.220 -6.117 1.467 555 H PHE 62 H PHE 62 0.427 -5.344 -4.388 556 HA PHE 62 HA PHE 62 2.982 -4.080 -4.579 557 1HB PHE 62 2HB PHE 62 2.432 -5.176 -6.769 558 2HB PHE 62 1HB PHE 62 0.969 -4.196 -6.861 559 HD1 PHE 62 1HD PHE 62 4.644 -4.123 -6.991 560 HD2 PHE 62 2HD PHE 62 1.060 -1.877 -7.522 561 HE1 PHE 62 1HE PHE 62 5.934 -2.320 -8.060 562 HE2 PHE 62 2HE PHE 62 2.346 -0.078 -8.601 563 HZ PHE 62 HZ PHE 62 4.783 -0.301 -8.871 564 QB PHE 62 QB PHE 62 1.700 -4.686 -6.815 565 QD PHE 62 QD PHE 62 2.852 -3.000 -7.256 566 QE PHE 62 QE PHE 62 4.140 -1.199 -8.330 567 QR PHE 62 QR PHE 62 3.754 -1.740 -8.009 568 H GLN 63 H GLN 63 2.886 -2.083 -3.790 569 HA GLN 63 HA GLN 63 0.306 -0.684 -3.745 570 1HB GLN 63 2HB GLN 63 0.697 -2.135 -1.668 571 2HB GLN 63 1HB GLN 63 2.042 -1.086 -1.301 572 1HG GLN 63 2HG GLN 63 -0.825 -0.174 -1.506 573 2HG GLN 63 1HG GLN 63 -0.046 -0.653 -0.014 574 1HE2 GLN 63 1HE2 GLN 63 2.480 0.778 -0.822 575 2HE2 GLN 63 2HE2 GLN 63 2.065 2.451 -0.618 576 QB GLN 63 QB GLN 63 1.369 -1.610 -1.485 577 QG GLN 63 QG GLN 63 -0.436 -0.413 -0.760 578 QE GLN 63 QE2 GLN 63 2.272 1.615 -0.720 579 H TRP 64 H TRP 64 0.649 1.508 -4.040 580 HA TRP 64 HA TRP 64 3.283 2.385 -3.414 581 1HB TRP 64 2HB TRP 64 3.818 3.315 -5.491 582 2HB TRP 64 1HB TRP 64 3.186 1.701 -5.886 583 HD1 TRP 64 HD TRP 64 3.205 5.120 -6.902 584 HE1 TRP 64 1HE TRP 64 1.314 5.679 -8.454 585 HE3 TRP 64 3HE TRP 64 0.303 1.028 -6.083 586 HZ2 TRP 64 2HZ TRP 64 -1.147 4.566 -9.262 587 HZ3 TRP 64 3HZ TRP 64 -1.840 0.871 -7.269 588 HH2 TRP 64 HH TRP 64 -2.534 2.594 -8.849 589 QB TRP 64 QB TRP 64 3.502 2.508 -5.689 590 H LEU 65 H LEU 65 3.404 4.806 -3.648 591 HA LEU 65 HA LEU 65 0.882 6.121 -3.099 592 1HB LEU 65 2HB LEU 65 1.893 7.202 -1.083 593 2HB LEU 65 1HB LEU 65 1.462 5.527 -0.885 594 HG LEU 65 HG LEU 65 4.236 6.389 -1.542 595 1HD1 LEU 65 2HD1 LEU 65 2.951 5.995 1.177 596 2HD1 LEU 65 1HD1 LEU 65 4.689 6.191 0.928 597 3HD1 LEU 65 3HD1 LEU 65 3.598 7.515 0.541 598 1HD2 LEU 65 1HD2 LEU 65 3.804 4.007 -1.804 599 2HD2 LEU 65 3HD2 LEU 65 4.887 4.268 -0.437 600 3HD2 LEU 65 2HD2 LEU 65 3.183 3.914 -0.157 601 MD1 LEU 65 QD1 LEU 65 3.746 6.567 0.882 602 MD2 LEU 65 QD2 LEU 65 3.958 4.063 -0.799 603 QB LEU 65 QB LEU 65 1.678 6.365 -0.984 604 QD LEU 65 QQD LEU 65 3.852 5.315 0.041 605 H GLU 66 H GLU 66 0.767 8.102 -3.878 606 HA GLU 66 HA GLU 66 3.183 9.385 -4.997 607 1HB GLU 66 2HB GLU 66 0.296 10.052 -5.429 608 2HB GLU 66 1HB GLU 66 1.670 10.601 -6.356 609 1HG GLU 66 2HG GLU 66 1.949 8.317 -7.213 610 2HG GLU 66 1HG GLU 66 0.502 7.832 -6.314 611 QB GLU 66 QB GLU 66 0.983 10.327 -5.893 612 QG GLU 66 QG GLU 66 1.226 8.075 -6.764 613 H GLY 67 H GLY 67 3.842 11.160 -3.809 614 1HA GLY 67 1HA GLY 67 2.679 12.053 -1.480 615 2HA GLY 67 2HA GLY 67 1.929 12.963 -2.800 616 QA GLY 67 QA GLY 67 2.304 12.508 -2.140 617 H HIS 68 H HIS 68 3.152 14.621 -1.246 618 HA HIS 68 HA HIS 68 5.485 15.552 -2.610 619 1HB HIS 68 2HB HIS 68 4.117 17.218 -1.465 620 2HB HIS 68 1HB HIS 68 4.204 16.342 0.036 621 HD1 HIS 68 1HD HIS 68 6.074 16.821 1.622 622 HD2 HIS 68 2HD HIS 68 6.313 18.515 -2.074 623 HE1 HIS 68 1HE HIS 68 8.083 18.220 1.797 624 HE2 HIS 68 2HE HIS 68 7.926 19.673 -0.275 625 QB HIS 68 QB HIS 68 4.161 16.780 -0.715 626 HA PRO 69 HA PRO 69 8.595 12.636 -1.401 627 1HB PRO 69 2HB PRO 69 10.413 14.644 -0.443 628 2HB PRO 69 1HB PRO 69 10.478 13.725 -1.940 629 1HG PRO 69 2HG PRO 69 9.360 16.420 -1.443 630 2HG PRO 69 1HG PRO 69 9.983 15.704 -2.956 631 1HD PRO 69 2HD PRO 69 7.395 16.165 -2.596 632 2HD PRO 69 1HD PRO 69 7.928 14.683 -3.420 633 QB PRO 69 QB PRO 69 10.446 14.184 -1.192 634 QG PRO 69 QG PRO 69 9.672 16.062 -2.200 635 QD PRO 69 QD PRO 69 7.661 15.424 -3.008 636 H ALA 70 H ALA 70 8.727 15.217 1.043 637 HA ALA 70 HA ALA 70 9.523 13.320 2.977 638 1HB ALA 70 2HB ALA 70 10.249 15.577 3.210 639 2HB ALA 70 3HB ALA 70 9.246 15.062 4.593 640 3HB ALA 70 1HB ALA 70 8.531 16.093 3.347 641 MB ALA 70 QB ALA 70 9.342 15.577 3.717 642 H ALA 71 H ALA 71 6.466 14.303 2.034 643 HA ALA 71 HA ALA 71 5.113 13.452 4.369 644 1HB ALA 71 3HB ALA 71 4.340 13.513 1.527 645 2HB ALA 71 2HB ALA 71 3.186 13.223 2.818 646 3HB ALA 71 1HB ALA 71 4.025 14.820 2.682 647 MB ALA 71 QB ALA 71 3.850 13.852 2.342 648 H VAL 72 H VAL 72 6.056 12.111 1.334 649 HA VAL 72 HA VAL 72 4.920 9.504 1.496 650 HB VAL 72 HB VAL 72 7.534 9.930 0.122 651 1HG1 VAL 72 1HG1 VAL 72 6.364 7.853 -0.069 652 2HG1 VAL 72 3HG1 VAL 72 4.964 8.753 -0.684 653 3HG1 VAL 72 2HG1 VAL 72 6.473 8.717 -1.636 654 1HG2 VAL 72 3HG2 VAL 72 5.002 11.203 -0.821 655 2HG2 VAL 72 2HG2 VAL 72 6.530 11.979 -0.337 656 3HG2 VAL 72 1HG2 VAL 72 6.472 10.967 -1.791 657 MG1 VAL 72 QG1 VAL 72 5.933 8.441 -0.796 658 MG2 VAL 72 QG2 VAL 72 6.001 11.383 -0.983 659 QG VAL 72 QQG VAL 72 5.967 9.912 -0.890 660 H ALA 73 H ALA 73 8.062 10.850 2.296 661 HA ALA 73 HA ALA 73 9.077 8.433 3.281 662 1HB ALA 73 1HB ALA 73 9.952 11.223 3.844 663 2HB ALA 73 3HB ALA 73 10.745 9.684 4.301 664 3HB ALA 73 2HB ALA 73 10.538 10.073 2.574 665 MB ALA 73 QB ALA 73 10.411 10.327 3.573 666 H GLU 74 H GLU 74 7.500 11.149 4.865 667 HA GLU 74 HA GLU 74 7.731 10.283 7.560 668 1HB GLU 74 2HB GLU 74 6.848 12.549 6.775 669 2HB GLU 74 1HB GLU 74 5.417 11.731 6.207 670 1HG GLU 74 2HG GLU 74 6.097 11.526 9.104 671 2HG GLU 74 1HG GLU 74 5.486 13.058 8.493 672 QB GLU 74 QB GLU 74 6.132 12.140 6.491 673 QG GLU 74 QG GLU 74 5.791 12.292 8.799 674 H VAL 75 H VAL 75 5.334 9.652 5.129 675 HA VAL 75 HA VAL 75 3.980 7.675 6.489 676 HB VAL 75 HB VAL 75 4.344 8.270 3.556 677 1HG1 VAL 75 1HG1 VAL 75 2.627 6.101 4.748 678 2HG1 VAL 75 3HG1 VAL 75 2.592 6.694 3.080 679 3HG1 VAL 75 2HG1 VAL 75 4.039 5.895 3.688 680 1HG2 VAL 75 1HG2 VAL 75 2.066 8.508 5.497 681 2HG2 VAL 75 3HG2 VAL 75 2.988 9.823 4.758 682 3HG2 VAL 75 2HG2 VAL 75 1.936 8.798 3.772 683 MG1 VAL 75 QG1 VAL 75 3.086 6.230 3.839 684 MG2 VAL 75 QG2 VAL 75 2.330 9.043 4.676 685 QG VAL 75 QQG VAL 75 2.708 7.636 4.257 686 H MET 76 H MET 76 6.771 7.205 4.102 687 HA MET 76 HA MET 76 7.075 4.550 4.348 688 1HB MET 76 2HB MET 76 9.193 6.662 4.207 689 2HB MET 76 1HB MET 76 9.529 4.994 3.938 690 1HG MET 76 2HG MET 76 7.503 6.411 2.333 691 2HG MET 76 1HG MET 76 9.205 6.531 1.874 692 1HE MET 76 3HE MET 76 6.045 4.577 2.234 693 2HE MET 76 2HE MET 76 6.281 3.020 1.414 694 3HE MET 76 1HE MET 76 6.981 3.318 3.023 695 QB MET 76 QB MET 76 9.361 5.828 4.073 696 QG MET 76 QG MET 76 8.354 6.471 2.104 697 ME MET 76 QE MET 76 6.436 3.638 2.224 698 H SER 77 H SER 77 8.612 6.933 6.501 699 HA SER 77 HA SER 77 9.843 4.988 8.171 700 1HB SER 77 2HB SER 77 8.965 7.787 8.923 701 2HB SER 77 1HB SER 77 10.246 6.836 9.674 702 HG SER 77 HG SER 77 10.264 8.329 7.364 703 QB SER 77 QB SER 77 9.605 7.312 9.298 704 H HIS 78 H HIS 78 6.622 6.328 8.263 705 HA HIS 78 HA HIS 78 6.058 5.004 10.736 706 1HB HIS 78 2HB HIS 78 4.244 6.312 8.717 707 2HB HIS 78 1HB HIS 78 3.587 5.395 10.063 708 HD1 HIS 78 1HD HIS 78 2.930 6.861 11.909 709 HD2 HIS 78 2HD HIS 78 6.179 8.408 9.875 710 HE1 HIS 78 1HE HIS 78 3.406 9.072 12.991 711 HE2 HIS 78 2HE HIS 78 4.929 10.103 11.326 712 QB HIS 78 QB HIS 78 3.915 5.854 9.390 713 H ILE 79 H ILE 79 5.844 4.048 7.382 714 HA ILE 79 HA ILE 79 4.301 1.647 8.043 715 HB ILE 79 HB ILE 79 5.716 1.978 5.398 716 1HG1 ILE 79 2HG1 ILE 79 3.061 3.231 6.151 717 2HG1 ILE 79 1HG1 ILE 79 4.584 3.971 5.615 718 1HG2 ILE 79 3HG2 ILE 79 4.675 -0.150 5.903 719 2HG2 ILE 79 2HG2 ILE 79 3.139 0.663 6.218 720 3HG2 ILE 79 1HG2 ILE 79 3.830 0.679 4.591 721 1HD1 ILE 79 3HD1 ILE 79 4.373 3.039 3.418 722 2HD1 ILE 79 2HD1 ILE 79 2.928 2.152 3.895 723 3HD1 ILE 79 1HD1 ILE 79 2.888 3.910 3.818 724 MG ILE 79 QG2 ILE 79 3.882 0.397 5.571 725 MD ILE 79 QD1 ILE 79 3.396 3.034 3.710 726 QG ILE 79 QG1 ILE 79 3.822 3.601 5.883 727 H GLN 80 H GLN 80 7.604 2.366 6.972 728 HA GLN 80 HA GLN 80 8.487 -0.249 6.723 729 1HB GLN 80 2HB GLN 80 10.117 2.258 7.199 730 2HB GLN 80 1HB GLN 80 10.769 0.726 6.626 731 1HG GLN 80 2HG GLN 80 8.746 2.467 5.154 732 2HG GLN 80 1HG GLN 80 10.390 2.099 4.680 733 1HE2 GLN 80 1HE2 GLN 80 7.583 1.533 3.798 734 2HE2 GLN 80 2HE2 GLN 80 7.749 -0.129 3.348 735 QB GLN 80 QB GLN 80 10.443 1.492 6.913 736 QG GLN 80 QG GLN 80 9.568 2.283 4.917 737 QE GLN 80 QE2 GLN 80 7.666 0.702 3.573 738 H ARG 81 H ARG 81 7.732 1.122 9.628 739 HA ARG 81 HA ARG 81 9.590 -0.613 11.084 740 1HB ARG 81 2HB ARG 81 7.432 1.189 12.205 741 2HB ARG 81 1HB ARG 81 8.763 0.460 13.088 742 1HG ARG 81 2HG ARG 81 8.913 2.648 11.044 743 2HG ARG 81 1HG ARG 81 9.291 2.704 12.775 744 1HD ARG 81 2HD ARG 81 11.264 1.448 12.496 745 2HD ARG 81 1HD ARG 81 10.778 0.884 10.905 746 HE ARG 81 HE ARG 81 11.381 3.702 11.389 747 1HH1 ARG 81 1HH1 ARG 81 12.019 0.681 9.648 748 2HH1 ARG 81 2HH1 ARG 81 12.906 1.418 8.409 749 1HH2 ARG 81 1HH2 ARG 81 12.570 4.711 9.641 750 2HH2 ARG 81 2HH2 ARG 81 13.202 3.785 8.373 751 QB ARG 81 QB ARG 81 8.097 0.824 12.646 752 QG ARG 81 QG ARG 81 9.102 2.676 11.910 753 QD ARG 81 QD ARG 81 11.021 1.166 11.700 754 QH1 ARG 81 QH1 ARG 81 12.463 1.049 9.028 755 QH2 ARG 81 QH2 ARG 81 12.886 4.248 9.007 756 H ASP 82 H ASP 82 7.211 -1.370 9.288 757 HA ASP 82 HA ASP 82 5.222 -2.643 10.702 758 1HB ASP 82 2HB ASP 82 4.755 -3.641 8.536 759 2HB ASP 82 1HB ASP 82 5.209 -1.972 8.391 760 QB ASP 82 QB ASP 82 4.982 -2.806 8.464 761 H ARG 83 H ARG 83 5.707 -5.163 8.943 762 HA ARG 83 HA ARG 83 7.069 -7.176 9.628 763 1HB ARG 83 2HB ARG 83 6.454 -8.110 11.816 764 2HB ARG 83 1HB ARG 83 7.087 -6.495 12.070 765 1HG ARG 83 2HG ARG 83 4.539 -5.845 11.984 766 2HG ARG 83 1HG ARG 83 4.324 -7.541 12.416 767 1HD ARG 83 2HD ARG 83 4.430 -6.307 14.452 768 2HD ARG 83 1HD ARG 83 5.963 -7.163 14.281 769 HE ARG 83 HE ARG 83 6.735 -4.931 13.264 770 1HH1 ARG 83 1HH1 ARG 83 4.513 -5.239 15.997 771 2HH1 ARG 83 2HH1 ARG 83 4.884 -3.715 16.657 772 1HH2 ARG 83 1HH2 ARG 83 7.200 -2.815 14.133 773 2HH2 ARG 83 2HH2 ARG 83 6.442 -2.309 15.571 774 QB ARG 83 QB ARG 83 6.771 -7.302 11.943 775 QG ARG 83 QG ARG 83 4.431 -6.693 12.200 776 QD ARG 83 QD ARG 83 5.196 -6.735 14.367 777 QH1 ARG 83 QH1 ARG 83 4.698 -4.477 16.327 778 QH2 ARG 83 QH2 ARG 83 6.821 -2.562 14.852 779 H ARG 84 H ARG 84 4.093 -5.659 9.663 780 HA ARG 84 HA ARG 84 2.084 -7.478 9.214 781 1HB ARG 84 2HB ARG 84 2.653 -4.743 8.181 782 2HB ARG 84 1HB ARG 84 1.179 -5.562 7.747 783 1HG ARG 84 2HG ARG 84 0.489 -5.624 10.050 784 2HG ARG 84 1HG ARG 84 2.058 -4.976 10.569 785 1HD ARG 84 2HD ARG 84 1.651 -2.913 9.508 786 2HD ARG 84 1HD ARG 84 0.288 -3.579 8.620 787 HE ARG 84 HE ARG 84 -0.765 -3.807 10.882 788 1HH1 ARG 84 1HH1 ARG 84 1.492 -1.164 10.094 789 2HH1 ARG 84 2HH1 ARG 84 0.740 -0.022 11.096 790 1HH2 ARG 84 1HH2 ARG 84 -1.746 -2.211 12.309 791 2HH2 ARG 84 2HH2 ARG 84 -1.191 -0.606 12.375 792 QB ARG 84 QB ARG 84 1.916 -5.152 7.964 793 QG ARG 84 QG ARG 84 1.273 -5.300 10.309 794 QD ARG 84 QD ARG 84 0.969 -3.246 9.064 795 QH1 ARG 84 QH1 ARG 84 1.116 -0.593 10.595 796 QH2 ARG 84 QH2 ARG 84 -1.469 -1.408 12.342 797 H HIS 85 H HIS 85 3.836 -5.809 6.756 798 HA HIS 85 HA HIS 85 2.887 -7.672 4.722 799 1HB HIS 85 2HB HIS 85 3.378 -5.849 3.051 800 2HB HIS 85 1HB HIS 85 2.052 -5.509 4.153 801 HD1 HIS 85 1HD HIS 85 3.034 -2.952 2.955 802 HD2 HIS 85 2HD HIS 85 5.017 -4.597 6.225 803 HE1 HIS 85 1HE HIS 85 4.432 -1.160 4.083 804 HE2 HIS 85 2HE HIS 85 5.640 -2.281 5.840 805 QB HIS 85 QB HIS 85 2.715 -5.679 3.602 806 H SER 86 H SER 86 4.262 -9.142 4.341 807 HA SER 86 HA SER 86 6.274 -9.873 5.328 808 1HB SER 86 2HB SER 86 5.304 -10.003 2.868 809 2HB SER 86 1HB SER 86 6.952 -10.807 2.890 810 HG SER 86 HG SER 86 4.911 -12.028 3.266 811 QB SER 86 QB SER 86 6.128 -10.405 2.879 812 H ASN 87 H ASN 87 7.113 -7.706 2.889 813 HA ASN 87 HA ASN 87 9.735 -7.454 4.175 814 1HB ASN 87 2HB ASN 87 9.608 -7.637 1.170 815 2HB ASN 87 1HB ASN 87 11.052 -7.347 2.104 816 1HD2 ASN 87 1HD2 ASN 87 10.505 -9.274 0.155 817 2HD2 ASN 87 2HD2 ASN 87 10.695 -10.834 0.901 818 QB ASN 87 QB ASN 87 10.330 -7.492 1.637 819 QD ASN 87 QD2 ASN 87 10.600 -10.054 0.528 820 H VAL 88 H VAL 88 7.394 -6.039 2.607 821 HA VAL 88 HA VAL 88 7.267 -4.353 1.109 822 HB VAL 88 HB VAL 88 6.226 -3.702 3.078 823 1HG1 VAL 88 2HG1 VAL 88 8.722 -2.385 3.913 824 2HG1 VAL 88 1HG1 VAL 88 7.110 -2.141 4.605 825 3HG1 VAL 88 3HG1 VAL 88 7.824 -3.782 4.663 826 1HG2 VAL 88 2HG2 VAL 88 6.152 -2.134 1.260 827 2HG2 VAL 88 1HG2 VAL 88 6.168 -1.269 2.805 828 3HG2 VAL 88 3HG2 VAL 88 7.641 -1.385 1.847 829 MG1 VAL 88 QG1 VAL 88 7.885 -2.769 4.394 830 MG2 VAL 88 QG2 VAL 88 6.654 -1.596 1.970 831 QG VAL 88 QQG VAL 88 7.270 -2.183 3.182 832 H GLU 89 H GLU 89 8.873 -4.829 -0.197 833 HA GLU 89 HA GLU 89 11.268 -3.242 -0.013 834 1HB GLU 89 2HB GLU 89 10.200 -5.190 -1.987 835 2HB GLU 89 1HB GLU 89 11.745 -4.385 -2.211 836 1HG GLU 89 2HG GLU 89 12.730 -5.476 -0.452 837 2HG GLU 89 1HG GLU 89 11.187 -5.827 0.312 838 QB GLU 89 QB GLU 89 10.972 -4.788 -2.099 839 QG GLU 89 QG GLU 89 11.958 -5.652 -0.070 840 H ILE 90 H ILE 90 10.229 -1.271 -0.039 841 HA ILE 90 HA ILE 90 8.844 0.059 -2.098 842 HB ILE 90 HB ILE 90 11.328 1.310 -0.940 843 1HG1 ILE 90 2HG1 ILE 90 10.313 0.228 0.979 844 2HG1 ILE 90 1HG1 ILE 90 10.145 1.972 1.099 845 1HG2 ILE 90 2HG2 ILE 90 8.564 2.437 -1.446 846 2HG2 ILE 90 1HG2 ILE 90 9.879 3.347 -0.785 847 3HG2 ILE 90 3HG2 ILE 90 10.004 2.753 -2.444 848 1HD1 ILE 90 2HD1 ILE 90 7.886 1.796 0.261 849 2HD1 ILE 90 1HD1 ILE 90 8.057 0.038 0.218 850 3HD1 ILE 90 3HD1 ILE 90 8.111 0.897 1.766 851 MG ILE 90 QG2 ILE 90 9.482 2.845 -1.559 852 MD ILE 90 QD1 ILE 90 8.018 0.911 0.748 853 QG ILE 90 QG1 ILE 90 10.229 1.100 1.039 854 H LEU 91 H LEU 91 12.147 0.149 -1.832 855 HA LEU 91 HA LEU 91 13.897 0.153 -3.251 856 1HB LEU 91 2HB LEU 91 12.197 -1.829 -4.732 857 2HB LEU 91 1HB LEU 91 13.888 -1.535 -5.083 858 HG LEU 91 HG LEU 91 12.765 -2.681 -2.506 859 1HD1 LEU 91 1HD1 LEU 91 14.442 -3.899 -4.684 860 2HD1 LEU 91 3HD1 LEU 91 13.974 -4.680 -3.176 861 3HD1 LEU 91 2HD1 LEU 91 12.741 -4.235 -4.357 862 1HD2 LEU 91 1HD2 LEU 91 15.623 -2.085 -3.291 863 2HD2 LEU 91 3HD2 LEU 91 14.707 -1.283 -2.014 864 3HD2 LEU 91 2HD2 LEU 91 15.114 -2.985 -1.861 865 MD1 LEU 91 QD1 LEU 91 13.719 -4.271 -4.072 866 MD2 LEU 91 QD2 LEU 91 15.148 -2.118 -2.389 867 QB LEU 91 QB LEU 91 13.042 -1.682 -4.908 868 QD LEU 91 QQD LEU 91 14.434 -3.194 -3.231 869 H ALA 92 H ALA 92 10.973 1.272 -4.441 870 HA ALA 92 HA ALA 92 12.403 2.774 -6.537 871 1HB ALA 92 1HB ALA 92 11.010 1.136 -7.639 872 2HB ALA 92 2HB ALA 92 10.308 2.741 -7.852 873 3HB ALA 92 3HB ALA 92 9.624 1.631 -6.668 874 MB ALA 92 QB ALA 92 10.314 1.836 -7.386 875 H GLU 93 H GLU 93 12.489 4.774 -5.806 876 HA GLU 93 HA GLU 93 9.997 6.026 -4.966 877 1HB GLU 93 2HB GLU 93 12.703 6.724 -3.704 878 2HB GLU 93 1HB GLU 93 11.092 7.298 -3.279 879 1HG GLU 93 2HG GLU 93 10.422 5.264 -2.500 880 2HG GLU 93 1HG GLU 93 11.961 4.495 -2.921 881 QB GLU 93 QB GLU 93 11.897 7.011 -3.491 882 QG GLU 93 QG GLU 93 11.192 4.879 -2.711 883 H GLU 94 H GLU 94 9.598 7.352 -6.565 884 HA GLU 94 HA GLU 94 11.838 8.703 -7.863 885 1HB GLU 94 2HB GLU 94 10.465 8.299 -10.036 886 2HB GLU 94 1HB GLU 94 11.459 6.995 -9.395 887 1HG GLU 94 2HG GLU 94 9.374 6.130 -8.262 888 2HG GLU 94 1HG GLU 94 8.475 7.324 -9.188 889 QB GLU 94 QB GLU 94 10.962 7.647 -9.716 890 QG GLU 94 QG GLU 94 8.924 6.727 -8.725 891 H SER 95 H SER 95 11.520 10.770 -8.526 892 HA SER 95 HA SER 95 9.372 12.122 -7.247 893 1HB SER 95 2HB SER 95 11.625 13.059 -7.284 894 2HB SER 95 1HB SER 95 11.538 13.261 -9.039 895 HG SER 95 HG SER 95 9.514 14.392 -7.460 896 QB SER 95 QB SER 95 11.582 13.160 -8.161 897 H ILE 96 H ILE 96 7.519 12.527 -8.038 898 HA ILE 96 HA ILE 96 7.071 12.401 -10.971 899 HB ILE 96 HB ILE 96 4.861 11.754 -10.575 900 1HG1 ILE 96 2HG1 ILE 96 5.577 11.071 -7.740 901 2HG1 ILE 96 1HG1 ILE 96 4.834 12.612 -8.117 902 1HG2 ILE 96 1HG2 ILE 96 6.532 10.117 -11.102 903 2HG2 ILE 96 3HG2 ILE 96 6.947 9.921 -9.401 904 3HG2 ILE 96 2HG2 ILE 96 5.364 9.391 -9.987 905 1HD1 ILE 96 3HD1 ILE 96 3.632 9.947 -8.781 906 2HD1 ILE 96 2HD1 ILE 96 3.295 10.927 -7.338 907 3HD1 ILE 96 1HD1 ILE 96 2.914 11.555 -8.943 908 MG ILE 96 QG2 ILE 96 6.281 9.810 -10.163 909 MD ILE 96 QD1 ILE 96 3.280 10.810 -8.354 910 QG ILE 96 QG1 ILE 96 5.205 11.842 -7.928 911 H ALA 97 H ALA 97 5.045 13.386 -11.698 912 HA ALA 97 HA ALA 97 4.811 16.044 -10.554 913 1HB ALA 97 3HB ALA 97 5.128 15.687 -13.026 914 2HB ALA 97 1HB ALA 97 3.729 16.705 -12.550 915 3HB ALA 97 2HB ALA 97 3.464 15.025 -12.964 916 MB ALA 97 QB ALA 97 4.107 15.806 -12.847 917 H LYS 98 H LYS 98 3.413 13.320 -10.732 918 HA LYS 98 HA LYS 98 1.473 12.275 -10.268 919 1HB LYS 98 2HB LYS 98 2.319 13.464 -8.205 920 2HB LYS 98 1HB LYS 98 0.997 14.550 -8.574 921 1HG LYS 98 2HG LYS 98 0.060 11.893 -8.636 922 2HG LYS 98 1HG LYS 98 1.096 12.200 -7.288 923 1HD LYS 98 2HD LYS 98 -0.728 14.341 -7.581 924 2HD LYS 98 1HD LYS 98 -1.539 12.784 -7.227 925 1HE LYS 98 2HE LYS 98 0.154 12.415 -5.639 926 2HE LYS 98 1HE LYS 98 0.725 14.083 -5.866 927 1HZ LYS 98 1HZ LYS 98 -2.028 13.326 -4.988 928 2HZ LYS 98 3HZ LYS 98 -0.886 13.922 -3.894 929 3HZ LYS 98 2HZ LYS 98 -1.486 14.891 -5.164 930 QB LYS 98 QB LYS 98 1.658 14.007 -8.390 931 QD LYS 98 QD LYS 98 -1.133 13.562 -7.404 932 QG LYS 98 QG LYS 98 0.578 12.046 -7.962 933 QE LYS 98 QE LYS 98 0.439 13.249 -5.753 934 QZ LYS 98 QZ LYS 98 -1.467 14.046 -4.682 935 H ARG 99 H ARG 99 -0.898 12.622 -9.969 936 HA ARG 99 HA ARG 99 -2.709 14.450 -10.465 937 1HB ARG 99 2HB ARG 99 -1.420 15.097 -12.627 938 2HB ARG 99 1HB ARG 99 -1.992 13.590 -13.294 939 1HG ARG 99 2HG ARG 99 -3.497 15.235 -14.104 940 2HG ARG 99 1HG ARG 99 -4.362 14.395 -12.818 941 1HD ARG 99 2HD ARG 99 -4.789 16.693 -12.481 942 2HD ARG 99 1HD ARG 99 -3.588 16.254 -11.267 943 HE ARG 99 HE ARG 99 -2.753 17.445 -13.806 944 1HH1 ARG 99 1HH1 ARG 99 -2.947 17.747 -10.240 945 2HH1 ARG 99 2HH1 ARG 99 -1.971 19.121 -10.170 946 1HH2 ARG 99 1HH2 ARG 99 -1.458 19.417 -13.671 947 2HH2 ARG 99 2HH2 ARG 99 -1.093 20.122 -12.181 948 QB ARG 99 QB ARG 99 -1.706 14.344 -12.961 949 QG ARG 99 QG ARG 99 -3.930 14.815 -13.461 950 QD ARG 99 QD ARG 99 -4.188 16.473 -11.874 951 QH1 ARG 99 QH1 ARG 99 -2.459 18.434 -10.205 952 QH2 ARG 99 QH2 ARG 99 -1.276 19.770 -12.926 953 H ARG 100 H ARG 100 -1.567 11.557 -11.460 954 HA ARG 100 HA ARG 100 -3.459 10.015 -12.587 955 1HB ARG 100 2HB ARG 100 -1.575 9.203 -10.409 956 2HB ARG 100 1HB ARG 100 -2.281 8.137 -11.626 957 1HG ARG 100 2HG ARG 100 -1.077 9.130 -13.365 958 2HG ARG 100 1HG ARG 100 -0.719 10.553 -12.365 959 1HD ARG 100 2HD ARG 100 1.249 9.165 -12.667 960 2HD ARG 100 1HD ARG 100 0.751 9.231 -10.986 961 HE ARG 100 HE ARG 100 -0.112 6.951 -12.565 962 1HH1 ARG 100 1HH1 ARG 100 1.721 8.220 -9.877 963 2HH1 ARG 100 2HH1 ARG 100 2.663 6.813 -9.583 964 1HH2 ARG 100 1HH2 ARG 100 1.031 4.879 -12.093 965 2HH2 ARG 100 2HH2 ARG 100 2.186 4.833 -10.849 966 QB ARG 100 QB ARG 100 -1.928 8.670 -11.017 967 QG ARG 100 QG ARG 100 -0.898 9.841 -12.865 968 QD ARG 100 QD ARG 100 1.000 9.198 -11.826 969 QH1 ARG 100 QH1 ARG 100 2.192 7.516 -9.730 970 QH2 ARG 100 QH2 ARG 100 1.608 4.856 -11.471 971 H PHE 101 H PHE 101 -3.112 10.370 -8.999 972 HA PHE 101 HA PHE 101 -5.854 9.416 -8.837 973 1HB PHE 101 2HB PHE 101 -3.462 8.649 -7.169 974 2HB PHE 101 1HB PHE 101 -5.112 8.419 -6.592 975 HD1 PHE 101 1HD PHE 101 -6.415 6.646 -7.374 976 HD2 PHE 101 2HD PHE 101 -2.645 7.425 -9.156 977 HE1 PHE 101 1HE PHE 101 -6.534 4.490 -8.544 978 HE2 PHE 101 2HE PHE 101 -2.758 5.275 -10.343 979 HZ PHE 101 HZ PHE 101 -4.711 3.806 -10.032 980 QB PHE 101 QB PHE 101 -4.287 8.534 -6.881 981 QD PHE 101 QD PHE 101 -4.530 7.036 -8.265 982 QE PHE 101 QE PHE 101 -4.646 4.882 -9.443 983 QR PHE 101 QR PHE 101 -4.613 5.528 -9.090 984 H ALA 102 H ALA 102 -7.017 10.249 -7.115 985 HA ALA 102 HA ALA 102 -5.872 12.636 -5.855 986 1HB ALA 102 1HB ALA 102 -7.706 13.189 -7.412 987 2HB ALA 102 2HB ALA 102 -8.150 13.548 -5.740 988 3HB ALA 102 3HB ALA 102 -8.771 12.097 -6.528 989 MB ALA 102 QB ALA 102 -8.209 12.945 -6.560 990 H GLY 103 H GLY 103 -6.840 9.515 -5.392 991 1HA GLY 103 1HA GLY 103 -8.188 9.138 -3.165 992 2HA GLY 103 2HA GLY 103 -6.701 9.872 -2.555 993 QA GLY 103 QA GLY 103 -7.445 9.505 -2.860 994 H TRP 104 H TRP 104 -6.288 7.919 -1.468 995 HA TRP 104 HA TRP 104 -4.910 5.988 -3.102 996 1HB TRP 104 2HB TRP 104 -3.722 6.759 -1.174 997 2HB TRP 104 1HB TRP 104 -5.100 6.504 -0.141 998 HD1 TRP 104 HD TRP 104 -1.998 4.769 -1.380 999 HE1 TRP 104 1HE TRP 104 -1.851 2.498 -0.307 1000 HE3 TRP 104 3HE TRP 104 -6.634 4.595 0.712 1001 HZ2 TRP 104 2HZ TRP 104 -3.558 0.816 1.291 1002 HZ3 TRP 104 3HZ TRP 104 -7.297 2.850 1.896 1003 HH2 TRP 104 HH TRP 104 -5.889 0.925 2.252 1004 QB TRP 104 QB TRP 104 -4.411 6.632 -0.658 1005 H HIS 105 H HIS 105 -5.386 3.732 -3.186 1006 HA HIS 105 HA HIS 105 -8.180 3.068 -2.506 1007 1HB HIS 105 2HB HIS 105 -6.539 2.473 -4.936 1008 2HB HIS 105 1HB HIS 105 -8.036 1.603 -4.575 1009 HD1 HIS 105 1HD HIS 105 -6.710 5.021 -5.528 1010 HD2 HIS 105 2HD HIS 105 -10.311 2.944 -5.341 1011 HE1 HIS 105 1HE HIS 105 -8.368 6.408 -6.777 1012 HE2 HIS 105 2HE HIS 105 -10.350 4.924 -6.980 1013 QB HIS 105 QB HIS 105 -7.288 2.038 -4.756 1014 H MET 106 H MET 106 -8.573 0.755 -2.174 1015 HA MET 106 HA MET 106 -6.262 -0.980 -1.774 1016 1HB MET 106 2HB MET 106 -7.166 0.378 0.372 1017 2HB MET 106 1HB MET 106 -8.369 -0.895 0.343 1018 1HG MET 106 2HG MET 106 -5.391 -1.223 0.639 1019 2HG MET 106 1HG MET 106 -6.582 -1.411 1.897 1020 1HE MET 106 1HE MET 106 -4.355 -3.547 1.444 1021 2HE MET 106 3HE MET 106 -5.646 -3.818 2.631 1022 3HE MET 106 2HE MET 106 -5.207 -5.067 1.429 1023 QB MET 106 QB MET 106 -7.768 -0.259 0.357 1024 QG MET 106 QG MET 106 -5.987 -1.317 1.268 1025 ME MET 106 QE MET 106 -5.069 -4.144 1.835 1026 H GLN 107 H GLN 107 -6.904 -3.071 -2.327 1027 HA GLN 107 HA GLN 107 -9.509 -3.368 -3.525 1028 1HB GLN 107 2HB GLN 107 -7.505 -5.546 -2.960 1029 2HB GLN 107 1HB GLN 107 -8.894 -5.644 -4.026 1030 1HG GLN 107 2HG GLN 107 -7.811 -3.892 -5.438 1031 2HG GLN 107 1HG GLN 107 -6.377 -4.044 -4.426 1032 1HE2 GLN 107 1HE2 GLN 107 -8.535 -6.645 -5.411 1033 2HE2 GLN 107 2HE2 GLN 107 -7.375 -7.500 -6.348 1034 QB GLN 107 QB GLN 107 -8.199 -5.595 -3.493 1035 QG GLN 107 QG GLN 107 -7.094 -3.968 -4.932 1036 QE GLN 107 QE2 GLN 107 -7.955 -7.073 -5.880 1037 H LEU 108 H LEU 108 -7.890 -4.515 -0.607 1038 HA LEU 108 HA LEU 108 -10.095 -6.223 0.044 1039 1HB LEU 108 2HB LEU 108 -7.647 -5.486 1.628 1040 2HB LEU 108 1HB LEU 108 -8.896 -6.553 2.231 1041 HG LEU 108 HG LEU 108 -7.182 -7.070 -0.207 1042 1HD1 LEU 108 3HD1 LEU 108 -7.133 -8.272 2.557 1043 2HD1 LEU 108 2HD1 LEU 108 -6.201 -8.854 1.179 1044 3HD1 LEU 108 1HD1 LEU 108 -5.901 -7.242 1.831 1045 1HD2 LEU 108 3HD2 LEU 108 -9.260 -8.788 1.158 1046 2HD2 LEU 108 2HD2 LEU 108 -9.373 -8.081 -0.456 1047 3HD2 LEU 108 1HD2 LEU 108 -8.181 -9.326 -0.127 1048 MD1 LEU 108 QD1 LEU 108 -6.411 -8.123 1.856 1049 MD2 LEU 108 QD2 LEU 108 -8.938 -8.732 0.192 1050 QB LEU 108 QB LEU 108 -8.271 -6.019 1.929 1051 QD LEU 108 QQD LEU 108 -7.675 -8.427 1.024 1052 H SER 109 H SER 109 -11.808 -5.770 0.956 1053 HA SER 109 HA SER 109 -12.104 -3.443 2.661 1054 1HB SER 109 2HB SER 109 -14.414 -3.344 1.439 1055 2HB SER 109 1HB SER 109 -13.007 -2.724 0.576 1056 HG SER 109 HG SER 109 -12.932 -4.501 -0.649 1057 QB SER 109 QB SER 109 -13.711 -3.034 1.008 1058 H CYS 110 H CYS 110 -14.868 -4.079 3.194 1059 HA CYS 110 HA CYS 110 -14.628 -6.353 4.858 1060 1HB CYS 110 2HB CYS 110 -17.114 -4.908 3.909 1061 2HB CYS 110 1HB CYS 110 -17.082 -6.112 5.195 1062 HG CYS 110 HG CYS 110 -15.183 -3.309 5.380 1063 QB CYS 110 QB CYS 110 -17.098 -5.510 4.552 1064 H SER 111 H SER 111 -13.940 -7.950 3.705 1065 HA SER 111 HA SER 111 -13.900 -9.844 2.549 1066 1HB SER 111 2HB SER 111 -16.776 -9.382 1.750 1067 2HB SER 111 1HB SER 111 -15.907 -10.903 1.733 1068 HG SER 111 HG SER 111 -16.972 -11.036 3.579 1069 QB SER 111 QB SER 111 -16.341 -10.143 1.741 1070 H GLU 112 H GLU 112 -14.161 -10.618 0.205 1071 HA GLU 112 HA GLU 112 -13.538 -8.346 -1.517 1072 1HB GLU 112 2HB GLU 112 -12.439 -10.387 -2.839 1073 2HB GLU 112 1HB GLU 112 -11.597 -9.557 -1.543 1074 1HG GLU 112 2HG GLU 112 -11.410 -12.051 -1.366 1075 2HG GLU 112 1HG GLU 112 -12.178 -11.270 0.027 1076 QB GLU 112 QB GLU 112 -12.018 -9.972 -2.191 1077 QG GLU 112 QG GLU 112 -11.794 -11.661 -0.670 1078 H ALA 113 H ALA 113 -15.388 -11.208 -1.151 1079 HA ALA 113 HA ALA 113 -17.244 -11.993 -1.956 1080 1HB ALA 113 3HB ALA 113 -18.776 -10.725 -3.330 1081 2HB ALA 113 2HB ALA 113 -18.122 -9.673 -2.075 1082 3HB ALA 113 1HB ALA 113 -17.510 -9.565 -3.727 1083 MB ALA 113 QB ALA 113 -18.136 -9.988 -3.044 1084 H ASP 114 H ASP 114 -17.181 -13.683 -2.898 1085 HA ASP 114 HA ASP 114 -17.219 -15.263 -4.433 1086 1HB ASP 114 2HB ASP 114 -18.398 -13.706 -5.881 1087 2HB ASP 114 1HB ASP 114 -16.867 -13.129 -6.531 1088 QB ASP 114 QB ASP 114 -17.633 -13.417 -6.206 1089 H MET 115 H MET 115 -14.452 -13.155 -4.754 1090 HA MET 115 HA MET 115 -12.952 -15.232 -6.145 1091 1HB MET 115 2HB MET 115 -11.053 -13.726 -6.143 1092 2HB MET 115 1HB MET 115 -12.481 -12.858 -6.672 1093 1HG MET 115 2HG MET 115 -12.674 -11.830 -4.475 1094 2HG MET 115 1HG MET 115 -11.267 -12.730 -3.920 1095 1HE MET 115 3HE MET 115 -8.812 -12.402 -4.939 1096 2HE MET 115 2HE MET 115 -9.390 -12.557 -6.597 1097 3HE MET 115 1HE MET 115 -8.400 -11.177 -6.142 1098 QB MET 115 QB MET 115 -11.767 -13.292 -6.407 1099 QG MET 115 QG MET 115 -11.970 -12.280 -4.197 1100 ME MET 115 QE MET 115 -8.867 -12.045 -5.893 1101 H ARG 116 H ARG 116 -13.843 -14.837 -3.154 1102 HA ARG 116 HA ARG 116 -11.800 -15.403 -1.437 1103 1HB ARG 116 2HB ARG 116 -13.501 -16.497 0.004 1104 2HB ARG 116 1HB ARG 116 -13.947 -14.908 -0.593 1105 1HG ARG 116 2HG ARG 116 -15.344 -15.974 -2.310 1106 2HG ARG 116 1HG ARG 116 -14.924 -17.552 -1.637 1107 1HD ARG 116 2HD ARG 116 -15.898 -16.911 0.492 1108 2HD ARG 116 1HD ARG 116 -16.278 -15.318 -0.156 1109 HE ARG 116 HE ARG 116 -17.442 -17.137 -1.861 1110 1HH1 ARG 116 1HH1 ARG 116 -17.728 -16.377 1.577 1111 2HH1 ARG 116 2HH1 ARG 116 -19.395 -16.707 1.669 1112 1HH2 ARG 116 1HH2 ARG 116 -19.734 -17.621 -1.740 1113 2HH2 ARG 116 2HH2 ARG 116 -20.561 -17.446 -0.267 1114 QB ARG 116 QB ARG 116 -13.724 -15.703 -0.294 1115 QG ARG 116 QG ARG 116 -15.134 -16.763 -1.973 1116 QD ARG 116 QD ARG 116 -16.088 -16.115 0.168 1117 QH1 ARG 116 QH1 ARG 116 -18.562 -16.542 1.623 1118 QH2 ARG 116 QH2 ARG 116 -20.147 -17.533 -1.004 1119 H SER 117 H SER 117 -13.187 -17.604 -3.746 1120 HA SER 117 HA SER 117 -12.378 -19.996 -2.522 1121 1HB SER 117 2HB SER 117 -12.733 -20.707 -5.004 1122 2HB SER 117 1HB SER 117 -14.116 -20.140 -4.057 1123 HG SER 117 HG SER 117 -13.431 -19.186 -6.301 1124 QB SER 117 QB SER 117 -13.424 -20.424 -4.531 1125 H LEU 118 H LEU 118 -10.634 -17.498 -3.963 1126 HA LEU 118 HA LEU 118 -8.550 -19.185 -5.100 1127 1HB LEU 118 2HB LEU 118 -8.788 -16.202 -5.069 1128 2HB LEU 118 1HB LEU 118 -7.745 -17.163 -6.096 1129 HG LEU 118 HG LEU 118 -10.761 -17.016 -6.238 1130 1HD1 LEU 118 2HD1 LEU 118 -9.656 -15.015 -7.040 1131 2HD1 LEU 118 1HD1 LEU 118 -8.637 -15.983 -8.099 1132 3HD1 LEU 118 3HD1 LEU 118 -10.376 -15.911 -8.379 1133 1HD2 LEU 118 3HD2 LEU 118 -8.810 -18.542 -7.984 1134 2HD2 LEU 118 2HD2 LEU 118 -9.989 -19.245 -6.873 1135 3HD2 LEU 118 1HD2 LEU 118 -10.539 -18.363 -8.292 1136 MD1 LEU 118 QD1 LEU 118 -9.556 -15.636 -7.839 1137 MD2 LEU 118 QD2 LEU 118 -9.779 -18.717 -7.716 1138 QB LEU 118 QB LEU 118 -8.267 -16.682 -5.583 1139 QD LEU 118 QQD LEU 118 -9.668 -17.177 -7.778 1140 H GLY 119 H GLY 119 -9.162 -18.274 -2.042 1141 1HA GLY 119 1HA GLY 119 -6.739 -16.914 -1.326 1142 2HA GLY 119 2HA GLY 119 -6.579 -18.646 -1.092 1143 QA GLY 119 QA GLY 119 -6.659 -17.780 -1.209 1144 H LEU 120 H LEU 120 -9.273 -16.431 -0.484 1145 HA LEU 120 HA LEU 120 -9.018 -16.282 2.306 1146 1HB LEU 120 2HB LEU 120 -10.488 -14.810 0.836 1147 2HB LEU 120 1HB LEU 120 -11.554 -16.212 0.758 1148 HG LEU 120 HG LEU 120 -11.941 -16.094 3.170 1149 1HD1 LEU 120 3HD1 LEU 120 -10.292 -13.585 3.058 1150 2HD1 LEU 120 2HD1 LEU 120 -11.266 -14.106 4.433 1151 3HD1 LEU 120 1HD1 LEU 120 -9.888 -15.077 3.906 1152 1HD2 LEU 120 2HD2 LEU 120 -12.521 -13.528 1.694 1153 2HD2 LEU 120 1HD2 LEU 120 -13.512 -14.984 1.677 1154 3HD2 LEU 120 3HD2 LEU 120 -13.326 -14.060 3.166 1155 MD1 LEU 120 QD1 LEU 120 -10.482 -14.256 3.799 1156 MD2 LEU 120 QD2 LEU 120 -13.120 -14.191 2.179 1157 QB LEU 120 QB LEU 120 -11.021 -15.511 0.797 1158 QD LEU 120 QQD LEU 120 -11.801 -14.223 2.989 1159 H ALA 121 H ALA 121 -11.334 -18.169 0.409 1160 HA ALA 121 HA ALA 121 -11.697 -19.782 2.735 1161 1HB ALA 121 3HB ALA 121 -13.513 -19.533 0.336 1162 2HB ALA 121 2HB ALA 121 -13.836 -20.526 1.757 1163 3HB ALA 121 1HB ALA 121 -13.756 -18.773 1.907 1164 MB ALA 121 QB ALA 121 -13.702 -19.611 1.334 1165 H GLU 122 H GLU 122 -9.757 -20.876 2.267 1166 HA GLU 122 HA GLU 122 -9.278 -22.277 -0.157 1167 1HB GLU 122 2HB GLU 122 -7.427 -21.556 1.224 1168 2HB GLU 122 1HB GLU 122 -8.013 -22.502 2.577 1169 1HG GLU 122 2HG GLU 122 -6.071 -23.511 1.484 1170 2HG GLU 122 1HG GLU 122 -7.487 -24.553 1.426 1171 QB GLU 122 QB GLU 122 -7.720 -22.029 1.901 1172 QG GLU 122 QG GLU 122 -6.779 -24.032 1.455 1173 H SER 123 H SER 123 -10.300 -23.416 3.070 1174 HA SER 123 HA SER 123 -11.674 -25.621 1.789 1175 1HB SER 123 2HB SER 123 -9.630 -26.023 3.998 1176 2HB SER 123 1HB SER 123 -10.651 -27.274 3.291 1177 HG SER 123 HG SER 123 -9.256 -25.854 1.436 1178 QB SER 123 QB SER 123 -10.140 -26.649 3.645 1179 H ARG 124 H ARG 124 -12.913 -26.842 3.480 1180 HA ARG 124 HA ARG 124 -14.274 -24.763 5.005 1181 1HB ARG 124 2HB ARG 124 -15.270 -27.512 4.271 1182 2HB ARG 124 1HB ARG 124 -16.204 -26.214 4.985 1183 1HG ARG 124 2HG ARG 124 -15.116 -26.408 2.184 1184 2HG ARG 124 1HG ARG 124 -16.799 -26.297 2.698 1185 1HD ARG 124 2HD ARG 124 -14.676 -24.183 2.857 1186 2HD ARG 124 1HD ARG 124 -16.081 -24.174 1.796 1187 HE ARG 124 HE ARG 124 -16.799 -24.336 4.559 1188 1HH1 ARG 124 1HH1 ARG 124 -16.153 -22.095 1.903 1189 2HH1 ARG 124 2HH1 ARG 124 -16.753 -20.730 2.725 1190 1HH2 ARG 124 1HH2 ARG 124 -17.593 -22.452 5.702 1191 2HH2 ARG 124 2HH2 ARG 124 -17.556 -20.929 4.936 1192 QB ARG 124 QB ARG 124 -15.737 -26.863 4.628 1193 QG ARG 124 QG ARG 124 -15.957 -26.352 2.441 1194 QD ARG 124 QD ARG 124 -15.378 -24.179 2.327 1195 QH1 ARG 124 QH1 ARG 124 -16.453 -21.412 2.314 1196 QH2 ARG 124 QH2 ARG 124 -17.574 -21.691 5.319 1197 H GLN 125 H GLN 125 -13.275 -28.162 5.289 1198 HA GLN 125 HA GLN 125 -12.572 -27.880 8.024 1199 1HB GLN 125 2HB GLN 125 -15.056 -27.925 8.206 1200 2HB GLN 125 1HB GLN 125 -15.089 -29.429 7.312 1201 1HG GLN 125 2HG GLN 125 -13.505 -29.424 9.803 1202 2HG GLN 125 1HG GLN 125 -15.249 -29.259 9.976 1203 1HE2 GLN 125 1HE2 GLN 125 -15.465 -31.224 10.964 1204 2HE2 GLN 125 2HE2 GLN 125 -15.305 -32.718 10.126 1205 QB GLN 125 QB GLN 125 -15.072 -28.677 7.759 1206 QG GLN 125 QG GLN 125 -14.377 -29.342 9.889 1207 QE GLN 125 QE2 GLN 125 -15.385 -31.971 10.545 No H/Q in entry = 1207 Start of MODEL 2 1 H1 LEU 5 3HT LEU 5 -5.124 32.161 -27.486 2 H2 LEU 5 2HT LEU 5 -6.683 32.291 -26.846 3 H3 LEU 5 1HT LEU 5 -5.384 33.057 -26.102 4 HA LEU 5 HA LEU 5 -5.903 31.133 -24.839 5 1HB LEU 5 2HB LEU 5 -6.931 29.835 -26.671 6 2HB LEU 5 1HB LEU 5 -5.354 29.662 -27.419 7 HG LEU 5 HG LEU 5 -4.605 28.348 -25.446 8 1HD1 LEU 5 1HD1 LEU 5 -6.172 29.206 -23.807 9 2HD1 LEU 5 3HD1 LEU 5 -7.505 28.419 -24.655 10 3HD1 LEU 5 2HD1 LEU 5 -6.240 27.448 -23.908 11 1HD2 LEU 5 2HD2 LEU 5 -5.362 27.222 -27.472 12 2HD2 LEU 5 1HD2 LEU 5 -5.806 26.308 -26.031 13 3HD2 LEU 5 3HD2 LEU 5 -7.023 27.260 -26.880 14 MD1 LEU 5 QD1 LEU 5 -6.639 28.358 -24.123 15 MD2 LEU 5 QD2 LEU 5 -6.064 26.930 -26.794 16 QB LEU 5 QB LEU 5 -6.143 29.749 -27.045 17 QD LEU 5 QQD LEU 5 -6.351 27.644 -25.459 18 H GLU 6 H GLU 6 -4.237 30.248 -23.689 19 HA GLU 6 HA GLU 6 -1.556 30.677 -24.695 20 1HB GLU 6 2HB GLU 6 -2.165 31.894 -22.584 21 2HB GLU 6 1HB GLU 6 -2.593 30.297 -21.967 22 1HG GLU 6 2HG GLU 6 -0.515 31.287 -21.143 23 2HG GLU 6 1HG GLU 6 -0.342 29.652 -21.807 24 QB GLU 6 QB GLU 6 -2.379 31.096 -22.275 25 QG GLU 6 QG GLU 6 -0.429 30.469 -21.475 26 H ALA 7 H ALA 7 -0.096 29.028 -24.326 27 HA ALA 7 HA ALA 7 -1.145 26.374 -24.803 28 1HB ALA 7 2HB ALA 7 0.928 27.207 -25.867 29 2HB ALA 7 1HB ALA 7 1.723 27.177 -24.290 30 3HB ALA 7 3HB ALA 7 1.140 25.677 -25.021 31 MB ALA 7 QB ALA 7 1.264 26.687 -25.059 32 H ASP 8 H ASP 8 -0.826 24.533 -23.567 33 HA ASP 8 HA ASP 8 -1.426 25.074 -20.791 34 1HB ASP 8 2HB ASP 8 -2.717 23.396 -22.045 35 2HB ASP 8 1HB ASP 8 -1.256 22.437 -22.260 36 QB ASP 8 QB ASP 8 -1.987 22.917 -22.152 37 H VAL 9 H VAL 9 -0.200 24.624 -19.010 38 HA VAL 9 HA VAL 9 2.479 24.507 -19.382 39 HB VAL 9 HB VAL 9 2.680 24.592 -16.895 40 1HG1 VAL 9 3HG1 VAL 9 0.747 26.517 -18.188 41 2HG1 VAL 9 2HG1 VAL 9 1.630 26.808 -16.693 42 3HG1 VAL 9 1HG1 VAL 9 2.509 26.630 -18.214 43 1HG2 VAL 9 2HG2 VAL 9 -0.284 24.446 -17.136 44 2HG2 VAL 9 1HG2 VAL 9 0.764 23.266 -16.360 45 3HG2 VAL 9 3HG2 VAL 9 0.559 24.878 -15.635 46 MG1 VAL 9 QG1 VAL 9 1.629 26.652 -17.699 47 MG2 VAL 9 QG2 VAL 9 0.346 24.197 -16.377 48 QG VAL 9 QQG VAL 9 0.988 25.424 -17.038 49 H THR 10 H THR 10 0.524 21.999 -19.603 50 HA THR 10 HA THR 10 0.592 19.815 -19.611 51 HB THR 10 HB THR 10 2.534 18.546 -19.477 52 HG1 THR 10 1HG THR 10 3.642 20.853 -18.293 53 1HG2 THR 10 2HG2 THR 10 2.230 19.753 -21.523 54 2HG2 THR 10 1HG2 THR 10 3.120 21.135 -20.893 55 3HG2 THR 10 3HG2 THR 10 3.957 19.609 -21.198 56 MG THR 10 QG2 THR 10 3.102 20.166 -21.204 57 H MET 11 H MET 11 1.633 17.835 -17.924 58 HA MET 11 HA MET 11 -0.202 18.265 -15.762 59 1HB MET 11 2HB MET 11 1.482 15.897 -16.552 60 2HB MET 11 1HB MET 11 0.343 15.913 -15.222 61 1HG MET 11 2HG MET 11 -0.660 14.792 -17.048 62 2HG MET 11 1HG MET 11 -1.422 16.375 -16.909 63 1HE MET 11 2HE MET 11 -2.431 15.834 -19.360 64 2HE MET 11 1HE MET 11 -1.427 15.512 -20.773 65 3HE MET 11 3HE MET 11 -1.504 14.339 -19.461 66 QB MET 11 QB MET 11 0.913 15.905 -15.887 67 QG MET 11 QG MET 11 -1.041 15.583 -16.978 68 ME MET 11 QE MET 11 -1.787 15.228 -19.865 69 H THR 12 H THR 12 2.594 19.529 -15.955 70 HA THR 12 HA THR 12 4.481 18.399 -14.279 71 HB THR 12 HB THR 12 5.249 20.616 -13.887 72 HG1 THR 12 1HG THR 12 3.959 21.865 -15.957 73 1HG2 THR 12 1HG2 THR 12 6.172 19.270 -15.650 74 2HG2 THR 12 3HG2 THR 12 4.868 19.735 -16.743 75 3HG2 THR 12 2HG2 THR 12 6.061 20.930 -16.237 76 MG THR 12 QG2 THR 12 5.700 19.978 -16.210 77 H GLY 13 H GLY 13 4.863 18.145 -12.301 78 1HA GLY 13 1HA GLY 13 3.492 17.955 -10.161 79 2HA GLY 13 2HA GLY 13 3.477 19.721 -10.274 80 QA GLY 13 QA GLY 13 3.484 18.838 -10.218 81 H SER 14 H SER 14 4.847 20.102 -8.497 82 HA SER 14 HA SER 14 7.588 19.715 -9.263 83 1HB SER 14 2HB SER 14 6.413 21.449 -7.110 84 2HB SER 14 1HB SER 14 8.088 21.463 -7.673 85 HG SER 14 HG SER 14 6.889 21.733 -9.841 86 QB SER 14 QB SER 14 7.250 21.456 -7.391 87 H ASP 15 H ASP 15 5.791 19.275 -6.096 88 HA ASP 15 HA ASP 15 8.070 17.742 -5.361 89 1HB ASP 15 2HB ASP 15 7.366 18.436 -3.102 90 2HB ASP 15 1HB ASP 15 8.276 19.656 -3.978 91 QB ASP 15 QB ASP 15 7.821 19.046 -3.540 92 H LEU 16 H LEU 16 6.372 16.424 -6.558 93 HA LEU 16 HA LEU 16 5.276 14.801 -4.420 94 1HB LEU 16 2HB LEU 16 4.388 14.865 -7.268 95 2HB LEU 16 1HB LEU 16 3.692 13.890 -5.983 96 HG LEU 16 HG LEU 16 2.160 15.491 -6.344 97 1HD1 LEU 16 3HD1 LEU 16 2.495 15.386 -4.021 98 2HD1 LEU 16 2HD1 LEU 16 3.728 16.646 -4.092 99 3HD1 LEU 16 1HD1 LEU 16 2.052 17.031 -4.472 100 1HD2 LEU 16 3HD2 LEU 16 4.330 17.503 -6.736 101 2HD2 LEU 16 2HD2 LEU 16 3.168 16.802 -7.882 102 3HD2 LEU 16 1HD2 LEU 16 2.594 17.907 -6.634 103 MD1 LEU 16 QD1 LEU 16 2.758 16.354 -4.195 104 MD2 LEU 16 QD2 LEU 16 3.364 17.404 -7.084 105 QB LEU 16 QB LEU 16 4.040 14.378 -6.626 106 QD LEU 16 QQD LEU 16 3.061 16.879 -5.639 107 H VAL 17 H VAL 17 5.409 12.649 -4.650 108 HA VAL 17 HA VAL 17 7.442 11.778 -6.308 109 HB VAL 17 HB VAL 17 7.646 11.962 -3.320 110 1HG1 VAL 17 2HG1 VAL 17 8.947 10.070 -5.103 111 2HG1 VAL 17 1HG1 VAL 17 9.649 10.495 -3.485 112 3HG1 VAL 17 3HG1 VAL 17 8.016 9.775 -3.595 113 1HG2 VAL 17 2HG2 VAL 17 8.740 13.718 -4.672 114 2HG2 VAL 17 1HG2 VAL 17 9.907 12.772 -3.744 115 3HG2 VAL 17 3HG2 VAL 17 9.706 12.481 -5.464 116 MG1 VAL 17 QG1 VAL 17 8.871 10.113 -4.061 117 MG2 VAL 17 QG2 VAL 17 9.451 12.990 -4.627 118 QG VAL 17 QQG VAL 17 9.161 11.552 -4.344 119 H SER 18 H SER 18 7.374 9.417 -6.304 120 HA SER 18 HA SER 18 5.152 8.116 -4.929 121 1HB SER 18 2HB SER 18 5.857 7.814 -7.841 122 2HB SER 18 1HB SER 18 4.925 6.599 -6.964 123 HG SER 18 HG SER 18 3.641 8.524 -6.334 124 QB SER 18 QB SER 18 5.391 7.207 -7.402 125 H CYS 19 H CYS 19 6.068 6.772 -3.581 126 HA CYS 19 HA CYS 19 8.358 5.204 -4.432 127 1HB CYS 19 2HB CYS 19 6.874 5.380 -1.792 128 2HB CYS 19 1HB CYS 19 8.225 4.299 -2.095 129 HG CYS 19 HG CYS 19 9.471 6.106 -0.734 130 QB CYS 19 QB CYS 19 7.549 4.839 -1.944 131 H CYS 20 H CYS 20 8.054 3.201 -5.234 132 HA CYS 20 HA CYS 20 5.273 2.230 -5.217 133 1HB CYS 20 2HB CYS 20 7.365 1.897 -7.374 134 2HB CYS 20 1HB CYS 20 5.686 1.375 -7.456 135 HG CYS 20 HG CYS 20 7.011 4.427 -7.938 136 QB CYS 20 QB CYS 20 6.526 1.636 -7.415 137 H TYR 21 H TYR 21 5.275 0.420 -3.863 138 HA TYR 21 HA TYR 21 7.856 -0.948 -3.768 139 1HB TYR 21 2HB TYR 21 7.776 -1.125 -1.462 140 2HB TYR 21 1HB TYR 21 7.405 0.561 -1.880 141 HD1 TYR 21 1HD TYR 21 5.809 -2.642 -0.764 142 HD2 TYR 21 2HD TYR 21 5.817 1.608 -0.770 143 HE1 TYR 21 1HE TYR 21 4.082 -2.626 0.975 144 HE2 TYR 21 2HE TYR 21 4.129 1.621 0.958 145 HH TYR 21 HH TYR 21 2.367 0.084 1.843 146 QB TYR 21 QB TYR 21 7.590 -0.282 -1.671 147 QD TYR 21 QD TYR 21 5.813 -0.517 -0.767 148 QE TYR 21 QE TYR 21 4.106 -0.503 0.966 149 QR TYR 21 QR TYR 21 4.959 -0.510 0.100 150 H ARG 22 H ARG 22 7.687 -3.012 -2.691 151 HA ARG 22 HA ARG 22 5.150 -4.381 -3.268 152 1HB ARG 22 2HB ARG 22 6.325 -6.312 -3.914 153 2HB ARG 22 1HB ARG 22 7.088 -4.975 -4.760 154 1HG ARG 22 2HG ARG 22 8.920 -4.953 -3.226 155 2HG ARG 22 1HG ARG 22 8.132 -6.164 -2.208 156 1HD ARG 22 2HD ARG 22 8.127 -7.637 -4.189 157 2HD ARG 22 1HD ARG 22 9.193 -6.433 -4.953 158 HE ARG 22 HE ARG 22 10.012 -7.427 -2.354 159 1HH1 ARG 22 1HH1 ARG 22 10.434 -7.694 -5.873 160 2HH1 ARG 22 2HH1 ARG 22 11.929 -8.490 -5.781 161 1HH2 ARG 22 1HH2 ARG 22 12.040 -8.532 -2.234 162 2HH2 ARG 22 2HH2 ARG 22 12.836 -9.066 -3.644 163 QB ARG 22 QB ARG 22 6.707 -5.643 -4.337 164 QG ARG 22 QG ARG 22 8.526 -5.559 -2.717 165 QD ARG 22 QD ARG 22 8.660 -7.035 -4.571 166 QH1 ARG 22 QH1 ARG 22 11.181 -8.092 -5.827 167 QH2 ARG 22 QH2 ARG 22 12.438 -8.799 -2.939 168 H SER 23 H SER 23 4.772 -6.159 -1.900 169 HA SER 23 HA SER 23 6.582 -6.658 0.216 170 1HB SER 23 2HB SER 23 3.754 -5.756 0.815 171 2HB SER 23 1HB SER 23 4.785 -6.582 1.984 172 HG SER 23 HG SER 23 5.823 -4.388 0.687 173 QB SER 23 QB SER 23 4.270 -6.169 1.399 174 H LEU 24 H LEU 24 6.087 -8.654 1.158 175 HA LEU 24 HA LEU 24 4.247 -10.244 -0.525 176 1HB LEU 24 2HB LEU 24 6.644 -11.158 1.079 177 2HB LEU 24 1HB LEU 24 5.488 -12.272 0.392 178 HG LEU 24 HG LEU 24 7.425 -12.223 -1.004 179 1HD1 LEU 24 1HD1 LEU 24 5.326 -12.468 -2.141 180 2HD1 LEU 24 3HD1 LEU 24 5.208 -10.721 -2.349 181 3HD1 LEU 24 2HD1 LEU 24 6.493 -11.626 -3.153 182 1HD2 LEU 24 1HD2 LEU 24 8.347 -10.033 -0.409 183 2HD2 LEU 24 3HD2 LEU 24 8.210 -10.212 -2.164 184 3HD2 LEU 24 2HD2 LEU 24 7.022 -9.250 -1.286 185 MD1 LEU 24 QD1 LEU 24 5.676 -11.605 -2.548 186 MD2 LEU 24 QD2 LEU 24 7.860 -9.832 -1.286 187 QB LEU 24 QB LEU 24 6.066 -11.715 0.735 188 QD LEU 24 QQD LEU 24 6.768 -10.718 -1.917 189 H ALA 25 H ALA 25 2.756 -8.989 0.998 190 HA ALA 25 HA ALA 25 2.087 -8.696 3.391 191 1HB ALA 25 2HB ALA 25 0.374 -8.689 1.656 192 2HB ALA 25 1HB ALA 25 0.191 -10.439 1.847 193 3HB ALA 25 3HB ALA 25 -0.199 -9.353 3.180 194 MB ALA 25 QB ALA 25 0.122 -9.494 2.228 195 H ALA 26 H ALA 26 2.523 -9.454 5.358 196 HA ALA 26 HA ALA 26 3.600 -11.882 5.651 197 1HB ALA 26 2HB ALA 26 4.177 -9.997 6.983 198 2HB ALA 26 1HB ALA 26 2.537 -9.890 7.615 199 3HB ALA 26 3HB ALA 26 3.554 -11.267 8.048 200 MB ALA 26 QB ALA 26 3.423 -10.385 7.549 201 HA PRO 27 HA PRO 27 -0.334 -14.230 6.228 202 1HB PRO 27 2HB PRO 27 0.898 -16.495 7.109 203 2HB PRO 27 1HB PRO 27 0.881 -16.032 5.399 204 1HG PRO 27 2HG PRO 27 2.959 -15.251 7.447 205 2HG PRO 27 1HG PRO 27 3.259 -16.229 5.954 206 1HD PRO 27 2HD PRO 27 3.761 -13.754 6.028 207 2HD PRO 27 1HD PRO 27 2.706 -14.280 4.691 208 QB PRO 27 QB PRO 27 0.889 -16.264 6.254 209 QG PRO 27 QG PRO 27 3.109 -15.740 6.700 210 QD PRO 27 QD PRO 27 3.233 -14.017 5.360 211 H ASP 28 H ASP 28 1.685 -13.008 8.356 212 HA ASP 28 HA ASP 28 0.916 -14.253 10.875 213 1HB ASP 28 2HB ASP 28 3.200 -13.399 10.469 214 2HB ASP 28 1HB ASP 28 2.556 -11.782 10.279 215 QB ASP 28 QB ASP 28 2.878 -12.591 10.374 216 H LEU 29 H LEU 29 -0.225 -11.803 8.846 217 HA LEU 29 HA LEU 29 -1.344 -10.040 10.840 218 1HB LEU 29 2HB LEU 29 -1.800 -10.131 7.868 219 2HB LEU 29 1HB LEU 29 -2.144 -8.788 8.940 220 HG LEU 29 HG LEU 29 0.586 -9.853 8.266 221 1HD1 LEU 29 3HD1 LEU 29 -0.563 -8.748 6.384 222 2HD1 LEU 29 2HD1 LEU 29 -0.731 -7.297 7.380 223 3HD1 LEU 29 1HD1 LEU 29 0.874 -7.884 6.928 224 1HD2 LEU 29 1HD2 LEU 29 0.514 -8.874 10.490 225 2HD2 LEU 29 3HD2 LEU 29 1.426 -7.847 9.388 226 3HD2 LEU 29 2HD2 LEU 29 -0.225 -7.407 9.844 227 MD1 LEU 29 QD1 LEU 29 -0.140 -7.977 6.897 228 MD2 LEU 29 QD2 LEU 29 0.572 -8.043 9.908 229 QB LEU 29 QB LEU 29 -1.972 -9.460 8.404 230 QD LEU 29 QQD LEU 29 0.216 -8.010 8.402 231 H THR 30 H THR 30 -3.672 -9.502 10.728 232 HA THR 30 HA THR 30 -5.399 -11.838 10.262 233 HB THR 30 HB THR 30 -7.061 -10.478 11.439 234 HG1 THR 30 1HG THR 30 -4.996 -8.907 12.503 235 1HG2 THR 30 2HG2 THR 30 -4.581 -11.062 12.983 236 2HG2 THR 30 1HG2 THR 30 -6.234 -10.767 13.609 237 3HG2 THR 30 3HG2 THR 30 -5.924 -12.186 12.600 238 MG THR 30 QG2 THR 30 -5.579 -11.338 13.064 239 H LEU 31 H LEU 31 -7.625 -11.121 9.596 240 HA LEU 31 HA LEU 31 -7.688 -9.513 7.202 241 1HB LEU 31 2HB LEU 31 -9.234 -11.361 7.918 242 2HB LEU 31 1HB LEU 31 -9.703 -10.154 9.142 243 HG LEU 31 HG LEU 31 -10.555 -8.669 7.412 244 1HD1 LEU 31 2HD1 LEU 31 -9.158 -9.345 5.564 245 2HD1 LEU 31 1HD1 LEU 31 -9.978 -10.907 5.480 246 3HD1 LEU 31 3HD1 LEU 31 -10.863 -9.414 5.137 247 1HD2 LEU 31 1HD2 LEU 31 -12.054 -10.194 8.528 248 2HD2 LEU 31 3HD2 LEU 31 -12.568 -9.923 6.861 249 3HD2 LEU 31 2HD2 LEU 31 -11.753 -11.433 7.310 250 MD1 LEU 31 QD1 LEU 31 -10.000 -9.889 5.393 251 MD2 LEU 31 QD2 LEU 31 -12.125 -10.517 7.566 252 QB LEU 31 QB LEU 31 -9.469 -10.757 8.530 253 QD LEU 31 QQD LEU 31 -11.062 -10.203 6.480 254 H ARG 32 H ARG 32 -8.366 -8.933 10.686 255 HA ARG 32 HA ARG 32 -9.529 -6.468 9.863 256 1HB ARG 32 2HB ARG 32 -10.312 -7.482 12.002 257 2HB ARG 32 1HB ARG 32 -8.721 -7.190 12.697 258 1HG ARG 32 2HG ARG 32 -10.299 -5.458 13.423 259 2HG ARG 32 1HG ARG 32 -9.030 -4.761 12.416 260 1HD ARG 32 2HD ARG 32 -10.667 -5.043 10.455 261 2HD ARG 32 1HD ARG 32 -11.901 -5.340 11.667 262 HE ARG 32 HE ARG 32 -10.366 -2.847 11.365 263 1HH1 ARG 32 1HH1 ARG 32 -13.223 -4.470 12.591 264 2HH1 ARG 32 2HH1 ARG 32 -14.226 -3.099 12.590 265 1HH2 ARG 32 1HH2 ARG 32 -11.746 -0.899 11.261 266 2HH2 ARG 32 2HH2 ARG 32 -13.355 -1.021 11.800 267 QB ARG 32 QB ARG 32 -9.517 -7.336 12.349 268 QG ARG 32 QG ARG 32 -9.664 -5.109 12.920 269 QD ARG 32 QD ARG 32 -11.284 -5.192 11.061 270 QH1 ARG 32 QH1 ARG 32 -13.725 -3.785 12.590 271 QH2 ARG 32 QH2 ARG 32 -12.551 -0.960 11.531 272 H ASP 33 H ASP 33 -6.437 -7.593 10.558 273 HA ASP 33 HA ASP 33 -5.052 -5.202 10.950 274 1HB ASP 33 2HB ASP 33 -4.243 -7.622 11.022 275 2HB ASP 33 1HB ASP 33 -4.093 -7.509 9.278 276 QB ASP 33 QB ASP 33 -4.168 -7.565 10.150 277 H LEU 34 H LEU 34 -6.155 -6.832 7.920 278 HA LEU 34 HA LEU 34 -4.889 -4.724 6.291 279 1HB LEU 34 2HB LEU 34 -6.909 -6.814 5.437 280 2HB LEU 34 1HB LEU 34 -6.243 -5.621 4.360 281 HG LEU 34 HG LEU 34 -5.187 -7.701 3.921 282 1HD1 LEU 34 2HD1 LEU 34 -3.676 -5.809 3.796 283 2HD1 LEU 34 1HD1 LEU 34 -3.275 -6.007 5.504 284 3HD1 LEU 34 3HD1 LEU 34 -2.835 -7.256 4.355 285 1HD2 LEU 34 1HD2 LEU 34 -5.763 -8.671 6.050 286 2HD2 LEU 34 3HD2 LEU 34 -4.083 -9.022 5.571 287 3HD2 LEU 34 2HD2 LEU 34 -4.422 -7.758 6.778 288 MD1 LEU 34 QD1 LEU 34 -3.262 -6.357 4.552 289 MD2 LEU 34 QD2 LEU 34 -4.756 -8.484 6.133 290 QB LEU 34 QB LEU 34 -6.576 -6.218 4.899 291 QD LEU 34 QQD LEU 34 -4.009 -7.420 5.342 292 H LEU 35 H LEU 35 -8.009 -5.507 7.434 293 HA LEU 35 HA LEU 35 -9.294 -3.395 6.055 294 1HB LEU 35 2HB LEU 35 -10.170 -5.219 8.274 295 2HB LEU 35 1HB LEU 35 -11.193 -3.892 7.754 296 HG LEU 35 HG LEU 35 -11.756 -6.165 6.725 297 1HD1 LEU 35 2HD1 LEU 35 -12.496 -4.056 5.730 298 2HD1 LEU 35 1HD1 LEU 35 -10.992 -3.954 4.823 299 3HD1 LEU 35 3HD1 LEU 35 -12.128 -5.263 4.495 300 1HD2 LEU 35 2HD2 LEU 35 -9.380 -6.881 6.375 301 2HD2 LEU 35 1HD2 LEU 35 -10.327 -6.972 4.869 302 3HD2 LEU 35 3HD2 LEU 35 -9.210 -5.642 5.192 303 MD1 LEU 35 QD1 LEU 35 -11.872 -4.424 5.016 304 MD2 LEU 35 QD2 LEU 35 -9.639 -6.498 5.479 305 QB LEU 35 QB LEU 35 -10.682 -4.555 8.014 306 QD LEU 35 QQD LEU 35 -10.755 -5.461 5.247 307 H ASP 36 H ASP 36 -7.571 -3.545 8.858 308 HA ASP 36 HA ASP 36 -8.373 -0.939 9.896 309 1HB ASP 36 2HB ASP 36 -7.537 -2.602 11.453 310 2HB ASP 36 1HB ASP 36 -5.996 -2.671 10.605 311 QB ASP 36 QB ASP 36 -6.767 -2.637 11.029 312 H ILE 37 H ILE 37 -5.619 -2.300 8.166 313 HA ILE 37 HA ILE 37 -3.986 -0.130 7.838 314 HB ILE 37 HB ILE 37 -4.558 -2.481 6.038 315 1HG1 ILE 37 2HG1 ILE 37 -1.935 -1.766 7.259 316 2HG1 ILE 37 1HG1 ILE 37 -3.137 -2.525 8.269 317 1HG2 ILE 37 2HG2 ILE 37 -2.527 -0.329 5.447 318 2HG2 ILE 37 1HG2 ILE 37 -2.631 -1.882 4.620 319 3HG2 ILE 37 3HG2 ILE 37 -3.954 -0.721 4.483 320 1HD1 ILE 37 1HD1 ILE 37 -2.099 -3.647 5.673 321 2HD1 ILE 37 3HD1 ILE 37 -1.482 -4.087 7.259 322 3HD1 ILE 37 2HD1 ILE 37 -3.132 -4.488 6.852 323 MG ILE 37 QG2 ILE 37 -3.037 -0.977 4.850 324 MD ILE 37 QD1 ILE 37 -2.238 -4.074 6.595 325 QG ILE 37 QG1 ILE 37 -2.536 -2.145 7.764 326 H VAL 38 H VAL 38 -6.604 -1.179 5.712 327 HA VAL 38 HA VAL 38 -6.454 0.922 3.886 328 HB VAL 38 HB VAL 38 -7.822 -1.038 3.350 329 1HG1 VAL 38 1HG1 VAL 38 -8.731 -1.499 5.540 330 2HG1 VAL 38 3HG1 VAL 38 -9.775 -0.086 5.417 331 3HG1 VAL 38 2HG1 VAL 38 -10.000 -1.448 4.316 332 1HG2 VAL 38 2HG2 VAL 38 -9.479 1.473 3.388 333 2HG2 VAL 38 1HG2 VAL 38 -8.392 0.953 2.105 334 3HG2 VAL 38 3HG2 VAL 38 -9.857 0.029 2.448 335 MG1 VAL 38 QG1 VAL 38 -9.502 -1.011 5.091 336 MG2 VAL 38 QG2 VAL 38 -9.243 0.818 2.647 337 QG VAL 38 QQG VAL 38 -9.372 -0.096 3.869 338 H GLU 39 H GLU 39 -8.276 0.828 6.918 339 HA GLU 39 HA GLU 39 -9.644 3.262 6.631 340 1HB GLU 39 2HB GLU 39 -8.703 1.953 9.184 341 2HB GLU 39 1HB GLU 39 -9.911 3.217 9.070 342 1HG GLU 39 2HG GLU 39 -11.308 1.656 7.743 343 2HG GLU 39 1HG GLU 39 -10.111 0.397 8.064 344 QB GLU 39 QB GLU 39 -9.307 2.585 9.127 345 QG GLU 39 QG GLU 39 -10.709 1.027 7.903 346 H THR 40 H THR 40 -6.639 2.521 8.393 347 HA THR 40 HA THR 40 -6.258 5.214 9.136 348 HB THR 40 HB THR 40 -5.360 3.279 10.444 349 HG1 THR 40 1HG THR 40 -4.378 4.962 11.126 350 1HG2 THR 40 3HG2 THR 40 -3.270 3.127 8.266 351 2HG2 THR 40 2HG2 THR 40 -3.219 2.252 9.794 352 3HG2 THR 40 1HG2 THR 40 -4.485 1.900 8.618 353 MG THR 40 QG2 THR 40 -3.658 2.426 8.893 354 H SER 41 H SER 41 -5.088 3.341 6.378 355 HA SER 41 HA SER 41 -3.076 5.117 5.557 356 1HB SER 41 2HB SER 41 -3.335 2.731 4.790 357 2HB SER 41 1HB SER 41 -4.693 3.251 3.798 358 HG SER 41 HG SER 41 -3.250 3.756 2.347 359 QB SER 41 QB SER 41 -4.014 2.991 4.294 360 H GLN 42 H GLN 42 -6.484 4.816 4.530 361 HA GLN 42 HA GLN 42 -6.541 6.854 2.583 362 1HB GLN 42 2HB GLN 42 -8.660 5.850 4.437 363 2HB GLN 42 1HB GLN 42 -8.974 6.990 3.138 364 1HG GLN 42 2HG GLN 42 -8.455 5.449 1.501 365 2HG GLN 42 1HG GLN 42 -7.657 4.375 2.653 366 1HE2 GLN 42 1HE2 GLN 42 -9.857 4.666 4.618 367 2HE2 GLN 42 2HE2 GLN 42 -11.079 3.665 3.884 368 QB GLN 42 QB GLN 42 -8.817 6.420 3.787 369 QG GLN 42 QG GLN 42 -8.056 4.912 2.077 370 QE GLN 42 QE2 GLN 42 -10.468 4.165 4.251 371 H ALA 43 H ALA 43 -7.213 6.903 5.989 372 HA ALA 43 HA ALA 43 -8.145 9.542 6.099 373 1HB ALA 43 2HB ALA 43 -8.180 9.188 8.463 374 2HB ALA 43 3HB ALA 43 -7.032 7.837 8.308 375 3HB ALA 43 1HB ALA 43 -8.642 7.696 7.606 376 MB ALA 43 QB ALA 43 -7.951 8.240 8.125 377 H HIS 44 H HIS 44 -4.942 8.176 6.747 378 HA HIS 44 HA HIS 44 -3.842 10.739 7.416 379 1HB HIS 44 2HB HIS 44 -2.888 8.445 8.105 380 2HB HIS 44 1HB HIS 44 -2.352 8.355 6.423 381 HD1 HIS 44 1HD HIS 44 -1.478 9.866 9.696 382 HD2 HIS 44 2HD HIS 44 -0.161 10.141 5.765 383 HE1 HIS 44 1HE HIS 44 0.743 10.971 9.815 384 HE2 HIS 44 2HE HIS 44 1.623 10.984 7.514 385 QB HIS 44 QB HIS 44 -2.620 8.400 7.264 386 H ASN 45 H ASN 45 -4.054 8.773 4.483 387 HA ASN 45 HA ASN 45 -2.396 10.427 2.943 388 1HB ASN 45 2HB ASN 45 -4.303 8.269 2.277 389 2HB ASN 45 1HB ASN 45 -3.885 9.391 0.979 390 1HD2 ASN 45 1HD2 ASN 45 -2.737 7.809 -0.131 391 2HD2 ASN 45 2HD2 ASN 45 -1.206 7.228 0.425 392 QB ASN 45 QB ASN 45 -4.094 8.830 1.628 393 QD ASN 45 QD2 ASN 45 -1.971 7.518 0.147 394 H ALA 46 H ALA 46 -5.889 10.490 3.335 395 HA ALA 46 HA ALA 46 -6.392 12.550 1.504 396 1HB ALA 46 2HB ALA 46 -8.448 12.952 2.789 397 2HB ALA 46 3HB ALA 46 -7.803 11.984 4.116 398 3HB ALA 46 1HB ALA 46 -8.180 11.223 2.571 399 MB ALA 46 QB ALA 46 -8.144 12.053 3.159 400 H ARG 47 H ARG 47 -5.446 12.581 4.858 401 HA ARG 47 HA ARG 47 -5.552 15.377 5.231 402 1HB ARG 47 2HB ARG 47 -5.519 13.515 6.977 403 2HB ARG 47 1HB ARG 47 -3.789 13.462 6.606 404 1HG ARG 47 2HG ARG 47 -3.381 15.566 7.476 405 2HG ARG 47 1HG ARG 47 -5.099 15.979 7.532 406 1HD ARG 47 2HD ARG 47 -3.745 13.838 9.158 407 2HD ARG 47 1HD ARG 47 -4.245 15.430 9.745 408 HE ARG 47 HE ARG 47 -6.516 14.457 8.733 409 1HH1 ARG 47 1HH1 ARG 47 -4.259 13.107 11.126 410 2HH1 ARG 47 2HH1 ARG 47 -5.416 12.133 11.874 411 1HH2 ARG 47 1HH2 ARG 47 -8.129 13.092 9.803 412 2HH2 ARG 47 2HH2 ARG 47 -7.644 12.112 11.090 413 QB ARG 47 QB ARG 47 -4.654 13.488 6.792 414 QG ARG 47 QG ARG 47 -4.240 15.772 7.504 415 QD ARG 47 QD ARG 47 -3.995 14.634 9.452 416 QH1 ARG 47 QH1 ARG 47 -4.838 12.620 11.500 417 QH2 ARG 47 QH2 ARG 47 -7.887 12.602 10.447 418 H ALA 48 H ALA 48 -2.895 13.127 4.548 419 HA ALA 48 HA ALA 48 -0.986 15.178 4.516 420 1HB ALA 48 3HB ALA 48 -0.421 12.910 5.192 421 2HB ALA 48 1HB ALA 48 0.611 13.517 3.895 422 3HB ALA 48 2HB ALA 48 -0.681 12.360 3.531 423 MB ALA 48 QB ALA 48 -0.164 12.929 4.206 424 H GLN 49 H GLN 49 -3.257 14.306 2.261 425 HA GLN 49 HA GLN 49 -3.752 15.006 0.171 426 1HB GLN 49 2HB GLN 49 -1.155 16.533 0.385 427 2HB GLN 49 1HB GLN 49 -2.347 16.786 -0.916 428 1HG GLN 49 2HG GLN 49 -3.566 18.050 0.458 429 2HG GLN 49 1HG GLN 49 -3.310 16.803 1.721 430 1HE2 GLN 49 1HE2 GLN 49 -1.842 17.068 3.233 431 2HE2 GLN 49 2HE2 GLN 49 -0.739 18.369 3.406 432 QB GLN 49 QB GLN 49 -1.751 16.659 -0.266 433 QG GLN 49 QG GLN 49 -3.438 17.427 1.089 434 QE GLN 49 QE2 GLN 49 -1.291 17.719 3.320 435 H LEU 50 H LEU 50 -2.127 12.809 0.940 436 HA LEU 50 HA LEU 50 -0.512 12.042 -1.321 437 1HB LEU 50 2HB LEU 50 -1.111 11.033 1.378 438 2HB LEU 50 1HB LEU 50 -0.703 9.838 0.167 439 HG LEU 50 HG LEU 50 1.378 10.852 -0.206 440 1HD1 LEU 50 1HD1 LEU 50 0.847 13.179 0.138 441 2HD1 LEU 50 3HD1 LEU 50 0.629 12.897 1.862 442 3HD1 LEU 50 2HD1 LEU 50 2.229 12.724 1.130 443 1HD2 LEU 50 2HD2 LEU 50 1.216 9.218 1.593 444 2HD2 LEU 50 1HD2 LEU 50 2.471 10.415 1.939 445 3HD2 LEU 50 3HD2 LEU 50 0.910 10.518 2.742 446 MD1 LEU 50 QD1 LEU 50 1.235 12.933 1.044 447 MD2 LEU 50 QD2 LEU 50 1.532 10.050 2.091 448 QB LEU 50 QB LEU 50 -0.907 10.436 0.772 449 QD LEU 50 QQD LEU 50 1.384 11.492 1.567 450 H THR 51 H THR 51 -1.144 10.744 -2.918 451 HA THR 51 HA THR 51 -3.767 9.532 -2.732 452 HB THR 51 HB THR 51 -3.903 9.933 -5.192 453 HG1 THR 51 1HG THR 51 -1.977 10.313 -6.037 454 1HG2 THR 51 3HG2 THR 51 -4.739 11.420 -3.480 455 2HG2 THR 51 2HG2 THR 51 -3.193 12.309 -3.543 456 3HG2 THR 51 1HG2 THR 51 -4.267 12.304 -4.958 457 MG THR 51 QG2 THR 51 -4.067 12.011 -3.994 458 H GLY 52 H GLY 52 -3.885 7.492 -4.235 459 1HA GLY 52 1HA GLY 52 -2.316 5.737 -2.837 460 2HA GLY 52 2HA GLY 52 -1.460 6.032 -4.338 461 QA GLY 52 QA GLY 52 -1.888 5.885 -3.587 462 H ALA 53 H ALA 53 -1.880 3.711 -4.167 463 HA ALA 53 HA ALA 53 -4.363 2.558 -4.464 464 1HB ALA 53 3HB ALA 53 -4.427 3.617 -6.700 465 2HB ALA 53 1HB ALA 53 -4.335 1.858 -6.836 466 3HB ALA 53 2HB ALA 53 -2.895 2.843 -7.098 467 MB ALA 53 QB ALA 53 -3.886 2.773 -6.878 468 H LEU 54 H LEU 54 -4.106 0.216 -4.998 469 HA LEU 54 HA LEU 54 -1.414 -0.716 -4.971 470 1HB LEU 54 2HB LEU 54 -1.492 -1.919 -2.858 471 2HB LEU 54 1HB LEU 54 -1.671 -0.189 -2.650 472 HG LEU 54 HG LEU 54 -4.157 -0.612 -2.348 473 1HD1 LEU 54 3HD1 LEU 54 -3.220 -3.454 -1.993 474 2HD1 LEU 54 2HD1 LEU 54 -4.819 -2.843 -1.574 475 3HD1 LEU 54 1HD1 LEU 54 -4.293 -2.858 -3.257 476 1HD2 LEU 54 2HD2 LEU 54 -2.684 -0.049 -0.516 477 2HD2 LEU 54 1HD2 LEU 54 -3.879 -1.235 -0.006 478 3HD2 LEU 54 3HD2 LEU 54 -2.227 -1.743 -0.342 479 MD1 LEU 54 QD1 LEU 54 -4.111 -3.051 -2.275 480 MD2 LEU 54 QD2 LEU 54 -2.930 -1.009 -0.288 481 QB LEU 54 QB LEU 54 -1.582 -1.054 -2.754 482 QD LEU 54 QQD LEU 54 -3.520 -2.030 -1.281 483 H PHE 55 H PHE 55 -1.214 -2.942 -5.142 484 HA PHE 55 HA PHE 55 -3.628 -4.239 -6.189 485 1HB PHE 55 2HB PHE 55 -0.804 -4.813 -7.146 486 2HB PHE 55 1HB PHE 55 -2.306 -5.325 -7.881 487 HD1 PHE 55 1HD PHE 55 0.184 -3.868 -9.066 488 HD2 PHE 55 2HD PHE 55 -3.645 -2.501 -7.792 489 HE1 PHE 55 1HE PHE 55 0.360 -1.954 -10.597 490 HE2 PHE 55 2HE PHE 55 -3.457 -0.570 -9.312 491 HZ PHE 55 HZ PHE 55 -1.469 -0.307 -10.723 492 QB PHE 55 QB PHE 55 -1.555 -5.069 -7.514 493 QD PHE 55 QD PHE 55 -1.730 -3.184 -8.429 494 QE PHE 55 QE PHE 55 -1.548 -1.262 -9.954 495 QR PHE 55 QR PHE 55 -1.605 -1.840 -9.498 496 H TYR 56 H TYR 56 -4.111 -5.760 -4.765 497 HA TYR 56 HA TYR 56 -1.933 -7.256 -3.492 498 1HB TYR 56 2HB TYR 56 -3.059 -5.761 -1.836 499 2HB TYR 56 1HB TYR 56 -4.608 -6.455 -2.223 500 HD1 TYR 56 1HD TYR 56 -4.092 -9.396 -2.072 501 HD2 TYR 56 2HD TYR 56 -2.607 -6.254 0.366 502 HE1 TYR 56 1HE TYR 56 -3.801 -10.984 -0.223 503 HE2 TYR 56 2HE TYR 56 -2.299 -7.843 2.222 504 HH TYR 56 HH TYR 56 -3.206 -10.031 2.960 505 QB TYR 56 QB TYR 56 -3.833 -6.108 -2.030 506 QD TYR 56 QD TYR 56 -3.350 -7.825 -0.853 507 QE TYR 56 QE TYR 56 -3.050 -9.413 0.999 508 QR TYR 56 QR TYR 56 -3.200 -8.619 0.073 509 H SER 57 H SER 57 -2.149 -9.432 -4.237 510 HA SER 57 HA SER 57 -4.700 -10.651 -4.317 511 1HB SER 57 2HB SER 57 -3.109 -10.261 -6.888 512 2HB SER 57 1HB SER 57 -4.474 -11.363 -6.712 513 HG SER 57 HG SER 57 -4.934 -8.779 -5.893 514 QB SER 57 QB SER 57 -3.791 -10.812 -6.800 515 H GLN 58 H GLN 58 -4.424 -12.849 -4.108 516 HA GLN 58 HA GLN 58 -3.461 -14.840 -3.807 517 1HB GLN 58 2HB GLN 58 -1.366 -13.586 -5.503 518 2HB GLN 58 1HB GLN 58 -1.196 -15.225 -4.938 519 1HG GLN 58 2HG GLN 58 -3.460 -14.136 -6.629 520 2HG GLN 58 1HG GLN 58 -2.098 -15.084 -7.217 521 1HE2 GLN 58 1HE2 GLN 58 -3.489 -16.644 -8.053 522 2HE2 GLN 58 2HE2 GLN 58 -4.320 -17.781 -7.050 523 QB GLN 58 QB GLN 58 -1.281 -14.406 -5.221 524 QG GLN 58 QG GLN 58 -2.779 -14.610 -6.923 525 QE GLN 58 QE2 GLN 58 -3.904 -17.213 -7.551 526 H GLY 59 H GLY 59 -2.323 -12.186 -2.339 527 1HA GLY 59 1HA GLY 59 -0.518 -13.756 -0.612 528 2HA GLY 59 2HA GLY 59 -1.531 -12.432 -0.051 529 QA GLY 59 QA GLY 59 -1.025 -13.094 -0.332 530 H VAL 60 H VAL 60 -0.237 -11.708 -3.079 531 HA VAL 60 HA VAL 60 2.161 -10.586 -1.880 532 HB VAL 60 HB VAL 60 3.022 -10.141 -4.089 533 1HG1 VAL 60 1HG1 VAL 60 1.847 -12.904 -3.953 534 2HG1 VAL 60 3HG1 VAL 60 3.140 -12.405 -5.039 535 3HG1 VAL 60 2HG1 VAL 60 3.391 -12.367 -3.292 536 1HG2 VAL 60 3HG2 VAL 60 0.376 -11.113 -5.193 537 2HG2 VAL 60 2HG2 VAL 60 0.986 -9.459 -5.251 538 3HG2 VAL 60 1HG2 VAL 60 1.806 -10.728 -6.158 539 MG1 VAL 60 QG1 VAL 60 2.793 -12.559 -4.095 540 MG2 VAL 60 QG2 VAL 60 1.056 -10.434 -5.534 541 QG VAL 60 QQG VAL 60 1.924 -11.496 -4.814 542 H PHE 61 H PHE 61 2.576 -8.492 -1.680 543 HA PHE 61 HA PHE 61 0.364 -6.588 -2.082 544 1HB PHE 61 2HB PHE 61 2.524 -6.982 -0.239 545 2HB PHE 61 1HB PHE 61 2.535 -5.365 -0.902 546 HD1 PHE 61 1HD PHE 61 1.959 -6.829 1.883 547 HD2 PHE 61 2HD PHE 61 -0.335 -4.745 -1.023 548 HE1 PHE 61 1HE PHE 61 0.438 -6.122 3.636 549 HE2 PHE 61 2HE PHE 61 -1.885 -4.014 0.748 550 HZ PHE 61 HZ PHE 61 -1.461 -4.697 3.090 551 QB PHE 61 QB PHE 61 2.529 -6.174 -0.570 552 QD PHE 61 QD PHE 61 0.812 -5.787 0.430 553 QE PHE 61 QE PHE 61 -0.723 -5.068 2.192 554 QR PHE 61 QR PHE 61 -0.257 -5.281 1.667 555 H PHE 62 H PHE 62 0.554 -5.231 -3.849 556 HA PHE 62 HA PHE 62 3.193 -4.077 -4.213 557 1HB PHE 62 2HB PHE 62 2.487 -5.288 -6.305 558 2HB PHE 62 1HB PHE 62 1.046 -4.269 -6.358 559 HD1 PHE 62 1HD PHE 62 4.663 -4.402 -6.877 560 HD2 PHE 62 2HD PHE 62 1.203 -1.917 -7.021 561 HE1 PHE 62 1HE PHE 62 5.922 -2.712 -8.158 562 HE2 PHE 62 2HE PHE 62 2.458 -0.234 -8.301 563 HZ PHE 62 HZ PHE 62 4.814 -0.627 -8.868 564 QB PHE 62 QB PHE 62 1.766 -4.779 -6.331 565 QD PHE 62 QD PHE 62 2.933 -3.159 -6.949 566 QE PHE 62 QE PHE 62 4.190 -1.473 -8.229 567 QR PHE 62 QR PHE 62 3.812 -1.978 -7.845 568 H GLN 63 H GLN 63 3.153 -1.988 -3.544 569 HA GLN 63 HA GLN 63 0.532 -0.643 -3.395 570 1HB GLN 63 2HB GLN 63 1.299 -1.984 -1.286 571 2HB GLN 63 1HB GLN 63 2.460 -0.698 -1.085 572 1HG GLN 63 2HG GLN 63 -0.536 -0.363 -1.111 573 2HG GLN 63 1HG GLN 63 0.454 -0.519 0.310 574 1HE2 GLN 63 1HE2 GLN 63 2.568 1.286 -0.760 575 2HE2 GLN 63 2HE2 GLN 63 1.853 2.864 -0.699 576 QB GLN 63 QB GLN 63 1.880 -1.341 -1.185 577 QG GLN 63 QG GLN 63 -0.041 -0.441 -0.400 578 QE GLN 63 QE2 GLN 63 2.211 2.075 -0.729 579 H TRP 64 H TRP 64 0.807 1.502 -4.071 580 HA TRP 64 HA TRP 64 3.375 2.597 -3.472 581 1HB TRP 64 2HB TRP 64 3.898 3.361 -5.594 582 2HB TRP 64 1HB TRP 64 3.310 1.709 -5.895 583 HD1 TRP 64 HD TRP 64 3.301 5.098 -7.052 584 HE1 TRP 64 1HE TRP 64 1.514 5.535 -8.746 585 HE3 TRP 64 3HE TRP 64 0.420 0.946 -6.253 586 HZ2 TRP 64 2HZ TRP 64 -0.857 4.318 -9.682 587 HZ3 TRP 64 3HZ TRP 64 -1.666 0.721 -7.596 588 HH2 TRP 64 HH TRP 64 -2.240 2.344 -9.278 589 QB TRP 64 QB TRP 64 3.604 2.535 -5.744 590 H LEU 65 H LEU 65 3.326 5.017 -3.669 591 HA LEU 65 HA LEU 65 0.650 6.123 -3.489 592 1HB LEU 65 2HB LEU 65 1.051 7.235 -1.393 593 2HB LEU 65 1HB LEU 65 1.202 5.509 -1.183 594 HG LEU 65 HG LEU 65 3.566 7.270 -1.569 595 1HD1 LEU 65 2HD1 LEU 65 2.203 6.480 1.019 596 2HD1 LEU 65 1HD1 LEU 65 3.783 7.257 0.922 597 3HD1 LEU 65 3HD1 LEU 65 2.351 8.110 0.354 598 1HD2 LEU 65 3HD2 LEU 65 3.989 4.879 -1.834 599 2HD2 LEU 65 2HD2 LEU 65 4.765 5.466 -0.367 600 3HD2 LEU 65 1HD2 LEU 65 3.260 4.554 -0.262 601 MD1 LEU 65 QD1 LEU 65 2.779 7.282 0.765 602 MD2 LEU 65 QD2 LEU 65 4.005 4.966 -0.821 603 QB LEU 65 QB LEU 65 1.126 6.372 -1.288 604 QD LEU 65 QQD LEU 65 3.392 6.124 -0.028 605 H GLU 66 H GLU 66 0.533 8.316 -3.728 606 HA GLU 66 HA GLU 66 2.855 9.615 -4.999 607 1HB GLU 66 2HB GLU 66 -0.064 10.362 -5.135 608 2HB GLU 66 1HB GLU 66 1.240 10.963 -6.120 609 1HG GLU 66 2HG GLU 66 1.317 8.866 -7.337 610 2HG GLU 66 1HG GLU 66 0.051 8.209 -6.288 611 QB GLU 66 QB GLU 66 0.588 10.662 -5.627 612 QG GLU 66 QG GLU 66 0.684 8.538 -6.812 613 H GLY 67 H GLY 67 3.640 11.239 -3.642 614 1HA GLY 67 1HA GLY 67 2.587 11.949 -1.213 615 2HA GLY 67 2HA GLY 67 1.773 12.971 -2.401 616 QA GLY 67 QA GLY 67 2.180 12.460 -1.807 617 H HIS 68 H HIS 68 3.060 14.557 -0.852 618 HA HIS 68 HA HIS 68 5.402 15.468 -2.193 619 1HB HIS 68 2HB HIS 68 4.106 17.127 -0.986 620 2HB HIS 68 1HB HIS 68 4.170 16.223 0.492 621 HD1 HIS 68 1HD HIS 68 6.110 16.639 2.085 622 HD2 HIS 68 2HD HIS 68 6.255 18.412 -1.583 623 HE1 HIS 68 1HE HIS 68 8.165 18.027 2.217 624 HE2 HIS 68 2HE HIS 68 8.439 18.915 -0.138 625 QB HIS 68 QB HIS 68 4.138 16.675 -0.247 626 HA PRO 69 HA PRO 69 8.462 12.478 -1.113 627 1HB PRO 69 2HB PRO 69 10.387 14.387 -0.188 628 2HB PRO 69 1HB PRO 69 10.337 13.535 -1.730 629 1HG PRO 69 2HG PRO 69 9.343 16.224 -1.017 630 2HG PRO 69 1HG PRO 69 9.905 15.604 -2.587 631 1HD PRO 69 2HD PRO 69 7.342 16.085 -2.159 632 2HD PRO 69 1HD PRO 69 7.823 14.633 -3.062 633 QB PRO 69 QB PRO 69 10.362 13.961 -0.959 634 QG PRO 69 QG PRO 69 9.624 15.914 -1.802 635 QD PRO 69 QD PRO 69 7.582 15.359 -2.610 636 H ALA 70 H ALA 70 8.249 15.007 1.353 637 HA ALA 70 HA ALA 70 9.397 13.227 3.258 638 1HB ALA 70 3HB ALA 70 9.711 15.704 3.375 639 2HB ALA 70 1HB ALA 70 9.202 14.903 4.880 640 3HB ALA 70 2HB ALA 70 8.017 15.776 3.890 641 MB ALA 70 QB ALA 70 8.977 15.461 4.048 642 H ALA 71 H ALA 71 6.205 13.918 2.409 643 HA ALA 71 HA ALA 71 5.037 12.828 4.736 644 1HB ALA 71 2HB ALA 71 4.116 12.858 1.947 645 2HB ALA 71 1HB ALA 71 3.033 12.688 3.333 646 3HB ALA 71 3HB ALA 71 3.897 14.235 3.052 647 MB ALA 71 QB ALA 71 3.682 13.260 2.777 648 H VAL 72 H VAL 72 6.082 11.772 1.630 649 HA VAL 72 HA VAL 72 5.188 9.104 1.674 650 HB VAL 72 HB VAL 72 7.737 9.830 0.278 651 1HG1 VAL 72 3HG1 VAL 72 6.810 7.627 0.046 652 2HG1 VAL 72 2HG1 VAL 72 5.303 8.391 -0.515 653 3HG1 VAL 72 1HG1 VAL 72 6.785 8.530 -1.502 654 1HG2 VAL 72 2HG2 VAL 72 5.046 10.819 -0.619 655 2HG2 VAL 72 1HG2 VAL 72 6.465 11.773 -0.097 656 3HG2 VAL 72 3HG2 VAL 72 6.533 10.824 -1.588 657 MG1 VAL 72 QG1 VAL 72 6.299 8.183 -0.657 658 MG2 VAL 72 QG2 VAL 72 6.015 11.139 -0.768 659 QG VAL 72 QQG VAL 72 6.157 9.661 -0.713 660 H ALA 73 H ALA 73 8.160 10.742 2.590 661 HA ALA 73 HA ALA 73 9.514 8.416 3.339 662 1HB ALA 73 3HB ALA 73 10.022 11.203 4.204 663 2HB ALA 73 2HB ALA 73 11.108 9.760 4.312 664 3HB ALA 73 1HB ALA 73 10.650 10.410 2.731 665 MB ALA 73 QB ALA 73 10.593 10.458 3.749 666 H GLU 74 H GLU 74 7.556 10.677 5.110 667 HA GLU 74 HA GLU 74 7.927 9.724 7.759 668 1HB GLU 74 2HB GLU 74 6.534 11.718 7.324 669 2HB GLU 74 1HB GLU 74 5.401 10.740 6.402 670 1HG GLU 74 2HG GLU 74 4.894 9.470 8.470 671 2HG GLU 74 1HG GLU 74 5.940 10.564 9.359 672 QB GLU 74 QB GLU 74 5.967 11.229 6.863 673 QG GLU 74 QG GLU 74 5.417 10.017 8.915 674 H VAL 75 H VAL 75 5.754 8.580 5.215 675 HA VAL 75 HA VAL 75 5.095 6.460 6.897 676 HB VAL 75 HB VAL 75 3.665 7.479 4.989 677 1HG1 VAL 75 1HG1 VAL 75 5.143 5.448 3.369 678 2HG1 VAL 75 3HG1 VAL 75 3.634 6.226 2.903 679 3HG1 VAL 75 2HG1 VAL 75 5.100 7.189 3.123 680 1HG2 VAL 75 1HG2 VAL 75 3.757 4.539 5.504 681 2HG2 VAL 75 3HG2 VAL 75 2.891 5.780 6.415 682 3HG2 VAL 75 2HG2 VAL 75 2.407 5.401 4.755 683 MG1 VAL 75 QG1 VAL 75 4.626 6.288 3.132 684 MG2 VAL 75 QG2 VAL 75 3.018 5.240 5.558 685 QG VAL 75 QQG VAL 75 3.822 5.764 4.345 686 H MET 76 H MET 76 7.504 6.784 4.136 687 HA MET 76 HA MET 76 8.338 4.202 4.029 688 1HB MET 76 2HB MET 76 10.161 6.619 3.998 689 2HB MET 76 1HB MET 76 10.581 5.034 3.432 690 1HG MET 76 2HG MET 76 8.307 6.410 2.371 691 2HG MET 76 1HG MET 76 9.894 6.893 1.704 692 1HE MET 76 2HE MET 76 6.900 4.774 1.983 693 2HE MET 76 1HE MET 76 7.131 3.355 0.911 694 3HE MET 76 3HE MET 76 7.944 3.423 2.464 695 QB MET 76 QB MET 76 10.371 5.827 3.715 696 QG MET 76 QG MET 76 9.101 6.652 2.038 697 ME MET 76 QE MET 76 7.325 3.851 1.786 698 H SER 77 H SER 77 9.504 6.626 6.328 699 HA SER 77 HA SER 77 11.378 4.911 7.550 700 1HB SER 77 2HB SER 77 9.933 7.241 8.852 701 2HB SER 77 1HB SER 77 11.510 6.579 9.299 702 HG SER 77 HG SER 77 10.790 8.025 6.979 703 QB SER 77 QB SER 77 10.722 6.910 9.075 704 H HIS 78 H HIS 78 8.007 5.548 8.265 705 HA HIS 78 HA HIS 78 7.876 3.889 10.586 706 1HB HIS 78 2HB HIS 78 6.223 5.680 9.665 707 2HB HIS 78 1HB HIS 78 5.612 4.367 8.680 708 HD1 HIS 78 1HD HIS 78 5.210 5.912 11.903 709 HD2 HIS 78 2HD HIS 78 4.665 2.132 10.318 710 HE1 HIS 78 1HE HIS 78 3.650 4.766 13.463 711 HE2 HIS 78 2HE HIS 78 2.978 2.799 12.100 712 QB HIS 78 QB HIS 78 5.917 5.023 9.173 713 H ILE 79 H ILE 79 7.126 3.402 7.214 714 HA ILE 79 HA ILE 79 6.171 0.786 7.301 715 HB ILE 79 HB ILE 79 6.840 2.816 5.314 716 1HG1 ILE 79 2HG1 ILE 79 4.439 1.048 5.715 717 2HG1 ILE 79 1HG1 ILE 79 4.632 2.730 6.187 718 1HG2 ILE 79 1HG2 ILE 79 6.756 -0.001 4.477 719 2HG2 ILE 79 3HG2 ILE 79 6.393 1.338 3.388 720 3HG2 ILE 79 2HG2 ILE 79 7.981 1.241 4.146 721 1HD1 ILE 79 2HD1 ILE 79 4.829 3.336 3.818 722 2HD1 ILE 79 1HD1 ILE 79 4.526 1.664 3.371 723 3HD1 ILE 79 3HD1 ILE 79 3.266 2.594 4.202 724 MG ILE 79 QG2 ILE 79 7.043 0.860 4.004 725 MD ILE 79 QD1 ILE 79 4.207 2.531 3.797 726 QG ILE 79 QG1 ILE 79 4.536 1.889 5.951 727 H GLN 80 H GLN 80 9.372 1.968 6.257 728 HA GLN 80 HA GLN 80 10.371 -0.546 5.704 729 1HB GLN 80 2HB GLN 80 11.730 2.065 6.329 730 2HB GLN 80 1HB GLN 80 12.545 0.640 5.673 731 1HG GLN 80 2HG GLN 80 10.226 2.074 4.285 732 2HG GLN 80 1HG GLN 80 11.847 2.175 3.820 733 1HE2 GLN 80 1HE2 GLN 80 9.253 0.074 4.040 734 2HE2 GLN 80 2HE2 GLN 80 9.970 -1.090 2.972 735 QB GLN 80 QB GLN 80 12.137 1.353 6.001 736 QG GLN 80 QG GLN 80 11.036 2.124 4.053 737 QE GLN 80 QE2 GLN 80 9.612 -0.508 3.506 738 H ARG 81 H ARG 81 9.713 0.809 8.660 739 HA ARG 81 HA ARG 81 11.310 -1.223 10.071 740 1HB ARG 81 2HB ARG 81 9.993 1.337 10.994 741 2HB ARG 81 1HB ARG 81 10.694 0.142 12.067 742 1HG ARG 81 2HG ARG 81 12.837 0.491 11.203 743 2HG ARG 81 1HG ARG 81 12.237 1.611 9.969 744 1HD ARG 81 2HD ARG 81 13.229 2.741 11.964 745 2HD ARG 81 1HD ARG 81 11.544 3.171 11.672 746 HE ARG 81 HE ARG 81 11.097 1.336 13.395 747 1HH1 ARG 81 1HH1 ARG 81 13.931 3.461 13.526 748 2HH1 ARG 81 2HH1 ARG 81 14.037 3.448 15.214 749 1HH2 ARG 81 1HH2 ARG 81 11.205 1.356 15.722 750 2HH2 ARG 81 2HH2 ARG 81 12.440 2.241 16.486 751 QB ARG 81 QB ARG 81 10.343 0.740 11.530 752 QG ARG 81 QG ARG 81 12.537 1.051 10.586 753 QD ARG 81 QD ARG 81 12.387 2.956 11.818 754 QH1 ARG 81 QH1 ARG 81 13.984 3.454 14.370 755 QH2 ARG 81 QH2 ARG 81 11.822 1.799 16.104 756 H ASP 82 H ASP 82 8.705 -1.608 8.531 757 HA ASP 82 HA ASP 82 6.609 -1.625 10.495 758 1HB ASP 82 2HB ASP 82 6.676 -1.325 7.795 759 2HB ASP 82 1HB ASP 82 6.222 -2.941 7.953 760 QB ASP 82 QB ASP 82 6.449 -2.133 7.874 761 H ARG 83 H ARG 83 5.181 -3.649 9.360 762 HA ARG 83 HA ARG 83 6.053 -6.233 10.272 763 1HB ARG 83 2HB ARG 83 4.420 -6.068 12.240 764 2HB ARG 83 1HB ARG 83 5.945 -5.190 12.410 765 1HG ARG 83 2HG ARG 83 4.693 -3.184 11.439 766 2HG ARG 83 1HG ARG 83 3.229 -4.098 11.765 767 1HD ARG 83 2HD ARG 83 3.637 -4.090 14.093 768 2HD ARG 83 1HD ARG 83 5.278 -3.472 13.861 769 HE ARG 83 HE ARG 83 2.997 -1.842 12.970 770 1HH1 ARG 83 1HH1 ARG 83 5.727 -2.268 15.218 771 2HH1 ARG 83 2HH1 ARG 83 5.724 -0.642 15.707 772 1HH2 ARG 83 1HH2 ARG 83 3.019 0.313 13.624 773 2HH2 ARG 83 2HH2 ARG 83 4.123 0.895 14.796 774 QB ARG 83 QB ARG 83 5.183 -5.629 12.325 775 QG ARG 83 QG ARG 83 3.961 -3.641 11.602 776 QD ARG 83 QD ARG 83 4.458 -3.781 13.977 777 QH1 ARG 83 QH1 ARG 83 5.725 -1.455 15.463 778 QH2 ARG 83 QH2 ARG 83 3.571 0.604 14.210 779 H ARG 84 H ARG 84 3.401 -3.881 9.432 780 HA ARG 84 HA ARG 84 1.259 -5.745 9.140 781 1HB ARG 84 2HB ARG 84 1.541 -2.949 8.052 782 2HB ARG 84 1HB ARG 84 0.062 -3.837 8.410 783 1HG ARG 84 2HG ARG 84 2.045 -3.049 10.529 784 2HG ARG 84 1HG ARG 84 0.728 -2.019 10.018 785 1HD ARG 84 2HD ARG 84 0.362 -4.804 11.060 786 2HD ARG 84 1HD ARG 84 0.259 -3.361 12.067 787 HE ARG 84 HE ARG 84 -1.580 -4.255 10.005 788 1HH1 ARG 84 1HH1 ARG 84 -0.803 -1.890 12.517 789 2HH1 ARG 84 2HH1 ARG 84 -2.308 -1.131 12.507 790 1HH2 ARG 84 1HH2 ARG 84 -3.718 -3.207 10.003 791 2HH2 ARG 84 2HH2 ARG 84 -4.018 -1.898 11.073 792 QB ARG 84 QB ARG 84 0.802 -3.393 8.231 793 QG ARG 84 QG ARG 84 1.387 -2.534 10.274 794 QD ARG 84 QD ARG 84 0.311 -4.083 11.564 795 QH1 ARG 84 QH1 ARG 84 -1.555 -1.510 12.512 796 QH2 ARG 84 QH2 ARG 84 -3.868 -2.552 10.538 797 H HIS 85 H HIS 85 3.780 -5.913 7.453 798 HA HIS 85 HA HIS 85 2.804 -6.877 5.124 799 1HB HIS 85 2HB HIS 85 4.036 -5.244 3.518 800 2HB HIS 85 1HB HIS 85 2.442 -4.787 4.046 801 HD1 HIS 85 1HD HIS 85 3.424 -2.327 3.206 802 HD2 HIS 85 2HD HIS 85 5.078 -3.810 6.714 803 HE1 HIS 85 1HE HIS 85 4.683 -0.487 4.363 804 HE2 HIS 85 2HE HIS 85 4.895 -1.324 6.571 805 QB HIS 85 QB HIS 85 3.239 -5.015 3.782 806 H SER 86 H SER 86 4.214 -8.120 4.242 807 HA SER 86 HA SER 86 5.817 -9.261 6.043 808 1HB SER 86 2HB SER 86 4.656 -10.048 3.961 809 2HB SER 86 1HB SER 86 6.138 -9.701 3.149 810 HG SER 86 HG SER 86 6.258 -11.824 3.791 811 QB SER 86 QB SER 86 5.397 -9.875 3.555 812 H ASN 87 H ASN 87 6.880 -7.266 3.561 813 HA ASN 87 HA ASN 87 9.545 -7.281 4.757 814 1HB ASN 87 2HB ASN 87 9.326 -7.553 1.760 815 2HB ASN 87 1HB ASN 87 10.814 -7.510 2.669 816 1HD2 ASN 87 1HD2 ASN 87 9.862 -9.390 0.762 817 2HD2 ASN 87 2HD2 ASN 87 9.832 -10.936 1.528 818 QB ASN 87 QB ASN 87 10.070 -7.532 2.215 819 QD ASN 87 QD2 ASN 87 9.847 -10.163 1.145 820 H VAL 88 H VAL 88 7.432 -5.735 2.886 821 HA VAL 88 HA VAL 88 7.533 -4.115 1.470 822 HB VAL 88 HB VAL 88 6.431 -3.295 3.329 823 1HG1 VAL 88 2HG1 VAL 88 8.100 -3.548 4.893 824 2HG1 VAL 88 1HG1 VAL 88 8.913 -2.030 4.315 825 3HG1 VAL 88 3HG1 VAL 88 7.218 -1.960 4.892 826 1HG2 VAL 88 3HG2 VAL 88 6.919 -1.821 1.344 827 2HG2 VAL 88 2HG2 VAL 88 6.461 -0.970 2.820 828 3HG2 VAL 88 1HG2 VAL 88 8.157 -1.059 2.332 829 MG1 VAL 88 QG1 VAL 88 8.077 -2.513 4.700 830 MG2 VAL 88 QG2 VAL 88 7.179 -1.283 2.165 831 QG VAL 88 QQG VAL 88 7.628 -1.898 3.433 832 H GLU 89 H GLU 89 8.845 -4.440 0.097 833 HA GLU 89 HA GLU 89 11.404 -3.035 0.284 834 1HB GLU 89 2HB GLU 89 10.429 -5.077 -1.691 835 2HB GLU 89 1HB GLU 89 12.076 -4.448 -1.564 836 1HG GLU 89 2HG GLU 89 12.551 -5.584 0.309 837 2HG GLU 89 1HG GLU 89 10.850 -5.491 0.791 838 QB GLU 89 QB GLU 89 11.253 -4.763 -1.628 839 QG GLU 89 QG GLU 89 11.700 -5.537 0.550 840 H ILE 90 H ILE 90 10.657 -1.059 -0.049 841 HA ILE 90 HA ILE 90 9.092 0.128 -2.008 842 HB ILE 90 HB ILE 90 11.794 1.260 -1.466 843 1HG1 ILE 90 2HG1 ILE 90 11.138 0.513 0.716 844 2HG1 ILE 90 1HG1 ILE 90 10.943 2.257 0.646 845 1HG2 ILE 90 3HG2 ILE 90 10.176 2.577 -2.893 846 2HG2 ILE 90 2HG2 ILE 90 9.055 2.537 -1.503 847 3HG2 ILE 90 1HG2 ILE 90 10.538 3.408 -1.368 848 1HD1 ILE 90 2HD1 ILE 90 8.570 1.965 0.240 849 2HD1 ILE 90 1HD1 ILE 90 8.773 0.219 0.372 850 3HD1 ILE 90 3HD1 ILE 90 9.076 1.250 1.783 851 MG ILE 90 QG2 ILE 90 9.923 2.841 -1.921 852 MD ILE 90 QD1 ILE 90 8.806 1.145 0.799 853 QG ILE 90 QG1 ILE 90 11.040 1.385 0.681 854 H LEU 91 H LEU 91 12.390 -0.146 -2.389 855 HA LEU 91 HA LEU 91 13.762 -0.810 -4.042 856 1HB LEU 91 2HB LEU 91 11.306 -2.121 -5.185 857 2HB LEU 91 1HB LEU 91 12.924 -2.359 -5.811 858 HG LEU 91 HG LEU 91 11.948 -3.200 -3.042 859 1HD1 LEU 91 2HD1 LEU 91 11.066 -4.545 -4.868 860 2HD1 LEU 91 1HD1 LEU 91 12.701 -4.791 -5.481 861 3HD1 LEU 91 3HD1 LEU 91 12.244 -5.442 -3.909 862 1HD2 LEU 91 1HD2 LEU 91 14.624 -3.585 -4.390 863 2HD2 LEU 91 3HD2 LEU 91 14.315 -2.544 -3.001 864 3HD2 LEU 91 2HD2 LEU 91 14.123 -4.288 -2.857 865 MD1 LEU 91 QD1 LEU 91 12.004 -4.926 -4.752 866 MD2 LEU 91 QD2 LEU 91 14.354 -3.472 -3.416 867 QB LEU 91 QB LEU 91 12.115 -2.240 -5.498 868 QD LEU 91 QQD LEU 91 13.179 -4.199 -4.084 869 H ALA 92 H ALA 92 10.910 0.921 -4.900 870 HA ALA 92 HA ALA 92 12.381 2.276 -7.066 871 1HB ALA 92 1HB ALA 92 10.813 0.774 -8.125 872 2HB ALA 92 2HB ALA 92 10.261 2.459 -8.293 873 3HB ALA 92 3HB ALA 92 9.523 1.403 -7.093 874 MB ALA 92 QB ALA 92 10.199 1.545 -7.837 875 H GLU 93 H GLU 93 12.434 4.379 -6.778 876 HA GLU 93 HA GLU 93 10.342 5.732 -5.247 877 1HB GLU 93 2HB GLU 93 13.333 6.256 -4.937 878 2HB GLU 93 1HB GLU 93 11.996 6.942 -4.025 879 1HG GLU 93 2HG GLU 93 11.602 5.085 -2.832 880 2HG GLU 93 1HG GLU 93 12.476 4.029 -3.954 881 QB GLU 93 QB GLU 93 12.665 6.599 -4.481 882 QG GLU 93 QG GLU 93 12.039 4.557 -3.393 883 H GLU 94 H GLU 94 9.525 7.082 -6.788 884 HA GLU 94 HA GLU 94 11.439 8.419 -8.577 885 1HB GLU 94 2HB GLU 94 9.669 8.249 -10.360 886 2HB GLU 94 1HB GLU 94 10.447 6.739 -9.922 887 1HG GLU 94 2HG GLU 94 8.503 6.183 -8.503 888 2HG GLU 94 1HG GLU 94 7.732 7.680 -9.024 889 QB GLU 94 QB GLU 94 10.058 7.494 -10.141 890 QG GLU 94 QG GLU 94 8.117 6.931 -8.764 891 H SER 95 H SER 95 11.023 10.563 -9.119 892 HA SER 95 HA SER 95 9.201 12.000 -7.413 893 1HB SER 95 2HB SER 95 10.994 12.931 -9.665 894 2HB SER 95 1HB SER 95 10.105 13.964 -8.540 895 HG SER 95 HG SER 95 12.506 13.144 -8.179 896 QB SER 95 QB SER 95 10.550 13.448 -9.103 897 H ILE 96 H ILE 96 7.262 12.712 -7.950 898 HA ILE 96 HA ILE 96 6.391 12.217 -10.743 899 HB ILE 96 HB ILE 96 4.212 11.770 -9.976 900 1HG1 ILE 96 2HG1 ILE 96 5.351 11.230 -7.267 901 2HG1 ILE 96 1HG1 ILE 96 4.733 12.822 -7.663 902 1HG2 ILE 96 2HG2 ILE 96 5.709 9.985 -10.646 903 2HG2 ILE 96 1HG2 ILE 96 6.369 9.881 -9.017 904 3HG2 ILE 96 3HG2 ILE 96 4.694 9.408 -9.321 905 1HD1 ILE 96 1HD1 ILE 96 3.156 10.287 -7.804 906 2HD1 ILE 96 3HD1 ILE 96 3.220 11.422 -6.454 907 3HD1 ILE 96 2HD1 ILE 96 2.604 11.978 -7.990 908 MG ILE 96 QG2 ILE 96 5.591 9.758 -9.661 909 MD ILE 96 QD1 ILE 96 2.993 11.229 -7.416 910 QG ILE 96 QG1 ILE 96 5.042 12.026 -7.465 911 H ALA 97 H ALA 97 4.269 13.177 -11.256 912 HA ALA 97 HA ALA 97 4.263 15.941 -10.376 913 1HB ALA 97 3HB ALA 97 4.329 15.341 -12.839 914 2HB ALA 97 1HB ALA 97 3.034 16.460 -12.301 915 3HB ALA 97 2HB ALA 97 2.659 14.774 -12.535 916 MB ALA 97 QB ALA 97 3.341 15.525 -12.558 917 H LYS 98 H LYS 98 2.999 13.281 -9.795 918 HA LYS 98 HA LYS 98 1.094 12.303 -8.990 919 1HB LYS 98 2HB LYS 98 2.094 13.957 -7.443 920 2HB LYS 98 1HB LYS 98 0.754 14.981 -7.882 921 1HG LYS 98 2HG LYS 98 0.004 12.305 -7.074 922 2HG LYS 98 1HG LYS 98 0.995 13.205 -5.947 923 1HD LYS 98 2HD LYS 98 -0.988 14.887 -6.945 924 2HD LYS 98 1HD LYS 98 -1.732 13.436 -6.187 925 1HE LYS 98 2HE LYS 98 -0.170 13.722 -4.438 926 2HE LYS 98 1HE LYS 98 0.317 15.270 -5.174 927 1HZ LYS 98 3HZ LYS 98 -2.491 14.693 -4.401 928 2HZ LYS 98 2HZ LYS 98 -1.504 15.431 -3.285 929 3HZ LYS 98 1HZ LYS 98 -1.869 16.194 -4.777 930 QB LYS 98 QB LYS 98 1.424 14.469 -7.662 931 QD LYS 98 QD LYS 98 -1.360 14.162 -6.566 932 QG LYS 98 QG LYS 98 0.500 12.755 -6.511 933 QE LYS 98 QE LYS 98 0.073 14.496 -4.806 934 QZ LYS 98 QZ LYS 98 -1.955 15.439 -4.154 935 H ARG 99 H ARG 99 -1.286 13.207 -8.398 936 HA ARG 99 HA ARG 99 -3.377 13.795 -9.146 937 1HB ARG 99 2HB ARG 99 -1.914 14.969 -11.538 938 2HB ARG 99 1HB ARG 99 -3.648 15.154 -11.273 939 1HG ARG 99 2HG ARG 99 -3.197 16.493 -9.300 940 2HG ARG 99 1HG ARG 99 -1.472 16.164 -9.446 941 1HD ARG 99 2HD ARG 99 -1.547 17.269 -11.699 942 2HD ARG 99 1HD ARG 99 -3.202 17.755 -11.335 943 HE ARG 99 HE ARG 99 -2.258 18.944 -9.377 944 1HH1 ARG 99 1HH1 ARG 99 -0.247 18.396 -12.251 945 2HH1 ARG 99 2HH1 ARG 99 0.871 19.624 -11.903 946 1HH2 ARG 99 1HH2 ARG 99 -0.753 20.640 -8.897 947 2HH2 ARG 99 2HH2 ARG 99 0.573 20.966 -9.918 948 QB ARG 99 QB ARG 99 -2.781 15.061 -11.405 949 QG ARG 99 QG ARG 99 -2.335 16.329 -9.373 950 QD ARG 99 QD ARG 99 -2.374 17.512 -11.517 951 QH1 ARG 99 QH1 ARG 99 0.312 19.010 -12.077 952 QH2 ARG 99 QH2 ARG 99 -0.090 20.803 -9.407 953 H ARG 100 H ARG 100 -1.775 11.419 -9.699 954 HA ARG 100 HA ARG 100 -2.705 10.451 -12.233 955 1HB ARG 100 2HB ARG 100 -1.242 9.036 -10.012 956 2HB ARG 100 1HB ARG 100 -1.400 8.477 -11.669 957 1HG ARG 100 2HG ARG 100 -0.046 10.282 -12.475 958 2HG ARG 100 1HG ARG 100 -0.045 11.028 -10.873 959 1HD ARG 100 2HD ARG 100 2.068 9.890 -11.257 960 2HD ARG 100 1HD ARG 100 1.157 9.065 -9.994 961 HE ARG 100 HE ARG 100 0.740 8.021 -12.624 962 1HH1 ARG 100 1HH1 ARG 100 2.824 7.753 -9.715 963 2HH1 ARG 100 2HH1 ARG 100 3.368 6.185 -10.141 964 1HH2 ARG 100 1HH2 ARG 100 1.514 5.873 -13.108 965 2HH2 ARG 100 2HH2 ARG 100 2.627 5.127 -12.059 966 QB ARG 100 QB ARG 100 -1.321 8.757 -10.841 967 QG ARG 100 QG ARG 100 -0.046 10.655 -11.674 968 QD ARG 100 QD ARG 100 1.612 9.477 -10.625 969 QH1 ARG 100 QH1 ARG 100 3.096 6.969 -9.928 970 QH2 ARG 100 QH2 ARG 100 2.071 5.500 -12.584 971 H PHE 101 H PHE 101 -3.134 9.476 -8.759 972 HA PHE 101 HA PHE 101 -5.563 8.227 -9.728 973 1HB PHE 101 2HB PHE 101 -3.713 7.321 -7.564 974 2HB PHE 101 1HB PHE 101 -5.396 6.796 -7.556 975 HD1 PHE 101 1HD PHE 101 -6.005 4.934 -8.750 976 HD2 PHE 101 2HD PHE 101 -2.426 6.959 -9.814 977 HE1 PHE 101 1HE PHE 101 -5.515 3.183 -10.401 978 HE2 PHE 101 2HE PHE 101 -1.925 5.216 -11.473 979 HZ PHE 101 HZ PHE 101 -3.474 3.320 -11.774 980 QB PHE 101 QB PHE 101 -4.555 7.059 -7.560 981 QD PHE 101 QD PHE 101 -4.215 5.946 -9.282 982 QE PHE 101 QE PHE 101 -3.720 4.199 -10.937 983 QR PHE 101 QR PHE 101 -3.869 4.722 -10.442 984 H ALA 102 H ALA 102 -4.588 10.630 -7.961 985 HA ALA 102 HA ALA 102 -5.567 12.316 -6.751 986 1HB ALA 102 2HB ALA 102 -7.072 12.370 -8.709 987 2HB ALA 102 3HB ALA 102 -7.855 12.934 -7.232 988 3HB ALA 102 1HB ALA 102 -8.189 11.314 -7.845 989 MB ALA 102 QB ALA 102 -7.706 12.206 -7.929 990 H GLY 103 H GLY 103 -6.512 9.234 -5.931 991 1HA GLY 103 1HA GLY 103 -8.053 9.125 -3.800 992 2HA GLY 103 2HA GLY 103 -6.691 10.049 -3.141 993 QA GLY 103 QA GLY 103 -7.372 9.587 -3.471 994 H TRP 104 H TRP 104 -6.418 8.006 -1.761 995 HA TRP 104 HA TRP 104 -4.696 6.161 -3.166 996 1HB TRP 104 2HB TRP 104 -3.865 6.870 -1.027 997 2HB TRP 104 1HB TRP 104 -5.401 6.529 -0.257 998 HD1 TRP 104 HD TRP 104 -2.094 4.866 -1.139 999 HE1 TRP 104 1HE TRP 104 -2.077 2.535 -0.139 1000 HE3 TRP 104 3HE TRP 104 -6.976 4.598 0.310 1001 HZ2 TRP 104 2HZ TRP 104 -4.006 0.788 1.159 1002 HZ3 TRP 104 3HZ TRP 104 -7.785 2.821 1.324 1003 HH2 TRP 104 HH TRP 104 -6.441 0.876 1.798 1004 QB TRP 104 QB TRP 104 -4.633 6.700 -0.642 1005 H HIS 105 H HIS 105 -5.099 3.852 -3.465 1006 HA HIS 105 HA HIS 105 -7.912 3.222 -3.009 1007 1HB HIS 105 2HB HIS 105 -6.262 2.879 -5.477 1008 2HB HIS 105 1HB HIS 105 -7.825 2.072 -5.264 1009 HD1 HIS 105 1HD HIS 105 -6.206 5.318 -6.086 1010 HD2 HIS 105 2HD HIS 105 -10.045 3.899 -5.386 1011 HE1 HIS 105 1HE HIS 105 -7.763 7.100 -6.945 1012 HE2 HIS 105 2HE HIS 105 -10.017 6.029 -6.823 1013 QB HIS 105 QB HIS 105 -7.044 2.476 -5.370 1014 H MET 106 H MET 106 -8.341 1.270 -2.342 1015 HA MET 106 HA MET 106 -6.229 -0.733 -2.112 1016 1HB MET 106 2HB MET 106 -7.042 -0.383 0.068 1017 2HB MET 106 1HB MET 106 -8.669 -0.055 -0.486 1018 1HG MET 106 2HG MET 106 -8.546 -2.129 0.781 1019 2HG MET 106 1HG MET 106 -9.039 -2.419 -0.872 1020 1HE MET 106 3HE MET 106 -5.512 -1.935 0.908 1021 2HE MET 106 2HE MET 106 -6.347 -3.130 1.901 1022 3HE MET 106 1HE MET 106 -4.958 -3.618 0.932 1023 QB MET 106 QB MET 106 -7.855 -0.219 -0.209 1024 QG MET 106 QG MET 106 -8.792 -2.274 -0.046 1025 ME MET 106 QE MET 106 -5.605 -2.894 1.247 1026 H GLN 107 H GLN 107 -6.535 -2.652 -3.129 1027 HA GLN 107 HA GLN 107 -8.466 -2.682 -5.243 1028 1HB GLN 107 2HB GLN 107 -6.170 -3.594 -5.477 1029 2HB GLN 107 1HB GLN 107 -6.596 -4.886 -4.368 1030 1HG GLN 107 2HG GLN 107 -8.411 -5.543 -5.940 1031 2HG GLN 107 1HG GLN 107 -7.777 -4.355 -7.071 1032 1HE2 GLN 107 1HE2 GLN 107 -8.055 -7.173 -7.322 1033 2HE2 GLN 107 2HE2 GLN 107 -6.487 -7.817 -7.660 1034 QB GLN 107 QB GLN 107 -6.383 -4.240 -4.923 1035 QG GLN 107 QG GLN 107 -8.094 -4.949 -6.506 1036 QE GLN 107 QE2 GLN 107 -7.271 -7.495 -7.491 1037 H LEU 108 H LEU 108 -8.108 -4.356 -2.172 1038 HA LEU 108 HA LEU 108 -10.285 -6.159 -2.718 1039 1HB LEU 108 2HB LEU 108 -8.620 -5.718 -0.251 1040 2HB LEU 108 1HB LEU 108 -10.031 -6.742 -0.226 1041 HG LEU 108 HG LEU 108 -8.075 -8.095 -0.390 1042 1HD1 LEU 108 3HD1 LEU 108 -10.013 -8.870 -1.596 1043 2HD1 LEU 108 2HD1 LEU 108 -9.452 -8.049 -3.058 1044 3HD1 LEU 108 1HD1 LEU 108 -8.519 -9.374 -2.379 1045 1HD2 LEU 108 3HD2 LEU 108 -6.529 -6.479 -1.322 1046 2HD2 LEU 108 2HD2 LEU 108 -6.510 -7.970 -2.265 1047 3HD2 LEU 108 1HD2 LEU 108 -7.362 -6.548 -2.874 1048 MD1 LEU 108 QD1 LEU 108 -9.328 -8.764 -2.345 1049 MD2 LEU 108 QD2 LEU 108 -6.800 -6.999 -2.154 1050 QB LEU 108 QB LEU 108 -9.325 -6.230 -0.238 1051 QD LEU 108 QQD LEU 108 -8.064 -7.882 -2.249 1052 H SER 109 H SER 109 -9.905 -4.172 0.155 1053 HA SER 109 HA SER 109 -11.256 -2.902 1.385 1054 1HB SER 109 2HB SER 109 -12.934 -2.591 -1.122 1055 2HB SER 109 1HB SER 109 -13.047 -1.581 0.320 1056 HG SER 109 HG SER 109 -11.397 -0.484 -0.353 1057 QB SER 109 QB SER 109 -12.991 -2.086 -0.401 1058 H CYS 110 H CYS 110 -12.989 -5.224 -0.531 1059 HA CYS 110 HA CYS 110 -14.129 -6.519 1.737 1060 1HB CYS 110 2HB CYS 110 -16.509 -6.197 1.014 1061 2HB CYS 110 1HB CYS 110 -15.756 -4.718 1.611 1062 HG CYS 110 HG CYS 110 -17.514 -4.807 -0.938 1063 QB CYS 110 QB CYS 110 -16.133 -5.458 1.312 1064 H SER 111 H SER 111 -13.737 -6.041 -1.722 1065 HA SER 111 HA SER 111 -13.981 -7.225 -3.499 1066 1HB SER 111 2HB SER 111 -13.141 -9.667 -3.414 1067 2HB SER 111 1HB SER 111 -12.011 -8.418 -2.917 1068 HG SER 111 HG SER 111 -13.574 -9.415 -0.907 1069 QB SER 111 QB SER 111 -12.576 -9.043 -3.165 1070 H GLU 112 H GLU 112 -16.070 -6.625 -3.175 1071 HA GLU 112 HA GLU 112 -18.301 -6.830 -3.454 1072 1HB GLU 112 2HB GLU 112 -17.943 -9.815 -3.701 1073 2HB GLU 112 1HB GLU 112 -19.323 -8.860 -4.173 1074 1HG GLU 112 2HG GLU 112 -17.958 -7.859 -5.935 1075 2HG GLU 112 1HG GLU 112 -16.626 -8.923 -5.458 1076 QB GLU 112 QB GLU 112 -18.633 -9.337 -3.937 1077 QG GLU 112 QG GLU 112 -17.292 -8.391 -5.696 1078 H ALA 113 H ALA 113 -17.397 -9.829 -1.887 1079 HA ALA 113 HA ALA 113 -18.233 -11.077 -0.274 1080 1HB ALA 113 2HB ALA 113 -19.192 -8.527 1.055 1081 2HB ALA 113 3HB ALA 113 -17.559 -9.173 1.218 1082 3HB ALA 113 1HB ALA 113 -18.940 -10.079 1.847 1083 MB ALA 113 QB ALA 113 -18.564 -9.260 1.373 1084 H ASP 114 H ASP 114 -19.800 -10.005 -2.486 1085 HA ASP 114 HA ASP 114 -22.498 -10.698 -1.590 1086 1HB ASP 114 2HB ASP 114 -22.342 -8.577 -2.760 1087 2HB ASP 114 1HB ASP 114 -21.555 -9.351 -4.128 1088 QB ASP 114 QB ASP 114 -21.948 -8.964 -3.444 1089 H MET 115 H MET 115 -20.646 -11.095 -4.598 1090 HA MET 115 HA MET 115 -22.008 -13.561 -5.203 1091 1HB MET 115 2HB MET 115 -21.195 -11.881 -6.930 1092 2HB MET 115 1HB MET 115 -19.566 -12.389 -6.498 1093 1HG MET 115 2HG MET 115 -19.975 -14.605 -7.294 1094 2HG MET 115 1HG MET 115 -21.654 -14.203 -7.660 1095 1HE MET 115 2HE MET 115 -17.884 -13.626 -8.605 1096 2HE MET 115 1HE MET 115 -18.010 -12.418 -9.885 1097 3HE MET 115 3HE MET 115 -18.404 -11.984 -8.223 1098 QB MET 115 QB MET 115 -20.381 -12.135 -6.714 1099 QG MET 115 QG MET 115 -20.815 -14.404 -7.477 1100 ME MET 115 QE MET 115 -18.099 -12.676 -8.904 1101 H ARG 116 H ARG 116 -18.653 -12.592 -4.554 1102 HA ARG 116 HA ARG 116 -17.016 -13.515 -3.320 1103 1HB ARG 116 2HB ARG 116 -19.182 -15.379 -2.416 1104 2HB ARG 116 1HB ARG 116 -17.574 -15.313 -1.686 1105 1HG ARG 116 2HG ARG 116 -17.967 -13.093 -0.900 1106 2HG ARG 116 1HG ARG 116 -19.440 -12.961 -1.853 1107 1HD ARG 116 2HD ARG 116 -19.023 -14.859 0.463 1108 2HD ARG 116 1HD ARG 116 -19.888 -13.323 0.525 1109 HE ARG 116 HE ARG 116 -20.902 -15.104 -1.478 1110 1HH1 ARG 116 1HH1 ARG 116 -21.120 -14.271 1.967 1111 2HH1 ARG 116 2HH1 ARG 116 -22.688 -14.896 2.144 1112 1HH2 ARG 116 1HH2 ARG 116 -23.058 -15.982 -1.187 1113 2HH2 ARG 116 2HH2 ARG 116 -23.799 -15.905 0.339 1114 QB ARG 116 QB ARG 116 -18.378 -15.346 -2.051 1115 QG ARG 116 QG ARG 116 -18.704 -13.027 -1.377 1116 QD ARG 116 QD ARG 116 -19.456 -14.091 0.494 1117 QH1 ARG 116 QH1 ARG 116 -21.904 -14.584 2.056 1118 QH2 ARG 116 QH2 ARG 116 -23.428 -15.944 -0.424 1119 H SER 117 H SER 117 -18.463 -15.095 -5.829 1120 HA SER 117 HA SER 117 -17.202 -17.609 -5.854 1121 1HB SER 117 2HB SER 117 -18.264 -15.990 -8.168 1122 2HB SER 117 1HB SER 117 -18.045 -17.740 -8.111 1123 HG SER 117 HG SER 117 -19.958 -17.808 -7.354 1124 QB SER 117 QB SER 117 -18.154 -16.865 -8.139 1125 H LEU 118 H LEU 118 -15.780 -14.716 -6.004 1126 HA LEU 118 HA LEU 118 -13.827 -15.158 -8.031 1127 1HB LEU 118 2HB LEU 118 -12.662 -13.180 -6.925 1128 2HB LEU 118 1HB LEU 118 -14.234 -12.899 -7.630 1129 HG LEU 118 HG LEU 118 -15.202 -13.057 -5.298 1130 1HD1 LEU 118 1HD1 LEU 118 -13.411 -14.235 -4.175 1131 2HD1 LEU 118 3HD1 LEU 118 -12.323 -12.870 -4.441 1132 3HD1 LEU 118 2HD1 LEU 118 -13.733 -12.686 -3.398 1133 1HD2 LEU 118 2HD2 LEU 118 -14.877 -10.929 -6.419 1134 2HD2 LEU 118 1HD2 LEU 118 -14.555 -10.785 -4.697 1135 3HD2 LEU 118 3HD2 LEU 118 -13.212 -10.859 -5.835 1136 MD1 LEU 118 QD1 LEU 118 -13.156 -13.264 -4.005 1137 MD2 LEU 118 QD2 LEU 118 -14.215 -10.858 -5.650 1138 QB LEU 118 QB LEU 118 -13.448 -13.040 -7.277 1139 QD LEU 118 QQD LEU 118 -13.685 -12.061 -4.828 1140 H GLY 119 H GLY 119 -14.211 -16.809 -5.287 1141 1HA GLY 119 1HA GLY 119 -11.322 -17.090 -4.784 1142 2HA GLY 119 2HA GLY 119 -12.260 -18.499 -5.258 1143 QA GLY 119 QA GLY 119 -11.791 -17.795 -5.021 1144 H LEU 120 H LEU 120 -13.595 -16.037 -3.256 1145 HA LEU 120 HA LEU 120 -12.965 -17.100 -0.696 1146 1HB LEU 120 2HB LEU 120 -13.881 -14.755 -1.291 1147 2HB LEU 120 1HB LEU 120 -15.407 -15.621 -1.475 1148 HG LEU 120 HG LEU 120 -15.488 -16.166 0.869 1149 1HD1 LEU 120 1HD1 LEU 120 -12.854 -14.707 1.102 1150 2HD1 LEU 120 3HD1 LEU 120 -13.834 -15.292 2.446 1151 3HD1 LEU 120 2HD1 LEU 120 -13.120 -16.439 1.328 1152 1HD2 LEU 120 2HD2 LEU 120 -14.860 -13.253 0.409 1153 2HD2 LEU 120 1HD2 LEU 120 -16.425 -14.031 0.178 1154 3HD2 LEU 120 3HD2 LEU 120 -15.729 -13.908 1.794 1155 MD1 LEU 120 QD1 LEU 120 -13.269 -15.479 1.625 1156 MD2 LEU 120 QD2 LEU 120 -15.672 -13.731 0.794 1157 QB LEU 120 QB LEU 120 -14.644 -15.188 -1.383 1158 QD LEU 120 QQD LEU 120 -14.471 -14.605 1.209 1159 H ALA 121 H ALA 121 -15.835 -17.254 -2.758 1160 HA ALA 121 HA ALA 121 -16.671 -19.502 -1.230 1161 1HB ALA 121 2HB ALA 121 -18.939 -19.129 -2.160 1162 2HB ALA 121 1HB ALA 121 -18.331 -17.719 -1.286 1163 3HB ALA 121 3HB ALA 121 -18.315 -17.742 -3.046 1164 MB ALA 121 QB ALA 121 -18.528 -18.197 -2.164 1165 H GLU 122 H GLU 122 -15.408 -21.006 -2.314 1166 HA GLU 122 HA GLU 122 -15.683 -21.309 -5.201 1167 1HB GLU 122 2HB GLU 122 -13.430 -21.480 -4.265 1168 2HB GLU 122 1HB GLU 122 -13.960 -22.736 -3.160 1169 1HG GLU 122 2HG GLU 122 -14.376 -24.227 -5.052 1170 2HG GLU 122 1HG GLU 122 -13.835 -22.969 -6.163 1171 QB GLU 122 QB GLU 122 -13.695 -22.108 -3.712 1172 QG GLU 122 QG GLU 122 -14.106 -23.598 -5.607 1173 H SER 123 H SER 123 -16.560 -22.732 -2.167 1174 HA SER 123 HA SER 123 -17.958 -24.280 -1.494 1175 1HB SER 123 2HB SER 123 -19.045 -24.187 -4.314 1176 2HB SER 123 1HB SER 123 -19.823 -25.015 -2.957 1177 HG SER 123 HG SER 123 -19.038 -22.382 -2.620 1178 QB SER 123 QB SER 123 -19.434 -24.601 -3.636 1179 H ARG 124 H ARG 124 -16.794 -25.852 -0.885 1180 HA ARG 124 HA ARG 124 -15.343 -27.762 -2.208 1181 1HB ARG 124 2HB ARG 124 -15.558 -29.224 -0.241 1182 2HB ARG 124 1HB ARG 124 -15.280 -27.559 0.230 1183 1HG ARG 124 2HG ARG 124 -18.021 -28.822 0.214 1184 2HG ARG 124 1HG ARG 124 -16.953 -28.866 1.615 1185 1HD ARG 124 2HD ARG 124 -16.987 -26.465 1.779 1186 2HD ARG 124 1HD ARG 124 -17.876 -26.330 0.262 1187 HE ARG 124 HE ARG 124 -19.362 -27.901 1.952 1188 1HH1 ARG 124 1HH1 ARG 124 -18.136 -24.579 2.107 1189 2HH1 ARG 124 2HH1 ARG 124 -19.570 -23.918 2.739 1190 1HH2 ARG 124 1HH2 ARG 124 -21.356 -26.988 2.803 1191 2HH2 ARG 124 2HH2 ARG 124 -21.446 -25.335 3.172 1192 QB ARG 124 QB ARG 124 -15.419 -28.391 -0.005 1193 QG ARG 124 QG ARG 124 -17.487 -28.844 0.915 1194 QD ARG 124 QD ARG 124 -17.431 -26.397 1.021 1195 QH1 ARG 124 QH1 ARG 124 -18.853 -24.248 2.423 1196 QH2 ARG 124 QH2 ARG 124 -21.401 -26.162 2.987 1197 H GLN 125 H GLN 125 -18.780 -27.549 -2.157 1198 HA GLN 125 HA GLN 125 -18.962 -29.651 -4.065 1199 1HB GLN 125 2HB GLN 125 -19.161 -30.872 -1.874 1200 2HB GLN 125 1HB GLN 125 -20.547 -29.865 -1.486 1201 1HG GLN 125 2HG GLN 125 -21.472 -31.849 -2.254 1202 2HG GLN 125 1HG GLN 125 -21.597 -30.739 -3.607 1203 1HE2 GLN 125 1HE2 GLN 125 -18.540 -31.216 -4.131 1204 2HE2 GLN 125 2HE2 GLN 125 -18.561 -32.708 -4.940 1205 QB GLN 125 QB GLN 125 -19.854 -30.369 -1.680 1206 QG GLN 125 QG GLN 125 -21.534 -31.294 -2.931 1207 QE GLN 125 QE2 GLN 125 -18.550 -31.962 -4.535 No H/Q in entry = 1207 Start of MODEL 3 1 H1 LEU 5 2HT LEU 5 1.003 35.287 -22.813 2 H2 LEU 5 1HT LEU 5 1.944 34.457 -23.951 3 H3 LEU 5 3HT LEU 5 0.251 34.453 -24.057 4 HA LEU 5 HA LEU 5 0.093 33.276 -21.994 5 1HB LEU 5 2HB LEU 5 0.320 32.011 -24.124 6 2HB LEU 5 1HB LEU 5 2.060 31.993 -23.875 7 HG LEU 5 HG LEU 5 1.737 30.616 -21.871 8 1HD1 LEU 5 1HD1 LEU 5 -1.145 30.652 -22.710 9 2HD1 LEU 5 3HD1 LEU 5 -0.448 29.582 -21.500 10 3HD1 LEU 5 2HD1 LEU 5 -0.477 31.324 -21.218 11 1HD2 LEU 5 1HD2 LEU 5 2.181 29.596 -24.025 12 2HD2 LEU 5 3HD2 LEU 5 1.113 28.579 -23.057 13 3HD2 LEU 5 2HD2 LEU 5 0.452 29.557 -24.371 14 MD1 LEU 5 QD1 LEU 5 -0.690 30.520 -21.810 15 MD2 LEU 5 QD2 LEU 5 1.249 29.244 -23.818 16 QB LEU 5 QB LEU 5 1.190 32.002 -23.999 17 QD LEU 5 QQD LEU 5 0.279 29.882 -22.814 18 H GLU 6 H GLU 6 1.029 32.646 -20.146 19 HA GLU 6 HA GLU 6 3.778 33.443 -19.651 20 1HB GLU 6 2HB GLU 6 1.912 34.444 -18.274 21 2HB GLU 6 1HB GLU 6 1.616 32.787 -17.738 22 1HG GLU 6 2HG GLU 6 2.852 34.294 -16.215 23 2HG GLU 6 1HG GLU 6 3.643 32.736 -16.544 24 QB GLU 6 QB GLU 6 1.764 33.615 -18.006 25 QG GLU 6 QG GLU 6 3.248 33.515 -16.379 26 H ALA 7 H ALA 7 4.894 32.092 -18.161 27 HA ALA 7 HA ALA 7 5.396 29.541 -19.081 28 1HB ALA 7 2HB ALA 7 5.805 30.471 -16.246 29 2HB ALA 7 1HB ALA 7 6.631 29.127 -17.037 30 3HB ALA 7 3HB ALA 7 6.900 30.781 -17.590 31 MB ALA 7 QB ALA 7 6.445 30.126 -16.958 32 H ASP 8 H ASP 8 4.637 27.601 -18.805 33 HA ASP 8 HA ASP 8 2.111 27.241 -17.390 34 1HB ASP 8 2HB ASP 8 2.330 26.555 -19.766 35 2HB ASP 8 1HB ASP 8 3.638 25.472 -19.323 36 QB ASP 8 QB ASP 8 2.984 26.013 -19.544 37 H VAL 9 H VAL 9 1.907 25.089 -16.151 38 HA VAL 9 HA VAL 9 3.808 24.920 -14.284 39 HB VAL 9 HB VAL 9 2.696 22.806 -13.502 40 1HG1 VAL 9 2HG1 VAL 9 0.952 25.195 -14.089 41 2HG1 VAL 9 1HG1 VAL 9 0.608 23.946 -12.889 42 3HG1 VAL 9 3HG1 VAL 9 2.010 24.994 -12.697 43 1HG2 VAL 9 3HG2 VAL 9 2.012 22.004 -15.670 44 2HG2 VAL 9 2HG2 VAL 9 0.590 22.194 -14.612 45 3HG2 VAL 9 1HG2 VAL 9 0.964 23.404 -15.859 46 MG1 VAL 9 QG1 VAL 9 1.190 24.711 -13.225 47 MG2 VAL 9 QG2 VAL 9 1.189 22.534 -15.380 48 QG VAL 9 QQG VAL 9 1.189 23.623 -14.303 49 H THR 10 H THR 10 3.518 23.291 -17.302 50 HA THR 10 HA THR 10 4.764 21.868 -18.496 51 HB THR 10 HB THR 10 7.131 21.940 -18.252 52 HG1 THR 10 1HG THR 10 6.632 22.893 -15.827 53 1HG2 THR 10 1HG2 THR 10 6.017 23.491 -19.697 54 2HG2 THR 10 3HG2 THR 10 5.753 24.610 -18.360 55 3HG2 THR 10 2HG2 THR 10 7.388 24.309 -18.944 56 MG THR 10 QG2 THR 10 6.386 24.137 -19.001 57 H MET 11 H MET 11 7.077 20.268 -17.845 58 HA MET 11 HA MET 11 5.548 18.091 -16.785 59 1HB MET 11 2HB MET 11 8.282 18.301 -18.007 60 2HB MET 11 1HB MET 11 7.640 16.803 -17.359 61 1HG MET 11 2HG MET 11 5.791 16.904 -18.952 62 2HG MET 11 1HG MET 11 6.421 18.415 -19.593 63 1HE MET 11 2HE MET 11 9.570 17.885 -19.610 64 2HE MET 11 1HE MET 11 9.796 17.242 -21.229 65 3HE MET 11 3HE MET 11 8.711 18.606 -20.976 66 QB MET 11 QB MET 11 7.961 17.552 -17.683 67 QG MET 11 QG MET 11 6.106 17.659 -19.273 68 ME MET 11 QE MET 11 9.359 17.911 -20.605 69 H THR 12 H THR 12 6.697 16.532 -15.357 70 HA THR 12 HA THR 12 7.521 15.830 -13.428 71 HB THR 12 HB THR 12 9.391 16.736 -12.371 72 HG1 THR 12 1HG THR 12 8.881 18.988 -13.973 73 1HG2 THR 12 1HG2 THR 12 9.683 16.680 -15.362 74 2HG2 THR 12 3HG2 THR 12 11.055 16.667 -14.256 75 3HG2 THR 12 2HG2 THR 12 9.894 15.342 -14.229 76 MG THR 12 QG2 THR 12 10.211 16.230 -14.616 77 H GLY 13 H GLY 13 5.918 18.767 -13.509 78 1HA GLY 13 1HA GLY 13 4.884 18.421 -10.871 79 2HA GLY 13 2HA GLY 13 4.663 19.842 -11.900 80 QA GLY 13 QA GLY 13 4.774 19.132 -11.385 81 H SER 14 H SER 14 6.427 18.416 -9.345 82 HA SER 14 HA SER 14 8.747 19.888 -9.348 83 1HB SER 14 2HB SER 14 7.210 21.859 -9.020 84 2HB SER 14 1HB SER 14 6.725 21.157 -7.483 85 HG SER 14 HG SER 14 8.531 22.781 -7.599 86 QB SER 14 QB SER 14 6.968 21.508 -8.251 87 H ASP 15 H ASP 15 6.467 19.375 -6.542 88 HA ASP 15 HA ASP 15 8.557 17.813 -5.420 89 1HB ASP 15 2HB ASP 15 7.579 18.654 -3.340 90 2HB ASP 15 1HB ASP 15 8.513 19.869 -4.193 91 QB ASP 15 QB ASP 15 8.046 19.261 -3.766 92 H LEU 16 H LEU 16 6.906 16.549 -6.865 93 HA LEU 16 HA LEU 16 5.555 15.005 -4.813 94 1HB LEU 16 2HB LEU 16 4.949 15.014 -7.725 95 2HB LEU 16 1HB LEU 16 4.089 14.121 -6.480 96 HG LEU 16 HG LEU 16 2.676 15.709 -7.005 97 1HD1 LEU 16 2HD1 LEU 16 4.114 16.984 -4.753 98 2HD1 LEU 16 1HD1 LEU 16 2.505 17.457 -5.305 99 3HD1 LEU 16 3HD1 LEU 16 2.790 15.824 -4.696 100 1HD2 LEU 16 3HD2 LEU 16 4.900 17.630 -7.474 101 2HD2 LEU 16 2HD2 LEU 16 3.767 16.827 -8.589 102 3HD2 LEU 16 1HD2 LEU 16 3.168 18.080 -7.504 103 MD1 LEU 16 QD1 LEU 16 3.136 16.755 -4.918 104 MD2 LEU 16 QD2 LEU 16 3.945 17.512 -7.855 105 QB LEU 16 QB LEU 16 4.519 14.568 -7.103 106 QD LEU 16 QQD LEU 16 3.541 17.134 -6.387 107 H VAL 17 H VAL 17 5.735 12.901 -4.860 108 HA VAL 17 HA VAL 17 7.687 11.821 -6.475 109 HB VAL 17 HB VAL 17 7.971 12.121 -3.489 110 1HG1 VAL 17 1HG1 VAL 17 9.216 10.186 -5.275 111 2HG1 VAL 17 3HG1 VAL 17 9.907 10.547 -3.662 112 3HG1 VAL 17 2HG1 VAL 17 8.230 9.912 -3.790 113 1HG2 VAL 17 2HG2 VAL 17 9.098 13.815 -4.922 114 2HG2 VAL 17 1HG2 VAL 17 10.238 12.857 -3.970 115 3HG2 VAL 17 3HG2 VAL 17 10.008 12.513 -5.673 116 MG1 VAL 17 QG1 VAL 17 9.118 10.215 -4.242 117 MG2 VAL 17 QG2 VAL 17 9.781 13.062 -4.855 118 QG VAL 17 QQG VAL 17 9.450 11.638 -4.549 119 H SER 18 H SER 18 7.388 9.455 -6.319 120 HA SER 18 HA SER 18 5.128 8.585 -4.690 121 1HB SER 18 2HB SER 18 4.444 7.030 -6.473 122 2HB SER 18 1HB SER 18 4.366 8.705 -7.017 123 HG SER 18 HG SER 18 5.381 7.656 -8.623 124 QB SER 18 QB SER 18 4.405 7.867 -6.745 125 H CYS 19 H CYS 19 5.577 6.856 -3.461 126 HA CYS 19 HA CYS 19 8.073 5.454 -4.018 127 1HB CYS 19 2HB CYS 19 7.955 4.641 -1.711 128 2HB CYS 19 1HB CYS 19 7.698 6.371 -1.722 129 HG CYS 19 HG CYS 19 4.997 4.447 -1.874 130 QB CYS 19 QB CYS 19 7.826 5.506 -1.716 131 H CYS 20 H CYS 20 7.921 3.526 -5.021 132 HA CYS 20 HA CYS 20 5.236 2.351 -5.242 133 1HB CYS 20 2HB CYS 20 7.649 2.073 -7.060 134 2HB CYS 20 1HB CYS 20 6.051 1.393 -7.344 135 HG CYS 20 HG CYS 20 6.748 4.744 -7.243 136 QB CYS 20 QB CYS 20 6.850 1.733 -7.202 137 H TYR 21 H TYR 21 5.136 0.619 -3.805 138 HA TYR 21 HA TYR 21 7.692 -0.763 -3.489 139 1HB TYR 21 2HB TYR 21 7.583 -0.812 -1.243 140 2HB TYR 21 1HB TYR 21 7.074 0.805 -1.638 141 HD1 TYR 21 1HD TYR 21 5.673 -2.539 -0.598 142 HD2 TYR 21 2HD TYR 21 5.256 1.727 -0.537 143 HE1 TYR 21 1HE TYR 21 3.856 -2.712 1.060 144 HE2 TYR 21 2HE TYR 21 3.509 1.546 1.064 145 HH TYR 21 HH TYR 21 1.836 -0.159 1.883 146 QB TYR 21 QB TYR 21 7.329 -0.004 -1.440 147 QD TYR 21 QD TYR 21 5.464 -0.406 -0.567 148 QE TYR 21 QE TYR 21 3.682 -0.583 1.062 149 QR TYR 21 QR TYR 21 4.573 -0.495 0.247 150 H ARG 22 H ARG 22 7.506 -2.865 -2.707 151 HA ARG 22 HA ARG 22 4.893 -4.164 -3.130 152 1HB ARG 22 2HB ARG 22 5.975 -6.121 -3.906 153 2HB ARG 22 1HB ARG 22 6.652 -4.778 -4.809 154 1HG ARG 22 2HG ARG 22 8.682 -4.859 -3.661 155 2HG ARG 22 1HG ARG 22 7.998 -5.831 -2.352 156 1HD ARG 22 2HD ARG 22 7.619 -7.606 -3.915 157 2HD ARG 22 1HD ARG 22 8.441 -6.672 -5.178 158 HE ARG 22 HE ARG 22 9.916 -7.167 -2.703 159 1HH1 ARG 22 1HH1 ARG 22 9.295 -8.435 -5.941 160 2HH1 ARG 22 2HH1 ARG 22 10.858 -9.088 -6.141 161 1HH2 ARG 22 1HH2 ARG 22 12.043 -8.031 -2.969 162 2HH2 ARG 22 2HH2 ARG 22 12.465 -8.842 -4.406 163 QB ARG 22 QB ARG 22 6.313 -5.450 -4.358 164 QG ARG 22 QG ARG 22 8.340 -5.345 -3.007 165 QD ARG 22 QD ARG 22 8.030 -7.139 -4.547 166 QH1 ARG 22 QH1 ARG 22 10.077 -8.762 -6.041 167 QH2 ARG 22 QH2 ARG 22 12.254 -8.437 -3.687 168 H SER 23 H SER 23 4.606 -6.055 -1.804 169 HA SER 23 HA SER 23 6.584 -6.534 0.177 170 1HB SER 23 2HB SER 23 3.748 -5.869 1.016 171 2HB SER 23 1HB SER 23 4.988 -6.535 2.075 172 HG SER 23 HG SER 23 5.735 -4.303 0.691 173 QB SER 23 QB SER 23 4.368 -6.202 1.546 174 H LEU 24 H LEU 24 6.134 -8.604 1.213 175 HA LEU 24 HA LEU 24 4.260 -10.189 -0.407 176 1HB LEU 24 2HB LEU 24 6.848 -11.012 0.923 177 2HB LEU 24 1HB LEU 24 5.675 -12.191 0.383 178 HG LEU 24 HG LEU 24 7.487 -12.048 -1.189 179 1HD1 LEU 24 3HD1 LEU 24 5.322 -12.506 -2.108 180 2HD1 LEU 24 2HD1 LEU 24 5.032 -10.777 -2.335 181 3HD1 LEU 24 1HD1 LEU 24 6.305 -11.583 -3.244 182 1HD2 LEU 24 1HD2 LEU 24 6.823 -9.122 -1.481 183 2HD2 LEU 24 3HD2 LEU 24 8.291 -9.774 -0.755 184 3HD2 LEU 24 2HD2 LEU 24 7.964 -9.999 -2.480 185 MD1 LEU 24 QD1 LEU 24 5.553 -11.622 -2.562 186 MD2 LEU 24 QD2 LEU 24 7.693 -9.632 -1.572 187 QB LEU 24 QB LEU 24 6.261 -11.602 0.653 188 QD LEU 24 QQD LEU 24 6.623 -10.627 -2.067 189 H ALA 25 H ALA 25 2.610 -9.409 0.963 190 HA ALA 25 HA ALA 25 2.248 -8.999 3.542 191 1HB ALA 25 3HB ALA 25 0.334 -10.691 1.962 192 2HB ALA 25 1HB ALA 25 0.465 -8.936 1.869 193 3HB ALA 25 2HB ALA 25 -0.048 -9.698 3.368 194 MB ALA 25 QB ALA 25 0.250 -9.775 2.400 195 H ALA 26 H ALA 26 2.454 -9.996 5.606 196 HA ALA 26 HA ALA 26 3.713 -12.355 5.645 197 1HB ALA 26 1HB ALA 26 3.907 -10.673 7.264 198 2HB ALA 26 3HB ALA 26 2.220 -10.826 7.735 199 3HB ALA 26 2HB ALA 26 3.354 -12.160 8.075 200 MB ALA 26 QB ALA 26 3.160 -11.220 7.692 201 HA PRO 27 HA PRO 27 0.456 -15.385 5.173 202 1HB PRO 27 2HB PRO 27 1.829 -17.444 6.310 203 2HB PRO 27 1HB PRO 27 2.150 -16.838 4.674 204 1HG PRO 27 2HG PRO 27 3.428 -15.878 7.231 205 2HG PRO 27 1HG PRO 27 4.297 -16.617 5.819 206 1HD PRO 27 2HD PRO 27 4.224 -14.112 6.160 207 2HD PRO 27 1HD PRO 27 3.670 -14.700 4.566 208 QB PRO 27 QB PRO 27 1.989 -17.141 5.492 209 QG PRO 27 QG PRO 27 3.862 -16.248 6.525 210 QD PRO 27 QD PRO 27 3.947 -14.406 5.363 211 H ASP 28 H ASP 28 1.446 -14.087 7.947 212 HA ASP 28 HA ASP 28 -0.360 -15.727 9.585 213 1HB ASP 28 2HB ASP 28 0.864 -15.033 11.597 214 2HB ASP 28 1HB ASP 28 1.958 -15.774 10.437 215 QB ASP 28 QB ASP 28 1.411 -15.404 11.017 216 H LEU 29 H LEU 29 -0.805 -13.397 7.804 217 HA LEU 29 HA LEU 29 -1.563 -11.277 9.512 218 1HB LEU 29 2HB LEU 29 -1.915 -11.733 6.613 219 2HB LEU 29 1HB LEU 29 -2.700 -10.383 7.426 220 HG LEU 29 HG LEU 29 0.242 -10.934 7.284 221 1HD1 LEU 29 3HD1 LEU 29 -0.862 -10.222 5.208 222 2HD1 LEU 29 2HD1 LEU 29 -1.391 -8.753 6.050 223 3HD1 LEU 29 1HD1 LEU 29 0.354 -9.086 5.813 224 1HD2 LEU 29 3HD2 LEU 29 -1.303 -8.681 8.558 225 2HD2 LEU 29 2HD2 LEU 29 -0.266 -9.862 9.368 226 3HD2 LEU 29 1HD2 LEU 29 0.430 -8.700 8.250 227 MD1 LEU 29 QD1 LEU 29 -0.633 -9.354 5.690 228 MD2 LEU 29 QD2 LEU 29 -0.379 -9.081 8.726 229 QB LEU 29 QB LEU 29 -2.308 -11.058 7.019 230 QD LEU 29 QQD LEU 29 -0.506 -9.217 7.208 231 H THR 30 H THR 30 -3.286 -10.511 10.105 232 HA THR 30 HA THR 30 -5.689 -12.094 10.186 233 HB THR 30 HB THR 30 -5.870 -9.927 11.623 234 HG1 THR 30 1HG THR 30 -3.849 -9.315 12.147 235 1HG2 THR 30 2HG2 THR 30 -4.864 -12.629 12.297 236 2HG2 THR 30 1HG2 THR 30 -5.460 -11.482 13.526 237 3HG2 THR 30 3HG2 THR 30 -6.551 -12.060 12.248 238 MG THR 30 QG2 THR 30 -5.625 -12.057 12.690 239 H LEU 31 H LEU 31 -7.518 -11.333 9.411 240 HA LEU 31 HA LEU 31 -7.807 -9.364 7.377 241 1HB LEU 31 2HB LEU 31 -9.380 -11.222 8.040 242 2HB LEU 31 1HB LEU 31 -9.634 -10.162 9.446 243 HG LEU 31 HG LEU 31 -10.697 -8.488 8.122 244 1HD1 LEU 31 2HD1 LEU 31 -9.416 -8.710 6.093 245 2HD1 LEU 31 1HD1 LEU 31 -10.238 -10.238 5.708 246 3HD1 LEU 31 3HD1 LEU 31 -11.145 -8.715 5.794 247 1HD2 LEU 31 2HD2 LEU 31 -12.102 -10.267 8.954 248 2HD2 LEU 31 1HD2 LEU 31 -12.694 -9.674 7.402 249 3HD2 LEU 31 3HD2 LEU 31 -11.820 -11.207 7.487 250 MD1 LEU 31 QD1 LEU 31 -10.266 -9.221 5.865 251 MD2 LEU 31 QD2 LEU 31 -12.205 -10.383 7.948 252 QB LEU 31 QB LEU 31 -9.507 -10.692 8.743 253 QD LEU 31 QQD LEU 31 -11.236 -9.802 6.906 254 H ARG 32 H ARG 32 -8.290 -9.095 10.880 255 HA ARG 32 HA ARG 32 -9.257 -6.495 10.734 256 1HB ARG 32 2HB ARG 32 -9.448 -7.649 12.834 257 2HB ARG 32 1HB ARG 32 -7.699 -7.810 12.968 258 1HG ARG 32 2HG ARG 32 -8.434 -6.041 14.449 259 2HG ARG 32 1HG ARG 32 -7.533 -5.358 13.086 260 1HD ARG 32 2HD ARG 32 -9.823 -4.983 11.987 261 2HD ARG 32 1HD ARG 32 -10.492 -5.246 13.593 262 HE ARG 32 HE ARG 32 -8.380 -3.264 13.139 263 1HH1 ARG 32 1HH1 ARG 32 -11.618 -3.971 14.383 264 2HH1 ARG 32 2HH1 ARG 32 -11.882 -2.411 14.994 265 1HH2 ARG 32 1HH2 ARG 32 -8.706 -1.213 13.898 266 2HH2 ARG 32 2HH2 ARG 32 -10.136 -0.711 14.710 267 QB ARG 32 QB ARG 32 -8.574 -7.730 12.901 268 QG ARG 32 QG ARG 32 -7.983 -5.700 13.767 269 QD ARG 32 QD ARG 32 -10.157 -5.115 12.790 270 QH1 ARG 32 QH1 ARG 32 -11.750 -3.191 14.689 271 QH2 ARG 32 QH2 ARG 32 -9.421 -0.962 14.304 272 H ASP 33 H ASP 33 -6.008 -7.695 10.578 273 HA ASP 33 HA ASP 33 -4.665 -5.238 10.854 274 1HB ASP 33 2HB ASP 33 -3.929 -7.860 9.607 275 2HB ASP 33 1HB ASP 33 -2.860 -6.479 9.459 276 QB ASP 33 QB ASP 33 -3.394 -7.169 9.533 277 H LEU 34 H LEU 34 -6.192 -6.810 8.059 278 HA LEU 34 HA LEU 34 -5.047 -4.802 6.265 279 1HB LEU 34 2HB LEU 34 -7.365 -6.699 5.785 280 2HB LEU 34 1HB LEU 34 -6.743 -5.595 4.585 281 HG LEU 34 HG LEU 34 -5.956 -7.796 4.092 282 1HD1 LEU 34 1HD1 LEU 34 -3.761 -6.126 5.277 283 2HD1 LEU 34 3HD1 LEU 34 -3.517 -7.512 4.236 284 3HD1 LEU 34 2HD1 LEU 34 -4.347 -6.080 3.609 285 1HD2 LEU 34 3HD2 LEU 34 -6.252 -8.561 6.408 286 2HD2 LEU 34 2HD2 LEU 34 -4.764 -9.180 5.625 287 3HD2 LEU 34 1HD2 LEU 34 -4.709 -7.816 6.784 288 MD1 LEU 34 QD1 LEU 34 -3.875 -6.573 4.374 289 MD2 LEU 34 QD2 LEU 34 -5.242 -8.519 6.272 290 QB LEU 34 QB LEU 34 -7.054 -6.147 5.185 291 QD LEU 34 QQD LEU 34 -4.558 -7.546 5.323 292 H LEU 35 H LEU 35 -7.900 -5.357 7.980 293 HA LEU 35 HA LEU 35 -9.371 -3.146 6.989 294 1HB LEU 35 2HB LEU 35 -9.671 -4.927 9.384 295 2HB LEU 35 1HB LEU 35 -10.738 -3.557 9.166 296 HG LEU 35 HG LEU 35 -11.562 -5.885 8.387 297 1HD1 LEU 35 3HD1 LEU 35 -12.667 -3.744 7.788 298 2HD1 LEU 35 2HD1 LEU 35 -11.552 -3.575 6.428 299 3HD1 LEU 35 1HD1 LEU 35 -12.723 -4.894 6.448 300 1HD2 LEU 35 2HD2 LEU 35 -9.456 -6.439 7.178 301 2HD2 LEU 35 1HD2 LEU 35 -10.896 -6.570 6.120 302 3HD2 LEU 35 3HD2 LEU 35 -9.804 -5.180 6.054 303 MD1 LEU 35 QD1 LEU 35 -12.314 -4.071 6.888 304 MD2 LEU 35 QD2 LEU 35 -10.052 -6.063 6.451 305 QB LEU 35 QB LEU 35 -10.204 -4.242 9.275 306 QD LEU 35 QQD LEU 35 -11.183 -5.067 6.669 307 H ASP 36 H ASP 36 -7.072 -3.460 9.434 308 HA ASP 36 HA ASP 36 -7.419 -0.719 10.384 309 1HB ASP 36 2HB ASP 36 -5.165 -2.684 10.869 310 2HB ASP 36 1HB ASP 36 -5.081 -1.012 11.412 311 QB ASP 36 QB ASP 36 -5.123 -1.848 11.141 312 H ILE 37 H ILE 37 -5.031 -2.350 8.394 313 HA ILE 37 HA ILE 37 -3.430 -0.322 7.598 314 HB ILE 37 HB ILE 37 -4.457 -2.713 6.087 315 1HG1 ILE 37 2HG1 ILE 37 -1.631 -2.110 6.881 316 2HG1 ILE 37 1HG1 ILE 37 -2.730 -2.819 8.043 317 1HG2 ILE 37 2HG2 ILE 37 -2.452 -0.738 5.028 318 2HG2 ILE 37 1HG2 ILE 37 -2.768 -2.332 4.334 319 3HG2 ILE 37 3HG2 ILE 37 -4.038 -1.103 4.349 320 1HD1 ILE 37 1HD1 ILE 37 -1.983 -3.974 5.363 321 2HD1 ILE 37 3HD1 ILE 37 -1.336 -4.499 6.922 322 3HD1 ILE 37 2HD1 ILE 37 -3.048 -4.731 6.549 323 MG ILE 37 QG2 ILE 37 -3.086 -1.391 4.570 324 MD ILE 37 QD1 ILE 37 -2.122 -4.401 6.278 325 QG ILE 37 QG1 ILE 37 -2.181 -2.464 7.462 326 H VAL 38 H VAL 38 -6.410 -1.266 5.917 327 HA VAL 38 HA VAL 38 -6.438 0.726 3.996 328 HB VAL 38 HB VAL 38 -7.984 -1.184 3.848 329 1HG1 VAL 38 1HG1 VAL 38 -8.495 -1.505 6.107 330 2HG1 VAL 38 3HG1 VAL 38 -9.481 -0.040 6.156 331 3HG1 VAL 38 2HG1 VAL 38 -9.967 -1.407 5.139 332 1HG2 VAL 38 1HG2 VAL 38 -9.425 1.465 3.896 333 2HG2 VAL 38 3HG2 VAL 38 -8.730 0.643 2.488 334 3HG2 VAL 38 2HG2 VAL 38 -10.133 -0.022 3.307 335 MG1 VAL 38 QG1 VAL 38 -9.314 -0.984 5.801 336 MG2 VAL 38 QG2 VAL 38 -9.429 0.695 3.230 337 QG VAL 38 QQG VAL 38 -9.372 -0.144 4.516 338 H GLU 39 H GLU 39 -7.799 0.899 7.245 339 HA GLU 39 HA GLU 39 -8.926 3.465 6.890 340 1HB GLU 39 2HB GLU 39 -8.378 1.810 9.329 341 2HB GLU 39 1HB GLU 39 -9.226 3.342 9.414 342 1HG GLU 39 2HG GLU 39 -10.094 0.864 7.923 343 2HG GLU 39 1HG GLU 39 -10.802 1.513 9.396 344 QB GLU 39 QB GLU 39 -8.802 2.576 9.371 345 QG GLU 39 QG GLU 39 -10.448 1.188 8.660 346 H THR 40 H THR 40 -5.949 2.322 8.473 347 HA THR 40 HA THR 40 -5.037 4.769 9.425 348 HB THR 40 HB THR 40 -3.395 2.407 8.436 349 HG1 THR 40 1HG THR 40 -3.570 1.699 10.611 350 1HG2 THR 40 2HG2 THR 40 -2.761 4.584 10.447 351 2HG2 THR 40 1HG2 THR 40 -1.733 3.192 10.103 352 3HG2 THR 40 3HG2 THR 40 -2.034 4.399 8.852 353 MG THR 40 QG2 THR 40 -2.176 4.058 9.801 354 H SER 41 H SER 41 -4.691 3.249 6.252 355 HA SER 41 HA SER 41 -2.791 4.997 5.191 356 1HB SER 41 2HB SER 41 -4.895 3.393 3.763 357 2HB SER 41 1HB SER 41 -3.450 4.102 3.030 358 HG SER 41 HG SER 41 -3.673 1.967 4.833 359 QB SER 41 QB SER 41 -4.173 3.747 3.396 360 H GLN 42 H GLN 42 -6.333 5.001 4.741 361 HA GLN 42 HA GLN 42 -6.563 7.281 3.144 362 1HB GLN 42 2HB GLN 42 -8.398 6.326 5.307 363 2HB GLN 42 1HB GLN 42 -8.805 7.554 4.132 364 1HG GLN 42 2HG GLN 42 -8.984 6.100 2.418 365 2HG GLN 42 1HG GLN 42 -7.788 5.013 3.130 366 1HE2 GLN 42 1HE2 GLN 42 -9.093 4.936 5.728 367 2HE2 GLN 42 2HE2 GLN 42 -10.411 3.867 5.464 368 QB GLN 42 QB GLN 42 -8.601 6.940 4.720 369 QG GLN 42 QG GLN 42 -8.386 5.557 2.774 370 QE GLN 42 QE2 GLN 42 -9.752 4.401 5.596 371 H ALA 43 H ALA 43 -6.637 7.019 6.634 372 HA ALA 43 HA ALA 43 -7.195 9.683 7.141 373 1HB ALA 43 3HB ALA 43 -6.733 9.170 9.429 374 2HB ALA 43 1HB ALA 43 -5.703 7.801 8.948 375 3HB ALA 43 2HB ALA 43 -7.428 7.735 8.638 376 MB ALA 43 QB ALA 43 -6.621 8.235 9.005 377 H HIS 44 H HIS 44 -4.008 8.148 6.836 378 HA HIS 44 HA HIS 44 -2.773 10.743 7.343 379 1HB HIS 44 2HB HIS 44 -1.493 8.689 7.995 380 2HB HIS 44 1HB HIS 44 -1.537 8.256 6.277 381 HD1 HIS 44 1HD HIS 44 0.407 8.924 4.868 382 HD2 HIS 44 2HD HIS 44 0.119 11.279 8.299 383 HE1 HIS 44 1HE HIS 44 2.447 10.396 4.877 384 HE2 HIS 44 2HE HIS 44 2.336 11.663 7.053 385 QB HIS 44 QB HIS 44 -1.515 8.473 7.136 386 H ASN 45 H ASN 45 -3.410 8.702 4.556 387 HA ASN 45 HA ASN 45 -1.798 10.353 2.944 388 1HB ASN 45 2HB ASN 45 -3.740 8.189 2.122 389 2HB ASN 45 1HB ASN 45 -2.645 9.013 1.015 390 1HD2 ASN 45 1HD2 ASN 45 -2.671 6.206 1.577 391 2HD2 ASN 45 2HD2 ASN 45 -1.151 5.805 2.285 392 QB ASN 45 QB ASN 45 -3.192 8.601 1.569 393 QD ASN 45 QD2 ASN 45 -1.911 6.005 1.931 394 H ALA 46 H ALA 46 -5.237 10.241 3.540 395 HA ALA 46 HA ALA 46 -5.918 12.159 1.553 396 1HB ALA 46 1HB ALA 46 -7.987 12.473 2.867 397 2HB ALA 46 2HB ALA 46 -7.263 11.540 4.183 398 3HB ALA 46 3HB ALA 46 -7.622 10.758 2.642 399 MB ALA 46 QB ALA 46 -7.624 11.590 3.231 400 H ARG 47 H ARG 47 -4.773 12.311 4.848 401 HA ARG 47 HA ARG 47 -5.209 15.092 5.187 402 1HB ARG 47 2HB ARG 47 -4.874 13.142 6.914 403 2HB ARG 47 1HB ARG 47 -3.171 13.498 6.634 404 1HG ARG 47 2HG ARG 47 -5.149 15.519 7.701 405 2HG ARG 47 1HG ARG 47 -4.116 14.524 8.716 406 1HD ARG 47 2HD ARG 47 -2.147 15.532 7.547 407 2HD ARG 47 1HD ARG 47 -3.265 16.623 6.724 408 HE ARG 47 HE ARG 47 -3.200 16.486 9.641 409 1HH1 ARG 47 1HH1 ARG 47 -2.810 18.462 6.677 410 2HH1 ARG 47 2HH1 ARG 47 -2.602 19.902 7.536 411 1HH2 ARG 47 1HH2 ARG 47 -2.898 18.514 10.779 412 2HH2 ARG 47 2HH2 ARG 47 -2.655 19.946 9.899 413 QB ARG 47 QB ARG 47 -4.022 13.320 6.774 414 QG ARG 47 QG ARG 47 -4.633 15.022 8.208 415 QD ARG 47 QD ARG 47 -2.706 16.078 7.136 416 QH1 ARG 47 QH1 ARG 47 -2.706 19.182 7.107 417 QH2 ARG 47 QH2 ARG 47 -2.776 19.230 10.339 418 H ALA 48 H ALA 48 -2.335 13.087 4.514 419 HA ALA 48 HA ALA 48 -0.747 15.423 4.316 420 1HB ALA 48 3HB ALA 48 0.188 13.420 5.275 421 2HB ALA 48 1HB ALA 48 1.119 13.937 3.869 422 3HB ALA 48 2HB ALA 48 0.002 12.564 3.748 423 MB ALA 48 QB ALA 48 0.437 13.307 4.297 424 H GLN 49 H GLN 49 -2.863 14.078 2.207 425 HA GLN 49 HA GLN 49 -3.472 14.574 0.098 426 1HB GLN 49 2HB GLN 49 -1.090 16.396 0.181 427 2HB GLN 49 1HB GLN 49 -2.251 16.374 -1.173 428 1HG GLN 49 2HG GLN 49 -3.625 17.632 0.026 429 2HG GLN 49 1HG GLN 49 -3.367 16.478 1.373 430 1HE2 GLN 49 1HE2 GLN 49 -2.122 17.007 3.025 431 2HE2 GLN 49 2HE2 GLN 49 -1.165 18.433 3.153 432 QB GLN 49 QB GLN 49 -1.670 16.385 -0.496 433 QG GLN 49 QG GLN 49 -3.496 17.055 0.700 434 QE GLN 49 QE2 GLN 49 -1.644 17.720 3.089 435 H LEU 50 H LEU 50 -2.117 12.434 0.675 436 HA LEU 50 HA LEU 50 -0.444 11.764 -1.614 437 1HB LEU 50 2HB LEU 50 -0.949 10.539 1.050 438 2HB LEU 50 1HB LEU 50 -0.408 9.512 -0.262 439 HG LEU 50 HG LEU 50 1.561 10.820 -0.510 440 1HD1 LEU 50 2HD1 LEU 50 0.772 12.989 0.132 441 2HD1 LEU 50 1HD1 LEU 50 0.615 12.462 1.807 442 3HD1 LEU 50 3HD1 LEU 50 2.209 12.559 1.057 443 1HD2 LEU 50 2HD2 LEU 50 1.504 8.950 1.123 444 2HD2 LEU 50 1HD2 LEU 50 2.728 10.196 1.467 445 3HD2 LEU 50 3HD2 LEU 50 1.228 10.146 2.385 446 MD1 LEU 50 QD1 LEU 50 1.199 12.670 0.998 447 MD2 LEU 50 QD2 LEU 50 1.820 9.764 1.658 448 QB LEU 50 QB LEU 50 -0.679 10.025 0.394 449 QD LEU 50 QQD LEU 50 1.509 11.217 1.328 450 H THR 51 H THR 51 -1.251 10.727 -3.292 451 HA THR 51 HA THR 51 -3.873 9.489 -3.029 452 HB THR 51 HB THR 51 -4.179 10.097 -5.427 453 HG1 THR 51 1HG THR 51 -2.161 10.308 -6.340 454 1HG2 THR 51 1HG2 THR 51 -4.792 11.556 -3.594 455 2HG2 THR 51 3HG2 THR 51 -3.193 12.315 -3.673 456 3HG2 THR 51 2HG2 THR 51 -4.317 12.483 -5.045 457 MG THR 51 QG2 THR 51 -4.101 12.118 -4.104 458 H GLY 52 H GLY 52 -4.200 7.441 -4.339 459 1HA GLY 52 1HA GLY 52 -2.381 5.705 -3.215 460 2HA GLY 52 2HA GLY 52 -1.843 5.947 -4.874 461 QA GLY 52 QA GLY 52 -2.112 5.826 -4.045 462 H ALA 53 H ALA 53 -2.131 3.676 -4.502 463 HA ALA 53 HA ALA 53 -4.742 2.604 -4.461 464 1HB ALA 53 3HB ALA 53 -4.756 3.182 -6.824 465 2HB ALA 53 1HB ALA 53 -4.658 1.434 -6.657 466 3HB ALA 53 2HB ALA 53 -3.216 2.377 -7.075 467 MB ALA 53 QB ALA 53 -4.210 2.331 -6.852 468 H LEU 54 H LEU 54 -4.740 0.470 -3.979 469 HA LEU 54 HA LEU 54 -2.098 -0.669 -3.335 470 1HB LEU 54 2HB LEU 54 -3.277 0.112 -1.319 471 2HB LEU 54 1HB LEU 54 -4.689 -0.789 -1.773 472 HG LEU 54 HG LEU 54 -3.397 -1.713 0.164 473 1HD1 LEU 54 2HD1 LEU 54 -4.916 -3.203 -1.026 474 2HD1 LEU 54 1HD1 LEU 54 -3.625 -3.615 -2.148 475 3HD1 LEU 54 3HD1 LEU 54 -3.483 -4.049 -0.446 476 1HD2 LEU 54 2HD2 LEU 54 -1.368 -2.359 -1.940 477 2HD2 LEU 54 1HD2 LEU 54 -1.228 -1.237 -0.575 478 3HD2 LEU 54 3HD2 LEU 54 -1.365 -2.967 -0.278 479 MD1 LEU 54 QD1 LEU 54 -4.008 -3.622 -1.207 480 MD2 LEU 54 QD2 LEU 54 -1.320 -2.188 -0.931 481 QB LEU 54 QB LEU 54 -3.983 -0.339 -1.546 482 QD LEU 54 QQD LEU 54 -2.664 -2.905 -1.069 483 H PHE 55 H PHE 55 -1.754 -2.510 -4.377 484 HA PHE 55 HA PHE 55 -4.065 -4.096 -5.204 485 1HB PHE 55 2HB PHE 55 -1.349 -3.779 -6.491 486 2HB PHE 55 1HB PHE 55 -2.465 -5.071 -6.920 487 HD1 PHE 55 1HD PHE 55 -4.417 -4.632 -8.235 488 HD2 PHE 55 2HD PHE 55 -1.843 -1.444 -7.072 489 HE1 PHE 55 1HE PHE 55 -5.504 -3.159 -9.880 490 HE2 PHE 55 2HE PHE 55 -2.936 0.033 -8.718 491 HZ PHE 55 HZ PHE 55 -4.764 -0.824 -10.117 492 QB PHE 55 QB PHE 55 -1.907 -4.425 -6.706 493 QD PHE 55 QD PHE 55 -3.130 -3.038 -7.654 494 QE PHE 55 QE PHE 55 -4.220 -1.563 -9.299 495 QR PHE 55 QR PHE 55 -3.893 -2.005 -8.805 496 H TYR 56 H TYR 56 -4.324 -5.623 -3.776 497 HA TYR 56 HA TYR 56 -1.995 -7.220 -2.995 498 1HB TYR 56 2HB TYR 56 -2.952 -5.960 -1.034 499 2HB TYR 56 1HB TYR 56 -4.521 -6.643 -1.385 500 HD1 TYR 56 1HD TYR 56 -3.211 -9.568 -1.883 501 HD2 TYR 56 2HD TYR 56 -3.053 -6.716 1.271 502 HE1 TYR 56 1HE TYR 56 -2.826 -11.378 -0.291 503 HE2 TYR 56 2HE TYR 56 -2.635 -8.559 2.878 504 HH TYR 56 HH TYR 56 -3.187 -11.025 2.975 505 QB TYR 56 QB TYR 56 -3.736 -6.301 -1.210 506 QD TYR 56 QD TYR 56 -3.132 -8.142 -0.306 507 QE TYR 56 QE TYR 56 -2.731 -9.968 1.294 508 QR TYR 56 QR TYR 56 -2.931 -9.055 0.494 509 H SER 57 H SER 57 -2.243 -9.148 -4.024 510 HA SER 57 HA SER 57 -4.834 -10.364 -4.012 511 1HB SER 57 2HB SER 57 -4.672 -8.897 -6.122 512 2HB SER 57 1HB SER 57 -3.450 -10.042 -6.678 513 HG SER 57 HG SER 57 -4.940 -11.447 -7.083 514 QB SER 57 QB SER 57 -4.061 -9.470 -6.400 515 H GLN 58 H GLN 58 -4.292 -12.127 -3.059 516 HA GLN 58 HA GLN 58 -3.465 -14.129 -2.564 517 1HB GLN 58 2HB GLN 58 -3.999 -14.616 -4.942 518 2HB GLN 58 1HB GLN 58 -2.376 -14.135 -5.391 519 1HG GLN 58 2HG GLN 58 -2.482 -16.520 -5.342 520 2HG GLN 58 1HG GLN 58 -1.492 -15.978 -3.989 521 1HE2 GLN 58 1HE2 GLN 58 -4.464 -17.401 -4.957 522 2HE2 GLN 58 2HE2 GLN 58 -4.978 -17.946 -3.405 523 QB GLN 58 QB GLN 58 -3.188 -14.375 -5.166 524 QG GLN 58 QG GLN 58 -1.987 -16.249 -4.666 525 QE GLN 58 QE2 GLN 58 -4.721 -17.673 -4.181 526 H GLY 59 H GLY 59 -2.120 -12.970 -1.051 527 1HA GLY 59 1HA GLY 59 0.565 -13.958 -1.194 528 2HA GLY 59 2HA GLY 59 -0.174 -13.119 0.152 529 QA GLY 59 QA GLY 59 0.196 -13.539 -0.521 530 H VAL 60 H VAL 60 0.293 -11.924 -3.157 531 HA VAL 60 HA VAL 60 2.521 -10.376 -2.227 532 HB VAL 60 HB VAL 60 2.895 -9.639 -4.508 533 1HG1 VAL 60 2HG1 VAL 60 3.785 -11.791 -3.880 534 2HG1 VAL 60 1HG1 VAL 60 2.295 -12.580 -4.380 535 3HG1 VAL 60 3HG1 VAL 60 3.318 -11.794 -5.578 536 1HG2 VAL 60 3HG2 VAL 60 0.324 -11.083 -5.215 537 2HG2 VAL 60 2HG2 VAL 60 0.603 -9.346 -5.295 538 3HG2 VAL 60 1HG2 VAL 60 1.477 -10.426 -6.379 539 MG1 VAL 60 QG1 VAL 60 3.133 -12.055 -4.613 540 MG2 VAL 60 QG2 VAL 60 0.801 -10.285 -5.630 541 QG VAL 60 QQG VAL 60 1.967 -11.170 -5.121 542 H PHE 61 H PHE 61 2.561 -8.432 -1.522 543 HA PHE 61 HA PHE 61 0.244 -6.639 -1.740 544 1HB PHE 61 2HB PHE 61 2.495 -7.060 -0.023 545 2HB PHE 61 1HB PHE 61 2.447 -5.401 -0.579 546 HD1 PHE 61 1HD PHE 61 1.954 -7.151 2.080 547 HD2 PHE 61 2HD PHE 61 -0.371 -4.758 -0.527 548 HE1 PHE 61 1HE PHE 61 0.510 -6.630 3.935 549 HE2 PHE 61 2HE PHE 61 -1.895 -4.193 1.366 550 HZ PHE 61 HZ PHE 61 -1.417 -5.102 3.591 551 QB PHE 61 QB PHE 61 2.471 -6.231 -0.301 552 QD PHE 61 QD PHE 61 0.791 -5.955 0.776 553 QE PHE 61 QE PHE 61 -0.692 -5.411 2.650 554 QR PHE 61 QR PHE 61 -0.244 -5.567 2.089 555 H PHE 62 H PHE 62 0.282 -4.884 -3.167 556 HA PHE 62 HA PHE 62 2.857 -3.734 -3.843 557 1HB PHE 62 2HB PHE 62 2.161 -4.962 -5.867 558 2HB PHE 62 1HB PHE 62 0.592 -4.153 -5.825 559 HD1 PHE 62 1HD PHE 62 4.223 -3.598 -6.290 560 HD2 PHE 62 2HD PHE 62 0.302 -2.021 -6.824 561 HE1 PHE 62 1HE PHE 62 5.142 -1.767 -7.659 562 HE2 PHE 62 2HE PHE 62 1.220 -0.192 -8.190 563 HZ PHE 62 HZ PHE 62 3.637 -0.063 -8.609 564 QB PHE 62 QB PHE 62 1.377 -4.558 -5.846 565 QD PHE 62 QD PHE 62 2.263 -2.809 -6.557 566 QE PHE 62 QE PHE 62 3.181 -0.979 -7.924 567 QR PHE 62 QR PHE 62 2.905 -1.528 -7.514 568 H GLN 63 H GLN 63 2.864 -1.672 -3.215 569 HA GLN 63 HA GLN 63 0.354 -0.157 -3.192 570 1HB GLN 63 2HB GLN 63 0.609 -1.071 -0.934 571 2HB GLN 63 1HB GLN 63 2.243 -0.486 -0.877 572 1HG GLN 63 2HG GLN 63 0.806 0.934 0.476 573 2HG GLN 63 1HG GLN 63 1.478 1.832 -0.878 574 1HE2 GLN 63 1HE2 GLN 63 0.080 2.697 -2.392 575 2HE2 GLN 63 2HE2 GLN 63 -1.623 2.607 -2.220 576 QB GLN 63 QB GLN 63 1.426 -0.778 -0.906 577 QG GLN 63 QG GLN 63 1.142 1.383 -0.201 578 QE GLN 63 QE2 GLN 63 -0.771 2.652 -2.306 579 H TRP 64 H TRP 64 0.731 1.797 -4.097 580 HA TRP 64 HA TRP 64 3.281 2.914 -3.442 581 1HB TRP 64 2HB TRP 64 3.906 3.495 -5.601 582 2HB TRP 64 1HB TRP 64 3.160 1.880 -5.816 583 HD1 TRP 64 HD TRP 64 3.430 5.209 -7.182 584 HE1 TRP 64 1HE TRP 64 1.636 5.667 -8.892 585 HE3 TRP 64 3HE TRP 64 0.351 1.318 -6.082 586 HZ2 TRP 64 2HZ TRP 64 -0.858 4.491 -9.712 587 HZ3 TRP 64 3HZ TRP 64 -1.734 1.080 -7.339 588 HH2 TRP 64 HH TRP 64 -2.304 2.624 -9.130 589 QB TRP 64 QB TRP 64 3.533 2.688 -5.709 590 H LEU 65 H LEU 65 3.195 5.361 -3.791 591 HA LEU 65 HA LEU 65 0.524 6.433 -3.857 592 1HB LEU 65 2HB LEU 65 0.911 7.603 -1.635 593 2HB LEU 65 1HB LEU 65 0.484 5.918 -1.570 594 HG LEU 65 HG LEU 65 3.116 5.656 -1.506 595 1HD1 LEU 65 1HD1 LEU 65 2.676 8.355 -0.309 596 2HD1 LEU 65 3HD1 LEU 65 4.089 7.343 -0.027 597 3HD1 LEU 65 2HD1 LEU 65 3.719 7.912 -1.662 598 1HD2 LEU 65 3HD2 LEU 65 1.572 4.722 0.098 599 2HD2 LEU 65 2HD2 LEU 65 2.968 5.408 0.894 600 3HD2 LEU 65 1HD2 LEU 65 1.420 6.284 0.911 601 MD1 LEU 65 QD1 LEU 65 3.494 7.870 -0.666 602 MD2 LEU 65 QD2 LEU 65 1.986 5.471 0.634 603 QB LEU 65 QB LEU 65 0.697 6.760 -1.602 604 QD LEU 65 QQD LEU 65 2.740 6.671 -0.016 605 H GLU 66 H GLU 66 0.399 8.489 -4.367 606 HA GLU 66 HA GLU 66 2.801 9.837 -5.372 607 1HB GLU 66 2HB GLU 66 -0.103 10.694 -5.559 608 2HB GLU 66 1HB GLU 66 1.255 11.220 -6.530 609 1HG GLU 66 2HG GLU 66 1.282 9.169 -7.736 610 2HG GLU 66 1HG GLU 66 0.059 8.465 -6.666 611 QB GLU 66 QB GLU 66 0.576 10.957 -6.044 612 QG GLU 66 QG GLU 66 0.670 8.817 -7.201 613 H GLY 67 H GLY 67 3.635 11.438 -4.000 614 1HA GLY 67 1HA GLY 67 2.628 12.130 -1.569 615 2HA GLY 67 2HA GLY 67 1.802 13.173 -2.734 616 QA GLY 67 QA GLY 67 2.215 12.652 -2.151 617 H HIS 68 H HIS 68 3.169 14.727 -1.211 618 HA HIS 68 HA HIS 68 5.510 15.614 -2.580 619 1HB HIS 68 2HB HIS 68 4.224 17.261 -1.372 620 2HB HIS 68 1HB HIS 68 4.280 16.366 0.107 621 HD1 HIS 68 1HD HIS 68 6.273 16.714 1.647 622 HD2 HIS 68 2HD HIS 68 6.328 18.586 -1.960 623 HE1 HIS 68 1HE HIS 68 8.269 18.139 1.830 624 HE2 HIS 68 2HE HIS 68 8.076 19.645 -0.206 625 QB HIS 68 QB HIS 68 4.252 16.813 -0.632 626 HA PRO 69 HA PRO 69 8.583 12.575 -1.500 627 1HB PRO 69 2HB PRO 69 10.468 14.493 -0.505 628 2HB PRO 69 1HB PRO 69 10.471 13.647 -2.051 629 1HG PRO 69 2HG PRO 69 9.452 16.343 -1.376 630 2HG PRO 69 1HG PRO 69 10.031 15.715 -2.930 631 1HD PRO 69 2HD PRO 69 7.457 16.187 -2.534 632 2HD PRO 69 1HD PRO 69 7.970 14.734 -3.427 633 QB PRO 69 QB PRO 69 10.470 14.070 -1.278 634 QG PRO 69 QG PRO 69 9.742 16.029 -2.153 635 QD PRO 69 QD PRO 69 7.713 15.461 -2.981 636 H ALA 70 H ALA 70 8.384 15.080 1.003 637 HA ALA 70 HA ALA 70 9.435 13.195 2.867 638 1HB ALA 70 1HB ALA 70 10.051 15.519 3.070 639 2HB ALA 70 2HB ALA 70 9.225 14.902 4.520 640 3HB ALA 70 3HB ALA 70 8.342 15.906 3.339 641 MB ALA 70 QB ALA 70 9.206 15.442 3.643 642 H ALA 71 H ALA 71 6.364 14.086 1.971 643 HA ALA 71 HA ALA 71 5.043 13.170 4.288 644 1HB ALA 71 2HB ALA 71 4.215 13.030 1.485 645 2HB ALA 71 1HB ALA 71 3.097 13.054 2.853 646 3HB ALA 71 3HB ALA 71 4.048 14.525 2.435 647 MB ALA 71 QB ALA 71 3.787 13.536 2.257 648 H VAL 72 H VAL 72 6.124 11.982 1.280 649 HA VAL 72 HA VAL 72 5.182 9.350 1.293 650 HB VAL 72 HB VAL 72 7.785 10.239 0.060 651 1HG1 VAL 72 3HG1 VAL 72 7.195 7.887 -0.040 652 2HG1 VAL 72 2HG1 VAL 72 5.663 8.415 -0.774 653 3HG1 VAL 72 1HG1 VAL 72 7.188 8.671 -1.653 654 1HG2 VAL 72 3HG2 VAL 72 5.027 10.701 -0.989 655 2HG2 VAL 72 2HG2 VAL 72 6.279 11.887 -0.470 656 3HG2 VAL 72 1HG2 VAL 72 6.548 10.879 -1.911 657 MG1 VAL 72 QG1 VAL 72 6.682 8.324 -0.822 658 MG2 VAL 72 QG2 VAL 72 5.951 11.156 -1.123 659 QG VAL 72 QQG VAL 72 6.316 9.740 -0.973 660 H ALA 73 H ALA 73 8.263 10.823 2.210 661 HA ALA 73 HA ALA 73 9.314 8.421 3.114 662 1HB ALA 73 2HB ALA 73 10.118 11.186 3.812 663 2HB ALA 73 1HB ALA 73 10.966 9.614 4.183 664 3HB ALA 73 3HB ALA 73 10.758 10.133 2.502 665 MB ALA 73 QB ALA 73 10.614 10.311 3.499 666 H GLU 74 H GLU 74 7.646 10.991 4.801 667 HA GLU 74 HA GLU 74 7.892 10.008 7.446 668 1HB GLU 74 2HB GLU 74 7.007 12.243 7.017 669 2HB GLU 74 1HB GLU 74 5.660 11.575 6.113 670 1HG GLU 74 2HG GLU 74 4.913 10.459 8.220 671 2HG GLU 74 1HG GLU 74 6.161 11.364 9.069 672 QB GLU 74 QB GLU 74 6.333 11.909 6.565 673 QG GLU 74 QG GLU 74 5.537 10.911 8.645 674 H VAL 75 H VAL 75 5.704 9.199 4.814 675 HA VAL 75 HA VAL 75 4.398 7.402 6.517 676 HB VAL 75 HB VAL 75 3.603 8.481 4.198 677 1HG1 VAL 75 1HG1 VAL 75 5.101 7.368 2.725 678 2HG1 VAL 75 3HG1 VAL 75 4.516 5.794 3.263 679 3HG1 VAL 75 2HG1 VAL 75 3.439 6.886 2.389 680 1HG2 VAL 75 2HG2 VAL 75 2.721 5.885 5.360 681 2HG2 VAL 75 1HG2 VAL 75 2.100 7.494 5.670 682 3HG2 VAL 75 3HG2 VAL 75 1.816 6.741 4.096 683 MG1 VAL 75 QG1 VAL 75 4.352 6.683 2.792 684 MG2 VAL 75 QG2 VAL 75 2.212 6.707 5.042 685 QG VAL 75 QQG VAL 75 3.282 6.695 3.917 686 H MET 76 H MET 76 7.079 7.079 4.070 687 HA MET 76 HA MET 76 7.519 4.408 4.235 688 1HB MET 76 2HB MET 76 9.608 6.566 4.258 689 2HB MET 76 1HB MET 76 9.942 4.930 3.829 690 1HG MET 76 2HG MET 76 7.995 6.587 2.350 691 2HG MET 76 1HG MET 76 9.707 6.616 1.922 692 1HE MET 76 1HE MET 76 6.437 4.798 2.178 693 2HE MET 76 3HE MET 76 6.590 3.341 1.181 694 3HE MET 76 2HE MET 76 7.362 3.378 2.762 695 QB MET 76 QB MET 76 9.775 5.748 4.043 696 QG MET 76 QG MET 76 8.851 6.602 2.136 697 ME MET 76 QE MET 76 6.797 3.839 2.040 698 H SER 77 H SER 77 8.886 6.859 6.430 699 HA SER 77 HA SER 77 10.350 5.111 8.017 700 1HB SER 77 2HB SER 77 10.207 6.974 9.720 701 2HB SER 77 1HB SER 77 10.672 7.496 8.097 702 HG SER 77 HG SER 77 9.221 8.826 8.400 703 QB SER 77 QB SER 77 10.439 7.235 8.908 704 H HIS 78 H HIS 78 7.035 6.054 8.306 705 HA HIS 78 HA HIS 78 6.724 4.466 10.709 706 1HB HIS 78 2HB HIS 78 4.670 5.943 9.067 707 2HB HIS 78 1HB HIS 78 4.252 4.981 10.486 708 HD1 HIS 78 1HD HIS 78 6.026 8.139 9.483 709 HD2 HIS 78 2HD HIS 78 4.887 6.145 12.944 710 HE1 HIS 78 1HE HIS 78 6.376 9.780 11.349 711 HE2 HIS 78 2HE HIS 78 6.082 8.390 13.402 712 QB HIS 78 QB HIS 78 4.461 5.462 9.777 713 H ILE 79 H ILE 79 6.217 3.866 7.327 714 HA ILE 79 HA ILE 79 4.682 1.445 7.907 715 HB ILE 79 HB ILE 79 5.612 2.289 5.134 716 1HG1 ILE 79 2HG1 ILE 79 3.011 2.986 6.498 717 2HG1 ILE 79 1HG1 ILE 79 4.360 4.058 6.086 718 1HG2 ILE 79 3HG2 ILE 79 4.798 0.014 5.495 719 2HG2 ILE 79 2HG2 ILE 79 3.278 0.674 6.085 720 3HG2 ILE 79 1HG2 ILE 79 3.758 0.945 4.411 721 1HD1 ILE 79 3HD1 ILE 79 2.840 2.481 4.032 722 2HD1 ILE 79 2HD1 ILE 79 2.456 4.154 4.425 723 3HD1 ILE 79 1HD1 ILE 79 4.047 3.731 3.757 724 MG ILE 79 QG2 ILE 79 3.944 0.544 5.331 725 MD ILE 79 QD1 ILE 79 3.115 3.455 4.072 726 QG ILE 79 QG1 ILE 79 3.686 3.522 6.292 727 H GLN 80 H GLN 80 7.991 2.310 7.109 728 HA GLN 80 HA GLN 80 8.709 -0.300 6.181 729 1HB GLN 80 2HB GLN 80 10.542 1.903 7.172 730 2HB GLN 80 1HB GLN 80 11.066 0.440 6.356 731 1HG GLN 80 2HG GLN 80 9.505 2.751 5.187 732 2HG GLN 80 1HG GLN 80 11.080 2.156 4.675 733 1HE2 GLN 80 1HE2 GLN 80 7.748 1.924 4.570 734 2HE2 GLN 80 2HE2 GLN 80 7.657 0.779 3.276 735 QB GLN 80 QB GLN 80 10.804 1.171 6.764 736 QG GLN 80 QG GLN 80 10.292 2.453 4.931 737 QE GLN 80 QE2 GLN 80 7.703 1.351 3.923 738 H ARG 81 H ARG 81 8.451 1.147 9.243 739 HA ARG 81 HA ARG 81 9.950 -0.932 10.587 740 1HB ARG 81 2HB ARG 81 8.173 1.217 11.779 741 2HB ARG 81 1HB ARG 81 9.344 0.206 12.623 742 1HG ARG 81 2HG ARG 81 11.127 1.153 11.424 743 2HG ARG 81 1HG ARG 81 10.033 2.189 10.492 744 1HD ARG 81 2HD ARG 81 10.952 3.531 12.211 745 2HD ARG 81 1HD ARG 81 9.307 3.147 12.718 746 HE ARG 81 HE ARG 81 10.675 1.223 13.920 747 1HH1 ARG 81 1HH1 ARG 81 11.248 4.717 13.789 748 2HH1 ARG 81 2HH1 ARG 81 12.138 4.773 15.233 749 1HH2 ARG 81 1HH2 ARG 81 11.903 1.303 15.919 750 2HH2 ARG 81 2HH2 ARG 81 12.491 2.806 16.489 751 QB ARG 81 QB ARG 81 8.759 0.711 12.201 752 QG ARG 81 QG ARG 81 10.580 1.671 10.958 753 QD ARG 81 QD ARG 81 10.130 3.339 12.465 754 QH1 ARG 81 QH1 ARG 81 11.693 4.745 14.511 755 QH2 ARG 81 QH2 ARG 81 12.197 2.054 16.204 756 H ASP 82 H ASP 82 7.545 -1.599 8.939 757 HA ASP 82 HA ASP 82 5.622 -2.451 10.923 758 1HB ASP 82 2HB ASP 82 4.935 -1.582 8.529 759 2HB ASP 82 1HB ASP 82 5.583 -3.098 8.022 760 QB ASP 82 QB ASP 82 5.259 -2.340 8.276 761 H ARG 83 H ARG 83 5.115 -4.892 9.011 762 HA ARG 83 HA ARG 83 6.841 -6.947 9.729 763 1HB ARG 83 2HB ARG 83 5.615 -7.666 11.880 764 2HB ARG 83 1HB ARG 83 6.738 -6.311 12.007 765 1HG ARG 83 2HG ARG 83 4.660 -4.834 11.624 766 2HG ARG 83 1HG ARG 83 3.735 -6.270 12.051 767 1HD ARG 83 2HD ARG 83 4.810 -6.375 14.201 768 2HD ARG 83 1HD ARG 83 5.925 -5.104 13.739 769 HE ARG 83 HE ARG 83 3.547 -3.888 13.443 770 1HH1 ARG 83 1HH1 ARG 83 4.786 -5.811 16.131 771 2HH1 ARG 83 2HH1 ARG 83 4.113 -4.819 17.329 772 1HH2 ARG 83 1HH2 ARG 83 2.607 -2.540 15.089 773 2HH2 ARG 83 2HH2 ARG 83 2.844 -2.914 16.732 774 QB ARG 83 QB ARG 83 6.176 -6.989 11.944 775 QG ARG 83 QG ARG 83 4.197 -5.552 11.837 776 QD ARG 83 QD ARG 83 5.367 -5.740 13.970 777 QH1 ARG 83 QH1 ARG 83 4.449 -5.315 16.730 778 QH2 ARG 83 QH2 ARG 83 2.726 -2.727 15.911 779 H ARG 84 H ARG 84 3.530 -5.745 9.505 780 HA ARG 84 HA ARG 84 2.155 -8.211 9.253 781 1HB ARG 84 2HB ARG 84 1.272 -5.538 8.162 782 2HB ARG 84 1HB ARG 84 0.256 -6.827 8.775 783 1HG ARG 84 2HG ARG 84 1.224 -6.370 11.049 784 2HG ARG 84 1HG ARG 84 2.002 -4.958 10.345 785 1HD ARG 84 2HD ARG 84 -0.314 -4.313 9.516 786 2HD ARG 84 1HD ARG 84 -0.905 -5.532 10.641 787 HE ARG 84 HE ARG 84 0.759 -3.270 11.469 788 1HH1 ARG 84 1HH1 ARG 84 -1.904 -5.439 12.217 789 2HH1 ARG 84 2HH1 ARG 84 -2.622 -4.410 13.389 790 1HH2 ARG 84 1HH2 ARG 84 -0.210 -1.857 13.134 791 2HH2 ARG 84 2HH2 ARG 84 -1.640 -2.344 13.905 792 QB ARG 84 QB ARG 84 0.764 -6.183 8.469 793 QG ARG 84 QG ARG 84 1.613 -5.664 10.697 794 QD ARG 84 QD ARG 84 -0.609 -4.922 10.078 795 QH1 ARG 84 QH1 ARG 84 -2.263 -4.924 12.803 796 QH2 ARG 84 QH2 ARG 84 -0.925 -2.100 13.520 797 H HIS 85 H HIS 85 3.283 -5.805 7.201 798 HA HIS 85 HA HIS 85 2.967 -7.493 4.884 799 1HB HIS 85 2HB HIS 85 3.547 -5.637 3.396 800 2HB HIS 85 1HB HIS 85 2.147 -5.267 4.341 801 HD1 HIS 85 1HD HIS 85 3.273 -2.955 3.029 802 HD2 HIS 85 2HD HIS 85 4.937 -4.133 6.654 803 HE1 HIS 85 1HE HIS 85 4.605 -1.080 3.921 804 HE2 HIS 85 2HE HIS 85 5.322 -1.759 6.164 805 QB HIS 85 QB HIS 85 2.847 -5.452 3.868 806 H SER 86 H SER 86 4.276 -8.725 4.655 807 HA SER 86 HA SER 86 6.365 -9.202 6.119 808 1HB SER 86 2HB SER 86 5.239 -10.145 3.871 809 2HB SER 86 1HB SER 86 6.957 -10.678 3.998 810 HG SER 86 HG SER 86 5.758 -12.129 5.124 811 QB SER 86 QB SER 86 6.098 -10.412 3.934 812 H ASN 87 H ASN 87 6.826 -6.983 3.824 813 HA ASN 87 HA ASN 87 9.696 -7.223 4.046 814 1HB ASN 87 2HB ASN 87 8.552 -7.342 1.263 815 2HB ASN 87 1HB ASN 87 10.249 -7.081 1.618 816 1HD2 ASN 87 1HD2 ASN 87 11.473 -8.784 2.339 817 2HD2 ASN 87 2HD2 ASN 87 10.926 -10.417 2.225 818 QB ASN 87 QB ASN 87 9.401 -7.211 1.441 819 QD ASN 87 QD2 ASN 87 11.199 -9.601 2.282 820 H VAL 88 H VAL 88 7.357 -5.557 2.588 821 HA VAL 88 HA VAL 88 7.394 -3.807 1.370 822 HB VAL 88 HB VAL 88 6.384 -3.201 3.297 823 1HG1 VAL 88 3HG1 VAL 88 7.898 -3.501 4.896 824 2HG1 VAL 88 2HG1 VAL 88 8.872 -2.035 4.368 825 3HG1 VAL 88 1HG1 VAL 88 7.190 -1.865 4.964 826 1HG2 VAL 88 3HG2 VAL 88 6.446 -1.583 1.565 827 2HG2 VAL 88 2HG2 VAL 88 6.442 -0.777 3.128 828 3HG2 VAL 88 1HG2 VAL 88 7.956 -0.935 2.193 829 MG1 VAL 88 QG1 VAL 88 7.987 -2.467 4.743 830 MG2 VAL 88 QG2 VAL 88 6.948 -1.098 2.295 831 QG VAL 88 QQG VAL 88 7.467 -1.783 3.519 832 H GLU 89 H GLU 89 8.759 -4.363 0.071 833 HA GLU 89 HA GLU 89 11.274 -2.933 0.054 834 1HB GLU 89 2HB GLU 89 10.020 -4.973 -1.699 835 2HB GLU 89 1HB GLU 89 11.553 -4.223 -2.105 836 1HG GLU 89 2HG GLU 89 12.616 -5.140 -0.276 837 2HG GLU 89 1HG GLU 89 11.087 -5.566 0.494 838 QB GLU 89 QB GLU 89 10.787 -4.598 -1.902 839 QG GLU 89 QG GLU 89 11.851 -5.353 0.109 840 H ILE 90 H ILE 90 10.256 -0.953 -0.051 841 HA ILE 90 HA ILE 90 8.859 0.256 -2.178 842 HB ILE 90 HB ILE 90 11.429 1.490 -1.254 843 1HG1 ILE 90 2HG1 ILE 90 10.614 0.591 0.815 844 2HG1 ILE 90 1HG1 ILE 90 10.404 2.337 0.803 845 1HG2 ILE 90 2HG2 ILE 90 8.652 2.631 -1.578 846 2HG2 ILE 90 1HG2 ILE 90 10.059 3.555 -1.150 847 3HG2 ILE 90 3HG2 ILE 90 9.979 2.816 -2.753 848 1HD1 ILE 90 3HD1 ILE 90 8.073 2.023 0.201 849 2HD1 ILE 90 2HD1 ILE 90 8.318 0.275 0.313 850 3HD1 ILE 90 1HD1 ILE 90 8.491 1.285 1.754 851 MG ILE 90 QG2 ILE 90 9.563 3.001 -1.827 852 MD ILE 90 QD1 ILE 90 8.294 1.194 0.756 853 QG ILE 90 QG1 ILE 90 10.509 1.464 0.809 854 H LEU 91 H LEU 91 12.167 0.244 -1.976 855 HA LEU 91 HA LEU 91 13.882 0.078 -3.420 856 1HB LEU 91 2HB LEU 91 12.039 -1.785 -4.915 857 2HB LEU 91 1HB LEU 91 13.755 -1.624 -5.215 858 HG LEU 91 HG LEU 91 12.506 -2.645 -2.643 859 1HD1 LEU 91 1HD1 LEU 91 14.000 -4.095 -4.826 860 2HD1 LEU 91 3HD1 LEU 91 13.457 -4.793 -3.304 861 3HD1 LEU 91 2HD1 LEU 91 12.275 -4.219 -4.481 862 1HD2 LEU 91 2HD2 LEU 91 15.408 -2.435 -3.458 863 2HD2 LEU 91 1HD2 LEU 91 14.612 -1.486 -2.205 864 3HD2 LEU 91 3HD2 LEU 91 14.803 -3.224 -2.007 865 MD1 LEU 91 QD1 LEU 91 13.244 -4.369 -4.204 866 MD2 LEU 91 QD2 LEU 91 14.941 -2.382 -2.557 867 QB LEU 91 QB LEU 91 12.897 -1.704 -5.065 868 QD LEU 91 QQD LEU 91 14.093 -3.375 -3.380 869 H ALA 92 H ALA 92 10.920 1.398 -4.514 870 HA ALA 92 HA ALA 92 12.456 2.915 -6.482 871 1HB ALA 92 1HB ALA 92 11.227 1.230 -7.734 872 2HB ALA 92 2HB ALA 92 10.557 2.836 -8.048 873 3HB ALA 92 3HB ALA 92 9.729 1.730 -6.952 874 MB ALA 92 QB ALA 92 10.504 1.932 -7.578 875 H GLU 93 H GLU 93 12.437 4.875 -5.725 876 HA GLU 93 HA GLU 93 9.887 6.082 -4.950 877 1HB GLU 93 2HB GLU 93 12.671 6.792 -3.862 878 2HB GLU 93 1HB GLU 93 11.131 7.528 -3.438 879 1HG GLU 93 2HG GLU 93 10.393 5.756 -2.272 880 2HG GLU 93 1HG GLU 93 11.619 4.665 -2.936 881 QB GLU 93 QB GLU 93 11.901 7.160 -3.650 882 QG GLU 93 QG GLU 93 11.006 5.211 -2.604 883 H GLU 94 H GLU 94 9.389 7.346 -6.610 884 HA GLU 94 HA GLU 94 11.591 8.533 -8.128 885 1HB GLU 94 2HB GLU 94 10.078 8.287 -10.151 886 2HB GLU 94 1HB GLU 94 10.826 6.818 -9.537 887 1HG GLU 94 2HG GLU 94 8.764 6.144 -8.516 888 2HG GLU 94 1HG GLU 94 8.020 7.694 -8.903 889 QB GLU 94 QB GLU 94 10.452 7.553 -9.844 890 QG GLU 94 QG GLU 94 8.392 6.919 -8.710 891 H SER 95 H SER 95 11.359 10.568 -8.884 892 HA SER 95 HA SER 95 9.508 12.275 -7.567 893 1HB SER 95 2HB SER 95 11.270 12.829 -9.956 894 2HB SER 95 1HB SER 95 10.535 14.019 -8.873 895 HG SER 95 HG SER 95 11.895 12.255 -7.407 896 QB SER 95 QB SER 95 10.903 13.424 -9.414 897 H ILE 96 H ILE 96 7.564 12.797 -8.169 898 HA ILE 96 HA ILE 96 6.718 12.135 -10.922 899 HB ILE 96 HB ILE 96 4.530 11.771 -10.149 900 1HG1 ILE 96 2HG1 ILE 96 5.653 11.437 -7.394 901 2HG1 ILE 96 1HG1 ILE 96 4.946 12.958 -7.902 902 1HG2 ILE 96 3HG2 ILE 96 6.702 9.985 -9.060 903 2HG2 ILE 96 2HG2 ILE 96 5.021 9.483 -9.252 904 3HG2 ILE 96 1HG2 ILE 96 5.979 9.933 -10.667 905 1HD1 ILE 96 1HD1 ILE 96 3.500 10.343 -7.926 906 2HD1 ILE 96 3HD1 ILE 96 3.527 11.513 -6.599 907 3HD1 ILE 96 2HD1 ILE 96 2.876 12.013 -8.137 908 MG ILE 96 QG2 ILE 96 5.900 9.800 -9.660 909 MD ILE 96 QD1 ILE 96 3.301 11.290 -7.554 910 QG ILE 96 QG1 ILE 96 5.300 12.198 -7.648 911 H ALA 97 H ALA 97 4.831 13.125 -11.726 912 HA ALA 97 HA ALA 97 4.711 15.957 -11.079 913 1HB ALA 97 3HB ALA 97 4.891 15.207 -13.465 914 2HB ALA 97 1HB ALA 97 3.428 16.178 -13.081 915 3HB ALA 97 2HB ALA 97 3.297 14.437 -13.151 916 MB ALA 97 QB ALA 97 3.872 15.274 -13.233 917 H LYS 98 H LYS 98 3.485 13.321 -10.322 918 HA LYS 98 HA LYS 98 1.649 12.389 -9.479 919 1HB LYS 98 2HB LYS 98 2.423 14.126 -7.984 920 2HB LYS 98 1HB LYS 98 1.242 15.189 -8.731 921 1HG LYS 98 2HG LYS 98 0.166 12.793 -7.895 922 2HG LYS 98 1HG LYS 98 1.082 13.639 -6.611 923 1HD LYS 98 2HD LYS 98 -0.283 15.516 -6.690 924 2HD LYS 98 1HD LYS 98 -0.784 15.100 -8.350 925 1HE LYS 98 2HE LYS 98 -2.027 13.451 -7.733 926 2HE LYS 98 1HE LYS 98 -1.461 13.424 -6.043 927 1HZ LYS 98 1HZ LYS 98 -2.527 15.664 -5.789 928 2HZ LYS 98 3HZ LYS 98 -3.139 15.549 -7.352 929 3HZ LYS 98 2HZ LYS 98 -3.703 14.508 -6.159 930 QB LYS 98 QB LYS 98 1.833 14.657 -8.357 931 QD LYS 98 QD LYS 98 -0.534 15.308 -7.520 932 QG LYS 98 QG LYS 98 0.624 13.216 -7.253 933 QE LYS 98 QE LYS 98 -1.744 13.437 -6.888 934 QZ LYS 98 QZ LYS 98 -3.123 15.240 -6.433 935 H ARG 99 H ARG 99 -0.867 13.012 -9.208 936 HA ARG 99 HA ARG 99 -2.897 13.379 -10.061 937 1HB ARG 99 2HB ARG 99 -2.223 15.540 -10.972 938 2HB ARG 99 1HB ARG 99 -1.368 14.780 -12.281 939 1HG ARG 99 2HG ARG 99 -3.405 15.965 -12.968 940 2HG ARG 99 1HG ARG 99 -3.437 14.262 -13.394 941 1HD ARG 99 2HD ARG 99 -4.676 15.116 -10.838 942 2HD ARG 99 1HD ARG 99 -5.527 15.488 -12.337 943 HE ARG 99 HE ARG 99 -4.708 12.802 -12.337 944 1HH1 ARG 99 1HH1 ARG 99 -7.085 14.901 -10.796 945 2HH1 ARG 99 2HH1 ARG 99 -8.278 13.698 -10.648 946 1HH2 ARG 99 1HH2 ARG 99 -6.323 11.136 -12.152 947 2HH2 ARG 99 2HH2 ARG 99 -7.842 11.479 -11.455 948 QB ARG 99 QB ARG 99 -1.795 15.160 -11.626 949 QG ARG 99 QG ARG 99 -3.421 15.113 -13.181 950 QD ARG 99 QD ARG 99 -5.102 15.302 -11.588 951 QH1 ARG 99 QH1 ARG 99 -7.681 14.299 -10.722 952 QH2 ARG 99 QH2 ARG 99 -7.083 11.308 -11.803 953 H ARG 100 H ARG 100 -1.828 11.052 -10.000 954 HA ARG 100 HA ARG 100 -2.669 9.832 -12.490 955 1HB ARG 100 2HB ARG 100 -1.381 8.596 -10.065 956 2HB ARG 100 1HB ARG 100 -1.771 7.746 -11.552 957 1HG ARG 100 2HG ARG 100 -0.249 9.198 -12.771 958 2HG ARG 100 1HG ARG 100 0.142 10.025 -11.254 959 1HD ARG 100 2HD ARG 100 1.851 8.334 -11.847 960 2HD ARG 100 1HD ARG 100 1.023 7.917 -10.349 961 HE ARG 100 HE ARG 100 -0.407 6.637 -12.289 962 1HH1 ARG 100 1HH1 ARG 100 3.060 6.528 -11.435 963 2HH1 ARG 100 2HH1 ARG 100 3.204 4.899 -11.903 964 1HH2 ARG 100 1HH2 ARG 100 -0.137 4.418 -12.846 965 2HH2 ARG 100 2HH2 ARG 100 1.395 3.681 -12.701 966 QB ARG 100 QB ARG 100 -1.576 8.171 -10.808 967 QG ARG 100 QG ARG 100 -0.053 9.612 -12.012 968 QD ARG 100 QD ARG 100 1.437 8.125 -11.098 969 QH1 ARG 100 QH1 ARG 100 3.132 5.713 -11.669 970 QH2 ARG 100 QH2 ARG 100 0.629 4.050 -12.773 971 H PHE 101 H PHE 101 -3.217 9.170 -8.996 972 HA PHE 101 HA PHE 101 -5.742 8.021 -9.916 973 1HB PHE 101 2HB PHE 101 -4.036 7.235 -7.611 974 2HB PHE 101 1HB PHE 101 -5.748 6.830 -7.610 975 HD1 PHE 101 1HD PHE 101 -6.391 4.822 -8.517 976 HD2 PHE 101 2HD PHE 101 -2.788 6.634 -9.861 977 HE1 PHE 101 1HE PHE 101 -5.952 2.880 -9.942 978 HE2 PHE 101 2HE PHE 101 -2.345 4.689 -11.288 979 HZ PHE 101 HZ PHE 101 -3.902 2.819 -11.333 980 QB PHE 101 QB PHE 101 -4.892 7.032 -7.610 981 QD PHE 101 QD PHE 101 -4.589 5.728 -9.189 982 QE PHE 101 QE PHE 101 -4.149 3.785 -10.615 983 QR PHE 101 QR PHE 101 -4.276 4.369 -10.188 984 H ALA 102 H ALA 102 -4.655 10.432 -8.209 985 HA ALA 102 HA ALA 102 -5.603 12.260 -7.184 986 1HB ALA 102 1HB ALA 102 -7.139 12.205 -9.128 987 2HB ALA 102 2HB ALA 102 -7.856 12.923 -7.688 988 3HB ALA 102 3HB ALA 102 -8.273 11.271 -8.155 989 MB ALA 102 QB ALA 102 -7.756 12.133 -8.324 990 H GLY 103 H GLY 103 -6.759 9.260 -6.241 991 1HA GLY 103 1HA GLY 103 -8.272 9.391 -4.085 992 2HA GLY 103 2HA GLY 103 -6.788 10.143 -3.479 993 QA GLY 103 QA GLY 103 -7.530 9.767 -3.782 994 H TRP 104 H TRP 104 -6.599 8.179 -2.048 995 HA TRP 104 HA TRP 104 -5.241 6.113 -3.506 996 1HB TRP 104 2HB TRP 104 -4.053 6.709 -1.572 997 2HB TRP 104 1HB TRP 104 -5.473 6.772 -0.582 998 HD1 TRP 104 HD TRP 104 -2.728 4.413 -1.711 999 HE1 TRP 104 1HE TRP 104 -2.968 2.216 -0.358 1000 HE3 TRP 104 3HE TRP 104 -7.295 5.223 0.472 1001 HZ2 TRP 104 2HZ TRP 104 -4.867 1.047 1.358 1002 HZ3 TRP 104 3HZ TRP 104 -8.193 3.670 1.845 1003 HH2 TRP 104 HH TRP 104 -7.118 1.645 2.340 1004 QB TRP 104 QB TRP 104 -4.763 6.741 -1.077 1005 H HIS 105 H HIS 105 -5.825 4.100 -3.903 1006 HA HIS 105 HA HIS 105 -8.636 3.433 -3.301 1007 1HB HIS 105 2HB HIS 105 -6.946 3.232 -5.705 1008 2HB HIS 105 1HB HIS 105 -8.427 2.248 -5.593 1009 HD1 HIS 105 1HD HIS 105 -10.672 3.806 -5.394 1010 HD2 HIS 105 2HD HIS 105 -7.211 5.708 -6.651 1011 HE1 HIS 105 1HE HIS 105 -11.426 5.943 -6.473 1012 HE2 HIS 105 2HE HIS 105 -9.315 7.160 -7.010 1013 QB HIS 105 QB HIS 105 -7.687 2.740 -5.649 1014 H MET 106 H MET 106 -8.436 1.770 -1.794 1015 HA MET 106 HA MET 106 -6.355 -0.178 -2.231 1016 1HB MET 106 2HB MET 106 -7.039 0.489 0.108 1017 2HB MET 106 1HB MET 106 -8.567 -0.345 -0.168 1018 1HG MET 106 2HG MET 106 -7.431 -2.454 -0.414 1019 2HG MET 106 1HG MET 106 -5.872 -1.644 -0.346 1020 1HE MET 106 2HE MET 106 -6.504 -4.170 1.413 1021 2HE MET 106 1HE MET 106 -4.966 -3.340 1.548 1022 3HE MET 106 3HE MET 106 -5.917 -3.667 3.001 1023 QB MET 106 QB MET 106 -7.803 0.072 -0.030 1024 QG MET 106 QG MET 106 -6.652 -2.049 -0.380 1025 ME MET 106 QE MET 106 -5.796 -3.726 1.987 1026 H GLN 107 H GLN 107 -6.534 -1.968 -3.407 1027 HA GLN 107 HA GLN 107 -9.111 -2.418 -4.620 1028 1HB GLN 107 2HB GLN 107 -6.436 -3.677 -5.220 1029 2HB GLN 107 1HB GLN 107 -7.912 -3.992 -6.126 1030 1HG GLN 107 2HG GLN 107 -6.524 -1.330 -5.855 1031 2HG GLN 107 1HG GLN 107 -6.508 -2.365 -7.281 1032 1HE2 GLN 107 1HE2 GLN 107 -8.411 -0.171 -5.355 1033 2HE2 GLN 107 2HE2 GLN 107 -9.697 0.002 -6.493 1034 QB GLN 107 QB GLN 107 -7.174 -3.834 -5.673 1035 QG GLN 107 QG GLN 107 -6.516 -1.848 -6.568 1036 QE GLN 107 QE2 GLN 107 -9.054 -0.085 -5.924 1037 H LEU 108 H LEU 108 -7.061 -3.994 -2.287 1038 HA LEU 108 HA LEU 108 -8.953 -6.181 -2.187 1039 1HB LEU 108 2HB LEU 108 -6.601 -6.718 -1.667 1040 2HB LEU 108 1HB LEU 108 -6.626 -5.595 -0.319 1041 HG LEU 108 HG LEU 108 -8.380 -7.000 0.757 1042 1HD1 LEU 108 1HD1 LEU 108 -7.779 -8.917 -1.480 1043 2HD1 LEU 108 3HD1 LEU 108 -8.722 -9.286 -0.040 1044 3HD1 LEU 108 2HD1 LEU 108 -9.304 -8.079 -1.184 1045 1HD2 LEU 108 3HD2 LEU 108 -5.791 -8.404 0.117 1046 2HD2 LEU 108 2HD2 LEU 108 -6.054 -7.242 1.416 1047 3HD2 LEU 108 1HD2 LEU 108 -6.871 -8.806 1.452 1048 MD1 LEU 108 QD1 LEU 108 -8.601 -8.761 -0.901 1049 MD2 LEU 108 QD2 LEU 108 -6.239 -8.151 0.995 1050 QB LEU 108 QB LEU 108 -6.613 -6.156 -0.993 1051 QD LEU 108 QQD LEU 108 -7.420 -8.456 0.047 1052 H SER 109 H SER 109 -10.662 -4.905 -1.945 1053 HA SER 109 HA SER 109 -11.478 -4.248 0.701 1054 1HB SER 109 2HB SER 109 -10.215 -2.217 0.085 1055 2HB SER 109 1HB SER 109 -11.043 -2.145 -1.461 1056 HG SER 109 HG SER 109 -12.261 -1.859 1.093 1057 QB SER 109 QB SER 109 -10.629 -2.181 -0.688 1058 H CYS 110 H CYS 110 -13.642 -4.725 0.677 1059 HA CYS 110 HA CYS 110 -15.605 -5.511 -0.044 1060 1HB CYS 110 2HB CYS 110 -15.152 -3.577 -2.336 1061 2HB CYS 110 1HB CYS 110 -16.698 -4.291 -1.897 1062 HG CYS 110 HG CYS 110 -16.285 -3.079 0.809 1063 QB CYS 110 QB CYS 110 -15.925 -3.934 -2.116 1064 H SER 111 H SER 111 -13.814 -7.368 -0.490 1065 HA SER 111 HA SER 111 -13.744 -8.151 -3.245 1066 1HB SER 111 2HB SER 111 -12.658 -10.247 -2.178 1067 2HB SER 111 1HB SER 111 -11.785 -8.719 -2.033 1068 HG SER 111 HG SER 111 -13.576 -9.685 -0.085 1069 QB SER 111 QB SER 111 -12.221 -9.483 -2.106 1070 H GLU 112 H GLU 112 -15.857 -8.184 -3.651 1071 HA GLU 112 HA GLU 112 -17.944 -8.575 -3.633 1072 1HB GLU 112 2HB GLU 112 -18.687 -10.776 -4.397 1073 2HB GLU 112 1HB GLU 112 -17.174 -10.348 -5.149 1074 1HG GLU 112 2HG GLU 112 -16.717 -12.520 -4.731 1075 2HG GLU 112 1HG GLU 112 -16.273 -11.900 -3.137 1076 QB GLU 112 QB GLU 112 -17.930 -10.562 -4.773 1077 QG GLU 112 QG GLU 112 -16.495 -12.210 -3.934 1078 H ALA 113 H ALA 113 -17.414 -11.332 -1.497 1079 HA ALA 113 HA ALA 113 -18.515 -12.015 0.375 1080 1HB ALA 113 2HB ALA 113 -18.305 -9.085 1.096 1081 2HB ALA 113 1HB ALA 113 -18.537 -10.420 2.226 1082 3HB ALA 113 3HB ALA 113 -17.030 -10.285 1.321 1083 MB ALA 113 QB ALA 113 -17.957 -9.930 1.548 1084 H ASP 114 H ASP 114 -20.121 -11.117 -1.835 1085 HA ASP 114 HA ASP 114 -22.677 -10.536 -0.465 1086 1HB ASP 114 2HB ASP 114 -21.666 -8.417 -1.379 1087 2HB ASP 114 1HB ASP 114 -21.801 -9.114 -2.988 1088 QB ASP 114 QB ASP 114 -21.733 -8.766 -2.184 1089 H MET 115 H MET 115 -20.942 -11.605 -3.334 1090 HA MET 115 HA MET 115 -23.209 -12.908 -4.545 1091 1HB MET 115 2HB MET 115 -21.121 -12.024 -5.761 1092 2HB MET 115 1HB MET 115 -20.249 -13.348 -5.004 1093 1HG MET 115 2HG MET 115 -21.795 -14.930 -6.114 1094 2HG MET 