NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10909 | 1qlo | 4557 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -15.211 12.206 14.837 2 H2 MET 1 H2 MET 1 -14.916 11.393 16.297 3 H3 MET 1 H3 MET 1 -13.879 11.159 14.971 4 HA MET 1 HA MET 1 -15.265 9.254 15.119 5 1HB MET 1 1HB MET 1 -17.848 9.995 14.654 6 2HB MET 1 2HB MET 1 -17.201 9.657 16.258 7 1HG MET 1 1HG MET 1 -16.811 11.989 16.685 8 2HG MET 1 2HG MET 1 -17.137 12.413 15.005 9 1HE MET 1 1HE MET 1 -19.067 13.218 14.179 10 2HE MET 1 2HE MET 1 -19.652 11.575 13.884 11 3HE MET 1 3HE MET 1 -20.722 12.781 14.594 12 QB MET 1 QB MET 1 -17.524 9.826 15.456 13 QG MET 1 QG MET 1 -16.974 12.201 15.845 14 ME MET 1 ME MET 1 -19.813 12.525 14.219 15 H SER 2 H SER 2 -17.104 11.699 13.281 16 HA SER 2 HA SER 2 -17.481 11.855 10.968 17 1HB SER 2 1HB SER 2 -14.638 10.811 10.828 18 2HB SER 2 2HB SER 2 -15.496 11.675 9.555 19 HG SER 2 HG SER 2 -14.099 13.006 10.859 20 QB SER 2 QB SER 2 -15.067 11.243 10.192 21 H TRP 3 H TRP 3 -16.963 10.361 8.818 22 HA TRP 3 HA TRP 3 -18.088 7.711 9.567 23 1HB TRP 3 1HB TRP 3 -18.627 9.545 7.490 24 2HB TRP 3 2HB TRP 3 -17.868 8.152 6.719 25 HD1 TRP 3 HD1 TRP 3 -20.389 8.446 9.650 26 HE1 TRP 3 HE1 TRP 3 -22.345 6.831 9.184 27 HE3 TRP 3 HE3 TRP 3 -18.931 6.574 5.128 28 HZ2 TRP 3 HZ2 TRP 3 -23.180 4.988 7.160 29 HZ3 TRP 3 HZ3 TRP 3 -20.323 4.893 3.955 30 HH2 TRP 3 HH2 TRP 3 -22.443 4.098 4.964 31 QB TRP 3 QB TRP 3 -18.247 8.848 7.105 32 H ALA 4 H ALA 4 -15.437 7.734 10.243 33 HA ALA 4 HA ALA 4 -13.371 6.700 9.808 34 1HB ALA 4 2HB ALA 4 -14.069 4.865 7.766 35 2HB ALA 4 1HB ALA 4 -15.485 5.013 8.807 36 3HB ALA 4 3HB ALA 4 -13.930 4.542 9.494 37 MB ALA 4 MB ALA 4 -14.494 4.807 8.689 38 H LEU 5 H LEU 5 -14.119 9.048 8.167 39 HA LEU 5 HA LEU 5 -13.383 8.590 5.425 40 1HB LEU 5 1HB LEU 5 -13.200 11.127 7.079 41 2HB LEU 5 2HB LEU 5 -13.112 11.042 5.319 42 HG LEU 5 HG LEU 5 -15.458 9.716 6.564 43 1HD1 LEU 5 1HD1 LEU 5 -14.945 12.028 7.736 44 2HD1 LEU 5 2HD1 LEU 5 -15.577 12.695 6.231 45 3HD1 LEU 5 3HD1 LEU 5 -16.587 11.642 7.221 46 1HD2 LEU 5 1HD2 LEU 5 -15.078 11.606 4.217 47 2HD2 LEU 5 2HD2 LEU 5 -15.121 9.845 4.119 48 3HD2 LEU 5 3HD2 LEU 5 -16.564 10.737 4.601 49 MD1 LEU 5 MD1 LEU 5 -15.703 12.122 7.063 50 MD2 LEU 5 MD2 LEU 5 -15.587 10.729 4.313 51 QB LEU 5 QB LEU 5 -13.156 11.084 6.199 52 QD LEU 5 QD LEU 5 -15.645 11.425 5.688 53 H GLU 6 H GLU 6 -11.498 9.925 8.172 54 HA GLU 6 HA GLU 6 -9.052 10.307 6.882 55 1HB GLU 6 2HB GLU 