115 1HG MET 115 -22.509 -13.562 -6.973 1095 1HE MET 115 3HE MET 115 -22.060 -14.567 -9.319 1096 2HE MET 115 2HE MET 115 -20.505 -15.213 -9.849 1097 3HE MET 115 1HE MET 115 -21.406 -16.019 -8.566 1098 QB MET 115 QB MET 115 -20.685 -12.686 -5.383 1099 QG MET 115 QG MET 115 -22.152 -14.246 -6.543 1100 ME MET 115 QE MET 115 -21.324 -15.267 -9.245 1101 H ARG 116 H ARG 116 -20.424 -13.510 -2.568 1102 HA ARG 116 HA ARG 116 -19.991 -14.849 -0.874 1103 1HB ARG 116 2HB ARG 116 -22.774 -15.875 -1.319 1104 2HB ARG 116 1HB ARG 116 -21.772 -16.273 0.080 1105 1HG ARG 116 2HG ARG 116 -21.764 -13.963 0.776 1106 2HG ARG 116 1HG ARG 116 -22.611 -13.484 -0.689 1107 1HD ARG 116 2HD ARG 116 -23.687 -15.253 1.505 1108 2HD ARG 116 1HD ARG 116 -24.117 -13.569 1.225 1109 HE ARG 116 HE ARG 116 -24.749 -15.813 -0.567 1110 1HH1 ARG 116 1HH1 ARG 116 -25.439 -12.507 0.514 1111 2HH1 ARG 116 2HH1 ARG 116 -26.990 -12.473 -0.169 1112 1HH2 ARG 116 1HH2 ARG 116 -26.846 -15.738 -1.509 1113 2HH2 ARG 116 2HH2 ARG 116 -27.808 -14.328 -1.369 1114 QB ARG 116 QB ARG 116 -22.273 -16.074 -0.619 1115 QG ARG 116 QG ARG 116 -22.188 -13.723 0.043 1116 QD ARG 116 QD ARG 116 -23.902 -14.411 1.365 1117 QH1 ARG 116 QH1 ARG 116 -26.214 -12.490 0.172 1118 QH2 ARG 116 QH2 ARG 116 -27.327 -15.033 -1.439 1119 H SER 117 H SER 117 -19.515 -15.500 -3.643 1120 HA SER 117 HA SER 117 -19.641 -18.388 -3.836 1121 1HB SER 117 2HB SER 117 -18.381 -16.379 -5.712 1122 2HB SER 117 1HB SER 117 -18.739 -18.067 -6.069 1123 HG SER 117 HG SER 117 -20.254 -16.132 -6.584 1124 QB SER 117 QB SER 117 -18.560 -17.223 -5.890 1125 H LEU 118 H LEU 118 -17.425 -15.932 -2.796 1126 HA LEU 118 HA LEU 118 -15.012 -17.389 -3.182 1127 1HB LEU 118 2HB LEU 118 -15.588 -15.220 -1.179 1128 2HB LEU 118 1HB LEU 118 -14.000 -15.866 -1.523 1129 HG LEU 118 HG LEU 118 -15.772 -14.327 -3.377 1130 1HD1 LEU 118 2HD1 LEU 118 -13.122 -13.671 -2.084 1131 2HD1 LEU 118 1HD1 LEU 118 -13.937 -12.665 -3.282 1132 3HD1 LEU 118 3HD1 LEU 118 -14.688 -12.945 -1.712 1133 1HD2 LEU 118 2HD2 LEU 118 -13.047 -15.519 -3.910 1134 2HD2 LEU 118 1HD2 LEU 118 -14.572 -16.008 -4.651 1135 3HD2 LEU 118 3HD2 LEU 118 -13.912 -14.412 -4.975 1136 MD1 LEU 118 QD1 LEU 118 -13.916 -13.094 -2.359 1137 MD2 LEU 118 QD2 LEU 118 -13.844 -15.313 -4.512 1138 QB LEU 118 QB LEU 118 -14.794 -15.543 -1.351 1139 QD LEU 118 QQD LEU 118 -13.880 -14.203 -3.436 1140 H GLY 119 H GLY 119 -17.390 -18.430 -1.396 1141 1HA GLY 119 1HA GLY 119 -15.522 -19.746 0.482 1142 2HA GLY 119 2HA GLY 119 -16.953 -20.519 -0.183 1143 QA GLY 119 QA GLY 119 -16.238 -20.133 0.150 1144 H LEU 120 H LEU 120 -17.814 -17.465 0.471 1145 HA LEU 120 HA LEU 120 -18.228 -17.552 3.294 1146 1HB LEU 120 2HB LEU 120 -18.302 -15.515 1.615 1147 2HB LEU 120 1HB LEU 120 -19.955 -16.076 1.377 1148 HG LEU 120 HG LEU 120 -18.930 -15.243 4.092 1149 1HD1 LEU 120 3HD1 LEU 120 -18.669 -13.364 2.585 1150 2HD1 LEU 120 2HD1 LEU 120 -20.335 -13.538 2.040 1151 3HD1 LEU 120 1HD1 LEU 120 -19.994 -13.085 3.708 1152 1HD2 LEU 120 1HD2 LEU 120 -20.991 -16.585 4.077 1153 2HD2 LEU 120 3HD2 LEU 120 -21.310 -14.925 4.590 1154 3HD2 LEU 120 2HD2 LEU 120 -21.725 -15.435 2.956 1155 MD1 LEU 120 QD1 LEU 120 -19.666 -13.329 2.778 1156 MD2 LEU 120 QD2 LEU 120 -21.342 -15.648 3.874 1157 QB LEU 120 QB LEU 120 -19.128 -15.796 1.496 1158 QD LEU 120 QQD LEU 120 -20.504 -14.489 3.326 1159 H ALA 121 H ALA 121 -20.371 -18.013 0.463 1160 HA ALA 121 HA ALA 121 -22.185 -19.391 2.164 1161 1HB ALA 121 2HB ALA 121 -23.737 -19.338 0.198 1162 2HB ALA 121 3HB ALA 121 -22.498 -18.451 -0.686 1163 3HB ALA 121 1HB ALA 121 -23.239 -17.732 0.741 1164 MB ALA 121 QB ALA 121 -23.158 -18.507 0.084 1165 H GLU 122 H GLU 122 -21.085 -21.228 2.410 1166 HA GLU 122 HA GLU 122 -20.935 -23.099 0.220 1167 1HB GLU 122 2HB GLU 122 -18.696 -21.608 0.783 1168 2HB GLU 122 1HB GLU 122 -18.515 -22.881 1.971 1169 1HG GLU 122 2HG GLU 122 -18.751 -23.350 -1.012 1170 2HG GLU 122 1HG GLU 122 -17.232 -23.212 -0.150 1171 QB GLU 122 QB GLU 122 -18.606 -22.245 1.377 1172 QG GLU 122 QG GLU 122 -17.992 -23.281 -0.581 1173 H SER 123 H SER 123 -19.907 -25.139 1.629 1174 HA SER 123 HA SER 123 -21.534 -25.220 4.052 1175 1HB SER 123 2HB SER 123 -21.447 -27.723 3.608 1176 2HB SER 123 1HB SER 123 -22.349 -26.771 2.434 1177 HG SER 123 HG SER 123 -20.367 -26.783 1.123 1178 QB SER 123 QB SER 123 -21.898 -27.247 3.021 1179 H ARG 124 H ARG 124 -20.578 -26.671 5.827 1180 HA ARG 124 HA ARG 124 -17.841 -27.267 5.631 1181 1HB ARG 124 2HB ARG 124 -16.983 -25.962 7.480 1182 2HB ARG 124 1HB ARG 124 -17.739 -24.837 6.383 1183 1HG ARG 124 2HG ARG 124 -19.007 -25.863 8.920 1184 2HG ARG 124 1HG ARG 124 -18.108 -24.355 8.797 1185 1HD ARG 124 2HD ARG 124 -20.555 -25.042 7.204 1186 2HD ARG 124 1HD ARG 124 -20.585 -24.080 8.689 1187 HE ARG 124 HE ARG 124 -18.828 -22.770 7.135 1188 1HH1 ARG 124 1HH1 ARG 124 -22.082 -23.943 6.495 1189 2HH1 ARG 124 2HH1 ARG 124 -22.463 -22.686 5.402 1190 1HH2 ARG 124 1HH2 ARG 124 -19.366 -21.041 5.692 1191 2HH2 ARG 124 2HH2 ARG 124 -20.910 -20.980 4.961 1192 QB ARG 124 QB ARG 124 -17.361 -25.399 6.931 1193 QG ARG 124 QG ARG 124 -18.557 -25.109 8.859 1194 QD ARG 124 QD ARG 124 -20.570 -24.561 7.947 1195 QH1 ARG 124 QH1 ARG 124 -22.272 -23.314 5.949 1196 QH2 ARG 124 QH2 ARG 124 -20.138 -21.011 5.327 1197 H GLN 125 H GLN 125 -17.471 -28.966 6.740 1198 HA GLN 125 HA GLN 125 -19.521 -29.905 8.639 1199 1HB GLN 125 2HB GLN 125 -19.522 -31.174 6.544 1200 2HB GLN 125 1HB GLN 125 -17.812 -31.515 6.758 1201 1HG GLN 125 2HG GLN 125 -18.312 -32.811 8.752 1202 2HG GLN 125 1HG GLN 125 -20.027 -32.450 8.571 1203 1HE2 GLN 125 1HE2 GLN 125 -17.908 -33.101 5.865 1204 2HE2 GLN 125 2HE2 GLN 125 -18.620 -34.609 5.454 1205 QB GLN 125 QB GLN 125 -18.667 -31.344 6.651 1206 QG GLN 125 QG GLN 125 -19.170 -32.630 8.662 1207 QE GLN 125 QE2 GLN 125 -18.264 -33.855 5.659 No H/Q in entry = 1207 Start of MODEL 4 1 H1 LEU 5 2HT LEU 5 -0.030 29.981 -30.363 2 H2 LEU 5 1HT LEU 5 1.137 30.483 -31.498 3 H3 LEU 5 3HT LEU 5 0.804 28.847 -31.269 4 HA LEU 5 HA LEU 5 2.860 29.380 -30.160 5 1HB LEU 5 2HB LEU 5 1.634 31.770 -29.658 6 2HB LEU 5 1HB LEU 5 1.362 30.900 -28.146 7 HG LEU 5 HG LEU 5 3.267 32.334 -27.908 8 1HD1 LEU 5 3HD1 LEU 5 4.153 29.492 -28.175 9 2HD1 LEU 5 2HD1 LEU 5 5.042 30.762 -27.327 10 3HD1 LEU 5 1HD1 LEU 5 3.454 30.247 -26.743 11 1HD2 LEU 5 1HD2 LEU 5 3.808 32.615 -30.227 12 2HD2 LEU 5 3HD2 LEU 5 5.246 32.139 -29.323 13 3HD2 LEU 5 2HD2 LEU 5 4.395 30.957 -30.328 14 MD1 LEU 5 QD1 LEU 5 4.217 30.167 -27.415 15 MD2 LEU 5 QD2 LEU 5 4.483 31.903 -29.959 16 QB LEU 5 QB LEU 5 1.498 31.335 -28.902 17 QD LEU 5 QQD LEU 5 4.350 31.035 -28.687 18 H GLU 6 H GLU 6 3.140 27.650 -28.883 19 HA GLU 6 HA GLU 6 0.799 26.480 -27.686 20 1HB GLU 6 2HB GLU 6 2.321 25.098 -29.147 21 2HB GLU 6 1HB GLU 6 3.522 25.379 -27.872 22 1HG GLU 6 2HG GLU 6 2.400 23.205 -27.893 23 2HG GLU 6 1HG GLU 6 2.305 24.070 -26.343 24 QB GLU 6 QB GLU 6 2.922 25.238 -28.510 25 QG GLU 6 QG GLU 6 2.352 23.638 -27.118 26 H ALA 7 H ALA 7 0.776 25.870 -25.540 27 HA ALA 7 HA ALA 7 2.537 27.523 -23.859 28 1HB ALA 7 3HB ALA 7 -0.239 26.530 -23.352 29 2HB ALA 7 2HB ALA 7 0.708 27.516 -22.230 30 3HB ALA 7 1HB ALA 7 0.196 28.180 -23.791 31 MB ALA 7 QB ALA 7 0.222 27.409 -23.124 32 H ASP 8 H ASP 8 3.527 26.635 -22.097 33 HA ASP 8 HA ASP 8 3.098 23.808 -21.520 34 1HB ASP 8 2HB ASP 8 5.200 24.337 -22.753 35 2HB ASP 8 1HB ASP 8 5.637 25.415 -21.457 36 QB ASP 8 QB ASP 8 5.418 24.876 -22.105 37 H VAL 9 H VAL 9 2.733 23.470 -19.325 38 HA VAL 9 HA VAL 9 2.515 25.580 -17.659 39 HB VAL 9 HB VAL 9 2.247 23.925 -15.778 40 1HG1 VAL 9 2HG1 VAL 9 0.610 23.525 -18.273 41 2HG1 VAL 9 1HG1 VAL 9 0.128 23.019 -16.651 42 3HG1 VAL 9 3HG1 VAL 9 0.344 24.729 -17.010 43 1HG2 VAL 9 2HG2 VAL 9 2.666 22.032 -18.042 44 2HG2 VAL 9 1HG2 VAL 9 3.685 22.218 -16.613 45 3HG2 VAL 9 3HG2 VAL 9 2.047 21.551 -16.451 46 MG1 VAL 9 QG1 VAL 9 0.361 23.758 -17.312 47 MG2 VAL 9 QG2 VAL 9 2.799 21.933 -17.035 48 QG VAL 9 QQG VAL 9 1.580 22.846 -17.173 49 H THR 10 H THR 10 5.176 23.967 -18.683 50 HA THR 10 HA THR 10 7.392 24.115 -18.383 51 HB THR 10 HB THR 10 8.382 25.908 -17.236 52 HG1 THR 10 1HG THR 10 5.916 26.110 -16.019 53 1HG2 THR 10 1HG2 THR 10 6.009 26.767 -18.884 54 2HG2 THR 10 3HG2 THR 10 7.379 27.808 -18.508 55 3HG2 THR 10 2HG2 THR 10 7.619 26.355 -19.474 56 MG THR 10 QG2 THR 10 7.002 26.977 -18.955 57 H MET 11 H MET 11 5.815 22.380 -16.610 58 HA MET 11 HA MET 11 7.360 22.460 -14.208 59 1HB MET 11 2HB MET 11 4.966 20.848 -15.030 60 2HB MET 11 1HB MET 11 5.854 20.558 -13.544 61 1HG MET 11 2HG MET 11 5.361 22.842 -12.804 62 2HG MET 11 1HG MET 11 4.488 23.134 -14.305 63 1HE MET 11 1HE MET 11 4.597 21.105 -10.951 64 2HE MET 11 3HE MET 11 3.116 20.153 -11.045 65 3HE MET 11 2HE MET 11 4.451 19.810 -12.142 66 QB MET 11 QB MET 11 5.410 20.703 -14.287 67 QG MET 11 QG MET 11 4.925 22.988 -13.554 68 ME MET 11 QE MET 11 4.055 20.356 -11.379 69 H THR 12 H THR 12 9.120 21.369 -13.962 70 HA THR 12 HA THR 12 9.648 18.927 -15.525 71 HB THR 12 HB THR 12 11.865 19.216 -14.766 72 HG1 THR 12 1HG THR 12 12.078 20.569 -13.046 73 1HG2 THR 12 2HG2 THR 12 11.258 20.149 -16.914 74 2HG2 THR 12 1HG2 THR 12 10.743 21.648 -16.152 75 3HG2 THR 12 3HG2 THR 12 12.452 21.205 -16.155 76 MG THR 12 QG2 THR 12 11.484 21.001 -16.407 77 H GLY 13 H GLY 13 8.436 19.995 -12.672 78 1HA GLY 13 1HA GLY 13 9.592 18.278 -10.799 79 2HA GLY 13 2HA GLY 13 8.129 17.559 -11.482 80 QA GLY 13 QA GLY 13 8.860 17.919 -11.141 81 H SER 14 H SER 14 8.145 18.176 -8.878 82 HA SER 14 HA SER 14 7.169 20.769 -8.345 83 1HB SER 14 2HB SER 14 5.207 19.549 -9.469 84 2HB SER 14 1HB SER 14 5.269 18.396 -8.146 85 HG SER 14 HG SER 14 4.884 20.386 -6.722 86 QB SER 14 QB SER 14 5.238 18.973 -8.807 87 H ASP 15 H ASP 15 5.648 19.041 -6.076 88 HA ASP 15 HA ASP 15 8.001 18.279 -4.707 89 1HB ASP 15 2HB ASP 15 6.768 19.116 -2.793 90 2HB ASP 15 1HB ASP 15 7.378 20.432 -3.748 91 QB ASP 15 QB ASP 15 7.073 19.774 -3.271 92 H LEU 16 H LEU 16 6.719 16.574 -6.145 93 HA LEU 16 HA LEU 16 5.457 14.911 -4.149 94 1HB LEU 16 2HB LEU 16 4.855 14.975 -7.072 95 2HB LEU 16 1HB LEU 16 4.170 13.870 -5.898 96 HG LEU 16 HG LEU 16 2.533 15.254 -6.384 97 1HD1 LEU 16 2HD1 LEU 16 2.597 15.116 -4.040 98 2HD1 LEU 16 1HD1 LEU 16 3.663 16.517 -3.935 99 3HD1 LEU 16 3HD1 LEU 16 2.005 16.712 -4.500 100 1HD2 LEU 16 1HD2 LEU 16 4.359 17.605 -6.437 101 2HD2 LEU 16 3HD2 LEU 16 3.525 16.766 -7.758 102 3HD2 LEU 16 2HD2 LEU 16 2.585 17.684 -6.592 103 MD1 LEU 16 QD1 LEU 16 2.755 16.115 -4.158 104 MD2 LEU 16 QD2 LEU 16 3.490 17.352 -6.929 105 QB LEU 16 QB LEU 16 4.513 14.423 -6.485 106 QD LEU 16 QQD LEU 16 3.122 16.733 -5.544 107 H VAL 17 H VAL 17 5.691 12.798 -4.433 108 HA VAL 17 HA VAL 17 7.846 11.987 -5.921 109 HB VAL 17 HB VAL 17 7.839 12.064 -2.911 110 1HG1 VAL 17 1HG1 VAL 17 9.353 10.255 -4.651 111 2HG1 VAL 17 3HG1 VAL 17 9.766 10.529 -2.929 112 3HG1 VAL 17 2HG1 VAL 17 8.165 9.839 -3.360 113 1HG2 VAL 17 3HG2 VAL 17 9.062 13.832 -4.095 114 2HG2 VAL 17 2HG2 VAL 17 10.146 12.814 -3.142 115 3HG2 VAL 17 1HG2 VAL 17 10.050 12.608 -4.885 116 MG1 VAL 17 QG1 VAL 17 9.095 10.208 -3.647 117 MG2 VAL 17 QG2 VAL 17 9.753 13.084 -4.041 118 QG VAL 17 QQG VAL 17 9.424 11.646 -3.844 119 H SER 18 H SER 18 7.693 9.605 -5.960 120 HA SER 18 HA SER 18 5.247 8.484 -4.827 121 1HB SER 18 2HB SER 18 4.879 9.106 -7.217 122 2HB SER 18 1HB SER 18 6.176 8.015 -7.673 123 HG SER 18 HG SER 18 3.964 7.172 -6.154 124 QB SER 18 QB SER 18 5.528 8.560 -7.445 125 H CYS 19 H CYS 19 5.892 6.946 -3.548 126 HA CYS 19 HA CYS 19 8.197 5.345 -4.295 127 1HB CYS 19 2HB CYS 19 6.608 5.492 -1.721 128 2HB CYS 19 1HB CYS 19 7.926 4.358 -1.999 129 HG CYS 19 HG CYS 19 9.714 5.904 -1.075 130 QB CYS 19 QB CYS 19 7.267 4.925 -1.860 131 H CYS 20 H CYS 20 7.941 3.369 -5.064 132 HA CYS 20 HA CYS 20 5.204 2.362 -5.323 133 1HB CYS 20 2HB CYS 20 6.245 3.332 -7.385 134 2HB CYS 20 1HB CYS 20 7.569 2.199 -7.219 135 HG CYS 20 HG CYS 20 6.520 0.474 -8.728 136 QB CYS 20 QB CYS 20 6.907 2.766 -7.302 137 H TYR 21 H TYR 21 5.143 0.431 -4.006 138 HA TYR 21 HA TYR 21 7.736 -0.936 -3.740 139 1HB TYR 21 2HB TYR 21 7.599 -1.083 -1.455 140 2HB TYR 21 1HB TYR 21 7.260 0.604 -1.830 141 HD1 TYR 21 1HD TYR 21 5.942 -2.559 -0.442 142 HD2 TYR 21 2HD TYR 21 5.189 1.582 -1.134 143 HE1 TYR 21 1HE TYR 21 4.163 -2.612 1.218 144 HE2 TYR 21 2HE TYR 21 3.399 1.505 0.538 145 HH TYR 21 HH TYR 21 1.920 -0.123 1.654 146 QB TYR 21 QB TYR 21 7.429 -0.239 -1.642 147 QD TYR 21 QD TYR 21 5.565 -0.489 -0.788 148 QE TYR 21 QE TYR 21 3.781 -0.553 0.878 149 QR TYR 21 QR TYR 21 4.673 -0.521 0.045 150 H ARG 22 H ARG 22 7.518 -3.115 -2.966 151 HA ARG 22 HA ARG 22 4.762 -4.123 -3.030 152 1HB ARG 22 2HB ARG 22 5.156 -5.995 -4.349 153 2HB ARG 22 1HB ARG 22 6.186 -4.798 -5.111 154 1HG ARG 22 2HG ARG 22 7.267 -6.719 -3.082 155 2HG ARG 22 1HG ARG 22 7.120 -7.164 -4.768 156 1HD ARG 22 2HD ARG 22 8.583 -5.311 -5.375 157 2HD ARG 22 1HD ARG 22 8.679 -4.824 -3.686 158 HE ARG 22 HE ARG 22 9.863 -6.848 -3.209 159 1HH1 ARG 22 1HH1 ARG 22 9.340 -6.460 -6.696 160 2HH1 ARG 22 2HH1 ARG 22 10.828 -7.154 -7.137 161 1HH2 ARG 22 1HH2 ARG 22 11.956 -7.776 -3.822 162 2HH2 ARG 22 2HH2 ARG 22 12.344 -7.927 -5.469 163 QB ARG 22 QB ARG 22 5.671 -5.396 -4.730 164 QG ARG 22 QG ARG 22 7.193 -6.942 -3.925 165 QD ARG 22 QD ARG 22 8.631 -5.067 -4.531 166 QH1 ARG 22 QH1 ARG 22 10.084 -6.807 -6.917 167 QH2 ARG 22 QH2 ARG 22 12.150 -7.852 -4.645 168 H SER 23 H SER 23 4.461 -6.061 -1.881 169 HA SER 23 HA SER 23 6.633 -6.838 -0.224 170 1HB SER 23 2HB SER 23 3.904 -6.195 0.945 171 2HB SER 23 1HB SER 23 5.256 -6.879 1.824 172 HG SER 23 HG SER 23 5.831 -4.591 0.468 173 QB SER 23 QB SER 23 4.580 -6.537 1.385 174 H LEU 24 H LEU 24 6.033 -8.927 0.738 175 HA LEU 24 HA LEU 24 3.951 -10.265 -0.870 176 1HB LEU 24 2HB LEU 24 6.442 -11.487 0.361 177 2HB LEU 24 1HB LEU 24 5.160 -12.440 -0.338 178 HG LEU 24 HG LEU 24 6.989 -12.366 -1.875 179 1HD1 LEU 24 1HD1 LEU 24 4.817 -12.343 -2.864 180 2HD1 LEU 24 3HD1 LEU 24 4.785 -10.579 -2.843 181 3HD1 LEU 24 2HD1 LEU 24 5.951 -11.420 -3.857 182 1HD2 LEU 24 2HD2 LEU 24 8.096 -10.275 -1.095 183 2HD2 LEU 24 1HD2 LEU 24 7.872 -10.318 -2.856 184 3HD2 LEU 24 3HD2 LEU 24 6.797 -9.357 -1.855 185 MD1 LEU 24 QD1 LEU 24 5.184 -11.447 -3.188 186 MD2 LEU 24 QD2 LEU 24 7.588 -9.983 -1.936 187 QB LEU 24 QB LEU 24 5.801 -11.963 0.012 188 QD LEU 24 QQD LEU 24 6.386 -10.715 -2.562 189 H ALA 25 H ALA 25 2.369 -9.561 0.511 190 HA ALA 25 HA ALA 25 2.211 -9.013 3.083 191 1HB ALA 25 1HB ALA 25 0.272 -8.921 1.575 192 2HB ALA 25 3HB ALA 25 0.043 -10.663 1.770 193 3HB ALA 25 2HB ALA 25 -0.131 -9.555 3.146 194 MB ALA 25 QB ALA 25 0.062 -9.713 2.164 195 H ALA 26 H ALA 26 2.846 -9.837 5.005 196 HA ALA 26 HA ALA 26 4.155 -12.044 4.888 197 1HB ALA 26 3HB ALA 26 4.608 -10.267 6.394 198 2HB ALA 26 2HB ALA 26 3.083 -10.547 7.245 199 3HB ALA 26 1HB ALA 26 4.368 -11.750 7.329 200 MB ALA 26 QB ALA 26 4.020 -10.855 6.989 201 HA PRO 27 HA PRO 27 0.897 -15.188 5.437 202 1HB PRO 27 2HB PRO 27 2.437 -17.092 6.650 203 2HB PRO 27 1HB PRO 27 2.478 -16.717 4.914 204 1HG PRO 27 2HG PRO 27 4.182 -15.471 7.070 205 2HG PRO 27 1HG PRO 27 4.771 -16.381 5.625 206 1HD PRO 27 2HD PRO 27 4.732 -13.835 5.650 207 2HD PRO 27 1HD PRO 27 3.926 -14.619 4.264 208 QB PRO 27 QB PRO 27 2.458 -16.905 5.782 209 QG PRO 27 QG PRO 27 4.476 -15.926 6.348 210 QD PRO 27 QD PRO 27 4.329 -14.227 4.957 211 H ASP 28 H ASP 28 2.228 -13.591 7.904 212 HA ASP 28 HA ASP 28 0.665 -15.033 9.937 213 1HB ASP 28 2HB ASP 28 2.217 -14.295 11.647 214 2HB ASP 28 1HB ASP 28 3.089 -15.120 10.363 215 QB ASP 28 QB ASP 28 2.653 -14.708 11.005 216 H LEU 29 H LEU 29 0.131 -12.661 8.071 217 HA LEU 29 HA LEU 29 -0.340 -10.478 9.848 218 1HB LEU 29 2HB LEU 29 -1.249 -10.965 7.051 219 2HB LEU 29 1HB LEU 29 -1.589 -9.491 7.946 220 HG LEU 29 HG LEU 29 1.011 -10.545 6.931 221 1HD1 LEU 29 3HD1 LEU 29 -0.446 -9.387 5.389 222 2HD1 LEU 29 2HD1 LEU 29 -0.494 -8.010 6.487 223 3HD1 LEU 29 1HD1 LEU 29 1.035 -8.468 5.709 224 1HD2 LEU 29 2HD2 LEU 29 0.507 -8.288 8.851 225 2HD2 LEU 29 1HD2 LEU 29 1.476 -9.722 9.152 226 3HD2 LEU 29 3HD2 LEU 29 2.028 -8.514 7.983 227 MD1 LEU 29 QD1 LEU 29 0.032 -8.621 5.862 228 MD2 LEU 29 QD2 LEU 29 1.337 -8.842 8.662 229 QB LEU 29 QB LEU 29 -1.419 -10.228 7.499 230 QD LEU 29 QQD LEU 29 0.684 -8.731 7.262 231 H THR 30 H THR 30 -2.224 -9.599 10.475 232 HA THR 30 HA THR 30 -4.509 -11.304 10.827 233 HB THR 30 HB THR 30 -4.957 -9.028 11.911 234 HG1 THR 30 1HG THR 30 -3.058 -8.055 12.552 235 1HG2 THR 30 3HG2 THR 30 -3.409 -11.345 12.977 236 2HG2 THR 30 2HG2 THR 30 -4.109 -10.069 14.011 237 3HG2 THR 30 1HG2 THR 30 -5.156 -11.065 12.987 238 MG THR 30 QG2 THR 30 -4.225 -10.827 13.325 239 H LEU 31 H LEU 31 -6.266 -11.007 9.764 240 HA LEU 31 HA LEU 31 -6.719 -9.261 7.558 241 1HB LEU 31 2HB LEU 31 -7.893 -11.418 8.182 242 2HB LEU 31 1HB LEU 31 -8.536 -10.392 9.480 243 HG LEU 31 HG LEU 31 -9.788 -9.055 7.927 244 1HD1 LEU 31 2HD1 LEU 31 -8.271 -9.138 6.037 245 2HD1 LEU 31 1HD1 LEU 31 -8.722 -10.822 5.724 246 3HD1 LEU 31 3HD1 LEU 31 -9.926 -9.525 5.592 247 1HD2 LEU 31 2HD2 LEU 31 -10.193 -11.998 7.491 248 2HD2 LEU 31 1HD2 LEU 31 -10.846 -11.018 8.802 249 3HD2 LEU 31 3HD2 LEU 31 -11.387 -10.742 7.144 250 MD1 LEU 31 QD1 LEU 31 -8.973 -9.828 5.784 251 MD2 LEU 31 QD2 LEU 31 -10.809 -11.252 7.812 252 QB LEU 31 QB LEU 31 -8.215 -10.905 8.831 253 QD LEU 31 QQD LEU 31 -9.891 -10.540 6.798 254 H ARG 32 H ARG 32 -7.554 -9.005 11.012 255 HA ARG 32 HA ARG 32 -9.111 -6.726 10.533 256 1HB ARG 32 2HB ARG 32 -9.337 -7.871 12.687 257 2HB ARG 32 1HB ARG 32 -7.693 -7.403 13.135 258 1HG ARG 32 2HG ARG 32 -9.258 -5.900 14.217 259 2HG ARG 32 1HG ARG 32 -8.371 -5.035 12.949 260 1HD ARG 32 2HD ARG 32 -10.436 -5.747 11.453 261 2HD ARG 32 1HD ARG 32 -11.214 -5.883 13.023 262 HE ARG 32 HE ARG 32 -10.101 -3.467 13.162 263 1HH1 ARG 32 1HH1 ARG 32 -12.286 -5.000 10.793 264 2HH1 ARG 32 2HH1 ARG 32 -12.794 -3.510 10.122 265 1HH2 ARG 32 1HH2 ARG 32 -10.847 -1.440 12.207 266 2HH2 ARG 32 2HH2 ARG 32 -11.972 -1.495 10.926 267 QB ARG 32 QB ARG 32 -8.515 -7.637 12.911 268 QG ARG 32 QG ARG 32 -8.814 -5.467 13.583 269 QD ARG 32 QD ARG 32 -10.825 -5.815 12.238 270 QH1 ARG 32 QH1 ARG 32 -12.540 -4.255 10.457 271 QH2 ARG 32 QH2 ARG 32 -11.410 -1.467 11.566 272 H ASP 33 H ASP 33 -5.736 -7.157 11.001 273 HA ASP 33 HA ASP 33 -5.085 -4.445 11.245 274 1HB ASP 33 2HB ASP 33 -3.554 -6.899 10.620 275 2HB ASP 33 1HB ASP 33 -2.821 -5.369 10.175 276 QB ASP 33 QB ASP 33 -3.188 -6.134 10.397 277 H LEU 34 H LEU 34 -5.615 -6.498 8.355 278 HA LEU 34 HA LEU 34 -4.685 -4.423 6.527 279 1HB LEU 34 2HB LEU 34 -6.560 -6.736 5.998 280 2HB LEU 34 1HB LEU 34 -6.121 -5.572 4.780 281 HG LEU 34 HG LEU 34 -4.891 -7.576 4.423 282 1HD1 LEU 34 2HD1 LEU 34 -3.698 -5.504 3.989 283 2HD1 LEU 34 1HD1 LEU 34 -3.072 -5.515 5.638 284 3HD1 LEU 34 3HD1 LEU 34 -2.605 -6.785 4.514 285 1HD2 LEU 34 3HD2 LEU 34 -5.129 -8.307 6.733 286 2HD2 LEU 34 2HD2 LEU 34 -3.490 -8.599 6.061 287 3HD2 LEU 34 1HD2 LEU 34 -3.818 -7.230 7.164 288 MD1 LEU 34 QD1 LEU 34 -3.125 -5.935 4.714 289 MD2 LEU 34 QD2 LEU 34 -4.146 -8.045 6.653 290 QB LEU 34 QB LEU 34 -6.340 -6.154 5.389 291 QD LEU 34 QQD LEU 34 -3.635 -6.990 5.683 292 H LEU 35 H LEU 35 -7.665 -5.352 7.840 293 HA LEU 35 HA LEU 35 -9.244 -3.479 6.402 294 1HB LEU 35 2HB LEU 35 -9.753 -5.189 8.823 295 2HB LEU 35 1HB LEU 35 -10.957 -4.054 8.252 296 HG LEU 35 HG LEU 35 -11.212 -6.512 7.546 297 1HD1 LEU 35 3HD1 LEU 35 -12.457 -4.669 6.474 298 2HD1 LEU 35 2HD1 LEU 35 -11.097 -4.383 5.390 299 3HD1 LEU 35 1HD1 LEU 35 -11.999 -5.893 5.287 300 1HD2 LEU 35 2HD2 LEU 35 -8.818 -6.825 6.912 301 2HD2 LEU 35 1HD2 LEU 35 -9.923 -7.248 5.574 302 3HD2 LEU 35 3HD2 LEU 35 -9.047 -5.714 5.614 303 MD1 LEU 35 QD1 LEU 35 -11.851 -4.982 5.717 304 MD2 LEU 35 QD2 LEU 35 -9.263 -6.595 6.033 305 QB LEU 35 QB LEU 35 -10.355 -4.621 8.537 306 QD LEU 35 QQD LEU 35 -10.557 -5.789 5.875 307 H ASP 36 H ASP 36 -7.488 -3.334 9.289 308 HA ASP 36 HA ASP 36 -8.547 -0.714 10.005 309 1HB ASP 36 2HB ASP 36 -7.567 -2.248 11.752 310 2HB ASP 36 1HB ASP 36 -5.978 -1.914 11.068 311 QB ASP 36 QB ASP 36 -6.772 -2.081 11.410 312 H ILE 37 H ILE 37 -5.654 -1.934 8.393 313 HA ILE 37 HA ILE 37 -4.216 0.394 7.999 314 HB ILE 37 HB ILE 37 -4.535 -2.003 6.171 315 1HG1 ILE 37 2HG1 ILE 37 -2.048 -1.098 7.548 316 2HG1 ILE 37 1HG1 ILE 37 -3.192 -2.057 8.443 317 1HG2 ILE 37 1HG2 ILE 37 -4.004 -0.092 4.728 318 2HG2 ILE 37 3HG2 ILE 37 -2.635 0.319 5.760 319 3HG2 ILE 37 2HG2 ILE 37 -2.626 -1.187 4.843 320 1HD1 ILE 37 3HD1 ILE 37 -1.870 -2.825 5.851 321 2HD1 ILE 37 2HD1 ILE 37 -1.403 -3.388 7.461 322 3HD1 ILE 37 1HD1 ILE 37 -2.959 -3.844 6.784 323 MG ILE 37 QG2 ILE 37 -3.089 -0.320 5.111 324 MD ILE 37 QD1 ILE 37 -2.077 -3.352 6.699 325 QG ILE 37 QG1 ILE 37 -2.620 -1.577 7.995 326 H VAL 38 H VAL 38 -6.730 -0.928 5.878 327 HA VAL 38 HA VAL 38 -6.695 1.084 3.987 328 HB VAL 38 HB VAL 38 -8.015 -0.977 3.631 329 1HG1 VAL 38 3HG1 VAL 38 -8.981 -1.271 5.806 330 2HG1 VAL 38 2HG1 VAL 38 -10.013 0.137 5.557 331 3HG1 VAL 38 1HG1 VAL 38 -10.223 -1.300 4.551 332 1HG2 VAL 38 3HG2 VAL 38 -9.656 1.535 3.349 333 2HG2 VAL 38 2HG2 VAL 38 -8.535 0.873 2.164 334 3HG2 VAL 38 1HG2 VAL 38 -10.014 0.006 2.550 335 MG1 VAL 38 QG1 VAL 38 -9.739 -0.811 5.305 336 MG2 VAL 38 QG2 VAL 38 -9.402 0.805 2.687 337 QG VAL 38 QQG VAL 38 -9.570 -0.003 3.996 338 H GLU 39 H GLU 39 -8.400 1.098 7.026 339 HA GLU 39 HA GLU 39 -9.814 3.524 6.648 340 1HB GLU 39 2HB GLU 39 -8.950 2.143 9.191 341 2HB GLU 39 1HB GLU 39 -10.147 3.416 9.095 342 1HG GLU 39 2HG GLU 39 -10.355 0.682 7.857 343 2HG GLU 39 1HG GLU 39 -11.174 1.228 9.318 344 QB GLU 39 QB GLU 39 -9.548 2.780 9.143 345 QG GLU 39 QG GLU 39 -10.765 0.955 8.587 346 H THR 40 H THR 40 -7.008 2.751 8.676 347 HA THR 40 HA THR 40 -6.426 5.333 9.514 348 HB THR 40 HB THR 40 -4.514 2.984 9.283 349 HG1 THR 40 1HG THR 40 -5.805 2.113 10.776 350 1HG2 THR 40 3HG2 THR 40 -3.414 5.143 9.807 351 2HG2 THR 40 2HG2 THR 40 -4.524 5.364 11.160 352 3HG2 THR 40 1HG2 THR 40 -3.364 4.037 11.183 353 MG THR 40 QG2 THR 40 -3.767 4.848 10.717 354 H SER 41 H SER 41 -5.283 3.570 6.659 355 HA SER 41 HA SER 41 -3.163 5.376 6.162 356 1HB SER 41 2HB SER 41 -2.880 4.182 4.024 357 2HB SER 41 1HB SER 41 -2.965 3.093 5.413 358 HG SER 41 HG SER 41 -4.948 2.457 4.812 359 QB SER 41 QB SER 41 -2.923 3.637 4.719 360 H GLN 42 H GLN 42 -6.325 4.934 4.514 361 HA GLN 42 HA GLN 42 -5.771 6.953 2.617 362 1HB GLN 42 2HB GLN 42 -8.038 6.808 1.926 363 2HB GLN 42 1HB GLN 42 -7.473 5.197 2.333 364 1HG GLN 42 2HG GLN 42 -8.587 5.451 4.538 365 2HG GLN 42 1HG GLN 42 -9.284 6.952 3.935 366 1HE2 GLN 42 1HE2 GLN 42 -10.610 4.652 4.785 367 2HE2 GLN 42 2HE2 GLN 42 -11.487 4.016 3.428 368 QB GLN 42 QB GLN 42 -7.755 6.002 2.129 369 QG GLN 42 QG GLN 42 -8.935 6.201 4.237 370 QE GLN 42 QE2 GLN 42 -11.048 4.334 4.107 371 H ALA 43 H ALA 43 -7.217 7.041 5.759 372 HA ALA 43 HA ALA 43 -8.237 9.671 5.540 373 1HB ALA 43 2HB ALA 43 -8.638 9.475 7.925 374 2HB ALA 43 3HB ALA 43 -7.533 8.092 8.018 375 3HB ALA 43 1HB ALA 43 -9.040 7.950 7.113 376 MB ALA 43 QB ALA 43 -8.404 8.506 7.685 377 H HIS 44 H HIS 44 -5.155 8.348 6.217 378 HA HIS 44 HA HIS 44 -4.026 10.887 7.146 379 1HB HIS 44 2HB HIS 44 -3.230 8.533 7.939 380 2HB HIS 44 1HB HIS 44 -2.606 8.410 6.293 381 HD1 HIS 44 1HD HIS 44 -1.870 10.015 9.590 382 HD2 HIS 44 2HD HIS 44 -0.256 9.891 5.753 383 HE1 HIS 44 1HE HIS 44 0.428 10.937 9.774 384 HE2 HIS 44 2HE HIS 44 1.417 10.835 7.555 385 QB HIS 44 QB HIS 44 -2.918 8.471 7.116 386 H ASN 45 H ASN 45 -4.034 8.768 4.339 387 HA ASN 45 HA ASN 45 -2.212 10.204 2.786 388 1HB ASN 45 2HB ASN 45 -4.456 8.366 1.924 389 2HB ASN 45 1HB ASN 45 -3.297 9.059 0.804 390 1HD2 ASN 45 1HD2 ASN 45 -3.784 6.251 1.406 391 2HD2 ASN 45 2HD2 ASN 45 -2.274 5.628 1.943 392 QB ASN 45 QB ASN 45 -3.876 8.713 1.364 393 QD ASN 45 QD2 ASN 45 -3.029 5.939 1.674 394 H ALA 46 H ALA 46 -5.742 10.400 2.934 395 HA ALA 46 HA ALA 46 -6.110 12.350 0.963 396 1HB ALA 46 3HB ALA 46 -8.232 12.812 2.064 397 2HB ALA 46 1HB ALA 46 -7.659 11.986 3.511 398 3HB ALA 46 2HB ALA 46 -7.937 11.075 2.018 399 MB ALA 46 QB ALA 46 -7.943 11.958 2.531 400 H ARG 47 H ARG 47 -5.412 12.599 4.381 401 HA ARG 47 HA ARG 47 -5.560 15.411 4.581 402 1HB ARG 47 2HB ARG 47 -5.643 13.778 6.514 403 2HB ARG 47 1HB ARG 47 -3.927 13.515 6.165 404 1HG ARG 47 2HG ARG 47 -3.338 15.722 6.750 405 2HG ARG 47 1HG ARG 47 -5.031 16.186 6.975 406 1HD ARG 47 2HD ARG 47 -5.215 14.676 8.859 407 2HD ARG 47 1HD ARG 47 -3.582 14.078 8.574 408 HE ARG 47 HE ARG 47 -3.536 16.868 8.944 409 1HH1 ARG 47 1HH1 ARG 47 -3.981 13.900 10.830 410 2HH1 ARG 47 2HH1 ARG 47 -3.334 14.546 12.265 411 1HH2 ARG 47 1HH2 ARG 47 -2.637 17.733 10.915 412 2HH2 ARG 47 2HH2 ARG 47 -2.555 16.801 12.318 413 QB ARG 47 QB ARG 47 -4.785 13.646 6.340 414 QG ARG 47 QG ARG 47 -4.184 15.954 6.862 415 QD ARG 47 QD ARG 47 -4.399 14.377 8.716 416 QH1 ARG 47 QH1 ARG 47 -3.657 14.223 11.548 417 QH2 ARG 47 QH2 ARG 47 -2.596 17.267 11.617 418 H ALA 48 H ALA 48 -2.866 13.129 4.176 419 HA ALA 48 HA ALA 48 -1.126 15.312 4.115 420 1HB ALA 48 1HB ALA 48 -0.387 13.251 5.154 421 2HB ALA 48 2HB ALA 48 0.691 13.799 3.866 422 3HB ALA 48 3HB ALA 48 -0.406 12.437 3.576 423 MB ALA 48 QB ALA 48 -0.034 13.162 4.199 424 H GLN 49 H GLN 49 -3.131 14.207 1.815 425 HA GLN 49 HA GLN 49 -3.511 14.883 -0.337 426 1HB GLN 49 2HB GLN 49 -0.783 16.122 -0.133 427 2HB GLN 49 1HB GLN 49 -1.967 16.479 -1.419 428 1HG GLN 49 2HG GLN 49 -3.224 17.713 0.039 429 2HG GLN 49 1HG GLN 49 -2.640 16.668 1.366 430 1HE2 GLN 49 1HE2 GLN 49 -0.840 17.124 2.425 431 2HE2 GLN 49 2HE2 GLN 49 0.125 18.521 2.280 432 QB GLN 49 QB GLN 49 -1.375 16.300 -0.776 433 QG GLN 49 QG GLN 49 -2.932 17.191 0.703 434 QE GLN 49 QE2 GLN 49 -0.357 17.822 2.352 435 H LEU 50 H LEU 50 -2.268 12.485 0.423 436 HA LEU 50 HA LEU 50 -0.561 11.667 -1.785 437 1HB LEU 50 2HB LEU 50 -1.401 10.445 0.781 438 2HB LEU 50 1HB LEU 50 -0.824 9.397 -0.498 439 HG LEU 50 HG LEU 50 1.270 10.525 -0.544 440 1HD1 LEU 50 3HD1 LEU 50 0.631 12.763 0.025 441 2HD1 LEU 50 2HD1 LEU 50 0.243 12.259 1.665 442 3HD1 LEU 50 1HD1 LEU 50 1.915 12.202 1.096 443 1HD2 LEU 50 1HD2 LEU 50 0.982 8.680 1.011 444 2HD2 LEU 50 3HD2 LEU 50 2.170 9.859 1.562 445 3HD2 LEU 50 2HD2 LEU 50 0.552 9.845 2.279 446 MD1 LEU 50 QD1 LEU 50 0.930 12.408 0.929 447 MD2 LEU 50 QD2 LEU 50 1.235 9.462 1.617 448 QB LEU 50 QB LEU 50 -1.113 9.921 0.141 449 QD LEU 50 QQD LEU 50 1.082 10.935 1.273 450 H THR 51 H THR 51 -1.100 10.476 -3.483 451 HA THR 51 HA THR 51 -3.773 9.356 -3.680 452 HB THR 51 HB THR 51 -3.451 9.693 -6.138 453 HG1 THR 51 1HG THR 51 -1.335 10.035 -6.658 454 1HG2 THR 51 1HG2 THR 51 -4.536 11.210 -4.588 455 2HG2 THR 51 3HG2 THR 51 -3.015 12.095 -4.407 456 3HG2 THR 51 2HG2 THR 51 -3.830 12.064 -5.992 457 MG THR 51 QG2 THR 51 -3.793 11.790 -4.995 458 H GLY 52 H GLY 52 -3.957 7.241 -4.614 459 1HA GLY 52 1HA GLY 52 -2.292 5.566 -3.224 460 2HA GLY 52 2HA GLY 52 -1.629 5.639 -4.850 461 QA GLY 52 QA GLY 52 -1.961 5.603 -4.037 462 H ALA 53 H ALA 53 -2.068 3.399 -4.346 463 HA ALA 53 HA ALA 53 -4.650 2.393 -4.161 464 1HB ALA 53 2HB ALA 53 -4.826 1.157 -6.309 465 2HB ALA 53 3HB ALA 53 -3.378 1.991 -6.882 466 3HB ALA 53 1HB ALA 53 -4.842 2.907 -6.548 467 MB ALA 53 QB ALA 53 -4.349 2.018 -6.580 468 H LEU 54 H LEU 54 -4.634 0.498 -3.331 469 HA LEU 54 HA LEU 54 -2.071 -0.902 -3.056 470 1HB LEU 54 2HB LEU 54 -2.993 0.086 -0.978 471 2HB LEU 54 1HB LEU 54 -4.508 -0.714 -1.239 472 HG LEU 54 HG LEU 54 -3.321 -1.713 0.612 473 1HD1 LEU 54 3HD1 LEU 54 -4.651 -3.299 -0.666 474 2HD1 LEU 54 2HD1 LEU 54 -3.253 -3.664 -1.653 475 3HD1 LEU 54 1HD1 LEU 54 -3.242 -4.068 0.055 476 1HD2 LEU 54 1HD2 LEU 54 -1.073 -2.201 -1.300 477 2HD2 LEU 54 3HD2 LEU 54 -1.098 -1.130 0.105 478 3HD2 LEU 54 2HD2 LEU 54 -1.182 -2.879 0.322 479 MD1 LEU 54 QD1 LEU 54 -3.715 -3.677 -0.754 480 MD2 LEU 54 QD2 LEU 54 -1.117 -2.070 -0.291 481 QB LEU 54 QB LEU 54 -3.751 -0.314 -1.108 482 QD LEU 54 QQD LEU 54 -2.416 -2.873 -0.523 483 H PHE 55 H PHE 55 -2.026 -2.836 -3.902 484 HA PHE 55 HA PHE 55 -4.516 -4.238 -4.558 485 1HB PHE 55 2HB PHE 55 -1.792 -4.477 -5.854 486 2HB PHE 55 1HB PHE 55 -3.229 -5.391 -6.297 487 HD1 PHE 55 1HD PHE 55 -5.192 -4.148 -7.248 488 HD2 PHE 55 2HD PHE 55 -1.376 -2.382 -6.717 489 HE1 PHE 55 1HE PHE 55 -5.780 -2.407 -8.877 490 HE2 PHE 55 2HE PHE 55 -1.943 -0.650 -8.372 491 HZ PHE 55 HZ PHE 55 -4.154 -0.654 -9.437 492 QB PHE 55 QB PHE 55 -2.511 -4.934 -6.075 493 QD PHE 55 QD PHE 55 -3.284 -3.265 -6.982 494 QE PHE 55 QE PHE 55 -3.861 -1.529 -8.625 495 QR PHE 55 QR PHE 55 -3.689 -2.048 -8.130 496 H TYR 56 H TYR 56 -4.691 -6.262 -3.751 497 HA TYR 56 HA TYR 56 -2.387 -7.532 -2.626 498 1HB TYR 56 2HB TYR 56 -3.309 -6.213 -0.723 499 2HB TYR 56 1HB TYR 56 -4.893 -6.892 -1.001 500 HD1 TYR 56 1HD TYR 56 -3.363 -9.821 -1.392 501 HD2 TYR 56 2HD TYR 56 -3.604 -6.861 1.652 502 HE1 TYR 56 1HE TYR 56 -2.945 -11.544 0.301 503 HE2 TYR 56 2HE TYR 56 -3.170 -8.584 3.351 504 HH TYR 56 HH TYR 56 -3.489 -11.011 3.559 505 QB TYR 56 QB TYR 56 -4.101 -6.552 -0.862 506 QD TYR 56 QD TYR 56 -3.484 -8.341 0.130 507 QE TYR 56 QE TYR 56 -3.057 -10.064 1.826 508 QR TYR 56 QR TYR 56 -3.271 -9.203 0.978 509 H SER 57 H SER 57 -2.614 -9.433 -3.783 510 HA SER 57 HA SER 57 -4.838 -11.088 -3.407 511 1HB SER 57 2HB SER 57 -5.345 -11.303 -5.871 512 2HB SER 57 1HB SER 57 -5.853 -9.764 -5.175 513 HG SER 57 HG SER 57 -4.879 -9.329 -7.039 514 QB SER 57 QB SER 57 -5.599 -10.533 -5.523 515 H GLN 58 H GLN 58 -4.250 -13.218 -4.085 516 HA GLN 58 HA GLN 58 -2.872 -14.934 -4.704 517 1HB GLN 58 2HB GLN 58 -1.448 -12.742 -6.214 518 2HB GLN 58 1HB GLN 58 -1.057 -14.445 -6.372 519 1HG GLN 58 2HG GLN 58 -3.210 -14.899 -7.332 520 2HG GLN 58 1HG GLN 58 -3.765 -13.269 -6.958 521 1HE2 GLN 58 1HE2 GLN 58 -3.606 -14.681 -9.512 522 2HE2 GLN 58 2HE2 GLN 58 -2.651 -13.679 -10.532 523 QB GLN 58 QB GLN 58 -1.253 -13.593 -6.293 524 QG GLN 58 QG GLN 58 -3.488 -14.084 -7.145 525 QE GLN 58 QE2 GLN 58 -3.129 -14.180 -10.022 526 H GLY 59 H GLY 59 -2.298 -12.979 -2.428 527 1HA GLY 59 1HA GLY 59 0.188 -14.210 -1.587 528 2HA GLY 59 2HA GLY 59 -0.862 -13.196 -0.609 529 QA GLY 59 QA GLY 59 -0.337 -13.703 -1.098 530 H VAL 60 H VAL 60 -0.208 -11.712 -3.577 531 HA VAL 60 HA VAL 60 2.234 -10.547 -2.539 532 HB VAL 60 HB VAL 60 2.680 -9.583 -4.686 533 1HG1 VAL 60 1HG1 VAL 60 1.782 -12.430 -5.015 534 2HG1 VAL 60 3HG1 VAL 60 2.852 -11.556 -6.115 535 3HG1 VAL 60 2HG1 VAL 60 3.351 -11.860 -4.450 536 1HG2 VAL 60 1HG2 VAL 60 -0.027 -10.592 -5.588 537 2HG2 VAL 60 3HG2 VAL 60 0.456 -8.901 -5.414 538 3HG2 VAL 60 2HG2 VAL 60 1.197 -9.915 -6.656 539 MG1 VAL 60 QG1 VAL 60 2.662 -11.949 -5.194 540 MG2 VAL 60 QG2 VAL 60 0.542 -9.802 -5.886 541 QG VAL 60 QQG VAL 60 1.602 -10.876 -5.540 542 H PHE 61 H PHE 61 2.437 -8.546 -1.860 543 HA PHE 61 HA PHE 61 -0.012 -6.954 -1.560 544 1HB PHE 61 2HB PHE 61 1.984 -7.802 0.102 545 2HB PHE 61 1HB PHE 61 2.516 -6.205 -0.376 546 HD1 PHE 61 1HD PHE 61 2.038 -7.069 2.303 547 HD2 PHE 61 2HD PHE 61 -0.611 -5.320 -0.495 548 HE1 PHE 61 1HE PHE 61 0.705 -6.188 4.134 549 HE2 PHE 61 2HE PHE 61 -1.953 -4.427 1.393 550 HZ PHE 61 HZ PHE 61 -1.226 -4.878 3.684 551 QB PHE 61 QB PHE 61 2.250 -7.003 -0.137 552 QD PHE 61 QD PHE 61 0.714 -6.194 0.904 553 QE PHE 61 QE PHE 61 -0.624 -5.308 2.764 554 QR PHE 61 QR PHE 61 -0.209 -5.576 2.204 555 H PHE 62 H PHE 62 -0.087 -5.138 -3.020 556 HA PHE 62 HA PHE 62 2.511 -3.994 -3.534 557 1HB PHE 62 2HB PHE 62 1.881 -5.163 -5.600 558 2HB PHE 62 1HB PHE 62 0.392 -4.216 -5.680 559 HD1 PHE 62 1HD PHE 62 0.466 -1.817 -6.299 560 HD2 PHE 62 2HD PHE 62 3.997 -4.191 -6.152 561 HE1 PHE 62 1HE PHE 62 1.705 -0.056 -7.525 562 HE2 PHE 62 2HE PHE 62 5.211 -2.452 -7.377 563 HZ PHE 62 HZ PHE 62 4.062 -0.396 -8.049 564 QB PHE 62 QB PHE 62 1.136 -4.690 -5.640 565 QD PHE 62 QD PHE 62 2.231 -3.004 -6.226 566 QE PHE 62 QE PHE 62 3.458 -1.254 -7.451 567 QR PHE 62 QR PHE 62 3.088 -1.783 -7.080 568 H GLN 63 H GLN 63 2.620 -1.862 -3.045 569 HA GLN 63 HA GLN 63 0.198 -0.290 -3.400 570 1HB GLN 63 2HB GLN 63 0.522 -0.877 -0.927 571 2HB GLN 63 1HB GLN 63 1.966 0.111 -1.011 572 1HG GLN 63 2HG GLN 63 0.443 1.929 -2.022 573 2HG GLN 63 1HG GLN 63 -0.873 0.984 -1.348 574 1HE2 GLN 63 1HE2 GLN 63 0.015 3.645 -0.787 575 2HE2 GLN 63 2HE2 GLN 63 0.327 3.692 0.916 576 QB GLN 63 QB GLN 63 1.244 -0.383 -0.969 577 QG GLN 63 QG GLN 63 -0.215 1.457 -1.685 578 QE GLN 63 QE2 GLN 63 0.171 3.669 0.064 579 H TRP 64 H TRP 64 0.666 1.753 -4.076 580 HA TRP 64 HA TRP 64 3.339 2.627 -3.622 581 1HB TRP 64 2HB TRP 64 3.789 3.273 -5.836 582 2HB TRP 64 1HB TRP 64 2.939 1.710 -6.041 583 HD1 TRP 64 HD TRP 64 3.121 5.219 -7.025 584 HE1 TRP 64 1HE TRP 64 1.214 5.825 -8.505 585 HE3 TRP 64 3HE TRP 64 0.268 1.102 -6.275 586 HZ2 TRP 64 2HZ TRP 64 -1.274 4.719 -9.299 587 HZ3 TRP 64 3HZ TRP 64 -1.874 0.958 -7.411 588 HH2 TRP 64 HH TRP 64 -2.636 2.721 -8.916 589 QB TRP 64 QB TRP 64 3.364 2.491 -5.938 590 H LEU 65 H LEU 65 3.383 4.982 -3.668 591 HA LEU 65 HA LEU 65 0.772 6.214 -3.443 592 1HB LEU 65 2HB LEU 65 1.330 7.268 -1.303 593 2HB LEU 65 1HB LEU 65 1.161 5.532 -1.181 594 HG LEU 65 HG LEU 65 3.834 6.785 -1.492 595 1HD1 LEU 65 3HD1 LEU 65 2.234 6.386 1.037 596 2HD1 LEU 65 2HD1 LEU 65 3.969 6.729 1.027 597 3HD1 LEU 65 1HD1 LEU 65 2.819 7.914 0.393 598 1HD2 LEU 65 2HD2 LEU 65 2.916 4.232 -0.150 599 2HD2 LEU 65 1HD2 LEU 65 3.734 4.361 -1.704 600 3HD2 LEU 65 3HD2 LEU 65 4.585 4.796 -0.221 601 MD1 LEU 65 QD1 LEU 65 3.007 7.010 0.819 602 MD2 LEU 65 QD2 LEU 65 3.745 4.463 -0.692 603 QB LEU 65 QB LEU 65 1.245 6.400 -1.242 604 QD LEU 65 QQD LEU 65 3.376 5.736 0.064 605 H GLU 66 H GLU 66 0.708 8.249 -3.992 606 HA GLU 66 HA GLU 66 3.216 9.494 -4.895 607 1HB GLU 66 2HB GLU 66 0.393 10.033 -5.806 608 2HB GLU 66 1HB GLU 66 1.879 10.437 -6.651 609 1HG GLU 66 2HG GLU 66 2.323 8.082 -7.048 610 2HG GLU 66 1HG GLU 66 0.876 7.647 -6.155 611 QB GLU 66 QB GLU 66 1.136 10.235 -6.229 612 QG GLU 66 QG GLU 66 1.599 7.864 -6.601 613 H GLY 67 H GLY 67 3.676 11.285 -3.677 614 1HA GLY 67 1HA GLY 67 2.363 11.952 -1.382 615 2HA GLY 67 2HA GLY 67 1.653 12.979 -2.634 616 QA GLY 67 QA GLY 67 2.008 12.466 -2.008 617 H HIS 68 H HIS 68 2.809 14.518 -0.919 618 HA HIS 68 HA HIS 68 5.178 15.545 -2.113 619 1HB HIS 68 2HB HIS 68 3.752 17.082 -0.894 620 2HB HIS 68 1HB HIS 68 3.843 16.132 0.559 621 HD1 HIS 68 1HD HIS 68 5.794 16.543 2.148 622 HD2 HIS 68 2HD HIS 68 5.783 18.527 -1.419 623 HE1 HIS 68 1HE HIS 68 7.727 18.024 2.376 624 HE2 HIS 68 2HE HIS 68 7.868 19.244 0.097 625 QB HIS 68 QB HIS 68 3.798 16.607 -0.167 626 HA PRO 69 HA PRO 69 8.352 12.649 -1.038 627 1HB PRO 69 2HB PRO 69 9.995 14.687 0.183 628 2HB PRO 69 1HB PRO 69 10.239 13.813 -1.323 629 1HG PRO 69 2HG PRO 69 9.056 16.461 -0.889 630 2HG PRO 69 1HG PRO 69 9.686 15.744 -2.384 631 1HD PRO 69 2HD PRO 69 7.071 16.192 -1.999 632 2HD PRO 69 1HD PRO 69 7.642 14.785 -2.916 633 QB PRO 69 QB PRO 69 10.117 14.250 -0.570 634 QG PRO 69 QG PRO 69 9.371 16.102 -1.636 635 QD PRO 69 QD PRO 69 7.356 15.488 -2.458 636 H ALA 70 H ALA 70 8.096 15.004 1.591 637 HA ALA 70 HA ALA 70 9.036 13.060 3.424 638 1HB ALA 70 1HB ALA 70 9.558 15.303 3.858 639 2HB ALA 70 2HB ALA 70 8.468 14.688 5.140 640 3HB ALA 70 3HB ALA 70 7.837 15.731 3.830 641 MB ALA 70 QB ALA 70 8.621 15.240 4.276 642 H ALA 71 H ALA 71 5.939 13.818 2.411 643 HA ALA 71 HA ALA 71 4.611 12.660 4.625 644 1HB ALA 71 1HB ALA 71 3.861 12.818 1.778 645 2HB ALA 71 3HB ALA 71 2.712 12.514 3.090 646 3HB ALA 71 2HB ALA 71 3.547 14.101 2.967 647 MB ALA 71 QB ALA 71 3.373 13.144 2.612 648 H VAL 72 H VAL 72 5.710 11.668 1.522 649 HA VAL 72 HA VAL 72 4.866 8.954 1.473 650 HB VAL 72 HB VAL 72 7.439 9.701 0.189 651 1HG1 VAL 72 1HG1 VAL 72 6.436 7.584 -0.210 652 2HG1 VAL 72 3HG1 VAL 72 4.976 8.417 -0.770 653 3HG1 VAL 72 2HG1 VAL 72 6.492 8.570 -1.696 654 1HG2 VAL 72 3HG2 VAL 72 4.851 10.959 -0.699 655 2HG2 VAL 72 2HG2 VAL 72 6.331 11.748 -0.125 656 3HG2 VAL 72 1HG2 VAL 72 6.349 10.881 -1.657 657 MG1 VAL 72 QG1 VAL 72 5.968 8.190 -0.892 658 MG2 VAL 72 QG2 VAL 72 5.844 11.196 -0.827 659 QG VAL 72 QQG VAL 72 5.906 9.693 -0.859 660 H ALA 73 H ALA 73 7.831 10.562 2.463 661 HA ALA 73 HA ALA 73 9.124 8.172 3.187 662 1HB ALA 73 3HB ALA 73 9.728 10.961 4.028 663 2HB ALA 73 2HB ALA 73 10.754 9.470 4.183 664 3HB ALA 73 1HB ALA 73 10.344 10.110 2.578 665 MB ALA 73 QB ALA 73 10.275 10.180 3.596 666 H GLU 74 H GLU 74 7.301 10.530 5.033 667 HA GLU 74 HA GLU 74 7.610 9.513 7.660 668 1HB GLU 74 2HB GLU 74 6.405 11.603 7.017 669 2HB GLU 74 1HB GLU 74 5.166 10.624 6.267 670 1HG GLU 74 2HG GLU 74 4.640 9.692 8.500 671 2HG GLU 74 1HG GLU 74 5.798 10.838 9.192 672 QB GLU 74 QB GLU 74 5.785 11.113 6.642 673 QG GLU 74 QG GLU 74 5.219 10.265 8.846 674 H VAL 75 H VAL 75 5.417 8.696 5.104 675 HA VAL 75 HA VAL 75 4.246 6.488 6.309 676 HB VAL 75 HB VAL 75 4.609 7.355 3.436 677 1HG1 VAL 75 1HG1 VAL 75 4.527 4.955 3.422 678 2HG1 VAL 75 3HG1 VAL 75 3.029 4.968 4.376 679 3HG1 VAL 75 2HG1 VAL 75 3.080 5.682 2.744 680 1HG2 VAL 75 2HG2 VAL 75 3.085 8.663 4.791 681 2HG2 VAL 75 1HG2 VAL 75 2.204 7.755 3.565 682 3HG2 VAL 75 3HG2 VAL 75 2.207 7.197 5.237 683 MG1 VAL 75 QG1 VAL 75 3.545 5.202 3.514 684 MG2 VAL 75 QG2 VAL 75 2.499 7.872 4.531 685 QG VAL 75 QQG VAL 75 3.022 6.537 4.023 686 H MET 76 H MET 76 7.054 6.648 3.981 687 HA MET 76 HA MET 76 7.728 4.023 3.987 688 1HB MET 76 2HB MET 76 9.599 6.376 3.869 689 2HB MET 76 1HB MET 76 10.058 4.752 3.453 690 1HG MET 76 2HG MET 76 7.803 6.052 2.182 691 2HG MET 76 1HG MET 76 9.426 6.435 1.551 692 1HE MET 76 3HE MET 76 6.478 4.273 2.003 693 2HE MET 76 2HE MET 76 6.679 2.827 0.985 694 3HE MET 76 1HE MET 76 7.521 2.969 2.550 695 QB MET 76 QB MET 76 9.829 5.564 3.661 696 QG MET 76 QG MET 76 8.614 6.244 1.866 697 ME MET 76 QE MET 76 6.893 3.356 1.846 698 H SER 77 H SER 77 8.983 6.445 6.280 699 HA SER 77 HA SER 77 10.694 4.717 7.671 700 1HB SER 77 2HB SER 77 9.106 6.982 8.913 701 2HB SER 77 1HB SER 77 10.654 6.335 9.456 702 HG SER 77 HG SER 77 10.958 7.045 6.936 703 QB SER 77 QB SER 77 9.880 6.658 9.184 704 H HIS 78 H HIS 78 7.293 5.378 8.239 705 HA HIS 78 HA HIS 78 7.119 3.530 10.431 706 1HB HIS 78 2HB HIS 78 4.989 4.675 8.640 707 2HB HIS 78 1HB HIS 78 4.646 3.498 9.900 708 HD1 HIS 78 1HD HIS 78 5.533 7.092 9.384 709 HD2 HIS 78 2HD HIS 78 4.840 4.461 12.519 710 HE1 HIS 78 1HE HIS 78 5.180 8.529 11.417 711 HE2 HIS 78 2HE HIS 78 4.430 6.884 13.178 712 QB HIS 78 QB HIS 78 4.818 4.086 9.270 713 H ILE 79 H ILE 79 6.559 3.188 7.040 714 HA ILE 79 HA ILE 79 5.610 0.517 7.119 715 HB ILE 79 HB ILE 79 6.265 2.550 5.119 716 1HG1 ILE 79 2HG1 ILE 79 3.929 0.688 5.469 717 2HG1 ILE 79 1HG1 ILE 79 4.046 2.369 5.972 718 1HG2 ILE 79 1HG2 ILE 79 6.517 -0.283 4.433 719 2HG2 ILE 79 3HG2 ILE 79 5.834 0.832 3.254 720 3HG2 ILE 79 2HG2 ILE 79 7.454 1.112 3.893 721 1HD1 ILE 79 3HD1 ILE 79 4.305 2.976 3.593 722 2HD1 ILE 79 2HD1 ILE 79 3.942 1.295 3.182 723 3HD1 ILE 79 1HD1 ILE 79 2.738 2.277 4.029 724 MG ILE 79 QG2 ILE 79 6.602 0.554 3.860 725 MD ILE 79 QD1 ILE 79 3.661 2.183 3.602 726 QG ILE 79 QG1 ILE 79 3.988 1.529 5.721 727 H GLN 80 H GLN 80 8.798 1.796 6.352 728 HA GLN 80 HA GLN 80 10.006 -0.712 6.049 729 1HB GLN 80 2HB GLN 80 11.124 2.049 6.520 730 2HB GLN 80 1HB GLN 80 12.074 0.646 6.027 731 1HG GLN 80 2HG GLN 80 9.836 1.931 4.365 732 2HG GLN 80 1HG GLN 80 11.494 1.997 4.017 733 1HE2 GLN 80 1HE2 GLN 80 8.867 -0.016 4.068 734 2HE2 GLN 80 2HE2 GLN 80 9.687 -1.187 3.075 735 QB GLN 80 QB GLN 80 11.599 1.348 6.274 736 QG GLN 80 QG GLN 80 10.665 1.964 4.191 737 QE GLN 80 QE2 GLN 80 9.277 -0.601 3.572 738 H ARG 81 H ARG 81 8.796 0.684 8.756 739 HA ARG 81 HA ARG 81 10.543 -0.893 10.518 740 1HB ARG 81 2HB ARG 81 8.334 1.110 11.072 741 2HB ARG 81 1HB ARG 81 9.039 0.128 12.334 742 1HG ARG 81 2HG ARG 81 10.454 2.194 10.684 743 2HG ARG 81 1HG ARG 81 9.926 2.303 12.369 744 1HD ARG 81 2HD ARG 81 11.420 0.465 12.966 745 2HD ARG 81 1HD ARG 81 11.957 0.378 11.290 746 HE ARG 81 HE ARG 81 12.361 2.967 12.092 747 1HH1 ARG 81 1HH1 ARG 81 13.506 -0.192 13.157 748 2HH1 ARG 81 2HH1 ARG 81 15.082 0.328 13.506 749 1HH2 ARG 81 1HH2 ARG 81 14.514 3.731 12.657 750 2HH2 ARG 81 2HH2 ARG 81 15.642 2.618 13.266 751 QB ARG 81 QB ARG 81 8.686 0.619 11.703 752 QG ARG 81 QG ARG 81 10.190 2.249 11.527 753 QD ARG 81 QD ARG 81 11.689 0.422 12.128 754 QH1 ARG 81 QH1 ARG 81 14.294 0.068 13.332 755 QH2 ARG 81 QH2 ARG 81 15.078 3.175 12.962 756 H ASP 82 H ASP 82 8.973 -1.926 8.484 757 HA ASP 82 HA ASP 82 6.624 -2.703 8.355 758 1HB ASP 82 2HB ASP 82 7.069 -4.819 7.701 759 2HB ASP 82 1HB ASP 82 8.163 -3.699 6.878 760 QB ASP 82 QB ASP 82 7.616 -4.259 7.289 761 H ARG 83 H ARG 83 5.073 -3.818 8.932 762 HA ARG 83 HA ARG 83 5.164 -5.447 11.352 763 1HB ARG 83 2HB ARG 83 3.385 -3.041 10.975 764 2HB ARG 83 1HB ARG 83 3.306 -4.149 12.338 765 1HG ARG 83 2HG ARG 83 5.499 -3.534 13.029 766 2HG ARG 83 1HG ARG 83 5.703 -2.594 11.554 767 1HD ARG 83 2HD ARG 83 3.888 -1.089 12.297 768 2HD ARG 83 1HD ARG 83 3.761 -2.004 13.802 769 HE ARG 83 HE ARG 83 6.307 -1.406 13.821 770 1HH1 ARG 83 1HH1 ARG 83 3.548 0.710 13.131 771 2HH1 ARG 83 2HH1 ARG 83 4.310 2.119 13.614 772 1HH2 ARG 83 1HH2 ARG 83 7.368 0.535 14.544 773 2HH2 ARG 83 2HH2 ARG 83 6.518 2.012 14.517 774 QB ARG 83 QB ARG 83 3.345 -3.595 11.656 775 QG ARG 83 QG ARG 83 5.601 -3.064 12.292 776 QD ARG 83 QD ARG 83 3.825 -1.546 13.050 777 QH1 ARG 83 QH1 ARG 83 3.929 1.414 13.372 778 QH2 ARG 83 QH2 ARG 83 6.943 1.274 14.531 779 H ARG 84 H ARG 84 2.634 -3.880 9.351 780 HA ARG 84 HA ARG 84 1.328 -6.470 9.232 781 1HB ARG 84 2HB ARG 84 0.326 -3.811 8.254 782 2HB ARG 84 1HB ARG 84 -0.600 -5.297 8.243 783 1HG ARG 84 2HG ARG 84 -1.460 -4.125 10.004 784 2HG ARG 84 1HG ARG 84 -0.290 -5.168 10.827 785 1HD ARG 84 2HD ARG 84 1.227 -3.290 11.006 786 2HD ARG 84 1HD ARG 84 0.164 -2.291 10.005 787 HE ARG 84 HE ARG 84 -1.097 -3.409 12.311 788 1HH1 ARG 84 1HH1 ARG 84 0.587 -0.487 11.078 789 2HH1 ARG 84 2HH1 ARG 84 0.101 0.497 12.369 790 1HH2 ARG 84 1HH2 ARG 84 -1.775 -1.981 14.067 791 2HH2 ARG 84 2HH2 ARG 84 -1.293 -0.364 14.080 792 QB ARG 84 QB ARG 84 -0.137 -4.554 8.248 793 QG ARG 84 QG ARG 84 -0.875 -4.647 10.415 794 QD ARG 84 QD ARG 84 0.695 -2.791 10.505 795 QH1 ARG 84 QH1 ARG 84 0.344 0.005 11.723 796 QH2 ARG 84 QH2 ARG 84 -1.534 -1.172 14.074 797 H HIS 85 H HIS 85 3.650 -6.484 7.637 798 HA HIS 85 HA HIS 85 2.673 -7.463 5.273 799 1HB HIS 85 2HB HIS 85 4.042 -5.981 3.727 800 2HB HIS 85 1HB HIS 85 2.501 -5.330 4.162 801 HD1 HIS 85 1HD HIS 85 3.416 -2.907 3.608 802 HD2 HIS 85 2HD HIS 85 5.507 -4.877 6.604 803 HE1 HIS 85 1HE HIS 85 4.934 -1.241 4.612 804 HE2 HIS 85 2HE HIS 85 6.237 -2.488 6.339 805 QB HIS 85 QB HIS 85 3.271 -5.655 3.945 806 H SER 86 H SER 86 4.506 -7.959 3.829 807 HA SER 86 HA SER 86 6.483 -9.235 5.372 808 1HB SER 86 2HB SER 86 5.278 -10.147 3.428 809 2HB SER 86 1HB SER 86 5.861 -8.937 2.459 810 HG SER 86 HG SER 86 7.303 -11.074 3.520 811 QB SER 86 QB SER 86 5.570 -9.542 2.943 812 H ASN 87 H ASN 87 8.395 -8.860 3.165 813 HA ASN 87 HA ASN 87 10.441 -7.416 4.154 814 1HB ASN 87 2HB ASN 87 9.913 -7.699 1.207 815 2HB ASN 87 1HB ASN 87 11.468 -7.328 1.931 816 1HD2 ASN 87 1HD2 ASN 87 10.736 -9.389 0.129 817 2HD2 ASN 87 2HD2 ASN 87 11.061 -10.891 0.913 818 QB ASN 87 QB ASN 87 10.690 -7.514 1.569 819 QD ASN 87 QD2 ASN 87 10.899 -10.140 0.521 820 H VAL 88 H VAL 88 7.973 -6.184 2.500 821 HA VAL 88 HA VAL 88 7.663 -4.457 1.215 822 HB VAL 88 HB VAL 88 6.693 -3.934 3.132 823 1HG1 VAL 88 2HG1 VAL 88 8.389 -4.173 4.667 824 2HG1 VAL 88 1HG1 VAL 88 9.155 -2.601 4.236 825 3HG1 VAL 88 3HG1 VAL 88 7.486 -2.629 4.889 826 1HG2 VAL 88 1HG2 VAL 88 6.713 -2.178 1.432 827 2HG2 VAL 88 3HG2 VAL 88 6.448 -1.570 3.042 828 3HG2 VAL 88 2HG2 VAL 88 8.019 -1.352 2.306 829 MG1 VAL 88 QG1 VAL 88 8.343 -3.134 4.597 830 MG2 VAL 88 QG2 VAL 88 7.060 -1.700 2.260 831 QG VAL 88 QQG VAL 88 7.702 -2.417 3.429 832 H GLU 89 H GLU 89 9.029 -4.842 -0.157 833 HA GLU 89 HA GLU 89 11.474 -3.300 -0.271 834 1HB GLU 89 2HB GLU 89 10.159 -5.256 -2.081 835 2HB GLU 89 1HB GLU 89 11.706 -4.527 -2.459 836 1HG GLU 89 2HG GLU 89 12.787 -5.620 -0.761 837 2HG GLU 89 1HG GLU 89 11.267 -5.917 0.083 838 QB GLU 89 QB GLU 89 10.932 -4.891 -2.270 839 QG GLU 89 QG GLU 89 12.027 -5.768 -0.339 840 H ILE 90 H ILE 90 10.456 -1.322 -0.266 841 HA ILE 90 HA ILE 90 8.944 -0.032 -2.248 842 HB ILE 90 HB ILE 90 11.577 1.120 -1.441 843 1HG1 ILE 90 2HG1 ILE 90 10.908 0.209 0.656 844 2HG1 ILE 90 1HG1 ILE 90 10.631 1.941 0.707 845 1HG2 ILE 90 3HG2 ILE 90 8.809 2.330 -1.612 846 2HG2 ILE 90 2HG2 ILE 90 10.234 3.216 -1.177 847 3HG2 ILE 90 1HG2 ILE 90 10.091 2.547 -2.812 848 1HD1 ILE 90 1HD1 ILE 90 8.280 1.560 0.256 849 2HD1 ILE 90 3HD1 ILE 90 8.578 -0.177 0.261 850 3HD1 ILE 90 2HD1 ILE 90 8.820 0.762 1.746 851 MG ILE 90 QG2 ILE 90 9.711 2.698 -1.867 852 MD ILE 90 QD1 ILE 90 8.560 0.715 0.754 853 QG ILE 90 QG1 ILE 90 10.769 1.075 0.682 854 H LEU 91 H LEU 91 12.253 -0.088 -2.333 855 HA LEU 91 HA LEU 91 13.832 -0.311 -3.909 856 1HB LEU 91 2HB LEU 91 11.726 -1.877 -5.387 857 2HB LEU 91 1HB LEU 91 13.413 -1.783 -5.856 858 HG LEU 91 HG LEU 91 12.375 -3.014 -3.276 859 1HD1 LEU 91 1HD1 LEU 91 11.830 -4.315 -5.263 860 2HD1 LEU 91 3HD1 LEU 91 13.522 -4.268 -5.761 861 3HD1 LEU 91 2HD1 LEU 91 13.056 -5.111 -4.279 862 1HD2 LEU 91 2HD2 LEU 91 15.148 -2.872 -4.447 863 2HD2 LEU 91 1HD2 LEU 91 14.597 -2.019 -3.009 864 3HD2 LEU 91 3HD2 LEU 91 14.676 -3.782 -3.015 865 MD1 LEU 91 QD1 LEU 91 12.803 -4.565 -5.101 866 MD2 LEU 91 QD2 LEU 91 14.807 -2.891 -3.490 867 QB LEU 91 QB LEU 91 12.569 -1.830 -5.622 868 QD LEU 91 QQD LEU 91 13.805 -3.728 -4.296 869 H ALA 92 H ALA 92 10.804 1.048 -4.855 870 HA ALA 92 HA ALA 92 12.291 2.626 -6.849 871 1HB ALA 92 3HB ALA 92 10.868 1.091 -8.035 872 2HB ALA 92 1HB ALA 92 10.266 2.740 -8.215 873 3HB ALA 92 2HB ALA 92 9.472 1.623 -7.095 874 MB ALA 92 QB ALA 92 10.202 1.818 -7.781 875 H GLU 93 H GLU 93 12.484 4.587 -6.126 876 HA GLU 93 HA GLU 93 10.101 5.915 -5.071 877 1HB GLU 93 2HB GLU 93 12.951 6.487 -4.121 878 2HB GLU 93 1HB GLU 93 11.430 7.166 -3.546 879 1HG GLU 93 2HG GLU 93 10.750 5.244 -2.580 880 2HG GLU 93 1HG GLU 93 12.098 4.307 -3.249 881 QB GLU 93 QB GLU 93 12.191 6.826 -3.834 882 QG GLU 93 QG GLU 93 11.424 4.776 -2.914 883 H GLU 94 H GLU 94 9.573 7.283 -6.622 884 HA GLU 94 HA GLU 94 11.728 8.590 -8.124 885 1HB GLU 94 2HB GLU 94 10.055 8.712 -10.023 886 2HB GLU 94 1HB GLU 94 10.692 7.118 -9.662 887 1HG GLU 94 2HG GLU 94 8.656 6.537 -8.474 888 2HG GLU 94 1HG GLU 94 8.015 8.160 -8.736 889 QB GLU 94 QB GLU 94 10.373 7.915 -9.843 890 QG GLU 94 QG GLU 94 8.336 7.348 -8.605 891 H SER 95 H SER 95 11.642 10.753 -8.396 892 HA SER 95 HA SER 95 9.793 12.281 -6.856 893 1HB SER 95 2HB SER 95 11.078 14.163 -8.027 894 2HB SER 95 1HB SER 95 12.012 13.080 -6.988 895 HG SER 95 HG SER 95 12.126 13.445 -9.722 896 QB SER 95 QB SER 95 11.545 13.621 -7.508 897 H ILE 96 H ILE 96 7.896 12.982 -7.498 898 HA ILE 96 HA ILE 96 7.319 12.922 -10.399 899 HB ILE 96 HB ILE 96 5.099 12.316 -9.975 900 1HG1 ILE 96 2HG1 ILE 96 5.913 11.442 -7.221 901 2HG1 ILE 96 1HG1 ILE 96 5.169 13.005 -7.519 902 1HG2 ILE 96 2HG2 ILE 96 6.728 10.678 -10.682 903 2HG2 ILE 96 1HG2 ILE 96 7.148 10.327 -9.009 904 3HG2 ILE 96 3HG2 ILE 96 5.546 9.899 -9.620 905 1HD1 ILE 96 1HD1 ILE 96 3.878 10.414 -8.301 906 2HD1 ILE 96 3HD1 ILE 96 3.709 11.188 -6.724 907 3HD1 ILE 96 2HD1 ILE 96 3.162 12.043 -8.152 908 MG ILE 96 QG2 ILE 96 6.474 10.301 -9.770 909 MD ILE 96 QD1 ILE 96 3.583 11.215 -7.726 910 QG ILE 96 QG1 ILE 96 5.541 12.223 -7.370 911 H ALA 97 H ALA 97 5.406 14.049 -11.096 912 HA ALA 97 HA ALA 97 5.030 16.492 -9.551 913 1HB ALA 97 3HB ALA 97 5.784 16.742 -11.912 914 2HB ALA 97 2HB ALA 97 4.273 15.904 -12.354 915 3HB ALA 97 1HB ALA 97 4.195 17.490 -11.589 916 MB ALA 97 QB ALA 97 4.751 16.712 -11.952 917 H LYS 98 H LYS 98 3.954 13.755 -9.895 918 HA LYS 98 HA LYS 98 2.136 12.501 -9.626 919 1HB LYS 98 2HB LYS 98 2.364 14.008 -7.724 920 2HB LYS 98 1HB LYS 98 1.110 14.976 -8.433 921 1HG LYS 98 2HG LYS 98 0.208 12.333 -8.394 922 2HG LYS 98 1HG LYS 98 1.186 12.636 -7.025 923 1HD LYS 98 2HD LYS 98 -0.553 14.816 -7.302 924 2HD LYS 98 1HD LYS 98 -1.441 13.292 -6.978 925 1HE LYS 98 2HE LYS 98 0.106 12.824 -5.330 926 2HE LYS 98 1HE LYS 98 0.931 14.367 -5.603 927 1HZ LYS 98 1HZ LYS 98 -1.942 14.184 -4.768 928 2HZ LYS 98 3HZ LYS 98 -0.740 14.486 -3.664 929 3HZ LYS 98 2HZ LYS 98 -1.053 15.590 -4.881 930 QB LYS 98 QB LYS 98 1.737 14.492 -8.078 931 QD LYS 98 QD LYS 98 -0.997 14.054 -7.140 932 QG LYS 98 QG LYS 98 0.697 12.484 -7.710 933 QE LYS 98 QE LYS 98 0.518 13.595 -5.466 934 QZ LYS 98 QZ LYS 98 -1.245 14.753 -4.438 935 H ARG 99 H ARG 99 -0.435 13.274 -9.659 936 HA ARG 99 HA ARG 99 -2.222 13.714 -10.951 937 1HB ARG 99 2HB ARG 99 -0.246 14.965 -12.848 938 2HB ARG 99 1HB ARG 99 -1.890 14.666 -13.394 939 1HG ARG 99 2HG ARG 99 -1.713 16.938 -12.700 940 2HG ARG 99 1HG ARG 99 -2.666 16.089 -11.489 941 1HD ARG 99 2HD ARG 99 -0.608 15.895 -10.099 942 2HD ARG 99 1HD ARG 99 0.241 16.878 -11.294 943 HE ARG 99 HE ARG 99 -1.978 18.297 -10.628 944 1HH1 ARG 99 1HH1 ARG 99 0.942 17.203 -8.963 945 2HH1 ARG 99 2HH1 ARG 99 0.752 18.265 -7.628 946 1HH2 ARG 99 1HH2 ARG 99 -2.182 19.793 -8.863 947 2HH2 ARG 99 2HH2 ARG 99 -1.048 19.790 -7.590 948 QB ARG 99 QB ARG 99 -1.068 14.816 -13.121 949 QG ARG 99 QG ARG 99 -2.190 16.513 -12.094 950 QD ARG 99 QD ARG 99 -0.183 16.387 -10.697 951 QH1 ARG 99 QH1 ARG 99 0.847 17.734 -8.296 952 QH2 ARG 99 QH2 ARG 99 -1.615 19.791 -8.226 953 H ARG 100 H ARG 100 -2.206 11.515 -10.624 954 HA ARG 100 HA ARG 100 -2.502 10.091 -13.145 955 1HB ARG 100 2HB ARG 100 -1.117 8.906 -10.715 956 2HB ARG 100 1HB ARG 100 -1.515 8.046 -12.187 957 1HG ARG 100 2HG ARG 100 0.115 9.411 -13.408 958 2HG ARG 100 1HG ARG 100 0.515 10.259 -11.909 959 1HD ARG 100 2HD ARG 100 1.047 8.056 -10.898 960 2HD ARG 100 1HD ARG 100 0.820 7.328 -12.476 961 HE ARG 100 HE ARG 100 2.667 8.885 -13.194 962 1HH1 ARG 100 1HH1 ARG 100 2.407 7.789 -9.830 963 2HH1 ARG 100 2HH1 ARG 100 4.082 7.626 -9.578 964 1HH2 ARG 100 1HH2 ARG 100 4.950 8.714 -12.874 965 2HH2 ARG 100 2HH2 ARG 100 5.624 8.156 -11.408 966 QB ARG 100 QB ARG 100 -1.316 8.476 -11.451 967 QG ARG 100 QG ARG 100 0.315 9.835 -12.658 968 QD ARG 100 QD ARG 100 0.933 7.692 -11.687 969 QH1 ARG 100 QH1 ARG 100 3.245 7.707 -9.704 970 QH2 ARG 100 QH2 ARG 100 5.287 8.435 -12.141 971 H PHE 101 H PHE 101 -2.613 9.637 -9.607 972 HA PHE 101 HA PHE 101 -5.420 8.897 -9.842 973 1HB PHE 101 2HB PHE 101 -3.260 8.126 -7.873 974 2HB PHE 101 1HB PHE 101 -4.966 7.932 -7.490 975 HD1 PHE 101 1HD PHE 101 -5.918 5.902 -7.907 976 HD2 PHE 101 2HD PHE 101 -2.565 7.074 -10.234 977 HE1 PHE 101 1HE PHE 101 -5.970 3.736 -9.055 978 HE2 PHE 101 2HE PHE 101 -2.604 4.901 -11.388 979 HZ PHE 101 HZ PHE 101 -4.312 3.233 -10.800 980 QB PHE 101 QB PHE 101 -4.113 8.029 -7.681 981 QD PHE 101 QD PHE 101 -4.241 6.488 -9.070 982 QE PHE 101 QE PHE 101 -4.287 4.319 -10.222 983 QR PHE 101 QR PHE 101 -4.274 4.969 -9.877 984 H ALA 102 H ALA 102 -6.811 9.790 -8.133 985 HA ALA 102 HA ALA 102 -5.667 12.273 -7.069 986 1HB ALA 102 2HB ALA 102 -7.402 12.708 -8.731 987 2HB ALA 102 3HB ALA 102 -7.937 13.210 -7.126 988 3HB ALA 102 1HB ALA 102 -8.537 11.705 -7.818 989 MB ALA 102 QB ALA 102 -7.959 12.541 -7.892 990 H GLY 103 H GLY 103 -6.744 9.291 -6.258 991 1HA GLY 103 1HA GLY 103 -8.094 9.242 -4.002 992 2HA GLY 103 2HA GLY 103 -6.619 10.044 -3.471 993 QA GLY 103 QA GLY 103 -7.356 9.643 -3.736 994 H TRP 104 H TRP 104 -6.243 8.220 -2.136 995 HA TRP 104 HA TRP 104 -4.920 6.060 -3.513 996 1HB TRP 104 2HB TRP 104 -3.732 6.859 -1.582 997 2HB TRP 104 1HB TRP 104 -5.171 6.819 -0.595 998 HD1 TRP 104 HD TRP 104 -2.149 4.722 -1.496 999 HE1 TRP 104 1HE TRP 104 -2.311 2.489 -0.192 1000 HE3 TRP 104 3HE TRP 104 -6.957 5.058 0.201 1001 HZ2 TRP 104 2HZ TRP 104 -4.268 1.118 1.339 1002 HZ3 TRP 104 3HZ TRP 104 -7.856 3.455 1.442 1003 HH2 TRP 104 HH TRP 104 -6.662 1.491 2.067 1004 QB TRP 104 QB TRP 104 -4.451 6.839 -1.089 1005 H HIS 105 H HIS 105 -5.541 3.975 -3.622 1006 HA HIS 105 HA HIS 105 -8.359 3.420 -2.974 1007 1HB HIS 105 2HB HIS 105 -6.627 2.670 -5.284 1008 2HB HIS 105 1HB HIS 105 -8.212 1.924 -5.012 1009 HD1 HIS 105 1HD HIS 105 -6.503 5.041 -6.182 1010 HD2 HIS 105 2HD HIS 105 -10.368 3.633 -5.605 1011 HE1 HIS 105 1HE HIS 105 -7.985 6.629 -7.399 1012 HE2 HIS 105 2HE HIS 105 -10.287 5.954 -6.687 1013 QB HIS 105 QB HIS 105 -7.420 2.297 -5.148 1014 H MET 106 H MET 106 -8.765 1.070 -2.653 1015 HA MET 106 HA MET 106 -6.452 -0.610 -2.370 1016 1HB MET 106 2HB MET 106 -6.596 0.466 -0.148 1017 2HB MET 106 1HB MET 106 -8.252 -0.090 0.016 1018 1HG MET 106 2HG MET 106 -7.573 -2.351 0.167 1019 2HG MET 106 1HG MET 106 -5.942 -1.953 -0.358 1020 1HE MET 106 3HE MET 106 -4.919 -3.361 1.684 1021 2HE MET 106 2HE MET 106 -5.377 -3.100 3.367 1022 3HE MET 106 1HE MET 106 -6.546 -3.768 2.228 1023 QB MET 106 QB MET 106 -7.424 0.188 -0.066 1024 QG MET 106 QG MET 106 -6.758 -2.152 -0.096 1025 ME MET 106 QE MET 106 -5.614 -3.410 2.426 1026 H GLN 107 H GLN 107 -6.886 -2.611 -2.896 1027 HA GLN 107 HA GLN 107 -9.357 -3.333 -3.994 1028 1HB GLN 107 2HB GLN 107 -7.056 -5.079 -3.130 1029 2HB GLN 107 1HB GLN 107 -8.437 -5.653 -4.055 1030 1HG GLN 107 2HG GLN 107 -6.507 -3.522 -4.930 1031 2HG GLN 107 1HG GLN 107 -6.520 -5.196 -5.492 1032 1HE2 GLN 107 1HE2 GLN 107 -8.183 -5.864 -6.824 1033 2HE2 GLN 107 2HE2 GLN 107 -9.192 -4.768 -7.686 1034 QB GLN 107 QB GLN 107 -7.746 -5.366 -3.593 1035 QG GLN 107 QG GLN 107 -6.513 -4.359 -5.211 1036 QE GLN 107 QE2 GLN 107 -8.688 -5.316 -7.255 1037 H LEU 108 H LEU 108 -7.968 -4.132 -0.848 1038 HA LEU 108 HA LEU 108 -10.472 -5.421 -0.093 1039 1HB LEU 108 2HB LEU 108 -7.906 -5.132 1.482 1040 2HB LEU 108 1HB LEU 108 -9.295 -6.083 1.946 1041 HG LEU 108 HG LEU 108 -7.451 -6.636 -0.376 1042 1HD1 LEU 108 2HD1 LEU 108 -6.447 -7.101 1.790 1043 2HD1 LEU 108 1HD1 LEU 108 -7.842 -8.078 2.239 1044 3HD1 LEU 108 3HD1 LEU 108 -6.792 -8.595 0.921 1045 1HD2 LEU 108 1HD2 LEU 108 -9.829 -8.208 0.629 1046 2HD2 LEU 108 3HD2 LEU 108 -9.731 -7.330 -0.899 1047 3HD2 LEU 108 2HD2 LEU 108 -8.701 -8.729 -0.625 1048 MD1 LEU 108 QD1 LEU 108 -7.027 -7.925 1.650 1049 MD2 LEU 108 QD2 LEU 108 -9.420 -8.089 -0.299 1050 QB LEU 108 QB LEU 108 -8.600 -5.608 1.714 1051 QD LEU 108 QQD LEU 108 -8.224 -8.007 0.676 1052 H SER 109 H SER 109 -11.842 -3.715 0.135 1053 HA SER 109 HA SER 109 -11.084 -1.749 2.170 1054 1HB SER 109 2HB SER 109 -11.203 -0.732 -0.083 1055 2HB SER 109 1HB SER 109 -12.850 -1.328 -0.267 1056 HG SER 109 HG SER 109 -12.116 0.332 1.887 1057 QB SER 109 QB SER 109 -12.026 -1.030 -0.175 1058 H CYS 110 H CYS 110 -13.842 -3.327 0.610 1059 HA CYS 110 HA CYS 110 -15.054 -3.695 3.243 1060 1HB CYS 110 2HB CYS 110 -17.253 -2.928 2.270 1061 2HB CYS 110 1HB CYS 110 -16.061 -1.658 2.540 1062 HG CYS 110 HG CYS 110 -16.162 -0.726 0.184 1063 QB CYS 110 QB CYS 110 -16.657 -2.293 2.405 1064 H SER 111 H SER 111 -14.639 -4.596 -0.045 1065 HA SER 111 HA SER 111 -15.114 -6.220 -1.364 1066 1HB SER 111 2HB SER 111 -15.442 -8.555 -0.502 1067 2HB SER 111 1HB SER 111 -14.065 -7.753 0.241 1068 HG SER 111 HG SER 111 -15.941 -7.194 1.828 1069 QB SER 111 QB SER 111 -14.753 -8.154 -0.130 1070 H GLU 112 H GLU 112 -16.886 -7.795 -2.111 1071 HA GLU 112 HA GLU 112 -19.218 -6.134 -2.069 1072 1HB GLU 112 2HB GLU 112 -18.598 -8.634 -3.625 1073 2HB GLU 112 1HB GLU 112 -20.052 -7.658 -3.839 1074 1HG GLU 112 2HG GLU 112 -18.722 -5.756 -4.483 1075 2HG GLU 112 1HG GLU 112 -17.240 -6.659 -4.192 1076 QB GLU 112 QB GLU 112 -19.325 -8.146 -3.732 1077 QG GLU 112 QG GLU 112 -17.981 -6.207 -4.337 1078 H ALA 113 H ALA 113 -18.177 -8.959 -0.510 1079 HA ALA 113 HA ALA 113 -19.114 -10.468 0.925 1080 1HB ALA 113 2HB ALA 113 -21.202 -8.307 1.286 1081 2HB ALA 113 1HB ALA 113 -20.890 -9.652 2.389 1082 3HB ALA 113 3HB ALA 113 -19.676 -8.394 2.155 1083 MB ALA 113 QB ALA 113 -20.589 -8.784 1.943 1084 H ASP 114 H ASP 114 -19.892 -10.420 -1.849 1085 HA ASP 114 HA ASP 114 -22.430 -11.873 -1.635 1086 1HB ASP 114 2HB ASP 114 -22.949 -9.793 -2.695 1087 2HB ASP 114 1HB ASP 114 -21.607 -9.968 -3.818 1088 QB ASP 114 QB ASP 114 -22.278 -9.881 -3.257 1089 H MET 115 H MET 115 -19.459 -11.461 -3.544 1090 HA MET 115 HA MET 115 -19.706 -13.862 -4.982 1091 1HB MET 115 2HB MET 115 -18.030 -12.112 -5.521 1092 2HB MET 115 1HB MET 115 -17.160 -12.500 -4.046 1093 1HG MET 115 2HG MET 115 -16.064 -13.506 -5.964 1094 2HG MET 115 1HG MET 115 -16.712 -14.751 -4.902 1095 1HE MET 115 1HE MET 115 -16.435 -16.565 -6.805 1096 2HE MET 115 3HE MET 115 -17.075 -16.382 -8.442 1097 3HE MET 115 2HE MET 115 -15.770 -15.337 -7.883 1098 QB MET 115 QB MET 115 -17.595 -12.306 -4.783 1099 QG MET 115 QG MET 115 -16.388 -14.129 -5.433 1100 ME MET 115 QE MET 115 -16.427 -16.095 -7.710 1101 H ARG 116 H ARG 116 -17.985 -13.056 -2.025 1102 HA ARG 116 HA ARG 116 -17.532 -14.091 -0.113 1103 1HB ARG 116 2HB ARG 116 -19.704 -15.974 -0.966 1104 2HB ARG 116 1HB ARG 116 -19.012 -15.902 0.655 1105 1HG ARG 116 2HG ARG 116 -19.801 -13.640 0.920 1106 2HG ARG 116 1HG ARG 116 -20.393 -13.626 -0.741 1107 1HD ARG 116 2HD ARG 116 -21.940 -15.442 -0.176 1108 2HD ARG 116 1HD ARG 116 -21.373 -15.393 1.491 1109 HE ARG 116 HE ARG 116 -22.317 -12.875 0.476 1110 1HH1 ARG 116 1HH1 ARG 116 -23.113 -15.754 2.309 1111 2HH1 ARG 116 2HH1 ARG 116 -24.600 -15.158 2.886 1112 1HH2 ARG 116 1HH2 ARG 116 -24.321 -12.022 1.241 1113 2HH2 ARG 116 2HH2 ARG 116 -25.296 -12.956 2.262 1114 QB ARG 116 QB ARG 116 -19.358 -15.938 -0.156 1115 QG ARG 116 QG ARG 116 -20.097 -13.633 0.089 1116 QD ARG 116 QD ARG 116 -21.656 -15.418 0.657 1117 QH1 ARG 116 QH1 ARG 116 -23.857 -15.456 2.597 1118 QH2 ARG 116 QH2 ARG 116 -24.809 -12.489 1.752 1119 H SER 117 H SER 117 -17.754 -16.437 -2.704 1120 HA SER 117 HA SER 117 -16.525 -18.640 -1.786 1121 1HB SER 117 2HB SER 117 -17.518 -18.355 -4.042 1122 2HB SER 117 1HB SER 117 -16.105 -17.423 -4.527 1123 HG SER 117 HG SER 117 -14.869 -19.214 -4.422 1124 QB SER 117 QB SER 117 -16.811 -17.889 -4.285 1125 H LEU 118 H LEU 118 -14.905 -15.745 -2.875 1126 HA LEU 118 HA LEU 118 -12.291 -16.540 -2.962 1127 1HB LEU 118 2HB LEU 118 -11.838 -14.084 -2.406 1128 2HB LEU 118 1HB LEU 118 -12.657 -14.507 -3.906 1129 HG LEU 118 HG LEU 118 -14.831 -13.932 -2.667 1130 1HD1 LEU 118 2HD1 LEU 118 -14.005 -13.968 -0.392 1131 2HD1 LEU 118 1HD1 LEU 118 -12.937 -12.617 -0.744 1132 3HD1 LEU 118 3HD1 LEU 118 -14.685 -12.388 -0.802 1133 1HD2 LEU 118 2HD2 LEU 118 -13.880 -12.509 -4.381 1134 2HD2 LEU 118 1HD2 LEU 118 -14.586 -11.549 -3.079 1135 3HD2 LEU 118 3HD2 LEU 118 -12.834 -11.741 -3.180 1136 MD1 LEU 118 QD1 LEU 118 -13.876 -12.991 -0.646 1137 MD2 LEU 118 QD2 LEU 118 -13.766 -11.933 -3.547 1138 QB LEU 118 QB LEU 118 -12.248 -14.296 -3.156 1139 QD LEU 118 QQD LEU 118 -13.821 -12.462 -2.096 1140 H GLY 119 H GLY 119 -14.109 -15.922 -0.089 1141 1HA GLY 119 1HA GLY 119 -12.737 -15.319 1.981 1142 2HA GLY 119 2HA GLY 119 -11.665 -16.602 1.431 1143 QA GLY 119 QA GLY 119 -12.201 -15.961 1.706 1144 H LEU 120 H LEU 120 -14.892 -17.152 0.816 1145 HA LEU 120 HA LEU 120 -15.428 -18.499 3.375 1146 1HB LEU 120 2HB LEU 120 -17.126 -16.976 2.369 1147 2HB LEU 120 1HB LEU 120 -17.180 -18.074 0.998 1148 HG LEU 120 HG LEU 120 -18.046 -19.855 2.448 1149 1HD1 LEU 120 3HD1 LEU 120 -18.179 -17.701 4.543 1150 2HD1 LEU 120 2HD1 LEU 120 -18.907 -19.301 4.672 1151 3HD1 LEU 120 1HD1 LEU 120 -17.151 -19.134 4.581 1152 1HD2 LEU 120 1HD2 LEU 120 -19.556 -18.470 1.137 1153 2HD2 LEU 120 3HD2 LEU 120 -20.299 -18.924 2.670 1154 3HD2 LEU 120 2HD2 LEU 120 -19.645 -17.301 2.449 1155 MD1 LEU 120 QD1 LEU 120 -18.079 -18.712 4.599 1156 MD2 LEU 120 QD2 LEU 120 -19.833 -18.232 2.086 1157 QB LEU 120 QB LEU 120 -17.153 -17.525 1.684 1158 QD LEU 120 QQD LEU 120 -18.956 -18.472 3.342 1159 H ALA 121 H ALA 121 -15.422 -19.182 -0.124 1160 HA ALA 121 HA ALA 121 -15.970 -21.917 0.494 1161 1HB ALA 121 1HB ALA 121 -16.066 -20.565 -2.195 1162 2HB ALA 121 2HB ALA 121 -17.447 -20.802 -1.126 1163 3HB ALA 121 3HB ALA 121 -16.631 -22.190 -1.840 1164 MB ALA 121 QB ALA 121 -16.714 -21.186 -1.721 1165 H GLU 122 H GLU 122 -13.545 -20.838 0.934 1166 HA GLU 122 HA GLU 122 -11.794 -22.435 -0.804 1167 1HB GLU 122 2HB GLU 122 -11.353 -19.982 -1.047 1168 2HB GLU 122 1HB GLU 122 -11.077 -19.885 0.684 1169 1HG GLU 122 2HG GLU 122 -9.149 -21.366 0.467 1170 2HG GLU 122 1HG GLU 122 -9.437 -21.478 -1.271 1171 QB GLU 122 QB GLU 122 -11.215 -19.933 -0.182 1172 QG GLU 122 QG GLU 122 -9.293 -21.422 -0.402 1173 H SER 123 H SER 123 -11.288 -24.198 0.370 1174 HA SER 123 HA SER 123 -11.646 -24.038 3.213 1175 1HB SER 123 2HB SER 123 -11.387 -26.508 3.142 1176 2HB SER 123 1HB SER 123 -12.688 -25.904 2.120 1177 HG SER 123 HG SER 123 -11.711 -26.639 0.439 1178 QB SER 123 QB SER 123 -12.038 -26.206 2.631 1179 H ARG 124 H ARG 124 -10.188 -24.491 4.708 1180 HA ARG 124 HA ARG 124 -7.494 -25.099 4.058 1181 1HB ARG 124 2HB ARG 124 -6.573 -23.247 5.465 1182 2HB ARG 124 1HB ARG 124 -7.369 -22.629 4.036 1183 1HG ARG 124 2HG ARG 124 -8.664 -22.757 6.726 1184 2HG ARG 124 1HG ARG 124 -7.736 -21.345 6.200 1185 1HD ARG 124 2HD ARG 124 -9.307 -21.082 4.291 1186 2HD ARG 124 1HD ARG 124 -10.232 -22.461 4.877 1187 HE ARG 124 HE ARG 124 -9.982 -20.565 6.918 1188 1HH1 ARG 124 1HH1 ARG 124 -11.718 -20.904 3.812 1189 2HH1 ARG 124 2HH1 ARG 124 -12.985 -19.871 4.291 1190 1HH2 ARG 124 1HH2 ARG 124 -11.734 -19.204 7.509 1191 2HH2 ARG 124 2HH2 ARG 124 -13.047 -18.948 6.444 1192 QB ARG 124 QB ARG 124 -6.971 -22.938 4.751 1193 QG ARG 124 QG ARG 124 -8.200 -22.051 6.463 1194 QD ARG 124 QD ARG 124 -9.769 -21.771 4.584 1195 QH1 ARG 124 QH1 ARG 124 -12.352 -20.388 4.051 1196 QH2 ARG 124 QH2 ARG 124 -12.390 -19.076 6.976 1197 H GLN 125 H GLN 125 -6.904 -26.529 5.462 1198 HA GLN 125 HA GLN 125 -8.620 -26.910 7.840 1199 1HB GLN 125 2HB GLN 125 -8.996 -28.489 5.876 1200 2HB GLN 125 1HB GLN 125 -7.408 -29.151 6.228 1201 1HG GLN 125 2HG GLN 125 -9.074 -30.559 7.215 1202 2HG GLN 125 1HG GLN 125 -8.207 -29.725 8.504 1203 1HE2 GLN 125 1HE2 GLN 125 -9.918 -30.022 9.938 1204 2HE2 GLN 125 2HE2 GLN 125 -11.383 -29.113 9.825 1205 QB GLN 125 QB GLN 125 -8.202 -28.820 6.052 1206 QG GLN 125 QG GLN 125 -8.641 -30.142 7.859 1207 QE GLN 125 QE2 GLN 125 -10.650 -29.568 9.882 No H/Q in entry = 1207 Start of MODEL 5 1 H1 LEU 5 2HT LEU 5 -1.511 35.054 -18.608 2 H2 LEU 5 1HT LEU 5 -2.434 35.949 -19.696 3 H3 LEU 5 3HT LEU 5 -2.328 36.426 -18.087 4 HA LEU 5 HA LEU 5 -4.441 35.398 -18.404 5 1HB LEU 5 2HB LEU 5 -3.697 34.004 -20.341 6 2HB LEU 5 1HB LEU 5 -2.790 32.999 -19.231 7 HG LEU 5 HG LEU 5 -4.968 32.388 -18.139 8 1HD1 LEU 5 2HD1 LEU 5 -6.283 34.299 -18.886 9 2HD1 LEU 5 1HD1 LEU 5 -6.161 33.741 -20.548 10 3HD1 LEU 5 3HD1 LEU 5 -7.029 32.772 -19.359 11 1HD2 LEU 5 2HD2 LEU 5 -3.862 30.904 -19.724 12 2HD2 LEU 5 1HD2 LEU 5 -5.615 30.808 -19.888 13 3HD2 LEU 5 3HD2 LEU 5 -4.673 31.721 -21.065 14 MD1 LEU 5 QD1 LEU 5 -6.491 33.604 -19.598 15 MD2 LEU 5 QD2 LEU 5 -4.717 31.144 -20.225 16 QB LEU 5 QB LEU 5 -3.243 33.502 -19.786 17 QD LEU 5 QQD LEU 5 -5.604 32.374 -19.912 18 H GLU 6 H GLU 6 -5.331 34.241 -16.617 19 HA GLU 6 HA GLU 6 -3.634 33.891 -14.351 20 1HB GLU 6 2HB GLU 6 -6.028 34.627 -14.173 21 2HB GLU 6 1HB GLU 6 -6.436 33.045 -14.835 22 1HG GLU 6 2HG GLU 6 -6.781 33.389 -12.429 23 2HG GLU 6 1HG GLU 6 -5.789 31.973 -12.818 24 QB GLU 6 QB GLU 6 -6.232 33.836 -14.504 25 QG GLU 6 QG GLU 6 -6.285 32.681 -12.623 26 H ALA 7 H ALA 7 -3.450 31.921 -13.235 27 HA ALA 7 HA ALA 7 -2.312 29.919 -14.778 28 1HB ALA 7 1HB ALA 7 -1.808 30.210 -12.395 29 2HB ALA 7 3HB ALA 7 -3.407 29.555 -12.006 30 3HB ALA 7 2HB ALA 7 -2.219 28.549 -12.833 31 MB ALA 7 QB ALA 7 -2.478 29.438 -12.411 32 H ASP 8 H ASP 8 -3.005 28.416 -15.865 33 HA ASP 8 HA ASP 8 -5.798 27.797 -16.187 34 1HB ASP 8 2HB ASP 8 -4.426 27.998 -18.162 35 2HB ASP 8 1HB ASP 8 -3.255 26.851 -17.551 36 QB ASP 8 QB ASP 8 -3.841 27.425 -17.857 37 H VAL 9 H VAL 9 -6.536 25.437 -16.116 38 HA VAL 9 HA VAL 9 -5.976 24.335 -13.759 39 HB VAL 9 HB VAL 9 -7.201 22.280 -14.534 40 1HG1 VAL 9 1HG1 VAL 9 -8.354 24.141 -13.484 41 2HG1 VAL 9 3HG1 VAL 9 -8.486 24.957 -15.046 42 3HG1 VAL 9 2HG1 VAL 9 -9.341 23.442 -14.771 43 1HG2 VAL 9 3HG2 VAL 9 -7.302 23.892 -17.040 44 2HG2 VAL 9 2HG2 VAL 9 -6.532 22.327 -16.808 45 3HG2 VAL 9 1HG2 VAL 9 -8.302 22.458 -16.739 46 MG1 VAL 9 QG1 VAL 9 -8.727 24.180 -14.433 47 MG2 VAL 9 QG2 VAL 9 -7.378 22.892 -16.862 48 QG VAL 9 QQG VAL 9 -8.053 23.536 -15.648 49 H THR 10 H THR 10 -4.086 24.132 -16.512 50 HA THR 10 HA THR 10 -2.985 21.743 -16.724 51 HB THR 10 HB THR 10 -2.290 23.398 -18.144 52 HG1 THR 10 1HG THR 10 0.167 23.458 -17.350 53 1HG2 THR 10 3HG2 THR 10 -2.534 25.220 -16.637 54 2HG2 THR 10 2HG2 THR 10 -1.046 24.762 -15.808 55 3HG2 THR 10 1HG2 THR 10 -0.973 25.366 -17.483 56 MG THR 10 QG2 THR 10 -1.518 25.116 -16.643 57 H MET 11 H MET 11 -2.066 20.349 -15.359 58 HA MET 11 HA MET 11 -1.332 21.287 -12.770 59 1HB MET 11 2HB MET 11 -0.877 18.816 -12.259 60 2HB MET 11 1HB MET 11 -2.529 19.279 -12.598 61 1HG MET 11 2HG MET 11 -2.106 17.199 -13.658 62 2HG MET 11 1HG MET 11 -2.210 18.462 -14.871 63 1HE MET 11 3HE MET 11 0.159 16.070 -12.888 64 2HE MET 11 2HE MET 11 1.735 16.481 -13.556 65 3HE MET 11 1HE MET 11 0.878 17.642 -12.544 66 QB MET 11 QB MET 11 -1.703 19.047 -12.428 67 QG MET 11 QG MET 11 -2.158 17.831 -14.264 68 ME MET 11 QE MET 11 0.924 16.731 -12.996 69 H THR 12 H THR 12 0.583 21.349 -11.813 70 HA THR 12 HA THR 12 2.898 21.326 -13.580 71 HB THR 12 HB THR 12 3.912 22.446 -11.749 72 HG1 THR 12 1HG THR 12 1.993 23.453 -10.318 73 1HG2 THR 12 1HG2 THR 12 1.412 23.748 -12.847 74 2HG2 THR 12 3HG2 THR 12 2.728 24.637 -12.079 75 3HG2 THR 12 2HG2 THR 12 3.019 23.754 -13.579 76 MG THR 12 QG2 THR 12 2.387 24.046 -12.835 77 H GLY 13 H GLY 13 2.375 20.585 -10.193 78 1HA GLY 13 1HA GLY 13 3.255 17.864 -10.421 79 2HA GLY 13 2HA GLY 13 2.950 18.745 -8.926 80 QA GLY 13 QA GLY 13 3.102 18.305 -9.674 81 H SER 14 H SER 14 4.604 20.046 -8.075 82 HA SER 14 HA SER 14 7.211 19.734 -9.337 83 1HB SER 14 2HB SER 14 6.328 21.703 -7.238 84 2HB SER 14 1HB SER 14 7.863 21.705 -8.116 85 HG SER 14 HG SER 14 5.846 21.510 -9.813 86 QB SER 14 QB SER 14 7.095 21.704 -7.677 87 H ASP 15 H ASP 15 5.618 19.310 -6.057 88 HA ASP 15 HA ASP 15 8.082 18.130 -5.232 89 1HB ASP 15 2HB ASP 15 7.339 18.805 -3.040 90 2HB ASP 15 1HB ASP 15 7.812 20.194 -3.992 91 QB ASP 15 QB ASP 15 7.575 19.499 -3.516 92 H LEU 16 H LEU 16 6.524 16.592 -6.485 93 HA LEU 16 HA LEU 16 5.465 14.929 -4.371 94 1HB LEU 16 2HB LEU 16 4.602 14.986 -7.232 95 2HB LEU 16 1HB LEU 16 3.956 13.949 -5.972 96 HG LEU 16 HG LEU 16 2.349 15.440 -6.284 97 1HD1 LEU 16 3HD1 LEU 16 2.705 15.375 -3.964 98 2HD1 LEU 16 2HD1 LEU 16 3.873 16.690 -4.060 99 3HD1 LEU 16 1HD1 LEU 16 2.176 16.998 -4.423 100 1HD2 LEU 16 2HD2 LEU 16 4.349 17.610 -6.670 101 2HD2 LEU 16 1HD2 LEU 16 3.269 16.819 -7.834 102 3HD2 LEU 16 3HD2 LEU 16 2.591 17.876 -6.591 103 MD1 LEU 16 QD1 LEU 16 2.918 16.354 -4.149 104 MD2 LEU 16 QD2 LEU 16 3.403 17.435 -7.032 105 QB LEU 16 QB LEU 16 4.279 14.467 -6.602 106 QD LEU 16 QQD LEU 16 3.160 16.895 -5.590 107 H VAL 17 H VAL 17 5.688 12.838 -4.563 108 HA VAL 17 HA VAL 17 7.669 11.935 -6.247 109 HB VAL 17 HB VAL 17 7.959 12.098 -3.246 110 1HG1 VAL 17 3HG1 VAL 17 9.199 10.239 -5.113 111 2HG1 VAL 17 2HG1 VAL 17 9.914 10.563 -3.486 112 3HG1 VAL 17 1HG1 VAL 17 8.252 9.877 -3.663 113 1HG2 VAL 17 3HG2 VAL 17 9.052 13.848 -4.624 114 2HG2 VAL 17 2HG2 VAL 17 10.217 12.887 -3.710 115 3HG2 VAL 17 1HG2 VAL 17 9.984 12.594 -5.431 116 MG1 VAL 17 QG1 VAL 17 9.122 10.226 -4.087 117 MG2 VAL 17 QG2 VAL 17 9.751 13.109 -4.589 118 QG VAL 17 QQG VAL 17 9.436 11.668 -4.338 119 H SER 18 H SER 18 7.500 9.567 -6.185 120 HA SER 18 HA SER 18 5.156 8.509 -4.796 121 1HB SER 18 2HB SER 18 4.571 8.977 -7.164 122 2HB SER 18 1HB SER 18 5.871 7.905 -7.676 123 HG SER 18 HG SER 18 3.799 7.090 -5.955 124 QB SER 18 QB SER 18 5.221 8.441 -7.420 125 H CYS 19 H CYS 19 5.699 6.810 -3.645 126 HA CYS 19 HA CYS 19 8.100 5.332 -4.378 127 1HB CYS 19 2HB CYS 19 8.058 4.501 -2.038 128 2HB CYS 19 1HB CYS 19 7.905 6.232 -2.043 129 HG CYS 19 HG CYS 19 6.240 5.712 -0.108 130 QB CYS 19 QB CYS 19 7.982 5.367 -2.041 131 H CYS 20 H CYS 20 7.820 3.262 -5.155 132 HA CYS 20 HA CYS 20 5.043 2.260 -5.167 133 1HB CYS 20 2HB CYS 20 7.137 1.928 -7.342 134 2HB CYS 20 1HB CYS 20 5.482 1.331 -7.388 135 HG CYS 20 HG CYS 20 5.663 4.623 -6.914 136 QB CYS 20 QB CYS 20 6.309 1.629 -7.365 137 H TYR 21 H TYR 21 5.091 0.532 -3.728 138 HA TYR 21 HA TYR 21 7.652 -0.893 -3.667 139 1HB TYR 21 2HB TYR 21 7.642 -1.020 -1.390 140 2HB TYR 21 1HB TYR 21 7.213 0.655 -1.734 141 HD1 TYR 21 1HD TYR 21 5.884 -2.658 -0.569 142 HD2 TYR 21 2HD TYR 21 5.359 1.592 -0.633 143 HE1 TYR 21 1HE TYR 21 4.168 -2.819 1.186 144 HE2 TYR 21 2HE TYR 21 3.700 1.397 1.090 145 HH TYR 21 HH TYR 21 2.127 -0.340 2.050 146 QB TYR 21 QB TYR 21 7.427 -0.182 -1.562 147 QD TYR 21 QD TYR 21 5.622 -0.533 -0.601 148 QE TYR 21 QE TYR 21 3.934 -0.711 1.138 149 QR TYR 21 QR TYR 21 4.778 -0.622 0.268 150 H ARG 22 H ARG 22 7.472 -3.014 -2.625 151 HA ARG 22 HA ARG 22 4.851 -4.267 -3.027 152 1HB ARG 22 2HB ARG 22 5.840 -6.218 -3.888 153 2HB ARG 22 1HB ARG 22 6.541 -4.872 -4.768 154 1HG ARG 22 2HG ARG 22 8.565 -5.008 -3.538 155 2HG ARG 22 1HG ARG 22 7.875 -6.206 -2.437 156 1HD ARG 22 2HD ARG 22 7.500 -7.639 -4.390 157 2HD ARG 22 1HD ARG 22 8.441 -6.469 -5.337 158 HE ARG 22 HE ARG 22 9.729 -7.442 -2.942 159 1HH1 ARG 22 1HH1 ARG 22 9.263 -8.146 -6.394 160 2HH1 ARG 22 2HH1 ARG 22 10.762 -8.937 -6.581 161 1HH2 ARG 22 1HH2 ARG 22 11.795 -8.481 -3.232 162 2HH2 ARG 22 2HH2 ARG 22 12.238 -9.161 -4.744 163 QB ARG 22 QB ARG 22 6.190 -5.545 -4.328 164 QG ARG 22 QG ARG 22 8.220 -5.607 -2.987 165 QD ARG 22 QD ARG 22 7.970 -7.054 -4.863 166 QH1 ARG 22 QH1 ARG 22 10.012 -8.541 -6.488 167 QH2 ARG 22 QH2 ARG 22 12.016 -8.821 -3.988 168 H SER 23 H SER 23 4.553 -6.139 -1.725 169 HA SER 23 HA SER 23 6.533 -6.690 0.225 170 1HB SER 23 2HB SER 23 3.747 -5.892 1.096 171 2HB SER 23 1HB SER 23 4.951 -6.660 2.140 172 HG SER 23 HG SER 23 5.883 -4.507 0.801 173 QB SER 23 QB SER 23 4.349 -6.276 1.618 174 H LEU 24 H LEU 24 6.250 -8.788 1.119 175 HA LEU 24 HA LEU 24 4.357 -10.432 -0.451 176 1HB LEU 24 2HB LEU 24 6.937 -11.199 0.928 177 2HB LEU 24 1HB LEU 24 5.810 -12.398 0.344 178 HG LEU 24 HG LEU 24 7.613 -12.174 -1.219 179 1HD1 LEU 24 1HD1 LEU 24 5.105 -10.931 -2.304 180 2HD1 LEU 24 3HD1 LEU 24 6.404 -11.628 -3.263 181 3HD1 LEU 24 2HD1 LEU 24 5.473 -12.650 -2.169 182 1HD2 LEU 24 1HD2 LEU 24 6.900 -9.249 -1.371 183 2HD2 LEU 24 3HD2 LEU 24 8.406 -9.925 -0.744 184 3HD2 LEU 24 2HD2 LEU 24 8.006 -10.056 -2.464 185 MD1 LEU 24 QD1 LEU 24 5.661 -11.736 -2.579 186 MD2 LEU 24 QD2 LEU 24 7.771 -9.743 -1.526 187 QB LEU 24 QB LEU 24 6.374 -11.799 0.636 188 QD LEU 24 QQD LEU 24 6.716 -10.740 -2.052 189 H ALA 25 H ALA 25 2.708 -9.641 0.979 190 HA ALA 25 HA ALA 25 2.423 -9.318 3.563 191 1HB ALA 25 3HB ALA 25 0.622 -9.042 1.982 192 2HB ALA 25 2HB ALA 25 0.344 -10.793 1.979 193 3HB ALA 25 1HB ALA 25 0.083 -9.853 3.452 194 MB ALA 25 QB ALA 25 0.350 -9.896 2.471 195 H ALA 26 H ALA 26 2.820 -10.243 5.402 196 HA ALA 26 HA ALA 26 3.927 -12.596 5.615 197 1HB ALA 26 3HB ALA 26 4.266 -10.757 7.038 198 2HB ALA 26 2HB ALA 26 2.607 -10.814 7.602 199 3HB ALA 26 1HB ALA 26 3.729 -12.131 8.011 200 MB ALA 26 QB ALA 26 3.534 -11.234 7.550 201 HA PRO 27 HA PRO 27 0.466 -15.491 6.059 202 1HB PRO 27 2HB PRO 27 1.869 -17.392 7.399 203 2HB PRO 27 1HB PRO 27 2.062 -17.109 5.656 204 1HG PRO 27 2HG PRO 27 3.645 -15.822 7.888 205 2HG PRO 27 1HG PRO 27 4.310 -16.825 6.544 206 1HD PRO 27 2HD PRO 27 4.371 -14.281 6.479 207 2HD PRO 27 1HD PRO 27 3.697 -15.103 5.045 208 QB PRO 27 QB PRO 27 1.966 -17.251 6.527 209 QG PRO 27 QG PRO 27 3.978 -16.323 7.216 210 QD PRO 27 QD PRO 27 4.034 -14.692 5.762 211 H ASP 28 H ASP 28 1.893 -13.788 8.412 212 HA ASP 28 HA ASP 28 0.360 -15.020 10.605 213 1HB ASP 28 2HB ASP 28 1.862 -14.070 12.213 214 2HB ASP 28 1HB ASP 28 2.827 -14.840 10.965 215 QB ASP 28 QB ASP 28 2.345 -14.455 11.589 216 H LEU 29 H LEU 29 -0.185 -12.717 8.495 217 HA LEU 29 HA LEU 29 -0.603 -10.440 10.110 218 1HB LEU 29 2HB LEU 29 -1.676 -11.046 7.388 219 2HB LEU 29 1HB LEU 29 -1.839 -9.510 8.212 220 HG LEU 29 HG LEU 29 0.655 -10.805 7.189 221 1HD1 LEU 29 1HD1 LEU 29 -0.732 -9.562 5.594 222 2HD1 LEU 29 3HD1 LEU 29 -0.574 -8.138 6.639 223 3HD1 LEU 29 2HD1 LEU 29 0.863 -8.849 5.853 224 1HD2 LEU 29 3HD2 LEU 29 0.355 -8.439 9.011 225 2HD2 LEU 29 2HD2 LEU 29 1.244 -9.933 9.312 226 3HD2 LEU 29 1HD2 LEU 29 1.830 -8.797 8.102 227 MD1 LEU 29 QD1 LEU 29 -0.148 -8.849 6.029 228 MD2 LEU 29 QD2 LEU 29 1.143 -9.056 8.808 229 QB LEU 29 QB LEU 29 -1.757 -10.278 7.800 230 QD LEU 29 QQD LEU 29 0.498 -8.953 7.418 231 H THR 30 H THR 30 -2.399 -9.387 10.675 232 HA THR 30 HA THR 30 -4.706 -10.988 11.333 233 HB THR 30 HB THR 30 -5.062 -8.658 12.328 234 HG1 THR 30 1HG THR 30 -3.151 -7.631 12.802 235 1HG2 THR 30 1HG2 THR 30 -3.469 -10.924 13.410 236 2HG2 THR 30 3HG2 THR 30 -4.122 -9.606 14.421 237 3HG2 THR 30 2HG2 THR 30 -5.232 -10.602 13.461 238 MG THR 30 QG2 THR 30 -4.275 -10.377 13.764 239 H LEU 31 H LEU 31 -6.470 -10.819 10.214 240 HA LEU 31 HA LEU 31 -6.984 -9.204 7.946 241 1HB LEU 31 2HB LEU 31 -8.253 -11.250 8.715 242 2HB LEU 31 1HB LEU 31 -8.778 -10.135 9.996 243 HG LEU 31 HG LEU 31 -9.985 -8.766 8.426 244 1HD1 LEU 31 1HD1 LEU 31 -8.574 -9.087 6.479 245 2HD1 LEU 31 3HD1 LEU 31 -9.224 -10.726 6.270 246 3HD1 LEU 31 2HD1 LEU 31 -10.278 -9.305 6.144 247 1HD2 LEU 31 1HD2 LEU 31 -11.200 -10.594 9.434 248 2HD2 LEU 31 3HD2 LEU 31 -11.780 -10.305 7.795 249 3HD2 LEU 31 2HD2 LEU 31 -10.716 -11.671 8.124 250 MD1 LEU 31 QD1 LEU 31 -9.359 -9.706 6.298 251 MD2 LEU 31 QD2 LEU 31 -11.232 -10.857 8.451 252 QB LEU 31 QB LEU 31 -8.516 -10.692 9.355 253 QD LEU 31 QQD LEU 31 -10.295 -10.281 7.374 254 H ARG 32 H ARG 32 -7.719 -8.653 11.381 255 HA ARG 32 HA ARG 32 -9.180 -6.350 10.595 256 1HB ARG 32 2HB ARG 32 -9.747 -7.430 12.700 257 2HB ARG 32 1HB ARG 32 -8.179 -7.019 13.375 258 1HG ARG 32 2HG ARG 32 -9.989 -5.507 14.171 259 2HG ARG 32 1HG ARG 32 -8.717 -4.668 13.268 260 1HD ARG 32 2HD ARG 32 -11.030 -3.915 12.676 261 2HD ARG 32 1HD ARG 32 -10.067 -4.492 11.323 262 HE ARG 32 HE ARG 32 -11.630 -6.588 12.348 263 1HH1 ARG 32 1HH1 ARG 32 -12.056 -3.530 10.611 264 2HH1 ARG 32 2HH1 ARG 32 -13.346 -4.093 9.655 265 1HH2 ARG 32 1HH2 ARG 32 -13.371 -7.372 10.985 266 2HH2 ARG 32 2HH2 ARG 32 -14.092 -6.334 9.847 267 QB ARG 32 QB ARG 32 -8.963 -7.225 13.038 268 QG ARG 32 QG ARG 32 -9.353 -5.087 13.719 269 QD ARG 32 QD ARG 32 -10.548 -4.204 11.999 270 QH1 ARG 32 QH1 ARG 32 -12.701 -3.812 10.133 271 QH2 ARG 32 QH2 ARG 32 -13.732 -6.853 10.416 272 H ASP 33 H ASP 33 -5.889 -6.959 11.086 273 HA ASP 33 HA ASP 33 -5.264 -4.215 11.264 274 1HB ASP 33 2HB ASP 33 -3.576 -6.629 10.880 275 2HB ASP 33 1HB ASP 33 -2.925 -5.063 10.388 276 QB ASP 33 QB ASP 33 -3.251 -5.846 10.634 277 H LEU 34 H LEU 34 -5.682 -6.477 8.535 278 HA LEU 34 HA LEU 34 -4.678 -4.559 6.597 279 1HB LEU 34 2HB LEU 34 -6.716 -6.766 6.192 280 2HB LEU 34 1HB LEU 34 -6.171 -5.719 4.908 281 HG LEU 34 HG LEU 34 -5.099 -7.829 4.687 282 1HD1 LEU 34 1HD1 LEU 34 -3.711 -5.940 4.130 283 2HD1 LEU 34 3HD1 LEU 34 -3.124 -5.852 5.792 284 3HD1 LEU 34 2HD1 LEU 34 -2.746 -7.254 4.799 285 1HD2 LEU 34 1HD2 LEU 34 -5.442 -8.479 6.981 286 2HD2 LEU 34 3HD2 LEU 34 -3.805 -8.869 6.412 287 3HD2 LEU 34 2HD2 LEU 34 -4.079 -7.451 7.459 288 MD1 LEU 34 QD1 LEU 34 -3.193 -6.349 4.907 289 MD2 LEU 34 QD2 LEU 34 -4.442 -8.266 6.951 290 QB LEU 34 QB LEU 34 -6.444 -6.243 5.550 291 QD LEU 34 QQD LEU 34 -3.818 -7.308 5.929 292 H LEU 35 H LEU 35 -7.710 -5.235 7.944 293 HA LEU 35 HA LEU 35 -9.168 -3.317 6.445 294 1HB LEU 35 2HB LEU 35 -9.764 -4.831 8.977 295 2HB LEU 35 1HB LEU 35 -10.890 -3.653 8.351 296 HG LEU 35 HG LEU 35 -11.364 -6.104 7.808 297 1HD1 LEU 35 2HD1 LEU 35 -11.053 -4.171 5.495 298 2HD1 LEU 35 1HD1 LEU 35 -12.077 -5.609 5.501 299 3HD1 LEU 35 3HD1 LEU 35 -12.435 -4.267 6.584 300 1HD2 LEU 35 1HD2 LEU 35 -9.061 -6.755 7.233 301 2HD2 LEU 35 3HD2 LEU 35 -10.152 -7.079 5.873 302 3HD2 LEU 35 2HD2 LEU 35 -9.079 -5.657 5.903 303 MD1 LEU 35 QD1 LEU 35 -11.855 -4.682 5.860 304 MD2 LEU 35 QD2 LEU 35 -9.431 -6.497 6.336 305 QB LEU 35 QB LEU 35 -10.327 -4.242 8.664 306 QD LEU 35 QQD LEU 35 -10.643 -5.590 6.098 307 H ASP 36 H ASP 36 -7.610 -3.214 9.531 308 HA ASP 36 HA ASP 36 -8.343 -0.480 10.077 309 1HB ASP 36 2HB ASP 36 -7.565 -1.872 11.933 310 2HB ASP 36 1HB ASP 36 -6.009 -2.087 11.146 311 QB ASP 36 QB ASP 36 -6.787 -1.979 11.539 312 H ILE 37 H ILE 37 -5.585 -1.955 8.480 313 HA ILE 37 HA ILE 37 -4.009 0.266 7.957 314 HB ILE 37 HB ILE 37 -4.469 -2.233 6.312 315 1HG1 ILE 37 2HG1 ILE 37 -1.966 -1.406 7.760 316 2HG1 ILE 37 1HG1 ILE 37 -3.253 -2.269 8.588 317 1HG2 ILE 37 2HG2 ILE 37 -3.778 -0.443 4.772 318 2HG2 ILE 37 1HG2 ILE 37 -2.390 -0.095 5.793 319 3HG2 ILE 37 3HG2 ILE 37 -2.496 -1.643 4.957 320 1HD1 ILE 37 1HD1 ILE 37 -1.875 -3.270 6.117 321 2HD1 ILE 37 3HD1 ILE 37 -1.378 -3.659 7.752 322 3HD1 ILE 37 2HD1 ILE 37 -2.950 -4.190 7.194 323 MG ILE 37 QG2 ILE 37 -2.888 -0.727 5.174 324 MD ILE 37 QD1 ILE 37 -2.068 -3.706 7.021 325 QG ILE 37 QG1 ILE 37 -2.610 -1.838 8.174 326 H VAL 38 H VAL 38 -6.517 -1.125 5.835 327 HA VAL 38 HA VAL 38 -6.375 0.829 3.887 328 HB VAL 38 HB VAL 38 -7.667 -1.227 3.431 329 1HG1 VAL 38 3HG1 VAL 38 -8.617 -1.579 5.582 330 2HG1 VAL 38 2HG1 VAL 38 -9.749 -0.250 5.311 331 3HG1 VAL 38 1HG1 VAL 38 -9.818 -1.690 4.294 332 1HG2 VAL 38 3HG2 VAL 38 -9.376 1.250 3.181 333 2HG2 VAL 38 2HG2 VAL 38 -8.278 0.580 1.967 334 3HG2 VAL 38 1HG2 VAL 38 -9.726 -0.291 2.402 335 MG1 VAL 38 QG1 VAL 38 -9.395 -1.173 5.062 336 MG2 VAL 38 QG2 VAL 38 -9.127 0.513 2.517 337 QG VAL 38 QQG VAL 38 -9.261 -0.330 3.789 338 H GLU 39 H GLU 39 -8.421 0.868 6.748 339 HA GLU 39 HA GLU 39 -9.683 3.286 6.102 340 1HB GLU 39 2HB GLU 39 -9.394 1.837 8.719 341 2HB GLU 39 1HB GLU 39 -10.465 3.211 8.495 342 1HG GLU 39 2HG GLU 39 -11.590 1.930 6.665 343 2HG GLU 39 1HG GLU 39 -10.577 0.562 7.083 344 QB GLU 39 QB GLU 39 -9.930 2.524 8.607 345 QG GLU 39 QG GLU 39 -11.084 1.246 6.874 346 H THR 40 H THR 40 -6.960 2.612 8.280 347 HA THR 40 HA THR 40 -6.607 5.294 9.105 348 HB THR 40 HB THR 40 -4.525 3.085 9.061 349 HG1 THR 40 1HG THR 40 -6.130 2.233 10.235 350 1HG2 THR 40 3HG2 THR 40 -4.836 5.518 10.837 351 2HG2 THR 40 2HG2 THR 40 -3.595 4.273 11.008 352 3HG2 THR 40 1HG2 THR 40 -3.613 5.314 9.579 353 MG THR 40 QG2 THR 40 -4.015 5.035 10.475 354 H SER 41 H SER 41 -5.354 3.429 6.390 355 HA SER 41 HA SER 41 -3.236 5.049 5.622 356 1HB SER 41 2HB SER 41 -3.725 2.750 4.758 357 2HB SER 41 1HB SER 41 -5.055 3.423 3.820 358 HG SER 41 HG SER 41 -3.400 3.417 2.436 359 QB SER 41 QB SER 41 -4.390 3.086 4.289 360 H GLN 42 H GLN 42 -6.612 5.083 4.540 361 HA GLN 42 HA GLN 42 -6.531 7.204 2.717 362 1HB GLN 42 2HB GLN 42 -8.719 6.390 4.583 363 2HB GLN 42 1HB GLN 42 -8.916 7.459 3.201 364 1HG GLN 42 2HG GLN 42 -8.630 5.805 1.685 365 2HG GLN 42 1HG GLN 42 -7.665 4.840 2.799 366 1HE2 GLN 42 1HE2 GLN 42 -9.607 5.062 4.978 367 2HE2 GLN 42 2HE2 GLN 42 -10.854 4.000 4.439 368 QB GLN 42 QB GLN 42 -8.817 6.925 3.892 369 QG GLN 42 QG GLN 42 -8.148 5.322 2.242 370 QE GLN 42 QE2 GLN 42 -10.230 4.531 4.709 371 H ALA 43 H ALA 43 -7.224 7.192 6.148 372 HA ALA 43 HA ALA 43 -7.943 9.865 6.418 373 1HB ALA 43 2HB ALA 43 -7.808 9.467 8.771 374 2HB ALA 43 3HB ALA 43 -6.708 8.094 8.520 375 3HB ALA 43 1HB ALA 43 -8.375 7.994 7.962 376 MB ALA 43 QB ALA 43 -7.630 8.518 8.418 377 H HIS 44 H HIS 44 -4.746 8.399 6.738 378 HA HIS 44 HA HIS 44 -3.574 10.996 7.296 379 1HB HIS 44 2HB HIS 44 -2.516 8.934 8.225 380 2HB HIS 44 1HB HIS 44 -2.277 8.445 6.540 381 HD1 HIS 44 1HD HIS 44 0.005 8.688 5.804 382 HD2 HIS 44 2HD HIS 44 -0.978 11.704 8.454 383 HE1 HIS 44 1HE HIS 44 2.052 10.118 5.984 384 HE2 HIS 44 2HE HIS 44 1.580 11.436 7.969 385 QB HIS 44 QB HIS 44 -2.397 8.689 7.382 386 H ASN 45 H ASN 45 -3.841 8.813 4.516 387 HA ASN 45 HA ASN 45 -2.042 10.285 2.955 388 1HB ASN 45 2HB ASN 45 -4.215 8.376 2.074 389 2HB ASN 45 1HB ASN 45 -3.102 9.143 0.950 390 1HD2 ASN 45 1HD2 ASN 45 -3.412 6.355 1.403 391 2HD2 ASN 45 2HD2 ASN 45 -1.915 5.742 1.974 392 QB ASN 45 QB ASN 45 -3.658 8.759 1.512 393 QD ASN 45 QD2 ASN 45 -2.663 6.048 1.688 394 H ALA 46 H ALA 46 -5.541 10.474 3.242 395 HA ALA 46 HA ALA 46 -5.973 12.457 1.298 396 1HB ALA 46 2HB ALA 46 -8.028 12.955 2.512 397 2HB ALA 46 3HB ALA 46 -7.416 12.071 3.913 398 3HB ALA 46 1HB ALA 46 -7.797 11.204 2.416 399 MB ALA 46 QB ALA 46 -7.747 12.077 2.947 400 H ARG 47 H ARG 47 -5.189 12.630 4.710 401 HA ARG 47 HA ARG 47 -5.242 15.428 5.011 402 1HB ARG 47 2HB ARG 47 -5.083 13.572 6.792 403 2HB ARG 47 1HB ARG 47 -3.354 13.620 6.440 404 1HG ARG 47 2HG ARG 47 -3.394 16.070 6.966 405 2HG ARG 47 1HG ARG 47 -5.031 15.829 7.583 406 1HD ARG 47 2HD ARG 47 -3.625 15.696 9.475 407 2HD ARG 47 1HD ARG 47 -4.017 14.024 9.076 408 HE ARG 47 HE ARG 47 -1.629 14.887 7.796 409 1HH1 ARG 47 1HH1 ARG 47 -2.833 13.654 10.876 410 2HH1 ARG 47 2HH1 ARG 47 -1.301 13.203 11.460 411 1HH2 ARG 47 1HH2 ARG 47 0.498 14.252 8.606 412 2HH2 ARG 47 2HH2 ARG 47 0.606 13.562 10.163 413 QB ARG 47 QB ARG 47 -4.219 13.596 6.616 414 QG ARG 47 QG ARG 47 -4.213 15.949 7.275 415 QD ARG 47 QD ARG 47 -3.821 14.860 9.275 416 QH1 ARG 47 QH1 ARG 47 -2.067 13.428 11.168 417 QH2 ARG 47 QH2 ARG 47 0.552 13.907 9.385 418 H ALA 48 H ALA 48 -2.512 13.211 4.433 419 HA ALA 48 HA ALA 48 -0.737 15.417 4.251 420 1HB ALA 48 2HB ALA 48 -0.034 13.319 5.254 421 2HB ALA 48 3HB ALA 48 1.011 13.822 3.916 422 3HB ALA 48 1HB ALA 48 -0.159 12.514 3.689 423 MB ALA 48 QB ALA 48 0.273 13.218 4.286 424 H GLN 49 H GLN 49 -2.893 14.268 2.077 425 HA GLN 49 HA GLN 49 -3.403 14.941 -0.024 426 1HB GLN 49 2HB GLN 49 -0.754 16.345 0.134 427 2HB GLN 49 1HB GLN 49 -1.902 16.581 -1.214 428 1HG GLN 49 2HG GLN 49 -3.207 17.873 0.114 429 2HG GLN 49 1HG GLN 49 -2.842 16.756 1.459 430 1HE2 GLN 49 1HE2 GLN 49 -1.416 17.233 2.887 431 2HE2 GLN 49 2HE2 GLN 49 -0.358 18.579 2.937 432 QB GLN 49 QB GLN 49 -1.328 16.463 -0.540 433 QG GLN 49 QG GLN 49 -3.025 17.315 0.786 434 QE GLN 49 QE2 GLN 49 -0.887 17.906 2.912 435 H LEU 50 H LEU 50 -2.065 12.631 0.686 436 HA LEU 50 HA LEU 50 -0.494 11.770 -1.592 437 1HB LEU 50 2HB LEU 50 -1.172 10.627 1.061 438 2HB LEU 50 1HB LEU 50 -0.703 9.538 -0.225 439 HG LEU 50 HG LEU 50 1.392 10.644 -0.447 440 1HD1 LEU 50 3HD1 LEU 50 0.783 12.897 0.124 441 2HD1 LEU 50 2HD1 LEU 50 0.543 12.420 1.803 442 3HD1 LEU 50 1HD1 LEU 50 2.154 12.358 1.087 443 1HD2 LEU 50 1HD2 LEU 50 1.214 8.819 1.146 444 2HD2 LEU 50 3HD2 LEU 50 2.420 10.006 1.645 445 3HD2 LEU 50 2HD2 LEU 50 0.834 9.974 2.425 446 MD1 LEU 50 QD1 LEU 50 1.160 12.558 1.005 447 MD2 LEU 50 QD2 LEU 50 1.489 9.600 1.739 448 QB LEU 50 QB LEU 50 -0.937 10.083 0.418 449 QD LEU 50 QQD LEU 50 1.325 11.079 1.372 450 H THR 51 H THR 51 -1.276 10.811 -3.274 451 HA THR 51 HA THR 51 -3.917 9.640 -3.127 452 HB THR 51 HB THR 51 -4.098 10.294 -5.538 453 HG1 THR 51 1HG THR 51 -2.039 10.474 -6.312 454 1HG2 THR 51 3HG2 THR 51 -4.767 11.711 -3.664 455 2HG2 THR 51 2HG2 THR 51 -3.167 12.483 -3.736 456 3HG2 THR 51 1HG2 THR 51 -4.293 12.665 -5.096 457 MG THR 51 QG2 THR 51 -4.075 12.286 -4.165 458 H GLY 52 H GLY 52 -4.152 7.577 -4.366 459 1HA GLY 52 1HA GLY 52 -2.326 5.930 -3.107 460 2HA GLY 52 2HA GLY 52 -1.771 6.080 -4.764 461 QA GLY 52 QA GLY 52 -2.049 6.005 -3.935 462 H ALA 53 H ALA 53 -2.108 3.777 -4.209 463 HA ALA 53 HA ALA 53 -4.617 2.634 -4.069 464 1HB ALA 53 2HB ALA 53 -4.857 1.605 -6.291 465 2HB ALA 53 3HB ALA 53 -3.432 2.475 -6.858 466 3HB ALA 53 1HB ALA 53 -4.893 3.362 -6.427 467 MB ALA 53 QB ALA 53 -4.394 2.481 -6.525 468 H LEU 54 H LEU 54 -4.433 0.206 -4.266 469 HA LEU 54 HA LEU 54 -1.737 -0.723 -4.462 470 1HB LEU 54 2HB LEU 54 -1.506 -1.674 -2.303 471 2HB LEU 54 1HB LEU 54 -2.030 -0.023 -2.081 472 HG LEU 54 HG LEU 54 -4.381 -1.053 -1.729 473 1HD1 LEU 54 1HD1 LEU 54 -2.641 -3.465 -1.203 474 2HD1 LEU 54 3HD1 LEU 54 -4.342 -3.337 -0.765 475 3HD1 LEU 54 2HD1 LEU 54 -3.869 -3.328 -2.460 476 1HD2 LEU 54 2HD2 LEU 54 -3.002 0.037 -0.007 477 2HD2 LEU 54 1HD2 LEU 54 -3.936 -1.321 0.640 478 3HD2 LEU 54 3HD2 LEU 54 -2.215 -1.504 0.313 479 MD1 LEU 54 QD1 LEU 54 -3.617 -3.377 -1.476 480 MD2 LEU 54 QD2 LEU 54 -3.051 -0.929 0.315 481 QB LEU 54 QB LEU 54 -1.768 -0.848 -2.192 482 QD LEU 54 QQD LEU 54 -3.334 -2.153 -0.580 483 H PHE 55 H PHE 55 -1.549 -2.814 -4.913 484 HA PHE 55 HA PHE 55 -4.061 -4.191 -5.479 485 1HB PHE 55 2HB PHE 55 -1.464 -4.404 -7.033 486 2HB PHE 55 1HB PHE 55 -2.970 -5.227 -7.411 487 HD1 PHE 55 1HD PHE 55 -5.017 -3.729 -7.915 488 HD2 PHE 55 2HD PHE 55 -0.999 -2.344 -7.970 489 HE1 PHE 55 1HE PHE 55 -5.707 -1.800 -9.275 490 HE2 PHE 55 2HE PHE 55 -1.677 -0.417 -9.334 491 HZ PHE 55 HZ PHE 55 -4.029 -0.139 -9.985 492 QB PHE 55 QB PHE 55 -2.217 -4.815 -7.222 493 QD PHE 55 QD PHE 55 -3.008 -3.036 -7.943 494 QE PHE 55 QE PHE 55 -3.692 -1.109 -9.304 495 QR PHE 55 QR PHE 55 -3.486 -1.686 -8.896 496 H TYR 56 H TYR 56 -4.251 -5.595 -3.979 497 HA TYR 56 HA TYR 56 -1.938 -7.119 -3.036 498 1HB TYR 56 2HB TYR 56 -3.130 -5.871 -1.314 499 2HB TYR 56 1HB TYR 56 -4.662 -6.530 -1.752 500 HD1 TYR 56 1HD TYR 56 -4.306 -9.430 -1.675 501 HD2 TYR 56 2HD TYR 56 -2.473 -6.460 0.731 502 HE1 TYR 56 1HE TYR 56 -4.029 -11.073 0.140 503 HE2 TYR 56 2HE TYR 56 -2.168 -8.094 2.534 504 HH TYR 56 HH TYR 56 -2.543 -11.399 2.115 505 QB TYR 56 QB TYR 56 -3.896 -6.200 -1.533 506 QD TYR 56 QD TYR 56 -3.389 -7.945 -0.472 507 QE TYR 56 QE TYR 56 -3.099 -9.584 1.337 508 QR TYR 56 QR TYR 56 -3.244 -8.764 0.432 509 H SER 57 H SER 57 -1.844 -8.988 -4.172 510 HA SER 57 HA SER 57 -4.201 -10.627 -4.489 511 1HB SER 57 2HB SER 57 -3.776 -10.842 -6.991 512 2HB SER 57 1HB SER 57 -4.460 -9.300 -6.469 513 HG SER 57 HG SER 57 -1.855 -9.075 -6.307 514 QB SER 57 QB SER 57 -4.118 -10.071 -6.730 515 H GLN 58 H GLN 58 -3.655 -12.775 -4.535 516 HA GLN 58 HA GLN 58 -2.471 -14.681 -4.393 517 1HB GLN 58 2HB GLN 58 -1.581 -13.925 -6.671 518 2HB GLN 58 1HB GLN 58 -0.203 -13.242 -5.837 519 1HG GLN 58 2HG GLN 58 0.396 -15.499 -5.026 520 2HG GLN 58 1HG GLN 58 -0.968 -16.156 -5.932 521 1HE2 GLN 58 1HE2 GLN 58 0.341 -17.437 -7.187 522 2HE2 GLN 58 2HE2 GLN 58 1.346 -16.812 -8.436 523 QB GLN 58 QB GLN 58 -0.892 -13.583 -6.254 524 QG GLN 58 QG GLN 58 -0.286 -15.828 -5.479 525 QE GLN 58 QE2 GLN 58 0.843 -17.124 -7.811 526 H GLY 59 H GLY 59 -2.101 -12.253 -2.594 527 1HA GLY 59 1HA GLY 59 -0.029 -13.436 -0.912 528 2HA GLY 59 2HA GLY 59 -1.202 -12.223 -0.416 529 QA GLY 59 QA GLY 59 -0.615 -12.830 -0.664 530 H VAL 60 H VAL 60 0.306 -11.484 -3.405 531 HA VAL 60 HA VAL 60 2.421 -10.095 -2.037 532 HB VAL 60 HB VAL 60 3.109 -11.246 -4.114 533 1HG1 VAL 60 3HG1 VAL 60 1.274 -9.343 -5.544 534 2HG1 VAL 60 2HG1 VAL 60 2.435 -10.408 -6.327 535 3HG1 VAL 60 1HG1 VAL 60 1.077 -11.088 -5.420 536 1HG2 VAL 60 3HG2 VAL 60 4.382 -9.281 -3.439 537 2HG2 VAL 60 2HG2 VAL 60 4.329 -9.398 -5.195 538 3HG2 VAL 60 1HG2 VAL 60 3.297 -8.241 -4.357 539 MG1 VAL 60 QG1 VAL 60 1.595 -10.280 -5.764 540 MG2 VAL 60 QG2 VAL 60 4.003 -8.973 -4.330 541 QG VAL 60 QQG VAL 60 2.799 -9.627 -5.047 542 H PHE 61 H PHE 61 2.523 -8.156 -1.624 543 HA PHE 61 HA PHE 61 0.270 -6.359 -2.000 544 1HB PHE 61 2HB PHE 61 2.619 -6.647 -0.335 545 2HB PHE 61 1HB PHE 61 2.325 -5.001 -0.836 546 HD1 PHE 61 1HD PHE 61 2.108 -7.067 1.746 547 HD2 PHE 61 2HD PHE 61 -0.451 -4.570 -0.568 548 HE1 PHE 61 1HE PHE 61 0.710 -6.731 3.697 549 HE2 PHE 61 2HE PHE 61 -1.880 -4.226 1.381 550 HZ PHE 61 HZ PHE 61 -1.255 -5.260 3.539 551 QB PHE 61 QB PHE 61 2.472 -5.824 -0.586 552 QD PHE 61 QD PHE 61 0.828 -5.818 0.589 553 QE PHE 61 QE PHE 61 -0.585 -5.478 2.539 554 QR PHE 61 QR PHE 61 -0.153 -5.571 1.959 555 H PHE 62 H PHE 62 0.366 -5.123 -3.911 556 HA PHE 62 HA PHE 62 2.950 -3.802 -4.245 557 1HB PHE 62 2HB PHE 62 2.189 -4.952 -6.345 558 2HB PHE 62 1HB PHE 62 0.710 -3.981 -6.301 559 HD1 PHE 62 1HD PHE 62 4.359 -3.875 -6.772 560 HD2 PHE 62 2HD PHE 62 0.712 -1.698 -7.037 561 HE1 PHE 62 1HE PHE 62 5.513 -2.090 -8.014 562 HE2 PHE 62 2HE PHE 62 1.861 0.082 -8.278 563 HZ PHE 62 HZ PHE 62 4.266 -0.111 -8.768 564 QB PHE 62 QB PHE 62 1.449 -4.467 -6.323 565 QD PHE 62 QD PHE 62 2.535 -2.787 -6.905 566 QE PHE 62 QE PHE 62 3.687 -1.004 -8.146 567 QR PHE 62 QR PHE 62 3.342 -1.539 -7.774 568 H GLN 63 H GLN 63 2.916 -1.823 -3.432 569 HA GLN 63 HA GLN 63 0.308 -0.466 -3.120 570 1HB GLN 63 2HB GLN 63 1.259 -1.860 -1.079 571 2HB GLN 63 1HB GLN 63 2.372 -0.528 -0.927 572 1HG GLN 63 2HG GLN 63 -0.635 -0.352 -0.719 573 2HG GLN 63 1HG GLN 63 0.484 -0.394 0.619 574 1HE2 GLN 63 1HE2 GLN 63 2.378 1.495 -0.603 575 2HE2 GLN 63 2HE2 GLN 63 1.573 3.026 -0.541 576 QB GLN 63 QB GLN 63 1.815 -1.194 -1.003 577 QG GLN 63 QG GLN 63 -0.075 -0.373 -0.050 578 QE GLN 63 QE2 GLN 63 1.976 2.260 -0.572 579 H TRP 64 H TRP 64 0.605 1.643 -3.891 580 HA TRP 64 HA TRP 64 3.196 2.717 -3.364 581 1HB TRP 64 2HB TRP 64 3.695 3.396 -5.524 582 2HB TRP 64 1HB TRP 64 3.072 1.751 -5.780 583 HD1 TRP 64 HD TRP 64 3.130 5.099 -7.028 584 HE1 TRP 64 1HE TRP 64 1.287 5.563 -8.644 585 HE3 TRP 64 3HE TRP 64 0.186 1.091 -5.969 586 HZ2 TRP 64 2HZ TRP 64 -1.191 4.389 -9.423 587 HZ3 TRP 64 3HZ TRP 64 -1.950 0.875 -7.169 588 HH2 TRP 64 HH TRP 64 -2.596 2.471 -8.878 589 QB TRP 64 QB TRP 64 3.384 2.574 -5.652 590 H LEU 65 H LEU 65 3.118 5.167 -3.764 591 HA LEU 65 HA LEU 65 0.456 6.304 -3.761 592 1HB LEU 65 2HB LEU 65 0.861 7.497 -1.620 593 2HB LEU 65 1HB LEU 65 0.650 5.772 -1.447 594 HG LEU 65 HG LEU 65 3.316 5.895 -1.611 595 1HD1 LEU 65 2HD1 LEU 65 2.507 8.507 -0.409 596 2HD1 LEU 65 1HD1 LEU 65 4.060 7.715 -0.118 597 3HD1 LEU 65 3HD1 LEU 65 3.606 8.190 -1.751 598 1HD2 LEU 65 1HD2 LEU 65 2.059 4.716 0.074 599 2HD2 LEU 65 3HD2 LEU 65 3.375 5.637 0.774 600 3HD2 LEU 65 2HD2 LEU 65 1.718 6.237 0.920 601 MD1 LEU 65 QD1 LEU 65 3.391 8.138 -0.759 602 MD2 LEU 65 QD2 LEU 65 2.384 5.530 0.589 603 QB LEU 65 QB LEU 65 0.756 6.634 -1.534 604 QD LEU 65 QQD LEU 65 2.888 6.834 -0.085 605 H GLU 66 H GLU 66 0.404 8.479 -4.127 606 HA GLU 66 HA GLU 66 2.830 9.760 -5.203 607 1HB GLU 66 2HB GLU 66 -0.074 10.605 -5.437 608 2HB GLU 66 1HB GLU 66 1.293 11.148 -6.383 609 1HG GLU 66 2HG GLU 66 1.337 9.092 -7.608 610 2HG GLU 66 1HG GLU 66 0.087 8.395 -6.570 611 QB GLU 66 QB GLU 66 0.609 10.877 -5.910 612 QG GLU 66 QG GLU 66 0.712 8.744 -7.089 613 H GLY 67 H GLY 67 3.631 11.354 -3.776 614 1HA GLY 67 1HA GLY 67 2.551 11.984 -1.348 615 2HA GLY 67 2HA GLY 67 1.766 13.073 -2.489 616 QA GLY 67 QA GLY 67 2.159 12.528 -1.918 617 H HIS 68 H HIS 68 3.101 14.557 -0.852 618 HA HIS 68 HA HIS 68 5.451 15.466 -2.192 619 1HB HIS 68 2HB HIS 68 4.218 17.124 -0.953 620 2HB HIS 68 1HB HIS 68 4.269 16.211 0.521 621 HD1 HIS 68 1HD HIS 68 6.295 16.553 2.068 622 HD2 HIS 68 2HD HIS 68 6.344 18.392 -1.554 623 HE1 HIS 68 1HE HIS 68 8.377 17.882 2.178 624 HE2 HIS 68 2HE HIS 68 8.583 18.884 -0.149 625 QB HIS 68 QB HIS 68 4.243 16.668 -0.216 626 HA PRO 69 HA PRO 69 8.549 12.454 -1.161 627 1HB PRO 69 2HB PRO 69 10.343 14.468 -0.126 628 2HB PRO 69 1HB PRO 69 10.452 13.543 -1.622 629 1HG PRO 69 2HG PRO 69 9.389 16.250 -1.182 630 2HG PRO 69 1HG PRO 69 9.925 15.485 -2.686 631 1HD PRO 69 2HD PRO 69 7.359 16.027 -2.206 632 2HD PRO 69 1HD PRO 69 7.835 14.566 -3.101 633 QB PRO 69 QB PRO 69 10.397 14.005 -0.874 634 QG PRO 69 QG PRO 69 9.657 15.868 -1.934 635 QD PRO 69 QD PRO 69 7.597 15.297 -2.653 636 H ALA 70 H ALA 70 8.225 14.910 1.372 637 HA ALA 70 HA ALA 70 9.317 13.045 3.227 638 1HB ALA 70 2HB ALA 70 9.542 15.595 3.372 639 2HB ALA 70 3HB ALA 70 9.229 14.673 4.880 640 3HB ALA 70 1HB ALA 70 7.914 15.509 4.040 641 MB ALA 70 QB ALA 70 8.895 15.259 4.097 642 H ALA 71 H ALA 71 6.162 13.801 2.346 643 HA ALA 71 HA ALA 71 4.860 12.646 4.553 644 1HB ALA 71 1HB ALA 71 4.191 12.661 1.697 645 2HB ALA 71 3HB ALA 71 3.024 12.307 2.962 646 3HB ALA 71 2HB ALA 71 3.706 13.952 2.832 647 MB ALA 71 QB ALA 71 3.640 12.973 2.497 648 H VAL 72 H VAL 72 5.926 11.623 1.461 649 HA VAL 72 HA VAL 72 5.212 8.922 1.367 650 HB VAL 72 HB VAL 72 7.821 9.972 0.275 651 1HG1 VAL 72 3HG1 VAL 72 7.250 7.631 -0.006 652 2HG1 VAL 72 2HG1 VAL 72 5.776 8.190 -0.809 653 3HG1 VAL 72 1HG1 VAL 72 7.348 8.519 -1.553 654 1HG2 VAL 72 3HG2 VAL 72 5.096 10.557 -0.827 655 2HG2 VAL 72 2HG2 VAL 72 6.366 11.674 -0.227 656 3HG2 VAL 72 1HG2 VAL 72 6.636 10.746 -1.708 657 MG1 VAL 72 QG1 VAL 72 6.791 8.113 -0.789 658 MG2 VAL 72 QG2 VAL 72 6.033 10.992 -0.921 659 QG VAL 72 QQG VAL 72 6.412 9.553 -0.855 660 H ALA 73 H ALA 73 8.125 10.540 2.478 661 HA ALA 73 HA ALA 73 9.362 8.202 3.304 662 1HB ALA 73 3HB ALA 73 9.903 10.981 4.158 663 2HB ALA 73 2HB ALA 73 10.900 9.486 4.420 664 3HB ALA 73 1HB ALA 73 10.618 10.096 2.769 665 MB ALA 73 QB ALA 73 10.474 10.188 3.783 666 H GLU 74 H GLU 74 7.425 10.541 5.087 667 HA GLU 74 HA GLU 74 7.815 9.488 7.701 668 1HB GLU 74 2HB GLU 74 6.609 11.648 7.216 669 2HB GLU 74 1HB GLU 74 5.275 10.716 6.562 670 1HG GLU 74 2HG GLU 74 5.844 9.787 9.206 671 2HG GLU 74 1HG GLU 74 5.681 11.538 9.234 672 QB GLU 74 QB GLU 74 5.942 11.182 6.889 673 QG GLU 74 QG GLU 74 5.762 10.663 9.220 674 H VAL 75 H VAL 75 5.540 8.794 5.179 675 HA VAL 75 HA VAL 75 4.264 6.615 6.301 676 HB VAL 75 HB VAL 75 4.783 7.485 3.447 677 1HG1 VAL 75 2HG1 VAL 75 3.161 5.114 4.332 678 2HG1 VAL 75 1HG1 VAL 75 3.167 5.853 2.717 679 3HG1 VAL 75 3HG1 VAL 75 4.637 5.113 3.343 680 1HG2 VAL 75 3HG2 VAL 75 2.305 7.389 5.142 681 2HG2 VAL 75 2HG2 VAL 75 3.242 8.821 4.724 682 3HG2 VAL 75 1HG2 VAL 75 2.384 7.934 3.467 683 MG1 VAL 75 QG1 VAL 75 3.655 5.360 3.464 684 MG2 VAL 75 QG2 VAL 75 2.644 8.048 4.444 685 QG VAL 75 QQG VAL 75 3.149 6.704 3.954 686 H MET 76 H MET 76 7.179 6.685 4.087 687 HA MET 76 HA MET 76 7.781 4.059 4.141 688 1HB MET 76 2HB MET 76 9.690 6.390 4.164 689 2HB MET 76 1HB MET 76 10.170 4.771 3.776 690 1HG MET 76 2HG MET 76 8.036 6.115 2.322 691 2HG MET 76 1HG MET 76 9.716 6.441 1.850 692 1HE MET 76 1HE MET 76 6.699 4.269 2.039 693 2HE MET 76 3HE MET 76 7.043 2.807 1.094 694 3HE MET 76 2HE MET 76 7.734 2.963 2.706 695 QB MET 76 QB MET 76 9.930 5.580 3.970 696 QG MET 76 QG MET 76 8.876 6.278 2.086 697 ME MET 76 QE MET 76 7.159 3.346 1.947 698 H SER 77 H SER 77 8.929 6.486 6.469 699 HA SER 77 HA SER 77 10.506 4.795 8.049 700 1HB SER 77 2HB SER 77 10.401 7.335 8.205 701 2HB SER 77 1HB SER 77 8.860 7.153 9.023 702 HG SER 77 HG SER 77 11.353 6.145 9.855 703 QB SER 77 QB SER 77 9.631 7.244 8.614 704 H HIS 78 H HIS 78 7.079 5.463 8.261 705 HA HIS 78 HA HIS 78 6.674 3.814 10.536 706 1HB HIS 78 2HB HIS 78 4.804 4.975 8.486 707 2HB HIS 78 1HB HIS 78 4.254 3.895 9.764 708 HD1 HIS 78 1HD HIS 78 4.072 7.350 9.204 709 HD2 HIS 78 2HD HIS 78 5.652 5.113 12.340 710 HE1 HIS 78 1HE HIS 78 3.967 8.796 11.178 711 HE2 HIS 78 2HE HIS 78 4.424 7.223 13.048 712 QB HIS 78 QB HIS 78 4.529 4.435 9.125 713 H ILE 79 H ILE 79 6.408 3.276 7.126 714 HA ILE 79 HA ILE 79 5.323 0.630 7.264 715 HB ILE 79 HB ILE 79 6.164 2.562 5.220 716 1HG1 ILE 79 2HG1 ILE 79 3.669 0.914 5.570 717 2HG1 ILE 79 1HG1 ILE 79 3.924 2.592 6.038 718 1HG2 ILE 79 2HG2 ILE 79 6.297 -0.301 4.704 719 2HG2 ILE 79 1HG2 ILE 79 5.630 0.787 3.430 720 3HG2 ILE 79 3HG2 ILE 79 7.234 1.029 4.095 721 1HD1 ILE 79 2HD1 ILE 79 4.336 3.087 3.668 722 2HD1 ILE 79 1HD1 ILE 79 3.777 1.468 3.264 723 3HD1 ILE 79 3HD1 ILE 79 2.677 2.610 4.079 724 MG ILE 79 QG2 ILE 79 6.387 0.505 4.076 725 MD ILE 79 QD1 ILE 79 3.597 2.388 3.670 726 QG ILE 79 QG1 ILE 79 3.796 1.753 5.804 727 H GLN 80 H GLN 80 8.566 1.796 6.562 728 HA GLN 80 HA GLN 80 9.705 -0.696 6.184 729 1HB GLN 80 2HB GLN 80 10.894 1.936 7.047 730 2HB GLN 80 1HB GLN 80 11.834 0.541 6.517 731 1HG GLN 80 2HG GLN 80 9.829 2.068 4.761 732 2HG GLN 80 1HG GLN 80 11.531 2.099 4.605 733 1HE2 GLN 80 1HE2 GLN 80 8.828 0.193 4.187 734 2HE2 GLN 80 2HE2 GLN 80 9.721 -0.903 3.170 735 QB GLN 80 QB GLN 80 11.364 1.239 6.782 736 QG GLN 80 QG GLN 80 10.680 2.083 4.683 737 QE GLN 80 QE2 GLN 80 9.275 -0.355 3.679 738 H ARG 81 H ARG 81 8.578 0.752 9.042 739 HA ARG 81 HA ARG 81 10.050 -0.905 10.908 740 1HB ARG 81 2HB ARG 81 7.427 0.589 11.163 741 2HB ARG 81 1HB ARG 81 8.168 -0.316 12.470 742 1HG ARG 81 2HG ARG 81 9.994 1.118 12.567 743 2HG ARG 81 1HG ARG 81 9.511 1.958 11.082 744 1HD ARG 81 2HD ARG 81 8.920 3.274 13.044 745 2HD ARG 81 1HD ARG 81 7.482 2.745 12.188 746 HE ARG 81 HE ARG 81 8.468 1.346 14.587 747 1HH1 ARG 81 1HH1 ARG 81 5.755 2.697 12.723 748 2HH1 ARG 81 2HH1 ARG 81 4.660 2.536 13.976 749 1HH2 ARG 81 1HH2 ARG 81 6.836 1.104 16.347 750 2HH2 ARG 81 2HH2 ARG 81 5.248 1.619 16.069 751 QB ARG 81 QB ARG 81 7.798 0.137 11.817 752 QG ARG 81 QG ARG 81 9.753 1.538 11.825 753 QD ARG 81 QD ARG 81 8.201 3.009 12.616 754 QH1 ARG 81 QH1 ARG 81 5.208 2.617 13.349 755 QH2 ARG 81 QH2 ARG 81 6.042 1.361 16.208 756 H ASP 82 H ASP 82 8.573 -2.030 8.554 757 HA ASP 82 HA ASP 82 6.441 -3.398 8.609 758 1HB ASP 82 2HB ASP 82 7.452 -3.822 6.896 759 2HB ASP 82 1HB ASP 82 9.040 -4.268 7.494 760 QB ASP 82 QB ASP 82 8.246 -4.045 7.195 761 H ARG 83 H ARG 83 5.464 -5.142 8.972 762 HA ARG 83 HA ARG 83 5.746 -6.736 11.239 763 1HB ARG 83 2HB ARG 83 4.215 -5.357 12.754 764 2HB ARG 83 1HB ARG 83 5.852 -4.745 12.555 765 1HG ARG 83 2HG ARG 83 5.055 -3.172 10.866 766 2HG ARG 83 1HG ARG 83 3.419 -3.745 11.079 767 1HD ARG 83 2HD ARG 83 3.605 -3.119 13.540 768 2HD ARG 83 1HD ARG 83 5.106 -2.292 13.128 769 HE ARG 83 HE ARG 83 3.320 -1.262 11.375 770 1HH1 ARG 83 1HH1 ARG 83 3.423 -1.430 14.944 771 2HH1 ARG 83 2HH1 ARG 83 2.358 -0.117 15.125 772 1HH2 ARG 83 1HH2 ARG 83 1.879 0.585 11.743 773 2HH2 ARG 83 2HH2 ARG 83 1.513 1.013 13.355 774 QB ARG 83 QB ARG 83 5.033 -5.051 12.655 775 QG ARG 83 QG ARG 83 4.237 -3.459 10.972 776 QD ARG 83 QD ARG 83 4.356 -2.705 13.334 777 QH1 ARG 83 QH1 ARG 83 2.891 -0.774 15.034 778 QH2 ARG 83 QH2 ARG 83 1.696 0.799 12.549 779 H ARG 84 H ARG 84 3.452 -4.657 9.408 780 HA ARG 84 HA ARG 84 1.474 -6.817 9.395 781 1HB ARG 84 2HB ARG 84 1.222 -3.883 8.942 782 2HB ARG 84 1HB ARG 84 0.055 -5.004 8.266 783 1HG ARG 84 2HG ARG 84 -0.821 -4.076 10.271 784 2HG ARG 84 1HG ARG 84 -0.451 -5.772 10.552 785 1HD ARG 84 2HD ARG 84 1.459 -5.205 11.853 786 2HD ARG 84 1HD ARG 84 1.367 -3.509 11.345 787 HE ARG 84 HE ARG 84 -1.002 -3.828 12.378 788 1HH1 ARG 84 1HH1 ARG 84 2.090 -4.859 13.827 789 2HH1 ARG 84 2HH1 ARG 84 1.549 -4.646 15.414 790 1HH2 ARG 84 1HH2 ARG 84 -1.722 -3.675 14.508 791 2HH2 ARG 84 2HH2 ARG 84 -0.691 -3.986 15.837 792 QB ARG 84 QB ARG 84 0.639 -4.444 8.604 793 QG ARG 84 QG ARG 84 -0.636 -4.924 10.412 794 QD ARG 84 QD ARG 84 1.413 -4.357 11.599 795 QH1 ARG 84 QH1 ARG 84 1.820 -4.753 14.620 796 QH2 ARG 84 QH2 ARG 84 -1.207 -3.830 15.172 797 H HIS 85 H HIS 85 3.890 -6.673 7.572 798 HA HIS 85 HA HIS 85 2.563 -7.595 5.352 799 1HB HIS 85 2HB HIS 85 3.866 -6.060 3.696 800 2HB HIS 85 1HB HIS 85 2.387 -5.447 4.357 801 HD1 HIS 85 1HD HIS 85 3.254 -3.047 3.667 802 HD2 HIS 85 2HD HIS 85 5.672 -4.872 6.522 803 HE1 HIS 85 1HE HIS 85 4.760 -1.309 4.612 804 HE2 HIS 85 2HE HIS 85 6.020 -2.416 6.421 805 QB HIS 85 QB HIS 85 3.126 -5.754 4.027 806 H SER 86 H SER 86 4.880 -7.540 3.683 807 HA SER 86 HA SER 86 6.770 -8.577 5.539 808 1HB SER 86 2HB SER 86 5.357 -9.738 3.552 809 2HB SER 86 1HB SER 86 6.989 -10.503 3.691 810 HG SER 86 HG SER 86 5.822 -10.164 6.091 811 QB SER 86 QB SER 86 6.173 -10.120 3.621 812 H ASN 87 H ASN 87 8.521 -7.611 5.242 813 HA ASN 87 HA ASN 87 10.512 -7.066 4.458 814 1HB ASN 87 2HB ASN 87 9.723 -8.116 1.746 815 2HB ASN 87 1HB ASN 87 11.348 -7.636 2.212 816 1HD2 ASN 87 1HD2 ASN 87 10.488 -10.180 1.250 817 2HD2 ASN 87 2HD2 ASN 87 10.801 -11.336 2.477 818 QB ASN 87 QB ASN 87 10.535 -7.876 1.979 819 QD ASN 87 QD2 ASN 87 10.644 -10.758 1.863 820 H VAL 88 H VAL 88 8.003 -6.013 2.746 821 HA VAL 88 HA VAL 88 7.719 -4.345 1.359 822 HB VAL 88 HB VAL 88 6.727 -3.697 3.230 823 1HG1 VAL 88 2HG1 VAL 88 8.365 -3.885 4.842 824 2HG1 VAL 88 1HG1 VAL 88 9.207 -2.391 4.297 825 3HG1 VAL 88 3HG1 VAL 88 7.524 -2.295 4.884 826 1HG2 VAL 88 1HG2 VAL 88 6.788 -1.984 1.476 827 2HG2 VAL 88 3HG2 VAL 88 6.589 -1.294 3.071 828 3HG2 VAL 88 2HG2 VAL 88 8.144 -1.193 2.312 829 MG1 VAL 88 QG1 VAL 88 8.366 -2.857 4.674 830 MG2 VAL 88 QG2 VAL 88 7.174 -1.490 2.286 831 QG VAL 88 QQG VAL 88 7.770 -2.174 3.480 832 H GLU 89 H GLU 89 9.031 -4.695 -0.057 833 HA GLU 89 HA GLU 89 11.491 -3.209 -0.180 834 1HB GLU 89 2HB GLU 89 10.212 -5.109 -2.118 835 2HB GLU 89 1HB GLU 89 11.883 -4.541 -2.145 836 1HG GLU 89 2HG GLU 89 12.499 -5.750 -0.366 837 2HG GLU 89 1HG GLU 89 10.834 -5.785 0.230 838 QB GLU 89 QB GLU 89 11.048 -4.825 -2.132 839 QG GLU 89 QG GLU 89 11.667 -5.767 -0.068 840 H ILE 90 H ILE 90 10.551 -1.213 -0.251 841 HA ILE 90 HA ILE 90 8.969 0.118 -2.087 842 HB ILE 90 HB ILE 90 11.739 1.136 -1.684 843 1HG1 ILE 90 2HG1 ILE 90 11.327 0.239 0.495 844 2HG1 ILE 90 1HG1 ILE 90 11.152 1.978 0.585 845 1HG2 ILE 90 1HG2 ILE 90 10.022 2.605 -2.824 846 2HG2 ILE 90 3HG2 ILE 90 9.041 2.506 -1.349 847 3HG2 ILE 90 2HG2 ILE 90 10.576 3.302 -1.309 848 1HD1 ILE 90 2HD1 ILE 90 8.754 1.751 0.458 849 2HD1 ILE 90 1HD1 ILE 90 8.930 -0.006 0.398 850 3HD1 ILE 90 3HD1 ILE 90 9.417 0.880 1.855 851 MG ILE 90 QG2 ILE 90 9.879 2.804 -1.827 852 MD ILE 90 QD1 ILE 90 9.034 0.875 0.904 853 QG ILE 90 QG1 ILE 90 11.240 1.109 0.540 854 H LEU 91 H LEU 91 12.278 -0.242 -2.644 855 HA LEU 91 HA LEU 91 13.547 -0.763 -4.430 856 1HB LEU 91 2HB LEU 91 11.066 -2.117 -5.470 857 2HB LEU 91 1HB LEU 91 12.656 -2.274 -6.181 858 HG LEU 91 HG LEU 91 11.882 -3.207 -3.401 859 1HD1 LEU 91 2HD1 LEU 91 12.436 -4.742 -5.932 860 2HD1 LEU 91 1HD1 LEU 91 12.164 -5.442 -4.334 861 3HD1 LEU 91 3HD1 LEU 91 10.871 -4.554 -5.140 862 1HD2 LEU 91 3HD2 LEU 91 14.461 -3.529 -4.946 863 2HD2 LEU 91 2HD2 LEU 91 14.230 -2.523 -3.518 864 3HD2 LEU 91 1HD2 LEU 91 14.082 -4.272 -3.394 865 MD1 LEU 91 QD1 LEU 91 11.824 -4.913 -5.135 866 MD2 LEU 91 QD2 LEU 91 14.258 -3.441 -3.953 867 QB LEU 91 QB LEU 91 11.861 -2.195 -5.826 868 QD LEU 91 QQD LEU 91 13.041 -4.177 -4.544 869 H ALA 92 H ALA 92 10.734 1.095 -4.910 870 HA ALA 92 HA ALA 92 12.132 2.507 -7.060 871 1HB ALA 92 2HB ALA 92 10.623 1.019 -8.232 872 2HB ALA 92 3HB ALA 92 10.063 2.694 -8.362 873 3HB ALA 92 1HB ALA 92 9.277 1.596 -7.235 874 MB ALA 92 QB ALA 92 9.988 1.770 -7.943 875 H GLU 93 H GLU 93 12.319 4.503 -6.349 876 HA GLU 93 HA GLU 93 9.898 5.838 -5.403 877 1HB GLU 93 2HB GLU 93 12.704 6.415 -4.318 878 2HB GLU 93 1HB GLU 93 11.203 7.260 -3.944 879 1HG GLU 93 2HG GLU 93 10.272 5.443 -2.946 880 2HG GLU 93 1HG GLU 93 11.704 4.437 -3.266 881 QB GLU 93 QB GLU 93 11.953 6.838 -4.131 882 QG GLU 93 QG GLU 93 10.988 4.940 -3.106 883 H GLU 94 H GLU 94 9.339 7.240 -6.869 884 HA GLU 94 HA GLU 94 11.437 8.475 -8.509 885 1HB GLU 94 2HB GLU 94 9.729 8.521 -10.366 886 2HB GLU 94 1HB GLU 94 10.337 6.936 -9.925 887 1HG GLU 94 2HG GLU 94 8.311 6.448 -8.722 888 2HG GLU 94 1HG GLU 94 7.688 8.075 -9.032 889 QB GLU 94 QB GLU 94 10.033 7.729 -10.146 890 QG GLU 94 QG GLU 94 7.999 7.262 -8.877 891 H SER 95 H SER 95 11.272 10.652 -8.952 892 HA SER 95 HA SER 95 9.505 12.241 -7.342 893 1HB SER 95 2HB SER 95 10.636 14.061 -8.825 894 2HB SER 95 1HB SER 95 11.630 13.183 -7.660 895 HG SER 95 HG SER 95 11.937 13.358 -10.278 896 QB SER 95 QB SER 95 11.133 13.622 -8.242 897 H ILE 96 H ILE 96 7.582 12.961 -7.865 898 HA ILE 96 HA ILE 96 6.757 12.529 -10.654 899 HB ILE 96 HB ILE 96 4.593 11.930 -9.996 900 1HG1 ILE 96 2HG1 ILE 96 5.613 11.523 -7.204 901 2HG1 ILE 96 1HG1 ILE 96 4.831 13.019 -7.682 902 1HG2 ILE 96 2HG2 ILE 96 6.287 10.254 -10.504 903 2HG2 ILE 96 1HG2 ILE 96 6.768 10.200 -8.812 904 3HG2 ILE 96 3HG2 ILE 96 5.167 9.625 -9.289 905 1HD1 ILE 96 2HD1 ILE 96 3.462 10.391 -8.056 906 2HD1 ILE 96 1HD1 ILE 96 3.466 11.308 -6.518 907 3HD1 ILE 96 3HD1 ILE 96 2.839 12.046 -7.958 908 MG ILE 96 QG2 ILE 96 6.074 10.026 -9.535 909 MD ILE 96 QD1 ILE 96 3.256 11.248 -7.510 910 QG ILE 96 QG1 ILE 96 5.222 12.271 -7.443 911 H ALA 97 H ALA 97 4.721 13.501 -11.262 912 HA ALA 97 HA ALA 97 4.506 16.183 -10.167 913 1HB ALA 97 1HB ALA 97 4.967 15.955 -12.608 914 2HB ALA 97 2HB ALA 97 3.443 16.805 -12.194 915 3HB ALA 97 3HB ALA 97 3.391 15.117 -12.677 916 MB ALA 97 QB ALA 97 3.934 15.959 -12.493 917 H LYS 98 H LYS 98 3.356 13.488 -9.807 918 HA LYS 98 HA LYS 98 1.494 12.391 -9.124 919 1HB LYS 98 2HB LYS 98 2.122 14.161 -7.583 920 2HB LYS 98 1HB LYS 98 0.817 15.108 -8.237 921 1HG LYS 98 2HG LYS 98 -0.099 12.520 -7.516 922 2HG LYS 98 1HG LYS 98 0.965 13.198 -6.343 923 1HD LYS 98 2HD LYS 98 -0.834 15.209 -7.100 924 2HD LYS 98 1HD LYS 98 -1.691 13.811 -6.370 925 1HE LYS 98 2HE LYS 98 -0.026 13.790 -4.729 926 2HE LYS 98 1HE LYS 98 0.683 15.265 -5.408 927 1HZ LYS 98 2HZ LYS 98 -2.092 15.080 -4.284 928 2HZ LYS 98 1HZ LYS 98 -0.802 15.834 -3.501 929 3HZ LYS 98 3HZ LYS 98 -1.389 16.458 -4.949 930 QB LYS 98 QB LYS 98 1.470 14.634 -7.910 931 QD LYS 98 QD LYS 98 -1.262 14.510 -6.735 932 QG LYS 98 QG LYS 98 0.433 12.859 -6.930 933 QE LYS 98 QE LYS 98 0.328 14.528 -5.069 934 QZ LYS 98 QZ LYS 98 -1.428 15.791 -4.245 935 H ARG 99 H ARG 99 -1.034 12.978 -8.916 936 HA ARG 99 HA ARG 99 -3.048 13.528 -9.870 937 1HB ARG 99 2HB ARG 99 -1.322 14.720 -12.042 938 2HB ARG 99 1HB ARG 99 -3.079 14.677 -12.194 939 1HG ARG 99 2HG ARG 99 -1.620 16.055 -9.940 940 2HG ARG 99 1HG ARG 99 -1.980 16.852 -11.466 941 1HD ARG 99 2HD ARG 99 -3.694 17.493 -9.968 942 2HD ARG 99 1HD ARG 99 -4.402 16.295 -11.035 943 HE ARG 99 HE ARG 99 -3.391 15.364 -8.479 944 1HH1 ARG 99 1HH1 ARG 99 -6.208 16.368 -10.399 945 2HH1 ARG 99 2HH1 ARG 99 -7.357 15.705 -9.342 946 1HH2 ARG 99 1HH2 ARG 99 -5.029 14.525 -6.930 947 2HH2 ARG 99 2HH2 ARG 99 -6.678 14.669 -7.348 948 QB ARG 99 QB ARG 99 -2.200 14.698 -12.118 949 QG ARG 99 QG ARG 99 -1.800 16.454 -10.703 950 QD ARG 99 QD ARG 99 -4.048 16.894 -10.501 951 QH1 ARG 99 QH1 ARG 99 -6.783 16.037 -9.870 952 QH2 ARG 99 QH2 ARG 99 -5.854 14.597 -7.139 953 H ARG 100 H ARG 100 -1.556 11.102 -10.057 954 HA ARG 100 HA ARG 100 -2.496 9.994 -12.548 955 1HB ARG 100 2HB ARG 100 -1.133 8.681 -10.205 956 2HB ARG 100 1HB ARG 100 -1.398 7.965 -11.792 957 1HG ARG 100 2HG ARG 100 0.053 9.569 -12.818 958 2HG ARG 100 1HG ARG 100 0.194 10.435 -11.280 959 1HD ARG 100 2HD ARG 100 1.300 8.496 -10.280 960 2HD ARG 100 1HD ARG 100 1.107 7.586 -11.774 961 HE ARG 100 HE ARG 100 2.492 9.969 -12.283 962 1HH1 ARG 100 1HH1 ARG 100 3.048 6.772 -10.756 963 2HH1 ARG 100 2HH1 ARG 100 4.720 6.829 -11.030 964 1HH2 ARG 100 1HH2 ARG 100 4.842 9.911 -12.644 965 2HH2 ARG 100 2HH2 ARG 100 5.730 8.557 -12.035 966 QB ARG 100 QB ARG 100 -1.266 8.323 -10.998 967 QG ARG 100 QG ARG 100 0.124 10.002 -12.049 968 QD ARG 100 QD ARG 100 1.204 8.041 -11.027 969 QH1 ARG 100 QH1 ARG 100 3.884 6.800 -10.893 970 QH2 ARG 100 QH2 ARG 100 5.286 9.234 -12.340 971 H PHE 101 H PHE 101 -2.964 9.208 -9.061 972 HA PHE 101 HA PHE 101 -5.431 7.920 -9.953 973 1HB PHE 101 2HB PHE 101 -3.547 7.110 -7.798 974 2HB PHE 101 1HB PHE 101 -5.249 6.694 -7.614 975 HD1 PHE 101 1HD PHE 101 -5.951 4.687 -8.444 976 HD2 PHE 101 2HD PHE 101 -2.563 6.547 -10.222 977 HE1 PHE 101 1HE PHE 101 -5.681 2.757 -9.941 978 HE2 PHE 101 2HE PHE 101 -2.289 4.615 -11.720 979 HZ PHE 101 HZ PHE 101 -3.850 2.719 -11.581 980 QB PHE 101 QB PHE 101 -4.398 6.902 -7.706 981 QD PHE 101 QD PHE 101 -4.257 5.617 -9.333 982 QE PHE 101 QE PHE 101 -3.985 3.686 -10.830 983 QR PHE 101 QR PHE 101 -4.067 4.265 -10.382 984 H ALA 102 H ALA 102 -4.426 10.400 -8.356 985 HA ALA 102 HA ALA 102 -5.467 12.220 -7.419 986 1HB ALA 102 1HB ALA 102 -6.935 11.972 -9.363 987 2HB ALA 102 2HB ALA 102 -7.757 12.682 -7.968 988 3HB ALA 102 3HB ALA 102 -8.015 10.986 -8.379 989 MB ALA 102 QB ALA 102 -7.569 11.880 -8.570 990 H GLY 103 H GLY 103 -6.522 9.252 -6.239 991 1HA GLY 103 1HA GLY 103 -8.050 9.513 -4.088 992 2HA GLY 103 2HA GLY 103 -6.594 10.372 -3.550 993 QA GLY 103 QA GLY 103 -7.322 9.942 -3.819 994 H TRP 104 H TRP 104 -6.496 8.380 -1.921 995 HA TRP 104 HA TRP 104 -4.983 6.316 -3.274 996 1HB TRP 104 2HB TRP 104 -3.932 7.171 -1.235 997 2HB TRP 104 1HB TRP 104 -5.411 6.914 -0.335 998 HD1 TRP 104 HD TRP 104 -2.241 5.091 -1.389 999 HE1 TRP 104 1HE TRP 104 -2.261 2.781 -0.309 1000 HE3 TRP 104 3HE TRP 104 -7.021 5.075 0.389 1001 HZ2 TRP 104 2HZ TRP 104 -4.170 1.166 1.150 1002 HZ3 TRP 104 3HZ TRP 104 -7.836 3.359 1.504 1003 HH2 TRP 104 HH TRP 104 -6.546 1.375 1.943 1004 QB TRP 104 QB TRP 104 -4.671 7.043 -0.785 1005 H HIS 105 H HIS 105 -5.483 4.096 -3.278 1006 HA HIS 105 HA HIS 105 -8.309 3.535 -2.701 1007 1HB HIS 105 2HB HIS 105 -6.742 3.108 -5.202 1008 2HB HIS 105 1HB HIS 105 -8.332 2.359 -4.936 1009 HD1 HIS 105 1HD HIS 105 -6.604 5.495 -5.937 1010 HD2 HIS 105 2HD HIS 105 -10.475 4.285 -5.038 1011 HE1 HIS 105 1HE HIS 105 -8.097 7.304 -6.806 1012 HE2 HIS 105 2HE HIS 105 -10.410 6.408 -6.487 1013 QB HIS 105 QB HIS 105 -7.537 2.733 -5.069 1014 H MET 106 H MET 106 -8.695 1.254 -2.437 1015 HA MET 106 HA MET 106 -6.331 -0.448 -2.526 1016 1HB MET 106 2HB MET 106 -6.952 0.153 -0.131 1017 2HB MET 106 1HB MET 106 -8.506 -0.625 -0.408 1018 1HG MET 106 2HG MET 106 -7.370 -2.748 -0.831 1019 2HG MET 106 1HG MET 106 -5.815 -1.960 -0.587 1020 1HE MET 106 2HE MET 106 -6.432 -4.582 0.952 1021 2HE MET 106 1HE MET 106 -4.977 -3.655 1.312 1022 3HE MET 106 3HE MET 106 -6.040 -4.171 2.624 1023 QB MET 106 QB MET 106 -7.729 -0.236 -0.269 1024 QG MET 106 QG MET 106 -6.592 -2.354 -0.709 1025 ME MET 106 QE MET 106 -5.816 -4.136 1.629 1026 H GLN 107 H GLN 107 -6.754 -2.309 -3.677 1027 HA GLN 107 HA GLN 107 -9.351 -2.337 -4.945 1028 1HB GLN 107 2HB GLN 107 -8.419 -3.781 -6.593 1029 2HB GLN 107 1HB GLN 107 -7.161 -2.629 -6.192 1030 1HG GLN 107 2HG GLN 107 -5.884 -4.492 -6.203 1031 2HG GLN 107 1HG GLN 107 -6.480 -4.665 -4.547 1032 1HE2 GLN 107 1HE2 GLN 107 -6.277 -7.008 -4.627 1033 2HE2 GLN 107 2HE2 GLN 107 -7.370 -7.900 -5.579 1034 QB GLN 107 QB GLN 107 -7.790 -3.205 -6.392 1035 QG GLN 107 QG GLN 107 -6.182 -4.579 -5.375 1036 QE GLN 107 QE2 GLN 107 -6.824 -7.454 -5.103 1037 H LEU 108 H LEU 108 -8.785 -3.234 -2.120 1038 HA LEU 108 HA LEU 108 -9.171 -5.998 -1.848 1039 1HB LEU 108 2HB LEU 108 -8.339 -4.597 -0.033 1040 2HB LEU 108 1HB LEU 108 -9.870 -3.757 0.046 1041 HG LEU 108 HG LEU 108 -10.956 -5.856 0.808 1042 1HD1 LEU 108 1HD1 LEU 108 -8.147 -6.945 0.816 1043 2HD1 LEU 108 3HD1 LEU 108 -9.553 -7.726 1.544 1044 3HD1 LEU 108 2HD1 LEU 108 -9.491 -7.488 -0.200 1045 1HD2 LEU 108 2HD2 LEU 108 -8.578 -4.978 2.449 1046 2HD2 LEU 108 1HD2 LEU 108 -10.176 -4.222 2.440 1047 3HD2 LEU 108 3HD2 LEU 108 -9.971 -5.861 3.058 1048 MD1 LEU 108 QD1 LEU 108 -9.064 -7.386 0.720 1049 MD2 LEU 108 QD2 LEU 108 -9.575 -5.021 2.649 1050 QB LEU 108 QB LEU 108 -9.104 -4.177 0.006 1051 QD LEU 108 QQD LEU 108 -9.319 -6.203 1.685 1052 H SER 109 H SER 109 -11.557 -3.390 -1.216 1053 HA SER 109 HA SER 109 -13.769 -3.316 -1.234 1054 1HB SER 109 2HB SER 109 -13.340 -3.480 -3.695 1055 2HB SER 109 1HB SER 109 -13.460 -5.226 -3.597 1056 HG SER 109 HG SER 109 -15.688 -4.228 -2.550 1057 QB SER 109 QB SER 109 -13.400 -4.353 -3.646 1058 H CYS 110 H CYS 110 -14.012 -6.570 -2.409 1059 HA CYS 110 HA CYS 110 -14.198 -7.824 0.189 1060 1HB CYS 110 2HB CYS 110 -16.568 -7.742 -1.726 1061 2HB CYS 110 1HB CYS 110 -16.456 -8.799 -0.326 1062 HG CYS 110 HG CYS 110 -15.946 -5.722 0.580 1063 QB CYS 110 QB CYS 110 -16.512 -8.271 -1.026 1064 H SER 111 H SER 111 -12.567 -7.772 -2.254 1065 HA SER 111 HA SER 111 -11.807 -8.825 -3.978 1066 1HB SER 111 2HB SER 111 -11.499 -11.412 -3.675 1067 2HB SER 111 1HB SER 111 -10.675 -10.320 -2.565 1068 HG SER 111 HG SER 111 -12.843 -10.690 -1.342 1069 QB SER 111 QB SER 111 -11.087 -10.866 -3.120 1070 H GLU 112 H GLU 112 -14.343 -11.204 -3.308 1071 HA GLU 112 HA GLU 112 -15.938 -10.072 -5.304 1072 1HB GLU 112 2HB GLU 112 -16.152 -11.913 -6.898 1073 2HB GLU 112 1HB GLU 112 -14.477 -11.402 -6.848 1074 1HG GLU 112 2HG GLU 112 -15.694 -13.897 -5.665 1075 2HG GLU 112 1HG GLU 112 -14.660 -13.787 -7.075 1076 QB GLU 112 QB GLU 112 -15.315 -11.658 -6.873 1077 QG GLU 112 QG GLU 112 -15.177 -13.842 -6.370 1078 H ALA 113 H ALA 113 -15.379 -13.080 -3.486 1079 HA ALA 113 HA ALA 113 -16.716 -14.344 -2.163 1080 1HB ALA 113 2HB ALA 113 -16.865 -12.280 -0.803 1081 2HB ALA 113 3HB ALA 113 -18.382 -13.178 -0.744 1082 3HB ALA 113 1HB ALA 113 -18.243 -11.742 -1.760 1083 MB ALA 113 QB ALA 113 -17.830 -12.400 -1.102 1084 H ASP 114 H ASP 114 -17.213 -13.981 -4.906 1085 HA ASP 114 HA ASP 114 -20.102 -14.204 -5.314 1086 1HB ASP 114 2HB ASP 114 -18.506 -12.762 -6.657 1087 2HB ASP 114 1HB ASP 114 -17.915 -14.255 -7.349 1088 QB ASP 114 QB ASP 114 -18.211 -13.508 -7.003 1089 H MET 115 H MET 115 -17.130 -15.822 -6.284 1090 HA MET 115 HA MET 115 -18.660 -18.337 -6.358 1091 1HB MET 115 2HB MET 115 -16.161 -17.628 -7.873 1092 2HB MET 115 1HB MET 115 -16.902 -19.210 -7.853 1093 1HG MET 115 2HG MET 115 -18.935 -18.277 -8.846 1094 2HG MET 115 1HG MET 115 -18.179 -16.688 -8.878 1095 1HE MET 115 1HE MET 115 -18.136 -20.339 -10.282 1096 2HE MET 115 3HE MET 115 -16.757 -20.294 -11.376 1097 3HE MET 115 2HE MET 115 -16.500 -20.197 -9.639 1098 QB MET 115 QB MET 115 -16.532 -18.419 -7.863 1099 QG MET 115 QG MET 115 -18.557 -17.482 -8.862 1100 ME MET 115 QE MET 115 -17.131 -20.277 -10.432 1101 H ARG 116 H ARG 116 -15.463 -16.985 -5.599 1102 HA ARG 116 HA ARG 116 -13.858 -17.563 -4.151 1103 1HB ARG 116 2HB ARG 116 -16.029 -19.238 -2.886 1104 2HB ARG 116 1HB ARG 116 -14.412 -19.034 -2.214 1105 1HG ARG 116 2HG ARG 116 -16.515 -16.897 -2.536 1106 2HG ARG 116 1HG ARG 116 -15.999 -17.651 -1.029 1107 1HD ARG 116 2HD ARG 116 -13.641 -16.796 -1.714 1108 2HD ARG 116 1HD ARG 116 -14.560 -15.732 -2.793 1109 HE ARG 116 HE ARG 116 -15.458 -15.694 -0.075 1110 1HH1 ARG 116 1HH1 ARG 116 -13.413 -14.147 -2.498 1111 2HH1 ARG 116 2HH1 ARG 116 -12.957 -12.838 -1.521 1112 1HH2 ARG 116 1HH2 ARG 116 -14.882 -13.834 1.293 1113 2HH2 ARG 116 2HH2 ARG 116 -13.855 -12.636 0.676 1114 QB ARG 116 QB ARG 116 -15.220 -19.136 -2.550 1115 QG ARG 116 QG ARG 116 -16.257 -17.274 -1.783 1116 QD ARG 116 QD ARG 116 -14.100 -16.264 -2.253 1117 QH1 ARG 116 QH1 ARG 116 -13.185 -13.492 -2.009 1118 QH2 ARG 116 QH2 ARG 116 -14.369 -13.235 0.984 1119 H SER 117 H SER 117 -14.467 -18.981 -6.659 1120 HA SER 117 HA SER 117 -13.729 -21.706 -6.336 1121 1HB SER 117 2HB SER 117 -13.453 -21.415 -8.894 1122 2HB SER 117 1HB SER 117 -15.066 -21.218 -8.199 1123 HG SER 117 HG SER 117 -13.567 -19.432 -9.532 1124 QB SER 117 QB SER 117 -14.260 -21.316 -8.547 1125 H LEU 118 H LEU 118 -12.141 -19.033 -5.902 1126 HA LEU 118 HA LEU 118 -9.548 -19.193 -6.915 1127 1HB LEU 118 2HB LEU 118 -10.396 -18.372 -4.148 1128 2HB LEU 118 1HB LEU 118 -8.938 -17.889 -4.983 1129 HG LEU 118 HG LEU 118 -11.709 -17.163 -5.890 1130 1HD1 LEU 118 3HD1 LEU 118 -11.227 -16.217 -3.701 1131 2HD1 LEU 118 2HD1 LEU 118 -9.703 -15.567 -4.304 1132 3HD1 LEU 118 1HD1 LEU 118 -11.236 -14.967 -4.947 1133 1HD2 LEU 118 2HD2 LEU 118 -8.973 -16.159 -6.669 1134 2HD2 LEU 118 1HD2 LEU 118 -10.038 -17.147 -7.668 1135 3HD2 LEU 118 3HD2 LEU 118 -10.499 -15.498 -7.246 1136 MD1 LEU 118 QD1 LEU 118 -10.722 -15.584 -4.318 1137 MD2 LEU 118 QD2 LEU 118 -9.837 -16.268 -7.195 1138 QB LEU 118 QB LEU 118 -9.667 -18.131 -4.565 1139 QD LEU 118 QQD LEU 118 -10.279 -15.926 -5.756 1140 H GLY 119 H GLY 119 -11.188 -20.957 -4.390 1141 1HA GLY 119 1HA GLY 119 -8.908 -21.959 -3.062 1142 2HA GLY 119 2HA GLY 119 -9.420 -23.093 -4.304 1143 QA GLY 119 QA GLY 119 -9.164 -22.526 -3.683 1144 H LEU 120 H LEU 120 -11.933 -21.229 -2.813 1145 HA LEU 120 HA LEU 120 -12.383 -23.204 -0.756 1146 1HB LEU 120 2HB LEU 120 -13.886 -20.748 -1.588 1147 2HB LEU 120 1HB LEU 120 -14.497 -21.856 -0.386 1148 HG LEU 120 HG LEU 120 -12.493 -21.310 1.035 1149 1HD1 LEU 120 1HD1 LEU 120 -10.956 -20.604 -0.705 1150 2HD1 LEU 120 3HD1 LEU 120 -11.966 -19.194 -1.042 1151 3HD1 LEU 120 2HD1 LEU 120 -11.150 -19.353 0.518 1152 1HD2 LEU 120 1HD2 LEU 120 -14.622 -20.186 1.393 1153 2HD2 LEU 120 3HD2 LEU 120 -13.269 -19.101 1.716 1154 3HD2 LEU 120 2HD2 LEU 120 -14.178 -18.951 0.212 1155 MD1 LEU 120 QD1 LEU 120 -11.358 -19.717 -0.410 1156 MD2 LEU 120 QD2 LEU 120 -14.023 -19.413 1.107 1157 QB LEU 120 QB LEU 120 -14.192 -21.302 -0.987 1158 QD LEU 120 QQD LEU 120 -12.691 -19.565 0.348 1159 H ALA 121 H ALA 121 -14.699 -21.817 -3.037 1160 HA ALA 121 HA ALA 121 -15.880 -24.381 -3.247 1161 1HB ALA 121 1HB ALA 121 -17.622 -23.263 -4.612 1162 2HB ALA 121 2HB ALA 121 -16.690 -21.762 -4.524 1163 3HB ALA 121 3HB ALA 121 -17.372 -22.461 -3.059 1164 MB ALA 121 QB ALA 121 -17.228 -22.495 -4.065 1165 H GLU 122 H GLU 122 -14.079 -25.258 -4.176 1166 HA GLU 122 HA GLU 122 -13.824 -24.973 -7.076 1167 1HB GLU 122 2HB GLU 122 -12.039 -23.654 -5.736 1168 2HB GLU 122 1HB GLU 122 -11.466 -25.206 -5.171 1169 1HG GLU 122 2HG GLU 122 -11.553 -24.385 -8.069 1170 2HG GLU 122 1HG GLU 122 -10.159 -24.171 -7.026 1171 QB GLU 122 QB GLU 122 -11.752 -24.430 -5.454 1172 QG GLU 122 QG GLU 122 -10.856 -24.278 -7.548 1173 H SER 123 H SER 123 -12.669 -26.600 -4.157 1174 HA SER 123 HA SER 123 -13.019 -28.576 -3.274 1175 1HB SER 123 2HB SER 123 -14.840 -29.180 -5.599 1176 2HB SER 123 1HB SER 123 -14.757 -30.050 -4.065 1177 HG SER 123 HG SER 123 -15.905 -28.532 -3.144 1178 QB SER 123 QB SER 123 -14.799 -29.615 -4.832 1179 H ARG 124 H ARG 124 -11.871 -30.329 -3.127 1180 HA ARG 124 HA ARG 124 -10.834 -31.534 -5.517 1181 1HB ARG 124 2HB ARG 124 -8.645 -31.969 -4.428 1182 2HB ARG 124 1HB ARG 124 -8.920 -30.257 -4.647 1183 1HG ARG 124 2HG ARG 124 -9.530 -31.624 -2.081 1184 2HG ARG 124 1HG ARG 124 -7.878 -31.105 -2.444 1185 1HD ARG 124 2HD ARG 124 -8.649 -28.805 -2.681 1186 2HD ARG 124 1HD ARG 124 -10.319 -29.313 -2.408 1187 HE ARG 124 HE ARG 124 -9.323 -30.122 -0.173 1188 1HH1 ARG 124 1HH1 ARG 124 -8.277 -27.138 -1.810 1189 2HH1 ARG 124 2HH1 ARG 124 -8.034 -26.293 -0.351 1190 1HH2 ARG 124 1HH2 ARG 124 -8.991 -28.943 1.769 1191 2HH2 ARG 124 2HH2 ARG 124 -8.427 -27.343 1.713 1192 QB ARG 124 QB ARG 124 -8.783 -31.113 -4.537 1193 QG ARG 124 QG ARG 124 -8.704 -31.365 -2.262 1194 QD ARG 124 QD ARG 124 -9.484 -29.059 -2.545 1195 QH1 ARG 124 QH1 ARG 124 -8.156 -26.716 -1.081 1196 QH2 ARG 124 QH2 ARG 124 -8.709 -28.143 1.741 1197 H GLN 125 H GLN 125 -11.402 -33.415 -5.577 1198 HA GLN 125 HA GLN 125 -12.250 -34.877 -3.156 1199 1HB GLN 125 2HB GLN 125 -14.071 -34.107 -4.679 1200 2HB GLN 125 1HB GLN 125 -13.349 -35.059 -5.961 1201 1HG GLN 125 2HG GLN 125 -13.723 -37.084 -4.591 1202 2HG GLN 125 1HG GLN 125 -14.575 -36.075 -3.419 1203 1HE2 GLN 125 1HE2 GLN 125 -16.597 -35.157 -4.014 1204 2HE2 GLN 125 2HE2 GLN 125 -17.481 -35.779 -5.346 1205 QB GLN 125 QB GLN 125 -13.710 -34.583 -5.320 1206 QG GLN 125 QG GLN 125 -14.149 -36.580 -4.005 1207 QE GLN 125 QE2 GLN 125 -17.039 -35.468 -4.680 No H/Q in entry = 1207 Start of MODEL 6 1 H1 LEU 5 1HT LEU 5 -7.251 28.476 -26.574 2 H2 LEU 5 3HT LEU 5 -8.485 27.322 -26.643 3 H3 LEU 5 2HT LEU 5 -8.299 28.294 -25.269 4 HA LEU 5 HA LEU 5 -7.481 26.169 -24.792 5 1HB LEU 5 2HB LEU 5 -6.981 25.509 -27.099 6 2HB LEU 5 1HB LEU 5 -5.670 26.674 -27.144 7 HG LEU 5 HG LEU 5 -4.420 25.362 -25.506 8 1HD1 LEU 5 2HD1 LEU 5 -6.742 23.437 -25.624 9 2HD1 LEU 5 1HD1 LEU 5 -5.198 23.151 -24.821 10 3HD1 LEU 5 3HD1 LEU 5 -6.270 24.422 -24.240 11 1HD2 LEU 5 3HD2 LEU 5 -4.128 24.887 -27.871 12 2HD2 LEU 5 2HD2 LEU 5 -3.957 23.421 -26.904 13 3HD2 LEU 5 1HD2 LEU 5 -5.441 23.713 -27.811 14 MD1 LEU 5 QD1 LEU 5 -6.070 23.670 -24.895 15 MD2 LEU 5 QD2 LEU 5 -4.509 24.007 -27.529 16 QB LEU 5 QB LEU 5 -6.326 26.091 -27.122 17 QD LEU 5 QQD LEU 5 -5.289 23.838 -26.212 18 H GLU 6 H GLU 6 -6.083 26.144 -23.215 19 HA GLU 6 HA GLU 6 -4.460 28.511 -22.762 20 1HB GLU 6 2HB GLU 6 -6.271 28.055 -21.104 21 2HB GLU 6 1HB GLU 6 -5.538 26.467 -20.904 22 1HG GLU 6 2HG GLU 6 -5.157 28.090 -19.119 23 2HG GLU 6 1HG GLU 6 -3.663 27.413 -19.789 24 QB GLU 6 QB GLU 6 -5.904 27.261 -21.004 25 QG GLU 6 QG GLU 6 -4.410 27.752 -19.454 26 H ALA 7 H ALA 7 -2.473 28.138 -21.722 27 HA ALA 7 HA ALA 7 -0.801 26.248 -22.954 28 1HB ALA 7 1HB ALA 7 -0.387 27.676 -20.329 29 2HB ALA 7 3HB ALA 7 0.856 26.857 -21.273 30 3HB ALA 7 2HB ALA 7 0.051 28.290 -21.923 31 MB ALA 7 QB ALA 7 0.173 27.607 -21.175 32 H ASP 8 H ASP 8 -0.242 24.217 -22.438 33 HA ASP 8 HA ASP 8 -1.924 22.816 -20.602 34 1HB ASP 8 2HB ASP 8 -1.197 21.928 -22.851 35 2HB ASP 8 1HB ASP 8 0.427 21.787 -22.193 36 QB ASP 8 QB ASP 8 -0.385 21.857 -22.522 37 H VAL 9 H VAL 9 -1.333 22.086 -18.614 38 HA VAL 9 HA VAL 9 0.717 23.334 -17.418 39 HB VAL 9 HB VAL 9 0.229 22.002 -15.383 40 1HG1 VAL 9 2HG1 VAL 9 -1.010 24.038 -15.876 41 2HG1 VAL 9 1HG1 VAL 9 -2.164 23.114 -16.840 42 3HG1 VAL 9 3HG1 VAL 9 -2.051 22.849 -15.102 43 1HG2 VAL 9 3HG2 VAL 9 -1.701 20.662 -17.230 44 2HG2 VAL 9 2HG2 VAL 9 -0.289 19.931 -16.470 45 3HG2 VAL 9 1HG2 VAL 9 -1.669 20.437 -15.471 46 MG1 VAL 9 QG1 VAL 9 -1.742 23.334 -15.939 47 MG2 VAL 9 QG2 VAL 9 -1.220 20.343 -16.390 48 QG VAL 9 QQG VAL 9 -1.481 21.838 -16.165 49 H THR 10 H THR 10 0.746 20.496 -19.238 50 HA THR 10 HA THR 10 2.100 18.769 -19.630 51 HB THR 10 HB THR 10 4.405 19.148 -19.686 52 HG1 THR 10 1HG THR 10 3.884 21.330 -17.922 53 1HG2 THR 10 2HG2 THR 10 2.952 21.700 -20.346 54 2HG2 THR 10 1HG2 THR 10 4.561 21.290 -20.939 55 3HG2 THR 10 3HG2 THR 10 3.171 20.299 -21.389 56 MG THR 10 QG2 THR 10 3.562 21.096 -20.891 57 H MET 11 H MET 11 4.450 17.843 -18.186 58 HA MET 11 HA MET 11 3.137 17.281 -15.700 59 1HB MET 11 2HB MET 11 5.106 15.679 -17.284 60 2HB MET 11 1HB MET 11 4.870 15.417 -15.565 61 1HG MET 11 2HG MET 11 2.450 15.045 -16.019 62 2HG MET 11 1HG MET 11 2.800 15.191 -17.736 63 1HE MET 11 1HE MET 11 1.308 12.773 -16.292 64 2HE MET 11 3HE MET 11 1.550 12.852 -18.037 65 3HE MET 11 2HE MET 11 1.992 11.392 -17.149 66 QB MET 11 QB MET 11 4.988 15.548 -16.425 67 QG MET 11 QG MET 11 2.625 15.118 -16.877 68 ME MET 11 QE MET 11 1.616 12.339 -17.159 69 H THR 12 H THR 12 3.664 19.172 -14.870 70 HA THR 12 HA THR 12 6.452 19.524 -14.078 71 HB THR 12 HB THR 12 5.609 21.618 -13.304 72 HG1 THR 12 1HG THR 12 3.464 21.740 -15.101 73 1HG2 THR 12 3HG2 THR 12 5.427 21.075 -16.268 74 2HG2 THR 12 2HG2 THR 12 5.576 22.694 -15.585 75 3HG2 THR 12 1HG2 THR 12 6.870 21.517 -15.357 76 MG THR 12 QG2 THR 12 5.958 21.762 -15.737 77 H GLY 13 H GLY 13 3.223 19.964 -12.774 78 1HA GLY 13 1HA GLY 13 3.638 18.152 -10.605 79 2HA GLY 13 2HA GLY 13 2.277 19.255 -10.809 80 QA GLY 13 QA GLY 13 2.957 18.703 -10.707 81 H SER 14 H SER 14 4.930 18.560 -9.000 82 HA SER 14 HA SER 14 5.886 21.108 -8.403 83 1HB SER 14 2HB SER 14 3.636 21.446 -7.432 84 2HB SER 14 1HB SER 14 3.833 20.006 -6.442 85 HG SER 14 HG SER 14 5.029 21.060 -5.104 86 QB SER 14 QB SER 14 3.734 20.726 -6.937 87 H ASP 15 H ASP 15 5.260 18.836 -5.737 88 HA ASP 15 HA ASP 15 7.901 17.909 -5.856 89 1HB ASP 15 2HB ASP 15 7.717 18.314 -3.369 90 2HB ASP 15 1HB ASP 15 8.231 19.682 -4.344 91 QB ASP 15 QB ASP 15 7.974 18.998 -3.857 92 H LEU 16 H LEU 16 6.396 16.281 -6.692 93 HA LEU 16 HA LEU 16 5.416 14.681 -4.495 94 1HB LEU 16 2HB LEU 16 4.562 14.651 -7.355 95 2HB LEU 16 1HB LEU 16 3.902 13.647 -6.071 96 HG LEU 16 HG LEU 16 2.282 15.146 -6.477 97 1HD1 LEU 16 2HD1 LEU 16 3.800 16.442 -4.279 98 2HD1 LEU 16 1HD1 LEU 16 2.104 16.755 -4.670 99 3HD1 LEU 16 3HD1 LEU 16 2.611 15.149 -4.153 100 1HD2 LEU 16 1HD2 LEU 16 4.330 17.284 -6.879 101 2HD2 LEU 16 3HD2 LEU 16 3.315 16.458 -8.069 102 3HD2 LEU 16 2HD2 LEU 16 2.573 17.550 -6.892 103 MD1 LEU 16 QD1 LEU 16 2.839 16.115 -4.367 104 MD2 LEU 16 QD2 LEU 16 3.406 17.098 -7.280 105 QB LEU 16 QB LEU 16 4.232 14.149 -6.713 106 QD LEU 16 QQD LEU 16 3.122 16.606 -5.824 107 H VAL 17 H VAL 17 5.527 12.535 -4.820 108 HA VAL 17 HA VAL 17 7.640 11.665 -6.342 109 HB VAL 17 HB VAL 17 7.746 11.925 -3.354 110 1HG1 VAL 17 2HG1 VAL 17 9.028 9.912 -5.001 111 2HG1 VAL 17 1HG1 VAL 17 9.673 10.350 -3.366 112 3HG1 VAL 17 3HG1 VAL 17 8.008 9.706 -3.533 113 1HG2 VAL 17 2HG2 VAL 17 8.990 13.554 -4.781 114 2HG2 VAL 17 1HG2 VAL 17 10.037 12.629 -3.692 115 3HG2 VAL 17 3HG2 VAL 17 9.950 12.208 -5.394 116 MG1 VAL 17 QG1 VAL 17 8.903 9.989 -3.967 117 MG2 VAL 17 QG2 VAL 17 9.659 12.797 -4.622 118 QG VAL 17 QQG VAL 17 9.281 11.393 -4.295 119 H SER 18 H SER 18 7.499 9.322 -6.307 120 HA SER 18 HA SER 18 5.249 8.125 -4.882 121 1HB SER 18 2HB SER 18 6.063 7.573 -7.734 122 2HB SER 18 1HB SER 18 5.084 6.455 -6.786 123 HG SER 18 HG SER 18 3.872 8.542 -6.392 124 QB SER 18 QB SER 18 5.573 7.014 -7.260 125 H CYS 19 H CYS 19 6.203 6.989 -3.368 126 HA CYS 19 HA CYS 19 8.483 5.358 -4.042 127 1HB CYS 19 2HB CYS 19 6.862 5.591 -1.485 128 2HB CYS 19 1HB CYS 19 8.338 4.646 -1.664 129 HG CYS 19 HG CYS 19 10.066 6.630 -1.395 130 QB CYS 19 QB CYS 19 7.600 5.118 -1.574 131 H CYS 20 H CYS 20 8.113 3.511 -5.033 132 HA CYS 20 HA CYS 20 5.393 2.451 -5.015 133 1HB CYS 20 2HB CYS 20 6.408 3.272 -7.178 134 2HB CYS 20 1HB CYS 20 7.669 2.068 -6.981 135 HG CYS 20 HG CYS 20 4.768 1.794 -8.390 136 QB CYS 20 QB CYS 20 7.039 2.670 -7.080 137 H TYR 21 H TYR 21 5.303 0.242 -4.180 138 HA TYR 21 HA TYR 21 7.902 -0.951 -3.796 139 1HB TYR 21 2HB TYR 21 7.777 -1.163 -1.487 140 2HB TYR 21 1HB TYR 21 7.378 0.498 -1.869 141 HD1 TYR 21 1HD TYR 21 5.758 -2.731 -0.829 142 HD2 TYR 21 2HD TYR 21 5.728 1.526 -0.865 143 HE1 TYR 21 1HE TYR 21 3.948 -2.717 0.826 144 HE2 TYR 21 2HE TYR 21 3.961 1.509 0.774 145 HH TYR 21 HH TYR 21 2.167 -0.049 1.569 146 QB TYR 21 QB TYR 21 7.578 -0.333 -1.678 147 QD TYR 21 QD TYR 21 5.743 -0.603 -0.847 148 QE TYR 21 QE TYR 21 3.954 -0.604 0.800 149 QR TYR 21 QR TYR 21 4.849 -0.603 -0.023 150 H ARG 22 H ARG 22 7.701 -3.121 -3.010 151 HA ARG 22 HA ARG 22 5.011 -4.213 -3.325 152 1HB ARG 22 2HB ARG 22 5.571 -5.891 -4.807 153 2HB ARG 22 1HB ARG 22 6.816 -4.723 -5.218 154 1HG ARG 22 2HG ARG 22 7.288 -6.933 -3.260 155 2HG ARG 22 1HG ARG 22 7.551 -7.124 -4.989 156 1HD ARG 22 2HD ARG 22 9.248 -5.426 -4.958 157 2HD ARG 22 1HD ARG 22 8.868 -5.022 -3.283 158 HE ARG 22 HE ARG 22 9.934 -6.956 -2.566 159 1HH1 ARG 22 1HH1 ARG 22 9.945 -6.846 -6.102 160 2HH1 ARG 22 2HH1 ARG 22 11.103 -8.082 -6.253 161 1HH2 ARG 22 1HH2 ARG 22 11.494 -8.534 -2.750 162 2HH2 ARG 22 2HH2 ARG 22 12.038 -9.103 -4.273 163 QB ARG 22 QB ARG 22 6.194 -5.307 -5.012 164 QG ARG 22 QG ARG 22 7.419 -7.029 -4.125 165 QD ARG 22 QD ARG 22 9.058 -5.224 -4.121 166 QH1 ARG 22 QH1 ARG 22 10.524 -7.464 -6.178 167 QH2 ARG 22 QH2 ARG 22 11.766 -8.819 -3.512 168 H SER 23 H SER 23 4.714 -6.189 -2.187 169 HA SER 23 HA SER 23 6.756 -6.749 -0.292 170 1HB SER 23 2HB SER 23 3.932 -6.117 0.579 171 2HB SER 23 1HB SER 23 5.198 -6.728 1.638 172 HG SER 23 HG SER 23 5.962 -4.585 0.194 173 QB SER 23 QB SER 23 4.565 -6.423 1.109 174 H LEU 24 H LEU 24 6.033 -8.783 0.949 175 HA LEU 24 HA LEU 24 4.399 -10.421 -0.877 176 1HB LEU 24 2HB LEU 24 6.759 -11.209 0.810 177 2HB LEU 24 1HB LEU 24 5.647 -12.406 0.190 178 HG LEU 24 HG LEU 24 7.599 -12.366 -1.197 179 1HD1 LEU 24 1HD1 LEU 24 5.526 -12.776 -2.340 180 2HD1 LEU 24 3HD1 LEU 24 5.330 -11.052 -2.659 181 3HD1 LEU 24 2HD1 LEU 24 6.667 -11.936 -3.387 182 1HD2 LEU 24 1HD2 LEU 24 8.421 -10.110 -0.728 183 2HD2 LEU 24 3HD2 LEU 24 8.320 -10.402 -2.467 184 3HD2 LEU 24 2HD2 LEU 24 7.086 -9.434 -1.666 185 MD1 LEU 24 QD1 LEU 24 5.841 -11.921 -2.795 186 MD2 LEU 24 QD2 LEU 24 7.942 -9.982 -1.620 187 QB LEU 24 QB LEU 24 6.203 -11.808 0.500 188 QD LEU 24 QQD LEU 24 6.892 -10.952 -2.208 189 H ALA 25 H ALA 25 3.195 -8.903 1.025 190 HA ALA 25 HA ALA 25 2.132 -8.883 3.178 191 1HB ALA 25 3HB ALA 25 0.530 -8.979 1.342 192 2HB ALA 25 2HB ALA 25 0.488 -10.743 1.467 193 3HB ALA 25 1HB ALA 25 -0.087 -9.732 2.805 194 MB ALA 25 QB ALA 25 0.310 -9.818 1.871 195 H ALA 26 H ALA 26 2.651 -9.661 5.165 196 HA ALA 26 HA ALA 26 4.009 -11.971 5.353 197 1HB ALA 26 2HB ALA 26 4.303 -10.061 6.687 198 2HB ALA 26 1HB ALA 26 2.686 -10.243 7.383 199 3HB ALA 26 3HB ALA 26 3.927 -11.463 7.710 200 MB ALA 26 QB ALA 26 3.639 -10.589 7.260 201 HA PRO 27 HA PRO 27 0.681 -14.964 5.540 202 1HB PRO 27 2HB PRO 27 2.191 -16.976 6.552 203 2HB PRO 27 1HB PRO 27 2.306 -16.436 4.864 204 1HG PRO 27 2HG PRO 27 3.858 -15.330 7.194 205 2HG PRO 27 1HG PRO 27 4.584 -16.196 5.773 206 1HD PRO 27 2HD PRO 27 4.560 -13.684 5.877 207 2HD PRO 27 1HD PRO 27 3.782 -14.376 4.425 208 QB PRO 27 QB PRO 27 2.248 -16.706 5.708 209 QG PRO 27 QG PRO 27 4.221 -15.763 6.484 210 QD PRO 27 QD PRO 27 4.171 -14.030 5.151 211 H ASP 28 H ASP 28 2.096 -13.523 8.054 212 HA ASP 28 HA ASP 28 0.747 -15.181 10.081 213 1HB ASP 28 2HB ASP 28 2.195 -14.225 11.796 214 2HB ASP 28 1HB ASP 28 3.176 -14.838 10.480 215 QB ASP 28 QB ASP 28 2.686 -14.531 11.138 216 H LEU 29 H LEU 29 -0.186 -13.074 8.258 217 HA LEU 29 HA LEU 29 -0.908 -10.840 9.776 218 1HB LEU 29 2HB LEU 29 -1.254 -11.721 7.054 219 2HB LEU 29 1HB LEU 29 -2.520 -10.661 7.658 220 HG LEU 29 HG LEU 29 0.415 -10.049 7.774 221 1HD1 LEU 29 2HD1 LEU 29 -1.747 -9.150 5.868 222 2HD1 LEU 29 1HD1 LEU 29 -0.123 -8.437 5.987 223 3HD1 LEU 29 3HD1 LEU 29 -0.296 -10.112 5.482 224 1HD2 LEU 29 1HD2 LEU 29 -2.093 -8.516 8.416 225 2HD2 LEU 29 3HD2 LEU 29 -0.778 -8.911 9.523 226 3HD2 LEU 29 2HD2 LEU 29 -0.535 -7.758 8.221 227 MD1 LEU 29 QD1 LEU 29 -0.722 -9.233 5.779 228 MD2 LEU 29 QD2 LEU 29 -1.135 -8.395 8.720 229 QB LEU 29 QB LEU 29 -1.887 -11.191 7.356 230 QD LEU 29 QQD LEU 29 -0.929 -8.814 7.249 231 H THR 30 H THR 30 -2.824 -9.996 10.200 232 HA THR 30 HA THR 30 -5.128 -11.736 10.585 233 HB THR 30 HB THR 30 -5.463 -9.671 12.075 234 HG1 THR 30 1HG THR 30 -3.452 -9.235 13.206 235 1HG2 THR 30 1HG2 THR 30 -4.201 -12.284 12.729 236 2HG2 THR 30 3HG2 THR 30 -4.848 -11.180 13.969 237 3HG2 THR 30 2HG2 THR 30 -5.921 -11.800 12.697 238 MG THR 30 QG2 THR 30 -4.990 -11.755 13.132 239 H LEU 31 H LEU 31 -6.690 -11.256 9.333 240 HA LEU 31 HA LEU 31 -7.115 -9.226 7.480 241 1HB LEU 31 2HB LEU 31 -8.475 -11.282 7.880 242 2HB LEU 31 1HB LEU 31 -9.004 -10.403 9.325 243 HG LEU 31 HG LEU 31 -10.069 -8.706 7.945 244 1HD1 LEU 31 2HD1 LEU 31 -8.695 -8.889 5.963 245 2HD1 LEU 31 1HD1 LEU 31 -9.409 -10.463 5.584 246 3HD1 LEU 31 3HD1 LEU 31 -10.413 -9.003 5.602 247 1HD2 LEU 31 1HD2 LEU 31 -11.373 -10.565 8.779 248 2HD2 LEU 31 3HD2 LEU 31 -11.949 -10.041 7.201 249 3HD2 LEU 31 2HD2 LEU 31 -10.976 -11.505 7.340 250 MD1 LEU 31 QD1 LEU 31 -9.505 -9.451 5.716 251 MD2 LEU 31 QD2 LEU 31 -11.433 -10.704 7.774 252 QB LEU 31 QB LEU 31 -8.740 -10.843 8.603 253 QD LEU 31 QQD LEU 31 -10.469 -10.078 6.745 254 H ARG 32 H ARG 32 -7.902 -9.141 10.935 255 HA ARG 32 HA ARG 32 -9.409 -6.775 10.562 256 1HB ARG 32 2HB ARG 32 -9.635 -8.268 12.563 257 2HB ARG 32 1HB ARG 32 -8.126 -7.583 13.165 258 1HG ARG 32 2HG ARG 32 -10.004 -6.424 14.205 259 2HG ARG 32 1HG ARG 32 -9.117 -5.368 13.072 260 1HD ARG 32 2HD ARG 32 -11.614 -5.191 12.929 261 2HD ARG 32 1HD ARG 32 -10.782 -5.538 11.419 262 HE ARG 32 HE ARG 32 -11.794 -7.821 12.886 263 1HH1 ARG 32 1HH1 ARG 32 -12.436 -5.460 10.298 264 2HH1 ARG 32 2HH1 ARG 32 -13.517 -6.477 9.460 265 1HH2 ARG 32 1HH2 ARG 32 -13.342 -9.205 11.705 266 2HH2 ARG 32 2HH2 ARG 32 -14.029 -8.604 10.277 267 QB ARG 32 QB ARG 32 -8.881 -7.925 12.864 268 QG ARG 32 QG ARG 32 -9.560 -5.896 13.638 269 QD ARG 32 QD ARG 32 -11.198 -5.365 12.174 270 QH1 ARG 32 QH1 ARG 32 -12.977 -5.969 9.879 271 QH2 ARG 32 QH2 ARG 32 -13.685 -8.904 10.991 272 H ASP 33 H ASP 33 -6.043 -7.339 10.975 273 HA ASP 33 HA ASP 33 -5.504 -4.567 11.568 274 1HB ASP 33 2HB ASP 33 -4.141 -6.448 12.562 275 2HB ASP 33 1HB ASP 33 -3.544 -6.792 10.943 276 QB ASP 33 QB ASP 33 -3.842 -6.620 11.752 277 H LEU 34 H LEU 34 -5.865 -6.596 8.736 278 HA LEU 34 HA LEU 34 -4.497 -4.777 6.953 279 1HB LEU 34 2HB LEU 34 -6.691 -6.785 6.366 280 2HB LEU 34 1HB LEU 34 -6.095 -5.706 5.141 281 HG LEU 34 HG LEU 34 -5.211 -7.956 4.895 282 1HD1 LEU 34 3HD1 LEU 34 -3.817 -6.068 4.178 283 2HD1 LEU 34 2HD1 LEU 34 -3.052 -6.052 5.766 284 3HD1 LEU 34 1HD1 LEU 34 -2.860 -7.449 4.715 285 1HD2 LEU 34 1HD2 LEU 34 -5.370 -8.412 7.247 286 2HD2 LEU 34 3HD2 LEU 34 -3.845 -8.977 6.527 287 3HD2 LEU 34 2HD2 LEU 34 -3.881 -7.467 7.491 288 MD1 LEU 34 QD1 LEU 34 -3.243 -6.523 4.886 289 MD2 LEU 34 QD2 LEU 34 -4.365 -8.285 7.088 290 QB LEU 34 QB LEU 34 -6.393 -6.246 5.754 291 QD LEU 34 QQD LEU 34 -3.804 -7.404 5.987 292 H LEU 35 H LEU 35 -7.641 -5.267 8.084 293 HA LEU 35 HA LEU 35 -8.852 -3.165 6.608 294 1HB LEU 35 2HB LEU 35 -9.775 -4.846 8.933 295 2HB LEU 35 1HB LEU 35 -10.756 -3.532 8.316 296 HG LEU 35 HG LEU 35 -11.356 -5.880 7.461 297 1HD1 LEU 35 2HD1 LEU 35 -10.632 -3.767 5.429 298 2HD1 LEU 35 1HD1 LEU 35 -11.755 -5.104 5.176 299 3HD1 LEU 35 3HD1 LEU 35 -12.134 -3.846 6.349 300 1HD2 LEU 35 2HD2 LEU 35 -8.949 -6.559 7.089 301 2HD2 LEU 35 1HD2 LEU 35 -10.001 -6.830 5.666 302 3HD2 LEU 35 3HD2 LEU 35 -8.904 -5.452 5.774 303 MD1 LEU 35 QD1 LEU 35 -11.507 -4.239 5.651 304 MD2 LEU 35 QD2 LEU 35 -9.284 -6.280 6.176 305 QB LEU 35 QB LEU 35 -10.266 -4.189 8.624 306 QD LEU 35 QQD LEU 35 -10.396 -5.260 5.914 307 H ASP 36 H ASP 36 -7.474 -3.396 9.766 308 HA ASP 36 HA ASP 36 -7.956 -0.690 10.471 309 1HB ASP 36 2HB ASP 36 -5.824 -2.573 11.347 310 2HB ASP 36 1HB ASP 36 -5.622 -0.863 11.686 311 QB ASP 36 QB ASP 36 -5.723 -1.718 11.516 312 H ILE 37 H ILE 37 -5.409 -2.077 8.517 313 HA ILE 37 HA ILE 37 -3.743 0.072 8.102 314 HB ILE 37 HB ILE 37 -4.642 -2.029 6.118 315 1HG1 ILE 37 2HG1 ILE 37 -1.963 -1.770 7.405 316 2HG1 ILE 37 1HG1 ILE 37 -3.227 -2.712 8.159 317 1HG2 ILE 37 1HG2 ILE 37 -3.906 -0.157 4.795 318 2HG2 ILE 37 3HG2 ILE 37 -2.397 -0.066 5.709 319 3HG2 ILE 37 2HG2 ILE 37 -2.730 -1.472 4.699 320 1HD1 ILE 37 1HD1 ILE 37 -3.305 -3.959 5.867 321 2HD1 ILE 37 3HD1 ILE 37 -1.755 -3.182 5.595 322 3HD1 ILE 37 2HD1 ILE 37 -1.981 -4.286 6.955 323 MG ILE 37 QG2 ILE 37 -3.011 -0.565 5.068 324 MD ILE 37 QD1 ILE 37 -2.347 -3.809 6.139 325 QG ILE 37 QG1 ILE 37 -2.595 -2.241 7.782 326 H VAL 38 H VAL 38 -6.572 -0.839 6.178 327 HA VAL 38 HA VAL 38 -6.397 1.338 4.447 328 HB VAL 38 HB VAL 38 -7.649 -0.659 3.795 329 1HG1 VAL 38 2HG1 VAL 38 -8.588 -1.264 5.886 330 2HG1 VAL 38 1HG1 VAL 38 -9.706 0.094 5.810 331 3HG1 VAL 38 3HG1 VAL 38 -9.818 -1.213 4.621 332 1HG2 VAL 38 3HG2 VAL 38 -8.209 1.443 2.666 333 2HG2 VAL 38 2HG2 VAL 38 -9.591 0.365 2.765 334 3HG2 VAL 38 1HG2 VAL 38 -9.461 1.742 3.865 335 MG1 VAL 38 QG1 VAL 38 -9.370 -0.794 5.439 336 MG2 VAL 38 QG2 VAL 38 -9.087 1.183 3.099 337 QG VAL 38 QQG VAL 38 -9.229 0.194 4.269 338 H GLU 39 H GLU 39 -8.264 0.991 7.408 339 HA GLU 39 HA GLU 39 -9.645 3.418 7.145 340 1HB GLU 39 2HB GLU 39 -9.050 1.766 9.598 341 2HB GLU 39 1HB GLU 39 -10.139 3.147 9.583 342 1HG GLU 39 2HG GLU 39 -11.514 2.002 7.891 343 2HG GLU 39 1HG GLU 39 -10.452 0.605 8.006 344 QB GLU 39 QB GLU 39 -9.595 2.457 9.591 345 QG GLU 39 QG GLU 39 -10.983 1.303 7.949 346 H THR 40 H THR 40 -6.478 2.721 8.551 347 HA THR 40 HA THR 40 -6.305 5.436 9.538 348 HB THR 40 HB THR 40 -5.210 3.558 10.812 349 HG1 THR 40 1HG THR 40 -3.925 5.910 10.046 350 1HG2 THR 40 3HG2 THR 40 -3.247 3.550 8.517 351 2HG2 THR 40 2HG2 THR 40 -3.032 2.680 10.035 352 3HG2 THR 40 1HG2 THR 40 -4.343 2.238 8.941 353 MG THR 40 QG2 THR 40 -3.541 2.823 9.164 354 H SER 41 H SER 41 -5.348 3.683 6.705 355 HA SER 41 HA SER 41 -3.262 5.342 5.856 356 1HB SER 41 2HB SER 41 -3.718 3.019 5.058 357 2HB SER 41 1HB SER 41 -5.079 3.646 4.141 358 HG SER 41 HG SER 41 -3.431 5.080 3.112 359 QB SER 41 QB SER 41 -4.399 3.333 4.600 360 H GLN 42 H GLN 42 -6.630 5.219 4.639 361 HA GLN 42 HA GLN 42 -6.538 7.281 2.768 362 1HB GLN 42 2HB GLN 42 -8.804 6.552 4.585 363 2HB GLN 42 1HB GLN 42 -8.950 7.530 3.135 364 1HG GLN 42 2HG GLN 42 -8.653 5.791 1.731 365 2HG GLN 42 1HG GLN 42 -7.617 4.956 2.896 366 1HE2 GLN 42 1HE2 GLN 42 -9.524 5.168 5.101 367 2HE2 GLN 42 2HE2 GLN 42 -10.719 4.010 4.663 368 QB GLN 42 QB GLN 42 -8.877 7.041 3.860 369 QG GLN 42 QG GLN 42 -8.135 5.374 2.313 370 QE GLN 42 QE2 GLN 42 -10.122 4.589 4.882 371 H ALA 43 H ALA 43 -7.099 7.456 6.176 372 HA ALA 43 HA ALA 43 -7.926 10.106 6.345 373 1HB ALA 43 3HB ALA 43 -7.693 9.783 8.701 374 2HB ALA 43 1HB ALA 43 -6.545 8.442 8.435 375 3HB ALA 43 2HB ALA 43 -8.211 8.257 7.939 376 MB ALA 43 QB ALA 43 -7.483 8.827 8.358 377 H HIS 44 H HIS 44 -4.708 8.633 6.670 378 HA HIS 44 HA HIS 44 -3.416 11.185 7.081 379 1HB HIS 44 2HB HIS 44 -2.552 8.977 8.000 380 2HB HIS 44 1HB HIS 44 -2.231 8.588 6.308 381 HD1 HIS 44 1HD HIS 44 0.233 8.423 6.325 382 HD2 HIS 44 2HD HIS 44 -1.039 11.957 8.071 383 HE1 HIS 44 1HE HIS 44 2.303 9.784 6.670 384 HE2 HIS 44 2HE HIS 44 1.558 11.657 8.075 385 QB HIS 44 QB HIS 44 -2.392 8.782 7.154 386 H ASN 45 H ASN 45 -3.982 8.972 4.420 387 HA ASN 45 HA ASN 45 -2.319 10.201 2.533 388 1HB ASN 45 2HB ASN 45 -4.858 8.614 2.174 389 2HB ASN 45 1HB ASN 45 -4.054 9.348 0.799 390 1HD2 ASN 45 1HD2 ASN 45 -2.076 8.523 0.131 391 2HD2 ASN 45 2HD2 ASN 45 -1.526 6.956 0.631 392 QB ASN 45 QB ASN 45 -4.456 8.981 1.486 393 QD ASN 45 QD2 ASN 45 -1.801 7.740 0.381 394 H ALA 46 H ALA 46 -5.731 10.783 3.220 395 HA ALA 46 HA ALA 46 -6.107 12.862 1.371 396 1HB ALA 46 3HB ALA 46 -8.049 13.453 2.711 397 2HB ALA 46 1HB ALA 46 -7.417 12.482 4.039 398 3HB ALA 46 2HB ALA 46 -7.931 11.694 2.541 399 MB ALA 46 QB ALA 46 -7.799 12.543 3.097 400 H ARG 47 H ARG 47 -5.174 12.873 4.754 401 HA ARG 47 HA ARG 47 -5.045 15.624 5.171 402 1HB ARG 47 2HB ARG 47 -4.899 13.799 6.917 403 2HB ARG 47 1HB ARG 47 -3.238 13.584 6.331 404 1HG ARG 47 2HG ARG 47 -3.181 14.903 8.356 405 2HG ARG 47 1HG ARG 47 -2.674 15.864 6.968 406 1HD ARG 47 2HD ARG 47 -4.115 17.199 8.340 407 2HD ARG 47 1HD ARG 47 -4.970 16.813 6.855 408 HE ARG 47 HE ARG 47 -5.518 14.907 8.882 409 1HH1 ARG 47 1HH1 ARG 47 -6.382 18.162 7.811 410 2HH1 ARG 47 2HH1 ARG 47 -7.885 18.184 8.609 411 1HH2 ARG 47 1HH2 ARG 47 -7.582 14.931 9.984 412 2HH2 ARG 47 2HH2 ARG 47 -8.578 16.296 9.883 413 QB ARG 47 QB ARG 47 -4.069 13.691 6.624 414 QG ARG 47 QG ARG 47 -2.928 15.384 7.662 415 QD ARG 47 QD ARG 47 -4.542 17.006 7.598 416 QH1 ARG 47 QH1 ARG 47 -7.134 18.173 8.210 417 QH2 ARG 47 QH2 ARG 47 -8.080 15.613 9.933 418 H ALA 48 H ALA 48 -2.451 13.354 4.289 419 HA ALA 48 HA ALA 48 -0.735 15.564 4.101 420 1HB ALA 48 