6 -9.608 10.763 9.331 56 2HB GLU 6 1HB GLU 6 -7.996 10.118 9.021 57 1HG GLU 6 2HG GLU 6 -9.981 8.004 9.378 58 2HG GLU 6 1HG GLU 6 -9.871 9.057 10.787 59 QB GLU 6 QB GLU 6 -8.802 10.440 9.176 60 QG GLU 6 QG GLU 6 -9.926 8.530 10.083 61 H MET 7 H MET 7 -10.606 7.292 7.742 62 HA MET 7 HA MET 7 -8.186 5.710 7.210 63 1HB MET 7 1HB MET 7 -11.002 5.126 8.045 64 2HB MET 7 2HB MET 7 -10.071 3.833 7.289 65 1HG MET 7 1HG MET 7 -8.333 5.056 9.150 66 2HG MET 7 2HG MET 7 -9.878 4.864 9.979 67 1HE MET 7 1HE MET 7 -7.006 3.714 8.327 68 2HE MET 7 2HE MET 7 -6.568 2.640 9.653 69 3HE MET 7 3HE MET 7 -7.057 1.960 8.103 70 QB MET 7 QB MET 7 -10.536 4.479 7.667 71 QG MET 7 QG MET 7 -9.105 4.960 9.565 72 ME MET 7 ME MET 7 -6.877 2.771 8.695 73 H ALA 8 H ALA 8 -11.253 6.486 5.603 74 HA ALA 8 HA ALA 8 -11.008 4.748 3.378 75 1HB ALA 8 3HB ALA 8 -13.079 5.816 3.495 76 2HB ALA 8 2HB ALA 8 -12.296 6.717 2.197 77 3HB ALA 8 1HB ALA 8 -12.361 7.393 3.824 78 MB ALA 8 MB ALA 8 -12.578 6.642 3.172 79 H ASP 9 H ASP 9 -9.576 7.945 3.964 80 HA ASP 9 HA ASP 9 -8.549 8.368 1.336 81 1HB ASP 9 1HB ASP 9 -7.554 9.287 4.048 82 2HB ASP 9 2HB ASP 9 -6.875 9.849 2.520 83 QB ASP 9 QB ASP 9 -7.214 9.568 3.284 84 H THR 10 H THR 10 -6.842 7.122 4.236 85 HA THR 10 HA THR 10 -4.473 6.350 2.864 86 HB THR 10 HB THR 10 -5.696 5.046 5.316 87 HG1 THR 10 HG1 THR 10 -5.463 7.180 5.752 88 1HG2 THR 10 1HG2 THR 10 -3.024 4.943 3.971 89 2HG2 THR 10 2HG2 THR 10 -3.085 4.858 5.731 90 3HG2 THR 10 3HG2 THR 10 -3.930 3.653 4.761 91 MG THR 10 MG THR 10 -3.346 4.485 4.821 92 H PHE 11 H PHE 11 -7.625 4.963 2.868 93 HA PHE 11 HA PHE 11 -6.810 2.255 2.173 94 1HB PHE 11 1HB PHE 11 -9.077 3.070 3.167 95 2HB PHE 11 2HB PHE 11 -9.489 3.458 1.497 96 HD1 PHE 11 HD1 PHE 11 -7.939 0.648 3.456 97 HD2 PHE 11 HD2 PHE 11 -10.536 1.811 0.238 98 HE1 PHE 11 HE1 PHE 11 -8.478 -1.735 3.029 99 HE2 PHE 11 HE2 PHE 11 -11.074 -0.572 -0.189 100 HZ PHE 11 HZ PHE 11 -10.046 -2.345 1.207 101 QB PHE 11 QB PHE 11 -9.283 3.264 2.332 102 QD PHE 11 QD PHE 11 -9.237 1.229 1.847 103 QE PHE 11 QE PHE 11 -9.776 -1.154 1.420 104 QR PHE 11 QR PHE 11 -9.614 -0.439 1.549 105 H LEU 12 H LEU 12 -8.396 4.848 0.268 106 HA LEU 12 HA LEU 12 -8.048 3.603 -2.260 107 1HB LEU 12 1HB LEU 12 -8.755 6.270 -1.257 108 2HB LEU 12 2HB LEU 12 -7.892 6.318 -2.795 109 HG LEU 12 HG LEU 12 -9.517 4.506 -3.594 110 1HD1 LEU 12 1HD1 LEU 12 -10.303 4.662 -0.879 111 2HD1 LEU 12 2HD1 LEU 12 -11.633 5.340 -1.818 112 3HD1 LEU 12 3HD1 