2HB ALA 48 0.107 13.481 4.956 421 2HB ALA 48 3HB ALA 48 1.018 14.012 3.536 422 3HB ALA 48 1HB ALA 48 -0.163 12.705 3.388 423 MB ALA 48 QB ALA 48 0.320 13.399 3.960 424 H GLN 49 H GLN 49 -3.019 14.451 2.016 425 HA GLN 49 HA GLN 49 -3.641 15.015 -0.076 426 1HB GLN 49 2HB GLN 49 -1.086 16.594 -0.029 427 2HB GLN 49 1HB GLN 49 -2.278 16.733 -1.345 428 1HG GLN 49 2HG GLN 49 -3.538 18.058 -0.044 429 2HG GLN 49 1HG GLN 49 -3.261 16.892 1.286 430 1HE2 GLN 49 1HE2 GLN 49 -1.897 17.349 2.859 431 2HE2 GLN 49 2HE2 GLN 49 -0.844 18.701 2.930 432 QB GLN 49 QB GLN 49 -1.682 16.664 -0.687 433 QG GLN 49 QG GLN 49 -3.400 17.475 0.621 434 QE GLN 49 QE2 GLN 49 -1.370 18.025 2.895 435 H LEU 50 H LEU 50 -1.994 12.875 0.677 436 HA LEU 50 HA LEU 50 -0.434 11.987 -1.577 437 1HB LEU 50 2HB LEU 50 -1.080 11.049 1.143 438 2HB LEU 50 1HB LEU 50 -0.610 9.840 -0.031 439 HG LEU 50 HG LEU 50 1.489 10.808 -0.326 440 1HD1 LEU 50 2HD1 LEU 50 0.630 13.059 1.465 441 2HD1 LEU 50 1HD1 LEU 50 2.270 12.803 0.868 442 3HD1 LEU 50 3HD1 LEU 50 0.965 13.165 -0.260 443 1HD2 LEU 50 2HD2 LEU 50 1.208 9.395 1.657 444 2HD2 LEU 50 1HD2 LEU 50 2.473 10.619 1.863 445 3HD2 LEU 50 3HD2 LEU 50 0.899 10.841 2.611 446 MD1 LEU 50 QD1 LEU 50 1.288 13.009 0.691 447 MD2 LEU 50 QD2 LEU 50 1.527 10.285 2.044 448 QB LEU 50 QB LEU 50 -0.845 10.444 0.556 449 QD LEU 50 QQD LEU 50 1.407 11.647 1.367 450 H THR 51 H THR 51 -1.163 10.824 -3.225 451 HA THR 51 HA THR 51 -3.808 9.599 -3.092 452 HB THR 51 HB THR 51 -3.825 10.040 -5.556 453 HG1 THR 51 1HG THR 51 -1.855 10.447 -6.336 454 1HG2 THR 51 1HG2 THR 51 -4.693 11.497 -3.815 455 2HG2 THR 51 3HG2 THR 51 -3.145 12.365 -3.817 456 3HG2 THR 51 2HG2 THR 51 -4.173 12.404 -5.273 457 MG THR 51 QG2 THR 51 -4.004 12.089 -4.302 458 H GLY 52 H GLY 52 -3.998 7.484 -4.257 459 1HA GLY 52 1HA GLY 52 -2.196 5.830 -2.992 460 2HA GLY 52 2HA GLY 52 -1.591 6.025 -4.628 461 QA GLY 52 QA GLY 52 -1.894 5.928 -3.810 462 H ALA 53 H ALA 53 -1.905 3.690 -4.231 463 HA ALA 53 HA ALA 53 -4.457 2.549 -4.132 464 1HB ALA 53 2HB ALA 53 -4.673 3.321 -6.471 465 2HB ALA 53 3HB ALA 53 -4.607 1.557 -6.384 466 3HB ALA 53 1HB ALA 53 -3.186 2.475 -6.885 467 MB ALA 53 QB ALA 53 -4.155 2.451 -6.580 468 H LEU 54 H LEU 54 -4.310 0.144 -4.318 469 HA LEU 54 HA LEU 54 -1.647 -0.867 -4.498 470 1HB LEU 54 2HB LEU 54 -1.432 -1.804 -2.346 471 2HB LEU 54 1HB LEU 54 -1.886 -0.128 -2.140 472 HG LEU 54 HG LEU 54 -4.280 -1.098 -1.724 473 1HD1 LEU 54 2HD1 LEU 54 -2.611 -3.545 -1.174 474 2HD1 LEU 54 1HD1 LEU 54 -4.298 -3.323 -0.707 475 3HD1 LEU 54 3HD1 LEU 54 -3.849 -3.373 -2.413 476 1HD2 LEU 54 3HD2 LEU 54 -2.889 0.023 -0.053 477 2HD2 LEU 54 2HD2 LEU 54 -3.790 -1.321 0.647 478 3HD2 LEU 54 1HD2 LEU 54 -2.073 -1.500 0.285 479 MD1 LEU 54 QD1 LEU 54 -3.586 -3.414 -1.431 480 MD2 LEU 54 QD2 LEU 54 -2.917 -0.933 0.293 481 QB LEU 54 QB LEU 54 -1.659 -0.966 -2.243 482 QD LEU 54 QQD LEU 54 -3.252 -2.173 -0.569 483 H PHE 55 H PHE 55 -1.533 -3.033 -4.744 484 HA PHE 55 HA PHE 55 -4.078 -4.358 -5.261 485 1HB PHE 55 2HB PHE 55 -1.594 -4.447 -6.994 486 2HB PHE 55 1HB PHE 55 -3.042 -5.417 -7.240 487 HD1 PHE 55 1HD PHE 55 -5.139 -4.349 -7.929 488 HD2 PHE 55 2HD PHE 55 -1.514 -2.147 -7.627 489 HE1 PHE 55 1HE PHE 55 -6.132 -2.538 -9.233 490 HE2 PHE 55 2HE PHE 55 -2.509 -0.320 -8.939 491 HZ PHE 55 HZ PHE 55 -4.824 -0.511 -9.734 492 QB PHE 55 QB PHE 55 -2.318 -4.932 -7.117 493 QD PHE 55 QD PHE 55 -3.327 -3.248 -7.778 494 QE PHE 55 QE PHE 55 -4.320 -1.429 -9.086 495 QR PHE 55 QR PHE 55 -4.023 -1.973 -8.693 496 H TYR 56 H TYR 56 -4.169 -5.778 -3.754 497 HA TYR 56 HA TYR 56 -1.818 -7.329 -2.997 498 1HB TYR 56 2HB TYR 56 -3.175 -6.348 -1.192 499 2HB TYR 56 1HB TYR 56 -4.637 -7.089 -1.748 500 HD1 TYR 56 1HD TYR 56 -3.635 -9.965 -2.098 501 HD2 TYR 56 2HD TYR 56 -2.894 -7.087 0.944 502 HE1 TYR 56 1HE TYR 56 -3.240 -11.783 -0.490 503 HE2 TYR 56 2HE TYR 56 -2.491 -8.902 2.562 504 HH TYR 56 HH TYR 56 -3.141 -11.346 2.831 505 QB TYR 56 QB TYR 56 -3.906 -6.719 -1.470 506 QD TYR 56 QD TYR 56 -3.265 -8.526 -0.577 507 QE TYR 56 QE TYR 56 -2.865 -10.342 1.036 508 QR TYR 56 QR TYR 56 -3.065 -9.434 0.229 509 H SER 57 H SER 57 -1.610 -9.232 -4.142 510 HA SER 57 HA SER 57 -4.057 -10.573 -4.966 511 1HB SER 57 2HB SER 57 -1.716 -10.003 -6.798 512 2HB SER 57 1HB SER 57 -3.137 -10.971 -7.215 513 HG SER 57 HG SER 57 -4.027 -8.773 -6.205 514 QB SER 57 QB SER 57 -2.426 -10.487 -7.006 515 H GLN 58 H GLN 58 -4.019 -12.454 -4.041 516 HA GLN 58 HA GLN 58 -3.452 -14.517 -3.328 517 1HB GLN 58 2HB GLN 58 -2.447 -14.819 -5.594 518 2HB GLN 58 1HB GLN 58 -0.956 -14.129 -4.978 519 1HG GLN 58 2HG GLN 58 -0.686 -16.037 -3.472 520 2HG GLN 58 1HG GLN 58 -2.209 -16.712 -4.050 521 1HE2 GLN 58 1HE2 GLN 58 0.210 -15.180 -6.142 522 2HE2 GLN 58 2HE2 GLN 58 0.636 -16.623 -6.964 523 QB GLN 58 QB GLN 58 -1.702 -14.474 -5.286 524 QG GLN 58 QG GLN 58 -1.448 -16.374 -3.761 525 QE GLN 58 QE2 GLN 58 0.423 -15.901 -6.553 526 H GLY 59 H GLY 59 -0.415 -12.803 -3.455 527 1HA GLY 59 1HA GLY 59 1.018 -13.731 -1.395 528 2HA GLY 59 2HA GLY 59 -0.190 -12.753 -0.563 529 QA GLY 59 QA GLY 59 0.414 -13.242 -0.979 530 H VAL 60 H VAL 60 1.229 -12.019 -3.743 531 HA VAL 60 HA VAL 60 3.049 -10.206 -2.634 532 HB VAL 60 HB VAL 60 3.552 -11.289 -4.758 533 1HG1 VAL 60 3HG1 VAL 60 1.331 -11.415 -5.738 534 2HG1 VAL 60 2HG1 VAL 60 1.305 -9.666 -5.933 535 3HG1 VAL 60 1HG1 VAL 60 2.452 -10.634 -6.856 536 1HG2 VAL 60 1HG2 VAL 60 3.320 -8.296 -5.026 537 2HG2 VAL 60 3HG2 VAL 60 4.663 -9.184 -4.303 538 3HG2 VAL 60 2HG2 VAL 60 4.331 -9.333 -6.032 539 MG1 VAL 60 QG1 VAL 60 1.696 -10.572 -6.176 540 MG2 VAL 60 QG2 VAL 60 4.105 -8.938 -5.121 541 QG VAL 60 QQG VAL 60 2.900 -9.755 -5.648 542 H PHE 61 H PHE 61 2.757 -8.416 -1.919 543 HA PHE 61 HA PHE 61 0.381 -6.770 -2.262 544 1HB PHE 61 2HB PHE 61 2.514 -7.169 -0.457 545 2HB PHE 61 1HB PHE 61 2.574 -5.509 -0.999 546 HD1 PHE 61 1HD PHE 61 1.996 -7.026 1.679 547 HD2 PHE 61 2HD PHE 61 -0.394 -4.961 -1.169 548 HE1 PHE 61 1HE PHE 61 0.439 -6.443 3.442 549 HE2 PHE 61 2HE PHE 61 -1.975 -4.370 0.617 550 HZ PHE 61 HZ PHE 61 -1.513 -5.099 2.933 551 QB PHE 61 QB PHE 61 2.544 -6.339 -0.728 552 QD PHE 61 QD PHE 61 0.801 -5.994 0.255 553 QE PHE 61 QE PHE 61 -0.768 -5.407 2.029 554 QR PHE 61 QR PHE 61 -0.289 -5.580 1.500 555 H PHE 62 H PHE 62 0.428 -5.359 -4.106 556 HA PHE 62 HA PHE 62 3.009 -4.053 -4.564 557 1HB PHE 62 2HB PHE 62 2.186 -5.218 -6.566 558 2HB PHE 62 1HB PHE 62 0.666 -4.316 -6.479 559 HD1 PHE 62 1HD PHE 62 0.492 -2.189 -7.464 560 HD2 PHE 62 2HD PHE 62 4.309 -4.017 -7.032 561 HE1 PHE 62 1HE PHE 62 1.473 -0.455 -8.892 562 HE2 PHE 62 2HE PHE 62 5.302 -2.278 -8.463 563 HZ PHE 62 HZ PHE 62 3.881 -0.490 -9.391 564 QB PHE 62 QB PHE 62 1.426 -4.767 -6.523 565 QD PHE 62 QD PHE 62 2.400 -3.103 -7.248 566 QE PHE 62 QE PHE 62 3.387 -1.367 -8.678 567 QR PHE 62 QR PHE 62 3.091 -1.886 -8.248 568 H GLN 63 H GLN 63 3.064 -2.003 -3.795 569 HA GLN 63 HA GLN 63 0.495 -0.593 -3.400 570 1HB GLN 63 2HB GLN 63 1.472 -2.065 -1.451 571 2HB GLN 63 1HB GLN 63 2.568 -0.719 -1.263 572 1HG GLN 63 2HG GLN 63 -0.432 -0.652 -0.996 573 2HG GLN 63 1HG GLN 63 0.765 -0.691 0.266 574 1HE2 GLN 63 1HE2 GLN 63 2.517 1.342 -0.923 575 2HE2 GLN 63 2HE2 GLN 63 1.634 2.831 -0.789 576 QB GLN 63 QB GLN 63 2.020 -1.392 -1.357 577 QG GLN 63 QG GLN 63 0.166 -0.672 -0.365 578 QE GLN 63 QE2 GLN 63 2.075 2.086 -0.856 579 H TRP 64 H TRP 64 0.822 1.552 -4.098 580 HA TRP 64 HA TRP 64 3.371 2.627 -3.394 581 1HB TRP 64 2HB TRP 64 3.957 3.507 -5.478 582 2HB TRP 64 1HB TRP 64 3.480 1.826 -5.814 583 HD1 TRP 64 HD TRP 64 3.508 5.030 -7.211 584 HE1 TRP 64 1HE TRP 64 1.688 5.433 -8.878 585 HE3 TRP 64 3HE TRP 64 0.446 1.157 -5.946 586 HZ2 TRP 64 2HZ TRP 64 -0.819 4.259 -9.617 587 HZ3 TRP 64 3HZ TRP 64 -1.678 0.908 -7.154 588 HH2 TRP 64 HH TRP 64 -2.276 2.411 -8.970 589 QB TRP 64 QB TRP 64 3.719 2.666 -5.646 590 H LEU 65 H LEU 65 3.318 5.106 -3.668 591 HA LEU 65 HA LEU 65 0.643 6.210 -3.722 592 1HB LEU 65 2HB LEU 65 0.836 7.376 -1.628 593 2HB LEU 65 1HB LEU 65 0.952 5.656 -1.357 594 HG LEU 65 HG LEU 65 3.355 7.390 -1.544 595 1HD1 LEU 65 1HD1 LEU 65 1.715 6.679 0.899 596 2HD1 LEU 65 3HD1 LEU 65 3.293 7.469 0.943 597 3HD1 LEU 65 2HD1 LEU 65 1.920 8.282 0.189 598 1HD2 LEU 65 1HD2 LEU 65 2.874 4.715 -0.200 599 2HD2 LEU 65 3HD2 LEU 65 3.784 4.991 -1.689 600 3HD2 LEU 65 2HD2 LEU 65 4.390 5.614 -0.156 601 MD1 LEU 65 QD1 LEU 65 2.309 7.477 0.677 602 MD2 LEU 65 QD2 LEU 65 3.683 5.107 -0.682 603 QB LEU 65 QB LEU 65 0.894 6.516 -1.492 604 QD LEU 65 QQD LEU 65 2.996 6.292 -0.003 605 H GLU 66 H GLU 66 0.543 8.367 -4.111 606 HA GLU 66 HA GLU 66 2.979 9.621 -5.179 607 1HB GLU 66 2HB GLU 66 0.093 10.435 -5.518 608 2HB GLU 66 1HB GLU 66 1.476 10.966 -6.433 609 1HG GLU 66 2HG GLU 66 1.610 8.852 -7.559 610 2HG GLU 66 1HG GLU 66 0.282 8.219 -6.567 611 QB GLU 66 QB GLU 66 0.784 10.700 -5.976 612 QG GLU 66 QG GLU 66 0.946 8.536 -7.063 613 H GLY 67 H GLY 67 3.723 11.249 -3.800 614 1HA GLY 67 1HA GLY 67 2.564 12.025 -1.441 615 2HA GLY 67 2HA GLY 67 1.866 13.050 -2.704 616 QA GLY 67 QA GLY 67 2.215 12.537 -2.072 617 H HIS 68 H HIS 68 3.172 14.627 -1.070 618 HA HIS 68 HA HIS 68 5.596 15.435 -2.313 619 1HB HIS 68 2HB HIS 68 4.371 17.131 -1.149 620 2HB HIS 68 1HB HIS 68 4.313 16.235 0.335 621 HD1 HIS 68 1HD HIS 68 6.262 16.525 1.981 622 HD2 HIS 68 2HD HIS 68 6.587 18.320 -1.668 623 HE1 HIS 68 1HE HIS 68 8.347 17.841 2.185 624 HE2 HIS 68 2HE HIS 68 8.276 19.314 0.113 625 QB HIS 68 QB HIS 68 4.342 16.683 -0.407 626 HA PRO 69 HA PRO 69 8.525 12.331 -1.154 627 1HB PRO 69 2HB PRO 69 10.480 14.201 -0.201 628 2HB PRO 69 1HB PRO 69 10.447 13.335 -1.732 629 1HG PRO 69 2HG PRO 69 9.479 16.074 -1.104 630 2HG PRO 69 1HG PRO 69 10.071 15.420 -2.645 631 1HD PRO 69 2HD PRO 69 7.517 15.941 -2.302 632 2HD PRO 69 1HD PRO 69 8.001 14.453 -3.149 633 QB PRO 69 QB PRO 69 10.463 13.768 -0.966 634 QG PRO 69 QG PRO 69 9.775 15.747 -1.874 635 QD PRO 69 QD PRO 69 7.759 15.197 -2.726 636 H ALA 70 H ALA 70 8.653 14.886 1.348 637 HA ALA 70 HA ALA 70 9.404 12.953 3.253 638 1HB ALA 70 3HB ALA 70 10.055 15.263 3.566 639 2HB ALA 70 1HB ALA 70 9.145 14.639 4.947 640 3HB ALA 70 2HB ALA 70 8.342 15.692 3.759 641 MB ALA 70 QB ALA 70 9.181 15.198 4.090 642 H ALA 71 H ALA 71 6.344 13.990 2.313 643 HA ALA 71 HA ALA 71 4.955 13.034 4.567 644 1HB ALA 71 1HB ALA 71 4.193 13.188 1.730 645 2HB ALA 71 3HB ALA 71 3.028 13.046 3.054 646 3HB ALA 71 2HB ALA 71 4.031 14.534 2.878 647 MB ALA 71 QB ALA 71 3.751 13.589 2.554 648 H VAL 72 H VAL 72 5.999 11.827 1.517 649 HA VAL 72 HA VAL 72 4.828 9.221 1.558 650 HB VAL 72 HB VAL 72 7.446 9.690 0.200 651 1HG1 VAL 72 1HG1 VAL 72 6.299 7.622 -0.064 652 2HG1 VAL 72 3HG1 VAL 72 4.884 8.539 -0.634 653 3HG1 VAL 72 2HG1 VAL 72 6.396 8.553 -1.597 654 1HG2 VAL 72 2HG2 VAL 72 4.914 10.968 -0.735 655 2HG2 VAL 72 1HG2 VAL 72 6.415 11.762 -0.172 656 3HG2 VAL 72 3HG2 VAL 72 6.415 10.818 -1.671 657 MG1 VAL 72 QG1 VAL 72 5.860 8.238 -0.765 658 MG2 VAL 72 QG2 VAL 72 5.915 11.182 -0.860 659 QG VAL 72 QQG VAL 72 5.887 9.710 -0.812 660 H ALA 73 H ALA 73 7.886 10.616 2.546 661 HA ALA 73 HA ALA 73 8.995 8.171 3.356 662 1HB ALA 73 1HB ALA 73 9.764 10.907 4.223 663 2HB ALA 73 3HB ALA 73 10.676 9.392 4.425 664 3HB ALA 73 2HB ALA 73 10.377 10.027 2.785 665 MB ALA 73 QB ALA 73 10.272 10.108 3.811 666 H GLU 74 H GLU 74 7.239 10.657 5.070 667 HA GLU 74 HA GLU 74 7.419 9.631 7.713 668 1HB GLU 74 2HB GLU 74 6.370 11.841 6.951 669 2HB GLU 74 1HB GLU 74 4.995 10.913 6.393 670 1HG GLU 74 2HG GLU 74 4.578 10.189 8.706 671 2HG GLU 74 1HG GLU 74 5.945 11.167 9.239 672 QB GLU 74 QB GLU 74 5.683 11.377 6.672 673 QG GLU 74 QG GLU 74 5.262 10.678 8.972 674 H VAL 75 H VAL 75 5.301 8.957 5.050 675 HA VAL 75 HA VAL 75 3.927 6.814 6.177 676 HB VAL 75 HB VAL 75 4.534 7.595 3.313 677 1HG1 VAL 75 1HG1 VAL 75 4.329 5.198 3.369 678 2HG1 VAL 75 3HG1 VAL 75 2.766 5.319 4.196 679 3HG1 VAL 75 2HG1 VAL 75 2.966 5.961 2.551 680 1HG2 VAL 75 2HG2 VAL 75 2.010 7.608 4.947 681 2HG2 VAL 75 1HG2 VAL 75 2.992 9.012 4.527 682 3HG2 VAL 75 3HG2 VAL 75 2.149 8.113 3.264 683 MG1 VAL 75 QG1 VAL 75 3.354 5.493 3.372 684 MG2 VAL 75 QG2 VAL 75 2.384 8.244 4.246 685 QG VAL 75 QQG VAL 75 2.869 6.868 3.809 686 H MET 76 H MET 76 6.864 6.731 3.969 687 HA MET 76 HA MET 76 7.493 4.114 4.110 688 1HB MET 76 2HB MET 76 9.424 6.422 4.237 689 2HB MET 76 1HB MET 76 9.854 4.785 3.833 690 1HG MET 76 2HG MET 76 7.781 6.127 2.344 691 2HG MET 76 1HG MET 76 9.451 6.570 1.923 692 1HE MET 76 2HE MET 76 6.496 4.344 1.902 693 2HE MET 76 1HE MET 76 6.941 2.890 0.960 694 3HE MET 76 3HE MET 76 7.508 3.068 2.606 695 QB MET 76 QB MET 76 9.639 5.603 4.035 696 QG MET 76 QG MET 76 8.616 6.348 2.133 697 ME MET 76 QE MET 76 6.982 3.434 1.822 698 H SER 77 H SER 77 8.501 6.558 6.473 699 HA SER 77 HA SER 77 10.036 4.944 8.098 700 1HB SER 77 2HB SER 77 9.835 7.423 8.255 701 2HB SER 77 1HB SER 77 8.233 7.215 8.964 702 HG SER 77 HG SER 77 10.673 7.060 10.098 703 QB SER 77 QB SER 77 9.034 7.319 8.610 704 H HIS 78 H HIS 78 6.558 5.582 8.283 705 HA HIS 78 HA HIS 78 6.225 3.732 10.465 706 1HB HIS 78 2HB HIS 78 4.147 4.984 8.655 707 2HB HIS 78 1HB HIS 78 3.749 3.950 10.024 708 HD1 HIS 78 1HD HIS 78 3.669 7.352 9.333 709 HD2 HIS 78 2HD HIS 78 5.397 5.145 12.400 710 HE1 HIS 78 1HE HIS 78 4.123 8.979 11.159 711 HE2 HIS 78 2HE HIS 78 5.484 7.664 12.810 712 QB HIS 78 QB HIS 78 3.948 4.467 9.339 713 H ILE 79 H ILE 79 6.145 3.462 7.088 714 HA ILE 79 HA ILE 79 4.868 0.929 6.974 715 HB ILE 79 HB ILE 79 5.856 2.929 5.138 716 1HG1 ILE 79 2HG1 ILE 79 3.489 1.065 5.140 717 2HG1 ILE 79 1HG1 ILE 79 3.545 2.771 5.536 718 1HG2 ILE 79 2HG2 ILE 79 6.268 0.127 4.340 719 2HG2 ILE 79 1HG2 ILE 79 5.849 1.387 3.136 720 3HG2 ILE 79 3HG2 ILE 79 7.278 1.533 4.147 721 1HD1 ILE 79 3HD1 ILE 79 4.128 3.244 3.190 722 2HD1 ILE 79 2HD1 ILE 79 3.913 1.527 2.844 723 3HD1 ILE 79 1HD1 ILE 79 2.542 2.488 3.398 724 MG ILE 79 QG2 ILE 79 6.465 1.015 3.874 725 MD ILE 79 QD1 ILE 79 3.528 2.420 3.144 726 QG ILE 79 QG1 ILE 79 3.517 1.918 5.338 727 H GLN 80 H GLN 80 8.270 1.860 6.439 728 HA GLN 80 HA GLN 80 9.260 -0.709 6.121 729 1HB GLN 80 2HB GLN 80 10.558 1.848 7.080 730 2HB GLN 80 1HB GLN 80 11.438 0.415 6.556 731 1HG GLN 80 2HG GLN 80 9.547 2.022 4.751 732 2HG GLN 80 1HG GLN 80 11.244 2.129 4.684 733 1HE2 GLN 80 1HE2 GLN 80 8.642 0.197 4.090 734 2HE2 GLN 80 2HE2 GLN 80 9.548 -0.920 3.111 735 QB GLN 80 QB GLN 80 10.998 1.131 6.818 736 QG GLN 80 QG GLN 80 10.395 2.076 4.717 737 QE GLN 80 QE2 GLN 80 9.095 -0.362 3.600 738 H ARG 81 H ARG 81 8.187 0.906 8.908 739 HA ARG 81 HA ARG 81 9.460 -1.024 10.727 740 1HB ARG 81 2HB ARG 81 8.158 1.676 11.153 741 2HB ARG 81 1HB ARG 81 8.647 0.607 12.467 742 1HG ARG 81 2HG ARG 81 10.896 0.796 11.959 743 2HG ARG 81 1HG ARG 81 10.590 1.540 10.385 744 1HD ARG 81 2HD ARG 81 11.373 3.113 12.198 745 2HD ARG 81 1HD ARG 81 9.855 3.567 11.423 746 HE ARG 81 HE ARG 81 9.159 2.066 13.605 747 1HH1 ARG 81 1HH1 ARG 81 11.034 5.055 13.193 748 2HH1 ARG 81 2HH1 ARG 81 10.458 5.736 14.646 749 1HH2 ARG 81 1HH2 ARG 81 8.348 3.031 15.497 750 2HH2 ARG 81 2HH2 ARG 81 8.881 4.562 16.000 751 QB ARG 81 QB ARG 81 8.402 1.141 11.810 752 QG ARG 81 QG ARG 81 10.743 1.168 11.172 753 QD ARG 81 QD ARG 81 10.614 3.340 11.811 754 QH1 ARG 81 QH1 ARG 81 10.746 5.395 13.920 755 QH2 ARG 81 QH2 ARG 81 8.614 3.797 15.748 756 H ASP 82 H ASP 82 7.379 -1.905 9.055 757 HA ASP 82 HA ASP 82 4.916 -1.887 10.662 758 1HB ASP 82 2HB ASP 82 4.930 -1.381 8.107 759 2HB ASP 82 1HB ASP 82 5.325 -3.041 7.936 760 QB ASP 82 QB ASP 82 5.128 -2.211 8.022 761 H ARG 83 H ARG 83 4.397 -4.482 8.891 762 HA ARG 83 HA ARG 83 5.570 -6.652 10.248 763 1HB ARG 83 2HB ARG 83 3.682 -7.132 11.810 764 2HB ARG 83 1HB ARG 83 4.617 -5.703 12.234 765 1HG ARG 83 2HG ARG 83 2.926 -4.285 11.199 766 2HG ARG 83 1HG ARG 83 1.970 -5.689 10.798 767 1HD ARG 83 2HD ARG 83 1.901 -6.313 13.229 768 2HD ARG 83 1HD ARG 83 2.691 -4.785 13.582 769 HE ARG 83 HE ARG 83 0.029 -4.971 12.305 770 1HH1 ARG 83 1HH1 ARG 83 2.226 -3.445 14.619 771 2HH1 ARG 83 2HH1 ARG 83 1.037 -2.428 15.292 772 1HH2 ARG 83 1HH2 ARG 83 -1.603 -3.618 13.249 773 2HH2 ARG 83 2HH2 ARG 83 -1.171 -2.528 14.506 774 QB ARG 83 QB ARG 83 4.150 -6.417 12.022 775 QG ARG 83 QG ARG 83 2.448 -4.987 10.998 776 QD ARG 83 QD ARG 83 2.296 -5.549 13.406 777 QH1 ARG 83 QH1 ARG 83 1.631 -2.936 14.956 778 QH2 ARG 83 QH2 ARG 83 -1.387 -3.073 13.877 779 H ARG 84 H ARG 84 2.729 -5.223 8.616 780 HA ARG 84 HA ARG 84 1.378 -7.704 8.099 781 1HB ARG 84 2HB ARG 84 0.927 -4.953 6.945 782 2HB ARG 84 1HB ARG 84 -0.175 -6.300 6.808 783 1HG ARG 84 2HG ARG 84 -1.225 -5.437 8.587 784 2HG ARG 84 1HG ARG 84 0.159 -5.947 9.546 785 1HD ARG 84 2HD ARG 84 1.220 -3.808 9.297 786 2HD ARG 84 1HD ARG 84 0.007 -3.311 8.119 787 HE ARG 84 HE ARG 84 -1.243 -4.020 10.483 788 1HH1 ARG 84 1HH1 ARG 84 1.061 -1.535 9.507 789 2HH1 ARG 84 2HH1 ARG 84 0.288 -0.256 10.291 790 1HH2 ARG 84 1HH2 ARG 84 -2.335 -2.328 11.583 791 2HH2 ARG 84 2HH2 ARG 84 -1.717 -0.709 11.564 792 QB ARG 84 QB ARG 84 0.376 -5.627 6.877 793 QG ARG 84 QG ARG 84 -0.533 -5.692 9.067 794 QD ARG 84 QD ARG 84 0.614 -3.560 8.708 795 QH1 ARG 84 QH1 ARG 84 0.674 -0.895 9.899 796 QH2 ARG 84 QH2 ARG 84 -2.026 -1.518 11.573 797 H HIS 85 H HIS 85 3.098 -5.389 6.386 798 HA HIS 85 HA HIS 85 2.917 -6.960 3.966 799 1HB HIS 85 2HB HIS 85 3.921 -5.020 2.755 800 2HB HIS 85 1HB HIS 85 2.316 -4.763 3.414 801 HD1 HIS 85 1HD HIS 85 3.307 -2.179 2.883 802 HD2 HIS 85 2HD HIS 85 4.728 -4.031 6.327 803 HE1 HIS 85 1HE HIS 85 4.463 -0.509 4.253 804 HE2 HIS 85 2HE HIS 85 5.332 -1.662 6.198 805 QB HIS 85 QB HIS 85 3.119 -4.891 3.085 806 H SER 86 H SER 86 4.129 -8.435 3.969 807 HA SER 86 HA SER 86 5.911 -9.262 5.572 808 1HB SER 86 2HB SER 86 4.794 -10.311 3.607 809 2HB SER 86 1HB SER 86 6.224 -9.873 2.721 810 HG SER 86 HG SER 86 6.750 -11.165 5.128 811 QB SER 86 QB SER 86 5.509 -10.092 3.164 812 H ASN 87 H ASN 87 7.027 -7.474 2.942 813 HA ASN 87 HA ASN 87 9.612 -7.333 4.301 814 1HB ASN 87 2HB ASN 87 9.569 -7.378 1.289 815 2HB ASN 87 1HB ASN 87 10.983 -7.428 2.305 816 1HD2 ASN 87 1HD2 ASN 87 10.311 -9.107 0.174 817 2HD2 ASN 87 2HD2 ASN 87 10.158 -10.716 0.800 818 QB ASN 87 QB ASN 87 10.276 -7.403 1.797 819 QD ASN 87 QD2 ASN 87 10.234 -9.911 0.487 820 H VAL 88 H VAL 88 7.346 -5.764 2.753 821 HA VAL 88 HA VAL 88 7.360 -4.094 1.305 822 HB VAL 88 HB VAL 88 6.259 -3.417 3.177 823 1HG1 VAL 88 2HG1 VAL 88 7.784 -3.685 4.852 824 2HG1 VAL 88 1HG1 VAL 88 8.728 -2.235 4.329 825 3HG1 VAL 88 3HG1 VAL 88 7.013 -2.036 4.800 826 1HG2 VAL 88 3HG2 VAL 88 6.668 -1.770 1.344 827 2HG2 VAL 88 2HG2 VAL 88 6.148 -1.079 2.872 828 3HG2 VAL 88 1HG2 VAL 88 7.846 -0.991 2.394 829 MG1 VAL 88 QG1 VAL 88 7.842 -2.652 4.660 830 MG2 VAL 88 QG2 VAL 88 6.887 -1.280 2.203 831 QG VAL 88 QQG VAL 88 7.364 -1.966 3.432 832 H GLU 89 H GLU 89 8.868 -4.631 0.038 833 HA GLU 89 HA GLU 89 11.335 -3.113 0.102 834 1HB GLU 89 2HB GLU 89 10.225 -5.222 -1.665 835 2HB GLU 89 1HB GLU 89 11.767 -4.467 -1.999 836 1HG GLU 89 2HG GLU 89 12.728 -5.343 -0.078 837 2HG GLU 89 1HG GLU 89 11.138 -5.727 0.577 838 QB GLU 89 QB GLU 89 10.996 -4.845 -1.832 839 QG GLU 89 QG GLU 89 11.933 -5.535 0.249 840 H ILE 90 H ILE 90 10.512 -1.142 -0.165 841 HA ILE 90 HA ILE 90 9.052 0.058 -2.219 842 HB ILE 90 HB ILE 90 11.705 1.209 -1.522 843 1HG1 ILE 90 2HG1 ILE 90 11.130 0.321 0.625 844 2HG1 ILE 90 1HG1 ILE 90 10.896 2.059 0.661 845 1HG2 ILE 90 3HG2 ILE 90 10.005 2.583 -2.832 846 2HG2 ILE 90 2HG2 ILE 90 8.938 2.460 -1.411 847 3HG2 ILE 90 1HG2 ILE 90 10.416 3.328 -1.281 848 1HD1 ILE 90 2HD1 ILE 90 8.524 1.739 0.315 849 2HD1 ILE 90 1HD1 ILE 90 8.757 -0.007 0.346 850 3HD1 ILE 90 3HD1 ILE 90 9.093 0.950 1.800 851 MG ILE 90 QG2 ILE 90 9.786 2.790 -1.841 852 MD ILE 90 QD1 ILE 90 8.792 0.894 0.820 853 QG ILE 90 QG1 ILE 90 11.013 1.190 0.643 854 H LEU 91 H LEU 91 12.380 0.004 -2.382 855 HA LEU 91 HA LEU 91 13.895 -0.413 -3.961 856 1HB LEU 91 2HB LEU 91 11.757 -2.207 -5.089 857 2HB LEU 91 1HB LEU 91 13.410 -2.167 -5.670 858 HG LEU 91 HG LEU 91 12.571 -3.031 -2.859 859 1HD1 LEU 91 1HD1 LEU 91 13.523 -4.610 -5.230 860 2HD1 LEU 91 3HD1 LEU 91 13.252 -5.229 -3.602 861 3HD1 LEU 91 2HD1 LEU 91 11.897 -4.616 -4.548 862 1HD2 LEU 91 3HD2 LEU 91 15.266 -3.052 -4.233 863 2HD2 LEU 91 2HD2 LEU 91 14.806 -1.984 -2.904 864 3HD2 LEU 91 1HD2 LEU 91 14.902 -3.723 -2.644 865 MD1 LEU 91 QD1 LEU 91 12.891 -4.818 -4.460 866 MD2 LEU 91 QD2 LEU 91 14.992 -2.920 -3.260 867 QB LEU 91 QB LEU 91 12.584 -2.187 -5.380 868 QD LEU 91 QQD LEU 91 13.941 -3.869 -3.860 869 H ALA 92 H ALA 92 10.926 1.094 -4.859 870 HA ALA 92 HA ALA 92 12.416 2.417 -7.010 871 1HB ALA 92 1HB ALA 92 10.982 0.846 -8.151 872 2HB ALA 92 2HB ALA 92 10.327 2.486 -8.363 873 3HB ALA 92 3HB ALA 92 9.601 1.384 -7.201 874 MB ALA 92 QB ALA 92 10.303 1.572 -7.905 875 H GLU 93 H GLU 93 12.589 4.443 -6.333 876 HA GLU 93 HA GLU 93 10.130 5.723 -5.411 877 1HB GLU 93 2HB GLU 93 12.921 6.449 -4.410 878 2HB GLU 93 1HB GLU 93 11.365 7.129 -3.943 879 1HG GLU 93 2HG GLU 93 10.659 5.200 -2.970 880 2HG GLU 93 1HG GLU 93 12.144 4.334 -3.419 881 QB GLU 93 QB GLU 93 12.143 6.789 -4.176 882 QG GLU 93 QG GLU 93 11.401 4.767 -3.195 883 H GLU 94 H GLU 94 9.510 7.007 -6.917 884 HA GLU 94 HA GLU 94 11.522 8.311 -8.609 885 1HB GLU 94 2HB GLU 94 9.727 8.290 -10.385 886 2HB GLU 94 1HB GLU 94 10.356 6.710 -9.945 887 1HG GLU 94 2HG GLU 94 8.431 6.215 -8.648 888 2HG GLU 94 1HG GLU 94 7.805 7.861 -8.831 889 QB GLU 94 QB GLU 94 10.042 7.500 -10.165 890 QG GLU 94 QG GLU 94 8.118 7.038 -8.739 891 H SER 95 H SER 95 11.368 10.467 -8.882 892 HA SER 95 HA SER 95 9.497 11.974 -7.290 893 1HB SER 95 2HB SER 95 11.571 12.884 -9.300 894 2HB SER 95 1HB SER 95 10.774 13.875 -8.066 895 HG SER 95 HG SER 95 12.653 13.290 -7.086 896 QB SER 95 QB SER 95 11.173 13.380 -8.683 897 H ILE 96 H ILE 96 7.592 12.620 -7.934 898 HA ILE 96 HA ILE 96 6.959 12.274 -10.818 899 HB ILE 96 HB ILE 96 4.784 11.672 -10.279 900 1HG1 ILE 96 2HG1 ILE 96 5.641 11.609 -7.395 901 2HG1 ILE 96 1HG1 ILE 96 4.696 12.909 -8.077 902 1HG2 ILE 96 2HG2 ILE 96 6.528 9.989 -10.528 903 2HG2 ILE 96 1HG2 ILE 96 6.834 10.021 -8.799 904 3HG2 ILE 96 3HG2 ILE 96 5.283 9.413 -9.406 905 1HD1 ILE 96 3HD1 ILE 96 2.992 11.183 -8.643 906 2HD1 ILE 96 2HD1 ILE 96 3.938 10.084 -7.636 907 3HD1 ILE 96 1HD1 ILE 96 3.274 11.579 -6.950 908 MG ILE 96 QG2 ILE 96 6.215 9.808 -9.577 909 MD ILE 96 QD1 ILE 96 3.401 10.948 -7.743 910 QG ILE 96 QG1 ILE 96 5.169 12.259 -7.736 911 H ALA 97 H ALA 97 4.945 13.301 -11.557 912 HA ALA 97 HA ALA 97 4.690 15.977 -10.432 913 1HB ALA 97 3HB ALA 97 5.182 15.730 -12.854 914 2HB ALA 97 1HB ALA 97 3.654 16.593 -12.460 915 3HB ALA 97 2HB ALA 97 3.590 14.898 -12.931 916 MB ALA 97 QB ALA 97 4.142 15.741 -12.749 917 H LYS 98 H LYS 98 3.562 13.263 -10.128 918 HA LYS 98 HA LYS 98 1.709 12.145 -9.469 919 1HB LYS 98 2HB LYS 98 2.281 14.006 -7.956 920 2HB LYS 98 1HB LYS 98 0.888 14.805 -8.633 921 1HG LYS 98 2HG LYS 98 0.248 12.149 -7.825 922 2HG LYS 98 1HG LYS 98 1.174 13.030 -6.647 923 1HD LYS 98 2HD LYS 98 -0.782 14.782 -7.547 924 2HD LYS 98 1HD LYS 98 -1.568 13.282 -6.969 925 1HE LYS 98 2HE LYS 98 -0.004 13.377 -5.158 926 2HE LYS 98 1HE LYS 98 0.418 15.022 -5.688 927 1HZ LYS 98 2HZ LYS 98 -2.354 14.177 -4.954 928 2HZ LYS 98 1HZ LYS 98 -1.366 15.002 -3.865 929 3HZ LYS 98 3HZ LYS 98 -1.882 15.737 -5.299 930 QB LYS 98 QB LYS 98 1.585 14.405 -8.294 931 QD LYS 98 QD LYS 98 -1.175 14.032 -7.258 932 QG LYS 98 QG LYS 98 0.711 12.590 -7.236 933 QE LYS 98 QE LYS 98 0.207 14.200 -5.423 934 QZ LYS 98 QZ LYS 98 -1.867 14.972 -4.706 935 H ARG 99 H ARG 99 -0.811 12.698 -9.277 936 HA ARG 99 HA ARG 99 -2.772 13.246 -10.147 937 1HB ARG 99 2HB ARG 99 -1.705 15.278 -11.193 938 2HB ARG 99 1HB ARG 99 -1.370 14.329 -12.613 939 1HG ARG 99 2HG ARG 99 -3.787 14.014 -12.982 940 2HG ARG 99 1HG ARG 99 -4.119 14.951 -11.534 941 1HD ARG 99 2HD ARG 99 -4.358 16.312 -13.531 942 2HD ARG 99 1HD ARG 99 -3.046 16.894 -12.502 943 HE ARG 99 HE ARG 99 -2.517 15.156 -14.793 944 1HH1 ARG 99 1HH1 ARG 99 -2.106 18.269 -13.181 945 2HH1 ARG 99 2HH1 ARG 99 -0.849 18.845 -14.132 946 1HH2 ARG 99 1HH2 ARG 99 -0.818 15.941 -16.258 947 2HH2 ARG 99 2HH2 ARG 99 -0.091 17.470 -15.987 948 QB ARG 99 QB ARG 99 -1.537 14.804 -11.903 949 QG ARG 99 QG ARG 99 -3.953 14.483 -12.258 950 QD ARG 99 QD ARG 99 -3.702 16.603 -13.017 951 QH1 ARG 99 QH1 ARG 99 -1.477 18.557 -13.656 952 QH2 ARG 99 QH2 ARG 99 -0.455 16.705 -16.123 953 H ARG 100 H ARG 100 -1.392 10.843 -10.274 954 HA ARG 100 HA ARG 100 -2.538 9.528 -12.585 955 1HB ARG 100 2HB ARG 100 -1.153 8.455 -10.125 956 2HB ARG 100 1HB ARG 100 -1.578 7.519 -11.552 957 1HG ARG 100 2HG ARG 100 -0.017 8.720 -12.894 958 2HG ARG 100 1HG ARG 100 0.225 9.882 -11.574 959 1HD ARG 100 2HD ARG 100 1.335 8.265 -10.231 960 2HD ARG 100 1HD ARG 100 0.829 6.938 -11.275 961 HE ARG 100 HE ARG 100 2.314 8.284 -12.955 962 1HH1 ARG 100 1HH1 ARG 100 3.080 7.832 -9.512 963 2HH1 ARG 100 2HH1 ARG 100 4.728 7.534 -9.804 964 1HH2 ARG 100 1HH2 ARG 100 4.625 7.862 -13.294 965 2HH2 ARG 100 2HH2 ARG 100 5.640 7.569 -11.956 966 QB ARG 100 QB ARG 100 -1.365 7.987 -10.838 967 QG ARG 100 QG ARG 100 0.104 9.301 -12.234 968 QD ARG 100 QD ARG 100 1.082 7.602 -10.753 969 QH1 ARG 100 QH1 ARG 100 3.904 7.683 -9.658 970 QH2 ARG 100 QH2 ARG 100 5.132 7.716 -12.625 971 H PHE 101 H PHE 101 -2.887 9.763 -9.043 972 HA PHE 101 HA PHE 101 -5.676 8.997 -9.348 973 1HB PHE 101 2HB PHE 101 -3.708 8.178 -7.186 974 2HB PHE 101 1HB PHE 101 -5.450 8.050 -6.989 975 HD1 PHE 101 1HD PHE 101 -6.565 6.133 -7.726 976 HD2 PHE 101 2HD PHE 101 -2.636 6.925 -9.154 977 HE1 PHE 101 1HE PHE 101 -6.513 3.929 -8.811 978 HE2 PHE 101 2HE PHE 101 -2.588 4.729 -10.239 979 HZ PHE 101 HZ PHE 101 -4.491 3.229 -10.071 980 QB PHE 101 QB PHE 101 -4.579 8.114 -7.087 981 QD PHE 101 QD PHE 101 -4.601 6.529 -8.440 982 QE PHE 101 QE PHE 101 -4.551 4.329 -9.525 983 QR PHE 101 QR PHE 101 -4.559 4.989 -9.200 984 H ALA 102 H ALA 102 -6.947 9.846 -7.534 985 HA ALA 102 HA ALA 102 -5.917 12.434 -6.587 986 1HB ALA 102 2HB ALA 102 -7.708 12.723 -8.249 987 2HB ALA 102 1HB ALA 102 -8.776 11.711 -7.268 988 3HB ALA 102 3HB ALA 102 -8.229 13.273 -6.656 989 MB ALA 102 QB ALA 102 -8.238 12.569 -7.391 990 H GLY 103 H GLY 103 -6.824 9.388 -5.716 991 1HA GLY 103 1HA GLY 103 -8.218 9.258 -3.494 992 2HA GLY 103 2HA GLY 103 -6.774 10.105 -2.927 993 QA GLY 103 QA GLY 103 -7.496 9.682 -3.210 994 H TRP 104 H TRP 104 -6.200 8.220 -1.641 995 HA TRP 104 HA TRP 104 -4.840 6.199 -3.169 996 1HB TRP 104 2HB TRP 104 -3.648 6.923 -1.242 997 2HB TRP 104 1HB TRP 104 -5.058 6.796 -0.227 998 HD1 TRP 104 HD TRP 104 -2.068 4.775 -1.416 999 HE1 TRP 104 1HE TRP 104 -2.096 2.521 -0.236 1000 HE3 TRP 104 3HE TRP 104 -6.714 5.021 0.712 1001 HZ2 TRP 104 2HZ TRP 104 -3.928 1.047 1.430 1002 HZ3 TRP 104 3HZ TRP 104 -7.497 3.353 1.962 1003 HH2 TRP 104 HH TRP 104 -6.237 1.365 2.385 1004 QB TRP 104 QB TRP 104 -4.353 6.859 -0.735 1005 H HIS 105 H HIS 105 -5.275 3.984 -3.236 1006 HA HIS 105 HA HIS 105 -8.038 3.323 -2.519 1007 1HB HIS 105 2HB HIS 105 -6.470 2.873 -5.012 1008 2HB HIS 105 1HB HIS 105 -7.906 1.899 -4.657 1009 HD1 HIS 105 1HD HIS 105 -6.782 5.387 -5.542 1010 HD2 HIS 105 2HD HIS 105 -10.330 3.263 -5.078 1011 HE1 HIS 105 1HE HIS 105 -8.586 6.863 -6.438 1012 HE2 HIS 105 2HE HIS 105 -10.701 5.689 -5.846 1013 QB HIS 105 QB HIS 105 -7.188 2.386 -4.835 1014 H MET 106 H MET 106 -8.361 1.209 -1.880 1015 HA MET 106 HA MET 106 -5.902 -0.228 -1.232 1016 1HB MET 106 2HB MET 106 -7.841 0.472 0.495 1017 2HB MET 106 1HB MET 106 -8.606 -0.968 -0.137 1018 1HG MET 106 2HG MET 106 -5.886 -0.909 1.201 1019 2HG MET 106 1HG MET 106 -7.393 -1.320 1.991 1020 1HE MET 106 2HE MET 106 -4.678 -3.091 1.948 1021 2HE MET 106 1HE MET 106 -6.116 -3.574 2.872 1022 3HE MET 106 3HE MET 106 -5.348 -4.712 1.744 1023 QB MET 106 QB MET 106 -8.224 -0.248 0.179 1024 QG MET 106 QG MET 106 -6.640 -1.114 1.596 1025 ME MET 106 QE MET 106 -5.381 -3.792 2.188 1026 H GLN 107 H GLN 107 -6.327 -2.682 -1.492 1027 HA GLN 107 HA GLN 107 -7.536 -3.153 -4.062 1028 1HB GLN 107 2HB GLN 107 -5.488 -4.352 -3.406 1029 2HB GLN 107 1HB GLN 107 -6.338 -5.079 -2.051 1030 1HG GLN 107 2HG GLN 107 -6.142 -6.694 -3.804 1031 2HG GLN 107 1HG GLN 107 -7.832 -6.216 -3.653 1032 1HE2 GLN 107 1HE2 GLN 107 -6.412 -7.424 -5.856 1033 2HE2 GLN 107 2HE2 GLN 107 -6.632 -6.390 -7.213 1034 QB GLN 107 QB GLN 107 -5.913 -4.716 -2.728 1035 QG GLN 107 QG GLN 107 -6.987 -6.455 -3.729 1036 QE GLN 107 QE2 GLN 107 -6.522 -6.907 -6.534 1037 H LEU 108 H LEU 108 -8.167 -3.781 -0.666 1038 HA LEU 108 HA LEU 108 -10.632 -5.117 -1.348 1039 1HB LEU 108 2HB LEU 108 -8.965 -5.852 0.534 1040 2HB LEU 108 1HB LEU 108 -9.696 -4.572 1.470 1041 HG LEU 108 HG LEU 108 -10.619 -6.756 2.073 1042 1HD1 LEU 108 3HD1 LEU 108 -12.671 -5.095 0.643 1043 2HD1 LEU 108 2HD1 LEU 108 -13.009 -6.358 1.829 1044 3HD1 LEU 108 1HD1 LEU 108 -12.138 -4.900 2.312 1045 1HD2 LEU 108 3HD2 LEU 108 -10.269 -7.931 -0.012 1046 2HD2 LEU 108 2HD2 LEU 108 -11.950 -8.075 0.501 1047 3HD2 LEU 108 1HD2 LEU 108 -11.524 -6.967 -0.798 1048 MD1 LEU 108 QD1 LEU 108 -12.606 -5.451 1.595 1049 MD2 LEU 108 QD2 LEU 108 -11.248 -7.658 -0.103 1050 QB LEU 108 QB LEU 108 -9.330 -5.212 1.002 1051 QD LEU 108 QQD LEU 108 -11.927 -6.554 0.746 1052 H SER 109 H SER 109 -11.110 -3.014 -2.339 1053 HA SER 109 HA SER 109 -12.632 -1.313 -0.491 1054 1HB SER 109 2HB SER 109 -12.106 -1.013 -3.477 1055 2HB SER 109 1HB SER 109 -12.837 0.203 -2.429 1056 HG SER 109 HG SER 109 -10.836 0.093 -1.214 1057 QB SER 109 QB SER 109 -12.472 -0.405 -2.953 1058 H CYS 110 H CYS 110 -12.649 -3.719 -2.902 1059 HA CYS 110 HA CYS 110 -14.899 -5.025 -2.304 1060 1HB CYS 110 2HB CYS 110 -16.034 -2.960 -3.397 1061 2HB CYS 110 1HB CYS 110 -15.221 -3.436 -4.889 1062 HG CYS 110 HG CYS 110 -17.641 -4.370 -5.379 1063 QB CYS 110 QB CYS 110 -15.628 -3.198 -4.143 1064 H SER 111 H SER 111 -15.180 -6.467 -4.581 1065 HA SER 111 HA SER 111 -12.858 -6.545 -6.162 1066 1HB SER 111 2HB SER 111 -12.118 -8.830 -5.407 1067 2HB SER 111 1HB SER 111 -11.766 -7.544 -4.247 1068 HG SER 111 HG SER 111 -13.597 -8.180 -3.094 1069 QB SER 111 QB SER 111 -11.942 -8.187 -4.827 1070 H GLU 112 H GLU 112 -12.922 -8.973 -7.154 1071 HA GLU 112 HA GLU 112 -15.175 -9.135 -8.757 1072 1HB GLU 112 2HB GLU 112 -13.208 -11.295 -7.942 1073 2HB GLU 112 1HB GLU 112 -14.354 -11.444 -9.258 1074 1HG GLU 112 2HG GLU 112 -12.105 -10.949 -10.095 1075 2HG GLU 112 1HG GLU 112 -13.227 -9.644 -10.455 1076 QB GLU 112 QB GLU 112 -13.781 -11.370 -8.600 1077 QG GLU 112 QG GLU 112 -12.666 -10.296 -10.275 1078 H ALA 113 H ALA 113 -14.204 -11.101 -6.024 1079 HA ALA 113 HA ALA 113 -15.230 -12.305 -4.425 1080 1HB ALA 113 1HB ALA 113 -17.205 -11.445 -3.396 1081 2HB ALA 113 3HB ALA 113 -16.216 -10.079 -3.922 1082 3HB ALA 113 2HB ALA 113 -17.637 -10.553 -4.855 1083 MB ALA 113 QB ALA 113 -17.020 -10.692 -4.058 1084 H ASP 114 H ASP 114 -16.418 -12.519 -7.507 1085 HA ASP 114 HA ASP 114 -18.414 -14.511 -6.910 1086 1HB ASP 114 2HB ASP 114 -18.647 -14.741 -9.308 1087 2HB ASP 114 1HB ASP 114 -18.596 -13.033 -8.898 1088 QB ASP 114 QB ASP 114 -18.621 -13.887 -9.103 1089 H MET 115 H MET 115 -15.128 -14.333 -8.009 1090 HA MET 115 HA MET 115 -14.734 -17.021 -8.593 1091 1HB MET 115 2HB MET 115 -12.721 -15.020 -7.537 1092 2HB MET 115 1HB MET 115 -12.306 -16.576 -8.235 1093 1HG MET 115 2HG MET 115 -13.185 -15.882 -10.383 1094 2HG MET 115 1HG MET 115 -13.701 -14.344 -9.691 1095 1HE MET 115 2HE MET 115 -11.934 -14.577 -12.292 1096 2HE MET 115 1HE MET 115 -12.408 -13.029 -11.597 1097 3HE MET 115 3HE MET 115 -10.720 -13.330 -12.008 1098 QB MET 115 QB MET 115 -12.514 -15.798 -7.886 1099 QG MET 115 QG MET 115 -13.443 -15.113 -10.037 1100 ME MET 115 QE MET 115 -11.687 -13.646 -11.966 1101 H ARG 116 H ARG 116 -14.249 -15.127 -5.710 1102 HA ARG 116 HA ARG 116 -14.301 -15.464 -3.497 1103 1HB ARG 116 2HB ARG 116 -15.393 -18.154 -4.195 1104 2HB ARG 116 1HB ARG 116 -15.350 -17.468 -2.567 1105 1HG ARG 116 2HG ARG 116 -16.853 -15.684 -3.328 1106 2HG ARG 116 1HG ARG 116 -16.899 -16.432 -4.926 1107 1HD ARG 116 2HD ARG 116 -17.830 -17.659 -2.339 1108 2HD ARG 116 1HD ARG 116 -18.845 -17.107 -3.671 1109 HE ARG 116 HE ARG 116 -17.122 -18.934 -4.767 1110 1HH1 ARG 116 1HH1 ARG 116 -19.723 -19.014 -2.366 1111 2HH1 ARG 116 2HH1 ARG 116 -19.961 -20.696 -2.535 1112 1HH2 ARG 116 1HH2 ARG 116 -17.482 -21.202 -4.977 1113 2HH2 ARG 116 2HH2 ARG 116 -18.671 -21.955 -4.017 1114 QB ARG 116 QB ARG 116 -15.372 -17.811 -3.381 1115 QG ARG 116 QG ARG 116 -16.876 -16.058 -4.127 1116 QD ARG 116 QD ARG 116 -18.337 -17.383 -3.005 1117 QH1 ARG 116 QH1 ARG 116 -19.842 -19.855 -2.451 1118 QH2 ARG 116 QH2 ARG 116 -18.077 -21.578 -4.497 1119 H SER 117 H SER 117 -12.581 -17.810 -5.392 1120 HA SER 117 HA SER 117 -11.264 -19.244 -3.425 1121 1HB SER 117 2HB SER 117 -9.738 -19.594 -5.518 1122 2HB SER 117 1HB SER 117 -11.391 -20.218 -5.498 1123 HG SER 117 HG SER 117 -10.293 -18.376 -7.122 1124 QB SER 117 QB SER 117 -10.564 -19.906 -5.508 1125 H LEU 118 H LEU 118 -10.981 -16.085 -3.990 1126 HA LEU 118 HA LEU 118 -8.191 -15.623 -3.805 1127 1HB LEU 118 2HB LEU 118 -8.927 -13.238 -3.396 1128 2HB LEU 118 1HB LEU 118 -9.429 -13.962 -4.901 1129 HG LEU 118 HG LEU 118 -11.689 -14.381 -3.789 1130 1HD1 LEU 118 1HD1 LEU 118 -10.650 -12.397 -1.791 1131 2HD1 LEU 118 3HD1 LEU 118 -12.329 -12.916 -1.956 1132 3HD1 LEU 118 2HD1 LEU 118 -11.089 -14.077 -1.481 1133 1HD2 LEU 118 2HD2 LEU 118 -10.799 -11.546 -4.285 1134 2HD2 LEU 118 1HD2 LEU 118 -11.389 -12.688 -5.491 1135 3HD2 LEU 118 3HD2 LEU 118 -12.471 -12.099 -4.231 1136 MD1 LEU 118 QD1 LEU 118 -11.356 -13.130 -1.743 1137 MD2 LEU 118 QD2 LEU 118 -11.553 -12.111 -4.669 1138 QB LEU 118 QB LEU 118 -9.178 -13.600 -4.149 1139 QD LEU 118 QQD LEU 118 -11.454 -12.620 -3.206 1140 H GLY 119 H GLY 119 -10.247 -16.810 -1.549 1141 1HA GLY 119 1HA GLY 119 -9.099 -15.367 0.727 1142 2HA GLY 119 2HA GLY 119 -8.668 -17.066 0.560 1143 QA GLY 119 QA GLY 119 -8.883 -16.217 0.643 1144 H LEU 120 H LEU 120 -11.787 -16.028 -0.420 1145 HA LEU 120 HA LEU 120 -13.076 -16.548 2.111 1146 1HB LEU 120 2HB LEU 120 -13.827 -14.928 0.209 1147 2HB LEU 120 1HB LEU 120 -14.374 -16.398 -0.577 1148 HG LEU 120 HG LEU 120 -15.444 -15.467 2.096 1149 1HD1 LEU 120 3HD1 LEU 120 -15.927 -13.793 0.412 1150 2HD1 LEU 120 2HD1 LEU 120 -16.584 -15.038 -0.657 1151 3HD1 LEU 120 1HD1 LEU 120 -17.387 -14.665 0.868 1152 1HD2 LEU 120 3HD2 LEU 120 -16.517 -17.453 0.080 1153 2HD2 LEU 120 2HD2 LEU 120 -15.798 -17.854 1.639 1154 3HD2 LEU 120 1HD2 LEU 120 -17.319 -16.967 1.574 1155 MD1 LEU 120 QD1 LEU 120 -16.633 -14.499 0.208 1156 MD2 LEU 120 QD2 LEU 120 -16.545 -17.425 1.098 1157 QB LEU 120 QB LEU 120 -14.101 -15.663 -0.184 1158 QD LEU 120 QQD LEU 120 -16.589 -15.962 0.653 1159 H ALA 121 H ALA 121 -13.169 -18.030 -1.119 1160 HA ALA 121 HA ALA 121 -14.161 -20.385 0.148 1161 1HB ALA 121 2HB ALA 121 -14.276 -19.628 -2.765 1162 2HB ALA 121 3HB ALA 121 -15.602 -19.551 -1.608 1163 3HB ALA 121 1HB ALA 121 -14.933 -21.111 -2.073 1164 MB ALA 121 QB ALA 121 -14.937 -20.097 -2.149 1165 H GLU 122 H GLU 122 -12.326 -21.219 0.824 1166 HA GLU 122 HA GLU 122 -10.687 -22.493 -1.190 1167 1HB GLU 122 2HB GLU 122 -9.457 -20.451 -0.311 1168 2HB GLU 122 1HB GLU 122 -9.562 -21.164 1.293 1169 1HG GLU 122 2HG GLU 122 -8.260 -23.085 0.528 1170 2HG GLU 122 1HG GLU 122 -8.145 -22.360 -1.075 1171 QB GLU 122 QB GLU 122 -9.509 -20.807 0.491 1172 QG GLU 122 QG GLU 122 -8.203 -22.723 -0.274 1173 H SER 123 H SER 123 -9.802 -24.472 -0.290 1174 HA SER 123 HA SER 123 -11.702 -25.737 1.331 1175 1HB SER 123 2HB SER 123 -8.973 -26.637 0.418 1176 2HB SER 123 1HB SER 123 -10.245 -27.686 1.061 1177 HG SER 123 HG SER 123 -11.294 -26.147 -0.835 1178 QB SER 123 QB SER 123 -9.609 -27.162 0.739 1179 H ARG 124 H ARG 124 -11.451 -26.593 3.389 1180 HA ARG 124 HA ARG 124 -9.384 -25.322 5.053 1181 1HB ARG 124 2HB ARG 124 -11.012 -24.783 6.764 1182 2HB ARG 124 1HB ARG 124 -11.618 -24.131 5.257 1183 1HG ARG 124 2HG ARG 124 -12.548 -26.761 6.400 1184 2HG ARG 124 1HG ARG 124 -13.318 -25.230 6.795 1185 1HD ARG 124 2HD ARG 124 -14.044 -24.955 4.540 1186 2HD ARG 124 1HD ARG 124 -13.043 -26.303 3.985 1187 HE ARG 124 HE ARG 124 -14.567 -27.507 5.777 1188 1HH1 ARG 124 1HH1 ARG 124 -15.581 -25.290 3.194 1189 2HH1 ARG 124 2HH1 ARG 124 -17.094 -26.044 2.960 1190 1HH2 ARG 124 1HH2 ARG 124 -16.589 -28.566 5.393 1191 2HH2 ARG 124 2HH2 ARG 124 -17.698 -27.940 4.274 1192 QB ARG 124 QB ARG 124 -11.315 -24.457 6.010 1193 QG ARG 124 QG ARG 124 -12.933 -25.996 6.597 1194 QD ARG 124 QD ARG 124 -13.544 -25.629 4.263 1195 QH1 ARG 124 QH1 ARG 124 -16.337 -25.667 3.077 1196 QH2 ARG 124 QH2 ARG 124 -17.144 -28.253 4.834 1197 H GLN 125 H GLN 125 -9.496 -27.887 3.846 1198 HA GLN 125 HA GLN 125 -9.439 -30.073 4.104 1199 1HB GLN 125 2HB GLN 125 -7.751 -29.642 5.744 1200 2HB GLN 125 1HB GLN 125 -8.988 -29.266 6.938 1201 1HG GLN 125 2HG GLN 125 -9.732 -31.633 6.853 1202 2HG GLN 125 1HG GLN 125 -8.451 -31.960 5.687 1203 1HE2 GLN 125 1HE2 GLN 125 -8.020 -29.868 8.477 1204 2HE2 GLN 125 2HE2 GLN 125 -6.987 -30.949 9.332 1205 QB GLN 125 QB GLN 125 -8.370 -29.454 6.341 1206 QG GLN 125 QG GLN 125 -9.092 -31.796 6.270 1207 QE GLN 125 QE2 GLN 125 -7.503 -30.409 8.905 No H/Q in entry = 1207 Start of MODEL 7 1 H1 LEU 5 2HT LEU 5 3.744 30.984 -29.113 2 H2 LEU 5 1HT LEU 5 2.549 31.344 -30.260 3 H3 LEU 5 3HT LEU 5 3.111 32.528 -29.197 4 HA LEU 5 HA LEU 5 0.966 31.746 -28.471 5 1HB LEU 5 2HB LEU 5 1.390 29.460 -29.526 6 2HB LEU 5 1HB LEU 5 2.394 29.107 -28.139 7 HG LEU 5 HG LEU 5 0.358 29.493 -26.701 8 1HD1 LEU 5 2HD1 LEU 5 -1.037 29.371 -29.368 9 2HD1 LEU 5 1HD1 LEU 5 -1.820 29.298 -27.790 10 3HD1 LEU 5 3HD1 LEU 5 -0.968 30.758 -28.286 11 1HD2 LEU 5 1HD2 LEU 5 0.287 27.252 -28.714 12 2HD2 LEU 5 3HD2 LEU 5 1.192 27.269 -27.198 13 3HD2 LEU 5 2HD2 LEU 5 -0.572 27.279 -27.174 14 MD1 LEU 5 QD1 LEU 5 -1.275 29.809 -28.481 15 MD2 LEU 5 QD2 LEU 5 0.302 27.267 -27.695 16 QB LEU 5 QB LEU 5 1.892 29.284 -28.832 17 QD LEU 5 QQD LEU 5 -0.486 28.538 -28.088 18 H GLU 6 H GLU 6 0.608 31.765 -26.134 19 HA GLU 6 HA GLU 6 3.045 32.263 -24.722 20 1HB GLU 6 2HB GLU 6 1.149 33.896 -24.508 21 2HB GLU 6 1HB GLU 6 0.243 32.531 -23.840 22 1HG GLU 6 2HG GLU 6 1.116 34.234 -22.259 23 2HG GLU 6 1HG GLU 6 1.495 32.548 -21.851 24 QB GLU 6 QB GLU 6 0.696 33.214 -24.174 25 QG GLU 6 QG GLU 6 1.306 33.391 -22.055 26 H ALA 7 H ALA 7 3.487 31.240 -22.807 27 HA ALA 7 HA ALA 7 2.729 28.428 -22.877 28 1HB ALA 7 2HB ALA 7 4.881 29.842 -21.310 29 2HB ALA 7 3HB ALA 7 5.103 28.954 -22.818 30 3HB ALA 7 1HB ALA 7 4.612 28.098 -21.360 31 MB ALA 7 QB ALA 7 4.865 28.965 -21.829 32 H ASP 8 H ASP 8 1.604 27.497 -21.343 33 HA ASP 8 HA ASP 8 0.504 29.143 -19.198 34 1HB ASP 8 2HB ASP 8 -1.060 27.804 -20.579 35 2HB ASP 8 1HB ASP 8 -0.214 26.334 -20.112 36 QB ASP 8 QB ASP 8 -0.637 27.069 -20.345 37 H VAL 9 H VAL 9 0.648 28.398 -16.998 38 HA VAL 9 HA VAL 9 3.065 27.558 -16.313 39 HB VAL 9 HB VAL 9 2.189 27.194 -13.990 40 1HG1 VAL 9 2HG1 VAL 9 1.431 29.739 -15.413 41 2HG1 VAL 9 1HG1 VAL 9 1.618 29.567 -13.669 42 3HG1 VAL 9 3HG1 VAL 9 3.011 29.356 -14.731 43 1HG2 VAL 9 3HG2 VAL 9 -0.352 27.965 -15.346 44 2HG2 VAL 9 2HG2 VAL 9 -0.002 26.413 -14.588 45 3HG2 VAL 9 1HG2 VAL 9 -0.150 27.878 -13.587 46 MG1 VAL 9 QG1 VAL 9 2.020 29.554 -14.604 47 MG2 VAL 9 QG2 VAL 9 -0.168 27.419 -14.507 48 QG VAL 9 QQG VAL 9 0.926 28.486 -14.556 49 H THR 10 H THR 10 0.210 25.622 -16.914 50 HA THR 10 HA THR 10 -0.290 23.401 -16.722 51 HB THR 10 HB THR 10 1.187 21.972 -17.882 52 HG1 THR 10 1HG THR 10 3.008 23.906 -17.331 53 1HG2 THR 10 2HG2 THR 10 -0.397 23.281 -19.146 54 2HG2 THR 10 1HG2 THR 10 0.739 24.625 -19.239 55 3HG2 THR 10 3HG2 THR 10 1.085 23.122 -20.096 56 MG THR 10 QG2 THR 10 0.476 23.676 -19.494 57 H MET 11 H MET 11 -0.092 23.756 -14.290 58 HA MET 11 HA MET 11 2.180 22.355 -13.218 59 1HB MET 11 2HB MET 11 0.049 24.005 -11.912 60 2HB MET 11 1HB MET 11 1.314 23.158 -11.048 61 1HG MET 11 2HG MET 11 2.992 24.523 -12.290 62 2HG MET 11 1HG MET 11 1.654 25.400 -13.023 63 1HE MET 11 2HE MET 11 -0.400 25.567 -10.573 64 2HE MET 11 1HE MET 11 0.043 27.121 -9.868 65 3HE MET 11 3HE MET 11 -0.045 26.941 -11.620 66 QB MET 11 QB MET 11 0.682 23.581 -11.480 67 QG MET 11 QG MET 11 2.323 24.961 -12.656 68 ME MET 11 QE MET 11 -0.134 26.543 -10.687 69 H THR 12 H THR 12 1.661 20.256 -13.702 70 HA THR 12 HA THR 12 -0.734 19.068 -12.656 71 HB THR 12 HB THR 12 0.476 17.067 -13.116 72 HG1 THR 12 1HG THR 12 2.387 17.515 -14.659 73 1HG2 THR 12 2HG2 THR 12 -1.056 17.965 -14.753 74 2HG2 THR 12 1HG2 THR 12 0.204 19.005 -15.413 75 3HG2 THR 12 3HG2 THR 12 0.318 17.254 -15.610 76 MG THR 12 QG2 THR 12 -0.178 18.075 -15.259 77 H GLY 13 H GLY 13 2.689 18.874 -11.955 78 1HA GLY 13 1HA GLY 13 2.557 17.586 -9.568 79 2HA GLY 13 2HA GLY 13 2.381 19.308 -9.206 80 QA GLY 13 QA GLY 13 2.469 18.447 -9.387 81 H SER 14 H SER 14 4.408 19.212 -8.173 82 HA SER 14 HA SER 14 6.709 18.851 -9.945 83 1HB SER 14 2HB SER 14 7.577 21.019 -8.916 84 2HB SER 14 1HB SER 14 6.250 21.134 -10.081 85 HG SER 14 HG SER 14 6.215 22.193 -7.773 86 QB SER 14 QB SER 14 6.913 21.077 -9.499 87 H ASP 15 H ASP 15 5.493 19.221 -6.580 88 HA ASP 15 HA ASP 15 7.945 18.206 -5.570 89 1HB ASP 15 2HB ASP 15 7.083 19.101 -3.504 90 2HB ASP 15 1HB ASP 15 7.298 20.396 -4.632 91 QB ASP 15 QB ASP 15 7.191 19.748 -4.068 92 H LEU 16 H LEU 16 6.483 16.463 -6.749 93 HA LEU 16 HA LEU 16 5.497 14.826 -4.560 94 1HB LEU 16 2HB LEU 16 4.526 14.832 -7.371 95 2HB LEU 16 1HB LEU 16 3.966 13.781 -6.082 96 HG LEU 16 HG LEU 16 2.319 15.248 -6.357 97 1HD1 LEU 16 1HD1 LEU 16 2.736 15.104 -4.049 98 2HD1 LEU 16 3HD1 LEU 16 3.853 16.467 -4.126 99 3HD1 LEU 16 2HD1 LEU 16 2.134 16.713 -4.436 100 1HD2 LEU 16 1HD2 LEU 16 4.228 17.514 -6.662 101 2HD2 LEU 16 3HD2 LEU 16 3.226 16.705 -7.872 102 3HD2 LEU 16 2HD2 LEU 16 2.456 17.665 -6.607 103 MD1 LEU 16 QD1 LEU 16 2.908 16.095 -4.204 104 MD2 LEU 16 QD2 LEU 16 3.304 17.294 -7.047 105 QB LEU 16 QB LEU 16 4.246 14.307 -6.726 106 QD LEU 16 QQD LEU 16 3.106 16.694 -5.625 107 H VAL 17 H VAL 17 5.631 12.684 -4.780 108 HA VAL 17 HA VAL 17 7.655 11.775 -6.418 109 HB VAL 17 HB VAL 17 7.885 12.015 -3.433 110 1HG1 VAL 17 1HG1 VAL 17 9.181 10.115 -5.203 111 2HG1 VAL 17 3HG1 VAL 17 9.858 10.493 -3.593 112 3HG1 VAL 17 2HG1 VAL 17 8.207 9.789 -3.713 113 1HG2 VAL 17 2HG2 VAL 17 9.003 13.702 -4.889 114 2HG2 VAL 17 1HG2 VAL 17 10.134 12.795 -3.869 115 3HG2 VAL 17 3HG2 VAL 17 9.970 12.403 -5.572 116 MG1 VAL 17 QG1 VAL 17 9.082 10.132 -4.170 117 MG2 VAL 17 QG2 VAL 17 9.702 12.967 -4.776 118 QG VAL 17 QQG VAL 17 9.392 11.549 -4.473 119 H SER 18 H SER 18 7.551 9.422 -6.379 120 HA SER 18 HA SER 18 5.286 8.169 -5.007 121 1HB SER 18 2HB SER 18 6.190 7.690 -7.847 122 2HB SER 18 1HB SER 18 5.160 6.566 -6.964 123 HG SER 18 HG SER 18 3.904 8.608 -6.582 124 QB SER 18 QB SER 18 5.675 7.128 -7.406 125 H CYS 19 H CYS 19 6.059 6.776 -3.610 126 HA CYS 19 HA CYS 19 8.428 5.240 -4.308 127 1HB CYS 19 2HB CYS 19 6.847 5.449 -1.725 128 2HB CYS 19 1HB CYS 19 8.215 4.370 -1.948 129 HG CYS 19 HG CYS 19 10.136 6.145 -1.786 130 QB CYS 19 QB CYS 19 7.531 4.909 -1.836 131 H CYS 20 H CYS 20 8.132 3.329 -5.244 132 HA CYS 20 HA CYS 20 5.385 2.256 -5.308 133 1HB CYS 20 2HB CYS 20 7.628 1.910 -7.324 134 2HB CYS 20 1HB CYS 20 5.974 1.326 -7.478 135 HG CYS 20 HG CYS 20 7.160 4.003 -8.716 136 QB CYS 20 QB CYS 20 6.801 1.618 -7.401 137 H TYR 21 H TYR 21 5.348 0.520 -3.854 138 HA TYR 21 HA TYR 21 7.885 -0.933 -3.724 139 1HB TYR 21 2HB TYR 21 7.748 -1.133 -1.450 140 2HB TYR 21 1HB TYR 21 7.329 0.535 -1.793 141 HD1 TYR 21 1HD TYR 21 5.808 -2.760 -0.791 142 HD2 TYR 21 2HD TYR 21 5.571 1.489 -0.801 143 HE1 TYR 21 1HE TYR 21 3.985 -2.848 0.868 144 HE2 TYR 21 2HE TYR 21 3.802 1.382 0.813 145 HH TYR 21 HH TYR 21 2.088 -0.283 1.616 146 QB TYR 21 QB TYR 21 7.538 -0.299 -1.621 147 QD TYR 21 QD TYR 21 5.690 -0.636 -0.796 148 QE TYR 21 QE TYR 21 3.893 -0.733 0.841 149 QR TYR 21 QR TYR 21 4.792 -0.684 0.022 150 H ARG 22 H ARG 22 7.688 -3.101 -3.051 151 HA ARG 22 HA ARG 22 4.971 -4.185 -3.233 152 1HB ARG 22 2HB ARG 22 5.446 -5.849 -4.783 153 2HB ARG 22 1HB ARG 22 6.689 -4.689 -5.219 154 1HG ARG 22 2HG ARG 22 7.248 -6.905 -3.299 155 2HG ARG 22 1HG ARG 22 7.364 -7.131 -5.038 156 1HD ARG 22 2HD ARG 22 9.080 -5.465 -5.183 157 2HD ARG 22 1HD ARG 22 8.851 -5.024 -3.488 158 HE ARG 22 HE ARG 22 9.820 -7.029 -2.819 159 1HH1 ARG 22 1HH1 ARG 22 9.809 -6.804 -6.383 160 2HH1 ARG 22 2HH1 ARG 22 11.140 -7.848 -6.570 161 1HH2 ARG 22 1HH2 ARG 22 11.632 -8.457 -3.122 162 2HH2 ARG 22 2HH2 ARG 22 12.189 -8.828 -4.700 163 QB ARG 22 QB ARG 22 6.067 -5.269 -5.001 164 QG ARG 22 QG ARG 22 7.306 -7.018 -4.169 165 QD ARG 22 QD ARG 22 8.965 -5.245 -4.335 166 QH1 ARG 22 QH1 ARG 22 10.475 -7.326 -6.476 167 QH2 ARG 22 QH2 ARG 22 11.910 -8.643 -3.911 168 H SER 23 H SER 23 4.754 -6.261 -2.129 169 HA SER 23 HA SER 23 6.875 -6.772 -0.306 170 1HB SER 23 2HB SER 23 4.095 -6.163 0.726 171 2HB SER 23 1HB SER 23 5.432 -6.756 1.701 172 HG SER 23 HG SER 23 6.029 -4.589 0.200 173 QB SER 23 QB SER 23 4.764 -6.459 1.214 174 H LEU 24 H LEU 24 6.297 -8.821 0.943 175 HA LEU 24 HA LEU 24 4.338 -10.435 -0.547 176 1HB LEU 24 2HB LEU 24 6.852 -11.312 0.910 177 2HB LEU 24 1HB LEU 24 5.604 -12.442 0.456 178 HG LEU 24 HG LEU 24 7.429 -12.615 -1.079 179 1HD1 LEU 24 3HD1 LEU 24 5.247 -12.957 -1.997 180 2HD1 LEU 24 2HD1 LEU 24 5.115 -11.236 -2.376 181 3HD1 LEU 24 1HD1 LEU 24 6.316 -12.231 -3.200 182 1HD2 LEU 24 3HD2 LEU 24 8.421 -10.385 -0.829 183 2HD2 LEU 24 2HD2 LEU 24 8.156 -10.782 -2.533 184 3HD2 LEU 24 1HD2 LEU 24 7.056 -9.685 -1.700 185 MD1 LEU 24 QD1 LEU 24 5.559 -12.141 -2.525 186 MD2 LEU 24 QD2 LEU 24 7.878 -10.284 -1.687 187 QB LEU 24 QB LEU 24 6.228 -11.877 0.683 188 QD LEU 24 QQD LEU 24 6.719 -11.213 -2.106 189 H ALA 25 H ALA 25 2.624 -9.750 0.609 190 HA ALA 25 HA ALA 25 2.397 -8.996 3.237 191 1HB ALA 25 1HB ALA 25 0.630 -8.733 1.589 192 2HB ALA 25 3HB ALA 25 0.308 -10.465 1.660 193 3HB ALA 25 2HB ALA 25 0.030 -9.460 3.080 194 MB ALA 25 QB ALA 25 0.323 -9.553 2.109 195 H ALA 26 H ALA 26 2.594 -9.972 5.223 196 HA ALA 26 HA ALA 26 3.391 -12.501 5.408 197 1HB ALA 26 2HB ALA 26 4.054 -11.059 7.088 198 2HB ALA 26 1HB ALA 26 2.429 -10.425 7.314 199 3HB ALA 26 3HB ALA 26 2.827 -12.040 7.901 200 MB ALA 26 QB ALA 26 3.103 -11.175 7.434 201 HA PRO 27 HA PRO 27 -0.876 -14.344 5.331 202 1HB PRO 27 2HB PRO 27 0.025 -16.888 5.812 203 2HB PRO 27 1HB PRO 27 0.074 -16.134 4.209 204 1HG PRO 27 2HG PRO 27 2.221 -16.032 6.322 205 2HG PRO 27 1HG PRO 27 2.399 -16.713 4.648 206 1HD PRO 27 2HD PRO 27 3.240 -14.402 5.264 207 2HD PRO 27 1HD PRO 27 2.178 -14.504 3.841 208 QB PRO 27 QB PRO 27 0.049 -16.511 5.010 209 QG PRO 27 QG PRO 27 2.310 -16.372 5.485 210 QD PRO 27 QD PRO 27 2.709 -14.453 4.553 211 H ASP 28 H ASP 28 1.228 -13.818 7.661 212 HA ASP 28 HA ASP 28 -0.009 -15.303 9.839 213 1HB ASP 28 2HB ASP 28 2.464 -15.022 9.746 214 2HB ASP 28 1HB ASP 28 2.245 -13.290 9.968 215 QB ASP 28 QB ASP 28 2.354 -14.156 9.857 216 H LEU 29 H LEU 29 -0.235 -12.262 8.325 217 HA LEU 29 HA LEU 29 -1.053 -10.602 10.463 218 1HB LEU 29 2HB LEU 29 -1.666 -10.405 7.520 219 2HB LEU 29 1HB LEU 29 -1.880 -9.125 8.698 220 HG LEU 29 HG LEU 29 0.749 -10.378 8.062 221 1HD1 LEU 29 3HD1 LEU 29 -0.233 -9.275 6.067 222 2HD1 LEU 29 2HD1 LEU 29 -0.385 -7.786 6.980 223 3HD1 LEU 29 1HD1 LEU 29 1.225 -8.458 6.624 224 1HD2 LEU 29 2HD2 LEU 29 0.009 -7.835 9.504 225 2HD2 LEU 29 1HD2 LEU 29 0.689 -9.295 10.216 226 3HD2 LEU 29 3HD2 LEU 29 1.660 -8.326 9.109 227 MD1 LEU 29 QD1 LEU 29 0.202 -8.506 6.557 228 MD2 LEU 29 QD2 LEU 29 0.786 -8.485 9.610 229 QB LEU 29 QB LEU 29 -1.773 -9.765 8.109 230 QD LEU 29 QQD LEU 29 0.494 -8.496 8.083 231 H THR 30 H THR 30 -3.190 -9.758 10.797 232 HA THR 30 HA THR 30 -5.263 -11.742 10.506 233 HB THR 30 HB THR 30 -6.499 -9.984 11.734 234 HG1 THR 30 1HG THR 30 -5.033 -8.537 12.943 235 1HG2 THR 30 1HG2 THR 30 -4.106 -11.258 12.971 236 2HG2 THR 30 3HG2 THR 30 -5.487 -10.551 13.855 237 3HG2 THR 30 2HG2 THR 30 -5.762 -11.918 12.756 238 MG THR 30 QG2 THR 30 -5.118 -11.242 13.194 239 H LEU 31 H LEU 31 -7.192 -11.250 9.523 240 HA LEU 31 HA LEU 31 -7.304 -9.551 7.236 241 1HB LEU 31 2HB LEU 31 -8.852 -11.450 7.900 242 2HB LEU 31 1HB LEU 31 -9.334 -10.266 9.137 243 HG LEU 31 HG LEU 31 -10.199 -8.770 7.449 244 1HD1 LEU 31 1HD1 LEU 31 -8.779 -9.367 5.591 245 2HD1 LEU 31 3HD1 LEU 31 -9.605 -10.930 5.436 246 3HD1 LEU 31 2HD1 LEU 31 -10.481 -9.408 5.174 247 1HD2 LEU 31 2HD2 LEU 31 -11.684 -10.322 8.501 248 2HD2 LEU 31 1HD2 LEU 31 -12.181 -10.050 6.826 249 3HD2 LEU 31 3HD2 LEU 31 -11.340 -11.542 7.272 250 MD1 LEU 31 QD1 LEU 31 -9.622 -9.901 5.400 251 MD2 LEU 31 QD2 LEU 31 -11.735 -10.638 7.533 252 QB LEU 31 QB LEU 31 -9.093 -10.858 8.518 253 QD LEU 31 QQD LEU 31 -10.678 -10.270 6.466 254 H ARG 32 H ARG 32 -7.975 -9.128 10.679 255 HA ARG 32 HA ARG 32 -9.216 -6.640 10.204 256 1HB ARG 32 2HB ARG 32 -9.563 -7.906 12.320 257 2HB ARG 32 1HB ARG 32 -7.921 -7.485 12.797 258 1HG ARG 32 2HG ARG 32 -9.537 -5.970 13.846 259 2HG ARG 32 1HG ARG 32 -8.490 -5.125 12.698 260 1HD ARG 32 2HD ARG 32 -10.891 -4.443 12.502 261 2HD ARG 32 1HD ARG 32 -10.212 -5.087 11.010 262 HE ARG 32 HE ARG 32 -11.521 -7.037 12.633 263 1HH1 ARG 32 1HH1 ARG 32 -12.125 -4.495 10.199 264 2HH1 ARG 32 2HH1 ARG 32 -13.434 -5.332 9.496 265 1HH2 ARG 32 1HH2 ARG 32 -13.337 -8.130 11.594 266 2HH2 ARG 32 2HH2 ARG 32 -14.130 -7.388 10.284 267 QB ARG 32 QB ARG 32 -8.742 -7.695 12.558 268 QG ARG 32 QG ARG 32 -9.014 -5.547 13.272 269 QD ARG 32 QD ARG 32 -10.551 -4.765 11.756 270 QH1 ARG 32 QH1 ARG 32 -12.780 -4.913 9.847 271 QH2 ARG 32 QH2 ARG 32 -13.733 -7.759 10.939 272 H ASP 33 H ASP 33 -5.919 -7.633 10.437 273 HA ASP 33 HA ASP 33 -4.835 -5.079 10.869 274 1HB ASP 33 2HB ASP 33 -3.641 -7.394 10.976 275 2HB ASP 33 1HB ASP 33 -3.474 -7.220 9.234 276 QB ASP 33 QB ASP 33 -3.557 -7.307 10.105 277 H LEU 34 H LEU 34 -5.827 -6.915 7.928 278 HA LEU 34 HA LEU 34 -4.771 -4.849 6.123 279 1HB LEU 34 2HB LEU 34 -6.828 -6.986 5.508 280 2HB LEU 34 1HB LEU 34 -6.156 -5.893 4.330 281 HG LEU 34 HG LEU 34 -5.163 -8.014 4.002 282 1HD1 LEU 34 2HD1 LEU 34 -3.576 -6.191 3.752 283 2HD1 LEU 34 1HD1 LEU 34 -3.155 -6.323 5.460 284 3HD1 LEU 34 3HD1 LEU 34 -2.783 -7.643 4.370 285 1HD2 LEU 34 3HD2 LEU 34 -5.727 -8.842 6.199 286 2HD2 LEU 34 2HD2 LEU 34 -4.071 -9.297 5.698 287 3HD2 LEU 34 1HD2 LEU 34 -4.353 -7.959 6.846 288 MD1 LEU 34 QD1 LEU 34 -3.172 -6.719 4.527 289 MD2 LEU 34 QD2 LEU 34 -4.717 -8.699 6.248 290 QB LEU 34 QB LEU 34 -6.492 -6.439 4.919 291 QD LEU 34 QQD LEU 34 -3.944 -7.709 5.388 292 H LEU 35 H LEU 35 -7.737 -5.584 7.553 293 HA LEU 35 HA LEU 35 -9.226 -3.558 6.196 294 1HB LEU 35 2HB LEU 35 -9.783 -5.302 8.580 295 2HB LEU 35 1HB LEU 35 -10.894 -4.040 8.105 296 HG LEU 35 HG LEU 35 -11.370 -6.454 7.346 297 1HD1 LEU 35 3HD1 LEU 35 -11.302 -4.206 5.310 298 2HD1 LEU 35 2HD1 LEU 35 -12.308 -5.648 5.200 299 3HD1 LEU 35 1HD1 LEU 35 -12.579 -4.479 6.495 300 1HD2 LEU 35 3HD2 LEU 35 -9.063 -6.825 6.501 301 2HD2 LEU 35 2HD2 LEU 35 -10.292 -7.195 5.271 302 3HD2 LEU 35 1HD2 LEU 35 -9.374 -5.673 5.235 303 MD1 LEU 35 QD1 LEU 35 -12.063 -4.778 5.668 304 MD2 LEU 35 QD2 LEU 35 -9.576 -6.565 5.669 305 QB LEU 35 QB LEU 35 -10.339 -4.671 8.342 306 QD LEU 35 QQD LEU 35 -10.820 -5.671 5.669 307 H ASP 36 H ASP 36 -7.339 -3.647 9.008 308 HA ASP 36 HA ASP 36 -8.148 -0.991 9.901 309 1HB ASP 36 2HB ASP 36 -7.231 -2.683 11.515 310 2HB ASP 36 1HB ASP 36 -5.660 -2.511 10.744 311 QB ASP 36 QB ASP 36 -6.446 -2.597 11.129 312 H ILE 37 H ILE 37 -5.608 -2.373 7.973 313 HA ILE 37 HA ILE 37 -3.921 -0.218 7.511 314 HB ILE 37 HB ILE 37 -4.766 -2.527 5.758 315 1HG1 ILE 37 2HG1 ILE 37 -2.031 -1.908 6.745 316 2HG1 ILE 37 1HG1 ILE 37 -3.182 -2.660 7.831 317 1HG2 ILE 37 1HG2 ILE 37 -2.713 -0.424 5.024 318 2HG2 ILE 37 3HG2 ILE 37 -2.977 -1.939 4.157 319 3HG2 ILE 37 2HG2 ILE 37 -4.244 -0.713 4.202 320 1HD1 ILE 37 1HD1 ILE 37 -2.770 -3.856 5.146 321 2HD1 ILE 37 3HD1 ILE 37 -1.483 -4.016 6.315 322 3HD1 ILE 37 2HD1 ILE 37 -3.050 -4.680 6.709 323 MG ILE 37 QG2 ILE 37 -3.311 -1.025 4.461 324 MD ILE 37 QD1 ILE 37 -2.434 -4.184 6.057 325 QG ILE 37 QG1 ILE 37 -2.607 -2.284 7.288 326 H VAL 38 H VAL 38 -6.795 -1.165 5.702 327 HA VAL 38 HA VAL 38 -6.740 1.005 3.976 328 HB VAL 38 HB VAL 38 -8.187 -0.929 3.452 329 1HG1 VAL 38 3HG1 VAL 38 -9.964 -0.031 5.673 330 2HG1 VAL 38 2HG1 VAL 38 -10.329 -1.293 4.483 331 3HG1 VAL 38 1HG1 VAL 38 -8.979 -1.494 5.599 332 1HG2 VAL 38 2HG2 VAL 38 -9.687 1.675 3.604 333 2HG2 VAL 38 1HG2 VAL 38 -8.782 1.058 2.232 334 3HG2 VAL 38 3HG2 VAL 38 -10.275 0.261 2.737 335 MG1 VAL 38 QG1 VAL 38 -9.758 -0.940 5.252 336 MG2 VAL 38 QG2 VAL 38 -9.581 0.998 2.858 337 QG VAL 38 QQG VAL 38 -9.669 0.029 4.055 338 H GLU 39 H GLU 39 -8.322 0.768 7.101 339 HA GLU 39 HA GLU 39 -9.651 3.216 7.248 340 1HB GLU 39 2HB GLU 39 -8.203 1.726 9.447 341 2HB GLU 39 1HB GLU 39 -9.400 2.979 9.688 342 1HG GLU 39 2HG GLU 39 -9.999 0.418 8.244 343 2HG GLU 39 1HG GLU 39 -10.150 0.595 9.990 344 QB GLU 39 QB GLU 39 -8.801 2.352 9.568 345 QG GLU 39 QG GLU 39 -10.074 0.507 9.117 346 H THR 40 H THR 40 -6.438 2.355 8.437 347 HA THR 40 HA THR 40 -5.698 4.888 9.338 348 HB THR 40 HB THR 40 -3.892 2.593 8.552 349 HG1 THR 40 1HG THR 40 -5.201 1.714 10.102 350 1HG2 THR 40 1HG2 THR 40 -2.718 4.733 8.974 351 2HG2 THR 40 3HG2 THR 40 -3.507 4.839 10.551 352 3HG2 THR 40 2HG2 THR 40 -2.364 3.537 10.217 353 MG THR 40 QG2 THR 40 -2.863 4.370 9.914 354 H SER 41 H SER 41 -4.989 3.243 6.261 355 HA SER 41 HA SER 41 -3.063 5.032 5.371 356 1HB SER 41 2HB SER 41 -4.889 3.274 3.742 357 2HB SER 41 1HB SER 41 -3.441 4.085 3.131 358 HG SER 41 HG SER 41 -3.664 2.008 5.016 359 QB SER 41 QB SER 41 -4.165 3.680 3.436 360 H GLN 42 H GLN 42 -6.574 5.106 4.748 361 HA GLN 42 HA GLN 42 -6.551 7.291 2.936 362 1HB GLN 42 2HB GLN 42 -8.621 6.401 4.896 363 2HB GLN 42 1HB GLN 42 -8.906 7.594 3.638 364 1HG GLN 42 2HG GLN 42 -8.703 6.053 1.945 365 2HG GLN 42 1HG GLN 42 -7.814 4.938 2.984 366 1HE2 GLN 42 1HE2 GLN 42 -9.688 5.177 5.209 367 2HE2 GLN 42 2HE2 GLN 42 -11.017 4.222 4.622 368 QB GLN 42 QB GLN 42 -8.763 6.997 4.267 369 QG GLN 42 QG GLN 42 -8.258 5.495 2.465 370 QE GLN 42 QE2 GLN 42 -10.353 4.699 4.916 371 H ALA 43 H ALA 43 -6.952 7.090 6.387 372 HA ALA 43 HA ALA 43 -7.489 9.796 6.868 373 1HB ALA 43 2HB ALA 43 -7.256 9.187 9.169 374 2HB ALA 43 3HB ALA 43 -6.315 7.746 8.734 375 3HB ALA 43 1HB ALA 43 -8.012 7.854 8.271 376 MB ALA 43 QB ALA 43 -7.195 8.262 8.725 377 H HIS 44 H HIS 44 -4.503 7.997 6.750 378 HA HIS 44 HA HIS 44 -2.928 10.279 7.559 379 1HB HIS 44 2HB HIS 44 -2.346 7.836 8.032 380 2HB HIS 44 1HB HIS 44 -2.076 7.749 6.292 381 HD1 HIS 44 1HD HIS 44 0.326 6.905 7.152 382 HD2 HIS 44 2HD HIS 44 -0.495 10.938 7.661 383 HE1 HIS 44 1HE HIS 44 2.551 8.016 7.492 384 HE2 HIS 44 2HE HIS 44 2.024 10.316 8.118 385 QB HIS 44 QB HIS 44 -2.211 7.792 7.162 386 H ASN 45 H ASN 45 -3.822 8.672 4.534 387 HA ASN 45 HA ASN 45 -2.087 10.101 2.827 388 1HB ASN 45 2HB ASN 45 -4.614 8.574 2.355 389 2HB ASN 45 1HB ASN 45 -3.969 9.592 1.069 390 1HD2 ASN 45 1HD2 ASN 45 -4.262 6.675 1.354 391 2HD2 ASN 45 2HD2 ASN 45 -2.691 6.048 1.024 392 QB ASN 45 QB ASN 45 -4.292 9.083 1.712 393 QD ASN 45 QD2 ASN 45 -3.476 6.361 1.189 394 H ALA 46 H ALA 46 -5.422 10.674 3.790 395 HA ALA 46 HA ALA 46 -5.893 13.004 2.344 396 1HB ALA 46 3HB ALA 46 -7.561 13.522 4.076 397 2HB ALA 46 1HB ALA 46 -6.840 12.297 5.121 398 3HB ALA 46 2HB ALA 46 -7.630 11.812 3.619 399 MB ALA 46 QB ALA 46 -7.343 12.544 4.272 400 H ARG 47 H ARG 47 -4.523 12.488 5.523 401 HA ARG 47 HA ARG 47 -4.002 15.144 6.216 402 1HB ARG 47 2HB ARG 47 -3.904 13.140 7.747 403 2HB ARG 47 1HB ARG 47 -2.400 12.751 6.901 404 1HG ARG 47 2HG ARG 47 -1.889 13.781 9.031 405 2HG ARG 47 1HG ARG 47 -1.364 14.773 7.670 406 1HD ARG 47 2HD ARG 47 -3.328 16.199 7.945 407 2HD ARG 47 1HD ARG 47 -3.874 15.196 9.293 408 HE ARG 47 HE ARG 47 -1.240 16.412 9.434 409 1HH1 ARG 47 1HH1 ARG 47 -4.589 16.402 10.559 410 2HH1 ARG 47 2HH1 ARG 47 -4.319 17.392 11.920 411 1HH2 ARG 47 1HH2 ARG 47 -0.823 17.790 11.357 412 2HH2 ARG 47 2HH2 ARG 47 -2.114 18.184 12.372 413 QB ARG 47 QB ARG 47 -3.152 12.945 7.324 414 QG ARG 47 QG ARG 47 -1.627 14.277 8.351 415 QD ARG 47 QD ARG 47 -3.601 15.698 8.619 416 QH1 ARG 47 QH1 ARG 47 -4.454 16.897 11.240 417 QH2 ARG 47 QH2 ARG 47 -1.468 17.987 11.865 418 H ALA 48 H ALA 48 -1.835 12.735 4.787 419 HA ALA 48 HA ALA 48 0.107 14.733 4.685 420 1HB ALA 48 1HB ALA 48 0.730 12.461 5.178 421 2HB ALA 48 2HB ALA 48 1.613 13.141 3.814 422 3HB ALA 48 3HB ALA 48 0.300 11.974 3.530 423 MB ALA 48 QB ALA 48 0.881 12.525 4.174 424 H GLN 49 H GLN 49 -2.442 14.213 2.688 425 HA GLN 49 HA GLN 49 -3.136 15.221 0.748 426 1HB GLN 49 2HB GLN 49 -0.362 16.412 0.740 427 2HB GLN 49 1HB GLN 49 -1.697 16.984 -0.293 428 1HG GLN 49 2HG GLN 49 -2.658 18.029 1.481 429 2HG GLN 49 1HG GLN 49 -2.071 16.702 2.526 430 1HE2 GLN 49 1HE2 GLN 49 -0.203 16.819 3.499 431 2HE2 GLN 49 2HE2 GLN 49 0.885 18.125 3.564 432 QB GLN 49 QB GLN 49 -1.029 16.698 0.223 433 QG GLN 49 QG GLN 49 -2.365 17.365 2.004 434 QE GLN 49 QE2 GLN 49 0.341 17.472 3.531 435 H LEU 50 H LEU 50 -1.969 12.749 0.943 436 HA LEU 50 HA LEU 50 -0.543 12.170 -1.518 437 1HB LEU 50 2HB LEU 50 -1.138 10.761 0.991 438 2HB LEU 50 1HB LEU 50 -0.885 9.787 -0.442 439 HG LEU 50 HG LEU 50 1.261 10.663 -0.746 440 1HD1 LEU 50 3HD1 LEU 50 0.797 12.413 1.637 441 2HD1 LEU 50 2HD1 LEU 50 2.361 12.169 0.858 442 3HD1 LEU 50 1HD1 LEU 50 1.036 12.927 -0.025 443 1HD2 LEU 50 1HD2 LEU 50 0.836 9.842 2.096 444 2HD2 LEU 50 3HD2 LEU 50 1.131 8.784 0.714 445 3HD2 LEU 50 2HD2 LEU 50 2.397 9.885 1.291 446 MD1 LEU 50 QD1 LEU 50 1.398 12.503 0.823 447 MD2 LEU 50 QD2 LEU 50 1.455 9.504 1.367 448 QB LEU 50 QB LEU 50 -1.012 10.274 0.275 449 QD LEU 50 QQD LEU 50 1.426 11.003 1.095 450 H THR 51 H THR 51 -1.110 10.507 -2.948 451 HA THR 51 HA THR 51 -3.920 9.645 -3.317 452 HB THR 51 HB THR 51 -3.596 10.184 -5.715 453 HG1 THR 51 1HG THR 51 -1.623 10.563 -6.229 454 1HG2 THR 51 1HG2 THR 51 -4.751 11.547 -4.129 455 2HG2 THR 51 3HG2 THR 51 -3.249 12.452 -3.832 456 3HG2 THR 51 2HG2 THR 51 -4.015 12.551 -5.441 457 MG THR 51 QG2 THR 51 -4.005 12.183 -4.467 458 H GLY 52 H GLY 52 -4.003 7.559 -4.407 459 1HA GLY 52 1HA GLY 52 -2.230 5.862 -3.110 460 2HA GLY 52 2HA GLY 52 -1.570 6.091 -4.721 461 QA GLY 52 QA GLY 52 -1.900 5.976 -3.916 462 H ALA 53 H ALA 53 -1.804 3.793 -4.443 463 HA ALA 53 HA ALA 53 -4.358 2.594 -4.379 464 1HB ALA 53 1HB ALA 53 -4.471 3.354 -6.723 465 2HB ALA 53 2HB ALA 53 -4.389 1.599 -6.642 466 3HB ALA 53 3HB ALA 53 -2.955 2.532 -7.068 467 MB ALA 53 QB ALA 53 -3.938 2.495 -6.811 468 H LEU 54 H LEU 54 -4.158 0.447 -3.810 469 HA LEU 54 HA LEU 54 -1.552 -0.725 -4.308 470 1HB LEU 54 2HB LEU 54 -1.357 -1.729 -2.164 471 2HB LEU 54 1HB LEU 54 -1.711 -0.051 -1.883 472 HG LEU 54 HG LEU 54 -4.136 -0.860 -1.434 473 1HD1 LEU 54 2HD1 LEU 54 -2.666 -3.486 -1.103 474 2HD1 LEU 54 1HD1 LEU 54 -4.315 -3.169 -0.576 475 3HD1 LEU 54 3HD1 LEU 54 -3.914 -3.144 -2.295 476 1HD2 LEU 54 3HD2 LEU 54 -1.886 -1.569 0.434 477 2HD2 LEU 54 2HD2 LEU 54 -2.673 0.000 0.288 478 3HD2 LEU 54 1HD2 LEU 54 -3.576 -1.381 0.900 479 MD1 LEU 54 QD1 LEU 54 -3.632 -3.266 -1.325 480 MD2 LEU 54 QD2 LEU 54 -2.712 -0.983 0.541 481 QB LEU 54 QB LEU 54 -1.534 -0.890 -2.023 482 QD LEU 54 QQD LEU 54 -3.172 -2.125 -0.392 483 H PHE 55 H PHE 55 -1.513 -2.878 -4.605 484 HA PHE 55 HA PHE 55 -4.097 -4.146 -5.074 485 1HB PHE 55 2HB PHE 55 -1.569 -4.411 -6.742 486 2HB PHE 55 1HB PHE 55 -3.022 -5.373 -6.965 487 HD1 PHE 55 1HD PHE 55 -5.102 -4.312 -7.764 488 HD2 PHE 55 2HD PHE 55 -1.418 -2.190 -7.594 489 HE1 PHE 55 1HE PHE 55 -6.020 -2.603 -9.278 490 HE2 PHE 55 2HE PHE 55 -2.333 -0.477 -9.105 491 HZ PHE 55 HZ PHE 55 -4.635 -0.681 -9.946 492 QB PHE 55 QB PHE 55 -2.295 -4.892 -6.853 493 QD PHE 55 QD PHE 55 -3.260 -3.251 -7.679 494 QE PHE 55 QE PHE 55 -4.176 -1.540 -9.192 495 QR PHE 55 QR PHE 55 -3.902 -2.052 -8.738 496 H TYR 56 H TYR 56 -4.213 -6.187 -4.338 497 HA TYR 56 HA TYR 56 -1.838 -7.345 -3.169 498 1HB TYR 56 2HB TYR 56 -2.955 -6.068 -1.315 499 2HB TYR 56 1HB TYR 56 -4.459 -6.846 -1.718 500 HD1 TYR 56 1HD TYR 56 -4.299 -7.119 0.833 501 HD2 TYR 56 2HD TYR 56 -1.853 -9.262 -1.888 502 HE1 TYR 56 1HE TYR 56 -3.969 -8.890 2.522 503 HE2 TYR 56 2HE TYR 56 -1.503 -11.024 -0.216 504 HH TYR 56 HH TYR 56 -1.604 -11.286 2.234 505 QB TYR 56 QB TYR 56 -3.707 -6.457 -1.516 506 QD TYR 56 QD TYR 56 -3.076 -8.191 -0.528 507 QE TYR 56 QE TYR 56 -2.736 -9.957 1.153 508 QR TYR 56 QR TYR 56 -2.906 -9.074 0.313 509 H SER 57 H SER 57 -1.798 -9.145 -4.359 510 HA SER 57 HA SER 57 -4.299 -10.574 -4.728 511 1HB SER 57 2HB SER 57 -3.174 -11.407 -6.883 512 2HB SER 57 1HB SER 57 -3.801 -9.758 -6.856 513 HG SER 57 HG SER 57 -1.151 -10.667 -6.813 514 QB SER 57 QB SER 57 -3.488 -10.582 -6.869 515 H GLN 58 H GLN 58 -4.334 -12.232 -3.497 516 HA GLN 58 HA GLN 58 -3.923 -14.182 -2.514 517 1HB GLN 58 2HB GLN 58 -3.176 -14.882 -4.782 518 2HB GLN 58 1HB GLN 58 -1.539 -14.428 -4.377 519 1HG GLN 58 2HG GLN 58 -1.651 -16.099 -2.513 520 2HG GLN 58 1HG GLN 58 -3.180 -16.645 -3.200 521 1HE2 GLN 58 1HE2 GLN 58 0.231 -16.592 -3.552 522 2HE2 GLN 58 2HE2 GLN 58 0.344 -17.655 -4.892 523 QB GLN 58 QB GLN 58 -2.357 -14.655 -4.579 524 QG GLN 58 QG GLN 58 -2.416 -16.372 -2.857 525 QE GLN 58 QE2 GLN 58 0.288 -17.124 -4.222 526 H GLY 59 H GLY 59 -0.602 -13.211 -3.130 527 1HA GLY 59 1HA GLY 59 0.826 -13.944 -1.097 528 2HA GLY 59 2HA GLY 59 -0.233 -12.842 -0.232 529 QA GLY 59 QA GLY 59 0.297 -13.393 -0.665 530 H VAL 60 H VAL 60 0.344 -11.637 -3.369 531 HA VAL 60 HA VAL 60 2.774 -10.372 -2.452 532 HB VAL 60 HB VAL 60 3.185 -9.662 -4.752 533 1HG1 VAL 60 3HG1 VAL 60 4.053 -11.802 -4.085 534 2HG1 VAL 60 2HG1 VAL 60 2.551 -12.592 -4.568 535 3HG1 VAL 60 1HG1 VAL 60 3.588 -11.842 -5.780 536 1HG2 VAL 60 2HG2 VAL 60 0.634 -11.119 -5.469 537 2HG2 VAL 60 1HG2 VAL 60 0.891 -9.380 -5.555 538 3HG2 VAL 60 3HG2 VAL 60 1.789 -10.453 -6.632 539 MG1 VAL 60 QG1 VAL 60 3.397 -12.079 -4.811 540 MG2 VAL 60 QG2 VAL 60 1.105 -10.317 -5.885 541 QG VAL 60 QQG VAL 60 2.251 -11.198 -5.348 542 H PHE 61 H PHE 61 2.765 -8.470 -1.670 543 HA PHE 61 HA PHE 61 0.446 -6.732 -1.922 544 1HB PHE 61 2HB PHE 61 2.642 -7.148 -0.189 545 2HB PHE 61 1HB PHE 61 2.643 -5.474 -0.726 546 HD1 PHE 61 1HD PHE 61 2.253 -6.800 2.003 547 HD2 PHE 61 2HD PHE 61 -0.434 -5.241 -0.897 548 HE1 PHE 61 1HE PHE 61 0.699 -6.286 3.764 549 HE2 PHE 61 2HE PHE 61 -2.027 -4.704 0.877 550 HZ PHE 61 HZ PHE 61 -1.445 -5.194 3.212 551 QB PHE 61 QB PHE 61 2.643 -6.311 -0.458 552 QD PHE 61 QD PHE 61 0.910 -6.021 0.553 553 QE PHE 61 QE PHE 61 -0.664 -5.495 2.320 554 QR PHE 61 QR PHE 61 -0.191 -5.645 1.792 555 H PHE 62 H PHE 62 0.445 -4.954 -3.326 556 HA PHE 62 HA PHE 62 3.016 -3.803 -3.937 557 1HB PHE 62 2HB PHE 62 2.445 -5.062 -5.980 558 2HB PHE 62 1HB PHE 62 0.880 -4.249 -6.053 559 HD1 PHE 62 1HD PHE 62 4.533 -3.751 -6.355 560 HD2 PHE 62 2HD PHE 62 0.674 -2.069 -7.018 561 HE1 PHE 62 1HE PHE 62 5.550 -1.928 -7.662 562 HE2 PHE 62 2HE PHE 62 1.692 -0.251 -8.337 563 HZ PHE 62 HZ PHE 62 4.128 -0.186 -8.659 564 QB PHE 62 QB PHE 62 1.662 -4.655 -6.017 565 QD PHE 62 QD PHE 62 2.604 -2.910 -6.687 566 QE PHE 62 QE PHE 62 3.621 -1.090 -7.999 567 QR PHE 62 QR PHE 62 3.316 -1.637 -7.606 568 H GLN 63 H GLN 63 2.985 -1.778 -3.328 569 HA GLN 63 HA GLN 63 0.500 -0.224 -3.435 570 1HB GLN 63 2HB GLN 63 0.505 -0.919 -1.152 571 2HB GLN 63 1HB GLN 63 2.237 -0.726 -1.021 572 1HG GLN 63 2HG GLN 63 1.347 1.078 0.218 573 2HG GLN 63 1HG GLN 63 1.866 1.759 -1.295 574 1HE2 GLN 63 1HE2 GLN 63 0.332 2.683 -2.670 575 2HE2 GLN 63 2HE2 GLN 63 -1.298 2.882 -2.178 576 QB GLN 63 QB GLN 63 1.371 -0.823 -1.086 577 QG GLN 63 QG GLN 63 1.606 1.418 -0.538 578 QE GLN 63 QE2 GLN 63 -0.483 2.783 -2.424 579 H TRP 64 H TRP 64 0.965 1.678 -4.388 580 HA TRP 64 HA TRP 64 3.547 2.703 -3.688 581 1HB TRP 64 2HB TRP 64 4.109 3.403 -5.842 582 2HB TRP 64 1HB TRP 64 3.428 1.777 -6.107 583 HD1 TRP 64 HD TRP 64 3.638 5.109 -7.351 584 HE1 TRP 64 1HE TRP 64 1.859 5.632 -9.010 585 HE3 TRP 64 3HE TRP 64 0.534 1.202 -6.355 586 HZ2 TRP 64 2HZ TRP 64 -0.648 4.546 -9.834 587 HZ3 TRP 64 3HZ TRP 64 -1.573 1.044 -7.609 588 HH2 TRP 64 HH TRP 64 -2.134 2.669 -9.326 589 QB TRP 64 QB TRP 64 3.768 2.590 -5.975 590 H LEU 65 H LEU 65 3.537 5.065 -3.712 591 HA LEU 65 HA LEU 65 0.844 6.173 -3.573 592 1HB LEU 65 2HB LEU 65 1.463 7.362 -1.492 593 2HB LEU 65 1HB LEU 65 1.267 5.636 -1.310 594 HG LEU 65 HG LEU 65 3.962 6.809 -1.723 595 1HD1 LEU 65 1HD1 LEU 65 2.404 6.572 0.850 596 2HD1 LEU 65 3HD1 LEU 65 4.144 6.847 0.790 597 3HD1 LEU 65 2HD1 LEU 65 3.048 8.057 0.127 598 1HD2 LEU 65 2HD2 LEU 65 2.991 4.358 -0.237 599 2HD2 LEU 65 1HD2 LEU 65 3.787 4.377 -1.811 600 3HD2 LEU 65 3HD2 LEU 65 4.679 4.859 -0.365 601 MD1 LEU 65 QD1 LEU 65 3.199 7.159 0.589 602 MD2 LEU 65 QD2 LEU 65 3.819 4.531 -0.804 603 QB LEU 65 QB LEU 65 1.365 6.499 -1.401 604 QD LEU 65 QQD LEU 65 3.509 5.845 -0.108 605 H GLU 66 H GLU 66 0.618 8.228 -4.134 606 HA GLU 66 HA GLU 66 2.971 9.595 -5.202 607 1HB GLU 66 2HB GLU 66 0.054 10.282 -5.465 608 2HB GLU 66 1HB GLU 66 1.389 10.947 -6.367 609 1HG GLU 66 2HG GLU 66 1.634 8.787 -7.524 610 2HG GLU 66 1HG GLU 66 0.220 8.188 -6.638 611 QB GLU 66 QB GLU 66 0.721 10.615 -5.916 612 QG GLU 66 QG GLU 66 0.927 8.488 -7.081 613 H GLY 67 H GLY 67 3.688 11.228 -3.866 614 1HA GLY 67 1HA GLY 67 2.633 11.947 -1.460 615 2HA GLY 67 2HA GLY 67 1.805 12.955 -2.654 616 QA GLY 67 QA GLY 67 2.219 12.451 -2.057 617 H HIS 68 H HIS 68 3.171 14.535 -1.106 618 HA HIS 68 HA HIS 68 5.470 15.472 -2.545 619 1HB HIS 68 2HB HIS 68 4.159 17.109 -1.381 620 2HB HIS 68 1HB HIS 68 4.253 16.269 0.133 621 HD1 HIS 68 1HD HIS 68 6.264 16.673 1.606 622 HD2 HIS 68 2HD HIS 68 6.197 18.484 -2.034 623 HE1 HIS 68 1HE HIS 68 8.198 18.150 1.741 624 HE2 HIS 68 2HE HIS 68 8.028 19.571 -0.363 625 QB HIS 68 QB HIS 68 4.206 16.689 -0.624 626 HA PRO 69 HA PRO 69 8.664 12.570 -1.413 627 1HB PRO 69 2HB PRO 69 10.463 14.597 -0.473 628 2HB PRO 69 1HB PRO 69 10.531 13.675 -1.973 629 1HG PRO 69 2HG PRO 69 9.430 16.369 -1.471 630 2HG PRO 69 1HG PRO 69 10.011 15.659 -2.987 631 1HD PRO 69 2HD PRO 69 7.425 16.120 -2.566 632 2HD PRO 69 1HD PRO 69 7.938 14.658 -3.426 633 QB PRO 69 QB PRO 69 10.497 14.136 -1.223 634 QG PRO 69 QG PRO 69 9.720 16.014 -2.229 635 QD PRO 69 QD PRO 69 7.681 15.389 -2.996 636 H ALA 70 H ALA 70 8.674 15.137 1.055 637 HA ALA 70 HA ALA 70 9.568 13.251 2.961 638 1HB ALA 70 3HB ALA 70 10.190 15.528 3.238 639 2HB ALA 70 1HB ALA 70 9.219 14.980 4.609 640 3HB ALA 70 2HB ALA 70 8.480 16.002 3.336 641 MB ALA 70 QB ALA 70 9.297 15.503 3.728 642 H ALA 71 H ALA 71 6.484 14.160 2.038 643 HA ALA 71 HA ALA 71 5.124 13.233 4.315 644 1HB ALA 71 2HB ALA 71 4.390 13.252 1.460 645 2HB ALA 71 1HB ALA 71 3.215 13.012 2.746 646 3HB ALA 71 3HB ALA 71 4.063 14.588 2.593 647 MB ALA 71 QB ALA 71 3.889 13.618 2.266 648 H VAL 72 H VAL 72 6.080 11.958 1.251 649 HA VAL 72 HA VAL 72 5.083 9.315 1.388 650 HB VAL 72 HB VAL 72 7.688 9.862 0.042 651 1HG1 VAL 72 3HG1 VAL 72 6.622 7.731 -0.183 652 2HG1 VAL 72 2HG1 VAL 72 5.192 8.586 -0.812 653 3HG1 VAL 72 1HG1 VAL 72 6.718 8.614 -1.742 654 1HG2 VAL 72 2HG2 VAL 72 5.113 11.028 -0.920 655 2HG2 VAL 72 1HG2 VAL 72 6.595 11.875 -0.405 656 3HG2 VAL 72 3HG2 VAL 72 6.604 10.896 -1.876 657 MG1 VAL 72 QG1 VAL 72 6.177 8.310 -0.912 658 MG2 VAL 72 QG2 VAL 72 6.104 11.266 -1.067 659 QG VAL 72 QQG VAL 72 6.141 9.788 -0.990 660 H ALA 73 H ALA 73 8.120 10.826 2.315 661 HA ALA 73 HA ALA 73 9.310 8.430 3.172 662 1HB ALA 73 1HB ALA 73 10.012 11.214 3.951 663 2HB ALA 73 3HB ALA 73 10.896 9.689 4.253 664 3HB ALA 73 2HB ALA 73 10.664 10.239 2.572 665 MB ALA 73 QB ALA 73 10.524 10.381 3.592 666 H GLU 74 H GLU 74 7.534 10.912 4.904 667 HA GLU 74 HA GLU 74 7.894 9.854 7.517 668 1HB GLU 74 2HB GLU 74 6.843 12.114 6.846 669 2HB GLU 74 1HB GLU 74 5.391 11.218 6.454 670 1HG GLU 74 2HG GLU 74 6.605 11.188 9.203 671 2HG GLU 74 1HG GLU 74 5.484 12.431 8.701 672 QB GLU 74 QB GLU 74 6.117 11.666 6.650 673 QG GLU 74 QG GLU 74 6.045 11.809 8.952 674 H VAL 75 H VAL 75 5.533 9.272 5.006 675 HA VAL 75 HA VAL 75 4.197 7.156 6.184 676 HB VAL 75 HB VAL 75 4.749 7.810 3.280 677 1HG1 VAL 75 1HG1 VAL 75 4.437 5.436 3.514 678 2HG1 VAL 75 3HG1 VAL 75 2.891 5.689 4.350 679 3HG1 VAL 75 2HG1 VAL 75 3.103 6.209 2.661 680 1HG2 VAL 75 2HG2 VAL 75 3.311 9.367 4.466 681 2HG2 VAL 75 1HG2 VAL 75 2.390 8.455 3.270 682 3HG2 VAL 75 3HG2 VAL 75 2.272 8.035 4.977 683 MG1 VAL 75 QG1 VAL 75 3.477 5.778 3.508 684 MG2 VAL 75 QG2 VAL 75 2.657 8.619 4.238 685 QG VAL 75 QQG VAL 75 3.067 7.198 3.873 686 H MET 76 H MET 76 7.099 7.011 3.944 687 HA MET 76 HA MET 76 7.644 4.372 4.117 688 1HB MET 76 2HB MET 76 9.622 6.651 4.119 689 2HB MET 76 1HB MET 76 10.020 4.993 3.793 690 1HG MET 76 2HG MET 76 7.990 6.352 2.227 691 2HG MET 76 1HG MET 76 9.691 6.638 1.801 692 1HE MET 76 3HE MET 76 6.628 4.598 1.930 693 2HE MET 76 2HE MET 76 6.916 3.094 1.025 694 3HE MET 76 1HE MET 76 7.530 3.289 2.682 695 QB MET 76 QB MET 76 9.821 5.822 3.956 696 QG MET 76 QG MET 76 8.840 6.495 2.014 697 ME MET 76 QE MET 76 7.025 3.660 1.879 698 H SER 77 H SER 77 8.750 6.851 6.395 699 HA SER 77 HA SER 77 10.197 5.183 8.090 700 1HB SER 77 2HB SER 77 8.561 7.606 8.862 701 2HB SER 77 1HB SER 77 9.903 6.922 9.784 702 HG SER 77 HG SER 77 10.003 8.124 7.206 703 QB SER 77 QB SER 77 9.232 7.264 9.323 704 H HIS 78 H HIS 78 6.750 5.946 8.233 705 HA HIS 78 HA HIS 78 6.335 4.151 10.403 706 1HB HIS 78 2HB HIS 78 4.516 5.610 8.558 707 2HB HIS 78 1HB HIS 78 3.862 4.174 9.334 708 HD1 HIS 78 1HD HIS 78 4.311 7.796 9.956 709 HD2 HIS 78 2HD HIS 78 4.115 4.314 12.268 710 HE1 HIS 78 1HE HIS 78 3.753 8.519 12.225 711 HE2 HIS 78 2HE HIS 78 3.414 6.417 13.549 712 QB HIS 78 QB HIS 78 4.189 4.892 8.946 713 H ILE 79 H ILE 79 5.878 3.766 6.961 714 HA ILE 79 HA ILE 79 4.854 1.197 6.930 715 HB ILE 79 HB ILE 79 6.008 3.078 5.015 716 1HG1 ILE 79 2HG1 ILE 79 3.511 1.403 5.047 717 2HG1 ILE 79 1HG1 ILE 79 3.667 3.122 5.387 718 1HG2 ILE 79 3HG2 ILE 79 6.093 0.212 4.436 719 2HG2 ILE 79 2HG2 ILE 79 5.844 1.378 3.124 720 3HG2 ILE 79 1HG2 ILE 79 7.293 1.443 4.150 721 1HD1 ILE 79 2HD1 ILE 79 4.342 3.464 3.043 722 2HD1 ILE 79 1HD1 ILE 79 4.056 1.753 2.754 723 3HD1 ILE 79 3HD1 ILE 79 2.705 2.807 3.203 724 MG ILE 79 QG2 ILE 79 6.410 1.011 3.903 725 MD ILE 79 QD1 ILE 79 3.701 2.675 3.000 726 QG ILE 79 QG1 ILE 79 3.589 2.263 5.217 727 H GLN 80 H GLN 80 8.266 2.091 6.371 728 HA GLN 80 HA GLN 80 9.264 -0.451 6.104 729 1HB GLN 80 2HB GLN 80 10.520 2.117 7.019 730 2HB GLN 80 1HB GLN 80 11.414 0.671 6.549 731 1HG GLN 80 2HG GLN 80 9.545 2.212 4.678 732 2HG GLN 80 1HG GLN 80 11.256 2.277 4.664 733 1HE2 GLN 80 1HE2 GLN 80 8.638 0.268 4.113 734 2HE2 GLN 80 2HE2 GLN 80 9.594 -0.845 3.186 735 QB GLN 80 QB GLN 80 10.967 1.394 6.784 736 QG GLN 80 QG GLN 80 10.400 2.244 4.671 737 QE GLN 80 QE2 GLN 80 9.116 -0.288 3.650 738 H ARG 81 H ARG 81 8.201 1.170 8.921 739 HA ARG 81 HA ARG 81 9.600 -0.779 10.600 740 1HB ARG 81 2HB ARG 81 8.455 1.927 11.270 741 2HB ARG 81 1HB ARG 81 9.294 0.841 12.380 742 1HG ARG 81 2HG ARG 81 11.300 1.032 11.218 743 2HG ARG 81 1HG ARG 81 10.551 1.919 9.892 744 1HD ARG 81 2HD ARG 81 10.018 3.717 11.525 745 2HD ARG 81 1HD ARG 81 10.949 2.826 12.737 746 HE ARG 81 HE ARG 81 12.457 3.170 10.401 747 1HH1 ARG 81 1HH1 ARG 81 11.226 5.075 13.120 748 2HH1 ARG 81 2HH1 ARG 81 12.544 6.148 13.142 749 1HH2 ARG 81 1HH2 ARG 81 14.256 4.665 10.425 750 2HH2 ARG 81 2HH2 ARG 81 14.288 5.912 11.571 751 QB ARG 81 QB ARG 81 8.874 1.384 11.825 752 QG ARG 81 QG ARG 81 10.926 1.476 10.555 753 QD ARG 81 QD ARG 81 10.484 3.272 12.131 754 QH1 ARG 81 QH1 ARG 81 11.885 5.612 13.131 755 QH2 ARG 81 QH2 ARG 81 14.272 5.289 10.998 756 H ASP 82 H ASP 82 7.023 -1.152 9.079 757 HA ASP 82 HA ASP 82 5.028 -1.120 11.162 758 1HB ASP 82 2HB ASP 82 4.817 -2.114 8.333 759 2HB ASP 82 1HB ASP 82 3.545 -2.387 9.492 760 QB ASP 82 QB ASP 82 4.181 -2.251 8.913 761 H ARG 83 H ARG 83 5.017 -3.843 9.063 762 HA ARG 83 HA ARG 83 5.627 -6.110 10.298 763 1HB ARG 83 2HB ARG 83 3.672 -6.659 11.876 764 2HB ARG 83 1HB ARG 83 4.817 -5.495 12.526 765 1HG ARG 83 2HG ARG 83 3.299 -3.665 12.055 766 2HG ARG 83 1HG ARG 83 2.205 -4.743 11.206 767 1HD ARG 83 2HD ARG 83 1.392 -5.665 13.157 768 2HD ARG 83 1HD ARG 83 2.871 -5.284 14.051 769 HE ARG 83 HE ARG 83 2.169 -3.133 14.357 770 1HH1 ARG 83 1HH1 ARG 83 -0.445 -4.806 12.466 771 2HH1 ARG 83 2HH1 ARG 83 -1.580 -3.663 12.909 772 1HH2 ARG 83 1HH2 ARG 83 0.536 -1.621 14.871 773 2HH2 ARG 83 2HH2 ARG 83 -1.064 -1.824 14.316 774 QB ARG 83 QB ARG 83 4.245 -6.077 12.201 775 QG ARG 83 QG ARG 83 2.752 -4.204 11.630 776 QD ARG 83 QD ARG 83 2.131 -5.475 13.604 777 QH1 ARG 83 QH1 ARG 83 -1.013 -4.235 12.687 778 QH2 ARG 83 QH2 ARG 83 -0.264 -1.722 14.593 779 H ARG 84 H ARG 84 3.067 -4.148 9.187 780 HA ARG 84 HA ARG 84 1.054 -6.065 8.565 781 1HB ARG 84 2HB ARG 84 1.395 -3.291 7.531 782 2HB ARG 84 1HB ARG 84 -0.074 -4.246 7.604 783 1HG ARG 84 2HG ARG 84 -0.012 -4.146 10.041 784 2HG ARG 84 1HG ARG 84 1.456 -3.154 9.949 785 1HD ARG 84 2HD ARG 84 0.300 -1.476 8.705 786 2HD ARG 84 1HD ARG 84 -1.139 -2.483 8.621 787 HE ARG 84 HE ARG 84 -0.094 -1.062 10.925 788 1HH1 ARG 84 1HH1 ARG 84 -2.526 -3.352 9.813 789 2HH1 ARG 84 2HH1 ARG 84 -3.840 -2.620 10.605 790 1HH2 ARG 84 1HH2 ARG 84 -1.959 -0.040 12.099 791 2HH2 ARG 84 2HH2 ARG 84 -3.527 -0.683 11.883 792 QB ARG 84 QB ARG 84 0.660 -3.769 7.567 793 QG ARG 84 QG ARG 84 0.722 -3.650 9.995 794 QD ARG 84 QD ARG 84 -0.419 -1.979 8.663 795 QH1 ARG 84 QH1 ARG 84 -3.183 -2.986 10.209 796 QH2 ARG 84 QH2 ARG 84 -2.743 -0.362 11.991 797 H HIS 85 H HIS 85 3.742 -6.235 7.119 798 HA HIS 85 HA HIS 85 3.060 -7.083 4.650 799 1HB HIS 85 2HB HIS 85 4.224 -5.215 3.243 800 2HB HIS 85 1HB HIS 85 2.553 -4.983 3.688 801 HD1 HIS 85 1HD HIS 85 3.438 -2.397 3.015 802 HD2 HIS 85 2HD HIS 85 4.664 -3.952 6.658 803 HE1 HIS 85 1HE HIS 85 4.339 -0.533 4.310 804 HE2 HIS 85 2HE HIS 85 4.376 -1.404 6.607 805 QB HIS 85 QB HIS 85 3.389 -5.099 3.466 806 H SER 86 H SER 86 4.445 -8.431 4.339 807 HA SER 86 HA SER 86 6.342 -8.884 6.129 808 1HB SER 86 2HB SER 86 5.463 -9.947 3.812 809 2HB SER 86 1HB SER 86 7.040 -10.695 4.255 810 HG SER 86 HG SER 86 5.817 -11.777 5.587 811 QB SER 86 QB SER 86 6.252 -10.321 4.034 812 H ASN 87 H ASN 87 6.949 -7.137 3.443 813 HA ASN 87 HA ASN 87 9.757 -7.122 4.178 814 1HB ASN 87 2HB ASN 87 9.057 -7.388 1.259 815 2HB ASN 87 1HB ASN 87 10.665 -7.095 1.881 816 1HD2 ASN 87 1HD2 ASN 87 9.844 -9.130 0.130 817 2HD2 ASN 87 2HD2 ASN 87 10.140 -10.644 0.931 818 QB ASN 87 QB ASN 87 9.861 -7.242 1.570 819 QD ASN 87 QD2 ASN 87 9.992 -9.887 0.531 820 H VAL 88 H VAL 88 7.413 -5.614 2.562 821 HA VAL 88 HA VAL 88 7.430 -3.937 1.284 822 HB VAL 88 HB VAL 88 6.274 -3.296 3.108 823 1HG1 VAL 88 1HG1 VAL 88 7.791 -3.624 4.782 824 2HG1 VAL 88 3HG1 VAL 88 8.594 -2.019 4.446 825 3HG1 VAL 88 2HG1 VAL 88 6.848 -2.091 4.853 826 1HG2 VAL 88 2HG2 VAL 88 6.707 -1.574 1.340 827 2HG2 VAL 88 1HG2 VAL 88 6.177 -0.948 2.912 828 3HG2 VAL 88 3HG2 VAL 88 7.861 -0.853 2.469 829 MG1 VAL 88 QG1 VAL 88 7.744 -2.578 4.694 830 MG2 VAL 88 QG2 VAL 88 6.915 -1.125 2.240 831 QG VAL 88 QQG VAL 88 7.330 -1.851 3.467 832 H GLU 89 H GLU 89 8.908 -4.569 0.076 833 HA GLU 89 HA GLU 89 11.411 -3.162 -0.006 834 1HB GLU 89 2HB GLU 89 10.056 -5.147 -1.793 835 2HB GLU 89 1HB GLU 89 11.674 -4.539 -2.090 836 1HG GLU 89 2HG GLU 89 12.558 -5.627 -0.306 837 2HG GLU 89 1HG GLU 89 10.984 -5.715 0.479 838 QB GLU 89 QB GLU 89 10.865 -4.843 -1.942 839 QG GLU 89 QG GLU 89 11.771 -5.671 0.086 840 H ILE 90 H ILE 90 10.481 -1.164 -0.133 841 HA ILE 90 HA ILE 90 9.030 0.081 -2.172 842 HB ILE 90 HB ILE 90 11.655 1.220 -1.381 843 1HG1 ILE 90 2HG1 ILE 90 10.944 0.310 0.729 844 2HG1 ILE 90 1HG1 ILE 90 10.762 2.048 0.778 845 1HG2 ILE 90 1HG2 ILE 90 8.871 2.390 -1.591 846 2HG2 ILE 90 3HG2 ILE 90 10.253 3.309 -1.074 847 3HG2 ILE 90 2HG2 ILE 90 10.199 2.698 -2.731 848 1HD1 ILE 90 1HD1 ILE 90 8.402 1.808 0.315 849 2HD1 ILE 90 3HD1 ILE 90 8.589 0.054 0.314 850 3HD1 ILE 90 2HD1 ILE 90 8.882 0.968 1.803 851 MG ILE 90 QG2 ILE 90 9.774 2.799 -1.799 852 MD ILE 90 QD1 ILE 90 8.624 0.943 0.811 853 QG ILE 90 QG1 ILE 90 10.853 1.179 0.754 854 H LEU 91 H LEU 91 12.377 0.004 -2.289 855 HA LEU 91 HA LEU 91 13.912 -0.428 -3.873 856 1HB LEU 91 2HB LEU 91 11.738 -2.094 -5.119 857 2HB LEU 91 1HB LEU 91 13.411 -2.108 -5.630 858 HG LEU 91 HG LEU 91 12.399 -3.009 -2.907 859 1HD1 LEU 91 1HD1 LEU 91 13.431 -4.560 -5.276 860 2HD1 LEU 91 3HD1 LEU 91 13.030 -5.231 -3.697 861 3HD1 LEU 91 2HD1 LEU 91 11.766 -4.521 -4.704 862 1HD2 LEU 91 1HD2 LEU 91 15.166 -3.085 -4.126 863 2HD2 LEU 91 3HD2 LEU 91 14.652 -2.083 -2.764 864 3HD2 LEU 91 2HD2 LEU 91 14.681 -3.837 -2.608 865 MD1 LEU 91 QD1 LEU 91 12.742 -4.771 -4.559 866 MD2 LEU 91 QD2 LEU 91 14.833 -3.002 -3.166 867 QB LEU 91 QB LEU 91 12.574 -2.101 -5.375 868 QD LEU 91 QQD LEU 91 13.788 -3.886 -3.862 869 H ALA 92 H ALA 92 10.962 1.032 -4.817 870 HA ALA 92 HA ALA 92 12.343 2.359 -7.053 871 1HB ALA 92 2HB ALA 92 10.820 0.833 -8.103 872 2HB ALA 92 3HB ALA 92 10.120 2.464 -8.171 873 3HB ALA 92 1HB ALA 92 9.531 1.319 -6.978 874 MB ALA 92 QB ALA 92 10.157 1.539 -7.751 875 H GLU 93 H GLU 93 12.492 4.413 -6.602 876 HA GLU 93 HA GLU 93 10.247 5.779 -5.329 877 1HB GLU 93 2HB GLU 93 13.167 6.251 -4.577 878 2HB GLU 93 1HB GLU 93 11.719 6.981 -3.877 879 1HG GLU 93 2HG GLU 93 11.027 5.070 -2.894 880 2HG GLU 93 1HG GLU 93 12.220 4.080 -3.752 881 QB GLU 93 QB GLU 93 12.443 6.616 -4.227 882 QG GLU 93 QG GLU 93 11.623 4.575 -3.323 883 H GLU 94 H GLU 94 9.642 7.141 -6.827 884 HA GLU 94 HA GLU 94 11.694 8.463 -8.464 885 1HB GLU 94 2HB GLU 94 10.069 8.277 -10.366 886 2HB GLU 94 1HB GLU 94 10.765 6.753 -9.824 887 1HG GLU 94 2HG GLU 94 8.723 6.307 -8.526 888 2HG GLU 94 1HG GLU 94 8.016 7.794 -9.161 889 QB GLU 94 QB GLU 94 10.417 7.515 -10.095 890 QG GLU 94 QG GLU 94 8.370 7.051 -8.843 891 H SER 95 H SER 95 11.295 10.580 -9.051 892 HA SER 95 HA SER 95 9.404 12.054 -7.444 893 1HB SER 95 2HB SER 95 11.240 12.990 -9.655 894 2HB SER 95 1HB SER 95 10.432 13.995 -8.442 895 HG SER 95 HG SER 95 12.575 12.228 -8.180 896 QB SER 95 QB SER 95 10.836 13.492 -9.048 897 H ILE 96 H ILE 96 7.499 12.765 -8.041 898 HA ILE 96 HA ILE 96 6.655 12.293 -10.856 899 HB ILE 96 HB ILE 96 4.504 11.736 -10.111 900 1HG1 ILE 96 2HG1 ILE 96 5.613 11.154 -7.404 901 2HG1 ILE 96 1HG1 ILE 96 5.003 12.760 -7.764 902 1HG2 ILE 96 2HG2 ILE 96 6.091 10.026 -10.791 903 2HG2 ILE 96 1HG2 ILE 96 6.720 9.914 -9.151 904 3HG2 ILE 96 3HG2 ILE 96 5.067 9.383 -9.496 905 1HD1 ILE 96 1HD1 ILE 96 3.412 10.245 -8.023 906 2HD1 ILE 96 3HD1 ILE 96 3.466 11.300 -6.614 907 3HD1 ILE 96 2HD1 ILE 96 2.860 11.941 -8.122 908 MG ILE 96 QG2 ILE 96 5.959 9.775 -9.813 909 MD ILE 96 QD1 ILE 96 3.246 11.162 -7.586 910 QG ILE 96 QG1 ILE 96 5.308 11.957 -7.584 911 H ALA 97 H ALA 97 4.446 13.178 -11.291 912 HA ALA 97 HA ALA 97 4.292 15.889 -10.220 913 1HB ALA 97 2HB ALA 97 4.581 15.724 -12.639 914 2HB ALA 97 3HB ALA 97 2.995 16.428 -12.155 915 3HB ALA 97 1HB ALA 97 3.086 14.743 -12.653 916 MB ALA 97 QB ALA 97 3.554 15.632 -12.482 917 H LYS 98 H LYS 98 3.165 13.160 -9.786 918 HA LYS 98 HA LYS 98 1.282 12.102 -8.999 919 1HB LYS 98 2HB LYS 98 2.125 13.794 -7.461 920 2HB LYS 98 1HB LYS 98 0.829 14.827 -8.001 921 1HG LYS 98 2HG LYS 98 -0.115 12.256 -7.265 922 2HG LYS 98 1HG LYS 98 0.982 12.946 -6.107 923 1HD LYS 98 2HD LYS 98 -0.825 14.970 -6.860 924 2HD LYS 98 1HD LYS 98 -1.682 13.563 -6.175 925 1HE LYS 98 2HE LYS 98 -0.055 13.456 -4.503 926 2HE LYS 98 1HE LYS 98 0.683 14.941 -5.132 927 1HZ LYS 98 2HZ LYS 98 -2.170 14.880 -4.213 928 2HZ LYS 98 1HZ LYS 98 -0.944 15.299 -3.151 929 3HZ LYS 98 3HZ LYS 98 -1.218 16.229 -4.522 930 QB LYS 98 QB LYS 98 1.477 14.311 -7.731 931 QD LYS 98 QD LYS 98 -1.253 14.266 -6.517 932 QG LYS 98 QG LYS 98 0.433 12.601 -6.686 933 QE LYS 98 QE LYS 98 0.314 14.199 -4.818 934 QZ LYS 98 QZ LYS 98 -1.444 15.469 -3.962 935 H ARG 99 H ARG 99 -1.138 12.966 -8.527 936 HA ARG 99 HA ARG 99 -3.178 13.625 -9.280 937 1HB ARG 99 2HB ARG 99 -1.660 14.843 -11.602 938 2HB ARG 99 1HB ARG 99 -3.394 15.064 -11.344 939 1HG ARG 99 2HG ARG 99 -1.139 16.018 -9.580 940 2HG ARG 99 1HG ARG 99 -2.128 17.012 -10.644 941 1HD ARG 99 2HD ARG 99 -4.106 16.438 -9.307 942 2HD ARG 99 1HD ARG 99 -3.092 15.474 -8.232 943 HE ARG 99 HE ARG 99 -2.102 18.106 -8.461 944 1HH1 ARG 99 1HH1 ARG 99 -4.666 16.280 -6.860 945 2HH1 ARG 99 2HH1 ARG 99 -4.851 17.394 -5.585 946 1HH2 ARG 99 1HH2 ARG 99 -2.364 19.611 -6.690 947 2HH2 ARG 99 2HH2 ARG 99 -3.531 19.302 -5.492 948 QB ARG 99 QB ARG 99 -2.527 14.953 -11.473 949 QG ARG 99 QG ARG 99 -1.634 16.515 -10.112 950 QD ARG 99 QD ARG 99 -3.599 15.956 -8.770 951 QH1 ARG 99 QH1 ARG 99 -4.759 16.837 -6.223 952 QH2 ARG 99 QH2 ARG 99 -2.947 19.456 -6.091 953 H ARG 100 H ARG 100 -1.859 11.151 -9.793 954 HA ARG 100 HA ARG 100 -3.234 10.352 -12.231 955 1HB ARG 100 2HB ARG 100 -1.246 8.890 -10.526 956 2HB ARG 100 1HB ARG 100 -1.892 8.329 -12.065 957 1HG ARG 100 2HG ARG 100 -0.855 10.230 -13.183 958 2HG ARG 100 1HG ARG 100 -0.241 10.780 -11.613 959 1HD ARG 100 2HD ARG 100 1.504 9.540 -12.848 960 2HD ARG 100 1HD ARG 100 1.007 8.653 -11.404 961 HE ARG 100 HE ARG 100 -0.205 8.038 -13.994 962 1HH1 ARG 100 1HH1 ARG 100 1.837 6.975 -11.294 963 2HH1 ARG 100 2HH1 ARG 100 1.830 5.340 -11.767 964 1HH2 ARG 100 1HH2 ARG 100 -0.152 5.787 -14.646 965 2HH2 ARG 100 2HH2 ARG 100 0.697 4.641 -13.720 966 QB ARG 100 QB ARG 100 -1.569 8.610 -11.295 967 QG ARG 100 QG ARG 100 -0.548 10.505 -12.398 968 QD ARG 100 QD ARG 100 1.256 9.097 -12.126 969 QH1 ARG 100 QH1 ARG 100 1.833 6.157 -11.530 970 QH2 ARG 100 QH2 ARG 100 0.272 5.214 -14.183 971 H PHE 101 H PHE 101 -2.768 9.323 -8.828 972 HA PHE 101 HA PHE 101 -5.368 8.054 -9.090 973 1HB PHE 101 2HB PHE 101 -2.960 7.044 -7.567 974 2HB PHE 101 1HB PHE 101 -4.575 6.394 -7.329 975 HD1 PHE 101 1HD PHE 101 -5.321 4.638 -8.667 976 HD2 PHE 101 2HD PHE 101 -2.042 6.987 -10.011 977 HE1 PHE 101 1HE PHE 101 -5.001 3.109 -10.551 978 HE2 PHE 101 2HE PHE 101 -1.724 5.461 -11.909 979 HZ PHE 101 HZ PHE 101 -3.206 3.518 -12.185 980 QB PHE 101 QB PHE 101 -3.768 6.719 -7.448 981 QD PHE 101 QD PHE 101 -3.682 5.813 -9.339 982 QE PHE 101 QE PHE 101 -3.362 4.285 -11.230 983 QR PHE 101 QR PHE 101 -3.459 4.742 -10.665 984 H ALA 102 H ALA 102 -5.983 10.089 -8.558 985 HA ALA 102 HA ALA 102 -5.563 11.811 -6.492 986 1HB ALA 102 2HB ALA 102 -6.846 12.296 -8.502 987 2HB ALA 102 3HB ALA 102 -7.678 12.808 -7.032 988 3HB ALA 102 1HB ALA 102 -8.186 11.343 -7.869 989 MB ALA 102 QB ALA 102 -7.570 12.149 -7.801 990 H GLY 103 H GLY 103 -7.065 8.873 -6.181 991 1HA GLY 103 1HA GLY 103 -8.900 8.687 -4.396 992 2HA GLY 103 2HA GLY 103 -7.666 9.511 -3.426 993 QA GLY 103 QA GLY 103 -8.283 9.099 -3.911 994 H TRP 104 H TRP 104 -6.489 8.094 -2.300 995 HA TRP 104 HA TRP 104 -5.187 6.014 -3.622 996 1HB TRP 104 2HB TRP 104 -4.006 6.711 -1.766 997 2HB TRP 104 1HB TRP 104 -5.399 6.763 -0.727 998 HD1 TRP 104 HD TRP 104 -2.505 4.520 -1.691 999 HE1 TRP 104 1HE TRP 104 -2.663 2.351 -0.299 1000 HE3 TRP 104 3HE TRP 104 -7.182 5.116 0.276 1001 HZ2 TRP 104 2HZ TRP 104 -4.574 1.115 1.386 1002 HZ3 TRP 104 3HZ TRP 104 -8.061 3.583 1.636 1003 HH2 TRP 104 HH TRP 104 -6.906 1.599 2.233 1004 QB TRP 104 QB TRP 104 -4.703 6.737 -1.246 1005 H HIS 105 H HIS 105 -5.526 3.989 -3.985 1006 HA HIS 105 HA HIS 105 -8.221 2.984 -3.415 1007 1HB HIS 105 2HB HIS 105 -6.195 2.521 -5.518 1008 2HB HIS 105 1HB HIS 105 -7.650 1.494 -5.428 1009 HD1 HIS 105 1HD HIS 105 -9.981 3.057 -5.807 1010 HD2 HIS 105 2HD HIS 105 -6.354 4.713 -6.972 1011 HE1 HIS 105 1HE HIS 105 -10.559 4.932 -7.322 1012 HE2 HIS 105 2HE HIS 105 -8.382 6.086 -7.747 1013 QB HIS 105 QB HIS 105 -6.923 2.008 -5.473 1014 H MET 106 H MET 106 -8.415 0.746 -2.830 1015 HA MET 106 HA MET 106 -5.942 -0.581 -1.976 1016 1HB MET 106 2HB MET 106 -7.375 0.621 -0.098 1017 2HB MET 106 1HB MET 106 -8.481 -0.711 -0.354 1018 1HG MET 106 2HG MET 106 -5.607 -0.954 0.551 1019 2HG MET 106 1HG MET 106 -7.010 -1.027 1.594 1020 1HE MET 106 2HE MET 106 -4.738 -3.193 1.700 1021 2HE MET 106 1HE MET 106 -6.208 -3.314 2.677 1022 3HE MET 106 3HE MET 106 -5.653 -4.695 1.719 1023 QB MET 106 QB MET 106 -7.928 -0.045 -0.226 1024 QG MET 106 QG MET 106 -6.309 -0.991 1.072 1025 ME MET 106 QE MET 106 -5.533 -3.734 2.032 1026 H GLN 107 H GLN 107 -6.045 -2.786 -2.398 1027 HA GLN 107 HA GLN 107 -7.697 -3.803 -4.371 1028 1HB GLN 107 2HB GLN 107 -5.596 -4.864 -3.658 1029 2HB GLN 107 1HB GLN 107 -6.356 -5.344 -2.148 1030 1HG GLN 107 2HG GLN 107 -6.265 -7.235 -3.624 1031 2HG GLN 107 1HG GLN 107 -7.942 -6.742 -3.418 1032 1HE2 GLN 107 1HE2 GLN 107 -9.050 -5.840 -5.188 1033 2HE2 GLN 107 2HE2 GLN 107 -8.435 -5.978 -6.791 1034 QB GLN 107 QB GLN 107 -5.976 -5.104 -2.903 1035 QG GLN 107 QG GLN 107 -7.104 -6.988 -3.521 1036 QE GLN 107 QE2 GLN 107 -8.742 -5.909 -5.990 1037 H LEU 108 H LEU 108 -8.062 -4.055 -0.860 1038 HA LEU 108 HA LEU 108 -10.855 -4.721 -1.316 1039 1HB LEU 108 2HB LEU 108 -9.327 -6.592 -0.329 1040 2HB LEU 108 1HB LEU 108 -9.272 -5.609 1.112 1041 HG LEU 108 HG LEU 108 -10.845 -7.481 1.322 1042 1HD1 LEU 108 2HD1 LEU 108 -11.342 -5.506 2.623 1043 2HD1 LEU 108 1HD1 LEU 108 -12.282 -4.840 1.292 1044 3HD1 LEU 108 3HD1 LEU 108 -12.825 -6.311 2.105 1045 1HD2 LEU 108 3HD2 LEU 108 -11.482 -7.703 -1.016 1046 2HD2 LEU 108 2HD2 LEU 108 -12.905 -7.579 0.013 1047 3HD2 LEU 108 1HD2 LEU 108 -12.378 -6.187 -0.931 1048 MD1 LEU 108 QD1 LEU 108 -12.149 -5.552 2.006 1049 MD2 LEU 108 QD2 LEU 108 -12.255 -7.156 -0.645 1050 QB LEU 108 QB LEU 108 -9.300 -6.101 0.392 1051 QD LEU 108 QQD LEU 108 -12.202 -6.354 0.681 1052 H SER 109 H SER 109 -11.012 -2.448 -1.401 1053 HA SER 109 HA SER 109 -10.472 -0.858 0.934 1054 1HB SER 109 2HB SER 109 -10.376 0.010 -1.444 1055 2HB SER 109 1HB SER 109 -12.117 -0.217 -1.542 1056 HG SER 109 HG SER 109 -11.286 1.265 0.625 1057 QB SER 109 QB SER 109 -11.246 -0.104 -1.493 1058 H CYS 110 H CYS 110 -12.947 -2.705 -0.494 1059 HA CYS 110 HA CYS 110 -14.541 -2.920 1.793 1060 1HB CYS 110 2HB CYS 110 -16.621 -2.047 0.628 1061 2HB CYS 110 1HB CYS 110 -15.481 -0.791 1.089 1062 HG CYS 110 HG CYS 110 -16.245 -1.942 -2.012 1063 QB CYS 110 QB CYS 110 -16.051 -1.419 0.859 1064 H SER 111 H SER 111 -16.044 -4.725 1.342 1065 HA SER 111 HA SER 111 -15.070 -6.234 -0.918 1066 1HB SER 111 2HB SER 111 -16.437 -8.088 0.051 1067 2HB SER 111 1HB SER 111 -15.251 -7.443 1.180 1068 HG SER 111 HG SER 111 -16.790 -6.798 2.431 1069 QB SER 111 QB SER 111 -15.844 -7.766 0.615 1070 H GLU 112 H GLU 112 -16.538 -7.204 -2.444 1071 HA GLU 112 HA GLU 112 -18.360 -5.403 -3.533 1072 1HB GLU 112 2HB GLU 112 -18.045 -8.364 -4.006 1073 2HB GLU 112 1HB GLU 112 -19.052 -7.308 -4.988 1074 1HG GLU 112 2HG GLU 112 -17.125 -5.998 -5.608 1075 2HG GLU 112 1HG GLU 112 -16.101 -6.983 -4.574 1076 QB GLU 112 QB GLU 112 -18.548 -7.836 -4.497 1077 QG GLU 112 QG GLU 112 -16.613 -6.490 -5.091 1078 H ALA 113 H ALA 113 -18.885 -8.322 -1.629 1079 HA ALA 113 HA ALA 113 -20.550 -9.058 -0.309 1080 1HB ALA 113 3HB ALA 113 -20.207 -6.844 0.781 1081 2HB ALA 113 2HB ALA 113 -21.540 -6.218 -0.191 1082 3HB ALA 113 1HB ALA 113 -21.831 -7.503 0.979 1083 MB ALA 113 QB ALA 113 -21.193 -6.855 0.523 1084 H ASP 114 H ASP 114 -21.666 -7.357 -3.005 1085 HA ASP 114 HA ASP 114 -24.269 -8.588 -2.836 1086 1HB ASP 114 2HB ASP 114 -24.144 -6.488 -3.964 1087 2HB ASP 114 1HB ASP 114 -22.980 -7.112 -5.140 1088 QB ASP 114 QB ASP 114 -23.562 -6.800 -4.552 1089 H MET 115 H MET 115 -21.318 -9.223 -4.587 1090 HA MET 115 HA MET 115 -22.284 -11.323 -6.175 1091 1HB MET 115 2HB MET 115 -19.499 -10.873 -5.093 1092 2HB MET 115 1HB MET 115 -19.910 -12.110 -6.275 1093 1HG MET 115 2HG MET 115 -20.204 -9.137 -6.641 1094 2HG MET 115 1HG MET 115 -18.968 -10.167 -7.362 1095 1HE MET 115 1HE MET 115 -19.545 -9.241 -9.766 1096 2HE MET 115 3HE MET 115 -21.170 -9.224 -10.444 1097 3HE MET 115 2HE MET 115 -20.777 -8.185 -9.074 1098 QB MET 115 QB MET 115 -19.704 -11.492 -5.684 1099 QG MET 115 QG MET 115 -19.586 -9.652 -7.002 1100 ME MET 115 QE MET 115 -20.497 -8.883 -9.761 1101 H ARG 116 H ARG 116 -20.750 -11.361 -3.023 1102 HA ARG 116 HA ARG 116 -20.850 -12.688 -1.251 1103 1HB ARG 116 2HB ARG 116 -23.322 -13.792 -2.549 1104 2HB ARG 116 1HB ARG 116 -22.801 -14.117 -0.883 1105 1HG ARG 116 2HG ARG 116 -23.032 -11.761 -0.365 1106 2HG ARG 116 1HG ARG 116 -23.528 -11.437 -2.022 1107 1HD ARG 116 2HD ARG 116 -24.989 -13.206 -0.066 1108 2HD ARG 116 1HD ARG 116 -25.415 -11.546 -0.481 1109 HE ARG 116 HE ARG 116 -25.499 -12.615 -2.865 1110 1HH1 ARG 116 1HH1 ARG 116 -26.714 -14.029 0.173 1111 2HH1 ARG 116 2HH1 ARG 116 -28.038 -14.772 -0.533 1112 1HH2 ARG 116 1HH2 ARG 116 -27.355 -13.643 -3.833 1113 2HH2 ARG 116 2HH2 ARG 116 -28.445 -14.552 -2.890 1114 QB ARG 116 QB ARG 116 -23.061 -13.955 -1.716 1115 QG ARG 116 QG ARG 116 -23.280 -11.599 -1.194 1116 QD ARG 116 QD ARG 116 -25.202 -12.376 -0.273 1117 QH1 ARG 116 QH1 ARG 116 -27.376 -14.401 -0.180 1118 QH2 ARG 116 QH2 ARG 116 -27.900 -14.098 -3.361 1119 H SER 117 H SER 117 -21.341 -14.618 -4.191 1120 HA SER 117 HA SER 117 -20.650 -17.132 -3.249 1121 1HB SER 117 2HB SER 117 -20.214 -16.043 -6.026 1122 2HB SER 117 1HB SER 117 -20.494 -17.726 -5.564 1123 HG SER 117 HG SER 117 -22.580 -17.278 -5.087 1124 QB SER 117 QB SER 117 -20.354 -16.884 -5.795 1125 H LEU 118 H LEU 118 -18.576 -14.527 -3.512 1126 HA LEU 118 HA LEU 118 -16.135 -15.782 -4.183 1127 1HB LEU 118 2HB LEU 118 -16.647 -13.373 -2.440 1128 2HB LEU 118 1HB LEU 118 -15.086 -13.836 -3.085 1129 HG LEU 118 HG LEU 118 -17.473 -12.958 -4.722 1130 1HD1 LEU 118 2HD1 LEU 118 -14.906 -11.535 -4.052 1131 2HD1 LEU 118 1HD1 LEU 118 -16.151 -10.949 -5.154 1132 3HD1 LEU 118 3HD1 LEU 118 -16.506 -11.133 -3.437 1133 1HD2 LEU 118 1HD2 LEU 118 -14.641 -13.640 -5.532 1134 2HD2 LEU 118 3HD2 LEU 118 -16.108 -14.521 -5.980 1135 3HD2 LEU 118 2HD2 LEU 118 -15.841 -12.882 -6.571 1136 MD1 LEU 118 QD1 LEU 118 -15.854 -11.206 -4.214 1137 MD2 LEU 118 QD2 LEU 118 -15.530 -13.681 -6.028 1138 QB LEU 118 QB LEU 118 -15.867 -13.605 -2.762 1139 QD LEU 118 QQD LEU 118 -15.692 -12.443 -5.121 1140 H GLY 119 H GLY 119 -18.064 -15.740 -1.288 1141 1HA GLY 119 1HA GLY 119 -16.195 -16.125 0.711 1142 2HA GLY 119 2HA GLY 119 -16.416 -17.696 -0.040 1143 QA GLY 119 QA GLY 119 -16.305 -16.911 0.335 1144 H LEU 120 H LEU 120 -18.728 -15.117 0.593 1145 HA LEU 120 HA LEU 120 -19.984 -16.234 2.868 1146 1HB LEU 120 2HB LEU 120 -20.083 -13.813 1.856 1147 2HB LEU 120 1HB LEU 120 -21.327 -14.508 0.831 1148 HG LEU 120 HG LEU 120 -21.564 -14.424 3.847 1149 1HD1 LEU 120 1HD1 LEU 120 -22.604 -12.464 1.807 1150 2HD1 LEU 120 3HD1 LEU 120 -23.016 -12.477 3.520 1151 3HD1 LEU 120 2HD1 LEU 120 -21.357 -12.156 3.020 1152 1HD2 LEU 120 3HD2 LEU 120 -23.028 -16.043 2.683 1153 2HD2 LEU 120 2HD2 LEU 120 -23.946 -14.728 3.416 1154 3HD2 LEU 120 1HD2 LEU 120 -23.644 -14.732 1.678 1155 MD1 LEU 120 QD1 LEU 120 -22.326 -12.366 2.782 1156 MD2 LEU 120 QD2 LEU 120 -23.539 -15.168 2.592 1157 QB LEU 120 QB LEU 120 -20.705 -14.160 1.343 1158 QD LEU 120 QQD LEU 120 -22.933 -13.767 2.687 1159 H ALA 121 H ALA 121 -20.956 -16.166 -0.552 1160 HA ALA 121 HA ALA 121 -22.939 -18.137 0.026 1161 1HB ALA 121 2HB ALA 121 -23.834 -17.719 -2.241 1162 2HB ALA 121 3HB ALA 121 -22.484 -16.632 -2.563 1163 3HB ALA 121 1HB ALA 121 -23.663 -16.229 -1.318 1164 MB ALA 121 QB ALA 121 -23.327 -16.860 -2.040 1165 H GLU 122 H GLU 122 -20.341 -18.784 0.165 1166 HA GLU 122 HA GLU 122 -20.064 -20.907 -1.840 1167 1HB GLU 122 2HB GLU 122 -18.212 -19.308 -2.137 1168 2HB GLU 122 1HB GLU 122 -17.871 -19.363 -0.413 1169 1HG GLU 122 2HG GLU 122 -17.365 -21.800 -0.675 1170 2HG GLU 122 1HG GLU 122 -17.511 -21.588 -2.412 1171 QB GLU 122 QB GLU 122 -18.041 -19.336 -1.275 1172 QG GLU 122 QG GLU 122 -17.438 -21.694 -1.544 1173 H SER 123 H SER 123 -19.852 -22.879 -0.894 1174 HA SER 123 HA SER 123 -20.433 -23.021 1.873 1175 1HB SER 123 2HB SER 123 -21.385 -24.643 0.316 1176 2HB SER 123 1HB SER 123 -19.762 -25.189 -0.102 1177 HG SER 123 HG SER 123 -21.257 -26.134 1.755 1178 QB SER 123 QB SER 123 -20.574 -24.916 0.107 1179 H ARG 124 H ARG 124 -19.094 -23.227 3.437 1180 HA ARG 124 HA ARG 124 -16.252 -23.318 3.126 1181 1HB ARG 124 2HB ARG 124 -16.080 -23.315 5.530 1182 2HB ARG 124 1HB ARG 124 -17.410 -22.251 5.115 1183 1HG ARG 124 2HG ARG 124 -17.721 -25.097 6.074 1184 2HG ARG 124 1HG ARG 124 -17.830 -23.674 7.105 1185 1HD ARG 124 2HD ARG 124 -19.767 -22.913 5.886 1186 2HD ARG 124 1HD ARG 124 -19.597 -24.238 4.734 1187 HE ARG 124 HE ARG 124 -19.786 -25.377 7.211 1188 1HH1 ARG 124 1HH1 ARG 124 -21.837 -23.340 5.172 1189 2HH1 ARG 124 2HH1 ARG 124 -23.303 -23.979 5.746 1190 1HH2 ARG 124 1HH2 ARG 124 -21.765 -26.288 7.998 1191 2HH2 ARG 124 2HH2 ARG 124 -23.257 -25.716 7.416 1192 QB ARG 124 QB ARG 124 -16.745 -22.783 5.323 1193 QG ARG 124 QG ARG 124 -17.775 -24.386 6.590 1194 QD ARG 124 QD ARG 124 -19.682 -23.576 5.310 1195 QH1 ARG 124 QH1 ARG 124 -22.570 -23.660 5.459 1196 QH2 ARG 124 QH2 ARG 124 -22.511 -26.002 7.707 1197 H GLN 125 H GLN 125 -18.581 -25.659 2.840 1198 HA GLN 125 HA GLN 125 -16.831 -27.850 3.692 1199 1HB GLN 125 2HB GLN 125 -19.099 -27.710 4.747 1200 2HB GLN 125 1HB GLN 125 -19.825 -27.793 3.160 1201 1HG GLN 125 2HG GLN 125 -18.110 -29.997 4.288 1202 2HG GLN 125 1HG GLN 125 -19.843 -29.904 4.558 1203 1HE2 GLN 125 1HE2 GLN 125 -20.429 -28.923 1.858 1204 2HE2 GLN 125 2HE2 GLN 125 -20.197 -30.242 0.796 1205 QB GLN 125 QB GLN 125 -19.462 -27.751 3.954 1206 QG GLN 125 QG GLN 125 -18.977 -29.951 4.423 1207 QE GLN 125 QE2 GLN 125 -20.313 -29.582 1.327 No H/Q in entry = 1207 Start of MODEL 8 1 H1 LEU 5 3HT LEU 5 -17.674 14.615 -19.162 2 H2 LEU 5 2HT LEU 5 -17.396 12.936 -19.075 3 H3 LEU 5 1HT LEU 5 -17.663 13.837 -17.694 4 HA LEU 5 HA LEU 5 -15.358 13.389 -17.821 5 1HB LEU 5 2HB LEU 5 -15.580 14.801 -20.487 6 2HB LEU 5 1HB LEU 5 -14.069 14.710 -19.623 7 HG LEU 5 HG LEU 5 -14.070 13.144 -21.397 8 1HD1 LEU 5 1HD1 LEU 5 -14.415 11.688 -18.799 9 2HD1 LEU 5 3HD1 LEU 5 -13.686 11.027 -20.264 10 3HD1 LEU 5 2HD1 LEU 5 -12.936 12.393 -19.443 11 1HD2 LEU 5 2HD2 LEU 5 -16.492 12.945 -21.679 12 2HD2 LEU 5 1HD2 LEU 5 -15.682 11.368 -21.669 13 3HD2 LEU 5 3HD2 LEU 5 -16.557 11.919 -20.243 14 MD1 LEU 5 QD1 LEU 5 -13.679 11.703 -19.502 15 MD2 LEU 5 QD2 LEU 5 -16.244 12.077 -21.197 16 QB LEU 5 QB LEU 5 -14.825 14.755 -20.055 17 QD LEU 5 QQD LEU 5 -14.961 11.890 -20.349 18 H GLU 6 H GLU 6 -13.682 15.110 -17.499 19 HA GLU 6 HA GLU 6 -14.656 17.765 -17.154 20 1HB GLU 6 2HB GLU 6 -14.817 16.571 -14.941 21 2HB GLU 6 1HB GLU 6 -13.133 16.140 -15.241 22 1HG GLU 6 2HG GLU 6 -13.617 17.952 -13.596 23 2HG GLU 6 1HG GLU 6 -12.351 18.269 -14.791 24 QB GLU 6 QB GLU 6 -13.975 16.355 -15.091 25 QG GLU 6 QG GLU 6 -12.984 18.110 -14.194 26 H ALA 7 H ALA 7 -12.913 19.144 -17.333 27 HA ALA 7 HA ALA 7 -10.964 18.299 -19.220 28 1HB ALA 7 1HB ALA 7 -11.011 20.848 -17.592 29 2HB ALA 7 3HB ALA 7 -10.011 20.542 -19.015 30 3HB ALA 7 2HB ALA 7 -11.769 20.616 -19.166 31 MB ALA 7 QB ALA 7 -10.930 20.668 -18.591 32 H ASP 8 H ASP 8 -8.902 17.683 -18.974 33 HA ASP 8 HA ASP 8 -8.124 16.678 -16.447 34 1HB ASP 8 2HB ASP 8 -7.389 15.572 -18.497 35 2HB ASP 8 1HB ASP 8 -6.497 17.010 -18.978 36 QB ASP 8 QB ASP 8 -6.943 16.291 -18.737 37 H VAL 9 H VAL 9 -7.229 17.678 -14.861 38 HA VAL 9 HA VAL 9 -6.785 20.339 -14.993 39 HB VAL 9 HB VAL 9 -6.280 20.202 -12.571 40 1HG1 VAL 9 3HG1 VAL 9 -8.699 18.687 -13.550 41 2HG1 VAL 9 2HG1 VAL 9 -8.522 19.404 -11.949 42 3HG1 VAL 9 1HG1 VAL 9 -8.572 20.437 -13.380 43 1HG2 VAL 9 3HG2 VAL 9 -5.173 18.064 -12.645 44 2HG2 VAL 9 2HG2 VAL 9 -6.518 18.036 -11.482 45 3HG2 VAL 9 1HG2 VAL 9 -6.687 17.290 -13.085 46 MG1 VAL 9 QG1 VAL 9 -8.598 19.509 -12.960 47 MG2 VAL 9 QG2 VAL 9 -6.126 17.797 -12.404 48 QG VAL 9 QQG VAL 9 -7.362 18.653 -12.682 49 H THR 10 H THR 10 -4.729 18.136 -16.062 50 HA THR 10 HA THR 10 -2.635 17.998 -16.669 51 HB THR 10 HB THR 10 -1.139 19.782 -16.669 52 HG1 THR 10 1HG THR 10 -2.930 20.928 -14.837 53 1HG2 THR 10 3HG2 THR 10 -3.919 20.630 -17.437 54 2HG2 THR 10 2HG2 THR 10 -2.457 21.446 -17.994 55 3HG2 THR 10 1HG2 THR 10 -2.752 19.762 -18.430 56 MG THR 10 QG2 THR 10 -3.043 20.613 -17.954 57 H MET 11 H MET 11 -0.824 17.055 -16.059 58 HA MET 11 HA MET 11 -0.467 16.615 -13.266 59 1HB MET 11 2HB MET 11 1.020 15.678 -15.724 60 2HB MET 11 1HB MET 11 1.580 15.313 -14.105 61 1HG MET 11 2HG MET 11 0.431 13.431 -15.066 62 2HG MET 11 1HG MET 11 -0.488 14.089 -13.719 63 1HE MET 11 2HE MET 11 -1.554 12.014 -15.986 64 2HE MET 11 1HE MET 11 -2.518 12.532 -14.601 65 3HE MET 11 3HE MET 11 -3.184 12.642 -16.231 66 QB MET 11 QB MET 11 1.300 15.495 -14.915 67 QG MET 11 QG MET 11 -0.028 13.760 -14.393 68 ME MET 11 QE MET 11 -2.419 12.396 -15.606 69 H THR 12 H THR 12 -0.208 18.952 -12.918 70 HA THR 12 HA THR 12 2.541 19.825 -13.390 71 HB THR 12 HB THR 12 1.697 22.034 -13.061 72 HG1 THR 12 1HG THR 12 -0.856 21.393 -14.019 73 1HG2 THR 12 1HG2 THR 12 0.703 20.532 -15.473 74 2HG2 THR 12 3HG2 THR 12 0.822 22.287 -15.406 75 3HG2 THR 12 2HG2 THR 12 2.278 21.304 -15.274 76 MG THR 12 QG2 THR 12 1.267 21.375 -15.385 77 H GLY 13 H GLY 13 3.178 18.661 -11.646 78 1HA GLY 13 1HA GLY 13 2.699 18.355 -9.174 79 2HA GLY 13 2HA GLY 13 2.782 20.122 -9.156 80 QA GLY 13 QA GLY 13 2.741 19.238 -9.165 81 H SER 14 H SER 14 4.634 19.942 -7.795 82 HA SER 14 HA SER 14 7.019 19.332 -9.381 83 1HB SER 14 2HB SER 14 8.022 21.142 -7.908 84 2HB SER 14 1HB SER 14 6.851 21.617 -9.150 85 HG SER 14 HG SER 14 6.378 21.361 -6.337 86 QB SER 14 QB SER 14 7.436 21.380 -8.529 87 H ASP 15 H ASP 15 5.651 19.259 -6.082 88 HA ASP 15 HA ASP 15 8.001 17.922 -5.193 89 1HB ASP 15 2HB ASP 15 7.195 18.741 -3.028 90 2HB ASP 15 1HB ASP 15 7.842 20.018 -4.028 91 QB ASP 15 QB ASP 15 7.518 19.380 -3.528 92 H LEU 16 H LEU 16 6.361 16.467 -6.432 93 HA LEU 16 HA LEU 16 5.291 14.814 -4.306 94 1HB LEU 16 2HB LEU 16 4.462 14.812 -7.176 95 2HB LEU 16 1HB LEU 16 3.783 13.820 -5.898 96 HG LEU 16 HG LEU 16 2.185 15.337 -6.274 97 1HD1 LEU 16 1HD1 LEU 16 3.730 16.590 -4.075 98 2HD1 LEU 16 3HD1 LEU 16 2.060 16.959 -4.480 99 3HD1 LEU 16 2HD1 LEU 16 2.498 15.326 -3.961 100 1HD2 LEU 16 1HD2 LEU 16 4.227 17.484 -6.665 101 2HD2 LEU 16 3HD2 LEU 16 3.236 16.636 -7.860 102 3HD2 LEU 16 2HD2 LEU 16 2.466 17.720 -6.691 103 MD1 LEU 16 QD1 LEU 16 2.763 16.292 -4.172 104 MD2 LEU 16 QD2 LEU 16 3.310 17.280 -7.072 105 QB LEU 16 QB LEU 16 4.122 14.316 -6.537 106 QD LEU 16 QQD LEU 16 3.036 16.786 -5.622 107 H VAL 17 H VAL 17 5.474 12.703 -4.558 108 HA VAL 17 HA VAL 17 7.500 11.806 -6.173 109 HB VAL 17 HB VAL 17 7.741 12.043 -3.185 110 1HG1 VAL 17 1HG1 VAL 17 9.005 10.108 -4.957 111 2HG1 VAL 17 3HG1 VAL 17 9.690 10.488 -3.345 112 3HG1 VAL 17 2HG1 VAL 17 8.029 9.824 -3.453 113 1HG2 VAL 17 2HG2 VAL 17 8.894 13.719 -4.635 114 2HG2 VAL 17 1HG2 VAL 17 9.995 12.794 -3.604 115 3HG2 VAL 17 3HG2 VAL 17 9.853 12.402 -5.308 116 MG1 VAL 17 QG1 VAL 17 8.908 10.140 -3.918 117 MG2 VAL 17 QG2 VAL 17 9.581 12.971 -4.516 118 QG VAL 17 QQG VAL 17 9.244 11.556 -4.217 119 H SER 18 H SER 18 7.297 9.477 -6.137 120 HA SER 18 HA SER 18 5.184 8.363 -4.505 121 1HB SER 18 2HB SER 18 4.349 7.017 -6.470 122 2HB SER 18 1HB SER 18 4.004 8.745 -6.548 123 HG SER 18 HG SER 18 6.357 8.305 -7.685 124 QB SER 18 QB SER 18 4.177 7.881 -6.509 125 H CYS 19 H CYS 19 5.988 6.857 -3.370 126 HA CYS 19 HA CYS 19 8.219 5.283 -4.354 127 1HB CYS 19 2HB CYS 19 6.879 5.380 -1.638 128 2HB CYS 19 1HB CYS 19 8.351 4.493 -2.018 129 HG CYS 19 HG CYS 19 10.003 6.472 -1.580 130 QB CYS 19 QB CYS 19 7.615 4.936 -1.828 131 H CYS 20 H CYS 20 7.882 3.286 -5.122 132 HA CYS 20 HA CYS 20 5.139 2.201 -4.964 133 1HB CYS 20 2HB CYS 20 7.180 1.834 -7.181 134 2HB CYS 20 1HB CYS 20 5.513 1.288 -7.176 135 HG CYS 20 HG CYS 20 6.100 3.471 -8.935 136 QB CYS 20 QB CYS 20 6.346 1.561 -7.179 137 H TYR 21 H TYR 21 5.221 0.531 -3.545 138 HA TYR 21 HA TYR 21 7.776 -0.860 -3.592 139 1HB TYR 21 2HB TYR 21 7.735 -1.144 -1.315 140 2HB TYR 21 1HB TYR 21 7.426 0.554 -1.640 141 HD1 TYR 21 1HD TYR 21 5.789 -2.626 -0.656 142 HD2 TYR 21 2HD TYR 21 5.797 1.605 -0.485 143 HE1 TYR 21 1HE TYR 21 4.162 -2.727 1.059 144 HE2 TYR 21 2HE TYR 21 4.139 1.538 1.261 145 HH TYR 21 HH TYR 21 2.370 -0.085 2.107 146 QB TYR 21 QB TYR 21 7.580 -0.295 -1.477 147 QD TYR 21 QD TYR 21 5.793 -0.511 -0.570 148 QE TYR 21 QE TYR 21 4.150 -0.595 1.160 149 QR TYR 21 QR TYR 21 4.972 -0.553 0.295 150 H ARG 22 H ARG 22 7.809 -3.003 -2.989 151 HA ARG 22 HA ARG 22 5.390 -4.519 -3.664 152 1HB ARG 22 2HB ARG 22 7.193 -4.445 -5.383 153 2HB ARG 22 1HB ARG 22 8.315 -5.085 -4.215 154 1HG ARG 22 2HG ARG 22 5.905 -6.575 -5.254 155 2HG ARG 22 1HG ARG 22 7.519 -6.714 -5.934 156 1HD ARG 22 2HD ARG 22 6.537 -7.573 -3.218 157 2HD ARG 22 1HD ARG 22 7.203 -8.583 -4.493 158 HE ARG 22 HE ARG 22 8.684 -6.782 -2.716 159 1HH1 ARG 22 1HH1 ARG 22 8.800 -9.217 -5.295 160 2HH1 ARG 22 2HH1 ARG 22 10.398 -9.677 -4.961 161 1HH2 ARG 22 1HH2 ARG 22 10.918 -7.492 -2.244 162 2HH2 ARG 22 2HH2 ARG 22 11.623 -8.683 -3.216 163 QB ARG 22 QB ARG 22 7.754 -4.765 -4.799 164 QG ARG 22 QG ARG 22 6.712 -6.645 -5.594 165 QD ARG 22 QD ARG 22 6.870 -8.078 -3.856 166 QH1 ARG 22 QH1 ARG 22 9.599 -9.447 -5.128 167 QH2 ARG 22 QH2 ARG 22 11.271 -8.088 -2.730 168 H SER 23 H SER 23 4.723 -5.619 -1.910 169 HA SER 23 HA SER 23 6.745 -6.632 -0.078 170 1HB SER 23 2HB SER 23 3.906 -5.806 0.537 171 2HB SER 23 1HB SER 23 5.040 -6.512 1.699 172 HG SER 23 HG SER 23 5.739 -4.302 0.194 173 QB SER 23 QB SER 23 4.473 -6.159 1.118 174 H LEU 24 H LEU 24 6.064 -8.734 0.932 175 HA LEU 24 HA LEU 24 4.307 -10.282 -0.888 176 1HB LEU 24 2HB LEU 24 6.649 -11.197 0.798 177 2HB LEU 24 1HB LEU 24 5.506 -12.326 0.118 178 HG LEU 24 HG LEU 24 7.492 -12.340 -1.195 179 1HD1 LEU 24 3HD1 LEU 24 5.451 -12.603 -2.431 180 2HD1 LEU 24 2HD1 LEU 24 5.359 -10.853 -2.665 181 3HD1 LEU 24 1HD1 LEU 24 6.668 -11.771 -3.399 182 1HD2 LEU 24 2HD2 LEU 24 8.372 -10.136 -0.599 183 2HD2 LEU 24 1HD2 LEU 24 8.371 -10.398 -2.352 184 3HD2 LEU 24 3HD2 LEU 24 7.122 -9.402 -1.620 185 MD1 LEU 24 QD1 LEU 24 5.826 -11.742 -2.832 186 MD2 LEU 24 QD2 LEU 24 7.955 -9.978 -1.524 187 QB LEU 24 QB LEU 24 6.078 -11.762 0.458 188 QD LEU 24 QQD LEU 24 6.890 -10.860 -2.178 189 H ALA 25 H ALA 25 2.970 -8.882 0.914 190 HA ALA 25 HA ALA 25 2.262 -8.812 3.290 191 1HB ALA 25 2HB ALA 25 0.335 -10.357 1.560 192 2HB ALA 25 3HB ALA 25 0.507 -8.594 1.728 193 3HB ALA 25 1HB ALA 25 -0.043 -9.535 3.093 194 MB ALA 25 QB ALA 25 0.266 -9.496 2.127 195 H ALA 26 H ALA 26 2.824 -9.729 5.182 196 HA ALA 26 HA ALA 26 3.840 -12.148 5.270 197 1HB ALA 26 2HB ALA 26 4.321 -10.357 6.706 198 2HB ALA 26 1HB ALA 26 2.720 -10.406 7.410 199 3HB ALA 26 3HB ALA 26 3.837 -11.763 7.690 200 MB ALA 26 QB ALA 26 3.626 -10.842 7.269 201 HA PRO 27 HA PRO 27 0.151 -14.751 5.705 202 1HB PRO 27 2HB PRO 27 1.444 -16.900 6.720 203 2HB PRO 27 1HB PRO 27 1.556 -16.435 5.008 204 1HG PRO 27 2HG PRO 27 3.361 -15.515 7.240 205 2HG PRO 27 1HG PRO 27 3.870 -16.466 5.785 206 1HD PRO 27 2HD PRO 27 4.173 -13.949 5.910 207 2HD PRO 27 1HD PRO 27 3.315 -14.563 4.469 208 QB PRO 27 QB PRO 27 1.500 -16.668 5.864 209 QG PRO 27 QG PRO 27 3.615 -15.991 6.512 210 QD PRO 27 QD PRO 27 3.744 -14.256 5.190 211 H ASP 28 H ASP 28 1.841 -13.376 8.045 212 HA ASP 28 HA ASP 28 0.436 -14.698 10.256 213 1HB ASP 28 2HB ASP 28 2.913 -14.580 10.451 214 2HB ASP 28 1HB ASP 28 2.817 -12.827 10.432 215 QB ASP 28 QB ASP 28 2.865 -13.704 10.442 216 H LEU 29 H LEU 29 -0.184 -12.330 8.245 217 HA LEU 29 HA LEU 29 -0.814 -10.208 10.044 218 1HB LEU 29 2HB LEU 29 -1.609 -10.632 7.188 219 2HB LEU 29 1HB LEU 29 -1.967 -9.193 8.125 220 HG LEU 29 HG LEU 29 0.695 -10.192 7.186 221 1HD1 LEU 29 2HD1 LEU 29 -0.745 -8.993 5.629 222 2HD1 LEU 29 1HD1 LEU 29 -0.775 -7.629 6.748 223 3HD1 LEU 29 3HD1 LEU 29 0.758 -8.117 5.988 224 1HD2 LEU 29 3HD2 LEU 29 0.094 -7.923 9.079 225 2HD2 LEU 29 2HD2 LEU 29 0.983 -9.406 9.455 226 3HD2 LEU 29 1HD2 LEU 29 1.661 -8.237 8.326 227 MD1 LEU 29 QD1 LEU 29 -0.254 -8.246 6.122 228 MD2 LEU 29 QD2 LEU 29 0.913 -8.522 8.953 229 QB LEU 29 QB LEU 29 -1.788 -9.913 7.656 230 QD LEU 29 QQD LEU 29 0.329 -8.384 7.537 231 H THR 30 H THR 30 -2.861 -9.319 10.273 232 HA THR 30 HA THR 30 -5.015 -11.273 10.547 233 HB THR 30 HB THR 30 -5.501 -9.189 12.037 234 HG1 THR 30 1HG THR 30 -3.593 -8.326 12.597 235 1HG2 THR 30 3HG2 THR 30 -4.248 -11.807 12.649 236 2HG2 THR 30 2HG2 THR 30 -4.942 -10.748 13.912 237 3HG2 THR 30 1HG2 THR 30 -5.964 -11.376 12.592 238 MG THR 30 QG2 THR 30 -5.051 -11.311 13.051 239 H LEU 31 H LEU 31 -6.935 -10.803 9.816 240 HA LEU 31 HA LEU 31 -7.507 -9.055 7.718 241 1HB LEU 31 2HB LEU 31 -8.818 -11.018 8.577 242 2HB LEU 31 1HB LEU 31 -9.208 -9.897 9.897 243 HG LEU 31 HG LEU 31 -10.458 -8.473 8.387 244 1HD1 LEU 31 2HD1 LEU 31 -9.215 -8.869 6.348 245 2HD1 LEU 31 1HD1 LEU 31 -9.871 -10.512 6.243 246 3HD1 LEU 31 3HD1 LEU 31 -10.939 -9.104 6.121 247 1HD2 LEU 31 2HD2 LEU 31 -11.642 -10.261 9.533 248 2HD2 LEU 31 1HD2 LEU 31 -12.343 -9.952 7.942 249 3HD2 LEU 31 3HD2 LEU 31 -11.307 -11.356 8.195 250 MD1 LEU 31 QD1 LEU 31 -10.008 -9.495 6.237 251 MD2 LEU 31 QD2 LEU 31 -11.764 -10.523 8.557 252 QB LEU 31 QB LEU 31 -9.013 -10.458 9.237 253 QD LEU 31 QQD LEU 31 -10.886 -10.009 7.397 254 H ARG 32 H ARG 32 -7.950 -8.536 11.210 255 HA ARG 32 HA ARG 32 -9.376 -6.138 10.691 256 1HB ARG 32 2HB ARG 32 -9.562 -7.394 12.861 257 2HB ARG 32 1HB ARG 32 -7.973 -6.767 13.296 258 1HG ARG 32 2HG ARG 32 -9.609 -5.335 14.336 259 2HG ARG 32 1HG ARG 32 -8.879 -4.483 12.953 260 1HD ARG 32 2HD ARG 32 -10.772 -5.042 11.551 261 2HD ARG 32 1HD ARG 32 -11.529 -5.921 12.878 262 HE ARG 32 HE ARG 32 -11.187 -3.451 13.878 263 1HH1 ARG 32 1HH1 ARG 32 -12.704 -4.660 10.939 264 2HH1 ARG 32 2HH1 ARG 32 -13.751 -3.357 10.713 265 1HH2 ARG 32 1HH2 ARG 32 -12.605 -1.631 13.654 266 2HH2 ARG 32 2HH2 ARG 32 -13.683 -1.492 12.356 267 QB ARG 32 QB ARG 32 -8.767 -7.080 13.078 268 QG ARG 32 QG ARG 32 -9.244 -4.909 13.645 269 QD ARG 32 QD ARG 32 -11.150 -5.482 12.214 270 QH1 ARG 32 QH1 ARG 32 -13.227 -4.009 10.826 271 QH2 ARG 32 QH2 ARG 32 -13.144 -1.562 13.005 272 H ASP 33 H ASP 33 -6.064 -6.907 10.874 273 HA ASP 33 HA ASP 33 -5.201 -4.224 11.136 274 1HB ASP 33 2HB ASP 33 -3.753 -6.762 10.400 275 2HB ASP 33 1HB ASP 33 -2.955 -5.198 10.305 276 QB ASP 33 QB ASP 33 -3.354 -5.980 10.352 277 H LEU 34 H LEU 34 -6.039 -6.351 8.404 278 HA LEU 34 HA LEU 34 -4.999 -4.470 6.420 279 1HB LEU 34 2HB LEU 34 -7.133 -6.604 6.104 280 2HB LEU 34 1HB LEU 34 -6.619 -5.566 4.805 281 HG LEU 34 HG LEU 34 -5.649 -7.725 4.509 282 1HD1 LEU 34 2HD1 LEU 34 -4.231 -5.862 3.869 283 2HD1 LEU 34 1HD1 LEU 34 -3.526 -5.835 5.487 284 3HD1 LEU 34 3HD1 LEU 34 -3.275 -7.229 4.444 285 1HD2 LEU 34 3HD2 LEU 34 -5.856 -8.327 6.848 286 2HD2 LEU 34 2HD2 LEU 34 -4.292 -8.824 6.141 287 3HD2 LEU 34 1HD2 LEU 34 -4.416 -7.385 7.192 288 MD1 LEU 34 QD1 LEU 34 -3.678 -6.309 4.600 289 MD2 LEU 34 QD2 LEU 34 -4.855 -8.179 6.727 290 QB LEU 34 QB LEU 34 -6.876 -6.085 5.455 291 QD LEU 34 QQD LEU 34 -4.266 -7.244 5.664 292 H LEU 35 H LEU 35 -7.984 -5.093 7.953 293 HA LEU 35 HA LEU 35 -9.433 -3.068 6.592 294 1HB LEU 35 2HB LEU 35 -10.033 -4.725 9.036 295 2HB LEU 35 1HB LEU 35 -11.130 -3.464 8.516 296 HG LEU 35 HG LEU 35 -11.784 -5.802 7.757 297 1HD1 LEU 35 1HD1 LEU 35 -12.610 -3.819 6.609 298 2HD1 LEU 35 3HD1 LEU 35 -11.192 -3.821 5.561 299 3HD1 LEU 35 2HD1 LEU 35 -12.343 -5.155 5.489 300 1HD2 LEU 35 2HD2 LEU 35 -9.462 -6.579 7.296 301 2HD2 LEU 35 1HD2 LEU 35 -10.539 -6.809 5.896 302 3HD2 LEU 35 3HD2 LEU 35 -9.389 -5.476 5.978 303 MD1 LEU 35 QD1 LEU 35 -12.048 -4.265 5.886 304 MD2 LEU 35 QD2 LEU 35 -9.797 -6.288 6.390 305 QB LEU 35 QB LEU 35 -10.581 -4.095 8.776 306 QD LEU 35 QQD LEU 35 -10.923 -5.276 6.138 307 H ASP 36 H ASP 36 -7.447 -3.090 9.286 308 HA ASP 36 HA ASP 36 -8.021 -0.362 10.105 309 1HB ASP 36 2HB ASP 36 -6.871 -1.880 11.689 310 2HB ASP 36 1HB ASP 36 -5.506 -1.993 10.585 311 QB ASP 36 QB ASP 36 -6.188 -1.937 11.137 312 H ILE 37 H ILE 37 -5.439 -1.896 8.209 313 HA ILE 37 HA ILE 37 -3.899 0.248 7.455 314 HB ILE 37 HB ILE 37 -4.603 -2.249 5.902 315 1HG1 ILE 37 2HG1 ILE 37 -1.961 -1.492 7.066 316 2HG1 ILE 37 1HG1 ILE 37 -3.165 -2.244 8.083 317 1HG2 ILE 37 1HG2 ILE 37 -2.527 -0.187 5.141 318 2HG2 ILE 37 3HG2 ILE 37 -2.713 -1.774 4.394 319 3HG2 ILE 37 2HG2 ILE 37 -3.993 -0.570 4.239 320 1HD1 ILE 37 2HD1 ILE 37 -2.067 -3.420 5.526 321 2HD1 ILE 37 1HD1 ILE 37 -1.530 -3.844 7.163 322 3HD1 ILE 37 3HD1 ILE 37 -3.172 -4.198 6.656 323 MG ILE 37 QG2 ILE 37 -3.078 -0.844 4.591 324 MD ILE 37 QD1 ILE 37 -2.257 -3.821 6.449 325 QG ILE 37 QG1 ILE 37 -2.563 -1.868 7.574 326 H VAL 38 H VAL 38 -6.690 -0.991 5.677 327 HA VAL 38 HA VAL 38 -6.703 0.913 3.663 328 HB VAL 38 HB VAL 38 -8.179 -1.029 3.456 329 1HG1 VAL 38 1HG1 VAL 38 -8.729 -1.348 5.735 330 2HG1 VAL 38 3HG1 VAL 38 -9.789 0.067 5.722 331 3HG1 VAL 38 2HG1 VAL 38 -10.169 -1.351 4.726 332 1HG2 VAL 38 3HG2 VAL 38 -9.817 1.508 3.536 333 2HG2 VAL 38 2HG2 VAL 38 -8.920 0.883 2.151 334 3HG2 VAL 38 1HG2 VAL 38 -10.314 0.002 2.765 335 MG1 VAL 38 QG1 VAL 38 -9.562 -0.877 5.394 336 MG2 VAL 38 QG2 VAL 38 -9.684 0.798 2.818 337 QG VAL 38 QQG VAL 38 -9.623 -0.040 4.106 338 H GLU 39 H GLU 39 -8.166 1.199 6.839 339 HA GLU 39 HA GLU 39 -9.386 3.734 6.465 340 1HB GLU 39 2HB GLU 39 -8.459 2.321 8.962 341 2HB GLU 39 1HB GLU 39 -9.484 3.744 8.940 342 1HG GLU 39 2HG GLU 39 -10.188 1.126 7.665 343 2HG GLU 39 1HG GLU 39 -10.691 1.611 9.280 344 QB GLU 39 QB GLU 39 -8.971 3.033 8.951 345 QG GLU 39 QG GLU 39 -10.440 1.368 8.472 346 H THR 40 H THR 40 -6.521 2.757 8.274 347 HA THR 40 HA THR 40 -5.555 5.195 9.053 348 HB THR 40 HB THR 40 -4.011 2.671 8.399 349 HG1 THR 40 1HG THR 40 -4.783 1.926 10.313 350 1HG2 THR 40 2HG2 THR 40 -2.561 4.653 8.761 351 2HG2 THR 40 1HG2 THR 40 -3.368 4.931 10.303 352 3HG2 THR 40 3HG2 THR 40 -2.395 3.476 10.068 353 MG THR 40 QG2 THR 40 -2.775 4.354 9.711 354 H SER 41 H SER 41 -4.922 3.446 6.048 355 HA SER 41 HA SER 41 -2.854 5.129 5.145 356 1HB SER 41 2HB SER 41 -3.214 2.770 4.393 357 2HB SER 41 1HB SER 41 -4.638 3.310 3.507 358 HG SER 41 HG SER 41 -3.321 3.829 1.946 359 QB SER 41 QB SER 41 -3.926 3.040 3.950 360 H GLN 42 H GLN 42 -6.307 4.896 4.116 361 HA GLN 42 HA GLN 42 -6.030 6.985 2.225 362 1HB GLN 42 2HB GLN 42 -8.413 6.854 1.920 363 2HB GLN 42 1HB GLN 42 -7.751 5.238 2.104 364 1HG GLN 42 2HG GLN 42 -8.443 5.303 4.480 365 2HG GLN 42 1HG GLN 42 -9.284 6.812 4.130 366 1HE2 GLN 42 1HE2 GLN 42 -10.291 4.353 5.016 367 2HE2 GLN 42 2HE2 GLN 42 -11.420 3.767 3.850 368 QB GLN 42 QB GLN 42 -8.082 6.046 2.012 369 QG GLN 42 QG GLN 42 -8.863 6.057 4.305 370 QE GLN 42 QE2 GLN 42 -10.855 4.060 4.433 371 H ALA 43 H ALA 43 -6.932 6.970 5.576 372 HA ALA 43 HA ALA 43 -8.069 9.575 5.520 373 1HB ALA 43 3HB ALA 43 -8.307 9.312 7.896 374 2HB ALA 43 1HB ALA 43 -7.108 8.000 7.905 375 3HB ALA 43 2HB ALA 43 -8.651 7.759 7.110 376 MB ALA 43 QB ALA 43 -8.022 8.357 7.637 377 H HIS 44 H HIS 44 -4.867 8.331 6.416 378 HA HIS 44 HA HIS 44 -3.976 10.992 7.026 379 1HB HIS 44 2HB HIS 44 -2.799 8.994 8.016 380 2HB HIS 44 1HB HIS 44 -2.270 8.605 6.380 381 HD1 HIS 44 1HD HIS 44 0.165 9.082 6.289 382 HD2 HIS 44 2HD HIS 44 -1.888 12.103 8.259 383 HE1 HIS 44 1HE HIS 44 1.888 10.816 6.839 384 HE2 HIS 44 2HE HIS 44 0.687 12.353 8.375 385 QB HIS 44 QB HIS 44 -2.535 8.799 7.198 386 H ASN 45 H ASN 45 -4.017 8.937 4.217 387 HA ASN 45 HA ASN 45 -2.389 10.560 2.654 388 1HB ASN 45 2HB ASN 45 -4.391 8.448 1.998 389 2HB ASN 45 1HB ASN 45 -3.827 9.495 0.700 390 1HD2 ASN 45 1HD2 ASN 45 -2.784 7.790 -0.326 391 2HD2 ASN 45 2HD2 ASN 45 -1.327 7.098 0.290 392 QB ASN 45 QB ASN 45 -4.109 8.972 1.349 393 QD ASN 45 QD2 ASN 45 -2.056 7.444 -0.018 394 H ALA 46 H ALA 46 -5.875 10.615 3.138 395 HA ALA 46 HA ALA 46 -6.476 12.659 1.315 396 1HB ALA 46 2HB ALA 46 -8.491 13.011 2.655 397 2HB ALA 46 3HB ALA 46 -7.786 12.062 3.963 398 3HB ALA 46 1HB ALA 46 -8.187 11.284 2.430 399 MB ALA 46 QB ALA 46 -8.155 12.119 3.016 400 H ARG 47 H ARG 47 -5.355 12.708 4.609 401 HA ARG 47 HA ARG 47 -5.521 15.529 4.976 402 1HB ARG 47 2HB ARG 47 -5.416 13.611 6.740 403 2HB ARG 47 1HB ARG 47 -3.679 13.711 6.425 404 1HG ARG 47 2HG ARG 47 -4.103 14.976 8.391 405 2HG ARG 47 1HG ARG 47 -3.753 16.110 7.086 406 1HD ARG 47 2HD ARG 47 -5.634 16.897 8.404 407 2HD ARG 47 1HD ARG 47 -6.170 16.482 6.778 408 HE ARG 47 HE ARG 47 -6.408 14.375 8.722 409 1HH1 ARG 47 1HH1 ARG 47 -8.074 17.172 7.322 410 2HH1 ARG 47 2HH1 ARG 47 -9.632 16.566 7.638 411 1HH2 ARG 47 1HH2 ARG 47 -8.607 13.589 9.197 412 2HH2 ARG 47 2HH2 ARG 47 -9.938 14.536 8.742 413 QB ARG 47 QB ARG 47 -4.548 13.661 6.582 414 QG ARG 47 QG ARG 47 -3.928 15.543 7.739 415 QD ARG 47 QD ARG 47 -5.902 16.689 7.591 416 QH1 ARG 47 QH1 ARG 47 -8.853 16.869 7.480 417 QH2 ARG 47 QH2 ARG 47 -9.272 14.062 8.970 418 H ALA 48 H ALA 48 -2.803 13.326 4.405 419 HA ALA 48 HA ALA 48 -0.975 15.483 4.301 420 1HB ALA 48 2HB ALA 48 -0.330 13.331 5.177 421 2HB ALA 48 3HB ALA 48 0.701 13.900 3.848 422 3HB ALA 48 1HB ALA 48 -0.487 12.618 3.562 423 MB ALA 48 QB ALA 48 -0.039 13.283 4.196 424 H GLN 49 H GLN 49 -3.160 14.431 2.062 425 HA GLN 49 HA GLN 49 -3.627 15.192 -0.046 426 1HB GLN 49 2HB GLN 49 -0.882 16.437 0.051 427 2HB GLN 49 1HB GLN 49 -2.141 16.840 -1.144 428 1HG GLN 49 2HG GLN 49 -3.266 18.068 0.423 429 2HG GLN 49 1HG GLN 49 -2.660 16.984 1.700 430 1HE2 GLN 49 1HE2 GLN 49 -0.725 17.303 2.596 431 2HE2 GLN 49 2HE2 GLN 49 0.249 18.684 2.445 432 QB GLN 49 QB GLN 49 -1.511 16.638 -0.547 433 QG GLN 49 QG GLN 49 -2.963 17.526 1.061 434 QE GLN 49 QE2 GLN 49 -0.238 17.993 2.520 435 H LEU 50 H LEU 50 -1.976 12.914 0.809 436 HA LEU 50 HA LEU 50 -0.467 12.028 -1.467 437 1HB LEU 50 2HB LEU 50 -1.174 10.997 1.212 438 2HB LEU 50 1HB LEU 50 -0.686 9.838 -0.003 439 HG LEU 50 HG LEU 50 1.449 10.801 -0.164 440 1HD1 LEU 50 3HD1 LEU 50 0.532 12.933 1.749 441 2HD1 LEU 50 2HD1 LEU 50 2.190 12.706 1.189 442 3HD1 LEU 50 1HD1 LEU 50 0.926 13.155 0.046 443 1HD2 LEU 50 1HD2 LEU 50 1.079 9.256 1.676 444 2HD2 LEU 50 3HD2 LEU 50 2.324 10.446 2.051 445 3HD2 LEU 50 2HD2 LEU 50 0.707 10.614 2.737 446 MD1 LEU 50 QD1 LEU 50 1.216 12.931 0.995 447 MD2 LEU 50 QD2 LEU 50 1.370 10.105 2.155 448 QB LEU 50 QB LEU 50 -0.930 10.417 0.605 449 QD LEU 50 QQD LEU 50 1.293 11.518 1.575 450 H THR 51 H THR 51 -1.131 10.676 -3.041 451 HA THR 51 HA THR 51 -3.822 9.599 -2.890 452 HB THR 51 HB THR 51 -3.923 9.997 -5.356 453 HG1 THR 51 1HG THR 51 -1.913 10.266 -6.164 454 1HG2 THR 51 1HG2 THR 51 -4.720 11.525 -3.669 455 2HG2 THR 51 3HG2 THR 51 -3.155 12.359 -3.693 456 3HG2 THR 51 2HG2 THR 51 -4.186 12.373 -5.148 457 MG THR 51 QG2 THR 51 -4.020 12.086 -4.170 458 H GLY 52 H GLY 52 -4.065 7.490 -4.142 459 1HA GLY 52 1HA GLY 52 -2.375 5.791 -2.824 460 2HA GLY 52 2HA GLY 52 -1.690 5.975 -4.433 461 QA GLY 52 QA GLY 52 -2.033 5.883 -3.628 462 H ALA 53 H ALA 53 -2.120 3.676 -4.040 463 HA ALA 53 HA ALA 53 -4.710 2.681 -4.100 464 1HB ALA 53 2HB ALA 53 -4.731 3.429 -6.456 465 2HB ALA 53 3HB ALA 53 -4.769 1.668 -6.344 466 3HB ALA 53 1HB ALA 53 -3.267 2.496 -6.757 467 MB ALA 53 QB ALA 53 -4.256 2.531 -6.519 468 H LEU 54 H LEU 54 -4.671 0.345 -4.259 469 HA LEU 54 HA LEU 54 -2.032 -0.722 -3.652 470 1HB LEU 54 2HB LEU 54 -3.118 -0.231 -1.542 471 2HB LEU 54 1HB LEU 54 -4.587 -1.002 -2.065 472 HG LEU 54 HG LEU 54 -2.065 -2.644 -1.612 473 1HD1 LEU 54 3HD1 LEU 54 -2.540 -1.316 0.395 474 2HD1 LEU 54 2HD1 LEU 54 -4.192 -1.964 0.331 475 3HD1 LEU 54 1HD1 LEU 54 -2.840 -3.051 0.602 476 1HD2 LEU 54 1HD2 LEU 54 -5.020 -3.237 -1.546 477 2HD2 LEU 54 3HD2 LEU 54 -3.868 -3.794 -2.771 478 3HD2 LEU 54 2HD2 LEU 54 -3.751 -4.349 -1.093 479 MD1 LEU 54 QD1 LEU 54 -3.190 -2.110 0.443 480 MD2 LEU 54 QD2 LEU 54 -4.213 -3.793 -1.803 481 QB LEU 54 QB LEU 54 -3.853 -0.616 -1.803 482 QD LEU 54 QQD LEU 54 -3.702 -2.952 -0.680 483 H PHE 55 H PHE 55 -1.671 -2.702 -4.399 484 HA PHE 55 HA PHE 55 -3.881 -4.106 -5.679 485 1HB PHE 55 2HB PHE 55 -1.063 -3.763 -6.754 486 2HB PHE 55 1HB PHE 55 -2.231 -4.900 -7.408 487 HD1 PHE 55 1HD PHE 55 -4.328 -3.987 -8.448 488 HD2 PHE 55 2HD PHE 55 -1.045 -1.502 -7.415 489 HE1 PHE 55 1HE PHE 55 -5.159 -2.261 -9.987 490 HE2 PHE 55 2HE PHE 55 -1.872 0.231 -8.953 491 HZ PHE 55 HZ PHE 55 -3.931 -0.149 -10.241 492 QB PHE 55 QB PHE 55 -1.647 -4.332 -7.081 493 QD PHE 55 QD PHE 55 -2.686 -2.745 -7.932 494 QE PHE 55 QE PHE 55 -3.515 -1.015 -9.470 495 QR PHE 55 QR PHE 55 -3.267 -1.534 -9.009 496 H TYR 56 H TYR 56 -4.192 -5.793 -4.418 497 HA TYR 56 HA TYR 56 -1.852 -7.239 -3.382 498 1HB TYR 56 2HB TYR 56 -3.231 -6.120 -1.610 499 2HB TYR 56 1HB TYR 56 -4.650 -6.974 -2.137 500 HD1 TYR 56 1HD TYR 56 -3.053 -9.733 -2.410 501 HD2 TYR 56 2HD TYR 56 -3.363 -6.794 0.662 502 HE1 TYR 56 1HE TYR 56 -2.583 -11.442 -0.730 503 HE2 TYR 56 2HE TYR 56 -2.891 -8.508 2.344 504 HH TYR 56 HH TYR 56 -3.080 -10.987 2.567 505 QB TYR 56 QB TYR 56 -3.940 -6.547 -1.873 506 QD TYR 56 QD TYR 56 -3.208 -8.264 -0.874 507 QE TYR 56 QE TYR 56 -2.737 -9.975 0.807 508 QR TYR 56 QR TYR 56 -2.972 -9.119 -0.034 509 H SER 57 H SER 57 -1.642 -9.061 -4.526 510 HA SER 57 HA SER 57 -4.085 -10.433 -5.267 511 1HB SER 57 2HB SER 57 -2.937 -11.115 -7.423 512 2HB SER 57 1HB SER 57 -3.371 -9.411 -7.313 513 HG SER 57 HG SER 57 -0.942 -10.652 -7.415 514 QB SER 57 QB SER 57 -3.154 -10.263 -7.368 515 H GLN 58 H GLN 58 -4.054 -11.915 -3.776 516 HA GLN 58 HA GLN 58 -3.690 -13.807 -2.719 517 1HB GLN 58 2HB GLN 58 -3.320 -14.843 -4.903 518 2HB GLN 58 1HB GLN 58 -1.619 -14.414 -4.838 519 1HG GLN 58 2HG GLN 58 -1.960 -16.760 -4.291 520 2HG GLN 58 1HG GLN 58 -1.308 -15.876 -2.912 521 1HE2 GLN 58 1HE2 GLN 58 -4.054 -17.499 -4.223 522 2HE2 GLN 58 2HE2 GLN 58 -4.941 -17.595 -2.741 523 QB GLN 58 QB GLN 58 -2.470 -14.629 -4.871 524 QG GLN 58 QG GLN 58 -1.634 -16.318 -3.602 525 QE GLN 58 QE2 GLN 58 -4.497 -17.547 -3.482 526 H GLY 59 H GLY 59 -0.339 -13.209 -3.651 527 1HA GLY 59 1HA GLY 59 1.295 -13.919 -1.906 528 2HA GLY 59 2HA GLY 59 0.249 -13.093 -0.764 529 QA GLY 59 QA GLY 59 0.772 -13.506 -1.335 530 H VAL 60 H VAL 60 0.968 -11.815 -3.948 531 HA VAL 60 HA VAL 60 2.959 -10.147 -2.766 532 HB VAL 60 HB VAL 60 3.407 -9.188 -4.922 533 1HG1 VAL 60 3HG1 VAL 60 4.437 -11.290 -4.457 534 2HG1 VAL 60 2HG1 VAL 60 3.056 -12.160 -5.117 535 3HG1 VAL 60 1HG1 VAL 60 4.059 -11.156 -6.171 536 1HG2 VAL 60 3HG2 VAL 60 1.135 -9.005 -5.811 537 2HG2 VAL 60 2HG2 VAL 60 2.196 -9.835 -6.944 538 3HG2 VAL 60 1HG2 VAL 60 1.050 -10.760 -5.970 539 MG1 VAL 60 QG1 VAL 60 3.851 -11.535 -5.248 540 MG2 VAL 60 QG2 VAL 60 1.460 -9.867 -6.242 541 QG VAL 60 QQG VAL 60 2.656 -10.701 -5.745 542 H PHE 61 H PHE 61 2.781 -8.309 -2.033 543 HA PHE 61 HA PHE 61 0.149 -7.008 -1.952 544 1HB PHE 61 2HB PHE 61 1.392 -8.163 -0.072 545 2HB PHE 61 1HB PHE 61 2.560 -6.893 -0.198 546 HD1 PHE 61 1HD PHE 61 2.228 -6.726 2.160 547 HD2 PHE 61 2HD PHE 61 -0.911 -5.854 -0.567 548 HE1 PHE 61 1HE PHE 61 1.037 -5.707 3.959 549 HE2 PHE 61 2HE PHE 61 -2.175 -4.765 1.252 550 HZ PHE 61 HZ PHE 61 -1.204 -4.691 3.521 551 QB PHE 61 QB PHE 61 1.976 -7.528 -0.135 552 QD PHE 61 QD PHE 61 0.659 -6.290 0.796 553 QE PHE 61 QE PHE 61 -0.569 -5.236 2.605 554 QR PHE 61 QR PHE 61 -0.205 -5.549 2.065 555 H PHE 62 H PHE 62 0.325 -5.305 -3.518 556 HA PHE 62 HA PHE 62 2.844 -3.819 -3.549 557 1HB PHE 62 2HB PHE 62 2.267 -4.880 -5.709 558 2HB PHE 62 1HB PHE 62 0.720 -4.045 -5.699 559 HD1 PHE 62 1HD PHE 62 4.338 -3.693 -6.181 560 HD2 PHE 62 2HD PHE 62 0.586 -1.683 -6.233 561 HE1 PHE 62 1HE PHE 62 5.366 -1.798 -7.374 562 HE2 PHE 62 2HE PHE 62 1.606 0.205 -7.423 563 HZ PHE 62 HZ PHE 62 3.994 0.150 -7.998 564 QB PHE 62 QB PHE 62 1.494 -4.462 -5.704 565 QD PHE 62 QD PHE 62 2.462 -2.688 -6.207 566 QE PHE 62 QE PHE 62 3.486 -0.796 -7.399 567 QR PHE 62 QR PHE 62 3.178 -1.364 -7.042 568 H GLN 63 H GLN 63 2.816 -1.818 -2.905 569 HA GLN 63 HA GLN 63 0.303 -0.322 -2.728 570 1HB GLN 63 2HB GLN 63 0.695 -1.324 -0.523 571 2HB GLN 63 1HB GLN 63 2.339 -0.716 -0.526 572 1HG GLN 63 2HG GLN 63 1.225 0.781 0.856 573 2HG GLN 63 1HG GLN 63 1.277 1.598 -0.684 574 1HE2 GLN 63 1HE2 GLN 63 -0.741 0.007 1.596 575 2HE2 GLN 63 2HE2 GLN 63 -2.254 0.500 0.923 576 QB GLN 63 QB GLN 63 1.517 -1.020 -0.524 577 QG GLN 63 QG GLN 63 1.251 1.190 0.086 578 QE GLN 63 QE2 GLN 63 -1.498 0.253 1.260 579 H TRP 64 H TRP 64 0.692 1.755 -3.496 580 HA TRP 64 HA TRP 64 3.317 2.748 -3.009 581 1HB TRP 64 2HB TRP 64 3.842 3.434 -5.146 582 2HB TRP 64 1HB TRP 64 3.148 1.818 -5.431 583 HD1 TRP 64 HD TRP 64 3.324 5.204 -6.615 584 HE1 TRP 64 1HE TRP 64 1.507 5.704 -8.311 585 HE3 TRP 64 3HE TRP 64 0.322 1.220 -5.700 586 HZ2 TRP 64 2HZ TRP 64 -0.931 4.563 -9.150 587 HZ3 TRP 64 3HZ TRP 64 -1.760 1.024 -6.974 588 HH2 TRP 64 HH TRP 64 -2.349 2.652 -8.676 589 QB TRP 64 QB TRP 64 3.495 2.626 -5.288 590 H LEU 65 H LEU 65 3.283 5.202 -3.358 591 HA LEU 65 HA LEU 65 0.623 6.328 -3.244 592 1HB LEU 65 2HB LEU 65 1.051 7.528 -1.152 593 2HB LEU 65 1HB LEU 65 0.958 5.792 -0.936 594 HG LEU 65 HG LEU 65 3.589 7.137 -1.232 595 1HD1 LEU 65 2HD1 LEU 65 1.947 6.844 1.292 596 2HD1 LEU 65 1HD1 LEU 65 3.668 7.274 1.266 597 3HD1 LEU 65 3HD1 LEU 65 2.480 8.348 0.534 598 1HD2 LEU 65 3HD2 LEU 65 3.579 4.701 -1.286 599 2HD2 LEU 65 2HD2 LEU 65 4.377 5.263 0.183 600 3HD2 LEU 65 1HD2 LEU 65 2.723 4.646 0.253 601 MD1 LEU 65 QD1 LEU 65 2.698 7.489 1.031 602 MD2 LEU 65 QD2 LEU 65 3.560 4.870 -0.283 603 QB LEU 65 QB LEU 65 1.005 6.660 -1.044 604 QD LEU 65 QQD LEU 65 3.129 6.180 0.374 605 H GLU 66 H GLU 66 0.491 8.285 -4.027 606 HA GLU 66 HA GLU 66 2.888 9.671 -5.009 607 1HB GLU 66 2HB GLU 66 -0.043 10.384 -5.282 608 2HB GLU 66 1HB GLU 66 1.291 11.041 -6.195 609 1HG GLU 66 2HG GLU 66 1.505 8.960 -7.428 610 2HG GLU 66 1HG GLU 66 0.244 8.219 -6.436 611 QB GLU 66 QB GLU 66 0.624 10.712 -5.739 612 QG GLU 66 QG GLU 66 0.874 8.590 -6.932 613 H GLY 67 H GLY 67 3.631 11.300 -3.632 614 1HA GLY 67 1HA GLY 67 2.532 11.972 -1.217 615 2HA GLY 67 2HA GLY 67 1.747 13.028 -2.392 616 QA GLY 67 QA GLY 67 2.139 12.500 -1.805 617 H HIS 68 H HIS 68 3.020 14.544 -0.760 618 HA HIS 68 HA HIS 68 5.361 15.479 -2.093 619 1HB HIS 68 2HB HIS 68 4.053 17.138 -0.874 620 2HB HIS 68 1HB HIS 68 4.182 16.242 0.613 621 HD1 HIS 68 1HD HIS 68 6.202 16.605 2.078 622 HD2 HIS 68 2HD HIS 68 6.165 18.455 -1.538 623 HE1 HIS 68 1HE HIS 68 8.284 17.924 2.152 624 HE2 HIS 68 2HE HIS 68 8.393 19.049 -0.140 625 QB HIS 68 QB HIS 68 4.118 16.690 -0.130 626 HA PRO 69 HA PRO 69 8.454 12.477 -1.119 627 1HB PRO 69 2HB PRO 69 10.244 14.521 -0.131 628 2HB PRO 69 1HB PRO 69 10.347 13.554 -1.604 629 1HG PRO 69 2HG PRO 69 9.239 16.248 -1.214 630 2HG PRO 69 1HG PRO 69 9.777 15.467 -2.713 631 1HD PRO 69 2HD PRO 69 7.230 15.977 -2.230 632 2HD PRO 69 1HD PRO 69 7.697 14.471 -3.051 633 QB PRO 69 QB PRO 69 10.295 14.037 -0.867 634 QG PRO 69 QG PRO 69 9.508 15.857 -1.964 635 QD PRO 69 QD PRO 69 7.464 15.224 -2.640 636 H ALA 70 H ALA 70 8.301 14.931 1.442 637 HA ALA 70 HA ALA 70 9.409 13.043 3.278 638 1HB ALA 70 2HB ALA 70 9.969 15.350 3.564 639 2HB ALA 70 3HB ALA 70 9.083 14.709 4.968 640 3HB ALA 70 1HB ALA 70 8.240 15.736 3.797 641 MB ALA 70 QB ALA 70 9.097 15.265 4.110 642 H ALA 71 H ALA 71 6.225 13.922 2.508 643 HA ALA 71 HA ALA 71 5.052 12.810 4.811 644 1HB ALA 71 3HB ALA 71 4.136 12.999 2.010 645 2HB ALA 71 2HB ALA 71 3.049 12.616 3.358 646 3HB ALA 71 1HB ALA 71 3.805 14.225 3.245 647 MB ALA 71 QB ALA 71 3.663 13.280 2.871 648 H VAL 72 H VAL 72 5.936 11.753 1.648 649 HA VAL 72 HA VAL 72 5.013 9.081 1.660 650 HB VAL 72 HB VAL 72 7.549 9.738 0.242 651 1HG1 VAL 72 1HG1 VAL 72 6.481 7.627 -0.074 652 2HG1 VAL 72 3HG1 VAL 72 5.012 8.500 -0.561 653 3HG1 VAL 72 2HG1 VAL 72 6.485 8.604 -1.575 654 1HG2 VAL 72 3HG2 VAL 72 4.934 10.986 -0.567 655 2HG2 VAL 72 2HG2 VAL 72 6.436 11.790 -0.056 656 3HG2 VAL 72 1HG2 VAL 72 6.399 10.877 -1.568 657 MG1 VAL 72 QG1 VAL 72 5.993 8.244 -0.737 658 MG2 VAL 72 QG2 VAL 72 5.923 11.218 -0.730 659 QG VAL 72 QQG VAL 72 5.958 9.731 -0.733 660 H ALA 73 H ALA 73 8.066 10.588 2.522 661 HA ALA 73 HA ALA 73 9.353 8.177 3.161 662 1HB ALA 73 1HB ALA 73 10.035 10.948 4.005 663 2HB ALA 73 3HB ALA 73 10.977 9.440 4.200 664 3HB ALA 73 2HB ALA 73 10.613 10.030 2.556 665 MB ALA 73 QB ALA 73 10.541 10.140 3.587 666 H GLU 74 H GLU 74 7.645 10.535 5.145 667 HA GLU 74 HA GLU 74 8.167 9.379 7.682 668 1HB GLU 74 2HB GLU 74 6.872 11.501 7.374 669 2HB GLU 74 1HB GLU 74 5.536 10.553 6.734 670 1HG GLU 74 2HG GLU 74 5.588 9.292 8.944 671 2HG GLU 74 1HG GLU 74 6.619 10.594 9.524 672 QB GLU 74 QB GLU 74 6.204 11.027 7.054 673 QG GLU 74 QG GLU 74 6.104 9.943 9.234 674 H VAL 75 H VAL 75 5.716 8.774 5.291 675 HA VAL 75 HA VAL 75 4.508 6.566 6.424 676 HB VAL 75 HB VAL 75 4.828 7.497 3.565 677 1HG1 VAL 75 1HG1 VAL 75 3.184 5.154 4.505 678 2HG1 VAL 75 3HG1 VAL 75 3.160 5.886 2.890 679 3HG1 VAL 75 2HG1 VAL 75 4.628 5.108 3.473 680 1HG2 VAL 75 1HG2 VAL 75 2.479 7.411 5.444 681 2HG2 VAL 75 3HG2 VAL 75 3.405 8.842 4.992 682 3HG2 VAL 75 2HG2 VAL 75 2.437 7.997 3.782 683 MG1 VAL 75 QG1 VAL 75 3.657 5.383 3.623 684 MG2 VAL 75 QG2 VAL 75 2.774 8.083 4.740 685 QG VAL 75 QQG VAL 75 3.215 6.733 4.181 686 H MET 76 H MET 76 7.245 6.638 4.002 687 HA MET 76 HA MET 76 7.817 3.998 3.949 688 1HB MET 76 2HB MET 76 9.716 6.319 3.917 689 2HB MET 76 1HB MET 76 10.179 4.712 3.463 690 1HG MET 76 2HG MET 76 7.920 5.981 2.236 691 2HG MET 76 1HG MET 76 9.519 6.461 1.602 692 1HE MET 76 3HE MET 76 6.625 4.213 1.950 693 2HE MET 76 2HE MET 76 6.903 2.791 0.920 694 3HE MET 76 1HE MET 76 7.693 2.925 2.513 695 QB MET 76 QB MET 76 9.947 5.516 3.690 696 QG MET 76 QG MET 76 8.719 6.221 1.919 697 ME MET 76 QE MET 76 7.074 3.310 1.795 698 H SER 77 H SER 77 9.180 6.347 6.243 699 HA SER 77 HA SER 77 10.766 4.427 7.563 700 1HB SER 77 2HB SER 77 11.083 6.921 7.676 701 2HB SER 77 1HB SER 77 9.692 6.997 8.748 702 HG SER 77 HG SER 77 11.162 5.178 9.791 703 QB SER 77 QB SER 77 10.388 6.959 8.212 704 H HIS 78 H HIS 78 7.441 5.331 8.087 705 HA HIS 78 HA HIS 78 7.146 3.749 10.451 706 1HB HIS 78 2HB HIS 78 5.165 4.767 8.415 707 2HB HIS 78 1HB HIS 78 4.670 3.768 9.771 708 HD1 HIS 78 1HD HIS 78 3.670 6.708 9.371 709 HD2 HIS 78 2HD HIS 78 6.835 5.556 11.792 710 HE1 HIS 78 1HE HIS 78 3.909 8.527 11.077 711 HE2 HIS 78 2HE HIS 78 5.869 7.826 12.500 712 QB HIS 78 QB HIS 78 4.918 4.267 9.093 713 H ILE 79 H ILE 79 6.361 3.255 7.125 714 HA ILE 79 HA ILE 79 5.431 0.637 7.235 715 HB ILE 79 HB ILE 79 6.255 2.592 5.239 716 1HG1 ILE 79 2HG1 ILE 79 3.775 0.934 5.612 717 2HG1 ILE 79 1HG1 ILE 79 4.029 2.613 6.056 718 1HG2 ILE 79 3HG2 ILE 79 6.244 -0.265 4.542 719 2HG2 ILE 79 2HG2 ILE 79 5.808 0.961 3.338 720 3HG2 ILE 79 1HG2 ILE 79 7.393 0.988 4.138 721 1HD1 ILE 79 1HD1 ILE 79 4.368 3.093 3.643 722 2HD1 ILE 79 3HD1 ILE 79 3.783 1.448 3.312 723 3HD1 ILE 79 2HD1 ILE 79 2.750 2.627 4.146 724 MG ILE 79 QG2 ILE 79 6.482 0.561 4.006 725 MD ILE 79 QD1 ILE 79 3.634 2.389 3.700 726 QG ILE 79 QG1 ILE 79 3.902 1.773 5.834 727 H GLN 80 H GLN 80 8.689 1.709 6.358 728 HA GLN 80 HA GLN 80 9.772 -0.782 6.038 729 1HB GLN 80 2HB GLN 80 10.993 1.860 6.809 730 2HB GLN 80 1HB GLN 80 11.924 0.445 6.310 731 1HG GLN 80 2HG GLN 80 9.842 1.853 4.548 732 2HG GLN 80 1HG GLN 80 11.516 1.993 4.353 733 1HE2 GLN 80 1HE2 GLN 80 8.944 -0.072 4.064 734 2HE2 GLN 80 2HE2 GLN 80 9.829 -1.228 3.118 735 QB GLN 80 QB GLN 80 11.458 1.152 6.560 736 QG GLN 80 QG GLN 80 10.679 1.923 4.450 737 QE GLN 80 QE2 GLN 80 9.387 -0.650 3.591 738 H ARG 81 H ARG 81 8.693 0.596 8.968 739 HA ARG 81 HA ARG 81 10.273 -1.282 10.562 740 1HB ARG 81 2HB ARG 81 8.079 0.640 11.404 741 2HB ARG 81 1HB ARG 81 9.103 -0.278 12.488 742 1HG ARG 81 2HG ARG 81 9.898 1.980 10.697 743 2HG ARG 81 1HG ARG 81 9.869 1.916 12.465 744 1HD ARG 81 2HD ARG 81 11.663 0.329 12.497 745 2HD ARG 81 1HD ARG 81 11.621 0.178 10.744 746 HE ARG 81 HE ARG 81 12.291 2.701 12.073 747 1HH1 ARG 81 1HH1 ARG 81 13.075 0.136 9.723 748 2HH1 ARG 81 2HH1 ARG 81 14.371 0.964 9.044 749 1HH2 ARG 81 1HH2 ARG 81 14.147 3.801 11.150 750 2HH2 ARG 81 2HH2 ARG 81 15.037 3.075 9.904 751 QB ARG 81 QB ARG 81 8.591 0.181 11.946 752 QG ARG 81 QG ARG 81 9.883 1.948 11.581 753 QD ARG 81 QD ARG 81 11.642 0.253 11.621 754 QH1 ARG 81 QH1 ARG 81 13.723 0.550 9.383 755 QH2 ARG 81 QH2 ARG 81 14.592 3.438 10.527 756 H ASP 82 H ASP 82 8.589 -2.119 8.532 757 HA ASP 82 HA ASP 82 6.248 -3.210 8.753 758 1HB ASP 82 2HB ASP 82 7.427 -3.444 7.059 759 2HB ASP 82 1HB ASP 82 8.754 -4.439 7.636 760 QB ASP 82 QB ASP 82 8.090 -3.942 7.347 761 H ARG 83 H ARG 83 5.493 -5.216 9.042 762 HA ARG 83 HA ARG 83 5.716 -6.930 11.073 763 1HB ARG 83 2HB ARG 83 4.396 -5.737 12.868 764 2HB ARG 83 1HB ARG 83 6.047 -5.162 12.660 765 1HG ARG 83 2HG ARG 83 5.178 -3.365 11.226 766 2HG ARG 83 1HG ARG 83 3.536 -3.843 11.643 767 1HD ARG 83 2HD ARG 83 4.306 -3.686 14.102 768 2HD ARG 83 1HD ARG 83 5.675 -2.785 13.470 769 HE ARG 83 HE ARG 83 3.885 -1.284 12.485 770 1HH1 ARG 83 1HH1 ARG 83 3.652 -2.995 15.583 771 2HH1 ARG 83 2HH1 ARG 83 2.577 -1.896 16.289 772 1HH2 ARG 83 1HH2 ARG 83 2.292 0.176 13.422 773 2HH2 ARG 83 2HH2 ARG 83 1.757 -0.041 15.029 774 QB ARG 83 QB ARG 83 5.221 -5.449 12.764 775 QG ARG 83 QG ARG 83 4.357 -3.604 11.434 776 QD ARG 83 QD ARG 83 4.991 -3.235 13.786 777 QH1 ARG 83 QH1 ARG 83 3.114 -2.446 15.936 778 QH2 ARG 83 QH2 ARG 83 2.024 0.067 14.226 779 H ARG 84 H ARG 84 3.767 -4.505 9.397 780 HA ARG 84 HA ARG 84 1.484 -6.346 9.236 781 1HB ARG 84 2HB ARG 84 1.646 -3.423 8.623 782 2HB ARG 84 1HB ARG 84 0.255 -4.453 8.329 783 1HG ARG 84 2HG ARG 84 0.046 -4.841 10.734 784 2HG ARG 84 1HG ARG 84 1.444 -3.785 11.013 785 1HD ARG 84 2HD ARG 84 0.315 -1.936 9.969 786 2HD ARG 84 1HD ARG 84 -1.047 -2.966 9.553 787 HE ARG 84 HE ARG 84 -0.521 -2.877 12.337 788 1HH1 ARG 84 1HH1 ARG 84 -2.080 -1.132 9.672 789 2HH1 ARG 84 2HH1 ARG 84 -3.254 -0.381 10.680 790 1HH2 ARG 84 1HH2 ARG 84 -2.119 -1.785 13.677 791 2HH2 ARG 84 2HH2 ARG 84 -3.268 -0.735 12.987 792 QB ARG 84 QB ARG 84 0.951 -3.938 8.476 793 QG ARG 84 QG ARG 84 0.745 -4.313 10.873 794 QD ARG 84 QD ARG 84 -0.366 -2.451 9.761 795 QH1 ARG 84 QH1 ARG 84 -2.667 -0.756 10.176 796 QH2 ARG 84 QH2 ARG 84 -2.693 -1.260 13.332 797 H HIS 85 H HIS 85 4.085 -6.244 7.398 798 HA HIS 85 HA HIS 85 2.597 -6.722 4.960 799 1HB HIS 85 2HB HIS 85 5.350 -5.699 4.553 800 2HB HIS 85 1HB HIS 85 3.920 -5.370 3.607 801 HD1 HIS 85 1HD HIS 85 3.691 -2.874 3.428 802 HD2 HIS 85 2HD HIS 85 5.244 -4.023 7.092 803 HE1 HIS 85 1HE HIS 85 4.448 -0.819 4.611 804 HE2 HIS 85 2HE HIS 85 5.500 -1.640 6.667 805 QB HIS 85 QB HIS 85 4.635 -5.534 4.080 806 H SER 86 H SER 86 4.916 -7.674 3.638 807 HA SER 86 HA SER 86 5.681 -9.627 5.635 808 1HB SER 86 2HB SER 86 4.712 -10.259 3.452 809 2HB SER 86 1HB SER 86 6.227 -9.816 2.737 810 HG SER 86 HG SER 86 5.884 -12.094 3.360 811 QB SER 86 QB SER 86 5.470 -10.038 3.094 812 H ASN 87 H ASN 87 7.250 -7.674 3.389 813 HA ASN 87 HA ASN 87 9.496 -7.374 5.191 814 1HB ASN 87 2HB ASN 87 9.958 -8.381 2.393 815 2HB ASN 87 1HB ASN 87 11.285 -7.750 3.321 816 1HD2 ASN 87 1HD2 ASN 87 9.293 -10.384 2.586 817 2HD2 ASN 87 2HD2 ASN 87 9.976 -11.549 3.654 818 QB ASN 87 QB ASN 87 10.621 -8.066 2.857 819 QD ASN 87 QD2 ASN 87 9.634 -10.966 3.120 820 H VAL 88 H VAL 88 7.558 -6.040 3.160 821 HA VAL 88 HA VAL 88 7.598 -4.529 1.552 822 HB VAL 88 HB VAL 88 6.425 -3.642 3.257 823 1HG1 VAL 88 2HG1 VAL 88 7.992 -3.780 5.029 824 2HG1 VAL 88 1HG1 VAL 88 8.816 -2.290 4.428 825 3HG1 VAL 88 3HG1 VAL 88 7.093 -2.217 4.880 826 1HG2 VAL 88 3HG2 VAL 88 6.889 -2.128 1.374 827 2HG2 VAL 88 2HG2 VAL 88 6.494 -1.276 2.867 828 3HG2 VAL 88 1HG2 VAL 88 8.158 -1.374 2.327 829 MG1 VAL 88 QG1 VAL 88 7.967 -2.762 4.779 830 MG2 VAL 88 QG2 VAL 88 7.181 -1.593 2.189 831 QG VAL 88 QQG VAL 88 7.574 -2.177 3.484 832 H GLU 89 H GLU 89 8.930 -4.737 0.028 833 HA GLU 89 HA GLU 89 11.308 -3.123 0.199 834 1HB GLU 89 2HB GLU 89 10.544 -5.384 -1.558 835 2HB GLU 89 1HB GLU 89 11.803 -4.253 -2.033 836 1HG GLU 89 2HG GLU 89 12.872 -6.001 -1.053 837 2HG GLU 89 1HG GLU 89 12.894 -4.721 0.113 838 QB GLU 89 QB GLU 89 11.174 -4.818 -1.796 839 QG GLU 89 QG GLU 89 12.883 -5.361 -0.470 840 H ILE 90 H ILE 90 10.817 -1.350 -0.213 841 HA ILE 90 HA ILE 90 9.077 -0.113 -2.134 842 HB ILE 90 HB ILE 90 11.724 1.132 -1.587 843 1HG1 ILE 90 2HG1 ILE 90 11.234 0.272 0.589 844 2HG1 ILE 90 1HG1 ILE 90 10.951 2.004 0.599 845 1HG2 ILE 90 1HG2 ILE 90 10.017 2.427 -2.887 846 2HG2 ILE 90 3HG2 ILE 90 8.914 2.276 -1.507 847 3HG2 ILE 90 2HG2 ILE 90 10.370 3.196 -1.336 848 1HD1 ILE 90 1HD1 ILE 90 8.581 1.605 0.372 849 2HD1 ILE 90 3HD1 ILE 90 8.881 -0.134 0.381 850 3HD1 ILE 90 2HD1 ILE 90 9.244 0.833 1.825 851 MG ILE 90 QG2 ILE 90 9.767 2.633 -1.910 852 MD ILE 90 QD1 ILE 90 8.902 0.768 0.859 853 QG ILE 90 QG1 ILE 90 11.093 1.138 0.594 854 H LEU 91 H LEU 91 12.409 -0.096 -2.564 855 HA LEU 91 HA LEU 91 13.788 -0.355 -4.343 856 1HB LEU 91 2HB LEU 91 11.694 -2.333 -5.194 857 2HB LEU 91 1HB LEU 91 13.211 -2.131 -6.031 858 HG LEU 91 HG LEU 91 12.895 -3.017 -3.163 859 1HD1 LEU 91 2HD1 LEU 91 12.143 -4.715 -4.751 860 2HD1 LEU 91 1HD1 LEU 91 13.663 -4.563 -5.638 861 3HD1 LEU 91 3HD1 LEU 91 13.662 -5.194 -3.993 862 1HD2 LEU 91 2HD2 LEU 91 15.359 -2.822 -4.899 863 2HD2 LEU 91 1HD2 LEU 91 14.987 -1.796 -3.516 864 3HD2 LEU 91 3HD2 LEU 91 15.291 -3.515 -3.281 865 MD1 LEU 91 QD1 LEU 91 13.156 -4.824 -4.794 866 MD2 LEU 91 QD2 LEU 91 15.213 -2.711 -3.899 867 QB LEU 91 QB LEU 91 12.452 -2.232 -5.613 868 QD LEU 91 QQD LEU 91 14.184 -3.768 -4.346 869 H ALA 92 H ALA 92 10.791 1.066 -4.848 870 HA ALA 92 HA ALA 92 11.958 2.331 -7.206 871 1HB ALA 92 2HB ALA 92 10.388 0.736 -8.105 872 2HB ALA 92 3HB ALA 92 9.752 2.381 -8.282 873 3HB ALA 92 1HB ALA 92 9.131 1.333 -7.012 874 MB ALA 92 QB ALA 92 9.757 1.484 -7.799 875 H GLU 93 H GLU 93 12.113 4.422 -6.738 876 HA GLU 93 HA GLU 93 9.805 5.711 -5.507 877 1HB GLU 93 2HB GLU 93 12.650 6.340 -4.584 878 2HB GLU 93 1HB GLU 93 11.133 7.037 -4.030 879 1HG GLU 93 2HG GLU 93 10.419 5.109 -3.070 880 2HG GLU 93 1HG GLU 93 11.829 4.197 -3.647 881 QB GLU 93 QB GLU 93 11.892 6.689 -4.307 882 QG GLU 93 QG GLU 93 11.124 4.653 -3.358 883 H GLU 94 H GLU 94 9.174 7.048 -6.950 884 HA GLU 94 HA GLU 94 11.170 8.400 -8.608 885 1HB GLU 94 2HB GLU 94 9.359 8.369 -10.399 886 2HB GLU 94 1HB GLU 94 10.157 6.838 -10.040 887 1HG GLU 94 2HG GLU 94 8.248 6.164 -8.687 888 2HG GLU 94 1HG GLU 94 7.490 7.727 -8.988 889 QB GLU 94 QB GLU 94 9.758 7.604 -10.219 890 QG GLU 94 QG GLU 94 7.869 6.945 -8.837 891 H SER 95 H SER 95 11.138 10.527 -8.572 892 HA SER 95 HA SER 95 9.208 12.028 -7.125 893 1HB SER 95 2HB SER 95 11.292 12.986 -9.101 894 2HB SER 95 1HB SER 95 10.458 13.952 -7.876 895 HG SER 95 HG SER 95 12.705 12.673 -7.572 896 QB SER 95 QB SER 95 10.875 13.469 -8.489 897 H ILE 96 H ILE 96 7.392 12.825 -7.763 898 HA ILE 96 HA ILE 96 6.711 12.659 -10.641 899 HB ILE 96 HB ILE 96 4.488 12.125 -10.038 900 1HG1 ILE 96 2HG1 ILE 96 5.594 11.223 -7.385 901 2HG1 ILE 96 1HG1 ILE 96 4.825 12.782 -7.577 902 1HG2 ILE 96 1HG2 ILE 96 6.000 10.467 -10.952 903 2HG2 ILE 96 3HG2 ILE 96 6.649 10.127 -9.348 904 3HG2 ILE 96 2HG2 ILE 96 4.984 9.694 -9.738 905 1HD1 ILE 96 2HD1 ILE 96 3.415 10.242 -8.283 906 2HD1 ILE 96 1HD1 ILE 96 3.454 10.968 -6.650 907 3HD1 ILE 96 3HD1 ILE 96 2.819 11.892 -7.976 908 MG ILE 96 QG2 ILE 96 5.878 10.096 -10.012 909 MD ILE 96 QD1 ILE 96 3.229 11.034 -7.636 910 QG ILE 96 QG1 ILE 96 5.210 12.002 -7.481 911 H ALA 97 H ALA 97 4.728 13.663 -11.293 912 HA ALA 97 HA ALA 97 4.362 16.272 -10.043 913 1HB ALA 97 1HB ALA 97 4.857 16.261 -12.446 914 2HB ALA 97 2HB ALA 97 3.196 16.849 -12.086 915 3HB ALA 97 3HB ALA 97 3.445 15.196 -12.643 916 MB ALA 97 QB ALA 97 3.832 16.102 -12.392 917 H LYS 98 H LYS 98 3.337 13.516 -9.802 918 HA LYS 98 HA LYS 98 1.512 12.312 -9.155 919 1HB LYS 98 2HB LYS 98 2.096 14.051 -7.565 920 2HB LYS 98 1HB LYS 98 0.746 14.967 -8.180 921 1HG LYS 98 2HG LYS 98 0.006 12.302 -7.490 922 2HG LYS 98 1HG LYS 98 0.941 13.107 -6.268 923 1HD LYS 98 2HD LYS 98 -0.968 14.905 -7.228 924 2HD LYS 98 1HD LYS 98 -1.762 13.462 -6.512 925 1HE LYS 98 2HE LYS 98 -0.233 13.650 -4.747 926 2HE LYS 98 1HE LYS 98 0.385 15.161 -5.435 927 1HZ LYS 98 2HZ LYS 98 -2.473 14.790 -4.575 928 2HZ LYS 98 1HZ LYS 98 -1.328 15.625 -3.653 929 3HZ LYS 98 3HZ LYS 98 -1.786 16.194 -5.163 930 QB LYS 98 QB LYS 98 1.421 14.509 -7.873 931 QD LYS 98 QD LYS 98 -1.365 14.183 -6.870 932 QG LYS 98 QG LYS 98 0.473 12.704 -6.879 933 QE LYS 98 QE LYS 98 0.076 14.405 -5.091 934 QZ LYS 98 QZ LYS 98 -1.862 15.537 -4.464 935 H ARG 99 H ARG 99 -1.032 12.897 -8.886 936 HA ARG 99 HA ARG 99 -3.020 13.365 -9.842 937 1HB ARG 99 2HB ARG 99 -1.312 14.709 -11.862 938 2HB ARG 99 1HB ARG 99 -2.945 14.280 -12.364 939 1HG ARG 99 2HG ARG 99 -2.220 15.974 -9.972 940 2HG ARG 99 1HG ARG 99 -2.769 16.587 -11.541 941 1HD ARG 99 2HD ARG 99 -4.334 14.869 -9.601 942 2HD ARG 99 1HD ARG 99 -4.660 16.534 -10.069 943 HE ARG 99 HE ARG 99 -4.657 15.199 -12.417 944 1HH1 ARG 99 1HH1 ARG 99 -6.580 14.879 -9.449 945 2HH1 ARG 99 2HH1 ARG 99 -7.883 14.135 -10.267 946 1HH2 ARG 99 1HH2 ARG 99 -6.422 14.185 -13.448 947 2HH2 ARG 99 2HH2 ARG 99 -7.781 13.684 -12.533 948 QB ARG 99 QB ARG 99 -2.128 14.495 -12.113 949 QG ARG 99 QG ARG 99 -2.494 16.281 -10.756 950 QD ARG 99 QD ARG 99 -4.497 15.701 -9.835 951 QH1 ARG 99 QH1 ARG 99 -7.232 14.507 -9.858 952 QH2 ARG 99 QH2 ARG 99 -7.102 13.934 -12.990 953 H ARG 100 H ARG 100 -1.497 10.934 -10.000 954 HA ARG 100 HA ARG 100 -2.575 9.827 -12.425 955 1HB ARG 100 2HB ARG 100 -0.833 8.616 -10.298 956 2HB ARG 100 1HB ARG 100 -1.322 7.810 -11.794 957 1HG ARG 100 2HG ARG 100 -0.215 9.495 -13.117 958 2HG ARG 100 1HG ARG 100 0.167 10.399 -11.647 959 1HD ARG 100 2HD ARG 100 1.643 8.624 -10.907 960 2HD ARG 100 1HD ARG 100 1.140 7.599 -12.251 961 HE ARG 100 HE ARG 100 2.120 9.800 -13.465 962 1HH1 ARG 100 1HH1 ARG 100 3.472 7.544 -11.098 963 2HH1 ARG 100 2HH1 ARG 100 5.072 7.683 -11.591 964 1HH2 ARG 100 1HH2 ARG 100 4.388 10.045 -14.195 965 2HH2 ARG 100 2HH2 ARG 100 5.602 9.170 -13.398 966 QB ARG 100 QB ARG 100 -1.077 8.213 -11.046 967 QG ARG 100 QG ARG 100 -0.024 9.947 -12.382 968 QD ARG 100 QD ARG 100 1.391 8.112 -11.579 969 QH1 ARG 100 QH1 ARG 100 4.272 7.613 -11.344 970 QH2 ARG 100 QH2 ARG 100 4.995 9.607 -13.796 971 H PHE 101 H PHE 101 -2.945 9.186 -8.867 972 HA PHE 101 HA PHE 101 -5.397 7.891 -9.736 973 1HB PHE 101 2HB PHE 101 -3.570 7.113 -7.515 974 2HB PHE 101 1HB PHE 101 -5.270 6.654 -7.443 975 HD1 PHE 101 1HD PHE 101 -5.851 4.626 -8.340 976 HD2 PHE 101 2HD PHE 101 -2.426 6.614 -9.875 977 HE1 PHE 101 1HE PHE 101 -5.421 2.719 -9.847 978 HE2 PHE 101 2HE PHE 101 -1.993 4.715 -11.372 979 HZ PHE 101 HZ PHE 101 -3.485 2.774 -11.358 980 QB PHE 101 QB PHE 101 -4.420 6.883 -7.479 981 QD PHE 101 QD PHE 101 -4.138 5.620 -9.108 982 QE PHE 101 QE PHE 101 -3.707 3.717 -10.610 983 QR PHE 101 QR PHE 101 -3.835 4.290 -10.158 984 H ALA 102 H ALA 102 -4.404 10.399 -8.126 985 HA ALA 102 HA ALA 102 -5.380 12.207 -7.089 986 1HB ALA 102 3HB ALA 102 -6.817 12.104 -9.095 987 2HB ALA 102 1HB ALA 102 -7.597 12.861 -7.705 988 3HB ALA 102 2HB ALA 102 -8.008 11.206 -8.149 989 MB ALA 102 QB ALA 102 -7.474 12.057 -8.316 990 H GLY 103 H GLY 103 -6.542 9.246 -6.070 991 1HA GLY 103 1HA GLY 103 -8.130 9.436 -3.964 992 2HA GLY 103 2HA GLY 103 -6.690 10.265 -3.352 993 QA GLY 103 QA GLY 103 -7.410 9.851 -3.658 994 H TRP 104 H TRP 104 -6.574 8.285 -1.827 995 HA TRP 104 HA TRP 104 -5.114 6.229 -3.209 996 1HB TRP 104 2HB TRP 104 -4.101 6.942 -1.123 997 2HB TRP 104 1HB TRP 104 -5.595 6.718 -0.253 998 HD1 TRP 104 HD TRP 104 -2.454 4.828 -1.243 999 HE1 TRP 104 1HE TRP 104 -2.591 2.475 -0.321 1000 HE3 TRP 104 3HE TRP 104 -7.298 4.884 0.277 1001 HZ2 TRP 104 2HZ TRP 104 -4.606 0.850 0.992 1002 HZ3 TRP 104 3HZ TRP 104 -8.224 3.161 1.266 1003 HH2 TRP 104 HH TRP 104 -7.025 1.102 1.679 1004 QB TRP 104 QB TRP 104 -4.848 6.830 -0.688 1005 H HIS 105 H HIS 105 -5.690 4.141 -3.481 1006 HA HIS 105 HA HIS 105 -8.569 3.606 -3.138 1007 1HB HIS 105 2HB HIS 105 -6.621 2.967 -5.294 1008 2HB HIS 105 1HB HIS 105 -8.239 2.235 -5.248 1009 HD1 HIS 105 1HD HIS 105 -10.208 3.939 -5.846 1010 HD2 HIS 105 2HD HIS 105 -6.390 5.482 -6.244 1011 HE1 HIS 105 1HE HIS 105 -10.469 6.052 -7.178 1012 HE2 HIS 105 2HE HIS 105 -8.141 6.878 -7.545 1013 QB HIS 105 QB HIS 105 -7.430 2.601 -5.271 1014 H MET 106 H MET 106 -9.108 1.329 -2.812 1015 HA MET 106 HA MET 106 -6.833 -0.267 -1.863 1016 1HB MET 106 2HB MET 106 -8.287 0.521 0.009 1017 2HB MET 106 1HB MET 106 -9.650 -0.294 -0.743 1018 1HG MET 106 2HG MET 106 -8.639 -1.584 1.130 1019 2HG MET 106 1HG MET 106 -8.597 -2.456 -0.410 1020 1HE MET 106 3HE MET 106 -6.721 -4.115 0.634 1021 2HE MET 106 2HE MET 106 -5.136 -3.591 1.151 1022 3HE MET 106 1HE MET 106 -6.573 -3.242 2.167 1023 QB MET 106 QB MET 106 -8.969 0.113 -0.367 1024 QG MET 106 QG MET 106 -8.618 -2.020 0.360 1025 ME MET 106 QE MET 106 -6.143 -3.649 1.317 1026 H GLN 107 H GLN 107 -6.784 -2.363 -2.510 1027 HA GLN 107 HA GLN 107 -8.516 -2.957 -4.742 1028 1HB GLN 107 2HB GLN 107 -6.019 -3.449 -4.697 1029 2HB GLN 107 1HB GLN 107 -6.410 -4.804 -3.639 1030 1HG GLN 107 2HG GLN 107 -6.182 -5.499 -5.976 1031 2HG GLN 107 1HG GLN 107 -7.816 -5.771 -5.365 1032 1HE2 GLN 107 1HE2 GLN 107 -5.858 -3.781 -7.450 1033 2HE2 GLN 107 2HE2 GLN 107 -7.150 -3.060 -8.314 1034 QB GLN 107 QB GLN 107 -6.214 -4.127 -4.168 1035 QG GLN 107 QG GLN 107 -6.999 -5.635 -5.671 1036 QE GLN 107 QE2 GLN 107 -6.504 -3.421 -7.882 1037 H LEU 108 H LEU 108 -7.712 -4.534 -1.632 1038 HA LEU 108 HA LEU 108 -10.362 -5.661 -1.767 1039 1HB LEU 108 2HB LEU 108 -9.412 -7.864 -0.831 1040 2HB LEU 108 1HB LEU 108 -9.288 -7.542 -2.537 1041 HG LEU 108 HG LEU 108 -6.872 -6.866 -2.109 1042 1HD1 LEU 108 2HD1 LEU 108 -6.964 -6.461 0.269 1043 2HD1 LEU 108 1HD1 LEU 108 -7.336 -8.155 0.572 1044 3HD1 LEU 108 3HD1 LEU 108 -5.775 -7.708 -0.114 1045 1HD2 LEU 108 1HD2 LEU 108 -7.687 -9.701 -1.504 1046 2HD2 LEU 108 3HD2 LEU 108 -7.455 -8.998 -3.102 1047 3HD2 LEU 108 2HD2 LEU 108 -6.083 -9.182 -2.018 1048 MD1 LEU 108 QD1 LEU 108 -6.692 -7.442 0.242 1049 MD2 LEU 108 QD2 LEU 108 -7.075 -9.294 -2.208 1050 QB LEU 108 QB LEU 108 -9.350 -7.703 -1.684 1051 QD LEU 108 QQD LEU 108 -6.884 -8.368 -0.983 1052 H SER 109 H SER 109 -11.529 -5.272 -0.045 1053 HA SER 109 HA SER 109 -10.174 -4.308 2.276 1054 1HB SER 109 2HB SER 109 -12.607 -3.997 3.038 1055 2HB SER 109 1HB SER 109 -12.080 -3.051 1.648 1056 HG SER 109 HG SER 109 -14.132 -4.160 1.441 1057 QB SER 109 QB SER 109 -12.344 -3.524 2.343 1058 H CYS 110 H CYS 110 -12.800 -6.659 1.864 1059 HA CYS 110 HA CYS 110 -12.244 -7.953 4.372 1060 1HB CYS 110 2HB CYS 110 -14.118 -9.432 3.630 1061 2HB CYS 110 1HB CYS 110 -14.512 -7.710 3.628 1062 HG CYS 110 HG CYS 110 -15.749 -8.429 1.397 1063 QB CYS 110 QB CYS 110 -14.315 -8.571 3.629 1064 H SER 111 H SER 111 -10.251 -8.078 2.113 1065 HA SER 111 HA SER 111 -8.800 -9.419 1.080 1066 1HB SER 111 2HB SER 111 -9.862 -11.631 2.866 1067 2HB SER 111 1HB SER 111 -8.336 -11.662 1.974 1068 HG SER 111 HG SER 111 -8.696 -9.477 3.590 1069 QB SER 111 QB SER 111 -9.099 -11.646 2.420 1070 H GLU 112 H GLU 112 -11.357 -11.892 1.538 1071 HA GLU 112 HA GLU 112 -12.433 -11.374 -0.986 1072 1HB GLU 112 2HB GLU 112 -11.703 -13.178 -2.284 1073 2HB GLU 112 1HB GLU 112 -10.242 -12.693 -1.458 1074 1HG GLU 112 2HG GLU 112 -10.017 -14.900 -1.110 1075 2HG GLU 112 1HG GLU 112 -11.161 -14.634 0.208 1076 QB GLU 112 QB GLU 112 -10.972 -12.936 -1.871 1077 QG GLU 112 QG GLU 112 -10.589 -14.767 -0.451 1078 H ALA 113 H ALA 113 -14.350 -12.265 -1.205 1079 HA ALA 113 HA ALA 113 -15.349 -14.251 0.690 1080 1HB ALA 113 2HB ALA 113 -16.043 -12.039 1.559 1081 2HB ALA 113 3HB ALA 113 -17.436 -12.869 0.864 1082 3HB ALA 113 1HB ALA 113 -16.629 -11.587 -0.036 1083 MB ALA 113 QB ALA 113 -16.703 -12.165 0.796 1084 H ASP 114 H ASP 114 -14.324 -14.550 -1.746 1085 HA ASP 114 HA ASP 114 -16.500 -14.359 -3.694 1086 1HB ASP 114 2HB ASP 114 -14.618 -12.934 -4.146 1087 2HB ASP 114 1HB ASP 114 -13.522 -14.308 -4.069 1088 QB ASP 114 QB ASP 114 -14.070 -13.621 -4.107 1089 H MET 115 H MET 115 -13.542 -16.318 -3.150 1090 HA MET 115 HA MET 115 -14.781 -18.553 -4.458 1091 1HB MET 115 2HB MET 115 -12.190 -18.315 -2.918 1092 2HB MET 115 1HB MET 115 -12.737 -19.816 -3.649 1093 1HG MET 115 2HG MET 115 -12.165 -17.256 -5.121 1094 2HG MET 115 1HG MET 115 -11.077 -18.637 -5.023 1095 1HE MET 115 3HE MET 115 -11.524 -20.969 -6.224 1096 2HE MET 115 2HE MET 115 -13.032 -21.132 -5.323 1097 3HE MET 115 1HE MET 115 -13.021 -21.361 -7.070 1098 QB MET 115 QB MET 115 -12.464 -19.065 -3.284 1099 QG MET 115 QG MET 115 -11.621 -17.946 -5.072 1100 ME MET 115 QE MET 115 -12.526 -21.154 -6.205 1101 H ARG 116 H ARG 116 -13.923 -17.624 -1.180 1102 HA ARG 116 HA ARG 116 -14.746 -18.098 0.845 1103 1HB ARG 116 2HB ARG 116 -17.051 -19.269 -0.658 1104 2HB ARG 116 1HB ARG 116 -17.056 -18.858 1.061 1105 1HG ARG 116 2HG ARG 116 -16.709 -16.509 0.494 1106 2HG ARG 116 1HG ARG 116 -16.637 -16.928 -1.209 1107 1HD ARG 116 2HD ARG 116 -18.993 -17.254 0.621 1108 2HD ARG 116 1HD ARG 116 -18.793 -16.045 -0.653 1109 HE ARG 116 HE ARG 116 -18.735 -18.891 -1.361 1110 1HH1 ARG 116 1HH1 ARG 116 -20.349 -15.761 -1.600 1111 2HH1 ARG 116 2HH1 ARG 116 -21.409 -16.236 -2.827 1112 1HH2 ARG 116 1HH2 ARG 116 -20.193 -19.571 -3.010 1113 2HH2 ARG 116 2HH2 ARG 116 -21.327 -18.487 -3.659 1114 QB ARG 116 QB ARG 116 -17.053 -19.064 0.201 1115 QG ARG 116 QG ARG 116 -16.673 -16.719 -0.358 1116 QD ARG 116 QD ARG 116 -18.893 -16.649 -0.016 1117 QH1 ARG 116 QH1 ARG 116 -20.879 -15.998 -2.214 1118 QH2 ARG 116 QH2 ARG 116 -20.760 -19.029 -3.334 1119 H SER 117 H SER 117 -14.485 -20.754 -1.305 1120 HA SER 117 HA SER 117 -14.645 -22.796 0.711 1121 1HB SER 117 2HB SER 117 -15.287 -23.087 -1.724 1122 2HB SER 117 1HB SER 117 -13.574 -23.002 -2.121 1123 HG SER 117 HG SER 117 -13.326 -24.835 -0.654 1124 QB SER 117 QB SER 117 -14.431 -23.044 -1.922 1125 H LEU 118 H LEU 118 -12.593 -20.517 0.708 1126 HA LEU 118 HA LEU 118 -10.084 -22.002 0.733 1127 1HB LEU 118 2HB LEU 118 -10.647 -19.045 0.890 1128 2HB LEU 118 1HB LEU 118 -9.058 -19.762 0.902 1129 HG LEU 118 HG LEU 118 -10.988 -20.003 -1.403 1130 1HD1 LEU 118 1HD1 LEU 118 -8.642 -18.157 -0.998 1131 2HD1 LEU 118 3HD1 LEU 118 -9.530 -18.373 -2.503 1132 3HD1 LEU 118 2HD1 LEU 118 -10.342 -17.691 -1.094 1133 1HD2 LEU 118 3HD2 LEU 118 -8.049 -20.644 -1.137 1134 2HD2 LEU 118 2HD2 LEU 118 -9.362 -21.810 -1.287 1135 3HD2 LEU 118 1HD2 LEU 118 -8.993 -20.727 -2.624 1136 MD1 LEU 118 QD1 LEU 118 -9.505 -18.073 -1.532 1137 MD2 LEU 118 QD2 LEU 118 -8.802 -21.060 -1.683 1138 QB LEU 118 QB LEU 118 -9.853 -19.404 0.896 1139 QD LEU 118 QQD LEU 118 -9.153 -19.567 -1.607 1140 H GLY 119 H GLY 119 -12.409 -21.845 2.777 1141 1HA GLY 119 1HA GLY 119 -10.688 -21.206 5.079 1142 2HA GLY 119 2HA GLY 119 -11.798 -22.561 5.052 1143 QA GLY 119 QA GLY 119 -11.243 -21.884 5.066 1144 H LEU 120 H LEU 120 -13.495 -20.289 3.513 1145 HA LEU 120 HA LEU 120 -14.335 -18.824 5.904 1146 1HB LEU 120 2HB LEU 120 -13.952 -17.665 3.670 1147 2HB LEU 120 1HB LEU 120 -15.349 -18.583 3.109 1148 HG LEU 120 HG LEU 120 -16.759 -17.457 4.775 1149 1HD1 LEU 120 1HD1 LEU 120 -14.303 -15.801 5.311 1150 2HD1 LEU 120 3HD1 LEU 120 -15.928 -15.432 5.883 1151 3HD1 LEU 120 2HD1 LEU 120 -15.115 -16.891 6.441 1152 1HD2 LEU 120 3HD2 LEU 120 -15.276 -15.641 2.879 1153 2HD2 LEU 120 2HD2 LEU 120 -16.701 -16.620 2.517 1154 3HD2 LEU 120 1HD2 LEU 120 -16.828 -15.271 3.638 1155 MD1 LEU 120 QD1 LEU 120 -15.115 -16.041 5.878 1156 MD2 LEU 120 QD2 LEU 120 -16.268 -15.844 3.011 1157 QB LEU 120 QB LEU 120 -14.651 -18.124 3.389 1158 QD LEU 120 QQD LEU 120 -15.692 -15.943 4.445 1159 H ALA 121 H ALA 121 -15.666 -20.832 3.321 1160 HA ALA 121 HA ALA 121 -18.061 -21.060 4.844 1161 1HB ALA 121 2HB ALA 121 -17.521 -21.961 2.017 1162 2HB ALA 121 1HB ALA 121 -19.085 -22.013 2.831 1163 3HB ALA 121 3HB ALA 121 -18.317 -20.461 2.493 1164 MB ALA 121 QB ALA 121 -18.308 -21.479 2.447 1165 H GLU 122 H GLU 122 -17.372 -22.412 6.394 1166 HA GLU 122 HA GLU 122 -15.884 -24.791 6.025 1167 1HB GLU 122 2HB GLU 122 -15.985 -23.553 8.158 1168 2HB GLU 122 1HB GLU 122 -17.664 -24.031 8.342 1169 1HG GLU 122 2HG GLU 122 -16.191 -25.395 9.716 1170 2HG GLU 122 1HG GLU 122 -17.008 -26.364 8.490 1171 QB GLU 122 QB GLU 122 -16.825 -23.792 8.250 1172 QG GLU 122 QG GLU 122 -16.600 -25.880 9.103 1173 H SER 123 H SER 123 -19.288 -24.457 7.019 1174 HA SER 123 HA SER 123 -21.145 -25.676 6.684 1175 1HB SER 123 2HB SER 123 -20.714 -25.442 4.304 1176 2HB SER 123 1HB SER 123 -19.586 -26.790 4.329 1177 HG SER 123 HG SER 123 -22.378 -26.764 4.428 1178 QB SER 123 QB SER 123 -20.150 -26.116 4.316 1179 H ARG 124 H ARG 124 -22.124 -27.619 7.354 1180 HA ARG 124 HA ARG 124 -20.532 -29.929 7.808 1181 1HB ARG 124 2HB ARG 124 -20.940 -30.139 10.219 1182 2HB ARG 124 1HB ARG 124 -20.002 -28.701 9.881 1183 1HG ARG 124 2HG ARG 124 -22.960 -28.639 10.288 1184 2HG ARG 124 1HG ARG 124 -21.839 -28.550 11.651 1185 1HD ARG 124 2HD ARG 124 -21.940 -26.627 9.315 1186 2HD ARG 124 1HD ARG 124 -22.613 -26.308 10.918 1187 HE ARG 124 HE ARG 124 -19.837 -27.022 10.952 1188 1HH1 ARG 124 1HH1 ARG 124 -22.019 -24.263 10.490 1189 2HH1 ARG 124 2HH1 ARG 124 -20.881 -23.121 11.032 1190 1HH2 ARG 124 1HH2 ARG 124 -18.298 -25.455 11.666 1191 2HH2 ARG 124 2HH2 ARG 124 -18.731 -23.815 11.739 1192 QB ARG 124 QB ARG 124 -20.471 -29.420 10.050 1193 QG ARG 124 QG ARG 124 -22.399 -28.595 10.969 1194 QD ARG 124 QD ARG 124 -22.276 -26.468 10.116 1195 QH1 ARG 124 QH1 ARG 124 -21.450 -23.692 10.761 1196 QH2 ARG 124 QH2 ARG 124 -18.514 -24.635 11.703 1197 H GLN 125 H GLN 125 -21.694 -31.543 7.307 1198 HA GLN 125 HA GLN 125 -24.485 -31.697 7.968 1199 1HB GLN 125 2HB GLN 125 -25.128 -32.258 5.683 1200 2HB GLN 125 1HB GLN 125 -24.515 -30.616 5.810 1201 1HG GLN 125 2HG GLN 125 -22.922 -32.955 4.748 1202 2HG GLN 125 1HG GLN 125 -23.837 -31.843 3.731 1203 1HE2 GLN 125 1HE2 GLN 125 -23.119 -29.732 3.560 1204 2HE2 GLN 125 2HE2 GLN 125 -21.526 -29.227 3.980 1205 QB GLN 125 QB GLN 125 -24.821 -31.437 5.746 1206 QG GLN 125 QG GLN 125 -23.379 -32.399 4.239 1207 QE GLN 125 QE2 GLN 125 -22.323 -29.479 3.770 No H/Q in entry = 1207 Start of MODEL 9 1 H1 LEU 5 2HT LEU 5 -3.665 33.614 -25.842 2 H2 LEU 5 1HT LEU 5 -2.756 32.304 -26.302 3 H3 LEU 5 3HT LEU 5 -4.092 32.765 -27.236 4 HA LEU 5 HA LEU 5 -5.542 32.185 -25.361 5 1HB LEU 5 2HB LEU 5 -4.724 30.408 -27.009 6 2HB LEU 5 1HB LEU 5 -3.505 29.991 -25.826 7 HG LEU 5 HG LEU 5 -5.353 29.416 -24.237 8 1HD1 LEU 5 3HD1 LEU 5 -7.056 29.738 -26.700 9 2HD1 LEU 5 2HD1 LEU 5 -7.580 29.020 -25.178 10 3HD1 LEU 5 1HD1 LEU 5 -7.131 30.724 -25.240 11 1HD2 LEU 5 3HD2 LEU 5 -4.159 27.696 -25.493 12 2HD2 LEU 5 2HD2 LEU 5 -5.858 27.275 -25.304 13 3HD2 LEU 5 1HD2 LEU 5 -5.272 27.899 -26.845 14 MD1 LEU 5 QD1 LEU 5 -7.256 29.827 -25.706 15 MD2 LEU 5 QD2 LEU 5 -5.096 27.623 -25.881 16 QB LEU 5 QB LEU 5 -4.115 30.200 -26.418 17 QD LEU 5 QQD LEU 5 -6.176 28.725 -25.793 18 H GLU 6 H GLU 6 -5.584 31.365 -23.097 19 HA GLU 6 HA GLU 6 -3.256 32.284 -21.710 20 1HB GLU 6 2HB GLU 6 -5.532 32.976 -20.916 21 2HB GLU 6 1HB GLU 6 -5.807 31.249 -20.639 22 1HG GLU 6 2HG GLU 6 -5.327 32.602 -18.668 23 2HG GLU 6 1HG GLU 6 -4.240 31.217 -18.859 24 QB GLU 6 QB GLU 6 -5.670 32.112 -20.777 25 QG GLU 6 QG GLU 6 -4.784 31.910 -18.763 26 H ALA 7 H ALA 7 -2.217 31.027 -20.185 27 HA ALA 7 HA ALA 7 -2.041 28.234 -20.959 28 1HB ALA 7 3HB ALA 7 -0.380 29.812 -19.002 29 2HB ALA 7 1HB ALA 7 0.057 29.480 -20.683 30 3HB ALA 7 2HB ALA 7 -0.086 28.154 -19.523 31 MB ALA 7 QB ALA 7 -0.136 29.149 -19.736 32 H ASP 8 H ASP 8 -2.791 26.642 -19.783 33 HA ASP 8 HA ASP 8 -4.486 27.287 -17.542 34 1HB ASP 8 2HB ASP 8 -5.133 25.575 -19.248 35 2HB ASP 8 1HB ASP 8 -3.783 24.582 -18.717 36 QB ASP 8 QB ASP 8 -4.458 25.079 -18.982 37 H VAL 9 H VAL 9 -4.079 26.669 -15.414 38 HA VAL 9 HA VAL 9 -1.565 26.784 -14.608 39 HB VAL 9 HB VAL 9 -2.338 25.991 -12.351 40 1HG1 VAL 9 1HG1 VAL 9 -3.965 28.118 -13.744 41 2HG1 VAL 9 3HG1 VAL 9 -3.810 27.932 -12.000 42 3HG1 VAL 9 2HG1 VAL 9 -2.396 28.344 -12.973 43 1HG2 VAL 9 2HG2 VAL 9 -4.919 25.785 -13.838 44 2HG2 VAL 9 1HG2 VAL 9 -4.033 24.455 -13.095 45 3HG2 VAL 9 3HG2 VAL 9 -4.772 25.703 -12.069 46 MG1 VAL 9 QG1 VAL 9 -3.390 28.131 -12.906 47 MG2 VAL 9 QG2 VAL 9 -4.575 25.314 -13.001 48 QG VAL 9 QQG VAL 9 -3.982 26.723 -12.953 49 H THR 10 H THR 10 -3.474 23.936 -15.268 50 HA THR 10 HA THR 10 -3.130 21.702 -15.290 51 HB THR 10 HB THR 10 -1.195 20.944 -16.396 52 HG1 THR 10 1HG THR 10 -0.228 23.436 -15.737 53 1HG2 THR 10 1HG2 THR 10 -2.463 23.357 -17.664 54 2HG2 THR 10 3HG2 THR 10 -1.549 22.143 -18.559 55 3HG2 THR 10 2HG2 THR 10 -3.037 21.690 -17.736 56 MG THR 10 QG2 THR 10 -2.349 22.396 -17.986 57 H MET 11 H MET 11 -1.796 19.771 -14.701 58 HA MET 11 HA MET 11 -0.519 20.309 -12.175 59 1HB MET 11 2HB MET 11 -1.691 17.815 -13.389 60 2HB MET 11 1HB MET 11 -0.565 17.722 -12.046 61 1HG MET 11 2HG MET 11 -2.761 17.560 -11.156 62 2HG MET 11 1HG MET 11 -2.144 19.161 -10.788 63 1HE MET 11 3HE MET 11 -5.226 18.309 -10.554 64 2HE MET 11 2HE MET 11 -4.649 19.920 -10.146 65 3HE MET 11 1HE MET 11 -6.022 19.730 -11.235 66 QB MET 11 QB MET 11 -1.128 17.768 -12.718 67 QG MET 11 QG MET 11 -2.452 18.361 -10.972 68 ME MET 11 QE MET 11 -5.299 19.320 -10.645 69 H THR 12 H THR 12 1.368 21.120 -12.889 70 HA THR 12 HA THR 12 2.888 19.953 -14.997 71 HB THR 12 HB THR 12 4.550 21.450 -14.216 72 HG1 THR 12 1HG THR 12 3.116 23.128 -12.678 73 1HG2 THR 12 1HG2 THR 12 3.013 22.120 -15.962 74 2HG2 THR 12 3HG2 THR 12 1.827 22.640 -14.763 75 3HG2 THR 12 2HG2 THR 12 3.342 23.522 -14.943 76 MG THR 12 QG2 THR 12 2.727 22.761 -15.223 77 H GLY 13 H GLY 13 3.215 20.088 -11.507 78 1HA GLY 13 1HA GLY 13 4.861 17.696 -11.762 79 2HA GLY 13 2HA GLY 13 3.870 18.051 -10.347 80 QA GLY 13 QA GLY 13 4.366 17.874 -11.055 81 H SER 14 H SER 14 4.714 19.264 -8.745 82 HA SER 14 HA SER 14 7.371 20.359 -9.263 83 1HB SER 14 2HB SER 14 5.457 21.205 -7.083 84 2HB SER 14 1HB SER 14 6.932 22.024 -7.598 85 HG SER 14 HG SER 14 5.952 22.303 -9.643 86 QB SER 14 QB SER 14 6.194 21.614 -7.341 87 H ASP 15 H ASP 15 5.613 19.329 -6.219 88 HA ASP 15 HA ASP 15 8.098 18.209 -5.360 89 1HB ASP 15 2HB ASP 15 7.338 18.920 -3.205 90 2HB ASP 15 1HB ASP 15 7.654 20.311 -4.224 91 QB ASP 15 QB ASP 15 7.496 19.615 -3.714 92 H LEU 16 H LEU 16 6.586 16.616 -6.648 93 HA LEU 16 HA LEU 16 5.416 15.000 -4.542 94 1HB LEU 16 2HB LEU 16 4.720 14.912 -7.419 95 2HB LEU 16 1HB LEU 16 3.934 14.034 -6.110 96 HG LEU 16 HG LEU 16 2.408 15.586 -6.599 97 1HD1 LEU 16 1HD1 LEU 16 3.976 17.021 -4.538 98 2HD1 LEU 16 3HD1 LEU 16 2.315 17.398 -5.000 99 3HD1 LEU 16 2HD1 LEU 16 2.705 15.821 -4.309 100 1HD2 LEU 16 3HD2 LEU 16 4.576 17.516 -7.297 101 2HD2 LEU 16 2HD2 LEU 16 3.426 16.624 -8.312 102 3HD2 LEU 16 1HD2 LEU 16 2.834 17.923 -7.274 103 MD1 LEU 16 QD1 LEU 16 2.999 16.747 -4.616 104 MD2 LEU 16 QD2 LEU 16 3.612 17.354 -7.628 105 QB LEU 16 QB LEU 16 4.327 14.473 -6.764 106 QD LEU 16 QQD LEU 16 3.305 17.051 -6.122 107 H VAL 17 H VAL 17 5.596 12.902 -4.669 108 HA VAL 17 HA VAL 17 7.603 11.889 -6.256 109 HB VAL 17 HB VAL 17 7.836 12.236 -3.282 110 1HG1 VAL 17 2HG1 VAL 17 9.021 10.165 -4.940 111 2HG1 VAL 17 1HG1 VAL 17 9.711 10.600 -3.323 112 3HG1 VAL 17 3HG1 VAL 17 8.028 9.989 -3.454 113 1HG2 VAL 17 1HG2 VAL 17 9.053 13.791 -4.813 114 2HG2 VAL 17 3HG2 VAL 17 10.093 12.902 -3.713 115 3HG2 VAL 17 2HG2 VAL 17 9.998 12.397 -5.384 116 MG1 VAL 17 QG1 VAL 17 8.920 10.251 -3.906 117 MG2 VAL 17 QG2 VAL 17 9.715 13.030 -4.637 118 QG VAL 17 QQG VAL 17 9.317 11.641 -4.271 119 H SER 18 H SER 18 7.375 9.546 -6.116 120 HA SER 18 HA SER 18 5.179 8.527 -4.503 121 1HB SER 18 2HB SER 18 4.398 7.095 -6.388 122 2HB SER 18 1HB SER 18 4.179 8.816 -6.699 123 HG SER 18 HG SER 18 6.543 7.623 -7.501 124 QB SER 18 QB SER 18 4.288 7.955 -6.544 125 H CYS 19 H CYS 19 6.081 7.126 -3.215 126 HA CYS 19 HA CYS 19 8.299 5.530 -4.166 127 1HB CYS 19 2HB CYS 19 6.910 5.636 -1.473 128 2HB CYS 19 1HB CYS 19 8.302 4.622 -1.832 129 HG CYS 19 HG CYS 19 10.032 6.377 -1.107 130 QB CYS 19 QB CYS 19 7.606 5.129 -1.653 131 H CYS 20 H CYS 20 8.046 3.499 -4.905 132 HA CYS 20 HA CYS 20 5.310 2.453 -4.853 133 1HB CYS 20 2HB CYS 20 6.005 3.374 -7.070 134 2HB CYS 20 1HB CYS 20 7.395 2.302 -7.046 135 HG CYS 20 HG CYS 20 6.176 0.076 -7.590 136 QB CYS 20 QB CYS 20 6.700 2.838 -7.058 137 H TYR 21 H TYR 21 5.235 0.308 -4.055 138 HA TYR 21 HA TYR 21 7.873 -0.865 -3.777 139 1HB TYR 21 2HB TYR 21 7.732 -1.181 -1.481 140 2HB TYR 21 1HB TYR 21 7.324 0.491 -1.798 141 HD1 TYR 21 1HD TYR 21 5.645 -2.780 -0.940 142 HD2 TYR 21 2HD TYR 21 5.702 1.469 -0.699 143 HE1 TYR 21 1HE TYR 21 3.826 -2.838 0.721 144 HE2 TYR 21 2HE TYR 21 3.927 1.397 0.929 145 HH TYR 21 HH TYR 21 2.076 -0.178 1.634 146 QB TYR 21 QB TYR 21 7.528 -0.345 -1.639 147 QD TYR 21 QD TYR 21 5.673 -0.656 -0.819 148 QE TYR 21 QE TYR 21 3.876 -0.721 0.825 149 QR TYR 21 QR TYR 21 4.775 -0.688 0.003 150 H ARG 22 H ARG 22 7.768 -3.066 -3.116 151 HA ARG 22 HA ARG 22 5.121 -4.224 -3.495 152 1HB ARG 22 2HB ARG 22 5.795 -5.828 -5.007 153 2HB ARG 22 1HB ARG 22 7.074 -4.665 -5.299 154 1HG ARG 22 2HG ARG 22 7.397 -6.916 -3.351 155 2HG ARG 22 1HG ARG 22 7.771 -7.081 -5.059 156 1HD ARG 22 2HD ARG 22 9.465 -5.381 -4.894 157 2HD ARG 22 1HD ARG 22 8.993 -5.025 -3.228 158 HE ARG 22 HE ARG 22 10.069 -6.923 -2.506 159 1HH1 ARG 22 1HH1 ARG 22 10.053 -6.919 -6.048 160 2HH1 ARG 22 2HH1 ARG 22 11.222 -8.147 -6.174 161 1HH2 ARG 22 1HH2 ARG 22 11.595 -8.513 -2.674 162 2HH2 ARG 22 2HH2 ARG 22 12.149 -9.141 -4.167 163 QB ARG 22 QB ARG 22 6.434 -5.247 -5.153 164 QG ARG 22 QG ARG 22 7.584 -6.998 -4.205 165 QD ARG 22 QD ARG 22 9.229 -5.203 -4.061 166 QH1 ARG 22 QH1 ARG 22 10.637 -7.533 -6.111 167 QH2 ARG 22 QH2 ARG 22 11.872 -8.827 -3.420 168 H SER 23 H SER 23 4.681 -5.974 -2.236 169 HA SER 23 HA SER 23 6.683 -6.645 -0.382 170 1HB SER 23 2HB SER 23 4.874 -6.410 1.492 171 2HB SER 23 1HB SER 23 5.748 -4.986 0.939 172 HG SER 23 HG SER 23 3.768 -5.054 -0.647 173 QB SER 23 QB SER 23 5.311 -5.698 1.215 174 H LEU 24 H LEU 24 5.899 -8.597 0.907 175 HA LEU 24 HA LEU 24 4.113 -10.169 -0.851 176 1HB LEU 24 2HB LEU 24 6.577 -11.122 0.607 177 2HB LEU 24 1HB LEU 24 5.390 -12.235 -0.015 178 HG LEU 24 HG LEU 24 7.275 -12.160 -1.492 179 1HD1 LEU 24 3HD1 LEU 24 5.160 -12.485 -2.552 180 2HD1 LEU 24 2HD1 LEU 24 4.951 -10.742 -2.742 181 3HD1 LEU 24 1HD1 LEU 24 6.239 -11.573 -3.606 182 1HD2 LEU 24 2HD2 LEU 24 8.152 -9.910 -0.943 183 2HD2 LEU 24 1HD2 LEU 24 7.990 -10.154 -2.688 184 3HD2 LEU 24 3HD2 LEU 24 6.790 -9.205 -1.821 185 MD1 LEU 24 QD1 LEU 24 5.450 -11.600 -2.967 186 MD2 LEU 24 QD2 LEU 24 7.644 -9.756 -1.817 187 QB LEU 24 QB LEU 24 5.983 -11.678 0.296 188 QD LEU 24 QQD LEU 24 6.547 -10.678 -2.392 189 H ALA 25 H ALA 25 2.778 -8.905 0.911 190 HA ALA 25 HA ALA 25 1.891 -8.921 3.188 191 1HB ALA 25 3HB ALA 25 0.223 -10.818 1.524 192 2HB ALA 25 1HB ALA 25 0.245 -9.055 1.368 193 3HB ALA 25 2HB ALA 25 -0.319 -9.768 2.852 194 MB ALA 25 QB ALA 25 0.050 -9.880 1.915 195 H ALA 26 H ALA 26 2.623 -9.729 5.085 196 HA ALA 26 HA ALA 26 3.946 -12.136 5.143 197 1HB ALA 26 3HB ALA 26 4.510 -10.171 6.426 198 2HB ALA 26 2HB ALA 26 3.011 -10.345 7.342 199 3HB ALA 26 1HB ALA 26 4.282 -11.574 7.490 200 MB ALA 26 QB ALA 26 3.935 -10.697 7.086 201 HA PRO 27 HA PRO 27 0.783 -15.103 6.462 202 1HB PRO 27 2HB PRO 27 2.350 -16.592 8.131 203 2HB PRO 27 1HB PRO 27 2.467 -16.703 6.362 204 1HG PRO 27 2HG PRO 27 3.993 -14.828 8.176 205 2HG PRO 27 1HG PRO 27 4.722 -16.075 7.083 206 1HD PRO 27 2HD PRO 27 4.608 -13.637 6.354 207 2HD PRO 27 1HD PRO 27 3.871 -14.820 5.235 208 QB PRO 27 QB PRO 27 2.409 -16.648 7.247 209 QG PRO 27 QG PRO 27 4.358 -15.452 7.630 210 QD PRO 27 QD PRO 27 4.239 -14.228 5.794 211 H ASP 28 H ASP 28 2.411 -13.068 8.404 212 HA ASP 28 HA ASP 28 1.347 -13.633 11.021 213 1HB ASP 28 2HB ASP 28 2.690 -11.185 9.897 214 2HB ASP 28 1HB ASP 28 2.315 -11.439 11.590 215 QB ASP 28 QB ASP 28 2.503 -11.312 10.744 216 H LEU 29 H LEU 29 0.164 -12.229 8.246 217 HA LEU 29 HA LEU 29 -1.202 -10.050 9.311 218 1HB LEU 29 2HB LEU 29 -1.217 -11.411 6.726 219 2HB LEU 29 1HB LEU 29 -2.510 -10.264 7.087 220 HG LEU 29 HG LEU 29 0.445 -9.696 7.143 221 1HD1 LEU 29 1HD1 LEU 29 -0.461 -10.115 4.917 222 2HD1 LEU 29 3HD1 LEU 29 -1.723 -8.899 5.247 223 3HD1 LEU 29 2HD1 LEU 29 0.014 -8.439 5.153 224 1HD2 LEU 29 3HD2 LEU 29 -1.981 -7.950 7.546 225 2HD2 LEU 29 2HD2 LEU 29 -0.678 -8.265 8.697 226 3HD2 LEU 29 1HD2 LEU 29 -0.354 -7.344 7.239 227 MD1 LEU 29 QD1 LEU 29 -0.723 -9.151 5.106 228 MD2 LEU 29 QD2 LEU 29 -1.004 -7.853 7.827 229 QB LEU 29 QB LEU 29 -1.863 -10.837 6.907 230 QD LEU 29 QQD LEU 29 -0.864 -8.502 6.467 231 H THR 30 H THR 30 -3.089 -9.594 9.719 232 HA THR 30 HA THR 30 -5.146 -11.623 10.023 233 HB THR 30 HB THR 30 -5.607 -9.682 11.694 234 HG1 THR 30 1HG THR 30 -3.722 -8.857 12.402 235 1HG2 THR 30 2HG2 THR 30 -4.339 -12.319 12.001 236 2HG2 THR 30 1HG2 THR 30 -4.872 -11.365 13.429 237 3HG2 THR 30 3HG2 THR 30 -6.039 -11.792 12.171 238 MG THR 30 QG2 THR 30 -5.083 -11.826 12.533 239 H LEU 31 H LEU 31 -7.059 -11.009 9.323 240 HA LEU 31 HA LEU 31 -7.463 -8.990 7.393 241 1HB LEU 31 2HB LEU 31 -8.888 -11.004 7.924 242 2HB LEU 31 1HB LEU 31 -9.288 -10.017 9.350 243 HG LEU 31 HG LEU 31 -10.437 -8.382 8.030 244 1HD1 LEU 31 1HD1 LEU 31 -9.720 -10.012 5.600 245 2HD1 LEU 31 3HD1 LEU 31 -10.791 -8.602 5.665 246 3HD1 LEU 31 2HD1 LEU 31 -9.088 -8.416 6.050 247 1HD2 LEU 31 1HD2 LEU 31 -11.746 -10.291 8.753 248 2HD2 LEU 31 3HD2 LEU 31 -12.327 -9.703 7.198 249 3HD2 LEU 31 2HD2 LEU 31 -11.330 -11.157 7.269 250 MD1 LEU 31 QD1 LEU 31 -9.867 -9.010 5.771 251 MD2 LEU 31 QD2 LEU 31 -11.801 -10.384 7.740 252 QB LEU 31 QB LEU 31 -9.088 -10.511 8.637 253 QD LEU 31 QQD LEU 31 -10.834 -9.697 6.756 254 H ARG 32 H ARG 32 -8.103 -8.942 10.891 255 HA ARG 32 HA ARG 32 -9.347 -6.424 10.709 256 1HB ARG 32 2HB ARG 32 -9.651 -7.792 12.715 257 2HB ARG 32 1HB ARG 32 -7.949 -7.592 13.119 258 1HG ARG 32 2HG ARG 32 -9.389 -6.103 14.463 259 2HG ARG 32 1HG ARG 32 -8.260 -5.220 13.425 260 1HD ARG 32 2HD ARG 32 -10.487 -4.194 13.411 261 2HD ARG 32 1HD ARG 32 -10.019 -4.766 11.815 262 HE ARG 32 HE ARG 32 -11.511 -6.719 13.217 263 1HH1 ARG 32 1HH1 ARG 32 -11.918 -3.669 11.420 264 2HH1 ARG 32 2HH1 ARG 32 -13.530 -4.026 10.988 265 1HH2 ARG 32 1HH2 ARG 32 -13.698 -7.162 12.571 266 2HH2 ARG 32 2HH2 ARG 32 -14.555 -6.017 11.629 267 QB ARG 32 QB ARG 32 -8.800 -7.692 12.917 268 QG ARG 32 QG ARG 32 -8.825 -5.661 13.944 269 QD ARG 32 QD ARG 32 -10.253 -4.480 12.613 270 QH1 ARG 32 QH1 ARG 32 -12.724 -3.847 11.204 271 QH2 ARG 32 QH2 ARG 32 -14.127 -6.590 12.100 272 H ASP 33 H ASP 33 -6.032 -7.351 10.925 273 HA ASP 33 HA ASP 33 -5.075 -4.759 11.420 274 1HB ASP 33 2HB ASP 33 -3.727 -7.228 10.363 275 2HB ASP 33 1HB ASP 33 -2.880 -5.688 10.412 276 QB ASP 33 QB ASP 33 -3.303 -6.458 10.388 277 H LEU 34 H LEU 34 -5.809 -6.532 8.368 278 HA LEU 34 HA LEU 34 -4.745 -4.411 6.696 279 1HB LEU 34 2HB LEU 34 -6.944 -6.392 6.070 280 2HB LEU 34 1HB LEU 34 -6.375 -5.206 4.931 281 HG LEU 34 HG LEU 34 -5.467 -7.337 4.370 282 1HD1 LEU 34 1HD1 LEU 34 -3.996 -5.439 4.011 283 2HD1 LEU 34 3HD1 LEU 34 -3.314 -5.648 5.626 284 3HD1 LEU 34 2HD1 LEU 34 -3.088 -6.893 4.395 285 1HD2 LEU 34 2HD2 LEU 34 -5.745 -8.193 6.633 286 2HD2 LEU 34 1HD2 LEU 34 -4.181 -8.668 5.881 287 3HD2 LEU 34 3HD2 LEU 34 -4.257 -7.354 7.068 288 MD1 LEU 34 QD1 LEU 34 -3.466 -5.993 4.677 289 MD2 LEU 34 QD2 LEU 34 -4.727 -8.072 6.527 290 QB LEU 34 QB LEU 34 -6.660 -5.799 5.500 291 QD LEU 34 QQD LEU 34 -4.097 -7.033 5.602 292 H LEU 35 H LEU 35 -7.740 -5.049 8.128 293 HA LEU 35 HA LEU 35 -9.187 -2.954 6.922 294 1HB LEU 35 2HB LEU 35 -9.640 -4.670 9.332 295 2HB LEU 35 1HB LEU 35 -10.728 -3.345 8.993 296 HG LEU 35 HG LEU 35 -11.400 -5.715 8.160 297 1HD1 LEU 35 2HD1 LEU 35 -12.462 -3.565 7.514 298 2HD1 LEU 35 1HD1 LEU 35 -11.299 -3.437 6.193 299 3HD1 LEU 35 3HD1 LEU 35 -12.470 -4.760 6.216 300 1HD2 LEU 35 2HD2 LEU 35 -9.132 -6.141 7.140 301 2HD2 LEU 35 1HD2 LEU 35 -10.494 -6.397 6.003 302 3HD2 LEU 35 3HD2 LEU 35 -9.506 -4.934 5.960 303 MD1 LEU 35 QD1 LEU 35 -12.077 -3.921 6.641 304 MD2 LEU 35 QD2 LEU 35 -9.711 -5.824 6.368 305 QB LEU 35 QB LEU 35 -10.184 -4.007 9.162 306 QD LEU 35 QQD LEU 35 -10.894 -4.872 6.504 307 H ASP 36 H ASP 36 -7.505 -3.148 9.927 308 HA ASP 36 HA ASP 36 -8.039 -0.415 10.641 309 1HB ASP 36 2HB ASP 36 -5.891 -2.280 11.634 310 2HB ASP 36 1HB ASP 36 -5.890 -0.585 12.090 311 QB ASP 36 QB ASP 36 -5.890 -1.433 11.862 312 H ILE 37 H ILE 37 -5.473 -1.938 8.841 313 HA ILE 37 HA ILE 37 -3.819 0.266 8.405 314 HB ILE 37 HB ILE 37 -4.385 -2.159 6.682 315 1HG1 ILE 37 2HG1 ILE 37 -1.837 -1.458 8.127 316 2HG1 ILE 37 1HG1 ILE 37 -3.136 -2.321 8.933 317 1HG2 ILE 37 2HG2 ILE 37 -2.289 -0.040 6.183 318 2HG2 ILE 37 1HG2 ILE 37 -2.408 -1.578 5.328 319 3HG2 ILE 37 3HG2 ILE 37 -3.695 -0.381 5.174 320 1HD1 ILE 37 2HD1 ILE 37 -1.704 -3.249 6.446 321 2HD1 ILE 37 1HD1 ILE 37 -1.374 -3.806 8.093 322 3HD1 ILE 37 3HD1 ILE 37 -2.923 -4.150 7.340 323 MG ILE 37 QG2 ILE 37 -2.797 -0.667 5.562 324 MD ILE 37 QD1 ILE 37 -2.001 -3.735 7.293 325 QG ILE 37 QG1 ILE 37 -2.486 -1.889 8.530 326 H VAL 38 H VAL 38 -6.389 -0.979 6.262 327 HA VAL 38 HA VAL 38 -6.261 1.082 4.406 328 HB VAL 38 HB VAL 38 -7.499 -1.007 3.889 329 1HG1 VAL 38 1HG1 VAL 38 -8.477 -1.419 5.991 330 2HG1 VAL 38 3HG1 VAL 38 -9.636 -0.107 5.754 331 3HG1 VAL 38 2HG1 VAL 38 -9.650 -1.522 4.681 332 1HG2 VAL 38 3HG2 VAL 38 -9.251 1.438 3.670 333 2HG2 VAL 38 2HG2 VAL 38 -8.039 0.902 2.497 334 3HG2 VAL 38 1HG2 VAL 38 -9.482 -0.062 2.771 335 MG1 VAL 38 QG1 VAL 38 -9.254 -1.016 5.476 336 MG2 VAL 38 QG2 VAL 38 -8.924 0.759 2.979 337 QG VAL 38 QQG VAL 38 -9.089 -0.128 4.227 338 H GLU 39 H GLU 39 -8.488 0.891 7.179 339 HA GLU 39 HA GLU 39 -9.777 3.290 6.821 340 1HB GLU 39 2HB GLU 39 -9.415 1.333 8.950 341 2HB GLU 39 1HB GLU 39 -9.697 2.957 9.554 342 1HG GLU 39 2HG GLU 39 -11.751 1.580 9.306 343 2HG GLU 39 1HG GLU 39 -11.762 3.108 8.443 344 QB GLU 39 QB GLU 39 -9.556 2.145 9.252 345 QG GLU 39 QG GLU 39 -11.757 2.344 8.874 346 H THR 40 H THR 40 -6.821 2.682 8.709 347 HA THR 40 HA THR 40 -6.564 5.361 9.597 348 HB THR 40 HB THR 40 -4.477 3.167 9.416 349 HG1 THR 40 1HG THR 40 -5.891 2.364 10.768 350 1HG2 THR 40 1HG2 THR 40 -4.535 5.677 11.125 351 2HG2 THR 40 3HG2 THR 40 -3.325 4.396 11.221 352 3HG2 THR 40 2HG2 THR 40 -3.454 5.376 9.769 353 MG THR 40 QG2 THR 40 -3.771 5.150 10.705 354 H SER 41 H SER 41 -5.345 3.596 6.814 355 HA SER 41 HA SER 41 -3.319 5.328 6.028 356 1HB SER 41 2HB SER 41 -3.612 2.989 5.220 357 2HB SER 41 1HB SER 41 -4.980 3.531 4.252 358 HG SER 41 HG SER 41 -3.524 3.950 2.798 359 QB SER 41 QB SER 41 -4.296 3.260 4.736 360 H GLN 42 H GLN 42 -6.687 5.156 4.830 361 HA GLN 42 HA GLN 42 -6.535 7.200 2.902 362 1HB GLN 42 2HB GLN 42 -8.880 6.441 4.599 363 2HB GLN 42 1HB GLN 42 -8.965 7.404 3.138 364 1HG GLN 42 2HG GLN 42 -8.652 5.663 1.778 365 2HG GLN 42 1HG GLN 42 -7.552 4.885 2.913 366 1HE2 GLN 42 1HE2 GLN 42 -9.494 5.034 5.110 367 2HE2 GLN 42 2HE2 GLN 42 -10.576 3.754 4.710 368 QB GLN 42 QB GLN 42 -8.923 6.923 3.869 369 QG GLN 42 QG GLN 42 -8.102 5.274 2.345 370 QE GLN 42 QE2 GLN 42 -10.035 4.394 4.910 371 H ALA 43 H ALA 43 -7.459 7.370 6.272 372 HA ALA 43 HA ALA 43 -8.231 10.049 6.275 373 1HB ALA 43 2HB ALA 43 -8.264 9.832 8.670 374 2HB ALA 43 3HB ALA 43 -7.197 8.418 8.577 375 3HB ALA 43 1HB ALA 43 -8.823 8.326 7.911 376 MB ALA 43 QB ALA 43 -8.095 8.859 8.386 377 H HIS 44 H HIS 44 -5.116 8.582 6.667 378 HA HIS 44 HA HIS 44 -3.843 11.125 7.354 379 1HB HIS 44 2HB HIS 44 -2.950 8.979 8.333 380 2HB HIS 44 1HB HIS 44 -2.730 8.487 6.644 381 HD1 HIS 44 1HD HIS 44 -0.384 8.350 6.153 382 HD2 HIS 44 2HD HIS 44 -1.189 11.692 8.465 383 HE1 HIS 44 1HE HIS 44 1.777 9.550 6.352 384 HE2 HIS 44 2HE HIS 44 1.372 11.118 8.148 385 QB HIS 44 QB HIS 44 -2.840 8.733 7.488 386 H ASN 45 H ASN 45 -3.984 8.890 4.640 387 HA ASN 45 HA ASN 45 -2.113 10.338 3.129 388 1HB ASN 45 2HB ASN 45 -4.070 8.183 2.374 389 2HB ASN 45 1HB ASN 45 -3.064 8.974 1.165 390 1HD2 ASN 45 1HD2 ASN 45 -2.053 6.992 0.738 391 2HD2 ASN 45 2HD2 ASN 45 -0.898 6.298 1.814 392 QB ASN 45 QB ASN 45 -3.567 8.579 1.769 393 QD ASN 45 QD2 ASN 45 -1.476 6.645 1.276 394 H ALA 46 H ALA 46 -5.646 10.393 3.145 395 HA ALA 46 HA ALA 46 -5.882 12.217 0.998 396 1HB ALA 46 2HB ALA 46 -8.124 12.646 1.880 397 2HB ALA 46 3HB ALA 46 -7.677 11.828 3.376 398 3HB ALA 46 1HB ALA 46 -7.777 10.911 1.870 399 MB ALA 46 QB ALA 46 -7.860 11.795 2.375 400 H ARG 47 H ARG 47 -5.369 12.572 4.448 401 HA ARG 47 HA ARG 47 -5.695 15.377 4.546 402 1HB ARG 47 2HB ARG 47 -5.774 13.617 6.415 403 2HB ARG 47 1HB ARG 47 -4.009 13.727 6.297 404 1HG ARG 47 2HG ARG 47 -3.968 15.968 6.979 405 2HG ARG 47 1HG ARG 47 -5.728 16.114 6.858 406 1HD ARG 47 2HD ARG 47 -4.225 14.342 8.771 407 2HD ARG 47 1HD ARG 47 -5.010 15.877 9.172 408 HE ARG 47 HE ARG 47 -7.042 14.516 8.146 409 1HH1 ARG 47 1HH1 ARG 47 -4.716 13.594 10.630 410 2HH1 ARG 47 2HH1 ARG 47 -5.725 12.421 11.347 411 1HH2 ARG 47 1HH2 ARG 47 -8.429 12.908 9.120 412 2HH2 ARG 47 2HH2 ARG 47 -7.888 12.055 10.496 413 QB ARG 47 QB ARG 47 -4.892 13.672 6.356 414 QG ARG 47 QG ARG 47 -4.848 16.041 6.918 415 QD ARG 47 QD ARG 47 -4.617 15.109 8.971 416 QH1 ARG 47 QH1 ARG 47 -5.221 13.008 10.989 417 QH2 ARG 47 QH2 ARG 47 -8.158 12.481 9.808 418 H ALA 48 H ALA 48 -2.906 13.167 4.310 419 HA ALA 48 HA ALA 48 -1.153 15.364 4.217 420 1HB ALA 48 3HB ALA 48 -0.445 13.240 5.199 421 2HB ALA 48 1HB ALA 48 0.620 13.869 3.935 422 3HB ALA 48 2HB ALA 48 -0.473 12.513 3.580 423 MB ALA 48 QB ALA 48 -0.099 13.207 4.238 424 H GLN 49 H GLN 49 -3.179 14.188 1.925 425 HA GLN 49 HA GLN 49 -3.603 14.892 -0.221 426 1HB GLN 49 2HB GLN 49 -0.875 16.174 -0.106 427 2HB GLN 49 1HB GLN 49 -2.110 16.513 -1.351 428 1HG GLN 49 2HG GLN 49 -3.314 17.759 0.144 429 2HG GLN 49 1HG GLN 49 -2.698 16.734 1.465 430 1HE2 GLN 49 1HE2 GLN 49 -0.792 17.120 2.379 431 2HE2 GLN 49 2HE2 GLN 49 0.118 18.562 2.239 432 QB GLN 49 QB GLN 49 -1.493 16.343 -0.729 433 QG GLN 49 QG GLN 49 -3.006 17.246 0.804 434 QE GLN 49 QE2 GLN 49 -0.337 17.841 2.309 435 H LEU 50 H LEU 50 -1.988 12.621 0.710 436 HA LEU 50 HA LEU 50 -0.434 11.722 -1.521 437 1HB LEU 50 2HB LEU 50 -1.124 10.715 1.186 438 2HB LEU 50 1HB LEU 50 -0.542 9.582 -0.009 439 HG LEU 50 HG LEU 50 1.539 10.679 -0.180 440 1HD1 LEU 50 2HD1 LEU 50 0.496 12.810 1.662 441 2HD1 LEU 50 1HD1 LEU 50 2.157 12.660 1.101 442 3HD1 LEU 50 3HD1 LEU 50 0.868 13.003 -0.049 443 1HD2 LEU 50 1HD2 LEU 50 1.235 9.194 1.729 444 2HD2 LEU 50 3HD2 LEU 50 2.438 10.456 1.979 445 3HD2 LEU 50 2HD2 LEU 50 0.844 10.607 2.730 446 MD1 LEU 50 QD1 LEU 50 1.174 12.824 0.905 447 MD2 LEU 50 QD2 LEU 50 1.506 10.086 2.146 448 QB LEU 50 QB LEU 50 -0.833 10.148 0.588 449 QD LEU 50 QQD LEU 50 1.340 11.455 1.525 450 H THR 51 H THR 51 -1.109 10.597 -3.132 451 HA THR 51 HA THR 51 -3.793 9.450 -3.102 452 HB THR 51 HB THR 51 -3.839 10.057 -5.525 453 HG1 THR 51 1HG THR 51 -1.818 10.365 -6.261 454 1HG2 THR 51 3HG2 THR 51 -4.673 11.503 -3.743 455 2HG2 THR 51 2HG2 THR 51 -3.081 12.289 -3.674 456 3HG2 THR 51 1HG2 THR 51 -4.075 12.441 -5.132 457 MG THR 51 QG2 THR 51 -3.943 12.078 -4.183 458 H GLY 52 H GLY 52 -4.052 7.411 -4.441 459 1HA GLY 52 1HA GLY 52 -2.502 5.688 -3.049 460 2HA GLY 52 2HA GLY 52 -1.687 5.794 -4.605 461 QA GLY 52 QA GLY 52 -2.094 5.741 -3.827 462 H ALA 53 H ALA 53 -2.103 3.595 -4.208 463 HA ALA 53 HA ALA 53 -4.658 2.486 -4.270 464 1HB ALA 53 1HB ALA 53 -4.714 3.188 -6.640 465 2HB ALA 53 2HB ALA 53 -4.662 1.432 -6.515 466 3HB ALA 53 3HB ALA 53 -3.206 2.329 -6.932 467 MB ALA 53 QB ALA 53 -4.194 2.316 -6.696 468 H LEU 54 H LEU 54 -4.551 0.150 -4.164 469 HA LEU 54 HA LEU 54 -1.915 -0.961 -4.337 470 1HB LEU 54 2HB LEU 54 -1.599 -1.659 -2.128 471 2HB LEU 54 1HB LEU 54 -2.238 -0.040 -1.999 472 HG LEU 54 HG LEU 54 -4.497 -1.202 -1.516 473 1HD1 LEU 54 3HD1 LEU 54 -2.589 -3.470 -0.960 474 2HD1 LEU 54 2HD1 LEU 54 -4.255 -3.416 -0.398 475 3HD1 LEU 54 1HD1 LEU 54 -3.900 -3.465 -2.129 476 1HD2 LEU 54 3HD2 LEU 54 -3.206 0.082 0.104 477 2HD2 LEU 54 2HD2 LEU 54 -3.949 -1.331 0.863 478 3HD2 LEU 54 1HD2 LEU 54 -2.228 -1.340 0.473 479 MD1 LEU 54 QD1 LEU 54 -3.581 -3.450 -1.162 480 MD2 LEU 54 QD2 LEU 54 -3.128 -0.863 0.480 481 QB LEU 54 QB LEU 54 -1.919 -0.849 -2.063 482 QD LEU 54 QQD LEU 54 -3.354 -2.157 -0.341 483 H PHE 55 H PHE 55 -1.842 -3.043 -4.704 484 HA PHE 55 HA PHE 55 -4.419 -4.365 -5.122 485 1HB PHE 55 2HB PHE 55 -2.003 -4.463 -6.942 486 2HB PHE 55 1HB PHE 55 -3.488 -5.377 -7.175 487 HD1 PHE 55 1HD PHE 55 -5.651 -4.038 -7.489 488 HD2 PHE 55 2HD PHE 55 -1.771 -2.307 -7.807 489 HE1 PHE 55 1HE PHE 55 -6.600 -2.139 -8.734 490 HE2 PHE 55 2HE PHE 55 -2.716 -0.408 -9.050 491 HZ PHE 55 HZ PHE 55 -5.134 -0.321 -9.512 492 QB PHE 55 QB PHE 55 -2.746 -4.920 -7.059 493 QD PHE 55 QD PHE 55 -3.711 -3.172 -7.648 494 QE PHE 55 QE PHE 55 -4.658 -1.273 -8.892 495 QR PHE 55 QR PHE 55 -4.374 -1.842 -8.518 496 H TYR 56 H TYR 56 -4.526 -5.877 -3.733 497 HA TYR 56 HA TYR 56 -2.170 -7.374 -2.873 498 1HB TYR 56 2HB TYR 56 -3.690 -6.338 -1.183 499 2HB TYR 56 1HB TYR 56 -5.033 -7.265 -1.781 500 HD1 TYR 56 1HD TYR 56 -4.035 -10.031 -1.848 501 HD2 TYR 56 2HD TYR 56 -3.186 -6.929 0.933 502 HE1 TYR 56 1HE TYR 56 -3.591 -11.716 -0.106 503 HE2 TYR 56 2HE TYR 56 -2.726 -8.598 2.663 504 HH TYR 56 HH TYR 56 -3.368 -10.926 3.148 505 QB TYR 56 QB TYR 56 -4.362 -6.802 -1.482 506 QD TYR 56 QD TYR 56 -3.611 -8.480 -0.458 507 QE TYR 56 QE TYR 56 -3.158 -10.157 1.278 508 QR TYR 56 QR TYR 56 -3.384 -9.319 0.410 509 H SER 57 H SER 57 -1.867 -9.148 -4.205 510 HA SER 57 HA SER 57 -4.278 -10.498 -5.218 511 1HB SER 57 2HB SER 57 -1.706 -10.096 -6.740 512 2HB SER 57 1HB SER 57 -3.195 -10.819 -7.348 513 HG SER 57 HG SER 57 -4.130 -8.908 -7.449 514 QB SER 57 QB SER 57 -2.450 -10.458 -7.044 515 H GLN 58 H GLN 58 -4.288 -12.212 -3.845 516 HA GLN 58 HA GLN 58 -3.967 -14.328 -3.214 517 1HB GLN 58 2HB GLN 58 -3.578 -14.717 -5.630 518 2HB GLN 58 1HB GLN 58 -1.865 -14.435 -5.399 519 1HG GLN 58 2HG GLN 58 -2.356 -16.807 -5.578 520 2HG GLN 58 1HG GLN 58 -1.718 -16.409 -3.983 521 1HE2 GLN 58 1HE2 GLN 58 -2.619 -18.228 -3.025 522 2HE2 GLN 58 2HE2 GLN 58 -4.323 -18.383 -2.789 523 QB GLN 58 QB GLN 58 -2.721 -14.576 -5.514 524 QG GLN 58 QG GLN 58 -2.037 -16.608 -4.780 525 QE GLN 58 QE2 GLN 58 -3.471 -18.305 -2.907 526 H GLY 59 H GLY 59 -1.687 -12.060 -2.742 527 1HA GLY 59 1HA GLY 59 0.239 -13.789 -1.390 528 2HA GLY 59 2HA GLY 59 -0.668 -12.651 -0.398 529 QA GLY 59 QA GLY 59 -0.214 -13.220 -0.894 530 H VAL 60 H VAL 60 0.225 -11.878 -3.685 531 HA VAL 60 HA VAL 60 2.488 -10.392 -2.717 532 HB VAL 60 HB VAL 60 2.959 -9.683 -4.974 533 1HG1 VAL 60 3HG1 VAL 60 3.715 -11.888 -4.453 534 2HG1 VAL 60 2HG1 VAL 60 2.177 -12.580 -4.978 535 3HG1 VAL 60 1HG1 VAL 60 3.243 -11.804 -6.148 536 1HG2 VAL 60 3HG2 VAL 60 0.314 -10.903 -5.805 537 2HG2 VAL 60 2HG2 VAL 60 0.721 -9.186 -5.797 538 3HG2 VAL 60 1HG2 VAL 60 1.532 -10.278 -6.919 539 MG1 VAL 60 QG1 VAL 60 3.045 -12.091 -5.193 540 MG2 VAL 60 QG2 VAL 60 0.856 -10.122 -6.173 541 QG VAL 60 QQG VAL 60 1.950 -11.107 -5.683 542 H PHE 61 H PHE 61 2.603 -8.381 -2.288 543 HA PHE 61 HA PHE 61 0.049 -6.943 -2.105 544 1HB PHE 61 2HB PHE 61 1.739 -7.926 -0.298 545 2HB PHE 61 1HB PHE 61 2.476 -6.369 -0.569 546 HD1 PHE 61 1HD PHE 61 1.808 -7.184 1.924 547 HD2 PHE 61 2HD PHE 61 -0.735 -5.402 -0.962 548 HE1 PHE 61 1HE PHE 61 0.440 -6.378 3.708 549 HE2 PHE 61 2HE PHE 61 -2.164 -4.554 0.857 550 HZ PHE 61 HZ PHE 61 -1.531 -5.048 3.213 551 QB PHE 61 QB PHE 61 2.108 -7.147 -0.434 552 QD PHE 61 QD PHE 61 0.537 -6.293 0.481 553 QE PHE 61 QE PHE 61 -0.862 -5.466 2.282 554 QR PHE 61 QR PHE 61 -0.436 -5.713 1.748 555 H PHE 62 H PHE 62 0.155 -5.423 -3.860 556 HA PHE 62 HA PHE 62 2.695 -4.015 -4.185 557 1HB PHE 62 2HB PHE 62 1.977 -5.126 -6.221 558 2HB PHE 62 1HB PHE 62 0.397 -4.336 -6.131 559 HD1 PHE 62 1HD PHE 62 3.986 -3.871 -6.777 560 HD2 PHE 62 2HD PHE 62 0.109 -2.136 -6.974 561 HE1 PHE 62 1HE PHE 62 4.865 -2.074 -8.196 562 HE2 PHE 62 2HE PHE 62 0.985 -0.330 -8.390 563 HZ PHE 62 HZ PHE 62 3.356 -0.300 -9.004 564 QB PHE 62 QB PHE 62 1.187 -4.731 -6.176 565 QD PHE 62 QD PHE 62 2.047 -3.003 -6.876 566 QE PHE 62 QE PHE 62 2.925 -1.202 -8.293 567 QR PHE 62 QR PHE 62 2.660 -1.742 -7.868 568 H GLN 63 H GLN 63 2.743 -1.991 -3.374 569 HA GLN 63 HA GLN 63 0.227 -0.475 -3.170 570 1HB GLN 63 2HB GLN 63 0.941 -1.876 -1.085 571 2HB GLN 63 1HB GLN 63 2.198 -0.681 -0.912 572 1HG GLN 63 2HG GLN 63 -0.769 -0.142 -0.816 573 2HG GLN 63 1HG GLN 63 0.286 -0.360 0.550 574 1HE2 GLN 63 1HE2 GLN 63 2.430 1.339 -0.611 575 2HE2 GLN 63 2HE2 GLN 63 1.803 2.948 -0.513 576 QB GLN 63 QB GLN 63 1.569 -1.278 -0.998 577 QG GLN 63 QG GLN 63 -0.241 -0.251 -0.133 578 QE GLN 63 QE2 GLN 63 2.117 2.144 -0.562 579 H TRP 64 H TRP 64 0.670 1.648 -3.857 580 HA TRP 64 HA TRP 64 3.249 2.637 -3.111 581 1HB TRP 64 2HB TRP 64 3.876 3.526 -5.176 582 2HB TRP 64 1HB TRP 64 3.379 1.846 -5.521 583 HD1 TRP 64 HD TRP 64 3.451 5.100 -6.897 584 HE1 TRP 64 1HE TRP 64 1.661 5.476 -8.641 585 HE3 TRP 64 3HE TRP 64 0.425 1.169 -5.754 586 HZ2 TRP 64 2HZ TRP 64 -0.762 4.265 -9.444 587 HZ3 TRP 64 3HZ TRP 64 -1.651 0.883 -7.045 588 HH2 TRP 64 HH TRP 64 -2.202 2.389 -8.862 589 QB TRP 64 QB TRP 64 3.628 2.686 -5.348 590 H LEU 65 H LEU 65 3.273 5.137 -3.468 591 HA LEU 65 HA LEU 65 0.611 6.284 -3.384 592 1HB LEU 65 2HB LEU 65 1.004 7.459 -1.294 593 2HB LEU 65 1HB LEU 65 0.977 5.729 -1.061 594 HG LEU 65 HG LEU 65 3.561 7.155 -1.397 595 1HD1 LEU 65 3HD1 LEU 65 1.928 6.867 1.121 596 2HD1 LEU 65 2HD1 LEU 65 3.633 7.343 1.093 597 3HD1 LEU 65 1HD1 LEU 65 2.413 8.362 0.332 598 1HD2 LEU 65 2HD2 LEU 65 3.611 4.713 -1.406 599 2HD2 LEU 65 1HD2 LEU 65 4.410 5.339 0.037 600 3HD2 LEU 65 3HD2 LEU 65 2.782 4.676 0.152 601 MD1 LEU 65 QD1 LEU 65 2.658 7.524 0.848 602 MD2 LEU 65 QD2 LEU 65 3.601 4.909 -0.406 603 QB LEU 65 QB LEU 65 0.990 6.594 -1.178 604 QD LEU 65 QQD LEU 65 3.129 6.217 0.221 605 H GLU 66 H GLU 66 0.519 8.305 -4.051 606 HA GLU 66 HA GLU 66 2.934 9.645 -5.054 607 1HB GLU 66 2HB GLU 66 0.032 10.439 -5.337 608 2HB GLU 66 1HB GLU 66 1.407 11.009 -6.247 609 1HG GLU 66 2HG GLU 66 1.532 8.895 -7.422 610 2HG GLU 66 1HG GLU 66 0.172 8.282 -6.470 611 QB GLU 66 QB GLU 66 0.719 10.724 -5.792 612 QG GLU 66 QG GLU 66 0.852 8.589 -6.946 613 H GLY 67 H GLY 67 3.680 11.320 -3.697 614 1HA GLY 67 1HA GLY 67 2.591 12.047 -1.282 615 2HA GLY 67 2HA GLY 67 1.810 13.073 -2.498 616 QA GLY 67 QA GLY 67 2.200 12.560 -1.890 617 H HIS 68 H HIS 68 3.124 14.670 -0.914 618 HA HIS 68 HA HIS 68 5.499 15.518 -2.283 619 1HB HIS 68 2HB HIS 68 4.266 17.208 -1.055 620 2HB HIS 68 1HB HIS 68 4.390 16.340 0.446 621 HD1 HIS 68 1HD HIS 68 6.611 16.554 1.776 622 HD2 HIS 68 2HD HIS 68 6.285 18.525 -1.745 623 HE1 HIS 68 1HE HIS 68 8.702 17.889 1.719 624 HE2 HIS 68 2HE HIS 68 8.392 19.378 -0.332 625 QB HIS 68 QB HIS 68 4.328 16.774 -0.304 626 HA PRO 69 HA PRO 69 8.418 12.386 -1.156 627 1HB PRO 69 2HB PRO 69 10.387 14.273 -0.264 628 2HB PRO 69 1HB PRO 69 10.361 13.331 -1.747 629 1HG PRO 69 2HG PRO 69 9.498 16.119 -1.293 630 2HG PRO 69 1HG PRO 69 9.968 15.312 -2.799 631 1HD PRO 69 2HD PRO 69 7.447 16.011 -2.312 632 2HD PRO 69 1HD PRO 69 7.820 14.508 -3.178 633 QB PRO 69 QB PRO 69 10.374 13.802 -1.005 634 QG PRO 69 QG PRO 69 9.733 15.716 -2.046 635 QD PRO 69 QD PRO 69 7.634 15.259 -2.745 636 H ALA 70 H ALA 70 8.458 14.994 1.238 637 HA ALA 70 HA ALA 70 9.396 13.191 3.214 638 1HB ALA 70 3HB ALA 70 9.896 15.600 3.268 639 2HB ALA 70 1HB ALA 70 9.229 14.932 4.776 640 3HB ALA 70 2HB ALA 70 8.191 15.859 3.664 641 MB ALA 70 QB ALA 70 9.106 15.464 3.903 642 H ALA 71 H ALA 71 6.287 14.021 2.283 643 HA ALA 71 HA ALA 71 4.999 13.126 4.645 644 1HB ALA 71 1HB ALA 71 4.087 13.180 1.843 645 2HB ALA 71 3HB ALA 71 2.986 13.133 3.231 646 3HB ALA 71 2HB ALA 71 3.995 14.579 2.927 647 MB ALA 71 QB ALA 71 3.689 13.630 2.667 648 H VAL 72 H VAL 72 5.898 11.916 1.568 649 HA VAL 72 HA VAL 72 4.851 9.271 1.609 650 HB VAL 72 HB VAL 72 7.457 9.882 0.280 651 1HG1 VAL 72 2HG1 VAL 72 6.423 7.755 -0.012 652 2HG1 VAL 72 1HG1 VAL 72 4.975 8.609 -0.617 653 3HG1 VAL 72 3HG1 VAL 72 6.484 8.704 -1.549 654 1HG2 VAL 72 3HG2 VAL 72 4.867 11.067 -0.625 655 2HG2 VAL 72 2HG2 VAL 72 6.365 11.888 -0.100 656 3HG2 VAL 72 1HG2 VAL 72 6.351 10.950 -1.598 657 MG1 VAL 72 QG1 VAL 72 5.961 8.356 -0.726 658 MG2 VAL 72 QG2 VAL 72 5.861 11.302 -0.774 659 QG VAL 72 QQG VAL 72 5.911 9.829 -0.750 660 H ALA 73 H ALA 73 7.863 10.750 2.596 661 HA ALA 73 HA ALA 73 9.094 8.345 3.368 662 1HB ALA 73 1HB ALA 73 9.730 11.129 4.188 663 2HB ALA 73 3HB ALA 73 10.680 9.639 4.445 664 3HB ALA 73 2HB ALA 73 10.386 10.208 2.778 665 MB ALA 73 QB ALA 73 10.266 10.325 3.804 666 H GLU 74 H GLU 74 7.230 10.735 5.122 667 HA GLU 74 HA GLU 74 7.603 9.639 7.724 668 1HB GLU 74 2HB GLU 74 6.483 11.855 7.318 669 2HB GLU 74 1HB GLU 74 5.120 11.020 6.609 670 1HG GLU 74 2HG GLU 74 5.794 10.218 9.369 671 2HG GLU 74 1HG GLU 74 5.233 11.874 9.182 672 QB GLU 74 QB GLU 74 5.801 11.437 6.964 673 QG GLU 74 QG GLU 74 5.514 11.046 9.276 674 H VAL 75 H VAL 75 5.373 8.986 5.180 675 HA VAL 75 HA VAL 75 4.083 6.786 6.282 676 HB VAL 75 HB VAL 75 4.622 7.632 3.427 677 1HG1 VAL 75 2HG1 VAL 75 4.424 5.238 3.444 678 2HG1 VAL 75 1HG1 VAL 75 2.886 5.336 4.330 679 3HG1 VAL 75 3HG1 VAL 75 3.028 6.001 2.692 680 1HG2 VAL 75 3HG2 VAL 75 2.146 7.629 5.130 681 2HG2 VAL 75 2HG2 VAL 75 3.117 9.032 4.679 682 3HG2 VAL 75 1HG2 VAL 75 2.236 8.138 3.444 683 MG1 VAL 75 QG1 VAL 75 3.446 5.525 3.489 684 MG2 VAL 75 QG2 VAL 75 2.499 8.266 4.417 685 QG VAL 75 QQG VAL 75 2.973 6.896 3.953 686 H MET 76 H MET 76 6.976 6.824 4.018 687 HA MET 76 HA MET 76 7.614 4.219 4.066 688 1HB MET 76 2HB MET 76 9.531 6.548 4.181 689 2HB MET 76 1HB MET 76 9.978 4.929 3.742 690 1HG MET 76 2HG MET 76 7.877 6.324 2.323 691 2HG MET 76 1HG MET 76 9.560 6.679 1.861 692 1HE MET 76 1HE MET 76 6.521 4.576 1.922 693 2HE MET 76 3HE MET 76 6.859 3.130 0.952 694 3HE MET 76 2HE MET 76 7.489 3.216 2.588 695 QB MET 76 QB MET 76 9.754 5.738 3.961 696 QG MET 76 QG MET 76 8.719 6.501 2.092 697 ME MET 76 QE MET 76 6.956 3.641 1.821 698 H SER 77 H SER 77 8.729 6.604 6.428 699 HA SER 77 HA SER 77 10.238 4.898 8.018 700 1HB SER 77 2HB SER 77 10.242 7.365 8.207 701 2HB SER 77 1HB SER 77 8.604 7.321 8.849 702 HG SER 77 HG SER 77 10.953 6.271 10.029 703 QB SER 77 QB SER 77 9.423 7.343 8.528 704 H HIS 78 H HIS 78 6.776 5.630 8.274 705 HA HIS 78 HA HIS 78 6.401 3.862 10.479 706 1HB HIS 78 2HB HIS 78 4.448 5.194 8.607 707 2HB HIS 78 1HB HIS 78 3.907 4.066 9.837 708 HD1 HIS 78 1HD HIS 78 4.336 7.657 9.392 709 HD2 HIS 78 2HD HIS 78 4.949 4.949 12.522 710 HE1 HIS 78 1HE HIS 78 4.404 9.002 11.447 711 HE2 HIS 78 2HE HIS 78 4.884 7.392 13.319 712 QB HIS 78 QB HIS 78 4.178 4.630 9.222 713 H ILE 79 H ILE 79 6.509 3.385 7.131 714 HA ILE 79 HA ILE 79 5.131 0.834 7.122 715 HB ILE 79 HB ILE 79 5.982 2.835 5.181 716 1HG1 ILE 79 2HG1 ILE 79 3.601 1.003 5.330 717 2HG1 ILE 79 1HG1 ILE 79 3.688 2.697 5.803 718 1HG2 ILE 79 1HG2 ILE 79 6.175 -0.001 4.391 719 2HG2 ILE 79 3HG2 ILE 79 5.751 1.256 3.230 720 3HG2 ILE 79 2HG2 ILE 79 7.284 1.340 4.096 721 1HD1 ILE 79 2HD1 ILE 79 4.196 3.231 3.451 722 2HD1 ILE 79 1HD1 ILE 79 3.859 1.560 3.033 723 3HD1 ILE 79 3HD1 ILE 79 2.569 2.571 3.722 724 MG ILE 79 QG2 ILE 79 6.404 0.865 3.906 725 MD ILE 79 QD1 ILE 79 3.541 2.454 3.402 726 QG ILE 79 QG1 ILE 79 3.645 1.850 5.567 727 H GLN 80 H GLN 80 8.437 1.857 6.354 728 HA GLN 80 HA GLN 80 9.475 -0.618 5.844 729 1HB GLN 80 2HB GLN 80 10.750 1.918 6.837 730 2HB GLN 80 1HB GLN 80 11.636 0.519 6.226 731 1HG GLN 80 2HG GLN 80 9.615 2.118 4.562 732 2HG GLN 80 1HG GLN 80 11.313 2.213 4.412 733 1HE2 GLN 80 1HE2 GLN 80 8.688 0.233 3.957 734 2HE2 GLN 80 2HE2 GLN 80 9.583 -0.852 2.930 735 QB GLN 80 QB GLN 80 11.193 1.219 6.531 736 QG GLN 80 QG GLN 80 10.464 2.166 4.487 737 QE GLN 80 QE2 GLN 80 9.135 -0.309 3.443 738 H ARG 81 H ARG 81 8.654 0.725 8.903 739 HA ARG 81 HA ARG 81 10.269 -1.129 10.421 740 1HB ARG 81 2HB ARG 81 7.959 0.639 11.269 741 2HB ARG 81 1HB ARG 81 8.994 -0.284 12.359 742 1HG ARG 81 2HG ARG 81 10.894 0.910 11.711 743 2HG ARG 81 1HG ARG 81 10.002 1.806 10.478 744 1HD ARG 81 2HD ARG 81 8.612 2.773 12.297 745 2HD ARG 81 1HD ARG 81 9.639 1.935 13.465 746 HE ARG 81 HE ARG 81 11.434 3.241 12.047 747 1HH1 ARG 81 1HH1 ARG 81 8.458 4.387 13.614 748 2HH1 ARG 81 2HH1 ARG 81 9.004 6.002 13.738 749 1HH2 ARG 81 1HH2 ARG 81 12.141 5.492 12.228 750 2HH2 ARG 81 2HH2 ARG 81 11.117 6.636 12.940 751 QB ARG 81 QB ARG 81 8.476 0.177 11.814 752 QG ARG 81 QG ARG 81 10.448 1.358 11.094 753 QD ARG 81 QD ARG 81 9.126 2.354 12.881 754 QH1 ARG 81 QH1 ARG 81 8.731 5.194 13.676 755 QH2 ARG 81 QH2 ARG 81 11.629 6.064 12.584 756 H ASP 82 H ASP 82 8.295 -1.913 8.413 757 HA ASP 82 HA ASP 82 6.129 -3.285 9.003 758 1HB ASP 82 2HB ASP 82 6.454 -3.259 7.040 759 2HB ASP 82 1HB ASP 82 8.193 -3.571 6.942 760 QB ASP 82 QB ASP 82 7.324 -3.415 6.991 761 H ARG 83 H ARG 83 5.563 -5.226 8.978 762 HA ARG 83 HA ARG 83 6.594 -7.586 9.984 763 1HB ARG 83 2HB ARG 83 5.450 -7.379 12.324 764 2HB ARG 83 1HB ARG 83 7.034 -6.631 12.106 765 1HG ARG 83 2HG ARG 83 5.854 -4.517 11.580 766 2HG ARG 83 1HG ARG 83 4.357 -5.269 12.053 767 1HD ARG 83 2HD ARG 83 6.753 -5.021 13.885 768 2HD ARG 83 1HD ARG 83 5.345 -3.960 13.924 769 HE ARG 83 HE ARG 83 4.804 -6.793 14.244 770 1HH1 ARG 83 1HH1 ARG 83 5.477 -3.742 15.931 771 2HH1 ARG 83 2HH1 ARG 83 4.693 -4.181 17.349 772 1HH2 ARG 83 1HH2 ARG 83 3.710 -7.416 16.225 773 2HH2 ARG 83 2HH2 ARG 83 3.656 -6.333 17.529 774 QB ARG 83 QB ARG 83 6.242 -7.005 12.215 775 QG ARG 83 QG ARG 83 5.105 -4.893 11.816 776 QD ARG 83 QD ARG 83 6.049 -4.490 13.904 777 QH1 ARG 83 QH1 ARG 83 5.085 -3.962 16.640 778 QH2 ARG 83 QH2 ARG 83 3.683 -6.874 16.877 779 H ARG 84 H ARG 84 4.707 -6.477 8.022 780 HA ARG 84 HA ARG 84 2.251 -7.951 8.523 781 1HB ARG 84 2HB ARG 84 2.259 -4.956 8.102 782 2HB ARG 84 1HB ARG 84 0.917 -5.929 7.548 783 1HG ARG 84 2HG ARG 84 0.168 -5.119 9.582 784 2HG ARG 84 1HG ARG 84 0.793 -6.703 10.025 785 1HD ARG 84 2HD ARG 84 1.500 -5.085 11.651 786 2HD ARG 84 1HD ARG 84 2.895 -5.623 10.706 787 HE ARG 84 HE ARG 84 2.072 -3.402 9.405 788 1HH1 ARG 84 1HH1 ARG 84 2.718 -3.952 12.845 789 2HH1 ARG 84 2HH1 ARG 84 3.356 -2.400 13.100 790 1HH2 ARG 84 1HH2 ARG 84 2.945 -1.194 9.840 791 2HH2 ARG 84 2HH2 ARG 84 3.463 -0.848 11.407 792 QB ARG 84 QB ARG 84 1.588 -5.443 7.825 793 QG ARG 84 QG ARG 84 0.481 -5.911 9.804 794 QD ARG 84 QD ARG 84 2.198 -5.354 11.178 795 QH1 ARG 84 QH1 ARG 84 3.037 -3.176 12.972 796 QH2 ARG 84 QH2 ARG 84 3.204 -1.021 10.624 797 H HIS 85 H HIS 85 4.097 -5.901 6.419 798 HA HIS 85 HA HIS 85 2.908 -7.231 4.145 799 1HB HIS 85 2HB HIS 85 3.604 -5.288 2.771 800 2HB HIS 85 1HB HIS 85 2.164 -5.040 3.741 801 HD1 HIS 85 1HD HIS 85 3.231 -2.413 2.893 802 HD2 HIS 85 2HD HIS 85 4.913 -4.327 6.151 803 HE1 HIS 85 1HE HIS 85 4.417 -0.695 4.249 804 HE2 HIS 85 2HE HIS 85 5.512 -1.891 6.047 805 QB HIS 85 QB HIS 85 2.884 -5.164 3.256 806 H SER 86 H SER 86 4.118 -8.659 4.304 807 HA SER 86 HA SER 86 6.008 -9.543 5.295 808 1HB SER 86 2HB SER 86 4.937 -10.146 3.084 809 2HB SER 86 1HB SER 86 6.663 -10.288 2.600 810 HG SER 86 HG SER 86 6.445 -12.156 3.559 811 QB SER 86 QB SER 86 5.800 -10.217 2.842 812 H ASN 87 H ASN 87 7.247 -7.428 3.066 813 HA ASN 87 HA ASN 87 9.632 -7.176 4.689 814 1HB ASN 87 2HB ASN 87 9.936 -7.980 1.812 815 2HB ASN 87 1HB ASN 87 11.278 -7.317 2.733 816 1HD2 ASN 87 1HD2 ASN 87 9.433 -10.084 1.970 817 2HD2 ASN 87 2HD2 ASN 87 10.244 -11.188 2.994 818 QB ASN 87 QB ASN 87 10.607 -7.649 2.272 819 QD ASN 87 QD2 ASN 87 9.838 -10.636 2.482 820 H VAL 88 H VAL 88 7.500 -5.804 2.878 821 HA VAL 88 HA VAL 88 7.482 -4.216 1.281 822 HB VAL 88 HB VAL 88 6.323 -3.460 3.151 823 1HG1 VAL 88 1HG1 VAL 88 7.940 -3.601 4.803 824 2HG1 VAL 88 3HG1 VAL 88 8.752 -2.105 4.183 825 3HG1 VAL 88 2HG1 VAL 88 7.052 -2.031 4.698 826 1HG2 VAL 88 3HG2 VAL 88 6.686 -1.870 1.224 827 2HG2 VAL 88 2HG2 VAL 88 6.223 -1.112 2.752 828 3HG2 VAL 88 1HG2 VAL 88 7.887 -1.068 2.226 829 MG1 VAL 88 QG1 VAL 88 7.914 -2.579 4.561 830 MG2 VAL 88 QG2 VAL 88 6.932 -1.350 2.068 831 QG VAL 88 QQG VAL 88 7.423 -1.965 3.315 832 H GLU 89 H GLU 89 8.968 -4.611 -0.047 833 HA GLU 89 HA GLU 89 11.367 -2.988 0.180 834 1HB GLU 89 2HB GLU 89 10.630 -5.056 -1.876 835 2HB GLU 89 1HB GLU 89 12.204 -4.293 -1.679 836 1HG GLU 89 2HG GLU 89 12.581 -5.321 0.377 837 2HG GLU 89 1HG GLU 89 10.862 -5.752 0.419 838 QB GLU 89 QB GLU 89 11.417 -4.674 -1.778 839 QG GLU 89 QG GLU 89 11.722 -5.537 0.398 840 H ILE 90 H ILE 90 10.448 -1.098 -0.118 841 HA ILE 90 HA ILE 90 9.001 0.070 -2.186 842 HB ILE 90 HB ILE 90 11.608 1.291 -1.373 843 1HG1 ILE 90 2HG1 ILE 90 10.863 0.404 0.723 844 2HG1 ILE 90 1HG1 ILE 90 10.628 2.144 0.722 845 1HG2 ILE 90 3HG2 ILE 90 8.809 2.438 -1.605 846 2HG2 ILE 90 2HG2 ILE 90 10.203 3.364 -1.179 847 3HG2 ILE 90 1HG2 ILE 90 10.087 2.663 -2.812 848 1HD1 ILE 90 2HD1 ILE 90 8.292 1.808 0.169 849 2HD1 ILE 90 1HD1 ILE 90 8.532 0.067 0.262 850 3HD1 ILE 90 3HD1 ILE 90 8.730 1.062 1.717 851 MG ILE 90 QG2 ILE 90 9.700 2.822 -1.865 852 MD ILE 90 QD1 ILE 90 8.518 0.979 0.716 853 QG ILE 90 QG1 ILE 90 10.745 1.274 0.722 854 H LEU 91 H LEU 91 12.331 0.002 -2.247 855 HA LEU 91 HA LEU 91 13.886 -0.407 -3.787 856 1HB LEU 91 2HB LEU 91 11.705 -1.926 -5.221 857 2HB LEU 91 1HB LEU 91 13.399 -1.962 -5.671 858 HG LEU 91 HG LEU 91 12.280 -3.009 -3.025 859 1HD1 LEU 91 3HD1 LEU 91 13.282 -4.452 -5.461 860 2HD1 LEU 91 2HD1 LEU 91 12.813 -5.190 -3.931 861 3HD1 LEU 91 1HD1 LEU 91 11.606 -4.367 -4.921 862 1HD2 LEU 91 2HD2 LEU 91 15.055 -3.134 -4.219 863 2HD2 LEU 91 1HD2 LEU 91 14.578 -2.171 -2.822 864 3HD2 LEU 91 3HD2 LEU 91 14.527 -3.931 -2.737 865 MD1 LEU 91 QD1 LEU 91 12.567 -4.670 -4.771 866 MD2 LEU 91 QD2 LEU 91 14.720 -3.078 -3.259 867 QB LEU 91 QB LEU 91 12.552 -1.944 -5.446 868 QD LEU 91 QQD LEU 91 13.643 -3.874 -4.015 869 H ALA 92 H ALA 92 10.941 1.160 -4.744 870 HA ALA 92 HA ALA 92 12.513 2.648 -6.724 871 1HB ALA 92 3HB ALA 92 11.063 1.096 -7.920 872 2HB ALA 92 1HB ALA 92 10.560 2.771 -8.175 873 3HB ALA 92 2HB ALA 92 9.667 1.745 -7.055 874 MB ALA 92 QB ALA 92 10.430 1.870 -7.717 875 H GLU 93 H GLU 93 12.694 4.584 -5.934 876 HA GLU 93 HA GLU 93 10.300 5.885 -4.859 877 1HB GLU 93 2HB GLU 93 13.201 6.477 -4.057 878 2HB GLU 93 1HB GLU 93 11.720 7.175 -3.392 879 1HG GLU 93 2HG GLU 93 11.031 5.214 -2.476 880 2HG GLU 93 1HG GLU 93 12.355 4.291 -3.202 881 QB GLU 93 QB GLU 93 12.460 6.826 -3.724 882 QG GLU 93 QG GLU 93 11.693 4.753 -2.839 883 H GLU 94 H GLU 94 9.599 7.236 -6.355 884 HA GLU 94 HA GLU 94 11.570 8.496 -8.115 885 1HB GLU 94 2HB GLU 94 9.842 8.223 -9.936 886 2HB GLU 94 1HB GLU 94 10.679 6.771 -9.394 887 1HG GLU 94 2HG GLU 94 8.712 6.215 -7.988 888 2HG GLU 94 1HG GLU 94 7.894 7.627 -8.647 889 QB GLU 94 QB GLU 94 10.260 7.497 -9.665 890 QG GLU 94 QG GLU 94 8.303 6.921 -8.318 891 H SER 95 H SER 95 11.303 10.567 -8.647 892 HA SER 95 HA SER 95 9.426 12.156 -7.175 893 1HB SER 95 2HB SER 95 11.710 12.924 -7.563 894 2HB SER 95 1HB SER 95 11.442 12.915 -9.309 895 HG SER 95 HG SER 95 9.781 14.439 -7.603 896 QB SER 95 QB SER 95 11.576 12.919 -8.436 897 H ILE 96 H ILE 96 7.523 12.856 -7.854 898 HA ILE 96 HA ILE 96 6.887 12.362 -10.682 899 HB ILE 96 HB ILE 96 4.641 11.927 -10.109 900 1HG1 ILE 96 2HG1 ILE 96 5.627 11.236 -7.361 901 2HG1 ILE 96 1HG1 ILE 96 4.886 12.788 -7.700 902 1HG2 ILE 96 3HG2 ILE 96 6.752 9.981 -9.206 903 2HG2 ILE 96 2HG2 ILE 96 5.083 9.532 -9.548 904 3HG2 ILE 96 1HG2 ILE 96 6.111 10.177 -10.837 905 1HD1 ILE 96 3HD1 ILE 96 3.566 10.160 -8.190 906 2HD1 ILE 96 2HD1 ILE 96 3.402 11.166 -6.724 907 3HD1 ILE 96 1HD1 ILE 96 2.900 11.794 -8.295 908 MG ILE 96 QG2 ILE 96 5.982 9.896 -9.864 909 MD ILE 96 QD1 ILE 96 3.289 11.040 -7.736 910 QG ILE 96 QG1 ILE 96 5.256 12.012 -7.530 911 H ALA 97 H ALA 97 4.887 13.245 -11.459 912 HA ALA 97 HA ALA 97 4.777 16.036 -10.766 913 1HB ALA 97 2HB ALA 97 5.011 15.437 -13.122 914 2HB ALA 97 3HB ALA 97 3.490 16.314 -12.803 915 3HB ALA 97 1HB ALA 97 3.466 14.564 -12.996 916 MB ALA 97 QB ALA 97 3.989 15.439 -12.974 917 H LYS 98 H LYS 98 3.381 13.457 -10.180 918 HA LYS 98 HA LYS 98 1.499 12.504 -9.412 919 1HB LYS 98 2HB LYS 98 2.513 14.124 -7.703 920 2HB LYS 98 1HB LYS 98 0.976 14.896 -8.207 921 1HG LYS 98 2HG LYS 98 0.430 12.250 -7.555 922 2HG LYS 98 1HG LYS 98 1.443 13.010 -6.359 923 1HD LYS 98 2HD LYS 98 -0.704 14.637 -7.249 924 2HD LYS 98 1HD LYS 98 -1.217 13.210 -6.269 925 1HE LYS 98 2HE LYS 98 0.656 13.834 -4.897 926 2HE LYS 98 1HE LYS 98 0.685 15.391 -5.758 927 1HZ LYS 98 2HZ LYS 98 -1.737 15.640 -5.036 928 2HZ LYS 98 1HZ LYS 98 -1.528 14.311 -4.035 929 3HZ LYS 98 3HZ LYS 98 -0.656 15.712 -3.740 930 QB LYS 98 QB LYS 98 1.745 14.510 -7.955 931 QD LYS 98 QD LYS 98 -0.960 13.923 -6.759 932 QG LYS 98 QG LYS 98 0.936 12.630 -6.957 933 QE LYS 98 QE LYS 98 0.670 14.612 -5.327 934 QZ LYS 98 QZ LYS 98 -1.307 15.221 -4.270 935 H ARG 99 H ARG 99 -0.111 12.219 -9.883 936 HA ARG 99 HA ARG 99 -2.629 13.242 -10.349 937 1HB ARG 99 2HB ARG 99 -1.395 14.919 -11.884 938 2HB ARG 99 1HB ARG 99 -1.142 13.589 -12.989 939 1HG ARG 99 2HG ARG 99 -2.982 15.003 -13.718 940 2HG ARG 99 1HG ARG 99 -3.561 13.390 -13.303 941 1HD ARG 99 2HD ARG 99 -4.366 14.188 -11.165 942 2HD ARG 99 1HD ARG 99 -3.681 15.782 -11.470 943 HE ARG 99 HE ARG 99 -5.310 15.473 -13.550 944 1HH1 ARG 99 1HH1 ARG 99 -5.882 15.074 -10.068 945 2HH1 ARG 99 2HH1 ARG 99 -7.540 15.405 -10.173 946 1HH2 ARG 99 1HH2 ARG 99 -7.573 15.988 -13.667 947 2HH2 ARG 99 2HH2 ARG 99 -8.533 15.932 -12.266 948 QB ARG 99 QB ARG 99 -1.269 14.254 -12.436 949 QG ARG 99 QG ARG 99 -3.272 14.196 -13.510 950 QD ARG 99 QD ARG 99 -4.024 14.985 -11.318 951 QH1 ARG 99 QH1 ARG 99 -6.711 15.239 -10.121 952 QH2 ARG 99 QH2 ARG 99 -8.053 15.960 -12.967 953 H ARG 100 H ARG 100 -1.068 10.653 -10.105 954 HA ARG 100 HA ARG 100 -1.631 9.286 -12.542 955 1HB ARG 100 2HB ARG 100 -0.514 8.270 -9.923 956 2HB ARG 100 1HB ARG 100 -0.452 7.448 -11.485 957 1HG ARG 100 2HG ARG 100 1.032 9.085 -12.382 958 2HG ARG 100 1HG ARG 100 0.793 10.125 -10.977 959 1HD ARG 100 2HD ARG 100 2.952 9.068 -10.777 960 2HD ARG 100 1HD ARG 100 1.880 8.350 -9.583 961 HE ARG 100 HE ARG 100 1.630 6.650 -11.626 962 1HH1 ARG 100 1HH1 ARG 100 4.534 7.881 -9.930 963 2HH1 ARG 100 2HH1 ARG 100 5.541 6.645 -10.462 964 1HH2 ARG 100 1HH2 ARG 100 2.990 4.924 -12.252 965 2HH2 ARG 100 2HH2 ARG 100 4.624 4.852 -11.796 966 QB ARG 100 QB ARG 100 -0.483 7.859 -10.704 967 QG ARG 100 QG ARG 100 0.913 9.605 -11.679 968 QD ARG 100 QD ARG 100 2.416 8.709 -10.180 969 QH1 ARG 100 QH1 ARG 100 5.038 7.263 -10.196 970 QH2 ARG 100 QH2 ARG 100 3.807 4.888 -12.024 971 H PHE 101 H PHE 101 -2.611 9.088 -9.071 972 HA PHE 101 HA PHE 101 -5.010 7.925 -10.187 973 1HB PHE 101 2HB PHE 101 -3.529 6.952 -7.783 974 2HB PHE 101 1HB PHE 101 -5.258 6.658 -7.926 975 HD1 PHE 101 1HD PHE 101 -5.956 4.730 -8.981 976 HD2 PHE 101 2HD PHE 101 -2.129 6.293 -9.948 977 HE1 PHE 101 1HE PHE 101 -5.534 2.797 -10.410 978 HE2 PHE 101 2HE PHE 101 -1.713 4.358 -11.399 979 HZ PHE 101 HZ PHE 101 -3.413 2.605 -11.626 980 QB PHE 101 QB PHE 101 -4.394 6.805 -7.854 981 QD PHE 101 QD PHE 101 -4.042 5.511 -9.464 982 QE PHE 101 QE PHE 101 -3.624 3.577 -10.904 983 QR PHE 101 QR PHE 101 -3.749 4.156 -10.473 984 H ALA 102 H ALA 102 -3.883 10.194 -8.245 985 HA ALA 102 HA ALA 102 -4.796 12.076 -7.289 986 1HB ALA 102 1HB ALA 102 -5.967 12.256 -9.466 987 2HB ALA 102 2HB ALA 102 -6.857 13.000 -8.139 988 3HB ALA 102 3HB ALA 102 -7.350 11.424 -8.755 989 MB ALA 102 QB ALA 102 -6.725 12.227 -8.787 990 H GLY 103 H GLY 103 -6.052 9.122 -6.457 991 1HA GLY 103 1HA GLY 103 -7.988 9.207 -4.670 992 2HA GLY 103 2HA GLY 103 -6.739 10.125 -3.808 993 QA GLY 103 QA GLY 103 -7.363 9.666 -4.239 994 H TRP 104 H TRP 104 -6.582 8.220 -2.184 995 HA TRP 104 HA TRP 104 -4.916 6.144 -3.356 996 1HB TRP 104 2HB TRP 104 -3.907 7.276 -1.402 997 2HB TRP 104 1HB TRP 104 -5.376 7.010 -0.498 998 HD1 TRP 104 HD TRP 104 -2.077 5.310 -1.292 999 HE1 TRP 104 1HE TRP 104 -1.973 3.109 -0.029 1000 HE3 TRP 104 3HE TRP 104 -6.897 5.098 0.388 1001 HZ2 TRP 104 2HZ TRP 104 -3.777 1.498 1.540 1002 HZ3 TRP 104 3HZ TRP 104 -7.609 3.418 1.640 1003 HH2 TRP 104 HH TRP 104 -6.191 1.589 2.277 1004 QB TRP 104 QB TRP 104 -4.642 7.143 -0.950 1005 H HIS 105 H HIS 105 -5.557 4.001 -3.443 1006 HA HIS 105 HA HIS 105 -8.167 3.469 -2.244 1007 1HB HIS 105 2HB HIS 105 -7.391 3.612 -4.994 1008 2HB HIS 105 1HB HIS 105 -8.612 2.367 -4.621 1009 HD1 HIS 105 1HD HIS 105 -8.585 5.612 -5.967 1010 HD2 HIS 105 2HD HIS 105 -10.673 3.940 -2.798 1011 HE1 HIS 105 1HE HIS 105 -10.537 7.115 -5.583 1012 HE2 HIS 105 2HE HIS 105 -11.888 5.973 -3.815 1013 QB HIS 105 QB HIS 105 -8.002 2.989 -4.808 1014 H MET 106 H MET 106 -8.043 1.658 -1.186 1015 HA MET 106 HA MET 106 -6.178 -0.396 -2.027 1016 1HB MET 106 2HB MET 106 -6.381 0.130 0.383 1017 2HB MET 106 1HB MET 106 -8.091 -0.265 0.325 1018 1HG MET 106 2HG MET 106 -7.615 -2.563 -0.085 1019 2HG MET 106 1HG MET 106 -5.900 -2.220 -0.291 1020 1HE MET 106 3HE MET 106 -5.193 -4.064 1.405 1021 2HE MET 106 2HE MET 106 -5.886 -4.231 3.025 1022 3HE MET 106 1HE MET 106 -6.890 -4.500 1.592 1023 QB MET 106 QB MET 106 -7.236 -0.068 0.354 1024 QG MET 106 QG MET 106 -6.757 -2.391 -0.188 1025 ME MET 106 QE MET 106 -5.990 -4.265 2.008 1026 H GLN 107 H GLN 107 -6.838 -2.133 -3.220 1027 HA GLN 107 HA GLN 107 -9.390 -2.060 -4.427 1028 1HB GLN 107 2HB GLN 107 -7.129 -3.187 -5.195 1029 2HB GLN 107 1HB GLN 107 -7.738 -4.583 -4.335 1030 1HG GLN 107 2HG GLN 107 -9.107 -3.200 -6.653 1031 2HG GLN 107 1HG GLN 107 -8.174 -4.681 -6.752 1032 1HE2 GLN 107 1HE2 GLN 107 -10.921 -4.083 -7.448 1033 2HE2 GLN 107 2HE2 GLN 107 -11.925 -5.194 -6.586 1034 QB GLN 107 QB GLN 107 -7.433 -3.885 -4.765 1035 QG GLN 107 QG GLN 107 -8.641 -3.941 -6.703 1036 QE GLN 107 QE2 GLN 107 -11.423 -4.639 -7.017 1037 H LEU 108 H LEU 108 -8.105 -4.655 -2.336 1038 HA LEU 108 HA LEU 108 -10.789 -5.352 -1.561 1039 1HB LEU 108 2HB LEU 108 -8.144 -6.466 -0.569 1040 2HB LEU 108 1HB LEU 108 -9.715 -7.051 -0.091 1041 HG LEU 108 HG LEU 108 -10.067 -7.689 -2.545 1042 1HD1 LEU 108 2HD1 LEU 108 -7.088 -7.269 -2.641 1043 2HD1 LEU 108 1HD1 LEU 108 -8.058 -8.084 -3.869 1044 3HD1 LEU 108 3HD1 LEU 108 -8.309 -6.371 -3.545 1045 1HD2 LEU 108 2HD2 LEU 108 -7.905 -9.065 -0.959 1046 2HD2 LEU 108 1HD2 LEU 108 -9.642 -9.327 -0.809 1047 3HD2 LEU 108 3HD2 LEU 108 -8.809 -9.775 -2.295 1048 MD1 LEU 108 QD1 LEU 108 -7.818 -7.241 -3.352 1049 MD2 LEU 108 QD2 LEU 108 -8.785 -9.389 -1.354 1050 QB LEU 108 QB LEU 108 -8.929 -6.758 -0.330 1051 QD LEU 108 QQD LEU 108 -8.302 -8.315 -2.353 1052 H SER 109 H SER 109 -11.472 -3.482 -0.513 1053 HA SER 109 HA SER 109 -9.920 -2.276 1.584 1054 1HB SER 109 2HB SER 109 -12.798 -1.809 0.799 1055 2HB SER 109 1HB SER 109 -11.807 -0.772 1.831 1056 HG SER 109 HG SER 109 -10.605 -1.315 -0.552 1057 QB SER 109 QB SER 109 -12.303 -1.291 1.315 1058 H CYS 110 H CYS 110 -12.389 -4.678 1.409 1059 HA CYS 110 HA CYS 110 -12.175 -5.082 4.291 1060 1HB CYS 110 2HB CYS 110 -14.230 -3.673 3.760 1061 2HB CYS 110 1HB CYS 110 -14.828 -5.022 2.801 1062 HG CYS 110 HG CYS 110 -14.081 -5.608 6.053 1063 QB CYS 110 QB CYS 110 -14.529 -4.347 3.280 1064 H SER 111 H SER 111 -10.866 -6.330 2.273 1065 HA SER 111 HA SER 111 -10.321 -8.293 1.307 1066 1HB SER 111 2HB SER 111 -10.957 -9.388 3.492 1067 2HB SER 111 1HB SER 111 -12.623 -9.517 2.921 1068 HG SER 111 HG SER 111 -11.564 -11.471 2.569 1069 QB SER 111 QB SER 111 -11.790 -9.452 3.206 1070 H GLU 112 H GLU 112 -11.854 -10.250 0.136 1071 HA GLU 112 HA GLU 112 -13.349 -8.603 -1.661 1072 1HB GLU 112 2HB GLU 112 -13.646 -10.720 -3.049 1073 2HB GLU 112 1HB GLU 112 -12.003 -10.160 -2.855 1074 1HG GLU 112 2HG GLU 112 -11.893 -12.503 -2.679 1075 2HG GLU 112 1HG GLU 112 -11.798 -11.910 -1.020 1076 QB GLU 112 QB GLU 112 -12.825 -10.440 -2.952 1077 QG GLU 112 QG GLU 112 -11.846 -12.206 -1.849 1078 H ALA 113 H ALA 113 -14.039 -11.467 0.307 1079 HA ALA 113 HA ALA 113 -15.857 -12.192 1.389 1080 1HB ALA 113 2HB ALA 113 -15.496 -10.108 2.625 1081 2HB ALA 113 3HB ALA 113 -17.211 -10.524 2.532 1082 3HB ALA 113 1HB ALA 113 -16.552 -9.257 1.495 1083 MB ALA 113 QB ALA 113 -16.420 -9.963 2.217 1084 H ASP 114 H ASP 114 -15.993 -11.974 -1.504 1085 HA ASP 114 HA ASP 114 -18.885 -11.539 -1.847 1086 1HB ASP 114 2HB ASP 114 -17.499 -9.872 -3.026 1087 2HB ASP 114 1HB ASP 114 -16.708 -11.179 -3.900 1088 QB ASP 114 QB ASP 114 -17.103 -10.525 -3.463 1089 H MET 115 H MET 115 -16.087 -13.284 -3.080 1090 HA MET 115 HA MET 115 -17.932 -15.368 -3.984 1091 1HB MET 115 2HB MET 115 -16.130 -16.153 -5.469 1092 2HB MET 115 1HB MET 115 -16.575 -14.494 -5.823 1093 1HG MET 115 2HG MET 115 -14.586 -13.706 -4.673 1094 2HG MET 115 1HG MET 115 -14.168 -15.357 -4.236 1095 1HE MET 115 1HE MET 115 -13.383 -17.210 -5.994 1096 2HE MET 115 3HE MET 115 -14.874 -16.975 -6.907 1097 3HE MET 115 2HE MET 115 -13.324 -16.930 -7.737 1098 QB MET 115 QB MET 115 -16.352 -15.323 -5.646 1099 QG MET 115 QG MET 115 -14.377 -14.532 -4.455 1100 ME MET 115 QE MET 115 -13.860 -17.038 -6.879 1101 H ARG 116 H ARG 116 -15.025 -14.704 -2.141 1102 HA ARG 116 HA ARG 116 -13.795 -15.803 -0.697 1103 1HB ARG 116 2HB ARG 116 -16.296 -17.404 -0.320 1104 2HB ARG 116 1HB ARG 116 -14.824 -17.846 0.528 1105 1HG ARG 116 2HG ARG 116 -16.152 -16.591 2.013 1106 2HG ARG 116 1HG ARG 116 -14.845 -15.534 1.517 1107 1HD ARG 116 2HD ARG 116 -16.853 -14.322 1.558 1108 2HD ARG 116 1HD ARG 116 -16.345 -14.522 -0.114 1109 HE ARG 116 HE ARG 116 -17.936 -16.635 0.129 1110 1HH1 ARG 116 1HH1 ARG 116 -18.689 -13.245 1.022 1111 2HH1 ARG 116 2HH1 ARG 116 -20.352 -13.508 0.922 1112 1HH2 ARG 116 1HH2 ARG 116 -20.238 -16.898 0.041 1113 2HH2 ARG 116 2HH2 ARG 116 -21.236 -15.545 0.314 1114 QB ARG 116 QB ARG 116 -15.560 -17.625 0.104 1115 QG ARG 116 QG ARG 116 -15.499 -16.063 1.765 1116 QD ARG 116 QD ARG 116 -16.599 -14.422 0.722 1117 QH1 ARG 116 QH1 ARG 116 -19.520 -13.377 0.972 1118 QH2 ARG 116 QH2 ARG 116 -20.737 -16.221 0.177 1119 H SER 117 H SER 117 -15.246 -17.964 -3.036 1120 HA SER 117 HA SER 117 -13.810 -20.251 -2.790 1121 1HB SER 117 2HB SER 117 -14.804 -18.993 -5.329 1122 2HB SER 117 1HB SER 117 -14.519 -20.712 -5.040 1123 HG SER 117 HG SER 117 -16.734 -19.525 -4.666 1124 QB SER 117 QB SER 117 -14.662 -19.853 -5.185 1125 H LEU 118 H LEU 118 -12.325 -17.333 -3.591 1126 HA LEU 118 HA LEU 118 -10.361 -18.524 -5.301 1127 1HB LEU 118 2HB LEU 118 -9.235 -16.303 -5.203 1128 2HB LEU 118 1HB LEU 118 -10.852 -16.329 -5.888 1129 HG LEU 118 HG LEU 118 -11.681 -15.341 -3.722 1130 1HD1 LEU 118 2HD1 LEU 118 -9.851 -16.007 -2.245 1131 2HD1 LEU 118 1HD1 LEU 118 -8.746 -14.957 -3.138 1132 3HD1 LEU 118 3HD1 LEU 118 -10.085 -14.257 -2.230 1133 1HD2 LEU 118 3HD2 LEU 118 -9.620 -13.800 -5.276 1134 2HD2 LEU 118 2HD2 LEU 118 -11.326 -13.966 -5.670 1135 3HD2 LEU 118 1HD2 LEU 118 -10.839 -13.077 -4.230 1136 MD1 LEU 118 QD1 LEU 118 -9.561 -15.074 -2.538 1137 MD2 LEU 118 QD2 LEU 118 -10.595 -13.615 -5.059 1138 QB LEU 118 QB LEU 118 -10.044 -16.316 -5.545 1139 QD LEU 118 QQD LEU 118 -10.078 -14.344 -3.798 1140 H GLY 119 H GLY 119 -10.809 -18.594 -2.047 1141 1HA GLY 119 1HA GLY 119 -8.128 -18.245 -1.115 1142 2HA GLY 119 2HA GLY 119 -8.443 -19.935 -1.481 1143 QA GLY 119 QA GLY 119 -8.285 -19.090 -1.298 1144 H LEU 120 H LEU 120 -10.808 -17.686 -0.278 1145 HA LEU 120 HA LEU 120 -10.617 -18.463 2.471 1146 1HB LEU 120 2HB LEU 120 -12.768 -17.038 0.913 1147 2HB LEU 120 1HB LEU 120 -12.937 -17.429 2.601 1148 HG LEU 120 HG LEU 120 -10.977 -15.904 3.073 1149 1HD1 LEU 120 1HD1 LEU 120 -9.868 -16.014 0.907 1150 2HD1 LEU 120 3HD1 LEU 120 -11.226 -15.172 0.158 1151 3HD1 LEU 120 2HD1 LEU 120 -10.227 -14.345 1.355 1152 1HD2 LEU 120 3HD2 LEU 120 -13.324 -15.118 3.239 1153 2HD2 LEU 120 2HD2 LEU 120 -12.210 -13.827 2.801 1154 3HD2 LEU 120 1HD2 LEU 120 -13.244 -14.554 1.580 1155 MD1 LEU 120 QD1 LEU 120 -10.441 -15.177 0.807 1156 MD2 LEU 120 QD2 LEU 120 -12.926 -14.500 2.540 1157 QB LEU 120 QB LEU 120 -12.852 -17.234 1.757 1158 QD LEU 120 QQD LEU 120 -11.683 -14.838 1.673 1159 H ALA 121 H ALA 121 -12.928 -19.140 -0.119 1160 HA ALA 121 HA ALA 121 -13.883 -21.253 1.554 1161 1HB ALA 121 3HB ALA 121 -15.962 -21.309 0.232 1162 2HB ALA 121 1HB ALA 121 -15.347 -19.990 -0.756 1163 3HB ALA 121 2HB ALA 121 -15.672 -19.738 0.965 1164 MB ALA 121 QB ALA 121 -15.661 -20.346 0.147 1165 H GLU 122 H GLU 122 -12.337 -22.677 1.011 1166 HA GLU 122 HA GLU 122 -12.678 -23.968 -1.570 1167 1HB GLU 122 2HB GLU 122 -10.489 -22.559 -1.246 1168 2HB GLU 122 1HB GLU 122 -10.033 -23.800 -0.095 1169 1HG GLU 122 2HG GLU 122 -10.729 -24.487 -2.933 1170 2HG GLU 122 1HG GLU 122 -9.128 -23.909 -2.506 1171 QB GLU 122 QB GLU 122 -10.261 -23.179 -0.671 1172 QG GLU 122 QG GLU 122 -9.928 -24.198 -2.720 1173 H SER 123 H SER 123 -12.070 -26.361 -1.189 1174 HA SER 123 HA SER 123 -13.523 -27.089 1.148 1175 1HB SER 123 2HB SER 123 -12.238 -28.802 -0.971 1176 2HB SER 123 1HB SER 123 -13.490 -29.304 0.167 1177 HG SER 123 HG SER 123 -14.744 -28.732 -1.396 1178 QB SER 123 QB SER 123 -12.864 -29.053 -0.402 1179 H ARG 124 H ARG 124 -12.432 -26.958 2.995 1180 HA ARG 124 HA ARG 124 -9.863 -28.388 3.119 1181 1HB ARG 124 2HB ARG 124 -8.829 -26.739 4.521 1182 2HB ARG 124 1HB ARG 124 -9.459 -25.920 3.115 1183 1HG ARG 124 2HG ARG 124 -10.809 -25.950 5.816 1184 2HG ARG 124 1HG ARG 124 -9.723 -24.681 5.256 1185 1HD ARG 124 2HD ARG 124 -11.261 -24.171 3.442 1186 2HD ARG 124 1HD ARG 124 -12.327 -25.469 3.967 1187 HE ARG 124 HE ARG 124 -11.879 -23.727 6.113 1188 1HH1 ARG 124 1HH1 ARG 124 -13.592 -23.770 3.012 1189 2HH1 ARG 124 2HH1 ARG 124 -14.779 -22.658 3.507 1190 1HH2 ARG 124 1HH2 ARG 124 -13.487 -22.212 6.773 1191 2HH2 ARG 124 2HH2 ARG 124 -14.704 -21.723 5.687 1192 QB ARG 124 QB ARG 124 -9.144 -26.330 3.818 1193 QG ARG 124 QG ARG 124 -10.266 -25.315 5.536 1194 QD ARG 124 QD ARG 124 -11.794 -24.820 3.704 1195 QH1 ARG 124 QH1 ARG 124 -14.186 -23.214 3.259 1196 QH2 ARG 124 QH2 ARG 124 -14.095 -21.967 6.230 1197 H GLN 125 H GLN 125 -12.749 -28.939 3.987 1198 HA GLN 125 HA GLN 125 -12.118 -29.414 6.786 1199 1HB GLN 125 2HB GLN 125 -14.628 -29.859 7.094 1200 2HB GLN 125 1HB GLN 125 -14.091 -28.216 6.885 1201 1HG GLN 125 2HG GLN 125 -16.116 -28.442 5.671 1202 2HG GLN 125 1HG GLN 125 -14.825 -28.369 4.491 1203 1HE2 GLN 125 1HE2 GLN 125 -17.579 -29.389 4.373 1204 2HE2 GLN 125 2HE2 GLN 125 -17.476 -31.018 3.824 1205 QB GLN 125 QB GLN 125 -14.359 -29.037 6.989 1206 QG GLN 125 QG GLN 125 -15.470 -28.405 5.081 1207 QE GLN 125 QE2 GLN 125 -17.527 -30.203 4.098 No H/Q in entry = 1207 Start of MODEL 10 1 H1 LEU 5 2HT LEU 5 -2.203 37.757 -17.926 2 H2 LEU 5 1HT LEU 5 -0.896 37.385 -16.957 3 H3 LEU 5 3HT LEU 5 -0.683 38.351 -18.343 4 HA LEU 5 HA LEU 5 -1.351 36.520 -19.729 5 1HB LEU 5 2HB LEU 5 0.801 35.813 -17.733 6 2HB LEU 5 1HB LEU 5 0.428 34.786 -19.104 7 HG LEU 5 HG LEU 5 2.354 35.968 -19.664 8 1HD1 LEU 5 2HD1 LEU 5 0.815 35.830 -21.477 9 2HD1 LEU 5 1HD1 LEU 5 0.072 37.358 -21.013 10 3HD1 LEU 5 3HD1 LEU 5 1.741 37.326 -21.569 11 1HD2 LEU 5 1HD2 LEU 5 2.280 37.689 -17.958 12 2HD2 LEU 5 3HD2 LEU 5 2.620 38.394 -19.537 13 3HD2 LEU 5 2HD2 LEU 5 1.008 38.538 -18.837 14 MD1 LEU 5 QD1 LEU 5 0.876 36.838 -21.353 15 MD2 LEU 5 QD2 LEU 5 1.969 38.207 -18.777 16 QB LEU 5 QB LEU 5 0.615 35.300 -18.418 17 QD LEU 5 QQD LEU 5 1.423 37.523 -20.065 18 H GLU 6 H GLU 6 -1.547 34.028 -19.723 19 HA GLU 6 HA GLU 6 -3.929 33.524 -18.297 20 1HB GLU 6 2HB GLU 6 -3.490 32.706 -20.626 21 2HB GLU 6 1HB GLU 6 -2.257 31.686 -19.885 22 1HG GLU 6 2HG GLU 6 -4.347 30.603 -20.515 23 2HG GLU 6 1HG GLU 6 -3.897 30.357 -18.814 24 QB GLU 6 QB GLU 6 -2.873 32.196 -20.255 25 QG GLU 6 QG GLU 6 -4.122 30.480 -19.665 26 H ALA 7 H ALA 7 -4.365 31.833 -16.944 27 HA ALA 7 HA ALA 7 -2.312 31.338 -14.977 28 1HB ALA 7 2HB ALA 7 -4.072 30.287 -13.710 29 2HB ALA 7 1HB ALA 7 -4.576 31.891 -14.240 30 3HB ALA 7 3HB ALA 7 -5.192 30.452 -15.067 31 MB ALA 7 QB ALA 7 -4.613 30.876 -14.339 32 H ASP 8 H ASP 8 -1.252 29.532 -14.782 33 HA ASP 8 HA ASP 8 -1.237 27.688 -16.947 34 1HB ASP 8 2HB ASP 8 0.824 28.381 -15.742 35 2HB ASP 8 1HB ASP 8 0.230 27.549 -14.308 36 QB ASP 8 QB ASP 8 0.527 27.965 -15.025 37 H VAL 9 H VAL 9 -2.006 25.645 -17.011 38 HA VAL 9 HA VAL 9 -4.117 25.067 -15.481 39 HB VAL 9 HB VAL 9 -4.105 22.795 -16.546 40 1HG1 VAL 9 1HG1 VAL 9 -3.755 25.217 -18.322 41 2HG1 VAL 9 3HG1 VAL 9 -4.512 23.701 -18.810 42 3HG1 VAL 9 2HG1 VAL 9 -5.263 24.694 -17.563 43 1HG2 VAL 9 3HG2 VAL 9 -1.668 22.698 -16.679 44 2HG2 VAL 9 2HG2 VAL 9 -2.445 22.342 -18.245 45 3HG2 VAL 9 1HG2 VAL 9 -1.709 23.930 -17.923 46 MG1 VAL 9 QG1 VAL 9 -4.510 24.537 -18.231 47 MG2 VAL 9 QG2 VAL 9 -1.941 22.990 -17.616 48 QG VAL 9 QQG VAL 9 -3.225 23.763 -17.924 49 H THR 10 H THR 10 -0.806 24.396 -14.883 50 HA THR 10 HA THR 10 0.383 23.143 -13.548 51 HB THR 10 HB THR 10 -0.237 22.989 -11.277 52 HG1 THR 10 1HG THR 10 -2.722 23.397 -12.227 53 1HG2 THR 10 2HG2 THR 10 0.851 24.991 -12.036 54 2HG2 THR 10 1HG2 THR 10 -0.694 25.705 -12.505 55 3HG2 THR 10 3HG2 THR 10 -0.323 25.441 -10.801 56 MG THR 10 QG2 THR 10 -0.056 25.379 -11.780 57 H MET 11 H MET 11 0.142 21.466 -15.026 58 HA MET 11 HA MET 11 -1.407 19.154 -14.213 59 1HB MET 11 2HB MET 11 0.659 19.596 -16.361 60 2HB MET 11 1HB MET 11 -0.204 18.092 -16.118 61 1HG MET 11 2HG MET 11 -2.288 19.161 -16.650 62 2HG MET 11 1HG MET 11 -1.488 20.724 -16.783 63 1HE MET 11 1HE MET 11 0.278 21.321 -18.634 64 2HE MET 11 3HE MET 11 1.262 19.882 -18.339 65 3HE MET 11 2HE MET 11 0.723 20.275 -19.972 66 QB MET 11 QB MET 11 0.227 18.844 -16.240 67 QG MET 11 QG MET 11 -1.888 19.943 -16.716 68 ME MET 11 QE MET 11 0.754 20.493 -18.982 69 H THR 12 H THR 12 1.884 20.313 -14.370 70 HA THR 12 HA THR 12 2.864 17.981 -12.940 71 HB THR 12 HB THR 12 4.972 18.759 -13.701 72 HG1 THR 12 1HG THR 12 4.823 20.844 -14.443 73 1HG2 THR 12 1HG2 THR 12 3.831 16.984 -14.868 74 2HG2 THR 12 3HG2 THR 12 2.965 18.154 -15.867 75 3HG2 THR 12 2HG2 THR 12 4.710 17.967 -16.037 76 MG THR 12 QG2 THR 12 3.835 17.701 -15.590 77 H GLY 13 H GLY 13 4.998 18.778 -11.766 78 1HA GLY 13 1HA GLY 13 4.373 19.863 -9.440 79 2HA GLY 13 2HA GLY 13 4.681 21.292 -10.438 80 QA GLY 13 QA GLY 13 4.527 20.577 -9.939 81 H SER 14 H SER 14 6.081 19.589 -8.242 82 HA SER 14 HA SER 14 8.532 18.776 -9.503 83 1HB SER 14 2HB SER 14 8.526 21.250 -7.758 84 2HB SER 14 1HB SER 14 9.974 20.329 -8.163 85 HG SER 14 HG SER 14 8.551 20.881 -10.357 86 QB SER 14 QB SER 14 9.250 20.789 -7.961 87 H ASP 15 H ASP 15 6.606 19.290 -6.501 88 HA ASP 15 HA ASP 15 8.537 17.736 -5.144 89 1HB ASP 15 2HB ASP 15 7.571 18.697 -3.198 90 2HB ASP 15 1HB ASP 15 8.241 19.952 -4.204 91 QB ASP 15 QB ASP 15 7.906 19.324 -3.701 92 H LEU 16 H LEU 16 6.955 16.428 -6.720 93 HA LEU 16 HA LEU 16 5.594 14.854 -4.708 94 1HB LEU 16 2HB LEU 16 5.011 14.873 -7.622 95 2HB LEU 16 1HB LEU 16 4.158 13.957 -6.387 96 HG LEU 16 HG LEU 16 2.695 15.528 -6.860 97 1HD1 LEU 16 3HD1 LEU 16 2.912 15.694 -4.549 98 2HD1 LEU 16 2HD1 LEU 16 4.187 16.897 -4.696 99 3HD1 LEU 16 1HD1 LEU 16 2.540 17.297 -5.193 100 1HD2 LEU 16 3HD2 LEU 16 4.880 17.468 -7.443 101 2HD2 LEU 16 2HD2 LEU 16 3.727 16.619 -8.502 102 3HD2 LEU 16 1HD2 LEU 16 3.143 17.891 -7.432 103 MD1 LEU 16 QD1 LEU 16 3.213 16.629 -4.812 104 MD2 LEU 16 QD2 LEU 16 3.917 17.326 -7.792 105 QB LEU 16 QB LEU 16 4.584 14.415 -7.004 106 QD LEU 16 QQD LEU 16 3.565 16.978 -6.302 107 H VAL 17 H VAL 17 5.809 12.770 -4.769 108 HA VAL 17 HA VAL 17 7.818 11.744 -6.346 109 HB VAL 17 HB VAL 17 8.013 12.061 -3.359 110 1HG1 VAL 17 3HG1 VAL 17 9.167 10.017 -5.062 111 2HG1 VAL 17 2HG1 VAL 17 9.974 10.454 -3.507 112 3HG1 VAL 17 1HG1 VAL 17 8.276 9.835 -3.543 113 1HG2 VAL 17 3HG2 VAL 17 9.207 13.702 -4.758 114 2HG2 VAL 17 2HG2 VAL 17 10.328 12.732 -3.799 115 3HG2 VAL 17 1HG2 VAL 17 10.104 12.390 -5.512 116 MG1 VAL 17 QG1 VAL 17 9.139 10.102 -4.037 117 MG2 VAL 17 QG2 VAL 17 9.880 12.941 -4.690 118 QG VAL 17 QQG VAL 17 9.509 11.522 -4.363 119 H SER 18 H SER 18 7.598 9.405 -6.233 120 HA SER 18 HA SER 18 5.295 8.410 -4.767 121 1HB SER 18 2HB SER 18 4.644 8.884 -7.139 122 2HB SER 18 1HB SER 18 5.850 7.700 -7.648 123 HG SER 18 HG SER 18 3.819 7.105 -5.787 124 QB SER 18 QB SER 18 5.247 8.292 -7.393 125 H CYS 19 H CYS 19 5.921 6.824 -3.592 126 HA CYS 19 HA CYS 19 8.215 5.241 -4.403 127 1HB CYS 19 2HB CYS 19 6.684 5.354 -1.787 128 2HB CYS 19 1HB CYS 19 8.123 4.383 -2.087 129 HG CYS 19 HG CYS 19 9.861 6.239 -1.490 130 QB CYS 19 QB CYS 19 7.403 4.869 -1.937 131 H CYS 20 H CYS 20 7.883 3.248 -5.178 132 HA CYS 20 HA CYS 20 5.114 2.242 -5.175 133 1HB CYS 20 2HB CYS 20 7.260 1.842 -7.283 134 2HB CYS 20 1HB CYS 20 5.597 1.279 -7.366 135 HG CYS 20 HG CYS 20 5.323 4.442 -6.925 136 QB CYS 20 QB CYS 20 6.428 1.561 -7.324 137 H TYR 21 H TYR 21 5.118 0.499 -3.742 138 HA TYR 21 HA TYR 21 7.713 -0.834 -3.573 139 1HB TYR 21 2HB TYR 21 7.531 -1.078 -1.292 140 2HB TYR 21 1HB TYR 21 7.133 0.602 -1.625 141 HD1 TYR 21 1HD TYR 21 5.590 -2.715 -0.706 142 HD2 TYR 21 2HD TYR 21 5.364 1.541 -0.526 143 HE1 TYR 21 1HE TYR 21 3.804 -2.872 0.958 144 HE2 TYR 21 2HE TYR 21 3.637 1.379 1.100 145 HH TYR 21 HH TYR 21 1.907 -0.284 1.827 146 QB TYR 21 QB TYR 21 7.332 -0.238 -1.458 147 QD TYR 21 QD TYR 21 5.477 -0.587 -0.616 148 QE TYR 21 QE TYR 21 3.721 -0.746 1.029 149 QR TYR 21 QR TYR 21 4.599 -0.667 0.206 150 H ARG 22 H ARG 22 7.612 -3.014 -2.827 151 HA ARG 22 HA ARG 22 4.969 -4.173 -3.061 152 1HB ARG 22 2HB ARG 22 5.532 -5.736 -4.642 153 2HB ARG 22 1HB ARG 22 6.890 -4.675 -4.955 154 1HG ARG 22 2HG ARG 22 7.072 -6.922 -2.983 155 2HG ARG 22 1HG ARG 22 7.383 -7.160 -4.699 156 1HD ARG 22 2HD ARG 22 9.234 -5.663 -4.631 157 2HD ARG 22 1HD ARG 22 8.796 -5.106 -3.014 158 HE ARG 22 HE ARG 22 9.718 -7.002 -2.101 159 1HH1 ARG 22 1HH1 ARG 22 9.584 -7.459 -5.611 160 2HH1 ARG 22 2HH1 ARG 22 10.761 -8.687 -5.610 161 1HH2 ARG 22 1HH2 ARG 22 11.325 -8.603 -2.122 162 2HH2 ARG 22 2HH2 ARG 22 11.773 -9.382 -3.579 163 QB ARG 22 QB ARG 22 6.211 -5.205 -4.798 164 QG ARG 22 QG ARG 22 7.227 -7.041 -3.841 165 QD ARG 22 QD ARG 22 9.015 -5.384 -3.822 166 QH1 ARG 22 QH1 ARG 22 10.173 -8.073 -5.610 167 QH2 ARG 22 QH2 ARG 22 11.549 -8.993 -2.850 168 H SER 23 H SER 23 4.635 -5.920 -1.771 169 HA SER 23 HA SER 23 6.775 -6.619 -0.051 170 1HB SER 23 2HB SER 23 4.987 -6.629 1.907 171 2HB SER 23 1HB SER 23 5.883 -5.169 1.531 172 HG SER 23 HG SER 23 3.973 -4.854 0.020 173 QB SER 23 QB SER 23 5.435 -5.899 1.719 174 H LEU 24 H LEU 24 6.072 -8.617 1.250 175 HA LEU 24 HA LEU 24 4.478 -10.218 -0.635 176 1HB LEU 24 2HB LEU 24 6.905 -11.048 0.949 177 2HB LEU 24 1HB LEU 24 5.837 -12.225 0.229 178 HG LEU 24 HG LEU 24 7.794 -11.981 -1.134 179 1HD1 LEU 24 3HD1 LEU 24 5.741 -12.428 -2.296 180 2HD1 LEU 24 2HD1 LEU 24 5.441 -10.698 -2.477 181 3HD1 LEU 24 1HD1 LEU 24 6.817 -11.443 -3.285 182 1HD2 LEU 24 2HD2 LEU 24 8.438 -9.651 -0.498 183 2HD2 LEU 24 1HD2 LEU 24 8.430 -9.912 -2.252 184 3HD2 LEU 24 3HD2 LEU 24 7.088 -9.078 -1.485 185 MD1 LEU 24 QD1 LEU 24 6.000 -11.523 -2.686 186 MD2 LEU 24 QD2 LEU 24 7.986 -9.547 -1.412 187 QB LEU 24 QB LEU 24 6.371 -11.637 0.589 188 QD LEU 24 QQD LEU 24 6.993 -10.535 -2.049 189 H ALA 25 H ALA 25 3.047 -8.998 1.031 190 HA ALA 25 HA ALA 25 2.069 -9.025 3.278 191 1HB ALA 25 3HB ALA 25 0.521 -10.850 1.456 192 2HB ALA 25 1HB ALA 25 0.514 -9.080 1.420 193 3HB ALA 25 2HB ALA 25 -0.098 -9.921 2.834 194 MB ALA 25 QB ALA 25 0.312 -9.950 1.903 195 H ALA 26 H ALA 26 2.542 -9.929 5.232 196 HA ALA 26 HA ALA 26 3.935 -12.209 5.275 197 1HB ALA 26 2HB ALA 26 4.328 -10.450 6.737 198 2HB ALA 26 1HB ALA 26 2.679 -10.503 7.384 199 3HB ALA 26 3HB ALA 26 3.805 -11.832 7.721 200 MB ALA 26 QB ALA 26 3.604 -10.929 7.281 201 HA PRO 27 HA PRO 27 0.765 -15.307 5.334 202 1HB PRO 27 2HB PRO 27 2.178 -17.192 6.713 203 2HB PRO 27 1HB PRO 27 2.462 -16.829 5.000 204 1HG PRO 27 2HG PRO 27 3.795 -15.540 7.384 205 2HG PRO 27 1HG PRO 27 4.627 -16.424 6.038 206 1HD PRO 27 2HD PRO 27 4.523 -13.886 6.059 207 2HD PRO 27 1HD PRO 27 3.932 -14.673 4.574 208 QB PRO 27 QB PRO 27 2.320 -17.010 5.856 209 QG PRO 27 QG PRO 27 4.211 -15.982 6.711 210 QD PRO 27 QD PRO 27 4.228 -14.280 5.316 211 H ASP 28 H ASP 28 2.020 -13.869 7.956 212 HA ASP 28 HA ASP 28 0.284 -15.236 9.901 213 1HB ASP 28 2HB ASP 28 1.697 -14.254 11.685 214 2HB ASP 28 1HB ASP 28 2.623 -15.241 10.570 215 QB ASP 28 QB ASP 28 2.160 -14.748 11.128 216 H LEU 29 H LEU 29 -0.141 -12.944 7.907 217 HA LEU 29 HA LEU 29 -0.828 -10.735 9.491 218 1HB LEU 29 2HB LEU 29 -1.087 -11.426 6.661 219 2HB LEU 29 1HB LEU 29 -2.221 -10.242 7.285 220 HG LEU 29 HG LEU 29 0.762 -10.013 7.562 221 1HD1 LEU 29 1HD1 LEU 29 -1.191 -8.821 5.637 222 2HD1 LEU 29 3HD1 LEU 29 0.430 -8.178 5.908 223 3HD1 LEU 29 2HD1 LEU 29 0.284 -9.790 5.230 224 1HD2 LEU 29 2HD2 LEU 29 -1.554 -8.206 8.149 225 2HD2 LEU 29 1HD2 LEU 29 -0.372 -8.821 9.295 226 3HD2 LEU 29 3HD2 LEU 29 0.108 -7.650 8.061 227 MD1 LEU 29 QD1 LEU 29 -0.159 -8.930 5.592 228 MD2 LEU 29 QD2 LEU 29 -0.606 -8.226 8.502 229 QB LEU 29 QB LEU 29 -1.654 -10.834 6.973 230 QD LEU 29 QQD LEU 29 -0.383 -8.578 7.047 231 H THR 30 H THR 30 -2.568 -10.008 10.263 232 HA THR 30 HA THR 30 -4.884 -11.709 10.424 233 HB THR 30 HB THR 30 -5.190 -9.703 12.000 234 HG1 THR 30 1HG THR 30 -3.219 -8.838 12.497 235 1HG2 THR 30 1HG2 THR 30 -3.773 -12.273 12.350 236 2HG2 THR 30 3HG2 THR 30 -4.326 -11.288 13.732 237 3HG2 THR 30 2HG2 THR 30 -5.514 -11.865 12.535 238 MG THR 30 QG2 THR 30 -4.538 -11.808 12.873 239 H LEU 31 H LEU 31 -6.754 -11.110 9.728 240 HA LEU 31 HA LEU 31 -7.150 -9.218 7.662 241 1HB LEU 31 2HB LEU 31 -8.522 -11.249 8.324 242 2HB LEU 31 1HB LEU 31 -8.973 -10.160 9.658 243 HG LEU 31 HG LEU 31 -10.035 -8.623 8.111 244 1HD1 LEU 31 1HD1 LEU 31 -8.717 -9.075 6.127 245 2HD1 LEU 31 3HD1 LEU 31 -9.494 -10.662 5.965 246 3HD1 LEU 31 2HD1 LEU 31 -10.448 -9.169 5.840 247 1HD2 LEU 31 3HD2 LEU 31 -11.043 -11.445 7.880 248 2HD2 LEU 31 2HD2 LEU 31 -11.381 -10.298 9.178 249 3HD2 LEU 31 1HD2 LEU 31 -11.978 -9.985 7.549 250 MD1 LEU 31 QD1 LEU 31 -9.553 -9.635 5.977 251 MD2 LEU 31 QD2 LEU 31 -11.468 -10.576 8.202 252 QB LEU 31 QB LEU 31 -8.748 -10.704 8.991 253 QD LEU 31 QQD LEU 31 -10.510 -10.106 7.090 254 H ARG 32 H ARG 32 -7.652 -9.039 11.192 255 HA ARG 32 HA ARG 32 -9.097 -6.621 10.859 256 1HB ARG 32 2HB ARG 32 -9.297 -8.047 12.896 257 2HB ARG 32 1HB ARG 32 -7.712 -7.496 13.400 258 1HG ARG 32 2HG ARG 32 -9.469 -6.212 14.541 259 2HG ARG 32 1HG ARG 32 -8.527 -5.192 13.427 260 1HD ARG 32 2HD ARG 32 -11.017 -4.816 13.328 261 2HD ARG 32 1HD ARG 32 -10.246 -5.205 11.793 262 HE ARG 32 HE ARG 32 -11.149 -7.573 12.959 263 1HH1 ARG 32 1HH1 ARG 32 -12.585 -4.616 11.631 264 2HH1 ARG 32 2HH1 ARG 32 -13.910 -5.431 10.926 265 1HH2 ARG 32 1HH2 ARG 32 -12.908 -8.668 11.970 266 2HH2 ARG 32 2HH2 ARG 32 -14.088 -7.799 11.097 267 QB ARG 32 QB ARG 32 -8.505 -7.772 13.148 268 QG ARG 32 QG ARG 32 -8.998 -5.702 13.984 269 QD ARG 32 QD ARG 32 -10.632 -5.011 12.561 270 QH1 ARG 32 QH1 ARG 32 -13.247 -5.024 11.278 271 QH2 ARG 32 QH2 ARG 32 -13.498 -8.234 11.534 272 H ASP 33 H ASP 33 -5.792 -7.394 11.031 273 HA ASP 33 HA ASP 33 -4.895 -4.769 11.468 274 1HB ASP 33 2HB ASP 33 -3.564 -7.235 10.413 275 2HB ASP 33 1HB ASP 33 -2.760 -5.681 10.263 276 QB ASP 33 QB ASP 33 -3.162 -6.458 10.338 277 H LEU 34 H LEU 34 -5.616 -6.642 8.471 278 HA LEU 34 HA LEU 34 -4.673 -4.501 6.762 279 1HB LEU 34 2HB LEU 34 -6.678 -6.670 6.100 280 2HB LEU 34 1HB LEU 34 -6.112 -5.492 4.951 281 HG LEU 34 HG LEU 34 -5.010 -7.546 4.521 282 1HD1 LEU 34 3HD1 LEU 34 -3.616 -5.583 4.245 283 2HD1 LEU 34 2HD1 LEU 34 -3.078 -5.718 5.921 284 3HD1 LEU 34 1HD1 LEU 34 -2.663 -6.976 4.763 285 1HD2 LEU 34 3HD2 LEU 34 -5.434 -8.400 6.763 286 2HD2 LEU 34 2HD2 LEU 34 -3.806 -8.812 6.148 287 3HD2 LEU 34 1HD2 LEU 34 -4.051 -7.490 7.332 288 MD1 LEU 34 QD1 LEU 34 -3.119 -6.092 4.976 289 MD2 LEU 34 QD2 LEU 34 -4.430 -8.234 6.748 290 QB LEU 34 QB LEU 34 -6.395 -6.081 5.525 291 QD LEU 34 QQD LEU 34 -3.775 -7.163 5.862 292 H LEU 35 H LEU 35 -7.661 -5.291 8.192 293 HA LEU 35 HA LEU 35 -9.202 -3.376 6.777 294 1HB LEU 35 2HB LEU 35 -9.692 -5.025 9.228 295 2HB LEU 35 1HB LEU 35 -10.842 -3.797 8.750 296 HG LEU 35 HG LEU 35 -11.325 -6.215 8.009 297 1HD1 LEU 35 1HD1 LEU 35 -12.448 -4.221 7.059 298 2HD1 LEU 35 3HD1 LEU 35 -11.143 -4.058 5.884 299 3HD1 LEU 35 2HD1 LEU 35 -12.191 -5.467 5.833 300 1HD2 LEU 35 2HD2 LEU 35 -8.975 -6.633 7.243 301 2HD2 LEU 35 1HD2 LEU 35 -10.191 -6.997 5.975 302 3HD2 LEU 35 3HD2 LEU 35 -9.232 -5.511 5.965 303 MD1 LEU 35 QD1 LEU 35 -11.927 -4.582 6.259 304 MD2 LEU 35 QD2 LEU 35 -9.466 -6.380 6.394 305 QB LEU 35 QB LEU 35 -10.267 -4.411 8.989 306 QD LEU 35 QQD LEU 35 -10.697 -5.481 6.326 307 H ASP 36 H ASP 36 -7.610 -3.317 9.829 308 HA ASP 36 HA ASP 36 -8.360 -0.572 10.336 309 1HB ASP 36 2HB ASP 36 -6.548 -2.475 11.638 310 2HB ASP 36 1HB ASP 36 -6.009 -0.805 11.726 311 QB ASP 36 QB ASP 36 -6.279 -1.640 11.682 312 H ILE 37 H ILE 37 -5.593 -2.066 8.797 313 HA ILE 37 HA ILE 37 -4.035 0.156 8.271 314 HB ILE 37 HB ILE 37 -4.469 -2.387 6.714 315 1HG1 ILE 37 2HG1 ILE 37 -1.928 -1.419 7.990 316 2HG1 ILE 37 1HG1 ILE 37 -3.150 -2.243 8.938 317 1HG2 ILE 37 2HG2 ILE 37 -3.926 -0.726 5.023 318 2HG2 ILE 37 1HG2 ILE 37 -2.518 -0.209 5.954 319 3HG2 ILE 37 3HG2 ILE 37 -2.572 -1.829 5.258 320 1HD1 ILE 37 3HD1 ILE 37 -1.877 -3.355 6.468 321 2HD1 ILE 37 2HD1 ILE 37 -1.304 -3.696 8.106 322 3HD1 ILE 37 1HD1 ILE 37 -2.916 -4.216 7.587 323 MG ILE 37 QG2 ILE 37 -3.005 -0.921 5.412 324 MD ILE 37 QD1 ILE 37 -2.032 -3.756 7.387 325 QG ILE 37 QG1 ILE 37 -2.539 -1.831 8.464 326 H VAL 38 H VAL 38 -6.526 -1.228 6.150 327 HA VAL 38 HA VAL 38 -6.401 0.706 4.163 328 HB VAL 38 HB VAL 38 -7.704 -1.345 3.715 329 1HG1 VAL 38 3HG1 VAL 38 -8.588 -1.707 5.901 330 2HG1 VAL 38 2HG1 VAL 38 -9.736 -0.387 5.664 331 3HG1 VAL 38 1HG1 VAL 38 -9.821 -1.829 4.644 332 1HG2 VAL 38 2HG2 VAL 38 -8.332 0.613 2.373 333 2HG2 VAL 38 1HG2 VAL 38 -9.719 -0.431 2.680 334 3HG2 VAL 38 3HG2 VAL 38 -9.521 1.058 3.595 335 MG1 VAL 38 QG1 VAL 38 -9.382 -1.308 5.403 336 MG2 VAL 38 QG2 VAL 38 -9.191 0.413 2.883 337 QG VAL 38 QQG VAL 38 -9.286 -0.447 4.143 338 H GLU 39 H GLU 39 -8.515 0.778 6.989 339 HA GLU 39 HA GLU 39 -9.716 3.216 6.302 340 1HB GLU 39 2HB GLU 39 -9.560 1.662 8.861 341 2HB GLU 39 1HB GLU 39 -10.466 3.158 8.778 342 1HG GLU 39 2HG GLU 39 -11.790 2.174 6.898 343 2HG GLU 39 1HG GLU 39 -10.903 0.671 7.139 344 QB GLU 39 QB GLU 39 -10.013 2.410 8.820 345 QG GLU 39 QG GLU 39 -11.347 1.423 7.019 346 H THR 40 H THR 40 -6.907 2.491 8.265 347 HA THR 40 HA THR 40 -6.615 5.186 9.193 348 HB THR 40 HB THR 40 -4.617 2.911 9.228 349 HG1 THR 40 1HG THR 40 -6.352 2.243 10.298 350 1HG2 THR 40 2HG2 THR 40 -3.595 5.117 9.698 351 2HG2 THR 40 1HG2 THR 40 -4.809 5.404 10.942 352 3HG2 THR 40 3HG2 THR 40 -3.628 4.116 11.150 353 MG THR 40 QG2 THR 40 -4.011 4.879 10.596 354 H SER 41 H SER 41 -5.276 3.319 6.523 355 HA SER 41 HA SER 41 -3.200 5.035 5.813 356 1HB SER 41 2HB SER 41 -3.489 2.690 4.996 357 2HB SER 41 1HB SER 41 -4.819 3.241 3.985 358 HG SER 41 HG SER 41 -3.069 4.799 3.180 359 QB SER 41 QB SER 41 -4.154 2.965 4.491 360 H GLN 42 H GLN 42 -6.591 4.946 4.744 361 HA GLN 42 HA GLN 42 -6.519 6.982 2.811 362 1HB GLN 42 2HB GLN 42 -8.703 6.238 4.731 363 2HB GLN 42 1HB GLN 42 -8.917 7.268 3.323 364 1HG GLN 42 2HG GLN 42 -8.540 5.563 1.843 365 2HG GLN 42 1HG GLN 42 -7.704 4.615 3.077 366 1HE2 GLN 42 1HE2 GLN 42 -9.743 4.968 5.093 367 2HE2 GLN 42 2HE2 GLN 42 -11.000 3.937 4.501 368 QB GLN 42 QB GLN 42 -8.810 6.753 4.027 369 QG GLN 42 QG GLN 42 -8.122 5.089 2.460 370 QE GLN 42 QE2 GLN 42 -10.371 4.453 4.797 371 H ALA 43 H ALA 43 -6.994 7.068 6.239 372 HA ALA 43 HA ALA 43 -7.722 9.757 6.441 373 1HB ALA 43 3HB ALA 43 -7.630 9.369 8.797 374 2HB ALA 43 1HB ALA 43 -6.538 7.979 8.558 375 3HB ALA 43 2HB ALA 43 -8.180 7.887 7.973 376 MB ALA 43 QB ALA 43 -7.449 8.412 8.442 377 H HIS 44 H HIS 44 -4.564 8.162 6.899 378 HA HIS 44 HA HIS 44 -3.257 10.670 7.469 379 1HB HIS 44 2HB HIS 44 -2.370 8.353 8.198 380 2HB HIS 44 1HB HIS 44 -1.942 8.171 6.495 381 HD1 HIS 44 1HD HIS 44 0.405 7.870 8.139 382 HD2 HIS 44 2HD HIS 44 -0.876 11.684 7.139 383 HE1 HIS 44 1HE HIS 44 2.430 9.314 8.267 384 HE2 HIS 44 2HE HIS 44 1.622 11.604 7.952 385 QB HIS 44 QB HIS 44 -2.156 8.262 7.346 386 H ASN 45 H ASN 45 -3.757 8.689 4.594 387 HA ASN 45 HA ASN 45 -1.933 10.214 3.070 388 1HB ASN 45 2HB ASN 45 -3.996 8.185 2.239 389 2HB ASN 45 1HB ASN 45 -2.992 9.037 1.068 390 1HD2 ASN 45 1HD2 ASN 45 -1.989 7.094 0.433 391 2HD2 ASN 45 2HD2 ASN 45 -0.834 6.305 1.461 392 QB ASN 45 QB ASN 45 -3.494 8.611 1.654 393 QD ASN 45 QD2 ASN 45 -1.412 6.699 0.947 394 H ALA 46 H ALA 46 -5.416 10.395 3.492 395 HA ALA 46 HA ALA 46 -5.896 12.436 1.602 396 1HB ALA 46 3HB ALA 46 -7.877 12.957 2.967 397 2HB ALA 46 1HB ALA 46 -7.211 11.983 4.276 398 3HB ALA 46 2HB ALA 46 -7.695 11.208 2.764 399 MB ALA 46 QB ALA 46 -7.595 12.049 3.336 400 H ARG 47 H ARG 47 -4.816 12.411 4.888 401 HA ARG 47 HA ARG 47 -4.771 15.165 5.428 402 1HB ARG 47 2HB ARG 47 -4.581 13.229 7.065 403 2HB ARG 47 1HB ARG 47 -2.936 13.083 6.435 404 1HG ARG 47 2HG ARG 47 -2.304 15.210 7.304 405 2HG ARG 47 1HG ARG 47 -3.953 15.518 7.861 406 1HD ARG 47 2HD ARG 47 -3.801 13.566 9.349 407 2HD ARG 47 1HD ARG 47 -2.158 13.283 8.792 408 HE ARG 47 HE ARG 47 -2.279 15.871 9.748 409 1HH1 ARG 47 1HH1 ARG 47 -2.590 12.571 11.045 410 2HH1 ARG 47 2HH1 ARG 47 -2.019 13.000 12.599 411 1HH2 ARG 47 1HH2 ARG 47 -1.490 16.410 11.939 412 2HH2 ARG 47 2HH2 ARG 47 -1.388 15.174 13.103 413 QB ARG 47 QB ARG 47 -3.758 13.156 6.750 414 QG ARG 47 QG ARG 47 -3.128 15.364 7.582 415 QD ARG 47 QD ARG 47 -2.980 13.424 9.070 416 QH1 ARG 47 QH1 ARG 47 -2.305 12.785 11.822 417 QH2 ARG 47 QH2 ARG 47 -1.439 15.792 12.521 418 H ALA 48 H ALA 48 -2.157 12.944 4.498 419 HA ALA 48 HA ALA 48 -0.443 15.148 4.260 420 1HB ALA 48 1HB ALA 48 0.405 13.059 5.097 421 2HB ALA 48 2HB ALA 48 1.295 13.593 3.677 422 3HB ALA 48 3HB ALA 48 0.112 12.278 3.536 423 MB ALA 48 QB ALA 48 0.604 12.977 4.103 424 H GLN 49 H GLN 49 -2.760 14.072 2.241 425 HA GLN 49 HA GLN 49 -3.450 14.628 0.173 426 1HB GLN 49 2HB GLN 49 -0.936 16.276 0.143 427 2HB GLN 49 1HB GLN 49 -2.191 16.393 -1.115 428 1HG GLN 49 2HG GLN 49 -3.428 17.648 0.243 429 2HG GLN 49 1HG GLN 49 -3.051 16.489 1.560 430 1HE2 GLN 49 1HE2 GLN 49 -1.578 16.935 2.993 431 2HE2 GLN 49 2HE2 GLN 49 -0.548 18.291 3.062 432 QB GLN 49 QB GLN 49 -1.564 16.335 -0.486 433 QG GLN 49 QG GLN 49 -3.239 17.069 0.902 434 QE GLN 49 QE2 GLN 49 -1.063 17.613 3.028 435 H LEU 50 H LEU 50 -1.824 12.500 0.807 436 HA LEU 50 HA LEU 50 -0.384 11.733 -1.565 437 1HB LEU 50 2HB LEU 50 -0.848 10.558 1.098 438 2HB LEU 50 1HB LEU 50 -0.535 9.445 -0.220 439 HG LEU 50 HG LEU 50 1.531 10.571 -0.688 440 1HD1 LEU 50 2HD1 LEU 50 1.039 12.797 0.060 441 2HD1 LEU 50 1HD1 LEU 50 0.967 12.247 1.731 442 3HD1 LEU 50 3HD1 LEU 50 2.495 12.191 0.855 443 1HD2 LEU 50 2HD2 LEU 50 1.518 8.664 0.820 444 2HD2 LEU 50 1HD2 LEU 50 2.784 9.821 1.261 445 3HD2 LEU 50 3HD2 LEU 50 1.283 9.774 2.176 446 MD1 LEU 50 QD1 LEU 50 1.500 12.411 0.882 447 MD2 LEU 50 QD2 LEU 50 1.862 9.420 1.419 448 QB LEU 50 QB LEU 50 -0.691 10.002 0.439 449 QD LEU 50 QQD LEU 50 1.681 10.916 1.150 450 H THR 51 H THR 51 -1.146 10.708 -3.206 451 HA THR 51 HA THR 51 -3.781 9.534 -3.000 452 HB THR 51 HB THR 51 -4.037 10.119 -5.417 453 HG1 THR 51 1HG THR 51 -1.988 10.301 -6.262 454 1HG2 THR 51 1HG2 THR 51 -4.685 11.563 -3.581 455 2HG2 THR 51 3HG2 THR 51 -3.099 12.354 -3.666 456 3HG2 THR 51 2HG2 THR 51 -4.227 12.488 -5.035 457 MG THR 51 QG2 THR 51 -4.004 12.135 -4.094 458 H GLY 52 H GLY 52 -4.071 7.507 -4.352 459 1HA GLY 52 1HA GLY 52 -2.334 5.796 -3.093 460 2HA GLY 52 2HA GLY 52 -1.713 5.982 -4.723 461 QA GLY 52 QA GLY 52 -2.024 5.889 -3.908 462 H ALA 53 H ALA 53 -2.090 3.699 -4.286 463 HA ALA 53 HA ALA 53 -4.630 2.577 -4.229 464 1HB ALA 53 3HB ALA 53 -4.836 3.357 -6.562 465 2HB ALA 53 1HB ALA 53 -4.773 1.597 -6.489 466 3HB ALA 53 2HB ALA 53 -3.347 2.518 -6.982 467 MB ALA 53 QB ALA 53 -4.319 2.490 -6.677 468 H LEU 54 H LEU 54 -4.443 0.146 -4.578 469 HA LEU 54 HA LEU 54 -1.771 -0.813 -4.683 470 1HB LEU 54 2HB LEU 54 -1.749 -1.973 -2.548 471 2HB LEU 54 1HB LEU 54 -1.918 -0.251 -2.325 472 HG LEU 54 HG LEU 54 -4.410 -0.717 -1.918 473 1HD1 LEU 54 2HD1 LEU 54 -4.454 -3.020 -2.796 474 2HD1 LEU 54 1HD1 LEU 54 -3.383 -3.535 -1.495 475 3HD1 LEU 54 3HD1 LEU 54 -5.002 -2.937 -1.128 476 1HD2 LEU 54 3HD2 LEU 54 -2.328 -1.744 -0.014 477 2HD2 LEU 54 2HD2 LEU 54 -2.870 -0.073 -0.167 478 3HD2 LEU 54 1HD2 LEU 54 -3.970 -1.306 0.440 479 MD1 LEU 54 QD1 LEU 54 -4.280 -3.164 -1.806 480 MD2 LEU 54 QD2 LEU 54 -3.056 -1.041 0.086 481 QB LEU 54 QB LEU 54 -1.833 -1.112 -2.437 482 QD LEU 54 QQD LEU 54 -3.668 -2.102 -0.860 483 H PHE 55 H PHE 55 -1.613 -2.997 -4.980 484 HA PHE 55 HA PHE 55 -4.105 -4.346 -5.645 485 1HB PHE 55 2HB PHE 55 -1.546 -4.383 -7.283 486 2HB PHE 55 1HB PHE 55 -2.988 -5.334 -7.616 487 HD1 PHE 55 1HD PHE 55 -5.120 -4.136 -8.224 488 HD2 PHE 55 2HD PHE 55 -1.352 -2.170 -8.061 489 HE1 PHE 55 1HE PHE 55 -6.027 -2.293 -9.575 490 HE2 PHE 55 2HE PHE 55 -2.248 -0.321 -9.419 491 HZ PHE 55 HZ PHE 55 -4.590 -0.380 -10.174 492 QB PHE 55 QB PHE 55 -2.267 -4.859 -7.449 493 QD PHE 55 QD PHE 55 -3.236 -3.153 -8.143 494 QE PHE 55 QE PHE 55 -4.138 -1.307 -9.497 495 QR PHE 55 QR PHE 55 -3.868 -1.860 -9.091 496 H TYR 56 H TYR 56 -4.261 -6.003 -4.431 497 HA TYR 56 HA TYR 56 -1.852 -7.294 -3.354 498 1HB TYR 56 2HB TYR 56 -3.427 -6.334 -1.698 499 2HB TYR 56 1HB TYR 56 -4.735 -7.300 -2.316 500 HD1 TYR 56 1HD TYR 56 -3.513 -10.019 -2.438 501 HD2 TYR 56 2HD TYR 56 -3.045 -6.942 0.446 502 HE1 TYR 56 1HE TYR 56 -2.978 -11.709 -0.739 503 HE2 TYR 56 2HE TYR 56 -2.505 -8.629 2.161 504 HH TYR 56 HH TYR 56 -1.834 -11.880 1.370 505 QB TYR 56 QB TYR 56 -4.081 -6.817 -2.007 506 QD TYR 56 QD TYR 56 -3.279 -8.481 -0.996 507 QE TYR 56 QE TYR 56 -2.742 -10.169 0.711 508 QR TYR 56 QR TYR 56 -3.010 -9.325 -0.142 509 H SER 57 H SER 57 -1.371 -9.012 -4.542 510 HA SER 57 HA SER 57 -3.587 -10.483 -5.745 511 1HB SER 57 2HB SER 57 -0.770 -10.160 -6.787 512 2HB SER 57 1HB SER 57 -2.064 -11.060 -7.578 513 HG SER 57 HG SER 57 -3.246 -8.998 -7.398 514 QB SER 57 QB SER 57 -1.417 -10.610 -7.182 515 H GLN 58 H GLN 58 -3.882 -11.872 -4.088 516 HA GLN 58 HA GLN 58 -3.769 -13.735 -2.911 517 1HB GLN 58 2HB GLN 58 -3.331 -14.675 -5.087 518 2HB GLN 58 1HB GLN 58 -1.604 -14.503 -4.858 519 1HG GLN 58 2HG GLN 58 -1.630 -16.098 -3.027 520 2HG GLN 58 1HG GLN 58 -3.381 -16.239 -3.139 521 1HE2 GLN 58 1HE2 GLN 58 -3.444 -16.318 -6.074 522 2HE2 GLN 58 2HE2 GLN 58 -2.811 -17.835 -6.523 523 QB GLN 58 QB GLN 58 -2.467 -14.589 -4.972 524 QG GLN 58 QG GLN 58 -2.506 -16.169 -3.083 525 QE GLN 58 QE2 GLN 58 -3.127 -17.077 -6.299 526 H GLY 59 H GLY 59 -0.364 -13.207 -3.593 527 1HA GLY 59 1HA GLY 59 1.121 -14.005 -1.668 528 2HA GLY 59 2HA GLY 59 0.044 -13.042 -0.678 529 QA GLY 59 QA GLY 59 0.582 -13.524 -1.173 530 H VAL 60 H VAL 60 0.765 -11.747 -3.815 531 HA VAL 60 HA VAL 60 2.960 -10.256 -2.687 532 HB VAL 60 HB VAL 60 3.513 -9.495 -4.912 533 1HG1 VAL 60 2HG1 VAL 60 2.951 -12.443 -4.887 534 2HG1 VAL 60 1HG1 VAL 60 4.031 -11.627 -6.017 535 3HG1 VAL 60 3HG1 VAL 60 4.397 -11.625 -4.291 536 1HG2 VAL 60 2HG2 VAL 60 1.256 -9.229 -5.860 537 2HG2 VAL 60 1HG2 VAL 60 2.270 -10.207 -6.925 538 3HG2 VAL 60 3HG2 VAL 60 1.070 -10.981 -5.892 539 MG1 VAL 60 QG1 VAL 60 3.793 -11.898 -5.065 540 MG2 VAL 60 QG2 VAL 60 1.532 -10.139 -6.226 541 QG VAL 60 QQG VAL 60 2.662 -11.019 -5.645 542 H PHE 61 H PHE 61 2.929 -8.239 -2.279 543 HA PHE 61 HA PHE 61 0.332 -6.838 -2.260 544 1HB PHE 61 2HB PHE 61 2.270 -7.522 -0.417 545 2HB PHE 61 1HB PHE 61 2.578 -5.844 -0.768 546 HD1 PHE 61 1HD PHE 61 1.973 -7.121 1.772 547 HD2 PHE 61 2HD PHE 61 -0.592 -5.293 -1.085 548 HE1 PHE 61 1HE PHE 61 0.478 -6.576 3.552 549 HE2 PHE 61 2HE PHE 61 -2.160 -4.706 0.725 550 HZ PHE 61 HZ PHE 61 -1.594 -5.321 3.064 551 QB PHE 61 QB PHE 61 2.424 -6.683 -0.592 552 QD PHE 61 QD PHE 61 0.691 -6.207 0.343 553 QE PHE 61 QE PHE 61 -0.841 -5.641 2.138 554 QR PHE 61 QR PHE 61 -0.379 -5.803 1.605 555 H PHE 62 H PHE 62 0.474 -5.419 -4.179 556 HA PHE 62 HA PHE 62 2.969 -3.873 -4.322 557 1HB PHE 62 2HB PHE 62 2.399 -5.005 -6.446 558 2HB PHE 62 1HB PHE 62 0.831 -4.190 -6.454 559 HD1 PHE 62 1HD PHE 62 4.492 -3.481 -6.423 560 HD2 PHE 62 2HD PHE 62 0.613 -2.168 -7.579 561 HE1 PHE 62 1HE PHE 62 5.499 -1.600 -7.646 562 HE2 PHE 62 2HE PHE 62 1.612 -0.288 -8.817 563 HZ PHE 62 HZ PHE 62 4.059 0.000 -8.847 564 QB PHE 62 QB PHE 62 1.615 -4.598 -6.450 565 QD PHE 62 QD PHE 62 2.553 -2.824 -7.001 566 QE PHE 62 QE PHE 62 3.555 -0.944 -8.231 567 QR PHE 62 QR PHE 62 3.255 -1.507 -7.862 568 H GLN 63 H GLN 63 2.884 -1.889 -3.581 569 HA GLN 63 HA GLN 63 0.274 -0.556 -3.301 570 1HB GLN 63 2HB GLN 63 1.092 -1.967 -1.298 571 2HB GLN 63 1HB GLN 63 2.360 -0.783 -1.143 572 1HG GLN 63 2HG GLN 63 -0.600 -0.275 -0.815 573 2HG GLN 63 1HG GLN 63 0.581 -0.496 0.455 574 1HE2 GLN 63 1HE2 GLN 63 -1.139 1.587 0.214 575 2HE2 GLN 63 2HE2 GLN 63 -0.237 3.071 -0.028 576 QB GLN 63 QB GLN 63 1.726 -1.375 -1.221 577 QG GLN 63 QG GLN 63 -0.009 -0.385 -0.180 578 QE GLN 63 QE2 GLN 63 -0.688 2.329 0.093 579 H TRP 64 H TRP 64 0.591 1.598 -3.994 580 HA TRP 64 HA TRP 64 3.165 2.641 -3.377 581 1HB TRP 64 2HB TRP 64 3.752 3.423 -5.488 582 2HB TRP 64 1HB TRP 64 3.182 1.769 -5.799 583 HD1 TRP 64 HD TRP 64 3.277 5.045 -7.123 584 HE1 TRP 64 1HE TRP 64 1.478 5.484 -8.817 585 HE3 TRP 64 3HE TRP 64 0.217 1.131 -6.009 586 HZ2 TRP 64 2HZ TRP 64 -0.986 4.333 -9.620 587 HZ3 TRP 64 3HZ TRP 64 -1.881 0.903 -7.269 588 HH2 TRP 64 HH TRP 64 -2.451 2.458 -9.054 589 QB TRP 64 QB TRP 64 3.467 2.596 -5.643 590 H LEU 65 H LEU 65 3.189 5.046 -3.706 591 HA LEU 65 HA LEU 65 0.595 6.286 -3.604 592 1HB LEU 65 2HB LEU 65 1.541 7.451 -1.418 593 2HB LEU 65 1HB LEU 65 0.511 6.054 -1.339 594 HG LEU 65 HG LEU 65 2.830 4.790 -1.420 595 1HD1 LEU 65 3HD1 LEU 65 4.215 6.704 -1.733 596 2HD1 LEU 65 2HD1 LEU 65 3.615 7.406 -0.227 597 3HD1 LEU 65 1HD1 LEU 65 4.567 5.924 -0.189 598 1HD2 LEU 65 1HD2 LEU 65 1.709 6.082 1.049 599 2HD2 LEU 65 3HD2 LEU 65 1.238 4.533 0.342 600 3HD2 LEU 65 2HD2 LEU 65 2.853 4.729 1.011 601 MD1 LEU 65 QD1 LEU 65 4.132 6.678 -0.716 602 MD2 LEU 65 QD2 LEU 65 1.934 5.115 0.800 603 QB LEU 65 QB LEU 65 1.026 6.753 -1.378 604 QD LEU 65 QQD LEU 65 3.033 5.896 0.042 605 H GLU 66 H GLU 66 0.521 8.330 -4.116 606 HA GLU 66 HA GLU 66 2.922 9.623 -5.211 607 1HB GLU 66 2HB GLU 66 0.025 10.457 -5.396 608 2HB GLU 66 1HB GLU 66 1.381 10.979 -6.369 609 1HG GLU 66 2HG GLU 66 1.402 8.899 -7.555 610 2HG GLU 66 1HG GLU 66 0.146 8.237 -6.497 611 QB GLU 66 QB GLU 66 0.703 10.718 -5.882 612 QG GLU 66 QG GLU 66 0.774 8.568 -7.026 613 H GLY 67 H GLY 67 3.750 11.261 -3.882 614 1HA GLY 67 1HA GLY 67 2.707 12.012 -1.476 615 2HA GLY 67 2HA GLY 67 1.900 13.023 -2.675 616 QA GLY 67 QA GLY 67 2.304 12.518 -2.076 617 H HIS 68 H HIS 68 3.193 14.578 -1.141 618 HA HIS 68 HA HIS 68 5.538 15.505 -2.487 619 1HB HIS 68 2HB HIS 68 4.196 17.158 -1.383 620 2HB HIS 68 1HB HIS 68 4.208 16.318 0.135 621 HD1 HIS 68 1HD HIS 68 6.129 16.782 1.719 622 HD2 HIS 68 2HD HIS 68 6.259 18.498 -1.937 623 HE1 HIS 68 1HE HIS 68 8.193 18.141 1.856 624 HE2 HIS 68 2HE HIS 68 8.034 19.575 -0.265 625 QB HIS 68 QB HIS 68 4.202 16.738 -0.624 626 HA PRO 69 HA PRO 69 8.638 12.541 -1.235 627 1HB PRO 69 2HB PRO 69 10.495 14.523 -0.307 628 2HB PRO 69 1HB PRO 69 10.531 13.596 -1.808 629 1HG PRO 69 2HG PRO 69 9.491 16.320 -1.302 630 2HG PRO 69 1HG PRO 69 10.087 15.602 -2.810 631 1HD PRO 69 2HD PRO 69 7.502 16.090 -2.470 632 2HD PRO 69 1HD PRO 69 8.022 14.604 -3.282 633 QB PRO 69 QB PRO 69 10.513 14.059 -1.058 634 QG PRO 69 QG PRO 69 9.789 15.961 -2.056 635 QD PRO 69 QD PRO 69 7.762 15.347 -2.876 636 H ALA 70 H ALA 70 8.368 15.134 1.159 637 HA ALA 70 HA ALA 70 9.391 13.314 3.110 638 1HB ALA 70 3HB ALA 70 9.954 15.681 3.268 639 2HB ALA 70 1HB ALA 70 9.161 15.050 4.725 640 3HB ALA 70 2HB ALA 70 8.236 16.027 3.552 641 MB ALA 70 QB ALA 70 9.117 15.586 3.848 642 H ALA 71 H ALA 71 6.302 14.233 2.176 643 HA ALA 71 HA ALA 71 4.930 13.324 4.454 644 1HB ALA 71 3HB ALA 71 4.274 13.357 1.581 645 2HB ALA 71 2HB ALA 71 3.073 13.050 2.834 646 3HB ALA 71 1HB ALA 71 3.870 14.659 2.717 647 MB ALA 71 QB ALA 71 3.739 13.689 2.377 648 H VAL 72 H VAL 72 5.988 12.086 1.429 649 HA VAL 72 HA VAL 72 5.035 9.437 1.476 650 HB VAL 72 HB VAL 72 7.679 10.161 0.257 651 1HG1 VAL 72 3HG1 VAL 72 6.866 7.914 0.132 652 2HG1 VAL 72 2HG1 VAL 72 5.384 8.583 -0.598 653 3HG1 VAL 72 1HG1 VAL 72 6.933 8.712 -1.474 654 1HG2 VAL 72 2HG2 VAL 72 5.017 10.884 -0.870 655 2HG2 VAL 72 1HG2 VAL 72 6.334 11.971 -0.290 656 3HG2 VAL 72 3HG2 VAL 72 6.581 10.949 -1.720 657 MG1 VAL 72 QG1 VAL 72 6.394 8.403 -0.647 658 MG2 VAL 72 QG2 VAL 72 5.977 11.268 -0.960 659 QG VAL 72 QQG VAL 72 6.186 9.836 -0.803 660 H ALA 73 H ALA 73 8.046 10.932 2.526 661 HA ALA 73 HA ALA 73 9.170 8.516 3.358 662 1HB ALA 73 3HB ALA 73 9.878 11.287 4.167 663 2HB ALA 73 2HB ALA 73 10.782 9.748 4.488 664 3HB ALA 73 1HB ALA 73 10.562 10.319 2.818 665 MB ALA 73 QB ALA 73 10.408 10.451 3.825 666 H GLU 74 H GLU 74 7.396 11.008 5.086 667 HA GLU 74 HA GLU 74 7.569 9.950 7.705 668 1HB GLU 74 2HB GLU 74 6.511 12.153 7.130 669 2HB GLU 74 1HB GLU 74 5.179 11.286 6.391 670 1HG GLU 74 2HG GLU 74 4.606 10.319 8.567 671 2HG GLU 74 1HG GLU 74 5.938 11.208 9.300 672 QB GLU 74 QB GLU 74 5.845 11.719 6.760 673 QG GLU 74 QG GLU 74 5.272 10.763 8.934 674 H VAL 75 H VAL 75 5.496 9.235 5.027 675 HA VAL 75 HA VAL 75 4.093 7.137 6.234 676 HB VAL 75 HB VAL 75 4.564 7.992 3.381 677 1HG1 VAL 75 1HG1 VAL 75 2.906 5.637 4.267 678 2HG1 VAL 75 3HG1 VAL 75 2.987 6.342 2.644 679 3HG1 VAL 75 2HG1 VAL 75 4.417 5.580 3.340 680 1HG2 VAL 75 2HG2 VAL 75 2.136 7.878 5.147 681 2HG2 VAL 75 1HG2 VAL 75 3.049 9.325 4.704 682 3HG2 VAL 75 3HG2 VAL 75 2.159 8.423 3.473 683 MG1 VAL 75 QG1 VAL 75 3.437 5.853 3.417 684 MG2 VAL 75 QG2 VAL 75 2.448 8.542 4.441 685 QG VAL 75 QQG VAL 75 2.942 7.198 3.929 686 H MET 76 H MET 76 6.998 7.079 4.027 687 HA MET 76 HA MET 76 7.540 4.441 4.123 688 1HB MET 76 2HB MET 76 9.518 6.714 4.170 689 2HB MET 76 1HB MET 76 9.931 5.061 3.817 690 1HG MET 76 2HG MET 76 7.880 6.434 2.297 691 2HG MET 76 1HG MET 76 9.570 6.728 1.832 692 1HE MET 76 2HE MET 76 6.473 4.703 2.028 693 2HE MET 76 1HE MET 76 6.743 3.205 1.087 694 3HE MET 76 3HE MET 76 7.421 3.363 2.695 695 QB MET 76 QB MET 76 9.724 5.888 3.993 696 QG MET 76 QG MET 76 8.725 6.581 2.064 697 ME MET 76 QE MET 76 6.879 3.757 1.936 698 H SER 77 H SER 77 8.682 6.830 6.505 699 HA SER 77 HA SER 77 10.033 5.017 8.095 700 1HB SER 77 2HB SER 77 8.503 7.484 8.938 701 2HB SER 77 1HB SER 77 9.695 6.650 9.941 702 HG SER 77 HG SER 77 10.804 7.114 7.581 703 QB SER 77 QB SER 77 9.099 7.067 9.440 704 H HIS 78 H HIS 78 6.600 5.958 8.281 705 HA HIS 78 HA HIS 78 5.857 4.265 10.430 706 1HB HIS 78 2HB HIS 78 4.304 5.447 8.147 707 2HB HIS 78 1HB HIS 78 3.534 4.279 9.192 708 HD1 HIS 78 1HD HIS 78 5.025 7.755 9.273 709 HD2 HIS 78 2HD HIS 78 2.682 5.256 11.613 710 HE1 HIS 78 1HE HIS 78 4.060 9.214 11.068 711 HE2 HIS 78 2HE HIS 78 2.868 7.621 12.606 712 QB HIS 78 QB HIS 78 3.919 4.863 8.670 713 H ILE 79 H ILE 79 6.163 3.652 7.062 714 HA ILE 79 HA ILE 79 4.924 1.047 7.109 715 HB ILE 79 HB ILE 79 5.987 2.917 5.091 716 1HG1 ILE 79 2HG1 ILE 79 3.370 1.445 5.336 717 2HG1 ILE 79 1HG1 ILE 79 3.678 3.141 5.698 718 1HG2 ILE 79 1HG2 ILE 79 5.769 0.033 4.571 719 2HG2 ILE 79 3HG2 ILE 79 5.501 1.215 3.293 720 3HG2 ILE 79 2HG2 ILE 79 7.048 1.177 4.142 721 1HD1 ILE 79 1HD1 ILE 79 4.192 3.492 3.313 722 2HD1 ILE 79 3HD1 ILE 79 3.774 1.808 3.014 723 3HD1 ILE 79 2HD1 ILE 79 2.543 2.931 3.591 724 MG ILE 79 QG2 ILE 79 6.106 0.808 4.002 725 MD ILE 79 QD1 ILE 79 3.503 2.744 3.306 726 QG ILE 79 QG1 ILE 79 3.524 2.293 5.517 727 H GLN 80 H GLN 80 8.239 2.109 6.439 728 HA GLN 80 HA GLN 80 9.328 -0.388 6.134 729 1HB GLN 80 2HB GLN 80 10.550 2.233 6.943 730 2HB GLN 80 1HB GLN 80 11.479 0.803 6.501 731 1HG GLN 80 2HG GLN 80 9.518 2.248 4.643 732 2HG GLN 80 1HG GLN 80 11.217 2.308 4.524 733 1HE2 GLN 80 1HE2 GLN 80 8.564 0.372 4.112 734 2HE2 GLN 80 2HE2 GLN 80 9.441 -0.815 3.202 735 QB GLN 80 QB GLN 80 11.014 1.518 6.722 736 QG GLN 80 QG GLN 80 10.368 2.278 4.584 737 QE GLN 80 QE2 GLN 80 9.002 -0.221 3.657 738 H ARG 81 H ARG 81 8.274 1.028 9.068 739 HA ARG 81 HA ARG 81 9.908 -0.707 10.713 740 1HB ARG 81 2HB ARG 81 7.804 1.370 11.240 741 2HB ARG 81 1HB ARG 81 8.158 0.179 12.481 742 1HG ARG 81 2HG ARG 81 9.382 2.281 12.814 743 2HG ARG 81 1HG ARG 81 10.447 0.890 12.579 744 1HD ARG 81 2HD ARG 81 10.800 1.559 10.263 745 2HD ARG 81 1HD ARG 81 9.696 2.908 10.486 746 HE ARG 81 HE ARG 81 11.552 3.297 12.397 747 1HH1 ARG 81 1HH1 ARG 81 11.783 2.783 8.919 748 2HH1 ARG 81 2HH1 ARG 81 13.166 3.749 8.701 749 1HH2 ARG 81 1HH2 ARG 81 13.401 4.648 12.129 750 2HH2 ARG 81 2HH2 ARG 81 14.120 4.845 10.589 751 QB ARG 81 QB ARG 81 7.981 0.774 11.861 752 QG ARG 81 QG ARG 81 9.914 1.586 12.696 753 QD ARG 81 QD ARG 81 10.248 2.233 10.375 754 QH1 ARG 81 QH1 ARG 81 12.475 3.266 8.810 755 QH2 ARG 81 QH2 ARG 81 13.761 4.747 11.359 756 H ASP 82 H ASP 82 8.082 -1.597 8.633 757 HA ASP 82 HA ASP 82 5.902 -2.852 9.054 758 1HB ASP 82 2HB ASP 82 6.447 -3.284 7.129 759 2HB ASP 82 1HB ASP 82 8.170 -3.520 7.326 760 QB ASP 82 QB ASP 82 7.308 -3.402 7.227 761 H ARG 83 H ARG 83 5.347 -5.016 9.063 762 HA ARG 83 HA ARG 83 5.802 -6.839 10.954 763 1HB ARG 83 2HB ARG 83 4.294 -6.012 12.847 764 2HB ARG 83 1HB ARG 83 5.853 -5.219 12.717 765 1HG ARG 83 2HG ARG 83 4.654 -3.450 11.359 766 2HG ARG 83 1HG ARG 83 3.154 -4.130 11.975 767 1HD ARG 83 2HD ARG 83 3.728 -2.383 13.500 768 2HD ARG 83 1HD ARG 83 4.137 -3.888 14.308 769 HE ARG 83 HE ARG 83 6.393 -2.972 12.918 770 1HH1 ARG 83 1HH1 ARG 83 4.444 -1.859 15.646 771 2HH1 ARG 83 2HH1 ARG 83 5.781 -1.225 16.494 772 1HH2 ARG 83 1HH2 ARG 83 8.202 -2.029 14.067 773 2HH2 ARG 83 2HH2 ARG 83 7.930 -1.310 15.575 774 QB ARG 83 QB ARG 83 5.074 -5.616 12.782 775 QG ARG 83 QG ARG 83 3.904 -3.790 11.667 776 QD ARG 83 QD ARG 83 3.932 -3.136 13.904 777 QH1 ARG 83 QH1 ARG 83 5.113 -1.542 16.070 778 QH2 ARG 83 QH2 ARG 83 8.066 -1.669 14.821 779 H ARG 84 H ARG 84 3.544 -4.800 9.114 780 HA ARG 84 HA ARG 84 1.720 -7.078 9.000 781 1HB ARG 84 2HB ARG 84 1.097 -4.148 8.911 782 2HB ARG 84 1HB ARG 84 0.061 -5.319 8.101 783 1HG ARG 84 2HG ARG 84 -0.919 -4.899 10.188 784 2HG ARG 84 1HG ARG 84 -0.174 -6.490 10.318 785 1HD ARG 84 2HD ARG 84 0.210 -5.298 12.336 786 2HD ARG 84 1HD ARG 84 1.736 -5.382 11.461 787 HE ARG 84 HE ARG 84 1.665 -3.071 11.144 788 1HH1 ARG 84 1HH1 ARG 84 -1.427 -4.118 12.534 789 2HH1 ARG 84 2HH1 ARG 84 -1.866 -2.557 13.035 790 1HH2 ARG 84 1HH2 ARG 84 1.066 -0.973 11.856 791 2HH2 ARG 84 2HH2 ARG 84 -0.403 -0.698 12.637 792 QB ARG 84 QB ARG 84 0.579 -4.733 8.506 793 QG ARG 84 QG ARG 84 -0.547 -5.695 10.253 794 QD ARG 84 QD ARG 84 0.973 -5.340 11.899 795 QH1 ARG 84 QH1 ARG 84 -1.646 -3.338 12.785 796 QH2 ARG 84 QH2 ARG 84 0.332 -0.836 12.246 797 H HIS 85 H HIS 85 4.092 -6.433 7.080 798 HA HIS 85 HA HIS 85 2.821 -7.298 4.768 799 1HB HIS 85 2HB HIS 85 3.528 -5.403 3.263 800 2HB HIS 85 1HB HIS 85 2.048 -5.165 4.157 801 HD1 HIS 85 1HD HIS 85 2.944 -2.562 3.285 802 HD2 HIS 85 2HD HIS 85 4.834 -4.282 6.565 803 HE1 HIS 85 1HE HIS 85 4.073 -0.750 4.496 804 HE2 HIS 85 2HE HIS 85 5.097 -1.755 6.504 805 QB HIS 85 QB HIS 85 2.788 -5.284 3.710 806 H SER 86 H SER 86 4.145 -8.772 4.520 807 HA SER 86 HA SER 86 6.086 -9.518 5.621 808 1HB SER 86 2HB SER 86 5.361 -9.720 3.092 809 2HB SER 86 1HB SER 86 7.065 -10.386 3.252 810 HG SER 86 HG SER 86 5.161 -11.783 3.495 811 QB SER 86 QB SER 86 6.213 -10.053 3.172 812 H ASN 87 H ASN 87 7.229 -7.416 3.246 813 HA ASN 87 HA ASN 87 9.563 -7.022 4.944 814 1HB ASN 87 2HB ASN 87 10.119 -7.311 2.039 815 2HB ASN 87 1HB ASN 87 11.296 -7.468 3.352 816 1HD2 ASN 87 1HD2 ASN 87 9.535 -8.940 1.038 817 2HD2 ASN 87 2HD2 ASN 87 9.554 -10.569 1.629 818 QB ASN 87 QB ASN 87 10.708 -7.390 2.695 819 QD ASN 87 QD2 ASN 87 9.544 -9.754 1.333 820 H VAL 88 H VAL 88 7.358 -5.659 3.235 821 HA VAL 88 HA VAL 88 7.393 -4.108 1.532 822 HB VAL 88 HB VAL 88 6.170 -3.343 3.298 823 1HG1 VAL 88 3HG1 VAL 88 7.694 -3.424 5.103 824 2HG1 VAL 88 2HG1 VAL 88 8.525 -1.942 4.472 825 3HG1 VAL 88 1HG1 VAL 88 6.803 -1.894 4.918 826 1HG2 VAL 88 2HG2 VAL 88 6.558 -1.771 1.406 827 2HG2 VAL 88 1HG2 VAL 88 6.124 -0.982 2.925 828 3HG2 VAL 88 3HG2 VAL 88 7.784 -0.984 2.405 829 MG1 VAL 88 QG1 VAL 88 7.674 -2.420 4.831 830 MG2 VAL 88 QG2 VAL 88 6.822 -1.245 2.245 831 QG VAL 88 QQG VAL 88 7.248 -1.833 3.538 832 H GLU 89 H GLU 89 8.791 -4.469 0.205 833 HA GLU 89 HA GLU 89 11.258 -2.953 0.343 834 1HB GLU 89 2HB GLU 89 10.285 -5.086 -1.531 835 2HB GLU 89 1HB GLU 89 11.891 -4.363 -1.564 836 1HG GLU 89 2HG GLU 89 12.596 -5.444 0.221 837 2HG GLU 89 1HG GLU 89 10.996 -5.359 0.952 838 QB GLU 89 QB GLU 89 11.088 -4.725 -1.547 839 QG GLU 89 QG GLU 89 11.796 -5.402 0.586 840 H ILE 90 H ILE 90 10.332 -1.051 0.055 841 HA ILE 90 HA ILE 90 8.844 0.105 -1.981 842 HB ILE 90 HB ILE 90 11.472 1.345 -1.266 843 1HG1 ILE 90 2HG1 ILE 90 10.776 0.480 0.869 844 2HG1 ILE 90 1HG1 ILE 90 10.527 2.216 0.848 845 1HG2 ILE 90 2HG2 ILE 90 8.676 2.480 -1.428 846 2HG2 ILE 90 1HG2 ILE 90 10.101 3.410 -1.109 847 3HG2 ILE 90 3HG2 ILE 90 9.919 2.654 -2.696 848 1HD1 ILE 90 2HD1 ILE 90 8.187 1.870 0.364 849 2HD1 ILE 90 1HD1 ILE 90 8.437 0.127 0.442 850 3HD1 ILE 90 3HD1 ILE 90 8.663 1.114 1.896 851 MG ILE 90 QG2 ILE 90 9.565 2.848 -1.744 852 MD ILE 90 QD1 ILE 90 8.429 1.037 0.901 853 QG ILE 90 QG1 ILE 90 10.652 1.348 0.859 854 H LEU 91 H LEU 91 12.208 0.131 -2.219 855 HA LEU 91 HA LEU 91 13.699 -0.409 -3.807 856 1HB LEU 91 2HB LEU 91 11.470 -2.053 -4.990 857 2HB LEU 91 1HB LEU 91 13.136 -2.107 -5.520 858 HG LEU 91 HG LEU 91 12.143 -2.940 -2.768 859 1HD1 LEU 91 2HD1 LEU 91 13.107 -4.555 -5.119 860 2HD1 LEU 91 1HD1 LEU 91 12.699 -5.185 -3.525 861 3HD1 LEU 91 3HD1 LEU 91 11.450 -4.461 -4.533 862 1HD2 LEU 91 2HD2 LEU 91 14.883 -3.084 -4.031 863 2HD2 LEU 91 1HD2 LEU 91 14.413 -2.051 -2.678 864 3HD2 LEU 91 3HD2 LEU 91 14.423 -3.806 -2.490 865 MD1 LEU 91 QD1 LEU 91 12.419 -4.734 -4.392 866 MD2 LEU 91 QD2 LEU 91 14.573 -2.980 -3.066 867 QB LEU 91 QB LEU 91 12.303 -2.080 -5.255 868 QD LEU 91 QQD LEU 91 13.496 -3.857 -3.729 869 H ALA 92 H ALA 92 10.698 0.942 -4.766 870 HA ALA 92 HA ALA 92 12.049 2.254 -7.025 871 1HB ALA 92 1HB ALA 92 10.466 0.671 -7.916 872 2HB ALA 92 2HB ALA 92 9.814 2.315 -8.117 873 3HB ALA 92 3HB ALA 92 9.220 1.275 -6.827 874 MB ALA 92 QB ALA 92 9.833 1.421 -7.620 875 H GLU 93 H GLU 93 12.316 4.269 -6.454 876 HA GLU 93 HA GLU 93 10.034 5.732 -5.397 877 1HB GLU 93 2HB GLU 93 12.878 6.139 -4.348 878 2HB GLU 93 1HB GLU 93 11.425 7.043 -3.928 879 1HG GLU 93 2HG GLU 93 10.430 5.239 -2.963 880 2HG GLU 93 1HG GLU 93 11.797 4.176 -3.350 881 QB GLU 93 QB GLU 93 12.151 6.591 -4.138 882 QG GLU 93 QG GLU 93 11.114 4.708 -3.157 883 H GLU 94 H GLU 94 9.560 7.041 -6.916 884 HA GLU 94 HA GLU 94 11.722 8.377 -8.355 885 1HB GLU 94 2HB GLU 94 10.242 8.192 -10.411 886 2HB GLU 94 1HB GLU 94 11.010 6.703 -9.866 887 1HG GLU 94 2HG GLU 94 8.802 6.226 -8.675 888 2HG GLU 94 1HG GLU 94 8.132 7.535 -9.651 889 QB GLU 94 QB GLU 94 10.626 7.448 -10.138 890 QG GLU 94 QG GLU 94 8.467 6.880 -9.163 891 H SER 95 H SER 95 11.377 10.453 -8.955 892 HA SER 95 HA SER 95 9.479 11.896 -7.397 893 1HB SER 95 2HB SER 95 11.421 12.815 -9.509 894 2HB SER 95 1HB SER 95 10.544 13.845 -8.364 895 HG SER 95 HG SER 95 12.046 13.495 -7.054 896 QB SER 95 QB SER 95 10.982 13.330 -8.936 897 H ILE 96 H ILE 96 7.620 12.624 -8.039 898 HA ILE 96 HA ILE 96 6.861 12.089 -10.845 899 HB ILE 96 HB ILE 96 4.669 11.612 -10.141 900 1HG1 ILE 96 2HG1 ILE 96 5.751 11.152 -7.379 901 2HG1 ILE 96 1HG1 ILE 96 5.053 12.697 -7.822 902 1HG2 ILE 96 3HG2 ILE 96 6.240 9.845 -10.723 903 2HG2 ILE 96 2HG2 ILE 96 6.850 9.799 -9.073 904 3HG2 ILE 96 1HG2 ILE 96 5.198 9.269 -9.418 905 1HD1 ILE 96 2HD1 ILE 96 3.512 10.166 -8.179 906 2HD1 ILE 96 1HD1 ILE 96 3.602 11.081 -6.633 907 3HD1 ILE 96 3HD1 ILE 96 3.031 11.872 -8.069 908 MG ILE 96 QG2 ILE 96 6.096 9.638 -9.738 909 MD ILE 96 QD1 ILE 96 3.382 11.040 -7.627 910 QG ILE 96 QG1 ILE 96 5.402 11.925 -7.600 911 H ALA 97 H ALA 97 4.846 13.038 -11.539 912 HA ALA 97 HA ALA 97 4.705 15.809 -10.669 913 1HB ALA 97 2HB ALA 97 4.979 15.522 -13.056 914 2HB ALA 97 3HB ALA 97 3.327 16.112 -12.672 915 3HB ALA 97 1HB ALA 97 3.578 14.422 -13.045 916 MB ALA 97 QB ALA 97 3.962 15.352 -12.924 917 H LYS 98 H LYS 98 3.489 13.153 -10.072 918 HA LYS 98 HA LYS 98 1.630 12.162 -9.241 919 1HB LYS 98 2HB LYS 98 2.540 13.876 -7.747 920 2HB LYS 98 1HB LYS 98 1.226 14.895 -8.251 921 1HG LYS 98 2HG LYS 98 0.348 12.306 -7.413 922 2HG LYS 98 1HG LYS 98 1.439 13.086 -6.297 923 1HD LYS 98 2HD LYS 98 -0.514 14.875 -7.265 924 2HD LYS 98 1HD LYS 98 -1.206 13.531 -6.283 925 1HE LYS 98 2HE LYS 98 0.502 13.908 -4.764 926 2HE LYS 98 1HE LYS 98 1.044 15.324 -5.693 927 1HZ LYS 98 1HZ LYS 98 -1.198 16.308 -5.353 928 2HZ LYS 98 3HZ LYS 98 -1.612 15.055 -4.299 929 3HZ LYS 98 2HZ LYS 98 -0.397 16.153 -3.893 930 QB LYS 98 QB LYS 98 1.883 14.385 -7.999 931 QD LYS 98 QD LYS 98 -0.860 14.203 -6.774 932 QG LYS 98 QG LYS 98 0.894 12.696 -6.855 933 QE LYS 98 QE LYS 98 0.773 14.616 -5.229 934 QZ LYS 98 QZ LYS 98 -1.069 15.839 -4.515 935 H ARG 99 H ARG 99 -0.818 12.913 -8.740 936 HA ARG 99 HA ARG 99 -2.854 13.614 -9.396 937 1HB ARG 99 2HB ARG 99 -1.515 15.528 -10.600 938 2HB ARG 99 1HB ARG 99 -1.760 14.599 -12.039 939 1HG ARG 99 2HG ARG 99 -3.455 16.311 -11.919 940 2HG ARG 99 1HG ARG 99 -4.227 14.739 -11.679 941 1HD ARG 99 2HD ARG 99 -4.258 15.070 -9.286 942 2HD ARG 99 1HD ARG 99 -3.354 16.572 -9.453 943 HE ARG 99 HE ARG 99 -6.008 16.257 -10.641 944 1HH1 ARG 99 1HH1 ARG 99 -3.836 17.898 -8.361 945 2HH1 ARG 99 2HH1 ARG 99 -4.917 19.142 -7.977 946 1HH2 ARG 99 1HH2 ARG 99 -7.526 17.992 -10.106 947 2HH2 ARG 99 2HH2 ARG 99 -7.071 19.201 -8.997 948 QB ARG 99 QB ARG 99 -1.637 15.064 -11.320 949 QG ARG 99 QG ARG 99 -3.841 15.525 -11.799 950 QD ARG 99 QD ARG 99 -3.806 15.821 -9.369 951 QH1 ARG 99 QH1 ARG 99 -4.377 18.520 -8.169 952 QH2 ARG 99 QH2 ARG 99 -7.299 18.596 -9.552 953 H ARG 100 H ARG 100 -1.549 11.080 -9.873 954 HA ARG 100 HA ARG 100 -2.640 10.189 -12.385 955 1HB ARG 100 2HB ARG 100 -1.232 8.641 -10.227 956 2HB ARG 100 1HB ARG 100 -1.565 8.088 -11.870 957 1HG ARG 100 2HG ARG 100 -0.146 9.808 -12.776 958 2HG ARG 100 1HG ARG 100 0.104 10.460 -11.152 959 1HD ARG 100 2HD ARG 100 1.194 8.363 -10.493 960 2HD ARG 100 1HD ARG 100 0.939 7.721 -12.117 961 HE ARG 100 HE ARG 100 2.334 10.215 -12.022 962 1HH1 ARG 100 1HH1 ARG 100 2.721 6.685 -12.093 963 2HH1 ARG 100 2HH1 ARG 100 4.339 6.731 -12.540 964 1HH2 ARG 100 1HH2 ARG 100 4.573 10.272 -12.705 965 2HH2 ARG 100 2HH2 ARG 100 5.419 8.818 -12.920 966 QB ARG 100 QB ARG 100 -1.399 8.365 -11.048 967 QG ARG 100 QG ARG 100 -0.021 10.134 -11.964 968 QD ARG 100 QD ARG 100 1.066 8.042 -11.305 969 QH1 ARG 100 QH1 ARG 100 3.530 6.708 -12.317 970 QH2 ARG 100 QH2 ARG 100 4.996 9.545 -12.812 971 H PHE 101 H PHE 101 -3.105 9.302 -8.940 972 HA PHE 101 HA PHE 101 -5.620 8.120 -9.853 973 1HB PHE 101 2HB PHE 101 -3.819 7.285 -7.633 974 2HB PHE 101 1HB PHE 101 -5.536 6.911 -7.524 975 HD1 PHE 101 1HD PHE 101 -6.254 4.915 -8.374 976 HD2 PHE 101 2HD PHE 101 -2.731 6.674 -9.978 977 HE1 PHE 101 1HE PHE 101 -5.958 2.961 -9.832 978 HE2 PHE 101 2HE PHE 101 -2.419 4.715 -11.429 979 HZ PHE 101 HZ PHE 101 -4.033 2.859 -11.358 980 QB PHE 101 QB PHE 101 -4.678 7.098 -7.578 981 QD PHE 101 QD PHE 101 -4.492 5.795 -9.176 982 QE PHE 101 QE PHE 101 -4.189 3.838 -10.630 983 QR PHE 101 QR PHE 101 -4.279 4.425 -10.194 984 H ALA 102 H ALA 102 -4.546 10.578 -8.246 985 HA ALA 102 HA ALA 102 -5.447 12.356 -7.102 986 1HB ALA 102 3HB ALA 102 -6.890 12.430 -9.077 987 2HB ALA 102 1HB ALA 102 -7.698 13.069 -7.648 988 3HB ALA 102 2HB ALA 102 -8.089 11.451 -8.245 989 MB ALA 102 QB ALA 102 -7.559 12.317 -8.323 990 H GLY 103 H GLY 103 -6.541 9.358 -6.144 991 1HA GLY 103 1HA GLY 103 -8.071 9.439 -3.983 992 2HA GLY 103 2HA GLY 103 -6.642 10.298 -3.388 993 QA GLY 103 QA GLY 103 -7.356 9.868 -3.685 994 H TRP 104 H TRP 104 -6.491 8.260 -1.881 995 HA TRP 104 HA TRP 104 -4.959 6.245 -3.296 996 1HB TRP 104 2HB TRP 104 -3.871 7.054 -1.289 997 2HB TRP 104 1HB TRP 104 -5.333 6.856 -0.360 998 HD1 TRP 104 HD TRP 104 -2.248 4.927 -1.462 999 HE1 TRP 104 1HE TRP 104 -2.291 2.661 -0.339 1000 HE3 TRP 104 3HE TRP 104 -6.975 5.051 0.491 1001 HZ2 TRP 104 2HZ TRP 104 -4.134 1.126 1.246 1002 HZ3 TRP 104 3HZ TRP 104 -7.764 3.355 1.696 1003 HH2 TRP 104 HH TRP 104 -6.489 1.387 2.128 1004 QB TRP 104 QB TRP 104 -4.602 6.955 -0.824 1005 H HIS 105 H HIS 105 -5.546 4.096 -3.514 1006 HA HIS 105 HA HIS 105 -8.374 3.588 -2.880 1007 1HB HIS 105 2HB HIS 105 -6.779 3.179 -5.356 1008 2HB HIS 105 1HB HIS 105 -8.336 2.349 -5.119 1009 HD1 HIS 105 1HD HIS 105 -6.749 5.636 -5.955 1010 HD2 HIS 105 2HD HIS 105 -10.563 4.115 -5.313 1011 HE1 HIS 105 1HE HIS 105 -8.331 7.377 -6.837 1012 HE2 HIS 105 2HE HIS 105 -10.590 6.557 -6.087 1013 QB HIS 105 QB HIS 105 -7.557 2.764 -5.237 1014 H MET 106 H MET 106 -8.618 1.756 -1.731 1015 HA MET 106 HA MET 106 -6.532 -0.312 -1.907 1016 1HB MET 106 2HB MET 106 -7.575 0.768 0.298 1017 2HB MET 106 1HB MET 106 -8.840 -0.406 -0.001 1018 1HG MET 106 2HG MET 106 -5.923 -1.020 0.418 1019 2HG MET 106 1HG MET 106 -7.183 -1.197 1.623 1020 1HE MET 106 2HE MET 106 -6.451 -3.649 2.170 1021 2HE MET 106 1HE MET 106 -6.222 -4.906 0.947 1022 3HE MET 106 3HE MET 106 -5.124 -3.533 1.017 1023 QB MET 106 QB MET 106 -8.208 0.181 0.148 1024 QG MET 106 QG MET 106 -6.553 -1.108 1.021 1025 ME MET 106 QE MET 106 -5.932 -4.029 1.378 1026 H GLN 107 H GLN 107 -7.146 -2.329 -2.730 1027 HA GLN 107 HA GLN 107 -9.410 -2.310 -4.427 1028 1HB GLN 107 2HB GLN 107 -8.781 -4.556 -5.069 1029 2HB GLN 107 1HB GLN 107 -7.353 -3.537 -4.991 1030 1HG GLN 107 2HG GLN 107 -6.800 -4.502 -2.805 1031 2HG GLN 107 1HG GLN 107 -8.220 -5.537 -2.911 1032 1HE2 GLN 107 1HE2 GLN 107 -7.095 -7.439 -2.896 1033 2HE2 GLN 107 2HE2 GLN 107 -6.069 -7.935 -4.190 1034 QB GLN 107 QB GLN 107 -8.067 -4.047 -5.030 1035 QG GLN 107 QG GLN 107 -7.510 -5.019 -2.858 1036 QE GLN 107 QE2 GLN 107 -6.582 -7.687 -3.543 1037 H LEU 108 H LEU 108 -8.898 -3.458 -1.194 1038 HA LEU 108 HA LEU 108 -11.292 -5.125 -1.230 1039 1HB LEU 108 2HB LEU 108 -9.138 -5.935 -0.234 1040 2HB LEU 108 1HB LEU 108 -9.257 -4.677 0.968 1041 HG LEU 108 HG LEU 108 -11.357 -5.749 1.799 1042 1HD1 LEU 108 2HD1 LEU 108 -10.610 -7.947 -0.121 1043 2HD1 LEU 108 1HD1 LEU 108 -11.855 -8.046 1.120 1044 3HD1 LEU 108 3HD1 LEU 108 -12.037 -6.911 -0.216 1045 1HD2 LEU 108 1HD2 LEU 108 -8.889 -7.490 1.772 1046 2HD2 LEU 108 3HD2 LEU 108 -9.235 -6.182 2.907 1047 3HD2 LEU 108 2HD2 LEU 108 -10.234 -7.635 2.901 1048 MD1 LEU 108 QD1 LEU 108 -11.500 -7.634 0.261 1049 MD2 LEU 108 QD2 LEU 108 -9.453 -7.102 2.527 1050 QB LEU 108 QB LEU 108 -9.197 -5.306 0.367 1051 QD LEU 108 QQD LEU 108 -10.476 -7.368 1.394 1052 H SER 109 H SER 109 -11.194 -2.061 -1.263 1053 HA SER 109 HA SER 109 -12.263 -1.147 1.199 1054 1HB SER 109 2HB SER 109 -12.986 0.798 -0.297 1055 2HB SER 109 1HB SER 109 -11.253 0.435 -0.292 1056 HG SER 109 HG SER 109 -11.404 0.103 -2.340 1057 QB SER 109 QB SER 109 -12.120 0.616 -0.295 1058 H CYS 110 H CYS 110 -13.550 -2.342 -1.783 1059 HA CYS 110 HA CYS 110 -16.315 -2.139 -0.895 1060 1HB CYS 110 2HB CYS 110 -15.128 -2.903 -3.568 1061 2HB CYS 110 1HB CYS 110 -16.830 -2.601 -3.242 1062 HG CYS 110 HG CYS 110 -14.614 -0.120 -2.596 1063 QB CYS 110 QB CYS 110 -15.979 -2.752 -3.405 1064 H SER 111 H SER 111 -17.449 -4.226 -2.163 1065 HA SER 111 HA SER 111 -16.052 -6.696 -1.486 1066 1HB SER 111 2HB SER 111 -17.472 -5.930 0.472 1067 2HB SER 111 1HB SER 111 -18.879 -6.067 -0.565 1068 HG SER 111 HG SER 111 -18.856 -7.978 0.360 1069 QB SER 111 QB SER 111 -18.176 -5.998 -0.046 1070 H GLU 112 H GLU 112 -19.005 -5.177 -2.625 1071 HA GLU 112 HA GLU 112 -20.370 -5.406 -4.301 1072 1HB GLU 112 2HB GLU 112 -17.904 -5.987 -5.922 1073 2HB GLU 112 1HB GLU 112 -19.397 -5.232 -6.478 1074 1HG GLU 112 2HG GLU 112 -19.026 -3.383 -4.906 1075 2HG GLU 112 1HG GLU 112 -17.497 -4.119 -4.444 1076 QB GLU 112 QB GLU 112 -18.650 -5.609 -6.200 1077 QG GLU 112 QG GLU 112 -18.261 -3.751 -4.675 1078 H ALA 113 H ALA 113 -21.370 -7.202 -3.394 1079 HA ALA 113 HA ALA 113 -20.797 -9.823 -4.330 1080 1HB ALA 113 3HB ALA 113 -23.348 -8.811 -3.046 1081 2HB ALA 113 2HB ALA 113 -22.856 -10.495 -3.219 1082 3HB ALA 113 1HB ALA 113 -21.936 -9.416 -2.176 1083 MB ALA 113 QB ALA 113 -22.713 -9.574 -2.813 1084 H ASP 114 H ASP 114 -22.340 -7.181 -5.601 1085 HA ASP 114 HA ASP 114 -24.141 -8.302 -7.472 1086 1HB ASP 114 2HB ASP 114 -22.440 -5.823 -7.635 1087 2HB ASP 114 1HB ASP 114 -23.713 -6.215 -8.780 1088 QB ASP 114 QB ASP 114 -23.077 -6.019 -8.208 1089 H MET 115 H MET 115 -20.707 -7.639 -7.456 1090 HA MET 115 HA MET 115 -20.451 -8.428 -10.245 1091 1HB MET 115 2HB MET 115 -18.371 -7.373 -8.344 1092 2HB MET 115 1HB MET 115 -18.113 -7.705 -10.046 1093 1HG MET 115 2HG MET 115 -19.794 -6.017 -10.612 1094 2HG MET 115 1HG MET 115 -19.993 -5.667 -8.895 1095 1HE MET 115 1HE MET 115 -19.515 -3.180 -9.139 1096 2HE MET 115 3HE MET 115 -18.153 -2.491 -10.025 1097 3HE MET 115 2HE MET 115 -19.405 -3.382 -10.888 1098 QB MET 115 QB MET 115 -18.242 -7.539 -9.195 1099 QG MET 115 QG MET 115 -19.893 -5.842 -9.753 1100 ME MET 115 QE MET 115 -19.024 -3.018 -10.017 1101 H ARG 116 H ARG 116 -18.793 -9.254 -7.183 1102 HA ARG 116 HA ARG 116 -17.772 -11.152 -6.383 1103 1HB ARG 116 2HB ARG 116 -19.222 -12.584 -8.589 1104 2HB ARG 116 1HB ARG 116 -18.525 -13.339 -7.149 1105 1HG ARG 116 2HG ARG 116 -20.891 -11.446 -7.226 1106 2HG ARG 116 1HG ARG 116 -20.993 -13.197 -7.090 1107 1HD ARG 116 2HD ARG 116 -19.564 -11.454 -5.094 1108 2HD ARG 116 1HD ARG 116 -21.261 -11.880 -4.956 1109 HE ARG 116 HE ARG 116 -19.938 -14.255 -5.254 1110 1HH1 ARG 116 1HH1 ARG 116 -19.929 -11.610 -2.853 1111 2HH1 ARG 116 2HH1 ARG 116 -19.434 -12.594 -1.573 1112 1HH2 ARG 116 1HH2 ARG 116 -19.369 -15.577 -3.455 1113 2HH2 ARG 116 2HH2 ARG 116 -19.038 -14.945 -1.915 1114 QB ARG 116 QB ARG 116 -18.873 -12.962 -7.869 1115 QG ARG 116 QG ARG 116 -20.942 -12.321 -7.158 1116 QD ARG 116 QD ARG 116 -20.412 -11.667 -5.025 1117 QH1 ARG 116 QH1 ARG 116 -19.681 -12.102 -2.213 1118 QH2 ARG 116 QH2 ARG 116 -19.204 -15.261 -2.685 1119 H SER 117 H SER 117 -17.440 -10.296 -9.635 1120 HA SER 117 HA SER 117 -15.282 -12.056 -10.332 1121 1HB SER 117 2HB SER 117 -17.058 -11.376 -11.908 1122 2HB SER 117 1HB SER 117 -16.559 -9.701 -11.752 1123 HG SER 117 HG SER 117 -14.468 -11.251 -12.439 1124 QB SER 117 QB SER 117 -16.809 -10.538 -11.830 1125 H LEU 118 H LEU 118 -15.108 -9.832 -8.173 1126 HA LEU 118 HA LEU 118 -12.993 -8.098 -9.142 1127 1HB LEU 118 2HB LEU 118 -13.844 -8.697 -6.313 1128 2HB LEU 118 1HB LEU 118 -12.802 -7.387 -6.820 1129 HG LEU 118 HG LEU 118 -15.727 -7.682 -7.467 1130 1HD1 LEU 118 2HD1 LEU 118 -14.226 -5.892 -5.576 1131 2HD1 LEU 118 1HD1 LEU 118 -15.920 -5.685 -6.021 1132 3HD1 LEU 118 3HD1 LEU 118 -15.404 -7.136 -5.170 1133 1HD2 LEU 118 3HD2 LEU 118 -13.795 -5.451 -8.122 1134 2HD2 LEU 118 2HD2 LEU 118 -14.520 -6.569 -9.280 1135 3HD2 LEU 118 1HD2 LEU 118 -15.538 -5.431 -8.400 1136 MD1 LEU 118 QD1 LEU 118 -15.184 -6.237 -5.589 1137 MD2 LEU 118 QD2 LEU 118 -14.618 -5.817 -8.601 1138 QB LEU 118 QB LEU 118 -13.323 -8.042 -6.566 1139 QD LEU 118 QQD LEU 118 -14.901 -6.027 -7.095 1140 H GLY 119 H GLY 119 -13.263 -10.707 -6.818 1141 1HA GLY 119 1HA GLY 119 -10.565 -11.108 -6.317 1142 2HA GLY 119 2HA GLY 119 -11.044 -12.158 -7.654 1143 QA GLY 119 QA GLY 119 -10.805 -11.633 -6.986 1144 H LEU 120 H LEU 120 -13.692 -12.602 -6.912 1145 HA LEU 120 HA LEU 120 -13.370 -13.917 -4.329 1146 1HB LEU 120 2HB LEU 120 -15.761 -12.650 -5.592 1147 2HB LEU 120 1HB LEU 120 -15.968 -13.856 -4.357 1148 HG LEU 120 HG LEU 120 -14.576 -12.277 -2.846 1149 1HD1 LEU 120 3HD1 LEU 120 -13.561 -10.909 -4.564 1150 2HD1 LEU 120 2HD1 LEU 120 -15.149 -10.313 -5.050 1151 3HD1 LEU 120 1HD1 LEU 120 -14.508 -9.920 -3.452 1152 1HD2 LEU 120 1HD2 LEU 120 -16.980 -12.486 -2.609 1153 2HD2 LEU 120 3HD2 LEU 120 -16.464 -10.822 -2.345 1154 3HD2 LEU 120 2HD2 LEU 120 -17.221 -11.280 -3.870 1155 MD1 LEU 120 QD1 LEU 120 -14.406 -10.381 -4.355 1156 MD2 LEU 120 QD2 LEU 120 -16.889 -11.529 -2.941 1157 QB LEU 120 QB LEU 120 -15.864 -13.253 -4.975 1158 QD LEU 120 QQD LEU 120 -15.647 -10.955 -3.648 1159 H ALA 121 H ALA 121 -15.576 -14.145 -7.078 1160 HA ALA 121 HA ALA 121 -16.697 -15.810 -7.881 1161 1HB ALA 121 3HB ALA 121 -14.640 -15.880 -9.156 1162 2HB ALA 121 1HB ALA 121 -15.385 -17.481 -9.075 1163 3HB ALA 121 2HB ALA 121 -13.987 -17.100 -8.057 1164 MB ALA 121 QB ALA 121 -14.671 -16.820 -8.763 1165 H GLU 122 H GLU 122 -17.952 -16.354 -6.220 1166 HA GLU 122 HA GLU 122 -17.420 -18.814 -4.806 1167 1HB GLU 122 2HB GLU 122 -16.166 -17.191 -3.536 1168 2HB GLU 122 1HB GLU 122 -17.543 -16.106 -3.498 1169 1HG GLU 122 2HG GLU 122 -18.739 -17.888 -2.189 1170 2HG GLU 122 1HG GLU 122 -17.170 -18.697 -2.059 1171 QB GLU 122 QB GLU 122 -16.855 -16.648 -3.517 1172 QG GLU 122 QG GLU 122 -17.955 -18.293 -2.124 1173 H SER 123 H SER 123 -19.348 -19.780 -4.810 1174 HA SER 123 HA SER 123 -21.734 -18.431 -3.994 1175 1HB SER 123 2HB SER 123 -23.004 -19.182 -6.057 1176 2HB SER 123 1HB SER 123 -21.831 -17.903 -6.373 1177 HG SER 123 HG SER 123 -20.463 -20.040 -6.727 1178 QB SER 123 QB SER 123 -22.418 -18.543 -6.215 1179 H ARG 124 H ARG 124 -22.731 -19.936 -2.604 1180 HA ARG 124 HA ARG 124 -22.720 -22.631 -3.379 1181 1HB ARG 124 2HB ARG 124 -21.614 -23.605 -1.453 1182 2HB ARG 124 1HB ARG 124 -20.516 -22.562 -2.315 1183 1HG ARG 124 2HG ARG 124 -21.905 -21.874 0.285 1184 2HG ARG 124 1HG ARG 124 -20.248 -22.447 0.131 1185 1HD ARG 124 2HD ARG 124 -19.830 -20.423 -1.324 1186 2HD ARG 124 1HD ARG 124 -21.416 -19.853 -0.812 1187 HE ARG 124 HE ARG 124 -19.724 -20.570 1.365 1188 1HH1 ARG 124 1HH1 ARG 124 -20.844 -17.916 -0.658 1189 2HH1 ARG 124 2HH1 ARG 124 -19.931 -16.729 0.136 1190 1HH2 ARG 124 1HH2 ARG 124 -18.470 -18.920 2.509 1191 2HH2 ARG 124 2HH2 ARG 124 -18.557 -17.311 1.989 1192 QB ARG 124 QB ARG 124 -21.065 -23.083 -1.884 1193 QG ARG 124 QG ARG 124 -21.077 -22.160 0.208 1194 QD ARG 124 QD ARG 124 -20.623 -20.138 -1.068 1195 QH1 ARG 124 QH1 ARG 124 -20.387 -17.323 -0.261 1196 QH2 ARG 124 QH2 ARG 124 -18.513 -18.115 2.249 1197 H GLN 125 H GLN 125 -24.258 -23.662 -2.633 1198 HA GLN 125 HA GLN 125 -26.279 -22.289 -1.087 1199 1HB GLN 125 2HB GLN 125 -27.638 -24.432 -1.441 1200 2HB GLN 125 1HB GLN 125 -27.254 -23.477 -2.854 1201 1HG GLN 125 2HG GLN 125 -27.015 -25.790 -3.415 1202 2HG GLN 125 1HG GLN 125 -25.421 -25.060 -3.388 1203 1HE2 GLN 125 1HE2 GLN 125 -27.277 -26.196 -0.569 1204 2HE2 GLN 125 2HE2 GLN 125 -26.144 -27.442 -0.178 1205 QB GLN 125 QB GLN 125 -27.446 -23.954 -2.148 1206 QG GLN 125 QG GLN 125 -26.218 -25.425 -3.402 1207 QE GLN 125 QE2 GLN 125 -26.710 -26.819 -0.374 No H/Q in entry = 1207 Start of MODEL 11 1 H1 LEU 5 2HT LEU 5 -3.274 32.270 -21.666 2 H2 LEU 5 1HT LEU 5 -4.126 31.163 -20.734 3 H3 LEU 5 3HT LEU 5 -4.456 32.835 -20.621 4 HA LEU 5 HA LEU 5 -2.286 33.230 -19.824 5 1HB LEU 5 2HB LEU 5 -3.923 31.217 -18.339 6 2HB LEU 5 1HB LEU 5 -2.322 31.567 -17.736 7 HG LEU 5 HG LEU 5 -2.921 33.923 -17.455 8 1HD1 LEU 5 3HD1 LEU 5 -4.468 34.128 -19.251 9 2HD1 LEU 5 2HD1 LEU 5 -5.649 33.109 -18.414 10 3HD1 LEU 5 1HD1 LEU 5 -5.209 34.689 -17.748 11 1HD2 LEU 5 1HD2 LEU 5 -4.888 32.020 -16.197 12 2HD2 LEU 5 3HD2 LEU 5 -3.274 32.407 -15.600 13 3HD2 LEU 5 2HD2 LEU 5 -4.518 33.651 -15.630 14 MD1 LEU 5 QD1 LEU 5 -5.108 33.976 -18.471 15 MD2 LEU 5 QD2 LEU 5 -4.227 32.693 -15.809 16 QB LEU 5 QB LEU 5 -3.123 31.392 -18.037 17 QD LEU 5 QQD LEU 5 -4.667 33.334 -17.140 18 H GLU 6 H GLU 6 -0.325 32.245 -18.904 19 HA GLU 6 HA GLU 6 0.960 30.686 -20.857 20 1HB GLU 6 2HB GLU 6 1.998 32.476 -19.430 21 2HB GLU 6 1HB GLU 6 1.785 31.332 -18.104 22 1HG GLU 6 2HG GLU 6 4.036 31.552 -19.067 23 2HG GLU 6 1HG GLU 6 3.416 29.892 -18.975 24 QB GLU 6 QB GLU 6 1.891 31.904 -18.767 25 QG GLU 6 QG GLU 6 3.726 30.722 -19.021 26 H ALA 7 H ALA 7 1.950 28.701 -20.603 27 HA ALA 7 HA ALA 7 0.398 26.649 -19.424 28 1HB ALA 7 2HB ALA 7 1.866 26.228 -21.354 29 2HB ALA 7 1HB ALA 7 3.277 26.576 -20.359 30 3HB ALA 7 3HB ALA 7 2.282 25.163 -20.010 31 MB ALA 7 QB ALA 7 2.475 25.989 -20.574 32 H ASP 8 H ASP 8 0.617 25.626 -17.507 33 HA ASP 8 HA ASP 8 1.737 27.195 -15.387 34 1HB ASP 8 2HB ASP 8 -0.453 25.947 -15.357 35 2HB ASP 8 1HB ASP 8 0.469 24.459 -15.273 36 QB ASP 8 QB ASP 8 0.008 25.203 -15.315 37 H VAL 9 H VAL 9 2.049 23.672 -15.866 38 HA VAL 9 HA VAL 9 4.809 23.976 -15.670 39 HB VAL 9 HB VAL 9 4.971 21.942 -14.177 40 1HG1 VAL 9 1HG1 VAL 9 3.612 24.379 -13.022 41 2HG1 VAL 9 3HG1 VAL 9 4.494 23.165 -12.091 42 3HG1 VAL 9 2HG1 VAL 9 5.350 24.174 -13.260 43 1HG2 VAL 9 3HG2 VAL 9 2.760 21.122 -14.610 44 2HG2 VAL 9 2HG2 VAL 9 2.970 21.377 -12.860 45 3HG2 VAL 9 1HG2 VAL 9 2.071 22.551 -13.854 46 MG1 VAL 9 QG1 VAL 9 4.485 23.906 -12.791 47 MG2 VAL 9 QG2 VAL 9 2.601 21.683 -13.774 48 QG VAL 9 QQG VAL 9 3.543 22.795 -13.283 49 H THR 10 H THR 10 2.401 22.969 -17.483 50 HA THR 10 HA THR 10 1.807 21.268 -18.886 51 HB THR 10 HB THR 10 3.441 20.313 -20.267 52 HG1 THR 10 1HG THR 10 5.228 21.268 -18.324 53 1HG2 THR 10 2HG2 THR 10 2.690 22.513 -20.863 54 2HG2 THR 10 1HG2 THR 10 3.936 23.261 -19.868 55 3HG2 THR 10 3HG2 THR 10 4.389 22.364 -21.318 56 MG THR 10 QG2 THR 10 3.672 22.713 -20.683 57 H MET 11 H MET 11 4.369 19.352 -18.375 58 HA MET 11 HA MET 11 2.805 17.815 -16.461 59 1HB MET 11 2HB MET 11 4.613 16.840 -18.654 60 2HB MET 11 1HB MET 11 4.033 15.842 -17.334 61 1HG MET 11 2HG MET 11 1.694 16.376 -18.087 62 2HG MET 11 1HG MET 11 2.393 17.190 -19.479 63 1HE MET 11 1HE MET 11 1.744 13.792 -17.665 64 2HE MET 11 3HE MET 11 2.627 12.646 -18.673 65 3HE MET 11 2HE MET 11 3.509 13.808 -17.689 66 QB MET 11 QB MET 11 4.323 16.341 -17.994 67 QG MET 11 QG MET 11 2.043 16.783 -18.783 68 ME MET 11 QE MET 11 2.627 13.415 -18.009 69 H THR 12 H THR 12 6.133 17.856 -17.701 70 HA THR 12 HA THR 12 8.133 17.658 -16.702 71 HB THR 12 HB THR 12 8.776 19.464 -15.340 72 HG1 THR 12 1HG THR 12 6.065 20.419 -15.583 73 1HG2 THR 12 1HG2 THR 12 8.777 19.760 -17.714 74 2HG2 THR 12 3HG2 THR 12 7.088 20.265 -17.705 75 3HG2 THR 12 2HG2 THR 12 8.322 21.290 -16.963 76 MG THR 12 QG2 THR 12 8.063 20.438 -17.461 77 H GLY 13 H GLY 13 6.961 18.847 -13.709 78 1HA GLY 13 1HA GLY 13 8.379 16.974 -12.211 79 2HA GLY 13 2HA GLY 13 6.677 16.505 -12.277 80 QA GLY 13 QA GLY 13 7.528 16.740 -12.244 81 H SER 14 H SER 14 6.812 17.023 -9.857 82 HA SER 14 HA SER 14 7.027 19.790 -9.284 83 1HB SER 14 2HB SER 14 4.567 18.097 -8.739 84 2HB SER 14 1HB SER 14 4.829 19.735 -8.141 85 HG SER 14 HG SER 14 5.178 19.667 -10.791 86 QB SER 14 QB SER 14 4.698 18.916 -8.440 87 H ASP 15 H ASP 15 5.879 19.186 -6.660 88 HA ASP 15 HA ASP 15 8.142 17.833 -5.625 89 1HB ASP 15 2HB ASP 15 7.418 18.845 -3.544 90 2HB ASP 15 1HB ASP 15 7.858 20.070 -4.682 91 QB ASP 15 QB ASP 15 7.638 19.458 -4.113 92 H LEU 16 H LEU 16 6.420 16.364 -6.786 93 HA LEU 16 HA LEU 16 5.429 14.737 -4.605 94 1HB LEU 16 2HB LEU 16 4.367 14.869 -7.401 95 2HB LEU 16 1HB LEU 16 3.799 13.815 -6.121 96 HG LEU 16 HG LEU 16 2.203 15.353 -6.300 97 1HD1 LEU 16 1HD1 LEU 16 2.666 15.164 -4.015 98 2HD1 LEU 16 3HD1 LEU 16 3.866 16.454 -4.098 99 3HD1 LEU 16 2HD1 LEU 16 2.163 16.818 -4.359 100 1HD2 LEU 16 2HD2 LEU 16 4.208 17.527 -6.655 101 2HD2 LEU 16 1HD2 LEU 16 3.070 16.825 -7.824 102 3HD2 LEU 16 3HD2 LEU 16 2.462 17.798 -6.483 103 MD1 LEU 16 QD1 LEU 16 2.899 16.145 -4.157 104 MD2 LEU 16 QD2 LEU 16 3.246 17.383 -6.987 105 QB LEU 16 QB LEU 16 4.083 14.342 -6.761 106 QD LEU 16 QQD LEU 16 3.072 16.764 -5.572 107 H VAL 17 H VAL 17 5.494 12.606 -4.929 108 HA VAL 17 HA VAL 17 7.452 11.700 -6.635 109 HB VAL 17 HB VAL 17 7.795 11.898 -3.668 110 1HG1 VAL 17 3HG1 VAL 17 8.862 9.885 -5.459 111 2HG1 VAL 17 2HG1 VAL 17 9.729 10.286 -3.926 112 3HG1 VAL 17 1HG1 VAL 17 8.032 9.665 -3.907 113 1HG2 VAL 17 1HG2 VAL 17 8.937 13.536 -5.153 114 2HG2 VAL 17 3HG2 VAL 17 10.043 12.604 -4.152 115 3HG2 VAL 17 2HG2 VAL 17 9.867 12.198 -5.844 116 MG1 VAL 17 QG1 VAL 17 8.874 9.945 -4.431 117 MG2 VAL 17 QG2 VAL 17 9.616 12.779 -5.049 118 QG VAL 17 QQG VAL 17 9.245 11.362 -4.740 119 H SER 18 H SER 18 7.232 9.407 -6.691 120 HA SER 18 HA SER 18 4.967 8.198 -5.259 121 1HB SER 18 2HB SER 18 5.958 7.604 -8.050 122 2HB SER 18 1HB SER 18 4.814 6.584 -7.182 123 HG SER 18 HG SER 18 3.688 8.742 -6.947 124 QB SER 18 QB SER 18 5.386 7.094 -7.616 125 H CYS 19 H CYS 19 5.635 6.752 -3.848 126 HA CYS 19 HA CYS 19 8.106 5.345 -4.442 127 1HB CYS 19 2HB CYS 19 8.178 4.778 -2.027 128 2HB CYS 19 1HB CYS 19 7.893 6.484 -2.221 129 HG CYS 19 HG CYS 19 6.550 5.104 -0.109 130 QB CYS 19 QB CYS 19 8.036 5.631 -2.124 131 H CYS 20 H CYS 20 7.876 3.395 -5.305 132 HA CYS 20 HA CYS 20 5.161 2.263 -5.331 133 1HB CYS 20 2HB CYS 20 7.426 1.821 -7.294 134 2HB CYS 20 1HB CYS 20 5.751 1.323 -7.469 135 HG CYS 20 HG CYS 20 7.083 3.949 -8.720 136 QB CYS 20 QB CYS 20 6.589 1.572 -7.382 137 H TYR 21 H TYR 21 5.201 0.600 -3.786 138 HA TYR 21 HA TYR 21 7.815 -0.652 -3.552 139 1HB TYR 21 2HB TYR 21 7.609 -0.911 -1.279 140 2HB TYR 21 1HB TYR 21 7.236 0.751 -1.649 141 HD1 TYR 21 1HD TYR 21 5.794 -2.464 -0.435 142 HD2 TYR 21 2HD TYR 21 5.238 1.727 -0.926 143 HE1 TYR 21 1HE TYR 21 3.884 -2.555 1.093 144 HE2 TYR 21 2HE TYR 21 3.360 1.630 0.621 145 HH TYR 21 HH TYR 21 1.782 0.068 1.524 146 QB TYR 21 QB TYR 21 7.423 -0.080 -1.464 147 QD TYR 21 QD TYR 21 5.516 -0.369 -0.680 148 QE TYR 21 QE TYR 21 3.622 -0.462 0.857 149 QR TYR 21 QR TYR 21 4.569 -0.416 0.088 150 H ARG 22 H ARG 22 8.093 -2.671 -3.372 151 HA ARG 22 HA ARG 22 5.864 -4.454 -3.903 152 1HB ARG 22 2HB ARG 22 7.446 -4.982 -5.513 153 2HB ARG 22 1HB ARG 22 8.781 -4.432 -4.523 154 1HG ARG 22 2HG ARG 22 7.386 -6.978 -3.790 155 2HG ARG 22 1HG ARG 22 8.519 -6.977 -5.140 156 1HD ARG 22 2HD ARG 22 10.305 -6.208 -3.714 157 2HD ARG 22 1HD ARG 22 9.185 -5.930 -2.388 158 HE ARG 22 HE ARG 22 8.839 -8.388 -2.415 159 1HH1 ARG 22 1HH1 ARG 22 11.909 -7.045 -3.626 160 2HH1 ARG 22 2HH1 ARG 22 12.833 -8.389 -3.161 161 1HH2 ARG 22 1HH2 ARG 22 10.174 -10.295 -1.857 162 2HH2 ARG 22 2HH2 ARG 22 11.826 -10.235 -2.185 163 QB ARG 22 QB ARG 22 8.114 -4.707 -5.018 164 QG ARG 22 QG ARG 22 7.952 -6.978 -4.465 165 QD ARG 22 QD ARG 22 9.745 -6.069 -3.051 166 QH1 ARG 22 QH1 ARG 22 12.371 -7.717 -3.394 167 QH2 ARG 22 QH2 ARG 22 11.000 -10.265 -2.021 168 H SER 23 H SER 23 5.332 -6.033 -2.421 169 HA SER 23 HA SER 23 7.135 -6.527 -0.210 170 1HB SER 23 2HB SER 23 4.341 -5.467 0.233 171 2HB SER 23 1HB SER 23 5.421 -6.080 1.484 172 HG SER 23 HG SER 23 6.498 -4.198 -0.136 173 QB SER 23 QB SER 23 4.881 -5.773 0.858 174 H LEU 24 H LEU 24 5.953 -8.061 1.283 175 HA LEU 24 HA LEU 24 4.163 -9.837 -0.201 176 1HB LEU 24 2HB LEU 24 6.131 -10.493 2.031 177 2HB LEU 24 1HB LEU 24 4.976 -11.621 1.373 178 HG LEU 24 HG LEU 24 7.082 -12.222 0.524 179 1HD1 LEU 24 1HD1 LEU 24 5.626 -10.749 -1.623 180 2HD1 LEU 24 3HD1 LEU 24 6.872 -11.969 -1.879 181 3HD1 LEU 24 2HD1 LEU 24 5.365 -12.414 -1.082 182 1HD2 LEU 24 3HD2 LEU 24 7.505 -9.367 -0.374 183 2HD2 LEU 24 2HD2 LEU 24 8.351 -10.176 0.941 184 3HD2 LEU 24 1HD2 LEU 24 8.583 -10.719 -0.722 185 MD1 LEU 24 QD1 LEU 24 5.955 -11.711 -1.528 186 MD2 LEU 24 QD2 LEU 24 8.146 -10.087 -0.052 187 QB LEU 24 QB LEU 24 5.553 -11.057 1.702 188 QD LEU 24 QQD LEU 24 7.050 -10.899 -0.790 189 H ALA 25 H ALA 25 2.423 -10.613 1.226 190 HA ALA 25 HA ALA 25 1.998 -8.817 3.505 191 1HB ALA 25 1HB ALA 25 0.191 -10.804 2.103 192 2HB ALA 25 2HB ALA 25 0.149 -9.046 1.923 193 3HB ALA 25 3HB ALA 25 -0.287 -9.784 3.464 194 MB ALA 25 QB ALA 25 0.017 -9.878 2.497 195 H ALA 26 H ALA 26 2.127 -9.764 5.755 196 HA ALA 26 HA ALA 26 3.474 -12.129 5.758 197 1HB ALA 26 3HB ALA 26 3.763 -10.546 7.425 198 2HB ALA 26 2HB ALA 26 2.058 -10.531 7.853 199 3HB ALA 26 1HB ALA 26 3.066 -11.972 8.210 200 MB ALA 26 QB ALA 26 2.962 -11.016 7.829 201 HA PRO 27 HA PRO 27 0.100 -14.927 5.026 202 1HB PRO 27 2HB PRO 27 1.341 -17.135 6.038 203 2HB PRO 27 1HB PRO 27 1.683 -16.441 4.439 204 1HG PRO 27 2HG PRO 27 3.019 -15.735 7.048 205 2HG PRO 27 1HG PRO 27 3.840 -16.410 5.579 206 1HD PRO 27 2HD PRO 27 3.899 -13.942 6.103 207 2HD PRO 27 1HD PRO 27 3.296 -14.366 4.478 208 QB PRO 27 QB PRO 27 1.512 -16.788 5.239 209 QG PRO 27 QG PRO 27 3.430 -16.072 6.313 210 QD PRO 27 QD PRO 27 3.597 -14.154 5.290 211 H ASP 28 H ASP 28 1.044 -13.941 7.928 212 HA ASP 28 HA ASP 28 -0.895 -15.681 9.310 213 1HB ASP 28 2HB ASP 28 1.419 -15.931 10.196 214 2HB ASP 28 1HB ASP 28 1.415 -14.226 10.631 215 QB ASP 28 QB ASP 28 1.417 -15.079 10.414 216 H LEU 29 H LEU 29 -0.894 -12.994 7.869 217 HA LEU 29 HA LEU 29 -1.727 -11.029 9.628 218 1HB LEU 29 2HB LEU 29 -1.973 -11.429 6.725 219 2HB LEU 29 1HB LEU 29 -2.982 -10.213 7.483 220 HG LEU 29 HG LEU 29 -0.011 -10.282 7.861 221 1HD1 LEU 29 2HD1 LEU 29 -0.643 -10.090 5.498 222 2HD1 LEU 29 1HD1 LEU 29 -1.610 -8.657 5.899 223 3HD1 LEU 29 3HD1 LEU 29 0.170 -8.659 6.093 224 1HD2 LEU 29 1HD2 LEU 29 -2.125 -8.165 8.247 225 2HD2 LEU 29 3HD2 LEU 29 -1.301 -9.054 9.532 226 3HD2 LEU 29 2HD2 LEU 29 -0.393 -7.963 8.495 227 MD1 LEU 29 QD1 LEU 29 -0.694 -9.135 5.830 228 MD2 LEU 29 QD2 LEU 29 -1.273 -8.394 8.758 229 QB LEU 29 QB LEU 29 -2.477 -10.821 7.104 230 QD LEU 29 QQD LEU 29 -0.984 -8.765 7.294 231 H THR 30 H THR 30 -3.629 -10.066 9.872 232 HA THR 30 HA THR 30 -5.926 -11.846 9.999 233 HB THR 30 HB THR 30 -6.230 -9.879 11.681 234 HG1 THR 30 1HG THR 30 -4.240 -9.259 12.330 235 1HG2 THR 30 3HG2 THR 30 -5.236 -12.640 11.992 236 2HG2 THR 30 2HG2 THR 30 -5.794 -11.660 13.383 237 3HG2 THR 30 1HG2 THR 30 -6.897 -12.026 12.023 238 MG THR 30 QG2 THR 30 -5.976 -12.109 12.466 239 H LEU 31 H LEU 31 -7.830 -11.036 9.516 240 HA LEU 31 HA LEU 31 -8.251 -9.121 7.547 241 1HB LEU 31 2HB LEU 31 -9.816 -10.897 8.444 242 2HB LEU 31 1HB LEU 31 -9.959 -9.749 9.786 243 HG LEU 31 HG LEU 31 -11.021 -8.103 8.367 244 1HD1 LEU 31 1HD1 LEU 31 -9.911 -8.619 6.273 245 2HD1 LEU 31 3HD1 LEU 31 -10.832 -10.126 6.138 246 3HD1 LEU 31 2HD1 LEU 31 -11.654 -8.556 6.095 247 1HD2 LEU 31 2HD2 LEU 31 -12.456 -9.718 9.488 248 2HD2 LEU 31 1HD2 LEU 31 -13.141 -9.244 7.934 249 3HD2 LEU 31 3HD2 LEU 31 -12.329 -10.802 8.106 250 MD1 LEU 31 QD1 LEU 31 -10.799 -9.100 6.169 251 MD2 LEU 31 QD2 LEU 31 -12.642 -9.921 8.509 252 QB LEU 31 QB LEU 31 -9.887 -10.323 9.115 253 QD LEU 31 QQD LEU 31 -11.721 -9.511 7.339 254 H ARG 32 H ARG 32 -8.456 -8.723 11.096 255 HA ARG 32 HA ARG 32 -9.404 -6.050 10.810 256 1HB ARG 32 2HB ARG 32 -9.721 -7.308 12.930 257 2HB ARG 32 1HB ARG 32 -7.989 -7.202 13.224 258 1HG ARG 32 2HG ARG 32 -9.025 -5.488 14.523 259 2HG ARG 32 1HG ARG 32 -8.208 -4.735 13.149 260 1HD ARG 32 2HD ARG 32 -10.361 -4.624 11.943 261 2HD ARG 32 1HD ARG 32 -11.164 -5.290 13.365 262 HE ARG 32 HE ARG 32 -10.086 -2.641 13.000 263 1HH1 ARG 32 1HH1 ARG 32 -11.453 -4.998 15.290 264 2HH1 ARG 32 2HH1 ARG 32 -11.831 -3.857 16.480 265 1HH2 ARG 32 1HH2 ARG 32 -10.636 -1.037 14.671 266 2HH2 ARG 32 2HH2 ARG 32 -11.365 -1.552 16.112 267 QB ARG 32 QB ARG 32 -8.855 -7.255 13.077 268 QG ARG 32 QG ARG 32 -8.617 -5.112 13.836 269 QD ARG 32 QD ARG 32 -10.763 -4.957 12.654 270 QH1 ARG 32 QH1 ARG 32 -11.642 -4.428 15.885 271 QH2 ARG 32 QH2 ARG 32 -11.000 -1.294 15.391 272 H ASP 33 H ASP 33 -6.348 -7.460 10.590 273 HA ASP 33 HA ASP 33 -4.902 -5.047 11.025 274 1HB ASP 33 2HB ASP 33 -4.094 -7.758 9.992 275 2HB ASP 33 1HB ASP 33 -2.970 -6.413 10.019 276 QB ASP 33 QB ASP 33 -3.532 -7.086 10.005 277 H LEU 34 H LEU 34 -6.253 -6.800 8.229 278 HA LEU 34 HA LEU 34 -4.979 -4.987 6.316 279 1HB LEU 34 2HB LEU 34 -7.447 -6.716 5.964 280 2HB LEU 34 1HB LEU 34 -6.822 -5.677 4.713 281 HG LEU 34 HG LEU 34 -6.227 -7.918 4.221 282 1HD1 LEU 34 3HD1 LEU 