LEU 12 -11.056 3.709 -2.158 113 1HD2 LEU 12 1HD2 LEU 12 -9.956 7.383 -3.176 114 2HD2 LEU 12 2HD2 LEU 12 -10.175 6.415 -4.634 115 3HD2 LEU 12 3HD2 LEU 12 -11.449 6.477 -3.416 116 MD1 LEU 12 MD1 LEU 12 -10.997 4.570 -1.618 117 MD2 LEU 12 MD2 LEU 12 -10.526 6.758 -3.742 118 QB LEU 12 QB LEU 12 -8.323 6.294 -2.026 119 QD LEU 12 QD LEU 12 -10.762 5.664 -2.680 120 H ASP 13 H ASP 13 -5.849 5.397 -0.225 121 HA ASP 13 HA ASP 13 -3.876 6.005 -2.230 122 1HB ASP 13 1HB ASP 13 -4.160 6.306 0.610 123 2HB ASP 13 2HB ASP 13 -2.597 5.557 0.279 124 QB ASP 13 QB ASP 13 -3.378 5.931 0.445 125 H ASN 14 H ASN 14 -4.208 3.308 0.089 126 HA ASN 14 HA ASN 14 -2.163 1.822 -1.501 127 1HB ASN 14 1HB ASN 14 -2.811 1.968 1.380 128 2HB ASN 14 2HB ASN 14 -2.518 0.339 0.771 129 2HD2 ASN 14 1HD2 ASN 14 -0.350 -0.257 0.737 130 1HD2 ASN 14 2HD2 ASN 14 0.958 0.822 0.666 131 QB ASN 14 QB ASN 14 -2.664 1.153 1.076 132 QD ASN 14 QD ASN 14 0.304 0.282 0.702 133 H MET 15 H MET 15 -4.933 2.078 -2.325 134 HA MET 15 HA MET 15 -6.238 -0.463 -1.618 135 1HB MET 15 1HB MET 15 -7.076 2.041 -2.671 136 2HB MET 15 2HB MET 15 -7.442 0.821 -3.890 137 1HG MET 15 1HG MET 15 -8.125 0.339 -0.997 138 2HG MET 15 2HG MET 15 -9.206 1.276 -2.029 139 1HE MET 15 1HE MET 15 -11.030 0.320 -2.262 140 2HE MET 15 2HE MET 15 -10.860 -0.011 -3.992 141 3HE MET 15 3HE MET 15 -11.471 -1.259 -2.908 142 QB MET 15 QB MET 15 -7.259 1.431 -3.280 143 QG MET 15 QG MET 15 -8.665 0.807 -1.513 144 ME MET 15 ME MET 15 -11.120 -0.317 -3.054 145 H ARG 16 H ARG 16 -3.814 -1.110 -2.685 146 HA ARG 16 HA ARG 16 -4.190 -1.640 -5.574 147 1HB ARG 16 1HB ARG 16 -1.975 -0.878 -4.435 148 2HB ARG 16 2HB ARG 16 -1.842 -2.562 -3.926 149 1HG ARG 16 1HG ARG 16 -2.028 -3.291 -6.276 150 2HG ARG 16 2HG ARG 16 -2.159 -1.608 -6.788 151 1HD ARG 16 1HD ARG 16 0.091 -1.335 -5.442 152 2HD ARG 16 2HD ARG 16 0.220 -3.075 -5.696 153 HE ARG 16 HE ARG 16 -0.382 -1.601 -8.142 154 1HH1 ARG 16 1HH1 ARG 16 1.484 -4.040 -7.154 155 2HH1 ARG 16 2HH1 ARG 16 2.985 -3.477 -7.810 156 1HH2 ARG 16 1HH2 ARG 16 1.797 -0.290 -8.487 157 2HH2 ARG 16 2HH2 ARG 16 3.162 -1.353 -8.564 158 QB ARG 16 QB ARG 16 -1.908 -1.720 -4.180 159 QG ARG 16 QG ARG 16 -2.093 -2.450 -6.532 160 QD ARG 16 QD ARG 16 0.156 -2.205 -5.569 161 QH1 ARG 16 QH1 ARG 16 2.235 -3.759 -7.482 162 QH2 ARG 16 QH2 ARG 16 2.480 -0.822 -8.525 163 H VAL 17 H VAL 17 -6.118 -3.025 -4.414 164 HA VAL 17 HA VAL 17 -6.988 -5.194 -4.209 165 HB VAL 17 HB VAL 17 -4.332 -6.309 -5.082 