34 -4.539 -6.268 3.672 283 2HD1 LEU 34 2HD1 LEU 34 -3.791 -6.494 5.253 284 3HD1 LEU 34 1HD1 LEU 34 -3.808 -7.815 4.092 285 1HD2 LEU 34 2HD2 LEU 34 -6.471 -8.687 6.519 286 2HD2 LEU 34 1HD2 LEU 34 -5.002 -9.348 5.717 287 3HD2 LEU 34 3HD2 LEU 34 -4.884 -8.003 6.867 288 MD1 LEU 34 QD1 LEU 34 -4.046 -6.859 4.339 289 MD2 LEU 34 QD2 LEU 34 -5.453 -8.679 6.368 290 QB LEU 34 QB LEU 34 -7.135 -6.197 5.339 291 QD LEU 34 QQD LEU 34 -4.749 -7.769 5.353 292 H LEU 35 H LEU 35 -7.888 -5.197 8.034 293 HA LEU 35 HA LEU 35 -9.123 -2.952 6.835 294 1HB LEU 35 2HB LEU 35 -9.729 -4.606 9.261 295 2HB LEU 35 1HB LEU 35 -10.647 -3.153 8.932 296 HG LEU 35 HG LEU 35 -11.665 -5.377 8.163 297 1HD1 LEU 35 1HD1 LEU 35 -11.250 -3.181 6.123 298 2HD1 LEU 35 3HD1 LEU 35 -12.542 -4.381 6.087 299 3HD1 LEU 35 2HD1 LEU 35 -12.476 -3.194 7.393 300 1HD2 LEU 35 2HD2 LEU 35 -9.526 -6.242 7.169 301 2HD2 LEU 35 1HD2 LEU 35 -10.890 -6.287 6.007 302 3HD2 LEU 35 3HD2 LEU 35 -9.655 -5.024 5.958 303 MD1 LEU 35 QD1 LEU 35 -12.089 -3.585 6.535 304 MD2 LEU 35 QD2 LEU 35 -10.024 -5.851 6.378 305 QB LEU 35 QB LEU 35 -10.188 -3.879 9.096 306 QD LEU 35 QQD LEU 35 -11.057 -4.718 6.456 307 H ASP 36 H ASP 36 -7.001 -3.367 9.444 308 HA ASP 36 HA ASP 36 -7.233 -0.610 10.352 309 1HB ASP 36 2HB ASP 36 -6.182 -2.296 11.872 310 2HB ASP 36 1HB ASP 36 -4.824 -2.419 10.756 311 QB ASP 36 QB ASP 36 -5.503 -2.357 11.314 312 H ILE 37 H ILE 37 -4.947 -2.389 8.370 313 HA ILE 37 HA ILE 37 -3.207 -0.485 7.506 314 HB ILE 37 HB ILE 37 -4.433 -2.836 6.063 315 1HG1 ILE 37 2HG1 ILE 37 -1.567 -2.432 6.815 316 2HG1 ILE 37 1HG1 ILE 37 -2.692 -3.026 8.011 317 1HG2 ILE 37 3HG2 ILE 37 -3.887 -1.246 4.311 318 2HG2 ILE 37 2HG2 ILE 37 -2.256 -1.064 4.962 319 3HG2 ILE 37 1HG2 ILE 37 -2.770 -2.610 4.281 320 1HD1 ILE 37 1HD1 ILE 37 -2.135 -4.331 5.340 321 2HD1 ILE 37 3HD1 ILE 37 -1.385 -4.790 6.861 322 3HD1 ILE 37 2HD1 ILE 37 -3.114 -5.014 6.655 323 MG ILE 37 QG2 ILE 37 -2.971 -1.640 4.518 324 MD ILE 37 QD1 ILE 37 -2.211 -4.712 6.285 325 QG ILE 37 QG1 ILE 37 -2.129 -2.729 7.413 326 H VAL 38 H VAL 38 -6.230 -1.323 5.864 327 HA VAL 38 HA VAL 38 -6.098 0.724 3.978 328 HB VAL 38 HB VAL 38 -7.628 -1.169 3.620 329 1HG1 VAL 38 2HG1 VAL 38 -8.253 -1.569 5.833 330 2HG1 VAL 38 1HG1 VAL 38 -9.300 -0.143 5.861 331 3HG1 VAL 38 3HG1 VAL 38 -9.659 -1.501 4.771 332 1HG2 VAL 38 1HG2 VAL 38 -9.141 1.424 3.776 333 2HG2 VAL 38 3HG2 VAL 38 -8.220 0.842 2.389 334 3HG2 VAL 38 2HG2 VAL 38 -9.668 -0.011 2.899 335 MG1 VAL 38 QG1 VAL 38 -9.071 -1.071 5.488 336 MG2 VAL 38 QG2 VAL 38 -9.010 0.752 3.021 337 QG VAL 38 QQG VAL 38 -9.040 -0.160 4.255 338 H GLU 39 H GLU 39 -7.720 0.774 7.125 339 HA GLU 39 HA GLU 39 -8.868 3.314 6.940 340 1HB GLU 39 2HB GLU 39 -7.982 1.642 9.261 341 2HB GLU 39 1HB GLU 39 -8.718 3.221 9.477 342 1HG GLU 39 2HG GLU 39 -10.000 0.938 8.004 343 2HG GLU 39 1HG GLU 39 -10.294 1.331 9.698 344 QB GLU 39 QB GLU 39 -8.350 2.431 9.369 345 QG GLU 39 QG GLU 39 -10.147 1.135 8.851 346 H THR 40 H THR 40 -5.889 2.378 8.650 347 HA THR 40 HA THR 40 -5.136 4.956 9.369 348 HB THR 40 HB THR 40 -3.345 2.551 8.953 349 HG1 THR 40 1HG THR 40 -4.188 1.744 10.761 350 1HG2 THR 40 3HG2 THR 40 -3.113 4.957 10.783 351 2HG2 THR 40 2HG2 THR 40 -1.987 3.600 10.727 352 3HG2 THR 40 1HG2 THR 40 -2.150 4.666 9.336 353 MG THR 40 QG2 THR 40 -2.416 4.407 10.282 354 H SER 41 H SER 41 -4.488 3.064 6.462 355 HA SER 41 HA SER 41 -2.439 4.613 5.352 356 1HB SER 41 2HB SER 41 -3.238 2.324 4.613 357 2HB SER 41 1HB SER 41 -4.606 3.123 3.850 358 HG SER 41 HG SER 41 -2.797 4.393 2.738 359 QB SER 41 QB SER 41 -3.922 2.723 4.231 360 H GLN 42 H GLN 42 -5.965 4.716 4.796 361 HA GLN 42 HA GLN 42 -6.048 6.944 3.065 362 1HB GLN 42 2HB GLN 42 -8.046 5.903 5.024 363 2HB GLN 42 1HB GLN 42 -8.392 7.144 3.834 364 1HG GLN 42 2HG GLN 42 -8.183 5.695 2.060 365 2HG GLN 42 1HG GLN 42 -7.272 4.528 3.015 366 1HE2 GLN 42 1HE2 GLN 42 -9.160 4.703 5.288 367 2HE2 GLN 42 2HE2 GLN 42 -10.489 3.776 4.685 368 QB GLN 42 QB GLN 42 -8.219 6.523 4.429 369 QG GLN 42 QG GLN 42 -7.728 5.111 2.537 370 QE GLN 42 QE2 GLN 42 -9.824 4.240 4.987 371 H ALA 43 H ALA 43 -6.431 6.649 6.529 372 HA ALA 43 HA ALA 43 -7.164 9.291 7.002 373 1HB ALA 43 2HB ALA 43 -6.971 8.735 9.319 374 2HB ALA 43 3HB ALA 43 -5.882 7.381 8.945 375 3HB ALA 43 1HB ALA 43 -7.561 7.328 8.410 376 MB ALA 43 QB ALA 43 -6.805 7.815 8.892 377 H HIS 44 H HIS 44 -4.001 7.886 6.696 378 HA HIS 44 HA HIS 44 -2.784 10.411 7.557 379 1HB HIS 44 2HB HIS 44 -1.745 8.096 8.085 380 2HB HIS 44 1HB HIS 44 -1.414 8.049 6.350 381 HD1 HIS 44 1HD HIS 44 0.733 8.087 8.773 382 HD2 HIS 44 2HD HIS 44 -0.161 11.183 6.158 383 HE1 HIS 44 1HE HIS 44 2.763 9.573 8.709 384 HE2 HIS 44 2HE HIS 44 2.172 11.471 7.319 385 QB HIS 44 QB HIS 44 -1.579 8.073 7.218 386 H ASN 45 H ASN 45 -3.202 8.452 4.629 387 HA ASN 45 HA ASN 45 -1.641 10.124 3.032 388 1HB ASN 45 2HB ASN 45 -3.701 8.054 2.343 389 2HB ASN 45 1HB ASN 45 -2.927 9.024 1.089 390 1HD2 ASN 45 1HD2 ASN 45 -1.977 7.099 0.253 391 2HD2 ASN 45 2HD2 ASN 45 -0.628 6.374 1.053 392 QB ASN 45 QB ASN 45 -3.314 8.539 1.716 393 QD ASN 45 QD2 ASN 45 -1.303 6.737 0.653 394 H ALA 46 H ALA 46 -5.110 10.152 3.630 395 HA ALA 46 HA ALA 46 -5.708 12.192 1.793 396 1HB ALA 46 3HB ALA 46 -7.726 12.535 3.150 397 2HB ALA 46 1HB ALA 46 -6.998 11.570 4.433 398 3HB ALA 46 2HB ALA 46 -7.423 10.808 2.891 399 MB ALA 46 QB ALA 46 -7.383 11.638 3.491 400 H ARG 47 H ARG 47 -4.707 12.203 5.165 401 HA ARG 47 HA ARG 47 -4.902 14.968 5.616 402 1HB ARG 47 2HB ARG 47 -4.643 13.126 7.330 403 2HB ARG 47 1HB ARG 47 -2.951 13.090 6.804 404 1HG ARG 47 2HG ARG 47 -2.529 15.277 7.557 405 2HG ARG 47 1HG ARG 47 -4.233 15.552 7.934 406 1HD ARG 47 2HD ARG 47 -3.055 15.118 9.973 407 2HD ARG 47 1HD ARG 47 -4.094 13.746 9.602 408 HE ARG 47 HE ARG 47 -1.197 13.760 9.059 409 1HH1 ARG 47 1HH1 ARG 47 -4.094 12.033 10.124 410 2HH1 ARG 47 2HH1 ARG 47 -3.253 10.751 10.849 411 1HH2 ARG 47 1HH2 ARG 47 -0.031 11.941 9.997 412 2HH2 ARG 47 2HH2 ARG 47 -0.893 10.682 10.760 413 QB ARG 47 QB ARG 47 -3.797 13.108 7.067 414 QG ARG 47 QG ARG 47 -3.381 15.414 7.745 415 QD ARG 47 QD ARG 47 -3.575 14.432 9.787 416 QH1 ARG 47 QH1 ARG 47 -3.674 11.392 10.486 417 QH2 ARG 47 QH2 ARG 47 -0.462 11.311 10.379 418 H ALA 48 H ALA 48 -2.154 12.909 4.727 419 HA ALA 48 HA ALA 48 -0.497 15.170 4.600 420 1HB ALA 48 2HB ALA 48 0.459 13.066 5.343 421 2HB ALA 48 3HB ALA 48 1.303 13.688 3.930 422 3HB ALA 48 1HB ALA 48 0.172 12.344 3.756 423 MB ALA 48 QB ALA 48 0.644 13.033 4.343 424 H GLN 49 H GLN 49 -2.765 14.069 2.502 425 HA GLN 49 HA GLN 49 -3.496 14.847 0.507 426 1HB GLN 49 2HB GLN 49 -0.937 16.426 0.542 427 2HB GLN 49 1HB GLN 49 -2.235 16.685 -0.658 428 1HG GLN 49 2HG GLN 49 -3.480 17.763 0.901 429 2HG GLN 49 1HG GLN 49 -2.902 16.567 2.095 430 1HE2 GLN 49 1HE2 GLN 49 -1.316 17.011 3.398 431 2HE2 GLN 49 2HE2 GLN 49 -0.373 18.442 3.449 432 QB GLN 49 QB GLN 49 -1.586 16.555 -0.058 433 QG GLN 49 QG GLN 49 -3.191 17.165 1.498 434 QE GLN 49 QE2 GLN 49 -0.845 17.726 3.423 435 H LEU 50 H LEU 50 -1.857 12.617 0.937 436 HA LEU 50 HA LEU 50 -0.444 12.013 -1.505 437 1HB LEU 50 2HB LEU 50 -0.893 10.732 1.118 438 2HB LEU 50 1HB LEU 50 -0.472 9.706 -0.235 439 HG LEU 50 HG LEU 50 1.575 10.804 -0.523 440 1HD1 LEU 50 1HD1 LEU 50 0.981 13.091 0.009 441 2HD1 LEU 50 3HD1 LEU 50 0.812 12.671 1.712 442 3HD1 LEU 50 2HD1 LEU 50 2.395 12.592 0.937 443 1HD2 LEU 50 1HD2 LEU 50 1.505 9.070 1.132 444 2HD2 LEU 50 3HD2 LEU 50 2.699 10.293 1.559 445 3HD2 LEU 50 2HD2 LEU 50 1.137 10.265 2.380 446 MD1 LEU 50 QD1 LEU 50 1.396 12.785 0.886 447 MD2 LEU 50 QD2 LEU 50 1.780 9.876 1.690 448 QB LEU 50 QB LEU 50 -0.683 10.219 0.442 449 QD LEU 50 QQD LEU 50 1.588 11.330 1.288 450 H THR 51 H THR 51 -1.103 10.623 -3.071 451 HA THR 51 HA THR 51 -3.794 9.528 -2.886 452 HB THR 51 HB THR 51 -4.017 10.082 -5.316 453 HG1 THR 51 1HG THR 51 -2.040 10.347 -6.183 454 1HG2 THR 51 3HG2 THR 51 -4.720 11.541 -3.509 455 2HG2 THR 51 2HG2 THR 51 -3.138 12.358 -3.600 456 3HG2 THR 51 1HG2 THR 51 -4.265 12.466 -4.966 457 MG THR 51 QG2 THR 51 -4.041 12.122 -4.025 458 H GLY 52 H GLY 52 -4.061 7.479 -4.251 459 1HA GLY 52 1HA GLY 52 -2.285 5.758 -3.037 460 2HA GLY 52 2HA GLY 52 -1.681 5.991 -4.667 461 QA GLY 52 QA GLY 52 -1.983 5.874 -3.852 462 H ALA 53 H ALA 53 -1.997 3.668 -4.313 463 HA ALA 53 HA ALA 53 -4.588 2.598 -4.259 464 1HB ALA 53 3HB ALA 53 -4.691 3.221 -6.618 465 2HB ALA 53 1HB ALA 53 -4.610 1.466 -6.470 466 3HB ALA 53 2HB ALA 53 -3.173 2.392 -6.930 467 MB ALA 53 QB ALA 53 -4.158 2.360 -6.673 468 H LEU 54 H LEU 54 -4.574 0.260 -4.226 469 HA LEU 54 HA LEU 54 -1.942 -0.815 -3.520 470 1HB LEU 54 2HB LEU 54 -3.099 -0.133 -1.454 471 2HB LEU 54 1HB LEU 54 -4.539 -0.953 -1.954 472 HG LEU 54 HG LEU 54 -3.402 -2.048 -0.073 473 1HD1 LEU 54 2HD1 LEU 54 -4.781 -3.461 -1.418 474 2HD1 LEU 54 1HD1 LEU 54 -3.433 -3.791 -2.506 475 3HD1 LEU 54 3HD1 LEU 54 -3.376 -4.349 -0.833 476 1HD2 LEU 54 1HD2 LEU 54 -1.142 -2.467 -2.000 477 2HD2 LEU 54 3HD2 LEU 54 -1.150 -1.558 -0.478 478 3HD2 LEU 54 2HD2 LEU 54 -1.329 -3.313 -0.464 479 MD1 LEU 54 QD1 LEU 54 -3.863 -3.867 -1.585 480 MD2 LEU 54 QD2 LEU 54 -1.207 -2.446 -0.981 481 QB LEU 54 QB LEU 54 -3.819 -0.543 -1.704 482 QD LEU 54 QQD LEU 54 -2.535 -3.156 -1.283 483 H PHE 55 H PHE 55 -1.566 -2.725 -4.406 484 HA PHE 55 HA PHE 55 -3.833 -4.270 -5.346 485 1HB PHE 55 2HB PHE 55 -1.137 -3.902 -6.676 486 2HB PHE 55 1HB PHE 55 -2.376 -5.037 -7.211 487 HD1 PHE 55 1HD PHE 55 -4.602 -4.121 -7.953 488 HD2 PHE 55 2HD PHE 55 -1.197 -1.655 -7.366 489 HE1 PHE 55 1HE PHE 55 -5.632 -2.382 -9.350 490 HE2 PHE 55 2HE PHE 55 -2.227 0.087 -8.795 491 HZ PHE 55 HZ PHE 55 -4.446 -0.282 -9.767 492 QB PHE 55 QB PHE 55 -1.756 -4.470 -6.943 493 QD PHE 55 QD PHE 55 -2.899 -2.888 -7.659 494 QE PHE 55 QE PHE 55 -3.930 -1.148 -9.073 495 QR PHE 55 QR PHE 55 -3.621 -1.670 -8.646 496 H TYR 56 H TYR 56 -3.947 -6.103 -4.401 497 HA TYR 56 HA TYR 56 -1.594 -7.216 -3.065 498 1HB TYR 56 2HB TYR 56 -3.327 -6.489 -1.507 499 2HB TYR 56 1HB TYR 56 -4.578 -7.342 -2.344 500 HD1 TYR 56 1HD TYR 56 -3.677 -10.102 -2.507 501 HD2 TYR 56 2HD TYR 56 -2.947 -7.262 0.574 502 HE1 TYR 56 1HE TYR 56 -3.394 -11.938 -0.902 503 HE2 TYR 56 2HE TYR 56 -2.637 -9.104 2.194 504 HH TYR 56 HH TYR 56 -3.299 -11.479 2.468 505 QB TYR 56 QB TYR 56 -3.953 -6.916 -1.925 506 QD TYR 56 QD TYR 56 -3.312 -8.682 -0.967 507 QE TYR 56 QE TYR 56 -3.015 -10.521 0.646 508 QR TYR 56 QR TYR 56 -3.164 -9.602 -0.160 509 H SER 57 H SER 57 -0.882 -8.800 -4.363 510 HA SER 57 HA SER 57 -2.847 -10.132 -6.062 511 1HB SER 57 2HB SER 57 -1.258 -8.811 -7.315 512 2HB SER 57 1HB SER 57 0.092 -9.628 -6.541 513 HG SER 57 HG SER 57 -1.236 -10.311 -8.717 514 QB SER 57 QB SER 57 -0.583 -9.220 -6.928 515 H GLN 58 H GLN 58 -3.397 -11.847 -4.773 516 HA GLN 58 HA GLN 58 -3.339 -14.067 -4.206 517 1HB GLN 58 2HB GLN 58 -2.189 -14.315 -6.375 518 2HB GLN 58 1HB GLN 58 -0.649 -14.023 -5.589 519 1HG GLN 58 2HG GLN 58 -0.904 -16.363 -6.046 520 2HG GLN 58 1HG GLN 58 -0.956 -16.092 -4.307 521 1HE2 GLN 58 1HE2 GLN 58 -2.768 -16.969 -7.104 522 2HE2 GLN 58 2HE2 GLN 58 -4.142 -17.590 -6.260 523 QB GLN 58 QB GLN 58 -1.419 -14.169 -5.982 524 QG GLN 58 QG GLN 58 -0.930 -16.228 -5.176 525 QE GLN 58 QE2 GLN 58 -3.455 -17.280 -6.682 526 H GLY 59 H GLY 59 -1.044 -11.947 -2.997 527 1HA GLY 59 1HA GLY 59 0.172 -13.812 -1.126 528 2HA GLY 59 2HA GLY 59 -0.902 -12.595 -0.437 529 QA GLY 59 QA GLY 59 -0.365 -13.204 -0.781 530 H VAL 60 H VAL 60 0.858 -11.813 -3.299 531 HA VAL 60 HA VAL 60 2.912 -10.520 -1.745 532 HB VAL 60 HB VAL 60 4.030 -9.946 -3.795 533 1HG1 VAL 60 2HG1 VAL 60 4.383 -12.198 -3.071 534 2HG1 VAL 60 1HG1 VAL 60 2.980 -12.744 -3.985 535 3HG1 VAL 60 3HG1 VAL 60 4.396 -12.127 -4.834 536 1HG2 VAL 60 2HG2 VAL 60 2.128 -9.280 -5.174 537 2HG2 VAL 60 1HG2 VAL 60 3.142 -10.444 -6.034 538 3HG2 VAL 60 3HG2 VAL 60 1.621 -10.964 -5.306 539 MG1 VAL 60 QG1 VAL 60 3.920 -12.357 -3.963 540 MG2 VAL 60 QG2 VAL 60 2.297 -10.229 -5.505 541 QG VAL 60 QQG VAL 60 3.108 -11.293 -4.734 542 H PHE 61 H PHE 61 3.192 -8.348 -1.635 543 HA PHE 61 HA PHE 61 0.775 -6.765 -2.113 544 1HB PHE 61 2HB PHE 61 2.936 -6.812 -0.216 545 2HB PHE 61 1HB PHE 61 2.589 -5.200 -0.822 546 HD1 PHE 61 1HD PHE 61 2.360 -6.836 1.876 547 HD2 PHE 61 2HD PHE 61 -0.421 -5.319 -0.989 548 HE1 PHE 61 1HE PHE 61 0.708 -6.548 3.624 549 HE2 PHE 61 2HE PHE 61 -2.064 -5.020 0.803 550 HZ PHE 61 HZ PHE 61 -1.431 -5.580 3.114 551 QB PHE 61 QB PHE 61 2.763 -6.006 -0.519 552 QD PHE 61 QD PHE 61 0.969 -6.077 0.444 553 QE PHE 61 QE PHE 61 -0.678 -5.784 2.214 554 QR PHE 61 QR PHE 61 -0.169 -5.861 1.686 555 H PHE 62 H PHE 62 0.760 -5.045 -3.476 556 HA PHE 62 HA PHE 62 3.246 -3.718 -4.000 557 1HB PHE 62 2HB PHE 62 2.923 -4.951 -6.083 558 2HB PHE 62 1HB PHE 62 1.246 -4.411 -6.176 559 HD1 PHE 62 1HD PHE 62 4.737 -3.100 -6.137 560 HD2 PHE 62 2HD PHE 62 0.707 -2.446 -7.323 561 HE1 PHE 62 1HE PHE 62 5.429 -1.083 -7.355 562 HE2 PHE 62 2HE PHE 62 1.401 -0.420 -8.555 563 HZ PHE 62 HZ PHE 62 3.757 0.260 -8.563 564 QB PHE 62 QB PHE 62 2.085 -4.681 -6.129 565 QD PHE 62 QD PHE 62 2.722 -2.773 -6.730 566 QE PHE 62 QE PHE 62 3.415 -0.752 -7.955 567 QR PHE 62 QR PHE 62 3.206 -1.358 -7.587 568 H GLN 63 H GLN 63 3.022 -1.736 -3.301 569 HA GLN 63 HA GLN 63 0.483 -0.368 -3.761 570 1HB GLN 63 2HB GLN 63 0.452 -1.154 -1.418 571 2HB GLN 63 1HB GLN 63 1.965 -0.315 -1.139 572 1HG GLN 63 2HG GLN 63 0.900 1.832 -1.673 573 2HG GLN 63 1HG GLN 63 -0.630 1.007 -1.928 574 1HE2 GLN 63 1HE2 GLN 63 -1.780 0.284 -0.178 575 2HE2 GLN 63 2HE2 GLN 63 -1.382 0.779 1.433 576 QB GLN 63 QB GLN 63 1.208 -0.734 -1.278 577 QG GLN 63 QG GLN 63 0.135 1.420 -1.800 578 QE GLN 63 QE2 GLN 63 -1.581 0.531 0.628 579 H TRP 64 H TRP 64 0.767 1.789 -4.217 580 HA TRP 64 HA TRP 64 3.329 2.809 -3.580 581 1HB TRP 64 2HB TRP 64 3.918 3.546 -5.714 582 2HB TRP 64 1HB TRP 64 3.255 1.904 -5.964 583 HD1 TRP 64 HD TRP 64 3.416 5.154 -7.392 584 HE1 TRP 64 1HE TRP 64 1.568 5.550 -9.042 585 HE3 TRP 64 3HE TRP 64 0.385 1.325 -6.041 586 HZ2 TRP 64 2HZ TRP 64 -0.940 4.382 -9.727 587 HZ3 TRP 64 3HZ TRP 64 -1.728 1.047 -7.187 588 HH2 TRP 64 HH TRP 64 -2.378 2.535 -9.026 589 QB TRP 64 QB TRP 64 3.587 2.725 -5.839 590 H LEU 65 H LEU 65 3.273 5.160 -3.638 591 HA LEU 65 HA LEU 65 0.616 6.301 -3.678 592 1HB LEU 65 2HB LEU 65 1.289 7.615 -1.583 593 2HB LEU 65 1HB LEU 65 0.679 5.992 -1.397 594 HG LEU 65 HG LEU 65 3.611 6.320 -1.593 595 1HD1 LEU 65 1HD1 LEU 65 1.955 6.965 0.853 596 2HD1 LEU 65 3HD1 LEU 65 3.711 6.798 0.832 597 3HD1 LEU 65 2HD1 LEU 65 2.945 8.111 -0.065 598 1HD2 LEU 65 1HD2 LEU 65 2.611 4.099 -1.370 599 2HD2 LEU 65 3HD2 LEU 65 3.567 4.499 0.057 600 3HD2 LEU 65 2HD2 LEU 65 1.810 4.596 0.121 601 MD1 LEU 65 QD1 LEU 65 2.871 7.291 0.540 602 MD2 LEU 65 QD2 LEU 65 2.662 4.398 -0.397 603 QB LEU 65 QB LEU 65 0.984 6.803 -1.490 604 QD LEU 65 QQD LEU 65 2.767 5.845 0.071 605 H GLU 66 H GLU 66 0.483 8.344 -4.196 606 HA GLU 66 HA GLU 66 2.839 9.682 -5.317 607 1HB GLU 66 2HB GLU 66 -0.053 10.533 -5.430 608 2HB GLU 66 1HB GLU 66 1.275 11.006 -6.459 609 1HG GLU 66 2HG GLU 66 1.220 8.919 -7.612 610 2HG GLU 66 1HG GLU 66 0.006 8.288 -6.488 611 QB GLU 66 QB GLU 66 0.611 10.770 -5.944 612 QG GLU 66 QG GLU 66 0.613 8.604 -7.050 613 H GLY 67 H GLY 67 3.664 11.251 -3.927 614 1HA GLY 67 1HA GLY 67 2.678 11.989 -1.502 615 2HA GLY 67 2HA GLY 67 1.855 13.033 -2.660 616 QA GLY 67 QA GLY 67 2.267 12.511 -2.081 617 H HIS 68 H HIS 68 3.253 14.556 -1.161 618 HA HIS 68 HA HIS 68 5.557 15.417 -2.611 619 1HB HIS 68 2HB HIS 68 4.325 17.087 -1.433 620 2HB HIS 68 1HB HIS 68 4.402 16.252 0.081 621 HD1 HIS 68 1HD HIS 68 6.409 16.690 1.559 622 HD2 HIS 68 2HD HIS 68 6.397 18.387 -2.114 623 HE1 HIS 68 1HE HIS 68 8.496 18.044 1.590 624 HE2 HIS 68 2HE HIS 68 8.314 19.421 -0.548 625 QB HIS 68 QB HIS 68 4.363 16.669 -0.676 626 HA PRO 69 HA PRO 69 8.607 12.369 -1.580 627 1HB PRO 69 2HB PRO 69 10.561 14.288 -0.750 628 2HB PRO 69 1HB PRO 69 10.485 13.385 -2.263 629 1HG PRO 69 2HG PRO 69 9.508 16.113 -1.634 630 2HG PRO 69 1HG PRO 69 10.038 15.441 -3.194 631 1HD PRO 69 2HD PRO 69 7.489 15.940 -2.731 632 2HD PRO 69 1HD PRO 69 7.950 14.442 -3.570 633 QB PRO 69 QB PRO 69 10.523 13.836 -1.507 634 QG PRO 69 QG PRO 69 9.773 15.777 -2.414 635 QD PRO 69 QD PRO 69 7.720 15.191 -3.150 636 H ALA 70 H ALA 70 8.739 14.989 0.824 637 HA ALA 70 HA ALA 70 9.667 13.116 2.750 638 1HB ALA 70 2HB ALA 70 10.390 15.407 2.924 639 2HB ALA 70 3HB ALA 70 9.486 14.890 4.372 640 3HB ALA 70 1HB ALA 70 8.681 15.889 3.161 641 MB ALA 70 QB ALA 70 9.519 15.396 3.486 642 H ALA 71 H ALA 71 6.598 14.110 1.907 643 HA ALA 71 HA ALA 71 5.289 13.285 4.273 644 1HB ALA 71 3HB ALA 71 4.427 13.296 1.465 645 2HB ALA 71 2HB ALA 71 3.317 13.172 2.843 646 3HB ALA 71 1HB ALA 71 4.240 14.688 2.553 647 MB ALA 71 QB ALA 71 3.995 13.719 2.287 648 H VAL 72 H VAL 72 6.078 11.991 1.182 649 HA VAL 72 HA VAL 72 5.010 9.390 1.288 650 HB VAL 72 HB VAL 72 7.669 9.944 -0.014 651 1HG1 VAL 72 2HG1 VAL 72 5.254 8.515 -0.799 652 2HG1 VAL 72 1HG1 VAL 72 6.753 8.601 -1.766 653 3HG1 VAL 72 3HG1 VAL 72 6.746 7.756 -0.194 654 1HG2 VAL 72 1HG2 VAL 72 5.045 10.936 -1.042 655 2HG2 VAL 72 3HG2 VAL 72 6.476 11.865 -0.519 656 3HG2 VAL 72 2HG2 VAL 72 6.568 10.818 -1.957 657 MG1 VAL 72 QG1 VAL 72 6.251 8.291 -0.919 658 MG2 VAL 72 QG2 VAL 72 6.030 11.206 -1.172 659 QG VAL 72 QQG VAL 72 6.141 9.748 -1.046 660 H ALA 73 H ALA 73 8.123 10.740 2.176 661 HA ALA 73 HA ALA 73 9.163 8.309 3.083 662 1HB ALA 73 3HB ALA 73 10.021 11.062 3.770 663 2HB ALA 73 2HB ALA 73 10.875 9.488 4.042 664 3HB ALA 73 1HB ALA 73 10.575 10.062 2.386 665 MB ALA 73 QB ALA 73 10.490 10.204 3.399 666 H GLU 74 H GLU 74 7.552 10.942 4.768 667 HA GLU 74 HA GLU 74 7.788 9.970 7.429 668 1HB GLU 74 2HB GLU 74 6.813 12.177 6.920 669 2HB GLU 74 1HB GLU 74 5.490 11.398 6.065 670 1HG GLU 74 2HG GLU 74 4.800 10.343 8.188 671 2HG GLU 74 1HG GLU 74 6.054 11.262 9.011 672 QB GLU 74 QB GLU 74 6.151 11.788 6.492 673 QG GLU 74 QG GLU 74 5.427 10.803 8.599 674 H VAL 75 H VAL 75 5.481 9.353 4.939 675 HA VAL 75 HA VAL 75 4.085 7.350 6.219 676 HB VAL 75 HB VAL 75 4.534 8.062 3.322 677 1HG1 VAL 75 1HG1 VAL 75 4.221 5.652 3.407 678 2HG1 VAL 75 3HG1 VAL 75 2.750 5.869 4.365 679 3HG1 VAL 75 2HG1 VAL 75 2.829 6.487 2.707 680 1HG2 VAL 75 3HG2 VAL 75 2.159 8.179 5.160 681 2HG2 VAL 75 2HG2 VAL 75 3.154 9.533 4.626 682 3HG2 VAL 75 1HG2 VAL 75 2.169 8.651 3.461 683 MG1 VAL 75 QG1 VAL 75 3.266 6.003 3.493 684 MG2 VAL 75 QG2 VAL 75 2.494 8.787 4.415 685 QG VAL 75 QQG VAL 75 2.880 7.395 3.954 686 H MET 76 H MET 76 6.905 6.999 3.885 687 HA MET 76 HA MET 76 7.318 4.341 4.123 688 1HB MET 76 2HB MET 76 9.393 6.491 4.065 689 2HB MET 76 1HB MET 76 9.722 4.850 3.657 690 1HG MET 76 2HG MET 76 7.697 6.436 2.204 691 2HG MET 76 1HG MET 76 9.383 6.502 1.712 692 1HE MET 76 3HE MET 76 6.189 4.563 2.130 693 2HE MET 76 2HE MET 76 6.348 3.089 1.141 694 3HE MET 76 1HE MET 76 7.177 3.224 2.710 695 QB MET 76 QB MET 76 9.557 5.671 3.861 696 QG MET 76 QG MET 76 8.540 6.469 1.958 697 ME MET 76 QE MET 76 6.571 3.625 1.994 698 H SER 77 H SER 77 8.678 6.811 6.265 699 HA SER 77 HA SER 77 10.127 5.134 7.934 700 1HB SER 77 2HB SER 77 8.610 7.613 8.780 701 2HB SER 77 1HB SER 77 10.035 6.937 9.577 702 HG SER 77 HG SER 77 9.866 8.104 6.987 703 QB SER 77 QB SER 77 9.323 7.275 9.179 704 H HIS 78 H HIS 78 6.714 6.002 8.115 705 HA HIS 78 HA HIS 78 6.255 4.422 10.434 706 1HB HIS 78 2HB HIS 78 4.342 5.620 8.438 707 2HB HIS 78 1HB HIS 78 3.781 4.581 9.736 708 HD1 HIS 78 1HD HIS 78 5.255 7.995 9.121 709 HD2 HIS 78 2HD HIS 78 3.770 5.744 12.293 710 HE1 HIS 78 1HE HIS 78 4.900 9.613 10.992 711 HE2 HIS 78 2HE HIS 78 4.373 8.172 12.955 712 QB HIS 78 QB HIS 78 4.061 5.100 9.087 713 H ILE 79 H ILE 79 5.763 3.741 6.975 714 HA ILE 79 HA ILE 79 4.568 1.167 7.516 715 HB ILE 79 HB ILE 79 5.722 1.788 4.808 716 1HG1 ILE 79 2HG1 ILE 79 3.091 2.818 5.862 717 2HG1 ILE 79 1HG1 ILE 79 4.496 3.791 5.415 718 1HG2 ILE 79 1HG2 ILE 79 4.736 -0.377 5.295 719 2HG2 ILE 79 3HG2 ILE 79 3.233 0.399 5.778 720 3HG2 ILE 79 2HG2 ILE 79 3.771 0.500 4.100 721 1HD1 ILE 79 3HD1 ILE 79 2.937 2.038 3.522 722 2HD1 ILE 79 2HD1 ILE 79 2.796 3.793 3.641 723 3HD1 ILE 79 1HD1 ILE 79 4.311 3.062 3.103 724 MG ILE 79 QG2 ILE 79 3.913 0.174 5.058 725 MD ILE 79 QD1 ILE 79 3.348 2.964 3.422 726 QG ILE 79 QG1 ILE 79 3.793 3.305 5.638 727 H GLN 80 H GLN 80 7.856 2.246 6.952 728 HA GLN 80 HA GLN 80 8.769 -0.379 6.236 729 1HB GLN 80 2HB GLN 80 10.402 2.034 7.032 730 2HB GLN 80 1HB GLN 80 11.051 0.550 6.353 731 1HG GLN 80 2HG GLN 80 9.294 2.593 4.969 732 2HG GLN 80 1HG GLN 80 10.932 2.121 4.541 733 1HE2 GLN 80 1HE2 GLN 80 7.663 1.518 4.371 734 2HE2 GLN 80 2HE2 GLN 80 7.750 0.267 3.181 735 QB GLN 80 QB GLN 80 10.727 1.292 6.693 736 QG GLN 80 QG GLN 80 10.113 2.357 4.755 737 QE GLN 80 QE2 GLN 80 7.707 0.893 3.776 738 H ARG 81 H ARG 81 8.141 1.236 9.116 739 HA ARG 81 HA ARG 81 9.627 -0.763 10.629 740 1HB ARG 81 2HB ARG 81 8.160 1.726 11.533 741 2HB ARG 81 1HB ARG 81 9.103 0.673 12.574 742 1HG ARG 81 2HG ARG 81 10.132 2.418 10.352 743 2HG ARG 81 1HG ARG 81 10.345 2.595 12.100 744 1HD ARG 81 2HD ARG 81 11.696 0.592 12.195 745 2HD ARG 81 1HD ARG 81 11.392 0.266 10.491 746 HE ARG 81 HE ARG 81 12.511 2.800 10.721 747 1HH1 ARG 81 1HH1 ARG 81 13.477 -0.601 11.108 748 2HH1 ARG 81 2HH1 ARG 81 15.105 -0.314 10.755 749 1HH2 ARG 81 1HH2 ARG 81 14.784 3.177 10.242 750 2HH2 ARG 81 2HH2 ARG 81 15.870 1.875 10.265 751 QB ARG 81 QB ARG 81 8.632 1.200 12.053 752 QG ARG 81 QG ARG 81 10.238 2.506 11.226 753 QD ARG 81 QD ARG 81 11.544 0.429 11.343 754 QH1 ARG 81 QH1 ARG 81 14.291 -0.458 10.932 755 QH2 ARG 81 QH2 ARG 81 15.327 2.526 10.254 756 H ASP 82 H ASP 82 7.276 -1.312 8.977 757 HA ASP 82 HA ASP 82 5.069 -1.681 10.758 758 1HB ASP 82 2HB ASP 82 4.931 -1.418 8.117 759 2HB ASP 82 1HB ASP 82 5.413 -3.063 8.156 760 QB ASP 82 QB ASP 82 5.172 -2.241 8.137 761 H ARG 83 H ARG 83 4.610 -4.407 9.378 762 HA ARG 83 HA ARG 83 5.903 -6.393 10.727 763 1HB ARG 83 2HB ARG 83 4.674 -6.435 12.925 764 2HB ARG 83 1HB ARG 83 5.871 -5.158 12.768 765 1HG ARG 83 2HG ARG 83 4.184 -3.886 13.647 766 2HG ARG 83 1HG ARG 83 3.739 -3.812 11.941 767 1HD ARG 83 2HD ARG 83 1.804 -4.373 13.447 768 2HD ARG 83 1HD ARG 83 2.137 -5.606 12.227 769 HE ARG 83 HE ARG 83 3.552 -6.129 14.615 770 1HH1 ARG 83 1HH1 ARG 83 0.229 -6.375 13.352 771 2HH1 ARG 83 2HH1 ARG 83 -0.132 -7.716 14.325 772 1HH2 ARG 83 1HH2 ARG 83 3.001 -7.958 15.891 773 2HH2 ARG 83 2HH2 ARG 83 1.434 -8.619 15.782 774 QB ARG 83 QB ARG 83 5.273 -5.797 12.847 775 QG ARG 83 QG ARG 83 3.961 -3.849 12.794 776 QD ARG 83 QD ARG 83 1.971 -4.990 12.837 777 QH1 ARG 83 QH1 ARG 83 0.049 -7.046 13.838 778 QH2 ARG 83 QH2 ARG 83 2.218 -8.288 15.837 779 H ARG 84 H ARG 84 2.857 -4.894 9.746 780 HA ARG 84 HA ARG 84 1.125 -7.143 10.028 781 1HB ARG 84 2HB ARG 84 0.942 -4.996 7.894 782 2HB ARG 84 1HB ARG 84 -0.365 -5.908 8.588 783 1HG ARG 84 2HG ARG 84 1.180 -3.802 10.087 784 2HG ARG 84 1HG ARG 84 -0.269 -3.473 9.157 785 1HD ARG 84 2HD ARG 84 -1.477 -5.094 10.626 786 2HD ARG 84 1HD ARG 84 -0.020 -5.189 11.623 787 HE ARG 84 HE ARG 84 -0.567 -2.514 11.314 788 1HH1 ARG 84 1HH1 ARG 84 -2.270 -5.261 12.838 789 2HH1 ARG 84 2HH1 ARG 84 -3.125 -4.262 13.911 790 1HH2 ARG 84 1HH2 ARG 84 -1.806 -1.212 12.742 791 2HH2 ARG 84 2HH2 ARG 84 -2.843 -1.915 13.889 792 QB ARG 84 QB ARG 84 0.288 -5.452 8.241 793 QG ARG 84 QG ARG 84 0.456 -3.638 9.622 794 QD ARG 84 QD ARG 84 -0.749 -5.142 11.125 795 QH1 ARG 84 QH1 ARG 84 -2.698 -4.761 13.374 796 QH2 ARG 84 QH2 ARG 84 -2.325 -1.564 13.315 797 H HIS 85 H HIS 85 2.877 -5.619 7.473 798 HA HIS 85 HA HIS 85 2.526 -7.829 5.690 799 1HB HIS 85 2HB HIS 85 3.352 -6.376 3.899 800 2HB HIS 85 1HB HIS 85 1.981 -5.685 4.744 801 HD1 HIS 85 1HD HIS 85 3.113 -3.655 3.180 802 HD2 HIS 85 2HD HIS 85 5.002 -4.384 6.846 803 HE1 HIS 85 1HE HIS 85 4.553 -1.693 3.803 804 HE2 HIS 85 2HE HIS 85 5.257 -2.122 6.075 805 QB HIS 85 QB HIS 85 2.667 -6.030 4.322 806 H SER 86 H SER 86 4.470 -8.012 4.170 807 HA SER 86 HA SER 86 6.547 -8.697 5.959 808 1HB SER 86 2HB SER 86 5.076 -9.878 4.011 809 2HB SER 86 1HB SER 86 6.730 -10.617 4.094 810 HG SER 86 HG SER 86 5.773 -10.336 6.526 811 QB SER 86 QB SER 86 5.903 -10.248 4.053 812 H ASN 87 H ASN 87 8.297 -7.755 5.611 813 HA ASN 87 HA ASN 87 10.233 -7.042 4.902 814 1HB ASN 87 2HB ASN 87 9.737 -8.017 2.071 815 2HB ASN 87 1HB ASN 87 11.227 -7.472 2.749 816 1HD2 ASN 87 1HD2 ASN 87 8.987 -10.128 2.739 817 2HD2 ASN 87 2HD2 ASN 87 10.035 -11.227 3.553 818 QB ASN 87 QB ASN 87 10.482 -7.744 2.410 819 QD ASN 87 QD2 ASN 87 9.511 -10.677 3.146 820 H VAL 88 H VAL 88 7.779 -6.013 3.087 821 HA VAL 88 HA VAL 88 7.631 -4.364 1.594 822 HB VAL 88 HB VAL 88 6.478 -3.701 3.519 823 1HG1 VAL 88 3HG1 VAL 88 8.173 -3.757 5.108 824 2HG1 VAL 88 2HG1 VAL 88 8.773 -2.144 4.463 825 3HG1 VAL 88 1HG1 VAL 88 7.113 -2.318 5.088 826 1HG2 VAL 88 1HG2 VAL 88 7.931 -1.428 2.247 827 2HG2 VAL 88 3HG2 VAL 88 6.432 -2.162 1.668 828 3HG2 VAL 88 2HG2 VAL 88 6.444 -1.269 3.195 829 MG1 VAL 88 QG1 VAL 88 8.020 -2.740 4.886 830 MG2 VAL 88 QG2 VAL 88 6.936 -1.619 2.370 831 QG VAL 88 QQG VAL 88 7.478 -2.179 3.628 832 H GLU 89 H GLU 89 8.937 -4.188 0.037 833 HA GLU 89 HA GLU 89 11.237 -2.525 0.603 834 1HB GLU 89 2HB GLU 89 11.576 -5.032 0.246 835 2HB GLU 89 1HB GLU 89 11.265 -4.665 -1.437 836 1HG GLU 89 2HG GLU 89 13.523 -4.805 -0.699 837 2HG GLU 89 1HG GLU 89 13.207 -3.301 -1.587 838 QB GLU 89 QB GLU 89 11.420 -4.848 -0.596 839 QG GLU 89 QG GLU 89 13.365 -4.053 -1.143 840 H ILE 90 H ILE 90 10.402 -0.875 -0.024 841 HA ILE 90 HA ILE 90 8.949 0.153 -2.096 842 HB ILE 90 HB ILE 90 11.575 1.454 -1.508 843 1HG1 ILE 90 2HG1 ILE 90 10.967 0.681 0.668 844 2HG1 ILE 90 1HG1 ILE 90 10.666 2.410 0.587 845 1HG2 ILE 90 1HG2 ILE 90 9.929 2.715 -2.946 846 2HG2 ILE 90 3HG2 ILE 90 8.751 2.576 -1.626 847 3HG2 ILE 90 2HG2 ILE 90 10.173 3.526 -1.391 848 1HD1 ILE 90 1HD1 ILE 90 8.314 1.994 0.223 849 2HD1 ILE 90 3HD1 ILE 90 8.614 0.259 0.304 850 3HD1 ILE 90 2HD1 ILE 90 8.877 1.264 1.737 851 MG ILE 90 QG2 ILE 90 9.618 2.939 -1.987 852 MD ILE 90 QD1 ILE 90 8.602 1.173 0.755 853 QG ILE 90 QG1 ILE 90 10.817 1.546 0.627 854 H LEU 91 H LEU 91 12.341 0.190 -2.473 855 HA LEU 91 HA LEU 91 13.734 -0.347 -4.131 856 1HB LEU 91 2HB LEU 91 11.424 -1.893 -5.308 857 2HB LEU 91 1HB LEU 91 13.042 -1.889 -5.971 858 HG LEU 91 HG LEU 91 12.261 -2.966 -3.251 859 1HD1 LEU 91 2HD1 LEU 91 13.047 -4.381 -5.787 860 2HD1 LEU 91 1HD1 LEU 91 12.761 -5.138 -4.219 861 3HD1 LEU 91 3HD1 LEU 91 11.435 -4.344 -5.068 862 1HD2 LEU 91 3HD2 LEU 91 14.913 -2.936 -4.713 863 2HD2 LEU 91 2HD2 LEU 91 14.521 -2.086 -3.220 864 3HD2 LEU 91 1HD2 LEU 91 14.577 -3.842 -3.235 865 MD1 LEU 91 QD1 LEU 91 12.415 -4.621 -5.025 866 MD2 LEU 91 QD2 LEU 91 14.670 -2.955 -3.722 867 QB LEU 91 QB LEU 91 12.233 -1.891 -5.639 868 QD LEU 91 QQD LEU 91 13.542 -3.788 -4.374 869 H ALA 92 H ALA 92 10.711 1.116 -4.890 870 HA ALA 92 HA ALA 92 12.113 2.529 -7.049 871 1HB ALA 92 1HB ALA 92 10.677 0.959 -8.127 872 2HB ALA 92 2HB ALA 92 9.954 2.577 -8.299 873 3HB ALA 92 3HB ALA 92 9.333 1.441 -7.103 874 MB ALA 92 QB ALA 92 9.988 1.659 -7.843 875 H GLU 93 H GLU 93 12.319 4.507 -6.386 876 HA GLU 93 HA GLU 93 9.918 5.874 -5.430 877 1HB GLU 93 2HB GLU 93 12.781 6.453 -4.490 878 2HB GLU 93 1HB GLU 93 11.304 7.310 -4.038 879 1HG GLU 93 2HG GLU 93 10.434 5.569 -2.902 880 2HG GLU 93 1HG GLU 93 11.682 4.443 -3.464 881 QB GLU 93 QB GLU 93 12.042 6.881 -4.264 882 QG GLU 93 QG GLU 93 11.058 5.006 -3.183 883 H GLU 94 H GLU 94 9.292 7.179 -6.958 884 HA GLU 94 HA GLU 94 11.293 8.318 -8.782 885 1HB GLU 94 2HB GLU 94 9.549 7.988 -10.581 886 2HB GLU 94 1HB GLU 94 10.289 6.519 -9.962 887 1HG GLU 94 2HG GLU 94 8.267 6.334 -8.428 888 2HG GLU 94 1HG GLU 94 7.542 7.594 -9.430 889 QB GLU 94 QB GLU 94 9.919 7.253 -10.272 890 QG GLU 94 QG GLU 94 7.905 6.964 -8.929 891 H SER 95 H SER 95 11.066 10.424 -9.291 892 HA SER 95 HA SER 95 9.337 12.031 -7.704 893 1HB SER 95 2HB SER 95 11.115 12.823 -9.997 894 2HB SER 95 1HB SER 95 10.592 13.821 -8.635 895 HG SER 95 HG SER 95 12.229 13.084 -7.558 896 QB SER 95 QB SER 95 10.853 13.322 -9.316 897 H ILE 96 H ILE 96 7.412 12.750 -8.219 898 HA ILE 96 HA ILE 96 6.490 12.617 -11.053 899 HB ILE 96 HB ILE 96 4.313 12.151 -10.287 900 1HG1 ILE 96 2HG1 ILE 96 5.518 11.259 -7.689 901 2HG1 ILE 96 1HG1 ILE 96 4.880 12.878 -7.877 902 1HG2 ILE 96 1HG2 ILE 96 5.727 10.410 -11.211 903 2HG2 ILE 96 3HG2 ILE 96 6.416 10.075 -9.625 904 3HG2 ILE 96 2HG2 ILE 96 4.719 9.707 -9.942 905 1HD1 ILE 96 1HD1 ILE 96 3.262 10.414 -8.359 906 2HD1 ILE 96 3HD1 ILE 96 3.444 11.207 -6.797 907 3HD1 ILE 96 2HD1 ILE 96 2.739 12.112 -8.114 908 MG ILE 96 QG2 ILE 96 5.621 10.064 -10.259 909 MD ILE 96 QD1 ILE 96 3.148 11.244 -7.757 910 QG ILE 96 QG1 ILE 96 5.199 12.068 -7.783 911 H ALA 97 H ALA 97 4.375 13.693 -11.416 912 HA ALA 97 HA ALA 97 4.313 16.276 -10.068 913 1HB ALA 97 2HB ALA 97 4.632 16.433 -12.481 914 2HB ALA 97 3HB ALA 97 3.019 17.045 -11.959 915 3HB ALA 97 1HB ALA 97 3.156 15.438 -12.653 916 MB ALA 97 QB ALA 97 3.602 16.305 -12.364 917 H LYS 98 H LYS 98 3.155 13.550 -10.006 918 HA LYS 98 HA LYS 98 1.363 12.404 -9.251 919 1HB LYS 98 2HB LYS 98 2.065 14.091 -7.639 920 2HB LYS 98 1HB LYS 98 0.694 15.029 -8.160 921 1HG LYS 98 2HG LYS 98 -0.018 12.345 -7.515 922 2HG LYS 98 1HG LYS 98 0.976 13.123 -6.310 923 1HD LYS 98 2HD LYS 98 -0.937 14.996 -7.047 924 2HD LYS 98 1HD LYS 98 -1.763 13.485 -6.557 925 1HE LYS 98 2HE LYS 98 -0.252 13.374 -4.742 926 2HE LYS 98 1HE LYS 98 0.363 14.975 -5.204 927 1HZ LYS 98 3HZ LYS 98 -2.517 14.517 -4.526 928 2HZ LYS 98 2HZ LYS 98 -1.419 15.061 -3.367 929 3HZ LYS 98 1HZ LYS 98 -1.736 15.981 -4.750 930 QB LYS 98 QB LYS 98 1.379 14.560 -7.899 931 QD LYS 98 QD LYS 98 -1.350 14.240 -6.802 932 QG LYS 98 QG LYS 98 0.479 12.734 -6.912 933 QE LYS 98 QE LYS 98 0.055 14.175 -4.973 934 QZ LYS 98 QZ LYS 98 -1.891 15.186 -4.215 935 H ARG 99 H ARG 99 -1.144 13.011 -8.816 936 HA ARG 99 HA ARG 99 -3.196 13.465 -9.613 937 1HB ARG 99 2HB ARG 99 -1.727 15.448 -10.906 938 2HB ARG 99 1HB ARG 99 -2.391 14.561 -12.245 939 1HG ARG 99 2HG ARG 99 -4.039 15.785 -10.025 940 2HG ARG 99 1HG ARG 99 -3.763 16.505 -11.607 941 1HD ARG 99 2HD ARG 99 -5.156 13.872 -11.092 942 2HD ARG 99 1HD ARG 99 -5.957 15.402 -11.443 943 HE ARG 99 HE ARG 99 -4.039 14.350 -13.368 944 1HH1 ARG 99 1HH1 ARG 99 -7.438 15.032 -12.586 945 2HH1 ARG 99 2HH1 ARG 99 -7.979 14.772 -14.164 946 1HH2 ARG 99 1HH2 ARG 99 -4.794 14.022 -15.504 947 2HH2 ARG 99 2HH2 ARG 99 -6.460 14.176 -15.878 948 QB ARG 99 QB ARG 99 -2.059 15.005 -11.575 949 QG ARG 99 QG ARG 99 -3.901 16.145 -10.816 950 QD ARG 99 QD ARG 99 -5.557 14.637 -11.268 951 QH1 ARG 99 QH1 ARG 99 -7.709 14.902 -13.375 952 QH2 ARG 99 QH2 ARG 99 -5.627 14.099 -15.691 953 H ARG 100 H ARG 100 -1.865 11.093 -9.819 954 HA ARG 100 HA ARG 100 -2.731 10.040 -12.378 955 1HB ARG 100 2HB ARG 100 -1.337 8.703 -10.062 956 2HB ARG 100 1HB ARG 100 -1.660 7.971 -11.629 957 1HG ARG 100 2HG ARG 100 -0.204 9.547 -12.717 958 2HG ARG 100 1HG ARG 100 -0.002 10.420 -11.190 959 1HD ARG 100 2HD ARG 100 1.947 8.961 -11.681 960 2HD ARG 100 1HD ARG 100 1.104 8.460 -10.217 961 HE ARG 100 HE ARG 100 0.025 7.027 -12.337 962 1HH1 ARG 100 1HH1 ARG 100 3.162 7.231 -10.681 963 2HH1 ARG 100 2HH1 ARG 100 3.601 5.625 -11.066 964 1HH2 ARG 100 1HH2 ARG 100 0.627 4.831 -12.803 965 2HH2 ARG 100 2HH2 ARG 100 2.108 4.203 -12.266 966 QB ARG 100 QB ARG 100 -1.498 8.337 -10.845 967 QG ARG 100 QG ARG 100 -0.103 9.983 -11.954 968 QD ARG 100 QD ARG 100 1.525 8.711 -10.949 969 QH1 ARG 100 QH1 ARG 100 3.381 6.428 -10.874 970 QH2 ARG 100 QH2 ARG 100 1.368 4.517 -12.534 971 H PHE 101 H PHE 101 -3.196 9.188 -8.889 972 HA PHE 101 HA PHE 101 -5.728 8.046 -9.780 973 1HB PHE 101 2HB PHE 101 -3.929 7.217 -7.547 974 2HB PHE 101 1HB PHE 101 -5.640 6.820 -7.469 975 HD1 PHE 101 1HD PHE 101 -6.289 4.796 -8.289 976 HD2 PHE 101 2HD PHE 101 -2.822 6.637 -9.923 977 HE1 PHE 101 1HE PHE 101 -5.940 2.843 -9.734 978 HE2 PHE 101 2HE PHE 101 -2.468 4.678 -11.369 979 HZ PHE 101 HZ PHE 101 -4.026 2.785 -11.280 980 QB PHE 101 QB PHE 101 -4.784 7.019 -7.508 981 QD PHE 101 QD PHE 101 -4.556 5.716 -9.106 982 QE PHE 101 QE PHE 101 -4.204 3.760 -10.552 983 QR PHE 101 QR PHE 101 -4.309 4.348 -10.119 984 H ALA 102 H ALA 102 -4.566 10.453 -8.138 985 HA ALA 102 HA ALA 102 -5.414 12.254 -6.980 986 1HB ALA 102 1HB ALA 102 -6.885 12.337 -8.960 987 2HB ALA 102 2HB ALA 102 -7.620 13.039 -7.521 988 3HB ALA 102 3HB ALA 102 -8.100 11.428 -8.065 989 MB ALA 102 QB ALA 102 -7.535 12.268 -8.182 990 H GLY 103 H GLY 103 -6.536 9.265 -6.033 991 1HA GLY 103 1HA GLY 103 -8.050 9.330 -3.857 992 2HA GLY 103 2HA GLY 103 -6.624 10.199 -3.268 993 QA GLY 103 QA GLY 103 -7.337 9.765 -3.562 994 H TRP 104 H TRP 104 -6.422 8.178 -1.770 995 HA TRP 104 HA TRP 104 -4.953 6.171 -3.246 996 1HB TRP 104 2HB TRP 104 -3.774 6.929 -1.264 997 2HB TRP 104 1HB TRP 104 -5.192 6.722 -0.270 998 HD1 TRP 104 HD TRP 104 -2.109 4.822 -1.442 999 HE1 TRP 104 1HE TRP 104 -2.159 2.491 -0.387 1000 HE3 TRP 104 3HE TRP 104 -6.849 4.848 0.479 1001 HZ2 TRP 104 2HZ TRP 104 -4.004 0.893 1.074 1002 HZ3 TRP 104 3HZ TRP 104 -7.642 3.112 1.593 1003 HH2 TRP 104 HH TRP 104 -6.359 1.112 1.951 1004 QB TRP 104 QB TRP 104 -4.483 6.825 -0.767 1005 H HIS 105 H HIS 105 -5.498 4.048 -3.415 1006 HA HIS 105 HA HIS 105 -8.322 3.479 -2.806 1007 1HB HIS 105 2HB HIS 105 -6.663 3.013 -5.242 1008 2HB HIS 105 1HB HIS 105 -8.234 2.215 -5.027 1009 HD1 HIS 105 1HD HIS 105 -6.579 5.451 -5.903 1010 HD2 HIS 105 2HD HIS 105 -10.442 4.030 -5.311 1011 HE1 HIS 105 1HE HIS 105 -8.101 7.193 -6.885 1012 HE2 HIS 105 2HE HIS 105 -10.414 6.412 -6.349 1013 QB HIS 105 QB HIS 105 -7.448 2.614 -5.135 1014 H MET 106 H MET 106 -8.778 1.155 -2.588 1015 HA MET 106 HA MET 106 -6.428 -0.534 -2.134 1016 1HB MET 106 2HB MET 106 -7.506 0.590 0.007 1017 2HB MET 106 1HB MET 106 -8.744 -0.630 -0.222 1018 1HG MET 106 2HG MET 106 -5.802 -1.152 0.264 1019 2HG MET 106 1HG MET 106 -7.082 -1.294 1.456 1020 1HE MET 106 1HE MET 106 -4.985 -3.629 1.112 1021 2HE MET 106 3HE MET 106 -6.394 -3.742 2.172 1022 3HE MET 106 2HE MET 106 -6.015 -5.032 1.015 1023 QB MET 106 QB MET 106 -8.125 -0.020 -0.108 1024 QG MET 106 QG MET 106 -6.442 -1.223 0.860 1025 ME MET 106 QE MET 106 -5.798 -4.134 1.433 1026 H GLN 107 H GLN 107 -6.705 -2.438 -3.063 1027 HA GLN 107 HA GLN 107 -8.672 -3.138 -4.822 1028 1HB GLN 107 2HB GLN 107 -6.470 -4.120 -4.787 1029 2HB GLN 107 1HB GLN 107 -6.798 -4.895 -3.251 1030 1HG GLN 107 2HG GLN 107 -8.441 -6.343 -4.313 1031 2HG GLN 107 1HG GLN 107 -8.179 -5.529 -5.857 1032 1HE2 GLN 107 1HE2 GLN 107 -7.753 -8.342 -5.108 1033 2HE2 GLN 107 2HE2 GLN 107 -6.082 -8.660 -5.409 1034 QB GLN 107 QB GLN 107 -6.634 -4.508 -4.019 1035 QG GLN 107 QG GLN 107 -8.310 -5.936 -5.085 1036 QE GLN 107 QE2 GLN 107 -6.917 -8.501 -5.259 1037 H LEU 108 H LEU 108 -8.590 -3.844 -1.377 1038 HA LEU 108 HA LEU 108 -10.512 -5.803 -1.058 1039 1HB LEU 108 2HB LEU 108 -9.191 -4.953 0.787 1040 2HB LEU 108 1HB LEU 108 -9.953 -3.387 0.669 1041 HG LEU 108 HG LEU 108 -12.097 -4.422 1.385 1042 1HD1 LEU 108 1HD1 LEU 108 -10.415 -6.877 1.832 1043 2HD1 LEU 108 3HD1 LEU 108 -12.075 -6.646 2.384 1044 3HD1 LEU 108 2HD1 LEU 108 -11.727 -6.694 0.660 1045 1HD2 LEU 108 3HD2 LEU 108 -10.647 -3.312 2.993 1046 2HD2 LEU 108 2HD2 LEU 108 -11.452 -4.697 3.732 1047 3HD2 LEU 108 1HD2 LEU 108 -9.763 -4.816 3.246 1048 MD1 LEU 108 QD1 LEU 108 -11.406 -6.739 1.626 1049 MD2 LEU 108 QD2 LEU 108 -10.620 -4.275 3.324 1050 QB LEU 108 QB LEU 108 -9.572 -4.170 0.728 1051 QD LEU 108 QQD LEU 108 -11.013 -5.507 2.475 1052 H SER 109 H SER 109 -10.932 -2.347 -1.470 1053 HA SER 109 HA SER 109 -12.660 -1.000 -1.717 1054 1HB SER 109 2HB SER 109 -14.111 -1.651 -3.726 1055 2HB SER 109 1HB SER 109 -12.366 -1.572 -3.976 1056 HG SER 109 HG SER 109 -12.329 -3.869 -3.710 1057 QB SER 109 QB SER 109 -13.238 -1.611 -3.851 1058 H CYS 110 H CYS 110 -14.794 -3.679 -2.405 1059 HA CYS 110 HA CYS 110 -16.415 -2.926 -0.067 1060 1HB CYS 110 2HB CYS 110 -18.384 -3.528 -1.553 1061 2HB CYS 110 1HB CYS 110 -17.529 -2.039 -1.956 1062 HG CYS 110 HG CYS 110 -17.536 -5.000 -3.674 1063 QB CYS 110 QB CYS 110 -17.956 -2.783 -1.754 1064 H SER 111 H SER 111 -14.483 -5.236 -1.050 1065 HA SER 111 HA SER 111 -14.168 -7.375 -0.940 1066 1HB SER 111 2HB SER 111 -15.211 -8.672 0.920 1067 2HB SER 111 1HB SER 111 -14.328 -7.233 1.424 1068 HG SER 111 HG SER 111 -16.764 -6.443 1.026 1069 QB SER 111 QB SER 111 -14.769 -7.953 1.172 1070 H GLU 112 H GLU 112 -14.518 -9.190 -1.957 1071 HA GLU 112 HA GLU 112 -16.817 -9.102 -3.629 1072 1HB GLU 112 2HB GLU 112 -14.519 -10.997 -3.693 1073 2HB GLU 112 1HB GLU 112 -15.668 -10.679 -5.002 1074 1HG GLU 112 2HG GLU 112 -14.205 -9.150 -5.728 1075 2HG GLU 112 1HG GLU 112 -14.693 -8.229 -4.292 1076 QB GLU 112 QB GLU 112 -15.093 -10.838 -4.347 1077 QG GLU 112 QG GLU 112 -14.449 -8.689 -5.010 1078 H ALA 113 H ALA 113 -16.775 -10.323 -0.719 1079 HA ALA 113 HA ALA 113 -17.879 -12.956 -1.177 1080 1HB ALA 113 2HB ALA 113 -18.184 -11.155 1.236 1081 2HB ALA 113 1HB ALA 113 -18.562 -12.874 1.169 1082 3HB ALA 113 3HB ALA 113 -16.893 -12.334 1.009 1083 MB ALA 113 QB ALA 113 -17.880 -12.121 1.138 1084 H ASP 114 H ASP 114 -18.941 -9.846 -1.527 1085 HA ASP 114 HA ASP 114 -21.727 -10.120 -1.251 1086 1HB ASP 114 2HB ASP 114 -20.745 -7.958 -1.282 1087 2HB ASP 114 1HB ASP 114 -20.026 -8.230 -2.861 1088 QB ASP 114 QB ASP 114 -20.385 -8.094 -2.072 1089 H MET 115 H MET 115 -19.583 -10.528 -4.096 1090 HA MET 115 HA MET 115 -21.774 -11.237 -5.785 1091 1HB MET 115 2HB MET 115 -20.145 -12.092 -7.406 1092 2HB MET 115 1HB MET 115 -19.712 -10.461 -6.883 1093 1HG MET 115 2HG MET 115 -18.004 -11.484 -5.430 1094 2HG MET 115 1HG MET 115 -18.479 -13.070 -6.037 1095 1HE MET 115 2HE MET 115 -18.180 -13.822 -8.607 1096 2HE MET 115 1HE MET 115 -19.068 -12.395 -9.146 1097 3HE MET 115 3HE MET 115 -17.495 -12.773 -9.846 1098 QB MET 115 QB MET 115 -19.929 -11.277 -7.145 1099 QG MET 115 QG MET 115 -18.241 -12.277 -5.734 1100 ME MET 115 QE MET 115 -18.248 -12.996 -9.200 1101 H ARG 116 H ARG 116 -19.929 -12.891 -3.511 1102 HA ARG 116 HA ARG 116 -20.283 -14.830 -2.367 1103 1HB ARG 116 2HB ARG 116 -22.718 -14.144 -3.241 1104 2HB ARG 116 1HB ARG 116 -22.586 -15.735 -3.989 1105 1HG ARG 116 2HG ARG 116 -23.614 -16.228 -1.985 1106 2HG ARG 116 1HG ARG 116 -21.913 -16.437 -1.548 1107 1HD ARG 116 2HD ARG 116 -22.991 -15.134 0.168 1108 2HD ARG 116 1HD ARG 116 -21.902 -14.084 -0.740 1109 HE ARG 116 HE ARG 116 -24.699 -14.152 -1.560 1110 1HH1 ARG 116 1HH1 ARG 116 -22.107 -12.312 -0.001 1111 2HH1 ARG 116 2HH1 ARG 116 -23.020 -10.893 0.180 1112 1HH2 ARG 116 1HH2 ARG 116 -25.919 -12.212 -1.385 1113 2HH2 ARG 116 2HH2 ARG 116 -25.247 -10.820 -0.663 1114 QB ARG 116 QB ARG 116 -22.652 -14.939 -3.615 1115 QG ARG 116 QG ARG 116 -22.763 -16.333 -1.766 1116 QD ARG 116 QD ARG 116 -22.447 -14.609 -0.286 1117 QH1 ARG 116 QH1 ARG 116 -22.564 -11.603 0.090 1118 QH2 ARG 116 QH2 ARG 116 -25.583 -11.516 -1.024 1119 H SER 117 H SER 117 -21.115 -15.420 -5.739 1120 HA SER 117 HA SER 117 -20.563 -18.161 -5.826 1121 1HB SER 117 2HB SER 117 -22.153 -17.016 -7.259 1122 2HB SER 117 1HB SER 117 -20.835 -16.170 -8.063 1123 HG SER 117 HG SER 117 -20.324 -18.788 -8.144 1124 QB SER 117 QB SER 117 -21.494 -16.593 -7.661 1125 H LEU 118 H LEU 118 -18.178 -15.794 -5.688 1126 HA LEU 118 HA LEU 118 -16.483 -17.144 -7.534 1127 1HB LEU 118 2HB LEU 118 -14.615 -15.768 -6.590 1128 2HB LEU 118 1HB LEU 118 -15.942 -14.902 -7.328 1129 HG LEU 118 HG LEU 118 -16.736 -14.242 -5.078 1130 1HD1 LEU 118 1HD1 LEU 118 -15.858 -16.122 -3.752 1131 2HD1 LEU 118 3HD1 LEU 118 -14.219 -15.557 -4.069 1132 3HD1 LEU 118 2HD1 LEU 118 -15.320 -14.565 -3.115 1133 1HD2 LEU 118 3HD2 LEU 118 -13.865 -13.639 -5.679 1134 2HD2 LEU 118 2HD2 LEU 118 -15.290 -12.805 -6.314 1135 3HD2 LEU 118 1HD2 LEU 118 -14.915 -12.730 -4.593 1136 MD1 LEU 118 QD1 LEU 118 -15.132 -15.414 -3.645 1137 MD2 LEU 118 QD2 LEU 118 -14.690 -13.058 -5.529 1138 QB LEU 118 QB LEU 118 -15.278 -15.335 -6.959 1139 QD LEU 118 QQD LEU 118 -14.911 -14.236 -4.587 1140 H GLY 119 H GLY 119 -17.287 -17.785 -4.332 1141 1HA GLY 119 1HA GLY 119 -14.856 -18.832 -3.369 1142 2HA GLY 119 2HA GLY 119 -15.717 -20.122 -4.203 1143 QA GLY 119 QA GLY 119 -15.286 -19.477 -3.786 1144 H LEU 120 H LEU 120 -17.299 -17.554 -2.405 1145 HA LEU 120 HA LEU 120 -17.692 -19.102 -0.044 1146 1HB LEU 120 2HB LEU 120 -17.948 -16.559 -0.226 1147 2HB LEU 120 1HB LEU 120 -19.435 -16.941 -1.104 1148 HG LEU 120 HG LEU 120 -20.462 -17.896 0.832 1149 1HD1 LEU 120 2HD1 LEU 120 -17.857 -17.386 2.271 1150 2HD1 LEU 120 1HD1 LEU 120 -19.364 -17.900 3.027 1151 3HD1 LEU 120 3HD1 LEU 120 -18.556 -18.956 1.876 1152 1HD2 LEU 120 3HD2 LEU 120 -19.147 -15.266 1.516 1153 2HD2 LEU 120 2HD2 LEU 120 -20.627 -15.476 0.586 1154 3HD2 LEU 120 1HD2 LEU 120 -20.589 -15.927 2.290 1155 MD1 LEU 120 QD1 LEU 120 -18.593 -18.080 2.392 1156 MD2 LEU 120 QD2 LEU 120 -20.121 -15.556 1.464 1157 QB LEU 120 QB LEU 120 -18.691 -16.750 -0.665 1158 QD LEU 120 QQD LEU 120 -19.357 -16.818 1.928 1159 H ALA 121 H ALA 121 -19.679 -18.302 -2.837 1160 HA ALA 121 HA ALA 121 -21.420 -20.391 -2.049 1161 1HB ALA 121 1HB ALA 121 -22.867 -19.653 -3.985 1162 2HB ALA 121 2HB ALA 121 -21.700 -18.358 -4.283 1163 3HB ALA 121 3HB ALA 121 -22.585 -18.417 -2.767 1164 MB ALA 121 QB ALA 121 -22.384 -18.810 -3.678 1165 H GLU 122 H GLU 122 -20.201 -22.095 -2.435 1166 HA GLU 122 HA GLU 122 -19.398 -22.712 -5.178 1167 1HB GLU 122 2HB GLU 122 -17.435 -21.948 -3.872 1168 2HB GLU 122 1HB GLU 122 -17.780 -23.163 -2.660 1169 1HG GLU 122 2HG GLU 122 -15.937 -23.809 -4.123 1170 2HG GLU 122 1HG GLU 122 -17.299 -24.928 -4.242 1171 QB GLU 122 QB GLU 122 -17.608 -22.556 -3.266 1172 QG GLU 122 QG GLU 122 -16.618 -24.368 -4.183 1173 H SER 123 H SER 123 -19.489 -24.937 -5.635 1174 HA SER 123 HA SER 123 -21.398 -26.344 -4.038 1175 1HB SER 123 2HB SER 123 -21.069 -28.070 -5.886 1176 2HB SER 123 1HB SER 123 -21.692 -26.502 -6.406 1177 HG SER 123 HG SER 123 -19.008 -27.377 -6.504 1178 QB SER 123 QB SER 123 -21.380 -27.286 -6.146 1179 H ARG 124 H ARG 124 -20.444 -26.861 -2.188 1180 HA ARG 124 HA ARG 124 -17.897 -28.294 -2.287 1181 1HB ARG 124 2HB ARG 124 -17.673 -28.040 0.098 1182 2HB ARG 124 1HB ARG 124 -18.143 -26.487 -0.561 1183 1HG ARG 124 2HG ARG 124 -20.152 -28.373 0.622 1184 2HG ARG 124 1HG ARG 124 -19.216 -27.278 1.629 1185 1HD ARG 124 2HD ARG 124 -20.176 -25.375 0.540 1186 2HD ARG 124 1HD ARG 124 -20.977 -26.375 -0.663 1187 HE ARG 124 HE ARG 124 -22.095 -27.403 1.385 1188 1HH1 ARG 124 1HH1 ARG 124 -21.279 -23.956 1.177 1189 2HH1 ARG 124 2HH1 ARG 124 -22.562 -23.457 2.172 1190 1HH2 ARG 124 1HH2 ARG 124 -23.830 -26.705 2.777 1191 2HH2 ARG 124 2HH2 ARG 124 -24.015 -25.047 3.110 1192 QB ARG 124 QB ARG 124 -17.908 -27.264 -0.231 1193 QG ARG 124 QG ARG 124 -19.684 -27.825 1.125 1194 QD ARG 124 QD ARG 124 -20.577 -25.875 -0.061 1195 QH1 ARG 124 QH1 ARG 124 -21.921 -23.706 1.674 1196 QH2 ARG 124 QH2 ARG 124 -23.922 -25.876 2.944 1197 H GLN 125 H GLN 125 -21.129 -28.904 -2.333 1198 HA GLN 125 HA GLN 125 -22.518 -30.518 -1.805 1199 1HB GLN 125 2HB GLN 125 -22.010 -32.634 -2.901 1200 2HB GLN 125 1HB GLN 125 -21.678 -31.251 -3.909 1201 1HG GLN 125 2HG GLN 125 -19.284 -31.479 -3.470 1202 2HG GLN 125 1HG GLN 125 -19.609 -32.876 -2.443 1203 1HE2 GLN 125 1HE2 GLN 125 -18.015 -32.656 -4.878 1204 2HE2 GLN 125 2HE2 GLN 125 -18.676 -33.802 -5.983 1205 QB GLN 125 QB GLN 125 -21.844 -31.943 -3.405 1206 QG GLN 125 QG GLN 125 -19.446 -32.178 -2.956 1207 QE GLN 125 QE2 GLN 125 -18.346 -33.229 -5.430 No H/Q in entry = 1207 Start of MODEL 12 1 H1 LEU 5 2HT LEU 5 -5.674 26.230 -30.254 2 H2 LEU 5 1HT LEU 5 -7.148 26.283 -31.104 3 H3 LEU 5 3HT LEU 5 -6.271 27.684 -30.781 4 HA LEU 5 HA LEU 5 -8.101 27.574 -29.292 5 1HB LEU 5 2HB LEU 5 -8.238 25.069 -29.334 6 2HB LEU 5 1HB LEU 5 -6.790 25.009 -28.354 7 HG LEU 5 HG LEU 5 -8.031 26.177 -26.537 8 1HD1 LEU 5 3HD1 LEU 5 -9.710 27.299 -27.897 9 2HD1 LEU 5 2HD1 LEU 5 -10.416 25.742 -28.325 10 3HD1 LEU 5 1HD1 LEU 5 -10.464 26.303 -26.652 11 1HD2 LEU 5 2HD2 LEU 5 -9.249 23.598 -27.522 12 2HD2 LEU 5 1HD2 LEU 5 -7.806 23.751 -26.526 13 3HD2 LEU 5 3HD2 LEU 5 -9.376 24.232 -25.881 14 MD1 LEU 5 QD1 LEU 5 -10.197 26.448 -27.625 15 MD2 LEU 5 QD2 LEU 5 -8.810 23.861 -26.643 16 QB LEU 5 QB LEU 5 -7.514 25.039 -28.844 17 QD LEU 5 QQD LEU 5 -9.503 25.154 -27.134 18 H GLU 6 H GLU 6 -7.762 28.370 -27.046 19 HA GLU 6 HA GLU 6 -5.227 29.555 -26.705 20 1HB GLU 6 2HB GLU 6 -7.327 30.629 -25.899 21 2HB GLU 6 1HB GLU 6 -7.473 29.259 -24.799 22 1HG GLU 6 2HG GLU 6 -6.766 31.334 -23.797 23 2HG GLU 6 1HG GLU 6 -5.596 30.033 -23.526 24 QB GLU 6 QB GLU 6 -7.400 29.944 -25.349 25 QG GLU 6 QG GLU 6 -6.181 30.684 -23.661 26 H ALA 7 H ALA 7 -3.861 29.335 -24.967 27 HA ALA 7 HA ALA 7 -3.033 26.669 -24.427 28 1HB ALA 7 2HB ALA 7 -2.109 29.238 -23.143 29 2HB ALA 7 3HB ALA 7 -1.441 28.540 -24.616 30 3HB ALA 7 1HB ALA 7 -1.280 27.681 -23.084 31 MB ALA 7 QB ALA 7 -1.610 28.486 -23.614 32 H ASP 8 H ASP 8 -3.301 25.448 -22.712 33 HA ASP 8 HA ASP 8 -5.327 26.127 -20.776 34 1HB ASP 8 2HB ASP 8 -5.231 23.866 -21.736 35 2HB ASP 8 1HB ASP 8 -3.605 23.657 -21.099 36 QB ASP 8 QB ASP 8 -4.418 23.761 -21.417 37 H VAL 9 H VAL 9 -4.980 26.347 -18.556 38 HA VAL 9 HA VAL 9 -2.764 27.614 -17.813 39 HB VAL 9 HB VAL 9 -3.577 27.354 -15.447 40 1HG1 VAL 9 1HG1 VAL 9 -5.531 28.255 -17.561 41 2HG1 VAL 9 3HG1 VAL 9 -5.591 28.706 -15.858 42 3HG1 VAL 9 2HG1 VAL 9 -4.233 29.225 -16.860 43 1HG2 VAL 9 2HG2 VAL 9 -5.673 25.815 -16.904 44 2HG2 VAL 9 1HG2 VAL 9 -4.591 25.205 -15.659 45 3HG2 VAL 9 3HG2 VAL 9 -5.858 26.376 -15.229 46 MG1 VAL 9 QG1 VAL 9 -5.119 28.728 -16.760 47 MG2 VAL 9 QG2 VAL 9 -5.374 25.799 -15.931 48 QG VAL 9 QQG VAL 9 -5.246 27.264 -16.345 49 H THR 10 H THR 10 -3.379 24.213 -17.835 50 HA THR 10 HA THR 10 -2.383 22.350 -17.230 51 HB THR 10 HB THR 10 -0.057 22.145 -17.204 52 HG1 THR 10 1HG THR 10 -0.118 24.932 -16.933 53 1HG2 THR 10 3HG2 THR 10 -0.986 24.012 -19.376 54 2HG2 THR 10 2HG2 THR 10 0.499 23.067 -19.454 55 3HG2 THR 10 1HG2 THR 10 -1.065 22.249 -19.376 56 MG THR 10 QG2 THR 10 -0.517 23.109 -19.402 57 H MET 11 H MET 11 -1.092 21.164 -15.610 58 HA MET 11 HA MET 11 -0.795 22.567 -13.104 59 1HB MET 11 2HB MET 11 -1.972 20.887 -11.803 60 2HB MET 11 1HB MET 11 -3.066 21.559 -12.995 61 1HG MET 11 2HG MET 11 -2.745 19.584 -14.385 62 2HG MET 11 1HG MET 11 -1.606 18.979 -13.178 63 1HE MET 11 3HE MET 11 -5.364 19.879 -13.934 64 2HE MET 11 2HE MET 11 -6.134 19.527 -12.388 65 3HE MET 11 1HE MET 11 -5.005 20.875 -12.523 66 QB MET 11 QB MET 11 -2.519 21.223 -12.399 67 QG MET 11 QG MET 11 -2.175 19.281 -13.782 68 ME MET 11 QE MET 11 -5.501 20.093 -12.948 69 H THR 12 H THR 12 1.091 22.152 -12.315 70 HA THR 12 HA THR 12 2.461 19.739 -13.270 71 HB THR 12 HB THR 12 4.452 20.951 -12.829 72 HG1 THR 12 1HG THR 12 2.756 23.280 -12.929 73 1HG2 THR 12 3HG2 THR 12 2.638 22.018 -14.983 74 2HG2 THR 12 2HG2 THR 12 4.379 22.307 -14.961 75 3HG2 THR 12 1HG2 THR 12 3.754 20.661 -15.094 76 MG THR 12 QG2 THR 12 3.591 21.662 -15.013 77 H GLY 13 H GLY 13 4.183 19.020 -11.830 78 1HA GLY 13 1HA GLY 13 3.490 17.821 -9.692 79 2HA GLY 13 2HA GLY 13 3.544 19.462 -9.036 80 QA GLY 13 QA GLY 13 3.517 18.642 -9.364 81 H SER 14 H SER 14 5.421 20.201 -8.379 82 HA SER 14 HA SER 14 7.864 19.247 -9.555 83 1HB SER 14 2HB SER 14 8.752 21.080 -8.015 84 2HB SER 14 1HB SER 14 7.690 21.539 -9.351 85 HG SER 14 HG SER 14 6.971 21.326 -6.584 86 QB SER 14 QB SER 14 8.221 21.309 -8.683 87 H ASP 15 H ASP 15 6.104 19.100 -6.487 88 HA ASP 15 HA ASP 15 8.246 17.553 -5.448 89 1HB ASP 15 2HB ASP 15 7.378 18.416 -3.305 90 2HB ASP 15 1HB ASP 15 8.447 19.510 -4.158 91 QB ASP 15 QB ASP 15 7.913 18.963 -3.731 92 H LEU 16 H LEU 16 6.540 16.256 -6.719 93 HA LEU 16 HA LEU 16 5.403 14.707 -4.556 94 1HB LEU 16 2HB LEU 16 4.534 14.749 -7.427 95 2HB LEU 16 1HB LEU 16 3.897 13.711 -6.168 96 HG LEU 16 HG LEU 16 2.308 15.207 -6.527 97 1HD1 LEU 16 1HD1 LEU 16 2.573 15.038 -4.196 98 2HD1 LEU 16 3HD1 LEU 16 3.745 16.354 -4.181 99 3HD1 LEU 16 2HD1 LEU 16 2.056 16.676 -4.586 100 1HD2 LEU 16 1HD2 LEU 16 4.301 17.409 -6.727 101 2HD2 LEU 16 3HD2 LEU 16 3.284 16.655 -7.970 102 3HD2 LEU 16 2HD2 LEU 16 2.538 17.639 -6.701 103 MD1 LEU 16 QD1 LEU 16 2.791 16.023 -4.321 104 MD2 LEU 16 QD2 LEU 16 3.374 17.235 -7.132 105 QB LEU 16 QB LEU 16 4.216 14.230 -6.798 106 QD LEU 16 QQD LEU 16 3.083 16.629 -5.727 107 H VAL 17 H VAL 17 5.477 12.538 -4.815 108 HA VAL 17 HA VAL 17 7.595 11.644 -6.346 109 HB VAL 17 HB VAL 17 7.655 11.870 -3.360 110 1HG1 VAL 17 3HG1 VAL 17 8.934 9.855 -5.006 111 2HG1 VAL 17 2HG1 VAL 17 9.598 10.288 -3.382 112 3HG1 VAL 17 1HG1 VAL 17 7.924 9.624 -3.563 113 1HG2 VAL 17 2HG2 VAL 17 8.925 13.502 -4.740 114 2HG2 VAL 17 1HG2 VAL 17 9.960 12.553 -3.670 115 3HG2 VAL 17 3HG2 VAL 17 9.874 12.165 -5.375 116 MG1 VAL 17 QG1 VAL 17 8.818 9.922 -3.984 117 MG2 VAL 17 QG2 VAL 17 9.586 12.740 -4.595 118 QG VAL 17 QQG VAL 17 9.202 11.331 -4.289 119 H SER 18 H SER 18 7.470 9.321 -6.376 120 HA SER 18 HA SER 18 5.119 8.046 -5.170 121 1HB SER 18 2HB SER 18 6.178 7.617 -7.959 122 2HB SER 18 1HB SER 18 5.092 6.487 -7.159 123 HG SER 18 HG SER 18 3.866 8.593 -6.811 124 QB SER 18 QB SER 18 5.635 7.052 -7.559 125 H CYS 19 H CYS 19 5.852 6.718 -3.715 126 HA CYS 19 HA CYS 19 8.244 5.157 -4.273 127 1HB CYS 19 2HB CYS 19 6.553 5.431 -1.777 128 2HB CYS 19 1HB CYS 19 7.946 4.368 -1.916 129 HG CYS 19 HG CYS 19 9.287 6.165 -0.730 130 QB CYS 19 QB CYS 19 7.250 4.899 -1.847 131 H CYS 20 H CYS 20 7.973 3.279 -5.242 132 HA CYS 20 HA CYS 20 5.274 2.108 -5.307 133 1HB CYS 20 2HB CYS 20 7.564 1.768 -7.266 134 2HB CYS 20 1HB CYS 20 5.914 1.197 -7.462 135 HG CYS 20 HG CYS 20 7.234 4.084 -8.340 136 QB CYS 20 QB CYS 20 6.739 1.482 -7.364 137 H TYR 21 H TYR 21 5.258 0.377 -3.855 138 HA TYR 21 HA TYR 21 7.851 -0.946 -3.628 139 1HB TYR 21 2HB TYR 21 7.651 -1.165 -1.322 140 2HB TYR 21 1HB TYR 21 7.278 0.502 -1.737 141 HD1 TYR 21 1HD TYR 21 5.525 -2.711 -0.808 142 HD2 TYR 21 2HD TYR 21 5.696 1.537 -0.634 143 HE1 TYR 21 1HE TYR 21 3.720 -2.700 0.834 144 HE2 TYR 21 2HE TYR 21 3.926 1.534 0.994 145 HH TYR 21 HH TYR 21 2.040 0.020 1.704 146 QB TYR 21 QB TYR 21 7.465 -0.332 -1.530 147 QD TYR 21 QD TYR 21 5.610 -0.587 -0.721 148 QE TYR 21 QE TYR 21 3.823 -0.583 0.914 149 QR TYR 21 QR TYR 21 4.717 -0.585 0.097 150 H ARG 22 H ARG 22 7.806 -3.127 -2.939 151 HA ARG 22 HA ARG 22 5.194 -4.384 -3.359 152 1HB ARG 22 2HB ARG 22 5.995 -6.001 -4.772 153 2HB ARG 22 1HB ARG 22 7.306 -4.860 -4.994 154 1HG ARG 22 2HG ARG 22 7.494 -6.975 -2.891 155 2HG ARG 22 1HG ARG 22 7.870 -7.336 -4.569 156 1HD ARG 22 2HD ARG 22 9.624 -5.692 -4.571 157 2HD ARG 22 1HD ARG 22 9.160 -5.143 -2.960 158 HE ARG 22 HE ARG 22 10.163 -7.030 -2.030 159 1HH1 ARG 22 1HH1 ARG 22 10.268 -7.376 -5.553 160 2HH1 ARG 22 2HH1 ARG 22 11.507 -8.557 -5.496 161 1HH2 ARG 22 1HH2 ARG 22 11.740 -8.569 -1.972 162 2HH2 ARG 22 2HH2 ARG 22 12.359 -9.298 -3.397 163 QB ARG 22 QB ARG 22 6.651 -5.431 -4.883 164 QG ARG 22 QG ARG 22 7.682 -7.156 -3.730 165 QD ARG 22 QD ARG 22 9.392 -5.418 -3.765 166 QH1 ARG 22 QH1 ARG 22 10.887 -7.966 -5.524 167 QH2 ARG 22 QH2 ARG 22 12.050 -8.933 -2.684 168 H SER 23 H SER 23 4.760 -6.177 -2.098 169 HA SER 23 HA SER 23 6.671 -6.712 -0.061 170 1HB SER 23 2HB SER 23 3.842 -5.889 0.614 171 2HB SER 23 1HB SER 23 4.990 -6.554 1.777 172 HG SER 23 HG SER 23 5.958 -4.484 0.306 173 QB SER 23 QB SER 23 4.416 -6.221 1.195 174 H LEU 24 H LEU 24 6.039 -8.674 1.109 175 HA LEU 24 HA LEU 24 4.456 -10.427 -0.662 176 1HB LEU 24 2HB LEU 24 6.787 -11.055 1.149 177 2HB LEU 24 1HB LEU 24 5.758 -12.317 0.524 178 HG LEU 24 HG LEU 24 7.762 -12.236 -0.774 179 1HD1 LEU 24 1HD1 LEU 24 5.734 -12.754 -1.969 180 2HD1 LEU 24 3HD1 LEU 24 5.513 -11.041 -2.342 181 3HD1 LEU 24 2HD1 LEU 24 6.891 -11.919 -3.002 182 1HD2 LEU 24 2HD2 LEU 24 8.413 -9.871 -0.334 183 2HD2 LEU 24 1HD2 LEU 24 8.489 -10.302 -2.049 184 3HD2 LEU 24 3HD2 LEU 24 7.130 -9.371 -1.444 185 MD1 LEU 24 QD1 LEU 24 6.046 -11.905 -2.438 186 MD2 LEU 24 QD2 LEU 24 8.011 -9.848 -1.276 187 QB LEU 24 QB LEU 24 6.272 -11.686 0.836 188 QD LEU 24 QQD LEU 24 7.029 -10.877 -1.857 189 H ALA 25 H ALA 25 2.983 -8.951 0.987 190 HA ALA 25 HA ALA 25 1.990 -8.775 3.198 191 1HB ALA 25 1HB ALA 25 0.398 -9.085 1.369 192 2HB ALA 25 3HB ALA 25 0.447 -10.830 1.624 193 3HB ALA 25 2HB ALA 25 -0.193 -9.767 2.879 194 MB ALA 25 QB ALA 25 0.218 -9.894 1.957 195 H ALA 26 H ALA 26 2.588 -9.444 5.248 196 HA ALA 26 HA ALA 26 3.880 -11.861 5.383 197 1HB ALA 26 2HB ALA 26 4.433 -9.938 6.724 198 2HB ALA 26 1HB ALA 26 2.889 -10.074 7.555 199 3HB ALA 26 3HB ALA 26 4.106 -11.338 7.765 200 MB ALA 26 QB ALA 26 3.809 -10.450 7.348 201 HA PRO 27 HA PRO 27 0.493 -14.688 6.761 202 1HB PRO 27 2HB PRO 27 2.000 -16.220 8.444 203 2HB PRO 27 1HB PRO 27 2.109 -16.372 6.684 204 1HG PRO 27 2HG PRO 27 3.694 -14.506 8.436 205 2HG PRO 27 1HG PRO 27 4.393 -15.828 7.410 206 1HD PRO 27 2HD PRO 27 4.403 -13.443 6.554 207 2HD PRO 27 1HD PRO 27 3.573 -14.620 5.498 208 QB PRO 27 QB PRO 27 2.055 -16.296 7.564 209 QG PRO 27 QG PRO 27 4.044 -15.167 7.923 210 QD PRO 27 QD PRO 27 3.988 -14.032 6.026 211 H ASP 28 H ASP 28 2.283 -12.706 8.614 212 HA ASP 28 HA ASP 28 1.266 -13.015 11.275 213 1HB ASP 28 2HB ASP 28 2.685 -10.723 9.893 214 2HB ASP 28 1HB ASP 28 2.302 -10.748 11.601 215 QB ASP 28 QB ASP 28 2.493 -10.735 10.747 216 H LEU 29 H LEU 29 -0.071 -11.879 8.465 217 HA LEU 29 HA LEU 29 -1.590 -9.657 9.443 218 1HB LEU 29 2HB LEU 29 -1.334 -11.123 6.901 219 2HB LEU 29 1HB LEU 29 -2.688 -10.018 7.130 220 HG LEU 29 HG LEU 29 0.222 -9.285 7.375 221 1HD1 LEU 29 1HD1 LEU 29 -1.734 -8.953 5.104 222 2HD1 LEU 29 3HD1 LEU 29 -0.128 -8.206 5.194 223 3HD1 LEU 29 2HD1 LEU 29 -0.254 -9.958 5.108 224 1HD2 LEU 29 2HD2 LEU 29 -2.357 -7.771 7.339 225 2HD2 LEU 29 1HD2 LEU 29 -1.123 -7.735 8.587 226 3HD2 LEU 29 3HD2 LEU 29 -0.820 -6.994 6.998 227 MD1 LEU 29 QD1 LEU 29 -0.706 -9.039 5.135 228 MD2 LEU 29 QD2 LEU 29 -1.433 -7.500 7.641 229 QB LEU 29 QB LEU 29 -2.011 -10.570 7.016 230 QD LEU 29 QQD LEU 29 -1.070 -8.269 6.388 231 H THR 30 H THR 30 -3.794 -9.500 9.352 232 HA THR 30 HA THR 30 -5.453 -11.886 9.303 233 HB THR 30 HB THR 30 -6.803 -10.527 10.894 234 HG1 THR 30 1HG THR 30 -4.394 -9.739 12.096 235 1HG2 THR 30 1HG2 THR 30 -4.441 -12.095 11.818 236 2HG2 THR 30 3HG2 THR 30 -5.856 -11.643 12.816 237 3HG2 THR 30 2HG2 THR 30 -6.089 -12.646 11.377 238 MG THR 30 QG2 THR 30 -5.462 -12.128 12.004 239 H LEU 31 H LEU 31 -7.593 -11.306 8.812 240 HA LEU 31 HA LEU 31 -8.018 -9.339 6.845 241 1HB LEU 31 2HB LEU 31 -9.425 -11.342 7.444 242 2HB LEU 31 1HB LEU 31 -9.766 -10.346 8.880 243 HG LEU 31 HG LEU 31 -10.946 -8.711 7.573 244 1HD1 LEU 31 2HD1 LEU 31 -9.687 -8.842 5.512 245 2HD1 LEU 31 1HD1 LEU 31 -10.392 -10.428 5.156 246 3HD1 LEU 31 3HD1 LEU 31 -11.412 -8.984 5.227 247 1HD2 LEU 31 1HD2 LEU 31 -11.899 -11.503 6.972 248 2HD2 LEU 31 3HD2 LEU 31 -12.210 -10.569 8.437 249 3HD2 LEU 31 2HD2 LEU 31 -12.883 -10.037 6.895 250 MD1 LEU 31 QD1 LEU 31 -10.497 -9.418 5.298 251 MD2 LEU 31 QD2 LEU 31 -12.331 -10.703 7.434 252 QB LEU 31 QB LEU 31 -9.596 -10.844 8.162 253 QD LEU 31 QQD LEU 31 -11.414 -10.060 6.366 254 H ARG 32 H ARG 32 -8.427 -9.328 10.408 255 HA ARG 32 HA ARG 32 -9.605 -6.765 10.171 256 1HB ARG 32 2HB ARG 32 -10.094 -8.054 12.211 257 2HB ARG 32 1HB ARG 32 -8.401 -7.945 12.692 258 1HG ARG 32 2HG ARG 32 -9.788 -6.295 13.909 259 2HG ARG 32 1HG ARG 32 -8.565 -5.526 12.890 260 1HD ARG 32 2HD ARG 32 -10.356 -5.245 11.121 261 2HD ARG 32 1HD ARG 32 -11.533 -5.759 12.326 262 HE ARG 32 HE ARG 32 -10.172 -3.738 13.515 263 1HH1 ARG 32 1HH1 ARG 32 -12.095 -4.037 10.558 264 2HH1 ARG 32 2HH1 ARG 32 -12.386 -2.376 10.375 265 1HH2 ARG 32 1HH2 ARG 32 -10.578 -1.452 13.307 266 2HH2 ARG 32 2HH2 ARG 32 -11.469 -0.813 12.011 267 QB ARG 32 QB ARG 32 -9.248 -8.000 12.451 268 QG ARG 32 QG ARG 32 -9.176 -5.911 13.400 269 QD ARG 32 QD ARG 32 -10.945 -5.502 11.723 270 QH1 ARG 32 QH1 ARG 32 -12.241 -3.206 10.467 271 QH2 ARG 32 QH2 ARG 32 -11.024 -1.133 12.659 272 H ASP 33 H ASP 33 -6.350 -7.879 10.412 273 HA ASP 33 HA ASP 33 -5.235 -5.364 10.980 274 1HB ASP 33 2HB ASP 33 -4.076 -7.728 10.923 275 2HB ASP 33 1HB ASP 33 -3.783 -7.319 9.236 276 QB ASP 33 QB ASP 33 -3.930 -7.524 10.079 277 H LEU 34 H LEU 34 -6.219 -6.953 7.871 278 HA LEU 34 HA LEU 34 -5.116 -4.798 6.243 279 1HB LEU 34 2HB LEU 34 -7.355 -6.716 5.580 280 2HB LEU 34 1HB LEU 34 -6.864 -5.445 4.500 281 HG LEU 34 HG LEU 34 -5.951 -7.457 3.702 282 1HD1 LEU 34 3HD1 LEU 34 -4.446 -5.554 3.551 283 2HD1 LEU 34 2HD1 LEU 34 -3.734 -5.991 5.103 284 3HD1 LEU 34 1HD1 LEU 34 -3.564 -7.070 3.725 285 1HD2 LEU 34 2HD2 LEU 34 -6.213 -8.613 5.808 286 2HD2 LEU 34 1HD2 LEU 34 -4.643 -8.976 5.013 287 3HD2 LEU 34 3HD2 LEU 34 -4.732 -7.838 6.373 288 MD1 LEU 34 QD1 LEU 34 -3.915 -6.205 4.127 289 MD2 LEU 34 QD2 LEU 34 -5.196 -8.476 5.731 290 QB LEU 34 QB LEU 34 -7.109 -6.080 5.040 291 QD LEU 34 QQD LEU 34 -4.555 -7.341 4.929 292 H LEU 35 H LEU 35 -8.144 -5.430 7.653 293 HA LEU 35 HA LEU 35 -9.414 -3.163 6.578 294 1HB LEU 35 2HB LEU 35 -10.132 -5.088 8.759 295 2HB LEU 35 1HB LEU 35 -11.132 -3.683 8.455 296 HG LEU 35 HG LEU 35 -11.900 -5.874 7.364 297 1HD1 LEU 35 3HD1 LEU 35 -11.366 -3.514 5.558 298 2HD1 LEU 35 2HD1 LEU 35 -12.556 -4.780 5.270 299 3HD1 LEU 35 1HD1 LEU 35 -12.744 -3.691 6.644 300 1HD2 LEU 35 2HD2 LEU 35 -9.536 -5.270 5.603 301 2HD2 LEU 35 1HD2 LEU 35 -9.692 -6.665 6.587 302 3HD2 LEU 35 3HD2 LEU 35 -10.783 -6.478 5.199 303 MD1 LEU 35 QD1 LEU 35 -12.222 -3.995 5.824 304 MD2 LEU 35 QD2 LEU 35 -10.004 -6.137 5.796 305 QB LEU 35 QB LEU 35 -10.632 -4.385 8.607 306 QD LEU 35 QQD LEU 35 -11.113 -5.066 5.810 307 H ASP 36 H ASP 36 -7.557 -3.696 9.346 308 HA ASP 36 HA ASP 36 -7.966 -1.114 10.595 309 1HB ASP 36 2HB ASP 36 -6.064 -3.337 11.001 310 2HB ASP 36 1HB ASP 36 -5.398 -1.753 11.347 311 QB ASP 36 QB ASP 36 -5.731 -2.545 11.174 312 H ILE 37 H ILE 37 -5.462 -2.459 8.523 313 HA ILE 37 HA ILE 37 -3.810 -0.312 8.077 314 HB ILE 37 HB ILE 37 -4.667 -2.565 6.259 315 1HG1 ILE 37 2HG1 ILE 37 -1.944 -2.074 7.410 316 2HG1 ILE 37 1HG1 ILE 37 -3.172 -2.857 8.378 317 1HG2 ILE 37 2HG2 ILE 37 -2.546 -0.510 5.641 318 2HG2 ILE 37 1HG2 ILE 37 -2.809 -2.002 4.735 319 3HG2 ILE 37 3HG2 ILE 37 -4.057 -0.755 4.771 320 1HD1 ILE 37 3HD1 ILE 37 -2.193 -3.822 5.695 321 2HD1 ILE 37 2HD1 ILE 37 -1.617 -4.432 7.247 322 3HD1 ILE 37 1HD1 ILE 37 -3.290 -4.690 6.760 323 MG ILE 37 QG2 ILE 37 -3.138 -1.089 5.049 324 MD ILE 37 QD1 ILE 37 -2.367 -4.314 6.567 325 QG ILE 37 QG1 ILE 37 -2.558 -2.465 7.894 326 H VAL 38 H VAL 38 -6.603 -1.210 6.093 327 HA VAL 38 HA VAL 38 -6.495 1.079 4.493 328 HB VAL 38 HB VAL 38 -7.752 -0.944 3.789 329 1HG1 VAL 38 1HG1 VAL 38 -8.691 -1.546 5.874 330 2HG1 VAL 38 3HG1 VAL 38 -9.830 -0.198 5.802 331 3HG1 VAL 38 2HG1 VAL 38 -9.911 -1.497 4.599 332 1HG2 VAL 38 3HG2 VAL 38 -9.440 1.554 3.862 333 2HG2 VAL 38 2HG2 VAL 38 -8.306 1.079 2.601 334 3HG2 VAL 38 1HG2 VAL 38 -9.770 0.146 2.852 335 MG1 VAL 38 QG1 VAL 38 -9.477 -1.080 5.425 336 MG2 VAL 38 QG2 VAL 38 -9.172 0.927 3.105 337 QG VAL 38 QQG VAL 38 -9.325 -0.077 4.265 338 H GLU 39 H GLU 39 -8.211 0.527 7.548 339 HA GLU 39 HA GLU 39 -9.806 2.802 7.575 340 1HB GLU 39 2HB GLU 39 -9.863 0.735 9.048 341 2HB GLU 39 1HB GLU 39 -8.557 1.460 9.958 342 1HG GLU 39 2HG GLU 39 -9.977 3.377 10.474 343 2HG GLU 39 1HG GLU 39 -11.256 2.608 9.517 344 QB GLU 39 QB GLU 39 -9.210 1.097 9.503 345 QG GLU 39 QG GLU 39 -10.616 2.993 9.996 346 H THR 40 H THR 40 -6.522 2.249 8.842 347 HA THR 40 HA THR 40 -6.194 4.865 9.940 348 HB THR 40 HB THR 40 -4.081 2.838 9.162 349 HG1 THR 40 1HG THR 40 -5.687 3.095 11.479 350 1HG2 THR 40 1HG2 THR 40 -3.202 5.061 9.744 351 2HG2 THR 40 3HG2 THR 40 -4.089 5.016 11.268 352 3HG2 THR 40 2HG2 THR 40 -2.778 3.871 10.972 353 MG THR 40 QG2 THR 40 -3.356 4.649 10.661 354 H SER 41 H SER 41 -5.546 3.412 6.813 355 HA SER 41 HA SER 41 -3.483 5.081 6.017 356 1HB SER 41 2HB SER 41 -4.096 2.857 5.008 357 2HB SER 41 1HB SER 41 -5.370 3.690 4.122 358 HG SER 41 HG SER 41 -3.917 4.328 2.752 359 QB SER 41 QB SER 41 -4.733 3.273 4.565 360 H GLN 42 H GLN 42 -7.001 5.433 5.082 361 HA GLN 42 HA GLN 42 -6.573 7.617 3.359 362 1HB GLN 42 2HB GLN 42 -9.070 7.349 5.049 363 2HB GLN 42 1HB GLN 42 -8.864 8.388 3.673 364 1HG GLN 42 2HG GLN 42 -10.140 6.645 2.858 365 2HG GLN 42 1HG GLN 42 -8.514 6.240 2.335 366 1HE2 GLN 42 1HE2 GLN 42 -9.545 5.856 5.689 367 2HE2 GLN 42 2HE2 GLN 42 -9.496 4.133 5.606 368 QB GLN 42 QB GLN 42 -8.967 7.868 4.361 369 QG GLN 42 QG GLN 42 -9.327 6.442 2.597 370 QE GLN 42 QE2 GLN 42 -9.521 4.995 5.648 371 H ALA 43 H ALA 43 -7.104 7.572 6.765 372 HA ALA 43 HA ALA 43 -7.586 10.270 7.183 373 1HB ALA 43 2HB ALA 43 -7.121 9.816 9.518 374 2HB ALA 43 3HB ALA 43 -6.252 8.335 9.073 375 3HB ALA 43 1HB ALA 43 -7.982 8.453 8.788 376 MB ALA 43 QB ALA 43 -7.118 8.868 9.126 377 H HIS 44 H HIS 44 -4.509 8.641 6.834 378 HA HIS 44 HA HIS 44 -3.217 11.193 7.432 379 1HB HIS 44 2HB HIS 44 -2.266 9.022 8.418 380 2HB HIS 44 1HB HIS 44 -1.943 8.653 6.714 381 HD1 HIS 44 1HD HIS 44 0.563 8.571 6.800 382 HD2 HIS 44 2HD HIS 44 -0.956 12.131 8.299 383 HE1 HIS 44 1HE HIS 44 2.556 10.096 7.085 384 HE2 HIS 44 2HE HIS 44 1.617 12.099 8.278 385 QB HIS 44 QB HIS 44 -2.104 8.837 7.566 386 H ASN 45 H ASN 45 -3.743 8.949 4.697 387 HA ASN 45 HA ASN 45 -1.900 10.426 3.107 388 1HB ASN 45 2HB ASN 45 -2.494 9.131 1.180 389 2HB ASN 45 1HB ASN 45 -2.510 8.020 2.534 390 1HD2 ASN 45 1HD2 ASN 45 -4.446 9.712 0.149 391 2HD2 ASN 45 2HD2 ASN 45 -5.870 8.754 0.401 392 QB ASN 45 QB ASN 45 -2.502 8.576 1.857 393 QD ASN 45 QD2 ASN 45 -5.158 9.233 0.275 394 H ALA 46 H ALA 46 -5.377 10.571 3.533 395 HA ALA 46 HA ALA 46 -5.926 12.425 1.490 396 1HB ALA 46 3HB ALA 46 -7.928 12.963 2.848 397 2HB ALA 46 1HB ALA 46 -7.254 11.992 4.153 398 3HB ALA 46 2HB ALA 46 -7.697 11.217 2.628 399 MB ALA 46 QB ALA 46 -7.627 12.057 3.209 400 H ARG 47 H ARG 47 -5.069 12.778 4.869 401 HA ARG 47 HA ARG 47 -5.173 15.580 4.972 402 1HB ARG 47 2HB ARG 47 -5.111 14.086 6.976 403 2HB ARG 47 1HB ARG 47 -3.455 13.717 6.457 404 1HG ARG 47 2HG ARG 47 -2.591 15.747 7.030 405 2HG ARG 47 1HG ARG 47 -4.167 16.534 7.063 406 1HD ARG 47 2HD ARG 47 -3.029 16.045 9.312 407 2HD ARG 47 1HD ARG 47 -4.718 15.604 9.127 408 HE ARG 47 HE ARG 47 -4.098 13.367 8.936 409 1HH1 ARG 47 1HH1 ARG 47 -1.267 15.372 9.705 410 2HH1 ARG 47 2HH1 ARG 47 -0.563 14.212 10.729 411 1HH2 ARG 47 1HH2 ARG 47 -3.063 11.752 10.363 412 2HH2 ARG 47 2HH2 ARG 47 -1.579 12.151 11.092 413 QB ARG 47 QB ARG 47 -4.283 13.902 6.717 414 QG ARG 47 QG ARG 47 -3.379 16.141 7.047 415 QD ARG 47 QD ARG 47 -3.873 15.824 9.220 416 QH1 ARG 47 QH1 ARG 47 -0.915 14.792 10.217 417 QH2 ARG 47 QH2 ARG 47 -2.321 11.951 10.727 418 H ALA 48 H ALA 48 -2.442 13.323 4.430 419 HA ALA 48 HA ALA 48 -0.835 15.570 4.179 420 1HB ALA 48 2HB ALA 48 0.112 13.594 5.141 421 2HB ALA 48 3HB ALA 48 1.031 14.146 3.735 422 3HB ALA 48 1HB ALA 48 -0.028 12.735 3.592 423 MB ALA 48 QB ALA 48 0.372 13.492 4.156 424 H GLN 49 H GLN 49 -2.982 14.363 2.068 425 HA GLN 49 HA GLN 49 -3.573 14.948 -0.051 426 1HB GLN 49 2HB GLN 49 -0.945 16.406 -0.057 427 2HB GLN 49 1HB GLN 49 -2.235 16.650 -1.268 428 1HG GLN 49 2HG GLN 49 -3.485 17.805 0.258 429 2HG GLN 49 1HG GLN 49 -2.766 16.811 1.551 430 1HE2 GLN 49 1HE2 GLN 49 -0.985 17.364 2.514 431 2HE2 GLN 49 2HE2 GLN 49 -0.117 18.824 2.332 432 QB GLN 49 QB GLN 49 -1.590 16.528 -0.663 433 QG GLN 49 QG GLN 49 -3.125 17.308 0.905 434 QE GLN 49 QE2 GLN 49 -0.551 18.094 2.423 435 H LEU 50 H LEU 50 -1.947 12.735 0.732 436 HA LEU 50 HA LEU 50 -0.425 11.897 -1.557 437 1HB LEU 50 2HB LEU 50 -1.056 10.869 1.144 438 2HB LEU 50 1HB LEU 50 -0.604 9.708 -0.092 439 HG LEU 50 HG LEU 50 1.501 10.707 -0.359 440 1HD1 LEU 50 3HD1 LEU 50 0.653 12.809 1.608 441 2HD1 LEU 50 2HD1 LEU 50 2.285 12.605 0.969 442 3HD1 LEU 50 1HD1 LEU 50 0.963 13.040 -0.111 443 1HD2 LEU 50 2HD2 LEU 50 1.214 9.148 1.513 444 2HD2 LEU 50 1HD2 LEU 50 2.506 10.336 1.787 445 3HD2 LEU 50 3HD2 LEU 50 0.944 10.520 2.578 446 MD1 LEU 50 QD1 LEU 50 1.301 12.818 0.822 447 MD2 LEU 50 QD2 LEU 50 1.555 10.001 1.959 448 QB LEU 50 QB LEU 50 -0.830 10.289 0.526 449 QD LEU 50 QQD LEU 50 1.428 11.410 1.391 450 H THR 51 H THR 51 -1.145 10.675 -3.159 451 HA THR 51 HA THR 51 -3.787 9.514 -2.947 452 HB THR 51 HB THR 51 -3.968 10.004 -5.401 453 HG1 THR 51 1HG THR 51 -1.993 10.308 -6.219 454 1HG2 THR 51 3HG2 THR 51 -4.751 11.461 -3.623 455 2HG2 THR 51 2HG2 THR 51 -3.195 12.326 -3.693 456 3HG2 THR 51 1HG2 THR 51 -4.294 12.372 -5.089 457 MG THR 51 QG2 THR 51 -4.080 12.053 -4.135 458 H GLY 52 H GLY 52 -3.964 7.442 -4.256 459 1HA GLY 52 1HA GLY 52 -2.177 5.792 -2.985 460 2HA GLY 52 2HA GLY 52 -1.530 6.024 -4.599 461 QA GLY 52 QA GLY 52 -1.854 5.908 -3.792 462 H ALA 53 H ALA 53 -1.846 3.685 -4.224 463 HA ALA 53 HA ALA 53 -4.378 2.536 -4.231 464 1HB ALA 53 3HB ALA 53 -4.531 3.345 -6.554 465 2HB ALA 53 1HB ALA 53 -4.466 1.583 -6.495 466 3HB ALA 53 2HB ALA 53 -3.031 2.514 -6.945 467 MB ALA 53 QB ALA 53 -4.009 2.481 -6.665 468 H LEU 54 H LEU 54 -4.253 0.268 -4.102 469 HA LEU 54 HA LEU 54 -1.589 -0.821 -4.351 470 1HB LEU 54 2HB LEU 54 -1.470 -1.758 -2.193 471 2HB LEU 54 1HB LEU 54 -1.961 -0.087 -2.005 472 HG LEU 54 HG LEU 54 -4.346 -1.034 -1.678 473 1HD1 LEU 54 1HD1 LEU 54 -2.730 -3.530 -1.161 474 2HD1 LEU 54 3HD1 LEU 54 -4.421 -3.318 -0.719 475 3HD1 LEU 54 2HD1 LEU 54 -3.951 -3.321 -2.417 476 1HD2 LEU 54 2HD2 LEU 54 -2.978 -0.007 0.075 477 2HD2 LEU 54 1HD2 LEU 54 -3.930 -1.360 0.702 478 3HD2 LEU 54 3HD2 LEU 54 -2.215 -1.564 0.379 479 MD1 LEU 54 QD1 LEU 54 -3.701 -3.390 -1.432 480 MD2 LEU 54 QD2 LEU 54 -3.041 -0.977 0.385 481 QB LEU 54 QB LEU 54 -1.716 -0.923 -2.099 482 QD LEU 54 QQD LEU 54 -3.371 -2.183 -0.523 483 H PHE 55 H PHE 55 -1.505 -2.859 -4.910 484 HA PHE 55 HA PHE 55 -4.058 -4.167 -5.429 485 1HB PHE 55 2HB PHE 55 -1.496 -4.281 -7.043 486 2HB PHE 55 1HB PHE 55 -2.918 -5.274 -7.343 487 HD1 PHE 55 1HD PHE 55 -4.965 -4.261 -8.229 488 HD2 PHE 55 2HD PHE 55 -1.422 -1.976 -7.676 489 HE1 PHE 55 1HE PHE 55 -5.888 -2.493 -9.663 490 HE2 PHE 55 2HE PHE 55 -2.341 -0.200 -9.112 491 HZ PHE 55 HZ PHE 55 -4.571 -0.458 -10.108 492 QB PHE 55 QB PHE 55 -2.207 -4.778 -7.193 493 QD PHE 55 QD PHE 55 -3.193 -3.119 -7.953 494 QE PHE 55 QE PHE 55 -4.114 -1.346 -9.388 495 QR PHE 55 QR PHE 55 -3.837 -1.878 -8.958 496 H TYR 56 H TYR 56 -4.236 -5.582 -3.910 497 HA TYR 56 HA TYR 56 -1.931 -7.164 -3.074 498 1HB TYR 56 2HB TYR 56 -3.329 -6.090 -1.315 499 2HB TYR 56 1HB TYR 56 -4.761 -6.887 -1.892 500 HD1 TYR 56 1HD TYR 56 -3.886 -9.732 -2.088 501 HD2 TYR 56 2HD TYR 56 -2.911 -6.772 0.808 502 HE1 TYR 56 1HE TYR 56 -3.496 -11.500 -0.422 503 HE2 TYR 56 2HE TYR 56 -2.496 -8.541 2.474 504 HH TYR 56 HH TYR 56 -2.297 -11.847 1.623 505 QB TYR 56 QB TYR 56 -4.045 -6.489 -1.604 506 QD TYR 56 QD TYR 56 -3.398 -8.252 -0.640 507 QE TYR 56 QE TYR 56 -2.996 -10.021 1.026 508 QR TYR 56 QR TYR 56 -3.197 -9.136 0.193 509 H SER 57 H SER 57 -1.735 -8.815 -4.513 510 HA SER 57 HA SER 57 -4.196 -10.023 -5.512 511 1HB SER 57 2HB SER 57 -2.705 -10.759 -7.445 512 2HB SER 57 1HB SER 57 -3.078 -9.039 -7.343 513 HG SER 57 HG SER 57 -0.749 -10.306 -6.389 514 QB SER 57 QB SER 57 -2.892 -9.899 -7.394 515 H GLN 58 H GLN 58 -4.571 -11.582 -4.122 516 HA GLN 58 HA GLN 58 -4.571 -13.590 -3.156 517 1HB GLN 58 2HB GLN 58 -3.812 -14.463 -5.356 518 2HB GLN 58 1HB GLN 58 -2.152 -14.224 -4.862 519 1HG GLN 58 2HG GLN 58 -2.745 -16.558 -4.651 520 2HG GLN 58 1HG GLN 58 -2.419 -15.870 -3.070 521 1HE2 GLN 58 1HE2 GLN 58 -5.467 -15.449 -4.873 522 2HE2 GLN 58 2HE2 GLN 58 -6.408 -16.344 -3.751 523 QB GLN 58 QB GLN 58 -2.982 -14.344 -5.109 524 QG GLN 58 QG GLN 58 -2.582 -16.214 -3.861 525 QE GLN 58 QE2 GLN 58 -5.937 -15.897 -4.312 526 H GLY 59 H GLY 59 -1.200 -12.611 -3.398 527 1HA GLY 59 1HA GLY 59 0.057 -13.711 -1.297 528 2HA GLY 59 2HA GLY 59 -1.017 -12.578 -0.491 529 QA GLY 59 QA GLY 59 -0.480 -13.145 -0.894 530 H VAL 60 H VAL 60 0.573 -12.007 -3.604 531 HA VAL 60 HA VAL 60 2.575 -10.454 -2.322 532 HB VAL 60 HB VAL 60 3.366 -9.785 -4.551 533 1HG1 VAL 60 3HG1 VAL 60 2.782 -12.705 -4.278 534 2HG1 VAL 60 2HG1 VAL 60 3.954 -12.015 -5.394 535 3HG1 VAL 60 1HG1 VAL 60 4.175 -11.839 -3.650 536 1HG2 VAL 60 2HG2 VAL 60 1.224 -9.623 -5.727 537 2HG2 VAL 60 1HG2 VAL 60 2.332 -10.690 -6.586 538 3HG2 VAL 60 3HG2 VAL 60 1.024 -11.371 -5.617 539 MG1 VAL 60 QG1 VAL 60 3.637 -12.186 -4.441 540 MG2 VAL 60 QG2 VAL 60 1.527 -10.562 -5.977 541 QG VAL 60 QQG VAL 60 2.582 -11.374 -5.209 542 H PHE 61 H PHE 61 2.671 -8.475 -1.857 543 HA PHE 61 HA PHE 61 0.381 -6.710 -2.254 544 1HB PHE 61 2HB PHE 61 2.556 -7.046 -0.422 545 2HB PHE 61 1HB PHE 61 2.481 -5.392 -0.998 546 HD1 PHE 61 1HD PHE 61 1.991 -7.018 1.706 547 HD2 PHE 61 2HD PHE 61 -0.463 -4.959 -1.095 548 HE1 PHE 61 1HE PHE 61 0.412 -6.513 3.488 549 HE2 PHE 61 2HE PHE 61 -2.066 -4.450 0.706 550 HZ PHE 61 HZ PHE 61 -1.592 -5.207 2.998 551 QB PHE 61 QB PHE 61 2.519 -6.219 -0.710 552 QD PHE 61 QD PHE 61 0.764 -5.989 0.306 553 QE PHE 61 QE PHE 61 -0.827 -5.482 2.097 554 QR PHE 61 QR PHE 61 -0.344 -5.629 1.561 555 H PHE 62 H PHE 62 0.460 -5.233 -3.944 556 HA PHE 62 HA PHE 62 3.050 -3.976 -4.338 557 1HB PHE 62 2HB PHE 62 2.421 -5.090 -6.466 558 2HB PHE 62 1HB PHE 62 0.873 -4.233 -6.449 559 HD1 PHE 62 1HD PHE 62 0.690 -2.099 -7.405 560 HD2 PHE 62 2HD PHE 62 4.546 -3.696 -6.563 561 HE1 PHE 62 1HE PHE 62 1.732 -0.187 -8.551 562 HE2 PHE 62 2HE PHE 62 5.591 -1.794 -7.714 563 HZ PHE 62 HZ PHE 62 4.183 -0.033 -8.707 564 QB PHE 62 QB PHE 62 1.647 -4.661 -6.458 565 QD PHE 62 QD PHE 62 2.618 -2.898 -6.984 566 QE PHE 62 QE PHE 62 3.662 -0.990 -8.132 567 QR PHE 62 QR PHE 62 3.348 -1.562 -7.788 568 H GLN 63 H GLN 63 3.037 -1.951 -3.632 569 HA GLN 63 HA GLN 63 0.443 -0.573 -3.362 570 1HB GLN 63 2HB GLN 63 1.360 -1.955 -1.329 571 2HB GLN 63 1HB GLN 63 2.500 -0.644 -1.191 572 1HG GLN 63 2HG GLN 63 -0.499 -0.474 -0.897 573 2HG GLN 63 1HG GLN 63 0.714 -0.475 0.342 574 1HE2 GLN 63 1HE2 GLN 63 2.510 1.441 -0.913 575 2HE2 GLN 63 2HE2 GLN 63 1.669 2.953 -0.859 576 QB GLN 63 QB GLN 63 1.930 -1.299 -1.260 577 QG GLN 63 QG GLN 63 0.108 -0.475 -0.277 578 QE GLN 63 QE2 GLN 63 2.090 2.197 -0.886 579 H TRP 64 H TRP 64 0.785 1.545 -4.131 580 HA TRP 64 HA TRP 64 3.356 2.605 -3.491 581 1HB TRP 64 2HB TRP 64 3.974 3.333 -5.602 582 2HB TRP 64 1HB TRP 64 3.330 1.708 -5.930 583 HD1 TRP 64 HD TRP 64 3.520 5.044 -7.165 584 HE1 TRP 64 1HE TRP 64 1.722 5.565 -8.849 585 HE3 TRP 64 3HE TRP 64 0.410 1.138 -6.192 586 HZ2 TRP 64 2HZ TRP 64 -0.755 4.481 -9.683 587 HZ3 TRP 64 3HZ TRP 64 -1.691 0.984 -7.447 588 HH2 TRP 64 HH TRP 64 -2.242 2.604 -9.178 589 QB TRP 64 QB TRP 64 3.652 2.520 -5.766 590 H LEU 65 H LEU 65 3.327 5.032 -3.769 591 HA LEU 65 HA LEU 65 0.662 6.155 -3.712 592 1HB LEU 65 2HB LEU 65 1.030 7.340 -1.622 593 2HB LEU 65 1HB LEU 65 1.006 5.611 -1.384 594 HG LEU 65 HG LEU 65 3.546 7.131 -1.636 595 1HD1 LEU 65 1HD1 LEU 65 1.924 6.557 0.856 596 2HD1 LEU 65 3HD1 LEU 65 3.582 7.164 0.868 597 3HD1 LEU 65 2HD1 LEU 65 2.298 8.148 0.172 598 1HD2 LEU 65 3HD2 LEU 65 3.746 4.700 -1.800 599 2HD2 LEU 65 2HD2 LEU 65 4.482 5.265 -0.301 600 3HD2 LEU 65 1HD2 LEU 65 2.885 4.513 -0.271 601 MD1 LEU 65 QD1 LEU 65 2.601 7.290 0.632 602 MD2 LEU 65 QD2 LEU 65 3.704 4.826 -0.791 603 QB LEU 65 QB LEU 65 1.018 6.475 -1.503 604 QD LEU 65 QQD LEU 65 3.153 6.058 -0.079 605 H GLU 66 H GLU 66 0.526 8.236 -4.178 606 HA GLU 66 HA GLU 66 2.883 9.599 -5.299 607 1HB GLU 66 2HB GLU 66 -0.048 10.361 -5.458 608 2HB GLU 66 1HB GLU 66 1.277 10.937 -6.432 609 1HG GLU 66 2HG GLU 66 1.301 8.891 -7.707 610 2HG GLU 66 1HG GLU 66 0.110 8.160 -6.618 611 QB GLU 66 QB GLU 66 0.615 10.649 -5.945 612 QG GLU 66 QG GLU 66 0.706 8.526 -7.163 613 H GLY 67 H GLY 67 3.654 11.186 -3.889 614 1HA GLY 67 1HA GLY 67 2.563 11.893 -1.469 615 2HA GLY 67 2HA GLY 67 1.779 12.924 -2.668 616 QA GLY 67 QA GLY 67 2.171 12.409 -2.068 617 H HIS 68 H HIS 68 3.053 14.479 -1.069 618 HA HIS 68 HA HIS 68 5.393 15.421 -2.427 619 1HB HIS 68 2HB HIS 68 4.061 17.074 -1.283 620 2HB HIS 68 1HB HIS 68 4.131 16.225 0.231 621 HD1 HIS 68 1HD HIS 68 6.166 16.581 1.722 622 HD2 HIS 68 2HD HIS 68 6.148 18.421 -1.902 623 HE1 HIS 68 1HE HIS 68 8.147 18.032 1.853 624 HE2 HIS 68 2HE HIS 68 7.903 19.512 -0.190 625 QB HIS 68 QB HIS 68 4.096 16.650 -0.526 626 HA PRO 69 HA PRO 69 8.431 12.453 -1.259 627 1HB PRO 69 2HB PRO 69 10.306 14.428 -0.340 628 2HB PRO 69 1HB PRO 69 10.340 13.484 -1.821 629 1HG PRO 69 2HG PRO 69 9.317 16.223 -1.385 630 2HG PRO 69 1HG PRO 69 9.874 15.457 -2.881 631 1HD PRO 69 2HD PRO 69 7.304 15.994 -2.464 632 2HD PRO 69 1HD PRO 69 7.785 14.498 -3.292 633 QB PRO 69 QB PRO 69 10.323 13.956 -1.080 634 QG PRO 69 QG PRO 69 9.596 15.840 -2.133 635 QD PRO 69 QD PRO 69 7.544 15.246 -2.878 636 H ALA 70 H ALA 70 8.473 15.048 1.200 637 HA ALA 70 HA ALA 70 9.346 13.200 3.138 638 1HB ALA 70 2HB ALA 70 9.931 15.511 3.405 639 2HB ALA 70 3HB ALA 70 8.961 14.934 4.780 640 3HB ALA 70 1HB ALA 70 8.198 15.922 3.533 641 MB ALA 70 QB ALA 70 9.030 15.455 3.906 642 H ALA 71 H ALA 71 6.250 14.054 2.205 643 HA ALA 71 HA ALA 71 4.928 13.117 4.520 644 1HB ALA 71 1HB ALA 71 4.136 13.194 1.693 645 2HB ALA 71 3HB ALA 71 2.986 12.991 3.015 646 3HB ALA 71 2HB ALA 71 3.890 14.535 2.833 647 MB ALA 71 QB ALA 71 3.670 13.573 2.514 648 H VAL 72 H VAL 72 5.906 11.885 1.442 649 HA VAL 72 HA VAL 72 4.839 9.263 1.553 650 HB VAL 72 HB VAL 72 7.434 9.775 0.166 651 1HG1 VAL 72 2HG1 VAL 72 6.351 7.676 -0.030 652 2HG1 VAL 72 1HG1 VAL 72 4.902 8.527 -0.630 653 3HG1 VAL 72 3HG1 VAL 72 6.386 8.540 -1.604 654 1HG2 VAL 72 1HG2 VAL 72 4.859 10.997 -0.776 655 2HG2 VAL 72 3HG2 VAL 72 6.351 11.817 -0.254 656 3HG2 VAL 72 2HG2 VAL 72 6.334 10.814 -1.730 657 MG1 VAL 72 QG1 VAL 72 5.880 8.248 -0.754 658 MG2 VAL 72 QG2 VAL 72 5.848 11.209 -0.920 659 QG VAL 72 QQG VAL 72 5.864 9.728 -0.837 660 H ALA 73 H ALA 73 7.882 10.748 2.459 661 HA ALA 73 HA ALA 73 9.120 8.373 3.251 662 1HB ALA 73 3HB ALA 73 9.747 11.137 4.113 663 2HB ALA 73 2HB ALA 73 10.759 9.645 4.237 664 3HB ALA 73 1HB ALA 73 10.359 10.319 2.641 665 MB ALA 73 QB ALA 73 10.288 10.367 3.664 666 H GLU 74 H GLU 74 7.272 10.737 5.059 667 HA GLU 74 HA GLU 74 7.648 9.728 7.721 668 1HB GLU 74 2HB GLU 74 6.323 11.799 6.761 669 2HB GLU 74 1HB GLU 74 4.969 10.691 6.695 670 1HG GLU 74 2HG GLU 74 6.499 11.516 9.157 671 2HG GLU 74 1HG GLU 74 4.938 12.153 8.675 672 QB GLU 74 QB GLU 74 5.646 11.245 6.728 673 QG GLU 74 QG GLU 74 5.719 11.835 8.916 674 H VAL 75 H VAL 75 5.378 9.014 5.208 675 HA VAL 75 HA VAL 75 4.165 6.786 6.306 676 HB VAL 75 HB VAL 75 4.645 7.674 3.448 677 1HG1 VAL 75 2HG1 VAL 75 2.986 5.328 4.351 678 2HG1 VAL 75 1HG1 VAL 75 3.018 6.044 2.726 679 3HG1 VAL 75 3HG1 VAL 75 4.469 5.291 3.376 680 1HG2 VAL 75 1HG2 VAL 75 3.133 9.035 4.752 681 2HG2 VAL 75 3HG2 VAL 75 2.255 8.162 3.500 682 3HG2 VAL 75 2HG2 VAL 75 2.180 7.611 5.174 683 MG1 VAL 75 QG1 VAL 75 3.491 5.554 3.484 684 MG2 VAL 75 QG2 VAL 75 2.523 8.270 4.475 685 QG VAL 75 QQG VAL 75 3.007 6.912 3.980 686 H MET 76 H MET 76 7.015 6.885 3.993 687 HA MET 76 HA MET 76 7.702 4.266 4.008 688 1HB MET 76 2HB MET 76 9.620 6.600 4.064 689 2HB MET 76 1HB MET 76 10.016 4.980 3.579 690 1HG MET 76 2HG MET 76 7.884 6.412 2.270 691 2HG MET 76 1HG MET 76 9.547 6.791 1.755 692 1HE MET 76 2HE MET 76 6.485 4.733 1.840 693 2HE MET 76 1HE MET 76 6.788 3.278 0.842 694 3HE MET 76 3HE MET 76 7.452 3.384 2.462 695 QB MET 76 QB MET 76 9.818 5.790 3.821 696 QG MET 76 QG MET 76 8.716 6.602 2.013 697 ME MET 76 QE MET 76 6.908 3.798 1.715 698 H SER 77 H SER 77 8.880 6.685 6.360 699 HA SER 77 HA SER 77 10.509 4.912 7.746 700 1HB SER 77 2HB SER 77 9.089 7.343 8.843 701 2HB SER 77 1HB SER 77 10.507 6.545 9.533 702 HG SER 77 HG SER 77 11.678 7.117 7.685 703 QB SER 77 QB SER 77 9.798 6.944 9.188 704 H HIS 78 H HIS 78 7.107 5.608 8.315 705 HA HIS 78 HA HIS 78 7.146 3.707 10.516 706 1HB HIS 78 2HB HIS 78 4.734 4.811 9.040 707 2HB HIS 78 1HB HIS 78 4.654 3.698 10.404 708 HD1 HIS 78 1HD HIS 78 4.102 4.892 12.517 709 HD2 HIS 78 2HD HIS 78 6.441 7.161 9.945 710 HE1 HIS 78 1HE HIS 78 4.399 7.111 13.643 711 HE2 HIS 78 2HE HIS 78 5.428 8.525 11.744 712 QB HIS 78 QB HIS 78 4.694 4.254 9.722 713 H ILE 79 H ILE 79 6.205 3.530 7.175 714 HA ILE 79 HA ILE 79 5.265 0.918 7.134 715 HB ILE 79 HB ILE 79 6.187 2.891 5.155 716 1HG1 ILE 79 2HG1 ILE 79 3.678 1.263 5.489 717 2HG1 ILE 79 1HG1 ILE 79 3.911 2.978 5.787 718 1HG2 ILE 79 3HG2 ILE 79 6.078 0.029 4.436 719 2HG2 ILE 79 2HG2 ILE 79 5.825 1.309 3.242 720 3HG2 ILE 79 1HG2 ILE 79 7.346 1.205 4.145 721 1HD1 ILE 79 1HD1 ILE 79 4.298 3.281 3.367 722 2HD1 ILE 79 3HD1 ILE 79 3.895 1.582 3.128 723 3HD1 ILE 79 2HD1 ILE 79 2.679 2.692 3.762 724 MG ILE 79 QG2 ILE 79 6.417 0.848 3.941 725 MD ILE 79 QD1 ILE 79 3.624 2.518 3.419 726 QG ILE 79 QG1 ILE 79 3.795 2.121 5.638 727 H GLN 80 H GLN 80 8.551 2.037 6.382 728 HA GLN 80 HA GLN 80 9.644 -0.509 6.050 729 1HB GLN 80 2HB GLN 80 10.920 2.166 6.602 730 2HB GLN 80 1HB GLN 80 11.784 0.727 6.053 731 1HG GLN 80 2HG GLN 80 9.592 2.160 4.443 732 2HG GLN 80 1HG GLN 80 11.265 2.171 4.121 733 1HE2 GLN 80 1HE2 GLN 80 8.618 0.100 4.246 734 2HE2 GLN 80 2HE2 GLN 80 9.417 -1.027 3.190 735 QB GLN 80 QB GLN 80 11.352 1.447 6.327 736 QG GLN 80 QG GLN 80 10.429 2.166 4.282 737 QE GLN 80 QE2 GLN 80 9.017 -0.463 3.718 738 H ARG 81 H ARG 81 8.580 0.907 8.848 739 HA ARG 81 HA ARG 81 10.335 -0.768 10.504 740 1HB ARG 81 2HB ARG 81 8.472 1.495 11.198 741 2HB ARG 81 1HB ARG 81 9.193 0.408 12.374 742 1HG ARG 81 2HG ARG 81 11.349 1.116 11.813 743 2HG ARG 81 1HG ARG 81 10.730 2.196 10.543 744 1HD ARG 81 2HD ARG 81 11.229 3.348 12.718 745 2HD ARG 81 1HD ARG 81 9.552 3.506 12.189 746 HE ARG 81 HE ARG 81 8.971 1.784 13.769 747 1HH1 ARG 81 1HH1 ARG 81 12.129 3.324 14.283 748 2HH1 ARG 81 2HH1 ARG 81 12.219 2.930 15.925 749 1HH2 ARG 81 1HH2 ARG 81 9.078 1.264 16.049 750 2HH2 ARG 81 2HH2 ARG 81 10.424 1.734 16.952 751 QB ARG 81 QB ARG 81 8.833 0.951 11.786 752 QG ARG 81 QG ARG 81 11.039 1.656 11.178 753 QD ARG 81 QD ARG 81 10.391 3.427 12.453 754 QH1 ARG 81 QH1 ARG 81 12.174 3.127 15.104 755 QH2 ARG 81 QH2 ARG 81 9.751 1.499 16.501 756 H ASP 82 H ASP 82 7.856 -1.444 8.768 757 HA ASP 82 HA ASP 82 5.841 -2.198 10.712 758 1HB ASP 82 2HB ASP 82 5.614 -1.438 8.190 759 2HB ASP 82 1HB ASP 82 5.838 -3.128 7.897 760 QB ASP 82 QB ASP 82 5.726 -2.283 8.043 761 H ARG 83 H ARG 83 5.101 -4.481 9.124 762 HA ARG 83 HA ARG 83 6.841 -6.703 9.514 763 1HB ARG 83 2HB ARG 83 5.525 -7.538 11.519 764 2HB ARG 83 1HB ARG 83 6.614 -6.189 11.830 765 1HG ARG 83 2HG ARG 83 4.639 -4.676 11.416 766 2HG ARG 83 1HG ARG 83 3.620 -6.102 11.556 767 1HD ARG 83 2HD ARG 83 3.682 -5.079 13.732 768 2HD ARG 83 1HD ARG 83 4.669 -6.535 13.802 769 HE ARG 83 HE ARG 83 6.635 -5.116 13.570 770 1HH1 ARG 83 1HH1 ARG 83 3.645 -3.517 14.597 771 2HH1 ARG 83 2HH1 ARG 83 4.431 -2.265 15.433 772 1HH2 ARG 83 1HH2 ARG 83 7.717 -3.359 14.735 773 2HH2 ARG 83 2HH2 ARG 83 6.755 -2.177 15.501 774 QB ARG 83 QB ARG 83 6.070 -6.864 11.674 775 QG ARG 83 QG ARG 83 4.130 -5.389 11.486 776 QD ARG 83 QD ARG 83 4.176 -5.807 13.767 777 QH1 ARG 83 QH1 ARG 83 4.038 -2.891 15.015 778 QH2 ARG 83 QH2 ARG 83 7.236 -2.768 15.118 779 H ARG 84 H ARG 84 3.508 -5.370 9.357 780 HA ARG 84 HA ARG 84 1.942 -7.620 8.860 781 1HB ARG 84 2HB ARG 84 1.548 -4.837 7.800 782 2HB ARG 84 1HB ARG 84 0.312 -6.028 8.136 783 1HG ARG 84 2HG ARG 84 0.664 -5.828 10.495 784 2HG ARG 84 1HG ARG 84 2.080 -4.797 10.247 785 1HD ARG 84 2HD ARG 84 0.487 -3.317 8.932 786 2HD ARG 84 1HD ARG 84 -0.786 -4.236 9.739 787 HE ARG 84 HE ARG 84 1.284 -2.968 11.352 788 1HH1 ARG 84 1HH1 ARG 84 -2.109 -3.332 10.584 789 2HH1 ARG 84 2HH1 ARG 84 -2.662 -1.969 11.457 790 1HH2 ARG 84 1HH2 ARG 84 0.618 -1.110 12.691 791 2HH2 ARG 84 2HH2 ARG 84 -1.021 -0.680 12.770 792 QB ARG 84 QB ARG 84 0.930 -5.432 7.968 793 QG ARG 84 QG ARG 84 1.372 -5.313 10.371 794 QD ARG 84 QD ARG 84 -0.149 -3.776 9.335 795 QH1 ARG 84 QH1 ARG 84 -2.386 -2.651 11.021 796 QH2 ARG 84 QH2 ARG 84 -0.202 -0.895 12.731 797 H HIS 85 H HIS 85 3.133 -5.268 6.699 798 HA HIS 85 HA HIS 85 2.818 -6.997 4.408 799 1HB HIS 85 2HB HIS 85 3.770 -5.040 3.035 800 2HB HIS 85 1HB HIS 85 2.171 -4.828 3.701 801 HD1 HIS 85 1HD HIS 85 3.219 -2.232 2.988 802 HD2 HIS 85 2HD HIS 85 4.461 -3.892 6.593 803 HE1 HIS 85 1HE HIS 85 4.146 -0.440 4.394 804 HE2 HIS 85 2HE HIS 85 4.091 -1.494 6.641 805 QB HIS 85 QB HIS 85 2.971 -4.934 3.368 806 H SER 86 H SER 86 4.112 -8.439 4.216 807 HA SER 86 HA SER 86 5.906 -9.331 5.712 808 1HB SER 86 2HB SER 86 4.940 -10.211 3.600 809 2HB SER 86 1HB SER 86 6.312 -9.568 2.802 810 HG SER 86 HG SER 86 7.457 -10.868 4.734 811 QB SER 86 QB SER 86 5.626 -9.889 3.201 812 H ASN 87 H ASN 87 7.296 -7.630 3.136 813 HA ASN 87 HA ASN 87 9.560 -7.147 4.941 814 1HB ASN 87 2HB ASN 87 9.981 -7.299 1.961 815 2HB ASN 87 1HB ASN 87 11.218 -7.283 3.192 816 1HD2 ASN 87 1HD2 ASN 87 10.798 -9.048 0.991 817 2HD2 ASN 87 2HD2 ASN 87 10.639 -10.632 1.657 818 QB ASN 87 QB ASN 87 10.600 -7.291 2.577 819 QD ASN 87 QD2 ASN 87 10.719 -9.840 1.324 820 H VAL 88 H VAL 88 7.390 -5.784 3.135 821 HA VAL 88 HA VAL 88 7.441 -4.251 1.539 822 HB VAL 88 HB VAL 88 6.155 -3.483 3.229 823 1HG1 VAL 88 2HG1 VAL 88 7.560 -3.529 5.076 824 2HG1 VAL 88 1HG1 VAL 88 8.434 -2.049 4.514 825 3HG1 VAL 88 3HG1 VAL 88 6.685 -1.964 4.841 826 1HG2 VAL 88 3HG2 VAL 88 6.579 -1.961 1.346 827 2HG2 VAL 88 2HG2 VAL 88 6.055 -1.124 2.808 828 3HG2 VAL 88 1HG2 VAL 88 7.750 -1.105 2.341 829 MG1 VAL 88 QG1 VAL 88 7.560 -2.514 4.810 830 MG2 VAL 88 QG2 VAL 88 6.795 -1.397 2.165 831 QG VAL 88 QQG VAL 88 7.177 -1.955 3.488 832 H GLU 89 H GLU 89 8.924 -4.547 0.232 833 HA GLU 89 HA GLU 89 11.302 -2.872 0.517 834 1HB GLU 89 2HB GLU 89 10.692 -5.035 -1.483 835 2HB GLU 89 1HB GLU 89 12.232 -4.204 -1.294 836 1HG GLU 89 2HG GLU 89 12.624 -5.148 0.805 837 2HG GLU 89 1HG GLU 89 10.905 -5.594 0.846 838 QB GLU 89 QB GLU 89 11.462 -4.619 -1.388 839 QG GLU 89 QG GLU 89 11.765 -5.371 0.826 840 H ILE 90 H ILE 90 10.405 -0.988 0.083 841 HA ILE 90 HA ILE 90 8.950 0.018 -2.035 842 HB ILE 90 HB ILE 90 11.515 1.362 -1.318 843 1HG1 ILE 90 2HG1 ILE 90 10.831 0.576 0.838 844 2HG1 ILE 90 1HG1 ILE 90 10.504 2.296 0.743 845 1HG2 ILE 90 3HG2 ILE 90 8.685 2.373 -1.605 846 2HG2 ILE 90 2HG2 ILE 90 10.038 3.381 -1.222 847 3HG2 ILE 90 1HG2 ILE 90 9.961 2.586 -2.817 848 1HD1 ILE 90 1HD1 ILE 90 8.178 1.827 0.270 849 2HD1 ILE 90 3HD1 ILE 90 8.508 0.101 0.409 850 3HD1 ILE 90 2HD1 ILE 90 8.693 1.150 1.826 851 MG ILE 90 QG2 ILE 90 9.561 2.780 -1.881 852 MD ILE 90 QD1 ILE 90 8.459 1.026 0.835 853 QG ILE 90 QG1 ILE 90 10.667 1.436 0.790 854 H LEU 91 H LEU 91 12.290 0.138 -2.219 855 HA LEU 91 HA LEU 91 13.795 -0.455 -3.729 856 1HB LEU 91 2HB LEU 91 11.587 -2.037 -5.030 857 2HB LEU 91 1HB LEU 91 13.271 -2.115 -5.504 858 HG LEU 91 HG LEU 91 12.157 -3.022 -2.803 859 1HD1 LEU 91 3HD1 LEU 91 11.548 -4.463 -4.661 860 2HD1 LEU 91 2HD1 LEU 91 13.237 -4.559 -5.145 861 3HD1 LEU 91 1HD1 LEU 91 12.724 -5.231 -3.595 862 1HD2 LEU 91 2HD2 LEU 91 14.945 -3.167 -3.947 863 2HD2 LEU 91 1HD2 LEU 91 14.433 -2.115 -2.632 864 3HD2 LEU 91 3HD2 LEU 91 14.398 -3.864 -2.423 865 MD1 LEU 91 QD1 LEU 91 12.503 -4.751 -4.467 866 MD2 LEU 91 QD2 LEU 91 14.592 -3.049 -3.001 867 QB LEU 91 QB LEU 91 12.429 -2.076 -5.267 868 QD LEU 91 QQD LEU 91 13.547 -3.900 -3.734 869 H ALA 92 H ALA 92 10.790 0.942 -4.790 870 HA ALA 92 HA ALA 92 12.293 2.359 -6.887 871 1HB ALA 92 1HB ALA 92 10.817 0.831 -8.014 872 2HB ALA 92 2HB ALA 92 10.149 2.483 -8.162 873 3HB ALA 92 3HB ALA 92 9.480 1.348 -6.993 874 MB ALA 92 QB ALA 92 10.149 1.554 -7.723 875 H GLU 93 H GLU 93 12.500 4.368 -6.256 876 HA GLU 93 HA GLU 93 10.168 5.756 -5.155 877 1HB GLU 93 2HB GLU 93 13.072 6.278 -4.366 878 2HB GLU 93 1HB GLU 93 11.616 7.023 -3.717 879 1HG GLU 93 2HG GLU 93 10.921 5.143 -2.673 880 2HG GLU 93 1HG GLU 93 12.144 4.128 -3.451 881 QB GLU 93 QB GLU 93 12.344 6.650 -4.041 882 QG GLU 93 QG GLU 93 11.532 4.636 -3.062 883 H GLU 94 H GLU 94 9.575 7.093 -6.729 884 HA GLU 94 HA GLU 94 11.680 8.375 -8.334 885 1HB GLU 94 2HB GLU 94 10.105 8.263 -10.265 886 2HB GLU 94 1HB GLU 94 10.672 6.690 -9.718 887 1HG GLU 94 2HG GLU 94 8.602 6.322 -8.538 888 2HG GLU 94 1HG GLU 94 8.004 7.914 -9.032 889 QB GLU 94 QB GLU 94 10.389 7.477 -9.991 890 QG GLU 94 QG GLU 94 8.303 7.118 -8.785 891 H SER 95 H SER 95 11.324 10.521 -8.930 892 HA SER 95 HA SER 95 9.427 11.954 -7.297 893 1HB SER 95 2HB SER 95 11.383 12.989 -9.360 894 2HB SER 95 1HB SER 95 10.518 13.936 -8.145 895 HG SER 95 HG SER 95 12.821 12.629 -7.957 896 QB SER 95 QB SER 95 10.951 13.462 -8.753 897 H ILE 96 H ILE 96 7.507 12.554 -7.947 898 HA ILE 96 HA ILE 96 6.809 12.349 -10.842 899 HB ILE 96 HB ILE 96 4.612 11.822 -10.224 900 1HG1 ILE 96 2HG1 ILE 96 5.606 11.196 -7.463 901 2HG1 ILE 96 1HG1 ILE 96 4.926 12.764 -7.832 902 1HG2 ILE 96 3HG2 ILE 96 6.192 10.090 -10.866 903 2HG2 ILE 96 2HG2 ILE 96 6.724 9.923 -9.193 904 3HG2 ILE 96 1HG2 ILE 96 5.089 9.439 -9.644 905 1HD1 ILE 96 1HD1 ILE 96 3.485 10.165 -8.176 906 2HD1 ILE 96 3HD1 ILE 96 3.422 11.221 -6.762 907 3HD1 ILE 96 2HD1 ILE 96 2.854 11.837 -8.291 908 MG ILE 96 QG2 ILE 96 6.002 9.817 -9.901 909 MD ILE 96 QD1 ILE 96 3.254 11.074 -7.743 910 QG ILE 96 QG1 ILE 96 5.266 11.980 -7.647 911 H ALA 97 H ALA 97 4.773 13.375 -11.444 912 HA ALA 97 HA ALA 97 4.536 15.994 -10.191 913 1HB ALA 97 2HB ALA 97 4.987 16.019 -12.583 914 2HB ALA 97 3HB ALA 97 3.366 16.688 -12.164 915 3HB ALA 97 1HB ALA 97 3.495 15.049 -12.787 916 MB ALA 97 QB ALA 97 3.949 15.919 -12.511 917 H LYS 98 H LYS 98 3.357 13.266 -10.075 918 HA LYS 98 HA LYS 98 1.465 12.158 -9.421 919 1HB LYS 98 2HB LYS 98 2.247 13.805 -7.769 920 2HB LYS 98 1HB LYS 98 0.916 14.797 -8.278 921 1HG LYS 98 2HG LYS 98 0.146 12.105 -7.654 922 2HG LYS 98 1HG LYS 98 1.094 12.913 -6.427 923 1HD LYS 98 2HD LYS 98 -0.815 14.717 -7.315 924 2HD LYS 98 1HD LYS 98 -1.626 13.218 -6.751 925 1HE LYS 98 2HE LYS 98 -0.093 13.260 -4.929 926 2HE LYS 98 1HE LYS 98 0.414 14.884 -5.451 927 1HZ LYS 98 1HZ LYS 98 -2.406 14.188 -4.778 928 2HZ LYS 98 3HZ LYS 98 -1.401 14.866 -3.631 929 3HZ LYS 98 2HZ LYS 98 -1.829 15.730 -5.044 930 QB LYS 98 QB LYS 98 1.582 14.301 -8.024 931 QD LYS 98 QD LYS 98 -1.221 13.968 -7.033 932 QG LYS 98 QG LYS 98 0.620 12.509 -7.040 933 QE LYS 98 QE LYS 98 0.161 14.072 -5.190 934 QZ LYS 98 QZ LYS 98 -1.879 14.928 -4.484 935 H ARG 99 H ARG 99 -1.003 12.886 -8.994 936 HA ARG 99 HA ARG 99 -3.003 13.618 -9.733 937 1HB ARG 99 2HB ARG 99 -1.807 15.619 -10.790 938 2HB ARG 99 1HB ARG 99 -1.637 14.686 -12.242 939 1HG ARG 99 2HG ARG 99 -3.484 16.187 -12.514 940 2HG ARG 99 1HG ARG 99 -4.126 14.549 -12.393 941 1HD ARG 99 2HD ARG 99 -4.637 14.929 -10.021 942 2HD ARG 99 1HD ARG 99 -4.008 16.572 -10.154 943 HE ARG 99 HE ARG 99 -6.132 15.876 -11.975 944 1HH1 ARG 99 1HH1 ARG 99 -5.239 17.514 -8.947 945 2HH1 ARG 99 2HH1 ARG 99 -6.756 18.270 -8.783 946 1HH2 ARG 99 1HH2 ARG 99 -8.205 16.972 -11.707 947 2HH2 ARG 99 2HH2 ARG 99 -8.447 17.968 -10.342 948 QB ARG 99 QB ARG 99 -1.722 15.153 -11.516 949 QG ARG 99 QG ARG 99 -3.805 15.368 -12.453 950 QD ARG 99 QD ARG 99 -4.322 15.750 -10.088 951 QH1 ARG 99 QH1 ARG 99 -5.997 17.892 -8.865 952 QH2 ARG 99 QH2 ARG 99 -8.326 17.470 -11.025 953 H ARG 100 H ARG 100 -1.843 11.058 -10.012 954 HA ARG 100 HA ARG 100 -3.075 10.188 -12.489 955 1HB ARG 100 2HB ARG 100 -1.341 8.670 -10.578 956 2HB ARG 100 1HB ARG 100 -1.920 8.102 -12.144 957 1HG ARG 100 2HG ARG 100 -0.738 9.960 -13.210 958 2HG ARG 100 1HG ARG 100 -0.108 10.422 -11.624 959 1HD ARG 100 2HD ARG 100 1.533 9.080 -12.866 960 2HD ARG 100 1HD ARG 100 0.951 8.175 -11.463 961 HE ARG 100 HE ARG 100 -0.708 7.311 -13.341 962 1HH1 ARG 100 1HH1 ARG 100 2.786 7.698 -13.522 963 2HH1 ARG 100 2HH1 ARG 100 3.011 6.428 -14.629 964 1HH2 ARG 100 1HH2 ARG 100 -0.426 5.609 -14.835 965 2HH2 ARG 100 2HH2 ARG 100 1.131 5.208 -15.410 966 QB ARG 100 QB ARG 100 -1.630 8.386 -11.361 967 QG ARG 100 QG ARG 100 -0.423 10.191 -12.417 968 QD ARG 100 QD ARG 100 1.242 8.628 -12.164 969 QH1 ARG 100 QH1 ARG 100 2.898 7.063 -14.075 970 QH2 ARG 100 QH2 ARG 100 0.353 5.409 -15.122 971 H PHE 101 H PHE 101 -3.197 9.376 -8.958 972 HA PHE 101 HA PHE 101 -5.678 8.071 -9.704 973 1HB PHE 101 2HB PHE 101 -3.730 7.351 -7.570 974 2HB PHE 101 1HB PHE 101 -5.415 6.860 -7.400 975 HD1 PHE 101 1HD PHE 101 -6.041 4.835 -8.269 976 HD2 PHE 101 2HD PHE 101 -2.677 6.812 -9.953 977 HE1 PHE 101 1HE PHE 101 -5.668 2.921 -9.767 978 HE2 PHE 101 2HE PHE 101 -2.298 4.904 -11.454 979 HZ PHE 101 HZ PHE 101 -3.795 2.953 -11.363 980 QB PHE 101 QB PHE 101 -4.572 7.106 -7.485 981 QD PHE 101 QD PHE 101 -4.359 5.824 -9.111 982 QE PHE 101 QE PHE 101 -3.983 3.912 -10.610 983 QR PHE 101 QR PHE 101 -4.096 4.485 -10.161 984 H ALA 102 H ALA 102 -4.647 10.589 -8.128 985 HA ALA 102 HA ALA 102 -5.598 12.326 -6.927 986 1HB ALA 102 2HB ALA 102 -7.124 12.334 -8.870 987 2HB ALA 102 3HB ALA 102 -7.880 12.959 -7.408 988 3HB ALA 102 1HB ALA 102 -8.250 11.326 -7.960 989 MB ALA 102 QB ALA 102 -7.752 12.206 -8.079 990 H GLY 103 H GLY 103 -6.585 9.273 -6.022 991 1HA GLY 103 1HA GLY 103 -8.063 9.244 -3.828 992 2HA GLY 103 2HA GLY 103 -6.641 10.121 -3.246 993 QA GLY 103 QA GLY 103 -7.352 9.682 -3.537 994 H TRP 104 H TRP 104 -6.417 8.100 -1.838 995 HA TRP 104 HA TRP 104 -4.873 6.126 -3.286 996 1HB TRP 104 2HB TRP 104 -3.749 6.852 -1.312 997 2HB TRP 104 1HB TRP 104 -5.200 6.737 -0.355 998 HD1 TRP 104 HD TRP 104 -2.228 4.631 -1.518 999 HE1 TRP 104 1HE TRP 104 -2.292 2.424 -0.274 1000 HE3 TRP 104 3HE TRP 104 -6.838 5.078 0.686 1001 HZ2 TRP 104 2HZ TRP 104 -4.140 1.047 1.467 1002 HZ3 TRP 104 3HZ TRP 104 -7.622 3.465 1.999 1003 HH2 TRP 104 HH TRP 104 -6.412 1.465 2.456 1004 QB TRP 104 QB TRP 104 -4.474 6.794 -0.833 1005 H HIS 105 H HIS 105 -5.336 3.982 -3.515 1006 HA HIS 105 HA HIS 105 -8.176 3.352 -3.058 1007 1HB HIS 105 2HB HIS 105 -6.351 2.898 -5.384 1008 2HB HIS 105 1HB HIS 105 -7.920 2.092 -5.237 1009 HD1 HIS 105 1HD HIS 105 -6.331 5.468 -5.857 1010 HD2 HIS 105 2HD HIS 105 -10.067 3.670 -5.941 1011 HE1 HIS 105 1HE HIS 105 -7.837 7.087 -7.044 1012 HE2 HIS 105 2HE HIS 105 -10.117 6.035 -6.947 1013 QB HIS 105 QB HIS 105 -7.136 2.495 -5.310 1014 H MET 106 H MET 106 -8.565 1.234 -2.334 1015 HA MET 106 HA MET 106 -6.195 -0.461 -2.223 1016 1HB MET 106 2HB MET 106 -6.811 0.281 0.064 1017 2HB MET 106 1HB MET 106 -8.409 -0.430 -0.149 1018 1HG MET 106 2HG MET 106 -7.491 -2.627 -0.314 1019 2HG MET 106 1HG MET 106 -5.855 -1.989 -0.360 1020 1HE MET 106 2HE MET 106 -6.582 -4.363 1.444 1021 2HE MET 106 1HE MET 106 -4.991 -3.643 1.504 1022 3HE MET 106 3HE MET 106 -5.886 -3.914 3.005 1023 QB MET 106 QB MET 106 -7.610 -0.074 -0.043 1024 QG MET 106 QG MET 106 -6.673 -2.308 -0.337 1025 ME MET 106 QE MET 106 -5.820 -3.973 1.985 1026 H GLN 107 H GLN 107 -6.322 -2.181 -3.397 1027 HA GLN 107 HA GLN 107 -8.684 -2.831 -4.831 1028 1HB GLN 107 2HB GLN 107 -6.282 -3.102 -5.601 1029 2HB GLN 107 1HB GLN 107 -6.207 -4.518 -4.572 1030 1HG GLN 107 2HG GLN 107 -6.604 -5.188 -6.845 1031 2HG GLN 107 1HG GLN 107 -8.023 -5.541 -5.859 1032 1HE2 GLN 107 1HE2 GLN 107 -7.263 -2.288 -6.952 1033 2HE2 GLN 107 2HE2 GLN 107 -8.562 -2.164 -8.053 1034 QB GLN 107 QB GLN 107 -6.244 -3.810 -5.086 1035 QG GLN 107 QG GLN 107 -7.313 -5.365 -6.352 1036 QE GLN 107 QE2 GLN 107 -7.912 -2.226 -7.503 1037 H LEU 108 H LEU 108 -7.219 -4.103 -1.934 1038 HA LEU 108 HA LEU 108 -9.126 -6.309 -1.974 1039 1HB LEU 108 2HB LEU 108 -6.794 -6.941 -1.620 1040 2HB LEU 108 1HB LEU 108 -6.713 -5.921 -0.194 1041 HG LEU 108 HG LEU 108 -8.554 -7.382 0.776 1042 1HD1 LEU 108 2HD1 LEU 108 -7.773 -9.172 -1.507 1043 2HD1 LEU 108 1HD1 LEU 108 -8.759 -9.639 -0.122 1044 3HD1 LEU 108 3HD1 LEU 108 -9.347 -8.415 -1.246 1045 1HD2 LEU 108 2HD2 LEU 108 -5.873 -8.635 0.200 1046 2HD2 LEU 108 1HD2 LEU 108 -6.248 -7.536 1.522 1047 3HD2 LEU 108 3HD2 LEU 108 -6.989 -9.136 1.474 1048 MD1 LEU 108 QD1 LEU 108 -8.626 -9.075 -0.958 1049 MD2 LEU 108 QD2 LEU 108 -6.370 -8.436 1.065 1050 QB LEU 108 QB LEU 108 -6.753 -6.431 -0.907 1051 QD LEU 108 QQD LEU 108 -7.498 -8.755 0.054 1052 H SER 109 H SER 109 -10.893 -4.987 -1.443 1053 HA SER 109 HA SER 109 -10.892 -4.104 1.349 1054 1HB SER 109 2HB SER 109 -11.676 -2.453 -0.366 1055 2HB SER 109 1HB SER 109 -12.935 -3.587 -0.847 1056 HG SER 109 HG SER 109 -13.170 -3.367 1.719 1057 QB SER 109 QB SER 109 -12.305 -3.020 -0.607 1058 H CYS 110 H CYS 110 -11.529 -6.630 -0.607 1059 HA CYS 110 HA CYS 110 -12.769 -8.275 1.290 1060 1HB CYS 110 2HB CYS 110 -14.760 -6.922 0.501 1061 2HB CYS 110 1HB CYS 110 -14.408 -7.441 -1.136 1062 HG CYS 110 HG CYS 110 -16.480 -8.960 -0.586 1063 QB CYS 110 QB CYS 110 -14.584 -7.181 -0.317 1064 H SER 111 H SER 111 -12.283 -10.426 0.572 1065 HA SER 111 HA SER 111 -10.506 -10.824 -1.555 1066 1HB SER 111 2HB SER 111 -12.423 -12.873 -0.392 1067 2HB SER 111 1HB SER 111 -10.813 -13.159 -1.060 1068 HG SER 111 HG SER 111 -10.222 -13.015 0.930 1069 QB SER 111 QB SER 111 -11.618 -13.016 -0.726 1070 H GLU 112 H GLU 112 -13.853 -11.669 -1.135 1071 HA GLU 112 HA GLU 112 -15.016 -10.538 -3.215 1072 1HB GLU 112 2HB GLU 112 -15.660 -12.649 -4.628 1073 2HB GLU 112 1HB GLU 112 -14.126 -11.885 -4.956 1074 1HG GLU 112 2HG GLU 112 -13.947 -14.310 -5.042 1075 2HG GLU 112 1HG GLU 112 -12.981 -13.661 -3.726 1076 QB GLU 112 QB GLU 112 -14.893 -12.267 -4.792 1077 QG GLU 112 QG GLU 112 -13.464 -13.986 -4.384 1078 H ALA 113 H ALA 113 -14.957 -13.478 -1.294 1079 HA ALA 113 HA ALA 113 -16.294 -14.311 0.295 1080 1HB ALA 113 3HB ALA 113 -15.766 -12.154 1.333 1081 2HB ALA 113 1HB ALA 113 -17.359 -12.746 1.800 1082 3HB ALA 113 2HB ALA 113 -17.210 -11.459 0.600 1083 MB ALA 113 QB ALA 113 -16.778 -12.120 1.244 1084 H ASP 114 H ASP 114 -17.303 -14.255 -2.390 1085 HA ASP 114 HA ASP 114 -20.201 -14.411 -1.834 1086 1HB ASP 114 2HB ASP 114 -19.724 -12.298 -2.997 1087 2HB ASP 114 1HB ASP 114 -18.939 -13.187 -4.295 1088 QB ASP 114 QB ASP 114 -19.331 -12.742 -3.646 1089 H MET 115 H MET 115 -17.494 -15.300 -3.845 1090 HA MET 115 HA MET 115 -18.972 -17.519 -5.026 1091 1HB MET 115 2HB MET 115 -17.643 -15.968 -6.458 1092 2HB MET 115 1HB MET 115 -16.201 -16.436 -5.573 1093 1HG MET 115 2HG MET 115 -16.471 -18.730 -6.374 1094 2HG MET 115 1HG MET 115 -17.901 -18.240 -7.275 1095 1HE MET 115 2HE MET 115 -17.882 -16.567 -9.302 1096 2HE MET 115 1HE MET 115 -17.036 -15.333 -8.370 1097 3HE MET 115 3HE MET 115 -16.433 -15.809 -9.960 1098 QB MET 115 QB MET 115 -16.922 -16.202 -6.016 1099 QG MET 115 QG MET 115 -17.186 -18.485 -6.825 1100 ME MET 115 QE MET 115 -17.117 -15.903 -9.211 1101 H ARG 116 H ARG 116 -16.208 -16.646 -3.065 1102 HA ARG 116 HA ARG 116 -15.003 -17.643 -1.496 1103 1HB ARG 116 2HB ARG 116 -17.345 -19.481 -1.478 1104 2HB ARG 116 1HB ARG 116 -15.893 -19.947 -0.604 1105 1HG ARG 116 2HG ARG 116 -17.397 -18.910 0.927 1106 2HG ARG 116 1HG ARG 116 -16.043 -17.830 0.658 1107 1HD ARG 116 2HD ARG 116 -18.007 -16.517 0.700 1108 2HD ARG 116 1HD ARG 116 -17.460 -16.592 -0.967 1109 HE ARG 116 HE ARG 116 -19.217 -18.324 -1.292 1110 1HH1 ARG 116 1HH1 ARG 116 -19.556 -16.065 1.426 1111 2HH1 ARG 116 2HH1 ARG 116 -21.245 -16.021 1.347 1112 1HH2 ARG 116 1HH2 ARG 116 -21.553 -18.243 -1.382 1113 2HH2 ARG 116 2HH2 ARG 116 -22.397 -17.271 -0.268 1114 QB ARG 116 QB ARG 116 -16.619 -19.714 -1.041 1115 QG ARG 116 QG ARG 116 -16.720 -18.370 0.792 1116 QD ARG 116 QD ARG 116 -17.734 -16.554 -0.134 1117 QH1 ARG 116 QH1 ARG 116 -20.401 -16.043 1.386 1118 QH2 ARG 116 QH2 ARG 116 -21.975 -17.757 -0.825 1119 H SER 117 H SER 117 -15.197 -18.815 -4.470 1120 HA SER 117 HA SER 117 -13.838 -21.288 -4.306 1121 1HB SER 117 2HB SER 117 -14.157 -19.437 -6.666 1122 2HB SER 117 1HB SER 117 -13.683 -21.135 -6.733 1123 HG SER 117 HG SER 117 -15.711 -21.587 -5.671 1124 QB SER 117 QB SER 117 -13.920 -20.286 -6.700 1125 H LEU 118 H LEU 118 -12.634 -18.239 -3.728 1126 HA LEU 118 HA LEU 118 -10.026 -18.581 -4.884 1127 1HB LEU 118 2HB LEU 118 -10.860 -16.841 -2.558 1128 2HB LEU 118 1HB LEU 118 -9.304 -16.784 -3.348 1129 HG LEU 118 HG LEU 118 -11.963 -15.950 -4.500 1130 1HD1 LEU 118 2HD1 LEU 118 -10.967 -14.372 -2.942 1131 2HD1 LEU 118 1HD1 LEU 118 -9.458 -14.411 -3.849 1132 3HD1 LEU 118 3HD1 LEU 118 -10.914 -13.749 -4.591 1133 1HD2 LEU 118 2HD2 LEU 118 -9.250 -16.025 -5.823 1134 2HD2 LEU 118 1HD2 LEU 118 -10.641 -17.019 -6.250 1135 3HD2 LEU 118 3HD2 LEU 118 -10.696 -15.275 -6.501 1136 MD1 LEU 118 QD1 LEU 118 -10.446 -14.177 -3.794 1137 MD2 LEU 118 QD2 LEU 118 -10.196 -16.107 -6.191 1138 QB LEU 118 QB LEU 118 -10.082 -16.812 -2.953 1139 QD LEU 118 QQD LEU 118 -10.321 -15.142 -4.993 1140 H GLY 119 H GLY 119 -11.656 -19.793 -2.194 1141 1HA GLY 119 1HA GLY 119 -9.125 -20.704 -1.012 1142 2HA GLY 119 2HA GLY 119 -10.461 -21.812 -1.289 1143 QA GLY 119 QA GLY 119 -9.793 -21.258 -1.151 1144 H LEU 120 H LEU 120 -12.523 -20.002 -0.498 1145 HA LEU 120 HA LEU 120 -11.836 -19.682 2.337 1146 1HB LEU 120 2HB LEU 120 -12.772 -17.673 1.011 1147 2HB LEU 120 1HB LEU 120 -14.249 -18.634 0.947 1148 HG LEU 120 HG LEU 120 -14.543 -18.515 3.339 1149 1HD1 LEU 120 2HD1 LEU 120 -11.945 -16.979 3.387 1150 2HD1 LEU 120 1HD1 LEU 120 -13.041 -17.180 4.754 1151 3HD1 LEU 120 3HD1 LEU 120 -12.237 -18.583 4.063 1152 1HD2 LEU 120 3HD2 LEU 120 -13.917 -15.806 2.158 1153 2HD2 LEU 120 2HD2 LEU 120 -15.473 -16.640 2.093 1154 3HD2 LEU 120 1HD2 LEU 120 -14.845 -16.080 3.631 1155 MD1 LEU 120 QD1 LEU 120 -12.407 -17.581 4.068 1156 MD2 LEU 120 QD2 LEU 120 -14.745 -16.175 2.627 1157 QB LEU 120 QB LEU 120 -13.511 -18.154 0.979 1158 QD LEU 120 QQD LEU 120 -13.576 -16.878 3.348 1159 H ALA 121 H ALA 121 -14.225 -20.999 0.081 1160 HA ALA 121 HA ALA 121 -15.497 -22.284 2.267 1161 1HB ALA 121 2HB ALA 121 -16.256 -22.333 -0.663 1162 2HB ALA 121 1HB ALA 121 -17.175 -23.088 0.640 1163 3HB ALA 121 3HB ALA 121 -16.988 -21.337 0.597 1164 MB ALA 121 QB ALA 121 -16.806 -22.253 0.191 1165 H GLU 122 H GLU 122 -13.931 -23.665 2.833 1166 HA GLU 122 HA GLU 122 -13.351 -25.899 1.021 1167 1HB GLU 122 2HB GLU 122 -11.323 -24.589 1.474 1168 2HB GLU 122 1HB GLU 122 -11.636 -24.668 3.198 1169 1HG GLU 122 2HG GLU 122 -9.879 -26.212 2.597 1170 2HG GLU 122 1HG GLU 122 -11.301 -27.089 3.144 1171 QB GLU 122 QB GLU 122 -11.480 -24.629 2.336 1172 QG GLU 122 QG GLU 122 -10.590 -26.651 2.870 1173 H SER 123 H SER 123 -13.342 -27.940 2.082 1174 HA SER 123 HA SER 123 -15.141 -28.054 4.323 1175 1HB SER 123 2HB SER 123 -14.918 -29.786 2.347 1176 2HB SER 123 1HB SER 123 -13.543 -30.397 3.260 1177 HG SER 123 HG SER 123 -16.216 -30.645 3.688 1178 QB SER 123 QB SER 123 -14.231 -30.092 2.804 1179 H ARG 124 H ARG 124 -14.122 -26.999 5.844 1180 HA ARG 124 HA ARG 124 -11.400 -27.174 6.474 1181 1HB ARG 124 2HB ARG 124 -11.812 -25.765 8.414 1182 2HB ARG 124 1HB ARG 124 -12.640 -25.155 7.002 1183 1HG ARG 124 2HG ARG 124 -13.972 -26.710 9.226 1184 2HG ARG 124 1HG ARG 124 -13.909 -24.956 9.124 1185 1HD ARG 124 2HD ARG 124 -15.227 -26.798 7.125 1186 2HD ARG 124 1HD ARG 124 -16.052 -25.860 8.354 1187 HE ARG 124 HE ARG 124 -14.478 -24.176 6.686 1188 1HH1 ARG 124 1HH1 ARG 124 -17.514 -26.010 6.631 1189 2HH1 ARG 124 2HH1 ARG 124 -18.319 -24.943 5.594 1190 1HH2 ARG 124 1HH2 ARG 124 -15.587 -22.695 5.292 1191 2HH2 ARG 124 2HH2 ARG 124 -17.199 -22.981 4.824 1192 QB ARG 124 QB ARG 124 -12.226 -25.460 7.708 1193 QG ARG 124 QG ARG 124 -13.941 -25.833 9.175 1194 QD ARG 124 QD ARG 124 -15.639 -26.329 7.740 1195 QH1 ARG 124 QH1 ARG 124 -17.916 -25.476 6.112 1196 QH2 ARG 124 QH2 ARG 124 -16.393 -22.838 5.058 1197 H GLN 125 H GLN 125 -13.990 -29.160 7.625 1198 HA GLN 125 HA GLN 125 -12.260 -30.182 9.745 1199 1HB GLN 125 2HB GLN 125 -14.667 -29.794 10.251 1200 2HB GLN 125 1HB GLN 125 -15.094 -30.979 9.032 1201 1HG GLN 125 2HG GLN 125 -13.886 -32.700 10.301 1202 2HG GLN 125 1HG GLN 125 -13.541 -31.507 11.547 1203 1HE2 GLN 125 1HE2 GLN 125 -16.185 -30.250 11.303 1204 2HE2 GLN 125 2HE2 GLN 125 -17.300 -31.332 12.020 1205 QB GLN 125 QB GLN 125 -14.881 -30.387 9.642 1206 QG GLN 125 QG GLN 125 -13.714 -32.103 10.924 1207 QE GLN 125 QE2 GLN 125 -16.742 -30.791 11.661 No H/Q in entry = 1207 Start of MODEL 13 1 H1 LEU 5 2HT LEU 5 -9.058 25.903 -22.707 2 H2 LEU 5 1HT LEU 5 -10.686 26.361 -22.893 3 H3 LEU 5 3HT LEU 5 -9.488 27.522 -22.702 4 HA LEU 5 HA LEU 5 -10.624 27.364 -20.720 5 1HB LEU 5 2HB LEU 5 -10.050 24.419 -20.978 6 2HB LEU 5 1HB LEU 5 -10.162 25.129 -19.390 7 HG LEU 5 HG LEU 5 -12.472 25.769 -19.783 8 1HD1 LEU 5 2HD1 LEU 5 -12.312 26.280 -22.100 9 2HD1 LEU 5 1HD1 LEU 5 -12.156 24.571 -22.519 10 3HD1 LEU 5 3HD1 LEU 5 -13.665 25.178 -21.802 11 1HD2 LEU 5 2HD2 LEU 5 -12.025 23.539 -18.929 12 2HD2 LEU 5 1HD2 LEU 5 -13.464 23.557 -19.950 13 3HD2 LEU 5 3HD2 LEU 5 -11.946 22.917 -20.578 14 MD1 LEU 5 QD1 LEU 5 -12.711 25.343 -22.140 15 MD2 LEU 5 QD2 LEU 5 -12.478 23.338 -19.819 16 QB LEU 5 QB LEU 5 -10.106 24.774 -20.184 17 QD LEU 5 QQD LEU 5 -12.595 24.340 -20.980 18 H GLU 6 H GLU 6 -9.395 27.086 -18.551 19 HA GLU 6 HA GLU 6 -6.775 28.035 -18.935 20 1HB GLU 6 2HB GLU 6 -8.167 28.714 -16.957 21 2HB GLU 6 1HB GLU 6 -8.050 27.014 -16.483 22 1HG GLU 6 2HG GLU 6 -6.667 28.590 -15.247 23 2HG GLU 6 1HG GLU 6 -5.753 27.242 -15.953 24 QB GLU 6 QB GLU 6 -8.108 27.864 -16.720 25 QG GLU 6 QG GLU 6 -6.210 27.916 -15.600 26 H ALA 7 H ALA 7 -4.899 27.086 -18.337 27 HA ALA 7 HA ALA 7 -4.676 24.356 -19.172 28 1HB ALA 7 3HB ALA 7 -2.560 26.192 -18.061 29 2HB ALA 7 2HB ALA 7 -2.275 24.668 -18.903 30 3HB ALA 7 1HB ALA 7 -2.985 26.034 -19.766 31 MB ALA 7 QB ALA 7 -2.607 25.631 -18.910 32 H ASP 8 H ASP 8 -4.293 22.607 -17.981 33 HA ASP 8 HA ASP 8 -4.673 22.818 -15.095 34 1HB ASP 8 2HB ASP 8 -5.971 21.149 -16.467 35 2HB ASP 8 1HB ASP 8 -4.454 20.388 -16.910 36 QB ASP 8 QB ASP 8 -5.212 20.768 -16.688 37 H VAL 9 H VAL 9 -3.063 21.930 -13.640 38 HA VAL 9 HA VAL 9 -0.540 22.448 -14.273 39 HB VAL 9 HB VAL 9 0.153 21.102 -12.243 40 1HG1 VAL 9 2HG1 VAL 9 -2.023 23.180 -11.993 41 2HG1 VAL 9 1HG1 VAL 9 -0.952 22.676 -10.684 42 3HG1 VAL 9 3HG1 VAL 9 -0.293 23.475 -12.108 43 1HG2 VAL 9 2HG2 VAL 9 -2.808 20.743 -12.124 44 2HG2 VAL 9 1HG2 VAL 9 -1.609 19.467 -12.306 45 3HG2 VAL 9 3HG2 VAL 9 -1.708 20.374 -10.779 46 MG1 VAL 9 QG1 VAL 9 -1.089 23.111 -11.595 47 MG2 VAL 9 QG2 VAL 9 -2.042 20.195 -11.737 48 QG VAL 9 QQG VAL 9 -1.566 21.653 -11.666 49 H THR 10 H THR 10 -2.242 19.416 -14.559 50 HA THR 10 HA THR 10 -1.769 17.341 -15.317 51 HB THR 10 HB THR 10 -0.663 17.174 -17.384 52 HG1 THR 10 1HG THR 10 0.355 19.635 -16.657 53 1HG2 THR 10 1HG2 THR 10 -2.971 17.871 -17.387 54 2HG2 THR 10 3HG2 THR 10 -2.490 19.565 -17.250 55 3HG2 THR 10 2HG2 THR 10 -2.130 18.656 -18.721 56 MG THR 10 QG2 THR 10 -2.530 18.698 -17.786 57 H MET 11 H MET 11 0.178 15.885 -16.298 58 HA MET 11 HA MET 11 1.980 15.686 -14.115 59 1HB MET 11 2HB MET 11 1.733 14.051 -16.647 60 2HB MET 11 1HB MET 11 2.797 13.686 -15.300 61 1HG MET 11 2HG MET 11 0.905 12.251 -15.196 62 2HG MET 11 1HG MET 11 0.801 13.433 -13.899 63 1HE MET 11 1HE MET 11 -0.538 12.428 -17.456 64 2HE MET 11 3HE MET 11 -1.751 13.672 -17.744 65 3HE MET 11 2HE MET 11 -0.049 14.107 -17.711 66 QB MET 11 QB MET 11 2.265 13.868 -15.974 67 QG MET 11 QG MET 11 0.853 12.842 -14.548 68 ME MET 11 QE MET 11 -0.779 13.402 -17.637 69 H THR 12 H THR 12 3.023 17.642 -14.401 70 HA THR 12 HA THR 12 4.908 17.830 -16.650 71 HB THR 12 HB THR 12 5.265 20.023 -15.773 72 HG1 THR 12 1HG THR 12 2.668 20.014 -14.611 73 1HG2 THR 12 1HG2 THR 12 2.509 19.389 -16.816 74 2HG2 THR 12 3HG2 THR 12 3.215 21.007 -16.826 75 3HG2 THR 12 2HG2 THR 12 3.973 19.706 -17.747 76 MG THR 12 QG2 THR 12 3.232 20.034 -17.130 77 H GLY 13 H GLY 13 5.189 19.186 -13.505 78 1HA GLY 13 1HA GLY 13 7.863 18.840 -13.124 79 2HA GLY 13 2HA GLY 13 7.121 17.359 -12.499 80 QA GLY 13 QA GLY 13 7.492 18.099 -12.811 81 H SER 14 H SER 14 6.841 17.548 -10.264 82 HA SER 14 HA SER 14 6.351 20.108 -9.192 83 1HB SER 14 2HB SER 14 4.463 17.755 -8.891 84 2HB SER 14 1HB SER 14 4.299 19.327 -8.114 85 HG SER 14 HG SER 14 4.465 19.915 -10.596 86 QB SER 14 QB SER 14 4.381 18.541 -8.502 87 H ASP 15 H ASP 15 5.709 19.027 -6.705 88 HA ASP 15 HA ASP 15 8.178 17.765 -6.019 89 1HB ASP 15 2HB ASP 15 7.662 18.716 -3.843 90 2HB ASP 15 1HB ASP 15 8.085 19.960 -4.971 91 QB ASP 15 QB ASP 15 7.873 19.338 -4.407 92 H LEU 16 H LEU 16 6.389 16.211 -6.910 93 HA LEU 16 HA LEU 16 5.592 14.770 -4.537 94 1HB LEU 16 2HB LEU 16 4.450 14.527 -7.298 95 2HB LEU 16 1HB LEU 16 3.996 13.567 -5.903 96 HG LEU 16 HG LEU 16 2.301 14.944 -6.170 97 1HD1 LEU 16 3HD1 LEU 16 2.854 15.084 -3.889 98 2HD1 LEU 16 2HD1 LEU 16 3.943 16.434 -4.180 99 3HD1 LEU 16 1HD1 LEU 16 2.206 16.643 -4.401 100 1HD2 LEU 16 3HD2 LEU 16 4.115 17.181 -6.891 101 2HD2 LEU 16 2HD2 LEU 16 2.938 16.288 -7.884 102 3HD2 LEU 16 1HD2 LEU 16 2.370 17.376 -6.622 103 MD1 LEU 16 QD1 LEU 16 3.001 16.054 -4.157 104 MD2 LEU 16 QD2 LEU 16 3.141 16.948 -7.132 105 QB LEU 16 QB LEU 16 4.223 14.047 -6.600 106 QD LEU 16 QQD LEU 16 3.071 16.501 -5.644 107 H VAL 17 H VAL 17 5.601 12.574 -4.776 108 HA VAL 17 HA VAL 17 7.641 11.624 -6.346 109 HB VAL 17 HB VAL 17 7.837 11.913 -3.362 110 1HG1 VAL 17 1HG1 VAL 17 9.051 9.891 -5.055 111 2HG1 VAL 17 3HG1 VAL 17 9.714 10.283 -3.438 112 3HG1 VAL 17 2HG1 VAL 17 8.028 9.666 -3.575 113 1HG2 VAL 17 2HG2 VAL 17 9.081 13.479 -4.868 114 2HG2 VAL 17 1HG2 VAL 17 10.130 12.549 -3.787 115 3HG2 VAL 17 3HG2 VAL 17 9.976 12.091 -5.475 116 MG1 VAL 17 QG1 VAL 17 8.931 9.947 -4.023 117 MG2 VAL 17 QG2 VAL 17 9.729 12.706 -4.710 118 QG VAL 17 QQG VAL 17 9.330 11.326 -4.366 119 H SER 18 H SER 18 7.467 9.326 -6.302 120 HA SER 18 HA SER 18 5.034 8.188 -5.120 121 1HB SER 18 2HB SER 18 4.682 8.673 -7.538 122 2HB SER 18 1HB SER 18 6.077 7.681 -7.925 123 HG SER 18 HG SER 18 4.932 5.900 -7.017 124 QB SER 18 QB SER 18 5.379 8.177 -7.732 125 H CYS 19 H CYS 19 5.783 6.804 -3.702 126 HA CYS 19 HA CYS 19 8.117 5.185 -4.361 127 1HB CYS 19 2HB CYS 19 6.587 5.512 -1.766 128 2HB CYS 19 1HB CYS 19 7.988 4.472 -1.975 129 HG CYS 19 HG CYS 19 9.760 6.240 -1.506 130 QB CYS 19 QB CYS 19 7.287 4.992 -1.871 131 H CYS 20 H CYS 20 7.810 3.202 -5.106 132 HA CYS 20 HA CYS 20 5.049 2.151 -5.028 133 1HB CYS 20 2HB CYS 20 7.095 1.748 -7.208 134 2HB CYS 20 1HB CYS 20 5.377 1.365 -7.253 135 HG CYS 20 HG CYS 20 6.352 3.678 -8.787 136 QB CYS 20 QB CYS 20 6.236 1.556 -7.230 137 H TYR 21 H TYR 21 5.144 0.379 -3.613 138 HA TYR 21 HA TYR 21 7.760 -0.886 -3.608 139 1HB TYR 21 2HB TYR 21 7.669 -1.275 -1.350 140 2HB TYR 21 1HB TYR 21 7.162 0.357 -1.627 141 HD1 TYR 21 1HD TYR 21 5.522 -2.968 -0.931 142 HD2 TYR 21 2HD TYR 21 5.576 1.235 -0.389 143 HE1 TYR 21 1HE TYR 21 3.653 -3.145 0.710 144 HE2 TYR 21 2HE TYR 21 3.798 1.091 1.185 145 HH TYR 21 HH TYR 21 1.954 -0.463 1.785 146 QB TYR 21 QB TYR 21 7.416 -0.459 -1.488 147 QD TYR 21 QD TYR 21 5.549 -0.867 -0.660 148 QE TYR 21 QE TYR 21 3.725 -1.027 0.948 149 QR TYR 21 QR TYR 21 4.637 -0.947 0.144 150 H ARG 22 H ARG 22 8.020 -2.986 -3.416 151 HA ARG 22 HA ARG 22 5.714 -4.659 -4.086 152 1HB ARG 22 2HB ARG 22 7.775 -4.464 -5.654 153 2HB ARG 22 1HB ARG 22 8.649 -5.323 -4.408 154 1HG ARG 22 2HG ARG 22 6.252 -6.383 -5.907 155 2HG ARG 22 1HG ARG 22 7.925 -6.787 -6.247 156 1HD ARG 22 2HD ARG 22 6.381 -7.426 -3.726 157 2HD ARG 22 1HD ARG 22 6.821 -8.569 -4.988 158 HE ARG 22 HE ARG 22 8.607 -7.332 -3.010 159 1HH1 ARG 22 1HH1 ARG 22 8.210 -9.580 -5.749 160 2HH1 ARG 22 2HH1 ARG 22 9.583 -10.504 -5.375 161 1HH2 ARG 22 1HH2 ARG 22 10.536 -8.658 -2.492 162 2HH2 ARG 22 2HH2 ARG 22 10.884 -9.997 -3.476 163 QB ARG 22 QB ARG 22 8.212 -4.894 -5.031 164 QG ARG 22 QG ARG 22 7.088 -6.585 -6.077 165 QD ARG 22 QD ARG 22 6.601 -7.998 -4.357 166 QH1 ARG 22 QH1 ARG 22 8.897 -10.042 -5.562 167 QH2 ARG 22 QH2 ARG 22 10.710 -9.327 -2.984 168 H SER 23 H SER 23 5.045 -5.611 -2.323 169 HA SER 23 HA SER 23 6.983 -6.427 -0.287 170 1HB SER 23 2HB SER 23 5.608 -4.466 0.389 171 2HB SER 23 1HB SER 23 4.229 -5.487 -0.004 172 HG SER 23 HG SER 23 4.766 -6.852 1.675 173 QB SER 23 QB SER 23 4.918 -4.977 0.192 174 H LEU 24 H LEU 24 6.125 -8.265 0.940 175 HA LEU 24 HA LEU 24 4.185 -9.836 -0.591 176 1HB LEU 24 2HB LEU 24 6.192 -10.680 1.542 177 2HB LEU 24 1HB LEU 24 4.995 -11.753 0.860 178 HG LEU 24 HG LEU 24 7.089 -12.295 -0.107 179 1HD1 LEU 24 3HD1 LEU 24 5.477 -10.753 -2.104 180 2HD1 LEU 24 2HD1 LEU 24 6.716 -11.948 -2.481 181 3HD1 LEU 24 1HD1 LEU 24 5.256 -12.433 -1.618 182 1HD2 LEU 24 1HD2 LEU 24 7.390 -9.399 -0.910 183 2HD2 LEU 24 3HD2 LEU 24 8.349 -10.242 0.310 184 3HD2 LEU 24 2HD2 LEU 24 8.472 -10.702 -1.389 185 MD1 LEU 24 QD1 LEU 24 5.816 -11.711 -2.068 186 MD2 LEU 24 QD2 LEU 24 8.070 -10.114 -0.663 187 QB LEU 24 QB LEU 24 5.594 -11.216 1.201 188 QD LEU 24 QQD LEU 24 6.943 -10.913 -1.365 189 H ALA 25 H ALA 25 2.683 -11.042 1.034 190 HA ALA 25 HA ALA 25 2.026 -9.151 3.169 191 1HB ALA 25 1HB ALA 25 0.376 -11.327 1.887 192 2HB ALA 25 2HB ALA 25 0.257 -9.595 1.561 193 3HB ALA 25 3HB ALA 25 -0.175 -10.223 3.152 194 MB ALA 25 QB ALA 25 0.153 -10.382 2.200 195 H ALA 26 H ALA 26 2.200 -9.855 5.365 196 HA ALA 26 HA ALA 26 3.613 -12.250 5.601 197 1HB ALA 26 2HB ALA 26 4.081 -10.355 6.978 198 2HB ALA 26 1HB ALA 26 2.464 -10.414 7.671 199 3HB ALA 26 3HB ALA 26 3.607 -11.730 7.991 200 MB ALA 26 QB ALA 26 3.384 -10.833 7.547 201 HA PRO 27 HA PRO 27 0.141 -15.082 6.412 202 1HB PRO 27 2HB PRO 27 1.514 -16.767 8.048 203 2HB PRO 27 1HB PRO 27 1.765 -16.766 6.292 204 1HG PRO 27 2HG PRO 27 3.215 -15.083 8.329 205 2HG PRO 27 1HG PRO 27 3.989 -16.318 7.242 206 1HD PRO 27 2HD PRO 27 4.060 -13.863 6.649 207 2HD PRO 27 1HD PRO 27 3.350 -14.918 5.393 208 QB PRO 27 QB PRO 27 1.639 -16.766 7.170 209 QG PRO 27 QG PRO 27 3.602 -15.701 7.786 210 QD PRO 27 QD PRO 27 3.705 -14.390 6.021 211 H ASP 28 H ASP 28 1.898 -13.374 8.492 212 HA ASP 28 HA ASP 28 0.799 -13.837 11.107 213 1HB ASP 28 2HB ASP 28 3.012 -12.889 10.850 214 2HB ASP 28 1HB ASP 28 2.374 -11.559 9.907 215 QB ASP 28 QB ASP 28 2.693 -12.224 10.379 216 H LEU 29 H LEU 29 -0.078 -12.011 8.344 217 HA LEU 29 HA LEU 29 -1.546 -9.939 9.496 218 1HB LEU 29 2HB LEU 29 -1.482 -11.166 6.812 219 2HB LEU 29 1HB LEU 29 -2.695 -9.966 7.215 220 HG LEU 29 HG LEU 29 0.241 -9.505 7.552 221 1HD1 LEU 29 1HD1 LEU 29 -1.640 -8.900 5.316 222 2HD1 LEU 29 3HD1 LEU 29 -0.027 -8.169 5.473 223 3HD1 LEU 29 2HD1 LEU 29 -0.146 -9.912 5.237 224 1HD2 LEU 29 3HD2 LEU 29 -2.157 -7.675 7.437 225 2HD2 LEU 29 2HD2 LEU 29 -1.202 -8.053 8.877 226 3HD2 LEU 29 1HD2 LEU 29 -0.477 -7.170 7.544 227 MD1 LEU 29 QD1 LEU 29 -0.605 -8.994 5.342 228 MD2 LEU 29 QD2 LEU 29 -1.279 -7.633 7.953 229 QB LEU 29 QB LEU 29 -2.088 -10.566 7.014 230 QD LEU 29 QQD LEU 29 -0.942 -8.313 6.647 231 H THR 30 H THR 30 -3.617 -9.532 9.525 232 HA THR 30 HA THR 30 -5.585 -11.682 9.386 233 HB THR 30 HB THR 30 -6.143 -9.906 11.299 234 HG1 THR 30 1HG THR 30 -3.919 -9.684 11.922 235 1HG2 THR 30 1HG2 THR 30 -5.509 -12.779 11.257 236 2HG2 THR 30 3HG2 THR 30 -6.289 -12.042 12.665 237 3HG2 THR 30 2HG2 THR 30 -7.094 -12.020 11.069 238 MG THR 30 QG2 THR 30 -6.297 -12.280 11.664 239 H LEU 31 H LEU 31 -7.679 -10.908 9.183 240 HA LEU 31 HA LEU 31 -8.049 -8.928 7.206 241 1HB LEU 31 2HB LEU 31 -9.624 -10.739 7.961 242 2HB LEU 31 1HB LEU 31 -9.800 -9.644 9.361 243 HG LEU 31 HG LEU 31 -10.788 -7.932 7.966 244 1HD1 LEU 31 2HD1 LEU 31 -9.683 -8.410 5.881 245 2HD1 LEU 31 1HD1 LEU 31 -10.620 -9.906 5.701 246 3HD1 LEU 31 3HD1 LEU 31 -11.428 -8.333 5.692 247 1HD2 LEU 31 1HD2 LEU 31 -12.159 -10.591 7.658 248 2HD2 LEU 31 3HD2 LEU 31 -12.282 -9.504 9.042 249 3HD2 LEU 31 2HD2 LEU 31 -12.922 -9.010 7.475 250 MD1 LEU 31 QD1 LEU 31 -10.577 -8.883 5.758 251 MD2 LEU 31 QD2 LEU 31 -12.454 -9.702 8.058 252 QB LEU 31 QB LEU 31 -9.712 -10.191 8.661 253 QD LEU 31 QQD LEU 31 -11.516 -9.292 6.908 254 H ARG 32 H ARG 32 -8.430 -8.667 10.743 255 HA ARG 32 HA ARG 32 -9.380 -6.038 10.494 256 1HB ARG 32 2HB ARG 32 -9.811 -7.319 12.565 257 2HB ARG 32 1HB ARG 32 -8.096 -7.269 12.959 258 1HG ARG 32 2HG ARG 32 -9.321 -5.611 14.255 259 2HG ARG 32 1HG ARG 32 -8.204 -4.831 13.129 260 1HD ARG 32 2HD ARG 32 -10.203 -4.617 11.537 261 2HD ARG 32 1HD ARG 32 -11.200 -5.066 12.920 262 HE ARG 32 HE ARG 32 -9.939 -3.077 13.990 263 1HH1 ARG 32 1HH1 ARG 32 -11.425 -3.266 10.770 264 2HH1 ARG 32 2HH1 ARG 32 -11.417 -1.572 10.538 265 1HH2 ARG 32 1HH2 ARG 32 -9.957 -0.707 13.597 266 2HH2 ARG 32 2HH2 ARG 32 -10.598 -0.128 12.117 267 QB ARG 32 QB ARG 32 -8.954 -7.294 12.762 268 QG ARG 32 QG ARG 32 -8.763 -5.221 13.692 269 QD ARG 32 QD ARG 32 -10.701 -4.841 12.229 270 QH1 ARG 32 QH1 ARG 32 -11.421 -2.419 10.654 271 QH2 ARG 32 QH2 ARG 32 -10.277 -0.418 12.857 272 H ASP 33 H ASP 33 -6.257 -7.378 10.494 273 HA ASP 33 HA ASP 33 -4.832 -4.982 10.895 274 1HB ASP 33 2HB ASP 33 -4.120 -7.607 9.664 275 2HB ASP 33 1HB ASP 33 -2.992 -6.278 9.569 276 QB ASP 33 QB ASP 33 -3.556 -6.943 9.617 277 H LEU 34 H LEU 34 -6.107 -6.580 7.934 278 HA LEU 34 HA LEU 34 -4.889 -4.602 6.187 279 1HB LEU 34 2HB LEU 34 -7.288 -6.373 5.677 280 2HB LEU 34 1HB LEU 34 -6.657 -5.256 4.496 281 HG LEU 34 HG LEU 34 -5.965 -7.480 3.949 282 1HD1 LEU 34 1HD1 LEU 34 -4.358 -5.725 3.476 283 2HD1 LEU 34 3HD1 LEU 34 -3.631 -5.941 5.070 284 3HD1 LEU 34 2HD1 LEU 34 -3.548 -7.238 3.884 285 1HD2 LEU 34 2HD2 LEU 34 -6.203 -8.284 6.238 286 2HD2 LEU 34 1HD2 LEU 34 -4.701 -8.875 5.434 287 3HD2 LEU 34 3HD2 LEU 34 -4.650 -7.537 6.601 288 MD1 LEU 34 QD1 LEU 34 -3.846 -6.301 4.143 289 MD2 LEU 34 QD2 LEU 34 -5.184 -8.232 6.091 290 QB LEU 34 QB LEU 34 -6.973 -5.815 5.086 291 QD LEU 34 QQD LEU 34 -4.515 -7.267 5.117 292 H LEU 35 H LEU 35 -7.903 -4.962 7.727 293 HA LEU 35 HA LEU 35 -9.126 -2.693 6.589 294 1HB LEU 35 2HB LEU 35 -9.766 -4.406 8.965 295 2HB LEU 35 1HB LEU 35 -10.716 -2.978 8.612 296 HG LEU 35 HG LEU 35 -11.687 -5.192 7.786 297 1HD1 LEU 35 3HD1 LEU 35 -12.402 -3.009 6.899 298 2HD1 LEU 35 2HD1 LEU 35 -11.112 -3.082 5.701 299 3HD1 LEU 35 1HD1 LEU 35 -12.426 -4.258 5.656 300 1HD2 LEU 35 3HD2 LEU 35 -9.477 -6.066 6.994 301 2HD2 LEU 35 2HD2 LEU 35 -10.755 -6.207 5.777 302 3HD2 LEU 35 1HD2 LEU 35 -9.543 -4.914 5.699 303 MD1 LEU 35 QD1 LEU 35 -11.980 -3.450 6.085 304 MD2 LEU 35 QD2 LEU 35 -9.925 -5.729 6.157 305 QB LEU 35 QB LEU 35 -10.241 -3.692 8.789 306 QD LEU 35 QQD LEU 35 -10.953 -4.589 6.121 307 H ASP 36 H ASP 36 -7.337 -3.186 9.479 308 HA ASP 36 HA ASP 36 -7.668 -0.525 10.506 309 1HB ASP 36 2HB ASP 36 -6.918 -2.447 11.924 310 2HB ASP 36 1HB ASP 36 -5.383 -2.436 11.071 311 QB ASP 36 QB ASP 36 -6.151 -2.442 11.497 312 H ILE 37 H ILE 37 -5.262 -2.082 8.463 313 HA ILE 37 HA ILE 37 -3.518 0.019 7.981 314 HB ILE 37 HB ILE 37 -4.435 -2.310 6.287 315 1HG1 ILE 37 2HG1 ILE 37 -1.626 -1.766 7.024 316 2HG1 ILE 37 1HG1 ILE 37 -2.613 -2.376 8.306 317 1HG2 ILE 37 3HG2 ILE 37 -3.977 -0.546 4.679 318 2HG2 ILE 37 2HG2 ILE 37 -2.398 -0.263 5.407 319 3HG2 ILE 37 1HG2 ILE 37 -2.733 -1.794 4.598 320 1HD1 ILE 37 2HD1 ILE 37 -2.122 -3.697 5.622 321 2HD1 ILE 37 1HD1 ILE 37 -1.396 -4.156 7.172 322 3HD1 ILE 37 3HD1 ILE 37 -3.118 -4.373 6.902 323 MG ILE 37 QG2 ILE 37 -3.036 -0.868 4.895 324 MD ILE 37 QD1 ILE 37 -2.212 -4.075 6.565 325 QG ILE 37 QG1 ILE 37 -2.119 -2.071 7.665 326 H VAL 38 H VAL 38 -6.397 -0.885 6.082 327 HA VAL 38 HA VAL 38 -6.253 1.353 4.406 328 HB VAL 38 HB VAL 38 -7.550 -0.559 3.619 329 1HG1 VAL 38 2HG1 VAL 38 -9.394 -0.125 5.893 330 2HG1 VAL 38 1HG1 VAL 38 -9.690 -1.188 4.490 331 3HG1 VAL 38 3HG1 VAL 38 -8.292 -1.467 5.511 332 1HG2 VAL 38 2HG2 VAL 38 -9.342 1.829 3.980 333 2HG2 VAL 38 1HG2 VAL 38 -8.287 1.485 2.612 334 3HG2 VAL 38 3HG2 VAL 38 -9.689 0.465 2.915 335 MG1 VAL 38 QG1 VAL 38 -9.125 -0.927 5.298 336 MG2 VAL 38 QG2 VAL 38 -9.106 1.260 3.169 337 QG VAL 38 QQG VAL 38 -9.116 0.166 4.234 338 H GLU 39 H GLU 39 -8.105 0.991 7.397 339 HA GLU 39 HA GLU 39 -9.353 3.494 7.316 340 1HB GLU 39 2HB GLU 39 -8.603 1.681 9.595 341 2HB GLU 39 1HB GLU 39 -9.472 3.192 9.840 342 1HG GLU 39 2HG GLU 39 -11.320 2.435 8.560 343 2HG GLU 39 1HG GLU 39 -10.426 1.036 7.986 344 QB GLU 39 QB GLU 39 -9.037 2.436 9.718 345 QG GLU 39 QG GLU 39 -10.873 1.735 8.273 346 H THR 40 H THR 40 -6.247 2.587 8.835 347 HA THR 40 HA THR 40 -5.618 5.182 9.717 348 HB THR 40 HB THR 40 -3.996 2.709 9.182 349 HG1 THR 40 1HG THR 40 -4.258 4.081 11.614 350 1HG2 THR 40 2HG2 THR 40 -2.916 5.334 10.229 351 2HG2 THR 40 1HG2 THR 40 -2.041 3.798 10.213 352 3HG2 THR 40 3HG2 THR 40 -2.491 4.577 8.698 353 MG THR 40 QG2 THR 40 -2.483 4.570 9.714 354 H SER 41 H SER 41 -4.756 3.434 6.773 355 HA SER 41 HA SER 41 -2.890 5.132 5.703 356 1HB SER 41 2HB SER 41 -3.324 2.848 4.925 357 2HB SER 41 1HB SER 41 -4.862 3.373 4.244 358 HG SER 41 HG SER 41 -3.261 3.319 2.657 359 QB SER 41 QB SER 41 -4.093 3.111 4.585 360 H GLN 42 H GLN 42 -6.346 5.013 4.757 361 HA GLN 42 HA GLN 42 -6.355 7.130 2.932 362 1HB GLN 42 2HB GLN 42 -8.488 6.207 4.794 363 2HB GLN 42 1HB GLN 42 -8.751 7.346 3.488 364 1HG GLN 42 2HG GLN 42 -8.341 5.764 1.851 365 2HG GLN 42 1HG GLN 42 -7.533 4.705 3.019 366 1HE2 GLN 42 1HE2 GLN 42 -9.569 4.987 5.063 367 2HE2 GLN 42 2HE2 GLN 42 -10.869 4.049 4.439 368 QB GLN 42 QB GLN 42 -8.620 6.777 4.141 369 QG GLN 42 QG GLN 42 -7.937 5.234 2.435 370 QE GLN 42 QE2 GLN 42 -10.219 4.518 4.751 371 H ALA 43 H ALA 43 -6.977 7.140 6.367 372 HA ALA 43 HA ALA 43 -7.820 9.809 6.475 373 1HB ALA 43 3HB ALA 43 -7.924 9.470 8.811 374 2HB ALA 43 1HB ALA 43 -6.739 8.143 8.722 375 3HB ALA 43 2HB ALA 43 -8.327 7.939 8.004 376 MB ALA 43 QB ALA 43 -7.663 8.517 8.512 377 H HIS 44 H HIS 44 -4.644 8.383 6.819 378 HA HIS 44 HA HIS 44 -3.521 10.965 7.567 379 1HB HIS 44 2HB HIS 44 -2.533 8.690 8.350 380 2HB HIS 44 1HB HIS 44 -2.084 8.542 6.641 381 HD1 HIS 44 1HD HIS 44 0.449 8.445 7.103 382 HD2 HIS 44 2HD HIS 44 -1.383 11.926 8.459 383 HE1 HIS 44 1HE HIS 44 2.316 10.013 7.667 384 HE2 HIS 44 2HE HIS 44 1.189 11.951 8.777 385 QB HIS 44 QB HIS 44 -2.309 8.616 7.496 386 H ASN 45 H ASN 45 -3.687 8.893 4.719 387 HA ASN 45 HA ASN 45 -1.903 10.447 3.187 388 1HB ASN 45 2HB ASN 45 -4.060 8.566 2.250 389 2HB ASN 45 1HB ASN 45 -2.852 9.303 1.208 390 1HD2 ASN 45 1HD2 ASN 45 -3.352 6.568 1.627 391 2HD2 ASN 45 2HD2 ASN 45 -1.920 5.877 2.283 392 QB ASN 45 QB ASN 45 -3.456 8.934 1.729 393 QD ASN 45 QD2 ASN 45 -2.636 6.222 1.955 394 H ALA 46 H ALA 46 -5.405 10.464 3.501 395 HA ALA 46 HA ALA 46 -5.929 12.321 1.481 396 1HB ALA 46 3HB ALA 46 -8.026 12.732 2.612 397 2HB ALA 46 1HB ALA 46 -7.382 11.998 4.082 398 3HB ALA 46 2HB ALA 46 -7.655 11.002 2.647 399 MB ALA 46 QB ALA 46 -7.688 11.911 3.114 400 H ARG 47 H ARG 47 -5.122 12.734 4.902 401 HA ARG 47 HA ARG 47 -5.361 15.549 4.808 402 1HB ARG 47 2HB ARG 47 -5.384 14.121 6.888 403 2HB ARG 47 1HB ARG 47 -3.644 13.952 6.580 404 1HG ARG 47 2HG ARG 47 -3.981 15.643 8.300 405 2HG ARG 47 1HG ARG 47 -3.301 16.348 6.838 406 1HD ARG 47 2HD ARG 47 -6.219 16.450 7.621 407 2HD ARG 47 1HD ARG 47 -5.048 17.720 7.934 408 HE ARG 47 HE ARG 47 -4.889 17.459 5.254 409 1HH1 ARG 47 1HH1 ARG 47 -7.655 17.933 7.422 410 2HH1 ARG 47 2HH1 ARG 47 -8.610 18.734 6.273 411 1HH2 ARG 47 1HH2 ARG 47 -6.211 18.593 3.676 412 2HH2 ARG 47 2HH2 ARG 47 -7.766 19.137 4.093 413 QB ARG 47 QB ARG 47 -4.514 14.037 6.734 414 QG ARG 47 QG ARG 47 -3.641 15.996 7.569 415 QD ARG 47 QD ARG 47 -5.634 17.085 7.777 416 QH1 ARG 47 QH1 ARG 47 -8.132 18.333 6.847 417 QH2 ARG 47 QH2 ARG 47 -6.988 18.865 3.885 418 H ALA 48 H ALA 48 -2.611 13.283 4.527 419 HA ALA 48 HA ALA 48 -0.841 15.451 4.333 420 1HB ALA 48 3HB ALA 48 -0.127 13.382 5.334 421 2HB ALA 48 1HB ALA 48 0.908 13.852 3.984 422 3HB ALA 48 2HB ALA 48 -0.287 12.555 3.775 423 MB ALA 48 QB ALA 48 0.164 13.263 4.364 424 H GLN 49 H GLN 49 -2.922 14.195 2.129 425 HA GLN 49 HA GLN 49 -3.402 14.679 -0.033 426 1HB GLN 49 2HB GLN 49 -0.907 16.332 0.122 427 2HB GLN 49 1HB GLN 49 -1.986 16.339 -1.300 428 1HG GLN 49 2HG GLN 49 -3.389 17.671 -0.220 429 2HG GLN 49 1HG GLN 49 -3.201 16.596 1.200 430 1HE2 GLN 49 1HE2 GLN 49 -1.952 17.130 2.837 431 2HE2 GLN 49 2HE2 GLN 49 -0.938 18.499 2.943 432 QB GLN 49 QB GLN 49 -1.447 16.336 -0.589 433 QG GLN 49 QG GLN 49 -3.295 17.133 0.490 434 QE GLN 49 QE2 GLN 49 -1.445 17.814 2.890 435 H LEU 50 H LEU 50 -1.972 12.528 0.818 436 HA LEU 50 HA LEU 50 -0.355 11.699 -1.428 437 1HB LEU 50 2HB LEU 50 -0.925 10.638 1.276 438 2HB LEU 50 1HB LEU 50 -0.400 9.521 0.031 439 HG LEU 50 HG LEU 50 1.615 10.736 -0.278 440 1HD1 LEU 50 3HD1 LEU 50 0.901 12.998 0.187 441 2HD1 LEU 50 2HD1 LEU 50 0.701 12.596 1.890 442 3HD1 LEU 50 1HD1 LEU 50 2.307 12.574 1.161 443 1HD2 LEU 50 2HD2 LEU 50 1.503 9.025 1.439 444 2HD2 LEU 50 1HD2 LEU 50 2.704 10.284 1.793 445 3HD2 LEU 50 3HD2 LEU 50 1.155 10.279 2.630 446 MD1 LEU 50 QD1 LEU 50 1.303 12.723 1.080 447 MD2 LEU 50 QD2 LEU 50 1.787 9.863 1.954 448 QB LEU 50 QB LEU 50 -0.663 10.080 0.653 449 QD LEU 50 QQD LEU 50 1.545 11.293 1.517 450 H THR 51 H THR 51 -1.016 10.458 -2.995 451 HA THR 51 HA THR 51 -3.714 9.382 -2.850 452 HB THR 51 HB THR 51 -3.816 9.877 -5.306 453 HG1 THR 51 1HG THR 51 -1.861 10.219 -6.143 454 1HG2 THR 51 3HG2 THR 51 -4.588 11.349 -3.515 455 2HG2 THR 51 2HG2 THR 51 -3.010 12.162 -3.566 456 3HG2 THR 51 1HG2 THR 51 -4.087 12.261 -4.970 457 MG THR 51 QG2 THR 51 -3.895 11.924 -4.017 458 H GLY 52 H GLY 52 -4.041 7.322 -3.989 459 1HA GLY 52 1HA GLY 52 -2.261 5.585 -2.851 460 2HA GLY 52 2HA GLY 52 -1.735 5.758 -4.520 461 QA GLY 52 QA GLY 52 -1.998 5.672 -3.686 462 H ALA 53 H ALA 53 -2.131 3.493 -4.110 463 HA ALA 53 HA ALA 53 -4.683 2.423 -3.842 464 1HB ALA 53 2HB ALA 53 -4.961 1.409 -6.088 465 2HB ALA 53 3HB ALA 53 -3.553 2.304 -6.659 466 3HB ALA 53 1HB ALA 53 -5.015 3.171 -6.185 467 MB ALA 53 QB ALA 53 -4.510 2.295 -6.311 468 H LEU 54 H LEU 54 -4.397 -0.093 -4.572 469 HA LEU 54 HA LEU 54 -1.684 -0.901 -4.509 470 1HB LEU 54 2HB LEU 54 -1.665 -2.080 -2.419 471 2HB LEU 54 1HB LEU 54 -2.160 -0.428 -2.133 472 HG LEU 54 HG LEU 54 -4.580 -1.402 -2.040 473 1HD1 LEU 54 1HD1 LEU 54 -4.039 -3.623 -2.893 474 2HD1 LEU 54 3HD1 LEU 54 -3.015 -3.909 -1.486 475 3HD1 LEU 54 2HD1 LEU 54 -4.753 -3.682 -1.283 476 1HD2 LEU 54 3HD2 LEU 54 -3.385 -0.445 -0.167 477 2HD2 LEU 54 2HD2 LEU 54 -4.305 -1.869 0.328 478 3HD2 LEU 54 1HD2 LEU 54 -2.557 -1.976 0.106 479 MD1 LEU 54 QD1 LEU 54 -3.935 -3.738 -1.887 480 MD2 LEU 54 QD2 LEU 54 -3.416 -1.430 0.089 481 QB LEU 54 QB LEU 54 -1.912 -1.254 -2.276 482 QD LEU 54 QQD LEU 54 -3.675 -2.584 -0.899 483 H PHE 55 H PHE 55 -1.477 -3.123 -4.884 484 HA PHE 55 HA PHE 55 -3.935 -4.457 -5.670 485 1HB PHE 55 2HB PHE 55 -1.393 -4.375 -7.332 486 2HB PHE 55 1HB PHE 55 -2.822 -5.338 -7.698 487 HD1 PHE 55 1HD PHE 55 -5.027 -4.092 -8.084 488 HD2 PHE 55 2HD PHE 55 -1.220 -2.198 -8.135 489 HE1 PHE 55 1HE PHE 55 -5.991 -2.184 -9.307 490 HE2 PHE 55 2HE PHE 55 -2.174 -0.294 -9.349 491 HZ PHE 55 HZ PHE 55 -4.557 -0.281 -9.932 492 QB PHE 55 QB PHE 55 -2.108 -4.856 -7.515 493 QD PHE 55 QD PHE 55 -3.124 -3.145 -8.109 494 QE PHE 55 QE PHE 55 -4.083 -1.239 -9.328 495 QR PHE 55 QR PHE 55 -3.794 -1.810 -8.961 496 H TYR 56 H TYR 56 -4.064 -6.042 -4.356 497 HA TYR 56 HA TYR 56 -1.677 -7.454 -3.446 498 1HB TYR 56 2HB TYR 56 -3.165 -6.539 -1.718 499 2HB TYR 56 1HB TYR 56 -4.551 -7.331 -2.396 500 HD1 TYR 56 1HD TYR 56 -3.695 -10.168 -2.624 501 HD2 TYR 56 2HD TYR 56 -2.779 -7.293 0.384 502 HE1 TYR 56 1HE TYR 56 -3.378 -11.979 -0.999 503 HE2 TYR 56 2HE TYR 56 -2.434 -9.110 2.013 504 HH TYR 56 HH TYR 56 -2.169 -12.368 1.125 505 QB TYR 56 QB TYR 56 -3.858 -6.935 -2.057 506 QD TYR 56 QD TYR 56 -3.237 -8.731 -1.120 507 QE TYR 56 QE TYR 56 -2.906 -10.545 0.507 508 QR TYR 56 QR TYR 56 -3.071 -9.638 -0.307 509 H SER 57 H SER 57 -1.296 -9.192 -4.692 510 HA SER 57 HA SER 57 -3.574 -10.744 -5.689 511 1HB SER 57 2HB SER 57 -2.332 -10.969 -7.882 512 2HB SER 57 1HB SER 57 -2.963 -9.353 -7.553 513 HG SER 57 HG SER 57 -0.397 -9.929 -6.660 514 QB SER 57 QB SER 57 -2.647 -10.161 -7.718 515 H GLN 58 H GLN 58 -3.338 -12.792 -5.095 516 HA GLN 58 HA GLN 58 -2.512 -14.847 -4.744 517 1HB GLN 58 2HB GLN 58 -1.080 -14.606 -6.726 518 2HB GLN 58 1HB GLN 58 0.106 -13.747 -5.747 519 1HG GLN 58 2HG GLN 58 0.481 -15.783 -4.425 520 2HG GLN 58 1HG GLN 58 -0.693 -16.637 -5.415 521 1HE2 GLN 58 1HE2 GLN 58 1.694 -14.349 -6.724 522 2HE2 GLN 58 2HE2 GLN 58 2.602 -15.542 -7.543 523 QB GLN 58 QB GLN 58 -0.487 -14.177 -6.236 524 QG GLN 58 QG GLN 58 -0.106 -16.210 -4.920 525 QE GLN 58 QE2 GLN 58 2.148 -14.945 -7.133 526 H GLY 59 H GLY 59 -0.750 -12.203 -3.509 527 1HA GLY 59 1HA GLY 59 0.493 -13.753 -1.372 528 2HA GLY 59 2HA GLY 59 -0.695 -12.541 -0.896 529 QA GLY 59 QA GLY 59 -0.101 -13.147 -1.134 530 H VAL 60 H VAL 60 1.047 -11.833 -3.776 531 HA VAL 60 HA VAL 60 3.036 -10.354 -2.363 532 HB VAL 60 HB VAL 60 3.976 -9.748 -4.485 533 1HG1 VAL 60 2HG1 VAL 60 3.063 -12.600 -4.605 534 2HG1 VAL 60 1HG1 VAL 60 4.358 -11.913 -5.579 535 3HG1 VAL 60 3HG1 VAL 60 4.516 -11.970 -3.824 536 1HG2 VAL 60 3HG2 VAL 60 1.494 -10.854 -5.827 537 2HG2 VAL 60 2HG2 VAL 60 1.975 -9.162 -5.750 538 3HG2 VAL 60 1HG2 VAL 60 2.948 -10.309 -6.672 539 MG1 VAL 60 QG1 VAL 60 3.979 -12.161 -4.669 540 MG2 VAL 60 QG2 VAL 60 2.139 -10.108 -6.083 541 QG VAL 60 QQG VAL 60 3.059 -11.135 -5.376 542 H PHE 61 H PHE 61 3.021 -8.284 -1.977 543 HA PHE 61 HA PHE 61 0.547 -6.764 -2.370 544 1HB PHE 61 2HB PHE 61 2.692 -6.945 -0.475 545 2HB PHE 61 1HB PHE 61 2.423 -5.295 -1.005 546 HD1 PHE 61 1HD PHE 61 1.995 -7.221 1.567 547 HD2 PHE 61 2HD PHE 61 -0.478 -5.069 -1.151 548 HE1 PHE 61 1HE PHE 61 0.339 -6.946 3.321 549 HE2 PHE 61 2HE PHE 61 -2.142 -4.776 0.608 550 HZ PHE 61 HZ PHE 61 -1.715 -5.684 2.857 551 QB PHE 61 QB PHE 61 2.557 -6.120 -0.740 552 QD PHE 61 QD PHE 61 0.759 -6.145 0.208 553 QE PHE 61 QE PHE 61 -0.901 -5.861 1.965 554 QR PHE 61 QR PHE 61 -0.400 -5.939 1.441 555 H PHE 62 H PHE 62 0.614 -5.437 -4.241 556 HA PHE 62 HA PHE 62 3.084 -3.889 -4.449 557 1HB PHE 62 2HB PHE 62 2.437 -4.934 -6.608 558 2HB PHE 62 1HB PHE 62 0.860 -4.144 -6.509 559 HD1 PHE 62 1HD PHE 62 4.508 -3.452 -6.717 560 HD2 PHE 62 2HD PHE 62 0.565 -1.982 -7.358 561 HE1 PHE 62 1HE PHE 62 5.430 -1.471 -7.839 562 HE2 PHE 62 2HE PHE 62 1.480 -0.003 -8.499 563 HZ PHE 62 HZ PHE 62 3.915 0.256 -8.735 564 QB PHE 62 QB PHE 62 1.648 -4.539 -6.559 565 QD PHE 62 QD PHE 62 2.536 -2.717 -7.038 566 QE PHE 62 QE PHE 62 3.455 -0.737 -8.169 567 QR PHE 62 QR PHE 62 3.179 -1.330 -7.830 568 H GLN 63 H GLN 63 2.960 -1.989 -3.500 569 HA GLN 63 HA GLN 63 0.347 -0.647 -3.303 570 1HB GLN 63 2HB GLN 63 0.979 -2.145 -1.261 571 2HB GLN 63 1HB GLN 63 2.229 -0.970 -0.954 572 1HG GLN 63 2HG GLN 63 -0.755 -0.466 -0.860 573 2HG GLN 63 1HG GLN 63 0.314 -0.675 0.498 574 1HE2 GLN 63 1HE2 GLN 63 -0.809 1.494 -1.961 575 2HE2 GLN 63 2HE2 GLN 63 -0.013 2.887 -1.346 576 QB GLN 63 QB GLN 63 1.604 -1.557 -1.108 577 QG GLN 63 QG GLN 63 -0.221 -0.571 -0.181 578 QE GLN 63 QE2 GLN 63 -0.411 2.191 -1.653 579 H TRP 64 H TRP 64 0.672 1.520 -3.818 580 HA TRP 64 HA TRP 64 3.287 2.537 -3.246 581 1HB TRP 64 2HB TRP 64 3.729 3.362 -5.391 582 2HB TRP 64 1HB TRP 64 3.181 1.688 -5.646 583 HD1 TRP 64 HD TRP 64 3.123 4.945 -7.007 584 HE1 TRP 64 1HE TRP 64 1.227 5.304 -8.617 585 HE3 TRP 64 3HE TRP 64 0.202 0.975 -5.681 586 HZ2 TRP 64 2HZ TRP 64 -1.245 4.099 -9.276 587 HZ3 TRP 64 3HZ TRP 64 -1.950 0.692 -6.840 588 HH2 TRP 64 HH TRP 64 -2.638 2.210 -8.615 589 QB TRP 64 QB TRP 64 3.455 2.525 -5.519 590 H LEU 65 H LEU 65 3.279 4.993 -3.598 591 HA LEU 65 HA LEU 65 0.664 6.217 -3.383 592 1HB LEU 65 2HB LEU 65 1.264 7.425 -1.344 593 2HB LEU 65 1HB LEU 65 1.078 5.709 -1.080 594 HG LEU 65 HG LEU 65 3.771 6.861 -1.552 595 1HD1 LEU 65 1HD1 LEU 65 2.182 6.791 0.998 596 2HD1 LEU 65 3HD1 LEU 65 3.928 7.037 0.948 597 3HD1 LEU 65 2HD1 LEU 65 2.860 8.218 0.188 598 1HD2 LEU 65 1HD2 LEU 65 3.564 4.415 -1.497 599 2HD2 LEU 65 3HD2 LEU 65 4.490 4.993 -0.112 600 3HD2 LEU 65 2HD2 LEU 65 2.808 4.510 0.092 601 MD1 LEU 65 QD1 LEU 65 2.990 7.349 0.711 602 MD2 LEU 65 QD2 LEU 65 3.621 4.639 -0.505 603 QB LEU 65 QB LEU 65 1.171 6.567 -1.212 604 QD LEU 65 QQD LEU 65 3.305 5.994 0.103 605 H GLU 66 H GLU 66 0.588 8.281 -3.938 606 HA GLU 66 HA GLU 66 2.993 9.558 -5.049 607 1HB GLU 66 2HB GLU 66 0.093 10.349 -5.353 608 2HB GLU 66 1HB GLU 66 1.463 10.871 -6.298 609 1HG GLU 66 2HG GLU 66 1.586 8.731 -7.393 610 2HG GLU 66 1HG GLU 66 0.275 8.112 -6.373 611 QB GLU 66 QB GLU 66 0.778 10.610 -5.826 612 QG GLU 66 QG GLU 66 0.931 8.421 -6.883 613 H GLY 67 H GLY 67 3.756 11.233 -3.705 614 1HA GLY 67 1HA GLY 67 2.689 12.080 -1.312 615 2HA GLY 67 2HA GLY 67 1.912 13.077 -2.544 616 QA GLY 67 QA GLY 67 2.300 12.579 -1.928 617 H HIS 68 H HIS 68 3.333 14.741 -1.048 618 HA HIS 68 HA HIS 68 5.717 15.388 -2.515 619 1HB HIS 68 2HB HIS 68 4.595 17.274 -1.473 620 2HB HIS 68 1HB HIS 68 4.619 16.529 0.097 621 HD1 HIS 68 1HD HIS 68 6.672 16.783 1.527 622 HD2 HIS 68 2HD HIS 68 6.825 18.326 -2.230 623 HE1 HIS 68 1HE HIS 68 8.857 17.915 1.537 624 HE2 HIS 68 2HE HIS 68 8.872 19.198 -0.660 625 QB HIS 68 QB HIS 68 4.607 16.902 -0.688 626 HA PRO 69 HA PRO 69 8.665 12.410 -1.310 627 1HB PRO 69 2HB PRO 69 10.537 14.422 -0.416 628 2HB PRO 69 1HB PRO 69 10.621 13.367 -1.823 629 1HG PRO 69 2HG PRO 69 9.673 16.131 -1.610 630 2HG PRO 69 1HG PRO 69 10.163 15.234 -3.054 631 1HD PRO 69 2HD PRO 69 7.625 15.916 -2.606 632 2HD PRO 69 1HD PRO 69 8.023 14.363 -3.372 633 QB PRO 69 QB PRO 69 10.579 13.894 -1.120 634 QG PRO 69 QG PRO 69 9.918 15.683 -2.332 635 QD PRO 69 QD PRO 69 7.824 15.139 -2.989 636 H ALA 70 H ALA 70 8.625 15.042 1.108 637 HA ALA 70 HA ALA 70 9.557 13.211 3.061 638 1HB ALA 70 3HB ALA 70 10.172 15.549 3.234 639 2HB ALA 70 1HB ALA 70 9.331 14.951 4.673 640 3HB ALA 70 2HB ALA 70 8.466 15.956 3.473 641 MB ALA 70 QB ALA 70 9.323 15.485 3.793 642 H ALA 71 H ALA 71 6.426 14.198 2.202 643 HA ALA 71 HA ALA 71 5.154 13.259 4.515 644 1HB ALA 71 2HB ALA 71 4.275 13.239 1.705 645 2HB ALA 71 1HB ALA 71 3.168 13.157 3.082 646 3HB ALA 71 3HB ALA 71 4.106 14.650 2.768 647 MB ALA 71 QB ALA 71 3.850 13.682 2.518 648 H VAL 72 H VAL 72 5.961 12.002 1.402 649 HA VAL 72 HA VAL 72 4.957 9.379 1.539 650 HB VAL 72 HB VAL 72 7.553 9.857 0.165 651 1HG1 VAL 72 1HG1 VAL 72 6.445 7.763 -0.046 652 2HG1 VAL 72 3HG1 VAL 72 5.004 8.623 -0.617 653 3HG1 VAL 72 2HG1 VAL 72 6.489 8.635 -1.608 654 1HG2 VAL 72 1HG2 VAL 72 4.996 11.090 -0.779 655 2HG2 VAL 72 3HG2 VAL 72 6.489 11.912 -0.262 656 3HG2 VAL 72 2HG2 VAL 72 6.491 10.908 -1.726 657 MG1 VAL 72 QG1 VAL 72 5.979 8.340 -0.757 658 MG2 VAL 72 QG2 VAL 72 5.992 11.303 -0.922 659 QG VAL 72 QQG VAL 72 5.986 9.822 -0.840 660 H ALA 73 H ALA 73 8.032 10.824 2.427 661 HA ALA 73 HA ALA 73 9.230 8.398 3.182 662 1HB ALA 73 1HB ALA 73 9.955 11.149 3.998 663 2HB ALA 73 3HB ALA 73 10.846 9.621 4.216 664 3HB ALA 73 2HB ALA 73 10.553 10.221 2.560 665 MB ALA 73 QB ALA 73 10.451 10.330 3.591 666 H GLU 74 H GLU 74 7.506 10.855 5.078 667 HA GLU 74 HA GLU 74 8.031 9.571 7.569 668 1HB GLU 74 2HB GLU 74 6.780 11.805 7.385 669 2HB GLU 74 1HB GLU 74 5.361 10.866 6.921 670 1HG GLU 74 2HG GLU 74 5.815 9.515 9.070 671 2HG GLU 74 1HG GLU 74 6.806 10.884 9.546 672 QB GLU 74 QB GLU 74 6.070 11.336 7.153 673 QG GLU 74 QG GLU 74 6.311 10.200 9.308 674 H VAL 75 H VAL 75 5.592 9.172 5.134 675 HA VAL 75 HA VAL 75 4.226 7.037 6.241 676 HB VAL 75 HB VAL 75 4.707 7.855 3.379 677 1HG1 VAL 75 2HG1 VAL 75 2.924 5.666 4.426 678 2HG1 VAL 75 1HG1 VAL 75 2.890 6.329 2.780 679 3HG1 VAL 75 3HG1 VAL 75 4.333 5.507 3.368 680 1HG2 VAL 75 3HG2 VAL 75 2.357 8.096 5.246 681 2HG2 VAL 75 2HG2 VAL 75 3.391 9.387 4.655 682 3HG2 VAL 75 1HG2 VAL 75 2.342 8.524 3.535 683 MG1 VAL 75 QG1 VAL 75 3.383 5.834 3.525 684 MG2 VAL 75 QG2 VAL 75 2.697 8.669 4.479 685 QG VAL 75 QQG VAL 75 3.040 7.252 4.002 686 H MET 76 H MET 76 7.037 6.956 3.918 687 HA MET 76 HA MET 76 7.518 4.316 3.945 688 1HB MET 76 2HB MET 76 9.506 6.558 4.060 689 2HB MET 76 1HB MET 76 9.912 4.934 3.604 690 1HG MET 76 2HG MET 76 7.894 6.501 2.154 691 2HG MET 76 1HG MET 76 9.604 6.660 1.724 692 1HE MET 76 3HE MET 76 6.446 4.714 1.908 693 2HE MET 76 2HE MET 76 6.617 3.290 0.847 694 3HE MET 76 1HE MET 76 7.370 3.325 2.459 695 QB MET 76 QB MET 76 9.709 5.746 3.832 696 QG MET 76 QG MET 76 8.749 6.580 1.939 697 ME MET 76 QE MET 76 6.811 3.776 1.738 698 H SER 77 H SER 77 8.741 6.661 6.302 699 HA SER 77 HA SER 77 10.055 4.899 7.967 700 1HB SER 77 2HB SER 77 10.095 7.367 8.196 701 2HB SER 77 1HB SER 77 8.427 7.345 8.737 702 HG SER 77 HG SER 77 10.012 7.528 10.376 703 QB SER 77 QB SER 77 9.261 7.356 8.467 704 H HIS 78 H HIS 78 6.594 5.742 8.020 705 HA HIS 78 HA HIS 78 5.772 4.126 10.214 706 1HB HIS 78 2HB HIS 78 4.241 5.048 7.780 707 2HB HIS 78 1HB HIS 78 3.507 4.058 9.018 708 HD1 HIS 78 1HD HIS 78 1.885 5.617 9.948 709 HD2 HIS 78 2HD HIS 78 5.635 7.338 9.688 710 HE1 HIS 78 1HE HIS 78 1.638 7.911 10.942 711 HE2 HIS 78 2HE HIS 78 3.776 9.023 10.315 712 QB HIS 78 QB HIS 78 3.874 4.553 8.399 713 H ILE 79 H ILE 79 5.987 3.413 6.772 714 HA ILE 79 HA ILE 79 4.769 0.795 7.139 715 HB ILE 79 HB ILE 79 5.981 1.689 4.530 716 1HG1 ILE 79 2HG1 ILE 79 3.244 2.396 5.592 717 2HG1 ILE 79 1HG1 ILE 79 4.531 3.535 5.238 718 1HG2 ILE 79 3HG2 ILE 79 5.173 -0.588 4.906 719 2HG2 ILE 79 2HG2 ILE 79 3.582 0.068 5.315 720 3HG2 ILE 79 1HG2 ILE 79 4.209 0.246 3.667 721 1HD1 ILE 79 1HD1 ILE 79 4.420 2.925 2.870 722 2HD1 ILE 79 3HD1 ILE 79 3.101 1.806 3.232 723 3HD1 ILE 79 2HD1 ILE 79 2.881 3.543 3.467 724 MG ILE 79 QG2 ILE 79 4.321 -0.091 4.629 725 MD ILE 79 QD1 ILE 79 3.467 2.758 3.190 726 QG ILE 79 QG1 ILE 79 3.888 2.965 5.415 727 H GLN 80 H GLN 80 7.986 2.034 6.385 728 HA GLN 80 HA GLN 80 9.145 -0.468 5.924 729 1HB GLN 80 2HB GLN 80 10.415 2.137 6.785 730 2HB GLN 80 1HB GLN 80 11.313 0.710 6.271 731 1HG GLN 80 2HG GLN 80 9.415 2.347 4.523 732 2HG GLN 80 1HG GLN 80 11.127 2.217 4.360 733 1HE2 GLN 80 1HE2 GLN 80 8.241 0.656 3.968 734 2HE2 GLN 80 2HE2 GLN 80 8.949 -0.601 2.991 735 QB GLN 80 QB GLN 80 10.864 1.424 6.528 736 QG GLN 80 QG GLN 80 10.271 2.282 4.441 737 QE GLN 80 QE2 GLN 80 8.595 0.028 3.480 738 H ARG 81 H ARG 81 8.325 1.193 8.806 739 HA ARG 81 HA ARG 81 9.735 -0.570 10.567 740 1HB ARG 81 2HB ARG 81 7.709 1.591 10.804 741 2HB ARG 81 1HB ARG 81 7.770 0.415 12.096 742 1HG ARG 81 2HG ARG 81 9.047 2.457 12.550 743 2HG ARG 81 1HG ARG 81 10.018 0.984 12.613 744 1HD ARG 81 2HD ARG 81 11.035 1.494 10.532 745 2HD ARG 81 1HD ARG 81 9.889 2.806 10.223 746 HE ARG 81 HE ARG 81 11.246 3.259 12.634 747 1HH1 ARG 81 1HH1 ARG 81 12.047 3.261 9.177 748 2HH1 ARG 81 2HH1 ARG 81 13.097 4.592 9.306 749 1HH2 ARG 81 1HH2 ARG 81 12.675 5.041 12.784 750 2HH2 ARG 81 2HH2 ARG 81 13.485 5.617 11.385 751 QB ARG 81 QB ARG 81 7.740 1.003 11.450 752 QG ARG 81 QG ARG 81 9.533 1.721 12.582 753 QD ARG 81 QD ARG 81 10.462 2.150 10.378 754 QH1 ARG 81 QH1 ARG 81 12.572 3.927 9.242 755 QH2 ARG 81 QH2 ARG 81 13.080 5.329 12.085 756 H ASP 82 H ASP 82 8.044 -1.772 8.416 757 HA ASP 82 HA ASP 82 5.772 -2.771 8.805 758 1HB ASP 82 2HB ASP 82 6.646 -3.406 7.038 759 2HB ASP 82 1HB ASP 82 8.173 -4.079 7.636 760 QB ASP 82 QB ASP 82 7.410 -3.743 7.337 761 H ARG 83 H ARG 83 4.787 -4.176 9.398 762 HA ARG 83 HA ARG 83 5.162 -5.817 11.738 763 1HB ARG 83 2HB ARG 83 3.639 -4.295 13.155 764 2HB ARG 83 1HB ARG 83 5.321 -3.810 12.952 765 1HG ARG 83 2HG ARG 83 4.599 -2.333 11.091 766 2HG ARG 83 1HG ARG 83 2.930 -2.702 11.485 767 1HD ARG 83 2HD ARG 83 4.901 -1.471 13.430 768 2HD ARG 83 1HD ARG 83 3.668 -0.570 12.550 769 HE ARG 83 HE ARG 83 2.149 -2.325 13.756 770 1HH1 ARG 83 1HH1 ARG 83 4.892 -0.575 15.205 771 2HH1 ARG 83 2HH1 ARG 83 4.212 -0.546 16.761 772 1HH2 ARG 83 1HH2 ARG 83 1.240 -2.257 15.887 773 2HH2 ARG 83 2HH2 ARG 83 2.082 -1.506 17.163 774 QB ARG 83 QB ARG 83 4.480 -4.052 13.054 775 QG ARG 83 QG ARG 83 3.764 -2.518 11.288 776 QD ARG 83 QD ARG 83 4.284 -1.021 12.990 777 QH1 ARG 83 QH1 ARG 83 4.552 -0.561 15.983 778 QH2 ARG 83 QH2 ARG 83 1.661 -1.881 16.525 779 H ARG 84 H ARG 84 3.863 -5.678 8.985 780 HA ARG 84 HA ARG 84 1.202 -6.641 9.715 781 1HB ARG 84 2HB ARG 84 1.683 -4.648 7.489 782 2HB ARG 84 1HB ARG 84 0.158 -5.373 7.912 783 1HG ARG 84 2HG ARG 84 1.700 -3.478 9.662 784 2HG ARG 84 1HG ARG 84 0.415 -2.999 8.567 785 1HD ARG 84 2HD ARG 84 -1.119 -4.522 9.852 786 2HD ARG 84 1HD ARG 84 0.190 -4.747 11.022 787 HE ARG 84 HE ARG 84 0.119 -2.141 10.840 788 1HH1 ARG 84 1HH1 ARG 84 -2.458 -4.471 11.711 789 2HH1 ARG 84 2HH1 ARG 84 -3.503 -3.239 12.255 790 1HH2 ARG 84 1HH2 ARG 84 -1.416 -0.490 11.662 791 2HH2 ARG 84 2HH2 ARG 84 -2.931 -1.004 12.223 792 QB ARG 84 QB ARG 84 0.920 -5.010 7.700 793 QG ARG 84 QG ARG 84 1.058 -3.239 9.114 794 QD ARG 84 QD ARG 84 -0.465 -4.635 10.437 795 QH1 ARG 84 QH1 ARG 84 -2.980 -3.855 11.983 796 QH2 ARG 84 QH2 ARG 84 -2.173 -0.747 11.943 797 H HIS 85 H HIS 85 2.984 -5.714 6.877 798 HA HIS 85 HA HIS 85 2.287 -8.079 5.434 799 1HB HIS 85 2HB HIS 85 3.243 -6.796 3.473 800 2HB HIS 85 1HB HIS 85 1.885 -6.028 4.257 801 HD1 HIS 85 1HD HIS 85 2.712 -3.723 3.106 802 HD2 HIS 85 2HD HIS 85 5.383 -5.214 5.939 803 HE1 HIS 85 1HE HIS 85 4.436 -1.932 3.768 804 HE2 HIS 85 2HE HIS 85 5.606 -2.829 5.595 805 QB HIS 85 QB HIS 85 2.564 -6.412 3.865 806 H SER 86 H SER 86 4.509 -8.053 3.705 807 HA SER 86 HA SER 86 6.528 -8.855 5.551 808 1HB SER 86 2HB SER 86 5.137 -9.987 3.554 809 2HB SER 86 1HB SER 86 6.848 -10.620 3.588 810 HG SER 86 HG SER 86 5.516 -10.357 5.974 811 QB SER 86 QB SER 86 5.992 -10.303 3.571 812 H ASN 87 H ASN 87 8.154 -7.689 5.324 813 HA ASN 87 HA ASN 87 10.115 -6.894 4.652 814 1HB ASN 87 2HB ASN 87 9.600 -8.363 2.102 815 2HB ASN 87 1HB ASN 87 11.018 -7.339 2.286 816 1HD2 ASN 87 1HD2 ASN 87 9.435 -10.245 3.308 817 2HD2 ASN 87 2HD2 ASN 87 10.791 -10.920 4.117 818 QB ASN 87 QB ASN 87 10.309 -7.851 2.194 819 QD ASN 87 QD2 ASN 87 10.113 -10.583 3.713 820 H VAL 88 H VAL 88 7.617 -5.946 2.837 821 HA VAL 88 HA VAL 88 7.353 -4.271 1.327 822 HB VAL 88 HB VAL 88 6.413 -3.559 3.392 823 1HG1 VAL 88 3HG1 VAL 88 8.092 -3.712 4.833 824 2HG1 VAL 88 2HG1 VAL 88 8.934 -2.251 4.117 825 3HG1 VAL 88 1HG1 VAL 88 7.263 -2.136 4.794 826 1HG2 VAL 88 2HG2 VAL 88 7.723 -1.378 1.816 827 2HG2 VAL 88 1HG2 VAL 88 6.049 -1.898 1.715 828 3HG2 VAL 88 3HG2 VAL 88 6.652 -0.997 3.128 829 MG1 VAL 88 QG1 VAL 88 8.096 -2.700 4.582 830 MG2 VAL 88 QG2 VAL 88 6.808 -1.425 2.219 831 QG VAL 88 QQG VAL 88 7.452 -2.062 3.401 832 H GLU 89 H GLU 89 8.999 -4.671 -0.121 833 HA GLU 89 HA GLU 89 11.361 -3.043 0.152 834 1HB GLU 89 2HB GLU 89 10.586 -5.018 -1.977 835 2HB GLU 89 1HB GLU 89 12.193 -4.344 -1.701 836 1HG GLU 89 2HG GLU 89 12.363 -5.416 0.405 837 2HG GLU 89 1HG GLU 89 10.657 -5.863 0.220 838 QB GLU 89 QB GLU 89 11.390 -4.681 -1.839 839 QG GLU 89 QG GLU 89 11.510 -5.639 0.313 840 H ILE 90 H ILE 90 10.321 -1.131 -0.073 841 HA ILE 90 HA ILE 90 8.879 0.059 -2.074 842 HB ILE 90 HB ILE 90 11.516 1.290 -1.310 843 1HG1 ILE 90 2HG1 ILE 90 10.674 0.474 0.770 844 2HG1 ILE 90 1HG1 ILE 90 10.450 2.214 0.726 845 1HG2 ILE 90 2HG2 ILE 90 8.757 2.472 -1.741 846 2HG2 ILE 90 1HG2 ILE 90 10.130 3.388 -1.211 847 3HG2 ILE 90 3HG2 ILE 90 10.153 2.678 -2.826 848 1HD1 ILE 90 3HD1 ILE 90 8.127 1.879 0.095 849 2HD1 ILE 90 2HD1 ILE 90 8.379 0.135 0.211 850 3HD1 ILE 90 1HD1 ILE 90 8.516 1.141 1.659 851 MG ILE 90 QG2 ILE 90 9.680 2.846 -1.926 852 MD ILE 90 QD1 ILE 90 8.341 1.052 0.655 853 QG ILE 90 QG1 ILE 90 10.562 1.344 0.748 854 H LEU 91 H LEU 91 12.262 0.091 -2.382 855 HA LEU 91 HA LEU 91 13.702 -0.427 -4.014 856 1HB LEU 91 2HB LEU 91 11.416 -2.004 -5.188 857 2HB LEU 91 1HB LEU 91 13.051 -2.042 -5.810 858 HG LEU 91 HG LEU 91 12.161 -3.031 -3.068 859 1HD1 LEU 91 1HD1 LEU 91 13.106 -4.502 -5.514 860 2HD1 LEU 91 3HD1 LEU 91 12.735 -5.215 -3.943 861 3HD1 LEU 91 2HD1 LEU 91 11.456 -4.457 -4.893 862 1HD2 LEU 91 2HD2 LEU 91 14.884 -3.048 -4.382 863 2HD2 LEU 91 1HD2 LEU 91 14.427 -2.099 -2.970 864 3HD2 LEU 91 3HD2 LEU 91 14.465 -3.859 -2.873 865 MD1 LEU 91 QD1 LEU 91 12.432 -4.724 -4.783 866 MD2 LEU 91 QD2 LEU 91 14.592 -3.002 -3.408 867 QB LEU 91 QB LEU 91 12.234 -2.023 -5.499 868 QD LEU 91 QQD LEU 91 13.512 -3.863 -4.096 869 H ALA 92 H ALA 92 10.718 1.015 -4.837 870 HA ALA 92 HA ALA 92 12.019 2.421 -7.069 871 1HB ALA 92 2HB ALA 92 10.441 0.836 -7.978 872 2HB ALA 92 3HB ALA 92 9.813 2.484 -8.156 873 3HB ALA 92 1HB ALA 92 9.199 1.438 -6.877 874 MB ALA 92 QB ALA 92 9.818 1.586 -7.670 875 H GLU 93 H GLU 93 12.306 4.413 -6.391 876 HA GLU 93 HA GLU 93 9.983 5.807 -5.300 877 1HB GLU 93 2HB GLU 93 12.871 6.403 -4.461 878 2HB GLU 93 1HB GLU 93 11.383 7.171 -3.915 879 1HG GLU 93 2HG GLU 93 10.644 5.303 -2.854 880 2HG GLU 93 1HG GLU 93 12.042 4.344 -3.377 881 QB GLU 93 QB GLU 93 12.127 6.787 -4.188 882 QG GLU 93 QG GLU 93 11.343 4.824 -3.115 883 H GLU 94 H GLU 94 9.371 7.119 -6.850 884 HA GLU 94 HA GLU 94 11.444 8.328 -8.538 885 1HB GLU 94 2HB GLU 94 9.732 8.262 -10.386 886 2HB GLU 94 1HB GLU 94 10.361 6.698 -9.890 887 1HG GLU 94 2HG GLU 94 8.332 6.297 -8.586 888 2HG GLU 94 1HG GLU 94 7.719 7.878 -9.072 889 QB GLU 94 QB GLU 94 10.046 7.480 -10.138 890 QG GLU 94 QG GLU 94 8.025 7.087 -8.829 891 H SER 95 H SER 95 11.254 10.508 -8.959 892 HA SER 95 HA SER 95 9.335 11.897 -7.372 893 1HB SER 95 2HB SER 95 11.580 12.820 -7.635 894 2HB SER 95 1HB SER 95 11.317 13.031 -9.372 895 HG SER 95 HG SER 95 9.478 14.131 -7.568 896 QB SER 95 QB SER 95 11.448 12.926 -8.504 897 H ILE 96 H ILE 96 7.440 12.482 -7.967 898 HA ILE 96 HA ILE 96 6.743 12.366 -10.837 899 HB ILE 96 HB ILE 96 4.549 11.783 -10.230 900 1HG1 ILE 96 2HG1 ILE 96 5.612 11.095 -7.499 901 2HG1 ILE 96 1HG1 ILE 96 4.777 12.599 -7.825 902 1HG2 ILE 96 2HG2 ILE 96 6.158 10.114 -10.971 903 2HG2 ILE 96 1HG2 ILE 96 6.698 9.871 -9.312 904 3HG2 ILE 96 3HG2 ILE 96 5.065 9.385 -9.789 905 1HD1 ILE 96 2HD1 ILE 96 3.448 10.009 -8.476 906 2HD1 ILE 96 1HD1 ILE 96 3.523 10.665 -6.813 907 3HD1 ILE 96 3HD1 ILE 96 2.807 11.609 -8.079 908 MG ILE 96 QG2 ILE 96 5.974 9.790 -10.024 909 MD ILE 96 QD1 ILE 96 3.259 10.761 -7.789 910 QG ILE 96 QG1 ILE 96 5.195 11.847 -7.662 911 H ALA 97 H ALA 97 4.651 13.411 -11.353 912 HA ALA 97 HA ALA 97 4.422 15.955 -9.937 913 1HB ALA 97 3HB ALA 97 5.056 16.148 -12.302 914 2HB ALA 97 2HB ALA 97 3.571 15.200 -12.643 915 3HB ALA 97 1HB ALA 97 3.433 16.815 -11.927 916 MB ALA 97 QB ALA 97 4.020 16.055 -12.291 917 H LYS 98 H LYS 98 3.371 13.254 -9.917 918 HA LYS 98 HA LYS 98 1.550 12.059 -9.274 919 1HB LYS 98 2HB LYS 98 1.973 14.042 -7.791 920 2HB LYS 98 1HB LYS 98 0.531 14.664 -8.533 921 1HG LYS 98 2HG LYS 98 -0.059 12.063 -7.781 922 2HG LYS 98 1HG LYS 98 1.035 12.772 -6.642 923 1HD LYS 98 2HD LYS 98 -0.800 14.747 -7.049 924 2HD LYS 98 1HD LYS 98 -1.706 13.254 -6.659 925 1HE LYS 98 2HE LYS 98 -0.096 12.873 -4.961 926 2HE LYS 98 1HE LYS 98 0.589 14.475 -5.294 927 1HZ LYS 98 2HZ LYS 98 -2.256 14.046 -4.526 928 2HZ LYS 98 1HZ LYS 98 -1.087 14.521 -3.399 929 3HZ LYS 98 3HZ LYS 98 -1.502 15.515 -4.705 930 QB LYS 98 QB LYS 98 1.252 14.353 -8.162 931 QD LYS 98 QD LYS 98 -1.253 14.001 -6.854 932 QG LYS 98 QG LYS 98 0.488 12.418 -7.212 933 QE LYS 98 QE LYS 98 0.247 13.674 -5.128 934 QZ LYS 98 QZ LYS 98 -1.615 14.694 -4.210 935 H ARG 99 H ARG 99 -0.983 12.748 -9.147 936 HA ARG 99 HA ARG 99 -2.902 13.380 -10.145 937 1HB ARG 99 2HB ARG 99 -1.739 15.177 -11.396 938 2HB ARG 99 1HB ARG 99 -1.267 14.028 -12.617 939 1HG ARG 99 2HG ARG 99 -3.091 15.426 -13.380 940 2HG ARG 99 1HG ARG 99 -3.607 13.747 -13.260 941 1HD ARG 99 2HD ARG 99 -4.793 14.178 -11.234 942 2HD ARG 99 1HD ARG 99 -4.104 15.798 -11.105 943 HE ARG 99 HE ARG 99 -6.275 14.936 -12.817 944 1HH1 ARG 99 1HH1 ARG 99 -3.944 17.474 -11.997 945 2HH1 ARG 99 2HH1 ARG 99 -4.666 18.622 -13.043 946 1HH2 ARG 99 1HH2 ARG 99 -7.334 16.618 -14.100 947 2HH2 ARG 99 2HH2 ARG 99 -6.620 18.187 -14.115 948 QB ARG 99 QB ARG 99 -1.503 14.603 -12.006 949 QG ARG 99 QG ARG 99 -3.349 14.587 -13.320 950 QD ARG 99 QD ARG 99 -4.448 14.988 -11.169 951 QH1 ARG 99 QH1 ARG 99 -4.305 18.048 -12.520 952 QH2 ARG 99 QH2 ARG 99 -6.977 17.403 -14.107 953 H ARG 100 H ARG 100 -1.437 10.797 -10.173 954 HA ARG 100 HA ARG 100 -2.752 9.463 -12.356 955 1HB ARG 100 2HB ARG 100 -1.332 8.364 -9.939 956 2HB ARG 100 1HB ARG 100 -1.768 7.461 -11.391 957 1HG ARG 100 2HG ARG 100 -0.273 8.749 -12.725 958 2HG ARG 100 1HG ARG 100 0.006 9.844 -11.357 959 1HD ARG 100 2HD ARG 100 1.114 8.092 -10.123 960 2HD ARG 100 1HD ARG 100 0.668 6.892 -11.332 961 HE ARG 100 HE ARG 100 2.116 8.606 -12.761 962 1HH1 ARG 100 1HH1 ARG 100 2.807 7.265 -9.555 963 2HH1 ARG 100 2HH1 ARG 100 4.449 6.963 -9.891 964 1HH2 ARG 100 1HH2 ARG 100 4.413 8.253 -13.156 965 2HH2 ARG 100 2HH2 ARG 100 5.394 7.573 -11.919 966 QB ARG 100 QB ARG 100 -1.550 7.912 -10.665 967 QG ARG 100 QG ARG 100 -0.134 9.297 -12.041 968 QD ARG 100 QD ARG 100 0.891 7.492 -10.728 969 QH1 ARG 100 QH1 ARG 100 3.628 7.114 -9.723 970 QH2 ARG 100 QH2 ARG 100 4.903 7.913 -12.537 971 H PHE 101 H PHE 101 -2.998 9.620 -8.813 972 HA PHE 101 HA PHE 101 -5.841 8.978 -9.043 973 1HB PHE 101 2HB PHE 101 -3.837 8.048 -6.959 974 2HB PHE 101 1HB PHE 101 -5.578 7.964 -6.713 975 HD1 PHE 101 1HD PHE 101 -6.742 6.072 -7.375 976 HD2 PHE 101 2HD PHE 101 -2.900 6.819 -9.046 977 HE1 PHE 101 1HE PHE 101 -6.798 3.887 -8.498 978 HE2 PHE 101 2HE PHE 101 -2.965 4.642 -10.170 979 HZ PHE 101 HZ PHE 101 -4.893 3.169 -9.894 980 QB PHE 101 QB PHE 101 -4.707 8.006 -6.836 981 QD PHE 101 QD PHE 101 -4.821 6.446 -8.211 982 QE PHE 101 QE PHE 101 -4.882 4.264 -9.334 983 QR PHE 101 QR PHE 101 -4.860 4.918 -8.997 984 H ALA 102 H ALA 102 -7.036 9.862 -7.101 985 HA ALA 102 HA ALA 102 -5.770 12.334 -6.157 986 1HB ALA 102 1HB ALA 102 -7.573 12.799 -7.749 987 2HB ALA 102 3HB ALA 102 -8.690 11.882 -6.741 988 3HB ALA 102 2HB ALA 102 -7.981 13.379 -6.135 989 MB ALA 102 QB ALA 102 -8.081 12.686 -6.875 990 H GLY 103 H GLY 103 -6.916 9.375 -5.287 991 1HA GLY 103 1HA GLY 103 -8.160 9.299 -2.982 992 2HA GLY 103 2HA GLY 103 -6.633 10.040 -2.494 993 QA GLY 103 QA GLY 103 -7.397 9.670 -2.738 994 H TRP 104 H TRP 104 -6.005 8.142 -1.274 995 HA TRP 104 HA TRP 104 -4.884 6.064 -2.878 996 1HB TRP 104 2HB TRP 104 -3.561 6.718 -0.970 997 2HB TRP 104 1HB TRP 104 -4.928 6.588 0.110 998 HD1 TRP 104 HD TRP 104 -1.997 4.570 -1.191 999 HE1 TRP 104 1HE TRP 104 -2.093 2.229 -0.131 1000 HE3 TRP 104 3HE TRP 104 -6.645 4.790 0.883 1001 HZ2 TRP 104 2HZ TRP 104 -3.988 0.701 1.411 1002 HZ3 TRP 104 3HZ TRP 104 -7.497 3.115 2.012 1003 HH2 TRP 104 HH TRP 104 -6.309 1.039 2.347 1004 QB TRP 104 QB TRP 104 -4.244 6.653 -0.430 1005 H HIS 105 H HIS 105 -5.457 3.854 -2.926 1006 HA HIS 105 HA HIS 105 -8.223 3.337 -2.067 1007 1HB HIS 105 2HB HIS 105 -6.864 2.943 -4.668 1008 2HB HIS 105 1HB HIS 105 -8.305 1.989 -4.262 1009 HD1 HIS 105 1HD HIS 105 -7.174 5.233 -5.585 1010 HD2 HIS 105 2HD HIS 105 -10.663 3.677 -3.958 1011 HE1 HIS 105 1HE HIS 105 -9.011 6.787 -6.294 1012 HE2 HIS 105 2HE HIS 105 -11.075 5.910 -5.143 1013 QB HIS 105 QB HIS 105 -7.584 2.466 -4.465 1014 H MET 106 H MET 106 -8.649 1.201 -1.494 1015 HA MET 106 HA MET 106 -6.301 -0.540 -1.271 1016 1HB MET 106 2HB MET 106 -8.040 0.125 0.689 1017 2HB MET 106 1HB MET 106 -8.970 -1.164 -0.044 1018 1HG MET 106 2HG MET 106 -6.204 -1.416 1.110 1019 2HG MET 106 1HG MET 106 -7.693 -1.948 1.866 1020 1HE MET 106 3HE MET 106 -6.528 -4.216 2.317 1021 2HE MET 106 2HE MET 106 -5.813 -5.275 1.078 1022 3HE MET 106 1HE MET 106 -5.073 -3.716 1.456 1023 QB MET 106 QB MET 106 -8.505 -0.520 0.323 1024 QG MET 106 QG MET 106 -6.949 -1.682 1.488 1025 ME MET 106 QE MET 106 -5.805 -4.402 1.617 1026 H GLN 107 H GLN 107 -6.489 -2.578 -2.307 1027 HA GLN 107 HA GLN 107 -8.009 -2.510 -4.703 1028 1HB GLN 107 2HB GLN 107 -5.754 -3.638 -4.351 1029 2HB GLN 107 1HB GLN 107 -6.612 -4.934 -3.543 1030 1HG GLN 107 2HG GLN 107 -7.138 -4.139 -6.408 1031 2HG GLN 107 1HG GLN 107 -5.933 -5.327 -5.955 1032 1HE2 GLN 107 1HE2 GLN 107 -9.316 -4.666 -6.330 1033 2HE2 GLN 107 2HE2 GLN 107 -9.851 -6.276 -6.067 1034 QB GLN 107 QB GLN 107 -6.183 -4.286 -3.947 1035 QG GLN 107 QG GLN 107 -6.535 -4.733 -6.182 1036 QE GLN 107 QE2 GLN 107 -9.583 -5.471 -6.198 1037 H LEU 108 H LEU 108 -8.114 -5.020 -2.207 1038 HA LEU 108 HA LEU 108 -10.861 -5.449 -3.010 1039 1HB LEU 108 2HB LEU 108 -10.766 -7.669 -1.890 1040 2HB LEU 108 1HB LEU 108 -9.657 -7.489 -3.212 1041 HG LEU 108 HG LEU 108 -8.668 -8.849 -1.514 1042 1HD1 LEU 108 2HD1 LEU 108 -7.107 -7.428 -2.670 1043 2HD1 LEU 108 1HD1 LEU 108 -7.257 -6.213 -1.402 1044 3HD1 LEU 108 3HD1 LEU 108 -6.581 -7.798 -1.028 1045 1HD2 LEU 108 1HD2 LEU 108 -9.106 -6.609 0.445 1046 2HD2 LEU 108 3HD2 LEU 108 -9.912 -8.178 0.435 1047 3HD2 LEU 108 2HD2 LEU 108 -8.181 -8.078 0.767 1048 MD1 LEU 108 QD1 LEU 108 -6.982 -7.146 -1.700 1049 MD2 LEU 108 QD2 LEU 108 -9.066 -7.622 0.549 1050 QB LEU 108 QB LEU 108 -10.211 -7.579 -2.551 1051 QD LEU 108 QQD LEU 108 -8.024 -7.384 -0.576 1052 H SER 109 H SER 109 -9.085 -4.206 -0.440 1053 HA SER 109 HA SER 109 -9.561 -3.244 1.484 1054 1HB SER 109 2HB SER 109 -12.460 -3.415 0.623 1055 2HB SER 109 1HB SER 109 -11.818 -2.369 1.895 1056 HG SER 109 HG SER 109 -11.945 -1.951 -0.719 1057 QB SER 109 QB SER 109 -12.139 -2.892 1.259 1058 H CYS 110 H CYS 110 -12.100 -5.656 1.063 1059 HA CYS 110 HA CYS 110 -11.144 -7.059 3.435 1060 1HB CYS 110 2HB CYS 110 -13.032 -5.641 4.202 1061 2HB CYS 110 1HB CYS 110 -14.043 -6.300 2.928 1062 HG CYS 110 HG CYS 110 -14.362 -7.215 5.767 1063 QB CYS 110 QB CYS 110 -13.537 -5.970 3.565 1064 H SER 111 H SER 111 -13.605 -7.030 0.841 1065 HA SER 111 HA SER 111 -12.556 -9.178 -0.566 1066 1HB SER 111 2HB SER 111 -14.528 -10.733 -0.161 1067 2HB SER 111 1HB SER 111 -13.429 -10.606 1.212 1068 HG SER 111 HG SER 111 -15.806 -10.438 1.560 1069 QB SER 111 QB SER 111 -13.979 -10.669 0.526 1070 H GLU 112 H GLU 112 -14.483 -9.812 -2.217 1071 HA GLU 112 HA GLU 112 -15.974 -7.360 -2.662 1072 1HB GLU 112 2HB GLU 112 -16.170 -8.455 -5.098 1073 2HB GLU 112 1HB GLU 112 -14.814 -7.449 -4.649 1074 1HG GLU 112 2HG GLU 112 -14.187 -9.500 -5.906 1075 2HG GLU 112 1HG GLU 112 -13.405 -9.367 -4.333 1076 QB GLU 112 QB GLU 112 -15.492 -7.952 -4.874 1077 QG GLU 112 QG GLU 112 -13.796 -9.434 -5.119 1078 H ALA 113 H ALA 113 -16.154 -10.841 -2.586 1079 HA ALA 113 HA ALA 113 -17.795 -12.297 -2.110 1080 1HB ALA 113 1HB ALA 113 -19.703 -11.607 -0.779 1081 2HB ALA 113 2HB ALA 113 -19.397 -9.915 -1.177 1082 3HB ALA 113 3HB ALA 113 -18.241 -10.812 -0.193 1083 MB ALA 113 QB ALA 113 -19.114 -10.778 -0.716 1084 H ASP 114 H ASP 114 -17.689 -10.799 -4.680 1085 HA ASP 114 HA ASP 114 -20.434 -11.424 -5.584 1086 1HB ASP 114 2HB ASP 114 -20.084 -8.988 -5.523 1087 2HB ASP 114 1HB ASP 114 -18.725 -9.161 -6.623 1088 QB ASP 114 QB ASP 114 -19.404 -9.074 -6.073 1089 H MET 115 H MET 115 -17.015 -11.532 -6.277 1090 HA MET 115 HA MET 115 -17.531 -12.957 -8.780 1091 1HB MET 115 2HB MET 115 -14.892 -12.206 -7.482 1092 2HB MET 115 1HB MET 115 -15.108 -12.861 -9.092 1093 1HG MET 115 2HG MET 115 -16.033 -10.153 -8.158 1094 2HG MET 115 1HG MET 115 -14.579 -10.480 -9.093 1095 1HE MET 115 3HE MET 115 -16.710 -8.334 -9.928 1096 2HE MET 115 2HE MET 115 -15.272 -8.699 -10.882 1097 3HE MET 115 1HE MET 115 -16.850 -8.647 -11.659 1098 QB MET 115 QB MET 115 -15.000 -12.534 -8.287 1099 QG MET 115 QG MET 115 -15.306 -10.317 -8.626 1100 ME MET 115 QE MET 115 -16.277 -8.560 -10.823 1101 H ARG 116 H ARG 116 -15.858 -13.128 -5.699 1102 HA ARG 116 HA ARG 116 -15.250 -14.708 -4.294 1103 1HB ARG 116 2HB ARG 116 -17.214 -16.393 -5.793 1104 2HB ARG 116 1HB ARG 116 -16.196 -17.082 -4.534 1105 1HG ARG 116 2HG ARG 116 -18.308 -16.643 -3.564 1106 2HG ARG 116 1HG ARG 116 -17.223 -15.401 -2.955 1107 1HD ARG 116 2HD ARG 116 -19.351 -14.443 -3.531 1108 2HD ARG 116 1HD ARG 116 -18.105 -13.855 -4.628 1109 HE ARG 116 HE ARG 116 -19.063 -15.915 -6.012 1110 1HH1 ARG 116 1HH1 ARG 116 -20.892 -13.399 -4.280 1111 2HH1 ARG 116 2HH1 ARG 116 -22.170 -13.399 -5.400 1112 1HH2 ARG 116 1HH2 ARG 116 -20.860 -15.854 -7.545 1113 2HH2 ARG 116 2HH2 ARG 116 -22.143 -14.764 -7.243 1114 QB ARG 116 QB ARG 116 -16.705 -16.737 -5.164 1115 QG ARG 116 QG ARG 116 -17.765 -16.022 -3.260 1116 QD ARG 116 QD ARG 116 -18.728 -14.149 -4.079 1117 QH1 ARG 116 QH1 ARG 116 -21.531 -13.399 -4.840 1118 QH2 ARG 116 QH2 ARG 116 -21.502 -15.309 -7.394 1119 H SER 117 H SER 117 -14.654 -14.982 -7.543 1120 HA SER 117 HA SER 117 -13.152 -17.325 -7.776 1121 1HB SER 117 2HB SER 117 -12.993 -14.800 -9.413 1122 2HB SER 117 1HB SER 117 -12.566 -16.432 -9.928 1123 HG SER 117 HG SER 117 -14.668 -17.019 -9.882 1124 QB SER 117 QB SER 117 -12.779 -15.616 -9.670 1125 H LEU 118 H LEU 118 -12.360 -14.511 -6.130 1126 HA LEU 118 HA LEU 118 -9.534 -14.522 -6.722 1127 1HB LEU 118 2HB LEU 118 -11.018 -13.145 -4.473 1128 2HB LEU 118 1HB LEU 118 -9.341 -12.879 -4.890 1129 HG LEU 118 HG LEU 118 -11.737 -12.170 -6.593 1130 1HD1 LEU 118 3HD1 LEU 118 -11.455 -10.703 -4.680 1131 2HD1 LEU 118 2HD1 LEU 118 -9.769 -10.436 -5.110 1132 3HD1 LEU 118 1HD1 LEU 118 -11.053 -9.865 -6.177 1133 1HD2 LEU 118 2HD2 LEU 118 -8.793 -11.739 -7.110 1134 2HD2 LEU 118 1HD2 LEU 118 -9.857 -12.823 -8.003 1135 3HD2 LEU 118 3HD2 LEU 118 -10.109 -11.078 -8.082 1136 MD1 LEU 118 QD1 LEU 118 -10.759 -10.335 -5.323 1137 MD2 LEU 118 QD2 LEU 118 -9.586 -11.880 -7.732 1138 QB LEU 118 QB LEU 118 -10.180 -13.012 -4.682 1139 QD LEU 118 QQD LEU 118 -10.173 -11.107 -6.527 1140 H GLY 119 H GLY 119 -11.390 -15.177 -3.762 1141 1HA GLY 119 1HA GLY 119 -9.382 -16.229 -2.220 1142 2HA GLY 119 2HA GLY 119 -9.985 -17.575 -3.175 1143 QA GLY 119 QA GLY 119 -9.684 -16.902 -2.698 1144 H LEU 120 H LEU 120 -12.636 -17.077 -3.322 1145 HA LEU 120 HA LEU 120 -13.432 -17.094 -0.488 1146 1HB LEU 120 2HB LEU 120 -14.938 -15.850 -2.763 1147 2HB LEU 120 1HB LEU 120 -15.682 -16.241 -1.239 1148 HG LEU 120 HG LEU 120 -14.105 -14.595 -0.145 1149 1HD1 LEU 120 3HD1 LEU 120 -12.366 -14.515 -1.858 1150 2HD1 LEU 120 2HD1 LEU 120 -13.505 -13.783 -2.986 1151 3HD1 LEU 120 1HD1 LEU 120 -13.025 -12.914 -1.531 1152 1HD2 LEU 120 3HD2 LEU 120 -15.995 -13.589 -2.262 1153 2HD2 LEU 120 2HD2 LEU 120 -16.400 -14.042 -0.605 1154 3HD2 LEU 120 1HD2 LEU 120 -15.381 -12.639 -0.908 1155 MD1 LEU 120 QD1 LEU 120 -12.965 -13.738 -2.125 1156 MD2 LEU 120 QD2 LEU 120 -15.925 -13.423 -1.259 1157 QB LEU 120 QB LEU 120 -15.310 -16.045 -2.001 1158 QD LEU 120 QQD LEU 120 -14.445 -13.581 -1.692 1159 H ALA 121 H ALA 121 -14.350 -18.112 -3.773 1160 HA ALA 121 HA ALA 121 -16.129 -19.989 -2.597 1161 1HB ALA 121 2HB ALA 121 -16.726 -20.619 -4.892 1162 2HB ALA 121 1HB ALA 121 -16.921 -18.891 -4.574 1163 3HB ALA 121 3HB ALA 121 -15.526 -19.471 -5.484 1164 MB ALA 121 QB ALA 121 -16.391 -19.661 -4.983 1165 H GLU 122 H GLU 122 -14.306 -20.942 -1.495 1166 HA GLU 122 HA GLU 122 -12.849 -22.914 -2.929 1167 1HB GLU 122 2HB GLU 122 -13.033 -21.886 -0.115 1168 2HB GLU 122 1HB GLU 122 -11.957 -23.153 -0.649 1169 1HG GLU 122 2HG GLU 122 -11.923 -20.295 -1.623 1170 2HG GLU 122 1HG GLU 122 -10.846 -20.948 -0.391 1171 QB GLU 122 QB GLU 122 -12.495 -22.520 -0.382 1172 QG GLU 122 QG GLU 122 -11.385 -20.621 -1.007 1173 H SER 123 H SER 123 -13.485 -25.080 -2.560 1174 HA SER 123 HA SER 123 -16.136 -25.426 -1.532 1175 1HB SER 123 2HB SER 123 -15.290 -26.618 -3.587 1176 2HB SER 123 1HB SER 123 -14.205 -27.533 -2.546 1177 HG SER 123 HG SER 123 -15.962 -28.758 -2.783 1178 QB SER 123 QB SER 123 -14.747 -27.076 -3.067 1179 H ARG 124 H ARG 124 -16.562 -25.911 0.477 1180 HA ARG 124 HA ARG 124 -14.451 -26.185 2.351 1181 1HB ARG 124 2HB ARG 124 -16.138 -26.286 4.134 1182 2HB ARG 124 1HB ARG 124 -16.373 -24.927 3.079 1183 1HG ARG 124 2HG ARG 124 -17.988 -27.472 2.947 1184 2HG ARG 124 1HG ARG 124 -18.475 -26.047 3.854 1185 1HD ARG 124 2HD ARG 124 -18.179 -26.337 0.864 1186 2HD ARG 124 1HD ARG 124 -19.640 -26.025 1.785 1187 HE ARG 124 HE ARG 124 -17.674 -23.993 2.147 1188 1HH1 ARG 124 1HH1 ARG 124 -20.297 -25.042 0.015 1189 2HH1 ARG 124 2HH1 ARG 124 -20.506 -23.512 -0.708 1190 1HH2 ARG 124 1HH2 ARG 124 -17.949 -21.909 1.144 1191 2HH2 ARG 124 2HH2 ARG 124 -19.115 -21.691 -0.070 1192 QB ARG 124 QB ARG 124 -16.255 -25.607 3.606 1193 QG ARG 124 QG ARG 124 -18.232 -26.759 3.401 1194 QD ARG 124 QD ARG 124 -18.910 -26.181 1.325 1195 QH1 ARG 124 QH1 ARG 124 -20.401 -24.277 -0.347 1196 QH2 ARG 124 QH2 ARG 124 -18.532 -21.800 0.537 1197 H GLN 125 H GLN 125 -16.258 -28.481 0.634 1198 HA GLN 125 HA GLN 125 -16.233 -30.723 0.541 1199 1HB GLN 125 2HB GLN 125 -13.880 -30.417 0.260 1200 2HB GLN 125 1HB GLN 125 -13.678 -30.225 1.991 1201 1HG GLN 125 2HG GLN 125 -14.258 -32.589 2.313 1202 2HG GLN 125 1HG GLN 125 -14.508 -32.768 0.579 1203 1HE2 GLN 125 1HE2 GLN 125 -11.891 -30.853 1.936 1204 2HE2 GLN 125 2HE2 GLN 125 -10.628 -31.929 1.462 1205 QB GLN 125 QB GLN 125 -13.779 -30.321 1.126 1206 QG GLN 125 QG GLN 125 -14.383 -32.679 1.446 1207 QE GLN 125 QE2 GLN 125 -11.259 -31.391 1.699 No H/Q in entry = 1207 Start of MODEL 14 1 H1 LEU 5 2HT LEU 5 -2.511 36.281 -22.087 2 H2 LEU 5 1HT LEU 5 -2.350 35.005 -23.136 3 H3 LEU 5 3HT LEU 5 -3.701 36.034 -23.254 4 HA LEU 5 HA LEU 5 -4.441 35.314 -21.093 5 1HB LEU 5 2HB LEU 5 -5.044 33.921 -23.084 6 2HB LEU 5 1HB LEU 5 -3.630 32.936 -22.766 7 HG LEU 5 HG LEU 5 -4.625 32.249 -20.601 8 1HD1 LEU 5 2HD1 LEU 5 -7.022 33.796 -21.574 9 2HD1 LEU 5 1HD1 LEU 5 -7.011 32.680 -20.204 10 3HD1 LEU 5 3HD1 LEU 5 -6.040 34.151 -20.152 11 1HD2 LEU 5 2HD2 LEU 5 -6.351 31.751 -23.022 12 2HD2 LEU 5 1HD2 LEU 5 -4.901 30.853 -22.580 13 3HD2 LEU 5 3HD2 LEU 5 -6.333 30.777 -21.555 14 MD1 LEU 5 QD1 LEU 5 -6.691 33.542 -20.643 15 MD2 LEU 5 QD2 LEU 5 -5.862 31.127 -22.386 16 QB LEU 5 QB LEU 5 -4.337 33.429 -22.925 17 QD LEU 5 QQD LEU 5 -6.276 32.335 -21.514 18 H GLU 6 H GLU 6 -3.954 34.347 -19.167 19 HA GLU 6 HA GLU 6 -1.189 34.253 -18.533 20 1HB GLU 6 2HB GLU 6 -3.047 35.141 -17.063 21 2HB GLU 6 1HB GLU 6 -3.464 33.439 -16.838 22 1HG GLU 6 2HG GLU 6 -2.145 34.567 -15.062 23 2HG GLU 6 1HG GLU 6 -1.468 33.032 -15.650 24 QB GLU 6 QB GLU 6 -3.255 34.290 -16.951 25 QG GLU 6 QG GLU 6 -1.807 33.799 -15.356 26 H ALA 7 H ALA 7 -0.123 32.537 -17.554 27 HA ALA 7 HA ALA 7 -0.187 30.142 -19.024 28 1HB ALA 7 2HB ALA 7 1.097 30.656 -16.344 29 2HB ALA 7 1HB ALA 7 1.467 29.319 -17.432 30 3HB ALA 7 3HB ALA 7 1.822 30.976 -17.917 31 MB ALA 7 QB ALA 7 1.462 30.317 -17.231 32 H ASP 8 H ASP 8 -0.843 28.086 -18.555 33 HA ASP 8 HA ASP 8 -3.186 27.781 -16.951 34 1HB ASP 8 2HB ASP 8 -2.730 26.509 -19.055 35 2HB ASP 8 1HB ASP 8 -1.438 25.660 -18.229 36 QB ASP 8 QB ASP 8 -2.084 26.085 -18.642 37 H VAL 9 H VAL 9 -3.385 26.593 -15.006 38 HA VAL 9 HA VAL 9 -1.404 26.866 -13.260 39 HB VAL 9 HB VAL 9 -2.691 25.416 -11.686 40 1HG1 VAL 9 2HG1 VAL 9 -4.244 27.479 -13.240 41 2HG1 VAL 9 1HG1 VAL 9 -4.668 26.871 -11.637 42 3HG1 VAL 9 3HG1 VAL 9 -3.175 27.783 -11.870 43 1HG2 VAL 9 3HG2 VAL 9 -4.437 25.108 -14.089 44 2HG2 VAL 9 2HG2 VAL 9 -3.501 23.838 -13.294 45 3HG2 VAL 9 1HG2 VAL 9 -4.876 24.585 -12.450 46 MG1 VAL 9 QG1 VAL 9 -4.029 27.378 -12.249 47 MG2 VAL 9 QG2 VAL 9 -4.271 24.511 -13.278 48 QG VAL 9 QQG VAL 9 -4.150 25.944 -12.763 49 H THR 10 H THR 10 -2.026 24.232 -15.398 50 HA THR 10 HA THR 10 -1.123 22.267 -15.883 51 HB THR 10 HB THR 10 1.214 21.999 -15.718 52 HG1 THR 10 1HG THR 10 1.043 24.023 -13.920 53 1HG2 THR 10 3HG2 THR 10 0.321 24.646 -16.839 54 2HG2 THR 10 2HG2 THR 10 1.850 23.871 -17.260 55 3HG2 THR 10 1HG2 THR 10 0.324 23.082 -17.655 56 MG THR 10 QG2 THR 10 0.832 23.866 -17.251 57 H MET 11 H MET 11 0.423 20.389 -15.058 58 HA MET 11 HA MET 11 -0.898 19.404 -12.747 59 1HB MET 11 2HB MET 11 1.288 18.280 -14.507 60 2HB MET 11 1HB MET 11 0.630 17.421 -13.127 61 1HG MET 11 2HG MET 11 -0.351 16.604 -15.153 62 2HG MET 11 1HG MET 11 -1.557 17.473 -14.215 63 1HE MET 11 2HE MET 11 -2.141 16.694 -17.129 64 2HE MET 11 1HE MET 11 -3.242 17.726 -16.222 65 3HE MET 11 3HE MET 11 -2.741 18.189 -17.850 66 QB MET 11 QB MET 11 0.959 17.850 -13.817 67 QG MET 11 QG MET 11 -0.954 17.038 -14.684 68 ME MET 11 QE MET 11 -2.708 17.536 -17.067 69 H THR 12 H THR 12 2.004 21.004 -13.475 70 HA THR 12 HA THR 12 3.799 21.684 -12.377 71 HB THR 12 HB THR 12 3.652 22.299 -10.104 72 HG1 THR 12 1HG THR 12 1.604 20.665 -10.008 73 1HG2 THR 12 2HG2 THR 12 1.400 23.267 -11.843 74 2HG2 THR 12 1HG2 THR 12 1.954 24.112 -10.396 75 3HG2 THR 12 3HG2 THR 12 3.044 23.895 -11.765 76 MG THR 12 QG2 THR 12 2.133 23.758 -11.335 77 H GLY 13 H GLY 13 5.259 20.258 -12.701 78 1HA GLY 13 1HA GLY 13 6.719 18.509 -12.228 79 2HA GLY 13 2HA GLY 13 5.567 17.923 -11.028 80 QA GLY 13 QA GLY 13 6.143 18.216 -11.628 81 H SER 14 H SER 14 5.318 19.451 -9.184 82 HA SER 14 HA SER 14 7.570 21.119 -8.603 83 1HB SER 14 2HB SER 14 5.235 21.841 -8.164 84 2HB SER 14 1HB SER 14 5.118 20.596 -6.925 85 HG SER 14 HG SER 14 6.553 21.668 -5.677 86 QB SER 14 QB SER 14 5.177 21.218 -7.545 87 H ASP 15 H ASP 15 5.939 18.919 -6.176 88 HA ASP 15 HA ASP 15 8.377 17.608 -5.775 89 1HB ASP 15 2HB ASP 15 7.919 18.140 -3.388 90 2HB ASP 15 1HB ASP 15 8.830 19.321 -4.345 91 QB ASP 15 QB ASP 15 8.375 18.730 -3.866 92 H LEU 16 H LEU 16 6.637 16.220 -6.783 93 HA LEU 16 HA LEU 16 5.494 14.744 -4.575 94 1HB LEU 16 2HB LEU 16 4.556 14.821 -7.424 95 2HB LEU 16 1HB LEU 16 3.878 13.860 -6.128 96 HG LEU 16 HG LEU 16 2.380 15.502 -6.462 97 1HD1 LEU 16 3HD1 LEU 16 2.775 15.300 -4.140 98 2HD1 LEU 16 2HD1 LEU 16 4.003 16.560 -4.202 99 3HD1 LEU 16 1HD1 LEU 16 2.318 16.957 -4.542 100 1HD2 LEU 16 2HD2 LEU 16 4.582 17.507 -6.755 101 2HD2 LEU 16 1HD2 LEU 16 3.460 16.857 -7.968 102 3HD2 LEU 16 3HD2 LEU 16 2.850 17.920 -6.696 103 MD1 LEU 16 QD1 LEU 16 3.032 16.272 -4.295 104 MD2 LEU 16 QD2 LEU 16 3.631 17.428 -7.140 105 QB LEU 16 QB LEU 16 4.217 14.341 -6.776 106 QD LEU 16 QQD LEU 16 3.331 16.850 -5.717 107 H VAL 17 H VAL 17 5.455 12.562 -4.814 108 HA VAL 17 HA VAL 17 7.450 11.564 -6.428 109 HB VAL 17 HB VAL 17 7.698 11.785 -3.448 110 1HG1 VAL 17 1HG1 VAL 17 8.842 9.754 -5.181 111 2HG1 VAL 17 3HG1 VAL 17 9.561 10.117 -3.584 112 3HG1 VAL 17 2HG1 VAL 17 7.860 9.543 -3.674 113 1HG2 VAL 17 3HG2 VAL 17 8.929 13.380 -4.884 114 2HG2 VAL 17 2HG2 VAL 17 10.011 12.389 -3.899 115 3HG2 VAL 17 1HG2 VAL 17 9.793 12.027 -5.608 116 MG1 VAL 17 QG1 VAL 17 8.754 9.805 -4.146 117 MG2 VAL 17 QG2 VAL 17 9.578 12.599 -4.797 118 QG VAL 17 QQG VAL 17 9.166 11.202 -4.472 119 H SER 18 H SER 18 7.225 9.247 -6.431 120 HA SER 18 HA SER 18 4.951 8.059 -5.005 121 1HB SER 18 2HB SER 18 5.744 7.520 -7.873 122 2HB SER 18 1HB SER 18 4.577 6.567 -6.964 123 HG SER 18 HG SER 18 3.755 8.914 -6.624 124 QB SER 18 QB SER 18 5.160 7.043 -7.419 125 H CYS 19 H CYS 19 5.787 6.690 -3.618 126 HA CYS 19 HA CYS 19 8.091 5.100 -4.407 127 1HB CYS 19 2HB CYS 19 6.610 5.296 -1.762 128 2HB CYS 19 1HB CYS 19 8.018 4.277 -2.050 129 HG CYS 19 HG CYS 19 9.800 6.081 -1.540 130 QB CYS 19 QB CYS 19 7.314 4.787 -1.906 131 H CYS 20 H CYS 20 7.735 3.191 -5.300 132 HA CYS 20 HA CYS 20 4.978 2.137 -5.190 133 1HB CYS 20 2HB CYS 20 7.045 1.839 -7.398 134 2HB CYS 20 1HB CYS 20 5.380 1.275 -7.440 135 HG CYS 20 HG CYS 20 6.347 3.984 -8.793 136 QB CYS 20 QB CYS 20 6.212 1.557 -7.419 137 H TYR 21 H TYR 21 5.074 0.334 -3.787 138 HA TYR 21 HA TYR 21 7.738 -0.876 -3.738 139 1HB TYR 21 2HB TYR 21 7.717 -1.098 -1.479 140 2HB TYR 21 1HB TYR 21 7.235 0.579 -1.794 141 HD1 TYR 21 1HD TYR 21 6.343 -2.759 -0.514 142 HD2 TYR 21 2HD TYR 21 5.150 1.317 -0.863 143 HE1 TYR 21 1HE TYR 21 4.719 -3.098 1.214 144 HE2 TYR 21 2HE TYR 21 3.500 0.959 0.914 145 HH TYR 21 HH TYR 21 2.279 -0.884 1.945 146 QB TYR 21 QB TYR 21 7.476 -0.260 -1.637 147 QD TYR 21 QD TYR 21 5.746 -0.721 -0.689 148 QE TYR 21 QE TYR 21 4.110 -1.069 1.064 149 QR TYR 21 QR TYR 21 4.928 -0.895 0.188 150 H ARG 22 H ARG 22 7.983 -2.893 -2.909 151 HA ARG 22 HA ARG 22 5.949 -4.855 -3.665 152 1HB ARG 22 2HB ARG 22 7.928 -5.147 -4.877 153 2HB ARG 22 1HB ARG 22 8.934 -4.743 -3.502 154 1HG ARG 22 2HG ARG 22 8.060 -6.900 -2.462 155 2HG ARG 22 1HG ARG 22 7.475 -7.296 -4.081 156 1HD ARG 22 2HD ARG 22 9.681 -7.106 -4.980 157 2HD ARG 22 1HD ARG 22 10.250 -6.473 -3.429 158 HE ARG 22 HE ARG 22 9.731 -8.669 -2.466 159 1HH1 ARG 22 1HH1 ARG 22 10.363 -8.499 -5.976 160 2HH1 ARG 22 2HH1 ARG 22 10.919 -10.102 -6.066 161 1HH2 ARG 22 1HH2 ARG 22 10.494 -10.869 -2.655 162 2HH2 ARG 22 2HH2 ARG 22 10.968 -11.487 -4.166 163 QB ARG 22 QB ARG 22 8.431 -4.945 -4.189 164 QG ARG 22 QG ARG 22 7.768 -7.098 -3.271 165 QD ARG 22 QD ARG 22 9.966 -6.790 -4.205 166 QH1 ARG 22 QH1 ARG 22 10.641 -9.301 -6.021 167 QH2 ARG 22 QH2 ARG 22 10.731 -11.178 -3.411 168 H SER 23 H SER 23 5.141 -6.103 -2.023 169 HA SER 23 HA SER 23 6.890 -6.767 0.123 170 1HB SER 23 2HB SER 23 5.027 -6.370 1.818 171 2HB SER 23 1HB SER 23 5.808 -4.927 1.185 172 HG SER 23 HG SER 23 3.895 -5.209 -0.445 173 QB SER 23 QB SER 23 5.418 -5.648 1.501 174 H LEU 24 H LEU 24 6.252 -8.639 1.134 175 HA LEU 24 HA LEU 24 4.326 -10.232 -0.503 176 1HB LEU 24 2HB LEU 24 6.805 -11.208 0.926 177 2HB LEU 24 1HB LEU 24 5.572 -12.304 0.369 178 HG LEU 24 HG LEU 24 7.435 -12.326 -1.148 179 1HD1 LEU 24 3HD1 LEU 24 5.256 -12.628 -2.137 180 2HD1 LEU 24 2HD1 LEU 24 5.129 -10.887 -2.406 181 3HD1 LEU 24 1HD1 LEU 24 6.360 -11.820 -3.252 182 1HD2 LEU 24 2HD2 LEU 24 8.337 -10.107 -0.681 183 2HD2 LEU 24 1HD2 LEU 24 8.151 -10.381 -2.420 184 3HD2 LEU 24 3HD2 LEU 24 6.988 -9.379 -1.553 185 MD1 LEU 24 QD1 LEU 24 5.581 -11.779 -2.598 186 MD2 LEU 24 QD2 LEU 24 7.825 -9.955 -1.551 187 QB LEU 24 QB LEU 24 6.189 -11.756 0.647 188 QD LEU 24 QQD LEU 24 6.703 -10.867 -2.075 189 H ALA 25 H ALA 25 2.714 -9.326 0.891 190 HA ALA 25 HA ALA 25 2.370 -8.927 3.469 191 1HB ALA 25 3HB ALA 25 0.541 -8.675 1.921 192 2HB ALA 25 2HB ALA 25 0.278 -10.425 1.903 193 3HB ALA 25 1HB ALA 25 0.028 -9.487 3.382 194 MB ALA 25 QB ALA 25 0.282 -9.529 2.402 195 H ALA 26 H ALA 26 2.667 -9.814 5.397 196 HA ALA 26 HA ALA 26 3.754 -12.211 5.675 197 1HB ALA 26 3HB ALA 26 4.222 -10.361 6.993 198 2HB ALA 26 2HB ALA 26 2.555 -10.180 7.501 199 3HB ALA 26 1HB ALA 26 3.516 -11.573 8.078 200 MB ALA 26 QB ALA 26 3.431 -10.705 7.524 201 HA PRO 27 HA PRO 27 0.073 -14.816 5.907 202 1HB PRO 27 2HB PRO 27 1.255 -16.899 7.179 203 2HB PRO 27 1HB PRO 27 1.561 -16.536 5.471 204 1HG PRO 27 2HG PRO 27 3.062 -15.440 7.838 205 2HG PRO 27 1HG PRO 27 3.782 -16.480 6.538 206 1HD PRO 27 2HD PRO 27 4.048 -13.957 6.505 207 2HD PRO 27 1HD PRO 27 3.357 -14.668 5.023 208 QB PRO 27 QB PRO 27 1.408 -16.717 6.325 209 QG PRO 27 QG PRO 27 3.422 -15.960 7.188 210 QD PRO 27 QD PRO 27 3.702 -14.313 5.764 211 H ASP 28 H ASP 28 1.567 -13.383 8.402 212 HA ASP 28 HA ASP 28 -0.114 -14.632 10.466 213 1HB ASP 28 2HB ASP 28 1.265 -13.680 12.181 214 2HB ASP 28 1HB ASP 28 2.332 -14.364 10.971 215 QB ASP 28 QB ASP 28 1.798 -14.022 11.576 216 H LEU 29 H LEU 29 -0.366 -12.288 8.357 217 HA LEU 29 HA LEU 29 -1.463 -10.201 9.952 218 1HB LEU 29 2HB LEU 29 -1.256 -10.723 7.039 219 2HB LEU 29 1HB LEU 29 -2.296 -9.452 7.646 220 HG LEU 29 HG LEU 29 0.639 -9.630 8.255 221 1HD1 LEU 29 3HD1 LEU 29 -0.943 -8.228 6.157 222 2HD1 LEU 29 2HD1 LEU 29 0.668 -7.668 6.644 223 3HD1 LEU 29 1HD1 LEU 29 0.464 -9.275 5.893 224 1HD2 LEU 29 1HD2 LEU 29 -1.445 -7.478 8.599 225 2HD2 LEU 29 3HD2 LEU 29 -0.617 -8.354 9.892 226 3HD2 LEU 29 2HD2 LEU 29 0.275 -7.256 8.837 227 MD1 LEU 29 QD1 LEU 29 0.063 -8.391 6.231 228 MD2 LEU 29 QD2 LEU 29 -0.596 -7.696 9.110 229 QB LEU 29 QB LEU 29 -1.776 -10.088 7.343 230 QD LEU 29 QQD LEU 29 -0.266 -8.043 7.670 231 H THR 30 H THR 30 -3.493 -9.650 10.237 232 HA THR 30 HA THR 30 -5.569 -11.555 9.559 233 HB THR 30 HB THR 30 -6.660 -9.922 11.155 234 HG1 THR 30 1HG THR 30 -5.013 -9.381 12.845 235 1HG2 THR 30 1HG2 THR 30 -4.839 -12.147 11.822 236 2HG2 THR 30 3HG2 THR 30 -6.020 -11.469 12.983 237 3HG2 THR 30 2HG2 THR 30 -6.597 -12.152 11.445 238 MG THR 30 QG2 THR 30 -5.819 -11.923 12.083 239 H LEU 31 H LEU 31 -7.197 -10.948 8.372 240 HA LEU 31 HA LEU 31 -7.310 -8.752 6.644 241 1HB LEU 31 2HB LEU 31 -8.753 -10.812 6.663 242 2HB LEU 31 1HB LEU 31 -9.433 -10.025 8.108 243 HG LEU 31 HG LEU 31 -10.356 -8.228 6.787 244 1HD1 LEU 31 3HD1 LEU 31 -8.676 -8.117 5.051 245 2HD1 LEU 31 2HD1 LEU 31 -9.258 -9.643 4.364 246 3HD1 LEU 31 1HD1 LEU 31 -10.305 -8.214 4.401 247 1HD2 LEU 31 1HD2 LEU 31 -11.724 -10.191 7.126 248 2HD2 LEU 31 3HD2 LEU 31 -12.065 -9.464 5.553 249 3HD2 LEU 31 2HD2 LEU 31 -11.075 -10.926 5.660 250 MD1 LEU 31 QD1 LEU 31 -9.413 -8.658 4.605 251 MD2 LEU 31 QD2 LEU 31 -11.621 -10.194 6.113 252 QB LEU 31 QB LEU 31 -9.093 -10.418 7.385 253 QD LEU 31 QQD LEU 31 -10.517 -9.426 5.359 254 H ARG 32 H ARG 32 -8.507 -9.103 9.981 255 HA ARG 32 HA ARG 32 -9.793 -6.590 9.802 256 1HB ARG 32 2HB ARG 32 -10.485 -8.120 11.590 257 2HB ARG 32 1HB ARG 32 -8.899 -7.993 12.340 258 1HG ARG 32 2HG ARG 32 -10.500 -6.577 13.525 259 2HG ARG 32 1HG ARG 32 -9.262 -5.602 12.728 260 1HD ARG 32 2HD ARG 32 -11.244 -5.758 10.799 261 2HD ARG 32 1HD ARG 32 -12.155 -5.648 12.299 262 HE ARG 32 HE ARG 32 -10.154 -3.762 12.450 263 1HH1 ARG 32 1HH1 ARG 32 -13.101 -4.261 10.500 264 2HH1 ARG 32 2HH1 ARG 32 -13.192 -2.623 10.024 265 1HH2 ARG 32 1HH2 ARG 32 -10.363 -1.542 11.822 266 2HH2 ARG 32 2HH2 ARG 32 -11.561 -1.051 10.713 267 QB ARG 32 QB ARG 32 -9.692 -8.056 11.965 268 QG ARG 32 QG ARG 32 -9.881 -6.089 13.127 269 QD ARG 32 QD ARG 32 -11.699 -5.703 11.549 270 QH1 ARG 32 QH1 ARG 32 -13.146 -3.442 10.262 271 QH2 ARG 32 QH2 ARG 32 -10.962 -1.297 11.267 272 H ASP 33 H ASP 33 -6.531 -7.502 10.564 273 HA ASP 33 HA ASP 33 -5.841 -4.928 11.525 274 1HB ASP 33 2HB ASP 33 -4.577 -7.055 12.096 275 2HB ASP 33 1HB ASP 33 -3.928 -7.019 10.463 276 QB ASP 33 QB ASP 33 -4.253 -7.037 11.279 277 H LEU 34 H LEU 34 -5.867 -6.513 8.292 278 HA LEU 34 HA LEU 34 -4.454 -4.339 6.983 279 1HB LEU 34 2HB LEU 34 -6.498 -6.231 5.797 280 2HB LEU 34 1HB LEU 34 -5.732 -4.967 4.881 281 HG LEU 34 HG LEU 34 -4.716 -7.013 4.307 282 1HD1 LEU 34 3HD1 LEU 34 -3.164 -5.164 4.482 283 2HD1 LEU 34 2HD1 LEU 34 -2.856 -5.563 6.172 284 3HD1 LEU 34 1HD1 LEU 34 -2.385 -6.687 4.901 285 1HD2 LEU 34 2HD2 LEU 34 -5.493 -8.118 6.308 286 2HD2 LEU 34 1HD2 LEU 34 -3.800 -8.560 5.876 287 3HD2 LEU 34 3HD2 LEU 34 -4.146 -7.409 7.187 288 MD1 LEU 34 QD1 LEU 34 -2.801 -5.805 5.185 289 MD2 LEU 34 QD2 LEU 34 -4.479 -8.029 6.457 290 QB LEU 34 QB LEU 34 -6.115 -5.599 5.339 291 QD LEU 34 QQD LEU 34 -3.640 -6.917 5.821 292 H LEU 35 H LEU 35 -7.687 -4.950 7.804 293 HA LEU 35 HA LEU 35 -8.741 -2.730 6.431 294 1HB LEU 35 2HB LEU 35 -9.847 -4.598 8.493 295 2HB LEU 35 1HB LEU 35 -10.765 -3.181 8.028 296 HG LEU 35 HG LEU 35 -11.314 -5.431 6.811 297 1HD1 LEU 35 1HD1 LEU 35 -12.147 -3.230 6.087 298 2HD1 LEU 35 3HD1 LEU 35 -10.658 -2.964 5.186 299 3HD1 LEU 35 2HD1 LEU 35 -11.751 -4.258 4.710 300 1HD2 LEU 35 1HD2 LEU 35 -8.925 -5.988 6.335 301 2HD2 LEU 35 3HD2 LEU 35 -9.907 -5.951 4.858 302 3HD2 LEU 35 2HD2 LEU 35 -8.832 -4.606 5.309 303 MD1 LEU 35 QD1 LEU 35 -11.519 -3.484 5.328 304 MD2 LEU 35 QD2 LEU 35 -9.221 -5.515 5.501 305 QB LEU 35 QB LEU 35 -10.306 -3.889 8.260 306 QD LEU 35 QQD LEU 35 -10.370 -4.499 5.414 307 H ASP 36 H ASP 36 -7.803 -3.260 9.692 308 HA ASP 36 HA ASP 36 -8.356 -0.578 10.548 309 1HB ASP 36 2HB ASP 36 -6.547 -2.662 11.753 310 2HB ASP 36 1HB ASP 36 -6.555 -1.024 12.387 311 QB ASP 36 QB ASP 36 -6.551 -1.843 12.070 312 H ILE 37 H ILE 37 -5.487 -2.056 9.212 313 HA ILE 37 HA ILE 37 -3.765 0.104 9.118 314 HB ILE 37 HB ILE 37 -4.221 -2.190 7.207 315 1HG1 ILE 37 2HG1 ILE 37 -1.683 -1.594 8.659 316 2HG1 ILE 37 1HG1 ILE 37 -2.984 -2.374 9.532 317 1HG2 ILE 37 3HG2 ILE 37 -2.107 -0.065 6.856 318 2HG2 ILE 37 2HG2 ILE 37 -2.189 -1.582 5.958 319 3HG2 ILE 37 1HG2 ILE 37 -3.469 -0.386 5.779 320 1HD1 ILE 37 1HD1 ILE 37 -1.771 -3.404 6.971 321 2HD1 ILE 37 3HD1 ILE 37 -1.267 -3.911 8.570 322 3HD1 ILE 37 2HD1 ILE 37 -2.893 -4.278 8.034 323 MG ILE 37 QG2 ILE 37 -2.588 -0.677 6.198 324 MD ILE 37 QD1 ILE 37 -1.977 -3.864 7.858 325 QG ILE 37 QG1 ILE 37 -2.333 -1.984 9.096 326 H VAL 38 H VAL 38 -6.121 -0.858 6.610 327 HA VAL 38 HA VAL 38 -5.549 1.372 5.023 328 HB VAL 38 HB VAL 38 -6.583 -0.742 4.153 329 1HG1 VAL 38 1HG1 VAL 38 -8.358 -0.992 5.782 330 2HG1 VAL 38 3HG1 VAL 38 -9.188 0.410 5.108 331 3HG1 VAL 38 2HG1 VAL 38 -8.970 -1.041 4.124 332 1HG2 VAL 38 1HG2 VAL 38 -7.886 1.852 3.369 333 2HG2 VAL 38 3HG2 VAL 38 -6.393 1.172 2.718 334 3HG2 VAL 38 2HG2 VAL 38 -7.940 0.373 2.413 335 MG1 VAL 38 QG1 VAL 38 -8.839 -0.541 5.005 336 MG2 VAL 38 QG2 VAL 38 -7.406 1.132 2.833 337 QG VAL 38 QQG VAL 38 -8.122 0.296 3.919 338 H GLU 39 H GLU 39 -8.109 0.966 7.454 339 HA GLU 39 HA GLU 39 -9.375 3.400 6.860 340 1HB GLU 39 2HB GLU 39 -9.339 1.826 9.447 341 2HB GLU 39 1HB GLU 39 -10.352 3.237 9.195 342 1HG GLU 39 2HG GLU 39 -11.389 2.041 7.249 343 2HG GLU 39 1HG GLU 39 -10.483 0.608 7.724 344 QB GLU 39 QB GLU 39 -9.846 2.532 9.321 345 QG GLU 39 QG GLU 39 -10.936 1.324 7.487 346 H THR 40 H THR 40 -6.659 2.689 8.987 347 HA THR 40 HA THR 40 -6.465 5.373 9.986 348 HB THR 40 HB THR 40 -4.290 3.250 9.897 349 HG1 THR 40 1HG THR 40 -5.977 2.304 10.959 350 1HG2 THR 40 2HG2 THR 40 -3.537 5.520 10.516 351 2HG2 THR 40 1HG2 THR 40 -4.763 5.575 11.779 352 3HG2 THR 40 3HG2 THR 40 -3.436 4.415 11.893 353 MG THR 40 QG2 THR 40 -3.912 5.170 11.396 354 H SER 41 H SER 41 -4.899 3.508 7.468 355 HA SER 41 HA SER 41 -2.883 5.166 6.614 356 1HB SER 41 2HB SER 41 -3.076 2.836 5.979 357 2HB SER 41 1HB SER 41 -4.565 3.172 5.104 358 HG SER 41 HG SER 41 -3.439 4.119 3.523 359 QB SER 41 QB SER 41 -3.820 3.004 5.541 360 H GLN 42 H GLN 42 -6.191 4.904 5.299 361 HA GLN 42 HA GLN 42 -5.736 6.687 3.180 362 1HB GLN 42 2HB GLN 42 -8.069 6.518 2.731 363 2HB GLN 42 1HB GLN 42 -7.521 4.945 3.282 364 1HG GLN 42 2HG GLN 42 -9.189 4.954 4.736 365 2HG GLN 42 1HG GLN 42 -8.386 6.281 5.584 366 1HE2 GLN 42 1HE2 GLN 42 -11.133 5.902 5.466 367 2HE2 GLN 42 2HE2 GLN 42 -11.831 7.202 4.556 368 QB GLN 42 QB GLN 42 -7.795 5.731 3.007 369 QG GLN 42 QG GLN 42 -8.788 5.617 5.160 370 QE GLN 42 QE2 GLN 42 -11.482 6.552 5.011 371 H ALA 43 H ALA 43 -6.895 7.170 6.434 372 HA ALA 43 HA ALA 43 -7.878 9.777 6.037 373 1HB ALA 43 3HB ALA 43 -8.045 9.878 8.456 374 2HB ALA 43 1HB ALA 43 -6.993 8.462 8.602 375 3HB ALA 43 2HB ALA 43 -8.580 8.305 7.855 376 MB ALA 43 QB ALA 43 -7.873 8.882 8.304 377 H HIS 44 H HIS 44 -4.745 8.517 7.075 378 HA HIS 44 HA HIS 44 -3.578 11.100 7.498 379 1HB HIS 44 2HB HIS 44 -2.453 9.051 8.403 380 2HB HIS 44 1HB HIS 44 -2.263 8.551 6.713 381 HD1 HIS 44 1HD HIS 44 -0.005 8.807 5.894 382 HD2 HIS 44 2HD HIS 44 -0.896 11.817 8.586 383 HE1 HIS 44 1HE HIS 44 2.030 10.267 5.957 384 HE2 HIS 44 2HE HIS 44 1.622 11.731 7.893 385 QB HIS 44 QB HIS 44 -2.358 8.801 7.558 386 H ASN 45 H ASN 45 -3.750 8.869 4.772 387 HA ASN 45 HA ASN 45 -2.103 10.338 3.075 388 1HB ASN 45 2HB ASN 45 -4.209 8.278 2.551 389 2HB ASN 45 1HB ASN 45 -3.499 9.156 1.203 390 1HD2 ASN 45 1HD2 ASN 45 -2.557 7.263 0.406 391 2HD2 ASN 45 2HD2 ASN 45 -1.182 6.539 1.161 392 QB ASN 45 QB ASN 45 -3.854 8.717 1.877 393 QD ASN 45 QD2 ASN 45 -1.870 6.901 0.784 394 H ALA 46 H ALA 46 -5.591 10.481 3.469 395 HA ALA 46 HA ALA 46 -6.085 12.434 1.524 396 1HB ALA 46 3HB ALA 46 -8.163 12.848 2.718 397 2HB ALA 46 1HB ALA 46 -7.521 12.020 4.136 398 3HB ALA 46 2HB ALA 46 -7.835 11.115 2.650 399 MB ALA 46 QB ALA 46 -7.839 11.994 3.168 400 H ARG 47 H ARG 47 -5.218 12.708 4.915 401 HA ARG 47 HA ARG 47 -5.391 15.525 5.103 402 1HB ARG 47 2HB ARG 47 -5.281 13.675 6.960 403 2HB ARG 47 1HB ARG 47 -3.540 13.841 6.698 404 1HG ARG 47 2HG ARG 47 -5.301 16.157 7.532 405 2HG ARG 47 1HG ARG 47 -4.467 15.121 8.679 406 1HD ARG 47 2HD ARG 47 -3.134 16.763 6.524 407 2HD ARG 47 1HD ARG 47 -3.279 17.248 8.212 408 HE ARG 47 HE ARG 47 -2.026 15.048 8.608 409 1HH1 ARG 47 1HH1 ARG 47 -1.443 17.172 5.823 410 2HH1 ARG 47 2HH1 ARG 47 0.218 16.826 5.723 411 1HH2 ARG 47 1HH2 ARG 47 0.292 14.573 8.457 412 2HH2 ARG 47 2HH2 ARG 47 1.215 15.310 7.258 413 QB ARG 47 QB ARG 47 -4.410 13.758 6.829 414 QG ARG 47 QG ARG 47 -4.884 15.639 8.105 415 QD ARG 47 QD ARG 47 -3.207 17.006 7.368 416 QH1 ARG 47 QH1 ARG 47 -0.612 16.999 5.773 417 QH2 ARG 47 QH2 ARG 47 0.753 14.941 7.858 418 H ALA 48 H ALA 48 -2.721 13.255 4.511 419 HA ALA 48 HA ALA 48 -0.895 15.390 4.346 420 1HB ALA 48 3HB ALA 48 -0.193 13.284 5.272 421 2HB ALA 48 1HB ALA 48 0.802 13.746 3.891 422 3HB ALA 48 2HB ALA 48 -0.440 12.484 3.716 423 MB ALA 48 QB ALA 48 0.056 13.171 4.293 424 H GLN 49 H GLN 49 -3.129 14.427 2.229 425 HA GLN 49 HA GLN 49 -3.693 15.111 0.123 426 1HB GLN 49 2HB GLN 49 -0.970 16.412 -0.032 427 2HB GLN 49 1HB GLN 49 -2.376 16.811 -1.055 428 1HG GLN 49 2HG GLN 49 -3.040 18.221 0.508 429 2HG GLN 49 1HG GLN 49 -2.897 16.858 1.670 430 1HE2 GLN 49 1HE2 GLN 49 -2.081 18.097 3.320 431 2HE2 GLN 49 2HE2 GLN 49 -0.429 18.622 3.308 432 QB GLN 49 QB GLN 49 -1.673 16.611 -0.544 433 QG GLN 49 QG GLN 49 -2.968 17.539 1.089 434 QE GLN 49 QE2 GLN 49 -1.255 18.359 3.314 435 H LEU 50 H LEU 50 -2.175 12.780 0.810 436 HA LEU 50 HA LEU 50 -0.700 11.980 -1.502 437 1HB LEU 50 2HB LEU 50 -1.395 10.776 1.102 438 2HB LEU 50 1HB LEU 50 -0.981 9.697 -0.211 439 HG LEU 50 HG LEU 50 1.170 10.694 -0.428 440 1HD1 LEU 50 1HD1 LEU 50 0.673 12.980 0.117 441 2HD1 LEU 50 3HD1 LEU 50 0.410 12.539 1.805 442 3HD1 LEU 50 2HD1 LEU 50 2.016 12.386 1.091 443 1HD2 LEU 50 3HD2 LEU 50 0.881 8.916 1.193 444 2HD2 LEU 50 2HD2 LEU 50 2.170 10.034 1.657 445 3HD2 LEU 50 1HD2 LEU 50 0.590 10.111 2.455 446 MD1 LEU 50 QD1 LEU 50 1.033 12.635 1.004 447 MD2 LEU 50 QD2 LEU 50 1.213 9.687 1.768 448 QB LEU 50 QB LEU 50 -1.188 10.237 0.446 449 QD LEU 50 QQD LEU 50 1.123 11.161 1.386 450 H THR 51 H THR 51 -1.291 10.862 -3.117 451 HA THR 51 HA THR 51 -4.047 9.858 -3.489 452 HB THR 51 HB THR 51 -3.556 10.458 -5.836 453 HG1 THR 51 1HG THR 51 -1.498 10.780 -6.247 454 1HG2 THR 51 1HG2 THR 51 -3.190 12.529 -3.751 455 2HG2 THR 51 3HG2 THR 51 -3.736 12.879 -5.404 456 3HG2 THR 51 2HG2 THR 51 -4.718 11.822 -4.309 457 MG THR 51 QG2 THR 51 -3.881 12.410 -4.488 458 H GLY 52 H GLY 52 -4.131 7.794 -4.673 459 1HA GLY 52 1HA GLY 52 -2.655 6.016 -3.172 460 2HA GLY 52 2HA GLY 52 -1.738 6.236 -4.654 461 QA GLY 52 QA GLY 52 -2.196 6.126 -3.913 462 H ALA 53 H ALA 53 -2.134 3.948 -4.417 463 HA ALA 53 HA ALA 53 -4.603 2.743 -4.807 464 1HB ALA 53 2HB ALA 53 -4.488 3.731 -7.093 465 2HB ALA 53 3HB ALA 53 -4.360 1.971 -7.141 466 3HB ALA 53 1HB ALA 53 -2.921 2.968 -7.317 467 MB ALA 53 QB ALA 53 -3.923 2.890 -7.184 468 H LEU 54 H LEU 54 -4.191 0.341 -5.360 469 HA LEU 54 HA LEU 54 -1.517 -0.513 -5.134 470 1HB LEU 54 2HB LEU 54 -1.661 -1.643 -3.001 471 2HB LEU 54 1HB LEU 54 -1.835 0.085 -2.794 472 HG LEU 54 HG LEU 54 -4.397 -0.506 -2.712 473 1HD1 LEU 54 3HD1 LEU 54 -4.163 -2.859 -3.296 474 2HD1 LEU 54 2HD1 LEU 54 -3.161 -3.122 -1.867 475 3HD1 LEU 54 1HD1 LEU 54 -4.852 -2.667 -1.681 476 1HD2 LEU 54 1HD2 LEU 54 -2.460 -1.023 -0.466 477 2HD2 LEU 54 3HD2 LEU 54 -3.199 0.518 -0.893 478 3HD2 LEU 54 2HD2 LEU 54 -4.182 -0.796 -0.251 479 MD1 LEU 54 QD1 LEU 54 -4.059 -2.883 -2.281 480 MD2 LEU 54 QD2 LEU 54 -3.281 -0.433 -0.537 481 QB LEU 54 QB LEU 54 -1.748 -0.779 -2.897 482 QD LEU 54 QQD LEU 54 -3.670 -1.658 -1.409 483 H PHE 55 H PHE 55 -1.349 -2.811 -5.183 484 HA PHE 55 HA PHE 55 -3.787 -4.151 -6.023 485 1HB PHE 55 2HB PHE 55 -1.129 -4.229 -7.484 486 2HB PHE 55 1HB PHE 55 -2.487 -5.291 -7.823 487 HD1 PHE 55 1HD PHE 55 -4.578 -4.356 -8.752 488 HD2 PHE 55 2HD PHE 55 -1.061 -1.995 -8.345 489 HE1 PHE 55 1HE PHE 55 -5.498 -2.715 -10.338 490 HE2 PHE 55 2HE PHE 55 -1.973 -0.356 -9.920 491 HZ PHE 55 HZ PHE 55 -4.193 -0.707 -10.924 492 QB PHE 55 QB PHE 55 -1.808 -4.760 -7.654 493 QD PHE 55 QD PHE 55 -2.820 -3.176 -8.549 494 QE PHE 55 QE PHE 55 -3.735 -1.535 -10.129 495 QR PHE 55 QR PHE 55 -3.461 -2.026 -9.656 496 H TYR 56 H TYR 56 -4.018 -5.562 -4.507 497 HA TYR 56 HA TYR 56 -1.689 -6.972 -3.450 498 1HB TYR 56 2HB TYR 56 -2.973 -5.607 -1.793 499 2HB TYR 56 1HB TYR 56 -4.434 -6.469 -2.218 500 HD1 TYR 56 1HD TYR 56 -2.006 -8.975 -2.093 501 HD2 TYR 56 2HD TYR 56 -4.109 -6.348 0.518 502 HE1 TYR 56 1HE TYR 56 -1.640 -10.542 -0.257 503 HE2 TYR 56 2HE TYR 56 -3.774 -7.920 2.362 504 HH TYR 56 HH TYR 56 -1.614 -10.487 2.278 505 QB TYR 56 QB TYR 56 -3.704 -6.038 -2.006 506 QD TYR 56 QD TYR 56 -3.058 -7.662 -0.788 507 QE TYR 56 QE TYR 56 -2.707 -9.231 1.052 508 QR TYR 56 QR TYR 56 -2.882 -8.446 0.132 509 H SER 57 H SER 57 -1.562 -9.129 -3.922 510 HA SER 57 HA SER 57 -3.891 -10.530 -4.810 511 1HB SER 57 2HB SER 57 -1.009 -10.781 -5.764 512 2HB SER 57 1HB SER 57 -2.423 -11.615 -6.420 513 HG SER 57 HG SER 57 -2.697 -8.940 -6.362 514 QB SER 57 QB SER 57 -1.716 -11.198 -6.092 515 H GLN 58 H GLN 58 -3.653 -12.664 -3.865 516 HA GLN 58 HA GLN 58 -2.688 -12.447 -1.253 517 1HB GLN 58 2HB GLN 58 -4.578 -13.784 -1.847 518 2HB GLN 58 1HB GLN 58 -3.506 -14.714 -2.898 519 1HG GLN 58 2HG GLN 58 -2.495 -15.807 -1.055 520 2HG GLN 58 1HG GLN 58 -3.079 -14.592 0.083 521 1HE2 GLN 58 1HE2 GLN 58 -3.332 -17.484 0.139 522 2HE2 GLN 58 2HE2 GLN 58 -5.014 -17.819 0.253 523 QB GLN 58 QB GLN 58 -4.042 -14.249 -2.372 524 QG GLN 58 QG GLN 58 -2.787 -15.200 -0.486 525 QE GLN 58 QE2 GLN 58 -4.173 -17.651 0.196 526 H GLY 59 H GLY 59 -0.665 -12.107 -0.969 527 1HA GLY 59 1HA GLY 59 1.267 -13.819 -2.254 528 2HA GLY 59 2HA GLY 59 1.394 -13.477 -0.520 529 QA GLY 59 QA GLY 59 1.330 -13.648 -1.387 530 H VAL 60 H VAL 60 1.476 -12.109 -3.765 531 HA VAL 60 HA VAL 60 3.349 -10.150 -2.898 532 HB VAL 60 HB VAL 60 3.722 -11.141 -5.082 533 1HG1 VAL 60 2HG1 VAL 60 1.416 -11.591 -5.740 534 2HG1 VAL 60 1HG1 VAL 60 1.134 -9.868 -5.963 535 3HG1 VAL 60 3HG1 VAL 60 2.285 -10.713 -7.002 536 1HG2 VAL 60 1HG2 VAL 60 3.023 -8.216 -5.317 537 2HG2 VAL 60 3HG2 VAL 60 4.561 -8.885 -4.769 538 3HG2 VAL 60 2HG2 VAL 60 4.049 -9.105 -6.445 539 MG1 VAL 60 QG1 VAL 60 1.612 -10.724 -6.235 540 MG2 VAL 60 QG2 VAL 60 3.878 -8.735 -5.510 541 QG VAL 60 QQG VAL 60 2.745 -9.730 -5.873 542 H PHE 61 H PHE 61 2.916 -8.520 -1.913 543 HA PHE 61 HA PHE 61 0.344 -7.175 -2.113 544 1HB PHE 61 2HB PHE 61 1.511 -8.223 -0.119 545 2HB PHE 61 1HB PHE 61 2.670 -6.935 -0.253 546 HD1 PHE 61 1HD PHE 61 2.018 -7.006 2.112 547 HD2 PHE 61 2HD PHE 61 -0.577 -5.649 -0.953 548 HE1 PHE 61 1HE PHE 61 0.769 -5.920 3.771 549 HE2 PHE 61 2HE PHE 61 -1.940 -4.462 0.748 550 HZ PHE 61 HZ PHE 61 -1.275 -4.593 3.106 551 QB PHE 61 QB PHE 61 2.090 -7.579 -0.186 552 QD PHE 61 QD PHE 61 0.721 -6.328 0.580 553 QE PHE 61 QE PHE 61 -0.585 -5.191 2.259 554 QR PHE 61 QR PHE 61 -0.201 -5.526 1.757 555 H PHE 62 H PHE 62 0.566 -5.549 -3.758 556 HA PHE 62 HA PHE 62 3.056 -3.995 -3.764 557 1HB PHE 62 2HB PHE 62 2.743 -5.210 -5.878 558 2HB PHE 62 1HB PHE 62 1.121 -4.551 -6.039 559 HD1 PHE 62 1HD PHE 62 4.709 -3.767 -6.201 560 HD2 PHE 62 2HD PHE 62 0.765 -2.321 -6.899 561 HE1 PHE 62 1HE PHE 62 5.629 -1.867 -7.463 562 HE2 PHE 62 2HE PHE 62 1.690 -0.410 -8.160 563 HZ PHE 62 HZ PHE 62 4.118 -0.191 -8.443 564 QB PHE 62 QB PHE 62 1.932 -4.880 -5.958 565 QD PHE 62 QD PHE 62 2.737 -3.044 -6.550 566 QE PHE 62 QE PHE 62 3.659 -1.138 -7.811 567 QR PHE 62 QR PHE 62 3.382 -1.711 -7.433 568 H GLN 63 H GLN 63 2.860 -1.946 -3.180 569 HA GLN 63 HA GLN 63 0.273 -0.595 -3.524 570 1HB GLN 63 2HB GLN 63 1.976 -0.356 -1.064 571 2HB GLN 63 1HB GLN 63 0.457 0.450 -1.385 572 1HG GLN 63 2HG GLN 63 -0.672 -1.751 -1.266 573 2HG GLN 63 1HG GLN 63 0.882 -2.466 -0.828 574 1HE2 GLN 63 1HE2 GLN 63 -1.548 -2.244 0.785 575 2HE2 GLN 63 2HE2 GLN 63 -1.018 -1.342 2.179 576 QB GLN 63 QB GLN 63 1.216 0.047 -1.224 577 QG GLN 63 QG GLN 63 0.105 -2.108 -1.047 578 QE GLN 63 QE2 GLN 63 -1.283 -1.793 1.482 579 H TRP 64 H TRP 64 0.566 1.635 -4.003 580 HA TRP 64 HA TRP 64 3.167 2.577 -3.412 581 1HB TRP 64 2HB TRP 64 3.704 3.450 -5.511 582 2HB TRP 64 1HB TRP 64 3.148 1.791 -5.805 583 HD1 TRP 64 HD TRP 64 3.073 5.158 -7.010 584 HE1 TRP 64 1HE TRP 64 1.354 5.472 -8.802 585 HE3 TRP 64 3HE TRP 64 0.350 0.936 -6.184 586 HZ2 TRP 64 2HZ TRP 64 -0.930 4.116 -9.779 587 HZ3 TRP 64 3HZ TRP 64 -1.669 0.577 -7.585 588 HH2 TRP 64 HH TRP 64 -2.243 2.106 -9.354 589 QB TRP 64 QB TRP 64 3.426 2.620 -5.658 590 H LEU 65 H LEU 65 3.176 5.043 -3.622 591 HA LEU 65 HA LEU 65 0.529 6.211 -3.414 592 1HB LEU 65 2HB LEU 65 1.032 7.312 -1.289 593 2HB LEU 65 1HB LEU 65 0.961 5.572 -1.132 594 HG LEU 65 HG LEU 65 3.557 6.974 -1.482 595 1HD1 LEU 65 1HD1 LEU 65 2.010 6.541 1.075 596 2HD1 LEU 65 3HD1 LEU 65 3.725 6.946 1.027 597 3HD1 LEU 65 2HD1 LEU 65 2.545 8.085 0.387 598 1HD2 LEU 65 1HD2 LEU 65 3.603 4.543 -1.653 599 2HD2 LEU 65 3HD2 LEU 65 4.442 5.058 -0.192 600 3HD2 LEU 65 2HD2 LEU 65 2.811 4.394 -0.086 601 MD1 LEU 65 QD1 LEU 65 2.760 7.191 0.829 602 MD2 LEU 65 QD2 LEU 65 3.619 4.665 -0.643 603 QB LEU 65 QB LEU 65 0.997 6.442 -1.211 604 QD LEU 65 QQD LEU 65 3.189 5.928 0.093 605 H GLU 66 H GLU 66 0.429 8.327 -3.948 606 HA GLU 66 HA GLU 66 2.894 9.567 -4.940 607 1HB GLU 66 2HB GLU 66 0.055 10.418 -5.399 608 2HB GLU 66 1HB GLU 66 1.472 10.945 -6.259 609 1HG GLU 66 2HG GLU 66 1.619 8.631 -7.209 610 2HG GLU 66 1HG GLU 66 0.022 8.339 -6.497 611 QB GLU 66 QB GLU 66 0.763 10.681 -5.829 612 QG GLU 66 QG GLU 66 0.820 8.485 -6.853 613 H GLY 67 H GLY 67 3.610 11.212 -3.676 614 1HA GLY 67 1HA GLY 67 2.513 12.042 -1.295 615 2HA GLY 67 2HA GLY 67 1.805 13.056 -2.567 616 QA GLY 67 QA GLY 67 2.159 12.549 -1.931 617 H HIS 68 H HIS 68 3.168 14.623 -0.996 618 HA HIS 68 HA HIS 68 5.560 15.329 -2.385 619 1HB HIS 68 2HB HIS 68 4.464 17.157 -1.229 620 2HB HIS 68 1HB HIS 68 4.431 16.296 0.280 621 HD1 HIS 68 1HD HIS 68 6.394 16.598 1.864 622 HD2 HIS 68 2HD HIS 68 6.795 18.137 -1.875 623 HE1 HIS 68 1HE HIS 68 8.612 17.731 1.954 624 HE2 HIS 68 2HE HIS 68 8.978 18.553 -0.397 625 QB HIS 68 QB HIS 68 4.448 16.727 -0.474 626 HA PRO 69 HA PRO 69 8.399 12.180 -1.232 627 1HB PRO 69 2HB PRO 69 10.380 14.060 -0.315 628 2HB PRO 69 1HB PRO 69 10.359 13.087 -1.789 629 1HG PRO 69 2HG PRO 69 9.480 15.875 -1.352 630 2HG PRO 69 1HG PRO 69 10.013 15.091 -2.853 631 1HD PRO 69 2HD PRO 69 7.483 15.748 -2.473 632 2HD PRO 69 1HD PRO 69 7.880 14.203 -3.253 633 QB PRO 69 QB PRO 69 10.369 13.574 -1.052 634 QG PRO 69 QG PRO 69 9.746 15.483 -2.102 635 QD PRO 69 QD PRO 69 7.681 14.976 -2.863 636 H ALA 70 H ALA 70 8.362 14.768 1.218 637 HA ALA 70 HA ALA 70 9.301 12.941 3.170 638 1HB ALA 70 3HB ALA 70 9.685 15.441 3.237 639 2HB ALA 70 1HB ALA 70 9.220 14.624 4.753 640 3HB ALA 70 2HB ALA 70 8.011 15.517 3.819 641 MB ALA 70 QB ALA 70 8.972 15.194 3.936 642 H ALA 71 H ALA 71 6.179 13.796 2.237 643 HA ALA 71 HA ALA 71 4.853 12.813 4.529 644 1HB ALA 71 1HB ALA 71 4.060 12.889 1.691 645 2HB ALA 71 3HB ALA 71 2.917 12.698 3.027 646 3HB ALA 71 2HB ALA 71 3.824 14.232 2.826 647 MB ALA 71 QB ALA 71 3.600 13.273 2.515 648 H VAL 72 H VAL 72 5.850 11.624 1.462 649 HA VAL 72 HA VAL 72 4.840 8.963 1.508 650 HB VAL 72 HB VAL 72 7.439 9.551 0.190 651 1HG1 VAL 72 3HG1 VAL 72 6.350 7.451 -0.108 652 2HG1 VAL 72 2HG1 VAL 72 4.931 8.337 -0.715 653 3HG1 VAL 72 1HG1 VAL 72 6.457 8.374 -1.640 654 1HG2 VAL 72 1HG2 VAL 72 4.893 10.829 -0.780 655 2HG2 VAL 72 3HG2 VAL 72 6.378 11.625 -0.214 656 3HG2 VAL 72 2HG2 VAL 72 6.403 10.672 -1.700 657 MG1 VAL 72 QG1 VAL 72 5.913 8.054 -0.821 658 MG2 VAL 72 QG2 VAL 72 5.892 11.042 -0.898 659 QG VAL 72 QQG VAL 72 5.902 9.548 -0.860 660 H ALA 73 H ALA 73 7.884 10.468 2.401 661 HA ALA 73 HA ALA 73 9.122 8.100 3.205 662 1HB ALA 73 1HB ALA 73 9.743 10.879 4.047 663 2HB ALA 73 3HB ALA 73 10.716 9.392 4.222 664 3HB ALA 73 2HB ALA 73 10.358 10.010 2.587 665 MB ALA 73 QB ALA 73 10.272 10.093 3.619 666 H GLU 74 H GLU 74 7.261 10.494 4.984 667 HA GLU 74 HA GLU 74 7.640 9.510 7.612 668 1HB GLU 74 2HB GLU 74 6.176 11.513 6.938 669 2HB GLU 74 1HB GLU 74 4.951 10.337 6.491 670 1HG GLU 74 2HG GLU 74 5.391 9.469 8.941 671 2HG GLU 74 1HG GLU 74 5.921 11.131 9.179 672 QB GLU 74 QB GLU 74 5.564 10.925 6.715 673 QG GLU 74 QG GLU 74 5.656 10.300 9.060 674 H VAL 75 H VAL 75 5.344 8.686 5.144 675 HA VAL 75 HA VAL 75 4.136 6.474 6.281 676 HB VAL 75 HB VAL 75 4.622 7.316 3.421 677 1HG1 VAL 75 1HG1 VAL 75 4.421 4.913 3.413 678 2HG1 VAL 75 3HG1 VAL 75 2.896 5.012 4.320 679 3HG1 VAL 75 2HG1 VAL 75 3.032 5.707 2.687 680 1HG2 VAL 75 3HG2 VAL 75 2.174 7.306 5.165 681 2HG2 VAL 75 2HG2 VAL 75 3.134 8.713 4.697 682 3HG2 VAL 75 1HG2 VAL 75 2.227 7.815 3.476 683 MG1 VAL 75 QG1 VAL 75 3.450 5.211 3.474 684 MG2 VAL 75 QG2 VAL 75 2.512 7.945 4.446 685 QG VAL 75 QQG VAL 75 2.981 6.578 3.960 686 H MET 76 H MET 76 6.984 6.582 4.035 687 HA MET 76 HA MET 76 7.609 3.928 4.085 688 1HB MET 76 2HB MET 76 9.465 6.285 3.967 689 2HB MET 76 1HB MET 76 9.956 4.682 3.541 690 1HG MET 76 2HG MET 76 7.653 5.911 2.298 691 2HG MET 76 1HG MET 76 9.245 6.367 1.647 692 1HE MET 76 1HE MET 76 6.365 4.008 2.035 693 2HE MET 76 3HE MET 76 6.752 2.542 1.116 694 3HE MET 76 2HE MET 76 7.541 2.805 2.671 695 QB MET 76 QB MET 76 9.711 5.483 3.754 696 QG MET 76 QG MET 76 8.449 6.139 1.973 697 ME MET 76 QE MET 76 6.886 3.118 1.941 698 H SER 77 H SER 77 8.776 6.433 6.290 699 HA SER 77 HA SER 77 10.436 4.791 7.822 700 1HB SER 77 2HB SER 77 8.850 7.185 8.786 701 2HB SER 77 1HB SER 77 10.319 6.529 9.516 702 HG SER 77 HG SER 77 10.021 7.813 7.009 703 QB SER 77 QB SER 77 9.584 6.857 9.151 704 H HIS 78 H HIS 78 6.999 5.482 8.297 705 HA HIS 78 HA HIS 78 6.688 3.869 10.627 706 1HB HIS 78 2HB HIS 78 4.645 4.341 8.434 707 2HB HIS 78 1HB HIS 78 4.310 3.649 10.002 708 HD1 HIS 78 1HD HIS 78 5.360 5.604 11.942 709 HD2 HIS 78 2HD HIS 78 3.602 6.788 8.385 710 HE1 HIS 78 1HE HIS 78 4.564 7.972 12.324 711 HE2 HIS 78 2HE HIS 78 3.606 8.697 10.092 712 QB HIS 78 QB HIS 78 4.477 3.995 9.218 713 H ILE 79 H ILE 79 6.209 3.175 7.268 714 HA ILE 79 HA ILE 79 5.392 0.492 7.462 715 HB ILE 79 HB ILE 79 6.097 2.454 5.420 716 1HG1 ILE 79 2HG1 ILE 79 3.711 0.670 5.774 717 2HG1 ILE 79 1HG1 ILE 79 3.874 2.346 6.291 718 1HG2 ILE 79 3HG2 ILE 79 6.315 -0.381 4.904 719 2HG2 ILE 79 2HG2 ILE 79 5.633 0.650 3.622 720 3HG2 ILE 79 1HG2 ILE 79 7.253 0.952 4.293 721 1HD1 ILE 79 3HD1 ILE 79 4.186 2.953 3.915 722 2HD1 ILE 79 2HD1 ILE 79 3.748 1.287 3.495 723 3HD1 ILE 79 1HD1 ILE 79 2.600 2.325 4.361 724 MG ILE 79 QG2 ILE 79 6.400 0.407 4.273 725 MD ILE 79 QD1 ILE 79 3.511 2.189 3.924 726 QG ILE 79 QG1 ILE 79 3.792 1.508 6.033 727 H GLN 80 H GLN 80 8.577 1.769 6.637 728 HA GLN 80 HA GLN 80 9.763 -0.693 6.301 729 1HB GLN 80 2HB GLN 80 10.943 1.988 7.024 730 2HB GLN 80 1HB GLN 80 11.875 0.592 6.482 731 1HG GLN 80 2HG GLN 80 9.729 1.998 4.780 732 2HG GLN 80 1HG GLN 80 11.412 2.124 4.550 733 1HE2 GLN 80 1HE2 GLN 80 8.811 0.064 4.292 734 2HE2 GLN 80 2HE2 GLN 80 9.734 -1.020 3.285 735 QB GLN 80 QB GLN 80 11.409 1.290 6.753 736 QG GLN 80 QG GLN 80 10.571 2.061 4.665 737 QE GLN 80 QE2 GLN 80 9.273 -0.478 3.789 738 H ARG 81 H ARG 81 8.757 0.782 9.258 739 HA ARG 81 HA ARG 81 10.379 -0.964 10.900 740 1HB ARG 81 2HB ARG 81 8.164 0.991 11.414 741 2HB ARG 81 1HB ARG 81 8.498 -0.227 12.628 742 1HG ARG 81 2HG ARG 81 9.602 1.904 13.106 743 2HG ARG 81 1HG ARG 81 10.756 0.587 12.882 744 1HD ARG 81 2HD ARG 81 11.204 1.356 10.639 745 2HD ARG 81 1HD ARG 81 9.997 2.622 10.808 746 HE ARG 81 HE ARG 81 12.000 2.780 12.817 747 1HH1 ARG 81 1HH1 ARG 81 11.373 3.512 9.444 748 2HH1 ARG 81 2HH1 ARG 81 12.456 4.852 9.377 749 1HH2 ARG 81 1HH2 ARG 81 13.475 4.587 12.721 750 2HH2 ARG 81 2HH2 ARG 81 13.669 5.464 11.269 751 QB ARG 81 QB ARG 81 8.331 0.382 12.021 752 QG ARG 81 QG ARG 81 10.179 1.246 12.994 753 QD ARG 81 QD ARG 81 10.600 1.989 10.723 754 QH1 ARG 81 QH1 ARG 81 11.915 4.182 9.411 755 QH2 ARG 81 QH2 ARG 81 13.572 5.026 11.995 756 H ASP 82 H ASP 82 8.763 -2.013 8.786 757 HA ASP 82 HA ASP 82 6.570 -3.322 9.062 758 1HB ASP 82 2HB ASP 82 7.350 -3.769 7.221 759 2HB ASP 82 1HB ASP 82 9.012 -4.177 7.625 760 QB ASP 82 QB ASP 82 8.181 -3.973 7.423 761 H ARG 83 H ARG 83 5.803 -5.268 9.300 762 HA ARG 83 HA ARG 83 6.154 -7.043 11.348 763 1HB ARG 83 2HB ARG 83 4.830 -5.887 13.173 764 2HB ARG 83 1HB ARG 83 6.418 -5.189 12.885 765 1HG ARG 83 2HG ARG 83 5.264 -3.571 11.338 766 2HG ARG 83 1HG ARG 83 3.741 -4.105 12.048 767 1HD ARG 83 2HD ARG 83 6.064 -2.787 13.456 768 2HD ARG 83 1HD ARG 83 4.439 -2.156 13.212 769 HE ARG 83 HE ARG 83 4.507 -4.596 14.716 770 1HH1 ARG 83 1HH1 ARG 83 4.621 -1.097 14.869 771 2HH1 ARG 83 2HH1 ARG 83 4.367 -1.006 16.547 772 1HH2 ARG 83 1HH2 ARG 83 4.160 -4.515 17.018 773 2HH2 ARG 83 2HH2 ARG 83 4.089 -3.018 17.807 774 QB ARG 83 QB ARG 83 5.624 -5.538 13.029 775 QG ARG 83 QG ARG 83 4.503 -3.838 11.693 776 QD ARG 83 QD ARG 83 5.251 -2.472 13.334 777 QH1 ARG 83 QH1 ARG 83 4.494 -1.052 15.708 778 QH2 ARG 83 QH2 ARG 83 4.125 -3.766 17.412 779 H ARG 84 H ARG 84 4.048 -4.720 9.766 780 HA ARG 84 HA ARG 84 1.727 -6.434 9.811 781 1HB ARG 84 2HB ARG 84 2.307 -3.625 9.339 782 2HB ARG 84 1HB ARG 84 1.133 -4.425 8.289 783 1HG ARG 84 2HG ARG 84 -0.012 -3.356 10.034 784 2HG ARG 84 1HG ARG 84 -0.144 -5.096 10.214 785 1HD ARG 84 2HD ARG 84 1.548 -4.989 11.982 786 2HD ARG 84 1HD ARG 84 1.594 -3.219 11.792 787 HE ARG 84 HE ARG 84 -0.943 -4.435 12.016 788 1HH1 ARG 84 1HH1 ARG 84 1.572 -2.651 13.820 789 2HH1 ARG 84 2HH1 ARG 84 0.520 -2.161 15.060 790 1HH2 ARG 84 1HH2 ARG 84 -2.317 -3.807 13.701 791 2HH2 ARG 84 2HH2 ARG 84 -1.781 -2.825 15.016 792 QB ARG 84 QB ARG 84 1.720 -4.025 8.814 793 QG ARG 84 QG ARG 84 -0.078 -4.226 10.124 794 QD ARG 84 QD ARG 84 1.571 -4.104 11.887 795 QH1 ARG 84 QH1 ARG 84 1.046 -2.406 14.440 796 QH2 ARG 84 QH2 ARG 84 -2.049 -3.316 14.359 797 H HIS 85 H HIS 85 4.278 -6.715 7.837 798 HA HIS 85 HA HIS 85 2.801 -7.667 5.725 799 1HB HIS 85 2HB HIS 85 3.912 -6.112 3.897 800 2HB HIS 85 1HB HIS 85 2.469 -5.567 4.690 801 HD1 HIS 85 1HD HIS 85 3.346 -3.166 3.726 802 HD2 HIS 85 2HD HIS 85 5.642 -4.793 6.798 803 HE1 HIS 85 1HE HIS 85 4.751 -1.357 4.644 804 HE2 HIS 85 2HE HIS 85 5.949 -2.317 6.583 805 QB HIS 85 QB HIS 85 3.191 -5.839 4.293 806 H SER 86 H SER 86 4.854 -7.622 3.811 807 HA SER 86 HA SER 86 6.901 -8.696 5.480 808 1HB SER 86 2HB SER 86 5.317 -9.834 3.624 809 2HB SER 86 1HB SER 86 6.942 -10.603 3.548 810 HG SER 86 HG SER 86 6.084 -10.331 6.090 811 QB SER 86 QB SER 86 6.129 -10.219 3.586 812 H ASN 87 H ASN 87 8.732 -7.976 5.134 813 HA ASN 87 HA ASN 87 10.652 -7.206 4.360 814 1HB ASN 87 2HB ASN 87 9.834 -7.908 1.508 815 2HB ASN 87 1HB ASN 87 11.400 -7.382 2.025 816 1HD2 ASN 87 1HD2 ASN 87 9.172 -10.038 2.095 817 2HD2 ASN 87 2HD2 ASN 87 10.292 -11.211 2.658 818 QB ASN 87 QB ASN 87 10.617 -7.645 1.767 819 QD ASN 87 QD2 ASN 87 9.732 -10.625 2.377 820 H VAL 88 H VAL 88 8.096 -6.071 2.774 821 HA VAL 88 HA VAL 88 7.804 -4.325 1.473 822 HB VAL 88 HB VAL 88 6.761 -3.839 3.438 823 1HG1 VAL 88 2HG1 VAL 88 8.450 -4.003 4.987 824 2HG1 VAL 88 1HG1 VAL 88 9.179 -2.434 4.478 825 3HG1 VAL 88 3HG1 VAL 88 7.500 -2.460 5.090 826 1HG2 VAL 88 3HG2 VAL 88 6.778 -2.111 1.704 827 2HG2 VAL 88 2HG2 VAL 88 6.513 -1.457 3.317 828 3HG2 VAL 88 1HG2 VAL 88 8.077 -1.283 2.546 829 MG1 VAL 88 QG1 VAL 88 8.376 -2.965 4.852 830 MG2 VAL 88 QG2 VAL 88 7.123 -1.617 2.522 831 QG VAL 88 QQG VAL 88 7.750 -2.291 3.687 832 H GLU 89 H GLU 89 9.232 -4.566 0.082 833 HA GLU 89 HA GLU 89 11.548 -2.828 0.331 834 1HB GLU 89 2HB GLU 89 11.704 -5.280 -0.272 835 2HB GLU 89 1HB GLU 89 11.070 -4.814 -1.844 836 1HG GLU 89 2HG GLU 89 13.444 -5.000 -1.761 837 2HG GLU 89 1HG GLU 89 12.951 -3.358 -2.219 838 QB GLU 89 QB GLU 89 11.387 -5.047 -1.058 839 QG GLU 89 QG GLU 89 13.197 -4.179 -1.990 840 H ILE 90 H ILE 90 10.889 -1.021 -0.138 841 HA ILE 90 HA ILE 90 9.080 0.175 -1.806 842 HB ILE 90 HB ILE 90 11.813 1.301 -1.810 843 1HG1 ILE 90 2HG1 ILE 90 11.683 0.502 0.446 844 2HG1 ILE 90 1HG1 ILE 90 11.430 2.238 0.481 845 1HG2 ILE 90 1HG2 ILE 90 9.912 2.604 -2.821 846 2HG2 ILE 90 3HG2 ILE 90 9.106 2.554 -1.239 847 3HG2 ILE 90 2HG2 ILE 90 10.602 3.423 -1.421 848 1HD1 ILE 90 2HD1 ILE 90 9.045 1.895 0.637 849 2HD1 ILE 90 1HD1 ILE 90 9.300 0.149 0.606 850 3HD1 ILE 90 3HD1 ILE 90 9.897 1.102 1.973 851 MG ILE 90 QG2 ILE 90 9.873 2.860 -1.827 852 MD ILE 90 QD1 ILE 90 9.414 1.049 1.072 853 QG ILE 90 QG1 ILE 90 11.556 1.370 0.463 854 H LEU 91 H LEU 91 12.351 -0.222 -2.756 855 HA LEU 91 HA LEU 91 13.426 -0.879 -4.627 856 1HB LEU 91 2HB LEU 91 10.708 -1.811 -5.525 857 2HB LEU 91 1HB LEU 91 12.144 -1.982 -6.508 858 HG LEU 91 HG LEU 91 11.738 -3.274 -3.794 859 1HD1 LEU 91 2HD1 LEU 91 11.595 -4.407 -6.576 860 2HD1 LEU 91 1HD1 LEU 91 11.536 -5.336 -5.076 861 3HD1 LEU 91 3HD1 LEU 91 10.248 -4.200 -5.460 862 1HD2 LEU 91 1HD2 LEU 91 13.897 -3.580 -5.880 863 2HD2 LEU 91 3HD2 LEU 91 14.089 -2.822 -4.301 864 3HD2 LEU 91 2HD2 LEU 91 13.739 -4.545 -4.414 865 MD1 LEU 91 QD1 LEU 91 11.126 -4.648 -5.704 866 MD2 LEU 91 QD2 LEU 91 13.908 -3.649 -4.865 867 QB LEU 91 QB LEU 91 11.426 -1.896 -6.017 868 QD LEU 91 QQD LEU 91 12.517 -4.148 -5.285 869 H ALA 92 H ALA 92 10.584 0.948 -5.097 870 HA ALA 92 HA ALA 92 12.003 2.463 -7.189 871 1HB ALA 92 2HB ALA 92 10.485 0.961 -8.325 872 2HB ALA 92 3HB ALA 92 9.920 2.634 -8.479 873 3HB ALA 92 1HB ALA 92 9.155 1.550 -7.321 874 MB ALA 92 QB ALA 92 9.853 1.715 -8.042 875 H GLU 93 H GLU 93 12.218 4.450 -6.474 876 HA GLU 93 HA GLU 93 9.821 5.750 -5.434 877 1HB GLU 93 2HB GLU 93 12.700 6.490 -4.689 878 2HB GLU 93 1HB GLU 93 11.198 7.198 -4.097 879 1HG GLU 93 2HG GLU 93 10.571 5.316 -2.992 880 2HG GLU 93 1HG GLU 93 11.956 4.391 -3.594 881 QB GLU 93 QB GLU 93 11.949 6.844 -4.393 882 QG GLU 93 QG GLU 93 11.263 4.854 -3.293 883 H GLU 94 H GLU 94 9.117 6.977 -6.991 884 HA GLU 94 HA GLU 94 11.069 8.108 -8.849 885 1HB GLU 94 2HB GLU 94 9.255 7.951 -10.582 886 2HB GLU 94 1HB GLU 94 9.835 6.401 -9.995 887 1HG GLU 94 2HG GLU 94 7.861 6.274 -8.520 888 2HG GLU 94 1HG GLU 94 7.263 7.773 -9.246 889 QB GLU 94 QB GLU 94 9.545 7.176 -10.289 890 QG GLU 94 QG GLU 94 7.562 7.023 -8.883 891 H SER 95 H SER 95 10.926 10.250 -9.337 892 HA SER 95 HA SER 95 9.263 11.808 -7.583 893 1HB SER 95 2HB SER 95 11.296 12.671 -9.653 894 2HB SER 95 1HB SER 95 10.513 13.707 -8.447 895 HG SER 95 HG SER 95 12.057 11.425 -7.773 896 QB SER 95 QB SER 95 10.904 13.189 -9.050 897 H ILE 96 H ILE 96 7.394 12.489 -8.084 898 HA ILE 96 HA ILE 96 6.519 12.417 -10.925 899 HB ILE 96 HB ILE 96 4.328 12.018 -10.181 900 1HG1 ILE 96 2HG1 ILE 96 5.454 11.220 -7.528 901 2HG1 ILE 96 1HG1 ILE 96 4.881 12.851 -7.786 902 1HG2 ILE 96 1HG2 ILE 96 5.733 10.206 -10.981 903 2HG2 ILE 96 3HG2 ILE 96 6.385 9.952 -9.362 904 3HG2 ILE 96 2HG2 ILE 96 4.686 9.589 -9.698 905 1HD1 ILE 96 2HD1 ILE 96 3.226 10.392 -8.136 906 2HD1 ILE 96 1HD1 ILE 96 3.335 11.420 -6.689 907 3HD1 ILE 96 3HD1 ILE 96 2.726 12.094 -8.179 908 MG ILE 96 QG2 ILE 96 5.601 9.916 -10.014 909 MD ILE 96 QD1 ILE 96 3.096 11.302 -7.668 910 QG ILE 96 QG1 ILE 96 5.167 12.036 -7.657 911 H ALA 97 H ALA 97 4.447 13.538 -11.320 912 HA ALA 97 HA ALA 97 4.473 16.157 -10.036 913 1HB ALA 97 1HB ALA 97 4.809 16.206 -12.461 914 2HB ALA 97 2HB ALA 97 3.251 16.956 -11.959 915 3HB ALA 97 3HB ALA 97 3.279 15.314 -12.609 916 MB ALA 97 QB ALA 97 3.779 16.159 -12.343 917 H LYS 98 H LYS 98 3.171 13.484 -9.878 918 HA LYS 98 HA LYS 98 1.230 12.475 -9.197 919 1HB LYS 98 2HB LYS 98 2.229 13.961 -7.521 920 2HB LYS 98 1HB LYS 98 0.974 15.099 -7.927 921 1HG LYS 98 2HG LYS 98 0.059 12.427 -7.278 922 2HG LYS 98 1HG LYS 98 1.032 13.249 -6.078 923 1HD LYS 98 2HD LYS 98 -0.803 15.035 -7.161 924 2HD LYS 98 1HD LYS 98 -1.672 13.647 -6.420 925 1HE LYS 98 2HE LYS 98 -0.249 13.876 -4.590 926 2HE LYS 98 1HE LYS 98 0.484 15.319 -5.320 927 1HZ LYS 98 3HZ LYS 98 -2.413 15.091 -4.550 928 2HZ LYS 98 2HZ LYS 98 -1.266 15.980 -3.691 929 3HZ LYS 98 1HZ LYS 98 -1.674 16.422 -5.279 930 QB LYS 98 QB LYS 98 1.602 14.530 -7.724 931 QD LYS 98 QD LYS 98 -1.237 14.341 -6.790 932 QG LYS 98 QG LYS 98 0.546 12.838 -6.678 933 QE LYS 98 QE LYS 98 0.118 14.597 -4.955 934 QZ LYS 98 QZ LYS 98 -1.785 15.831 -4.507 935 H ARG 99 H ARG 99 -1.139 13.454 -8.570 936 HA ARG 99 HA ARG 99 -3.198 14.105 -9.311 937 1HB ARG 99 2HB ARG 99 -2.172 16.236 -10.050 938 2HB ARG 99 1HB ARG 99 -1.608 15.485 -11.518 939 1HG ARG 99 2HG ARG 99 -3.905 15.290 -12.319 940 2HG ARG 99 1HG ARG 99 -4.503 15.960 -10.798 941 1HD ARG 99 2HD ARG 99 -3.525 18.055 -11.231 942 2HD ARG 99 1HD ARG 99 -2.553 17.420 -12.553 943 HE ARG 99 HE ARG 99 -5.259 17.028 -13.146 944 1HH1 ARG 99 1HH1 ARG 99 -3.053 19.791 -12.749 945 2HH1 ARG 99 2HH1 ARG 99 -3.811 20.715 -13.960 946 1HH2 ARG 99 1HH2 ARG 99 -6.253 18.292 -14.770 947 2HH2 ARG 99 2HH2 ARG 99 -5.693 19.860 -15.128 948 QB ARG 99 QB ARG 99 -1.890 15.861 -10.784 949 QG ARG 99 QG ARG 99 -4.204 15.625 -11.559 950 QD ARG 99 QD ARG 99 -3.039 17.737 -11.892 951 QH1 ARG 99 QH1 ARG 99 -3.432 20.253 -13.355 952 QH2 ARG 99 QH2 ARG 99 -5.973 19.076 -14.949 953 H ARG 100 H ARG 100 -1.731 11.740 -9.944 954 HA ARG 100 HA ARG 100 -2.860 10.871 -12.488 955 1HB ARG 100 2HB ARG 100 -0.827 9.650 -10.637 956 2HB ARG 100 1HB ARG 100 -1.325 8.978 -12.186 957 1HG ARG 100 2HG ARG 100 -0.317 10.715 -13.387 958 2HG ARG 100 1HG ARG 100 -0.198 11.727 -11.941 959 1HD ARG 100 2HD ARG 100 1.972 10.748 -12.636 960 2HD ARG 100 1HD ARG 100 1.477 10.303 -11.008 961 HE ARG 100 HE ARG 100 1.039 8.517 -13.290 962 1HH1 ARG 100 1HH1 ARG 100 2.032 8.987 -9.944 963 2HH1 ARG 100 2HH1 ARG 100 2.856 7.498 -9.797 964 1HH2 ARG 100 1HH2 ARG 100 1.976 6.379 -13.064 965 2HH2 ARG 100 2HH2 ARG 100 2.780 5.948 -11.623 966 QB ARG 100 QB ARG 100 -1.076 9.314 -11.412 967 QG ARG 100 QG ARG 100 -0.257 11.221 -12.664 968 QD ARG 100 QD ARG 100 1.725 10.525 -11.822 969 QH1 ARG 100 QH1 ARG 100 2.444 8.242 -9.871 970 QH2 ARG 100 QH2 ARG 100 2.378 6.163 -12.344 971 H PHE 101 H PHE 101 -2.512 9.860 -9.075 972 HA PHE 101 HA PHE 101 -5.022 8.381 -9.376 973 1HB PHE 101 2HB PHE 101 -2.562 7.693 -7.754 974 2HB PHE 101 1HB PHE 101 -4.107 6.871 -7.571 975 HD1 PHE 101 1HD PHE 101 -1.268 7.450 -9.853 976 HD2 PHE 101 2HD PHE 101 -4.866 5.295 -9.159 977 HE1 PHE 101 1HE PHE 101 -0.714 5.938 -11.709 978 HE2 PHE 101 2HE PHE 101 -4.321 3.782 -10.994 979 HZ PHE 101 HZ PHE 101 -2.247 4.101 -12.290 980 QB PHE 101 QB PHE 101 -3.335 7.282 -7.663 981 QD PHE 101 QD PHE 101 -3.067 6.373 -9.506 982 QE PHE 101 QE PHE 101 -2.517 4.860 -11.351 983 QR PHE 101 QR PHE 101 -2.683 5.313 -10.801 984 H ALA 102 H ALA 102 -5.505 10.714 -8.869 985 HA ALA 102 HA ALA 102 -5.080 12.112 -6.569 986 1HB ALA 102 1HB ALA 102 -6.078 13.050 -8.594 987 2HB ALA 102 2HB ALA 102 -6.950 13.506 -7.132 988 3HB ALA 102 3HB ALA 102 -7.600 12.255 -8.193 989 MB ALA 102 QB ALA 102 -6.876 12.937 -7.973 990 H GLY 103 H GLY 103 -6.856 9.380 -6.776 991 1HA GLY 103 1HA GLY 103 -8.917 9.052 -5.381 992 2HA GLY 103 2HA GLY 103 -7.924 9.798 -4.116 993 QA GLY 103 QA GLY 103 -8.421 9.425 -4.748 994 H TRP 104 H TRP 104 -6.880 8.400 -2.968 995 HA TRP 104 HA TRP 104 -5.407 6.240 -3.939 996 1HB TRP 104 2HB TRP 104 -4.672 6.202 -1.809 997 2HB TRP 104 1HB TRP 104 -5.979 7.222 -1.307 998 HD1 TRP 104 HD TRP 104 -4.687 3.671 -1.108 999 HE1 TRP 104 1HE TRP 104 -6.256 2.251 0.364 1000 HE3 TRP 104 3HE TRP 104 -8.580 6.965 -0.563 1001 HZ2 TRP 104 2HZ TRP 104 -8.821 2.539 1.572 1002 HZ3 TRP 104 3HZ TRP 104 -10.472 6.336 0.729 1003 HH2 TRP 104 HH TRP 104 -10.638 4.303 1.733 1004 QB TRP 104 QB TRP 104 -5.326 6.712 -1.558 1005 H HIS 105 H HIS 105 -5.695 4.098 -4.421 1006 HA HIS 105 HA HIS 105 -8.456 3.146 -4.358 1007 1HB HIS 105 2HB HIS 105 -6.171 2.806 -6.225 1008 2HB HIS 105 1HB HIS 105 -7.494 1.631 -6.244 1009 HD1 HIS 105 1HD HIS 105 -6.861 5.369 -6.778 1010 HD2 HIS 105 2HD HIS 105 -9.602 2.417 -7.811 1011 HE1 HIS 105 1HE HIS 105 -8.348 6.394 -8.485 1012 HE2 HIS 105 2HE HIS 105 -9.735 4.509 -9.313 1013 QB HIS 105 QB HIS 105 -6.832 2.218 -6.235 1014 H MET 106 H MET 106 -8.736 0.947 -3.849 1015 HA MET 106 HA MET 106 -6.442 -0.561 -2.882 1016 1HB MET 106 2HB MET 106 -7.844 0.801 -1.026 1017 2HB MET 106 1HB MET 106 -8.955 -0.541 -1.233 1018 1HG MET 106 2HG MET 106 -6.084 -0.684 -0.322 1019 2HG MET 106 1HG MET 106 -7.508 -0.918 0.669 1020 1HE MET 106 2HE MET 106 -6.313 -3.141 1.623 1021 2HE MET 106 1HE MET 106 -5.867 -4.512 0.606 1022 3HE MET 106 3HE MET 106 -4.935 -3.030 0.526 1023 QB MET 106 QB MET 106 -8.399 0.130 -1.130 1024 QG MET 106 QG MET 106 -6.796 -0.801 0.173 1025 ME MET 106 QE MET 106 -5.705 -3.561 0.918 1026 H GLN 107 H GLN 107 -6.790 -2.731 -3.406 1027 HA GLN 107 HA GLN 107 -8.913 -3.237 -5.199 1028 1HB GLN 107 2HB GLN 107 -8.097 -5.639 -5.200 1029 2HB GLN 107 1HB GLN 107 -6.907 -4.437 -5.645 1030 1HG GLN 107 2HG GLN 107 -5.784 -5.996 -4.305 1031 2HG GLN 107 1HG GLN 107 -6.040 -4.601 -3.269 1032 1HE2 GLN 107 1HE2 GLN 107 -8.489 -7.064 -4.042 1033 2HE2 GLN 107 2HE2 GLN 107 -8.555 -7.692 -2.442 1034 QB GLN 107 QB GLN 107 -7.502 -5.038 -5.423 1035 QG GLN 107 QG GLN 107 -5.912 -5.299 -3.787 1036 QE GLN 107 QE2 GLN 107 -8.522 -7.378 -3.242 1037 H LEU 108 H LEU 108 -8.566 -3.697 -1.816 1038 HA LEU 108 HA LEU 108 -11.153 -5.014 -1.763 1039 1HB LEU 108 2HB LEU 108 -9.081 -5.923 -0.487 1040 2HB LEU 108 1HB LEU 108 -9.304 -4.564 0.585 1041 HG LEU 108 HG LEU 108 -11.325 -6.780 0.156 1042 1HD1 LEU 108 2HD1 LEU 108 -9.366 -6.321 2.384 1043 2HD1 LEU 108 1HD1 LEU 108 -10.654 -7.529 2.381 1044 3HD1 LEU 108 3HD1 LEU 108 -9.347 -7.633 1.203 1045 1HD2 LEU 108 1HD2 LEU 108 -11.247 -4.589 2.244 1046 2HD2 LEU 108 3HD2 LEU 108 -12.392 -4.696 0.905 1047 3HD2 LEU 108 2HD2 LEU 108 -12.413 -5.912 2.181 1048 MD1 LEU 108 QD1 LEU 108 -9.789 -7.161 1.990 1049 MD2 LEU 108 QD2 LEU 108 -12.017 -5.066 1.777 1050 QB LEU 108 QB LEU 108 -9.192 -5.243 0.049 1051 QD LEU 108 QQD LEU 108 -10.903 -6.113 1.883 1052 H SER 109 H SER 109 -11.994 -2.958 -2.503 1053 HA SER 109 HA SER 109 -12.429 -1.119 -0.265 1054 1HB SER 109 2HB SER 109 -13.173 0.463 -2.067 1055 2HB SER 109 1HB SER 109 -11.493 -0.030 -2.239 1056 HG SER 109 HG SER 109 -13.639 -0.486 -3.846 1057 QB SER 109 QB SER 109 -12.333 0.216 -2.153 1058 H CYS 110 H CYS 110 -13.521 -3.772 -1.503 1059 HA CYS 110 HA CYS 110 -16.337 -3.267 -0.995 1060 1HB CYS 110 2HB CYS 110 -15.201 -4.868 -3.310 1061 2HB CYS 110 1HB CYS 110 -16.908 -4.700 -2.929 1062 HG CYS 110 HG CYS 110 -14.948 -2.772 -4.759 1063 QB CYS 110 QB CYS 110 -16.055 -4.784 -3.120 1064 H SER 111 H SER 111 -16.894 -4.683 0.582 1065 HA SER 111 HA SER 111 -15.112 -6.800 1.349 1066 1HB SER 111 2HB SER 111 -17.879 -6.234 2.373 1067 2HB SER 111 1HB SER 111 -16.570 -7.050 3.210 1068 HG SER 111 HG SER 111 -16.069 -5.201 3.970 1069 QB SER 111 QB SER 111 -17.224 -6.642 2.791 1070 H GLU 112 H GLU 112 -16.355 -8.986 1.927 1071 HA GLU 112 HA GLU 112 -17.621 -9.885 -0.554 1072 1HB GLU 112 2HB GLU 112 -16.474 -11.526 1.735 1073 2HB GLU 112 1HB GLU 112 -16.973 -12.079 0.130 1074 1HG GLU 112 2HG GLU 112 -15.197 -10.952 -0.922 1075 2HG GLU 112 1HG GLU 112 -14.794 -10.111 0.579 1076 QB GLU 112 QB GLU 112 -16.723 -11.802 0.932 1077 QG GLU 112 QG GLU 112 -14.995 -10.532 -0.172 1078 H ALA 113 H ALA 113 -18.636 -12.273 1.022 1079 HA ALA 113 HA ALA 113 -20.454 -13.053 2.043 1080 1HB ALA 113 2HB ALA 113 -21.511 -11.846 3.880 1081 2HB ALA 113 3HB ALA 113 -20.747 -10.341 3.367 1082 3HB ALA 113 1HB ALA 113 -19.763 -11.664 3.987 1083 MB ALA 113 QB ALA 113 -20.674 -11.284 3.745 1084 H ASP 114 H ASP 114 -20.546 -10.792 -0.230 1085 HA ASP 114 HA ASP 114 -23.447 -10.926 -0.519 1086 1HB ASP 114 2HB ASP 114 -23.188 -9.203 -2.222 1087 2HB ASP 114 1HB ASP 114 -22.326 -8.710 -0.773 1088 QB ASP 114 QB ASP 114 -22.757 -8.957 -1.498 1089 H MET 115 H MET 115 -20.404 -11.750 -2.050 1090 HA MET 115 HA MET 115 -21.703 -12.936 -4.283 1091 1HB MET 115 2HB MET 115 -18.805 -13.023 -3.453 1092 2HB MET 115 1HB MET 115 -19.426 -13.659 -4.967 1093 1HG MET 115 2HG MET 115 -20.161 -11.428 -5.613 1094 2HG MET 115 1HG MET 115 -19.565 -10.782 -4.087 1095 1HE MET 115 1HE MET 115 -18.760 -9.543 -6.850 1096 2HE MET 115 3HE MET 115 -18.119 -8.964 -5.314 1097 3HE MET 115 2HE MET 115 -17.020 -9.321 -6.641 1098 QB MET 115 QB MET 115 -19.115 -13.341 -4.210 1099 QG MET 115 QG MET 115 -19.863 -11.105 -4.850 1100 ME MET 115 QE MET 115 -17.966 -9.276 -6.268 1101 H ARG 116 H ARG 116 -19.944 -14.167 -1.476 1102 HA ARG 116 HA ARG 116 -19.872 -16.175 -0.405 1103 1HB ARG 116 2HB ARG 116 -22.517 -16.404 -1.737 1104 2HB ARG 116 1HB ARG 116 -21.801 -17.894 -1.140 1105 1HG ARG 116 2HG ARG 116 -23.322 -17.069 0.487 1106 2HG ARG 116 1HG ARG 116 -21.694 -16.826 1.103 1107 1HD ARG 116 2HD ARG 116 -23.126 -14.919 1.559 1108 2HD ARG 116 1HD ARG 116 -21.803 -14.485 0.477 1109 HE ARG 116 HE ARG 116 -23.386 -14.430 -1.343 1110 1HH1 ARG 116 1HH1 ARG 116 -25.015 -14.842 1.809 1111 2HH1 ARG 116 2HH1 ARG 116 -26.397 -14.012 1.295 1112 1HH2 ARG 116 1HH2 ARG 116 -25.272 -13.270 -1.952 1113 2HH2 ARG 116 2HH2 ARG 116 -26.553 -13.094 -0.854 1114 QB ARG 116 QB ARG 116 -22.159 -17.149 -1.439 1115 QG ARG 116 QG ARG 116 -22.508 -16.947 0.795 1116 QD ARG 116 QD ARG 116 -22.465 -14.702 1.018 1117 QH1 ARG 116 QH1 ARG 116 -25.706 -14.427 1.552 1118 QH2 ARG 116 QH2 ARG 116 -25.912 -13.182 -1.403 1119 H SER 117 H SER 117 -20.878 -16.918 -3.682 1120 HA SER 117 HA SER 117 -19.756 -19.530 -3.719 1121 1HB SER 117 2HB SER 117 -21.822 -18.717 -4.909 1122 2HB SER 117 1HB SER 117 -20.767 -17.882 -6.041 1123 HG SER 117 HG SER 117 -20.034 -19.773 -6.791 1124 QB SER 117 QB SER 117 -21.295 -18.300 -5.475 1125 H LEU 118 H LEU 118 -17.795 -17.328 -3.354 1126 HA LEU 118 HA LEU 118 -15.998 -17.608 -5.675 1127 1HB LEU 118 2HB LEU 118 -15.647 -16.078 -3.096 1128 2HB LEU 118 1HB LEU 118 -14.556 -16.040 -4.459 1129 HG LEU 118 HG LEU 118 -17.372 -14.971 -4.436 1130 1HD1 LEU 118 2HD1 LEU 118 -14.698 -13.580 -4.370 1131 2HD1 LEU 118 1HD1 LEU 118 -16.268 -12.786 -4.517 1132 3HD1 LEU 118 3HD1 LEU 118 -15.858 -13.672 -3.048 1133 1HD2 LEU 118 2HD2 LEU 118 -16.685 -15.766 -6.659 1134 2HD2 LEU 118 1HD2 LEU 118 -16.790 -14.006 -6.606 1135 3HD2 LEU 118 3HD2 LEU 118 -15.213 -14.797 -6.544 1136 MD1 LEU 118 QD1 LEU 118 -15.608 -13.346 -3.978 1137 MD2 LEU 118 QD2 LEU 118 -16.229 -14.856 -6.603 1138 QB LEU 118 QB LEU 118 -15.101 -16.059 -3.778 1139 QD LEU 118 QQD LEU 118 -15.919 -14.101 -5.291 1140 H GLY 119 H GLY 119 -16.774 -19.039 -2.757 1141 1HA GLY 119 1HA GLY 119 -14.073 -20.173 -2.441 1142 2HA GLY 119 2HA GLY 119 -15.566 -21.010 -2.017 1143 QA GLY 119 QA GLY 119 -14.819 -20.592 -2.229 1144 H LEU 120 H LEU 120 -16.541 -18.323 -1.082 1145 HA LEU 120 HA LEU 120 -15.033 -17.697 1.301 1146 1HB LEU 120 2HB LEU 120 -16.435 -16.023 0.061 1147 2HB LEU 120 1HB LEU 120 -17.824 -17.028 0.463 1148 HG LEU 120 HG LEU 120 -17.512 -16.550 2.837 1149 1HD1 LEU 120 1HD1 LEU 120 -15.117 -16.118 2.861 1150 2HD1 LEU 120 3HD1 LEU 120 -15.366 -14.634 1.932 1151 3HD1 LEU 120 2HD1 LEU 120 -16.016 -14.776 3.564 1152 1HD2 LEU 120 3HD2 LEU 120 -17.741 -14.122 1.071 1153 2HD2 LEU 120 2HD2 LEU 120 -19.051 -15.214 1.518 1154 3HD2 LEU 120 1HD2 LEU 120 -18.278 -14.216 2.746 1155 MD1 LEU 120 QD1 LEU 120 -15.499 -15.176 2.786 1156 MD2 LEU 120 QD2 LEU 120 -18.357 -14.517 1.778 1157 QB LEU 120 QB LEU 120 -17.129 -16.525 0.262 1158 QD LEU 120 QQD LEU 120 -16.928 -14.847 2.282 1159 H ALA 121 H ALA 121 -17.990 -19.302 0.344 1160 HA ALA 121 HA ALA 121 -18.481 -20.131 3.008 1161 1HB ALA 121 2HB ALA 121 -20.094 -20.457 0.488 1162 2HB ALA 121 1HB ALA 121 -20.616 -20.999 2.081 1163 3HB ALA 121 3HB ALA 121 -20.379 -19.277 1.768 1164 MB ALA 121 QB ALA 121 -20.363 -20.244 1.446 1165 H GLU 122 H GLU 122 -17.114 -21.604 3.372 1166 HA GLU 122 HA GLU 122 -15.704 -23.428 1.991 1167 1HB GLU 122 2HB GLU 122 -15.556 -23.050 4.431 1168 2HB GLU 122 1HB GLU 122 -17.019 -23.996 4.647 1169 1HG GLU 122 2HG GLU 122 -15.035 -25.301 5.170 1170 2HG GLU 122 1HG GLU 122 -15.896 -25.966 3.781 1171 QB GLU 122 QB GLU 122 -16.288 -23.523 4.539 1172 QG GLU 122 QG GLU 122 -15.466 -25.633 4.476 1173 H SER 123 H SER 123 -16.228 -24.867 0.543 1174 HA SER 123 HA SER 123 -18.858 -26.133 0.598 1175 1HB SER 123 2HB SER 123 -16.785 -26.059 -1.605 1176 2HB SER 123 1HB SER 123 -18.475 -26.556 -1.752 1177 HG SER 123 HG SER 123 -17.989 -24.043 -0.694 1178 QB SER 123 QB SER 123 -17.630 -26.307 -1.679 1179 H ARG 124 H ARG 124 -18.972 -28.197 1.417 1180 HA ARG 124 HA ARG 124 -16.840 -29.979 0.878 1181 1HB ARG 124 2HB ARG 124 -16.407 -30.670 3.167 1182 2HB ARG 124 1HB ARG 124 -16.061 -28.966 3.003 1183 1HG ARG 124 2HG ARG 124 -18.571 -30.090 4.246 1184 2HG ARG 124 1HG ARG 124 -17.144 -29.602 5.147 1185 1HD ARG 124 2HD ARG 124 -17.426 -27.309 4.287 1186 2HD ARG 124 1HD ARG 124 -18.884 -27.825 3.443 1187 HE ARG 124 HE ARG 124 -19.042 -28.511 6.148 1188 1HH1 ARG 124 1HH1 ARG 124 -19.363 -25.701 4.014 1189 2HH1 ARG 124 2HH1 ARG 124 -20.264 -24.782 5.122 1190 1HH2 ARG 124 1HH2 ARG 124 -20.248 -27.211 7.686 1191 2HH2 ARG 124 2HH2 ARG 124 -20.742 -25.639 7.267 1192 QB ARG 124 QB ARG 124 -16.234 -29.818 3.085 1193 QG ARG 124 QG ARG 124 -17.857 -29.846 4.696 1194 QD ARG 124 QD ARG 124 -18.155 -27.567 3.865 1195 QH1 ARG 124 QH1 ARG 124 -19.813 -25.241 4.568 1196 QH2 ARG 124 QH2 ARG 124 -20.495 -26.425 7.477 1197 H GLN 125 H GLN 125 -17.504 -31.841 0.633 1198 HA GLN 125 HA GLN 125 -20.330 -32.426 0.774 1199 1HB GLN 125 2HB GLN 125 -19.623 -34.639 -0.347 1200 2HB GLN 125 1HB GLN 125 -19.420 -33.151 -1.247 1201 1HG GLN 125 2HG GLN 125 -17.510 -34.517 -1.617 1202 2HG GLN 125 1HG GLN 125 -17.025 -33.145 -0.637 1203 1HE2 GLN 125 1HE2 GLN 125 -15.231 -34.124 0.184 1204 2HE2 GLN 125 2HE2 GLN 125 -15.296 -35.438 1.295 1205 QB GLN 125 QB GLN 125 -19.522 -33.895 -0.797 1206 QG GLN 125 QG GLN 125 -17.268 -33.831 -1.127 1207 QE GLN 125 QE2 GLN 125 -15.263 -34.781 0.740 No H/Q in entry = 1207 Start of MODEL 15 1 H1 LEU 5 2HT LEU 5 -6.236 31.960 -19.868 2 H2 LEU 5 1HT LEU 5 -7.784 32.578 -19.529 3 H3 LEU 5 3HT LEU 5 -6.414 33.316 -18.896 4 HA LEU 5 HA LEU 5 -7.403 32.079 -17.166 5 1HB LEU 5 2HB LEU 5 -8.130 30.352 -19.173 6 2HB LEU 5 1HB LEU 5 -6.748 29.525 -18.463 7 HG LEU 5 HG LEU 5 -8.736 28.614 -17.517 8 1HD1 LEU 5 1HD1 LEU 5 -6.918 28.896 -15.948 9 2HD1 LEU 5 3HD1 LEU 5 -7.542 30.478 -15.489 10 3HD1 LEU 5 2HD1 LEU 5 -8.487 29.030 -15.149 11 1HD2 LEU 5 2HD2 LEU 5 -10.249 30.407 -18.066 12 2HD2 LEU 5 1HD2 LEU 5 -10.404 29.958 -16.364 13 3HD2 LEU 5 3HD2 LEU 5 -9.532 31.424 -16.818 14 MD1 LEU 5 QD1 LEU 5 -7.649 29.468 -15.529 15 MD2 LEU 5 QD2 LEU 5 -10.062 30.596 -17.083 16 QB LEU 5 QB LEU 5 -7.439 29.938 -18.818 17 QD LEU 5 QQD LEU 5 -8.855 30.032 -16.306 18 H GLU 6 H GLU 6 -5.825 31.810 -15.674 19 HA GLU 6 HA GLU 6 -3.143 31.412 -16.649 20 1HB GLU 6 2HB GLU 6 -3.676 33.391 -15.205 21 2HB GLU 6 1HB GLU 6 -4.078 32.207 -13.957 22 1HG GLU 6 2HG GLU 6 -1.895 33.335 -13.798 23 2HG GLU 6 1HG GLU 6 -1.815 31.562 -13.749 24 QB GLU 6 QB GLU 6 -3.877 32.799 -14.581 25 QG GLU 6 QG GLU 6 -1.855 32.449 -13.773 26 H ALA 7 H ALA 7 -1.754 30.001 -15.592 27 HA ALA 7 HA ALA 7 -2.950 27.459 -15.033 28 1HB ALA 7 1HB ALA 7 -0.650 26.676 -14.740 29 2HB ALA 7 2HB ALA 7 -0.072 28.344 -14.795 30 3HB ALA 7 3HB ALA 7 -0.818 27.619 -16.223 31 MB ALA 7 QB ALA 7 -0.513 27.546 -15.253 32 H ASP 8 H ASP 8 -3.086 26.406 -13.119 33 HA ASP 8 HA ASP 8 -3.498 27.924 -10.774 34 1HB ASP 8 2HB ASP 8 -4.710 25.894 -11.062 35 2HB ASP 8 1HB ASP 8 -3.241 24.959 -11.246 36 QB ASP 8 QB ASP 8 -3.975 25.426 -11.154 37 H VAL 9 H VAL 9 -1.018 25.351 -11.090 38 HA VAL 9 HA VAL 9 0.716 27.115 -9.791 39 HB VAL 9 HB VAL 9 1.690 25.183 -8.484 40 1HG1 VAL 9 3HG1 VAL 9 -1.191 25.921 -7.969 41 2HG1 VAL 9 2HG1 VAL 9 -0.129 25.167 -6.776 42 3HG1 VAL 9 1HG1 VAL 9 0.224 26.788 -7.383 43 1HG2 VAL 9 2HG2 VAL 9 -0.813 23.921 -9.487 44 2HG2 VAL 9 1HG2 VAL 9 0.832 23.456 -9.894 45 3HG2 VAL 9 3HG2 VAL 9 0.235 23.195 -8.234 46 MG1 VAL 9 QG1 VAL 9 -0.365 25.958 -7.376 47 MG2 VAL 9 QG2 VAL 9 0.085 23.524 -9.205 48 QG VAL 9 QQG VAL 9 -0.140 24.741 -8.291 49 H THR 10 H THR 10 0.115 25.875 -12.411 50 HA THR 10 HA THR 10 1.001 25.212 -14.335 51 HB THR 10 HB THR 10 3.277 25.350 -14.857 52 HG1 THR 10 1HG THR 10 3.630 25.466 -12.080 53 1HG2 THR 10 2HG2 THR 10 2.377 27.689 -13.205 54 2HG2 THR 10 1HG2 THR 10 3.725 27.760 -14.346 55 3HG2 THR 10 3HG2 THR 10 2.092 27.411 -14.917 56 MG THR 10 QG2 THR 10 2.731 27.620 -14.156 57 H MET 11 H MET 11 2.693 23.507 -15.309 58 HA MET 11 HA MET 11 1.577 21.106 -14.369 59 1HB MET 11 2HB MET 11 3.693 21.673 -16.435 60 2HB MET 11 1HB MET 11 3.044 20.076 -16.108 61 1HG MET 11 2HG MET 11 0.832 20.773 -16.777 62 2HG MET 11 1HG MET 11 1.378 22.435 -16.972 63 1HE MET 11 1HE MET 11 1.671 18.758 -18.294 64 2HE MET 11 3HE MET 11 2.736 18.948 -19.685 65 3HE MET 11 2HE MET 11 3.369 19.186 -18.058 66 QB MET 11 QB MET 11 3.368 20.874 -16.271 67 QG MET 11 QG MET 11 1.105 21.604 -16.875 68 ME MET 11 QE MET 11 2.592 18.964 -18.679 69 H THR 12 H THR 12 3.026 19.167 -14.081 70 HA THR 12 HA THR 12 4.241 17.950 -12.754 71 HB THR 12 HB THR 12 6.399 18.485 -11.990 72 HG1 THR 12 1HG THR 12 5.724 21.109 -12.688 73 1HG2 THR 12 2HG2 THR 12 6.141 17.601 -14.183 74 2HG2 THR 12 1HG2 THR 12 5.943 19.209 -14.867 75 3HG2 THR 12 3HG2 THR 12 7.502 18.715 -14.203 76 MG THR 12 QG2 THR 12 6.529 18.508 -14.418 77 H GLY 13 H GLY 13 2.652 20.496 -11.576 78 1HA GLY 13 1HA GLY 13 2.309 19.068 -9.107 79 2HA GLY 13 2HA GLY 13 1.439 20.502 -9.625 80 QA GLY 13 QA GLY 13 1.874 19.785 -9.366 81 H SER 14 H SER 14 4.294 19.311 -8.062 82 HA SER 14 HA SER 14 5.232 21.912 -7.337 83 1HB SER 14 2HB SER 14 4.871 21.484 -4.842 84 2HB SER 14 1HB SER 14 3.425 21.877 -5.770 85 HG SER 14 HG SER 14 2.755 20.145 -4.772 86 QB SER 14 QB SER 14 4.148 21.681 -5.306 87 H ASP 15 H ASP 15 5.296 18.662 -5.870 88 HA ASP 15 HA ASP 15 7.877 17.922 -6.649 89 1HB ASP 15 2HB ASP 15 8.243 19.778 -4.790 90 2HB ASP 15 1HB ASP 15 7.596 18.548 -3.778 91 QB ASP 15 QB ASP 15 7.919 19.163 -4.284 92 H LEU 16 H LEU 16 6.471 16.237 -7.024 93 HA LEU 16 HA LEU 16 5.690 14.823 -4.639 94 1HB LEU 16 2HB LEU 16 4.549 14.521 -7.399 95 2HB LEU 16 1HB LEU 16 4.003 13.708 -5.945 96 HG LEU 16 HG LEU 16 2.372 15.243 -6.358 97 1HD1 LEU 16 3HD1 LEU 16 2.935 15.428 -4.079 98 2HD1 LEU 16 2HD1 LEU 16 4.118 16.692 -4.430 99 3HD1 LEU 16 1HD1 LEU 16 2.406 16.994 -4.699 100 1HD2 LEU 16 1HD2 LEU 16 4.442 17.278 -7.112 101 2HD2 LEU 16 3HD2 LEU 16 3.334 16.381 -8.161 102 3HD2 LEU 16 2HD2 LEU 16 2.695 17.577 -7.024 103 MD1 LEU 16 QD1 LEU 16 3.153 16.371 -4.403 104 MD2 LEU 16 QD2 LEU 16 3.490 17.079 -7.432 105 QB LEU 16 QB LEU 16 4.276 14.114 -6.672 106 QD LEU 16 QQD LEU 16 3.322 16.725 -5.917 107 H VAL 17 H VAL 17 5.724 12.664 -4.776 108 HA VAL 17 HA VAL 17 7.715 11.633 -6.376 109 HB VAL 17 HB VAL 17 7.972 11.996 -3.405 110 1HG1 VAL 17 3HG1 VAL 17 9.076 9.919 -5.088 111 2HG1 VAL 17 2HG1 VAL 17 9.841 10.346 -3.501 112 3HG1 VAL 17 1HG1 VAL 17 8.139 9.716 -3.598 113 1HG2 VAL 17 3HG2 VAL 17 9.186 13.517 -4.936 114 2HG2 VAL 17 2HG2 VAL 17 10.275 12.588 -3.906 115 3HG2 VAL 17 1HG2 VAL 17 10.044 12.129 -5.590 116 MG1 VAL 17 QG1 VAL 17 9.019 9.994 -4.062 117 MG2 VAL 17 QG2 VAL 17 9.835 12.745 -4.811 118 QG VAL 17 QQG VAL 17 9.427 11.369 -4.436 119 H SER 18 H SER 18 7.550 9.302 -6.223 120 HA SER 18 HA SER 18 5.160 8.252 -4.923 121 1HB SER 18 2HB SER 18 4.773 8.847 -7.374 122 2HB SER 18 1HB SER 18 5.917 7.566 -7.759 123 HG SER 18 HG SER 18 3.834 6.980 -6.025 124 QB SER 18 QB SER 18 5.345 8.206 -7.566 125 H CYS 19 H CYS 19 5.915 6.772 -3.624 126 HA CYS 19 HA CYS 19 8.228 5.187 -4.363 127 1HB CYS 19 2HB CYS 19 6.667 5.370 -1.770 128 2HB CYS 19 1HB CYS 19 8.140 4.433 -2.012 129 HG CYS 19 HG CYS 19 9.799 6.388 -1.450 130 QB CYS 19 QB CYS 19 7.403 4.901 -1.891 131 H CYS 20 H CYS 20 7.924 3.251 -5.226 132 HA CYS 20 HA CYS 20 5.198 2.113 -5.224 133 1HB CYS 20 2HB CYS 20 7.395 1.645 -7.240 134 2HB CYS 20 1HB CYS 20 5.683 1.259 -7.392 135 HG CYS 20 HG CYS 20 7.294 3.914 -8.287 136 QB CYS 20 QB CYS 20 6.539 1.452 -7.316 137 H TYR 21 H TYR 21 5.245 0.385 -3.768 138 HA TYR 21 HA TYR 21 7.870 -0.855 -3.627 139 1HB TYR 21 2HB TYR 21 7.726 -1.193 -1.397 140 2HB TYR 21 1HB TYR 21 7.179 0.415 -1.700 141 HD1 TYR 21 1HD TYR 21 5.558 -2.951 -1.021 142 HD2 TYR 21 2HD TYR 21 5.592 1.253 -0.461 143 HE1 TYR 21 1HE TYR 21 3.695 -3.142 0.660 144 HE2 TYR 21 2HE TYR 21 3.834 1.087 1.119 145 HH TYR 21 HH TYR 21 1.967 -0.557 1.752 146 QB TYR 21 QB TYR 21 7.453 -0.389 -1.549 147 QD TYR 21 QD TYR 21 5.575 -0.849 -0.741 148 QE TYR 21 QE TYR 21 3.764 -1.027 0.890 149 QR TYR 21 QR TYR 21 4.670 -0.938 0.074 150 H ARG 22 H ARG 22 8.149 -2.943 -3.482 151 HA ARG 22 HA ARG 22 5.892 -4.674 -4.145 152 1HB ARG 22 2HB ARG 22 7.933 -4.485 -5.702 153 2HB ARG 22 1HB ARG 22 8.863 -5.218 -4.418 154 1HG ARG 22 2HG ARG 22 6.516 -6.528 -5.799 155 2HG ARG 22 1HG ARG 22 8.201 -6.793 -6.213 156 1HD ARG 22 2HD ARG 22 6.884 -7.457 -3.573 157 2HD ARG 22 1HD ARG 22 7.309 -8.615 -4.826 158 HE ARG 22 HE ARG 22 9.116 -7.216 -3.013 159 1HH1 ARG 22 1HH1 ARG 22 8.751 -9.460 -5.761 160 2HH1 ARG 22 2HH1 ARG 22 10.247 -10.230 -5.513 161 1HH2 ARG 22 1HH2 ARG 22 11.211 -8.326 -2.677 162 2HH2 ARG 22 2HH2 ARG 22 11.641 -9.577 -3.764 163 QB ARG 22 QB ARG 22 8.398 -4.852 -5.060 164 QG ARG 22 QG ARG 22 7.359 -6.660 -6.006 165 QD ARG 22 QD ARG 22 7.097 -8.036 -4.200 166 QH1 ARG 22 QH1 ARG 22 9.499 -9.845 -5.637 167 QH2 ARG 22 QH2 ARG 22 11.426 -8.951 -3.220 168 H SER 23 H SER 23 5.208 -5.634 -2.371 169 HA SER 23 HA SER 23 7.140 -6.387 -0.325 170 1HB SER 23 2HB SER 23 5.840 -4.397 0.333 171 2HB SER 23 1HB SER 23 4.416 -5.360 -0.034 172 HG SER 23 HG SER 23 4.964 -6.749 1.666 173 QB SER 23 QB SER 23 5.128 -4.879 0.149 174 H LEU 24 H LEU 24 6.299 -8.187 0.937 175 HA LEU 24 HA LEU 24 4.330 -9.744 -0.534 176 1HB LEU 24 2HB LEU 24 6.523 -10.560 1.399 177 2HB LEU 24 1HB LEU 24 5.235 -11.646 0.936 178 HG LEU 24 HG LEU 24 7.203 -12.225 -0.296 179 1HD1 LEU 24 1HD1 LEU 24 5.125 -12.458 -1.490 180 2HD1 LEU 24 3HD1 LEU 24 5.282 -10.821 -2.130 181 3HD1 LEU 24 2HD1 LEU 24 6.445 -12.068 -2.584 182 1HD2 LEU 24 2HD2 LEU 24 7.271 -9.391 -1.323 183 2HD2 LEU 24 1HD2 LEU 24 8.455 -10.109 -0.226 184 3HD2 LEU 24 3HD2 LEU 24 8.300 -10.698 -1.888 185 MD1 LEU 24 QD1 LEU 24 5.617 -11.782 -2.068 186 MD2 LEU 24 QD2 LEU 24 8.009 -10.066 -1.145 187 QB LEU 24 QB LEU 24 5.879 -11.103 1.168 188 QD LEU 24 QQD LEU 24 6.813 -10.924 -1.607 189 H ALA 25 H ALA 25 3.067 -11.087 1.199 190 HA ALA 25 HA ALA 25 2.463 -9.322 3.465 191 1HB ALA 25 2HB ALA 25 0.594 -11.067 1.879 192 2HB ALA 25 3HB ALA 25 0.661 -9.304 1.817 193 3HB ALA 25 1HB ALA 25 0.157 -10.119 3.298 194 MB ALA 25 QB ALA 25 0.471 -10.164 2.331 195 H ALA 26 H ALA 26 2.293 -10.375 5.474 196 HA ALA 26 HA ALA 26 3.550 -12.789 5.536 197 1HB ALA 26 2HB ALA 26 3.835 -11.159 7.194 198 2HB ALA 26 1HB ALA 26 2.112 -11.145 7.586 199 3HB ALA 26 3HB ALA 26 3.091 -12.583 7.969 200 MB ALA 26 QB ALA 26 3.013 -11.629 7.583 201 HA PRO 27 HA PRO 27 0.017 -15.394 4.738 202 1HB PRO 27 2HB PRO 27 0.941 -17.621 6.019 203 2HB PRO 27 1HB PRO 27 1.562 -17.067 4.453 204 1HG PRO 27 2HG PRO 27 2.577 -16.278 7.177 205 2HG PRO 27 1HG PRO 27 3.526 -17.124 5.891 206 1HD PRO 27 2HD PRO 27 3.738 -14.624 6.221 207 2HD PRO 27 1HD PRO 27 3.316 -15.148 4.566 208 QB PRO 27 QB PRO 27 1.252 -17.344 5.236 209 QG PRO 27 QG PRO 27 3.052 -16.701 6.534 210 QD PRO 27 QD PRO 27 3.527 -14.886 5.394 211 H ASP 28 H ASP 28 0.796 -14.313 7.678 212 HA ASP 28 HA ASP 28 -1.458 -15.639 9.014 213 1HB ASP 28 2HB ASP 28 -0.254 -15.509 11.130 214 2HB ASP 28 1HB ASP 28 0.690 -16.382 9.931 215 QB ASP 28 QB ASP 28 0.218 -15.945 10.531 216 H LEU 29 H LEU 29 -1.009 -12.970 7.538 217 HA LEU 29 HA LEU 29 -1.316 -10.944 9.476 218 1HB LEU 29 2HB LEU 29 -2.085 -10.975 6.588 219 2HB LEU 29 1HB LEU 29 -2.294 -9.586 7.621 220 HG LEU 29 HG LEU 29 0.301 -10.860 6.811 221 1HD1 LEU 29 1HD1 LEU 29 -0.943 -9.495 5.161 222 2HD1 LEU 29 3HD1 LEU 29 -0.823 -8.134 6.284 223 3HD1 LEU 29 2HD1 LEU 29 0.649 -8.868 5.594 224 1HD2 LEU 29 1HD2 LEU 29 -0.233 -8.519 8.643 225 2HD2 LEU 29 3HD2 LEU 29 0.501 -10.058 9.106 226 3HD2 LEU 29 2HD2 LEU 29 1.345 -8.969 8.011 227 MD1 LEU 29 QD1 LEU 29 -0.372 -8.832 5.680 228 MD2 LEU 29 QD2 LEU 29 0.538 -9.182 8.587 229 QB LEU 29 QB LEU 29 -2.189 -10.281 7.104 230 QD LEU 29 QQD LEU 29 0.083 -9.007 7.133 231 H THR 30 H THR 30 -2.931 -10.167 10.479 232 HA THR 30 HA THR 30 -5.427 -11.451 10.562 233 HB THR 30 HB THR 30 -5.642 -9.289 11.913 234 HG1 THR 30 1HG THR 30 -3.646 -8.353 12.277 235 1HG2 THR 30 3HG2 THR 30 -4.133 -11.753 12.594 236 2HG2 THR 30 2HG2 THR 30 -4.758 -10.603 13.817 237 3HG2 THR 30 1HG2 THR 30 -5.876 -11.453 12.707 238 MG THR 30 QG2 THR 30 -4.922 -11.270 13.039 239 H LEU 31 H LEU 31 -7.263 -10.779 9.752 240 HA LEU 31 HA LEU 31 -7.610 -8.949 7.629 241 1HB LEU 31 2HB LEU 31 -9.222 -10.738 8.453 242 2HB LEU 31 1HB LEU 31 -9.376 -9.625 9.826 243 HG LEU 31 HG LEU 31 -10.436 -7.956 8.452 244 1HD1 LEU 31 1HD1 LEU 31 -9.306 -8.448 6.351 245 2HD1 LEU 31 3HD1 LEU 31 -10.318 -9.900 6.154 246 3HD1 LEU 31 2HD1 LEU 31 -11.041 -8.277 6.216 247 1HD2 LEU 31 3HD2 LEU 31 -11.710 -10.659 8.149 248 2HD2 LEU 31 2HD2 LEU 31 -11.836 -9.574 9.537 249 3HD2 LEU 31 1HD2 LEU 31 -12.539 -9.106 7.987 250 MD1 LEU 31 QD1 LEU 31 -10.221 -8.875 6.240 251 MD2 LEU 31 QD2 LEU 31 -12.028 -9.780 8.558 252 QB LEU 31 QB LEU 31 -9.299 -10.181 9.139 253 QD LEU 31 QQD LEU 31 -11.125 -9.327 7.399 254 H ARG 32 H ARG 32 -7.792 -8.575 11.124 255 HA ARG 32 HA ARG 32 -8.832 -5.972 11.009 256 1HB ARG 32 2HB ARG 32 -8.817 -7.365 13.054 257 2HB ARG 32 1HB ARG 32 -7.081 -7.131 13.167 258 1HG ARG 32 2HG ARG 32 -8.237 -5.624 14.677 259 2HG ARG 32 1HG ARG 32 -7.404 -4.740 13.388 260 1HD ARG 32 2HD ARG 32 -9.459 -4.337 12.213 261 2HD ARG 32 1HD ARG 32 -10.344 -5.417 13.268 262 HE ARG 32 HE ARG 32 -9.375 -3.663 15.009 263 1HH1 ARG 32 1HH1 ARG 32 -11.072 -3.052 11.945 264 2HH1 ARG 32 2HH1 ARG 32 -11.816 -1.636 12.501 265 1HH2 ARG 32 1HH2 ARG 32 -10.468 -1.777 15.759 266 2HH2 ARG 32 2HH2 ARG 32 -11.498 -0.901 14.743 267 QB ARG 32 QB ARG 32 -7.949 -7.248 13.110 268 QG ARG 32 QG ARG 32 -7.821 -5.182 14.033 269 QD ARG 32 QD ARG 32 -9.902 -4.877 12.740 270 QH1 ARG 32 QH1 ARG 32 -11.444 -2.344 12.223 271 QH2 ARG 32 QH2 ARG 32 -10.983 -1.339 15.251 272 H ASP 33 H ASP 33 -5.639 -7.211 10.638 273 HA ASP 33 HA ASP 33 -4.313 -4.698 10.821 274 1HB ASP 33 2HB ASP 33 -3.556 -7.456 10.070 275 2HB ASP 33 1HB ASP 33 -2.527 -6.200 9.436 276 QB ASP 33 QB ASP 33 -3.042 -6.828 9.753 277 H LEU 34 H LEU 34 -5.862 -6.498 8.193 278 HA LEU 34 HA LEU 34 -4.684 -4.734 6.206 279 1HB LEU 34 2HB LEU 34 -7.098 -6.556 5.926 280 2HB LEU 34 1HB LEU 34 -6.521 -5.549 4.631 281 HG LEU 34 HG LEU 34 -5.870 -7.868 4.299 282 1HD1 LEU 34 1HD1 LEU 34 -3.493 -6.163 5.011 283 2HD1 LEU 34 3HD1 LEU 34 -3.461 -7.611 4.021 284 3HD1 LEU 34 2HD1 LEU 34 -4.324 -6.181 3.450 285 1HD2 LEU 34 1HD2 LEU 34 -5.881 -8.316 6.685 286 2HD2 LEU 34 3HD2 LEU 34 -4.489 -9.039 5.824 287 3HD2 LEU 34 2HD2 LEU 34 -4.277 -7.532 6.752 288 MD1 LEU 34 QD1 LEU 34 -3.759 -6.651 4.161 289 MD2 LEU 34 QD2 LEU 34 -4.882 -8.296 6.420 290 QB LEU 34 QB LEU 34 -6.809 -6.052 5.278 291 QD LEU 34 QQD LEU 34 -4.321 -7.474 5.290 292 H LEU 35 H LEU 35 -7.505 -4.956 8.020 293 HA LEU 35 HA LEU 35 -8.872 -2.790 6.802 294 1HB LEU 35 2HB LEU 35 -9.252 -4.305 9.369 295 2HB LEU 35 1HB LEU 35 -10.235 -2.902 9.008 296 HG LEU 35 HG LEU 35 -11.242 -5.206 8.470 297 1HD1 LEU 35 1HD1 LEU 35 -12.140 -3.076 7.558 298 2HD1 LEU 35 3HD1 LEU 35 -10.984 -3.176 6.228 299 3HD1 LEU 35 2HD1 LEU 35 -12.259 -4.384 6.383 300 1HD2 LEU 35 1HD2 LEU 35 -9.223 -6.165 7.400 301 2HD2 LEU 35 3HD2 LEU 35 -10.610 -6.192 6.300 302 3HD2 LEU 35 2HD2 LEU 35 -9.324 -4.972 6.160 303 MD1 LEU 35 QD1 LEU 35 -11.794 -3.545 6.723 304 MD2 LEU 35 QD2 LEU 35 -9.719 -5.776 6.620 305 QB LEU 35 QB LEU 35 -9.743 -3.604 9.188 306 QD LEU 35 QQD LEU 35 -10.757 -4.661 6.671 307 H ASP 36 H ASP 36 -6.888 -3.149 9.612 308 HA ASP 36 HA ASP 36 -6.872 -0.502 10.576 309 1HB ASP 36 2HB ASP 36 -5.813 -2.389 11.716 310 2HB ASP 36 1HB ASP 36 -4.551 -2.449 10.494 311 QB ASP 36 QB ASP 36 -5.182 -2.419 11.105 312 H ILE 37 H ILE 37 -4.963 -2.026 8.032 313 HA ILE 37 HA ILE 37 -3.339 0.090 7.266 314 HB ILE 37 HB ILE 37 -4.686 -1.959 5.469 315 1HG1 ILE 37 2HG1 ILE 37 -1.816 -1.936 6.331 316 2HG1 ILE 37 1HG1 ILE 37 -3.004 -2.784 7.281 317 1HG2 ILE 37 3HG2 ILE 37 -4.004 -0.060 4.145 318 2HG2 ILE 37 2HG2 ILE 37 -2.379 -0.129 4.829 319 3HG2 ILE 37 1HG2 ILE 37 -2.956 -1.437 3.796 320 1HD1 ILE 37 3HD1 ILE 37 -3.544 -3.973 4.966 321 2HD1 ILE 37 2HD1 ILE 37 -1.961 -3.369 4.539 322 3HD1 ILE 37 1HD1 ILE 37 -2.128 -4.467 5.898 323 MG ILE 37 QG2 ILE 37 -3.113 -0.542 4.257 324 MD ILE 37 QD1 ILE 37 -2.544 -3.937 5.134 325 QG ILE 37 QG1 ILE 37 -2.410 -2.360 6.806 326 H VAL 38 H VAL 38 -6.468 -0.844 5.824 327 HA VAL 38 HA VAL 38 -6.611 1.409 4.157 328 HB VAL 38 HB VAL 38 -7.805 -0.680 3.573 329 1HG1 VAL 38 2HG1 VAL 38 -8.420 -1.384 5.677 330 2HG1 VAL 38 1HG1 VAL 38 -9.650 -0.121 5.822 331 3HG1 VAL 38 3HG1 VAL 38 -9.809 -1.387 4.590 332 1HG2 VAL 38 2HG2 VAL 38 -9.703 1.641 3.893 333 2HG2 VAL 38 1HG2 VAL 38 -8.618 1.382 2.530 334 3HG2 VAL 38 3HG2 VAL 38 -9.940 0.256 2.826 335 MG1 VAL 38 QG1 VAL 38 -9.293 -0.964 5.363 336 MG2 VAL 38 QG2 VAL 38 -9.421 1.093 3.083 337 QG VAL 38 QQG VAL 38 -9.357 0.064 4.223 338 H GLU 39 H GLU 39 -8.158 0.817 7.264 339 HA GLU 39 HA GLU 39 -9.714 3.157 7.212 340 1HB GLU 39 2HB GLU 39 -8.850 1.364 9.457 341 2HB GLU 39 1HB GLU 39 -10.012 2.657 9.685 342 1HG GLU 39 2HG GLU 39 -11.485 1.582 8.020 343 2HG GLU 39 1HG GLU 39 -10.291 0.305 7.819 344 QB GLU 39 QB GLU 39 -9.431 2.010 9.571 345 QG GLU 39 QG GLU 39 -10.888 0.943 7.919 346 H THR 40 H THR 40 -6.436 2.548 8.261 347 HA THR 40 HA THR 40 -6.209 5.163 9.448 348 HB THR 40 HB THR 40 -4.065 3.154 8.770 349 HG1 THR 40 1HG THR 40 -4.931 2.139 10.319 350 1HG2 THR 40 2HG2 THR 40 -4.028 5.601 10.553 351 2HG2 THR 40 1HG2 THR 40 -2.731 4.411 10.440 352 3HG2 THR 40 3HG2 THR 40 -3.153 5.379 9.038 353 MG THR 40 QG2 THR 40 -3.304 5.130 10.010 354 H SER 41 H SER 41 -4.937 3.578 6.504 355 HA SER 41 HA SER 41 -3.167 5.487 5.648 356 1HB SER 41 2HB SER 41 -3.552 4.472 3.367 357 2HB SER 41 1HB SER 41 -3.115 3.357 4.669 358 HG SER 41 HG SER 41 -5.046 2.538 4.653 359 QB SER 41 QB SER 41 -3.334 3.914 4.018 360 H GLN 42 H GLN 42 -6.498 5.161 4.477 361 HA GLN 42 HA GLN 42 -6.611 7.303 2.712 362 1HB GLN 42 2HB GLN 42 -8.710 6.320 4.597 363 2HB GLN 42 1HB GLN 42 -9.022 7.451 3.292 364 1HG GLN 42 2HG GLN 42 -8.640 5.877 1.647 365 2HG GLN 42 1HG GLN 42 -7.737 4.835 2.746 366 1HE2 GLN 42 1HE2 GLN 42 -9.684 5.020 4.900 367 2HE2 GLN 42 2HE2 GLN 42 -10.964 4.020 4.323 368 QB GLN 42 QB GLN 42 -8.866 6.885 3.945 369 QG GLN 42 QG GLN 42 -8.188 5.356 2.196 370 QE GLN 42 QE2 GLN 42 -10.324 4.520 4.611 371 H ALA 43 H ALA 43 -7.168 7.345 6.168 372 HA ALA 43 HA ALA 43 -7.955 10.086 6.238 373 1HB ALA 43 2HB ALA 43 -8.146 9.714 8.620 374 2HB ALA 43 3HB ALA 43 -7.161 8.242 8.475 375 3HB ALA 43 1HB ALA 43 -8.748 8.298 7.721 376 MB ALA 43 QB ALA 43 -8.018 8.751 8.272 377 H HIS 44 H HIS 44 -4.963 8.395 6.731 378 HA HIS 44 HA HIS 44 -3.492 10.755 7.628 379 1HB HIS 44 2HB HIS 44 -2.882 8.292 8.185 380 2HB HIS 44 1HB HIS 44 -2.442 8.197 6.477 381 HD1 HIS 44 1HD HIS 44 -0.280 7.571 8.533 382 HD2 HIS 44 2HD HIS 44 -0.880 11.355 6.945 383 HE1 HIS 44 1HE HIS 44 1.914 8.762 8.644 384 HE2 HIS 44 2HE HIS 44 1.615 10.875 7.609 385 QB HIS 44 QB HIS 44 -2.662 8.245 7.331 386 H ASN 45 H ASN 45 -3.945 8.956 4.620 387 HA ASN 45 HA ASN 45 -2.093 10.485 3.137 388 1HB ASN 45 2HB ASN 45 -4.302 8.622 2.293 389 2HB ASN 45 1HB ASN 45 -3.343 9.513 1.115 390 1HD2 ASN 45 1HD2 ASN 45 -2.527 7.597 0.270 391 2HD2 ASN 45 2HD2 ASN 45 -1.363 6.639 1.117 392 QB ASN 45 QB ASN 45 -3.822 9.068 1.704 393 QD ASN 45 QD2 ASN 45 -1.945 7.118 0.693 394 H ALA 46 H ALA 46 -5.546 10.782 3.677 395 HA ALA 46 HA ALA 46 -6.060 12.897 1.937 396 1HB ALA 46 2HB ALA 46 -7.867 13.502 3.488 397 2HB ALA 46 3HB ALA 46 -7.137 12.477 4.726 398 3HB ALA 46 1HB ALA 46 -7.812 11.753 3.264 399 MB ALA 46 QB ALA 46 -7.605 12.577 3.826 400 H ARG 47 H ARG 47 -4.858 12.818 5.217 401 HA ARG 47 HA ARG 47 -4.489 15.573 5.639 402 1HB ARG 47 2HB ARG 47 -4.414 13.717 7.385 403 2HB ARG 47 1HB ARG 47 -2.781 13.415 6.796 404 1HG ARG 47 2HG ARG 47 -2.115 15.661 7.334 405 2HG ARG 47 1HG ARG 47 -3.734 15.998 7.970 406 1HD ARG 47 2HD ARG 47 -2.428 15.577 9.853 407 2HD ARG 47 1HD ARG 47 -3.267 14.057 9.572 408 HE ARG 47 HE ARG 47 -0.915 13.689 8.275 409 1HH1 ARG 47 1HH1 ARG 47 -1.604 14.937 11.514 410 2HH1 ARG 47 2HH1 ARG 47 -0.207 14.273 12.220 411 1HH2 ARG 47 1HH2 ARG 47 1.030 12.814 9.253 412 2HH2 ARG 47 2HH2 ARG 47 1.337 13.056 10.897 413 QB ARG 47 QB ARG 47 -3.597 13.566 7.090 414 QG ARG 47 QG ARG 47 -2.925 15.829 7.652 415 QD ARG 47 QD ARG 47 -2.847 14.817 9.712 416 QH1 ARG 47 QH1 ARG 47 -0.905 14.605 11.867 417 QH2 ARG 47 QH2 ARG 47 1.183 12.935 10.075 418 H ALA 48 H ALA 48 -2.158 13.064 4.751 419 HA ALA 48 HA ALA 48 -0.096 14.931 4.497 420 1HB ALA 48 3HB ALA 48 0.276 12.514 5.109 421 2HB ALA 48 1HB ALA 48 1.301 13.151 3.817 422 3HB ALA 48 2HB ALA 48 -0.076 12.112 3.436 423 MB ALA 48 QB ALA 48 0.500 12.592 4.120 424 H GLN 49 H GLN 49 -2.639 14.284 2.428 425 HA GLN 49 HA GLN 49 -3.254 15.074 0.394 426 1HB GLN 49 2HB GLN 49 -0.542 16.409 0.425 427 2HB GLN 49 1HB GLN 49 -1.823 16.790 -0.759 428 1HG GLN 49 2HG GLN 49 -2.824 18.088 0.763 429 2HG GLN 49 1HG GLN 49 -2.527 16.794 1.967 430 1HE2 GLN 49 1HE2 GLN 49 -0.892 16.917 3.316 431 2HE2 GLN 49 2HE2 GLN 49 0.298 18.136 3.421 432 QB GLN 49 QB GLN 49 -1.183 16.600 -0.167 433 QG GLN 49 QG GLN 49 -2.675 17.441 1.365 434 QE GLN 49 QE2 GLN 49 -0.297 17.526 3.369 435 H LEU 50 H LEU 50 -1.822 12.739 0.956 436 HA LEU 50 HA LEU 50 -0.381 11.931 -1.408 437 1HB LEU 50 2HB LEU 50 -0.887 10.889 1.287 438 2HB LEU 50 1HB LEU 50 -0.633 9.709 0.026 439 HG LEU 50 HG LEU 50 1.475 10.616 -0.484 440 1HD1 LEU 50 3HD1 LEU 50 1.006 12.609 1.701 441 2HD1 LEU 50 2HD1 LEU 50 2.542 12.352 0.865 442 3HD1 LEU 50 1HD1 LEU 50 1.138 12.949 -0.019 443 1HD2 LEU 50 1HD2 LEU 50 1.320 8.935 1.239 444 2HD2 LEU 50 3HD2 LEU 50 2.675 10.024 1.533 445 3HD2 LEU 50 2HD2 LEU 50 1.185 10.200 2.461 446 MD1 LEU 50 QD1 LEU 50 1.562 12.636 0.849 447 MD2 LEU 50 QD2 LEU 50 1.727 9.720 1.744 448 QB LEU 50 QB LEU 50 -0.760 10.299 0.656 449 QD LEU 50 QQD LEU 50 1.644 11.178 1.297 450 H THR 51 H THR 51 -1.125 10.681 -2.964 451 HA THR 51 HA THR 51 -3.784 9.538 -2.722 452 HB THR 51 HB THR 51 -3.980 10.000 -5.184 453 HG1 THR 51 1HG THR 51 -2.021 10.278 -6.025 454 1HG2 THR 51 2HG2 THR 51 -4.712 11.500 -3.413 455 2HG2 THR 51 1HG2 THR 51 -3.155 12.341 -3.529 456 3HG2 THR 51 3HG2 THR 51 -4.286 12.381 -4.907 457 MG THR 51 QG2 THR 51 -4.051 12.074 -3.950 458 H GLY 52 H GLY 52 -3.987 7.440 -4.126 459 1HA GLY 52 1HA GLY 52 -2.292 5.725 -2.802 460 2HA GLY 52 2HA GLY 52 -1.567 5.965 -4.381 461 QA GLY 52 QA GLY 52 -1.930 5.845 -3.591 462 H ALA 53 H ALA 53 -1.948 3.625 -4.102 463 HA ALA 53 HA ALA 53 -4.484 2.489 -4.168 464 1HB ALA 53 3HB ALA 53 -4.654 3.411 -6.458 465 2HB ALA 53 1HB ALA 53 -4.574 1.646 -6.502 466 3HB ALA 53 2HB ALA 53 -3.149 2.609 -6.891 467 MB ALA 53 QB ALA 53 -4.126 2.555 -6.617 468 H LEU 54 H LEU 54 -4.280 0.082 -4.600 469 HA LEU 54 HA LEU 54 -1.581 -0.833 -4.744 470 1HB LEU 54 2HB LEU 54 -1.412 -1.921 -2.638 471 2HB LEU 54 1HB LEU 54 -1.895 -0.259 -2.393 472 HG LEU 54 HG LEU 54 -4.291 -1.218 -2.003 473 1HD1 LEU 54 1HD1 LEU 54 -3.869 -3.464 -2.864 474 2HD1 LEU 54 3HD1 LEU 54 -2.699 -3.733 -1.574 475 3HD1 LEU 54 2HD1 LEU 54 -4.392 -3.489 -1.179 476 1HD2 LEU 54 1HD2 LEU 54 -2.047 -1.777 -0.082 477 2HD2 LEU 54 3HD2 LEU 54 -2.876 -0.232 -0.283 478 3HD2 LEU 54 2HD2 LEU 54 -3.755 -1.633 0.331 479 MD1 LEU 54 QD1 LEU 54 -3.654 -3.562 -1.872 480 MD2 LEU 54 QD2 LEU 54 -2.893 -1.214 -0.011 481 QB LEU 54 QB LEU 54 -1.653 -1.090 -2.516 482 QD LEU 54 QQD LEU 54 -3.273 -2.388 -0.942 483 H PHE 55 H PHE 55 -1.392 -3.075 -4.887 484 HA PHE 55 HA PHE 55 -3.833 -4.471 -5.656 485 1HB PHE 55 2HB PHE 55 -1.207 -4.484 -7.183 486 2HB PHE 55 1HB PHE 55 -2.609 -5.487 -7.552 487 HD1 PHE 55 1HD PHE 55 -1.094 -2.206 -7.884 488 HD2 PHE 55 2HD PHE 55 -4.677 -4.438 -8.404 489 HE1 PHE 55 1HE PHE 55 -1.991 -0.426 -9.316 490 HE2 PHE 55 2HE PHE 55 -5.579 -2.666 -9.833 491 HZ PHE 55 HZ PHE 55 -4.240 -0.652 -10.294 492 QB PHE 55 QB PHE 55 -1.908 -4.986 -7.367 493 QD PHE 55 QD PHE 55 -2.885 -3.322 -8.144 494 QE PHE 55 QE PHE 55 -3.785 -1.546 -9.574 495 QR PHE 55 QR PHE 55 -3.516 -2.078 -9.146 496 H TYR 56 H TYR 56 -3.980 -5.963 -4.176 497 HA TYR 56 HA TYR 56 -1.580 -7.407 -3.345 498 1HB TYR 56 2HB TYR 56 -2.419 -5.997 -1.425 499 2HB TYR 56 1HB TYR 56 -4.011 -6.597 -1.744 500 HD1 TYR 56 1HD TYR 56 -1.049 -8.813 -1.639 501 HD2 TYR 56 2HD TYR 56 -4.502 -7.401 0.379 502 HE1 TYR 56 1HE TYR 56 -0.825 -10.622 -0.004 503 HE2 TYR 56 2HE TYR 56 -4.298 -9.215 2.025 504 HH TYR 56 HH TYR 56 -1.539 -11.108 2.351 505 QB TYR 56 QB TYR 56 -3.215 -6.297 -1.584 506 QD TYR 56 QD TYR 56 -2.776 -8.107 -0.630 507 QE TYR 56 QE TYR 56 -2.561 -9.919 1.010 508 QR TYR 56 QR TYR 56 -2.668 -9.013 0.190 509 H SER 57 H SER 57 -1.751 -9.627 -3.988 510 HA SER 57 HA SER 57 -4.233 -10.924 -3.707 511 1HB SER 57 2HB SER 57 -4.412 -9.793 -5.973 512 2HB SER 57 1HB SER 57 -2.947 -10.639 -6.459 513 HG SER 57 HG SER 57 -5.537 -11.576 -6.122 514 QB SER 57 QB SER 57 -3.679 -10.216 -6.216 515 H GLN 58 H GLN 58 -3.738 -13.030 -3.301 516 HA GLN 58 HA GLN 58 -2.644 -14.966 -3.072 517 1HB GLN 58 2HB GLN 58 -1.066 -13.843 -5.330 518 2HB GLN 58 1HB GLN 58 -0.847 -15.476 -4.751 519 1HG GLN 58 2HG GLN 58 -3.333 -14.237 -5.952 520 2HG GLN 58 1HG GLN 58 -2.322 -15.489 -6.673 521 1HE2 GLN 58 1HE2 GLN 58 -2.562 -17.600 -5.964 522 2HE2 GLN 58 2HE2 GLN 58 -3.866 -18.125 -4.978 523 QB GLN 58 QB GLN 58 -0.957 -14.659 -5.041 524 QG GLN 58 QG GLN 58 -2.827 -14.863 -6.312 525 QE GLN 58 QE2 GLN 58 -3.214 -17.862 -5.471 526 H GLY 59 H GLY 59 -1.294 -12.266 -1.983 527 1HA GLY 59 1HA GLY 59 0.911 -13.825 -0.816 528 2HA GLY 59 2HA GLY 59 0.012 -12.617 0.082 529 QA GLY 59 QA GLY 59 0.462 -13.221 -0.367 530 H VAL 60 H VAL 60 0.661 -11.679 -3.130 531 HA VAL 60 HA VAL 60 3.005 -10.267 -2.165 532 HB VAL 60 HB VAL 60 3.518 -11.504 -4.158 533 1HG1 VAL 60 2HG1 VAL 60 1.296 -11.710 -5.137 534 2HG1 VAL 60 1HG1 VAL 60 1.288 -9.989 -5.519 535 3HG1 VAL 60 3HG1 VAL 60 2.425 -11.063 -6.330 536 1HG2 VAL 60 2HG2 VAL 60 3.336 -8.555 -4.784 537 2HG2 VAL 60 1HG2 VAL 60 4.663 -9.382 -3.977 538 3HG2 VAL 60 3HG2 VAL 60 4.323 -9.716 -5.677 539 MG1 VAL 60 QG1 VAL 60 1.670 -10.921 -5.662 540 MG2 VAL 60 QG2 VAL 60 4.107 -9.218 -4.813 541 QG VAL 60 QQG VAL 60 2.888 -10.069 -5.238 542 H PHE 61 H PHE 61 3.075 -8.236 -1.883 543 HA PHE 61 HA PHE 61 0.665 -6.622 -2.269 544 1HB PHE 61 2HB PHE 61 2.910 -6.713 -0.426 545 2HB PHE 61 1HB PHE 61 2.452 -5.097 -0.943 546 HD1 PHE 61 1HD PHE 61 2.194 -7.336 1.555 547 HD2 PHE 61 2HD PHE 61 -0.277 -4.893 -0.882 548 HE1 PHE 61 1HE PHE 61 0.552 -7.241 3.351 549 HE2 PHE 61 2HE PHE 61 -1.951 -4.794 0.917 550 HZ PHE 61 HZ PHE 61 -1.504 -5.924 3.028 551 QB PHE 61 QB PHE 61 2.681 -5.905 -0.684 552 QD PHE 61 QD PHE 61 0.958 -6.115 0.336 553 QE PHE 61 QE PHE 61 -0.699 -6.017 2.134 554 QR PHE 61 QR PHE 61 -0.197 -6.038 1.594 555 H PHE 62 H PHE 62 0.734 -5.367 -4.128 556 HA PHE 62 HA PHE 62 3.238 -3.914 -4.406 557 1HB PHE 62 2HB PHE 62 2.665 -5.116 -6.510 558 2HB PHE 62 1HB PHE 62 1.100 -4.300 -6.538 559 HD1 PHE 62 1HD PHE 62 4.756 -3.635 -6.566 560 HD2 PHE 62 2HD PHE 62 0.881 -2.239 -7.612 561 HE1 PHE 62 1HE PHE 62 5.768 -1.752 -7.785 562 HE2 PHE 62 2HE PHE 62 1.879 -0.357 -8.837 563 HZ PHE 62 HZ PHE 62 4.327 -0.107 -8.919 564 QB PHE 62 QB PHE 62 1.883 -4.708 -6.524 565 QD PHE 62 QD PHE 62 2.819 -2.937 -7.089 566 QE PHE 62 QE PHE 62 3.823 -1.054 -8.311 567 QR PHE 62 QR PHE 62 3.522 -1.618 -7.944 568 H GLN 63 H GLN 63 3.083 -1.948 -3.609 569 HA GLN 63 HA GLN 63 0.439 -0.627 -3.473 570 1HB GLN 63 2HB GLN 63 1.093 -1.988 -1.379 571 2HB GLN 63 1HB GLN 63 2.370 -0.822 -1.161 572 1HG GLN 63 2HG GLN 63 -0.607 -0.241 -1.057 573 2HG GLN 63 1HG GLN 63 0.464 -0.485 0.293 574 1HE2 GLN 63 1HE2 GLN 63 2.618 1.195 -0.778 575 2HE2 GLN 63 2HE2 GLN 63 2.008 2.815 -0.678 576 QB GLN 63 QB GLN 63 1.731 -1.405 -1.270 577 QG GLN 63 QG GLN 63 -0.071 -0.363 -0.382 578 QE GLN 63 QE2 GLN 63 2.313 2.005 -0.728 579 H TRP 64 H TRP 64 0.732 1.532 -4.047 580 HA TRP 64 HA TRP 64 3.297 2.543 -3.375 581 1HB TRP 64 2HB TRP 64 3.894 3.387 -5.477 582 2HB TRP 64 1HB TRP 64 3.317 1.737 -5.799 583 HD1 TRP 64 HD TRP 64 3.404 5.003 -7.144 584 HE1 TRP 64 1HE TRP 64 1.597 5.437 -8.833 585 HE3 TRP 64 3HE TRP 64 0.342 1.096 -6.004 586 HZ2 TRP 64 2HZ TRP 64 -0.871 4.287 -9.623 587 HZ3 TRP 64 3HZ TRP 64 -1.759 0.872 -7.255 588 HH2 TRP 64 HH TRP 64 -2.331 2.409 -9.045 589 QB TRP 64 QB TRP 64 3.605 2.562 -5.638 590 H LEU 65 H LEU 65 3.291 4.994 -3.698 591 HA LEU 65 HA LEU 65 0.644 6.145 -3.410 592 1HB LEU 65 2HB LEU 65 1.316 7.359 -1.377 593 2HB LEU 65 1HB LEU 65 1.172 5.639 -1.133 594 HG LEU 65 HG LEU 65 3.793 6.939 -1.655 595 1HD1 LEU 65 3HD1 LEU 65 2.338 6.531 0.954 596 2HD1 LEU 65 2HD1 LEU 65 4.064 6.921 0.860 597 3HD1 LEU 65 1HD1 LEU 65 2.861 8.064 0.261 598 1HD2 LEU 65 2HD2 LEU 65 3.763 4.493 -1.798 599 2HD2 LEU 65 1HD2 LEU 65 4.702 5.013 -0.395 600 3HD2 LEU 65 3HD2 LEU 65 3.061 4.406 -0.182 601 MD1 LEU 65 QD1 LEU 65 3.088 7.172 0.691 602 MD2 LEU 65 QD2 LEU 65 3.842 4.638 -0.791 603 QB LEU 65 QB LEU 65 1.244 6.499 -1.255 604 QD LEU 65 QQD LEU 65 3.465 5.905 -0.050 605 H GLU 66 H GLU 66 0.526 8.307 -3.795 606 HA GLU 66 HA GLU 66 2.821 9.563 -5.149 607 1HB GLU 66 2HB GLU 66 -0.092 10.355 -5.230 608 2HB GLU 66 1HB GLU 66 1.206 10.888 -6.266 609 1HG GLU 66 2HG GLU 66 1.222 8.773 -7.415 610 2HG GLU 66 1HG GLU 66 -0.001 8.140 -6.303 611 QB GLU 66 QB GLU 66 0.557 10.621 -5.748 612 QG GLU 66 QG GLU 66 0.610 8.457 -6.859 613 H GLY 67 H GLY 67 3.670 11.254 -3.845 614 1HA GLY 67 1HA GLY 67 2.719 12.035 -1.409 615 2HA GLY 67 2HA GLY 67 1.846 13.035 -2.561 616 QA GLY 67 QA GLY 67 2.282 12.535 -1.985 617 H HIS 68 H HIS 68 3.257 14.701 -1.143 618 HA HIS 68 HA HIS 68 5.586 15.461 -2.614 619 1HB HIS 68 2HB HIS 68 4.433 17.252 -1.462 620 2HB HIS 68 1HB HIS 68 4.486 16.421 0.061 621 HD1 HIS 68 1HD HIS 68 6.534 16.704 1.531 622 HD2 HIS 68 2HD HIS 68 6.621 18.406 -2.152 623 HE1 HIS 68 1HE HIS 68 8.639 17.980 1.603 624 HE2 HIS 68 2HE HIS 68 8.498 19.407 -0.517 625 QB HIS 68 QB HIS 68 4.459 16.836 -0.701 626 HA PRO 69 HA PRO 69 8.702 12.468 -1.517 627 1HB PRO 69 2HB PRO 69 10.406 14.610 -0.544 628 2HB PRO 69 1HB PRO 69 10.601 13.591 -1.967 629 1HG PRO 69 2HG PRO 69 9.364 16.298 -1.810 630 2HG PRO 69 1HG PRO 69 9.960 15.450 -3.222 631 1HD PRO 69 2HD PRO 69 7.427 15.867 -2.829 632 2HD PRO 69 1HD PRO 69 7.964 14.321 -3.522 633 QB PRO 69 QB PRO 69 10.504 14.101 -1.255 634 QG PRO 69 QG PRO 69 9.662 15.874 -2.516 635 QD PRO 69 QD PRO 69 7.695 15.094 -3.176 636 H ALA 70 H ALA 70 8.617 14.996 0.947 637 HA ALA 70 HA ALA 70 9.575 13.103 2.860 638 1HB ALA 70 1HB ALA 70 10.224 15.449 2.963 639 2HB ALA 70 2HB ALA 70 9.474 14.822 4.457 640 3HB ALA 70 3HB ALA 70 8.534 15.835 3.329 641 MB ALA 70 QB ALA 70 9.411 15.369 3.583 642 H ALA 71 H ALA 71 6.476 14.132 2.018 643 HA ALA 71 HA ALA 71 5.187 13.264 4.363 644 1HB ALA 71 3HB ALA 71 4.367 13.378 1.541 645 2HB ALA 71 2HB ALA 71 3.224 13.121 2.865 646 3HB ALA 71 1HB ALA 71 4.104 14.677 2.713 647 MB ALA 71 QB ALA 71 3.899 13.725 2.373 648 H VAL 72 H VAL 72 5.999 11.982 1.264 649 HA VAL 72 HA VAL 72 4.862 9.394 1.371 650 HB VAL 72 HB VAL 72 7.495 9.831 0.028 651 1HG1 VAL 72 3HG1 VAL 72 6.328 7.757 -0.188 652 2HG1 VAL 72 2HG1 VAL 72 4.944 8.676 -0.822 653 3HG1 VAL 72 1HG1 VAL 72 6.470 8.624 -1.749 654 1HG2 VAL 72 2HG2 VAL 72 4.970 11.092 -0.935 655 2HG2 VAL 72 1HG2 VAL 72 6.474 11.894 -0.412 656 3HG2 VAL 72 3HG2 VAL 72 6.465 10.908 -1.878 657 MG1 VAL 72 QG1 VAL 72 5.914 8.352 -0.920 658 MG2 VAL 72 QG2 VAL 72 5.969 11.298 -1.075 659 QG VAL 72 QQG VAL 72 5.942 9.825 -0.997 660 H ALA 73 H ALA 73 8.030 10.675 2.173 661 HA ALA 73 HA ALA 73 9.044 8.232 3.096 662 1HB ALA 73 3HB ALA 73 9.950 10.987 3.754 663 2HB ALA 73 2HB ALA 73 10.769 9.396 4.063 664 3HB ALA 73 1HB ALA 73 10.475 9.938 2.398 665 MB ALA 73 QB ALA 73 10.398 10.107 3.405 666 H GLU 74 H GLU 74 7.523 10.909 4.823 667 HA GLU 74 HA GLU 74 7.794 9.961 7.469 668 1HB GLU 74 2HB GLU 74 6.931 12.219 6.915 669 2HB GLU 74 1HB GLU 74 5.569 11.517 6.077 670 1HG GLU 74 2HG GLU 74 5.902 11.025 9.004 671 2HG GLU 74 1HG GLU 74 5.317 12.591 8.451 672 QB GLU 74 QB GLU 74 6.250 11.868 6.496 673 QG GLU 74 QG GLU 74 5.610 11.808 8.728 674 H VAL 75 H VAL 75 5.364 9.376 5.073 675 HA VAL 75 HA VAL 75 4.000 7.378 6.409 676 HB VAL 75 HB VAL 75 4.288 8.109 3.500 677 1HG1 VAL 75 1HG1 VAL 75 2.543 5.904 4.598 678 2HG1 VAL 75 3HG1 VAL 75 2.538 6.586 2.957 679 3HG1 VAL 75 2HG1 VAL 75 3.963 5.725 3.545 680 1HG2 VAL 75 3HG2 VAL 75 2.030 8.249 5.482 681 2HG2 VAL 75 2HG2 VAL 75 3.006 9.596 4.897 682 3HG2 VAL 75 1HG2 VAL 75 1.935 8.740 3.792 683 MG1 VAL 75 QG1 VAL 75 3.015 6.072 3.700 684 MG2 VAL 75 QG2 VAL 75 2.324 8.862 4.724 685 QG VAL 75 QQG VAL 75 2.669 7.467 4.212 686 H MET 76 H MET 76 6.715 7.037 3.965 687 HA MET 76 HA MET 76 7.002 4.348 4.023 688 1HB MET 76 2HB MET 76 9.131 6.441 3.992 689 2HB MET 76 1HB MET 76 9.450 4.787 3.609 690 1HG MET 76 2HG MET 76 7.425 6.339 2.113 691 2HG MET 76 1HG MET 76 9.124 6.440 1.649 692 1HE MET 76 3HE MET 76 5.956 4.461 1.965 693 2HE MET 76 2HE MET 76 6.195 2.955 1.045 694 3HE MET 76 1HE MET 76 6.919 3.155 2.656 695 QB MET 76 QB MET 76 9.290 5.614 3.800 696 QG MET 76 QG MET 76 8.274 6.389 1.881 697 ME MET 76 QE MET 76 6.357 3.524 1.889 698 H SER 77 H SER 77 8.543 6.647 6.206 699 HA SER 77 HA SER 77 9.912 4.810 7.769 700 1HB SER 77 2HB SER 77 10.147 7.308 7.806 701 2HB SER 77 1HB SER 77 8.643 7.380 8.721 702 HG SER 77 HG SER 77 10.981 7.159 9.631 703 QB SER 77 QB SER 77 9.395 7.344 8.264 704 H HIS 78 H HIS 78 6.603 6.026 8.164 705 HA HIS 78 HA HIS 78 6.131 4.490 10.482 706 1HB HIS 78 2HB HIS 78 4.230 5.884 8.618 707 2HB HIS 78 1HB HIS 78 3.649 4.936 9.985 708 HD1 HIS 78 1HD HIS 78 4.243 8.383 9.254 709 HD2 HIS 78 2HD HIS 78 5.348 5.885 12.417 710 HE1 HIS 78 1HE HIS 78 4.707 9.853 11.137 711 HE2 HIS 78 2HE HIS 78 5.596 8.382 12.952 712 QB HIS 78 QB HIS 78 3.939 5.410 9.302 713 H ILE 79 H ILE 79 5.892 3.628 7.142 714 HA ILE 79 HA ILE 79 4.437 1.172 7.784 715 HB ILE 79 HB ILE 79 5.651 1.665 5.070 716 1HG1 ILE 79 2HG1 ILE 79 3.015 2.786 6.065 717 2HG1 ILE 79 1HG1 ILE 79 4.475 3.651 5.570 718 1HG2 ILE 79 2HG2 ILE 79 4.668 -0.497 5.635 719 2HG2 ILE 79 1HG2 ILE 79 3.145 0.291 6.024 720 3HG2 ILE 79 3HG2 ILE 79 3.745 0.322 4.365 721 1HD1 ILE 79 2HD1 ILE 79 2.852 1.917 3.731 722 2HD1 ILE 79 1HD1 ILE 79 2.726 3.673 3.822 723 3HD1 ILE 79 3HD1 ILE 79 4.235 2.919 3.297 724 MG ILE 79 QG2 ILE 79 3.853 0.039 5.341 725 MD ILE 79 QD1 ILE 79 3.271 2.836 3.617 726 QG ILE 79 QG1 ILE 79 3.745 3.218 5.818 727 H GLN 80 H GLN 80 7.723 2.197 6.934 728 HA GLN 80 HA GLN 80 8.636 -0.350 6.195 729 1HB GLN 80 2HB GLN 80 10.241 2.106 6.871 730 2HB GLN 80 1HB GLN 80 10.946 0.608 6.277 731 1HG GLN 80 2HG GLN 80 9.086 2.483 4.801 732 2HG GLN 80 1HG GLN 80 10.708 1.997 4.337 733 1HE2 GLN 80 1HE2 GLN 80 7.440 1.288 4.403 734 2HE2 GLN 80 2HE2 GLN 80 7.516 -0.104 3.363 735 QB GLN 80 QB GLN 80 10.593 1.357 6.574 736 QG GLN 80 QG GLN 80 9.897 2.240 4.569 737 QE GLN 80 QE2 GLN 80 7.478 0.592 3.883 738 H ARG 81 H ARG 81 8.231 0.898 9.299 739 HA ARG 81 HA ARG 81 10.042 -0.795 10.617 740 1HB ARG 81 2HB ARG 81 7.517 0.576 11.398 741 2HB ARG 81 1HB ARG 81 8.025 -0.742 12.423 742 1HG ARG 81 2HG ARG 81 8.735 1.428 13.279 743 2HG ARG 81 1HG ARG 81 10.094 0.368 12.932 744 1HD ARG 81 2HD ARG 81 9.108 2.378 10.996 745 2HD ARG 81 1HD ARG 81 10.265 2.854 12.257 746 HE ARG 81 HE ARG 81 11.299 0.627 10.975 747 1HH1 ARG 81 1HH1 ARG 81 10.600 3.975 10.076 748 2HH1 ARG 81 2HH1 ARG 81 11.722 4.001 8.790 749 1HH2 ARG 81 1HH2 ARG 81 12.799 0.664 9.186 750 2HH2 ARG 81 2HH2 ARG 81 12.989 2.084 8.278 751 QB ARG 81 QB ARG 81 7.771 -0.083 11.911 752 QG ARG 81 QG ARG 81 9.415 0.898 13.105 753 QD ARG 81 QD ARG 81 9.686 2.616 11.626 754 QH1 ARG 81 QH1 ARG 81 11.161 3.988 9.433 755 QH2 ARG 81 QH2 ARG 81 12.894 1.374 8.732 756 H ASP 82 H ASP 82 7.090 -1.374 9.035 757 HA ASP 82 HA ASP 82 5.810 -3.025 8.620 758 1HB ASP 82 2HB ASP 82 6.956 -3.819 7.084 759 2HB ASP 82 1HB ASP 82 8.448 -4.163 7.915 760 QB ASP 82 QB ASP 82 7.702 -3.991 7.499 761 H ARG 83 H ARG 83 4.710 -4.821 8.855 762 HA ARG 83 HA ARG 83 4.453 -6.205 11.233 763 1HB ARG 83 2HB ARG 83 2.596 -4.658 12.252 764 2HB ARG 83 1HB ARG 83 4.290 -4.303 12.575 765 1HG ARG 83 2HG ARG 83 4.221 -2.726 10.626 766 2HG ARG 83 1HG ARG 83 2.490 -2.961 10.577 767 1HD ARG 83 2HD ARG 83 2.212 -2.074 12.781 768 2HD ARG 83 1HD ARG 83 3.962 -2.004 13.026 769 HE ARG 83 HE ARG 83 3.572 -0.492 10.830 770 1HH1 ARG 83 1HH1 ARG 83 2.184 -0.396 14.087 771 2HH1 ARG 83 2HH1 ARG 83 1.877 1.276 14.027 772 1HH2 ARG 83 1HH2 ARG 83 3.250 1.782 10.798 773 2HH2 ARG 83 2HH2 ARG 83 2.483 2.522 12.109 774 QB ARG 83 QB ARG 83 3.443 -4.481 12.414 775 QG ARG 83 QG ARG 83 3.355 -2.844 10.601 776 QD ARG 83 QD ARG 83 3.087 -2.039 12.903 777 QH1 ARG 83 QH1 ARG 83 2.031 0.440 14.057 778 QH2 ARG 83 QH2 ARG 83 2.867 2.152 11.454 779 H ARG 84 H ARG 84 2.556 -4.225 8.951 780 HA ARG 84 HA ARG 84 0.485 -6.286 8.864 781 1HB ARG 84 2HB ARG 84 0.582 -3.493 7.720 782 2HB ARG 84 1HB ARG 84 -0.634 -4.674 7.283 783 1HG ARG 84 2HG ARG 84 -1.569 -3.110 8.862 784 2HG ARG 84 1HG ARG 84 -1.413 -4.672 9.643 785 1HD ARG 84 2HD ARG 84 0.459 -3.928 10.893 786 2HD ARG 84 1HD ARG 84 0.557 -2.440 9.947 787 HE ARG 84 HE ARG 84 -1.665 -1.873 10.913 788 1HH1 ARG 84 1HH1 ARG 84 0.208 -4.280 12.689 789 2HH1 ARG 84 2HH1 ARG 84 -0.216 -3.682 14.218 790 1HH2 ARG 84 1HH2 ARG 84 -2.316 -1.132 12.903 791 2HH2 ARG 84 2HH2 ARG 84 -1.754 -1.804 14.380 792 QB ARG 84 QB ARG 84 -0.026 -4.084 7.501 793 QG ARG 84 QG ARG 84 -1.491 -3.891 9.252 794 QD ARG 84 QD ARG 84 0.508 -3.184 10.420 795 QH1 ARG 84 QH1 ARG 84 -0.004 -3.981 13.453 796 QH2 ARG 84 QH2 ARG 84 -2.035 -1.468 13.641 797 H HIS 85 H HIS 85 3.268 -6.653 7.483 798 HA HIS 85 HA HIS 85 2.325 -7.825 5.204 799 1HB HIS 85 2HB HIS 85 3.592 -6.461 3.457 800 2HB HIS 85 1HB HIS 85 2.144 -5.736 4.089 801 HD1 HIS 85 1HD HIS 85 3.036 -3.468 3.175 802 HD2 HIS 85 2HD HIS 85 5.425 -5.016 6.221 803 HE1 HIS 85 1HE HIS 85 4.563 -1.656 3.967 804 HE2 HIS 85 2HE HIS 85 5.544 -2.584 6.052 805 QB HIS 85 QB HIS 85 2.868 -6.098 3.773 806 H SER 86 H SER 86 4.738 -7.804 3.716 807 HA SER 86 HA SER 86 6.557 -8.775 5.678 808 1HB SER 86 2HB SER 86 5.241 -9.911 3.576 809 2HB SER 86 1HB SER 86 6.795 -10.760 3.927 810 HG SER 86 HG SER 86 5.490 -10.378 6.171 811 QB SER 86 QB SER 86 6.018 -10.336 3.752 812 H ASN 87 H ASN 87 8.471 -7.934 5.318 813 HA ASN 87 HA ASN 87 10.400 -7.237 4.479 814 1HB ASN 87 2HB ASN 87 9.516 -8.606 1.962 815 2HB ASN 87 1HB ASN 87 11.016 -7.693 2.009 816 1HD2 ASN 87 1HD2 ASN 87 9.368 -10.579 3.034 817 2HD2 ASN 87 2HD2 ASN 87 10.749 -11.369 3.677 818 QB ASN 87 QB ASN 87 10.266 -8.150 1.985 819 QD ASN 87 QD2 ASN 87 10.059 -10.974 3.356 820 H VAL 88 H VAL 88 7.869 -6.171 2.810 821 HA VAL 88 HA VAL 88 7.709 -4.568 1.220 822 HB VAL 88 HB VAL 88 6.586 -3.908 3.132 823 1HG1 VAL 88 1HG1 VAL 88 8.210 -3.845 4.749 824 2HG1 VAL 88 3HG1 VAL 88 8.962 -2.369 4.015 825 3HG1 VAL 88 2HG1 VAL 88 7.293 -2.292 4.617 826 1HG2 VAL 88 3HG2 VAL 88 6.586 -2.419 1.199 827 2HG2 VAL 88 2HG2 VAL 88 6.302 -1.556 2.705 828 3HG2 VAL 88 1HG2 VAL 88 7.894 -1.501 1.925 829 MG1 VAL 88 QG1 VAL 88 8.155 -2.835 4.460 830 MG2 VAL 88 QG2 VAL 88 6.927 -1.825 1.943 831 QG VAL 88 QQG VAL 88 7.541 -2.330 3.202 832 H GLU 89 H GLU 89 9.102 -4.609 -0.295 833 HA GLU 89 HA GLU 89 11.489 -3.007 -0.004 834 1HB GLU 89 2HB GLU 89 10.553 -5.086 -1.873 835 2HB GLU 89 1HB GLU 89 11.999 -4.174 -2.233 836 1HG GLU 89 2HG GLU 89 13.078 -4.964 -0.309 837 2HG GLU 89 1HG GLU 89 11.570 -5.641 0.295 838 QB GLU 89 QB GLU 89 11.276 -4.630 -2.053 839 QG GLU 89 QG GLU 89 12.324 -5.303 -0.007 840 H ILE 90 H ILE 90 10.352 -1.093 -0.105 841 HA ILE 90 HA ILE 90 8.925 0.107 -2.166 842 HB ILE 90 HB ILE 90 11.416 1.461 -1.198 843 1HG1 ILE 90 2HG1 ILE 90 10.614 0.435 0.826 844 2HG1 ILE 90 1HG1 ILE 90 10.316 2.158 0.882 845 1HG2 ILE 90 1HG2 ILE 90 8.596 2.420 -1.636 846 2HG2 ILE 90 3HG2 ILE 90 9.866 3.417 -0.986 847 3HG2 ILE 90 2HG2 ILE 90 10.002 2.834 -2.643 848 1HD1 ILE 90 1HD1 ILE 90 8.011 1.778 0.255 849 2HD1 ILE 90 3HD1 ILE 90 8.324 0.042 0.223 850 3HD1 ILE 90 2HD1 ILE 90 8.448 0.935 1.751 851 MG ILE 90 QG2 ILE 90 9.488 2.890 -1.755 852 MD ILE 90 QD1 ILE 90 8.261 0.918 0.743 853 QG ILE 90 QG1 ILE 90 10.465 1.297 0.854 854 H LEU 91 H LEU 91 12.262 0.363 -2.094 855 HA LEU 91 HA LEU 91 13.944 0.255 -3.582 856 1HB LEU 91 2HB LEU 91 12.139 -1.695 -4.982 857 2HB LEU 91 1HB LEU 91 13.815 -1.415 -5.411 858 HG LEU 91 HG LEU 91 12.854 -2.555 -2.760 859 1HD1 LEU 91 2HD1 LEU 91 12.603 -4.079 -4.644 860 2HD1 LEU 91 1HD1 LEU 91 14.297 -3.811 -5.069 861 3HD1 LEU 91 3HD1 LEU 91 13.890 -4.587 -3.540 862 1HD2 LEU 91 2HD2 LEU 91 15.629 -2.069 -3.839 863 2HD2 LEU 91 1HD2 LEU 91 14.875 -1.233 -2.484 864 3HD2 LEU 91 3HD2 LEU 91 15.237 -2.957 -2.367 865 MD1 LEU 91 QD1 LEU 91 13.597 -4.159 -4.418 866 MD2 LEU 91 QD2 LEU 91 15.247 -2.086 -2.897 867 QB LEU 91 QB LEU 91 12.977 -1.555 -5.196 868 QD LEU 91 QQD LEU 91 14.422 -3.123 -3.657 869 H ALA 92 H ALA 92 10.898 1.172 -4.763 870 HA ALA 92 HA ALA 92 12.262 2.667 -6.914 871 1HB ALA 92 3HB ALA 92 10.850 0.978 -7.901 872 2HB ALA 92 1HB ALA 92 10.133 2.573 -8.154 873 3HB ALA 92 2HB ALA 92 9.493 1.507 -6.902 874 MB ALA 92 QB ALA 92 10.159 1.686 -7.652 875 H GLU 93 H GLU 93 12.375 4.699 -6.261 876 HA GLU 93 HA GLU 93 9.897 5.921 -5.342 877 1HB GLU 93 2HB GLU 93 12.668 6.670 -4.287 878 2HB GLU 93 1HB GLU 93 11.089 7.271 -3.781 879 1HG GLU 93 2HG GLU 93 10.461 5.315 -2.844 880 2HG GLU 93 1HG GLU 93 11.909 4.459 -3.415 881 QB GLU 93 QB GLU 93 11.878 6.971 -4.034 882 QG GLU 93 QG GLU 93 11.185 4.887 -3.130 883 H GLU 94 H GLU 94 9.354 7.163 -6.942 884 HA GLU 94 HA GLU 94 11.481 8.449 -8.487 885 1HB GLU 94 2HB GLU 94 9.913 8.318 -10.437 886 2HB GLU 94 1HB GLU 94 10.514 6.767 -9.878 887 1HG GLU 94 2HG GLU 94 8.435 6.301 -8.781 888 2HG GLU 94 1HG GLU 94 7.808 7.905 -9.192 889 QB GLU 94 QB GLU 94 10.213 7.543 -10.158 890 QG GLU 94 QG GLU 94 8.121 7.103 -8.987 891 H SER 95 H SER 95 11.136 10.551 -9.130 892 HA SER 95 HA SER 95 9.284 11.959 -7.483 893 1HB SER 95 2HB SER 95 11.510 12.857 -7.875 894 2HB SER 95 1HB SER 95 11.181 12.987 -9.604 895 HG SER 95 HG SER 95 9.325 14.204 -7.936 896 QB SER 95 QB SER 95 11.346 12.922 -8.740 897 H ILE 96 H ILE 96 7.333 12.425 -8.030 898 HA ILE 96 HA ILE 96 6.535 12.180 -10.871 899 HB ILE 96 HB ILE 96 4.353 11.685 -10.117 900 1HG1 ILE 96 2HG1 ILE 96 5.543 10.957 -7.457 901 2HG1 ILE 96 1HG1 ILE 96 4.843 12.537 -7.753 902 1HG2 ILE 96 2HG2 ILE 96 5.832 9.955 -10.956 903 2HG2 ILE 96 1HG2 ILE 96 6.514 9.717 -9.347 904 3HG2 ILE 96 3HG2 ILE 96 4.830 9.275 -9.673 905 1HD1 ILE 96 1HD1 ILE 96 3.291 10.021 -8.195 906 2HD1 ILE 96 3HD1 ILE 96 3.451 10.816 -6.631 907 3HD1 ILE 96 2HD1 ILE 96 2.739 11.708 -7.946 908 MG ILE 96 QG2 ILE 96 5.725 9.649 -9.992 909 MD ILE 96 QD1 ILE 96 3.160 10.848 -7.591 910 QG ILE 96 QG1 ILE 96 5.193 11.747 -7.605 911 H ALA 97 H ALA 97 4.431 13.190 -11.356 912 HA ALA 97 HA ALA 97 4.347 15.847 -10.174 913 1HB ALA 97 1HB ALA 97 4.669 15.809 -12.585 914 2HB ALA 97 2HB ALA 97 3.033 16.437 -12.124 915 3HB ALA 97 3HB ALA 97 3.221 14.777 -12.680 916 MB ALA 97 QB ALA 97 3.641 15.674 -12.463 917 H LYS 98 H LYS 98 3.198 13.134 -9.845 918 HA LYS 98 HA LYS 98 1.339 12.052 -9.016 919 1HB LYS 98 2HB LYS 98 2.124 13.847 -7.529 920 2HB LYS 98 1HB LYS 98 0.787 14.788 -8.137 921 1HG LYS 98 2HG LYS 98 -0.055 12.226 -7.291 922 2HG LYS 98 1HG LYS 98 0.992 13.017 -6.142 923 1HD LYS 98 2HD LYS 98 -0.805 14.942 -7.038 924 2HD LYS 98 1HD LYS 98 -1.718 13.543 -6.385 925 1HE LYS 98 2HE LYS 98 -0.180 13.538 -4.596 926 2HE LYS 98 1HE LYS 98 0.516 15.051 -5.213 927 1HZ LYS 98 2HZ LYS 98 -2.383 14.814 -4.451 928 2HZ LYS 98 1HZ LYS 98 -1.241 15.428 -3.384 929 3HZ LYS 98 3HZ LYS 98 -1.555 16.215 -4.832 930 QB LYS 98 QB LYS 98 1.456 14.317 -7.833 931 QD LYS 98 QD LYS 98 -1.261 14.242 -6.711 932 QG LYS 98 QG LYS 98 0.468 12.622 -6.717 933 QE LYS 98 QE LYS 98 0.168 14.294 -4.905 934 QZ LYS 98 QZ LYS 98 -1.726 15.485 -4.222 935 H ARG 99 H ARG 99 -1.134 12.885 -8.641 936 HA ARG 99 HA ARG 99 -3.186 13.562 -9.551 937 1HB ARG 99 2HB ARG 99 -1.516 14.434 -11.934 938 2HB ARG 99 1HB ARG 99 -3.231 14.795 -11.724 939 1HG ARG 99 2HG ARG 99 -2.803 16.412 -10.144 940 2HG ARG 99 1HG ARG 99 -1.280 15.666 -9.642 941 1HD ARG 99 2HD ARG 99 -0.785 17.693 -10.849 942 2HD ARG 99 1HD ARG 99 -0.301 16.308 -11.814 943 HE ARG 99 HE ARG 99 -2.839 17.698 -12.268 944 1HH1 ARG 99 1HH1 ARG 99 0.152 16.286 -13.585 945 2HH1 ARG 99 2HH1 ARG 99 -0.125 16.872 -15.164 946 1HH2 ARG 99 1HH2 ARG 99 -3.147 18.535 -14.427 947 2HH2 ARG 99 2HH2 ARG 99 -2.027 18.180 -15.641 948 QB ARG 99 QB ARG 99 -2.374 14.614 -11.829 949 QG ARG 99 QG ARG 99 -2.042 16.039 -9.893 950 QD ARG 99 QD ARG 99 -0.543 17.001 -11.331 951 QH1 ARG 99 QH1 ARG 99 0.013 16.579 -14.374 952 QH2 ARG 99 QH2 ARG 99 -2.587 18.358 -15.034 953 H ARG 100 H ARG 100 -1.807 11.018 -9.746 954 HA ARG 100 HA ARG 100 -2.762 9.980 -12.270 955 1HB ARG 100 2HB ARG 100 -1.199 8.680 -10.042 956 2HB ARG 100 1HB ARG 100 -1.517 7.974 -11.624 957 1HG ARG 100 2HG ARG 100 -0.120 9.471 -12.730 958 2HG ARG 100 1HG ARG 100 -0.169 10.629 -11.404 959 1HD ARG 100 2HD ARG 100 1.987 9.602 -11.465 960 2HD ARG 100 1HD ARG 100 1.124 9.052 -10.034 961 HE ARG 100 HE ARG 100 0.891 7.310 -12.297 962 1HH1 ARG 100 1HH1 ARG 100 2.697 8.088 -9.346 963 2HH1 ARG 100 2HH1 ARG 100 3.613 6.650 -9.354 964 1HH2 ARG 100 1HH2 ARG 100 2.105 5.275 -12.232 965 2HH2 ARG 100 2HH2 ARG 100 3.287 5.064 -11.021 966 QB ARG 100 QB ARG 100 -1.358 8.327 -10.833 967 QG ARG 100 QG ARG 100 -0.145 10.050 -12.067 968 QD ARG 100 QD ARG 100 1.555 9.327 -10.750 969 QH1 ARG 100 QH1 ARG 100 3.155 7.369 -9.350 970 QH2 ARG 100 QH2 ARG 100 2.696 5.169 -11.626 971 H PHE 101 H PHE 101 -3.219 9.272 -8.739 972 HA PHE 101 HA PHE 101 -5.699 8.016 -9.629 973 1HB PHE 101 2HB PHE 101 -3.876 7.140 -7.441 974 2HB PHE 101 1HB PHE 101 -5.587 6.723 -7.356 975 HD1 PHE 101 1HD PHE 101 -6.340 4.826 -8.406 976 HD2 PHE 101 2HD PHE 101 -2.686 6.572 -9.683 977 HE1 PHE 101 1HE PHE 101 -5.987 2.940 -9.942 978 HE2 PHE 101 2HE PHE 101 -2.320 4.698 -11.213 979 HZ PHE 101 HZ PHE 101 -3.963 2.873 -11.351 980 QB PHE 101 QB PHE 101 -4.732 6.932 -7.398 981 QD PHE 101 QD PHE 101 -4.513 5.699 -9.045 982 QE PHE 101 QE PHE 101 -4.153 3.819 -10.577 983 QR PHE 101 QR PHE 101 -4.259 4.382 -10.119 984 H ALA 102 H ALA 102 -4.630 10.449 -7.962 985 HA ALA 102 HA ALA 102 -5.564 12.195 -6.788 986 1HB ALA 102 1HB ALA 102 -7.113 12.198 -8.734 987 2HB ALA 102 2HB ALA 102 -7.817 12.872 -7.267 988 3HB ALA 102 3HB ALA 102 -8.243 11.238 -7.782 989 MB ALA 102 QB ALA 102 -7.724 12.103 -7.928 990 H GLY 103 H GLY 103 -6.588 9.152 -5.868 991 1HA GLY 103 1HA GLY 103 -8.019 9.214 -3.615 992 2HA GLY 103 2HA GLY 103 -6.560 10.069 -3.109 993 QA GLY 103 QA GLY 103 -7.289 9.641 -3.362 994 H TRP 104 H TRP 104 -6.310 8.112 -1.646 995 HA TRP 104 HA TRP 104 -4.804 6.106 -3.071 996 1HB TRP 104 2HB TRP 104 -3.742 6.845 -1.023 997 2HB TRP 104 1HB TRP 104 -5.223 6.638 -0.118 998 HD1 TRP 104 HD TRP 104 -2.111 4.721 -1.166 999 HE1 TRP 104 1HE TRP 104 -2.200 2.395 -0.134 1000 HE3 TRP 104 3HE TRP 104 -6.914 4.811 0.598 1001 HZ2 TRP 104 2HZ TRP 104 -4.163 0.800 1.288 1002 HZ3 TRP 104 3HZ TRP 104 -7.785 3.100 1.668 1003 HH2 TRP 104 HH TRP 104 -6.558 1.065 2.079 1004 QB TRP 104 QB TRP 104 -4.482 6.742 -0.571 1005 H HIS 105 H HIS 105 -5.365 3.958 -3.332 1006 HA HIS 105 HA HIS 105 -8.189 3.424 -2.744 1007 1HB HIS 105 2HB HIS 105 -6.477 2.845 -5.108 1008 2HB HIS 105 1HB HIS 105 -8.022 2.013 -4.860 1009 HD1 HIS 105 1HD HIS 105 -6.471 5.250 -5.880 1010 HD2 HIS 105 2HD HIS 105 -10.273 3.685 -5.285 1011 HE1 HIS 105 1HE HIS 105 -8.057 6.873 -6.972 1012 HE2 HIS 105 2HE HIS 105 -10.334 5.824 -6.697 1013 QB HIS 105 QB HIS 105 -7.250 2.429 -4.984 1014 H MET 106 H MET 106 -8.680 1.397 -2.063 1015 HA MET 106 HA MET 106 -6.400 -0.305 -1.396 1016 1HB MET 106 2HB MET 106 -7.839 0.338 0.527 1017 2HB MET 106 1HB MET 106 -9.233 -0.345 -0.293 1018 1HG MET 106 2HG MET 106 -8.242 -1.791 1.503 1019 2HG MET 106 1HG MET 106 -8.383 -2.561 -0.080 1020 1HE MET 106 3HE MET 106 -6.629 -4.449 0.728 1021 2HE MET 106 2HE MET 106 -4.985 -4.101 1.224 1022 3HE MET 106 1HE MET 106 -6.353 -3.689 2.302 1023 QB MET 106 QB MET 106 -8.536 -0.003 0.117 1024 QG MET 106 QG MET 106 -8.312 -2.176 0.712 1025 ME MET 106 QE MET 106 -5.989 -4.079 1.418 1026 H GLN 107 H GLN 107 -6.368 -2.389 -2.163 1027 HA GLN 107 HA GLN 107 -8.026 -2.808 -4.478 1028 1HB GLN 107 2HB GLN 107 -5.643 -3.544 -4.402 1029 2HB GLN 107 1HB GLN 107 -6.080 -4.774 -3.232 1030 1HG GLN 107 2HG GLN 107 -5.943 -5.790 -5.392 1031 2HG GLN 107 1HG GLN 107 -7.644 -5.725 -4.925 1032 1HE2 GLN 107 1HE2 GLN 107 -6.524 -5.942 -7.571 1033 2HE2 GLN 107 2HE2 GLN 107 -7.100 -4.565 -8.456 1034 QB GLN 107 QB GLN 107 -5.862 -4.159 -3.817 1035 QG GLN 107 QG GLN 107 -6.793 -5.758 -5.159 1036 QE GLN 107 QE2 GLN 107 -6.812 -5.253 -8.014 1037 H LEU 108 H LEU 108 -7.711 -4.191 -1.293 1038 HA LEU 108 HA LEU 108 -10.101 -5.775 -1.779 1039 1HB LEU 108 2HB LEU 108 -8.236 -5.837 0.611 1040 2HB LEU 108 1HB LEU 108 -9.648 -6.839 0.418 1041 HG LEU 108 HG LEU 108 -7.769 -8.195 -0.011 1042 1HD1 LEU 108 1HD1 LEU 108 -8.994 -7.446 -2.635 1043 2HD1 LEU 108 3HD1 LEU 108 -8.050 -8.897 -2.317 1044 3HD1 LEU 108 2HD1 LEU 108 -9.581 -8.643 -1.477 1045 1HD2 LEU 108 2HD2 LEU 108 -6.118 -6.430 -0.436 1046 2HD2 LEU 108 1HD2 LEU 108 -6.046 -7.705 -1.664 1047 3HD2 LEU 108 3HD2 LEU 108 -6.835 -6.173 -2.025 1048 MD1 LEU 108 QD1 LEU 108 -8.875 -8.329 -2.143 1049 MD2 LEU 108 QD2 LEU 108 -6.333 -6.769 -1.375 1050 QB LEU 108 QB LEU 108 -8.942 -6.338 0.515 1051 QD LEU 108 QQD LEU 108 -7.604 -7.549 -1.759 1052 H SER 109 H SER 109 -11.166 -3.613 -1.914 1053 HA SER 109 HA SER 109 -11.657 -2.231 0.508 1054 1HB SER 109 2HB SER 109 -13.332 -2.301 -2.002 1055 2HB SER 109 1HB SER 109 -13.241 -1.002 -0.804 1056 HG SER 109 HG SER 109 -11.537 -0.281 -1.715 1057 QB SER 109 QB SER 109 -13.286 -1.651 -1.403 1058 H CYS 110 H CYS 110 -13.453 -4.525 -1.465 1059 HA CYS 110 HA CYS 110 -15.161 -5.225 0.826 1060 1HB CYS 110 2HB CYS 110 -16.733 -5.983 -0.951 1061 2HB CYS 110 1HB CYS 110 -16.396 -4.255 -1.024 1062 HG CYS 110 HG CYS 110 -15.413 -6.716 -3.119 1063 QB CYS 110 QB CYS 110 -16.564 -5.119 -0.987 1064 H SER 111 H SER 111 -12.608 -6.129 -1.021 1065 HA SER 111 HA SER 111 -11.582 -7.917 -1.842 1066 1HB SER 111 2HB SER 111 -11.450 -9.960 -0.374 1067 2HB SER 111 1HB SER 111 -11.116 -8.456 0.465 1068 HG SER 111 HG SER 111 -13.599 -8.715 0.869 1069 QB SER 111 QB SER 111 -11.283 -9.208 0.045 1070 H GLU 112 H GLU 112 -11.872 -10.516 -2.298 1071 HA GLU 112 HA GLU 112 -14.422 -10.648 -3.767 1072 1HB GLU 112 2HB GLU 112 -11.773 -11.889 -4.515 1073 2HB GLU 112 1HB GLU 112 -13.260 -11.895 -5.454 1074 1HG GLU 112 2HG GLU 112 -13.161 -9.555 -5.807 1075 2HG GLU 112 1HG GLU 112 -11.832 -9.373 -4.675 1076 QB GLU 112 QB GLU 112 -12.516 -11.892 -4.985 1077 QG GLU 112 QG GLU 112 -12.496 -9.464 -5.241 1078 H ALA 113 H ALA 113 -13.660 -11.572 -1.043 1079 HA ALA 113 HA ALA 113 -13.388 -14.413 -1.151 1080 1HB ALA 113 1HB ALA 113 -14.179 -12.638 1.161 1081 2HB ALA 113 3HB ALA 113 -13.702 -14.330 1.278 1082 3HB ALA 113 2HB ALA 113 -12.530 -13.119 0.756 1083 MB ALA 113 QB ALA 113 -13.470 -13.362 1.065 1084 H ASP 114 H ASP 114 -15.900 -12.174 -0.744 1085 HA ASP 114 HA ASP 114 -17.980 -14.091 -0.262 1086 1HB ASP 114 2HB ASP 114 -18.292 -11.845 0.574 1087 2HB ASP 114 1HB ASP 114 -18.154 -11.178 -1.050 1088 QB ASP 114 QB ASP 114 -18.223 -11.512 -0.238 1089 H MET 115 H MET 115 -16.483 -12.791 -3.041 1090 HA MET 115 HA MET 115 -18.506 -13.652 -4.930 1091 1HB MET 115 2HB MET 115 -15.577 -13.009 -5.310 1092 2HB MET 115 1HB MET 115 -16.704 -13.335 -6.604 1093 1HG MET 115 2HG MET 115 -17.985 -11.362 -6.038 1094 2HG MET 115 1HG MET 115 -16.910 -11.038 -4.679 1095 1HE MET 115 3HE MET 115 -17.171 -11.332 -8.591 1096 2HE MET 115 2HE MET 115 -15.553 -10.856 -9.110 1097 3HE MET 115 1HE MET 115 -15.793 -12.376 -8.250 1098 QB MET 115 QB MET 115 -16.141 -13.172 -5.957 1099 QG MET 115 QG MET 115 -17.448 -11.200 -5.358 1100 ME MET 115 QE MET 115 -16.172 -11.521 -8.651 1101 H ARG 116 H ARG 116 -16.059 -14.982 -3.071 1102 HA ARG 116 HA ARG 116 -14.781 -16.682 -3.038 1103 1HB ARG 116 2HB ARG 116 -15.895 -18.985 -3.189 1104 2HB ARG 116 1HB ARG 116 -16.468 -17.850 -2.000 1105 1HG ARG 116 2HG ARG 116 -17.919 -18.120 -4.588 1106 2HG ARG 116 1HG ARG 116 -18.125 -19.342 -3.332 1107 1HD ARG 116 2HD ARG 116 -18.663 -17.482 -1.744 1108 2HD ARG 116 1HD ARG 116 -18.686 -16.383 -3.118 1109 HE ARG 116 HE ARG 116 -20.347 -18.561 -3.663 1110 1HH1 ARG 116 1HH1 ARG 116 -20.334 -15.614 -1.702 1111 2HH1 ARG 116 2HH1 ARG 116 -22.010 -15.610 -1.437 1112 1HH2 ARG 116 1HH2 ARG 116 -22.640 -18.561 -3.292 1113 2HH2 ARG 116 2HH2 ARG 116 -23.361 -17.320 -2.378 1114 QB ARG 116 QB ARG 116 -16.181 -18.417 -2.595 1115 QG ARG 116 QG ARG 116 -18.022 -18.731 -3.960 1116 QD ARG 116 QD ARG 116 -18.675 -16.932 -2.431 1117 QH1 ARG 116 QH1 ARG 116 -21.172 -15.612 -1.569 1118 QH2 ARG 116 QH2 ARG 116 -23.001 -17.941 -2.835 1119 H SER 117 H SER 117 -14.660 -15.406 -5.508 1120 HA SER 117 HA SER 117 -14.104 -17.340 -7.514 1121 1HB SER 117 2HB SER 117 -13.139 -14.489 -7.269 1122 2HB SER 117 1HB SER 117 -13.282 -15.447 -8.744 1123 HG SER 117 HG SER 117 -15.555 -15.616 -8.204 1124 QB SER 117 QB SER 117 -13.211 -14.968 -8.007 1125 H LEU 118 H LEU 118 -12.601 -16.404 -4.729 1126 HA LEU 118 HA LEU 118 -9.854 -16.909 -5.517 1127 1HB LEU 118 2HB LEU 118 -11.073 -16.569 -2.784 1128 2HB LEU 118 1HB LEU 118 -9.363 -16.571 -3.152 1129 HG LEU 118 HG LEU 118 -11.361 -14.477 -4.023 1130 1HD1 LEU 118 3HD1 LEU 118 -10.879 -14.394 -1.641 1131 2HD1 LEU 118 2HD1 LEU 118 -9.149 -14.382 -1.980 1132 3HD1 LEU 118 1HD1 LEU 118 -10.151 -13.021 -2.474 1133 1HD2 LEU 118 2HD2 LEU 118 -8.361 -14.599 -4.406 1134 2HD2 LEU 118 1HD2 LEU 118 -9.575 -14.752 -5.676 1135 3HD2 LEU 118 3HD2 LEU 118 -9.394 -13.229 -4.810 1136 MD1 LEU 118 QD1 LEU 118 -10.060 -13.932 -2.032 1137 MD2 LEU 118 QD2 LEU 118 -9.110 -14.193 -4.964 1138 QB LEU 118 QB LEU 118 -10.218 -16.570 -2.968 1139 QD LEU 118 QQD LEU 118 -9.585 -14.063 -3.498 1140 H GLY 119 H GLY 119 -12.509 -18.835 -4.869 1141 1HA GLY 119 1HA GLY 119 -10.843 -21.149 -4.334 1142 2HA GLY 119 2HA GLY 119 -12.578 -21.159 -4.653 1143 QA GLY 119 QA GLY 119 -11.711 -21.154 -4.493 1144 H LEU 120 H LEU 120 -13.731 -19.783 -2.852 1145 HA LEU 120 HA LEU 120 -12.591 -20.098 -0.180 1146 1HB LEU 120 2HB LEU 120 -13.913 -18.064 -0.865 1147 2HB LEU 120 1HB LEU 120 -15.287 -19.156 -1.020 1148 HG LEU 120 HG LEU 120 -15.146 -19.652 1.390 1149 1HD1 LEU 120 1HD1 LEU 120 -13.107 -17.443 1.432 1150 2HD1 LEU 120 3HD1 LEU 120 -13.859 -18.177 2.850 1151 3HD1 LEU 120 2HD1 LEU 120 -12.824 -19.146 1.804 1152 1HD2 LEU 120 3HD2 LEU 120 -16.711 -17.978 0.504 1153 2HD2 LEU 120 2HD2 LEU 120 -16.155 -17.552 2.126 1154 3HD2 LEU 120 1HD2 LEU 120 -15.486 -16.733 0.712 1155 MD1 LEU 120 QD1 LEU 120 -13.263 -18.255 2.029 1156 MD2 LEU 120 QD2 LEU 120 -16.117 -17.421 1.114 1157 QB LEU 120 QB LEU 120 -14.600 -18.610 -0.943 1158 QD LEU 120 QQD LEU 120 -14.690 -17.838 1.571 1159 H ALA 121 H ALA 121 -14.917 -21.577 -2.287 1160 HA ALA 121 HA ALA 121 -16.160 -23.015 -0.164 1161 1HB ALA 121 1HB ALA 121 -16.647 -23.197 -3.127 1162 2HB ALA 121 3HB ALA 121 -17.674 -23.887 -1.869 1163 3HB ALA 121 2HB ALA 121 -17.512 -22.134 -2.014 1164 MB ALA 121 QB ALA 121 -17.278 -23.073 -2.337 1165 H GLU 122 H GLU 122 -13.576 -23.572 -0.323 1166 HA GLU 122 HA GLU 122 -13.043 -26.032 -1.749 1167 1HB GLU 122 2HB GLU 122 -11.284 -24.268 -1.279 1168 2HB GLU 122 1HB GLU 122 -11.414 -24.680 0.422 1169 1HG GLU 122 2HG GLU 122 -9.484 -25.744 -0.590 1170 2HG GLU 122 1HG GLU 122 -10.663 -26.947 -0.064 1171 QB GLU 122 QB GLU 122 -11.349 -24.474 -0.429 1172 QG GLU 122 QG GLU 122 -10.074 -26.346 -0.327 1173 H SER 123 H SER 123 -13.079 -28.054 -0.786 1174 HA SER 123 HA SER 123 -14.198 -28.093 1.924 1175 1HB SER 123 2HB SER 123 -15.898 -28.439 0.116 1176 2HB SER 123 1HB SER 123 -15.018 -29.877 -0.373 1177 HG SER 123 HG SER 123 -16.681 -29.407 1.702 1178 QB SER 123 QB SER 123 -15.458 -29.158 -0.129 1179 H ARG 124 H ARG 124 -14.111 -30.245 2.887 1180 HA ARG 124 HA ARG 124 -11.465 -31.469 2.385 1181 1HB ARG 124 2HB ARG 124 -13.020 -31.595 4.971 1182 2HB ARG 124 1HB ARG 124 -11.308 -31.888 4.732 1183 1HG ARG 124 2HG ARG 124 -12.739 -29.266 4.592 1184 2HG ARG 124 1HG ARG 124 -11.641 -29.769 5.890 1185 1HD ARG 124 2HD ARG 124 -11.024 -29.142 3.005 1186 2HD ARG 124 1HD ARG 124 -10.548 -28.192 4.403 1187 HE ARG 124 HE ARG 124 -9.553 -30.909 4.376 1188 1HH1 ARG 124 1HH1 ARG 124 -8.815 -27.547 3.536 1189 2HH1 ARG 124 2HH1 ARG 124 -7.143 -27.781 3.433 1190 1HH2 ARG 124 1HH2 ARG 124 -7.280 -31.270 4.219 1191 2HH2 ARG 124 2HH2 ARG 124 -6.228 -29.985 3.849 1192 QB ARG 124 QB ARG 124 -12.164 -31.741 4.852 1193 QG ARG 124 QG ARG 124 -12.190 -29.517 5.241 1194 QD ARG 124 QD ARG 124 -10.786 -28.667 3.704 1195 QH1 ARG 124 QH1 ARG 124 -7.979 -27.664 3.484 1196 QH2 ARG 124 QH2 ARG 124 -6.754 -30.628 4.034 1197 H GLN 125 H GLN 125 -14.292 -31.866 1.455 1198 HA GLN 125 HA GLN 125 -15.549 -34.154 2.418 1199 1HB GLN 125 2HB GLN 125 -16.666 -34.315 0.223 1200 2HB GLN 125 1HB GLN 125 -16.674 -32.683 0.875 1201 1HG GLN 125 2HG GLN 125 -14.795 -32.105 -0.603 1202 2HG GLN 125 1HG GLN 125 -14.841 -33.725 -1.279 1203 1HE2 GLN 125 1HE2 GLN 125 -17.791 -33.840 -1.279 1204 2HE2 GLN 125 2HE2 GLN 125 -18.274 -32.779 -2.549 1205 QB GLN 125 QB GLN 125 -16.670 -33.499 0.549 1206 QG GLN 125 QG GLN 125 -14.818 -32.915 -0.941 1207 QE GLN 125 QE2 GLN 125 -18.033 -33.309 -1.914 No H/Q in entry = 1207 Start of MODEL 16 1 H1 LEU 5 3HT LEU 5 -8.594 26.316 -23.839 2 H2 LEU 5 2HT LEU 5 -10.004 27.104 -24.337 3 H3 LEU 5 1HT LEU 5 -8.520 27.413 -25.103 4 HA LEU 5 HA LEU 5 -8.961 29.219 -23.624 5 1HB LEU 5 2HB LEU 5 -10.429 27.834 -22.131 6 2HB LEU 5 1HB LEU 5 -8.996 27.040 -21.521 7 HG LEU 5 HG LEU 5 -8.240 29.314 -20.714 8 1HD1 LEU 5 2HD1 LEU 5 -9.715 30.651 -22.112 9 2HD1 LEU 5 1HD1 LEU 5 -11.113 30.001 -21.263 10 3HD1 LEU 5 3HD1 LEU 5 -9.951 31.008 -20.399 11 1HD2 LEU 5 3HD2 LEU 5 -9.117 27.599 -19.224 12 2HD2 LEU 5 2HD2 LEU 5 -9.645 29.203 -18.719 13 3HD2 LEU 5 1HD2 LEU 5 -10.763 28.132 -19.566 14 MD1 LEU 5 QD1 LEU 5 -10.260 30.553 -21.258 15 MD2 LEU 5 QD2 LEU 5 -9.842 28.311 -19.170 16 QB LEU 5 QB LEU 5 -9.713 27.437 -21.826 17 QD LEU 5 QQD LEU 5 -10.051 29.432 -20.214 18 H GLU 6 H GLU 6 -7.106 30.184 -22.576 19 HA GLU 6 HA GLU 6 -4.642 28.888 -23.029 20 1HB GLU 6 2HB GLU 6 -4.861 31.389 -23.108 21 2HB GLU 6 1HB GLU 6 -5.286 31.270 -21.398 22 1HG GLU 6 2HG GLU 6 -3.053 32.100 -21.909 23 2HG GLU 6 1HG GLU 6 -3.066 30.723 -20.800 24 QB GLU 6 QB GLU 6 -5.073 31.330 -22.253 25 QG GLU 6 QG GLU 6 -3.059 31.411 -21.355 26 H ALA 7 H ALA 7 -3.169 28.320 -21.472 27 HA ALA 7 HA ALA 7 -4.150 26.462 -19.645 28 1HB ALA 7 3HB ALA 7 -1.855 26.200 -18.897 29 2HB ALA 7 2HB ALA 7 -1.953 26.270 -20.654 30 3HB ALA 7 1HB ALA 7 -1.400 27.680 -19.740 31 MB ALA 7 QB ALA 7 -1.736 26.717 -19.764 32 H ASP 8 H ASP 8 -4.657 26.497 -17.664 33 HA ASP 8 HA ASP 8 -4.901 28.981 -16.106 34 1HB ASP 8 2HB ASP 8 -6.711 27.157 -16.526 35 2HB ASP 8 1HB ASP 8 -5.759 26.138 -15.467 36 QB ASP 8 QB ASP 8 -6.235 26.647 -15.996 37 H VAL 9 H VAL 9 -4.725 27.250 -13.612 38 HA VAL 9 HA VAL 9 -2.125 27.708 -13.098 39 HB VAL 9 HB VAL 9 -2.497 26.615 -10.917 40 1HG1 VAL 9 1HG1 VAL 9 -4.660 28.431 -11.945 41 2HG1 VAL 9 3HG1 VAL 9 -4.359 28.119 -10.232 42 3HG1 VAL 9 2HG1 VAL 9 -3.131 28.927 -11.219 43 1HG2 VAL 9 3HG2 VAL 9 -3.890 24.804 -11.724 44 2HG2 VAL 9 2HG2 VAL 9 -4.711 25.692 -10.424 45 3HG2 VAL 9 1HG2 VAL 9 -5.156 25.959 -12.124 46 MG1 VAL 9 QG1 VAL 9 -4.050 28.492 -11.132 47 MG2 VAL 9 QG2 VAL 9 -4.586 25.485 -11.424 48 QG VAL 9 QQG VAL 9 -4.318 26.989 -11.278 49 H THR 10 H THR 10 -3.383 25.297 -14.868 50 HA THR 10 HA THR 10 -2.809 23.313 -15.760 51 HB THR 10 HB THR 10 -0.548 22.776 -16.061 52 HG1 THR 10 1HG THR 10 -0.142 24.513 -13.924 53 1HG2 THR 10 1HG2 THR 10 -1.063 25.721 -16.386 54 2HG2 THR 10 3HG2 THR 10 0.257 24.865 -17.181 55 3HG2 THR 10 2HG2 THR 10 -1.414 24.430 -17.542 56 MG THR 10 QG2 THR 10 -0.740 25.005 -17.036 57 H MET 11 H MET 11 -1.113 21.227 -15.097 58 HA MET 11 HA MET 11 -2.455 20.262 -12.799 59 1HB MET 11 2HB MET 11 -0.250 19.096 -14.507 60 2HB MET 11 1HB MET 11 -0.997 18.253 -13.155 61 1HG MET 11 2HG MET 11 -3.168 18.392 -14.296 62 2HG MET 11 1HG MET 11 -2.394 19.206 -15.645 63 1HE MET 11 3HE MET 11 -4.222 16.632 -15.883 64 2HE MET 11 2HE MET 11 -3.477 17.434 -17.263 65 3HE MET 11 1HE MET 11 -3.320 15.685 -17.070 66 QB MET 11 QB MET 11 -0.624 18.674 -13.831 67 QG MET 11 QG MET 11 -2.781 18.799 -14.971 68 ME MET 11 QE MET 11 -3.673 16.583 -16.739 69 H THR 12 H THR 12 -1.875 21.154 -10.923 70 HA THR 12 HA THR 12 0.716 22.163 -10.404 71 HB THR 12 HB THR 12 -0.101 22.458 -8.198 72 HG1 THR 12 1HG THR 12 -1.688 20.783 -8.135 73 1HG2 THR 12 1HG2 THR 12 -1.848 23.537 -10.414 74 2HG2 THR 12 3HG2 THR 12 -1.770 24.228 -8.788 75 3HG2 THR 12 2HG2 THR 12 -0.340 24.232 -9.816 76 MG THR 12 QG2 THR 12 -1.320 23.999 -9.672 77 H GLY 13 H GLY 13 1.942 20.384 -10.896 78 1HA GLY 13 1HA GLY 13 2.231 17.969 -10.087 79 2HA GLY 13 2HA GLY 13 2.414 18.763 -8.523 80 QA GLY 13 QA GLY 13 2.323 18.366 -9.305 81 H SER 14 H SER 14 4.374 19.245 -7.980 82 HA SER 14 HA SER 14 6.509 19.044 -9.963 83 1HB SER 14 2HB SER 14 6.198 21.448 -8.155 84 2HB SER 14 1HB SER 14 7.524 21.166 -9.283 85 HG SER 14 HG SER 14 5.265 20.858 -10.577 86 QB SER 14 QB SER 14 6.861 21.307 -8.719 87 H ASP 15 H ASP 15 5.529 19.120 -6.468 88 HA ASP 15 HA ASP 15 8.112 18.107 -5.765 89 1HB ASP 15 2HB ASP 15 7.365 18.845 -3.540 90 2HB ASP 15 1HB ASP 15 7.809 20.199 -4.537 91 QB ASP 15 QB ASP 15 7.587 19.522 -4.038 92 H LEU 16 H LEU 16 6.573 16.424 -6.821 93 HA LEU 16 HA LEU 16 5.600 14.855 -4.588 94 1HB LEU 16 2HB LEU 16 4.586 14.828 -7.391 95 2HB LEU 16 1HB LEU 16 4.020 13.823 -6.067 96 HG LEU 16 HG LEU 16 2.424 15.320 -6.352 97 1HD1 LEU 16 3HD1 LEU 16 2.907 15.273 -4.024 98 2HD1 LEU 16 2HD1 LEU 16 4.055 16.601 -4.207 99 3HD1 LEU 16 1HD1 LEU 16 2.335 16.880 -4.476 100 1HD2 LEU 16 3HD2 LEU 16 4.414 17.463 -6.831 101 2HD2 LEU 16 2HD2 LEU 16 3.224 16.705 -7.914 102 3HD2 LEU 16 1HD2 LEU 16 2.673 17.751 -6.613 103 MD1 LEU 16 QD1 LEU 16 3.099 16.251 -4.236 104 MD2 LEU 16 QD2 LEU 16 3.437 17.306 -7.119 105 QB LEU 16 QB LEU 16 4.303 14.326 -6.729 106 QD LEU 16 QQD LEU 16 3.268 16.779 -5.677 107 H VAL 17 H VAL 17 5.632 12.711 -4.828 108 HA VAL 17 HA VAL 17 7.670 11.738 -6.418 109 HB VAL 17 HB VAL 17 7.846 12.027 -3.437 110 1HG1 VAL 17 3HG1 VAL 17 8.973 9.970 -5.115 111 2HG1 VAL 17 2HG1 VAL 17 9.753 10.393 -3.540 112 3HG1 VAL 17 1HG1 VAL 17 8.051 9.762 -3.612 113 1HG2 VAL 17 1HG2 VAL 17 9.091 13.595 -4.892 114 2HG2 VAL 17 3HG2 VAL 17 10.145 12.642 -3.856 115 3HG2 VAL 17 2HG2 VAL 17 9.989 12.223 -5.552 116 MG1 VAL 17 QG1 VAL 17 8.926 10.042 -4.089 117 MG2 VAL 17 QG2 VAL 17 9.742 12.820 -4.767 118 QG VAL 17 QQG VAL 17 9.334 11.431 -4.428 119 H SER 18 H SER 18 7.527 9.393 -6.349 120 HA SER 18 HA SER 18 5.216 8.173 -5.014 121 1HB SER 18 2HB SER 18 6.074 7.699 -7.870 122 2HB SER 18 1HB SER 18 5.003 6.618 -6.986 123 HG SER 18 HG SER 18 3.928 8.807 -6.568 124 QB SER 18 QB SER 18 5.538 7.159 -7.428 125 H CYS 19 H CYS 19 5.986 6.817 -3.600 126 HA CYS 19 HA CYS 19 8.304 5.187 -4.278 127 1HB CYS 19 2HB CYS 19 6.645 5.367 -1.737 128 2HB CYS 19 1HB CYS 19 8.079 4.362 -1.946 129 HG CYS 19 HG CYS 19 9.478 6.909 -2.698 130 QB CYS 19 QB CYS 19 7.362 4.864 -1.841 131 H CYS 20 H CYS 20 7.962 3.232 -5.121 132 HA CYS 20 HA CYS 20 5.162 2.293 -5.211 133 1HB CYS 20 2HB CYS 20 6.070 3.355 -7.312 134 2HB CYS 20 1HB CYS 20 7.304 2.112 -7.346 135 HG CYS 20 HG CYS 20 5.949 0.438 -8.676 136 QB CYS 20 QB CYS 20 6.687 2.733 -7.329 137 H TYR 21 H TYR 21 5.160 0.405 -3.896 138 HA TYR 21 HA TYR 21 7.776 -0.882 -3.829 139 1HB TYR 21 2HB TYR 21 7.755 -1.110 -1.531 140 2HB TYR 21 1HB TYR 21 7.320 0.554 -1.930 141 HD1 TYR 21 1HD TYR 21 5.807 -2.681 -0.842 142 HD2 TYR 21 2HD TYR 21 5.686 1.557 -0.707 143 HE1 TYR 21 1HE TYR 21 4.103 -2.793 0.843 144 HE2 TYR 21 2HE TYR 21 3.965 1.423 1.039 145 HH TYR 21 HH TYR 21 2.223 -0.189 1.800 146 QB TYR 21 QB TYR 21 7.538 -0.278 -1.731 147 QD TYR 21 QD TYR 21 5.747 -0.562 -0.775 148 QE TYR 21 QE TYR 21 4.034 -0.685 0.941 149 QR TYR 21 QR TYR 21 4.890 -0.624 0.083 150 H ARG 22 H ARG 22 7.892 -2.991 -2.975 151 HA ARG 22 HA ARG 22 5.636 -4.735 -3.729 152 1HB ARG 22 2HB ARG 22 7.590 -4.556 -5.336 153 2HB ARG 22 1HB ARG 22 8.605 -5.172 -4.066 154 1HG ARG 22 2HG ARG 22 6.321 -6.735 -5.277 155 2HG ARG 22 1HG ARG 22 7.979 -6.818 -5.845 156 1HD ARG 22 2HD ARG 22 6.867 -7.697 -3.188 157 2HD ARG 22 1HD ARG 22 7.618 -8.697 -4.427 158 HE ARG 22 HE ARG 22 8.965 -6.902 -2.547 159 1HH1 ARG 22 1HH1 ARG 22 9.387 -9.145 -5.271 160 2HH1 ARG 22 2HH1 ARG 22 10.930 -9.653 -4.766 161 1HH2 ARG 22 1HH2 ARG 22 11.113 -7.643 -1.881 162 2HH2 ARG 22 2HH2 ARG 22 11.945 -8.755 -2.841 163 QB ARG 22 QB ARG 22 8.097 -4.864 -4.701 164 QG ARG 22 QG ARG 22 7.150 -6.777 -5.561 165 QD ARG 22 QD ARG 22 7.243 -8.197 -3.808 166 QH1 ARG 22 QH1 ARG 22 10.159 -9.399 -5.018 167 QH2 ARG 22 QH2 ARG 22 11.529 -8.199 -2.361 168 H SER 23 H SER 23 5.045 -5.972 -2.011 169 HA SER 23 HA SER 23 7.066 -6.612 0.010 170 1HB SER 23 2HB SER 23 4.186 -5.935 0.602 171 2HB SER 23 1HB SER 23 5.426 -6.372 1.771 172 HG SER 23 HG SER 23 6.005 -4.328 0.047 173 QB SER 23 QB SER 23 4.806 -6.154 1.186 174 H LEU 24 H LEU 24 6.329 -8.505 1.334 175 HA LEU 24 HA LEU 24 4.985 -10.377 -0.469 176 1HB LEU 24 2HB LEU 24 7.336 -10.692 1.326 177 2HB LEU 24 1HB LEU 24 6.344 -12.112 1.044 178 HG LEU 24 HG LEU 24 8.220 -12.185 -0.400 179 1HD1 LEU 24 2HD1 LEU 24 6.124 -12.886 -1.395 180 2HD1 LEU 24 1HD1 LEU 24 5.886 -11.257 -2.030 181 3HD1 LEU 24 3HD1 LEU 24 7.235 -12.239 -2.600 182 1HD2 LEU 24 3HD2 LEU 24 8.862 -9.815 -0.332 183 2HD2 LEU 24 2HD2 LEU 24 8.793 -10.425 -1.992 184 3HD2 LEU 24 1HD2 LEU 24 7.482 -9.430 -1.360 185 MD1 LEU 24 QD1 LEU 24 6.415 -12.128 -2.008 186 MD2 LEU 24 QD2 LEU 24 8.379 -9.890 -1.228 187 QB LEU 24 QB LEU 24 6.840 -11.402 1.185 188 QD LEU 24 QQD LEU 24 7.397 -11.009 -1.618 189 H ALA 25 H ALA 25 3.418 -8.871 1.168 190 HA ALA 25 HA ALA 25 2.214 -8.838 3.274 191 1HB ALA 25 1HB ALA 25 0.798 -9.054 1.296 192 2HB ALA 25 3HB ALA 25 0.796 -10.811 1.493 193 3HB ALA 25 2HB ALA 25 0.077 -9.761 2.727 194 MB ALA 25 QB ALA 25 0.557 -9.875 1.838 195 H ALA 26 H ALA 26 2.390 -9.571 5.372 196 HA ALA 26 HA ALA 26 3.770 -11.888 5.730 197 1HB ALA 26 3HB ALA 26 4.068 -9.988 7.107 198 2HB ALA 26 2HB ALA 26 2.386 -10.051 7.667 199 3HB ALA 26 1HB ALA 26 3.525 -11.334 8.105 200 MB ALA 26 QB ALA 26 3.327 -10.458 7.627 201 HA PRO 27 HA PRO 27 0.409 -14.824 5.873 202 1HB PRO 27 2HB PRO 27 1.807 -16.714 7.259 203 2HB PRO 27 1HB PRO 27 2.042 -16.416 5.529 204 1HG PRO 27 2HG PRO 27 3.520 -15.119 7.812 205 2HG PRO 27 1HG PRO 27 4.252 -16.082 6.467 206 1HD PRO 27 2HD PRO 27 4.268 -13.553 6.452 207 2HD PRO 27 1HD PRO 27 3.632 -14.339 4.983 208 QB PRO 27 QB PRO 27 1.924 -16.565 6.394 209 QG PRO 27 QG PRO 27 3.886 -15.600 7.140 210 QD PRO 27 QD PRO 27 3.950 -13.946 5.717 211 H ASP 28 H ASP 28 1.810 -13.279 8.332 212 HA ASP 28 HA ASP 28 0.332 -14.575 10.524 213 1HB ASP 28 2HB ASP 28 2.795 -14.193 10.769 214 2HB ASP 28 1HB ASP 28 2.511 -12.464 10.678 215 QB ASP 28 QB ASP 28 2.653 -13.328 10.723 216 H LEU 29 H LEU 29 -0.511 -12.565 8.381 217 HA LEU 29 HA LEU 29 -1.393 -10.213 9.750 218 1HB LEU 29 2HB LEU 29 -1.756 -11.306 7.016 219 2HB LEU 29 1HB LEU 29 -2.767 -9.991 7.567 220 HG LEU 29 HG LEU 29 0.244 -9.917 7.471 221 1HD1 LEU 29 2HD1 LEU 29 -1.848 -8.803 5.595 222 2HD1 LEU 29 1HD1 LEU 29 -0.115 -8.404 5.590 223 3HD1 LEU 29 3HD1 LEU 29 -0.622 -10.050 5.233 224 1HD2 LEU 29 3HD2 LEU 29 -1.857 -7.836 7.983 225 2HD2 LEU 29 2HD2 LEU 29 -0.648 -8.452 9.125 226 3HD2 LEU 29 1HD2 LEU 29 -0.141 -7.521 7.724 227 MD1 LEU 29 QD1 LEU 29 -0.862 -9.086 5.472 228 MD2 LEU 29 QD2 LEU 29 -0.882 -7.937 8.277 229 QB LEU 29 QB LEU 29 -2.262 -10.649 7.292 230 QD LEU 29 QQD LEU 29 -0.872 -8.511 6.875 231 H THR 30 H THR 30 -3.509 -9.486 9.818 232 HA THR 30 HA THR 30 -5.618 -11.497 9.932 233 HB THR 30 HB THR 30 -6.577 -9.675 11.380 234 HG1 THR 30 1HG THR 30 -3.934 -9.488 12.367 235 1HG2 THR 30 2HG2 THR 30 -4.735 -11.824 12.267 236 2HG2 THR 30 1HG2 THR 30 -5.774 -10.893 13.404 237 3HG2 THR 30 3HG2 THR 30 -6.506 -11.786 12.070 238 MG THR 30 QG2 THR 30 -5.672 -11.501 12.580 239 H LEU 31 H LEU 31 -7.537 -10.829 9.142 240 HA LEU 31 HA LEU 31 -7.626 -8.974 6.999 241 1HB LEU 31 2HB LEU 31 -9.231 -10.841 7.547 242 2HB LEU 31 1HB LEU 31 -9.683 -9.739 8.871 243 HG LEU 31 HG LEU 31 -10.499 -8.095 7.291 244 1HD1 LEU 31 3HD1 LEU 31 -9.085 -8.577 5.401 245 2HD1 LEU 31 2HD1 LEU 31 -9.924 -10.117 5.139 246 3HD1 LEU 31 1HD1 LEU 31 -10.791 -8.580 4.966 247 1HD2 LEU 31 1HD2 LEU 31 -11.714 -10.816 6.891 248 2HD2 LEU 31 3HD2 LEU 31 -12.052 -9.688 8.202 249 3HD2 LEU 31 2HD2 LEU 31 -12.507 -9.275 6.545 250 MD1 LEU 31 QD1 LEU 31 -9.934 -9.091 5.169 251 MD2 LEU 31 QD2 LEU 31 -12.091 -9.926 7.213 252 QB LEU 31 QB LEU 31 -9.457 -10.290 8.209 253 QD LEU 31 QQD LEU 31 -11.012 -9.509 6.191 254 H ARG 32 H ARG 32 -8.344 -8.726 10.466 255 HA ARG 32 HA ARG 32 -9.431 -6.162 10.074 256 1HB ARG 32 2HB ARG 32 -10.031 -7.419 12.114 257 2HB ARG 32 1HB ARG 32 -8.375 -7.274 12.696 258 1HG ARG 32 2HG ARG 32 -9.827 -5.622 13.792 259 2HG ARG 32 1HG ARG 32 -8.613 -4.829 12.783 260 1HD ARG 32 2HD ARG 32 -10.384 -4.772 10.940 261 2HD ARG 32 1HD ARG 32 -11.539 -5.219 12.185 262 HE ARG 32 HE ARG 32 -10.314 -3.039 13.200 263 1HH1 ARG 32 1HH1 ARG 32 -12.046 -3.754 10.215 264 2HH1 ARG 32 2HH1 ARG 32 -12.491 -2.149 9.876 265 1HH2 ARG 32 1HH2 ARG 32 -10.863 -0.795 12.740 266 2HH2 ARG 32 2HH2 ARG 32 -11.797 -0.391 11.392 267 QB ARG 32 QB ARG 32 -9.203 -7.347 12.405 268 QG ARG 32 QG ARG 32 -9.220 -5.226 13.288 269 QD ARG 32 QD ARG 32 -10.962 -4.996 11.562 270 QH1 ARG 32 QH1 ARG 32 -12.268 -2.951 10.045 271 QH2 ARG 32 QH2 ARG 32 -11.330 -0.593 12.066 272 H ASP 33 H ASP 33 -6.240 -7.290 10.226 273 HA ASP 33 HA ASP 33 -5.113 -4.737 10.920 274 1HB ASP 33 2HB ASP 33 -3.988 -6.949 11.371 275 2HB ASP 33 1HB ASP 33 -3.728 -7.103 9.640 276 QB ASP 33 QB ASP 33 -3.858 -7.026 10.506 277 H LEU 34 H LEU 34 -6.078 -6.415 7.944 278 HA LEU 34 HA LEU 34 -4.706 -4.441 6.255 279 1HB LEU 34 2HB LEU 34 -6.899 -6.405 5.543 280 2HB LEU 34 1HB LEU 34 -6.266 -5.247 4.408 281 HG LEU 34 HG LEU 34 -5.356 -7.428 3.971 282 1HD1 LEU 34 1HD1 LEU 34 -3.886 -5.532 3.576 283 2HD1 LEU 34 3HD1 LEU 34 -3.249 -5.670 5.215 284 3HD1 LEU 34 2HD1 LEU 34 -2.976 -6.966 4.058 285 1HD2 LEU 34 3HD2 LEU 34 -5.704 -8.132 6.277 286 2HD2 LEU 34 2HD2 LEU 34 -4.151 -8.702 5.582 287 3HD2 LEU 34 1HD2 LEU 34 -4.216 -7.306 6.707 288 MD1 LEU 34 QD1 LEU 34 -3.370 -6.056 4.283 289 MD2 LEU 34 QD2 LEU 34 -4.690 -8.047 6.188 290 QB LEU 34 QB LEU 34 -6.583 -5.826 4.975 291 QD LEU 34 QQD LEU 34 -4.030 -7.051 5.236 292 H LEU 35 H LEU 35 -7.792 -5.026 7.513 293 HA LEU 35 HA LEU 35 -9.044 -2.835 6.267 294 1HB LEU 35 2HB LEU 35 -9.808 -4.655 8.529 295 2HB LEU 35 1HB LEU 35 -10.813 -3.284 8.123 296 HG LEU 35 HG LEU 35 -11.509 -5.568 7.117 297 1HD1 LEU 35 3HD1 LEU 35 -11.039 -3.235 5.258 298 2HD1 LEU 35 2HD1 LEU 35 -12.179 -4.554 4.994 299 3HD1 LEU 35 1HD1 LEU 35 -12.420 -3.435 6.337 300 1HD2 LEU 35 3HD2 LEU 35 -9.147 -6.135 6.414 301 2HD2 LEU 35 2HD2 LEU 35 -10.344 -6.347 5.126 302 3HD2 LEU 35 1HD2 LEU 35 -9.295 -4.916 5.184 303 MD1 LEU 35 QD1 LEU 35 -11.880 -3.742 5.529 304 MD2 LEU 35 QD2 LEU 35 -9.596 -5.799 5.575 305 QB LEU 35 QB LEU 35 -10.311 -3.969 8.326 306 QD LEU 35 QQD LEU 35 -10.738 -4.770 5.552 307 H ASP 36 H ASP 36 -7.364 -3.300 9.183 308 HA ASP 36 HA ASP 36 -7.814 -0.739 10.374 309 1HB ASP 36 2HB ASP 36 -6.798 -2.532 11.671 310 2HB ASP 36 1HB ASP 36 -5.385 -2.533 10.613 311 QB ASP 36 QB ASP 36 -6.092 -2.532 11.142 312 H ILE 37 H ILE 37 -5.220 -1.977 8.310 313 HA ILE 37 HA ILE 37 -3.788 0.299 7.854 314 HB ILE 37 HB ILE 37 -4.413 -2.059 6.061 315 1HG1 ILE 37 2HG1 ILE 37 -1.689 -1.264 6.760 316 2HG1 ILE 37 1HG1 ILE 37 -2.569 -1.884 8.108 317 1HG2 ILE 37 1HG2 ILE 37 -2.606 0.227 5.280 318 2HG2 ILE 37 3HG2 ILE 37 -2.735 -1.317 4.438 319 3HG2 ILE 37 2HG2 ILE 37 -4.121 -0.229 4.493 320 1HD1 ILE 37 1HD1 ILE 37 -2.083 -3.264 5.444 321 2HD1 ILE 37 3HD1 ILE 37 -1.233 -3.609 6.942 322 3HD1 ILE 37 2HD1 ILE 37 -2.936 -4.009 6.804 323 MG ILE 37 QG2 ILE 37 -3.154 -0.440 4.737 324 MD ILE 37 QD1 ILE 37 -2.084 -3.627 6.397 325 QG ILE 37 QG1 ILE 37 -2.129 -1.574 7.434 326 H VAL 38 H VAL 38 -6.546 -0.844 5.857 327 HA VAL 38 HA VAL 38 -6.561 1.431 4.250 328 HB VAL 38 HB VAL 38 -7.776 -0.470 3.341 329 1HG1 VAL 38 2HG1 VAL 38 -9.596 -0.288 5.680 330 2HG1 VAL 38 1HG1 VAL 38 -9.804 -1.350 4.263 331 3HG1 VAL 38 3HG1 VAL 38 -8.369 -1.497 5.273 332 1HG2 VAL 38 1HG2 VAL 38 -8.723 1.703 2.607 333 2HG2 VAL 38 3HG2 VAL 38 -9.946 0.438 2.712 334 3HG2 VAL 38 2HG2 VAL 38 -9.821 1.651 3.981 335 MG1 VAL 38 QG1 VAL 38 -9.256 -1.045 5.072 336 MG2 VAL 38 QG2 VAL 38 -9.497 1.264 3.100 337 QG VAL 38 QQG VAL 38 -9.377 0.109 4.086 338 H GLU 39 H GLU 39 -8.596 0.890 7.094 339 HA GLU 39 HA GLU 39 -10.072 3.234 7.010 340 1HB GLU 39 2HB GLU 39 -9.039 1.687 9.373 341 2HB GLU 39 1HB GLU 39 -10.219 2.971 9.504 342 1HG GLU 39 2HG GLU 39 -10.588 0.442 7.923 343 2HG GLU 39 1HG GLU 39 -11.200 0.713 9.549 344 QB GLU 39 QB GLU 39 -9.629 2.329 9.438 345 QG GLU 39 QG GLU 39 -10.894 0.578 8.736 346 H THR 40 H THR 40 -6.951 2.623 8.559 347 HA THR 40 HA THR 40 -6.773 5.295 9.547 348 HB THR 40 HB THR 40 -4.551 3.257 9.441 349 HG1 THR 40 1HG THR 40 -6.018 2.103 10.493 350 1HG2 THR 40 3HG2 THR 40 -5.271 5.505 11.311 351 2HG2 THR 40 2HG2 THR 40 -3.941 4.363 11.540 352 3HG2 THR 40 1HG2 THR 40 -3.944 5.466 10.145 353 MG THR 40 QG2 THR 40 -4.386 5.111 10.999 354 H SER 41 H SER 41 -5.449 3.548 6.769 355 HA SER 41 HA SER 41 -3.361 5.237 6.049 356 1HB SER 41 2HB SER 41 -3.741 2.985 5.071 357 2HB SER 41 1HB SER 41 -5.122 3.628 4.186 358 HG SER 41 HG SER 41 -3.816 4.525 2.792 359 QB SER 41 QB SER 41 -4.431 3.307 4.629 360 H GLN 42 H GLN 42 -6.741 5.320 5.014 361 HA GLN 42 HA GLN 42 -6.610 7.460 3.211 362 1HB GLN 42 2HB GLN 42 -8.798 6.634 5.062 363 2HB GLN 42 1HB GLN 42 -8.996 7.805 3.771 364 1HG GLN 42 2HG GLN 42 -8.755 6.266 2.119 365 2HG GLN 42 1HG GLN 42 -7.848 5.172 3.169 366 1HE2 GLN 42 1HE2 GLN 42 -9.750 5.331 5.369 367 2HE2 GLN 42 2HE2 GLN 42 -11.061 4.367 4.769 368 QB GLN 42 QB GLN 42 -8.897 7.219 4.417 369 QG GLN 42 QG GLN 42 -8.301 5.719 2.644 370 QE GLN 42 QE2 GLN 42 -10.406 4.849 5.069 371 H ALA 43 H ALA 43 -7.064 7.388 6.618 372 HA ALA 43 HA ALA 43 -7.624 10.147 6.888 373 1HB ALA 43 2HB ALA 43 -7.650 9.657 9.231 374 2HB ALA 43 3HB ALA 43 -6.751 8.154 8.964 375 3HB ALA 43 1HB ALA 43 -8.386 8.315 8.328 376 MB ALA 43 QB ALA 43 -7.596 8.709 8.841 377 H HIS 44 H HIS 44 -4.758 8.370 6.553 378 HA HIS 44 HA HIS 44 -3.119 10.575 7.561 379 1HB HIS 44 2HB HIS 44 -2.532 8.101 8.004 380 2HB HIS 44 1HB HIS 44 -2.253 8.082 6.258 381 HD1 HIS 44 1HD HIS 44 0.172 7.366 6.648 382 HD2 HIS 44 2HD HIS 44 -0.702 11.156 8.092 383 HE1 HIS 44 1HE HIS 44 2.376 8.375 7.300 384 HE2 HIS 44 2HE HIS 44 1.872 10.650 8.081 385 QB HIS 44 QB HIS 44 -2.393 8.092 7.131 386 H ASN 45 H ASN 45 -3.810 8.814 4.520 387 HA ASN 45 HA ASN 45 -2.014 10.475 3.086 388 1HB ASN 45 2HB ASN 45 -2.680 9.402 1.030 389 2HB ASN 45 1HB ASN 45 -2.576 8.168 2.267 390 1HD2 ASN 45 1HD2 ASN 45 -4.660 9.940 0.135 391 2HD2 ASN 45 2HD2 ASN 45 -6.047 8.929 0.375 392 QB ASN 45 QB ASN 45 -2.628 8.785 1.648 393 QD ASN 45 QD2 ASN 45 -5.354 9.434 0.255 394 H ALA 46 H ALA 46 -5.418 10.719 3.810 395 HA ALA 46 HA ALA 46 -6.030 12.797 2.020 396 1HB ALA 46 2HB ALA 46 -7.784 13.422 3.620 397 2HB ALA 46 3HB ALA 46 -7.016 12.409 4.846 398 3HB ALA 46 1HB ALA 46 -7.732 11.670 3.411 399 MB ALA 46 QB ALA 46 -7.511 12.500 3.959 400 H ARG 47 H ARG 47 -4.690 12.757 5.259 401 HA ARG 47 HA ARG 47 -4.362 15.535 5.572 402 1HB ARG 47 2HB ARG 47 -4.256 13.842 7.442 403 2HB ARG 47 1HB ARG 47 -2.720 13.347 6.709 404 1HG ARG 47 2HG ARG 47 -2.295 14.761 8.643 405 2HG ARG 47 1HG ARG 47 -1.741 15.481 7.129 406 1HD ARG 47 2HD ARG 47 -2.759 17.181 8.462 407 2HD ARG 47 1HD ARG 47 -3.792 16.859 7.081 408 HE ARG 47 HE ARG 47 -4.520 15.345 9.391 409 1HH1 ARG 47 1HH1 ARG 47 -4.942 18.416 7.738 410 2HH1 ARG 47 2HH1 ARG 47 -6.300 18.920 8.622 411 1HH2 ARG 47 1HH2 ARG 47 -6.365 16.002 10.657 412 2HH2 ARG 47 2HH2 ARG 47 -7.166 17.470 10.335 413 QB ARG 47 QB ARG 47 -3.488 13.594 7.075 414 QG ARG 47 QG ARG 47 -2.018 15.121 7.886 415 QD ARG 47 QD ARG 47 -3.276 17.020 7.772 416 QH1 ARG 47 QH1 ARG 47 -5.621 18.668 8.180 417 QH2 ARG 47 QH2 ARG 47 -6.766 16.736 10.496 418 H ALA 48 H ALA 48 -2.142 13.001 4.526 419 HA ALA 48 HA ALA 48 -0.180 14.943 4.212 420 1HB ALA 48 1HB ALA 48 0.347 12.710 4.921 421 2HB ALA 48 2HB ALA 48 1.284 13.206 3.507 422 3HB ALA 48 3HB ALA 48 -0.083 12.082 3.323 423 MB ALA 48 QB ALA 48 0.516 12.666 3.917 424 H GLN 49 H GLN 49 -2.751 14.226 2.292 425 HA GLN 49 HA GLN 49 -3.489 14.862 0.247 426 1HB GLN 49 2HB GLN 49 -0.813 16.228 0.053 427 2HB GLN 49 1HB GLN 49 -2.135 16.489 -1.115 428 1HG GLN 49 2HG GLN 49 -3.067 17.908 0.295 429 2HG GLN 49 1HG GLN 49 -2.789 16.695 1.593 430 1HE2 GLN 49 1HE2 GLN 49 -1.167 16.876 2.906 431 2HE2 GLN 49 2HE2 GLN 49 0.038 18.096 2.927 432 QB GLN 49 QB GLN 49 -1.474 16.358 -0.531 433 QG GLN 49 QG GLN 49 -2.928 17.301 0.944 434 QE GLN 49 QE2 GLN 49 -0.565 17.486 2.916 435 H LEU 50 H LEU 50 -1.852 12.617 0.822 436 HA LEU 50 HA LEU 50 -0.488 11.823 -1.581 437 1HB LEU 50 2HB LEU 50 -0.985 10.687 1.073 438 2HB LEU 50 1HB LEU 50 -0.732 9.540 -0.224 439 HG LEU 50 HG LEU 50 1.397 10.477 -0.684 440 1HD1 LEU 50 1HD1 LEU 50 0.883 12.400 1.555 441 2HD1 LEU 50 3HD1 LEU 50 2.435 12.163 0.754 442 3HD1 LEU 50 2HD1 LEU 50 1.055 12.790 -0.152 443 1HD2 LEU 50 1HD2 LEU 50 1.249 8.736 0.950 444 2HD2 LEU 50 3HD2 LEU 50 2.551 9.851 1.358 445 3HD2 LEU 50 2HD2 LEU 50 1.022 9.933 2.228 446 MD1 LEU 50 QD1 LEU 50 1.458 12.451 0.719 447 MD2 LEU 50 QD2 LEU 50 1.608 9.507 1.512 448 QB LEU 50 QB LEU 50 -0.859 10.114 0.425 449 QD LEU 50 QQD LEU 50 1.533 10.979 1.115 450 H THR 51 H THR 51 -1.142 10.536 -3.168 451 HA THR 51 HA THR 51 -3.842 9.476 -3.067 452 HB THR 51 HB THR 51 -3.966 10.047 -5.503 453 HG1 THR 51 1HG THR 51 -1.937 10.231 -6.277 454 1HG2 THR 51 2HG2 THR 51 -4.669 11.529 -3.709 455 2HG2 THR 51 1HG2 THR 51 -3.075 12.304 -3.756 456 3HG2 THR 51 3HG2 THR 51 -4.162 12.428 -5.162 457 MG THR 51 QG2 THR 51 -3.969 12.087 -4.209 458 H GLY 52 H GLY 52 -4.079 7.417 -4.372 459 1HA GLY 52 1HA GLY 52 -2.353 5.669 -3.128 460 2HA GLY 52 2HA GLY 52 -1.714 5.889 -4.746 461 QA GLY 52 QA GLY 52 -2.033 5.779 -3.937 462 H ALA 53 H ALA 53 -2.136 3.558 -4.353 463 HA ALA 53 HA ALA 53 -4.734 2.559 -4.426 464 1HB ALA 53 3HB ALA 53 -4.753 3.324 -6.779 465 2HB ALA 53 1HB ALA 53 -4.828 1.565 -6.682 466 3HB ALA 53 2HB ALA 53 -3.308 2.365 -7.091 467 MB ALA 53 QB ALA 53 -4.296 2.418 -6.851 468 H LEU 54 H LEU 54 -4.640 0.085 -5.016 469 HA LEU 54 HA LEU 54 -2.120 -0.950 -3.998 470 1HB LEU 54 2HB LEU 54 -3.430 -0.472 -2.037 471 2HB LEU 54 1HB LEU 54 -4.847 -1.179 -2.756 472 HG LEU 54 HG LEU 54 -3.807 -2.410 -0.825 473 1HD1 LEU 54 3HD1 LEU 54 -5.393 -3.513 -2.240 474 2HD1 LEU 54 2HD1 LEU 54 -4.112 -3.966 -3.367 475 3HD1 LEU 54 1HD1 LEU 54 -4.132 -4.635 -1.735 476 1HD2 LEU 54 3HD2 LEU 54 -1.684 -3.049 -2.854 477 2HD2 LEU 54 2HD2 LEU 54 -1.481 -2.194 -1.319 478 3HD2 LEU 54 1HD2 LEU 54 -1.913 -3.902 -1.326 479 MD1 LEU 54 QD1 LEU 54 -4.546 -4.038 -2.447 480 MD2 LEU 54 QD2 LEU 54 -1.692 -3.048 -1.833 481 QB LEU 54 QB LEU 54 -4.138 -0.826 -2.397 482 QD LEU 54 QQD LEU 54 -3.119 -3.543 -2.140 483 H PHE 55 H PHE 55 -1.633 -2.984 -4.697 484 HA PHE 55 HA PHE 55 -3.702 -4.575 -5.988 485 1HB PHE 55 2HB PHE 55 -0.856 -4.114 -6.971 486 2HB PHE 55 1HB PHE 55 -1.893 -5.395 -7.570 487 HD1 PHE 55 1HD PHE 55 -3.675 -4.927 -9.104 488 HD2 PHE 55 2HD PHE 55 -1.303 -1.757 -7.541 489 HE1 PHE 55 1HE PHE 55 -4.558 -3.414 -10.830 490 HE2 PHE 55 2HE PHE 55 -2.178 -0.250 -9.266 491 HZ PHE 55 HZ PHE 55 -3.811 -1.073 -10.915 492 QB PHE 55 QB PHE 55 -1.375 -4.755 -7.270 493 QD PHE 55 QD PHE 55 -2.489 -3.342 -8.323 494 QE PHE 55 QE PHE 55 -3.368 -1.832 -10.048 495 QR PHE 55 QR PHE 55 -3.105 -2.284 -9.531 496 H TYR 56 H TYR 56 -3.948 -6.186 -4.567 497 HA TYR 56 HA TYR 56 -1.547 -7.433 -3.417 498 1HB TYR 56 2HB TYR 56 -2.820 -6.298 -1.667 499 2HB TYR 56 1HB TYR 56 -4.319 -7.028 -2.135 500 HD1 TYR 56 1HD TYR 56 -3.427 -9.967 -2.237 501 HD2 TYR 56 2HD TYR 56 -2.513 -6.862 0.521 502 HE1 TYR 56 1HE TYR 56 -3.054 -11.642 -0.483 503 HE2 TYR 56 2HE TYR 56 -2.124 -8.537 2.272 504 HH TYR 56 HH TYR 56 -2.807 -10.879 2.777 505 QB TYR 56 QB TYR 56 -3.569 -6.663 -1.901 506 QD TYR 56 QD TYR 56 -2.970 -8.414 -0.858 507 QE TYR 56 QE TYR 56 -2.589 -10.090 0.895 508 QR TYR 56 QR TYR 56 -2.779 -9.252 0.018 509 H SER 57 H SER 57 -1.247 -9.251 -4.617 510 HA SER 57 HA SER 57 -3.652 -10.653 -5.353 511 1HB SER 57 2HB SER 57 -2.233 -11.528 -7.274 512 2HB SER 57 1HB SER 57 -2.720 -9.836 -7.339 513 HG SER 57 HG SER 57 -0.245 -10.967 -7.073 514 QB SER 57 QB SER 57 -2.477 -10.682 -7.306 515 H GLN 58 H GLN 58 -3.786 -11.807 -3.631 516 HA GLN 58 HA GLN 58 -3.775 -13.586 -2.357 517 1HB GLN 58 2HB GLN 58 -3.326 -15.722 -3.303 518 2HB GLN 58 1HB GLN 58 -3.785 -14.577 -4.568 519 1HG GLN 58 2HG GLN 58 -1.536 -14.426 -5.367 520 2HG GLN 58 1HG GLN 58 -0.956 -15.435 -4.041 521 1HE2 GLN 58 1HE2 GLN 58 -0.129 -17.001 -5.423 522 2HE2 GLN 58 2HE2 GLN 58 -1.133 -18.050 -6.338 523 QB GLN 58 QB GLN 58 -3.555 -15.149 -3.935 524 QG GLN 58 QG GLN 58 -1.246 -14.931 -4.704 525 QE GLN 58 QE2 GLN 58 -0.631 -17.525 -5.881 526 H GLY 59 H GLY 59 -0.773 -12.195 -2.809 527 1HA GLY 59 1HA GLY 59 0.885 -13.839 -1.204 528 2HA GLY 59 2HA GLY 59 0.008 -12.737 -0.164 529 QA GLY 59 QA GLY 59 0.446 -13.288 -0.684 530 H VAL 60 H VAL 60 1.012 -11.953 -3.426 531 HA VAL 60 HA VAL 60 3.171 -10.442 -2.299 532 HB VAL 60 HB VAL 60 3.814 -9.837 -4.605 533 1HG1 VAL 60 1HG1 VAL 60 3.325 -12.776 -4.202 534 2HG1 VAL 60 3HG1 VAL 60 4.436 -12.075 -5.375 535 3HG1 VAL 60 2HG1 VAL 60 4.723 -11.852 -3.649 536 1HG2 VAL 60 2HG2 VAL 60 1.596 -9.794 -5.647 537 2HG2 VAL 60 1HG2 VAL 60 2.693 -10.863 -6.526 538 3HG2 VAL 60 3HG2 VAL 60 1.470 -11.543 -5.453 539 MG1 VAL 60 QG1 VAL 60 4.161 -12.234 -4.409 540 MG2 VAL 60 QG2 VAL 60 1.920 -10.733 -5.875 541 QG VAL 60 QQG VAL 60 3.041 -11.484 -5.142 542 H PHE 61 H PHE 61 3.120 -8.511 -1.754 543 HA PHE 61 HA PHE 61 0.727 -6.862 -2.099 544 1HB PHE 61 2HB PHE 61 2.838 -7.204 -0.261 545 2HB PHE 61 1HB PHE 61 2.848 -5.551 -0.847 546 HD1 PHE 61 1HD PHE 61 2.201 -7.111 1.828 547 HD2 PHE 61 2HD PHE 61 -0.078 -5.008 -1.064 548 HE1 PHE 61 1HE PHE 61 0.598 -6.538 3.543 549 HE2 PHE 61 2HE PHE 61 -1.704 -4.414 0.679 550 HZ PHE 61 HZ PHE 61 -1.324 -5.179 2.996 551 QB PHE 61 QB PHE 61 2.843 -6.377 -0.554 552 QD PHE 61 QD PHE 61 1.062 -6.060 0.382 553 QE PHE 61 QE PHE 61 -0.553 -5.476 2.111 554 QR PHE 61 QR PHE 61 -0.061 -5.650 1.596 555 H PHE 62 H PHE 62 0.704 -5.394 -3.814 556 HA PHE 62 HA PHE 62 3.196 -3.934 -4.273 557 1HB PHE 62 2HB PHE 62 2.614 -5.257 -6.256 558 2HB PHE 62 1HB PHE 62 0.986 -4.593 -6.243 559 HD1 PHE 62 1HD PHE 62 0.548 -2.407 -7.137 560 HD2 PHE 62 2HD PHE 62 4.518 -3.892 -6.897 561 HE1 PHE 62 1HE PHE 62 1.312 -0.579 -8.611 562 HE2 PHE 62 2HE PHE 62 5.286 -2.073 -8.368 563 HZ PHE 62 HZ PHE 62 3.678 -0.429 -9.223 564 QB PHE 62 QB PHE 62 1.800 -4.925 -6.250 565 QD PHE 62 QD PHE 62 2.533 -3.150 -7.017 566 QE PHE 62 QE PHE 62 3.299 -1.326 -8.489 567 QR PHE 62 QR PHE 62 3.069 -1.876 -8.047 568 H GLN 63 H GLN 63 2.969 -1.957 -3.458 569 HA GLN 63 HA GLN 63 0.355 -0.635 -3.589 570 1HB GLN 63 2HB GLN 63 0.850 -1.933 -1.357 571 2HB GLN 63 1HB GLN 63 1.974 -0.635 -1.041 572 1HG GLN 63 2HG GLN 63 -0.954 -0.198 -1.569 573 2HG GLN 63 1HG GLN 63 -0.304 -0.470 0.032 574 1HE2 GLN 63 1HE2 GLN 63 2.100 1.212 -0.591 575 2HE2 GLN 63 2HE2 GLN 63 1.476 2.837 -0.601 576 QB GLN 63 QB GLN 63 1.412 -1.284 -1.199 577 QG GLN 63 QG GLN 63 -0.629 -0.334 -0.768 578 QE GLN 63 QE2 GLN 63 1.788 2.024 -0.596 579 H TRP 64 H TRP 64 0.651 1.581 -4.026 580 HA TRP 64 HA TRP 64 3.253 2.578 -3.411 581 1HB TRP 64 2HB TRP 64 3.772 3.432 -5.515 582 2HB TRP 64 1HB TRP 64 3.253 1.752 -5.809 583 HD1 TRP 64 HD TRP 64 3.245 5.018 -7.179 584 HE1 TRP 64 1HE TRP 64 1.391 5.368 -8.861 585 HE3 TRP 64 3HE TRP 64 0.292 1.042 -5.947 586 HZ2 TRP 64 2HZ TRP 64 -1.023 4.151 -9.600 587 HZ3 TRP 64 3HZ TRP 64 -1.816 0.747 -7.176 588 HH2 TRP 64 HH TRP 64 -2.437 2.251 -8.986 589 QB TRP 64 QB TRP 64 3.512 2.592 -5.662 590 H LEU 65 H LEU 65 3.276 5.017 -3.785 591 HA LEU 65 HA LEU 65 0.664 6.216 -3.453 592 1HB LEU 65 2HB LEU 65 1.390 7.376 -1.388 593 2HB LEU 65 1HB LEU 65 1.117 5.660 -1.195 594 HG LEU 65 HG LEU 65 3.847 6.748 -1.658 595 1HD1 LEU 65 1HD1 LEU 65 2.333 6.455 0.933 596 2HD1 LEU 65 3HD1 LEU 65 4.079 6.687 0.858 597 3HD1 LEU 65 2HD1 LEU 65 3.011 7.949 0.256 598 1HD2 LEU 65 3HD2 LEU 65 3.595 4.318 -1.806 599 2HD2 LEU 65 2HD2 LEU 65 4.557 4.748 -0.387 600 3HD2 LEU 65 1HD2 LEU 65 2.864 4.285 -0.201 601 MD1 LEU 65 QD1 LEU 65 3.141 7.030 0.682 602 MD2 LEU 65 QD2 LEU 65 3.672 4.450 -0.798 603 QB LEU 65 QB LEU 65 1.254 6.518 -1.292 604 QD LEU 65 QQD LEU 65 3.407 5.740 -0.058 605 H GLU 66 H GLU 66 0.534 8.243 -4.098 606 HA GLU 66 HA GLU 66 2.912 9.589 -5.207 607 1HB GLU 66 2HB GLU 66 0.004 10.390 -5.445 608 2HB GLU 66 1HB GLU 66 1.368 10.898 -6.408 609 1HG GLU 66 2HG GLU 66 1.399 8.818 -7.580 610 2HG GLU 66 1HG GLU 66 0.130 8.169 -6.527 611 QB GLU 66 QB GLU 66 0.686 10.644 -5.927 612 QG GLU 66 QG GLU 66 0.764 8.493 -7.053 613 H GLY 67 H GLY 67 3.704 11.214 -3.876 614 1HA GLY 67 1HA GLY 67 2.671 11.986 -1.477 615 2HA GLY 67 2HA GLY 67 1.871 13.019 -2.657 616 QA GLY 67 QA GLY 67 2.271 12.502 -2.067 617 H HIS 68 H HIS 68 3.208 14.597 -1.177 618 HA HIS 68 HA HIS 68 5.602 15.440 -2.504 619 1HB HIS 68 2HB HIS 68 4.315 17.141 -1.382 620 2HB HIS 68 1HB HIS 68 4.332 16.291 0.132 621 HD1 HIS 68 1HD HIS 68 6.346 16.585 1.664 622 HD2 HIS 68 2HD HIS 68 6.441 18.423 -1.966 623 HE1 HIS 68 1HE HIS 68 8.392 17.944 1.814 624 HE2 HIS 68 2HE HIS 68 8.637 18.937 -0.510 625 QB HIS 68 QB HIS 68 4.323 16.716 -0.625 626 HA PRO 69 HA PRO 69 8.555 12.383 -1.274 627 1HB PRO 69 2HB PRO 69 10.509 14.292 -0.403 628 2HB PRO 69 1HB PRO 69 10.473 13.345 -1.890 629 1HG PRO 69 2HG PRO 69 9.552 16.112 -1.403 630 2HG PRO 69 1HG PRO 69 10.094 15.367 -2.913 631 1HD PRO 69 2HD PRO 69 7.549 15.966 -2.509 632 2HD PRO 69 1HD PRO 69 7.973 14.453 -3.336 633 QB PRO 69 QB PRO 69 10.491 13.818 -1.147 634 QG PRO 69 QG PRO 69 9.823 15.740 -2.158 635 QD PRO 69 QD PRO 69 7.761 15.209 -2.922 636 H ALA 70 H ALA 70 8.728 14.995 1.169 637 HA ALA 70 HA ALA 70 9.477 13.089 3.103 638 1HB ALA 70 3HB ALA 70 10.154 15.377 3.371 639 2HB ALA 70 1HB ALA 70 9.209 14.798 4.750 640 3HB ALA 70 2HB ALA 70 8.451 15.859 3.520 641 MB ALA 70 QB ALA 70 9.271 15.345 3.880 642 H ALA 71 H ALA 71 6.418 14.137 2.152 643 HA ALA 71 HA ALA 71 5.017 13.244 4.416 644 1HB ALA 71 3HB ALA 71 4.331 13.309 1.548 645 2HB ALA 71 2HB ALA 71 3.135 13.032 2.813 646 3HB ALA 71 1HB ALA 71 3.986 14.615 2.692 647 MB ALA 71 QB ALA 71 3.817 13.652 2.351 648 H VAL 72 H VAL 72 5.935 11.928 1.380 649 HA VAL 72 HA VAL 72 4.877 9.316 1.490 650 HB VAL 72 HB VAL 72 7.515 9.816 0.175 651 1HG1 VAL 72 3HG1 VAL 72 6.417 7.702 -0.079 652 2HG1 VAL 72 2HG1 VAL 72 5.013 8.590 -0.725 653 3HG1 VAL 72 1HG1 VAL 72 6.556 8.604 -1.623 654 1HG2 VAL 72 3HG2 VAL 72 4.968 11.036 -0.804 655 2HG2 VAL 72 2HG2 VAL 72 6.473 11.837 -0.274 656 3HG2 VAL 72 1HG2 VAL 72 6.465 10.858 -1.743 657 MG1 VAL 72 QG1 VAL 72 5.995 8.299 -0.809 658 MG2 VAL 72 QG2 VAL 72 5.969 11.244 -0.941 659 QG VAL 72 QQG VAL 72 5.982 9.771 -0.875 660 H ALA 73 H ALA 73 7.957 10.699 2.475 661 HA ALA 73 HA ALA 73 9.056 8.241 3.299 662 1HB ALA 73 2HB ALA 73 9.857 11.004 4.035 663 2HB ALA 73 1HB ALA 73 10.731 9.432 4.311 664 3HB ALA 73 3HB ALA 73 10.434 10.005 2.663 665 MB ALA 73 QB ALA 73 10.341 10.147 3.670 666 H GLU 74 H GLU 74 7.403 10.797 5.029 667 HA GLU 74 HA GLU 74 7.733 9.760 7.681 668 1HB GLU 74 2HB GLU 74 6.952 12.109 6.907 669 2HB GLU 74 1HB GLU 74 5.421 11.374 6.525 670 1HG GLU 74 2HG GLU 74 6.571 11.364 9.303 671 2HG GLU 74 1HG GLU 74 5.619 12.703 8.677 672 QB GLU 74 QB GLU 74 6.186 11.741 6.716 673 QG GLU 74 QG GLU 74 6.095 12.033 8.990 674 H VAL 75 H VAL 75 5.484 9.245 5.107 675 HA VAL 75 HA VAL 75 3.966 7.255 6.336 676 HB VAL 75 HB VAL 75 4.632 7.791 3.422 677 1HG1 VAL 75 1HG1 VAL 75 2.633 5.845 4.526 678 2HG1 VAL 75 3HG1 VAL 75 2.853 6.316 2.831 679 3HG1 VAL 75 2HG1 VAL 75 4.145 5.459 3.668 680 1HG2 VAL 75 2HG2 VAL 75 2.150 8.234 5.047 681 2HG2 VAL 75 1HG2 VAL 75 3.276 9.471 4.491 682 3HG2 VAL 75 3HG2 VAL 75 2.324 8.555 3.322 683 MG1 VAL 75 QG1 VAL 75 3.210 5.873 3.675 684 MG2 VAL 75 QG2 VAL 75 2.583 8.753 4.287 685 QG VAL 75 QQG VAL 75 2.897 7.313 3.981 686 H MET 76 H MET 76 6.814 6.856 4.014 687 HA MET 76 HA MET 76 7.257 4.208 4.208 688 1HB MET 76 2HB MET 76 9.245 6.402 4.282 689 2HB MET 76 1HB MET 76 9.696 4.781 3.892 690 1HG MET 76 2HG MET 76 7.675 6.256 2.303 691 2HG MET 76 1HG MET 76 9.390 6.456 1.955 692 1HE MET 76 2HE MET 76 6.293 4.274 2.001 693 2HE MET 76 1HE MET 76 6.762 2.786 1.128 694 3HE MET 76 3HE MET 76 7.348 3.062 2.757 695 QB MET 76 QB MET 76 9.471 5.591 4.087 696 QG MET 76 QG MET 76 8.532 6.356 2.129 697 ME MET 76 QE MET 76 6.801 3.374 1.962 698 H SER 77 H SER 77 8.601 6.626 6.440 699 HA SER 77 HA SER 77 10.028 4.872 8.061 700 1HB SER 77 2HB SER 77 8.653 7.431 8.855 701 2HB SER 77 1HB SER 77 9.986 6.670 9.728 702 HG SER 77 HG SER 77 9.970 7.891 7.188 703 QB SER 77 QB SER 77 9.319 7.051 9.292 704 H HIS 78 H HIS 78 6.627 5.752 8.301 705 HA HIS 78 HA HIS 78 6.188 4.133 10.651 706 1HB HIS 78 2HB HIS 78 4.220 5.037 8.560 707 2HB HIS 78 1HB HIS 78 3.754 4.012 9.901 708 HD1 HIS 78 1HD HIS 78 4.560 5.238 12.366 709 HD2 HIS 78 2HD HIS 78 3.723 7.556 9.038 710 HE1 HIS 78 1HE HIS 78 4.164 7.523 13.237 711 HE2 HIS 78 2HE HIS 78 4.112 8.913 11.080 712 QB HIS 78 QB HIS 78 3.987 4.525 9.231 713 H ILE 79 H ILE 79 6.026 3.428 7.249 714 HA ILE 79 HA ILE 79 4.916 0.750 7.769 715 HB ILE 79 HB ILE 79 5.735 1.451 5.020 716 1HG1 ILE 79 2HG1 ILE 79 3.388 2.853 6.293 717 2HG1 ILE 79 1HG1 ILE 79 4.872 3.607 5.696 718 1HG2 ILE 79 1HG2 ILE 79 4.372 -0.532 5.754 719 2HG2 ILE 79 3HG2 ILE 79 3.097 0.588 6.258 720 3HG2 ILE 79 2HG2 ILE 79 3.575 0.474 4.556 721 1HD1 ILE 79 3HD1 ILE 79 2.975 2.034 3.976 722 2HD1 ILE 79 2HD1 ILE 79 2.973 3.791 4.100 723 3HD1 ILE 79 1HD1 ILE 79 4.378 2.946 3.441 724 MG ILE 79 QG2 ILE 79 3.681 0.177 5.523 725 MD ILE 79 QD1 ILE 79 3.442 2.924 3.839 726 QG ILE 79 QG1 ILE 79 4.130 3.230 5.995 727 H GLN 80 H GLN 80 8.007 2.099 7.153 728 HA GLN 80 HA GLN 80 9.053 -0.356 6.260 729 1HB GLN 80 2HB GLN 80 10.471 2.142 7.167 730 2HB GLN 80 1HB GLN 80 11.317 0.704 6.610 731 1HG GLN 80 2HG GLN 80 9.441 2.451 4.996 732 2HG GLN 80 1HG GLN 80 11.128 2.090 4.636 733 1HE2 GLN 80 1HE2 GLN 80 7.951 1.187 4.485 734 2HE2 GLN 80 2HE2 GLN 80 8.222 -0.229 3.505 735 QB GLN 80 QB GLN 80 10.894 1.423 6.889 736 QG GLN 80 QG GLN 80 10.285 2.271 4.816 737 QE GLN 80 QE2 GLN 80 8.086 0.479 3.995 738 H ARG 81 H ARG 81 8.386 0.842 9.345 739 HA ARG 81 HA ARG 81 9.918 -1.305 10.465 740 1HB ARG 81 2HB ARG 81 8.124 0.749 11.814 741 2HB ARG 81 1HB ARG 81 9.018 -0.525 12.662 742 1HG ARG 81 2HG ARG 81 11.072 0.252 11.808 743 2HG ARG 81 1HG ARG 81 10.269 1.538 10.906 744 1HD ARG 81 2HD ARG 81 9.572 2.524 13.069 745 2HD ARG 81 1HD ARG 81 10.440 1.232 13.910 746 HE ARG 81 HE ARG 81 12.088 2.534 12.013 747 1HH1 ARG 81 1HH1 ARG 81 10.844 2.989 15.312 748 2HH1 ARG 81 2HH1 ARG 81 12.181 3.924 15.801 749 1HH2 ARG 81 1HH2 ARG 81 13.891 3.792 12.743 750 2HH2 ARG 81 2HH2 ARG 81 13.926 4.373 14.353 751 QB ARG 81 QB ARG 81 8.571 0.112 12.238 752 QG ARG 81 QG ARG 81 10.671 0.895 11.357 753 QD ARG 81 QD ARG 81 10.006 1.878 13.489 754 QH1 ARG 81 QH1 ARG 81 11.513 3.456 15.556 755 QH2 ARG 81 QH2 ARG 81 13.908 4.083 13.548 756 H ASP 82 H ASP 82 8.288 -2.026 8.609 757 HA ASP 82 HA ASP 82 5.997 -3.217 8.795 758 1HB ASP 82 2HB ASP 82 6.961 -3.452 6.929 759 2HB ASP 82 1HB ASP 82 8.526 -4.080 7.428 760 QB ASP 82 QB ASP 82 7.743 -3.766 7.179 761 H ARG 83 H ARG 83 5.523 -5.438 8.802 762 HA ARG 83 HA ARG 83 5.751 -7.180 10.859 763 1HB ARG 83 2HB ARG 83 4.016 -6.214 12.492 764 2HB ARG 83 1HB ARG 83 5.603 -5.457 12.528 765 1HG ARG 83 2HG ARG 83 4.741 -3.682 11.020 766 2HG ARG 83 1HG ARG 83 3.154 -4.405 11.135 767 1HD ARG 83 2HD ARG 83 4.675 -3.471 13.574 768 2HD ARG 83 1HD ARG 83 3.541 -2.447 12.704 769 HE ARG 83 HE ARG 83 2.048 -4.623 13.245 770 1HH1 ARG 83 1HH1 ARG 83 4.118 -2.704 15.364 771 2HH1 ARG 83 2HH1 ARG 83 3.079 -2.806 16.708 772 1HH2 ARG 83 1HH2 ARG 83 0.653 -4.798 15.059 773 2HH2 ARG 83 2HH2 ARG 83 1.074 -4.074 16.547 774 QB ARG 83 QB ARG 83 4.810 -5.836 12.510 775 QG ARG 83 QG ARG 83 3.947 -4.044 11.077 776 QD ARG 83 QD ARG 83 4.108 -2.959 13.139 777 QH1 ARG 83 QH1 ARG 83 3.599 -2.755 16.036 778 QH2 ARG 83 QH2 ARG 83 0.863 -4.436 15.803 779 H ARG 84 H ARG 84 3.745 -5.161 8.766 780 HA ARG 84 HA ARG 84 1.573 -7.118 8.775 781 1HB ARG 84 2HB ARG 84 1.559 -4.489 7.333 782 2HB ARG 84 1HB ARG 84 0.200 -5.456 7.877 783 1HG ARG 84 2HG ARG 84 0.923 -4.925 10.257 784 2HG ARG 84 1HG ARG 84 2.082 -3.805 9.545 785 1HD ARG 84 2HD ARG 84 0.180 -2.695 8.400 786 2HD ARG 84 1HD ARG 84 -0.899 -3.713 9.355 787 HE ARG 84 HE ARG 84 1.068 -2.073 10.737 788 1HH1 ARG 84 1HH1 ARG 84 -2.361 -2.785 10.167 789 2HH1 ARG 84 2HH1 ARG 84 -2.957 -1.531 11.150 790 1HH2 ARG 84 1HH2 ARG 84 0.255 -0.370 12.143 791 2HH2 ARG 84 2HH2 ARG 84 -1.408 -0.118 12.298 792 QB ARG 84 QB ARG 84 0.880 -4.972 7.605 793 QG ARG 84 QG ARG 84 1.502 -4.365 9.901 794 QD ARG 84 QD ARG 84 -0.360 -3.204 8.877 795 QH1 ARG 84 QH1 ARG 84 -2.659 -2.158 10.658 796 QH2 ARG 84 QH2 ARG 84 -0.577 -0.244 12.220 797 H HIS 85 H HIS 85 4.128 -5.917 6.729 798 HA HIS 85 HA HIS 85 2.950 -7.316 4.508 799 1HB HIS 85 2HB HIS 85 3.630 -5.539 2.945 800 2HB HIS 85 1HB HIS 85 2.299 -5.074 3.993 801 HD1 HIS 85 1HD HIS 85 3.562 -2.731 2.775 802 HD2 HIS 85 2HD HIS 85 5.278 -4.396 6.157 803 HE1 HIS 85 1HE HIS 85 5.084 -1.046 3.811 804 HE2 HIS 85 2HE HIS 85 5.929 -2.020 5.847 805 QB HIS 85 QB HIS 85 2.964 -5.307 3.469 806 H SER 86 H SER 86 4.169 -8.783 4.558 807 HA SER 86 HA SER 86 6.294 -9.540 5.880 808 1HB SER 86 2HB SER 86 4.786 -10.428 3.895 809 2HB SER 86 1HB SER 86 6.477 -10.746 3.466 810 HG SER 86 HG SER 86 6.211 -11.387 6.038 811 QB SER 86 QB SER 86 5.631 -10.587 3.680 812 H ASN 87 H ASN 87 7.312 -7.175 4.283 813 HA ASN 87 HA ASN 87 9.987 -7.938 3.825 814 1HB ASN 87 2HB ASN 87 8.978 -9.182 1.923 815 2HB ASN 87 1HB ASN 87 8.423 -7.654 1.280 816 1HD2 ASN 87 1HD2 ASN 87 11.556 -8.486 2.738 817 2HD2 ASN 87 2HD2 ASN 87 12.435 -8.127 1.309 818 QB ASN 87 QB ASN 87 8.700 -8.418 1.601 819 QD ASN 87 QD2 ASN 87 11.995 -8.307 2.024 820 H VAL 88 H VAL 88 7.669 -6.073 2.660 821 HA VAL 88 HA VAL 88 7.837 -4.389 1.221 822 HB VAL 88 HB VAL 88 6.761 -3.712 3.090 823 1HG1 VAL 88 3HG1 VAL 88 8.341 -3.869 4.741 824 2HG1 VAL 88 2HG1 VAL 88 9.258 -2.437 4.046 825 3HG1 VAL 88 1HG1 VAL 88 7.596 -2.240 4.661 826 1HG2 VAL 88 2HG2 VAL 88 6.976 -2.186 1.183 827 2HG2 VAL 88 1HG2 VAL 88 6.796 -1.295 2.695 828 3HG2 VAL 88 3HG2 VAL 88 8.381 -1.451 1.950 829 MG1 VAL 88 QG1 VAL 88 8.398 -2.848 4.483 830 MG2 VAL 88 QG2 VAL 88 7.384 -1.644 1.942 831 QG VAL 88 QQG VAL 88 7.891 -2.246 3.212 832 H GLU 89 H GLU 89 9.157 -4.570 -0.204 833 HA GLU 89 HA GLU 89 11.411 -2.830 0.179 834 1HB GLU 89 2HB GLU 89 11.033 -5.141 -1.605 835 2HB GLU 89 1HB GLU 89 12.090 -3.821 -2.101 836 1HG GLU 89 2HG GLU 89 12.393 -5.590 0.303 837 2HG GLU 89 1HG GLU 89 13.357 -5.297 -1.163 838 QB GLU 89 QB GLU 89 11.561 -4.481 -1.853 839 QG GLU 89 QG GLU 89 12.875 -5.443 -0.430 840 H ILE 90 H ILE 90 10.818 -1.139 -0.119 841 HA ILE 90 HA ILE 90 9.073 0.268 -1.722 842 HB ILE 90 HB ILE 90 11.860 1.244 -1.562 843 1HG1 ILE 90 2HG1 ILE 90 11.467 0.390 0.646 844 2HG1 ILE 90 1HG1 ILE 90 11.343 2.143 0.730 845 1HG2 ILE 90 1HG2 ILE 90 10.104 2.740 -2.658 846 2HG2 ILE 90 3HG2 ILE 90 9.180 2.667 -1.143 847 3HG2 ILE 90 2HG2 ILE 90 10.714 3.461 -1.165 848 1HD1 ILE 90 2HD1 ILE 90 8.940 1.987 0.640 849 2HD1 ILE 90 1HD1 ILE 90 9.058 0.227 0.563 850 3HD1 ILE 90 3HD1 ILE 90 9.589 1.089 2.017 851 MG ILE 90 QG2 ILE 90 9.999 2.956 -1.655 852 MD ILE 90 QD1 ILE 90 9.196 1.101 1.073 853 QG ILE 90 QG1 ILE 90 11.405 1.267 0.688 854 H LEU 91 H LEU 91 12.323 -0.378 -2.558 855 HA LEU 91 HA LEU 91 13.418 -1.047 -4.390 856 1HB LEU 91 2HB LEU 91 10.692 -1.618 -5.531 857 2HB LEU 91 1HB LEU 91 12.184 -1.988 -6.363 858 HG LEU 91 HG LEU 91 11.291 -3.172 -3.743 859 1HD1 LEU 91 3HD1 LEU 91 11.377 -4.329 -6.515 860 2HD1 LEU 91 2HD1 LEU 91 11.017 -5.236 -5.049 861 3HD1 LEU 91 1HD1 LEU 91 9.933 -3.948 -5.581 862 1HD2 LEU 91 3HD2 LEU 91 13.686 -3.787 -5.481 863 2HD2 LEU 91 2HD2 LEU 91 13.713 -3.057 -3.878 864 3HD2 LEU 91 1HD2 LEU 91 13.178 -4.722 -4.072 865 MD1 LEU 91 QD1 LEU 91 10.776 -4.504 -5.715 866 MD2 LEU 91 QD2 LEU 91 13.525 -3.855 -4.477 867 QB LEU 91 QB LEU 91 11.438 -1.803 -5.947 868 QD LEU 91 QQD LEU 91 12.150 -4.180 -5.096 869 H ALA 92 H ALA 92 10.847 1.085 -4.911 870 HA ALA 92 HA ALA 92 12.480 2.622 -6.822 871 1HB ALA 92 3HB ALA 92 11.105 1.170 -8.172 872 2HB ALA 92 1HB ALA 92 10.574 2.852 -8.345 873 3HB ALA 92 2HB ALA 92 9.666 1.734 -7.321 874 MB ALA 92 QB ALA 92 10.448 1.919 -7.946 875 H GLU 93 H GLU 93 12.390 4.684 -6.454 876 HA GLU 93 HA GLU 93 10.014 5.936 -5.291 877 1HB GLU 93 2HB GLU 93 12.862 6.640 -4.448 878 2HB GLU 93 1HB GLU 93 11.334 7.300 -3.879 879 1HG GLU 93 2HG GLU 93 10.775 5.460 -2.715 880 2HG GLU 93 1HG GLU 93 12.097 4.493 -3.407 881 QB GLU 93 QB GLU 93 12.098 6.970 -4.164 882 QG GLU 93 QG GLU 93 11.436 4.976 -3.061 883 H GLU 94 H GLU 94 9.461 7.234 -6.955 884 HA GLU 94 HA GLU 94 11.644 8.598 -8.383 885 1HB GLU 94 2HB GLU 94 10.165 8.586 -10.395 886 2HB GLU 94 1HB GLU 94 10.750 6.996 -9.912 887 1HG GLU 94 2HG GLU 94 8.616 6.458 -8.976 888 2HG GLU 94 1HG GLU 94 8.020 8.098 -9.261 889 QB GLU 94 QB GLU 94 10.458 7.791 -10.154 890 QG GLU 94 QG GLU 94 8.318 7.278 -9.119 891 H SER 95 H SER 95 11.258 10.720 -9.086 892 HA SER 95 HA SER 95 9.343 12.086 -7.462 893 1HB SER 95 2HB SER 95 10.377 14.139 -8.523 894 2HB SER 95 1HB SER 95 11.481 13.120 -7.612 895 HG SER 95 HG SER 95 11.260 12.485 -10.292 896 QB SER 95 QB SER 95 10.929 13.629 -8.068 897 H ILE 96 H ILE 96 7.455 12.657 -8.035 898 HA ILE 96 HA ILE 96 6.678 12.358 -10.884 899 HB ILE 96 HB ILE 96 4.497 11.852 -10.177 900 1HG1 ILE 96 2HG1 ILE 96 5.576 11.312 -7.430 901 2HG1 ILE 96 1HG1 ILE 96 4.913 12.880 -7.851 902 1HG2 ILE 96 1HG2 ILE 96 6.049 10.099 -10.821 903 2HG2 ILE 96 3HG2 ILE 96 6.663 9.989 -9.177 904 3HG2 ILE 96 2HG2 ILE 96 5.007 9.483 -9.530 905 1HD1 ILE 96 1HD1 ILE 96 3.411 10.297 -8.048 906 2HD1 ILE 96 3HD1 ILE 96 3.402 11.393 -6.668 907 3HD1 ILE 96 2HD1 ILE 96 2.798 11.968 -8.201 908 MG ILE 96 QG2 ILE 96 5.906 9.857 -9.843 909 MD ILE 96 QD1 ILE 96 3.204 11.219 -7.639 910 QG ILE 96 QG1 ILE 96 5.245 12.096 -7.641 911 H ALA 97 H ALA 97 4.439 13.345 -11.259 912 HA ALA 97 HA ALA 97 4.427 16.022 -10.107 913 1HB ALA 97 3HB ALA 97 4.871 15.941 -12.540 914 2HB ALA 97 1HB ALA 97 3.346 16.779 -12.124 915 3HB ALA 97 2HB ALA 97 3.302 15.099 -12.674 916 MB ALA 97 QB ALA 97 3.840 15.940 -12.446 917 H LYS 98 H LYS 98 3.206 13.347 -9.840 918 HA LYS 98 HA LYS 98 1.312 12.279 -9.151 919 1HB LYS 98 2HB LYS 98 2.093 13.976 -7.547 920 2HB LYS 98 1HB LYS 98 0.754 14.953 -8.073 921 1HG LYS 98 2HG LYS 98 -0.208 12.365 -7.468 922 2HG LYS 98 1HG LYS 98 1.047 12.826 -6.416 923 1HD LYS 98 2HD LYS 98 -0.773 14.985 -6.598 924 2HD LYS 98 1HD LYS 98 -1.484 13.528 -5.851 925 1HE LYS 98 2HE LYS 98 0.413 13.282 -4.580 926 2HE LYS 98 1HE LYS 98 1.133 14.744 -5.239 927 1HZ LYS 98 1HZ LYS 98 -0.860 16.000 -4.307 928 2HZ LYS 98 3HZ LYS 98 -1.274 14.605 -3.445 929 3HZ LYS 98 2HZ LYS 98 0.157 15.390 -3.120 930 QB LYS 98 QB LYS 98 1.423 14.464 -7.810 931 QD LYS 98 QD LYS 98 -1.129 14.256 -6.225 932 QG LYS 98 QG LYS 98 0.420 12.595 -6.942 933 QE LYS 98 QE LYS 98 0.773 14.013 -4.910 934 QZ LYS 98 QZ LYS 98 -0.659 15.332 -3.624 935 H ARG 99 H ARG 99 -1.112 13.152 -8.717 936 HA ARG 99 HA ARG 99 -3.145 13.872 -9.535 937 1HB ARG 99 2HB ARG 99 -1.541 15.663 -10.758 938 2HB ARG 99 1HB ARG 99 -1.955 14.723 -12.162 939 1HG ARG 99 2HG ARG 99 -3.425 16.571 -12.125 940 2HG ARG 99 1HG ARG 99 -4.381 15.178 -11.600 941 1HD ARG 99 2HD ARG 99 -4.209 15.843 -9.311 942 2HD ARG 99 1HD ARG 99 -3.050 17.115 -9.706 943 HE ARG 99 HE ARG 99 -5.591 17.311 -11.029 944 1HH1 ARG 99 1HH1 ARG 99 -3.750 18.319 -8.146 945 2HH1 ARG 99 2HH1 ARG 99 -4.723 19.681 -7.860 946 1HH2 ARG 99 1HH2 ARG 99 -6.882 19.178 -10.606 947 2HH2 ARG 99 2HH2 ARG 99 -6.572 20.185 -9.272 948 QB ARG 99 QB ARG 99 -1.748 15.193 -11.460 949 QG ARG 99 QG ARG 99 -3.903 15.875 -11.862 950 QD ARG 99 QD ARG 99 -3.629 16.479 -9.508 951 QH1 ARG 99 QH1 ARG 99 -4.237 19.000 -8.003 952 QH2 ARG 99 QH2 ARG 99 -6.727 19.682 -9.939 953 H ARG 100 H ARG 100 -1.575 11.392 -10.040 954 HA ARG 100 HA ARG 100 -2.565 10.388 -12.533 955 1HB ARG 100 2HB ARG 100 -1.105 9.022 -10.273 956 2HB ARG 100 1HB ARG 100 -1.350 8.374 -11.891 957 1HG ARG 100 2HG ARG 100 0.107 9.934 -12.863 958 2HG ARG 100 1HG ARG 100 0.020 10.973 -11.426 959 1HD ARG 100 2HD ARG 100 2.190 9.728 -11.625 960 2HD ARG 100 1HD ARG 100 1.309 9.380 -10.141 961 HE ARG 100 HE ARG 100 0.760 7.539 -12.261 962 1HH1 ARG 100 1HH1 ARG 100 3.018 8.215 -9.582 963 2HH1 ARG 100 2HH1 ARG 100 3.543 6.605 -9.470 964 1HH2 ARG 100 1HH2 ARG 100 1.421 5.368 -12.006 965 2HH2 ARG 100 2HH2 ARG 100 2.612 4.924 -10.882 966 QB ARG 100 QB ARG 100 -1.228 8.698 -11.082 967 QG ARG 100 QG ARG 100 0.063 10.454 -12.145 968 QD ARG 100 QD ARG 100 1.750 9.554 -10.883 969 QH1 ARG 100 QH1 ARG 100 3.280 7.410 -9.526 970 QH2 ARG 100 QH2 ARG 100 2.016 5.146 -11.444 971 H PHE 101 H PHE 101 -3.033 9.521 -9.051 972 HA PHE 101 HA PHE 101 -5.486 8.257 -9.988 973 1HB PHE 101 2HB PHE 101 -3.663 7.422 -7.771 974 2HB PHE 101 1HB PHE 101 -5.354 6.930 -7.741 975 HD1 PHE 101 1HD PHE 101 -5.987 5.011 -8.833 976 HD2 PHE 101 2HD PHE 101 -2.372 6.926 -9.993 977 HE1 PHE 101 1HE PHE 101 -5.499 3.152 -10.368 978 HE2 PHE 101 2HE PHE 101 -1.877 5.074 -11.526 979 HZ PHE 101 HZ PHE 101 -3.442 3.180 -11.719 980 QB PHE 101 QB PHE 101 -4.509 7.176 -7.756 981 QD PHE 101 QD PHE 101 -4.179 5.968 -9.413 982 QE PHE 101 QE PHE 101 -3.688 4.113 -10.947 983 QR PHE 101 QR PHE 101 -3.835 4.669 -10.488 984 H ALA 102 H ALA 102 -4.455 10.660 -8.234 985 HA ALA 102 HA ALA 102 -5.399 12.386 -7.055 986 1HB ALA 102 1HB ALA 102 -6.860 12.489 -9.048 987 2HB ALA 102 2HB ALA 102 -7.641 13.105 -7.592 988 3HB ALA 102 3HB ALA 102 -8.042 11.502 -8.196 989 MB ALA 102 QB ALA 102 -7.514 12.365 -8.279 990 H GLY 103 H GLY 103 -6.550 9.346 -6.251 991 1HA GLY 103 1HA GLY 103 -8.090 9.391 -4.100 992 2HA GLY 103 2HA GLY 103 -6.649 10.190 -3.470 993 QA GLY 103 QA GLY 103 -7.369 9.791 -3.785 994 H TRP 104 H TRP 104 -6.531 8.215 -2.036 995 HA TRP 104 HA TRP 104 -5.063 6.133 -3.417 996 1HB TRP 104 2HB TRP 104 -3.903 6.867 -1.478 997 2HB TRP 104 1HB TRP 104 -5.347 6.865 -0.511 998 HD1 TRP 104 HD TRP 104 -2.490 4.614 -1.597 999 HE1 TRP 104 1HE TRP 104 -2.641 2.459 -0.317 1000 HE3 TRP 104 3HE TRP 104 -7.100 5.288 0.548 1001 HZ2 TRP 104 2HZ TRP 104 -4.555 1.181 1.442 1002 HZ3 TRP 104 3HZ TRP 104 -7.972 3.712 1.900 1003 HH2 TRP 104 HH TRP 104 -6.834 1.696 2.392 1004 QB TRP 104 QB TRP 104 -4.625 6.866 -0.994 1005 H HIS 105 H HIS 105 -5.552 3.957 -3.483 1006 HA HIS 105 HA HIS 105 -8.397 3.423 -3.003 1007 1HB HIS 105 2HB HIS 105 -6.610 2.732 -5.302 1008 2HB HIS 105 1HB HIS 105 -8.252 2.066 -5.119 1009 HD1 HIS 105 1HD HIS 105 -6.312 5.092 -6.144 1010 HD2 HIS 105 2HD HIS 105 -10.293 3.996 -5.653 1011 HE1 HIS 105 1HE HIS 105 -7.646 6.847 -7.326 1012 HE2 HIS 105 2HE HIS 105 -10.003 6.337 -6.689 1013 QB HIS 105 QB HIS 105 -7.431 2.399 -5.211 1014 H MET 106 H MET 106 -8.869 1.195 -2.439 1015 HA MET 106 HA MET 106 -6.542 -0.535 -2.015 1016 1HB MET 106 2HB MET 106 -7.627 0.786 0.094 1017 2HB MET 106 1HB MET 106 -8.692 -0.606 0.045 1018 1HG MET 106 2HG MET 106 -5.689 -0.698 0.311 1019 2HG MET 106 1HG MET 106 -6.825 -0.899 1.627 1020 1HE MET 106 1HE MET 106 -4.453 -2.846 1.114 1021 2HE MET 106 3HE MET 106 -5.634 -3.232 2.371 1022 3HE MET 106 2HE MET 106 -5.161 -4.443 1.164 1023 QB MET 106 QB MET 106 -8.160 0.090 0.069 1024 QG MET 106 QG MET 106 -6.257 -0.799 0.969 1025 ME MET 106 QE MET 106 -5.083 -3.507 1.550 1026 H GLN 107 H GLN 107 -7.058 -2.729 -2.299 1027 HA GLN 107 HA GLN 107 -9.459 -3.201 -3.858 1028 1HB GLN 107 2HB GLN 107 -7.162 -5.009 -3.159 1029 2HB GLN 107 1HB GLN 107 -8.495 -5.460 -4.204 1030 1HG GLN 107 2HG GLN 107 -7.865 -3.758 -5.795 1031 2HG GLN 107 1HG GLN 107 -6.577 -3.209 -4.722 1032 1HE2 GLN 107 1HE2 GLN 107 -6.390 -4.244 -7.424 1033 2HE2 GLN 107 2HE2 GLN 107 -5.366 -5.632 -7.354 1034 QB GLN 107 QB GLN 107 -7.829 -5.235 -3.681 1035 QG GLN 107 QG GLN 107 -7.221 -3.484 -5.259 1036 QE GLN 107 QE2 GLN 107 -5.878 -4.938 -7.389 1037 H LEU 108 H LEU 108 -8.230 -4.044 -0.694 1038 HA LEU 108 HA LEU 108 -9.953 -6.281 -0.283 1039 1HB LEU 108 2HB LEU 108 -8.027 -4.827 1.485 1040 2HB LEU 108 1HB LEU 108 -9.146 -5.979 2.181 1041 HG LEU 108 HG LEU 108 -6.948 -6.981 1.828 1042 1HD1 LEU 108 1HD1 LEU 108 -8.886 -8.422 1.713 1043 2HD1 LEU 108 3HD1 LEU 108 -9.011 -8.140 -0.027 1044 3HD1 LEU 108 2HD1 LEU 108 -7.608 -8.977 0.635 1045 1HD2 LEU 108 1HD2 LEU 108 -6.199 -5.668 -0.118 1046 2HD2 LEU 108 3HD2 LEU 108 -6.062 -7.400 -0.415 1047 3HD2 LEU 108 2HD2 LEU 108 -7.396 -6.483 -1.118 1048 MD1 LEU 108 QD1 LEU 108 -8.502 -8.513 0.774 1049 MD2 LEU 108 QD2 LEU 108 -6.552 -6.517 -0.550 1050 QB LEU 108 QB LEU 108 -8.586 -5.403 1.833 1051 QD LEU 108 QQD LEU 108 -7.527 -7.515 0.112 1052 H SER 109 H SER 109 -10.970 -3.309 -0.541 1053 HA SER 109 HA SER 109 -12.791 -3.226 1.676 1054 1HB SER 109 2HB SER 109 -13.692 -1.300 0.278 1055 2HB SER 109 1HB SER 109 -12.007 -1.139 0.788 1056 HG SER 109 HG SER 109 -12.632 -0.751 -1.519 1057 QB SER 109 QB SER 109 -12.849 -1.219 0.533 1058 H CYS 110 H CYS 110 -12.444 -4.721 -1.320 1059 HA CYS 110 HA CYS 110 -15.253 -5.497 -1.448 1060 1HB CYS 110 2HB CYS 110 -14.765 -3.977 -3.301 1061 2HB CYS 110 1HB CYS 110 -13.311 -4.876 -3.694 1062 HG CYS 110 HG CYS 110 -14.382 -6.363 -5.390 1063 QB CYS 110 QB CYS 110 -14.038 -4.427 -3.498 1064 H SER 111 H SER 111 -15.489 -7.676 -1.478 1065 HA SER 111 HA SER 111 -13.153 -9.303 -1.092 1066 1HB SER 111 2HB SER 111 -16.012 -10.228 -1.302 1067 2HB SER 111 1HB SER 111 -14.671 -11.015 -0.493 1068 HG SER 111 HG SER 111 -16.193 -8.839 0.355 1069 QB SER 111 QB SER 111 -15.342 -10.622 -0.897 1070 H GLU 112 H GLU 112 -12.986 -11.358 -2.290 1071 HA GLU 112 HA GLU 112 -13.490 -10.936 -5.130 1072 1HB GLU 112 2HB GLU 112 -11.642 -12.612 -5.461 1073 2HB GLU 112 1HB GLU 112 -11.143 -11.130 -4.673 1074 1HG GLU 112 2HG GLU 112 -10.005 -12.791 -3.496 1075 2HG GLU 112 1HG GLU 112 -11.387 -12.444 -2.475 1076 QB GLU 112 QB GLU 112 -11.393 -11.871 -5.067 1077 QG GLU 112 QG GLU 112 -10.696 -12.618 -2.985 1078 H ALA 113 H ALA 113 -15.485 -11.782 -3.412 1079 HA ALA 113 HA ALA 113 -15.811 -14.561 -3.139 1080 1HB ALA 113 1HB ALA 113 -18.048 -14.063 -2.394 1081 2HB ALA 113 3HB ALA 113 -16.927 -12.869 -1.742 1082 3HB ALA 113 2HB ALA 113 -17.958 -12.455 -3.108 1083 MB ALA 113 QB ALA 113 -17.645 -13.129 -2.414 1084 H ASP 114 H ASP 114 -16.136 -12.719 -5.892 1085 HA ASP 114 HA ASP 114 -17.967 -14.653 -7.147 1086 1HB ASP 114 2HB ASP 114 -16.935 -11.999 -8.126 1087 2HB ASP 114 1HB ASP 114 -17.871 -13.092 -9.140 1088 QB ASP 114 QB ASP 114 -17.403 -12.545 -8.633 1089 H MET 115 H MET 115 -14.746 -14.127 -6.712 1090 HA MET 115 HA MET 115 -13.997 -15.533 -9.171 1091 1HB MET 115 2HB MET 115 -12.331 -13.942 -7.209 1092 2HB MET 115 1HB MET 115 -11.638 -14.919 -8.492 1093 1HG MET 115 2HG MET 115 -13.470 -12.567 -8.858 1094 2HG MET 115 1HG MET 115 -11.727 -12.574 -9.110 1095 1HE MET 115 2HE MET 115 -13.718 -11.534 -11.299 1096 2HE MET 115 1HE MET 115 -11.974 -11.621 -11.568 1097 3HE MET 115 3HE MET 115 -13.092 -12.295 -12.759 1098 QB MET 115 QB MET 115 -11.984 -14.431 -7.851 1099 QG MET 115 QG MET 115 -12.598 -12.571 -8.984 1100 ME MET 115 QE MET 115 -12.928 -11.817 -11.875 1101 H ARG 116 H ARG 116 -13.001 -15.385 -5.740 1102 HA ARG 116 HA ARG 116 -12.615 -16.916 -4.172 1103 1HB ARG 116 2HB ARG 116 -14.357 -18.576 -5.972 1104 2HB ARG 116 1HB ARG 116 -13.847 -19.095 -4.364 1105 1HG ARG 116 2HG ARG 116 -15.049 -17.343 -3.326 1106 2HG ARG 116 1HG ARG 116 -15.258 -16.509 -4.850 1107 1HD ARG 116 2HD ARG 116 -17.275 -17.691 -3.970 1108 2HD ARG 116 1HD ARG 116 -16.834 -18.044 -5.636 1109 HE ARG 116 HE ARG 116 -15.740 -20.089 -4.613 1110 1HH1 ARG 116 1HH1 ARG 116 -18.574 -18.617 -3.083 1111 2HH1 ARG 116 2HH1 ARG 116 -19.317 -20.101 -2.693 1112 1HH2 ARG 116 1HH2 ARG 116 -16.725 -22.105 -4.056 1113 2HH2 ARG 116 2HH2 ARG 116 -18.245 -22.146 -3.288 1114 QB ARG 116 QB ARG 116 -14.102 -18.836 -5.168 1115 QG ARG 116 QG ARG 116 -15.154 -16.926 -4.088 1116 QD ARG 116 QD ARG 116 -17.055 -17.867 -4.803 1117 QH1 ARG 116 QH1 ARG 116 -18.945 -19.359 -2.888 1118 QH2 ARG 116 QH2 ARG 116 -17.485 -22.126 -3.672 1119 H SER 117 H SER 117 -11.061 -16.888 -6.868 1120 HA SER 117 HA SER 117 -9.984 -19.529 -6.962 1121 1HB SER 117 2HB SER 117 -8.631 -18.351 -8.842 1122 2HB SER 117 1HB SER 117 -10.358 -18.644 -9.066 1123 HG SER 117 HG SER 117 -9.040 -16.296 -9.039 1124 QB SER 117 QB SER 117 -9.494 -18.497 -8.954 1125 H LEU 118 H LEU 118 -9.365 -16.837 -5.077 1126 HA LEU 118 HA LEU 118 -6.486 -17.122 -5.169 1127 1HB LEU 118 2HB LEU 118 -8.170 -15.317 -3.437 1128 2HB LEU 118 1HB LEU 118 -6.423 -15.286 -3.546 1129 HG LEU 118 HG LEU 118 -8.390 -14.550 -5.708 1130 1HD1 LEU 118 3HD1 LEU 118 -8.083 -12.867 -3.956 1131 2HD1 LEU 118 2HD1 LEU 118 -6.343 -12.903 -4.239 1132 3HD1 LEU 118 1HD1 LEU 118 -7.428 -12.334 -5.506 1133 1HD2 LEU 118 3HD2 LEU 118 -5.368 -14.638 -5.844 1134 2HD2 LEU 118 2HD2 LEU 118 -6.485 -15.679 -6.730 1135 3HD2 LEU 118 1HD2 LEU 118 -6.431 -13.955 -7.074 1136 MD1 LEU 118 QD1 LEU 118 -7.285 -12.701 -4.567 1137 MD2 LEU 118 QD2 LEU 118 -6.094 -14.758 -6.549 1138 QB LEU 118 QB LEU 118 -7.296 -15.302 -3.492 1139 QD LEU 118 QQD LEU 118 -6.690 -13.729 -5.558 1140 H GLY 119 H GLY 119 -8.746 -18.941 -3.779 1141 1HA GLY 119 1HA GLY 119 -7.297 -19.299 -1.264 1142 2HA GLY 119 2HA GLY 119 -7.187 -20.611 -2.418 1143 QA GLY 119 QA GLY 119 -7.242 -19.955 -1.841 1144 H LEU 120 H LEU 120 -10.131 -18.805 -2.136 1145 HA LEU 120 HA LEU 120 -11.337 -20.331 -0.096 1146 1HB LEU 120 2HB LEU 120 -12.105 -18.081 -1.050 1147 2HB LEU 120 1HB LEU 120 -12.847 -19.018 -2.342 1148 HG LEU 120 HG LEU 120 -14.114 -20.259 -0.561 1149 1HD1 LEU 120 2HD1 LEU 120 -13.062 -18.036 1.158 1150 2HD1 LEU 120 1HD1 LEU 120 -14.333 -19.174 1.605 1151 3HD1 LEU 120 3HD1 LEU 120 -12.696 -19.750 1.313 1152 1HD2 LEU 120 3HD2 LEU 120 -14.583 -17.290 -0.891 1153 2HD2 LEU 120 2HD2 LEU 120 -15.267 -18.604 -1.856 1154 3HD2 LEU 120 1HD2 LEU 120 -15.748 -18.414 -0.186 1155 MD1 LEU 120 QD1 LEU 120 -13.363 -18.987 1.359 1156 MD2 LEU 120 QD2 LEU 120 -15.199 -18.103 -0.978 1157 QB LEU 120 QB LEU 120 -12.476 -18.549 -1.696 1158 QD LEU 120 QQD LEU 120 -14.281 -18.545 0.191 1159 H ALA 121 H ALA 121 -11.648 -20.486 -3.610 1160 HA ALA 121 HA ALA 121 -12.523 -21.979 -5.033 1161 1HB ALA 121 3HB ALA 121 -10.912 -23.853 -3.320 1162 2HB ALA 121 2HB ALA 121 -11.413 -24.113 -5.005 1163 3HB ALA 121 1HB ALA 121 -10.319 -22.792 -4.578 1164 MB ALA 121 QB ALA 121 -10.881 -23.586 -4.301 1165 H GLU 122 H GLU 122 -12.637 -24.151 -2.927 1166 HA GLU 122 HA GLU 122 -15.146 -25.271 -3.699 1167 1HB GLU 122 2HB GLU 122 -13.443 -26.608 -2.496 1168 2HB GLU 122 1HB GLU 122 -13.851 -25.747 -1.018 1169 1HG GLU 122 2HG GLU 122 -16.219 -26.570 -1.354 1170 2HG GLU 122 1HG GLU 122 -15.569 -27.627 -2.599 1171 QB GLU 122 QB GLU 122 -13.647 -26.178 -1.757 1172 QG GLU 122 QG GLU 122 -15.894 -27.099 -1.976 1173 H SER 123 H SER 123 -14.420 -23.615 -0.587 1174 HA SER 123 HA SER 123 -16.784 -22.120 -0.578 1175 1HB SER 123 2HB SER 123 -18.047 -23.331 1.190 1176 2HB SER 123 1HB SER 123 -17.858 -24.325 -0.250 1177 HG SER 123 HG SER 123 -15.910 -25.153 0.893 1178 QB SER 123 QB SER 123 -17.952 -23.828 0.470 1179 H ARG 124 H ARG 124 -17.197 -21.737 2.030 1180 HA ARG 124 HA ARG 124 -14.575 -20.903 3.090 1181 1HB ARG 124 2HB ARG 124 -15.654 -18.978 4.096 1182 2HB ARG 124 1HB ARG 124 -16.152 -19.017 2.415 1183 1HG ARG 124 2HG ARG 124 -17.862 -20.181 4.596 1184 2HG ARG 124 1HG ARG 124 -17.910 -18.473 4.179 1185 1HD ARG 124 2HD ARG 124 -18.858 -18.884 2.115 1186 2HD ARG 124 1HD ARG 124 -18.282 -20.540 2.015 1187 HE ARG 124 HE ARG 124 -20.034 -20.269 4.188 1188 1HH1 ARG 124 1HH1 ARG 124 -20.241 -20.155 0.633 1189 2HH1 ARG 124 2HH1 ARG 124 -21.753 -20.923 0.570 1190 1HH2 ARG 124 1HH2 ARG 124 -22.122 -21.338 4.065 1191 2HH2 ARG 124 2HH2 ARG 124 -22.823 -21.633 2.543 1192 QB ARG 124 QB ARG 124 -15.903 -18.998 3.256 1193 QG ARG 124 QG ARG 124 -17.886 -19.327 4.388 1194 QD ARG 124 QD ARG 124 -18.570 -19.712 2.065 1195 QH1 ARG 124 QH1 ARG 124 -20.997 -20.539 0.601 1196 QH2 ARG 124 QH2 ARG 124 -22.473 -21.485 3.304 1197 H GLN 125 H GLN 125 -16.471 -23.354 3.381 1198 HA GLN 125 HA GLN 125 -17.525 -24.655 4.870 1199 1HB GLN 125 2HB GLN 125 -15.105 -24.623 5.583 1200 2HB GLN 125 1HB GLN 125 -15.561 -23.387 6.726 1201 1HG GLN 125 2HG GLN 125 -16.492 -26.285 6.707 1202 2HG GLN 125 1HG GLN 125 -15.265 -25.640 7.779 1203 1HE2 GLN 125 1HE2 GLN 125 -18.625 -26.015 7.148 1204 2HE2 GLN 125 2HE2 GLN 125 -19.194 -25.353 8.615 1205 QB GLN 125 QB GLN 125 -15.333 -24.005 6.155 1206 QG GLN 125 QG GLN 125 -15.878 -25.963 7.243 1207 QE GLN 125 QE2 GLN 125 -18.910 -25.684 7.881 No H/Q in entry = 1207 Start of MODEL 17 1 H1 LEU 5 2HT LEU 5 -1.797 41.337 -17.578 2 H2 LEU 5 1HT LEU 5 -2.453 41.501 -19.139 3 H3 LEU 5 3HT LEU 5 -3.447 41.227 -17.800 4 HA LEU 5 HA LEU 5 -3.209 39.215 -19.063 5 1HB LEU 5 2HB LEU 5 -0.952 39.722 -19.955 6 2HB LEU 5 1HB LEU 5 -0.314 39.550 -18.329 7 HG LEU 5 HG LEU 5 -0.940 37.153 -18.366 8 1HD1 LEU 5 1HD1 LEU 5 -1.616 37.685 -21.248 9 2HD1 LEU 5 3HD1 LEU 5 -1.503 36.097 -20.490 10 3HD1 LEU 5 2HD1 LEU 5 -2.744 37.237 -19.969 11 1HD2 LEU 5 3HD2 LEU 5 0.859 38.053 -20.613 12 2HD2 LEU 5 2HD2 LEU 5 1.325 37.830 -18.927 13 3HD2 LEU 5 1HD2 LEU 5 0.840 36.441 -19.896 14 MD1 LEU 5 QD1 LEU 5 -1.954 37.006 -20.569 15 MD2 LEU 5 QD2 LEU 5 1.008 37.441 -19.812 16 QB LEU 5 QB LEU 5 -0.633 39.636 -19.142 17 QD LEU 5 QQD LEU 5 -0.473 37.224 -20.190 18 H GLU 6 H GLU 6 -3.658 37.468 -17.854 19 HA GLU 6 HA GLU 6 -3.520 37.847 -15.028 20 1HB GLU 6 2HB GLU 6 -5.569 36.965 -16.190 21 2HB GLU 6 1HB GLU 6 -4.565 35.541 -16.530 22 1HG GLU 6 2HG GLU 6 -6.186 35.399 -14.671 23 2HG GLU 6 1HG GLU 6 -4.519 34.935 -14.274 24 QB GLU 6 QB GLU 6 -5.067 36.253 -16.360 25 QG GLU 6 QG GLU 6 -5.353 35.167 -14.473 26 H ALA 7 H ALA 7 -2.575 36.410 -13.616 27 HA ALA 7 HA ALA 7 0.001 35.524 -14.531 28 1HB ALA 7 2HB ALA 7 -0.246 36.598 -12.349 29 2HB ALA 7 1HB ALA 7 -1.245 35.246 -11.802 30 3HB ALA 7 3HB ALA 7 0.450 34.983 -12.216 31 MB ALA 7 QB ALA 7 -0.347 35.609 -12.122 32 H ASP 8 H ASP 8 0.656 33.575 -14.958 33 HA ASP 8 HA ASP 8 -1.154 31.459 -15.449 34 1HB ASP 8 2HB ASP 8 0.938 31.727 -16.712 35 2HB ASP 8 1HB ASP 8 1.866 31.431 -15.247 36 QB ASP 8 QB ASP 8 1.402 31.579 -15.979 37 H VAL 9 H VAL 9 -1.766 29.741 -14.187 38 HA VAL 9 HA VAL 9 -1.438 29.943 -11.533 39 HB VAL 9 HB VAL 9 -2.630 27.772 -11.304 40 1HG1 VAL 9 1HG1 VAL 9 -3.849 29.866 -11.476 41 2HG1 VAL 9 3HG1 VAL 9 -3.795 29.769 -13.238 42 3HG1 VAL 9 2HG1 VAL 9 -4.711 28.582 -12.314 43 1HG2 VAL 9 3HG2 VAL 9 -2.457 27.865 -14.288 44 2HG2 VAL 9 2HG2 VAL 9 -1.710 26.675 -13.221 45 3HG2 VAL 9 1HG2 VAL 9 -3.482 26.737 -13.375 46 MG1 VAL 9 QG1 VAL 9 -4.118 29.406 -12.342 47 MG2 VAL 9 QG2 VAL 9 -2.549 27.092 -13.628 48 QG VAL 9 QQG VAL 9 -3.334 28.249 -12.985 49 H THR 10 H THR 10 0.710 28.572 -13.703 50 HA THR 10 HA THR 10 2.450 27.252 -13.722 51 HB THR 10 HB THR 10 3.868 27.093 -11.858 52 HG1 THR 10 1HG THR 10 1.623 27.738 -10.438 53 1HG2 THR 10 2HG2 THR 10 2.743 29.846 -12.282 54 2HG2 THR 10 1HG2 THR 10 4.305 29.523 -11.524 55 3HG2 THR 10 3HG2 THR 10 4.020 29.059 -13.202 56 MG THR 10 QG2 THR 10 3.690 29.476 -12.336 57 H MET 11 H MET 11 3.614 25.250 -12.449 58 HA MET 11 HA MET 11 1.661 23.247 -12.830 59 1HB MET 11 2HB MET 11 4.566 23.122 -11.993 60 2HB MET 11 1HB MET 11 3.555 21.709 -12.232 61 1HG MET 11 2HG MET 11 4.884 22.001 -14.172 62 2HG MET 11 1HG MET 11 3.229 22.458 -14.560 63 1HE MET 11 1HE MET 11 3.932 23.661 -16.760 64 2HE MET 11 3HE MET 11 5.212 24.866 -16.876 65 3HE MET 11 2HE MET 11 5.610 23.190 -16.495 66 QB MET 11 QB MET 11 4.061 22.415 -12.113 67 QG MET 11 QG MET 11 4.056 22.229 -14.366 68 ME MET 11 QE MET 11 4.918 23.906 -16.710 69 H THR 12 H THR 12 0.356 22.471 -11.351 70 HA THR 12 HA THR 12 0.613 23.310 -8.609 71 HB THR 12 HB THR 12 -1.485 22.237 -8.413 72 HG1 THR 12 1HG THR 12 -2.511 21.758 -10.574 73 1HG2 THR 12 3HG2 THR 12 -1.220 24.289 -10.613 74 2HG2 THR 12 2HG2 THR 12 -2.728 23.933 -9.777 75 3HG2 THR 12 1HG2 THR 12 -1.365 24.605 -8.883 76 MG THR 12 QG2 THR 12 -1.771 24.276 -9.757 77 H GLY 13 H GLY 13 1.840 20.784 -10.308 78 1HA GLY 13 1HA GLY 13 1.485 18.461 -9.138 79 2HA GLY 13 2HA GLY 13 2.293 19.344 -7.846 80 QA GLY 13 QA GLY 13 1.889 18.902 -8.492 81 H SER 14 H SER 14 4.437 19.715 -7.983 82 HA SER 14 HA SER 14 5.855 18.370 -10.219 83 1HB SER 14 2HB SER 14 6.699 20.901 -8.836 84 2HB SER 14 1HB SER 14 7.526 20.104 -10.171 85 HG SER 14 HG SER 14 5.534 20.462 -11.375 86 QB SER 14 QB SER 14 7.113 20.503 -9.504 87 H ASP 15 H ASP 15 5.512 18.942 -6.821 88 HA ASP 15 HA ASP 15 8.083 17.914 -6.101 89 1HB ASP 15 2HB ASP 15 7.400 18.832 -3.955 90 2HB ASP 15 1HB ASP 15 7.545 20.117 -5.121 91 QB ASP 15 QB ASP 15 7.472 19.474 -4.538 92 H LEU 16 H LEU 16 6.416 16.202 -7.046 93 HA LEU 16 HA LEU 16 5.583 14.714 -4.703 94 1HB LEU 16 2HB LEU 16 4.416 14.584 -7.454 95 2HB LEU 16 1HB LEU 16 3.945 13.588 -6.089 96 HG LEU 16 HG LEU 16 2.273 15.093 -6.364 97 1HD1 LEU 16 3HD1 LEU 16 2.835 14.969 -4.060 98 2HD1 LEU 16 2HD1 LEU 16 3.954 16.325 -4.240 99 3HD1 LEU 16 1HD1 LEU 16 2.222 16.575 -4.463 100 1HD2 LEU 16 1HD2 LEU 16 4.261 17.279 -6.728 101 2HD2 LEU 16 3HD2 LEU 16 3.188 16.545 -7.927 102 3HD2 LEU 16 2HD2 LEU 16 2.510 17.505 -6.607 103 MD1 LEU 16 QD1 LEU 16 3.004 15.956 -4.254 104 MD2 LEU 16 QD2 LEU 16 3.320 17.110 -7.087 105 QB LEU 16 QB LEU 16 4.180 14.086 -6.771 106 QD LEU 16 QQD LEU 16 3.162 16.533 -5.671 107 H VAL 17 H VAL 17 5.560 12.532 -4.949 108 HA VAL 17 HA VAL 17 7.591 11.561 -6.553 109 HB VAL 17 HB VAL 17 7.799 11.862 -3.598 110 1HG1 VAL 17 1HG1 VAL 17 8.895 9.768 -5.242 111 2HG1 VAL 17 3HG1 VAL 17 9.671 10.189 -3.684 112 3HG1 VAL 17 2HG1 VAL 17 7.955 9.632 -3.686 113 1HG2 VAL 17 1HG2 VAL 17 9.076 13.376 -5.085 114 2HG2 VAL 17 3HG2 VAL 17 10.118 12.417 -4.036 115 3HG2 VAL 17 2HG2 VAL 17 9.929 11.964 -5.722 116 MG1 VAL 17 QG1 VAL 17 8.840 9.863 -4.204 117 MG2 VAL 17 QG2 VAL 17 9.708 12.585 -4.948 118 QG VAL 17 QQG VAL 17 9.274 11.224 -4.576 119 H SER 18 H SER 18 7.352 9.279 -6.601 120 HA SER 18 HA SER 18 5.032 8.059 -5.237 121 1HB SER 18 2HB SER 18 5.991 7.488 -8.051 122 2HB SER 18 1HB SER 18 4.871 6.447 -7.180 123 HG SER 18 HG SER 18 3.739 8.585 -6.892 124 QB SER 18 QB SER 18 5.431 6.968 -7.616 125 H CYS 19 H CYS 19 5.813 6.836 -3.724 126 HA CYS 19 HA CYS 19 8.136 5.180 -4.274 127 1HB CYS 19 2HB CYS 19 6.523 5.583 -1.736 128 2HB CYS 19 1HB CYS 19 7.980 4.601 -1.870 129 HG CYS 19 HG CYS 19 9.717 6.511 -1.604 130 QB CYS 19 QB CYS 19 7.251 5.092 -1.803 131 H CYS 20 H CYS 20 7.753 3.289 -5.166 132 HA CYS 20 HA CYS 20 5.007 2.210 -5.008 133 1HB CYS 20 2HB CYS 20 7.070 1.766 -7.171 134 2HB CYS 20 1HB CYS 20 5.366 1.324 -7.207 135 HG CYS 20 HG CYS 20 6.638 4.490 -7.310 136 QB CYS 20 QB CYS 20 6.218 1.545 -7.189 137 H TYR 21 H TYR 21 5.064 0.542 -3.543 138 HA TYR 21 HA TYR 21 7.651 -0.810 -3.445 139 1HB TYR 21 2HB TYR 21 7.555 -1.001 -1.190 140 2HB TYR 21 1HB TYR 21 7.018 0.642 -1.492 141 HD1 TYR 21 1HD TYR 21 5.774 -2.770 -0.606 142 HD2 TYR 21 2HD TYR 21 5.148 1.428 -0.416 143 HE1 TYR 21 1HE TYR 21 3.991 -3.121 1.021 144 HE2 TYR 21 2HE TYR 21 3.386 1.111 1.191 145 HH TYR 21 HH TYR 21 1.771 -0.807 1.933 146 QB TYR 21 QB TYR 21 7.287 -0.180 -1.341 147 QD TYR 21 QD TYR 21 5.461 -0.671 -0.511 148 QE TYR 21 QE TYR 21 3.689 -1.005 1.106 149 QR TYR 21 QR TYR 21 4.575 -0.838 0.297 150 H ARG 22 H ARG 22 7.574 -2.945 -2.609 151 HA ARG 22 HA ARG 22 5.056 -4.351 -3.141 152 1HB ARG 22 2HB ARG 22 6.246 -6.194 -3.991 153 2HB ARG 22 1HB ARG 22 6.957 -4.784 -4.759 154 1HG ARG 22 2HG ARG 22 8.854 -4.842 -3.334 155 2HG ARG 22 1HG ARG 22 8.116 -6.085 -2.319 156 1HD ARG 22 2HD ARG 22 8.035 -7.494 -4.356 157 2HD ARG 22 1HD ARG 22 9.074 -6.273 -5.120 158 HE ARG 22 HE ARG 22 10.122 -7.171 -2.614 159 1HH1 ARG 22 1HH1 ARG 22 9.889 -8.122 -6.003 160 2HH1 ARG 22 2HH1 ARG 22 11.273 -9.112 -5.971 161 1HH2 ARG 22 1HH2 ARG 22 12.045 -8.360 -2.587 162 2HH2 ARG 22 2HH2 ARG 22 12.576 -9.250 -3.948 163 QB ARG 22 QB ARG 22 6.601 -5.489 -4.375 164 QG ARG 22 QG ARG 22 8.485 -5.464 -2.827 165 QD ARG 22 QD ARG 22 8.554 -6.883 -4.738 166 QH1 ARG 22 QH1 ARG 22 10.581 -8.617 -5.987 167 QH2 ARG 22 QH2 ARG 22 12.311 -8.805 -3.267 168 H SER 23 H SER 23 4.813 -6.191 -1.811 169 HA SER 23 HA SER 23 6.811 -6.682 0.176 170 1HB SER 23 2HB SER 23 3.942 -6.131 0.973 171 2HB SER 23 1HB SER 23 5.179 -6.813 2.034 172 HG SER 23 HG SER 23 5.853 -4.507 0.732 173 QB SER 23 QB SER 23 4.560 -6.472 1.503 174 H LEU 24 H LEU 24 6.686 -8.823 0.884 175 HA LEU 24 HA LEU 24 4.985 -10.464 -0.815 176 1HB LEU 24 2HB LEU 24 7.296 -11.128 0.989 177 2HB LEU 24 1HB LEU 24 6.277 -12.393 0.340 178 HG LEU 24 HG LEU 24 8.315 -12.227 -0.945 179 1HD1 LEU 24 2HD1 LEU 24 6.314 -12.875 -2.115 180 2HD1 LEU 24 1HD1 LEU 24 5.997 -11.189 -2.528 181 3HD1 LEU 24 3HD1 LEU 24 7.425 -12.004 -3.173 182 1HD2 LEU 24 1HD2 LEU 24 8.848 -9.847 -0.532 183 2HD2 LEU 24 3HD2 LEU 24 8.922 -10.263 -2.246 184 3HD2 LEU 24 2HD2 LEU 24 7.526 -9.395 -1.622 185 MD1 LEU 24 QD1 LEU 24 6.579 -12.022 -2.605 186 MD2 LEU 24 QD2 LEU 24 8.432 -9.835 -1.467 187 QB LEU 24 QB LEU 24 6.786 -11.760 0.665 188 QD LEU 24 QQD LEU 24 7.505 -10.929 -2.036 189 H ALA 25 H ALA 25 3.565 -9.046 0.918 190 HA ALA 25 HA ALA 25 2.544 -9.006 3.157 191 1HB ALA 25 1HB ALA 25 1.081 -8.880 1.175 192 2HB ALA 25 3HB ALA 25 0.796 -10.620 1.330 193 3HB ALA 25 2HB ALA 25 0.316 -9.512 2.621 194 MB ALA 25 QB ALA 25 0.731 -9.671 1.709 195 H ALA 26 H ALA 26 2.751 -9.997 5.182 196 HA ALA 26 HA ALA 26 3.656 -12.519 5.283 197 1HB ALA 26 2HB ALA 26 4.192 -10.815 6.886 198 2HB ALA 26 1HB ALA 26 2.504 -10.704 7.389 199 3HB ALA 26 3HB ALA 26 3.418 -12.180 7.705 200 MB ALA 26 QB ALA 26 3.371 -11.233 7.327 201 HA PRO 27 HA PRO 27 -0.255 -14.600 4.805 202 1HB PRO 27 2HB PRO 27 0.682 -17.042 5.527 203 2HB PRO 27 1HB PRO 27 1.033 -16.312 3.950 204 1HG PRO 27 2HG PRO 27 2.669 -16.029 6.469 205 2HG PRO 27 1HG PRO 27 3.237 -16.738 4.904 206 1HD PRO 27 2HD PRO 27 3.772 -14.364 5.573 207 2HD PRO 27 1HD PRO 27 3.041 -14.575 3.961 208 QB PRO 27 QB PRO 27 0.857 -16.677 4.739 209 QG PRO 27 QG PRO 27 2.953 -16.383 5.687 210 QD PRO 27 QD PRO 27 3.406 -14.469 4.767 211 H ASP 28 H ASP 28 1.312 -13.950 7.537 212 HA ASP 28 HA ASP 28 -0.515 -15.473 9.254 213 1HB ASP 28 2HB ASP 28 1.023 -14.981 11.152 214 2HB ASP 28 1HB ASP 28 1.760 -15.914 9.860 215 QB ASP 28 QB ASP 28 1.392 -15.447 10.506 216 H LEU 29 H LEU 29 -0.643 -12.668 7.850 217 HA LEU 29 HA LEU 29 -1.240 -10.976 10.078 218 1HB LEU 29 2HB LEU 29 -1.851 -10.649 7.155 219 2HB LEU 29 1HB LEU 29 -2.141 -9.421 8.371 220 HG LEU 29 HG LEU 29 0.500 -10.488 7.412 221 1HD1 LEU 29 2HD1 LEU 29 -0.775 -8.910 5.995 222 2HD1 LEU 29 1HD1 LEU 29 -0.650 -7.718 7.283 223 3HD1 LEU 29 3HD1 LEU 29 0.820 -8.322 6.497 224 1HD2 LEU 29 3HD2 LEU 29 -0.066 -8.455 9.572 225 2HD2 LEU 29 2HD2 LEU 29 0.669 -10.049 9.795 226 3HD2 LEU 29 1HD2 LEU 29 1.519 -8.807 8.888 227 MD1 LEU 29 QD1 LEU 29 -0.202 -8.317 6.592 228 MD2 LEU 29 QD2 LEU 29 0.707 -9.104 9.418 229 QB LEU 29 QB LEU 29 -1.996 -10.035 7.763 230 QD LEU 29 QQD LEU 29 0.253 -8.710 8.005 231 H THR 30 H THR 30 -3.402 -9.847 10.082 232 HA THR 30 HA THR 30 -5.586 -11.769 9.809 233 HB THR 30 HB THR 30 -6.371 -9.945 11.462 234 HG1 THR 30 1HG THR 30 -4.793 -9.176 12.589 235 1HG2 THR 30 1HG2 THR 30 -5.119 -12.576 11.949 236 2HG2 THR 30 3HG2 THR 30 -6.020 -11.683 13.204 237 3HG2 THR 30 2HG2 THR 30 -6.839 -12.120 11.694 238 MG THR 30 QG2 THR 30 -5.993 -12.127 12.282 239 H LEU 31 H LEU 31 -7.413 -11.148 8.971 240 HA LEU 31 HA LEU 31 -7.544 -9.130 7.016 241 1HB LEU 31 2HB LEU 31 -9.039 -11.144 7.292 242 2HB LEU 31 1HB LEU 31 -9.661 -10.207 8.663 243 HG LEU 31 HG LEU 31 -10.560 -8.515 7.221 244 1HD1 LEU 31 2HD1 LEU 31 -8.906 -8.552 5.465 245 2HD1 LEU 31 1HD1 LEU 31 -9.514 -10.115 4.886 246 3HD1 LEU 31 3HD1 LEU 31 -10.536 -8.673 4.828 247 1HD2 LEU 31 3HD2 LEU 31 -11.944 -10.424 7.715 248 2HD2 LEU 31 2HD2 LEU 31 -12.301 -9.787 6.108 249 3HD2 LEU 31 1HD2 LEU 31 -11.342 -11.261 6.284 250 MD1 LEU 31 QD1 LEU 31 -9.652 -9.113 5.060 251 MD2 LEU 31 QD2 LEU 31 -11.862 -10.490 6.702 252 QB LEU 31 QB LEU 31 -9.350 -10.675 7.978 253 QD LEU 31 QQD LEU 31 -10.757 -9.802 5.881 254 H ARG 32 H ARG 32 -8.674 -9.079 10.395 255 HA ARG 32 HA ARG 32 -9.868 -6.544 10.044 256 1HB ARG 32 2HB ARG 32 -10.478 -7.794 12.012 257 2HB ARG 32 1HB ARG 32 -8.813 -7.787 12.586 258 1HG ARG 32 2HG ARG 32 -10.076 -6.126 13.853 259 2HG ARG 32 1HG ARG 32 -8.925 -5.331 12.759 260 1HD ARG 32 2HD ARG 32 -10.749 -5.035 11.125 261 2HD ARG 32 1HD ARG 32 -11.893 -5.618 12.332 262 HE ARG 32 HE ARG 32 -10.997 -3.713 13.723 263 1HH1 ARG 32 1HH1 ARG 32 -11.317 -3.570 10.185 264 2HH1 ARG 32 2HH1 ARG 32 -11.218 -1.852 10.149 265 1HH2 ARG 32 1HH2 ARG 32 -10.933 -1.349 13.575 266 2HH2 ARG 32 2HH2 ARG 32 -11.004 -0.634 12.008 267 QB ARG 32 QB ARG 32 -9.645 -7.790 12.299 268 QG ARG 32 QG ARG 32 -9.501 -5.729 13.306 269 QD ARG 32 QD ARG 32 -11.321 -5.326 11.729 270 QH1 ARG 32 QH1 ARG 32 -11.268 -2.711 10.167 271 QH2 ARG 32 QH2 ARG 32 -10.968 -0.991 12.791 272 H ASP 33 H ASP 33 -6.625 -7.470 10.652 273 HA ASP 33 HA ASP 33 -5.703 -4.861 11.283 274 1HB ASP 33 2HB ASP 33 -4.219 -7.379 10.489 275 2HB ASP 33 1HB ASP 33 -3.430 -5.902 11.019 276 QB ASP 33 QB ASP 33 -3.824 -6.641 10.754 277 H LEU 34 H LEU 34 -6.204 -6.645 8.243 278 HA LEU 34 HA LEU 34 -4.731 -4.659 6.645 279 1HB LEU 34 2HB LEU 34 -6.916 -6.586 5.805 280 2HB LEU 34 1HB LEU 34 -6.210 -5.425 4.715 281 HG LEU 34 HG LEU 34 -5.304 -7.582 4.259 282 1HD1 LEU 34 3HD1 LEU 34 -3.755 -5.738 4.021 283 2HD1 LEU 34 2HD1 LEU 34 -3.250 -5.935 5.701 284 3HD1 LEU 34 1HD1 LEU 34 -2.922 -7.207 4.531 285 1HD2 LEU 34 1HD2 LEU 34 -5.812 -8.475 6.428 286 2HD2 LEU 34 3HD2 LEU 34 -4.188 -8.931 5.884 287 3HD2 LEU 34 2HD2 LEU 34 -4.399 -7.640 7.095 288 MD1 LEU 34 QD1 LEU 34 -3.309 -6.293 4.751 289 MD2 LEU 34 QD2 LEU 34 -4.800 -8.349 6.469 290 QB LEU 34 QB LEU 34 -6.563 -6.006 5.260 291 QD LEU 34 QQD LEU 34 -4.054 -7.321 5.610 292 H LEU 35 H LEU 35 -7.862 -5.199 7.734 293 HA LEU 35 HA LEU 35 -9.069 -3.035 6.400 294 1HB LEU 35 2HB LEU 35 -9.920 -4.827 8.644 295 2HB LEU 35 1HB LEU 35 -10.914 -3.464 8.176 296 HG LEU 35 HG LEU 35 -11.496 -5.806 7.192 297 1HD1 LEU 35 3HD1 LEU 35 -11.105 -3.440 5.352 298 2HD1 LEU 35 2HD1 LEU 35 -12.192 -4.802 5.066 299 3HD1 LEU 35 1HD1 LEU 35 -12.490 -3.701 6.412 300 1HD2 LEU 35 2HD2 LEU 35 -9.137 -6.288 6.508 301 2HD2 LEU 35 1HD2 LEU 35 -10.291 -6.441 5.146 302 3HD2 LEU 35 3HD2 LEU 35 -9.254 -5.018 5.351 303 MD1 LEU 35 QD1 LEU 35 -11.929 -3.981 5.610 304 MD2 LEU 35 QD2 LEU 35 -9.561 -5.916 5.668 305 QB LEU 35 QB LEU 35 -10.417 -4.145 8.410 306 QD LEU 35 QQD LEU 35 -10.745 -4.948 5.639 307 H ASP 36 H ASP 36 -7.471 -3.346 9.389 308 HA ASP 36 HA ASP 36 -8.055 -0.622 10.217 309 1HB ASP 36 2HB ASP 36 -7.299 -2.266 11.926 310 2HB ASP 36 1HB ASP 36 -5.720 -2.333 11.150 311 QB ASP 36 QB ASP 36 -6.509 -2.299 11.538 312 H ILE 37 H ILE 37 -5.311 -2.187 8.607 313 HA ILE 37 HA ILE 37 -3.624 -0.131 8.147 314 HB ILE 37 HB ILE 37 -4.355 -2.542 6.532 315 1HG1 ILE 37 2HG1 ILE 37 -1.615 -1.825 7.286 316 2HG1 ILE 37 1HG1 ILE 37 -2.582 -2.303 8.620 317 1HG2 ILE 37 3HG2 ILE 37 -2.389 -0.471 5.571 318 2HG2 ILE 37 2HG2 ILE 37 -2.576 -2.087 4.887 319 3HG2 ILE 37 1HG2 ILE 37 -3.901 -0.927 4.786 320 1HD1 ILE 37 2HD1 ILE 37 -3.080 -4.424 7.351 321 2HD1 ILE 37 1HD1 ILE 37 -1.903 -3.889 6.143 322 3HD1 ILE 37 3HD1 ILE 37 -1.418 -4.230 7.810 323 MG ILE 37 QG2 ILE 37 -2.955 -1.162 5.081 324 MD ILE 37 QD1 ILE 37 -2.134 -4.181 7.101 325 QG ILE 37 QG1 ILE 37 -2.098 -2.064 7.953 326 H VAL 38 H VAL 38 -6.299 -1.061 5.996 327 HA VAL 38 HA VAL 38 -6.069 1.062 4.205 328 HB VAL 38 HB VAL 38 -7.529 -0.774 3.554 329 1HG1 VAL 38 3HG1 VAL 38 -8.255 -1.417 5.717 330 2HG1 VAL 38 2HG1 VAL 38 -9.329 -0.025 5.811 331 3HG1 VAL 38 1HG1 VAL 38 -9.613 -1.288 4.600 332 1HG2 VAL 38 1HG2 VAL 38 -8.191 1.380 2.557 333 2HG2 VAL 38 3HG2 VAL 38 -9.578 0.332 2.826 334 3HG2 VAL 38 2HG2 VAL 38 -9.257 1.670 3.922 335 MG1 VAL 38 QG1 VAL 38 -9.066 -0.910 5.376 336 MG2 VAL 38 QG2 VAL 38 -9.009 1.127 3.101 337 QG VAL 38 QQG VAL 38 -9.037 0.109 4.239 338 H GLU 39 H GLU 39 -7.827 1.011 7.253 339 HA GLU 39 HA GLU 39 -9.060 3.511 7.017 340 1HB GLU 39 2HB GLU 39 -8.183 1.978 9.456 341 2HB GLU 39 1HB GLU 39 -9.113 3.462 9.534 342 1HG GLU 39 2HG GLU 39 -10.907 2.359 8.241 343 2HG GLU 39 1HG GLU 39 -9.970 0.867 8.273 344 QB GLU 39 QB GLU 39 -8.648 2.720 9.495 345 QG GLU 39 QG GLU 39 -10.438 1.613 8.257 346 H THR 40 H THR 40 -6.052 2.681 8.772 347 HA THR 40 HA THR 40 -5.451 5.373 9.362 348 HB THR 40 HB THR 40 -4.570 3.546 10.748 349 HG1 THR 40 1HG THR 40 -3.328 5.199 11.091 350 1HG2 THR 40 1HG2 THR 40 -2.784 2.870 8.404 351 2HG2 THR 40 3HG2 THR 40 -2.662 2.173 10.021 352 3HG2 THR 40 2HG2 THR 40 -4.094 1.875 9.032 353 MG THR 40 QG2 THR 40 -3.180 2.306 9.152 354 H SER 41 H SER 41 -4.652 3.348 6.626 355 HA SER 41 HA SER 41 -2.574 4.828 5.514 356 1HB SER 41 2HB SER 41 -3.343 2.524 4.813 357 2HB SER 41 1HB SER 41 -4.717 3.281 4.015 358 HG SER 41 HG SER 41 -3.395 3.442 2.385 359 QB SER 41 QB SER 41 -4.030 2.903 4.414 360 H GLN 42 H GLN 42 -6.042 4.912 4.704 361 HA GLN 42 HA GLN 42 -6.041 7.085 2.934 362 1HB GLN 42 2HB GLN 42 -8.148 6.152 4.835 363 2HB GLN 42 1HB GLN 42 -8.419 7.330 3.563 364 1HG GLN 42 2HG GLN 42 -8.085 5.806 1.894 365 2HG GLN 42 1HG GLN 42 -7.284 4.668 2.978 366 1HE2 GLN 42 1HE2 GLN 42 -9.372 5.022 5.066 367 2HE2 GLN 42 2HE2 GLN 42 -10.685 4.118 4.392 368 QB GLN 42 QB GLN 42 -8.283 6.741 4.199 369 QG GLN 42 QG GLN 42 -7.684 5.237 2.436 370 QE GLN 42 QE2 GLN 42 -10.029 4.570 4.729 371 H ALA 43 H ALA 43 -6.442 6.949 6.388 372 HA ALA 43 HA ALA 43 -7.321 9.586 6.676 373 1HB ALA 43 2HB ALA 43 -7.245 9.155 8.998 374 2HB ALA 43 3HB ALA 43 -6.057 7.848 8.775 375 3HB ALA 43 1HB ALA 43 -7.699 7.663 8.148 376 MB ALA 43 QB ALA 43 -7.000 8.222 8.640 377 H HIS 44 H HIS 44 -4.045 8.244 7.003 378 HA HIS 44 HA HIS 44 -2.999 10.905 7.592 379 1HB HIS 44 2HB HIS 44 -1.899 8.689 8.420 380 2HB HIS 44 1HB HIS 44 -1.478 8.508 6.711 381 HD1 HIS 44 1HD HIS 44 0.979 8.369 8.118 382 HD2 HIS 44 2HD HIS 44 -0.716 12.116 7.482 383 HE1 HIS 44 1HE HIS 44 2.866 10.000 8.250 384 HE2 HIS 44 2HE HIS 44 1.816 12.219 8.197 385 QB HIS 44 QB HIS 44 -1.689 8.598 7.566 386 H ASN 45 H ASN 45 -3.297 8.795 4.792 387 HA ASN 45 HA ASN 45 -1.591 10.402 3.238 388 1HB ASN 45 2HB ASN 45 -3.407 8.132 2.572 389 2HB ASN 45 1HB ASN 45 -2.643 9.076 1.288 390 1HD2 ASN 45 1HD2 ASN 45 -1.464 7.239 0.671 391 2HD2 ASN 45 2HD2 ASN 45 -0.104 6.692 1.595 392 QB ASN 45 QB ASN 45 -3.025 8.604 1.930 393 QD ASN 45 QD2 ASN 45 -0.784 6.966 1.133 394 H ALA 46 H ALA 46 -5.082 10.314 3.593 395 HA ALA 46 HA ALA 46 -5.698 12.170 1.572 396 1HB ALA 46 2HB ALA 46 -7.728 12.637 2.857 397 2HB ALA 46 3HB ALA 46 -7.012 11.848 4.262 398 3HB ALA 46 1HB ALA 46 -7.417 10.895 2.829 399 MB ALA 46 QB ALA 46 -7.385 11.793 3.316 400 H ARG 47 H ARG 47 -4.773 12.507 4.944 401 HA ARG 47 HA ARG 47 -4.930 15.299 5.134 402 1HB ARG 47 2HB ARG 47 -4.685 13.677 7.040 403 2HB ARG 47 1HB ARG 47 -3.024 13.471 6.454 404 1HG ARG 47 2HG ARG 47 -2.454 15.727 6.927 405 2HG ARG 47 1HG ARG 47 -4.107 16.092 7.437 406 1HD ARG 47 2HD ARG 47 -3.914 14.582 9.290 407 2HD ARG 47 1HD ARG 47 -2.322 14.048 8.749 408 HE ARG 47 HE ARG 47 -2.358 16.833 9.134 409 1HH1 ARG 47 1HH1 ARG 47 -2.399 13.844 11.013 410 2HH1 ARG 47 2HH1 ARG 47 -1.530 14.470 12.326 411 1HH2 ARG 47 1HH2 ARG 47 -1.196 17.734 10.950 412 2HH2 ARG 47 2HH2 ARG 47 -0.829 16.745 12.290 413 QB ARG 47 QB ARG 47 -3.855 13.574 6.747 414 QG ARG 47 QG ARG 47 -3.280 15.910 7.182 415 QD ARG 47 QD ARG 47 -3.118 14.315 9.019 416 QH1 ARG 47 QH1 ARG 47 -1.964 14.157 11.670 417 QH2 ARG 47 QH2 ARG 47 -1.012 17.239 11.620 418 H ALA 48 H ALA 48 -2.147 13.165 4.467 419 HA ALA 48 HA ALA 48 -0.613 15.462 4.100 420 1HB ALA 48 2HB ALA 48 0.429 13.507 5.034 421 2HB ALA 48 3HB ALA 48 1.245 14.058 3.565 422 3HB ALA 48 1HB ALA 48 0.208 12.628 3.512 423 MB ALA 48 QB ALA 48 0.628 13.398 4.037 424 H GLN 49 H GLN 49 -2.814 14.119 2.076 425 HA GLN 49 HA GLN 49 -3.521 14.673 -0.024 426 1HB GLN 49 2HB GLN 49 -0.946 16.221 -0.187 427 2HB GLN 49 1HB GLN 49 -2.280 16.372 -1.359 428 1HG GLN 49 2HG GLN 49 -3.497 17.570 0.137 429 2HG GLN 49 1HG GLN 49 -2.754 16.625 1.460 430 1HE2 GLN 49 1HE2 GLN 49 -0.961 17.229 2.351 431 2HE2 GLN 49 2HE2 GLN 49 -0.114 18.680 2.133 432 QB GLN 49 QB GLN 49 -1.613 16.297 -0.773 433 QG GLN 49 QG GLN 49 -3.125 17.098 0.798 434 QE GLN 49 QE2 GLN 49 -0.537 17.954 2.242 435 H LEU 50 H LEU 50 -1.761 12.559 0.744 436 HA LEU 50 HA LEU 50 -0.283 11.747 -1.573 437 1HB LEU 50 2HB LEU 50 -0.785 10.683 1.138 438 2HB LEU 50 1HB LEU 50 -0.299 9.558 -0.111 439 HG LEU 50 HG LEU 50 1.736 10.686 -0.448 440 1HD1 LEU 50 2HD1 LEU 50 1.059 12.990 -0.144 441 2HD1 LEU 50 1HD1 LEU 50 0.845 12.713 1.581 442 3HD1 LEU 50 3HD1 LEU 50 2.455 12.612 0.868 443 1HD2 LEU 50 2HD2 LEU 50 1.581 9.098 1.405 444 2HD2 LEU 50 1HD2 LEU 50 2.822 10.343 1.659 445 3HD2 LEU 50 3HD2 LEU 50 1.275 10.449 2.490 446 MD1 LEU 50 QD1 LEU 50 1.453 12.772 0.768 447 MD2 LEU 50 QD2 LEU 50 1.893 9.963 1.851 448 QB LEU 50 QB LEU 50 -0.542 10.121 0.514 449 QD LEU 50 QQD LEU 50 1.673 11.367 1.310 450 H THR 51 H THR 51 -1.036 10.693 -3.215 451 HA THR 51 HA THR 51 -3.644 9.485 -2.998 452 HB THR 51 HB THR 51 -3.771 9.886 -5.456 453 HG1 THR 51 1HG THR 51 -1.726 10.092 -6.302 454 1HG2 THR 51 2HG2 THR 51 -4.468 11.414 -3.728 455 2HG2 THR 51 1HG2 THR 51 -2.896 12.225 -3.814 456 3HG2 THR 51 3HG2 THR 51 -3.993 12.263 -5.221 457 MG THR 51 QG2 THR 51 -3.786 11.967 -4.254 458 H GLY 52 H GLY 52 -3.940 7.436 -4.243 459 1HA GLY 52 1HA GLY 52 -2.313 5.681 -2.915 460 2HA GLY 52 2HA GLY 52 -1.622 5.826 -4.519 461 QA GLY 52 QA GLY 52 -1.968 5.754 -3.717 462 H ALA 53 H ALA 53 -2.116 3.563 -4.103 463 HA ALA 53 HA ALA 53 -4.665 2.509 -4.078 464 1HB ALA 53 3HB ALA 53 -4.854 3.321 -6.414 465 2HB ALA 53 1HB ALA 53 -4.812 1.557 -6.364 466 3HB ALA 53 2HB ALA 53 -3.372 2.468 -6.830 467 MB ALA 53 QB ALA 53 -4.346 2.448 -6.536 468 H LEU 54 H LEU 54 -4.483 0.072 -4.339 469 HA LEU 54 HA LEU 54 -1.788 -0.854 -4.483 470 1HB LEU 54 2HB LEU 54 -1.634 -1.909 -2.355 471 2HB LEU 54 1HB LEU 54 -2.071 -0.238 -2.107 472 HG LEU 54 HG LEU 54 -4.469 -1.094 -1.718 473 1HD1 LEU 54 2HD1 LEU 54 -2.978 -3.713 -1.438 474 2HD1 LEU 54 1HD1 LEU 54 -4.628 -3.431 -0.892 475 3HD1 LEU 54 3HD1 LEU 54 -4.237 -3.346 -2.611 476 1HD2 LEU 54 1HD2 LEU 54 -2.947 -0.277 0.011 477 2HD2 LEU 54 3HD2 LEU 54 -4.006 -1.557 0.601 478 3HD2 LEU 54 2HD2 LEU 54 -2.324 -1.920 0.208 479 MD1 LEU 54 QD1 LEU 54 -3.947 -3.496 -1.647 480 MD2 LEU 54 QD2 LEU 54 -3.092 -1.252 0.273 481 QB LEU 54 QB LEU 54 -1.852 -1.073 -2.231 482 QD LEU 54 QQD LEU 54 -3.520 -2.374 -0.687 483 H PHE 55 H PHE 55 -1.605 -2.984 -4.825 484 HA PHE 55 HA PHE 55 -4.082 -4.402 -5.377 485 1HB PHE 55 2HB PHE 55 -1.589 -4.300 -7.103 486 2HB PHE 55 1HB PHE 55 -2.898 -5.449 -7.338 487 HD1 PHE 55 1HD PHE 55 -5.027 -4.750 -8.233 488 HD2 PHE 55 2HD PHE 55 -1.877 -1.946 -7.656 489 HE1 PHE 55 1HE PHE 55 -6.224 -3.122 -9.641 490 HE2 PHE 55 2HE PHE 55 -3.068 -0.312 -9.052 491 HZ PHE 55 HZ PHE 55 -5.244 -0.899 -10.048 492 QB PHE 55 QB PHE 55 -2.244 -4.875 -7.221 493 QD PHE 55 QD PHE 55 -3.452 -3.348 -7.945 494 QE PHE 55 QE PHE 55 -4.646 -1.717 -9.346 495 QR PHE 55 QR PHE 55 -4.288 -2.206 -8.926 496 H TYR 56 H TYR 56 -4.181 -5.991 -4.078 497 HA TYR 56 HA TYR 56 -1.727 -7.299 -3.134 498 1HB TYR 56 2HB TYR 56 -3.188 -6.289 -1.375 499 2HB TYR 56 1HB TYR 56 -4.540 -7.247 -1.891 500 HD1 TYR 56 1HD TYR 56 -2.960 -9.940 -2.156 501 HD2 TYR 56 2HD TYR 56 -3.050 -6.942 0.863 502 HE1 TYR 56 1HE TYR 56 -2.347 -11.623 -0.479 503 HE2 TYR 56 2HE TYR 56 -2.415 -8.625 2.548 504 HH TYR 56 HH TYR 56 -1.308 -11.740 1.666 505 QB TYR 56 QB TYR 56 -3.864 -6.768 -1.633 506 QD TYR 56 QD TYR 56 -3.005 -8.441 -0.647 507 QE TYR 56 QE TYR 56 -2.381 -10.124 1.034 508 QR TYR 56 QR TYR 56 -2.693 -9.282 0.194 509 H SER 57 H SER 57 -1.373 -8.942 -4.466 510 HA SER 57 HA SER 57 -3.694 -10.442 -5.437 511 1HB SER 57 2HB SER 57 -1.057 -9.996 -6.839 512 2HB SER 57 1HB SER 57 -2.440 -10.896 -7.473 513 HG SER 57 HG SER 57 -3.239 -8.513 -6.631 514 QB SER 57 QB SER 57 -1.749 -10.446 -7.156 515 H GLN 58 H GLN 58 -3.804 -12.126 -4.173 516 HA GLN 58 HA GLN 58 -3.448 -14.105 -3.271 517 1HB GLN 58 2HB GLN 58 -2.719 -14.785 -5.494 518 2HB GLN 58 1HB GLN 58 -1.088 -14.240 -5.157 519 1HG GLN 58 2HG GLN 58 -0.828 -15.974 -3.487 520 2HG GLN 58 1HG GLN 58 -2.497 -16.483 -3.722 521 1HE2 GLN 58 1HE2 GLN 58 -1.895 -18.517 -4.309 522 2HE2 GLN 58 2HE2 GLN 58 -1.183 -18.904 -5.820 523 QB GLN 58 QB GLN 58 -1.904 -14.513 -5.325 524 QG GLN 58 QG GLN 58 -1.662 -16.228 -3.605 525 QE GLN 58 QE2 GLN 58 -1.539 -18.710 -5.064 526 H GLY 59 H GLY 59 0.009 -13.342 -3.626 527 1HA GLY 59 1HA GLY 59 1.284 -14.044 -1.561 528 2HA GLY 59 2HA GLY 59 0.079 -13.109 -0.694 529 QA GLY 59 QA GLY 59 0.682 -13.576 -1.127 530 H VAL 60 H VAL 60 0.732 -11.593 -3.626 531 HA VAL 60 HA VAL 60 2.940 -10.185 -2.384 532 HB VAL 60 HB VAL 60 3.628 -9.318 -4.513 533 1HG1 VAL 60 2HG1 VAL 60 4.472 -11.496 -3.972 534 2HG1 VAL 60 1HG1 VAL 60 3.076 -12.253 -4.723 535 3HG1 VAL 60 3HG1 VAL 60 4.226 -11.365 -5.712 536 1HG2 VAL 60 2HG2 VAL 60 1.204 -10.677 -5.712 537 2HG2 VAL 60 1HG2 VAL 60 1.474 -8.942 -5.583 538 3HG2 VAL 60 3HG2 VAL 60 2.500 -9.913 -6.637 539 MG1 VAL 60 QG1 VAL 60 3.925 -11.705 -4.802 540 MG2 VAL 60 QG2 VAL 60 1.726 -9.844 -5.977 541 QG VAL 60 QQG VAL 60 2.825 -10.774 -5.390 542 H PHE 61 H PHE 61 2.783 -8.347 -1.621 543 HA PHE 61 HA PHE 61 0.418 -6.662 -1.888 544 1HB PHE 61 2HB PHE 61 2.610 -7.067 -0.132 545 2HB PHE 61 1HB PHE 61 2.589 -5.388 -0.634 546 HD1 PHE 61 1HD PHE 61 2.232 -6.878 2.032 547 HD2 PHE 61 2HD PHE 61 -0.481 -5.086 -0.700 548 HE1 PHE 61 1HE PHE 61 0.748 -6.449 3.859 549 HE2 PHE 61 2HE PHE 61 -2.040 -4.637 1.171 550 HZ PHE 61 HZ PHE 61 -1.390 -5.315 3.463 551 QB PHE 61 QB PHE 61 2.599 -6.228 -0.383 552 QD PHE 61 QD PHE 61 0.876 -5.982 0.666 553 QE PHE 61 QE PHE 61 -0.646 -5.543 2.515 554 QR PHE 61 QR PHE 61 -0.186 -5.673 1.965 555 H PHE 62 H PHE 62 0.447 -5.238 -3.704 556 HA PHE 62 HA PHE 62 2.968 -3.788 -4.016 557 1HB PHE 62 2HB PHE 62 2.352 -5.018 -6.127 558 2HB PHE 62 1HB PHE 62 0.828 -4.121 -6.154 559 HD1 PHE 62 1HD PHE 62 4.478 -3.865 -6.535 560 HD2 PHE 62 2HD PHE 62 0.757 -1.807 -6.853 561 HE1 PHE 62 1HE PHE 62 5.594 -2.026 -7.733 562 HE2 PHE 62 2HE PHE 62 1.875 0.025 -8.053 563 HZ PHE 62 HZ PHE 62 4.292 -0.083 -8.490 564 QB PHE 62 QB PHE 62 1.590 -4.570 -6.140 565 QD PHE 62 QD PHE 62 2.618 -2.836 -6.694 566 QE PHE 62 QE PHE 62 3.735 -1.000 -7.893 567 QR PHE 62 QR PHE 62 3.400 -1.551 -7.533 568 H GLN 63 H GLN 63 2.816 -1.823 -3.267 569 HA GLN 63 HA GLN 63 0.185 -0.495 -3.120 570 1HB GLN 63 2HB GLN 63 0.921 -1.830 -1.009 571 2HB GLN 63 1HB GLN 63 2.164 -0.615 -0.835 572 1HG GLN 63 2HG GLN 63 -0.827 -0.240 -0.609 573 2HG GLN 63 1HG GLN 63 0.361 -0.175 0.669 574 1HE2 GLN 63 1HE2 GLN 63 1.622 1.679 0.891 575 2HE2 GLN 63 2HE2 GLN 63 1.176 3.157 0.096 576 QB GLN 63 QB GLN 63 1.542 -1.223 -0.922 577 QG GLN 63 QG GLN 63 -0.233 -0.207 0.030 578 QE GLN 63 QE2 GLN 63 1.399 2.418 0.493 579 H TRP 64 H TRP 64 0.527 1.653 -3.815 580 HA TRP 64 HA TRP 64 3.136 2.643 -3.256 581 1HB TRP 64 2HB TRP 64 3.703 3.397 -5.385 582 2HB TRP 64 1HB TRP 64 3.141 1.730 -5.644 583 HD1 TRP 64 HD TRP 64 3.244 4.969 -7.083 584 HE1 TRP 64 1HE TRP 64 1.462 5.350 -8.811 585 HE3 TRP 64 3HE TRP 64 0.155 1.101 -5.863 586 HZ2 TRP 64 2HZ TRP 64 -1.002 4.194 -9.584 587 HZ3 TRP 64 3HZ TRP 64 -1.939 0.850 -7.127 588 HH2 TRP 64 HH TRP 64 -2.482 2.346 -8.970 589 QB TRP 64 QB TRP 64 3.422 2.563 -5.514 590 H LEU 65 H LEU 65 3.265 4.959 -3.458 591 HA LEU 65 HA LEU 65 0.693 6.279 -3.264 592 1HB LEU 65 2HB LEU 65 1.385 7.445 -1.218 593 2HB LEU 65 1HB LEU 65 1.156 5.729 -0.987 594 HG LEU 65 HG LEU 65 3.842 6.911 -1.445 595 1HD1 LEU 65 3HD1 LEU 65 2.303 6.567 1.121 596 2HD1 LEU 65 2HD1 LEU 65 4.053 6.845 1.078 597 3HD1 LEU 65 1HD1 LEU 65 2.938 8.065 0.450 598 1HD2 LEU 65 1HD2 LEU 65 2.961 4.378 -0.035 599 2HD2 LEU 65 3HD2 LEU 65 3.733 4.483 -1.618 600 3HD2 LEU 65 2HD2 LEU 65 4.628 4.940 -0.172 601 MD1 LEU 65 QD1 LEU 65 3.098 7.159 0.883 602 MD2 LEU 65 QD2 LEU 65 3.774 4.600 -0.608 603 QB LEU 65 QB LEU 65 1.270 6.587 -1.102 604 QD LEU 65 QQD LEU 65 3.436 5.880 0.137 605 H GLU 66 H GLU 66 0.638 8.264 -3.943 606 HA GLU 66 HA GLU 66 3.055 9.488 -5.095 607 1HB GLU 66 2HB GLU 66 0.180 10.293 -5.443 608 2HB GLU 66 1HB GLU 66 1.541 10.718 -6.446 609 1HG GLU 66 2HG GLU 66 1.613 8.378 -7.254 610 2HG GLU 66 1HG GLU 66 0.157 8.051 -6.300 611 QB GLU 66 QB GLU 66 0.860 10.506 -5.944 612 QG GLU 66 QG GLU 66 0.885 8.215 -6.777 613 H GLY 67 H GLY 67 3.810 11.193 -3.827 614 1HA GLY 67 1HA GLY 67 2.728 12.078 -1.473 615 2HA GLY 67 2HA GLY 67 1.972 13.065 -2.726 616 QA GLY 67 QA GLY 67 2.350 12.572 -2.099 617 H HIS 68 H HIS 68 3.303 14.680 -1.264 618 HA HIS 68 HA HIS 68 5.673 15.433 -2.680 619 1HB HIS 68 2HB HIS 68 4.403 17.191 -1.610 620 2HB HIS 68 1HB HIS 68 4.486 16.437 -0.050 621 HD1 HIS 68 1HD HIS 68 6.623 16.762 1.333 622 HD2 HIS 68 2HD HIS 68 6.460 18.477 -2.343 623 HE1 HIS 68 1HE HIS 68 8.671 18.114 1.310 624 HE2 HIS 68 2HE HIS 68 8.603 19.310 -1.003 625 QB HIS 68 QB HIS 68 4.444 16.814 -0.830 626 HA PRO 69 HA PRO 69 8.564 12.326 -1.428 627 1HB PRO 69 2HB PRO 69 10.513 14.292 -0.602 628 2HB PRO 69 1HB PRO 69 10.533 13.224 -2.004 629 1HG PRO 69 2HG PRO 69 9.641 16.020 -1.792 630 2HG PRO 69 1HG PRO 69 10.123 15.103 -3.232 631 1HD PRO 69 2HD PRO 69 7.602 15.824 -2.824 632 2HD PRO 69 1HD PRO 69 7.978 14.238 -3.529 633 QB PRO 69 QB PRO 69 10.523 13.758 -1.303 634 QG PRO 69 QG PRO 69 9.882 15.562 -2.512 635 QD PRO 69 QD PRO 69 7.790 15.031 -3.176 636 H ALA 70 H ALA 70 8.591 15.004 0.892 637 HA ALA 70 HA ALA 70 9.537 13.256 2.935 638 1HB ALA 70 3HB ALA 70 10.206 15.547 2.958 639 2HB ALA 70 1HB ALA 70 9.316 15.105 4.422 640 3HB ALA 70 2HB ALA 70 8.514 16.051 3.120 641 MB ALA 70 QB ALA 70 9.345 15.567 3.500 642 H ALA 71 H ALA 71 6.462 14.191 1.966 643 HA ALA 71 HA ALA 71 5.141 13.455 4.339 644 1HB ALA 71 3HB ALA 71 4.320 13.460 1.508 645 2HB ALA 71 2HB ALA 71 3.178 13.295 2.852 646 3HB ALA 71 1HB ALA 71 4.098 14.821 2.622 647 MB ALA 71 QB ALA 71 3.865 13.859 2.327 648 H VAL 72 H VAL 72 5.954 12.052 1.303 649 HA VAL 72 HA VAL 72 4.838 9.462 1.490 650 HB VAL 72 HB VAL 72 7.474 9.841 0.158 651 1HG1 VAL 72 2HG1 VAL 72 6.284 7.796 -0.044 652 2HG1 VAL 72 1HG1 VAL 72 4.904 8.722 -0.698 653 3HG1 VAL 72 3HG1 VAL 72 6.418 8.654 -1.622 654 1HG2 VAL 72 3HG2 VAL 72 4.992 11.155 -0.866 655 2HG2 VAL 72 2HG2 VAL 72 6.512 11.918 -0.336 656 3HG2 VAL 72 1HG2 VAL 72 6.492 10.894 -1.778 657 MG1 VAL 72 QG1 VAL 72 5.869 8.391 -0.788 658 MG2 VAL 72 QG2 VAL 72 5.999 11.322 -0.994 659 QG VAL 72 QQG VAL 72 5.934 9.856 -0.891 660 H ALA 73 H ALA 73 7.960 10.825 2.356 661 HA ALA 73 HA ALA 73 9.008 8.400 3.305 662 1HB ALA 73 2HB ALA 73 9.897 11.191 3.875 663 2HB ALA 73 1HB ALA 73 10.749 9.626 4.218 664 3HB ALA 73 3HB ALA 73 10.434 10.110 2.550 665 MB ALA 73 QB ALA 73 10.360 10.309 3.548 666 H GLU 74 H GLU 74 7.467 11.107 4.944 667 HA GLU 74 HA GLU 74 7.717 10.254 7.647 668 1HB GLU 74 2HB GLU 74 6.750 12.461 6.846 669 2HB GLU 74 1HB GLU 74 5.326 11.587 6.315 670 1HG GLU 74 2HG GLU 74 4.898 10.942 8.652 671 2HG GLU 74 1HG GLU 74 6.293 11.903 9.148 672 QB GLU 74 QB GLU 74 6.038 12.024 6.581 673 QG GLU 74 QG GLU 74 5.596 11.422 8.900 674 H VAL 75 H VAL 75 5.494 9.463 5.140 675 HA VAL 75 HA VAL 75 4.074 7.520 6.555 676 HB VAL 75 HB VAL 75 4.412 8.175 3.626 677 1HG1 VAL 75 2HG1 VAL 75 2.686 5.995 4.780 678 2HG1 VAL 75 1HG1 VAL 75 2.685 6.598 3.112 679 3HG1 VAL 75 3HG1 VAL 75 4.111 5.782 3.743 680 1HG2 VAL 75 2HG2 VAL 75 3.071 9.669 4.982 681 2HG2 VAL 75 1HG2 VAL 75 2.077 8.796 3.814 682 3HG2 VAL 75 3HG2 VAL 75 2.075 8.309 5.509 683 MG1 VAL 75 QG1 VAL 75 3.161 6.125 3.878 684 MG2 VAL 75 QG2 VAL 75 2.408 8.925 4.768 685 QG VAL 75 QQG VAL 75 2.784 7.525 4.323 686 H MET 76 H MET 76 6.798 7.149 4.096 687 HA MET 76 HA MET 76 7.207 4.494 4.269 688 1HB MET 76 2HB MET 76 9.309 6.625 4.151 689 2HB MET 76 1HB MET 76 9.616 4.966 3.801 690 1HG MET 76 2HG MET 76 7.556 6.458 2.331 691 2HG MET 76 1HG MET 76 9.238 6.604 1.816 692 1HE MET 76 1HE MET 76 6.087 4.556 2.192 693 2HE MET 76 3HE MET 76 6.377 3.039 1.332 694 3HE MET 76 2HE MET 76 7.118 3.277 2.909 695 QB MET 76 QB MET 76 9.463 5.795 3.976 696 QG MET 76 QG MET 76 8.397 6.531 2.073 697 ME MET 76 QE MET 76 6.528 3.624 2.144 698 H SER 77 H SER 77 8.707 6.864 6.442 699 HA SER 77 HA SER 77 10.112 4.998 7.990 700 1HB SER 77 2HB SER 77 10.411 7.486 8.090 701 2HB SER 77 1HB SER 77 8.862 7.604 8.916 702 HG SER 77 HG SER 77 11.275 7.081 9.903 703 QB SER 77 QB SER 77 9.636 7.545 8.503 704 H HIS 78 H HIS 78 6.837 6.229 8.427 705 HA HIS 78 HA HIS 78 6.273 4.705 10.742 706 1HB HIS 78 2HB HIS 78 4.903 6.621 10.013 707 2HB HIS 78 1HB HIS 78 4.332 5.697 8.633 708 HD1 HIS 78 1HD HIS 78 1.951 5.085 9.063 709 HD2 HIS 78 2HD HIS 78 4.248 4.877 12.526 710 HE1 HIS 78 1HE HIS 78 0.389 4.312 10.860 711 HE2 HIS 78 2HE HIS 78 1.765 4.390 12.979 712 QB HIS 78 QB HIS 78 4.618 6.159 9.323 713 H ILE 79 H ILE 79 6.251 3.833 7.387 714 HA ILE 79 HA ILE 79 4.857 1.244 7.820 715 HB ILE 79 HB ILE 79 6.070 2.219 5.230 716 1HG1 ILE 79 2HG1 ILE 79 3.310 2.790 6.281 717 2HG1 ILE 79 1HG1 ILE 79 4.578 3.924 5.829 718 1HG2 ILE 79 3HG2 ILE 79 5.482 -0.102 5.400 719 2HG2 ILE 79 2HG2 ILE 79 3.826 0.346 5.850 720 3HG2 ILE 79 1HG2 ILE 79 4.444 0.741 4.242 721 1HD1 ILE 79 2HD1 ILE 79 4.410 3.257 3.496 722 2HD1 ILE 79 1HD1 ILE 79 3.156 2.091 3.912 723 3HD1 ILE 79 3HD1 ILE 79 2.848 3.815 4.099 724 MG ILE 79 QG2 ILE 79 4.584 0.328 5.164 725 MD ILE 79 QD1 ILE 79 3.471 3.054 3.836 726 QG ILE 79 QG1 ILE 79 3.944 3.357 6.055 727 H GLN 80 H GLN 80 8.076 2.439 7.244 728 HA GLN 80 HA GLN 80 9.025 -0.146 6.588 729 1HB GLN 80 2HB GLN 80 10.582 2.372 7.182 730 2HB GLN 80 1HB GLN 80 11.304 0.874 6.604 731 1HG GLN 80 2HG GLN 80 9.361 2.673 5.098 732 2HG GLN 80 1HG GLN 80 10.982 2.244 4.595 733 1HE2 GLN 80 1HE2 GLN 80 7.779 1.491 4.758 734 2HE2 GLN 80 2HE2 GLN 80 7.831 0.054 3.786 735 QB GLN 80 QB GLN 80 10.943 1.623 6.893 736 QG GLN 80 QG GLN 80 10.171 2.458 4.847 737 QE GLN 80 QE2 GLN 80 7.805 0.773 4.272 738 H ARG 81 H ARG 81 8.172 1.117 9.418 739 HA ARG 81 HA ARG 81 9.788 -0.627 11.071 740 1HB ARG 81 2HB ARG 81 7.458 1.202 11.509 741 2HB ARG 81 1HB ARG 81 7.778 -0.045 12.696 742 1HG ARG 81 2HG ARG 81 8.728 2.158 13.274 743 2HG ARG 81 1HG ARG 81 9.930 0.877 13.186 744 1HD ARG 81 2HD ARG 81 10.673 1.670 11.053 745 2HD ARG 81 1HD ARG 81 9.359 2.847 10.982 746 HE ARG 81 HE ARG 81 10.696 3.399 13.287 747 1HH1 ARG 81 1HH1 ARG 81 11.732 3.270 9.874 748 2HH1 ARG 81 2HH1 ARG 81 12.844 4.541 10.043 749 1HH2 ARG 81 1HH2 ARG 81 12.157 5.142 13.465 750 2HH2 ARG 81 2HH2 ARG 81 13.127 5.624 12.147 751 QB ARG 81 QB ARG 81 7.618 0.578 12.102 752 QG ARG 81 QG ARG 81 9.329 1.517 13.230 753 QD ARG 81 QD ARG 81 10.016 2.259 11.018 754 QH1 ARG 81 QH1 ARG 81 12.288 3.905 9.959 755 QH2 ARG 81 QH2 ARG 81 12.642 5.383 12.806 756 H ASP 82 H ASP 82 8.154 -1.577 8.760 757 HA ASP 82 HA ASP 82 6.146 -3.070 8.825 758 1HB ASP 82 2HB ASP 82 7.094 -3.508 7.051 759 2HB ASP 82 1HB ASP 82 8.730 -3.775 7.592 760 QB ASP 82 QB ASP 82 7.912 -3.641 7.321 761 H ARG 83 H ARG 83 5.392 -5.028 8.979 762 HA ARG 83 HA ARG 83 5.453 -6.748 11.061 763 1HB ARG 83 2HB ARG 83 3.886 -5.476 12.704 764 2HB ARG 83 1HB ARG 83 5.589 -5.040 12.724 765 1HG ARG 83 2HG ARG 83 5.070 -3.126 11.231 766 2HG ARG 83 1HG ARG 83 3.373 -3.521 11.361 767 1HD ARG 83 2HD ARG 83 5.045 -3.003 13.814 768 2HD ARG 83 1HD ARG 83 4.239 -1.703 12.951 769 HE ARG 83 HE ARG 83 2.143 -2.655 13.532 770 1HH1 ARG 83 1HH1 ARG 83 4.839 -4.163 15.302 771 2HH1 ARG 83 2HH1 ARG 83 3.798 -4.736 16.540 772 1HH2 ARG 83 1HH2 ARG 83 0.873 -3.345 15.187 773 2HH2 ARG 83 2HH2 ARG 83 1.489 -4.272 16.496 774 QB ARG 83 QB ARG 83 4.738 -5.258 12.714 775 QG ARG 83 QG ARG 83 4.221 -3.323 11.296 776 QD ARG 83 QD ARG 83 4.642 -2.353 13.382 777 QH1 ARG 83 QH1 ARG 83 4.318 -4.449 15.921 778 QH2 ARG 83 QH2 ARG 83 1.181 -3.809 15.842 779 H ARG 84 H ARG 84 3.660 -4.360 9.257 780 HA ARG 84 HA ARG 84 1.162 -5.854 9.199 781 1HB ARG 84 2HB ARG 84 1.959 -3.265 7.925 782 2HB ARG 84 1HB ARG 84 0.398 -4.061 7.823 783 1HG ARG 84 2HG ARG 84 1.684 -2.959 10.332 784 2HG ARG 84 1HG ARG 84 0.332 -2.249 9.446 785 1HD ARG 84 2HD ARG 84 -0.847 -4.475 9.821 786 2HD ARG 84 1HD ARG 84 0.419 -4.795 10.999 787 HE ARG 84 HE ARG 84 -0.812 -2.278 11.484 788 1HH1 ARG 84 1HH1 ARG 84 -0.999 -5.701 12.096 789 2HH1 ARG 84 2HH1 ARG 84 -2.359 -5.592 13.114 790 1HH2 ARG 84 1HH2 ARG 84 -2.545 -2.061 12.887 791 2HH2 ARG 84 2HH2 ARG 84 -3.251 -3.412 13.673 792 QB ARG 84 QB ARG 84 1.178 -3.663 7.874 793 QG ARG 84 QG ARG 84 1.008 -2.604 9.889 794 QD ARG 84 QD ARG 84 -0.214 -4.635 10.410 795 QH1 ARG 84 QH1 ARG 84 -1.679 -5.647 12.605 796 QH2 ARG 84 QH2 ARG 84 -2.898 -2.737 13.280 797 H HIS 85 H HIS 85 3.804 -6.581 7.594 798 HA HIS 85 HA HIS 85 2.518 -7.557 5.408 799 1HB HIS 85 2HB HIS 85 4.301 -6.292 3.796 800 2HB HIS 85 1HB HIS 85 2.652 -5.755 3.992 801 HD1 HIS 85 1HD HIS 85 3.226 -3.347 3.347 802 HD2 HIS 85 2HD HIS 85 5.426 -4.648 6.621 803 HE1 HIS 85 1HE HIS 85 4.439 -1.397 4.279 804 HE2 HIS 85 2HE HIS 85 5.431 -2.182 6.396 805 QB HIS 85 QB HIS 85 3.476 -6.024 3.894 806 H SER 86 H SER 86 4.861 -7.997 3.841 807 HA SER 86 HA SER 86 6.009 -9.658 5.920 808 1HB SER 86 2HB SER 86 4.723 -10.414 3.879 809 2HB SER 86 1HB SER 86 6.235 -10.219 3.056 810 HG SER 86 HG SER 86 6.903 -11.510 5.229 811 QB SER 86 QB SER 86 5.479 -10.317 3.468 812 H ASN 87 H ASN 87 6.927 -6.970 4.411 813 HA ASN 87 HA ASN 87 9.705 -7.397 4.638 814 1HB ASN 87 2HB ASN 87 8.808 -8.760 2.440 815 2HB ASN 87 1HB ASN 87 9.380 -7.252 1.738 816 1HD2 ASN 87 1HD2 ASN 87 10.217 -10.221 3.192 817 2HD2 ASN 87 2HD2 ASN 87 11.926 -10.021 3.079 818 QB ASN 87 QB ASN 87 9.094 -8.006 2.089 819 QD ASN 87 QD2 ASN 87 11.071 -10.121 3.136 820 H VAL 88 H VAL 88 7.549 -5.879 2.761 821 HA VAL 88 HA VAL 88 7.568 -4.154 1.455 822 HB VAL 88 HB VAL 88 6.459 -3.500 3.261 823 1HG1 VAL 88 2HG1 VAL 88 8.076 -3.671 4.864 824 2HG1 VAL 88 1HG1 VAL 88 8.876 -2.128 4.340 825 3HG1 VAL 88 3HG1 VAL 88 7.182 -2.089 4.957 826 1HG2 VAL 88 3HG2 VAL 88 6.634 -1.921 1.459 827 2HG2 VAL 88 2HG2 VAL 88 6.407 -1.066 2.972 828 3HG2 VAL 88 1HG2 VAL 88 8.015 -1.163 2.217 829 MG1 VAL 88 QG1 VAL 88 8.045 -2.629 4.720 830 MG2 VAL 88 QG2 VAL 88 7.019 -1.383 2.216 831 QG VAL 88 QQG VAL 88 7.532 -2.006 3.468 832 H GLU 89 H GLU 89 8.792 -4.282 0.054 833 HA GLU 89 HA GLU 89 11.339 -2.893 0.264 834 1HB GLU 89 2HB GLU 89 10.379 -4.839 -1.807 835 2HB GLU 89 1HB GLU 89 12.023 -4.243 -1.582 836 1HG GLU 89 2HG GLU 89 12.235 -5.363 0.488 837 2HG GLU 89 1HG GLU 89 10.492 -5.677 0.411 838 QB GLU 89 QB GLU 89 11.201 -4.541 -1.695 839 QG GLU 89 QG GLU 89 11.363 -5.520 0.449 840 H ILE 90 H ILE 90 10.324 -0.943 0.071 841 HA ILE 90 HA ILE 90 8.793 0.244 -1.900 842 HB ILE 90 HB ILE 90 11.444 1.460 -1.316 843 1HG1 ILE 90 2HG1 ILE 90 10.911 0.569 0.849 844 2HG1 ILE 90 1HG1 ILE 90 10.653 2.304 0.880 845 1HG2 ILE 90 1HG2 ILE 90 9.744 2.792 -2.610 846 2HG2 ILE 90 3HG2 ILE 90 8.636 2.610 -1.238 847 3HG2 ILE 90 2HG2 ILE 90 10.082 3.540 -1.045 848 1HD1 ILE 90 3HD1 ILE 90 8.535 0.228 0.558 849 2HD1 ILE 90 2HD1 ILE 90 8.884 1.128 2.044 850 3HD1 ILE 90 1HD1 ILE 90 8.282 1.972 0.603 851 MG ILE 90 QG2 ILE 90 9.487 2.981 -1.631 852 MD ILE 90 QD1 ILE 90 8.567 1.110 1.069 853 QG ILE 90 QG1 ILE 90 10.782 1.437 0.865 854 H LEU 91 H LEU 91 12.166 0.220 -2.271 855 HA LEU 91 HA LEU 91 13.568 -0.476 -3.897 856 1HB LEU 91 2HB LEU 91 11.159 -1.830 -5.093 857 2HB LEU 91 1HB LEU 91 12.782 -2.002 -5.714 858 HG LEU 91 HG LEU 91 11.844 -2.945 -2.977 859 1HD1 LEU 91 3HD1 LEU 91 12.478 -4.432 -5.509 860 2HD1 LEU 91 2HD1 LEU 91 12.152 -5.170 -3.937 861 3HD1 LEU 91 1HD1 LEU 91 10.893 -4.250 -4.763 862 1HD2 LEU 91 3HD2 LEU 91 14.470 -3.306 -4.414 863 2HD2 LEU 91 2HD2 LEU 91 14.208 -2.295 -2.985 864 3HD2 LEU 91 1HD2 LEU 91 14.016 -4.043 -2.880 865 MD1 LEU 91 QD1 LEU 91 11.841 -4.617 -4.736 866 MD2 LEU 91 QD2 LEU 91 14.231 -3.215 -3.426 867 QB LEU 91 QB LEU 91 11.970 -1.916 -5.403 868 QD LEU 91 QQD LEU 91 13.036 -3.916 -4.081 869 H ALA 92 H ALA 92 10.612 1.037 -4.811 870 HA ALA 92 HA ALA 92 12.025 2.429 -7.010 871 1HB ALA 92 1HB ALA 92 10.522 0.818 -7.999 872 2HB ALA 92 2HB ALA 92 9.873 2.462 -8.233 873 3HB ALA 92 3HB ALA 92 9.215 1.412 -6.976 874 MB ALA 92 QB ALA 92 9.870 1.564 -7.736 875 H GLU 93 H GLU 93 12.146 4.515 -6.511 876 HA GLU 93 HA GLU 93 9.760 5.832 -5.517 877 1HB GLU 93 2HB GLU 93 12.565 6.398 -4.413 878 2HB GLU 93 1HB GLU 93 11.052 7.207 -4.004 879 1HG GLU 93 2HG GLU 93 10.164 5.386 -3.003 880 2HG GLU 93 1HG GLU 93 11.507 4.343 -3.486 881 QB GLU 93 QB GLU 93 11.809 6.803 -4.208 882 QG GLU 93 QG GLU 93 10.835 4.864 -3.244 883 H GLU 94 H GLU 94 9.252 7.121 -7.084 884 HA GLU 94 HA GLU 94 11.399 8.357 -8.671 885 1HB GLU 94 2HB GLU 94 9.721 8.382 -10.556 886 2HB GLU 94 1HB GLU 94 10.356 6.806 -10.103 887 1HG GLU 94 2HG GLU 94 8.321 6.250 -8.979 888 2HG GLU 94 1HG GLU 94 7.681 7.889 -9.216 889 QB GLU 94 QB GLU 94 10.038 7.594 -10.330 890 QG GLU 94 QG GLU 94 8.001 7.069 -9.098 891 H SER 95 H SER 95 11.197 10.524 -9.286 892 HA SER 95 HA SER 95 9.446 12.113 -7.667 893 1HB SER 95 2HB SER 95 10.574 13.998 -8.959 894 2HB SER 95 1HB SER 95 11.666 12.967 -8.035 895 HG SER 95 HG SER 95 11.081 12.667 -10.795 896 QB SER 95 QB SER 95 11.120 13.482 -8.497 897 H ILE 96 H ILE 96 7.492 12.518 -8.175 898 HA ILE 96 HA ILE 96 6.639 12.298 -11.014 899 HB ILE 96 HB ILE 96 4.507 11.688 -10.277 900 1HG1 ILE 96 2HG1 ILE 96 5.641 11.232 -7.550 901 2HG1 ILE 96 1HG1 ILE 96 4.921 12.770 -7.971 902 1HG2 ILE 96 1HG2 ILE 96 6.164 10.011 -10.883 903 2HG2 ILE 96 3HG2 ILE 96 6.760 9.969 -9.223 904 3HG2 ILE 96 2HG2 ILE 96 5.139 9.370 -9.592 905 1HD1 ILE 96 3HD1 ILE 96 3.540 10.129 -8.102 906 2HD1 ILE 96 2HD1 ILE 96 3.478 11.280 -6.758 907 3HD1 ILE 96 1HD1 ILE 96 2.850 11.735 -8.341 908 MG ILE 96 QG2 ILE 96 6.021 9.783 -9.899 909 MD ILE 96 QD1 ILE 96 3.289 11.048 -7.734 910 QG ILE 96 QG1 ILE 96 5.281 12.001 -7.760 911 H ALA 97 H ALA 97 4.466 13.248 -11.432 912 HA ALA 97 HA ALA 97 4.338 15.922 -10.292 913 1HB ALA 97 1HB ALA 97 4.703 15.838 -12.730 914 2HB ALA 97 2HB ALA 97 3.122 16.562 -12.289 915 3HB ALA 97 3HB ALA 97 3.210 14.884 -12.834 916 MB ALA 97 QB ALA 97 3.678 15.761 -12.617 917 H LYS 98 H LYS 98 3.191 13.187 -10.007 918 HA LYS 98 HA LYS 98 1.336 12.072 -9.228 919 1HB LYS 98 2HB LYS 98 2.219 13.778 -7.659 920 2HB LYS 98 1HB LYS 98 0.828 14.725 -8.116 921 1HG LYS 98 2HG LYS 98 0.175 12.044 -7.302 922 2HG LYS 98 1HG LYS 98 1.161 12.940 -6.185 923 1HD LYS 98 2HD LYS 98 -0.915 14.526 -7.206 924 2HD LYS 98 1HD LYS 98 -1.550 13.144 -6.232 925 1HE LYS 98 2HE LYS 98 0.124 13.712 -4.674 926 2HE LYS 98 1HE LYS 98 0.490 15.191 -5.578 927 1HZ LYS 98 1HZ LYS 98 -1.907 15.880 -5.232 928 2HZ LYS 98 3HZ LYS 98 -2.099 14.583 -4.153 929 3HZ LYS 98 2HZ LYS 98 -1.034 15.833 -3.801 930 QB LYS 98 QB LYS 98 1.523 14.252 -7.887 931 QD LYS 98 QD LYS 98 -1.233 13.835 -6.719 932 QG LYS 98 QG LYS 98 0.668 12.492 -6.743 933 QE LYS 98 QE LYS 98 0.307 14.451 -5.126 934 QZ LYS 98 QZ LYS 98 -1.680 15.432 -4.395 935 H ARG 99 H ARG 99 -1.085 12.833 -8.661 936 HA ARG 99 HA ARG 99 -3.112 13.556 -9.301 937 1HB ARG 99 2HB ARG 99 -1.899 15.585 -10.248 938 2HB ARG 99 1HB ARG 99 -1.819 14.762 -11.776 939 1HG ARG 99 2HG ARG 99 -3.622 16.356 -11.821 940 2HG ARG 99 1HG ARG 99 -4.302 14.724 -11.844 941 1HD ARG 99 2HD ARG 99 -4.681 14.882 -9.411 942 2HD ARG 99 1HD ARG 99 -4.060 16.532 -9.442 943 HE ARG 99 HE ARG 99 -6.244 15.983 -11.228 944 1HH1 ARG 99 1HH1 ARG 99 -5.301 17.223 -8.028 945 2HH1 ARG 99 2HH1 ARG 99 -6.803 18.013 -7.772 946 1HH2 ARG 99 1HH2 ARG 99 -8.243 17.065 -10.835 947 2HH2 ARG 99 2HH2 ARG 99 -8.479 17.945 -9.381 948 QB ARG 99 QB ARG 99 -1.859 15.173 -11.012 949 QG ARG 99 QG ARG 99 -3.962 15.540 -11.833 950 QD ARG 99 QD ARG 99 -4.370 15.707 -9.427 951 QH1 ARG 99 QH1 ARG 99 -6.052 17.618 -7.900 952 QH2 ARG 99 QH2 ARG 99 -8.361 17.505 -10.108 953 H ARG 100 H ARG 100 -1.896 11.034 -9.914 954 HA ARG 100 HA ARG 100 -3.215 10.278 -12.379 955 1HB ARG 100 2HB ARG 100 -1.758 8.607 -10.370 956 2HB ARG 100 1HB ARG 100 -2.258 8.108 -11.975 957 1HG ARG 100 2HG ARG 100 -0.713 9.638 -12.982 958 2HG ARG 100 1HG ARG 100 -0.340 10.301 -11.364 959 1HD ARG 100 2HD ARG 100 0.455 8.094 -10.661 960 2HD ARG 100 1HD ARG 100 0.060 7.429 -12.229 961 HE ARG 100 HE ARG 100 1.846 8.787 -13.136 962 1HH1 ARG 100 1HH1 ARG 100 1.791 8.831 -9.659 963 2HH1 ARG 100 2HH1 ARG 100 3.427 8.445 -9.382 964 1HH2 ARG 100 1HH2 ARG 100 4.191 8.317 -12.908 965 2HH2 ARG 100 2HH2 ARG 100 4.883 8.137 -11.377 966 QB ARG 100 QB ARG 100 -2.008 8.358 -11.172 967 QG ARG 100 QG ARG 100 -0.527 9.970 -12.173 968 QD ARG 100 QD ARG 100 0.257 7.762 -11.445 969 QH1 ARG 100 QH1 ARG 100 2.609 8.638 -9.521 970 QH2 ARG 100 QH2 ARG 100 4.537 8.227 -12.142 971 H PHE 101 H PHE 101 -3.280 9.262 -8.948 972 HA PHE 101 HA PHE 101 -5.912 8.187 -9.555 973 1HB PHE 101 2HB PHE 101 -3.940 7.358 -7.464 974 2HB PHE 101 1HB PHE 101 -5.640 6.924 -7.298 975 HD1 PHE 101 1HD PHE 101 -6.496 5.085 -8.422 976 HD2 PHE 101 2HD PHE 101 -2.747 6.689 -9.621 977 HE1 PHE 101 1HE PHE 101 -6.182 3.190 -9.952 978 HE2 PHE 101 2HE PHE 101 -2.418 4.790 -11.144 979 HZ PHE 101 HZ PHE 101 -4.139 3.036 -11.312 980 QB PHE 101 QB PHE 101 -4.790 7.141 -7.381 981 QD PHE 101 QD PHE 101 -4.622 5.887 -9.021 982 QE PHE 101 QE PHE 101 -4.300 3.990 -10.548 983 QR PHE 101 QR PHE 101 -4.397 4.558 -10.090 984 H ALA 102 H ALA 102 -4.692 10.673 -8.074 985 HA ALA 102 HA ALA 102 -5.513 12.472 -6.891 986 1HB ALA 102 3HB ALA 102 -7.196 12.408 -8.730 987 2HB ALA 102 2HB ALA 102 -8.276 11.540 -7.641 988 3HB ALA 102 1HB ALA 102 -7.770 13.181 -7.252 989 MB ALA 102 QB ALA 102 -7.747 12.376 -7.875 990 H GLY 103 H GLY 103 -6.586 9.492 -5.814 991 1HA GLY 103 1HA GLY 103 -7.874 9.597 -3.492 992 2HA GLY 103 2HA GLY 103 -6.355 10.396 -3.045 993 QA GLY 103 QA GLY 103 -7.114 9.996 -3.268 994 H TRP 104 H TRP 104 -6.274 8.295 -1.592 995 HA TRP 104 HA TRP 104 -4.847 6.272 -3.099 996 1HB TRP 104 2HB TRP 104 -3.725 6.991 -1.045 997 2HB TRP 104 1HB TRP 104 -5.181 6.739 -0.117 998 HD1 TRP 104 HD TRP 104 -2.057 4.887 -1.270 999 HE1 TRP 104 1HE TRP 104 -2.121 2.535 -0.322 1000 HE3 TRP 104 3HE TRP 104 -6.826 4.877 0.524 1001 HZ2 TRP 104 2HZ TRP 104 -4.038 0.893 1.103 1002 HZ3 TRP 104 3HZ TRP 104 -7.660 3.150 1.578 1003 HH2 TRP 104 HH TRP 104 -6.404 1.102 1.921 1004 QB TRP 104 QB TRP 104 -4.453 6.865 -0.581 1005 H HIS 105 H HIS 105 -5.450 4.050 -3.224 1006 HA HIS 105 HA HIS 105 -8.306 3.578 -2.672 1007 1HB HIS 105 2HB HIS 105 -6.676 3.019 -5.130 1008 2HB HIS 105 1HB HIS 105 -8.301 2.368 -4.891 1009 HD1 HIS 105 1HD HIS 105 -6.400 5.512 -5.621 1010 HD2 HIS 105 2HD HIS 105 -10.350 4.251 -5.428 1011 HE1 HIS 105 1HE HIS 105 -7.766 7.321 -6.713 1012 HE2 HIS 105 2HE HIS 105 -10.132 6.631 -6.316 1013 QB HIS 105 QB HIS 105 -7.489 2.693 -5.010 1014 H MET 106 H MET 106 -8.783 1.289 -2.363 1015 HA MET 106 HA MET 106 -6.414 -0.422 -2.312 1016 1HB MET 106 2HB MET 106 -6.962 0.183 0.038 1017 2HB MET 106 1HB MET 106 -8.560 -0.531 -0.176 1018 1HG MET 106 2HG MET 106 -7.537 -2.705 -0.611 1019 2HG MET 106 1HG MET 106 -5.944 -1.989 -0.437 1020 1HE MET 106 1HE MET 106 -6.615 -4.598 1.104 1021 2HE MET 106 3HE MET 106 -5.099 -3.746 1.392 1022 3HE MET 106 2HE MET 106 -6.116 -4.216 2.749 1023 QB MET 106 QB MET 106 -7.761 -0.174 -0.069 1024 QG MET 106 QG MET 106 -6.741 -2.347 -0.524 1025 ME MET 106 QE MET 106 -5.943 -4.187 1.749 1026 H GLN 107 H GLN 107 -6.619 -2.153 -3.483 1027 HA GLN 107 HA GLN 107 -8.878 -2.817 -4.966 1028 1HB GLN 107 2HB GLN 107 -6.591 -3.458 -5.539 1029 2HB GLN 107 1HB GLN 107 -6.541 -4.539 -4.164 1030 1HG GLN 107 2HG GLN 107 -8.404 -5.829 -5.199 1031 2HG GLN 107 1HG GLN 107 -8.247 -4.801 -6.624 1032 1HE2 GLN 107 1HE2 GLN 107 -7.640 -6.489 -7.935 1033 2HE2 GLN 107 2HE2 GLN 107 -6.113 -7.263 -7.816 1034 QB GLN 107 QB GLN 107 -6.566 -3.999 -4.851 1035 QG GLN 107 QG GLN 107 -8.326 -5.315 -5.912 1036 QE GLN 107 QE2 GLN 107 -6.877 -6.876 -7.876 1037 H LEU 108 H LEU 108 -7.558 -4.426 -2.067 1038 HA LEU 108 HA LEU 108 -9.841 -6.193 -2.028 1039 1HB LEU 108 2HB LEU 108 -7.400 -6.143 -0.279 1040 2HB LEU 108 1HB LEU 108 -8.695 -7.312 -0.135 1041 HG LEU 108 HG LEU 108 -6.741 -7.002 -2.409 1042 1HD1 LEU 108 3HD1 LEU 108 -5.931 -8.201 -0.455 1043 2HD1 LEU 108 2HD1 LEU 108 -7.323 -9.281 -0.536 1044 3HD1 LEU 108 1HD1 LEU 108 -6.137 -9.286 -1.831 1045 1HD2 LEU 108 1HD2 LEU 108 -9.164 -8.810 -2.254 1046 2HD2 LEU 108 3HD2 LEU 108 -8.927 -7.474 -3.387 1047 3HD2 LEU 108 2HD2 LEU 108 -7.899 -8.898 -3.479 1048 MD1 LEU 108 QD1 LEU 108 -6.464 -8.923 -0.940 1049 MD2 LEU 108 QD2 LEU 108 -8.663 -8.394 -3.040 1050 QB LEU 108 QB LEU 108 -8.048 -6.728 -0.207 1051 QD LEU 108 QQD LEU 108 -7.563 -8.658 -1.990 1052 H SER 109 H SER 109 -10.388 -3.411 -1.408 1053 HA SER 109 HA SER 109 -11.108 -3.363 1.357 1054 1HB SER 109 2HB SER 109 -12.317 -1.887 -1.002 1055 2HB SER 109 1HB SER 109 -12.588 -1.488 0.692 1056 HG SER 109 HG SER 109 -10.218 -1.271 0.776 1057 QB SER 109 QB SER 109 -12.452 -1.688 -0.155 1058 H CYS 110 H CYS 110 -12.438 -4.494 -1.632 1059 HA CYS 110 HA CYS 110 -14.753 -5.619 -0.268 1060 1HB CYS 110 2HB CYS 110 -15.220 -4.152 -2.240 1061 2HB CYS 110 1HB CYS 110 -14.231 -5.212 -3.224 1062 HG CYS 110 HG CYS 110 -16.427 -6.264 -4.059 1063 QB CYS 110 QB CYS 110 -14.725 -4.682 -2.732 1064 H SER 111 H SER 111 -14.192 -7.581 0.436 1065 HA SER 111 HA SER 111 -12.251 -9.187 -0.926 1066 1HB SER 111 2HB SER 111 -12.847 -10.803 0.944 1067 2HB SER 111 1HB SER 111 -12.241 -9.237 1.482 1068 HG SER 111 HG SER 111 -14.217 -8.686 2.159 1069 QB SER 111 QB SER 111 -12.544 -10.020 1.213 1070 H GLU 112 H GLU 112 -12.925 -11.599 -1.378 1071 HA GLU 112 HA GLU 112 -15.167 -11.339 -3.095 1072 1HB GLU 112 2HB GLU 112 -14.666 -13.774 -3.802 1073 2HB GLU 112 1HB GLU 112 -13.529 -12.520 -4.231 1074 1HG GLU 112 2HG GLU 112 -12.408 -14.583 -3.551 1075 2HG GLU 112 1HG GLU 112 -12.020 -13.260 -2.466 1076 QB GLU 112 QB GLU 112 -14.098 -13.147 -4.016 1077 QG GLU 112 QG GLU 112 -12.214 -13.921 -3.009 1078 H ALA 113 H ALA 113 -14.570 -13.430 -0.309 1079 HA ALA 113 HA ALA 113 -15.951 -14.494 1.129 1080 1HB ALA 113 3HB ALA 113 -18.073 -13.417 1.704 1081 2HB ALA 113 2HB ALA 113 -16.797 -12.213 1.533 1082 3HB ALA 113 1HB ALA 113 -17.982 -12.430 0.246 1083 MB ALA 113 QB ALA 113 -17.618 -12.687 1.161 1084 H ASP 114 H ASP 114 -15.833 -15.368 -1.628 1085 HA ASP 114 HA ASP 114 -18.494 -16.637 -1.927 1086 1HB ASP 114 2HB ASP 114 -18.178 -14.901 -3.639 1087 2HB ASP 114 1HB ASP 114 -16.672 -15.662 -4.127 1088 QB ASP 114 QB ASP 114 -17.425 -15.281 -3.883 1089 H MET 115 H MET 115 -15.097 -16.816 -2.692 1090 HA MET 115 HA MET 115 -15.183 -19.590 -3.464 1091 1HB MET 115 2HB MET 115 -12.861 -17.725 -2.926 1092 2HB MET 115 1HB MET 115 -12.791 -19.236 -3.824 1093 1HG MET 115 2HG MET 115 -14.095 -18.345 -5.587 1094 2HG MET 115 1HG MET 115 -14.485 -16.903 -4.662 1095 1HE MET 115 2HE MET 115 -13.904 -15.214 -6.380 1096 2HE MET 115 1HE MET 115 -12.465 -15.239 -7.393 1097 3HE MET 115 3HE MET 115 -13.668 -16.516 -7.539 1098 QB MET 115 QB MET 115 -12.826 -18.480 -3.375 1099 QG MET 115 QG MET 115 -14.290 -17.624 -5.125 1100 ME MET 115 QE MET 115 -13.346 -15.656 -7.104 1101 H ARG 116 H ARG 116 -13.800 -17.530 -0.984 1102 HA ARG 116 HA ARG 116 -13.337 -17.736 1.196 1103 1HB ARG 116 2HB ARG 116 -15.450 -19.864 1.071 1104 2HB ARG 116 1HB ARG 116 -14.813 -19.184 2.569 1105 1HG ARG 116 2HG ARG 116 -15.598 -16.967 1.904 1106 2HG ARG 116 1HG ARG 116 -16.206 -17.630 0.390 1107 1HD ARG 116 2HD ARG 116 -17.166 -18.360 3.158 1108 2HD ARG 116 1HD ARG 116 -17.991 -17.294 2.030 1109 HE ARG 116 HE ARG 116 -17.483 -19.913 0.968 1110 1HH1 ARG 116 1HH1 ARG 116 -19.815 -17.874 2.676 1111 2HH1 ARG 116 2HH1 ARG 116 -21.097 -18.976 2.547 1112 1HH2 ARG 116 1HH2 ARG 116 -19.244 -21.430 0.745 1113 2HH2 ARG 116 2HH2 ARG 116 -20.754 -21.080 1.419 1114 QB ARG 116 QB ARG 116 -15.131 -19.524 1.820 1115 QG ARG 116 QG ARG 116 -15.902 -17.298 1.147 1116 QD ARG 116 QD ARG 116 -17.579 -17.827 2.594 1117 QH1 ARG 116 QH1 ARG 116 -20.456 -18.425 2.612 1118 QH2 ARG 116 QH2 ARG 116 -19.999 -21.255 1.082 1119 H SER 117 H SER 117 -12.688 -20.518 -0.657 1120 HA SER 117 HA SER 117 -11.462 -22.140 1.311 1121 1HB SER 117 2HB SER 117 -10.983 -22.073 -1.655 1122 2HB SER 117 1HB SER 117 -10.733 -23.431 -0.552 1123 HG SER 117 HG SER 117 -12.850 -23.682 -0.315 1124 QB SER 117 QB SER 117 -10.858 -22.752 -1.103 1125 H LEU 118 H LEU 118 -10.506 -19.199 0.154 1126 HA LEU 118 HA LEU 118 -7.751 -19.628 -0.337 1127 1HB LEU 118 2HB LEU 118 -9.102 -17.062 0.508 1128 2HB LEU 118 1HB LEU 118 -7.548 -17.216 -0.281 1129 HG LEU 118 HG LEU 118 -10.249 -17.808 -1.489 1130 1HD1 LEU 118 1HD1 LEU 118 -8.257 -15.629 -2.043 1131 2HD1 LEU 118 3HD1 LEU 118 -9.718 -15.941 -2.978 1132 3HD1 LEU 118 2HD1 LEU 118 -9.839 -15.449 -1.287 1133 1HD2 LEU 118 2HD2 LEU 118 -7.512 -18.030 -2.753 1134 2HD2 LEU 118 1HD2 LEU 118 -8.597 -19.370 -2.376 1135 3HD2 LEU 118 3HD2 LEU 118 -9.049 -18.184 -3.597 1136 MD1 LEU 118 QD1 LEU 118 -9.271 -15.673 -2.103 1137 MD2 LEU 118 QD2 LEU 118 -8.386 -18.528 -2.909 1138 QB LEU 118 QB LEU 118 -8.325 -17.139 0.113 1139 QD LEU 118 QQD LEU 118 -8.829 -17.100 -2.506 1140 H GLY 119 H GLY 119 -9.659 -19.108 2.495 1141 1HA GLY 119 1HA GLY 119 -7.780 -18.258 4.325 1142 2HA GLY 119 2HA GLY 119 -7.532 -19.985 4.166 1143 QA GLY 119 QA GLY 119 -7.656 -19.122 4.245 1144 H LEU 120 H LEU 120 -10.673 -18.438 3.936 1145 HA LEU 120 HA LEU 120 -11.441 -18.743 6.641 1146 1HB LEU 120 2HB LEU 120 -12.503 -17.205 4.959 1147 2HB LEU 120 1HB LEU 120 -13.169 -18.640 4.199 1148 HG LEU 120 HG LEU 120 -14.479 -19.124 6.216 1149 1HD1 LEU 120 1HD1 LEU 120 -13.423 -16.484 7.214 1150 2HD1 LEU 120 3HD1 LEU 120 -14.705 -17.436 7.962 1151 3HD1 LEU 120 2HD1 LEU 120 -13.063 -18.075 7.890 1152 1HD2 LEU 120 1HD2 LEU 120 -14.878 -16.355 5.092 1153 2HD2 LEU 120 3HD2 LEU 120 -15.474 -17.863 4.397 1154 3HD2 LEU 120 2HD2 LEU 120 -16.088 -17.299 5.953 1155 MD1 LEU 120 QD1 LEU 120 -13.730 -17.332 7.689 1156 MD2 LEU 120 QD2 LEU 120 -15.480 -17.172 5.147 1157 QB LEU 120 QB LEU 120 -12.836 -17.923 4.579 1158 QD LEU 120 QQD LEU 120 -14.605 -17.252 6.418 1159 H ALA 121 H ALA 121 -12.148 -20.660 3.741 1160 HA ALA 121 HA ALA 121 -13.595 -22.500 5.320 1161 1HB ALA 121 3HB ALA 121 -14.175 -23.682 3.298 1162 2HB ALA 121 2HB ALA 121 -14.387 -21.949 3.065 1163 3HB ALA 121 1HB ALA 121 -12.983 -22.763 2.380 1164 MB ALA 121 QB ALA 121 -13.848 -22.798 2.914 1165 H GLU 122 H GLU 122 -11.901 -23.029 6.661 1166 HA GLU 122 HA GLU 122 -10.033 -25.105 5.725 1167 1HB GLU 122 2HB GLU 122 -9.364 -23.227 7.323 1168 2HB GLU 122 1HB GLU 122 -10.446 -23.934 8.497 1169 1HG GLU 122 2HG GLU 122 -8.229 -24.627 9.020 1170 2HG GLU 122 1HG GLU 122 -9.098 -26.023 8.387 1171 QB GLU 122 QB GLU 122 -9.905 -23.580 7.910 1172 QG GLU 122 QG GLU 122 -8.664 -25.325 8.704 1173 H SER 123 H SER 123 -13.115 -24.629 6.687 1174 HA SER 123 HA SER 123 -13.439 -26.857 8.423 1175 1HB SER 123 2HB SER 123 -15.853 -25.928 8.235 1176 2HB SER 123 1HB SER 123 -14.637 -25.006 9.131 1177 HG SER 123 HG SER 123 -15.650 -24.589 6.537 1178 QB SER 123 QB SER 123 -15.245 -25.467 8.683 1179 H ARG 124 H ARG 124 -13.028 -28.566 7.148 1180 HA ARG 124 HA ARG 124 -14.894 -29.115 4.978 1181 1HB ARG 124 2HB ARG 124 -13.801 -31.352 4.768 1182 2HB ARG 124 1HB ARG 124 -12.664 -30.030 4.602 1183 1HG ARG 124 2HG ARG 124 -12.993 -31.391 7.254 1184 2HG ARG 124 1HG ARG 124 -12.034 -32.152 5.985 1185 1HD ARG 124 2HD ARG 124 -11.566 -29.382 7.128 1186 2HD ARG 124 1HD ARG 124 -10.632 -30.835 7.494 1187 HE ARG 124 HE ARG 124 -10.582 -30.624 4.782 1188 1HH1 ARG 124 1HH1 ARG 124 -9.482 -28.585 7.438 1189 2HH1 ARG 124 2HH1 ARG 124 -8.250 -27.813 6.561 1190 1HH2 ARG 124 1HH2 ARG 124 -8.876 -29.667 3.575 1191 2HH2 ARG 124 2HH2 ARG 124 -7.871 -28.475 4.273 1192 QB ARG 124 QB ARG 124 -13.232 -30.691 4.685 1193 QG ARG 124 QG ARG 124 -12.514 -31.771 6.619 1194 QD ARG 124 QD ARG 124 -11.099 -30.109 7.311 1195 QH1 ARG 124 QH1 ARG 124 -8.866 -28.199 7.000 1196 QH2 ARG 124 QH2 ARG 124 -8.374 -29.071 3.924 1197 H GLN 125 H GLN 125 -14.778 -29.262 8.234 1198 HA GLN 125 HA GLN 125 -17.145 -30.931 8.409 1199 1HB GLN 125 2HB GLN 125 -15.239 -32.372 9.014 1200 2HB GLN 125 1HB GLN 125 -14.699 -31.169 10.172 1201 1HG GLN 125 2HG GLN 125 -15.836 -33.061 11.242 1202 2HG GLN 125 1HG GLN 125 -16.663 -31.533 11.524 1203 1HE2 GLN 125 1HE2 GLN 125 -16.750 -34.527 9.783 1204 2HE2 GLN 125 2HE2 GLN 125 -18.424 -34.459 9.370 1205 QB GLN 125 QB GLN 125 -14.969 -31.771 9.593 1206 QG GLN 125 QG GLN 125 -16.249 -32.297 11.383 1207 QE GLN 125 QE2 GLN 125 -17.587 -34.493 9.576 No H/Q in entry = 1207 Start of MODEL 18 1 H1 LEU 5 3HT LEU 5 -9.828 34.373 -22.865 2 H2 LEU 5 2HT LEU 5 -9.636 33.038 -23.853 3 H3 LEU 5 1HT LEU 5 -11.027 33.193 -22.891 4 HA LEU 5 HA LEU 5 -9.629 33.105 -20.916 5 1HB LEU 5 2HB LEU 5 -9.282 30.811 -22.854 6 2HB LEU 5 1HB LEU 5 -8.620 30.740 -21.238 7 HG LEU 5 HG LEU 5 -10.585 29.474 -21.251 8 1HD1 LEU 5 1HD1 LEU 5 -11.244 32.105 -19.986 9 2HD1 LEU 5 3HD1 LEU 5 -12.096 30.583 -19.708 10 3HD1 LEU 5 2HD1 LEU 5 -10.398 30.733 -19.265 11 1HD2 LEU 5 2HD2 LEU 5 -11.585 30.262 -23.286 12 2HD2 LEU 5 1HD2 LEU 5 -12.772 30.280 -21.976 13 3HD2 LEU 5 3HD2 LEU 5 -12.027 31.786 -22.523 14 MD1 LEU 5 QD1 LEU 5 -11.246 31.140 -19.653 15 MD2 LEU 5 QD2 LEU 5 -12.128 30.776 -22.595 16 QB LEU 5 QB LEU 5 -8.951 30.776 -22.046 17 QD LEU 5 QQD LEU 5 -11.687 30.958 -21.124 18 H GLU 6 H GLU 6 -7.408 32.087 -20.276 19 HA GLU 6 HA GLU 6 -5.310 33.288 -21.881 20 1HB GLU 6 2HB GLU 6 -5.885 34.712 -19.902 21 2HB GLU 6 1HB GLU 6 -5.612 33.263 -18.936 22 1HG GLU 6 2HG GLU 6 -3.860 34.980 -18.900 23 2HG GLU 6 1HG GLU 6 -3.279 33.362 -19.335 24 QB GLU 6 QB GLU 6 -5.748 33.987 -19.419 25 QG GLU 6 QG GLU 6 -3.570 34.171 -19.118 26 H ALA 7 H ALA 7 -3.265 32.391 -21.381 27 HA ALA 7 HA ALA 7 -3.040 29.654 -21.712 28 1HB ALA 7 3HB ALA 7 -1.025 31.442 -20.349 29 2HB ALA 7 2HB ALA 7 -0.701 29.882 -21.102 30 3HB ALA 7 1HB ALA 7 -1.206 31.253 -22.091 31 MB ALA 7 QB ALA 7 -0.977 30.859 -21.181 32 H ASP 8 H ASP 8 -2.896 27.921 -20.415 33 HA ASP 8 HA ASP 8 -4.122 28.167 -17.865 34 1HB ASP 8 2HB ASP 8 -4.507 26.334 -19.538 35 2HB ASP 8 1HB ASP 8 -2.907 25.729 -19.133 36 QB ASP 8 QB ASP 8 -3.707 26.031 -19.336 37 H VAL 9 H VAL 9 -3.141 28.163 -15.914 38 HA VAL 9 HA VAL 9 -0.502 28.592 -15.742 39 HB VAL 9 HB VAL 9 -0.751 28.457 -13.249 40 1HG1 VAL 9 1HG1 VAL 9 -2.713 30.116 -14.816 41 2HG1 VAL 9 3HG1 VAL 9 -2.227 30.433 -13.154 42 3HG1 VAL 9 2HG1 VAL 9 -1.037 30.543 -14.450 43 1HG2 VAL 9 3HG2 VAL 9 -2.492 26.773 -13.243 44 2HG2 VAL 9 2HG2 VAL 9 -3.020 28.231 -12.375 45 3HG2 VAL 9 1HG2 VAL 9 -3.585 27.907 -14.028 46 MG1 VAL 9 QG1 VAL 9 -1.992 30.364 -14.140 47 MG2 VAL 9 QG2 VAL 9 -3.032 27.637 -13.216 48 QG VAL 9 QQG VAL 9 -2.512 29.000 -13.678 49 H THR 10 H THR 10 -2.117 25.628 -15.879 50 HA THR 10 HA THR 10 -1.645 23.500 -15.631 51 HB THR 10 HB THR 10 0.491 22.694 -16.110 52 HG1 THR 10 1HG THR 10 1.281 25.291 -15.469 53 1HG2 THR 10 2HG2 THR 10 -0.286 25.005 -17.870 54 2HG2 THR 10 1HG2 THR 10 0.818 23.720 -18.359 55 3HG2 THR 10 3HG2 THR 10 -0.859 23.338 -17.969 56 MG THR 10 QG2 THR 10 -0.109 24.021 -18.066 57 H MET 11 H MET 11 -2.200 22.553 -13.826 58 HA MET 11 HA MET 11 -1.173 23.260 -11.308 59 1HB MET 11 2HB MET 11 -2.705 20.823 -12.205 60 2HB MET 11 1HB MET 11 -2.318 21.182 -10.535 61 1HG MET 11 2HG MET 11 -3.595 23.307 -10.765 62 2HG MET 11 1HG MET 11 -4.062 22.786 -12.379 63 1HE MET 11 2HE MET 11 -6.049 23.647 -10.104 64 2HE MET 11 1HE MET 11 -6.617 23.134 -11.690 65 3HE MET 11 3HE MET 11 -7.332 22.437 -10.233 66 QB MET 11 QB MET 11 -2.511 21.002 -11.370 67 QG MET 11 QG MET 11 -3.828 23.047 -11.572 68 ME MET 11 QE MET 11 -6.666 23.073 -10.676 69 H THR 12 H THR 12 -0.427 20.883 -13.694 70 HA THR 12 HA THR 12 1.167 19.326 -13.978 71 HB THR 12 HB THR 12 3.393 19.972 -13.466 72 HG1 THR 12 1HG THR 12 2.172 22.461 -12.676 73 1HG2 THR 12 1HG2 THR 12 2.384 20.499 -15.613 74 2HG2 THR 12 3HG2 THR 12 1.798 22.030 -14.949 75 3HG2 THR 12 2HG2 THR 12 3.527 21.759 -15.151 76 MG THR 12 QG2 THR 12 2.570 21.429 -15.238 77 H GLY 13 H GLY 13 2.829 20.365 -11.226 78 1HA GLY 13 1HA GLY 13 2.680 17.620 -10.221 79 2HA GLY 13 2HA GLY 13 2.642 19.019 -9.140 80 QA GLY 13 QA GLY 13 2.661 18.319 -9.681 81 H SER 14 H SER 14 4.553 19.225 -8.229 82 HA SER 14 HA SER 14 6.909 18.660 -9.856 83 1HB SER 14 2HB SER 14 7.968 20.669 -8.612 84 2HB SER 14 1HB SER 14 6.836 20.992 -9.926 85 HG SER 14 HG SER 14 6.506 21.338 -7.155 86 QB SER 14 QB SER 14 7.402 20.830 -9.269 87 H ASP 15 H ASP 15 5.784 19.204 -6.467 88 HA ASP 15 HA ASP 15 8.057 17.778 -5.548 89 1HB ASP 15 2HB ASP 15 7.342 18.721 -3.425 90 2HB ASP 15 1HB ASP 15 7.823 19.977 -4.522 91 QB ASP 15 QB ASP 15 7.582 19.349 -3.974 92 H LEU 16 H LEU 16 6.337 16.343 -6.731 93 HA LEU 16 HA LEU 16 5.337 14.721 -4.545 94 1HB LEU 16 2HB LEU 16 4.424 14.671 -7.383 95 2HB LEU 16 1HB LEU 16 3.798 13.692 -6.065 96 HG LEU 16 HG LEU 16 2.180 15.179 -6.422 97 1HD1 LEU 16 1HD1 LEU 16 2.595 15.217 -4.100 98 2HD1 LEU 16 3HD1 LEU 16 3.746 16.539 -4.285 99 3HD1 LEU 16 2HD1 LEU 16 2.035 16.807 -4.624 100 1HD2 LEU 16 1HD2 LEU 16 4.168 17.347 -6.900 101 2HD2 LEU 16 3HD2 LEU 16 3.167 16.448 -8.048 102 3HD2 LEU 16 2HD2 LEU 16 2.393 17.547 -6.899 103 MD1 LEU 16 QD1 LEU 16 2.792 16.188 -4.336 104 MD2 LEU 16 QD2 LEU 16 3.243 17.114 -7.282 105 QB LEU 16 QB LEU 16 4.111 14.182 -6.724 106 QD LEU 16 QQD LEU 16 3.017 16.651 -5.809 107 H VAL 17 H VAL 17 5.492 12.619 -4.773 108 HA VAL 17 HA VAL 17 7.514 11.697 -6.400 109 HB VAL 17 HB VAL 17 7.756 12.010 -3.433 110 1HG1 VAL 17 3HG1 VAL 17 8.892 9.959 -5.120 111 2HG1 VAL 17 2HG1 VAL 17 9.702 10.409 -3.564 112 3HG1 VAL 17 1HG1 VAL 17 8.012 9.754 -3.591 113 1HG2 VAL 17 3HG2 VAL 17 8.935 13.601 -4.916 114 2HG2 VAL 17 2HG2 VAL 17 10.040 12.680 -3.895 115 3HG2 VAL 17 1HG2 VAL 17 9.847 12.252 -5.593 116 MG1 VAL 17 QG1 VAL 17 8.869 10.041 -4.092 117 MG2 VAL 17 QG2 VAL 17 9.607 12.845 -4.801 118 QG VAL 17 QQG VAL 17 9.238 11.443 -4.447 119 H SER 18 H SER 18 7.323 9.402 -6.379 120 HA SER 18 HA SER 18 5.144 8.267 -4.806 121 1HB SER 18 2HB SER 18 4.504 6.826 -6.717 122 2HB SER 18 1HB SER 18 4.281 8.536 -7.068 123 HG SER 18 HG SER 18 6.657 7.217 -7.714 124 QB SER 18 QB SER 18 4.393 7.681 -6.892 125 H CYS 19 H CYS 19 6.026 6.937 -3.469 126 HA CYS 19 HA CYS 19 8.344 5.389 -4.248 127 1HB CYS 19 2HB CYS 19 6.820 5.597 -1.644 128 2HB CYS 19 1HB CYS 19 8.277 4.634 -1.865 129 HG CYS 19 HG CYS 19 9.965 6.540 -1.366 130 QB CYS 19 QB CYS 19 7.549 5.115 -1.755 131 H CYS 20 H CYS 20 8.085 3.443 -5.083 132 HA CYS 20 HA CYS 20 5.406 2.221 -5.000 133 1HB CYS 20 2HB CYS 20 7.494 2.001 -7.167 134 2HB CYS 20 1HB CYS 20 5.812 1.494 -7.238 135 HG CYS 20 HG CYS 20 6.456 3.846 -8.822 136 QB CYS 20 QB CYS 20 6.653 1.748 -7.202 137 H TYR 21 H TYR 21 5.477 0.358 -3.788 138 HA TYR 21 HA TYR 21 8.136 -0.816 -3.724 139 1HB TYR 21 2HB TYR 21 8.041 -1.195 -1.426 140 2HB TYR 21 1HB TYR 21 7.629 0.487 -1.790 141 HD1 TYR 21 1HD TYR 21 5.677 -2.677 -1.223 142 HD2 TYR 21 2HD TYR 21 6.429 1.380 -0.327 143 HE1 TYR 21 1HE TYR 21 3.880 -2.703 0.479 144 HE2 TYR 21 2HE TYR 21 4.750 1.397 1.288 145 HH TYR 21 HH TYR 21 2.617 0.046 1.735 146 QB TYR 21 QB TYR 21 7.835 -0.354 -1.608 147 QD TYR 21 QD TYR 21 6.053 -0.648 -0.775 148 QE TYR 21 QE TYR 21 4.315 -0.653 0.884 149 QR TYR 21 QR TYR 21 5.184 -0.651 0.054 150 H ARG 22 H ARG 22 8.123 -2.870 -2.600 151 HA ARG 22 HA ARG 22 6.146 -4.741 -3.691 152 1HB ARG 22 2HB ARG 22 8.135 -5.097 -4.776 153 2HB ARG 22 1HB ARG 22 9.091 -4.587 -3.398 154 1HG ARG 22 2HG ARG 22 8.293 -6.755 -2.303 155 2HG ARG 22 1HG ARG 22 7.826 -7.232 -3.946 156 1HD ARG 22 2HD ARG 22 10.029 -6.882 -4.745 157 2HD ARG 22 1HD ARG 22 10.475 -6.151 -3.198 158 HE ARG 22 HE ARG 22 9.700 -8.562 -2.441 159 1HH1 ARG 22 1HH1 ARG 22 12.077 -7.494 -4.852 160 2HH1 ARG 22 2HH1 ARG 22 13.057 -8.857 -4.721 161 1HH2 ARG 22 1HH2 ARG 22 11.092 -10.508 -2.281 162 2HH2 ARG 22 2HH2 ARG 22 12.489 -10.600 -3.233 163 QB ARG 22 QB ARG 22 8.613 -4.842 -4.087 164 QG ARG 22 QG ARG 22 8.059 -6.993 -3.125 165 QD ARG 22 QD ARG 22 10.252 -6.516 -3.972 166 QH1 ARG 22 QH1 ARG 22 12.567 -8.175 -4.787 167 QH2 ARG 22 QH2 ARG 22 11.790 -10.554 -2.757 168 H SER 23 H SER 23 5.255 -6.152 -2.177 169 HA SER 23 HA SER 23 6.672 -6.728 0.270 170 1HB SER 23 2HB SER 23 3.852 -5.669 0.148 171 2HB SER 23 1HB SER 23 4.512 -6.518 1.554 172 HG SER 23 HG SER 23 5.873 -4.372 0.422 173 QB SER 23 QB SER 23 4.182 -6.093 0.851 174 H LEU 24 H LEU 24 6.454 -8.795 0.763 175 HA LEU 24 HA LEU 24 4.574 -10.371 -0.881 176 1HB LEU 24 2HB LEU 24 6.977 -11.216 0.734 177 2HB LEU 24 1HB LEU 24 5.817 -12.393 0.174 178 HG LEU 24 HG LEU 24 7.774 -12.357 -1.254 179 1HD1 LEU 24 2HD1 LEU 24 5.346 -11.241 -2.632 180 2HD1 LEU 24 1HD1 LEU 24 6.692 -12.060 -3.420 181 3HD1 LEU 24 3HD1 LEU 24 5.677 -12.934 -2.275 182 1HD2 LEU 24 1HD2 LEU 24 8.400 -9.996 -0.892 183 2HD2 LEU 24 3HD2 LEU 24 8.398 -10.442 -2.603 184 3HD2 LEU 24 2HD2 LEU 24 7.055 -9.507 -1.939 185 MD1 LEU 24 QD1 LEU 24 5.905 -12.079 -2.776 186 MD2 LEU 24 QD2 LEU 24 7.951 -9.982 -1.811 187 QB LEU 24 QB LEU 24 6.397 -11.805 0.454 188 QD LEU 24 QQD LEU 24 6.928 -11.030 -2.294 189 H ALA 25 H ALA 25 2.958 -9.223 0.624 190 HA ALA 25 HA ALA 25 2.367 -9.049 3.133 191 1HB ALA 25 2HB ALA 25 0.393 -10.376 1.280 192 2HB ALA 25 3HB ALA 25 0.631 -8.647 1.596 193 3HB ALA 25 1HB ALA 25 0.029 -9.673 2.869 194 MB ALA 25 QB ALA 25 0.351 -9.565 1.915 195 H ALA 26 H ALA 26 2.501 -10.023 5.037 196 HA ALA 26 HA ALA 26 3.355 -12.559 5.208 197 1HB ALA 26 1HB ALA 26 3.975 -10.915 6.755 198 2HB ALA 26 3HB ALA 26 2.311 -10.497 7.070 199 3HB ALA 26 2HB ALA 26 2.946 -12.038 7.679 200 MB ALA 26 QB ALA 26 3.077 -11.150 7.168 201 HA PRO 27 HA PRO 27 -0.827 -14.486 5.105 202 1HB PRO 27 2HB PRO 27 0.062 -16.948 5.869 203 2HB PRO 27 1HB PRO 27 0.225 -16.344 4.210 204 1HG PRO 27 2HG PRO 27 2.209 -16.013 6.464 205 2HG PRO 27 1HG PRO 27 2.518 -16.849 4.888 206 1HD PRO 27 2HD PRO 27 3.268 -14.458 5.279 207 2HD PRO 27 1HD PRO 27 2.269 -14.726 3.827 208 QB PRO 27 QB PRO 27 0.143 -16.646 5.040 209 QG PRO 27 QG PRO 27 2.363 -16.431 5.676 210 QD PRO 27 QD PRO 27 2.768 -14.592 4.553 211 H ASP 28 H ASP 28 1.124 -13.806 7.580 212 HA ASP 28 HA ASP 28 -0.359 -15.130 9.724 213 1HB ASP 28 2HB ASP 28 2.212 -13.579 9.692 214 2HB ASP 28 1HB ASP 28 1.441 -14.139 11.159 215 QB ASP 28 QB ASP 28 1.826 -13.859 10.426 216 H LEU 29 H LEU 29 -0.723 -12.406 8.012 217 HA LEU 29 HA LEU 29 -0.859 -10.414 10.018 218 1HB LEU 29 2HB LEU 29 -2.064 -10.484 7.289 219 2HB LEU 29 1HB LEU 29 -2.076 -9.096 8.351 220 HG LEU 29 HG LEU 29 0.299 -10.399 7.084 221 1HD1 LEU 29 3HD1 LEU 29 -1.039 -7.765 6.758 222 2HD1 LEU 29 2HD1 LEU 29 0.473 -8.252 5.946 223 3HD1 LEU 29 1HD1 LEU 29 -1.049 -9.102 5.605 224 1HD2 LEU 29 2HD2 LEU 29 0.124 -8.123 9.037 225 2HD2 LEU 29 1HD2 LEU 29 0.966 -9.644 9.268 226 3HD2 LEU 29 3HD2 LEU 29 1.567 -8.479 8.079 227 MD1 LEU 29 QD1 LEU 29 -0.538 -8.373 6.103 228 MD2 LEU 29 QD2 LEU 29 0.885 -8.749 8.795 229 QB LEU 29 QB LEU 29 -2.070 -9.790 7.820 230 QD LEU 29 QQD LEU 29 0.173 -8.561 7.449 231 H THR 30 H THR 30 -2.523 -9.489 10.976 232 HA THR 30 HA THR 30 -4.889 -11.003 11.390 233 HB THR 30 HB THR 30 -5.128 -8.683 12.522 234 HG1 THR 30 1HG THR 30 -3.126 -7.827 12.789 235 1HG2 THR 30 1HG2 THR 30 -3.767 -11.130 13.442 236 2HG2 THR 30 3HG2 THR 30 -4.400 -9.877 14.540 237 3HG2 THR 30 2HG2 THR 30 -5.514 -10.751 13.458 238 MG THR 30 QG2 THR 30 -4.560 -10.586 13.813 239 H LEU 31 H LEU 31 -6.796 -10.545 10.726 240 HA LEU 31 HA LEU 31 -7.431 -9.067 8.398 241 1HB LEU 31 2HB LEU 31 -8.787 -10.847 9.536 242 2HB LEU 31 1HB LEU 31 -9.020 -9.577 10.753 243 HG LEU 31 HG LEU 31 -10.261 -8.210 9.187 244 1HD1 LEU 31 2HD1 LEU 31 -9.213 -8.873 7.132 245 2HD1 LEU 31 1HD1 LEU 31 -9.980 -10.471 7.217 246 3HD1 LEU 31 3HD1 LEU 31 -10.962 -9.005 7.051 247 1HD2 LEU 31 3HD2 LEU 31 -11.321 -11.014 9.369 248 2HD2 LEU 31 2HD2 LEU 31 -11.503 -9.743 10.574 249 3HD2 LEU 31 1HD2 LEU 31 -12.285 -9.583 8.998 250 MD1 LEU 31 QD1 LEU 31 -10.052 -9.449 7.133 251 MD2 LEU 31 QD2 LEU 31 -11.703 -10.114 9.647 252 QB LEU 31 QB LEU 31 -8.904 -10.212 10.144 253 QD LEU 31 QQD LEU 31 -10.877 -9.782 8.390 254 H ARG 32 H ARG 32 -7.596 -8.091 11.819 255 HA ARG 32 HA ARG 32 -8.746 -5.715 10.781 256 1HB ARG 32 2HB ARG 32 -8.958 -6.841 13.278 257 2HB ARG 32 1HB ARG 32 -8.007 -5.376 13.546 258 1HG ARG 32 2HG ARG 32 -10.402 -5.244 11.806 259 2HG ARG 32 1HG ARG 32 -10.656 -5.184 13.572 260 1HD ARG 32 2HD ARG 32 -8.780 -3.398 12.048 261 2HD ARG 32 1HD ARG 32 -10.500 -3.059 12.117 262 HE ARG 32 HE ARG 32 -10.319 -2.824 14.483 263 1HH1 ARG 32 1HH1 ARG 32 -7.130 -3.011 12.930 264 2HH1 ARG 32 2HH1 ARG 32 -6.365 -2.011 14.057 265 1HH2 ARG 32 1HH2 ARG 32 -9.200 -1.398 16.053 266 2HH2 ARG 32 2HH2 ARG 32 -7.542 -1.078 15.845 267 QB ARG 32 QB ARG 32 -8.483 -6.109 13.412 268 QG ARG 32 QG ARG 32 -10.529 -5.214 12.689 269 QD ARG 32 QD ARG 32 -9.640 -3.229 12.083 270 QH1 ARG 32 QH1 ARG 32 -6.748 -2.511 13.493 271 QH2 ARG 32 QH2 ARG 32 -8.371 -1.238 15.949 272 H ASP 33 H ASP 33 -5.721 -6.732 11.047 273 HA ASP 33 HA ASP 33 -4.609 -4.109 11.106 274 1HB ASP 33 2HB ASP 33 -3.486 -6.806 10.428 275 2HB ASP 33 1HB ASP 33 -2.627 -5.363 9.896 276 QB ASP 33 QB ASP 33 -3.057 -6.084 10.162 277 H LEU 34 H LEU 34 -5.880 -6.332 8.636 278 HA LEU 34 HA LEU 34 -4.973 -4.668 6.433 279 1HB LEU 34 2HB LEU 34 -7.215 -6.711 6.499 280 2HB LEU 34 1HB LEU 34 -6.824 -5.791 5.075 281 HG LEU 34 HG LEU 34 -5.993 -8.051 4.909 282 1HD1 LEU 34 2HD1 LEU 34 -4.669 -6.306 3.831 283 2HD1 LEU 34 1HD1 LEU 34 -3.704 -6.135 5.296 284 3HD1 LEU 34 3HD1 LEU 34 -3.663 -7.641 4.386 285 1HD2 LEU 34 1HD2 LEU 34 -5.831 -8.339 7.296 286 2HD2 LEU 34 3HD2 LEU 34 -4.413 -8.974 6.425 287 3HD2 LEU 34 2HD2 LEU 34 -4.315 -7.400 7.257 288 MD1 LEU 34 QD1 LEU 34 -4.012 -6.694 4.504 289 MD2 LEU 34 QD2 LEU 34 -4.853 -8.238 6.992 290 QB LEU 34 QB LEU 34 -7.019 -6.251 5.787 291 QD LEU 34 QQD LEU 34 -4.432 -7.466 5.748 292 H LEU 35 H LEU 35 -7.821 -5.063 8.231 293 HA LEU 35 HA LEU 35 -9.385 -3.124 6.863 294 1HB LEU 35 2HB LEU 35 -9.648 -4.396 9.581 295 2HB LEU 35 1HB LEU 35 -10.777 -3.185 9.028 296 HG LEU 35 HG LEU 35 -11.440 -5.655 8.818 297 1HD1 LEU 35 3HD1 LEU 35 -11.536 -3.852 6.381 298 2HD1 LEU 35 2HD1 LEU 35 -12.603 -5.229 6.664 299 3HD1 LEU 35 1HD1 LEU 35 -12.676 -3.823 7.725 300 1HD2 LEU 35 1HD2 LEU 35 -9.308 -6.419 7.791 301 2HD2 LEU 35 3HD2 LEU 35 -10.707 -6.825 6.781 302 3HD2 LEU 35 2HD2 LEU 35 -9.653 -5.450 6.397 303 MD1 LEU 35 QD1 LEU 35 -12.271 -4.301 6.923 304 MD2 LEU 35 QD2 LEU 35 -9.889 -6.231 6.990 305 QB LEU 35 QB LEU 35 -10.213 -3.791 9.304 306 QD LEU 35 QQD LEU 35 -11.080 -5.266 6.957 307 H ASP 36 H ASP 36 -7.405 -2.977 9.694 308 HA ASP 36 HA ASP 36 -7.804 -0.191 10.160 309 1HB ASP 36 2HB ASP 36 -6.601 -1.673 11.797 310 2HB ASP 36 1HB ASP 36 -5.199 -1.616 10.729 311 QB ASP 36 QB ASP 36 -5.900 -1.644 11.263 312 H ILE 37 H ILE 37 -5.561 -1.858 7.980 313 HA ILE 37 HA ILE 37 -4.010 0.289 7.059 314 HB ILE 37 HB ILE 37 -5.167 -1.914 5.306 315 1HG1 ILE 37 2HG1 ILE 37 -2.466 -1.870 6.650 316 2HG1 ILE 37 1HG1 ILE 37 -3.858 -2.744 7.274 317 1HG2 ILE 37 1HG2 ILE 37 -4.282 -0.085 3.981 318 2HG2 ILE 37 3HG2 ILE 37 -2.749 -0.158 4.855 319 3HG2 ILE 37 2HG2 ILE 37 -3.244 -1.501 3.825 320 1HD1 ILE 37 3HD1 ILE 37 -3.890 -3.975 5.029 321 2HD1 ILE 37 2HD1 ILE 37 -2.305 -3.265 4.769 322 3HD1 ILE 37 1HD1 ILE 37 -2.562 -4.346 6.133 323 MG ILE 37 QG2 ILE 37 -3.425 -0.581 4.220 324 MD ILE 37 QD1 ILE 37 -2.919 -3.862 5.310 325 QG ILE 37 QG1 ILE 37 -3.162 -2.307 6.962 326 H VAL 38 H VAL 38 -7.051 -0.944 5.757 327 HA VAL 38 HA VAL 38 -7.342 1.165 3.906 328 HB VAL 38 HB VAL 38 -8.332 -1.115 3.549 329 1HG1 VAL 38 1HG1 VAL 38 -10.278 -0.464 5.665 330 2HG1 VAL 38 3HG1 VAL 38 -10.347 -1.822 4.517 331 3HG1 VAL 38 2HG1 VAL 38 -8.989 -1.689 5.619 332 1HG2 VAL 38 2HG2 VAL 38 -10.356 1.115 3.435 333 2HG2 VAL 38 1HG2 VAL 38 -9.207 0.687 2.167 334 3HG2 VAL 38 3HG2 VAL 38 -10.503 -0.431 2.596 335 MG1 VAL 38 QG1 VAL 38 -9.872 -1.325 5.267 336 MG2 VAL 38 QG2 VAL 38 -10.022 0.457 2.733 337 QG VAL 38 QQG VAL 38 -9.947 -0.434 4.000 338 H GLU 39 H GLU 39 -7.928 1.117 7.198 339 HA GLU 39 HA GLU 39 -9.879 3.220 7.189 340 1HB GLU 39 2HB GLU 39 -9.957 1.413 8.834 341 2HB GLU 39 1HB GLU 39 -8.329 1.804 9.357 342 1HG GLU 39 2HG GLU 39 -9.870 2.665 10.956 343 2HG GLU 39 1HG GLU 39 -9.115 3.975 10.021 344 QB GLU 39 QB GLU 39 -9.143 1.608 9.095 345 QG GLU 39 QG GLU 39 -9.492 3.320 10.488 346 H THR 40 H THR 40 -6.600 2.729 8.499 347 HA THR 40 HA THR 40 -6.169 5.404 9.221 348 HB THR 40 HB THR 40 -4.241 3.095 8.962 349 HG1 THR 40 1HG THR 40 -5.021 2.429 10.837 350 1HG2 THR 40 1HG2 THR 40 -3.092 5.262 9.174 351 2HG2 THR 40 3HG2 THR 40 -4.060 5.633 10.609 352 3HG2 THR 40 2HG2 THR 40 -2.910 4.287 10.636 353 MG THR 40 QG2 THR 40 -3.354 5.061 10.140 354 H SER 41 H SER 41 -5.158 3.522 6.367 355 HA SER 41 HA SER 41 -3.050 5.116 5.524 356 1HB SER 41 2HB SER 41 -3.550 2.860 4.619 357 2HB SER 41 1HB SER 41 -4.953 3.516 3.788 358 HG SER 41 HG SER 41 -3.473 3.597 2.266 359 QB SER 41 QB SER 41 -4.251 3.188 4.203 360 H GLN 42 H GLN 42 -6.456 5.321 4.596 361 HA GLN 42 HA GLN 42 -6.261 7.432 2.743 362 1HB GLN 42 2HB GLN 42 -8.474 6.611 4.549 363 2HB GLN 42 1HB GLN 42 -8.643 7.764 3.234 364 1HG GLN 42 2HG GLN 42 -8.200 6.146 1.624 365 2HG GLN 42 1HG GLN 42 -7.644 4.990 2.831 366 1HE2 GLN 42 1HE2 GLN 42 -9.853 5.684 4.693 367 2HE2 GLN 42 2HE2 GLN 42 -11.174 4.850 3.933 368 QB GLN 42 QB GLN 42 -8.559 7.188 3.891 369 QG GLN 42 QG GLN 42 -7.922 5.568 2.227 370 QE GLN 42 QE2 GLN 42 -10.514 5.267 4.313 371 H ALA 43 H ALA 43 -6.810 7.359 6.172 372 HA ALA 43 HA ALA 43 -7.636 10.002 6.460 373 1HB ALA 43 1HB ALA 43 -7.504 9.558 8.807 374 2HB ALA 43 2HB ALA 43 -6.357 8.231 8.500 375 3HB ALA 43 3HB ALA 43 -8.017 8.113 7.906 376 MB ALA 43 QB ALA 43 -7.293 8.634 8.404 377 H HIS 44 H HIS 44 -4.415 8.588 6.767 378 HA HIS 44 HA HIS 44 -3.208 11.164 7.342 379 1HB HIS 44 2HB HIS 44 -2.139 9.025 8.114 380 2HB HIS 44 1HB HIS 44 -2.069 8.641 6.390 381 HD1 HIS 44 1HD HIS 44 0.221 8.642 5.633 382 HD2 HIS 44 2HD HIS 44 -0.411 11.770 8.269 383 HE1 HIS 44 1HE HIS 44 2.426 9.853 5.774 384 HE2 HIS 44 2HE HIS 44 2.103 11.302 7.737 385 QB HIS 44 QB HIS 44 -2.104 8.833 7.252 386 H ASN 45 H ASN 45 -3.642 9.080 4.518 387 HA ASN 45 HA ASN 45 -1.980 10.561 2.840 388 1HB ASN 45 2HB ASN 45 -4.242 8.694 2.197 389 2HB ASN 45 1HB ASN 45 -3.379 9.557 0.928 390 1HD2 ASN 45 1HD2 ASN 45 -3.560 6.744 1.377 391 2HD2 ASN 45 2HD2 ASN 45 -1.955 6.155 1.588 392 QB ASN 45 QB ASN 45 -3.811 9.125 1.563 393 QD ASN 45 QD2 ASN 45 -2.757 6.449 1.482 394 H ALA 46 H ALA 46 -5.439 10.766 3.378 395 HA ALA 46 HA ALA 46 -5.982 12.760 1.478 396 1HB ALA 46 2HB ALA 46 -8.015 13.158 2.775 397 2HB ALA 46 3HB ALA 46 -7.345 12.211 4.104 398 3HB ALA 46 1HB ALA 46 -7.724 11.427 2.568 399 MB ALA 46 QB ALA 46 -7.695 12.265 3.149 400 H ARG 47 H ARG 47 -4.982 12.857 4.815 401 HA ARG 47 HA ARG 47 -5.222 15.638 5.162 402 1HB ARG 47 2HB ARG 47 -4.974 13.674 6.909 403 2HB ARG 47 1HB ARG 47 -3.254 13.976 6.622 404 1HG ARG 47 2HG ARG 47 -5.121 16.154 7.540 405 2HG ARG 47 1HG ARG 47 -4.274 15.103 8.662 406 1HD ARG 47 2HD ARG 47 -2.144 15.887 7.877 407 2HD ARG 47 1HD ARG 47 -2.910 16.778 6.560 408 HE ARG 47 HE ARG 47 -4.020 17.732 8.872 409 1HH1 ARG 47 1HH1 ARG 47 -0.708 17.535 7.576 410 2HH1 ARG 47 2HH1 ARG 47 -0.248 19.036 8.216 411 1HH2 ARG 47 1HH2 ARG 47 -3.327 19.829 9.739 412 2HH2 ARG 47 2HH2 ARG 47 -1.740 20.352 9.456 413 QB ARG 47 QB ARG 47 -4.114 13.825 6.766 414 QG ARG 47 QG ARG 47 -4.697 15.629 8.101 415 QD ARG 47 QD ARG 47 -2.527 16.333 7.219 416 QH1 ARG 47 QH1 ARG 47 -0.478 18.286 7.896 417 QH2 ARG 47 QH2 ARG 47 -2.534 20.091 9.598 418 H ALA 48 H ALA 48 -2.411 13.517 4.498 419 HA ALA 48 HA ALA 48 -0.754 15.810 4.294 420 1HB ALA 48 2HB ALA 48 0.110 13.757 5.202 421 2HB ALA 48 3HB ALA 48 1.045 14.323 3.812 422 3HB ALA 48 1HB ALA 48 -0.069 12.960 3.627 423 MB ALA 48 QB ALA 48 0.362 13.680 4.214 424 H GLN 49 H GLN 49 -2.912 14.535 2.170 425 HA GLN 49 HA GLN 49 -3.517 15.038 0.059 426 1HB GLN 49 2HB GLN 49 -1.102 16.833 0.153 427 2HB GLN 49 1HB GLN 49 -2.260 16.831 -1.209 428 1HG GLN 49 2HG GLN 49 -3.665 18.069 0.006 429 2HG GLN 49 1HG GLN 49 -3.355 16.946 1.364 430 1HE2 GLN 49 1HE2 GLN 49 -2.077 17.504 2.968 431 2HE2 GLN 49 2HE2 GLN 49 -1.137 18.927 3.099 432 QB GLN 49 QB GLN 49 -1.681 16.832 -0.528 433 QG GLN 49 QG GLN 49 -3.510 17.507 0.685 434 QE GLN 49 QE2 GLN 49 -1.607 18.215 3.034 435 H LEU 50 H LEU 50 -1.986 12.951 0.805 436 HA LEU 50 HA LEU 50 -0.363 12.080 -1.439 437 1HB LEU 50 2HB LEU 50 -0.978 11.174 1.308 438 2HB LEU 50 1HB LEU 50 -0.478 9.965 0.149 439 HG LEU 50 HG LEU 50 1.583 10.998 -0.137 440 1HD1 LEU 50 1HD1 LEU 50 0.659 13.201 1.694 441 2HD1 LEU 50 3HD1 LEU 50 2.309 13.007 1.109 442 3HD1 LEU 50 2HD1 LEU 50 1.005 13.340 -0.029 443 1HD2 LEU 50 2HD2 LEU 50 1.415 9.527 1.774 444 2HD2 LEU 50 1HD2 LEU 50 2.560 10.832 2.106 445 3HD2 LEU 50 3HD2 LEU 50 0.938 10.882 2.791 446 MD1 LEU 50 QD1 LEU 50 1.324 13.183 0.924 447 MD2 LEU 50 QD2 LEU 50 1.637 10.414 2.224 448 QB LEU 50 QB LEU 50 -0.728 10.569 0.728 449 QD LEU 50 QQD LEU 50 1.481 11.798 1.574 450 H THR 51 H THR 51 -1.031 10.573 -2.884 451 HA THR 51 HA THR 51 -3.683 9.431 -2.570 452 HB THR 51 HB THR 51 -3.921 9.726 -5.040 453 HG1 THR 51 1HG THR 51 -2.000 10.035 -5.974 454 1HG2 THR 51 1HG2 THR 51 -4.688 11.306 -3.400 455 2HG2 THR 51 3HG2 THR 51 -3.150 12.173 -3.503 456 3HG2 THR 51 2HG2 THR 51 -4.225 12.129 -4.925 457 MG THR 51 QG2 THR 51 -4.021 11.869 -3.943 458 H GLY 52 H GLY 52 -3.859 7.271 -3.908 459 1HA GLY 52 1HA GLY 52 -2.139 5.603 -2.552 460 2HA GLY 52 2HA GLY 52 -1.414 5.837 -4.140 461 QA GLY 52 QA GLY 52 -1.776 5.720 -3.346 462 H ALA 53 H ALA 53 -1.736 3.506 -3.874 463 HA ALA 53 HA ALA 53 -4.302 2.402 -3.871 464 1HB ALA 53 3HB ALA 53 -4.391 3.224 -6.213 465 2HB ALA 53 1HB ALA 53 -4.416 1.461 -6.139 466 3HB ALA 53 2HB ALA 53 -2.932 2.308 -6.573 467 MB ALA 53 QB ALA 53 -3.913 2.331 -6.309 468 H LEU 54 H LEU 54 -4.225 0.051 -3.919 469 HA LEU 54 HA LEU 54 -1.584 -1.053 -4.114 470 1HB LEU 54 2HB LEU 54 -1.502 -2.147 -2.012 471 2HB LEU 54 1HB LEU 54 -1.848 -0.473 -1.702 472 HG LEU 54 HG LEU 54 -4.297 -1.262 -1.388 473 1HD1 LEU 54 2HD1 LEU 54 -2.821 -3.887 -1.069 474 2HD1 LEU 54 1HD1 LEU 54 -4.485 -3.603 -0.568 475 3HD1 LEU 54 3HD1 LEU 54 -4.050 -3.523 -2.274 476 1HD2 LEU 54 2HD2 LEU 54 -2.857 -0.432 0.393 477 2HD2 LEU 54 1HD2 LEU 54 -3.836 -1.793 0.957 478 3HD2 LEU 54 3HD2 LEU 54 -2.133 -2.026 0.562 479 MD1 LEU 54 QD1 LEU 54 -3.785 -3.671 -1.303 480 MD2 LEU 54 QD2 LEU 54 -2.942 -1.417 0.637 481 QB LEU 54 QB LEU 54 -1.675 -1.310 -1.857 482 QD LEU 54 QQD LEU 54 -3.364 -2.544 -0.333 483 H PHE 55 H PHE 55 -1.475 -3.123 -4.591 484 HA PHE 55 HA PHE 55 -4.005 -4.423 -5.287 485 1HB PHE 55 2HB PHE 55 -1.373 -4.542 -6.790 486 2HB PHE 55 1HB PHE 55 -2.820 -5.457 -7.190 487 HD1 PHE 55 1HD PHE 55 -4.900 -4.160 -7.868 488 HD2 PHE 55 2HD PHE 55 -1.037 -2.390 -7.649 489 HE1 PHE 55 1HE PHE 55 -5.662 -2.335 -9.330 490 HE2 PHE 55 2HE PHE 55 -1.793 -0.556 -9.102 491 HZ PHE 55 HZ PHE 55 -4.105 -0.526 -9.945 492 QB PHE 55 QB PHE 55 -2.096 -5.000 -6.990 493 QD PHE 55 QD PHE 55 -2.969 -3.275 -7.759 494 QE PHE 55 QE PHE 55 -3.727 -1.445 -9.216 495 QR PHE 55 QR PHE 55 -3.499 -1.993 -8.779 496 H TYR 56 H TYR 56 -4.233 -6.000 -3.868 497 HA TYR 56 HA TYR 56 -1.876 -7.456 -2.930 498 1HB TYR 56 2HB TYR 56 -3.532 -6.556 -1.262 499 2HB TYR 56 1HB TYR 56 -4.792 -7.549 -1.927 500 HD1 TYR 56 1HD TYR 56 -3.086 -10.156 -2.192 501 HD2 TYR 56 2HD TYR 56 -3.507 -7.300 0.939 502 HE1 TYR 56 1HE TYR 56 -2.510 -11.883 -0.549 503 HE2 TYR 56 2HE TYR 56 -2.917 -9.028 2.586 504 HH TYR 56 HH TYR 56 -2.973 -11.470 2.777 505 QB TYR 56 QB TYR 56 -4.162 -7.053 -1.594 506 QD TYR 56 QD TYR 56 -3.296 -8.728 -0.627 507 QE TYR 56 QE TYR 56 -2.713 -10.455 1.019 508 QR TYR 56 QR TYR 56 -3.005 -9.592 0.196 509 H SER 57 H SER 57 -1.409 -9.021 -4.402 510 HA SER 57 HA SER 57 -3.652 -10.457 -5.624 511 1HB SER 57 2HB SER 57 -0.899 -9.938 -6.764 512 2HB SER 57 1HB SER 57 -2.227 -10.756 -7.582 513 HG SER 57 HG SER 57 -3.234 -8.913 -7.875 514 QB SER 57 QB SER 57 -1.563 -10.347 -7.173 515 H GLN 58 H GLN 58 -3.753 -12.116 -4.114 516 HA GLN 58 HA GLN 58 -3.392 -14.173 -3.304 517 1HB GLN 58 2HB GLN 58 -2.741 -14.770 -5.598 518 2HB GLN 58 1HB GLN 58 -1.089 -14.282 -5.268 519 1HG GLN 58 2HG GLN 58 -0.953 -16.068 -3.562 520 2HG GLN 58 1HG GLN 58 -2.575 -16.579 -4.022 521 1HE2 GLN 58 1HE2 GLN 58 -0.102 -18.026 -4.154 522 2HE2 GLN 58 2HE2 GLN 58 0.122 -18.506 -5.799 523 QB GLN 58 QB GLN 58 -1.915 -14.526 -5.433 524 QG GLN 58 QG GLN 58 -1.764 -16.324 -3.792 525 QE GLN 58 QE2 GLN 58 0.010 -18.266 -4.977 526 H GLY 59 H GLY 59 -0.064 -13.205 -3.881 527 1HA GLY 59 1HA GLY 59 1.476 -14.001 -2.017 528 2HA GLY 59 2HA GLY 59 0.355 -13.139 -0.970 529 QA GLY 59 QA GLY 59 0.915 -13.570 -1.494 530 H VAL 60 H VAL 60 1.361 -12.041 -4.194 531 HA VAL 60 HA VAL 60 3.221 -10.234 -3.075 532 HB VAL 60 HB VAL 60 3.487 -9.254 -5.322 533 1HG1 VAL 60 3HG1 VAL 60 3.567 -12.252 -5.290 534 2HG1 VAL 60 2HG1 VAL 60 4.372 -11.226 -6.468 535 3HG1 VAL 60 1HG1 VAL 60 4.832 -11.140 -4.766 536 1HG2 VAL 60 2HG2 VAL 60 1.333 -11.202 -6.187 537 2HG2 VAL 60 1HG2 VAL 60 1.206 -9.446 -6.176 538 3HG2 VAL 60 3HG2 VAL 60 2.330 -10.238 -7.279 539 MG1 VAL 60 QG1 VAL 60 4.257 -11.539 -5.508 540 MG2 VAL 60 QG2 VAL 60 1.623 -10.295 -6.547 541 QG VAL 60 QQG VAL 60 2.940 -10.917 -6.028 542 H PHE 61 H PHE 61 2.748 -8.663 -1.950 543 HA PHE 61 HA PHE 61 0.229 -7.209 -2.171 544 1HB PHE 61 2HB PHE 61 1.347 -8.351 -0.223 545 2HB PHE 61 1HB PHE 61 2.547 -7.109 -0.294 546 HD1 PHE 61 1HD PHE 61 2.167 -6.839 1.982 547 HD2 PHE 61 2HD PHE 61 -0.958 -6.074 -0.790 548 HE1 PHE 61 1HE PHE 61 0.979 -5.792 3.727 549 HE2 PHE 61 2HE PHE 61 -2.251 -4.924 1.024 550 HZ PHE 61 HZ PHE 61 -1.242 -4.788 3.289 551 QB PHE 61 QB PHE 61 1.947 -7.730 -0.258 552 QD PHE 61 QD PHE 61 0.605 -6.456 0.596 553 QE PHE 61 QE PHE 61 -0.636 -5.358 2.375 554 QR PHE 61 QR PHE 61 -0.261 -5.683 1.846 555 H PHE 62 H PHE 62 0.497 -5.537 -3.722 556 HA PHE 62 HA PHE 62 3.078 -4.125 -3.736 557 1HB PHE 62 2HB PHE 62 2.559 -5.245 -5.866 558 2HB PHE 62 1HB PHE 62 1.017 -4.406 -5.949 559 HD1 PHE 62 1HD PHE 62 0.916 -2.049 -6.606 560 HD2 PHE 62 2HD PHE 62 4.636 -4.107 -6.355 561 HE1 PHE 62 1HE PHE 62 1.998 -0.241 -7.867 562 HE2 PHE 62 2HE PHE 62 5.722 -2.289 -7.610 563 HZ PHE 62 HZ PHE 62 4.406 -0.359 -8.367 564 QB PHE 62 QB PHE 62 1.788 -4.826 -5.908 565 QD PHE 62 QD PHE 62 2.776 -3.078 -6.480 566 QE PHE 62 QE PHE 62 3.860 -1.265 -7.738 567 QR PHE 62 QR PHE 62 3.535 -1.809 -7.361 568 H GLN 63 H GLN 63 2.994 -2.084 -2.935 569 HA GLN 63 HA GLN 63 0.557 -0.567 -3.335 570 1HB GLN 63 2HB GLN 63 0.449 -1.576 -1.024 571 2HB GLN 63 1HB GLN 63 1.935 -0.728 -0.638 572 1HG GLN 63 2HG GLN 63 -0.358 0.870 -1.638 573 2HG GLN 63 1HG GLN 63 -0.468 0.252 -0.001 574 1HE2 GLN 63 1HE2 GLN 63 -0.362 2.964 -1.015 575 2HE2 GLN 63 2HE2 GLN 63 1.013 3.702 -0.285 576 QB GLN 63 QB GLN 63 1.192 -1.152 -0.831 577 QG GLN 63 QG GLN 63 -0.413 0.561 -0.820 578 QE GLN 63 QE2 GLN 63 0.325 3.333 -0.650 579 H TRP 64 H TRP 64 0.926 1.524 -3.801 580 HA TRP 64 HA TRP 64 3.509 2.549 -3.139 581 1HB TRP 64 2HB TRP 64 4.028 3.350 -5.284 582 2HB TRP 64 1HB TRP 64 3.527 1.664 -5.556 583 HD1 TRP 64 HD TRP 64 3.474 4.919 -6.952 584 HE1 TRP 64 1HE TRP 64 1.617 5.261 -8.630 585 HE3 TRP 64 3HE TRP 64 0.551 0.919 -5.715 586 HZ2 TRP 64 2HZ TRP 64 -0.804 4.022 -9.358 587 HZ3 TRP 64 3HZ TRP 64 -1.559 0.614 -6.939 588 HH2 TRP 64 HH TRP 64 -2.195 2.112 -8.740 589 QB TRP 64 QB TRP 64 3.777 2.507 -5.420 590 H LEU 65 H LEU 65 3.401 5.028 -3.490 591 HA LEU 65 HA LEU 65 0.696 6.057 -3.543 592 1HB LEU 65 2HB LEU 65 0.874 7.293 -1.492 593 2HB LEU 65 1HB LEU 65 1.051 5.586 -1.170 594 HG LEU 65 HG LEU 65 3.427 7.335 -1.476 595 1HD1 LEU 65 2HD1 LEU 65 1.805 6.805 1.018 596 2HD1 LEU 65 1HD1 LEU 65 3.379 7.615 0.978 597 3HD1 LEU 65 3HD1 LEU 65 1.984 8.356 0.196 598 1HD2 LEU 65 3HD2 LEU 65 3.824 4.928 -1.451 599 2HD2 LEU 65 2HD2 LEU 65 4.473 5.669 0.013 600 3HD2 LEU 65 1HD2 LEU 65 2.951 4.781 0.074 601 MD1 LEU 65 QD1 LEU 65 2.389 7.592 0.731 602 MD2 LEU 65 QD2 LEU 65 3.749 5.126 -0.455 603 QB LEU 65 QB LEU 65 0.963 6.440 -1.331 604 QD LEU 65 QQD LEU 65 3.069 6.359 0.138 605 H GLU 66 H GLU 66 0.536 8.205 -3.912 606 HA GLU 66 HA GLU 66 2.870 9.506 -5.147 607 1HB GLU 66 2HB GLU 66 -0.044 10.283 -5.276 608 2HB GLU 66 1HB GLU 66 1.277 10.798 -6.298 609 1HG GLU 66 2HG GLU 66 1.275 8.696 -7.459 610 2HG GLU 66 1HG GLU 66 0.073 8.042 -6.337 611 QB GLU 66 QB GLU 66 0.616 10.540 -5.787 612 QG GLU 66 QG GLU 66 0.674 8.369 -6.898 613 H GLY 67 H GLY 67 3.672 11.169 -3.804 614 1HA GLY 67 1HA GLY 67 2.683 11.862 -1.367 615 2HA GLY 67 2HA GLY 67 1.808 12.897 -2.496 616 QA GLY 67 QA GLY 67 2.245 12.379 -1.931 617 H HIS 68 H HIS 68 3.128 14.473 -0.994 618 HA HIS 68 HA HIS 68 5.454 15.361 -2.407 619 1HB HIS 68 2HB HIS 68 4.196 17.092 -1.231 620 2HB HIS 68 1HB HIS 68 4.305 16.232 0.278 621 HD1 HIS 68 1HD HIS 68 6.283 16.606 1.745 622 HD2 HIS 68 2HD HIS 68 6.379 18.307 -1.938 623 HE1 HIS 68 1HE HIS 68 8.444 17.817 1.781 624 HE2 HIS 68 2HE HIS 68 8.308 19.252 -0.308 625 QB HIS 68 QB HIS 68 4.250 16.662 -0.477 626 HA PRO 69 HA PRO 69 8.558 12.402 -1.371 627 1HB PRO 69 2HB PRO 69 10.319 14.486 -0.385 628 2HB PRO 69 1HB PRO 69 10.485 13.468 -1.816 629 1HG PRO 69 2HG PRO 69 9.408 16.180 -1.581 630 2HG PRO 69 1HG PRO 69 9.910 15.299 -3.033 631 1HD PRO 69 2HD PRO 69 7.351 15.896 -2.532 632 2HD PRO 69 1HD PRO 69 7.799 14.382 -3.345 633 QB PRO 69 QB PRO 69 10.402 13.977 -1.101 634 QG PRO 69 QG PRO 69 9.659 15.740 -2.307 635 QD PRO 69 QD PRO 69 7.575 15.139 -2.938 636 H ALA 70 H ALA 70 8.552 14.915 1.148 637 HA ALA 70 HA ALA 70 9.533 13.006 3.009 638 1HB ALA 70 3HB ALA 70 10.179 15.289 3.263 639 2HB ALA 70 1HB ALA 70 9.317 14.688 4.686 640 3HB ALA 70 2HB ALA 70 8.474 15.740 3.500 641 MB ALA 70 QB ALA 70 9.323 15.239 3.817 642 H ALA 71 H ALA 71 6.403 13.998 2.219 643 HA ALA 71 HA ALA 71 5.171 13.027 4.575 644 1HB ALA 71 1HB ALA 71 4.219 13.194 1.805 645 2HB ALA 71 3HB ALA 71 3.133 13.101 3.199 646 3HB ALA 71 2HB ALA 71 4.153 14.555 2.952 647 MB ALA 71 QB ALA 71 3.835 13.617 2.652 648 H VAL 72 H VAL 72 6.063 11.856 1.468 649 HA VAL 72 HA VAL 72 4.886 9.293 1.510 650 HB VAL 72 HB VAL 72 7.499 9.752 0.110 651 1HG1 VAL 72 3HG1 VAL 72 6.320 7.655 -0.107 652 2HG1 VAL 72 2HG1 VAL 72 4.932 8.605 -0.697 653 3HG1 VAL 72 1HG1 VAL 72 6.444 8.566 -1.651 654 1HG2 VAL 72 3HG2 VAL 72 4.921 10.973 -0.770 655 2HG2 VAL 72 2HG2 VAL 72 6.423 11.799 -0.260 656 3HG2 VAL 72 1HG2 VAL 72 6.400 10.831 -1.742 657 MG1 VAL 72 QG1 VAL 72 5.898 8.275 -0.818 658 MG2 VAL 72 QG2 VAL 72 5.914 11.201 -0.924 659 QG VAL 72 QQG VAL 72 5.906 9.738 -0.871 660 H ALA 73 H ALA 73 8.071 10.560 2.285 661 HA ALA 73 HA ALA 73 9.180 8.132 3.116 662 1HB ALA 73 2HB ALA 73 9.927 10.903 3.865 663 2HB ALA 73 1HB ALA 73 10.872 9.379 4.113 664 3HB ALA 73 3HB ALA 73 10.530 9.953 2.471 665 MB ALA 73 QB ALA 73 10.443 10.079 3.483 666 H GLU 74 H GLU 74 7.421 10.554 4.768 667 HA GLU 74 HA GLU 74 7.852 9.665 7.454 668 1HB GLU 74 2HB GLU 74 6.944 11.938 6.552 669 2HB GLU 74 1HB GLU 74 5.411 11.126 6.377 670 1HG GLU 74 2HG GLU 74 6.862 11.455 9.001 671 2HG GLU 74 1HG GLU 74 5.677 12.592 8.384 672 QB GLU 74 QB GLU 74 6.178 11.532 6.464 673 QG GLU 74 QG GLU 74 6.269 12.023 8.692 674 H VAL 75 H VAL 75 5.535 8.732 4.923 675 HA VAL 75 HA VAL 75 4.564 6.886 6.821 676 HB VAL 75 HB VAL 75 3.138 7.866 4.936 677 1HG1 VAL 75 2HG1 VAL 75 4.492 5.722 3.346 678 2HG1 VAL 75 1HG1 VAL 75 3.026 6.586 2.870 679 3HG1 VAL 75 3HG1 VAL 75 4.547 7.459 3.051 680 1HG2 VAL 75 2HG2 VAL 75 3.202 4.962 5.525 681 2HG2 VAL 75 1HG2 VAL 75 2.327 6.234 6.384 682 3HG2 VAL 75 3HG2 VAL 75 1.845 5.786 4.735 683 MG1 VAL 75 QG1 VAL 75 4.021 6.589 3.089 684 MG2 VAL 75 QG2 VAL 75 2.458 5.661 5.548 685 QG VAL 75 QQG VAL 75 3.240 6.125 4.319 686 H MET 76 H MET 76 6.979 6.769 4.069 687 HA MET 76 HA MET 76 7.505 4.115 4.054 688 1HB MET 76 2HB MET 76 9.500 6.380 3.989 689 2HB MET 76 1HB MET 76 9.858 4.761 3.483 690 1HG MET 76 2HG MET 76 7.649 6.222 2.298 691 2HG MET 76 1HG MET 76 9.273 6.584 1.685 692 1HE MET 76 1HE MET 76 6.233 4.428 1.943 693 2HE MET 76 3HE MET 76 6.563 2.982 0.966 694 3HE MET 76 2HE MET 76 7.314 3.126 2.549 695 QB MET 76 QB MET 76 9.679 5.570 3.736 696 QG MET 76 QG MET 76 8.461 6.403 1.992 697 ME MET 76 QE MET 76 6.703 3.512 1.820 698 H SER 77 H SER 77 8.907 6.490 6.256 699 HA SER 77 HA SER 77 10.450 4.744 7.786 700 1HB SER 77 2HB SER 77 10.223 6.552 9.579 701 2HB SER 77 1HB SER 77 10.676 7.172 7.988 702 HG SER 77 HG SER 77 8.852 8.037 7.715 703 QB SER 77 QB SER 77 10.450 6.862 8.783 704 H HIS 78 H HIS 78 7.087 5.595 8.262 705 HA HIS 78 HA HIS 78 6.710 3.827 10.508 706 1HB HIS 78 2HB HIS 78 4.659 4.782 8.492 707 2HB HIS 78 1HB HIS 78 4.268 3.811 9.898 708 HD1 HIS 78 1HD HIS 78 2.809 5.569 10.990 709 HD2 HIS 78 2HD HIS 78 6.647 6.888 10.212 710 HE1 HIS 78 1HE HIS 78 2.918 7.855 11.934 711 HE2 HIS 78 2HE HIS 78 5.032 8.713 10.926 712 QB HIS 78 QB HIS 78 4.464 4.297 9.195 713 H ILE 79 H ILE 79 6.003 3.403 7.113 714 HA ILE 79 HA ILE 79 4.949 0.845 7.157 715 HB ILE 79 HB ILE 79 5.948 2.735 5.154 716 1HG1 ILE 79 2HG1 ILE 79 3.369 1.197 5.418 717 2HG1 ILE 79 1HG1 ILE 79 3.664 2.850 5.939 718 1HG2 ILE 79 2HG2 ILE 79 5.787 -0.148 4.495 719 2HG2 ILE 79 1HG2 ILE 79 5.431 1.116 3.278 720 3HG2 ILE 79 3HG2 ILE 79 6.988 1.050 4.090 721 1HD1 ILE 79 1HD1 ILE 79 4.035 3.483 3.585 722 2HD1 ILE 79 3HD1 ILE 79 3.632 1.832 3.106 723 3HD1 ILE 79 2HD1 ILE 79 2.426 2.846 3.901 724 MG ILE 79 QG2 ILE 79 6.069 0.673 3.954 725 MD ILE 79 QD1 ILE 79 3.364 2.720 3.531 726 QG ILE 79 QG1 ILE 79 3.517 2.023 5.678 727 H GLN 80 H GLN 80 8.283 1.796 6.310 728 HA GLN 80 HA GLN 80 9.312 -0.639 5.712 729 1HB GLN 80 2HB GLN 80 10.567 1.886 6.704 730 2HB GLN 80 1HB GLN 80 11.497 0.495 6.130 731 1HG GLN 80 2HG GLN 80 9.452 2.020 4.443 732 2HG GLN 80 1HG GLN 80 11.164 2.066 4.274 733 1HE2 GLN 80 1HE2 GLN 80 8.490 0.070 3.937 734 2HE2 GLN 80 2HE2 GLN 80 9.439 -1.084 3.037 735 QB GLN 80 QB GLN 80 11.032 1.190 6.417 736 QG GLN 80 QG GLN 80 10.308 2.043 4.358 737 QE GLN 80 QE2 GLN 80 8.965 -0.507 3.487 738 H ARG 81 H ARG 81 8.740 0.619 8.834 739 HA ARG 81 HA ARG 81 10.365 -1.158 10.311 740 1HB ARG 81 2HB ARG 81 7.653 0.007 10.960 741 2HB ARG 81 1HB ARG 81 8.685 -0.818 12.124 742 1HG ARG 81 2HG ARG 81 10.275 0.835 12.110 743 2HG ARG 81 1HG ARG 81 9.699 1.531 10.600 744 1HD ARG 81 2HD ARG 81 9.103 2.936 12.498 745 2HD ARG 81 1HD ARG 81 7.682 2.292 11.695 746 HE ARG 81 HE ARG 81 8.376 0.603 13.812 747 1HH1 ARG 81 1HH1 ARG 81 7.294 3.935 13.359 748 2HH1 ARG 81 2HH1 ARG 81 6.275 3.920 14.735 749 1HH2 ARG 81 1HH2 ARG 81 6.985 0.662 15.776 750 2HH2 ARG 81 2HH2 ARG 81 6.130 2.118 16.080 751 QB ARG 81 QB ARG 81 8.169 -0.405 11.542 752 QG ARG 81 QG ARG 81 9.987 1.183 11.355 753 QD ARG 81 QD ARG 81 8.393 2.614 12.096 754 QH1 ARG 81 QH1 ARG 81 6.785 3.927 14.047 755 QH2 ARG 81 QH2 ARG 81 6.558 1.390 15.928 756 H ASP 82 H ASP 82 7.274 -1.499 8.820 757 HA ASP 82 HA ASP 82 5.845 -3.101 8.292 758 1HB ASP 82 2HB ASP 82 7.795 -3.923 7.248 759 2HB ASP 82 1HB ASP 82 8.067 -5.131 8.535 760 QB ASP 82 QB ASP 82 7.931 -4.527 7.892 761 H ARG 83 H ARG 83 4.756 -5.024 8.876 762 HA ARG 83 HA ARG 83 4.282 -5.797 11.478 763 1HB ARG 83 2HB ARG 83 2.631 -3.924 12.145 764 2HB ARG 83 1HB ARG 83 4.351 -3.556 12.280 765 1HG ARG 83 2HG ARG 83 4.180 -2.593 9.952 766 2HG ARG 83 1HG ARG 83 2.426 -2.609 10.144 767 1HD ARG 83 2HD ARG 83 4.456 -1.118 11.828 768 2HD ARG 83 1HD ARG 83 3.268 -0.436 10.737 769 HE ARG 83 HE ARG 83 1.609 -1.505 12.389 770 1HH1 ARG 83 1HH1 ARG 83 4.771 -0.369 13.450 771 2HH1 ARG 83 2HH1 ARG 83 4.170 0.429 14.834 772 1HH2 ARG 83 1HH2 ARG 83 0.796 -0.384 14.296 773 2HH2 ARG 83 2HH2 ARG 83 1.901 0.485 15.278 774 QB ARG 83 QB ARG 83 3.491 -3.740 12.213 775 QG ARG 83 QG ARG 83 3.303 -2.601 10.048 776 QD ARG 83 QD ARG 83 3.862 -0.777 11.283 777 QH1 ARG 83 QH1 ARG 83 4.470 0.030 14.142 778 QH2 ARG 83 QH2 ARG 83 1.349 0.051 14.787 779 H ARG 84 H ARG 84 3.014 -4.385 8.535 780 HA ARG 84 HA ARG 84 0.768 -6.275 8.575 781 1HB ARG 84 2HB ARG 84 0.713 -3.411 7.711 782 2HB ARG 84 1HB ARG 84 -0.615 -4.552 7.530 783 1HG ARG 84 2HG ARG 84 -0.701 -4.800 9.945 784 2HG ARG 84 1HG ARG 84 0.620 -3.655 10.100 785 1HD ARG 84 2HD ARG 84 -0.713 -1.947 9.025 786 2HD ARG 84 1HD ARG 84 -2.044 -3.096 8.857 787 HE ARG 84 HE ARG 84 -1.397 -3.171 11.462 788 1HH1 ARG 84 1HH1 ARG 84 -2.465 -0.644 9.213 789 2HH1 ARG 84 2HH1 ARG 84 -3.299 0.234 10.447 790 1HH2 ARG 84 1HH2 ARG 84 -2.478 -1.843 13.107 791 2HH2 ARG 84 2HH2 ARG 84 -3.234 -0.389 12.610 792 QB ARG 84 QB ARG 84 0.049 -3.981 7.620 793 QG ARG 84 QG ARG 84 -0.040 -4.227 10.022 794 QD ARG 84 QD ARG 84 -1.379 -2.522 8.941 795 QH1 ARG 84 QH1 ARG 84 -2.882 -0.205 9.830 796 QH2 ARG 84 QH2 ARG 84 -2.856 -1.116 12.858 797 H HIS 85 H HIS 85 3.463 -6.322 7.132 798 HA HIS 85 HA HIS 85 2.364 -6.955 4.566 799 1HB HIS 85 2HB HIS 85 5.049 -5.848 4.250 800 2HB HIS 85 1HB HIS 85 3.624 -5.496 3.307 801 HD1 HIS 85 1HD HIS 85 3.419 -2.989 3.159 802 HD2 HIS 85 2HD HIS 85 4.955 -4.193 6.836 803 HE1 HIS 85 1HE HIS 85 4.108 -0.948 4.361 804 HE2 HIS 85 2HE HIS 85 5.196 -1.784 6.421 805 QB HIS 85 QB HIS 85 4.337 -5.672 3.779 806 H SER 86 H SER 86 4.924 -7.729 3.619 807 HA SER 86 HA SER 86 5.634 -9.426 5.886 808 1HB SER 86 2HB SER 86 4.562 -10.367 3.771 809 2HB SER 86 1HB SER 86 6.167 -10.313 3.126 810 HG SER 86 HG SER 86 6.905 -11.460 5.065 811 QB SER 86 QB SER 86 5.364 -10.340 3.448 812 H ASN 87 H ASN 87 6.861 -7.000 4.171 813 HA ASN 87 HA ASN 87 9.609 -7.632 4.631 814 1HB ASN 87 2HB ASN 87 8.980 -7.240 1.713 815 2HB ASN 87 1HB ASN 87 10.533 -7.593 2.417 816 1HD2 ASN 87 1HD2 ASN 87 9.543 -9.977 3.855 817 2HD2 ASN 87 2HD2 ASN 87 9.228 -11.135 2.623 818 QB ASN 87 QB ASN 87 9.757 -7.416 2.065 819 QD ASN 87 QD2 ASN 87 9.385 -10.556 3.239 820 H VAL 88 H VAL 88 7.586 -6.017 2.698 821 HA VAL 88 HA VAL 88 7.693 -4.310 1.416 822 HB VAL 88 HB VAL 88 6.340 -3.746 3.141 823 1HG1 VAL 88 3HG1 VAL 88 7.762 -3.784 4.930 824 2HG1 VAL 88 2HG1 VAL 88 8.500 -2.180 4.394 825 3HG1 VAL 88 1HG1 VAL 88 6.765 -2.276 4.828 826 1HG2 VAL 88 1HG2 VAL 88 6.535 -2.158 1.358 827 2HG2 VAL 88 3HG2 VAL 88 6.207 -1.333 2.870 828 3HG2 VAL 88 2HG2 VAL 88 7.824 -1.303 2.224 829 MG1 VAL 88 QG1 VAL 88 7.676 -2.747 4.718 830 MG2 VAL 88 QG2 VAL 88 6.855 -1.598 2.150 831 QG VAL 88 QQG VAL 88 7.265 -2.173 3.434 832 H GLU 89 H GLU 89 9.281 -4.492 0.204 833 HA GLU 89 HA GLU 89 11.388 -2.555 0.810 834 1HB GLU 89 2HB GLU 89 11.599 -5.147 -0.182 835 2HB GLU 89 1HB GLU 89 12.043 -4.096 -1.522 836 1HG GLU 89 2HG GLU 89 13.284 -4.160 1.241 837 2HG GLU 89 1HG GLU 89 13.982 -4.684 -0.286 838 QB GLU 89 QB GLU 89 11.821 -4.621 -0.852 839 QG GLU 89 QG GLU 89 13.633 -4.422 0.477 840 H ILE 90 H ILE 90 11.079 -0.831 0.057 841 HA ILE 90 HA ILE 90 9.326 0.147 -1.888 842 HB ILE 90 HB ILE 90 11.928 1.573 -1.455 843 1HG1 ILE 90 2HG1 ILE 90 11.377 0.797 0.759 844 2HG1 ILE 90 1HG1 ILE 90 11.045 2.518 0.650 845 1HG2 ILE 90 1HG2 ILE 90 9.044 2.516 -1.515 846 2HG2 ILE 90 3HG2 ILE 90 10.413 3.563 -1.312 847 3HG2 ILE 90 2HG2 ILE 90 10.188 2.736 -2.860 848 1HD1 ILE 90 3HD1 ILE 90 8.699 2.060 0.322 849 2HD1 ILE 90 2HD1 ILE 90 9.028 0.330 0.424 850 3HD1 ILE 90 1HD1 ILE 90 9.285 1.364 1.841 851 MG ILE 90 QG2 ILE 90 9.881 2.938 -1.896 852 MD ILE 90 QD1 ILE 90 9.004 1.251 0.862 853 QG ILE 90 QG1 ILE 90 11.211 1.658 0.705 854 H LEU 91 H LEU 91 12.631 0.260 -2.446 855 HA LEU 91 HA LEU 91 14.010 -0.325 -4.173 856 1HB LEU 91 2HB LEU 91 11.597 -1.660 -5.404 857 2HB LEU 91 1HB LEU 91 13.228 -1.769 -6.034 858 HG LEU 91 HG LEU 91 12.359 -2.820 -3.341 859 1HD1 LEU 91 3HD1 LEU 91 11.273 -4.029 -5.163 860 2HD1 LEU 91 2HD1 LEU 91 12.836 -4.273 -5.942 861 3HD1 LEU 91 1HD1 LEU 91 12.500 -5.026 -4.382 862 1HD2 LEU 91 1HD2 LEU 91 14.737 -2.234 -3.477 863 2HD2 LEU 91 3HD2 LEU 91 14.500 -3.976 -3.388 864 3HD2 LEU 91 2HD2 LEU 91 14.893 -3.225 -4.932 865 MD1 LEU 91 QD1 LEU 91 12.203 -4.442 -5.162 866 MD2 LEU 91 QD2 LEU 91 14.710 -3.145 -3.932 867 QB LEU 91 QB LEU 91 12.412 -1.715 -5.719 868 QD LEU 91 QQD LEU 91 13.456 -3.794 -4.547 869 H ALA 92 H ALA 92 10.946 1.140 -4.892 870 HA ALA 92 HA ALA 92 12.324 2.649 -7.010 871 1HB ALA 92 3HB ALA 92 10.865 1.020 -8.027 872 2HB ALA 92 1HB ALA 92 10.254 2.657 -8.297 873 3HB ALA 92 2HB ALA 92 9.521 1.626 -7.060 874 MB ALA 92 QB ALA 92 10.213 1.768 -7.795 875 H GLU 93 H GLU 93 12.393 4.725 -6.527 876 HA GLU 93 HA GLU 93 9.999 5.979 -5.441 877 1HB GLU 93 2HB GLU 93 12.812 6.635 -4.423 878 2HB GLU 93 1HB GLU 93 11.289 7.371 -3.951 879 1HG GLU 93 2HG GLU 93 10.508 5.507 -2.938 880 2HG GLU 93 1HG GLU 93 11.866 4.517 -3.487 881 QB GLU 93 QB GLU 93 12.051 7.003 -4.187 882 QG GLU 93 QG GLU 93 11.187 5.012 -3.212 883 H GLU 94 H GLU 94 9.413 7.274 -6.982 884 HA GLU 94 HA GLU 94 11.483 8.688 -8.507 885 1HB GLU 94 2HB GLU 94 9.889 8.537 -10.475 886 2HB GLU 94 1HB GLU 94 10.679 7.038 -10.005 887 1HG GLU 94 2HG GLU 94 8.653 6.324 -8.862 888 2HG GLU 94 1HG GLU 94 7.869 7.844 -9.272 889 QB GLU 94 QB GLU 94 10.284 7.787 -10.240 890 QG GLU 94 QG GLU 94 8.261 7.084 -9.067 891 H SER 95 H SER 95 11.075 10.802 -9.100 892 HA SER 95 HA SER 95 9.155 12.151 -7.462 893 1HB SER 95 2HB SER 95 11.100 13.217 -9.512 894 2HB SER 95 1HB SER 95 10.178 14.165 -8.332 895 HG SER 95 HG SER 95 11.673 12.057 -7.327 896 QB SER 95 QB SER 95 10.639 13.691 -8.922 897 H ILE 96 H ILE 96 7.242 12.613 -8.021 898 HA ILE 96 HA ILE 96 6.485 12.380 -10.875 899 HB ILE 96 HB ILE 96 4.314 11.805 -10.168 900 1HG1 ILE 96 2HG1 ILE 96 5.503 11.066 -7.517 901 2HG1 ILE 96 1HG1 ILE 96 4.716 12.614 -7.770 902 1HG2 ILE 96 2HG2 ILE 96 5.852 10.153 -11.030 903 2HG2 ILE 96 1HG2 ILE 96 6.540 9.914 -9.423 904 3HG2 ILE 96 3HG2 ILE 96 4.881 9.420 -9.748 905 1HD1 ILE 96 1HD1 ILE 96 3.360 9.993 -8.254 906 2HD1 ILE 96 3HD1 ILE 96 3.389 10.857 -6.710 907 3HD1 ILE 96 2HD1 ILE 96 2.681 11.648 -8.093 908 MG ILE 96 QG2 ILE 96 5.758 9.829 -10.067 909 MD ILE 96 QD1 ILE 96 3.143 10.832 -7.686 910 QG ILE 96 QG1 ILE 96 5.109 11.840 -7.644 911 H ALA 97 H ALA 97 4.320 13.223 -11.370 912 HA ALA 97 HA ALA 97 4.076 15.907 -10.284 913 1HB ALA 97 1HB ALA 97 4.373 15.754 -12.725 914 2HB ALA 97 2HB ALA 97 2.789 16.439 -12.241 915 3HB ALA 97 3HB ALA 97 2.904 14.755 -12.760 916 MB ALA 97 QB ALA 97 3.356 15.649 -12.575 917 H LYS 98 H LYS 98 3.023 13.123 -9.945 918 HA LYS 98 HA LYS 98 1.207 11.993 -9.126 919 1HB LYS 98 2HB LYS 98 2.104 13.678 -7.565 920 2HB LYS 98 1HB LYS 98 0.732 14.655 -8.015 921 1HG LYS 98 2HG LYS 98 0.007 12.005 -7.246 922 2HG LYS 98 1HG LYS 98 1.028 12.859 -6.102 923 1HD LYS 98 2HD LYS 98 -0.961 14.580 -7.056 924 2HD LYS 98 1HD LYS 98 -1.687 13.137 -6.273 925 1HE LYS 98 2HE LYS 98 -0.166 13.409 -4.542 926 2HE LYS 98 1HE LYS 98 0.466 14.876 -5.318 927 1HZ LYS 98 2HZ LYS 98 -2.420 14.677 -4.589 928 2HZ LYS 98 1HZ LYS 98 -1.309 15.291 -3.483 929 3HZ LYS 98 3HZ LYS 98 -1.542 16.040 -4.974 930 QB LYS 98 QB LYS 98 1.418 14.167 -7.790 931 QD LYS 98 QD LYS 98 -1.324 13.859 -6.664 932 QG LYS 98 QG LYS 98 0.518 12.432 -6.674 933 QE LYS 98 QE LYS 98 0.150 14.143 -4.930 934 QZ LYS 98 QZ LYS 98 -1.757 15.336 -4.348 935 H ARG 99 H ARG 99 -1.219 12.778 -8.495 936 HA ARG 99 HA ARG 99 -3.295 13.514 -9.065 937 1HB ARG 99 2HB ARG 99 -2.161 15.508 -10.154 938 2HB ARG 99 1HB ARG 99 -2.059 14.606 -11.636 939 1HG ARG 99 2HG ARG 99 -3.869 16.148 -11.826 940 2HG ARG 99 1HG ARG 99 -4.562 14.534 -11.674 941 1HD ARG 99 2HD ARG 99 -5.010 14.918 -9.327 942 2HD ARG 99 1HD ARG 99 -4.231 16.498 -9.418 943 HE ARG 99 HE ARG 99 -6.445 16.098 -11.222 944 1HH1 ARG 99 1HH1 ARG 99 -5.409 17.362 -8.059 945 2HH1 ARG 99 2HH1 ARG 99 -6.808 18.296 -7.849 946 1HH2 ARG 99 1HH2 ARG 99 -8.351 17.439 -10.898 947 2HH2 ARG 99 2HH2 ARG 99 -8.465 18.369 -9.463 948 QB ARG 99 QB ARG 99 -2.110 15.057 -10.895 949 QG ARG 99 QG ARG 99 -4.215 15.341 -11.750 950 QD ARG 99 QD ARG 99 -4.620 15.708 -9.373 951 QH1 ARG 99 QH1 ARG 99 -6.108 17.829 -7.954 952 QH2 ARG 99 QH2 ARG 99 -8.408 17.904 -10.181 953 H ARG 100 H ARG 100 -1.934 11.033 -9.699 954 HA ARG 100 HA ARG 100 -3.247 10.124 -12.081 955 1HB ARG 100 2HB ARG 100 -1.582 8.713 -10.037 956 2HB ARG 100 1HB ARG 100 -2.120 8.028 -11.568 957 1HG ARG 100 2HG ARG 100 -0.828 9.632 -12.796 958 2HG ARG 100 1HG ARG 100 -0.437 10.470 -11.275 959 1HD ARG 100 2HD ARG 100 1.403 8.955 -12.151 960 2HD ARG 100 1HD ARG 100 0.862 8.585 -10.512 961 HE ARG 100 HE ARG 100 -0.580 7.109 -12.457 962 1HH1 ARG 100 1HH1 ARG 100 2.626 7.112 -10.870 963 2HH1 ARG 100 2HH1 ARG 100 2.782 5.440 -10.900 964 1HH2 ARG 100 1HH2 ARG 100 -0.356 4.807 -12.441 965 2HH2 ARG 100 2HH2 ARG 100 1.045 4.081 -11.795 966 QB ARG 100 QB ARG 100 -1.851 8.370 -10.803 967 QG ARG 100 QG ARG 100 -0.632 10.051 -12.035 968 QD ARG 100 QD ARG 100 1.133 8.770 -11.332 969 QH1 ARG 100 QH1 ARG 100 2.704 6.276 -10.885 970 QH2 ARG 100 QH2 ARG 100 0.344 4.444 -12.118 971 H PHE 101 H PHE 101 -3.327 9.175 -8.599 972 HA PHE 101 HA PHE 101 -5.820 7.876 -9.326 973 1HB PHE 101 2HB PHE 101 -3.880 7.198 -7.144 974 2HB PHE 101 1HB PHE 101 -5.522 6.555 -7.132 975 HD1 PHE 101 1HD PHE 101 -6.030 4.652 -8.335 976 HD2 PHE 101 2HD PHE 101 -2.497 6.798 -9.297 977 HE1 PHE 101 1HE PHE 101 -5.396 2.888 -9.936 978 HE2 PHE 101 2HE PHE 101 -1.856 5.045 -10.889 979 HZ PHE 101 HZ PHE 101 -3.309 3.088 -11.212 980 QB PHE 101 QB PHE 101 -4.701 6.876 -7.138 981 QD PHE 101 QD PHE 101 -4.263 5.725 -8.816 982 QE PHE 101 QE PHE 101 -3.626 3.967 -10.412 983 QR PHE 101 QR PHE 101 -3.818 4.494 -9.934 984 H ALA 102 H ALA 102 -4.733 10.327 -7.679 985 HA ALA 102 HA ALA 102 -5.666 12.079 -6.519 986 1HB ALA 102 2HB ALA 102 -7.275 12.020 -8.415 987 2HB ALA 102 1HB ALA 102 -8.357 11.061 -7.406 988 3HB ALA 102 3HB ALA 102 -7.946 12.715 -6.937 989 MB ALA 102 QB ALA 102 -7.859 11.932 -7.586 990 H GLY 103 H GLY 103 -6.637 9.024 -5.576 991 1HA GLY 103 1HA GLY 103 -7.974 9.048 -3.295 992 2HA GLY 103 2HA GLY 103 -6.503 9.904 -2.816 993 QA GLY 103 QA GLY 103 -7.238 9.476 -3.055 994 H TRP 104 H TRP 104 -6.170 7.948 -1.413 995 HA TRP 104 HA TRP 104 -4.755 5.945 -2.902 996 1HB TRP 104 2HB TRP 104 -3.672 6.423 -0.837 997 2HB TRP 104 1HB TRP 104 -5.165 6.340 0.071 998 HD1 TRP 104 HD TRP 104 -2.270 4.135 -1.092 999 HE1 TRP 104 1HE TRP 104 -2.626 1.763 -0.103 1000 HE3 TRP 104 3HE TRP 104 -7.013 4.669 0.735 1001 HZ2 TRP 104 2HZ TRP 104 -4.708 0.370 1.272 1002 HZ3 TRP 104 3HZ TRP 104 -8.055 3.023 1.766 1003 HH2 TRP 104 HH TRP 104 -7.050 0.855 2.082 1004 QB TRP 104 QB TRP 104 -4.419 6.382 -0.383 1005 H HIS 105 H HIS 105 -5.357 3.957 -3.452 1006 HA HIS 105 HA HIS 105 -8.157 3.282 -2.896 1007 1HB HIS 105 2HB HIS 105 -6.398 3.009 -5.272 1008 2HB HIS 105 1HB HIS 105 -7.938 2.123 -5.185 1009 HD1 HIS 105 1HD HIS 105 -7.523 4.066 -7.463 1010 HD2 HIS 105 2HD HIS 105 -9.119 5.223 -3.815 1011 HE1 HIS 105 1HE HIS 105 -8.724 6.234 -7.900 1012 HE2 HIS 105 2HE HIS 105 -9.816 6.807 -5.695 1013 QB HIS 105 QB HIS 105 -7.168 2.566 -5.228 1014 H MET 106 H MET 106 -8.574 0.988 -2.880 1015 HA MET 106 HA MET 106 -6.213 -0.702 -2.586 1016 1HB MET 106 2HB MET 106 -7.035 -0.069 -0.306 1017 2HB MET 106 1HB MET 106 -8.591 -0.779 -0.701 1018 1HG MET 106 2HG MET 106 -7.580 -2.961 -0.923 1019 2HG MET 106 1HG MET 106 -5.982 -2.269 -0.664 1020 1HE MET 106 3HE MET 106 -6.814 -4.746 0.909 1021 2HE MET 106 2HE MET 106 -5.323 -3.925 1.347 1022 3HE MET 106 1HE MET 106 -6.517 -4.315 2.599 1023 QB MET 106 QB MET 106 -7.813 -0.424 -0.503 1024 QG MET 106 QG MET 106 -6.781 -2.615 -0.794 1025 ME MET 106 QE MET 106 -6.218 -4.329 1.618 1026 H GLN 107 H GLN 107 -6.406 -2.475 -3.813 1027 HA GLN 107 HA GLN 107 -8.671 -2.632 -5.510 1028 1HB GLN 107 2HB GLN 107 -6.354 -3.289 -6.174 1029 2HB GLN 107 1HB GLN 107 -6.518 -4.720 -5.168 1030 1HG GLN 107 2HG GLN 107 -6.909 -5.300 -7.475 1031 2HG GLN 107 1HG GLN 107 -8.404 -5.461 -6.568 1032 1HE2 GLN 107 1HE2 GLN 107 -7.922 -5.067 -9.422 1033 2HE2 GLN 107 2HE2 GLN 107 -8.827 -3.668 -9.867 1034 QB GLN 107 QB GLN 107 -6.436 -4.004 -5.671 1035 QG GLN 107 QG GLN 107 -7.657 -5.380 -7.021 1036 QE GLN 107 QE2 GLN 107 -8.375 -4.367 -9.645 1037 H LEU 108 H LEU 108 -7.476 -4.955 -3.076 1038 HA LEU 108 HA LEU 108 -10.145 -6.087 -3.069 1039 1HB LEU 108 2HB LEU 108 -7.933 -7.491 -3.016 1040 2HB LEU 108 1HB LEU 108 -7.833 -7.013 -1.341 1041 HG LEU 108 HG LEU 108 -8.699 -9.282 -1.544 1042 1HD1 LEU 108 3HD1 LEU 108 -9.546 -8.034 0.341 1043 2HD1 LEU 108 2HD1 LEU 108 -10.882 -7.435 -0.636 1044 3HD1 LEU 108 1HD1 LEU 108 -10.764 -9.156 -0.270 1045 1HD2 LEU 108 2HD2 LEU 108 -9.660 -9.147 -3.764 1046 2HD2 LEU 108 1HD2 LEU 108 -10.846 -9.765 -2.611 1047 3HD2 LEU 108 3HD2 LEU 108 -10.945 -8.096 -3.169 1048 MD1 LEU 108 QD1 LEU 108 -10.397 -8.208 -0.188 1049 MD2 LEU 108 QD2 LEU 108 -10.484 -9.003 -3.181 1050 QB LEU 108 QB LEU 108 -7.883 -7.252 -2.178 1051 QD LEU 108 QQD LEU 108 -10.440 -8.606 -1.685 1052 H SER 109 H SER 109 -10.887 -4.031 -2.337 1053 HA SER 109 HA SER 109 -10.451 -3.495 0.510 1054 1HB SER 109 2HB SER 109 -10.444 -1.631 -1.248 1055 2HB SER 109 1HB SER 109 -12.160 -1.946 -1.471 1056 HG SER 109 HG SER 109 -10.913 -1.198 0.957 1057 QB SER 109 QB SER 109 -11.302 -1.789 -1.359 1058 H CYS 110 H CYS 110 -12.458 -5.037 -1.706 1059 HA CYS 110 HA CYS 110 -14.307 -5.930 0.285 1060 1HB CYS 110 2HB CYS 110 -15.194 -4.652 -2.323 1061 2HB CYS 110 1HB CYS 110 -16.243 -5.454 -1.168 1062 HG CYS 110 HG CYS 110 -14.808 -3.237 0.587 1063 QB CYS 110 QB CYS 110 -15.719 -5.053 -1.746 1064 H SER 111 H SER 111 -15.160 -7.948 -0.458 1065 HA SER 111 HA SER 111 -13.511 -9.309 -2.334 1066 1HB SER 111 2HB SER 111 -16.048 -10.193 -0.938 1067 2HB SER 111 1HB SER 111 -14.885 -11.255 -1.728 1068 HG SER 111 HG SER 111 -14.825 -10.106 0.739 1069 QB SER 111 QB SER 111 -15.466 -10.724 -1.333 1070 H GLU 112 H GLU 112 -14.558 -10.595 -4.114 1071 HA GLU 112 HA GLU 112 -16.013 -8.843 -5.774 1072 1HB GLU 112 2HB GLU 112 -16.009 -10.779 -7.395 1073 2HB GLU 112 1HB GLU 112 -14.445 -10.146 -6.920 1074 1HG GLU 112 2HG GLU 112 -13.818 -12.241 -6.458 1075 2HG GLU 112 1HG GLU 112 -14.972 -12.247 -5.135 1076 QB GLU 112 QB GLU 112 -15.227 -10.462 -7.157 1077 QG GLU 112 QG GLU 112 -14.395 -12.244 -5.796 1078 H ALA 113 H ALA 113 -17.968 -8.346 -5.112 1079 HA ALA 113 HA ALA 113 -19.808 -10.436 -4.378 1080 1HB ALA 113 1HB ALA 113 -19.764 -8.339 -3.091 1081 2HB ALA 113 2HB ALA 113 -21.352 -8.649 -3.800 1082 3HB ALA 113 3HB ALA 113 -20.277 -7.464 -4.536 1083 MB ALA 113 QB ALA 113 -20.464 -8.151 -3.809 1084 H ASP 114 H ASP 114 -19.249 -8.304 -6.976 1085 HA ASP 114 HA ASP 114 -21.738 -9.094 -8.284 1086 1HB ASP 114 2HB ASP 114 -21.360 -7.384 -9.909 1087 2HB ASP 114 1HB ASP 114 -21.000 -6.717 -8.323 1088 QB ASP 114 QB ASP 114 -21.180 -7.050 -9.116 1089 H MET 115 H MET 115 -18.319 -9.597 -8.573 1090 HA MET 115 HA MET 115 -18.564 -10.912 -11.072 1091 1HB MET 115 2HB MET 115 -16.382 -11.541 -9.059 1092 2HB MET 115 1HB MET 115 -16.334 -11.754 -10.779 1093 1HG MET 115 2HG MET 115 -16.237 -9.380 -11.166 1094 2HG MET 115 1HG MET 115 -16.427 -9.060 -9.442 1095 1HE MET 115 1HE MET 115 -14.044 -7.715 -10.971 1096 2HE MET 115 3HE MET 115 -14.223 -7.595 -9.221 1097 3HE MET 115 2HE MET 115 -12.676 -8.061 -9.908 1098 QB MET 115 QB MET 115 -16.358 -11.648 -9.919 1099 QG MET 115 QG MET 115 -16.332 -9.220 -10.304 1100 ME MET 115 QE MET 115 -13.648 -7.790 -10.033 1101 H ARG 116 H ARG 116 -17.946 -12.090 -7.748 1102 HA ARG 116 HA ARG 116 -18.529 -13.795 -6.533 1103 1HB ARG 116 2HB ARG 116 -20.896 -14.572 -6.580 1104 2HB ARG 116 1HB ARG 116 -20.736 -12.831 -6.509 1105 1HG ARG 116 2HG ARG 116 -21.243 -12.737 -8.916 1106 2HG ARG 116 1HG ARG 116 -21.455 -14.486 -8.913 1107 1HD ARG 116 2HD ARG 116 -23.293 -14.297 -7.354 1108 2HD ARG 116 1HD ARG 116 -23.038 -12.554 -7.229 1109 HE ARG 116 HE ARG 116 -23.366 -13.002 -9.869 1110 1HH1 ARG 116 1HH1 ARG 116 -25.361 -13.650 -7.011 1111 2HH1 ARG 116 2HH1 ARG 116 -26.829 -13.511 -7.843 1112 1HH2 ARG 116 1HH2 ARG 116 -25.349 -12.746 -10.977 1113 2HH2 ARG 116 2HH2 ARG 116 -26.836 -12.979 -10.153 1114 QB ARG 116 QB ARG 116 -20.816 -13.701 -6.544 1115 QG ARG 116 QG ARG 116 -21.349 -13.612 -8.914 1116 QD ARG 116 QD ARG 116 -23.165 -13.425 -7.292 1117 QH1 ARG 116 QH1 ARG 116 -26.095 -13.580 -7.427 1118 QH2 ARG 116 QH2 ARG 116 -26.092 -12.863 -10.565 1119 H SER 117 H SER 117 -17.010 -14.375 -8.630 1120 HA SER 117 HA SER 117 -17.928 -16.985 -9.528 1121 1HB SER 117 2HB SER 117 -16.063 -16.723 -11.215 1122 2HB SER 117 1HB SER 117 -17.428 -15.624 -11.385 1123 HG SER 117 HG SER 117 -15.583 -14.459 -9.784 1124 QB SER 117 QB SER 117 -16.745 -16.173 -11.300 1125 H LEU 118 H LEU 118 -16.028 -15.658 -7.148 1126 HA LEU 118 HA LEU 118 -14.746 -18.256 -6.888 1127 1HB LEU 118 2HB LEU 118 -12.646 -17.258 -6.123 1128 2HB LEU 118 1HB LEU 118 -13.011 -16.923 -7.803 1129 HG LEU 118 HG LEU 118 -13.897 -14.641 -6.808 1130 1HD1 LEU 118 1HD1 LEU 118 -11.902 -15.483 -4.716 1131 2HD1 LEU 118 3HD1 LEU 118 -12.561 -13.861 -4.923 1132 3HD1 LEU 118 2HD1 LEU 118 -13.629 -15.193 -4.476 1133 1HD2 LEU 118 3HD2 LEU 118 -10.973 -15.282 -7.153 1134 2HD2 LEU 118 2HD2 LEU 118 -12.105 -14.837 -8.424 1135 3HD2 LEU 118 1HD2 LEU 118 -11.674 -13.665 -7.178 1136 MD1 LEU 118 QD1 LEU 118 -12.697 -14.846 -4.705 1137 MD2 LEU 118 QD2 LEU 118 -11.584 -14.595 -7.585 1138 QB LEU 118 QB LEU 118 -12.829 -17.090 -6.963 1139 QD LEU 118 QQD LEU 118 -12.141 -14.720 -6.145 1140 H GLY 119 H GLY 119 -15.932 -15.386 -5.273 1141 1HA GLY 119 1HA GLY 119 -16.659 -15.121 -3.112 1142 2HA GLY 119 2HA GLY 119 -15.589 -16.446 -2.651 1143 QA GLY 119 QA GLY 119 -16.124 -15.783 -2.882 1144 H LEU 120 H LEU 120 -17.988 -16.598 -5.100 1145 HA LEU 120 HA LEU 120 -19.687 -18.233 -3.357 1146 1HB LEU 120 2HB LEU 120 -20.348 -16.732 -5.855 1147 2HB LEU 120 1HB LEU 120 -21.354 -18.057 -5.314 1148 HG LEU 120 HG LEU 120 -21.711 -16.813 -3.165 1149 1HD1 LEU 120 3HD1 LEU 120 -20.336 -14.551 -4.591 1150 2HD1 LEU 120 2HD1 LEU 120 -21.244 -14.414 -3.088 1151 3HD1 LEU 120 1HD1 LEU 120 -19.777 -15.386 -3.145 1152 1HD2 LEU 120 2HD2 LEU 120 -22.570 -15.443 -5.703 1153 2HD2 LEU 120 1HD2 LEU 120 -23.391 -16.767 -4.889 1154 3HD2 LEU 120 3HD2 LEU 120 -23.292 -15.187 -4.111 1155 MD1 LEU 120 QD1 LEU 120 -20.453 -14.784 -3.608 1156 MD2 LEU 120 QD2 LEU 120 -23.084 -15.799 -4.901 1157 QB LEU 120 QB LEU 120 -20.851 -17.394 -5.584 1158 QD LEU 120 QQD LEU 120 -21.768 -15.291 -4.255 1159 H ALA 121 H ALA 121 -17.985 -18.340 -6.414 1160 HA ALA 121 HA ALA 121 -18.965 -20.988 -6.751 1161 1HB ALA 121 2HB ALA 121 -18.977 -19.567 -8.729 1162 2HB ALA 121 1HB ALA 121 -17.224 -19.391 -8.625 1163 3HB ALA 121 3HB ALA 121 -17.932 -20.966 -8.975 1164 MB ALA 121 QB ALA 121 -18.045 -19.975 -8.776 1165 H GLU 122 H GLU 122 -17.914 -21.923 -5.055 1166 HA GLU 122 HA GLU 122 -15.290 -22.893 -5.652 1167 1HB GLU 122 2HB GLU 122 -14.793 -20.837 -4.344 1168 2HB GLU 122 1HB GLU 122 -15.808 -21.440 -3.040 1169 1HG GLU 122 2HG GLU 122 -14.275 -23.342 -2.749 1170 2HG GLU 122 1HG GLU 122 -13.258 -22.697 -4.035 1171 QB GLU 122 QB GLU 122 -15.301 -21.139 -3.692 1172 QG GLU 122 QG GLU 122 -13.767 -23.019 -3.392 1173 H SER 123 H SER 123 -16.173 -24.873 -5.820 1174 HA SER 123 HA SER 123 -16.926 -26.157 -3.337 1175 1HB SER 123 2HB SER 123 -19.079 -25.569 -4.492 1176 2HB SER 123 1HB SER 123 -18.509 -26.421 -5.927 1177 HG SER 123 HG SER 123 -19.408 -27.401 -3.485 1178 QB SER 123 QB SER 123 -18.794 -25.995 -5.210 1179 H ARG 124 H ARG 124 -16.586 -28.491 -3.547 1180 HA ARG 124 HA ARG 124 -14.533 -28.983 -5.587 1181 1HB ARG 124 2HB ARG 124 -15.045 -30.707 -3.168 1182 2HB ARG 124 1HB ARG 124 -13.627 -30.686 -4.193 1183 1HG ARG 124 2HG ARG 124 -14.498 -28.699 -2.163 1184 2HG ARG 124 1HG ARG 124 -13.006 -29.657 -2.144 1185 1HD ARG 124 2HD ARG 124 -13.738 -27.241 -3.786 1186 2HD ARG 124 1HD ARG 124 -12.371 -27.453 -2.702 1187 HE ARG 124 HE ARG 124 -11.960 -29.286 -4.674 1188 1HH1 ARG 124 1HH1 ARG 124 -12.180 -25.758 -4.457 1189 2HH1 ARG 124 2HH1 ARG 124 -11.553 -25.452 -6.005 1190 1HH2 ARG 124 1HH2 ARG 124 -11.001 -28.879 -6.819 1191 2HH2 ARG 124 2HH2 ARG 124 -10.832 -27.293 -7.377 1192 QB ARG 124 QB ARG 124 -14.336 -30.697 -3.681 1193 QG ARG 124 QG ARG 124 -13.752 -29.178 -2.153 1194 QD ARG 124 QD ARG 124 -13.055 -27.347 -3.244 1195 QH1 ARG 124 QH1 ARG 124 -11.867 -25.605 -5.231 1196 QH2 ARG 124 QH2 ARG 124 -10.916 -28.086 -7.098 1197 H GLN 125 H GLN 125 -17.660 -29.384 -5.101 1198 HA GLN 125 HA GLN 125 -17.794 -31.845 -6.717 1199 1HB GLN 125 2HB GLN 125 -18.313 -32.443 -4.427 1200 2HB GLN 125 1HB GLN 125 -19.503 -31.164 -4.323 1201 1HG GLN 125 2HG GLN 125 -20.821 -32.306 -6.086 1202 2HG GLN 125 1HG GLN 125 -19.651 -33.623 -6.057 1203 1HE2 GLN 125 1HE2 GLN 125 -19.292 -33.487 -3.182 1204 2HE2 GLN 125 2HE2 GLN 125 -20.708 -34.149 -2.467 1205 QB GLN 125 QB GLN 125 -18.908 -31.803 -4.375 1206 QG GLN 125 QG GLN 125 -20.236 -32.964 -6.071 1207 QE GLN 125 QE2 GLN 125 -20.000 -33.818 -2.824 No H/Q in entry = 1207 Start of MODEL 19 1 H1 LEU 5 3HT LEU 5 -12.562 30.295 -21.741 2 H2 LEU 5 2HT LEU 5 -12.691 30.113 -23.412 3 H3 LEU 5 1HT LEU 5 -13.756 29.290 -22.384 4 HA LEU 5 HA LEU 5 -11.918 28.044 -21.464 5 1HB LEU 5 2HB LEU 5 -12.105 28.010 -24.474 6 2HB LEU 5 1HB LEU 5 -11.080 26.890 -23.605 7 HG LEU 5 HG LEU 5 -13.015 25.732 -24.203 8 1HD1 LEU 5 3HD1 LEU 5 -12.307 25.217 -21.995 9 2HD1 LEU 5 2HD1 LEU 5 -13.335 26.490 -21.328 10 3HD1 LEU 5 1HD1 LEU 5 -14.059 25.096 -22.118 11 1HD2 LEU 5 1HD2 LEU 5 -14.449 27.596 -24.760 12 2HD2 LEU 5 3HD2 LEU 5 -15.290 26.442 -23.730 13 3HD2 LEU 5 2HD2 LEU 5 -14.687 27.954 -23.047 14 MD1 LEU 5 QD1 LEU 5 -13.234 25.601 -21.814 15 MD2 LEU 5 QD2 LEU 5 -14.809 27.331 -23.846 16 QB LEU 5 QB LEU 5 -11.593 27.450 -24.039 17 QD LEU 5 QQD LEU 5 -14.021 26.466 -22.830 18 H GLU 6 H GLU 6 -9.993 28.384 -20.658 19 HA GLU 6 HA GLU 6 -7.955 29.591 -22.324 20 1HB GLU 6 2HB GLU 6 -8.577 31.002 -20.340 21 2HB GLU 6 1HB GLU 6 -8.240 29.555 -19.377 22 1HG GLU 6 2HG GLU 6 -6.551 31.285 -19.313 23 2HG GLU 6 1HG GLU 6 -5.919 29.722 -19.854 24 QB GLU 6 QB GLU 6 -8.409 30.279 -19.859 25 QG GLU 6 QG GLU 6 -6.235 30.503 -19.584 26 H ALA 7 H ALA 7 -5.924 28.656 -22.009 27 HA ALA 7 HA ALA 7 -6.077 25.772 -21.776 28 1HB ALA 7 2HB ALA 7 -3.645 27.510 -22.207 29 2HB ALA 7 3HB ALA 7 -4.653 26.820 -23.480 30 3HB ALA 7 1HB ALA 7 -3.733 25.760 -22.416 31 MB ALA 7 QB ALA 7 -4.011 26.697 -22.701 32 H ASP 8 H ASP 8 -4.982 24.480 -20.345 33 HA ASP 8 HA ASP 8 -4.839 25.454 -17.668 34 1HB ASP 8 2HB ASP 8 -5.575 23.141 -18.165 35 2HB ASP 8 1HB ASP 8 -3.995 22.793 -18.844 36 QB ASP 8 QB ASP 8 -4.785 22.967 -18.504 37 H VAL 9 H VAL 9 -2.928 25.427 -16.314 38 HA VAL 9 HA VAL 9 -0.844 26.616 -17.543 39 HB VAL 9 HB VAL 9 0.248 26.673 -15.305 40 1HG1 VAL 9 3HG1 VAL 9 -2.661 27.450 -15.444 41 2HG1 VAL 9 2HG1 VAL 9 -1.486 28.084 -14.297 42 3HG1 VAL 9 1HG1 VAL 9 -1.299 28.411 -16.021 43 1HG2 VAL 9 3HG2 VAL 9 -0.581 24.539 -14.535 44 2HG2 VAL 9 2HG2 VAL 9 -1.031 25.827 -13.397 45 3HG2 VAL 9 1HG2 VAL 9 -2.225 25.170 -14.542 46 MG1 VAL 9 QG1 VAL 9 -1.815 27.982 -15.254 47 MG2 VAL 9 QG2 VAL 9 -1.279 25.179 -14.158 48 QG VAL 9 QQG VAL 9 -1.547 26.580 -14.706 49 H THR 10 H THR 10 -1.503 23.340 -16.969 50 HA THR 10 HA THR 10 -0.439 21.427 -16.916 51 HB THR 10 HB THR 10 1.276 21.001 -18.468 52 HG1 THR 10 1HG THR 10 1.673 23.664 -18.322 53 1HG2 THR 10 2HG2 THR 10 -0.992 20.982 -19.290 54 2HG2 THR 10 1HG2 THR 10 -0.927 22.713 -19.619 55 3HG2 THR 10 3HG2 THR 10 0.059 21.600 -20.568 56 MG THR 10 QG2 THR 10 -0.620 21.765 -19.826 57 H MET 11 H MET 11 -0.060 21.720 -14.739 58 HA MET 11 HA MET 11 2.493 22.598 -13.935 59 1HB MET 11 2HB MET 11 1.868 21.958 -11.669 60 2HB MET 11 1HB MET 11 0.513 22.779 -12.418 61 1HG MET 11 2HG MET 11 -0.525 21.042 -11.387 62 2HG MET 11 1HG MET 11 -0.204 20.381 -12.995 63 1HE MET 11 3HE MET 11 0.051 18.187 -12.911 64 2HE MET 11 2HE MET 11 0.541 17.122 -11.565 65 3HE MET 11 1HE MET 11 -0.868 18.215 -11.405 66 QB MET 11 QB MET 11 1.191 22.368 -12.043 67 QG MET 11 QG MET 11 -0.365 20.712 -12.191 68 ME MET 11 QE MET 11 -0.092 17.841 -11.960 69 H THR 12 H THR 12 4.290 21.628 -13.758 70 HA THR 12 HA THR 12 4.513 19.048 -14.981 71 HB THR 12 HB THR 12 6.826 19.480 -14.650 72 HG1 THR 12 1HG THR 12 7.457 21.455 -13.820 73 1HG2 THR 12 2HG2 THR 12 5.229 21.545 -16.170 74 2HG2 THR 12 1HG2 THR 12 6.953 21.242 -16.414 75 3HG2 THR 12 3HG2 THR 12 5.780 19.975 -16.759 76 MG THR 12 QG2 THR 12 5.987 20.921 -16.448 77 H GLY 13 H GLY 13 4.249 20.276 -11.837 78 1HA GLY 13 1HA GLY 13 4.170 17.746 -10.661 79 2HA GLY 13 2HA GLY 13 4.270 19.268 -9.797 80 QA GLY 13 QA GLY 13 4.220 18.507 -10.229 81 H SER 14 H SER 14 6.223 19.968 -9.041 82 HA SER 14 HA SER 14 8.570 18.458 -9.770 83 1HB SER 14 2HB SER 14 9.644 20.343 -8.414 84 2HB SER 14 1HB SER 14 8.879 20.726 -9.966 85 HG SER 14 HG SER 14 8.174 21.490 -7.415 86 QB SER 14 QB SER 14 9.261 20.535 -9.190 87 H ASP 15 H ASP 15 6.626 19.298 -6.859 88 HA ASP 15 HA ASP 15 8.413 17.662 -5.412 89 1HB ASP 15 2HB ASP 15 7.408 18.711 -3.493 90 2HB ASP 15 1HB ASP 15 8.411 19.823 -4.371 91 QB ASP 15 QB ASP 15 7.910 19.267 -3.932 92 H LEU 16 H LEU 16 6.721 16.425 -6.884 93 HA LEU 16 HA LEU 16 5.476 14.901 -4.756 94 1HB LEU 16 2HB LEU 16 4.691 14.912 -7.630 95 2HB LEU 16 1HB LEU 16 3.963 13.950 -6.356 96 HG LEU 16 HG LEU 16 2.434 15.477 -6.743 97 1HD1 LEU 16 3HD1 LEU 16 2.690 15.528 -4.443 98 2HD1 LEU 16 2HD1 LEU 16 3.926 16.781 -4.546 99 3HD1 LEU 16 1HD1 LEU 16 2.258 17.148 -4.993 100 1HD2 LEU 16 1HD2 LEU 16 4.500 17.547 -7.284 101 2HD2 LEU 16 3HD2 LEU 16 3.361 16.693 -8.348 102 3HD2 LEU 16 2HD2 LEU 16 2.744 17.870 -7.177 103 MD1 LEU 16 QD1 LEU 16 2.958 16.486 -4.661 104 MD2 LEU 16 QD2 LEU 16 3.535 17.370 -7.603 105 QB LEU 16 QB LEU 16 4.327 14.431 -6.993 106 QD LEU 16 QQD LEU 16 3.247 16.928 -6.132 107 H VAL 17 H VAL 17 5.565 12.773 -4.865 108 HA VAL 17 HA VAL 17 7.503 11.697 -6.490 109 HB VAL 17 HB VAL 17 7.835 11.968 -3.512 110 1HG1 VAL 17 2HG1 VAL 17 8.968 9.986 -5.315 111 2HG1 VAL 17 1HG1 VAL 17 9.727 10.349 -3.708 112 3HG1 VAL 17 3HG1 VAL 17 8.040 9.760 -3.804 113 1HG2 VAL 17 3HG2 VAL 17 8.998 13.640 -4.920 114 2HG2 VAL 17 2HG2 VAL 17 10.136 12.630 -4.025 115 3HG2 VAL 17 1HG2 VAL 17 9.855 12.337 -5.736 116 MG1 VAL 17 QG1 VAL 17 8.912 10.031 -4.276 117 MG2 VAL 17 QG2 VAL 17 9.663 12.869 -4.894 118 QG VAL 17 QQG VAL 17 9.287 11.450 -4.585 119 H SER 18 H SER 18 7.174 9.392 -6.418 120 HA SER 18 HA SER 18 5.029 8.423 -4.689 121 1HB SER 18 2HB SER 18 4.124 7.004 -6.491 122 2HB SER 18 1HB SER 18 4.019 8.707 -6.923 123 HG SER 18 HG SER 18 6.359 7.576 -7.692 124 QB SER 18 QB SER 18 4.071 7.855 -6.707 125 H CYS 19 H CYS 19 5.689 6.808 -3.536 126 HA CYS 19 HA CYS 19 8.047 5.390 -4.445 127 1HB CYS 19 2HB CYS 19 8.354 4.783 -2.067 128 2HB CYS 19 1HB CYS 19 7.975 6.468 -2.182 129 HG CYS 19 HG CYS 19 6.879 5.068 -0.012 130 QB CYS 19 QB CYS 19 8.165 5.626 -2.125 131 H CYS 20 H CYS 20 7.851 3.284 -5.062 132 HA CYS 20 HA CYS 20 5.116 2.179 -5.015 133 1HB CYS 20 2HB CYS 20 7.260 1.725 -7.111 134 2HB CYS 20 1HB CYS 20 5.577 1.210 -7.173 135 HG CYS 20 HG CYS 20 5.347 4.327 -6.774 136 QB CYS 20 QB CYS 20 6.418 1.468 -7.142 137 H TYR 21 H TYR 21 5.112 0.499 -3.553 138 HA TYR 21 HA TYR 21 7.687 -0.832 -3.384 139 1HB TYR 21 2HB TYR 21 7.572 -0.986 -1.106 140 2HB TYR 21 1HB TYR 21 7.157 0.646 -1.538 141 HD1 TYR 21 1HD TYR 21 5.487 -2.520 -0.495 142 HD2 TYR 21 2HD TYR 21 5.521 1.719 -0.493 143 HE1 TYR 21 1HE TYR 21 3.707 -2.519 1.136 144 HE2 TYR 21 2HE TYR 21 3.742 1.731 1.140 145 HH TYR 21 HH TYR 21 1.909 0.179 1.940 146 QB TYR 21 QB TYR 21 7.364 -0.170 -1.322 147 QD TYR 21 QD TYR 21 5.504 -0.401 -0.494 148 QE TYR 21 QE TYR 21 3.724 -0.394 1.138 149 QR TYR 21 QR TYR 21 4.614 -0.397 0.322 150 H ARG 22 H ARG 22 7.719 -2.961 -2.819 151 HA ARG 22 HA ARG 22 5.295 -4.470 -3.483 152 1HB ARG 22 2HB ARG 22 7.166 -4.403 -5.192 153 2HB ARG 22 1HB ARG 22 8.187 -5.193 -4.015 154 1HG ARG 22 2HG ARG 22 5.668 -6.389 -5.177 155 2HG ARG 22 1HG ARG 22 7.284 -6.682 -5.791 156 1HD ARG 22 2HD ARG 22 6.204 -7.426 -3.078 157 2HD ARG 22 1HD ARG 22 6.578 -8.526 -4.397 158 HE ARG 22 HE ARG 22 8.464 -7.153 -2.635 159 1HH1 ARG 22 1HH1 ARG 22 8.020 -9.279 -5.456 160 2HH1 ARG 22 2HH1 ARG 22 9.518 -10.047 -5.287 161 1HH2 ARG 22 1HH2 ARG 22 10.532 -8.304 -2.366 162 2HH2 ARG 22 2HH2 ARG 22 10.946 -9.506 -3.502 163 QB ARG 22 QB ARG 22 7.677 -4.798 -4.604 164 QG ARG 22 QG ARG 22 6.476 -6.536 -5.484 165 QD ARG 22 QD ARG 22 6.391 -7.976 -3.738 166 QH1 ARG 22 QH1 ARG 22 8.769 -9.663 -5.372 167 QH2 ARG 22 QH2 ARG 22 10.739 -8.905 -2.934 168 H SER 23 H SER 23 4.616 -5.521 -1.731 169 HA SER 23 HA SER 23 6.582 -6.507 0.210 170 1HB SER 23 2HB SER 23 3.714 -5.678 0.653 171 2HB SER 23 1HB SER 23 4.812 -6.305 1.889 172 HG SER 23 HG SER 23 5.428 -4.114 0.298 173 QB SER 23 QB SER 23 4.263 -5.991 1.271 174 H LEU 24 H LEU 24 5.632 -8.447 1.361 175 HA LEU 24 HA LEU 24 4.031 -10.061 -0.525 176 1HB LEU 24 2HB LEU 24 6.382 -11.033 1.115 177 2HB LEU 24 1HB LEU 24 5.228 -12.111 0.380 178 HG LEU 24 HG LEU 24 7.162 -12.135 -0.956 179 1HD1 LEU 24 1HD1 LEU 24 5.108 -12.166 -2.208 180 2HD1 LEU 24 3HD1 LEU 24 5.149 -10.405 -2.350 181 3HD1 LEU 24 2HD1 LEU 24 6.398 -11.378 -3.116 182 1HD2 LEU 24 2HD2 LEU 24 8.235 -10.087 -0.217 183 2HD2 LEU 24 1HD2 LEU 24 8.140 -10.151 -1.981 184 3HD2 LEU 24 3HD2 LEU 24 7.016 -9.143 -1.085 185 MD1 LEU 24 QD1 LEU 24 5.552 -11.317 -2.558 186 MD2 LEU 24 QD2 LEU 24 7.797 -9.793 -1.094 187 QB LEU 24 QB LEU 24 5.805 -11.572 0.748 188 QD LEU 24 QQD LEU 24 6.674 -10.555 -1.826 189 H ALA 25 H ALA 25 2.668 -8.727 1.143 190 HA ALA 25 HA ALA 25 1.756 -8.645 3.435 191 1HB ALA 25 1HB ALA 25 0.104 -10.428 1.627 192 2HB ALA 25 2HB ALA 25 0.072 -8.640 1.741 193 3HB ALA 25 3HB ALA 25 -0.461 -9.594 3.077 194 MB ALA 25 QB ALA 25 -0.095 -9.554 2.148 195 H ALA 26 H ALA 26 2.345 -9.458 5.374 196 HA ALA 26 HA ALA 26 3.603 -11.856 5.457 197 1HB ALA 26 3HB ALA 26 4.033 -9.993 6.829 198 2HB ALA 26 2HB ALA 26 2.428 -10.138 7.563 199 3HB ALA 26 1HB ALA 26 3.654 -11.395 7.858 200 MB ALA 26 QB ALA 26 3.372 -10.508 7.417 201 HA PRO 27 HA PRO 27 0.294 -14.884 6.045 202 1HB PRO 27 2HB PRO 27 1.611 -16.536 7.773 203 2HB PRO 27 1HB PRO 27 1.963 -16.485 6.037 204 1HG PRO 27 2HG PRO 27 3.217 -14.797 8.197 205 2HG PRO 27 1HG PRO 27 4.094 -15.951 7.109 206 1HD PRO 27 2HD PRO 27 4.091 -13.470 6.573 207 2HD PRO 27 1HD PRO 27 3.468 -14.518 5.270 208 QB PRO 27 QB PRO 27 1.787 -16.510 6.905 209 QG PRO 27 QG PRO 27 3.655 -15.374 7.653 210 QD PRO 27 QD PRO 27 3.780 -13.994 5.921 211 H ASP 28 H ASP 28 1.444 -12.992 8.416 212 HA ASP 28 HA ASP 28 -0.373 -14.040 10.453 213 1HB ASP 28 2HB ASP 28 0.884 -12.678 12.122 214 2HB ASP 28 1HB ASP 28 1.854 -13.899 11.313 215 QB ASP 28 QB ASP 28 1.369 -13.289 11.718 216 H LEU 29 H LEU 29 -0.802 -12.199 8.127 217 HA LEU 29 HA LEU 29 -1.996 -9.871 9.321 218 1HB LEU 29 2HB LEU 29 -1.771 -11.022 6.616 219 2HB LEU 29 1HB LEU 29 -3.017 -9.816 6.906 220 HG LEU 29 HG LEU 29 -0.066 -9.421 7.374 221 1HD1 LEU 29 2HD1 LEU 29 -1.878 -8.653 5.095 222 2HD1 LEU 29 1HD1 LEU 29 -0.193 -8.119 5.293 223 3HD1 LEU 29 3HD1 LEU 29 -0.550 -9.828 5.060 224 1HD2 LEU 29 2HD2 LEU 29 -2.419 -7.546 7.265 225 2HD2 LEU 29 1HD2 LEU 29 -1.478 -7.937 8.699 226 3HD2 LEU 29 3HD2 LEU 29 -0.739 -7.039 7.369 227 MD1 LEU 29 QD1 LEU 29 -0.874 -8.867 5.149 228 MD2 LEU 29 QD2 LEU 29 -1.545 -7.507 7.778 229 QB LEU 29 QB LEU 29 -2.394 -10.419 6.761 230 QD LEU 29 QQD LEU 29 -1.210 -8.187 6.463 231 H THR 30 H THR 30 -4.174 -9.461 9.474 232 HA THR 30 HA THR 30 -5.997 -11.716 9.067 233 HB THR 30 HB THR 30 -7.430 -10.416 10.575 234 HG1 THR 30 1HG THR 30 -6.286 -9.090 12.107 235 1HG2 THR 30 1HG2 THR 30 -6.397 -12.414 11.233 236 2HG2 THR 30 3HG2 THR 30 -4.940 -11.531 11.770 237 3HG2 THR 30 2HG2 THR 30 -6.536 -11.238 12.555 238 MG THR 30 QG2 THR 30 -5.957 -11.728 11.853 239 H LEU 31 H LEU 31 -8.090 -11.023 8.429 240 HA LEU 31 HA LEU 31 -8.251 -9.021 6.401 241 1HB LEU 31 2HB LEU 31 -9.864 -10.928 6.810 242 2HB LEU 31 1HB LEU 31 -10.228 -9.989 8.270 243 HG LEU 31 HG LEU 31 -11.097 -8.157 6.959 244 1HD1 LEU 31 2HD1 LEU 31 -9.775 -8.459 4.947 245 2HD1 LEU 31 1HD1 LEU 31 -10.722 -9.897 4.525 246 3HD1 LEU 31 3HD1 LEU 31 -11.490 -8.300 4.609 247 1HD2 LEU 31 3HD2 LEU 31 -12.358 -10.801 6.312 248 2HD2 LEU 31 2HD2 LEU 31 -12.595 -9.828 7.763 249 3HD2 LEU 31 1HD2 LEU 31 -13.160 -9.225 6.199 250 MD1 LEU 31 QD1 LEU 31 -10.662 -8.886 4.694 251 MD2 LEU 31 QD2 LEU 31 -12.704 -9.951 6.758 252 QB LEU 31 QB LEU 31 -10.046 -10.459 7.540 253 QD LEU 31 QQD LEU 31 -11.683 -9.418 5.726 254 H ARG 32 H ARG 32 -8.779 -8.976 9.921 255 HA ARG 32 HA ARG 32 -9.946 -6.410 9.626 256 1HB ARG 32 2HB ARG 32 -10.385 -7.884 11.642 257 2HB ARG 32 1HB ARG 32 -8.784 -7.414 12.220 258 1HG ARG 32 2HG ARG 32 -10.387 -5.956 13.272 259 2HG ARG 32 1HG ARG 32 -9.498 -5.037 12.034 260 1HD ARG 32 2HD ARG 32 -11.366 -5.475 10.437 261 2HD ARG 32 1HD ARG 32 -12.252 -6.221 11.758 262 HE ARG 32 HE ARG 32 -11.488 -3.627 12.480 263 1HH1 ARG 32 1HH1 ARG 32 -13.747 -5.359 10.357 264 2HH1 ARG 32 2HH1 ARG 32 -14.843 -4.064 10.237 265 1HH2 ARG 32 1HH2 ARG 32 -12.990 -1.859 12.288 266 2HH2 ARG 32 2HH2 ARG 32 -14.402 -2.046 11.347 267 QB ARG 32 QB ARG 32 -9.584 -7.649 11.931 268 QG ARG 32 QG ARG 32 -9.943 -5.497 12.653 269 QD ARG 32 QD ARG 32 -11.809 -5.848 11.098 270 QH1 ARG 32 QH1 ARG 32 -14.295 -4.712 10.297 271 QH2 ARG 32 QH2 ARG 32 -13.696 -1.952 11.818 272 H ASP 33 H ASP 33 -6.736 -7.589 9.942 273 HA ASP 33 HA ASP 33 -5.665 -5.045 10.564 274 1HB ASP 33 2HB ASP 33 -4.501 -7.295 10.927 275 2HB ASP 33 1HB ASP 33 -4.154 -7.275 9.202 276 QB ASP 33 QB ASP 33 -4.327 -7.285 10.065 277 H LEU 34 H LEU 34 -6.535 -6.723 7.509 278 HA LEU 34 HA LEU 34 -5.222 -4.729 5.835 279 1HB LEU 34 2HB LEU 34 -7.574 -6.511 5.186 280 2HB LEU 34 1HB LEU 34 -7.009 -5.293 4.082 281 HG LEU 34 HG LEU 34 -6.192 -7.336 3.317 282 1HD1 LEU 34 1HD1 LEU 34 -4.579 -5.550 3.189 283 2HD1 LEU 34 3HD1 LEU 34 -3.932 -6.002 4.767 284 3HD1 LEU 34 2HD1 LEU 34 -3.784 -7.103 3.410 285 1HD2 LEU 34 1HD2 LEU 34 -6.582 -8.510 5.360 286 2HD2 LEU 34 3HD2 LEU 34 -5.017 -8.944 4.644 287 3HD2 LEU 34 2HD2 LEU 34 -5.092 -7.833 6.038 288 MD1 LEU 34 QD1 LEU 34 -4.098 -6.218 3.789 289 MD2 LEU 34 QD2 LEU 34 -5.564 -8.429 5.348 290 QB LEU 34 QB LEU 34 -7.291 -5.902 4.634 291 QD LEU 34 QQD LEU 34 -4.831 -7.324 4.568 292 H LEU 35 H LEU 35 -8.300 -5.082 7.212 293 HA LEU 35 HA LEU 35 -9.307 -2.692 6.050 294 1HB LEU 35 2HB LEU 35 -10.404 -4.584 8.118 295 2HB LEU 35 1HB LEU 35 -11.246 -3.097 7.729 296 HG LEU 35 HG LEU 35 -12.128 -5.163 6.517 297 1HD1 LEU 35 1HD1 LEU 35 -12.543 -2.899 5.669 298 2HD1 LEU 35 3HD1 LEU 35 -11.035 -2.972 4.756 299 3HD1 LEU 35 2HD1 LEU 35 -12.353 -4.067 4.361 300 1HD2 LEU 35 3HD2 LEU 35 -9.503 -4.930 5.057 301 2HD2 LEU 35 2HD2 LEU 35 -9.935 -6.239 6.084 302 3HD2 LEU 35 1HD2 LEU 35 -10.826 -5.995 4.562 303 MD1 LEU 35 QD1 LEU 35 -11.977 -3.313 4.929 304 MD2 LEU 35 QD2 LEU 35 -10.088 -5.721 5.234 305 QB LEU 35 QB LEU 35 -10.825 -3.840 7.923 306 QD LEU 35 QQD LEU 35 -11.032 -4.517 5.082 307 H ASP 36 H ASP 36 -7.543 -3.389 8.778 308 HA ASP 36 HA ASP 36 -7.853 -0.763 10.040 309 1HB ASP 36 2HB ASP 36 -7.023 -2.860 11.257 310 2HB ASP 36 1HB ASP 36 -5.505 -2.655 10.394 311 QB ASP 36 QB ASP 36 -6.264 -2.757 10.825 312 H ILE 37 H ILE 37 -5.419 -2.381 8.064 313 HA ILE 37 HA ILE 37 -3.528 -0.463 7.609 314 HB ILE 37 HB ILE 37 -4.610 -2.648 5.842 315 1HG1 ILE 37 2HG1 ILE 37 -1.839 -2.340 6.900 316 2HG1 ILE 37 1HG1 ILE 37 -3.084 -2.982 7.940 317 1HG2 ILE 37 3HG2 ILE 37 -2.340 -0.792 5.123 318 2HG2 ILE 37 2HG2 ILE 37 -2.717 -2.292 4.278 319 3HG2 ILE 37 1HG2 ILE 37 -3.872 -0.957 4.265 320 1HD1 ILE 37 3HD1 ILE 37 -2.326 -4.097 5.258 321 2HD1 ILE 37 2HD1 ILE 37 -1.689 -4.703 6.791 322 3HD1 ILE 37 1HD1 ILE 37 -3.416 -4.834 6.419 323 MG ILE 37 QG2 ILE 37 -2.976 -1.347 4.555 324 MD ILE 37 QD1 ILE 37 -2.477 -4.545 6.156 325 QG ILE 37 QG1 ILE 37 -2.462 -2.661 7.420 326 H VAL 38 H VAL 38 -6.427 -0.989 5.680 327 HA VAL 38 HA VAL 38 -6.000 1.137 3.928 328 HB VAL 38 HB VAL 38 -7.693 -0.600 3.465 329 1HG1 VAL 38 3HG1 VAL 38 -8.686 -0.786 5.671 330 2HG1 VAL 38 2HG1 VAL 38 -9.426 0.804 5.472 331 3HG1 VAL 38 1HG1 VAL 38 -9.915 -0.527 4.425 332 1HG2 VAL 38 1HG2 VAL 38 -8.796 2.203 3.399 333 2HG2 VAL 38 3HG2 VAL 38 -7.775 1.447 2.179 334 3HG2 VAL 38 2HG2 VAL 38 -9.407 0.845 2.448 335 MG1 VAL 38 QG1 VAL 38 -9.342 -0.170 5.189 336 MG2 VAL 38 QG2 VAL 38 -8.659 1.498 2.675 337 QG VAL 38 QQG VAL 38 -9.001 0.664 3.932 338 H GLU 39 H GLU 39 -7.497 1.209 7.100 339 HA GLU 39 HA GLU 39 -8.297 3.927 6.821 340 1HB GLU 39 2HB GLU 39 -8.347 1.958 9.055 341 2HB GLU 39 1HB GLU 39 -8.605 3.652 9.410 342 1HG GLU 39 2HG GLU 39 -10.202 2.037 7.437 343 2HG GLU 39 1HG GLU 39 -10.705 2.416 9.088 344 QB GLU 39 QB GLU 39 -8.476 2.805 9.232 345 QG GLU 39 QG GLU 39 -10.453 2.227 8.263 346 H THR 40 H THR 40 -5.629 2.331 8.595 347 HA THR 40 HA THR 40 -4.626 4.757 9.618 348 HB THR 40 HB THR 40 -3.933 2.605 10.636 349 HG1 THR 40 1HG THR 40 -2.164 4.550 9.821 350 1HG2 THR 40 1HG2 THR 40 -2.335 2.239 8.100 351 2HG2 THR 40 3HG2 THR 40 -2.208 1.220 9.534 352 3HG2 THR 40 2HG2 THR 40 -3.717 1.269 8.610 353 MG THR 40 QG2 THR 40 -2.753 1.576 8.748 354 H SER 41 H SER 41 -4.331 3.385 6.478 355 HA SER 41 HA SER 41 -2.048 4.970 5.830 356 1HB SER 41 2HB SER 41 -2.494 4.105 3.487 357 2HB SER 41 1HB SER 41 -2.190 2.866 4.701 358 HG SER 41 HG SER 41 -4.221 2.255 4.645 359 QB SER 41 QB SER 41 -2.342 3.485 4.094 360 H GLN 42 H GLN 42 -5.392 4.843 4.698 361 HA GLN 42 HA GLN 42 -5.261 7.069 3.077 362 1HB GLN 42 2HB GLN 42 -7.617 6.900 2.861 363 2HB GLN 42 1HB GLN 42 -6.990 5.275 3.025 364 1HG GLN 42 2HG GLN 42 -8.678 5.026 4.485 365 2HG GLN 42 1HG GLN 42 -7.598 5.861 5.604 366 1HE2 GLN 42 1HE2 GLN 42 -10.409 5.822 5.680 367 2HE2 GLN 42 2HE2 GLN 42 -10.954 7.457 5.405 368 QB GLN 42 QB GLN 42 -7.303 6.088 2.943 369 QG GLN 42 QG GLN 42 -8.138 5.444 5.044 370 QE GLN 42 QE2 GLN 42 -10.681 6.640 5.543 371 H ALA 43 H ALA 43 -6.120 6.887 6.503 372 HA ALA 43 HA ALA 43 -7.200 9.484 6.646 373 1HB ALA 43 2HB ALA 43 -7.067 9.214 9.059 374 2HB ALA 43 3HB ALA 43 -6.023 7.805 8.851 375 3HB ALA 43 1HB ALA 43 -7.689 7.752 8.276 376 MB ALA 43 QB ALA 43 -6.926 8.257 8.729 377 H HIS 44 H HIS 44 -3.945 8.301 7.089 378 HA HIS 44 HA HIS 44 -3.030 10.936 7.933 379 1HB HIS 44 2HB HIS 44 -1.927 8.739 8.731 380 2HB HIS 44 1HB HIS 44 -1.367 8.644 7.049 381 HD1 HIS 44 1HD HIS 44 -1.010 11.096 9.961 382 HD2 HIS 44 2HD HIS 44 1.038 9.769 6.596 383 HE1 HIS 44 1HE HIS 44 1.188 12.266 9.998 384 HE2 HIS 44 2HE HIS 44 2.506 11.092 8.262 385 QB HIS 44 QB HIS 44 -1.647 8.692 7.890 386 H ASN 45 H ASN 45 -3.099 8.945 5.091 387 HA ASN 45 HA ASN 45 -1.379 10.565 3.573 388 1HB ASN 45 2HB ASN 45 -3.317 8.403 2.818 389 2HB ASN 45 1HB ASN 45 -2.443 9.321 1.591 390 1HD2 ASN 45 1HD2 ASN 45 -1.370 7.416 0.954 391 2HD2 ASN 45 2HD2 ASN 45 -0.107 6.735 1.923 392 QB ASN 45 QB ASN 45 -2.880 8.862 2.205 393 QD ASN 45 QD2 ASN 45 -0.738 7.075 1.439 394 H ALA 46 H ALA 46 -4.896 10.440 3.828 395 HA ALA 46 HA ALA 46 -5.531 12.394 1.940 396 1HB ALA 46 3HB ALA 46 -7.581 12.719 3.253 397 2HB ALA 46 1HB ALA 46 -6.834 11.875 4.607 398 3HB ALA 46 2HB ALA 46 -7.189 10.999 3.121 399 MB ALA 46 QB ALA 46 -7.202 11.864 3.661 400 H ARG 47 H ARG 47 -4.690 12.619 5.329 401 HA ARG 47 HA ARG 47 -4.871 15.395 5.681 402 1HB ARG 47 2HB ARG 47 -4.580 13.548 7.450 403 2HB ARG 47 1HB ARG 47 -2.881 13.610 6.956 404 1HG ARG 47 2HG ARG 47 -2.623 15.833 7.679 405 2HG ARG 47 1HG ARG 47 -4.343 16.006 8.014 406 1HD ARG 47 2HD ARG 47 -4.151 14.281 9.770 407 2HD ARG 47 1HD ARG 47 -2.419 14.178 9.457 408 HE ARG 47 HE ARG 47 -2.666 16.742 9.939 409 1HH1 ARG 47 1HH1 ARG 47 -4.084 14.006 11.759 410 2HH1 ARG 47 2HH1 ARG 47 -4.113 14.824 13.238 411 1HH2 ARG 47 1HH2 ARG 47 -2.711 17.847 12.014 412 2HH2 ARG 47 2HH2 ARG 47 -3.306 17.054 13.397 413 QB ARG 47 QB ARG 47 -3.731 13.579 7.203 414 QG ARG 47 QG ARG 47 -3.483 15.920 7.847 415 QD ARG 47 QD ARG 47 -3.285 14.230 9.614 416 QH1 ARG 47 QH1 ARG 47 -4.098 14.415 12.498 417 QH2 ARG 47 QH2 ARG 47 -3.009 17.451 12.706 418 H ALA 48 H ALA 48 -2.146 13.276 4.789 419 HA ALA 48 HA ALA 48 -0.437 15.475 4.549 420 1HB ALA 48 2HB ALA 48 0.412 13.306 5.201 421 2HB ALA 48 3HB ALA 48 1.245 13.928 3.772 422 3HB ALA 48 1HB ALA 48 0.029 12.655 3.605 423 MB ALA 48 QB ALA 48 0.562 13.297 4.192 424 H GLN 49 H GLN 49 -2.851 14.456 2.552 425 HA GLN 49 HA GLN 49 -3.628 15.080 0.530 426 1HB GLN 49 2HB GLN 49 -1.109 16.727 0.416 427 2HB GLN 49 1HB GLN 49 -2.418 16.867 -0.788 428 1HG GLN 49 2HG GLN 49 -3.550 18.153 0.630 429 2HG GLN 49 1HG GLN 49 -3.207 16.906 1.873 430 1HE2 GLN 49 1HE2 GLN 49 -1.786 17.285 3.416 431 2HE2 GLN 49 2HE2 GLN 49 -0.714 18.614 3.539 432 QB GLN 49 QB GLN 49 -1.764 16.797 -0.186 433 QG GLN 49 QG GLN 49 -3.379 17.530 1.252 434 QE GLN 49 QE2 GLN 49 -1.250 17.950 3.478 435 H LEU 50 H LEU 50 -1.977 12.895 1.040 436 HA LEU 50 HA LEU 50 -0.618 12.139 -1.396 437 1HB LEU 50 2HB LEU 50 -0.958 11.069 1.342 438 2HB LEU 50 1HB LEU 50 -0.589 9.938 0.064 439 HG LEU 50 HG LEU 50 1.438 10.958 -0.385 440 1HD1 LEU 50 1HD1 LEU 50 0.835 13.301 -0.146 441 2HD1 LEU 50 3HD1 LEU 50 0.757 13.113 1.605 442 3HD1 LEU 50 2HD1 LEU 50 2.294 12.941 0.758 443 1HD2 LEU 50 3HD2 LEU 50 1.431 9.459 1.498 444 2HD2 LEU 50 2HD2 LEU 50 2.640 10.726 1.730 445 3HD2 LEU 50 1HD2 LEU 50 1.103 10.797 2.590 446 MD1 LEU 50 QD1 LEU 50 1.295 13.118 0.739 447 MD2 LEU 50 QD2 LEU 50 1.724 10.327 1.939 448 QB LEU 50 QB LEU 50 -0.773 10.503 0.703 449 QD LEU 50 QQD LEU 50 1.510 11.723 1.339 450 H THR 51 H THR 51 -1.297 10.667 -2.809 451 HA THR 51 HA THR 51 -3.928 9.430 -2.521 452 HB THR 51 HB THR 51 -4.156 9.900 -4.989 453 HG1 THR 51 1HG THR 51 -2.359 10.630 -5.890 454 1HG2 THR 51 1HG2 THR 51 -5.143 11.204 -3.213 455 2HG2 THR 51 3HG2 THR 51 -3.662 12.194 -3.174 456 3HG2 THR 51 2HG2 THR 51 -4.696 12.229 -4.619 457 MG THR 51 QG2 THR 51 -4.500 11.876 -3.669 458 H GLY 52 H GLY 52 -4.107 7.349 -3.783 459 1HA GLY 52 1HA GLY 52 -2.263 5.709 -2.550 460 2HA GLY 52 2HA GLY 52 -1.649 5.980 -4.183 461 QA GLY 52 QA GLY 52 -1.956 5.845 -3.366 462 H ALA 53 H ALA 53 -1.894 3.628 -3.843 463 HA ALA 53 HA ALA 53 -4.467 2.508 -4.074 464 1HB ALA 53 2HB ALA 53 -4.238 3.474 -6.359 465 2HB ALA 53 3HB ALA 53 -4.345 1.707 -6.367 466 3HB ALA 53 1HB ALA 53 -2.789 2.509 -6.580 467 MB ALA 53 QB ALA 53 -3.791 2.563 -6.435 468 H LEU 54 H LEU 54 -4.327 0.146 -4.262 469 HA LEU 54 HA LEU 54 -1.705 -0.981 -4.236 470 1HB LEU 54 2HB LEU 54 -1.674 -1.911 -2.051 471 2HB LEU 54 1HB LEU 54 -2.138 -0.231 -1.923 472 HG LEU 54 HG LEU 54 -4.531 -1.041 -1.603 473 1HD1 LEU 54 3HD1 LEU 54 -4.237 -3.361 -2.419 474 2HD1 LEU 54 2HD1 LEU 54 -3.180 -3.704 -1.049 475 3HD1 LEU 54 1HD1 LEU 54 -4.868 -3.316 -0.778 476 1HD2 LEU 54 3HD2 LEU 54 -2.416 -1.715 0.429 477 2HD2 LEU 54 2HD2 LEU 54 -3.201 -0.158 0.199 478 3HD2 LEU 54 1HD2 LEU 54 -4.132 -1.533 0.792 479 MD1 LEU 54 QD1 LEU 54 -4.095 -3.460 -1.415 480 MD2 LEU 54 QD2 LEU 54 -3.249 -1.135 0.473 481 QB LEU 54 QB LEU 54 -1.906 -1.071 -1.987 482 QD LEU 54 QQD LEU 54 -3.672 -2.298 -0.471 483 H PHE 55 H PHE 55 -1.692 -3.176 -4.468 484 HA PHE 55 HA PHE 55 -4.252 -4.411 -5.124 485 1HB PHE 55 2HB PHE 55 -1.743 -4.542 -6.828 486 2HB PHE 55 1HB PHE 55 -3.187 -5.504 -7.096 487 HD1 PHE 55 1HD PHE 55 -5.299 -4.379 -7.777 488 HD2 PHE 55 2HD PHE 55 -1.592 -2.301 -7.578 489 HE1 PHE 55 1HE PHE 55 -6.234 -2.577 -9.167 490 HE2 PHE 55 2HE PHE 55 -2.526 -0.494 -8.961 491 HZ PHE 55 HZ PHE 55 -4.851 -0.633 -9.753 492 QB PHE 55 QB PHE 55 -2.465 -5.023 -6.962 493 QD PHE 55 QD PHE 55 -3.445 -3.340 -7.678 494 QE PHE 55 QE PHE 55 -4.380 -1.535 -9.064 495 QR PHE 55 QR PHE 55 -4.100 -2.077 -8.647 496 H TYR 56 H TYR 56 -4.426 -5.889 -3.654 497 HA TYR 56 HA TYR 56 -2.074 -7.388 -2.771 498 1HB TYR 56 2HB TYR 56 -3.585 -6.422 -1.063 499 2HB TYR 56 1HB TYR 56 -4.945 -7.291 -1.717 500 HD1 TYR 56 1HD TYR 56 -3.363 -10.029 -1.994 501 HD2 TYR 56 2HD TYR 56 -3.750 -7.180 1.120 502 HE1 TYR 56 1HE TYR 56 -2.976 -11.813 -0.354 503 HE2 TYR 56 2HE TYR 56 -3.349 -8.973 2.796 504 HH TYR 56 HH TYR 56 -2.172 -12.019 1.990 505 QB TYR 56 QB TYR 56 -4.265 -6.856 -1.390 506 QD TYR 56 QD TYR 56 -3.556 -8.604 -0.437 507 QE TYR 56 QE TYR 56 -3.162 -10.393 1.221 508 QR TYR 56 QR TYR 56 -3.359 -9.498 0.392 509 H SER 57 H SER 57 -1.668 -9.086 -4.109 510 HA SER 57 HA SER 57 -4.009 -10.568 -4.965 511 1HB SER 57 2HB SER 57 -2.797 -11.082 -7.081 512 2HB SER 57 1HB SER 57 -3.206 -9.381 -6.887 513 HG SER 57 HG SER 57 -1.058 -8.951 -6.352 514 QB SER 57 QB SER 57 -3.001 -10.231 -6.984 515 H GLN 58 H GLN 58 -3.990 -12.159 -3.569 516 HA GLN 58 HA GLN 58 -3.610 -14.240 -2.799 517 1HB GLN 58 2HB GLN 58 -2.865 -14.728 -5.121 518 2HB GLN 58 1HB GLN 58 -1.226 -14.309 -4.659 519 1HG GLN 58 2HG GLN 58 -1.448 -16.686 -4.676 520 2HG GLN 58 1HG GLN 58 -1.290 -16.146 -3.008 521 1HE2 GLN 58 1HE2 GLN 58 -3.478 -17.358 -5.402 522 2HE2 GLN 58 2HE2 GLN 58 -4.698 -17.876 -4.298 523 QB GLN 58 QB GLN 58 -2.045 -14.519 -4.890 524 QG GLN 58 QG GLN 58 -1.369 -16.416 -3.842 525 QE GLN 58 QE2 GLN 58 -4.088 -17.617 -4.850 526 H GLY 59 H GLY 59 -0.411 -12.936 -3.317 527 1HA GLY 59 1HA GLY 59 1.176 -13.882 -1.459 528 2HA GLY 59 2HA GLY 59 0.072 -12.977 -0.428 529 QA GLY 59 QA GLY 59 0.624 -13.430 -0.943 530 H VAL 60 H VAL 60 1.170 -12.004 -3.666 531 HA VAL 60 HA VAL 60 2.992 -10.179 -2.502 532 HB VAL 60 HB VAL 60 3.672 -11.040 -4.623 533 1HG1 VAL 60 2HG1 VAL 60 1.132 -9.883 -5.791 534 2HG1 VAL 60 1HG1 VAL 60 2.432 -10.624 -6.727 535 3HG1 VAL 60 3HG1 VAL 60 1.501 -11.597 -5.588 536 1HG2 VAL 60 2HG2 VAL 60 4.327 -8.747 -4.195 537 2HG2 VAL 60 1HG2 VAL 60 4.064 -8.998 -5.920 538 3HG2 VAL 60 3HG2 VAL 60 2.851 -8.162 -4.958 539 MG1 VAL 60 QG1 VAL 60 1.688 -10.702 -6.036 540 MG2 VAL 60 QG2 VAL 60 3.747 -8.636 -5.024 541 QG VAL 60 QQG VAL 60 2.718 -9.669 -5.530 542 H PHE 61 H PHE 61 2.665 -8.439 -1.715 543 HA PHE 61 HA PHE 61 0.054 -7.113 -1.915 544 1HB PHE 61 2HB PHE 61 1.267 -8.121 0.080 545 2HB PHE 61 1HB PHE 61 2.360 -6.778 -0.067 546 HD1 PHE 61 1HD PHE 61 1.717 -6.835 2.311 547 HD2 PHE 61 2HD PHE 61 -0.976 -5.686 -0.758 548 HE1 PHE 61 1HE PHE 61 0.372 -5.807 3.970 549 HE2 PHE 61 2HE PHE 61 -2.401 -4.572 0.945 550 HZ PHE 61 HZ PHE 61 -1.701 -4.651 3.328 551 QB PHE 61 QB PHE 61 1.813 -7.449 0.007 552 QD PHE 61 QD PHE 61 0.370 -6.261 0.776 553 QE PHE 61 QE PHE 61 -1.015 -5.190 2.458 554 QR PHE 61 QR PHE 61 -0.598 -5.510 1.959 555 H PHE 62 H PHE 62 0.277 -5.497 -3.568 556 HA PHE 62 HA PHE 62 2.817 -4.010 -3.572 557 1HB PHE 62 2HB PHE 62 2.261 -5.196 -5.701 558 2HB PHE 62 1HB PHE 62 0.783 -4.238 -5.809 559 HD1 PHE 62 1HD PHE 62 4.460 -4.072 -5.865 560 HD2 PHE 62 2HD PHE 62 0.818 -2.025 -6.671 561 HE1 PHE 62 1HE PHE 62 5.713 -2.308 -7.032 562 HE2 PHE 62 2HE PHE 62 2.070 -0.268 -7.842 563 HZ PHE 62 HZ PHE 62 4.517 -0.414 -8.024 564 QB PHE 62 QB PHE 62 1.522 -4.717 -5.755 565 QD PHE 62 QD PHE 62 2.639 -3.048 -6.268 566 QE PHE 62 QE PHE 62 3.892 -1.288 -7.437 567 QR PHE 62 QR PHE 62 3.516 -1.817 -7.087 568 H GLN 63 H GLN 63 2.742 -1.947 -2.972 569 HA GLN 63 HA GLN 63 0.163 -0.524 -2.955 570 1HB GLN 63 2HB GLN 63 0.844 -1.707 -0.702 571 2HB GLN 63 1HB GLN 63 2.059 -0.460 -0.602 572 1HG GLN 63 2HG GLN 63 -0.949 -0.033 -0.563 573 2HG GLN 63 1HG GLN 63 0.133 0.006 0.786 574 1HE2 GLN 63 1HE2 GLN 63 2.192 1.599 -0.480 575 2HE2 GLN 63 2HE2 GLN 63 1.500 3.180 -0.644 576 QB GLN 63 QB GLN 63 1.451 -1.084 -0.652 577 QG GLN 63 QG GLN 63 -0.408 -0.014 0.112 578 QE GLN 63 QE2 GLN 63 1.846 2.390 -0.562 579 H TRP 64 H TRP 64 0.556 1.561 -3.756 580 HA TRP 64 HA TRP 64 3.147 2.625 -3.160 581 1HB TRP 64 2HB TRP 64 3.723 3.318 -5.329 582 2HB TRP 64 1HB TRP 64 3.272 1.611 -5.498 583 HD1 TRP 64 HD TRP 64 3.176 4.753 -7.135 584 HE1 TRP 64 1HE TRP 64 1.356 4.873 -8.916 585 HE3 TRP 64 3HE TRP 64 0.362 0.766 -5.666 586 HZ2 TRP 64 2HZ TRP 64 -0.961 3.503 -9.593 587 HZ3 TRP 64 3HZ TRP 64 -1.705 0.283 -6.928 588 HH2 TRP 64 HH TRP 64 -2.316 1.602 -8.874 589 QB TRP 64 QB TRP 64 3.497 2.464 -5.414 590 H LEU 65 H LEU 65 3.172 4.940 -3.195 591 HA LEU 65 HA LEU 65 0.516 6.143 -3.332 592 1HB LEU 65 2HB LEU 65 1.021 7.491 -1.318 593 2HB LEU 65 1HB LEU 65 0.782 5.791 -0.992 594 HG LEU 65 HG LEU 65 3.551 6.743 -1.376 595 1HD1 LEU 65 2HD1 LEU 65 1.894 7.156 1.128 596 2HD1 LEU 65 1HD1 LEU 65 3.648 7.354 1.032 597 3HD1 LEU 65 3HD1 LEU 65 2.592 8.420 0.110 598 1HD2 LEU 65 1HD2 LEU 65 3.107 4.378 -1.001 599 2HD2 LEU 65 3HD2 LEU 65 3.999 5.060 0.356 600 3HD2 LEU 65 2HD2 LEU 65 2.269 4.759 0.505 601 MD1 LEU 65 QD1 LEU 65 2.711 7.643 0.757 602 MD2 LEU 65 QD2 LEU 65 3.125 4.732 -0.047 603 QB LEU 65 QB LEU 65 0.901 6.641 -1.155 604 QD LEU 65 QQD LEU 65 2.918 6.188 0.355 605 H GLU 66 H GLU 66 0.409 8.155 -4.043 606 HA GLU 66 HA GLU 66 2.902 9.386 -4.905 607 1HB GLU 66 2HB GLU 66 1.317 10.648 -6.505 608 2HB GLU 66 1HB GLU 66 1.671 8.970 -6.870 609 1HG GLU 66 2HG GLU 66 -0.468 8.276 -6.253 610 2HG GLU 66 1HG GLU 66 -0.778 9.749 -5.348 611 QB GLU 66 QB GLU 66 1.494 9.809 -6.688 612 QG GLU 66 QG GLU 66 -0.623 9.012 -5.800 613 H GLY 67 H GLY 67 3.447 11.220 -3.923 614 1HA GLY 67 1HA GLY 67 2.329 12.059 -1.615 615 2HA GLY 67 2HA GLY 67 1.512 13.011 -2.844 616 QA GLY 67 QA GLY 67 1.920 12.535 -2.229 617 H HIS 68 H HIS 68 2.905 14.661 -1.347 618 HA HIS 68 HA HIS 68 5.283 15.472 -2.713 619 1HB HIS 68 2HB HIS 68 3.982 17.154 -1.568 620 2HB HIS 68 1HB HIS 68 4.089 16.312 -0.048 621 HD1 HIS 68 1HD HIS 68 6.087 16.723 1.426 622 HD2 HIS 68 2HD HIS 68 6.098 18.459 -2.263 623 HE1 HIS 68 1HE HIS 68 8.066 18.167 1.521 624 HE2 HIS 68 2HE HIS 68 8.103 19.364 -0.738 625 QB HIS 68 QB HIS 68 4.036 16.733 -0.808 626 HA PRO 69 HA PRO 69 8.407 12.539 -1.549 627 1HB PRO 69 2HB PRO 69 10.248 14.560 -0.701 628 2HB PRO 69 1HB PRO 69 10.260 13.611 -2.180 629 1HG PRO 69 2HG PRO 69 9.181 16.318 -1.700 630 2HG PRO 69 1HG PRO 69 9.726 15.579 -3.214 631 1HD PRO 69 2HD PRO 69 7.174 16.042 -2.763 632 2HD PRO 69 1HD PRO 69 7.670 14.545 -3.578 633 QB PRO 69 QB PRO 69 10.254 14.085 -1.441 634 QG PRO 69 QG PRO 69 9.453 15.948 -2.457 635 QD PRO 69 QD PRO 69 7.422 15.294 -3.171 636 H ALA 70 H ALA 70 8.486 15.186 0.849 637 HA ALA 70 HA ALA 70 9.464 13.360 2.763 638 1HB ALA 70 3HB ALA 70 10.037 15.665 2.976 639 2HB ALA 70 1HB ALA 70 9.171 15.066 4.397 640 3HB ALA 70 2HB ALA 70 8.314 16.077 3.184 641 MB ALA 70 QB ALA 70 9.174 15.603 3.519 642 H ALA 71 H ALA 71 6.296 14.226 1.959 643 HA ALA 71 HA ALA 71 5.089 13.259 4.300 644 1HB ALA 71 3HB ALA 71 4.238 13.168 1.498 645 2HB ALA 71 2HB ALA 71 3.141 12.972 2.873 646 3HB ALA 71 1HB ALA 71 3.942 14.555 2.569 647 MB ALA 71 QB ALA 71 3.774 13.565 2.313 648 H VAL 72 H VAL 72 5.954 11.975 1.233 649 HA VAL 72 HA VAL 72 5.052 9.327 1.378 650 HB VAL 72 HB VAL 72 7.656 10.029 0.063 651 1HG1 VAL 72 2HG1 VAL 72 5.338 8.414 -0.710 652 2HG1 VAL 72 1HG1 VAL 72 6.822 8.593 -1.686 653 3HG1 VAL 72 3HG1 VAL 72 6.881 7.764 -0.108 654 1HG2 VAL 72 3HG2 VAL 72 4.965 10.865 -0.938 655 2HG2 VAL 72 2HG2 VAL 72 6.365 11.870 -0.460 656 3HG2 VAL 72 1HG2 VAL 72 6.472 10.840 -1.894 657 MG1 VAL 72 QG1 VAL 72 6.347 8.257 -0.835 658 MG2 VAL 72 QG2 VAL 72 5.934 11.192 -1.097 659 QG VAL 72 QQG VAL 72 6.141 9.724 -0.966 660 H ALA 73 H ALA 73 8.133 10.816 2.183 661 HA ALA 73 HA ALA 73 9.342 8.452 3.053 662 1HB ALA 73 2HB ALA 73 10.043 11.280 3.637 663 2HB ALA 73 1HB ALA 73 10.941 9.751 4.075 664 3HB ALA 73 3HB ALA 73 10.707 10.180 2.376 665 MB ALA 73 QB ALA 73 10.564 10.404 3.363 666 H GLU 74 H GLU 74 7.666 10.993 4.806 667 HA GLU 74 HA GLU 74 8.162 9.996 7.431 668 1HB GLU 74 2HB GLU 74 7.172 12.277 6.648 669 2HB GLU 74 1HB GLU 74 5.655 11.425 6.481 670 1HG GLU 74 2HG GLU 74 7.161 11.616 9.077 671 2HG GLU 74 1HG GLU 74 5.954 12.784 8.572 672 QB GLU 74 QB GLU 74 6.414 11.851 6.564 673 QG GLU 74 QG GLU 74 6.557 12.200 8.825 674 H VAL 75 H VAL 75 5.627 9.417 5.079 675 HA VAL 75 HA VAL 75 4.306 7.369 6.409 676 HB VAL 75 HB VAL 75 4.619 8.073 3.488 677 1HG1 VAL 75 2HG1 VAL 75 2.965 5.803 4.584 678 2HG1 VAL 75 1HG1 VAL 75 2.941 6.421 2.924 679 3HG1 VAL 75 3HG1 VAL 75 4.405 5.672 3.558 680 1HG2 VAL 75 1HG2 VAL 75 3.217 9.496 4.873 681 2HG2 VAL 75 3HG2 VAL 75 2.253 8.625 3.683 682 3HG2 VAL 75 2HG2 VAL 75 2.266 8.095 5.367 683 MG1 VAL 75 QG1 VAL 75 3.437 5.965 3.689 684 MG2 VAL 75 QG2 VAL 75 2.579 8.739 4.641 685 QG VAL 75 QQG VAL 75 3.008 7.352 4.165 686 H MET 76 H MET 76 7.104 7.161 4.112 687 HA MET 76 HA MET 76 7.535 4.473 4.249 688 1HB MET 76 2HB MET 76 9.562 6.691 4.066 689 2HB MET 76 1HB MET 76 9.937 5.030 3.725 690 1HG MET 76 2HG MET 76 7.826 6.475 2.319 691 2HG MET 76 1HG MET 76 9.496 6.625 1.746 692 1HE MET 76 3HE MET 76 6.361 4.698 2.288 693 2HE MET 76 2HE MET 76 6.484 3.207 1.320 694 3HE MET 76 1HE MET 76 7.325 3.350 2.880 695 QB MET 76 QB MET 76 9.749 5.861 3.895 696 QG MET 76 QG MET 76 8.661 6.550 2.032 697 ME MET 76 QE MET 76 6.723 3.752 2.163 698 H SER 77 H SER 77 8.880 6.926 6.379 699 HA SER 77 HA SER 77 10.244 5.196 8.079 700 1HB SER 77 2HB SER 77 8.865 7.799 8.787 701 2HB SER 77 1HB SER 77 10.157 7.043 9.727 702 HG SER 77 HG SER 77 10.304 8.065 7.077 703 QB SER 77 QB SER 77 9.511 7.421 9.257 704 H HIS 78 H HIS 78 6.839 6.122 8.222 705 HA HIS 78 HA HIS 78 6.052 4.554 10.473 706 1HB HIS 78 2HB HIS 78 4.594 5.227 7.917 707 2HB HIS 78 1HB HIS 78 3.861 4.164 9.083 708 HD1 HIS 78 1HD HIS 78 2.516 5.233 10.816 709 HD2 HIS 78 2HD HIS 78 5.013 7.905 8.901 710 HE1 HIS 78 1HE HIS 78 1.755 7.519 11.561 711 HE2 HIS 78 2HE HIS 78 3.522 9.061 10.588 712 QB HIS 78 QB HIS 78 4.228 4.695 8.500 713 H ILE 79 H ILE 79 6.021 3.814 7.114 714 HA ILE 79 HA ILE 79 5.011 1.240 7.250 715 HB ILE 79 HB ILE 79 5.992 3.107 5.270 716 1HG1 ILE 79 2HG1 ILE 79 3.513 1.425 5.495 717 2HG1 ILE 79 1HG1 ILE 79 3.695 3.123 5.915 718 1HG2 ILE 79 1HG2 ILE 79 6.046 0.239 4.707 719 2HG2 ILE 79 3HG2 ILE 79 5.630 1.389 3.436 720 3HG2 ILE 79 2HG2 ILE 79 7.189 1.515 4.257 721 1HD1 ILE 79 1HD1 ILE 79 4.143 3.604 3.546 722 2HD1 ILE 79 3HD1 ILE 79 3.840 1.900 3.185 723 3HD1 ILE 79 2HD1 ILE 79 2.550 2.920 3.847 724 MG ILE 79 QG2 ILE 79 6.289 1.048 4.133 725 MD ILE 79 QD1 ILE 79 3.511 2.808 3.526 726 QG ILE 79 QG1 ILE 79 3.604 2.274 5.705 727 H GLN 80 H GLN 80 8.371 2.208 6.562 728 HA GLN 80 HA GLN 80 9.352 -0.327 6.147 729 1HB GLN 80 2HB GLN 80 10.720 2.227 6.942 730 2HB GLN 80 1HB GLN 80 11.541 0.780 6.366 731 1HG GLN 80 2HG GLN 80 9.499 2.362 4.717 732 2HG GLN 80 1HG GLN 80 11.204 2.378 4.525 733 1HE2 GLN 80 1HE2 GLN 80 8.517 0.373 4.317 734 2HE2 GLN 80 2HE2 GLN 80 9.372 -0.719 3.256 735 QB GLN 80 QB GLN 80 11.131 1.504 6.654 736 QG GLN 80 QG GLN 80 10.352 2.370 4.621 737 QE GLN 80 QE2 GLN 80 8.945 -0.173 3.787 738 H ARG 81 H ARG 81 8.565 1.114 9.186 739 HA ARG 81 HA ARG 81 10.317 -0.779 10.579 740 1HB ARG 81 2HB ARG 81 8.416 1.277 11.701 741 2HB ARG 81 1HB ARG 81 9.624 0.350 12.576 742 1HG ARG 81 2HG ARG 81 11.378 1.439 11.473 743 2HG ARG 81 1HG ARG 81 10.254 2.360 10.446 744 1HD ARG 81 2HD ARG 81 10.589 2.494 13.434 745 2HD ARG 81 1HD ARG 81 10.928 3.765 12.243 746 HE ARG 81 HE ARG 81 8.504 3.667 11.745 747 1HH1 ARG 81 1HH1 ARG 81 9.786 3.058 15.002 748 2HH1 ARG 81 2HH1 ARG 81 8.289 3.294 15.783 749 1HH2 ARG 81 1HH2 ARG 81 6.386 3.992 12.926 750 2HH2 ARG 81 2HH2 ARG 81 6.380 3.829 14.611 751 QB ARG 81 QB ARG 81 9.020 0.813 12.139 752 QG ARG 81 QG ARG 81 10.816 1.899 10.960 753 QD ARG 81 QD ARG 81 10.758 3.130 12.839 754 QH1 ARG 81 QH1 ARG 81 9.038 3.176 15.392 755 QH2 ARG 81 QH2 ARG 81 6.383 3.911 13.768 756 H ASP 82 H ASP 82 7.800 -1.444 9.001 757 HA ASP 82 HA ASP 82 5.944 -2.353 11.040 758 1HB ASP 82 2HB ASP 82 5.247 -1.437 8.677 759 2HB ASP 82 1HB ASP 82 5.807 -2.980 8.123 760 QB ASP 82 QB ASP 82 5.527 -2.208 8.400 761 H ARG 83 H ARG 83 5.267 -4.729 9.233 762 HA ARG 83 HA ARG 83 7.181 -6.756 9.839 763 1HB ARG 83 2HB ARG 83 5.670 -7.709 11.714 764 2HB ARG 83 1HB ARG 83 6.733 -6.362 12.111 765 1HG ARG 83 2HG ARG 83 4.862 -4.790 11.813 766 2HG ARG 83 1HG ARG 83 3.812 -6.130 11.419 767 1HD ARG 83 2HD ARG 83 3.930 -7.014 13.627 768 2HD ARG 83 1HD ARG 83 5.239 -5.916 14.063 769 HE ARG 83 HE ARG 83 3.662 -4.084 13.806 770 1HH1 ARG 83 1HH1 ARG 83 2.195 -7.288 14.233 771 2HH1 ARG 83 2HH1 ARG 83 0.775 -6.679 14.937 772 1HH2 ARG 83 1HH2 ARG 83 1.713 -3.271 14.757 773 2HH2 ARG 83 2HH2 ARG 83 0.493 -4.352 15.253 774 QB ARG 83 QB ARG 83 6.202 -7.035 11.913 775 QG ARG 83 QG ARG 83 4.337 -5.460 11.616 776 QD ARG 83 QD ARG 83 4.584 -6.465 13.845 777 QH1 ARG 83 QH1 ARG 83 1.485 -6.983 14.585 778 QH2 ARG 83 QH2 ARG 83 1.103 -3.811 15.005 779 H ARG 84 H ARG 84 3.752 -5.828 9.407 780 HA ARG 84 HA ARG 84 3.243 -8.473 8.487 781 1HB ARG 84 2HB ARG 84 0.751 -7.755 8.633 782 2HB ARG 84 1HB ARG 84 1.664 -8.228 10.041 783 1HG ARG 84 2HG ARG 84 0.260 -6.338 10.566 784 2HG ARG 84 1HG ARG 84 1.941 -5.851 10.639 785 1HD ARG 84 2HD ARG 84 1.689 -4.365 8.964 786 2HD ARG 84 1HD ARG 84 0.605 -5.418 8.053 787 HE ARG 84 HE ARG 84 -1.118 -4.831 9.662 788 1HH1 ARG 84 1HH1 ARG 84 1.614 -2.494 9.648 789 2HH1 ARG 84 2HH1 ARG 84 0.600 -1.167 9.861 790 1HH2 ARG 84 1HH2 ARG 84 -2.391 -3.052 9.939 791 2HH2 ARG 84 2HH2 ARG 84 -1.762 -1.445 10.072 792 QB ARG 84 QB ARG 84 1.208 -7.991 9.337 793 QG ARG 84 QG ARG 84 1.101 -6.094 10.603 794 QD ARG 84 QD ARG 84 1.147 -4.891 8.508 795 QH1 ARG 84 QH1 ARG 84 1.107 -1.830 9.755 796 QH2 ARG 84 QH2 ARG 84 -2.077 -2.249 10.005 797 H HIS 85 H HIS 85 3.494 -5.514 7.096 798 HA HIS 85 HA HIS 85 2.757 -6.883 4.642 799 1HB HIS 85 2HB HIS 85 3.363 -4.862 3.313 800 2HB HIS 85 1HB HIS 85 1.967 -4.638 4.320 801 HD1 HIS 85 1HD HIS 85 3.048 -2.112 3.365 802 HD2 HIS 85 2HD HIS 85 4.693 -3.862 6.765 803 HE1 HIS 85 1HE HIS 85 4.271 -0.378 4.579 804 HE2 HIS 85 2HE HIS 85 5.262 -1.446 6.556 805 QB HIS 85 QB HIS 85 2.665 -4.750 3.817 806 H SER 86 H SER 86 3.951 -8.276 4.451 807 HA SER 86 HA SER 86 5.845 -9.048 5.812 808 1HB SER 86 2HB SER 86 4.753 -10.123 3.844 809 2HB SER 86 1HB SER 86 6.151 -9.677 2.951 810 HG SER 86 HG SER 86 6.612 -10.947 5.403 811 QB SER 86 QB SER 86 5.452 -9.900 3.398 812 H ASN 87 H ASN 87 7.092 -7.472 3.092 813 HA ASN 87 HA ASN 87 9.528 -7.071 4.684 814 1HB ASN 87 2HB ASN 87 9.648 -7.189 1.685 815 2HB ASN 87 1HB ASN 87 11.006 -7.191 2.789 816 1HD2 ASN 87 1HD2 ASN 87 10.322 -8.915 0.650 817 2HD2 ASN 87 2HD2 ASN 87 10.211 -10.513 1.298 818 QB ASN 87 QB ASN 87 10.327 -7.190 2.237 819 QD ASN 87 QD2 ASN 87 10.266 -9.714 0.974 820 H VAL 88 H VAL 88 7.253 -5.594 3.094 821 HA VAL 88 HA VAL 88 7.196 -3.975 1.580 822 HB VAL 88 HB VAL 88 6.125 -3.259 3.430 823 1HG1 VAL 88 3HG1 VAL 88 7.700 -3.428 5.151 824 2HG1 VAL 88 2HG1 VAL 88 8.561 -1.944 4.534 825 3HG1 VAL 88 1HG1 VAL 88 6.867 -1.848 5.068 826 1HG2 VAL 88 2HG2 VAL 88 6.431 -1.620 1.578 827 2HG2 VAL 88 1HG2 VAL 88 6.036 -0.906 3.150 828 3HG2 VAL 88 3HG2 VAL 88 7.671 -0.846 2.562 829 MG1 VAL 88 QG1 VAL 88 7.710 -2.406 4.918 830 MG2 VAL 88 QG2 VAL 88 6.713 -1.124 2.430 831 QG VAL 88 QQG VAL 88 7.211 -1.765 3.674 832 H GLU 89 H GLU 89 8.755 -4.566 0.287 833 HA GLU 89 HA GLU 89 11.190 -3.034 0.299 834 1HB GLU 89 2HB GLU 89 10.000 -5.043 -1.538 835 2HB GLU 89 1HB GLU 89 11.536 -4.263 -1.876 836 1HG GLU 89 2HG GLU 89 12.567 -5.243 -0.057 837 2HG GLU 89 1HG GLU 89 11.019 -5.665 0.667 838 QB GLU 89 QB GLU 89 10.768 -4.653 -1.707 839 QG GLU 89 QG GLU 89 11.793 -5.454 0.305 840 H ILE 90 H ILE 90 10.290 -1.020 0.126 841 HA ILE 90 HA ILE 90 8.843 0.144 -1.986 842 HB ILE 90 HB ILE 90 11.403 1.447 -1.133 843 1HG1 ILE 90 2HG1 ILE 90 10.672 0.569 0.971 844 2HG1 ILE 90 1HG1 ILE 90 10.395 2.300 0.940 845 1HG2 ILE 90 2HG2 ILE 90 8.613 2.542 -1.428 846 2HG2 ILE 90 1HG2 ILE 90 10.012 3.482 -1.015 847 3HG2 ILE 90 3HG2 ILE 90 9.923 2.736 -2.615 848 1HD1 ILE 90 1HD1 ILE 90 8.067 1.914 0.440 849 2HD1 ILE 90 3HD1 ILE 90 8.351 0.175 0.498 850 3HD1 ILE 90 2HD1 ILE 90 8.553 1.154 1.964 851 MG ILE 90 QG2 ILE 90 9.516 2.920 -1.686 852 MD ILE 90 QD1 ILE 90 8.324 1.081 0.967 853 QG ILE 90 QG1 ILE 90 10.533 1.434 0.955 854 H LEU 91 H LEU 91 12.167 0.277 -1.982 855 HA LEU 91 HA LEU 91 13.765 0.068 -3.525 856 1HB LEU 91 2HB LEU 91 12.011 -2.147 -4.548 857 2HB LEU 91 1HB LEU 91 13.669 -1.891 -5.042 858 HG LEU 91 HG LEU 91 12.733 -2.648 -2.254 859 1HD1 LEU 91 2HD1 LEU 91 12.673 -4.450 -3.863 860 2HD1 LEU 91 1HD1 LEU 91 14.351 -4.140 -4.296 861 3HD1 LEU 91 3HD1 LEU 91 13.950 -4.691 -2.668 862 1HD2 LEU 91 3HD2 LEU 91 15.522 -2.095 -3.282 863 2HD2 LEU 91 2HD2 LEU 91 14.640 -1.143 -2.092 864 3HD2 LEU 91 1HD2 LEU 91 15.126 -2.792 -1.708 865 MD1 LEU 91 QD1 LEU 91 13.658 -4.427 -3.609 866 MD2 LEU 91 QD2 LEU 91 15.096 -2.010 -2.361 867 QB LEU 91 QB LEU 91 12.840 -2.019 -4.795 868 QD LEU 91 QQD LEU 91 14.377 -3.218 -2.985 869 H ALA 92 H ALA 92 10.790 1.171 -4.534 870 HA ALA 92 HA ALA 92 12.074 2.344 -6.900 871 1HB ALA 92 3HB ALA 92 10.542 0.685 -7.781 872 2HB ALA 92 1HB ALA 92 9.877 2.300 -8.051 873 3HB ALA 92 2HB ALA 92 9.253 1.298 -6.743 874 MB ALA 92 QB ALA 92 9.890 1.427 -7.525 875 H GLU 93 H GLU 93 12.242 4.387 -6.437 876 HA GLU 93 HA GLU 93 9.938 5.767 -5.253 877 1HB GLU 93 2HB GLU 93 12.856 6.403 -4.628 878 2HB GLU 93 1HB GLU 93 11.393 7.065 -3.897 879 1HG GLU 93 2HG GLU 93 10.943 5.244 -2.679 880 2HG GLU 93 1HG GLU 93 11.967 4.182 -3.651 881 QB GLU 93 QB GLU 93 12.124 6.734 -4.262 882 QG GLU 93 QG GLU 93 11.455 4.713 -3.165 883 H GLU 94 H GLU 94 9.262 7.004 -6.903 884 HA GLU 94 HA GLU 94 11.315 8.284 -8.547 885 1HB GLU 94 2HB GLU 94 9.668 8.190 -10.455 886 2HB GLU 94 1HB GLU 94 10.366 6.655 -9.984 887 1HG GLU 94 2HG GLU 94 8.336 6.039 -8.833 888 2HG GLU 94 1HG GLU 94 7.641 7.630 -9.149 889 QB GLU 94 QB GLU 94 10.017 7.423 -10.219 890 QG GLU 94 QG GLU 94 7.988 6.834 -8.991 891 H SER 95 H SER 95 11.001 10.362 -9.172 892 HA SER 95 HA SER 95 9.215 11.868 -7.527 893 1HB SER 95 2HB SER 95 11.463 12.696 -7.907 894 2HB SER 95 1HB SER 95 11.190 12.730 -9.654 895 HG SER 95 HG SER 95 9.548 14.221 -7.876 896 QB SER 95 QB SER 95 11.326 12.713 -8.781 897 H ILE 96 H ILE 96 7.381 12.690 -8.158 898 HA ILE 96 HA ILE 96 6.494 12.253 -10.963 899 HB ILE 96 HB ILE 96 4.353 11.728 -10.157 900 1HG1 ILE 96 2HG1 ILE 96 5.594 11.284 -7.466 901 2HG1 ILE 96 1HG1 ILE 96 4.817 12.800 -7.888 902 1HG2 ILE 96 3HG2 ILE 96 6.602 9.950 -9.201 903 2HG2 ILE 96 2HG2 ILE 96 4.942 9.397 -9.445 904 3HG2 ILE 96 1HG2 ILE 96 5.898 9.981 -10.815 905 1HD1 ILE 96 2HD1 ILE 96 3.364 10.231 -8.154 906 2HD1 ILE 96 1HD1 ILE 96 3.512 11.135 -6.609 907 3HD1 ILE 96 3HD1 ILE 96 2.832 11.920 -8.001 908 MG ILE 96 QG2 ILE 96 5.814 9.776 -9.820 909 MD ILE 96 QD1 ILE 96 3.236 11.096 -7.588 910 QG ILE 96 QG1 ILE 96 5.206 12.042 -7.677 911 H ALA 97 H ALA 97 4.381 13.241 -11.397 912 HA ALA 97 HA ALA 97 4.261 15.897 -10.236 913 1HB ALA 97 1HB ALA 97 4.406 15.821 -12.661 914 2HB ALA 97 2HB ALA 97 2.814 16.448 -12.071 915 3HB ALA 97 3HB ALA 97 2.961 14.778 -12.628 916 MB ALA 97 QB ALA 97 3.394 15.682 -12.453 917 H LYS 98 H LYS 98 3.158 13.183 -9.782 918 HA LYS 98 HA LYS 98 1.319 12.109 -8.960 919 1HB LYS 98 2HB LYS 98 2.197 13.764 -7.435 920 2HB LYS 98 1HB LYS 98 0.915 14.834 -7.939 921 1HG LYS 98 2HG LYS 98 0.077 12.213 -7.104 922 2HG LYS 98 1HG LYS 98 1.054 13.115 -5.956 923 1HD LYS 98 2HD LYS 98 -0.768 14.905 -6.980 924 2HD LYS 98 1HD LYS 98 -1.702 13.478 -6.421 925 1HE LYS 98 2HE LYS 98 -0.274 13.520 -4.494 926 2HE LYS 98 1HE LYS 98 0.335 15.090 -5.061 927 1HZ LYS 98 3HZ LYS 98 -2.551 14.569 -4.511 928 2HZ LYS 98 2HZ LYS 98 -1.587 15.273 -3.345 929 3HZ LYS 98 1HZ LYS 98 -1.865 16.065 -4.836 930 QB LYS 98 QB LYS 98 1.556 14.299 -7.687 931 QD LYS 98 QD LYS 98 -1.235 14.192 -6.700 932 QG LYS 98 QG LYS 98 0.565 12.664 -6.530 933 QE LYS 98 QE LYS 98 0.030 14.305 -4.777 934 QZ LYS 98 QZ LYS 98 -2.001 15.302 -4.230 935 H ARG 99 H ARG 99 -1.140 12.832 -8.456 936 HA ARG 99 HA ARG 99 -3.211 13.280 -9.232 937 1HB ARG 99 2HB ARG 99 -1.756 14.665 -11.492 938 2HB ARG 99 1HB ARG 99 -3.514 14.526 -11.466 939 1HG ARG 99 2HG ARG 99 -1.780 15.948 -9.445 940 2HG ARG 99 1HG ARG 99 -2.775 16.706 -10.686 941 1HD ARG 99 2HD ARG 99 -3.755 15.060 -8.348 942 2HD ARG 99 1HD ARG 99 -3.900 16.800 -8.540 943 HE ARG 99 HE ARG 99 -5.201 14.976 -10.454 944 1HH1 ARG 99 1HH1 ARG 99 -5.476 17.670 -8.113 945 2HH1 ARG 99 2HH1 ARG 99 -7.130 17.860 -8.374 946 1HH2 ARG 99 1HH2 ARG 99 -7.463 15.290 -10.778 947 2HH2 ARG 99 2HH2 ARG 99 -8.279 16.525 -9.945 948 QB ARG 99 QB ARG 99 -2.635 14.596 -11.479 949 QG ARG 99 QG ARG 99 -2.278 16.327 -10.066 950 QD ARG 99 QD ARG 99 -3.828 15.930 -8.444 951 QH1 ARG 99 QH1 ARG 99 -6.303 17.765 -8.243 952 QH2 ARG 99 QH2 ARG 99 -7.871 15.908 -10.362 953 H ARG 100 H ARG 100 -1.691 10.923 -9.628 954 HA ARG 100 HA ARG 100 -2.706 9.976 -12.143 955 1HB ARG 100 2HB ARG 100 -1.012 8.618 -10.048 956 2HB ARG 100 1HB ARG 100 -1.437 7.933 -11.620 957 1HG ARG 100 2HG ARG 100 -0.317 9.744 -12.752 958 2HG ARG 100 1HG ARG 100 0.024 10.509 -11.198 959 1HD ARG 100 2HD ARG 100 1.487 8.619 -10.608 960 2HD ARG 100 1HD ARG 100 1.079 7.823 -12.134 961 HE ARG 100 HE ARG 100 2.010 10.328 -12.774 962 1HH1 ARG 100 1HH1 ARG 100 3.437 7.395 -11.307 963 2HH1 ARG 100 2HH1 ARG 100 5.013 7.768 -11.806 964 1HH2 ARG 100 1HH2 ARG 100 4.170 10.811 -13.445 965 2HH2 ARG 100 2HH2 ARG 100 5.450 9.765 -13.062 966 QB ARG 100 QB ARG 100 -1.225 8.276 -10.834 967 QG ARG 100 QG ARG 100 -0.147 10.126 -11.975 968 QD ARG 100 QD ARG 100 1.283 8.221 -11.371 969 QH1 ARG 100 QH1 ARG 100 4.225 7.582 -11.557 970 QH2 ARG 100 QH2 ARG 100 4.810 10.288 -13.253 971 H PHE 101 H PHE 101 -3.166 9.242 -8.623 972 HA PHE 101 HA PHE 101 -5.545 7.914 -9.585 973 1HB PHE 101 2HB PHE 101 -3.802 7.238 -7.262 974 2HB PHE 101 1HB PHE 101 -5.500 6.758 -7.240 975 HD1 PHE 101 1HD PHE 101 -6.157 4.799 -8.255 976 HD2 PHE 101 2HD PHE 101 -2.437 6.531 -9.405 977 HE1 PHE 101 1HE PHE 101 -5.688 2.867 -9.673 978 HE2 PHE 101 2HE PHE 101 -1.988 4.618 -10.823 979 HZ PHE 101 HZ PHE 101 -3.598 2.768 -10.964 980 QB PHE 101 QB PHE 101 -4.651 6.998 -7.251 981 QD PHE 101 QD PHE 101 -4.297 5.665 -8.830 982 QE PHE 101 QE PHE 101 -3.838 3.743 -10.248 983 QR PHE 101 QR PHE 101 -3.974 4.317 -9.824 984 H ALA 102 H ALA 102 -4.452 10.288 -7.738 985 HA ALA 102 HA ALA 102 -5.373 12.105 -6.656 986 1HB ALA 102 3HB ALA 102 -6.511 12.390 -8.810 987 2HB ALA 102 1HB ALA 102 -7.474 13.013 -7.472 988 3HB ALA 102 2HB ALA 102 -7.884 11.462 -8.209 989 MB ALA 102 QB ALA 102 -7.290 12.288 -8.163 990 H GLY 103 H GLY 103 -6.573 9.107 -5.986 991 1HA GLY 103 1HA GLY 103 -8.598 9.043 -4.302 992 2HA GLY 103 2HA GLY 103 -7.359 9.871 -3.337 993 QA GLY 103 QA GLY 103 -7.978 9.457 -3.820 994 H TRP 104 H TRP 104 -7.343 7.867 -2.040 995 HA TRP 104 HA TRP 104 -5.458 5.937 -3.039 996 1HB TRP 104 2HB TRP 104 -5.542 4.794 -0.977 997 2HB TRP 104 1HB TRP 104 -5.870 6.440 -0.525 998 HD1 TRP 104 HD TRP 104 -7.410 2.955 -0.722 999 HE1 TRP 104 1HE TRP 104 -9.637 2.899 0.549 1000 HE3 TRP 104 3HE TRP 104 -7.952 7.957 0.298 1001 HZ2 TRP 104 2HZ TRP 104 -11.357 4.742 1.823 1002 HZ3 TRP 104 3HZ TRP 104 -9.867 8.663 1.542 1003 HH2 TRP 104 HH TRP 104 -11.451 7.227 2.252 1004 QB TRP 104 QB TRP 104 -5.706 5.617 -0.751 1005 H HIS 105 H HIS 105 -5.734 3.743 -3.774 1006 HA HIS 105 HA HIS 105 -8.505 2.896 -4.208 1007 1HB HIS 105 2HB HIS 105 -6.159 3.008 -6.018 1008 2HB HIS 105 1HB HIS 105 -7.426 1.811 -6.357 1009 HD1 HIS 105 1HD HIS 105 -9.195 2.689 -7.912 1010 HD2 HIS 105 2HD HIS 105 -7.199 5.771 -5.982 1011 HE1 HIS 105 1HE HIS 105 -10.057 4.803 -8.939 1012 HE2 HIS 105 2HE HIS 105 -9.127 6.590 -7.485 1013 QB HIS 105 QB HIS 105 -6.793 2.410 -6.188 1014 H MET 106 H MET 106 -8.569 1.385 -2.587 1015 HA MET 106 HA MET 106 -6.276 -0.378 -2.202 1016 1HB MET 106 2HB MET 106 -7.550 0.876 -0.317 1017 2HB MET 106 1HB MET 106 -8.812 -0.314 -0.560 1018 1HG MET 106 2HG MET 106 -5.974 -0.912 0.253 1019 2HG MET 106 1HG MET 106 -7.332 -0.802 1.352 1020 1HE MET 106 2HE MET 106 -5.305 -3.280 1.288 1021 2HE MET 106 1HE MET 106 -6.688 -3.196 2.389 1022 3HE MET 106 3HE MET 106 -6.424 -4.625 1.388 1023 QB MET 106 QB MET 106 -8.181 0.281 -0.438 1024 QG MET 106 QG MET 106 -6.653 -0.857 0.803 1025 ME MET 106 QE MET 106 -6.139 -3.700 1.688 1026 H GLN 107 H GLN 107 -6.275 -2.233 -3.353 1027 HA GLN 107 HA GLN 107 -8.851 -3.415 -3.981 1028 1HB GLN 107 2HB GLN 107 -6.283 -3.420 -5.515 1029 2HB GLN 107 1HB GLN 107 -7.517 -4.638 -5.805 1030 1HG GLN 107 2HG GLN 107 -7.981 -1.670 -5.970 1031 2HG GLN 107 1HG GLN 107 -7.619 -2.706 -7.350 1032 1HE2 GLN 107 1HE2 GLN 107 -9.993 -1.116 -6.794 1033 2HE2 GLN 107 2HE2 GLN 107 -11.320 -2.221 -6.804 1034 QB GLN 107 QB GLN 107 -6.900 -4.029 -5.660 1035 QG GLN 107 QG GLN 107 -7.800 -2.188 -6.660 1036 QE GLN 107 QE2 GLN 107 -10.657 -1.669 -6.799 1037 H LEU 108 H LEU 108 -9.211 -4.640 -2.341 1038 HA LEU 108 HA LEU 108 -7.839 -7.168 -2.325 1039 1HB LEU 108 2HB LEU 108 -6.887 -5.883 -0.413 1040 2HB LEU 108 1HB LEU 108 -8.491 -5.551 0.175 1041 HG LEU 108 HG LEU 108 -7.110 -7.286 1.436 1042 1HD1 LEU 108 3HD1 LEU 108 -9.484 -7.080 1.838 1043 2HD1 LEU 108 2HD1 LEU 108 -9.824 -8.147 0.470 1044 3HD1 LEU 108 1HD1 LEU 108 -8.984 -8.770 1.889 1045 1HD2 LEU 108 1HD2 LEU 108 -7.812 -8.983 -0.951 1046 2HD2 LEU 108 3HD2 LEU 108 -6.191 -8.500 -0.450 1047 3HD2 LEU 108 2HD2 LEU 108 -7.143 -9.580 0.568 1048 MD1 LEU 108 QD1 LEU 108 -9.431 -7.999 1.399 1049 MD2 LEU 108 QD2 LEU 108 -7.049 -9.021 -0.278 1050 QB LEU 108 QB LEU 108 -7.689 -5.717 -0.119 1051 QD LEU 108 QQD LEU 108 -8.240 -8.510 0.561 1052 H SER 109 H SER 109 -9.324 -8.649 -2.639 1053 HA SER 109 HA SER 109 -11.259 -9.699 -2.961 1054 1HB SER 109 2HB SER 109 -12.306 -7.917 -0.739 1055 2HB SER 109 1HB SER 109 -13.134 -9.335 -1.382 1056 HG SER 109 HG SER 109 -10.646 -10.012 -0.747 1057 QB SER 109 QB SER 109 -12.720 -8.626 -1.060 1058 H CYS 110 H CYS 110 -13.601 -9.371 -3.567 1059 HA CYS 110 HA CYS 110 -13.902 -7.264 -5.459 1060 1HB CYS 110 2HB CYS 110 -14.922 -9.375 -5.946 1061 2HB CYS 110 1HB CYS 110 -15.712 -9.448 -4.389 1062 HG CYS 110 HG CYS 110 -16.836 -8.315 -7.246 1063 QB CYS 110 QB CYS 110 -15.317 -9.412 -5.168 1064 H SER 111 H SER 111 -15.258 -5.413 -5.220 1065 HA SER 111 HA SER 111 -15.356 -4.296 -2.670 1066 1HB SER 111 2HB SER 111 -16.897 -3.484 -5.149 1067 2HB SER 111 1HB SER 111 -16.583 -2.474 -3.739 1068 HG SER 111 HG SER 111 -14.495 -2.361 -4.224 1069 QB SER 111 QB SER 111 -16.740 -2.979 -4.444 1070 H GLU 112 H GLU 112 -17.795 -5.958 -4.583 1071 HA GLU 112 HA GLU 112 -19.680 -5.606 -2.411 1072 1HB GLU 112 2HB GLU 112 -20.027 -7.020 -5.054 1073 2HB GLU 112 1HB GLU 112 -21.278 -6.867 -3.828 1074 1HG GLU 112 2HG GLU 112 -21.111 -4.418 -4.054 1075 2HG GLU 112 1HG GLU 112 -19.975 -4.655 -5.384 1076 QB GLU 112 QB GLU 112 -20.653 -6.943 -4.441 1077 QG GLU 112 QG GLU 112 -20.543 -4.536 -4.719 1078 H ALA 113 H ALA 113 -19.084 -8.522 -4.305 1079 HA ALA 113 HA ALA 113 -18.759 -10.688 -3.802 1080 1HB ALA 113 3HB ALA 113 -16.652 -9.782 -2.759 1081 2HB ALA 113 2HB ALA 113 -17.498 -9.786 -1.220 1082 3HB ALA 113 1HB ALA 113 -17.222 -11.305 -2.062 1083 MB ALA 113 QB ALA 113 -17.124 -10.291 -2.014 1084 H ASP 114 H ASP 114 -20.931 -8.935 -2.158 1085 HA ASP 114 HA ASP 114 -21.502 -10.500 0.107 1086 1HB ASP 114 2HB ASP 114 -23.438 -9.178 0.418 1087 2HB ASP 114 1HB ASP 114 -22.189 -8.118 -0.215 1088 QB ASP 114 QB ASP 114 -22.814 -8.648 0.102 1089 H MET 115 H MET 115 -22.664 -10.573 -3.157 1090 HA MET 115 HA MET 115 -24.776 -12.369 -2.681 1091 1HB MET 115 2HB MET 115 -23.248 -11.806 -5.213 1092 2HB MET 115 1HB MET 115 -24.654 -12.855 -5.151 1093 1HG MET 115 2HG MET 115 -24.605 -9.963 -4.367 1094 2HG MET 115 1HG MET 115 -25.196 -10.574 -5.912 1095 1HE MET 115 1HE MET 115 -26.952 -8.668 -4.283 1096 2HE MET 115 3HE MET 115 -27.542 -9.494 -5.725 1097 3HE MET 115 2HE MET 115 -28.510 -9.494 -4.254 1098 QB MET 115 QB MET 115 -23.951 -12.331 -5.182 1099 QG MET 115 QG MET 115 -24.901 -10.268 -5.139 1100 ME MET 115 QE MET 115 -27.668 -9.219 -4.754 1101 H ARG 116 H ARG 116 -21.446 -12.732 -2.942 1102 HA ARG 116 HA ARG 116 -19.968 -14.315 -2.959 1103 1HB ARG 116 2HB ARG 116 -20.334 -16.224 -1.340 1104 2HB ARG 116 1HB ARG 116 -20.498 -14.582 -0.712 1105 1HG ARG 116 2HG ARG 116 -22.932 -14.898 -0.842 1106 2HG ARG 116 1HG ARG 116 -22.675 -16.568 -1.342 1107 1HD ARG 116 2HD ARG 116 -21.724 -15.295 1.211 1108 2HD ARG 116 1HD ARG 116 -23.073 -16.437 1.082 1109 HE ARG 116 HE ARG 116 -20.328 -17.173 0.342 1110 1HH1 ARG 116 1HH1 ARG 116 -23.246 -17.863 2.274 1111 2HH1 ARG 116 2HH1 ARG 116 -22.569 -19.197 3.024 1112 1HH2 ARG 116 1HH2 ARG 116 -19.444 -19.064 1.371 1113 2HH2 ARG 116 2HH2 ARG 116 -20.384 -19.926 2.500 1114 QB ARG 116 QB ARG 116 -20.416 -15.403 -1.026 1115 QG ARG 116 QG ARG 116 -22.803 -15.733 -1.092 1116 QD ARG 116 QD ARG 116 -22.399 -15.866 1.147 1117 QH1 ARG 116 QH1 ARG 116 -22.907 -18.530 2.649 1118 QH2 ARG 116 QH2 ARG 116 -19.914 -19.495 1.935 1119 H SER 117 H SER 117 -22.390 -14.931 -4.945 1120 HA SER 117 HA SER 117 -22.143 -17.617 -5.631 1121 1HB SER 117 2HB SER 117 -23.082 -16.629 -7.828 1122 2HB SER 117 1HB SER 117 -24.032 -16.420 -6.349 1123 HG SER 117 HG SER 117 -23.126 -14.533 -7.941 1124 QB SER 117 QB SER 117 -23.557 -16.525 -7.088 1125 H LEU 118 H LEU 118 -20.056 -15.048 -5.964 1126 HA LEU 118 HA LEU 118 -18.597 -15.478 -8.328 1127 1HB LEU 118 2HB LEU 118 -17.562 -14.483 -5.679 1128 2HB LEU 118 1HB LEU 118 -16.801 -14.248 -7.236 1129 HG LEU 118 HG LEU 118 -19.443 -13.062 -6.375 1130 1HD1 LEU 118 1HD1 LEU 118 -16.724 -11.804 -6.712 1131 2HD1 LEU 118 3HD1 LEU 118 -18.222 -10.944 -6.355 1132 3HD1 LEU 118 2HD1 LEU 118 -17.566 -12.092 -5.191 1133 1HD2 LEU 118 1HD2 LEU 118 -17.803 -12.650 -8.875 1134 2HD2 LEU 118 3HD2 LEU 118 -19.379 -13.440 -8.782 1135 3HD2 LEU 118 2HD2 LEU 118 -19.224 -11.719 -8.428 1136 MD1 LEU 118 QD1 LEU 118 -17.504 -11.613 -6.086 1137 MD2 LEU 118 QD2 LEU 118 -18.802 -12.603 -8.695 1138 QB LEU 118 QB LEU 118 -17.182 -14.365 -6.458 1139 QD LEU 118 QQD LEU 118 -18.153 -12.108 -7.391 1140 H GLY 119 H GLY 119 -18.633 -17.254 -5.357 1141 1HA GLY 119 1HA GLY 119 -16.032 -18.510 -5.956 1142 2HA GLY 119 2HA GLY 119 -17.453 -19.528 -5.815 1143 QA GLY 119 QA GLY 119 -16.743 -19.019 -5.886 1144 H LEU 120 H LEU 120 -17.851 -17.015 -3.736 1145 HA LEU 120 HA LEU 120 -16.297 -18.037 -1.514 1146 1HB LEU 120 2HB LEU 120 -16.847 -15.595 -1.884 1147 2HB LEU 120 1HB LEU 120 -18.512 -16.048 -1.553 1148 HG LEU 120 HG LEU 120 -17.817 -16.776 0.720 1149 1HD1 LEU 120 3HD1 LEU 120 -15.216 -15.453 0.007 1150 2HD1 LEU 120 2HD1 LEU 120 -15.698 -15.956 1.626 1151 3HD1 LEU 120 1HD1 LEU 120 -15.476 -17.160 0.357 1152 1HD2 LEU 120 2HD2 LEU 120 -17.419 -13.889 -0.053 1153 2HD2 LEU 120 1HD2 LEU 120 -18.907 -14.666 0.489 1154 3HD2 LEU 120 3HD2 LEU 120 -17.567 -14.447 1.613 1155 MD1 LEU 120 QD1 LEU 120 -15.463 -16.189 0.664 1156 MD2 LEU 120 QD2 LEU 120 -17.964 -14.334 0.683 1157 QB LEU 120 QB LEU 120 -17.679 -15.821 -1.718 1158 QD LEU 120 QQD LEU 120 -16.714 -15.262 0.673 1159 H ALA 121 H ALA 121 -19.425 -18.404 -2.905 1160 HA ALA 121 HA ALA 121 -20.591 -19.441 -0.569 1161 1HB ALA 121 3HB ALA 121 -21.629 -19.462 -3.408 1162 2HB ALA 121 2HB ALA 121 -22.563 -19.899 -1.979 1163 3HB ALA 121 1HB ALA 121 -21.997 -18.245 -2.184 1164 MB ALA 121 QB ALA 121 -22.063 -19.202 -2.524 1165 H GLU 122 H GLU 122 -19.250 -21.115 -0.129 1166 HA GLU 122 HA GLU 122 -18.580 -23.115 -2.015 1167 1HB GLU 122 2HB GLU 122 -17.070 -22.666 -0.180 1168 2HB GLU 122 1HB GLU 122 -18.307 -23.086 0.990 1169 1HG GLU 122 2HG GLU 122 -18.246 -25.388 0.330 1170 2HG GLU 122 1HG GLU 122 -17.163 -25.018 -1.006 1171 QB GLU 122 QB GLU 122 -17.688 -22.876 0.405 1172 QG GLU 122 QG GLU 122 -17.704 -25.203 -0.338 1173 H SER 123 H SER 123 -20.014 -24.352 -2.858 1174 HA SER 123 HA SER 123 -22.331 -25.307 -1.560 1175 1HB SER 123 2HB SER 123 -20.911 -26.302 -4.042 1176 2HB SER 123 1HB SER 123 -22.576 -26.664 -3.583 1177 HG SER 123 HG SER 123 -21.991 -24.844 -5.126 1178 QB SER 123 QB SER 123 -21.744 -26.483 -3.812 1179 H ARG 124 H ARG 124 -22.564 -27.260 -0.455 1180 HA ARG 124 HA ARG 124 -20.284 -28.956 -0.392 1181 1HB ARG 124 2HB ARG 124 -20.295 -29.156 2.050 1182 2HB ARG 124 1HB ARG 124 -19.825 -27.562 1.511 1183 1HG ARG 124 2HG ARG 124 -22.582 -28.232 2.492 1184 2HG ARG 124 1HG ARG 124 -21.292 -27.677 3.557 1185 1HD ARG 124 2HD ARG 124 -21.112 -25.626 2.176 1186 2HD ARG 124 1HD ARG 124 -22.473 -26.195 1.217 1187 HE ARG 124 HE ARG 124 -23.385 -26.236 3.761 1188 1HH1 ARG 124 1HH1 ARG 124 -21.939 -23.750 1.669 1189 2HH1 ARG 124 2HH1 ARG 124 -22.728 -22.456 2.447 1190 1HH2 ARG 124 1HH2 ARG 124 -24.481 -24.383 4.818 1191 2HH2 ARG 124 2HH2 ARG 124 -24.170 -22.816 4.222 1192 QB ARG 124 QB ARG 124 -20.060 -28.359 1.781 1193 QG ARG 124 QG ARG 124 -21.937 -27.955 3.025 1194 QD ARG 124 QD ARG 124 -21.793 -25.911 1.696 1195 QH1 ARG 124 QH1 ARG 124 -22.333 -23.103 2.058 1196 QH2 ARG 124 QH2 ARG 124 -24.325 -23.600 4.520 1197 H GLN 125 H GLN 125 -20.700 -30.797 -0.431 1198 HA GLN 125 HA GLN 125 -23.447 -31.779 -0.507 1199 1HB GLN 125 2HB GLN 125 -22.409 -33.787 -1.563 1200 2HB GLN 125 1HB GLN 125 -22.144 -32.278 -2.438 1201 1HG GLN 125 2HG GLN 125 -19.894 -32.131 -1.504 1202 2HG GLN 125 1HG GLN 125 -20.159 -33.623 -0.614 1203 1HE2 GLN 125 1HE2 GLN 125 -21.292 -33.132 -3.897 1204 2HE2 GLN 125 2HE2 GLN 125 -20.208 -34.230 -4.636 1205 QB GLN 125 QB GLN 125 -22.276 -33.032 -2.000 1206 QG GLN 125 QG GLN 125 -20.027 -32.877 -1.059 1207 QE GLN 125 QE2 GLN 125 -20.750 -33.681 -4.267 No H/Q in entry = 1207 Start of MODEL 20 1 H1 LEU 5 3HT LEU 5 -5.573 31.781 -22.264 2 H2 LEU 5 2HT LEU 5 -6.817 31.748 -23.402 3 H3 LEU 5 1HT LEU 5 -6.899 32.771 -22.045 4 HA LEU 5 HA LEU 5 -8.293 30.881 -21.629 5 1HB LEU 5 2HB LEU 5 -6.946 29.384 -23.158 6 2HB LEU 5 1HB LEU 5 -5.708 29.345 -21.920 7 HG LEU 5 HG LEU 5 -7.429 28.289 -20.398 8 1HD1 LEU 5 2HD1 LEU 5 -9.412 28.981 -21.654 9 2HD1 LEU 5 1HD1 LEU 5 -8.930 27.938 -22.985 10 3HD1 LEU 5 3HD1 LEU 5 -9.358 27.233 -21.425 11 1HD2 LEU 5 2HD2 LEU 5 -6.647 26.819 -22.911 12 2HD2 LEU 5 1HD2 LEU 5 -5.662 26.996 -21.458 13 3HD2 LEU 5 3HD2 LEU 5 -7.159 26.063 -21.405 14 MD1 LEU 5 QD1 LEU 5 -9.233 28.051 -22.021 15 MD2 LEU 5 QD2 LEU 5 -6.489 26.626 -21.925 16 QB LEU 5 QB LEU 5 -6.327 29.364 -22.539 17 QD LEU 5 QQD LEU 5 -7.861 27.338 -21.973 18 H GLU 6 H GLU 6 -8.456 30.331 -19.409 19 HA GLU 6 HA GLU 6 -6.636 31.680 -17.700 20 1HB GLU 6 2HB GLU 6 -9.072 31.427 -17.153 21 2HB GLU 6 1HB GLU 6 -8.719 29.697 -17.057 22 1HG GLU 6 2HG GLU 6 -8.984 30.953 -14.934 23 2HG GLU 6 1HG GLU 6 -7.531 29.945 -15.058 24 QB GLU 6 QB GLU 6 -8.895 30.562 -17.105 25 QG GLU 6 QG GLU 6 -8.258 30.449 -14.996 26 H ALA 7 H ALA 7 -5.346 30.735 -16.159 27 HA ALA 7 HA ALA 7 -3.609 28.803 -17.274 28 1HB ALA 7 2HB ALA 7 -3.682 29.824 -14.446 29 2HB ALA 7 1HB ALA 7 -2.351 28.964 -15.229 30 3HB ALA 7 3HB ALA 7 -2.813 30.572 -15.788 31 MB ALA 7 QB ALA 7 -2.948 29.787 -15.154 32 H ASP 8 H ASP 8 -3.485 26.740 -17.070 33 HA ASP 8 HA ASP 8 -5.320 25.366 -15.246 34 1HB ASP 8 2HB ASP 8 -5.706 25.040 -17.675 35 2HB ASP 8 1HB ASP 8 -4.079 24.425 -17.835 36 QB ASP 8 QB ASP 8 -4.893 24.732 -17.755 37 H VAL 9 H VAL 9 -4.400 23.427 -14.209 38 HA VAL 9 HA VAL 9 -1.948 23.808 -13.281 39 HB VAL 9 HB VAL 9 -2.016 21.460 -12.388 40 1HG1 VAL 9 3HG1 VAL 9 -4.432 23.223 -11.980 41 2HG1 VAL 9 2HG1 VAL 9 -3.932 21.921 -10.898 42 3HG1 VAL 9 1HG1 VAL 9 -2.899 23.329 -11.122 43 1HG2 VAL 9 3HG2 VAL 9 -4.639 21.490 -13.823 44 2HG2 VAL 9 2HG2 VAL 9 -3.252 20.465 -14.199 45 3HG2 VAL 9 1HG2 VAL 9 -4.132 20.237 -12.673 46 MG1 VAL 9 QG1 VAL 9 -3.754 22.825 -11.333 47 MG2 VAL 9 QG2 VAL 9 -4.008 20.731 -13.565 48 QG VAL 9 QQG VAL 9 -3.881 21.778 -12.449 49 H THR 10 H THR 10 -2.958 21.972 -16.063 50 HA THR 10 HA THR 10 -1.891 20.676 -17.626 51 HB THR 10 HB THR 10 -0.056 21.674 -18.665 52 HG1 THR 10 1HG THR 10 0.213 23.038 -16.239 53 1HG2 THR 10 2HG2 THR 10 -2.221 22.612 -19.171 54 2HG2 THR 10 1HG2 THR 10 -2.080 23.747 -17.829 55 3HG2 THR 10 3HG2 THR 10 -1.016 23.900 -19.229 56 MG THR 10 QG2 THR 10 -1.772 23.420 -18.743 57 H MET 11 H MET 11 1.158 20.842 -17.700 58 HA MET 11 HA MET 11 1.600 18.427 -16.201 59 1HB MET 11 2HB MET 11 3.377 20.141 -17.944 60 2HB MET 11 1HB MET 11 3.898 18.661 -17.160 61 1HG MET 11 2HG MET 11 2.361 17.367 -18.459 62 2HG MET 11 1HG MET 11 1.636 18.821 -19.136 63 1HE MET 11 1HE MET 11 4.933 16.652 -18.940 64 2HE MET 11 3HE MET 11 5.975 17.528 -20.058 65 3HE MET 11 2HE MET 11 5.506 18.273 -18.535 66 QB MET 11 QB MET 11 3.638 19.401 -17.552 67 QG MET 11 QG MET 11 1.998 18.094 -18.797 68 ME MET 11 QE MET 11 5.472 17.484 -19.178 69 H THR 12 H THR 12 1.770 18.807 -14.038 70 HA THR 12 HA THR 12 2.799 21.203 -12.933 71 HB THR 12 HB THR 12 2.694 19.962 -10.904 72 HG1 THR 12 1HG THR 12 1.452 17.812 -11.124 73 1HG2 THR 12 2HG2 THR 12 0.801 21.295 -11.634 74 2HG2 THR 12 1HG2 THR 12 0.180 19.953 -12.588 75 3HG2 THR 12 3HG2 THR 12 0.193 19.849 -10.827 76 MG THR 12 QG2 THR 12 0.391 20.366 -11.683 77 H GLY 13 H GLY 13 3.949 17.938 -12.411 78 1HA GLY 13 1HA GLY 13 6.644 18.344 -13.203 79 2HA GLY 13 2HA GLY 13 6.087 17.076 -12.110 80 QA GLY 13 QA GLY 13 6.365 17.710 -12.656 81 H SER 14 H SER 14 5.263 18.208 -9.953 82 HA SER 14 HA SER 14 7.072 20.335 -9.174 83 1HB SER 14 2HB SER 14 4.528 19.362 -7.876 84 2HB SER 14 1HB SER 14 5.399 20.867 -7.574 85 HG SER 14 HG SER 14 5.023 21.235 -9.908 86 QB SER 14 QB SER 14 4.963 20.115 -7.725 87 H ASP 15 H ASP 15 6.026 19.376 -6.353 88 HA ASP 15 HA ASP 15 8.323 17.759 -5.833 89 1HB ASP 15 2HB ASP 15 7.654 18.502 -3.469 90 2HB ASP 15 1HB ASP 15 8.651 19.609 -4.365 91 QB ASP 15 QB ASP 15 8.152 19.055 -3.917 92 H LEU 16 H LEU 16 6.503 16.487 -6.855 93 HA LEU 16 HA LEU 16 5.408 14.927 -4.653 94 1HB LEU 16 2HB LEU 16 4.633 14.737 -7.516 95 2HB LEU 16 1HB LEU 16 3.830 13.959 -6.156 96 HG LEU 16 HG LEU 16 2.350 15.568 -6.658 97 1HD1 LEU 16 3HD1 LEU 16 4.110 17.057 -4.799 98 2HD1 LEU 16 2HD1 LEU 16 2.448 17.498 -5.204 99 3HD1 LEU 16 1HD1 LEU 16 2.792 15.957 -4.404 100 1HD2 LEU 16 3HD2 LEU 16 4.595 17.295 -7.583 101 2HD2 LEU 16 2HD2 LEU 16 3.381 16.381 -8.491 102 3HD2 LEU 16 1HD2 LEU 16 2.876 17.795 -7.559 103 MD1 LEU 16 QD1 LEU 16 3.117 16.837 -4.802 104 MD2 LEU 16 QD2 LEU 16 3.618 17.157 -7.878 105 QB LEU 16 QB LEU 16 4.232 14.348 -6.836 106 QD LEU 16 QQD LEU 16 3.367 16.997 -6.340 107 H VAL 17 H VAL 17 5.498 12.748 -4.856 108 HA VAL 17 HA VAL 17 7.593 11.823 -6.393 109 HB VAL 17 HB VAL 17 7.665 12.062 -3.399 110 1HG1 VAL 17 2HG1 VAL 17 9.013 10.112 -5.091 111 2HG1 VAL 17 1HG1 VAL 17 9.597 10.515 -3.424 112 3HG1 VAL 17 3HG1 VAL 17 7.958 9.833 -3.664 113 1HG2 VAL 17 3HG2 VAL 17 8.871 13.702 -4.841 114 2HG2 VAL 17 2HG2 VAL 17 9.902 12.849 -3.695 115 3HG2 VAL 17 1HG2 VAL 17 9.890 12.381 -5.394 116 MG1 VAL 17 QG1 VAL 17 8.856 10.153 -4.060 117 MG2 VAL 17 QG2 VAL 17 9.554 12.978 -4.643 118 QG VAL 17 QQG VAL 17 9.205 11.565 -4.352 119 H SER 18 H SER 18 7.408 9.499 -6.383 120 HA SER 18 HA SER 18 5.155 8.349 -4.916 121 1HB SER 18 2HB SER 18 4.649 6.879 -6.844 122 2HB SER 18 1HB SER 18 4.383 8.578 -7.208 123 HG SER 18 HG SER 18 6.849 7.363 -7.755 124 QB SER 18 QB SER 18 4.516 7.728 -7.026 125 H CYS 19 H CYS 19 5.963 7.002 -3.553 126 HA CYS 19 HA CYS 19 8.291 5.430 -4.302 127 1HB CYS 19 2HB CYS 19 6.891 5.793 -1.632 128 2HB CYS 19 1HB CYS 19 8.273 4.738 -1.889 129 HG CYS 19 HG CYS 19 9.968 6.513 -1.253 130 QB CYS 19 QB CYS 19 7.582 5.265 -1.761 131 H CYS 20 H CYS 20 7.872 3.589 -5.236 132 HA CYS 20 HA CYS 20 5.215 2.404 -4.928 133 1HB CYS 20 2HB CYS 20 7.336 1.852 -7.023 134 2HB CYS 20 1HB CYS 20 5.665 1.312 -7.032 135 HG CYS 20 HG CYS 20 6.844 3.825 -8.540 136 QB CYS 20 QB CYS 20 6.500 1.582 -7.027 137 H TYR 21 H TYR 21 5.148 0.283 -3.992 138 HA TYR 21 HA TYR 21 7.781 -0.902 -3.660 139 1HB TYR 21 2HB TYR 21 7.774 -1.020 -1.421 140 2HB TYR 21 1HB TYR 21 7.171 0.569 -1.736 141 HD1 TYR 21 1HD TYR 21 5.893 -2.851 -0.801 142 HD2 TYR 21 2HD TYR 21 5.424 1.363 -0.542 143 HE1 TYR 21 1HE TYR 21 4.121 -3.144 0.895 144 HE2 TYR 21 2HE TYR 21 3.696 1.064 1.131 145 HH TYR 21 HH TYR 21 2.091 -0.709 1.895 146 QB TYR 21 QB TYR 21 7.473 -0.225 -1.578 147 QD TYR 21 QD TYR 21 5.659 -0.744 -0.672 148 QE TYR 21 QE TYR 21 3.908 -1.040 1.013 149 QR TYR 21 QR TYR 21 4.784 -0.892 0.171 150 H ARG 22 H ARG 22 7.735 -3.044 -2.920 151 HA ARG 22 HA ARG 22 5.283 -4.540 -3.612 152 1HB ARG 22 2HB ARG 22 6.691 -6.382 -4.179 153 2HB ARG 22 1HB ARG 22 7.423 -4.961 -4.912 154 1HG ARG 22 2HG ARG 22 9.035 -4.805 -3.111 155 2HG ARG 22 1HG ARG 22 8.296 -6.185 -2.309 156 1HD ARG 22 2HD ARG 22 8.789 -7.497 -4.338 157 2HD ARG 22 1HD ARG 22 9.731 -6.104 -4.918 158 HE ARG 22 HE ARG 22 10.466 -6.948 -2.282 159 1HH1 ARG 22 1HH1 ARG 22 11.044 -7.640 -5.709 160 2HH1 ARG 22 2HH1 ARG 22 12.564 -8.360 -5.438 161 1HH2 ARG 22 1HH2 ARG 22 12.588 -7.975 -1.924 162 2HH2 ARG 22 2HH2 ARG 22 13.455 -8.511 -3.266 163 QB ARG 22 QB ARG 22 7.057 -5.671 -4.546 164 QG ARG 22 QG ARG 22 8.665 -5.495 -2.710 165 QD ARG 22 QD ARG 22 9.260 -6.801 -4.628 166 QH1 ARG 22 QH1 ARG 22 11.804 -8.000 -5.574 167 QH2 ARG 22 QH2 ARG 22 13.021 -8.243 -2.595 168 H SER 23 H SER 23 4.780 -6.303 -2.173 169 HA SER 23 HA SER 23 6.563 -6.734 -0.034 170 1HB SER 23 2HB SER 23 3.755 -5.820 0.561 171 2HB SER 23 1HB SER 23 4.664 -6.808 1.708 172 HG SER 23 HG SER 23 5.795 -4.543 0.577 173 QB SER 23 QB SER 23 4.209 -6.314 1.134 174 H LEU 24 H LEU 24 6.533 -8.780 0.718 175 HA LEU 24 HA LEU 24 5.006 -10.609 -0.918 176 1HB LEU 24 2HB LEU 24 7.427 -10.847 0.838 177 2HB LEU 24 1HB LEU 24 6.575 -12.311 0.352 178 HG LEU 24 HG LEU 24 8.505 -11.952 -1.049 179 1HD1 LEU 24 3HD1 LEU 24 6.560 -12.899 -2.144 180 2HD1 LEU 24 2HD1 LEU 24 6.028 -11.275 -2.598 181 3HD1 LEU 24 1HD1 LEU 24 7.523 -11.924 -3.254 182 1HD2 LEU 24 1HD2 LEU 24 7.332 -9.256 -1.709 183 2HD2 LEU 24 3HD2 LEU 24 8.810 -9.549 -0.791 184 3HD2 LEU 24 2HD2 LEU 24 8.724 -9.969 -2.505 185 MD1 LEU 24 QD1 LEU 24 6.703 -12.033 -2.665 186 MD2 LEU 24 QD2 LEU 24 8.289 -9.591 -1.668 187 QB LEU 24 QB LEU 24 7.001 -11.579 0.595 188 QD LEU 24 QQD LEU 24 7.496 -10.812 -2.167 189 H ALA 25 H ALA 25 3.429 -9.279 0.801 190 HA ALA 25 HA ALA 25 2.498 -9.290 3.086 191 1HB ALA 25 2HB ALA 25 0.984 -9.201 1.180 192 2HB ALA 25 1HB ALA 25 0.805 -10.961 1.246 193 3HB ALA 25 3HB ALA 25 0.279 -9.954 2.602 194 MB ALA 25 QB ALA 25 0.689 -10.038 1.676 195 H ALA 26 H ALA 26 2.518 -10.242 5.108 196 HA ALA 26 HA ALA 26 3.550 -12.759 5.243 197 1HB ALA 26 3HB ALA 26 4.210 -11.091 6.813 198 2HB ALA 26 2HB ALA 26 2.549 -10.810 7.319 199 3HB ALA 26 1HB ALA 26 3.342 -12.344 7.695 200 MB ALA 26 QB ALA 26 3.367 -11.415 7.276 201 HA PRO 27 HA PRO 27 -0.576 -14.692 5.133 202 1HB PRO 27 2HB PRO 27 0.293 -17.190 5.674 203 2HB PRO 27 1HB PRO 27 0.557 -16.401 4.106 204 1HG PRO 27 2HG PRO 27 2.392 -16.272 6.487 205 2HG PRO 27 1HG PRO 27 2.802 -17.020 4.886 206 1HD PRO 27 2HD PRO 27 3.527 -14.672 5.497 207 2HD PRO 27 1HD PRO 27 2.651 -14.836 3.956 208 QB PRO 27 QB PRO 27 0.425 -16.795 4.890 209 QG PRO 27 QG PRO 27 2.597 -16.646 5.686 210 QD PRO 27 QD PRO 27 3.089 -14.754 4.727 211 H ASP 28 H ASP 28 1.257 -14.063 7.670 212 HA ASP 28 HA ASP 28 -0.417 -15.516 9.596 213 1HB ASP 28 2HB ASP 28 1.371 -15.190 11.268 214 2HB ASP 28 1HB ASP 28 1.943 -16.043 9.843 215 QB ASP 28 QB ASP 28 1.657 -15.617 10.556 216 H LEU 29 H LEU 29 -0.777 -12.857 8.163 217 HA LEU 29 HA LEU 29 -0.869 -10.973 10.360 218 1HB LEU 29 2HB LEU 29 -1.800 -10.735 7.527 219 2HB LEU 29 1HB LEU 29 -1.828 -9.442 8.709 220 HG LEU 29 HG LEU 29 0.579 -10.796 7.560 221 1HD1 LEU 29 3HD1 LEU 29 -0.646 -9.246 6.089 222 2HD1 LEU 29 2HD1 LEU 29 -0.421 -7.978 7.298 223 3HD1 LEU 29 1HD1 LEU 29 0.983 -8.683 6.489 224 1HD2 LEU 29 3HD2 LEU 29 0.363 -8.610 9.629 225 2HD2 LEU 29 2HD2 LEU 29 1.043 -10.225 9.846 226 3HD2 LEU 29 1HD2 LEU 29 1.854 -9.071 8.801 227 MD1 LEU 29 QD1 LEU 29 -0.028 -8.636 6.625 228 MD2 LEU 29 QD2 LEU 29 1.087 -9.302 9.425 229 QB LEU 29 QB LEU 29 -1.814 -10.088 8.118 230 QD LEU 29 QQD LEU 29 0.529 -8.969 8.025 231 H THR 30 H THR 30 -2.822 -9.717 10.699 232 HA THR 30 HA THR 30 -5.249 -11.302 10.623 233 HB THR 30 HB THR 30 -5.778 -9.265 12.060 234 HG1 THR 30 1HG THR 30 -4.105 -8.379 12.955 235 1HG2 THR 30 2HG2 THR 30 -4.525 -11.851 12.847 236 2HG2 THR 30 1HG2 THR 30 -5.292 -10.741 14.025 237 3HG2 THR 30 3HG2 THR 30 -6.234 -11.367 12.671 238 MG THR 30 QG2 THR 30 -5.350 -11.320 13.181 239 H LEU 31 H LEU 31 -6.690 -10.809 9.295 240 HA LEU 31 HA LEU 31 -6.800 -8.789 7.336 241 1HB LEU 31 2HB LEU 31 -8.195 -10.920 7.628 242 2HB LEU 31 1HB LEU 31 -9.016 -9.901 8.820 243 HG LEU 31 HG LEU 31 -9.656 -8.328 7.066 244 1HD1 LEU 31 1HD1 LEU 31 -8.510 -10.366 5.172 245 2HD1 LEU 31 3HD1 LEU 31 -9.468 -8.959 4.713 246 3HD1 LEU 31 2HD1 LEU 31 -7.890 -8.739 5.463 247 1HD2 LEU 31 2HD2 LEU 31 -11.191 -10.047 7.778 248 2HD2 LEU 31 1HD2 LEU 31 -11.400 -9.714 6.055 249 3HD2 LEU 31 3HD2 LEU 31 -10.540 -11.167 6.581 250 MD1 LEU 31 QD1 LEU 31 -8.623 -9.355 5.116 251 MD2 LEU 31 QD2 LEU 31 -11.044 -10.309 6.805 252 QB LEU 31 QB LEU 31 -8.606 -10.411 8.224 253 QD LEU 31 QQD LEU 31 -9.833 -9.832 5.960 254 H ARG 32 H ARG 32 -8.056 -8.753 10.648 255 HA ARG 32 HA ARG 32 -9.535 -6.394 10.181 256 1HB ARG 32 2HB ARG 32 -9.943 -7.823 12.164 257 2HB ARG 32 1HB ARG 32 -8.401 -7.293 12.834 258 1HG ARG 32 2HG ARG 32 -10.078 -5.940 13.880 259 2HG ARG 32 1HG ARG 32 -9.234 -4.967 12.654 260 1HD ARG 32 2HD ARG 32 -11.031 -5.279 11.072 261 2HD ARG 32 1HD ARG 32 -11.897 -6.305 12.218 262 HE ARG 32 HE ARG 32 -11.591 -4.072 13.613 263 1HH1 ARG 32 1HH1 ARG 32 -12.871 -4.605 10.332 264 2HH1 ARG 32 2HH1 ARG 32 -13.799 -3.193 10.318 265 1HH2 ARG 32 1HH2 ARG 32 -12.870 -2.141 13.586 266 2HH2 ARG 32 2HH2 ARG 32 -13.805 -1.740 12.217 267 QB ARG 32 QB ARG 32 -9.172 -7.558 12.499 268 QG ARG 32 QG ARG 32 -9.656 -5.453 13.267 269 QD ARG 32 QD ARG 32 -11.464 -5.792 11.645 270 QH1 ARG 32 QH1 ARG 32 -13.335 -3.899 10.325 271 QH2 ARG 32 QH2 ARG 32 -13.337 -1.941 12.901 272 H ASP 33 H ASP 33 -6.230 -6.968 10.988 273 HA ASP 33 HA ASP 33 -5.691 -4.236 11.571 274 1HB ASP 33 2HB ASP 33 -3.860 -6.583 11.073 275 2HB ASP 33 1HB ASP 33 -3.282 -4.968 11.477 276 QB ASP 33 QB ASP 33 -3.571 -5.775 11.275 277 H LEU 34 H LEU 34 -5.701 -6.219 8.648 278 HA LEU 34 HA LEU 34 -4.396 -4.165 7.057 279 1HB LEU 34 2HB LEU 34 -6.273 -6.355 6.173 280 2HB LEU 34 1HB LEU 34 -5.618 -5.165 5.079 281 HG LEU 34 HG LEU 34 -4.444 -7.207 4.799 282 1HD1 LEU 34 3HD1 LEU 34 -3.089 -5.198 4.631 283 2HD1 LEU 34 2HD1 LEU 34 -2.699 -5.312 6.346 284 3HD1 LEU 34 1HD1 LEU 34 -2.152 -6.564 5.238 285 1HD2 LEU 34 2HD2 LEU 34 -5.073 -8.035 6.938 286 2HD2 LEU 34 1HD2 LEU 34 -3.333 -8.349 6.585 287 3HD2 LEU 34 3HD2 LEU 34 -3.823 -7.026 7.677 288 MD1 LEU 34 QD1 LEU 34 -2.647 -5.691 5.405 289 MD2 LEU 34 QD2 LEU 34 -4.076 -7.803 7.067 290 QB LEU 34 QB LEU 34 -5.945 -5.760 5.626 291 QD LEU 34 QQD LEU 34 -3.361 -6.747 6.236 292 H LEU 35 H LEU 35 -7.567 -4.865 7.969 293 HA LEU 35 HA LEU 35 -8.581 -2.691 6.295 294 1HB LEU 35 2HB LEU 35 -10.230 -4.065 8.383 295 2HB LEU 35 1HB LEU 35 -10.713 -3.438 6.820 296 HG LEU 35 HG LEU 35 -9.386 -6.019 7.493 297 1HD1 LEU 35 3HD1 LEU 35 -11.762 -5.371 5.876 298 2HD1 LEU 35 2HD1 LEU 35 -11.027 -6.977 6.075 299 3HD1 LEU 35 1HD1 LEU 35 -11.662 -6.104 7.489 300 1HD2 LEU 35 1HD2 LEU 35 -9.342 -4.827 4.708 301 2HD2 LEU 35 3HD2 LEU 35 -8.013 -5.155 5.832 302 3HD2 LEU 35 2HD2 LEU 35 -8.895 -6.510 5.169 303 MD1 LEU 35 QD1 LEU 35 -11.483 -6.151 6.480 304 MD2 LEU 35 QD2 LEU 35 -8.750 -5.497 5.237 305 QB LEU 35 QB LEU 35 -10.471 -3.751 7.602 306 QD LEU 35 QQD LEU 35 -10.117 -5.824 5.858 307 H ASP 36 H ASP 36 -7.417 -3.008 9.405 308 HA ASP 36 HA ASP 36 -8.399 -0.392 10.208 309 1HB ASP 36 2HB ASP 36 -7.441 -1.944 11.930 310 2HB ASP 36 1HB ASP 36 -5.854 -1.726 11.189 311 QB ASP 36 QB ASP 36 -6.647 -1.835 11.559 312 H ILE 37 H ILE 37 -5.401 -1.653 8.872 313 HA ILE 37 HA ILE 37 -3.949 0.587 8.385 314 HB ILE 37 HB ILE 37 -4.259 -1.946 6.798 315 1HG1 ILE 37 2HG1 ILE 37 -1.807 -0.922 8.167 316 2HG1 ILE 37 1HG1 ILE 37 -3.027 -1.779 9.077 317 1HG2 ILE 37 2HG2 ILE 37 -2.336 0.284 6.111 318 2HG2 ILE 37 1HG2 ILE 37 -2.304 -1.339 5.425 319 3HG2 ILE 37 3HG2 ILE 37 -3.681 -0.282 5.124 320 1HD1 ILE 37 3HD1 ILE 37 -1.706 -2.834 6.626 321 2HD1 ILE 37 2HD1 ILE 37 -1.127 -3.140 8.272 322 3HD1 ILE 37 1HD1 ILE 37 -2.711 -3.728 7.753 323 MG ILE 37 QG2 ILE 37 -2.774 -0.446 5.554 324 MD ILE 37 QD1 ILE 37 -1.848 -3.234 7.550 325 QG ILE 37 QG1 ILE 37 -2.417 -1.351 8.622 326 H VAL 38 H VAL 38 -6.409 -0.819 6.186 327 HA VAL 38 HA VAL 38 -6.258 1.025 4.207 328 HB VAL 38 HB VAL 38 -8.377 0.262 3.443 329 1HG1 VAL 38 1HG1 VAL 38 -6.695 -1.298 3.227 330 2HG1 VAL 38 3HG1 VAL 38 -7.107 -2.003 4.787 331 3HG1 VAL 38 2HG1 VAL 38 -8.270 -2.067 3.455 332 1HG2 VAL 38 2HG2 VAL 38 -9.002 -0.705 6.214 333 2HG2 VAL 38 1HG2 VAL 38 -9.805 0.594 5.342 334 3HG2 VAL 38 3HG2 VAL 38 -9.968 -1.071 4.776 335 MG1 VAL 38 QG1 VAL 38 -7.357 -1.790 3.823 336 MG2 VAL 38 QG2 VAL 38 -9.592 -0.394 5.444 337 QG VAL 38 QQG VAL 38 -8.474 -1.092 4.634 338 H GLU 39 H GLU 39 -8.132 1.257 7.162 339 HA GLU 39 HA GLU 39 -9.430 3.690 6.533 340 1HB GLU 39 2HB GLU 39 -8.962 2.239 9.115 341 2HB GLU 39 1HB GLU 39 -9.956 3.678 8.994 342 1HG GLU 39 2HG GLU 39 -10.430 1.056 7.584 343 2HG GLU 39 1HG GLU 39 -11.305 1.663 8.987 344 QB GLU 39 QB GLU 39 -9.459 2.959 9.055 345 QG GLU 39 QG GLU 39 -10.867 1.359 8.286 346 H THR 40 H THR 40 -6.675 2.863 8.580 347 HA THR 40 HA THR 40 -6.092 5.445 9.440 348 HB THR 40 HB THR 40 -4.267 3.026 9.191 349 HG1 THR 40 1HG THR 40 -5.336 2.290 10.955 350 1HG2 THR 40 1HG2 THR 40 -4.107 5.465 11.001 351 2HG2 THR 40 3HG2 THR 40 -3.024 4.076 11.067 352 3HG2 THR 40 2HG2 THR 40 -3.026 5.130 9.648 353 MG THR 40 QG2 THR 40 -3.385 4.890 10.572 354 H SER 41 H SER 41 -5.063 3.657 6.576 355 HA SER 41 HA SER 41 -3.076 5.467 5.728 356 1HB SER 41 2HB SER 41 -4.692 3.483 4.111 357 2HB SER 41 1HB SER 41 -3.248 4.320 3.541 358 HG SER 41 HG SER 41 -3.449 2.520 5.719 359 QB SER 41 QB SER 41 -3.970 3.902 3.826 360 H GLN 42 H GLN 42 -6.484 5.101 4.720 361 HA GLN 42 HA GLN 42 -6.681 7.126 2.817 362 1HB GLN 42 2HB GLN 42 -8.613 6.173 4.881 363 2HB GLN 42 1HB GLN 42 -9.054 7.350 3.662 364 1HG GLN 42 2HG GLN 42 -8.822 5.851 1.934 365 2HG GLN 42 1HG GLN 42 -7.836 4.766 2.913 366 1HE2 GLN 42 1HE2 GLN 42 -9.611 4.882 5.194 367 2HE2 GLN 42 2HE2 GLN 42 -10.924 3.860 4.723 368 QB GLN 42 QB GLN 42 -8.834 6.761 4.272 369 QG GLN 42 QG GLN 42 -8.329 5.308 2.424 370 QE GLN 42 QE2 GLN 42 -10.267 4.371 4.959 371 H ALA 43 H ALA 43 -7.246 7.310 6.247 372 HA ALA 43 HA ALA 43 -7.967 10.017 6.309 373 1HB ALA 43 2HB ALA 43 -8.039 9.709 8.679 374 2HB ALA 43 3HB ALA 43 -6.975 8.290 8.562 375 3HB ALA 43 1HB ALA 43 -8.592 8.228 7.869 376 MB ALA 43 QB ALA 43 -7.869 8.742 8.370 377 H HIS 44 H HIS 44 -4.902 8.465 6.337 378 HA HIS 44 HA HIS 44 -3.521 10.839 7.332 379 1HB HIS 44 2HB HIS 44 -2.838 8.363 7.834 380 2HB HIS 44 1HB HIS 44 -2.268 8.420 6.159 381 HD1 HIS 44 1HD HIS 44 -1.557 9.998 9.500 382 HD2 HIS 44 2HD HIS 44 0.201 9.561 5.767 383 HE1 HIS 44 1HE HIS 44 0.746 10.905 9.720 384 HE2 HIS 44 2HE HIS 44 1.880 10.177 7.681 385 QB HIS 44 QB HIS 44 -2.553 8.391 6.997 386 H ASN 45 H ASN 45 -3.944 8.957 4.390 387 HA ASN 45 HA ASN 45 -2.174 10.456 2.830 388 1HB ASN 45 2HB ASN 45 -4.347 8.507 2.145 389 2HB ASN 45 1HB ASN 45 -3.555 9.433 0.875 390 1HD2 ASN 45 1HD2 ASN 45 -2.668 7.572 -0.009 391 2HD2 ASN 45 2HD2 ASN 45 -1.371 6.716 0.745 392 QB ASN 45 QB ASN 45 -3.951 8.970 1.510 393 QD ASN 45 QD2 ASN 45 -2.020 7.144 0.368 394 H ALA 46 H ALA 46 -5.682 10.643 3.215 395 HA ALA 46 HA ALA 46 -6.133 12.736 1.429 396 1HB ALA 46 2HB ALA 46 -8.145 13.182 2.743 397 2HB ALA 46 3HB ALA 46 -7.500 12.195 4.059 398 3HB ALA 46 1HB ALA 46 -7.922 11.444 2.515 399 MB ALA 46 QB ALA 46 -7.856 12.274 3.105 400 H ARG 47 H ARG 47 -5.082 12.690 4.754 401 HA ARG 47 HA ARG 47 -5.203 15.467 5.245 402 1HB ARG 47 2HB ARG 47 -5.051 13.526 6.899 403 2HB ARG 47 1HB ARG 47 -3.337 13.544 6.477 404 1HG ARG 47 2HG ARG 47 -3.050 15.749 7.332 405 2HG ARG 47 1HG ARG 47 -4.786 15.890 7.649 406 1HD ARG 47 2HD ARG 47 -2.892 13.939 8.910 407 2HD ARG 47 1HD ARG 47 -3.590 15.369 9.695 408 HE ARG 47 HE ARG 47 -5.698 13.865 8.757 409 1HH1 ARG 47 1HH1 ARG 47 -3.114 13.377 11.163 410 2HH1 ARG 47 2HH1 ARG 47 -4.019 12.291 12.087 411 1HH2 ARG 47 1HH2 ARG 47 -6.922 12.347 10.082 412 2HH2 ARG 47 2HH2 ARG 47 -6.176 11.713 11.476 413 QB ARG 47 QB ARG 47 -4.194 13.535 6.688 414 QG ARG 47 QG ARG 47 -3.918 15.820 7.491 415 QD ARG 47 QD ARG 47 -3.241 14.654 9.302 416 QH1 ARG 47 QH1 ARG 47 -3.567 12.834 11.625 417 QH2 ARG 47 QH2 ARG 47 -6.549 12.030 10.779 418 H ALA 48 H ALA 48 -2.472 13.304 4.475 419 HA ALA 48 HA ALA 48 -0.810 15.571 4.329 420 1HB ALA 48 2HB ALA 48 0.055 13.474 5.204 421 2HB ALA 48 3HB ALA 48 1.006 14.077 3.843 422 3HB ALA 48 1HB ALA 48 -0.114 12.727 3.610 423 MB ALA 48 QB ALA 48 0.316 13.426 4.219 424 H GLN 49 H GLN 49 -2.979 14.339 2.176 425 HA GLN 49 HA GLN 49 -3.619 14.923 0.112 426 1HB GLN 49 2HB GLN 49 -1.147 16.627 0.139 427 2HB GLN 49 1HB GLN 49 -2.342 16.682 -1.185 428 1HG GLN 49 2HG GLN 49 -3.682 17.924 0.084 429 2HG GLN 49 1HG GLN 49 -3.342 16.798 1.440 430 1HE2 GLN 49 1HE2 GLN 49 -1.901 17.284 2.933 431 2HE2 GLN 49 2HE2 GLN 49 -0.958 18.709 3.010 432 QB GLN 49 QB GLN 49 -1.745 16.654 -0.523 433 QG GLN 49 QG GLN 49 -3.512 17.361 0.762 434 QE GLN 49 QE2 GLN 49 -1.429 17.996 2.971 435 H LEU 50 H LEU 50 -1.976 12.828 0.809 436 HA LEU 50 HA LEU 50 -0.421 12.028 -1.496 437 1HB LEU 50 2HB LEU 50 -0.975 10.997 1.216 438 2HB LEU 50 1HB LEU 50 -0.463 9.854 -0.007 439 HG LEU 50 HG LEU 50 1.573 10.960 -0.307 440 1HD1 LEU 50 1HD1 LEU 50 0.880 13.279 -0.097 441 2HD1 LEU 50 3HD1 LEU 50 0.667 13.066 1.640 442 3HD1 LEU 50 2HD1 LEU 50 2.274 12.945 0.922 443 1HD2 LEU 50 2HD2 LEU 50 1.401 9.438 1.592 444 2HD2 LEU 50 1HD2 LEU 50 2.613 10.711 1.845 445 3HD2 LEU 50 3HD2 LEU 50 1.045 10.810 2.634 446 MD1 LEU 50 QD1 LEU 50 1.274 13.097 0.822 447 MD2 LEU 50 QD2 LEU 50 1.687 10.320 2.024 448 QB LEU 50 QB LEU 50 -0.719 10.425 0.604 449 QD LEU 50 QQD LEU 50 1.480 11.708 1.423 450 H THR 51 H THR 51 -1.121 10.791 -3.099 451 HA THR 51 HA THR 51 -3.731 9.529 -2.878 452 HB THR 51 HB THR 51 -3.820 9.856 -5.354 453 HG1 THR 51 1HG THR 51 -1.879 10.201 -6.184 454 1HG2 THR 51 3HG2 THR 51 -4.686 11.411 -3.722 455 2HG2 THR 51 2HG2 THR 51 -3.122 12.279 -3.762 456 3HG2 THR 51 1HG2 THR 51 -4.157 12.255 -5.205 457 MG THR 51 QG2 THR 51 -3.988 11.982 -4.230 458 H GLY 52 H GLY 52 -3.849 7.427 -4.253 459 1HA GLY 52 1HA GLY 52 -2.266 5.758 -2.745 460 2HA GLY 52 2HA GLY 52 -1.435 5.950 -4.282 461 QA GLY 52 QA GLY 52 -1.850 5.854 -3.513 462 H ALA 53 H ALA 53 -1.850 3.655 -3.898 463 HA ALA 53 HA ALA 53 -4.381 2.561 -4.187 464 1HB ALA 53 2HB ALA 53 -4.257 3.362 -6.524 465 2HB ALA 53 3HB ALA 53 -4.304 1.598 -6.442 466 3HB ALA 53 1HB ALA 53 -2.780 2.430 -6.753 467 MB ALA 53 QB ALA 53 -3.780 2.463 -6.573 468 H LEU 54 H LEU 54 -4.369 0.268 -4.184 469 HA LEU 54 HA LEU 54 -1.763 -0.910 -3.617 470 1HB LEU 54 2HB LEU 54 -2.830 -0.114 -1.485 471 2HB LEU 54 1HB LEU 54 -4.207 -1.102 -1.853 472 HG LEU 54 HG LEU 54 -1.483 -2.326 -1.342 473 1HD1 LEU 54 3HD1 LEU 54 -3.652 -1.579 0.513 474 2HD1 LEU 54 2HD1 LEU 54 -2.460 -2.815 0.898 475 3HD1 LEU 54 1HD1 LEU 54 -1.957 -1.123 0.616 476 1HD2 LEU 54 2HD2 LEU 54 -4.270 -3.445 -1.154 477 2HD2 LEU 54 1HD2 LEU 54 -3.109 -3.798 -2.433 478 3HD2 LEU 54 3HD2 LEU 54 -2.768 -4.287 -0.773 479 MD1 LEU 54 QD1 LEU 54 -2.689 -1.839 0.676 480 MD2 LEU 54 QD2 LEU 54 -3.382 -3.843 -1.453 481 QB LEU 54 QB LEU 54 -3.518 -0.608 -1.669 482 QD LEU 54 QQD LEU 54 -3.036 -2.841 -0.389 483 H PHE 55 H PHE 55 -1.562 -2.721 -4.641 484 HA PHE 55 HA PHE 55 -3.936 -4.223 -5.452 485 1HB PHE 55 2HB PHE 55 -1.110 -4.231 -6.559 486 2HB PHE 55 1HB PHE 55 -2.378 -5.335 -7.068 487 HD1 PHE 55 1HD PHE 55 -4.311 -4.494 -8.321 488 HD2 PHE 55 2HD PHE 55 -1.028 -1.975 -7.348 489 HE1 PHE 55 1HE PHE 55 -5.054 -2.882 -10.005 490 HE2 PHE 55 2HE PHE 55 -1.767 -0.357 -9.043 491 HZ PHE 55 HZ PHE 55 -3.781 -0.803 -10.369 492 QB PHE 55 QB PHE 55 -1.744 -4.783 -6.813 493 QD PHE 55 QD PHE 55 -2.669 -3.235 -7.834 494 QE PHE 55 QE PHE 55 -3.410 -1.619 -9.524 495 QR PHE 55 QR PHE 55 -3.188 -2.102 -9.017 496 H TYR 56 H TYR 56 -4.111 -6.265 -4.668 497 HA TYR 56 HA TYR 56 -1.884 -7.391 -3.219 498 1HB TYR 56 2HB TYR 56 -3.223 -6.035 -1.601 499 2HB TYR 56 1HB TYR 56 -4.651 -6.958 -1.969 500 HD1 TYR 56 1HD TYR 56 -2.639 -9.601 -1.971 501 HD2 TYR 56 2HD TYR 56 -3.705 -6.510 0.754 502 HE1 TYR 56 1HE TYR 56 -2.099 -11.091 -0.101 503 HE2 TYR 56 2HE TYR 56 -3.174 -8.007 2.646 504 HH TYR 56 HH TYR 56 -3.024 -10.477 3.081 505 QB TYR 56 QB TYR 56 -3.937 -6.497 -1.785 506 QD TYR 56 QD TYR 56 -3.172 -8.056 -0.609 507 QE TYR 56 QE TYR 56 -2.636 -9.549 1.272 508 QR TYR 56 QR TYR 56 -2.904 -8.802 0.332 509 H SER 57 H SER 57 -1.829 -9.390 -4.120 510 HA SER 57 HA SER 57 -4.303 -10.831 -4.595 511 1HB SER 57 2HB SER 57 -3.528 -11.363 -6.928 512 2HB SER 57 1HB SER 57 -4.033 -9.689 -6.684 513 HG SER 57 HG SER 57 -1.335 -10.440 -6.371 514 QB SER 57 QB SER 57 -3.781 -10.526 -6.806 515 H GLN 58 H GLN 58 -4.030 -13.029 -4.454 516 HA GLN 58 HA GLN 58 -3.176 -14.977 -3.941 517 1HB GLN 58 2HB GLN 58 -2.015 -14.692 -6.099 518 2HB GLN 58 1HB GLN 58 -0.663 -13.932 -5.288 519 1HG GLN 58 2HG GLN 58 -0.194 -16.246 -5.893 520 2HG GLN 58 1HG GLN 58 -0.175 -16.006 -4.147 521 1HE2 GLN 58 1HE2 GLN 58 -0.486 -18.166 -3.846 522 2HE2 GLN 58 2HE2 GLN 58 -2.029 -18.920 -4.056 523 QB GLN 58 QB GLN 58 -1.339 -14.312 -5.693 524 QG GLN 58 QG GLN 58 -0.185 -16.126 -5.020 525 QE GLN 58 QE2 GLN 58 -1.257 -18.543 -3.951 526 H GLY 59 H GLY 59 -0.093 -13.347 -3.476 527 1HA GLY 59 1HA GLY 59 0.783 -14.331 -1.163 528 2HA GLY 59 2HA GLY 59 -0.459 -13.204 -0.613 529 QA GLY 59 QA GLY 59 0.162 -13.767 -0.888 530 H VAL 60 H VAL 60 0.091 -11.518 -3.056 531 HA VAL 60 HA VAL 60 2.545 -10.364 -2.040 532 HB VAL 60 HB VAL 60 3.251 -9.680 -4.285 533 1HG1 VAL 60 3HG1 VAL 60 4.141 -11.730 -3.358 534 2HG1 VAL 60 2HG1 VAL 60 2.820 -12.644 -4.089 535 3HG1 VAL 60 1HG1 VAL 60 3.999 -11.828 -5.116 536 1HG2 VAL 60 2HG2 VAL 60 0.939 -11.352 -5.280 537 2HG2 VAL 60 1HG2 VAL 60 1.095 -9.605 -5.428 538 3HG2 VAL 60 3HG2 VAL 60 2.207 -10.664 -6.297 539 MG1 VAL 60 QG1 VAL 60 3.654 -12.067 -4.188 540 MG2 VAL 60 QG2 VAL 60 1.414 -10.540 -5.669 541 QG VAL 60 QQG VAL 60 2.534 -11.304 -4.928 542 H PHE 61 H PHE 61 2.646 -8.372 -1.809 543 HA PHE 61 HA PHE 61 0.300 -6.637 -2.118 544 1HB PHE 61 2HB PHE 61 2.623 -6.925 -0.465 545 2HB PHE 61 1HB PHE 61 2.348 -5.261 -0.963 546 HD1 PHE 61 1HD PHE 61 2.227 -7.201 1.634 547 HD2 PHE 61 2HD PHE 61 -0.509 -4.984 -0.731 548 HE1 PHE 61 1HE PHE 61 0.802 -6.894 3.582 549 HE2 PHE 61 2HE PHE 61 -1.946 -4.697 1.225 550 HZ PHE 61 HZ PHE 61 -1.225 -5.615 3.393 551 QB PHE 61 QB PHE 61 2.485 -6.093 -0.714 552 QD PHE 61 QD PHE 61 0.859 -6.092 0.451 553 QE PHE 61 QE PHE 61 -0.572 -5.796 2.403 554 QR PHE 61 QR PHE 61 -0.130 -5.878 1.820 555 H PHE 62 H PHE 62 0.403 -4.970 -3.622 556 HA PHE 62 HA PHE 62 3.016 -3.867 -4.039 557 1HB PHE 62 2HB PHE 62 2.435 -5.086 -6.162 558 2HB PHE 62 1HB PHE 62 0.988 -4.089 -6.301 559 HD1 PHE 62 1HD PHE 62 4.662 -4.067 -6.420 560 HD2 PHE 62 2HD PHE 62 1.114 -1.810 -7.059 561 HE1 PHE 62 1HE PHE 62 5.977 -2.323 -7.546 562 HE2 PHE 62 2HE PHE 62 2.427 -0.063 -8.189 563 HZ PHE 62 HZ PHE 62 4.858 -0.320 -8.433 564 QB PHE 62 QB PHE 62 1.711 -4.588 -6.231 565 QD PHE 62 QD PHE 62 2.888 -2.938 -6.740 566 QE PHE 62 QE PHE 62 4.202 -1.193 -7.867 567 QR PHE 62 QR PHE 62 3.808 -1.716 -7.529 568 H GLN 63 H GLN 63 2.937 -1.816 -3.321 569 HA GLN 63 HA GLN 63 0.381 -0.381 -3.460 570 1HB GLN 63 2HB GLN 63 0.742 -1.679 -1.245 571 2HB GLN 63 1HB GLN 63 2.008 -0.521 -0.923 572 1HG GLN 63 2HG GLN 63 -0.861 0.249 -1.414 573 2HG GLN 63 1HG GLN 63 -0.224 -0.116 0.176 574 1HE2 GLN 63 1HE2 GLN 63 2.325 1.311 -0.410 575 2HE2 GLN 63 2HE2 GLN 63 1.879 2.988 -0.380 576 QB GLN 63 QB GLN 63 1.375 -1.100 -1.084 577 QG GLN 63 QG GLN 63 -0.543 0.066 -0.619 578 QE GLN 63 QE2 GLN 63 2.102 2.149 -0.395 579 H TRP 64 H TRP 64 0.747 1.759 -3.939 580 HA TRP 64 HA TRP 64 3.309 2.763 -3.189 581 1HB TRP 64 2HB TRP 64 3.914 3.652 -5.295 582 2HB TRP 64 1HB TRP 64 3.467 1.957 -5.577 583 HD1 TRP 64 HD TRP 64 3.356 5.180 -7.023 584 HE1 TRP 64 1HE TRP 64 1.577 5.394 -8.783 585 HE3 TRP 64 3HE TRP 64 0.571 1.100 -5.798 586 HZ2 TRP 64 2HZ TRP 64 -0.768 4.022 -9.590 587 HZ3 TRP 64 3HZ TRP 64 -1.474 0.662 -7.092 588 HH2 TRP 64 HH TRP 64 -2.098 2.074 -8.965 589 QB TRP 64 QB TRP 64 3.691 2.804 -5.436 590 H LEU 65 H LEU 65 3.299 5.222 -3.523 591 HA LEU 65 HA LEU 65 0.644 6.357 -3.488 592 1HB LEU 65 2HB LEU 65 1.058 7.591 -1.414 593 2HB LEU 65 1HB LEU 65 0.948 5.866 -1.160 594 HG LEU 65 HG LEU 65 3.589 7.176 -1.456 595 1HD1 LEU 65 3HD1 LEU 65 1.876 6.985 1.021 596 2HD1 LEU 65 2HD1 LEU 65 3.605 7.378 1.047 597 3HD1 LEU 65 1HD1 LEU 65 2.458 8.450 0.238 598 1HD2 LEU 65 1HD2 LEU 65 3.544 4.736 -1.435 599 2HD2 LEU 65 3HD2 LEU 65 4.328 5.341 0.025 600 3HD2 LEU 65 2HD2 LEU 65 2.664 4.751 0.093 601 MD1 LEU 65 QD1 LEU 65 2.647 7.604 0.769 602 MD2 LEU 65 QD2 LEU 65 3.512 4.943 -0.439 603 QB LEU 65 QB LEU 65 1.003 6.729 -1.287 604 QD LEU 65 QQD LEU 65 3.079 6.273 0.165 605 H GLU 66 H GLU 66 0.540 8.431 -4.025 606 HA GLU 66 HA GLU 66 2.947 9.701 -5.168 607 1HB GLU 66 2HB GLU 66 0.058 10.519 -5.448 608 2HB GLU 66 1HB GLU 66 1.408 10.968 -6.457 609 1HG GLU 66 2HG GLU 66 1.433 8.796 -7.480 610 2HG GLU 66 1HG GLU 66 0.168 8.233 -6.373 611 QB GLU 66 QB GLU 66 0.733 10.744 -5.952 612 QG GLU 66 QG GLU 66 0.801 8.514 -6.926 613 H GLY 67 H GLY 67 3.701 11.351 -3.831 614 1HA GLY 67 1HA GLY 67 2.597 12.155 -1.452 615 2HA GLY 67 2HA GLY 67 1.851 13.162 -2.693 616 QA GLY 67 QA GLY 67 2.224 12.659 -2.073 617 H HIS 68 H HIS 68 3.200 14.750 -1.127 618 HA HIS 68 HA HIS 68 5.616 15.529 -2.450 619 1HB HIS 68 2HB HIS 68 4.347 17.281 -1.324 620 2HB HIS 68 1HB HIS 68 4.363 16.404 0.178 621 HD1 HIS 68 1HD HIS 68 6.236 16.752 1.747 622 HD2 HIS 68 2HD HIS 68 6.597 18.453 -1.907 623 HE1 HIS 68 1HE HIS 68 8.362 17.999 1.960 624 HE2 HIS 68 2HE HIS 68 8.280 19.485 -0.114 625 QB HIS 68 QB HIS 68 4.355 16.842 -0.573 626 HA PRO 69 HA PRO 69 8.567 12.491 -1.237 627 1HB PRO 69 2HB PRO 69 10.490 14.401 -0.260 628 2HB PRO 69 1HB PRO 69 10.515 13.479 -1.759 629 1HG PRO 69 2HG PRO 69 9.575 16.239 -1.282 630 2HG PRO 69 1HG PRO 69 10.118 15.480 -2.790 631 1HD PRO 69 2HD PRO 69 7.561 16.096 -2.377 632 2HD PRO 69 1HD PRO 69 8.004 14.610 -3.242 633 QB PRO 69 QB PRO 69 10.503 13.940 -1.010 634 QG PRO 69 QG PRO 69 9.846 15.859 -2.036 635 QD PRO 69 QD PRO 69 7.782 15.353 -2.809 636 H ALA 70 H ALA 70 8.605 15.041 1.263 637 HA ALA 70 HA ALA 70 9.413 13.106 3.172 638 1HB ALA 70 1HB ALA 70 10.086 15.391 3.455 639 2HB ALA 70 2HB ALA 70 9.127 14.797 4.842 640 3HB ALA 70 3HB ALA 70 8.377 15.849 3.606 641 MB ALA 70 QB ALA 70 9.197 15.346 3.968 642 H ALA 71 H ALA 71 6.342 14.110 2.203 643 HA ALA 71 HA ALA 71 5.003 13.148 4.499 644 1HB ALA 71 1HB ALA 71 4.230 13.289 1.661 645 2HB ALA 71 3HB ALA 71 3.076 12.991 2.961 646 3HB ALA 71 2HB ALA 71 3.924 14.562 2.876 647 MB ALA 71 QB ALA 71 3.743 13.614 2.500 648 H VAL 72 H VAL 72 5.886 11.938 1.392 649 HA VAL 72 HA VAL 72 4.848 9.311 1.452 650 HB VAL 72 HB VAL 72 7.478 9.817 0.142 651 1HG1 VAL 72 3HG1 VAL 72 6.336 7.737 -0.152 652 2HG1 VAL 72 2HG1 VAL 72 4.942 8.662 -0.762 653 3HG1 VAL 72 1HG1 VAL 72 6.472 8.657 -1.684 654 1HG2 VAL 72 3HG2 VAL 72 4.953 11.140 -0.778 655 2HG2 VAL 72 2HG2 VAL 72 6.485 11.883 -0.256 656 3HG2 VAL 72 1HG2 VAL 72 6.429 10.946 -1.750 657 MG1 VAL 72 QG1 VAL 72 5.917 8.352 -0.866 658 MG2 VAL 72 QG2 VAL 72 5.955 11.323 -0.928 659 QG VAL 72 QQG VAL 72 5.936 9.838 -0.897 660 H ALA 73 H ALA 73 7.917 10.702 2.430 661 HA ALA 73 HA ALA 73 9.062 8.238 3.212 662 1HB ALA 73 3HB ALA 73 9.842 10.988 3.984 663 2HB ALA 73 2HB ALA 73 10.730 9.420 4.184 664 3HB ALA 73 1HB ALA 73 10.406 10.061 2.553 665 MB ALA 73 QB ALA 73 10.326 10.156 3.574 666 H GLU 74 H GLU 74 7.385 10.764 4.976 667 HA GLU 74 HA GLU 74 7.784 9.701 7.571 668 1HB GLU 74 2HB GLU 74 6.912 11.977 7.224 669 2HB GLU 74 1HB GLU 74 5.496 11.338 6.418 670 1HG GLU 74 2HG GLU 74 5.834 10.329 9.135 671 2HG GLU 74 1HG GLU 74 5.654 12.083 9.049 672 QB GLU 74 QB GLU 74 6.204 11.657 6.821 673 QG GLU 74 QG GLU 74 5.744 11.206 9.092 674 H VAL 75 H VAL 75 5.395 9.185 5.110 675 HA VAL 75 HA VAL 75 4.000 7.133 6.337 676 HB VAL 75 HB VAL 75 4.489 7.861 3.436 677 1HG1 VAL 75 2HG1 VAL 75 4.143 5.445 3.561 678 2HG1 VAL 75 1HG1 VAL 75 2.633 5.718 4.446 679 3HG1 VAL 75 3HG1 VAL 75 2.804 6.296 2.781 680 1HG2 VAL 75 3HG2 VAL 75 3.108 9.355 4.741 681 2HG2 VAL 75 2HG2 VAL 75 2.146 8.513 3.529 682 3HG2 VAL 75 1HG2 VAL 75 2.073 8.012 5.219 683 MG1 VAL 75 QG1 VAL 75 3.193 5.820 3.596 684 MG2 VAL 75 QG2 VAL 75 2.443 8.626 4.497 685 QG VAL 75 QQG VAL 75 2.818 7.223 4.046 686 H MET 76 H MET 76 6.817 6.843 3.950 687 HA MET 76 HA MET 76 7.249 4.200 4.085 688 1HB MET 76 2HB MET 76 9.246 6.384 4.159 689 2HB MET 76 1HB MET 76 9.672 4.774 3.718 690 1HG MET 76 2HG MET 76 7.655 6.348 2.211 691 2HG MET 76 1HG MET 76 9.366 6.463 1.814 692 1HE MET 76 1HE MET 76 6.196 4.426 1.958 693 2HE MET 76 3HE MET 76 6.523 2.965 1.005 694 3HE MET 76 2HE MET 76 7.222 3.111 2.620 695 QB MET 76 QB MET 76 9.459 5.579 3.939 696 QG MET 76 QG MET 76 8.510 6.406 2.013 697 ME MET 76 QE MET 76 6.647 3.500 1.861 698 H SER 77 H SER 77 8.661 6.578 6.350 699 HA SER 77 HA SER 77 10.105 4.700 7.857 700 1HB SER 77 2HB SER 77 10.395 7.185 7.959 701 2HB SER 77 1HB SER 77 8.899 7.265 8.899 702 HG SER 77 HG SER 77 9.964 6.712 10.580 703 QB SER 77 QB SER 77 9.647 7.225 8.429 704 H HIS 78 H HIS 78 6.771 5.768 8.322 705 HA HIS 78 HA HIS 78 6.316 4.207 10.645 706 1HB HIS 78 2HB HIS 78 4.443 5.171 8.479 707 2HB HIS 78 1HB HIS 78 3.867 4.098 9.739 708 HD1 HIS 78 1HD HIS 78 4.933 7.660 9.129 709 HD2 HIS 78 2HD HIS 78 3.488 5.299 12.245 710 HE1 HIS 78 1HE HIS 78 4.271 9.251 10.927 711 HE2 HIS 78 2HE HIS 78 3.480 7.811 12.840 712 QB HIS 78 QB HIS 78 4.155 4.635 9.109 713 H ILE 79 H ILE 79 5.697 3.467 7.258 714 HA ILE 79 HA ILE 79 4.684 0.875 7.858 715 HB ILE 79 HB ILE 79 5.558 1.626 5.089 716 1HG1 ILE 79 2HG1 ILE 79 3.022 2.546 6.460 717 2HG1 ILE 79 1HG1 ILE 79 4.365 3.560 5.930 718 1HG2 ILE 79 3HG2 ILE 79 4.538 -0.610 5.800 719 2HG2 ILE 79 2HG2 ILE 79 3.080 0.299 6.195 720 3HG2 ILE 79 1HG2 ILE 79 3.629 0.237 4.529 721 1HD1 ILE 79 1HD1 ILE 79 2.648 1.894 4.120 722 2HD1 ILE 79 3HD1 ILE 79 2.493 3.630 4.366 723 3HD1 ILE 79 2HD1 ILE 79 3.955 2.976 3.623 724 MG ILE 79 QG2 ILE 79 3.749 -0.025 5.508 725 MD ILE 79 QD1 ILE 79 3.032 2.833 4.036 726 QG ILE 79 QG1 ILE 79 3.693 3.053 6.195 727 H GLN 80 H GLN 80 7.898 2.042 6.990 728 HA GLN 80 HA GLN 80 8.864 -0.437 5.999 729 1HB GLN 80 2HB GLN 80 10.471 1.910 6.987 730 2HB GLN 80 1HB GLN 80 11.148 0.488 6.216 731 1HG GLN 80 2HG GLN 80 9.390 2.602 4.995 732 2HG GLN 80 1HG GLN 80 11.028 2.148 4.506 733 1HE2 GLN 80 1HE2 GLN 80 7.762 1.682 4.363 734 2HE2 GLN 80 2HE2 GLN 80 7.771 0.540 3.065 735 QB GLN 80 QB GLN 80 10.810 1.199 6.602 736 QG GLN 80 QG GLN 80 10.209 2.375 4.751 737 QE GLN 80 QE2 GLN 80 7.766 1.111 3.714 738 H ARG 81 H ARG 81 8.377 0.653 9.167 739 HA ARG 81 HA ARG 81 10.259 -0.876 10.551 740 1HB ARG 81 2HB ARG 81 7.352 -0.531 11.381 741 2HB ARG 81 1HB ARG 81 8.727 -0.923 12.416 742 1HG ARG 81 2HG ARG 81 9.729 1.172 11.955 743 2HG ARG 81 1HG ARG 81 8.359 1.648 10.942 744 1HD ARG 81 2HD ARG 81 6.902 1.309 12.956 745 2HD ARG 81 1HD ARG 81 8.371 1.063 13.902 746 HE ARG 81 HE ARG 81 7.368 3.516 12.770 747 1HH1 ARG 81 1HH1 ARG 81 10.028 1.934 14.486 748 2HH1 ARG 81 2HH1 ARG 81 10.792 3.368 14.971 749 1HH2 ARG 81 1HH2 ARG 81 8.418 5.527 13.453 750 2HH2 ARG 81 2HH2 ARG 81 9.864 5.476 14.346 751 QB ARG 81 QB ARG 81 8.040 -0.727 11.899 752 QG ARG 81 QG ARG 81 9.044 1.410 11.449 753 QD ARG 81 QD ARG 81 7.636 1.186 13.429 754 QH1 ARG 81 QH1 ARG 81 10.410 2.651 14.729 755 QH2 ARG 81 QH2 ARG 81 9.141 5.501 13.899 756 H ASP 82 H ASP 82 7.397 -1.799 8.912 757 HA ASP 82 HA ASP 82 6.343 -3.616 8.489 758 1HB ASP 82 2HB ASP 82 7.275 -3.924 6.808 759 2HB ASP 82 1HB ASP 82 8.953 -4.025 7.260 760 QB ASP 82 QB ASP 82 8.114 -3.975 7.034 761 H ARG 83 H ARG 83 5.238 -4.961 8.934 762 HA ARG 83 HA ARG 83 5.711 -6.994 10.817 763 1HB ARG 83 2HB ARG 83 4.268 -5.853 12.594 764 2HB ARG 83 1HB ARG 83 5.928 -5.289 12.433 765 1HG ARG 83 2HG ARG 83 5.047 -3.508 10.925 766 2HG ARG 83 1HG ARG 83 3.425 -3.943 11.445 767 1HD ARG 83 2HD ARG 83 5.681 -2.915 13.189 768 2HD ARG 83 1HD ARG 83 4.156 -2.112 12.854 769 HE ARG 83 HE ARG 83 4.067 -4.686 14.247 770 1HH1 ARG 83 1HH1 ARG 83 3.686 -1.176 14.426 771 2HH1 ARG 83 2HH1 ARG 83 2.997 -1.171 15.969 772 1HH2 ARG 83 1HH2 ARG 83 3.179 -4.700 16.414 773 2HH2 ARG 83 2HH2 ARG 83 2.731 -3.230 17.149 774 QB ARG 83 QB ARG 83 5.098 -5.571 12.514 775 QG ARG 83 QG ARG 83 4.236 -3.726 11.185 776 QD ARG 83 QD ARG 83 4.919 -2.513 13.022 777 QH1 ARG 83 QH1 ARG 83 3.342 -1.173 15.198 778 QH2 ARG 83 QH2 ARG 83 2.955 -3.965 16.782 779 H ARG 84 H ARG 84 3.374 -4.683 9.381 780 HA ARG 84 HA ARG 84 1.438 -6.846 9.251 781 1HB ARG 84 2HB ARG 84 1.203 -4.040 9.644 782 2HB ARG 84 1HB ARG 84 0.461 -4.472 8.092 783 1HG ARG 84 2HG ARG 84 -1.213 -4.526 9.833 784 2HG ARG 84 1HG ARG 84 -0.920 -6.147 9.199 785 1HD ARG 84 2HD ARG 84 -1.096 -6.357 11.539 786 2HD ARG 84 1HD ARG 84 0.626 -6.482 11.178 787 HE ARG 84 HE ARG 84 0.528 -3.919 11.800 788 1HH1 ARG 84 1HH1 ARG 84 -1.148 -6.618 13.423 789 2HH1 ARG 84 2HH1 ARG 84 -1.347 -5.758 14.878 790 1HH2 ARG 84 1HH2 ARG 84 0.353 -2.869 13.810 791 2HH2 ARG 84 2HH2 ARG 84 -0.427 -3.590 15.127 792 QB ARG 84 QB ARG 84 0.832 -4.256 8.868 793 QG ARG 84 QG ARG 84 -1.067 -5.337 9.516 794 QD ARG 84 QD ARG 84 -0.235 -6.419 11.358 795 QH1 ARG 84 QH1 ARG 84 -1.247 -6.188 14.150 796 QH2 ARG 84 QH2 ARG 84 -0.037 -3.229 14.469 797 H HIS 85 H HIS 85 3.762 -6.932 7.580 798 HA HIS 85 HA HIS 85 2.607 -7.896 5.366 799 1HB HIS 85 2HB HIS 85 4.074 -6.499 3.683 800 2HB HIS 85 1HB HIS 85 2.497 -5.904 4.123 801 HD1 HIS 85 1HD HIS 85 3.250 -3.536 3.343 802 HD2 HIS 85 2HD HIS 85 5.572 -4.961 6.508 803 HE1 HIS 85 1HE HIS 85 4.627 -1.678 4.196 804 HE2 HIS 85 2HE HIS 85 5.565 -2.520 6.339 805 QB HIS 85 QB HIS 85 3.286 -6.201 3.903 806 H SER 86 H SER 86 4.880 -8.214 3.756 807 HA SER 86 HA SER 86 6.370 -9.729 5.737 808 1HB SER 86 2HB SER 86 4.919 -10.221 3.588 809 2HB SER 86 1HB SER 86 6.598 -10.731 3.227 810 HG SER 86 HG SER 86 6.467 -11.888 5.303 811 QB SER 86 QB SER 86 5.759 -10.476 3.408 812 H ASN 87 H ASN 87 7.040 -7.099 4.222 813 HA ASN 87 HA ASN 87 9.740 -7.627 3.565 814 1HB ASN 87 2HB ASN 87 8.671 -8.861 1.681 815 2HB ASN 87 1HB ASN 87 8.003 -7.343 1.153 816 1HD2 ASN 87 1HD2 ASN 87 11.294 -7.902 2.361 817 2HD2 ASN 87 2HD2 ASN 87 12.022 -7.528 0.858 818 QB ASN 87 QB ASN 87 8.337 -8.102 1.417 819 QD ASN 87 QD2 ASN 87 11.658 -7.715 1.610 820 H VAL 88 H VAL 88 7.334 -5.781 2.436 821 HA VAL 88 HA VAL 88 7.414 -3.953 1.215 822 HB VAL 88 HB VAL 88 6.481 -3.466 3.227 823 1HG1 VAL 88 2HG1 VAL 88 8.133 -3.794 4.695 824 2HG1 VAL 88 1HG1 VAL 88 9.045 -2.313 4.158 825 3HG1 VAL 88 3HG1 VAL 88 7.411 -2.148 4.888 826 1HG2 VAL 88 1HG2 VAL 88 6.402 -1.777 1.590 827 2HG2 VAL 88 3HG2 VAL 88 6.563 -1.026 3.180 828 3HG2 VAL 88 2HG2 VAL 88 7.976 -1.167 2.101 829 MG1 VAL 88 QG1 VAL 88 8.196 -2.752 4.580 830 MG2 VAL 88 QG2 VAL 88 6.980 -1.323 2.290 831 QG VAL 88 QQG VAL 88 7.588 -2.037 3.435 832 H GLU 89 H GLU 89 8.886 -4.399 -0.188 833 HA GLU 89 HA GLU 89 11.070 -2.599 0.150 834 1HB GLU 89 2HB GLU 89 11.008 -5.154 -1.290 835 2HB GLU 89 1HB GLU 89 12.068 -3.876 -1.875 836 1HG GLU 89 2HG GLU 89 12.071 -4.973 0.932 837 2HG GLU 89 1HG GLU 89 13.155 -5.312 -0.430 838 QB GLU 89 QB GLU 89 11.538 -4.515 -1.582 839 QG GLU 89 QG GLU 89 12.613 -5.142 0.251 840 H ILE 90 H ILE 90 10.559 -1.072 -0.353 841 HA ILE 90 HA ILE 90 8.946 0.132 -2.373 842 HB ILE 90 HB ILE 90 11.544 1.432 -1.597 843 1HG1 ILE 90 2HG1 ILE 90 10.864 0.446 0.496 844 2HG1 ILE 90 1HG1 ILE 90 10.636 2.185 0.545 845 1HG2 ILE 90 1HG2 ILE 90 9.911 2.770 -2.963 846 2HG2 ILE 90 3HG2 ILE 90 8.713 2.509 -1.678 847 3HG2 ILE 90 2HG2 ILE 90 10.116 3.448 -1.334 848 1HD1 ILE 90 3HD1 ILE 90 8.282 1.880 0.101 849 2HD1 ILE 90 2HD1 ILE 90 8.530 0.129 0.100 850 3HD1 ILE 90 1HD1 ILE 90 8.799 1.059 1.582 851 MG ILE 90 QG2 ILE 90 9.580 2.909 -1.992 852 MD ILE 90 QD1 ILE 90 8.537 1.023 0.594 853 QG ILE 90 QG1 ILE 90 10.750 1.316 0.520 854 H LEU 91 H LEU 91 12.294 0.262 -2.563 855 HA LEU 91 HA LEU 91 13.826 -0.003 -4.223 856 1HB LEU 91 2HB LEU 91 11.768 -1.765 -5.545 857 2HB LEU 91 1HB LEU 91 13.452 -1.656 -6.014 858 HG LEU 91 HG LEU 91 12.426 -2.666 -3.383 859 1HD1 LEU 91 3HD1 LEU 91 11.925 -4.203 -5.220 860 2HD1 LEU 91 2HD1 LEU 91 13.612 -4.153 -5.727 861 3HD1 LEU 91 1HD1 LEU 91 13.180 -4.868 -4.175 862 1HD2 LEU 91 2HD2 LEU 91 15.229 -2.588 -4.492 863 2HD2 LEU 91 1HD2 LEU 91 14.607 -1.647 -3.136 864 3HD2 LEU 91 3HD2 LEU 91 14.741 -3.398 -3.000 865 MD1 LEU 91 QD1 LEU 91 12.906 -4.408 -5.041 866 MD2 LEU 91 QD2 LEU 91 14.859 -2.545 -3.543 867 QB LEU 91 QB LEU 91 12.610 -1.711 -5.780 868 QD LEU 91 QQD LEU 91 13.882 -3.476 -4.292 869 H ALA 92 H ALA 92 10.756 1.338 -4.954 870 HA ALA 92 HA ALA 92 12.143 2.805 -7.095 871 1HB ALA 92 3HB ALA 92 10.573 1.276 -8.158 872 2HB ALA 92 1HB ALA 92 10.065 2.959 -8.345 873 3HB ALA 92 2HB ALA 92 9.272 1.923 -7.153 874 MB ALA 92 QB ALA 92 9.970 2.053 -7.885 875 H GLU 93 H GLU 93 12.424 4.773 -6.369 876 HA GLU 93 HA GLU 93 10.112 6.163 -5.259 877 1HB GLU 93 2HB GLU 93 12.952 6.557 -4.229 878 2HB GLU 93 1HB GLU 93 11.454 7.291 -3.661 879 1HG GLU 93 2HG GLU 93 10.645 5.334 -2.837 880 2HG GLU 93 1HG GLU 93 12.033 4.403 -3.441 881 QB GLU 93 QB GLU 93 12.203 6.924 -3.945 882 QG GLU 93 QG GLU 93 11.339 4.868 -3.139 883 H GLU 94 H GLU 94 9.697 7.590 -6.752 884 HA GLU 94 HA GLU 94 11.915 9.086 -7.909 885 1HB GLU 94 2HB GLU 94 10.763 8.918 -10.143 886 2HB GLU 94 1HB GLU 94 11.579 7.461 -9.574 887 1HG GLU 94 2HG GLU 94 9.310 6.688 -8.778 888 2HG GLU 94 1HG GLU 94 8.631 8.054 -9.663 889 QB GLU 94 QB GLU 94 11.171 8.189 -9.859 890 QG GLU 94 QG GLU 94 8.970 7.371 -9.220 891 H SER 95 H SER 95 11.455 11.130 -8.652 892 HA SER 95 HA SER 95 9.393 12.522 -7.291 893 1HB SER 95 2HB SER 95 11.240 13.495 -9.478 894 2HB SER 95 1HB SER 95 10.410 14.464 -8.258 895 HG SER 95 HG SER 95 11.776 13.797 -6.733 896 QB SER 95 QB SER 95 10.825 13.980 -8.868 897 H ILE 96 H ILE 96 7.444 12.775 -7.984 898 HA ILE 96 HA ILE 96 6.910 12.478 -10.863 899 HB ILE 96 HB ILE 96 4.769 11.659 -10.407 900 1HG1 ILE 96 2HG1 ILE 96 5.579 11.070 -7.589 901 2HG1 ILE 96 1HG1 ILE 96 4.816 12.606 -7.946 902 1HG2 ILE 96 1HG2 ILE 96 6.591 10.169 -10.934 903 2HG2 ILE 96 3HG2 ILE 96 7.063 10.085 -9.243 904 3HG2 ILE 96 2HG2 ILE 96 5.537 9.368 -9.769 905 1HD1 ILE 96 3HD1 ILE 96 3.636 9.906 -8.501 906 2HD1 ILE 96 2HD1 ILE 96 3.241 11.030 -7.165 907 3HD1 ILE 96 1HD1 ILE 96 2.967 11.503 -8.839 908 MG ILE 96 QG2 ILE 96 6.397 9.874 -9.982 909 MD ILE 96 QD1 ILE 96 3.281 10.813 -8.168 910 QG ILE 96 QG1 ILE 96 5.198 11.838 -7.767 911 H ALA 97 H ALA 97 4.570 13.152 -11.385 912 HA ALA 97 HA ALA 97 4.303 15.918 -10.524 913 1HB ALA 97 3HB ALA 97 4.553 15.423 -12.945 914 2HB ALA 97 1HB ALA 97 3.039 16.278 -12.521 915 3HB ALA 97 2HB ALA 97 3.011 14.540 -12.786 916 MB ALA 97 QB ALA 97 3.534 15.414 -12.751 917 H LYS 98 H LYS 98 3.207 13.225 -9.791 918 HA LYS 98 HA LYS 98 1.329 12.178 -8.967 919 1HB LYS 98 2HB LYS 98 2.104 13.990 -7.527 920 2HB LYS 98 1HB LYS 98 0.762 14.928 -8.141 921 1HG LYS 98 2HG LYS 98 -0.142 12.392 -7.273 922 2HG LYS 98 1HG LYS 98 1.028 13.051 -6.216 923 1HD LYS 98 2HD LYS 98 -0.865 15.068 -6.864 924 2HD LYS 98 1HD LYS 98 -1.556 13.718 -5.908 925 1HE LYS 98 2HE LYS 98 0.313 13.822 -4.551 926 2HE LYS 98 1HE LYS 98 0.924 15.235 -5.420 927 1HZ LYS 98 3HZ LYS 98 -1.138 16.463 -4.734 928 2HZ LYS 98 2HZ LYS 98 -1.602 15.138 -3.777 929 3HZ LYS 98 1HZ LYS 98 -0.228 16.003 -3.404 930 QB LYS 98 QB LYS 98 1.433 14.459 -7.834 931 QD LYS 98 QD LYS 98 -1.211 14.393 -6.386 932 QG LYS 98 QG LYS 98 0.443 12.722 -6.744 933 QE LYS 98 QE LYS 98 0.618 14.529 -4.986 934 QZ LYS 98 QZ LYS 98 -0.989 15.868 -3.972 935 H ARG 99 H ARG 99 -1.090 12.689 -8.645 936 HA ARG 99 HA ARG 99 -3.148 13.230 -9.369 937 1HB ARG 99 2HB ARG 99 -2.154 15.325 -10.399 938 2HB ARG 99 1HB ARG 99 -1.901 14.432 -11.873 939 1HG ARG 99 2HG ARG 99 -3.896 15.813 -12.059 940 2HG ARG 99 1HG ARG 99 -4.347 14.103 -12.060 941 1HD ARG 99 2HD ARG 99 -4.914 14.237 -9.699 942 2HD ARG 99 1HD ARG 99 -4.422 15.931 -9.668 943 HE ARG 99 HE ARG 99 -6.437 15.443 -11.606 944 1HH1 ARG 99 1HH1 ARG 99 -5.926 15.851 -8.137 945 2HH1 ARG 99 2HH1 ARG 99 -7.491 16.447 -7.820 946 1HH2 ARG 99 1HH2 ARG 99 -8.569 16.252 -11.209 947 2HH2 ARG 99 2HH2 ARG 99 -9.047 16.682 -9.625 948 QB ARG 99 QB ARG 99 -2.027 14.878 -11.136 949 QG ARG 99 QG ARG 99 -4.122 14.958 -12.060 950 QD ARG 99 QD ARG 99 -4.668 15.084 -9.683 951 QH1 ARG 99 QH1 ARG 99 -6.708 16.149 -7.978 952 QH2 ARG 99 QH2 ARG 99 -8.808 16.467 -10.417 953 H ARG 100 H ARG 100 -1.550 10.857 -9.871 954 HA ARG 100 HA ARG 100 -2.588 9.843 -12.347 955 1HB ARG 100 2HB ARG 100 -1.000 8.512 -10.172 956 2HB ARG 100 1HB ARG 100 -1.364 7.815 -11.753 957 1HG ARG 100 2HG ARG 100 -0.158 9.563 -12.853 958 2HG ARG 100 1HG ARG 100 0.071 10.381 -11.300 959 1HD ARG 100 2HD ARG 100 1.481 8.577 -10.522 960 2HD ARG 100 1HD ARG 100 1.153 7.636 -11.983 961 HE ARG 100 HE ARG 100 2.132 10.071 -12.780 962 1HH1 ARG 100 1HH1 ARG 100 3.392 7.211 -11.090 963 2HH1 ARG 100 2HH1 ARG 100 5.008 7.552 -11.518 964 1HH2 ARG 100 1HH2 ARG 100 4.287 10.456 -13.391 965 2HH2 ARG 100 2HH2 ARG 100 5.532 9.424 -12.876 966 QB ARG 100 QB ARG 100 -1.182 8.164 -10.962 967 QG ARG 100 QG ARG 100 -0.044 9.972 -12.076 968 QD ARG 100 QD ARG 100 1.317 8.106 -11.252 969 QH1 ARG 100 QH1 ARG 100 4.200 7.382 -11.304 970 QH2 ARG 100 QH2 ARG 100 4.909 9.940 -13.133 971 H PHE 101 H PHE 101 -2.967 8.960 -8.862 972 HA PHE 101 HA PHE 101 -5.416 7.765 -9.824 973 1HB PHE 101 2HB PHE 101 -3.688 6.974 -7.540 974 2HB PHE 101 1HB PHE 101 -5.411 6.603 -7.480 975 HD1 PHE 101 1HD PHE 101 -6.185 4.663 -8.449 976 HD2 PHE 101 2HD PHE 101 -2.478 6.278 -9.761 977 HE1 PHE 101 1HE PHE 101 -5.855 2.717 -9.905 978 HE2 PHE 101 2HE PHE 101 -2.146 4.323 -11.218 979 HZ PHE 101 HZ PHE 101 -3.836 2.546 -11.284 980 QB PHE 101 QB PHE 101 -4.549 6.789 -7.510 981 QD PHE 101 QD PHE 101 -4.331 5.470 -9.105 982 QE PHE 101 QE PHE 101 -4.000 3.520 -10.561 983 QR PHE 101 QR PHE 101 -4.100 4.105 -10.123 984 H ALA 102 H ALA 102 -4.358 10.245 -8.221 985 HA ALA 102 HA ALA 102 -5.300 12.108 -7.264 986 1HB ALA 102 2HB ALA 102 -6.731 12.040 -9.284 987 2HB ALA 102 3HB ALA 102 -7.535 12.781 -7.902 988 3HB ALA 102 1HB ALA 102 -7.935 11.129 -8.370 989 MB ALA 102 QB ALA 102 -7.400 11.984 -8.518 990 H GLY 103 H GLY 103 -6.367 9.150 -6.228 991 1HA GLY 103 1HA GLY 103 -8.001 9.234 -4.190 992 2HA GLY 103 2HA GLY 103 -6.627 10.156 -3.541 993 QA GLY 103 QA GLY 103 -7.314 9.695 -3.866 994 H TRP 104 H TRP 104 -6.671 8.109 -2.086 995 HA TRP 104 HA TRP 104 -4.884 6.174 -3.309 996 1HB TRP 104 2HB TRP 104 -4.074 6.977 -1.198 997 2HB TRP 104 1HB TRP 104 -5.638 6.771 -0.454 998 HD1 TRP 104 HD TRP 104 -2.397 4.868 -1.138 999 HE1 TRP 104 1HE TRP 104 -2.494 2.667 0.086 1000 HE3 TRP 104 3HE TRP 104 -7.310 4.982 0.315 1001 HZ2 TRP 104 2HZ TRP 104 -4.489 1.151 1.550 1002 HZ3 TRP 104 3HZ TRP 104 -8.183 3.319 1.522 1003 HH2 TRP 104 HH TRP 104 -6.939 1.413 2.174 1004 QB TRP 104 QB TRP 104 -4.856 6.874 -0.826 1005 H HIS 105 H HIS 105 -5.325 4.019 -3.629 1006 HA HIS 105 HA HIS 105 -8.154 3.267 -3.294 1007 1HB HIS 105 2HB HIS 105 -6.192 2.813 -5.504 1008 2HB HIS 105 1HB HIS 105 -7.716 1.900 -5.435 1009 HD1 HIS 105 1HD HIS 105 -9.749 3.129 -6.449 1010 HD2 HIS 105 2HD HIS 105 -6.434 5.589 -5.998 1011 HE1 HIS 105 1HE HIS 105 -10.314 5.238 -7.657 1012 HE2 HIS 105 2HE HIS 105 -8.429 6.797 -7.103 1013 QB HIS 105 QB HIS 105 -6.954 2.356 -5.469 1014 H MET 106 H MET 106 -8.369 0.790 -3.256 1015 HA MET 106 HA MET 106 -5.976 -0.587 -2.346 1016 1HB MET 106 2HB MET 106 -7.370 0.711 -0.466 1017 2HB MET 106 1HB MET 106 -8.385 -0.705 -0.592 1018 1HG MET 106 2HG MET 106 -5.493 -0.593 0.244 1019 2HG MET 106 1HG MET 106 -6.882 -0.939 1.257 1020 1HE MET 106 1HE MET 106 -4.502 -2.860 1.610 1021 2HE MET 106 3HE MET 106 -6.087 -3.198 2.321 1022 3HE MET 106 2HE MET 106 -5.237 -4.432 1.383 1023 QB MET 106 QB MET 106 -7.878 0.003 -0.529 1024 QG MET 106 QG MET 106 -6.187 -0.766 0.751 1025 ME MET 106 QE MET 106 -5.275 -3.497 1.771 1026 H GLN 107 H GLN 107 -6.147 -2.716 -2.966 1027 HA GLN 107 HA GLN 107 -8.408 -3.594 -4.385 1028 1HB GLN 107 2HB GLN 107 -6.350 -4.541 -5.072 1029 2HB GLN 107 1HB GLN 107 -5.930 -5.018 -3.442 1030 1HG GLN 107 2HG GLN 107 -6.424 -6.989 -4.716 1031 2HG GLN 107 1HG GLN 107 -7.688 -6.764 -3.527 1032 1HE2 GLN 107 1HE2 GLN 107 -9.169 -4.755 -5.206 1033 2HE2 GLN 107 2HE2 GLN 107 -9.836 -5.679 -6.487 1034 QB GLN 107 QB GLN 107 -6.140 -4.780 -4.257 1035 QG GLN 107 QG GLN 107 -7.056 -6.877 -4.121 1036 QE GLN 107 QE2 GLN 107 -9.503 -5.217 -5.846 1037 H LEU 108 H LEU 108 -7.301 -4.078 -1.111 1038 HA LEU 108 HA LEU 108 -9.594 -5.815 -0.558 1039 1HB LEU 108 2HB LEU 108 -7.013 -6.145 0.140 1040 2HB LEU 108 1HB LEU 108 -7.517 -5.137 1.474 1041 HG LEU 108 HG LEU 108 -8.547 -7.870 0.769 1042 1HD1 LEU 108 2HD1 LEU 108 -6.374 -7.878 1.800 1043 2HD1 LEU 108 1HD1 LEU 108 -6.967 -6.868 3.116 1044 3HD1 LEU 108 3HD1 LEU 108 -7.584 -8.508 2.918 1045 1HD2 LEU 108 3HD2 LEU 108 -10.391 -6.521 1.624 1046 2HD2 LEU 108 2HD2 LEU 108 -9.909 -7.740 2.805 1047 3HD2 LEU 108 1HD2 LEU 108 -9.420 -6.059 3.017 1048 MD1 LEU 108 QD1 LEU 108 -6.975 -7.751 2.611 1049 MD2 LEU 108 QD2 LEU 108 -9.906 -6.773 2.482 1050 QB LEU 108 QB LEU 108 -7.265 -5.641 0.807 1051 QD LEU 108 QQD LEU 108 -8.441 -7.262 2.547 1052 H SER 109 H SER 109 -11.097 -4.157 -0.661 1053 HA SER 109 HA SER 109 -11.626 -2.604 1.645 1054 1HB SER 109 2HB SER 109 -9.966 -1.087 0.658 1055 2HB SER 109 1HB SER 109 -10.783 -1.157 -0.903 1056 HG SER 109 HG SER 109 -12.316 0.113 -0.177 1057 QB SER 109 QB SER 109 -10.374 -1.122 -0.122 1058 H CYS 110 H CYS 110 -13.627 -3.459 1.681 1059 HA CYS 110 HA CYS 110 -15.709 -4.054 1.173 1060 1HB CYS 110 2HB CYS 110 -16.041 -1.755 0.280 1061 2HB CYS 110 1HB CYS 110 -15.415 -2.265 -1.278 1062 HG CYS 110 HG CYS 110 -17.541 -3.385 -2.194 1063 QB CYS 110 QB CYS 110 -15.728 -2.010 -0.499 1064 H SER 111 H SER 111 -13.977 -3.892 -1.884 1065 HA SER 111 HA SER 111 -13.230 -5.398 -3.335 1066 1HB SER 111 2HB SER 111 -13.251 -7.163 -0.906 1067 2HB SER 111 1HB SER 111 -12.345 -7.465 -2.389 1068 HG SER 111 HG SER 111 -11.054 -5.778 -1.984 1069 QB SER 111 QB SER 111 -12.798 -7.314 -1.647 1070 H GLU 112 H GLU 112 -13.473 -8.063 -3.702 1071 HA GLU 112 HA GLU 112 -16.070 -8.131 -4.932 1072 1HB GLU 112 2HB GLU 112 -13.876 -10.152 -5.095 1073 2HB GLU 112 1HB GLU 112 -15.246 -9.957 -6.159 1074 1HG GLU 112 2HG GLU 112 -14.300 -7.859 -6.984 1075 2HG GLU 112 1HG GLU 112 -12.925 -8.070 -5.895 1076 QB GLU 112 QB GLU 112 -14.561 -10.055 -5.627 1077 QG GLU 112 QG GLU 112 -13.613 -7.965 -6.439 1078 H ALA 113 H ALA 113 -17.229 -10.042 -4.893 1079 HA ALA 113 HA ALA 113 -16.674 -12.182 -3.018 1080 1HB ALA 113 3HB ALA 113 -19.320 -10.715 -3.380 1081 2HB ALA 113 2HB ALA 113 -19.166 -12.258 -2.534 1082 3HB ALA 113 1HB ALA 113 -18.393 -10.806 -1.887 1083 MB ALA 113 QB ALA 113 -18.960 -11.260 -2.600 1084 H ASP 114 H ASP 114 -16.093 -11.563 -5.567 1085 HA ASP 114 HA ASP 114 -17.901 -13.003 -7.350 1086 1HB ASP 114 2HB ASP 114 -17.322 -10.736 -7.986 1087 2HB ASP 114 1HB ASP 114 -15.613 -11.098 -7.828 1088 QB ASP 114 QB ASP 114 -16.467 -10.917 -7.907 1089 H MET 115 H MET 115 -14.354 -12.582 -6.998 1090 HA MET 115 HA MET 115 -14.015 -15.337 -7.846 1091 1HB MET 115 2HB MET 115 -12.063 -13.103 -7.381 1092 2HB MET 115 1HB MET 115 -11.547 -14.745 -7.712 1093 1HG MET 115 2HG MET 115 -13.275 -13.079 -9.507 1094 2HG MET 115 1HG MET 115 -11.536 -13.308 -9.709 1095 1HE MET 115 1HE MET 115 -13.639 -13.847 -12.004 1096 2HE MET 115 3HE MET 115 -11.908 -14.119 -12.208 1097 3HE MET 115 2HE MET 115 -13.060 -15.375 -12.665 1098 QB MET 115 QB MET 115 -11.805 -13.924 -7.546 1099 QG MET 115 QG MET 115 -12.405 -13.194 -9.608 1100 ME MET 115 QE MET 115 -12.869 -14.447 -12.292 1101 H ARG 116 H ARG 116 -12.813 -13.327 -5.173 1102 HA ARG 116 HA ARG 116 -12.085 -13.709 -3.133 1103 1HB ARG 116 2HB ARG 116 -13.867 -16.133 -3.222 1104 2HB ARG 116 1HB ARG 116 -13.116 -15.498 -1.758 1105 1HG ARG 116 2HG ARG 116 -15.184 -14.144 -3.485 1106 2HG ARG 116 1HG ARG 116 -15.427 -14.807 -1.873 1107 1HD ARG 116 2HD ARG 116 -13.596 -12.493 -2.548 1108 2HD ARG 116 1HD ARG 116 -15.202 -12.336 -1.880 1109 HE ARG 116 HE ARG 116 -13.367 -13.923 -0.322 1110 1HH1 ARG 116 1HH1 ARG 116 -14.793 -10.712 -0.883 1111 2HH1 ARG 116 2HH1 ARG 116 -14.438 -10.150 0.675 1112 1HH2 ARG 116 1HH2 ARG 116 -12.863 -13.105 1.784 1113 2HH2 ARG 116 2HH2 ARG 116 -13.301 -11.512 2.223 1114 QB ARG 116 QB ARG 116 -13.491 -15.815 -2.490 1115 QG ARG 116 QG ARG 116 -15.306 -14.476 -2.679 1116 QD ARG 116 QD ARG 116 -14.399 -12.415 -2.214 1117 QH1 ARG 116 QH1 ARG 116 -14.616 -10.431 -0.104 1118 QH2 ARG 116 QH2 ARG 116 -13.082 -12.309 2.003 1119 H SER 117 H SER 117 -11.970 -16.831 -4.828 1120 HA SER 117 HA SER 117 -9.905 -17.962 -3.343 1121 1HB SER 117 2HB SER 117 -10.672 -18.497 -6.205 1122 2HB SER 117 1HB SER 117 -9.757 -19.574 -5.145 1123 HG SER 117 HG SER 117 -11.542 -19.739 -3.807 1124 QB SER 117 QB SER 117 -10.215 -19.036 -5.675 1125 H LEU 118 H LEU 118 -9.571 -15.286 -5.265 1126 HA LEU 118 HA LEU 118 -7.006 -15.838 -6.387 1127 1HB LEU 118 2HB LEU 118 -6.954 -13.385 -6.844 1128 2HB LEU 118 1HB LEU 118 -8.261 -14.288 -7.596 1129 HG LEU 118 HG LEU 118 -9.771 -13.329 -5.779 1130 1HD1 LEU 118 3HD1 LEU 118 -7.409 -11.528 -5.267 1131 2HD1 LEU 118 2HD1 LEU 118 -9.034 -11.296 -4.628 1132 3HD1 LEU 118 1HD1 LEU 118 -8.085 -12.703 -4.141 1133 1HD2 LEU 118 3HD2 LEU 118 -8.410 -11.400 -7.651 1134 2HD2 LEU 118 2HD2 LEU 118 -9.771 -12.453 -8.039 1135 3HD2 LEU 118 1HD2 LEU 118 -9.973 -11.145 -6.874 1136 MD1 LEU 118 QD1 LEU 118 -8.176 -11.842 -4.679 1137 MD2 LEU 118 QD2 LEU 118 -9.384 -11.666 -7.521 1138 QB LEU 118 QB LEU 118 -7.608 -13.836 -7.220 1139 QD LEU 118 QQD LEU 118 -8.780 -11.754 -6.100 1140 H GLY 119 H GLY 119 -7.680 -15.636 -3.301 1141 1HA GLY 119 1HA GLY 119 -5.201 -14.144 -2.632 1142 2HA GLY 119 2HA GLY 119 -5.629 -15.670 -1.862 1143 QA GLY 119 QA GLY 119 -5.415 -14.907 -2.247 1144 H LEU 120 H LEU 120 -8.375 -13.955 -2.415 1145 HA LEU 120 HA LEU 120 -8.315 -12.459 0.115 1146 1HB LEU 120 2HB LEU 120 -9.093 -11.461 -2.127 1147 2HB LEU 120 1HB LEU 120 -10.418 -12.616 -1.983 1148 HG LEU 120 HG LEU 120 -11.286 -11.484 -0.035 1149 1HD1 LEU 120 3HD1 LEU 120 -8.912 -9.658 -0.320 1150 2HD1 LEU 120 2HD1 LEU 120 -10.273 -9.393 0.770 1151 3HD1 LEU 120 1HD1 LEU 120 -9.216 -10.786 1.001 1152 1HD2 LEU 120 1HD2 LEU 120 -10.616 -9.539 -2.240 1153 2HD2 LEU 120 3HD2 LEU 120 -11.985 -10.653 -2.220 1154 3HD2 LEU 120 2HD2 LEU 120 -11.897 -9.345 -1.042 1155 MD1 LEU 120 QD1 LEU 120 -9.467 -9.946 0.484 1156 MD2 LEU 120 QD2 LEU 120 -11.499 -9.845 -1.834 1157 QB LEU 120 QB LEU 120 -9.756 -12.039 -2.055 1158 QD LEU 120 QQD LEU 120 -10.483 -9.896 -0.675 1159 H ALA 121 H ALA 121 -8.686 -15.405 -0.691 1160 HA ALA 121 HA ALA 121 -11.294 -16.031 0.074 1161 1HB ALA 121 2HB ALA 121 -10.663 -18.377 -0.119 1162 2HB ALA 121 1HB ALA 121 -10.138 -17.418 -1.505 1163 3HB ALA 121 3HB ALA 121 -8.967 -17.902 -0.279 1164 MB ALA 121 QB ALA 121 -9.923 -17.899 -0.634 1165 H GLU 122 H GLU 122 -11.446 -15.139 2.020 1166 HA GLU 122 HA GLU 122 -9.999 -15.992 4.361 1167 1HB GLU 122 2HB GLU 122 -11.325 -13.798 4.025 1168 2HB GLU 122 1HB GLU 122 -12.772 -14.756 4.237 1169 1HG GLU 122 2HG GLU 122 -10.606 -14.388 6.312 1170 2HG GLU 122 1HG GLU 122 -12.111 -13.486 6.256 1171 QB GLU 122 QB GLU 122 -12.049 -14.277 4.131 1172 QG GLU 122 QG GLU 122 -11.359 -13.937 6.284 1173 H SER 123 H SER 123 -12.897 -16.825 2.633 1174 HA SER 123 HA SER 123 -14.100 -18.663 4.305 1175 1HB SER 123 2HB SER 123 -15.004 -19.484 2.045 1176 2HB SER 123 1HB SER 123 -15.302 -17.792 2.471 1177 HG SER 123 HG SER 123 -13.460 -18.886 0.659 1178 QB SER 123 QB SER 123 -15.153 -18.638 2.258 1179 H ARG 124 H ARG 124 -13.302 -20.492 5.023 1180 HA ARG 124 HA ARG 124 -10.974 -21.668 3.721 1181 1HB ARG 124 2HB ARG 124 -10.551 -22.956 5.695 1182 2HB ARG 124 1HB ARG 124 -10.963 -21.341 6.214 1183 1HG ARG 124 2HG ARG 124 -12.861 -23.687 6.256 1184 2HG ARG 124 1HG ARG 124 -11.908 -23.148 7.632 1185 1HD ARG 124 2HD ARG 124 -13.074 -20.992 7.571 1186 2HD ARG 124 1HD ARG 124 -14.004 -21.547 6.177 1187 HE ARG 124 HE ARG 124 -14.424 -23.422 8.071 1188 1HH1 ARG 124 1HH1 ARG 124 -14.917 -19.886 7.964 1189 2HH1 ARG 124 2HH1 ARG 124 -16.235 -19.913 9.041 1190 1HH2 ARG 124 1HH2 ARG 124 -16.290 -23.419 9.546 1191 2HH2 ARG 124 2HH2 ARG 124 -17.035 -21.953 9.933 1192 QB ARG 124 QB ARG 124 -10.757 -22.148 5.955 1193 QG ARG 124 QG ARG 124 -12.385 -23.418 6.944 1194 QD ARG 124 QD ARG 124 -13.539 -21.270 6.874 1195 QH1 ARG 124 QH1 ARG 124 -15.576 -19.899 8.503 1196 QH2 ARG 124 QH2 ARG 124 -16.663 -22.686 9.739 1197 H GLN 125 H GLN 125 -14.150 -21.961 3.357 1198 HA GLN 125 HA GLN 125 -13.894 -24.548 2.099 1199 1HB GLN 125 2HB GLN 125 -14.758 -25.047 4.369 1200 2HB GLN 125 1HB GLN 125 -16.083 -23.931 4.095 1201 1HG GLN 125 2HG GLN 125 -16.856 -25.334 2.236 1202 2HG GLN 125 1HG GLN 125 -15.560 -26.475 2.581 1203 1HE2 GLN 125 1HE2 GLN 125 -18.559 -25.141 3.653 1204 2HE2 GLN 125 2HE2 GLN 125 -18.915 -26.347 4.821 1205 QB GLN 125 QB GLN 125 -15.420 -24.489 4.232 1206 QG GLN 125 QG GLN 125 -16.208 -25.905 2.408 1207 QE GLN 125 QE2 GLN 125 -18.737 -25.744 4.237 No H/Q in entry = 1207
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