166 1HG1 VAL 17 1HG1 VAL 17 -7.233 -7.043 -5.235 167 2HG1 VAL 17 2HG1 VAL 17 -6.150 -7.624 -6.500 168 3HG1 VAL 17 3HG1 VAL 17 -5.846 -8.048 -4.815 169 1HG2 VAL 17 1HG2 VAL 17 -5.951 -4.329 -6.494 170 2HG2 VAL 17 2HG2 VAL 17 -4.353 -4.957 -6.896 171 3HG2 VAL 17 3HG2 VAL 17 -5.797 -5.829 -7.409 172 MG1 VAL 17 MG1 VAL 17 -6.409 -7.572 -5.516 173 MG2 VAL 17 MG2 VAL 17 -5.367 -5.038 -6.933 174 QG VAL 17 QG VAL 17 -5.888 -6.305 -6.224 175 H GLY 18 H GLY 18 -5.301 -3.860 -2.073 176 1HA GLY 18 1HA GLY 18 -4.730 -4.450 0.132 177 2HA GLY 18 2HA GLY 18 -5.294 -6.084 -0.220 178 QA GLY 18 QA GLY 18 -5.012 -5.267 -0.044 179 1HB PRO 19 1HB PRO 19 -0.185 -6.919 2.350 180 2HB PRO 19 2HB PRO 19 -0.289 -5.183 2.011 181 1HG PRO 19 2HG PRO 19 -2.069 -5.220 3.483 182 2HG PRO 19 1HG PRO 19 -2.300 -6.967 3.300 183 1HD PRO 19 1HD PRO 19 -4.060 -6.477 1.908 184 2HD PRO 19 2HD PRO 19 -3.614 -4.758 1.855 185 QB PRO 19 QB PRO 19 -0.237 -6.051 2.181 186 QG PRO 19 QG PRO 19 -2.184 -6.094 3.392 187 QD PRO 19 QD PRO 19 -3.837 -5.618 1.882 188 H ARG 20 H ARG 20 0.826 -7.853 -0.066 189 HA ARG 20 HA ARG 20 -0.743 -10.397 -0.093 190 1HB ARG 20 1HB ARG 20 0.663 -9.139 -2.276 191 2HB ARG 20 2HB ARG 20 1.432 -10.678 -1.885 192 1HG ARG 20 1HG ARG 20 -0.877 -11.722 -1.905 193 2HG ARG 20 2HG ARG 20 -1.481 -10.200 -2.560 194 1HD ARG 20 1HD ARG 20 -0.872 -10.871 -4.617 195 2HD ARG 20 2HD ARG 20 0.809 -10.905 -4.085 196 HE ARG 20 HE ARG 20 0.659 -13.256 -3.982 197 1HH1 ARG 20 1HH1 ARG 20 -1.294 -13.973 -2.124 198 2HH1 ARG 20 2HH1 ARG 20 -2.664 -14.504 -3.041 199 1HH2 ARG 20 1HH2 ARG 20 -1.613 -13.003 -5.984 200 2HH2 ARG 20 2HH2 ARG 20 -2.844 -13.955 -5.225 201 QB ARG 20 QB ARG 20 1.048 -9.909 -2.080 202 QG ARG 20 QG ARG 20 -1.179 -10.961 -2.232 203 QD ARG 20 QD ARG 20 -0.031 -10.888 -4.351 204 QH1 ARG 20 QH1 ARG 20 -1.979 -14.239 -2.582 205 QH2 ARG 20 QH2 ARG 20 -2.228 -13.479 -5.604 206 H THR 21 H THR 21 2.584 -9.069 -0.037 207 HA THR 21 HA THR 21 3.212 -10.670 2.324 208 HB THR 21 HB THR 21 5.149 -11.274 0.192 209 HG1 THR 21 HG1 THR 21 3.441 -13.051 -0.330 210 1HG2 THR 21 1HG2 THR 21 3.951 -12.477 2.597 211 2HG2 THR 21 2HG2 THR 21 4.282 -13.629 1.303 212 3HG2 THR 21 3HG2 THR 21 5.585 -12.635 1.954 213 MG THR 21 MG THR 21 4.606 -12.914 1.952 214 H TYR 22 H TYR 22 5.552 -10.268 2.975 215 HA TYR 22 HA TYR 22 6.201 -7.442 2.347 216 1HB TYR 22 1HB TYR 22 7.093 -9.332 4.534 217 2HB TYR 22 2HB TYR 22 7.795 -7.729 4.311 218 HD1 TYR 22 HD1 TYR 22 5.731 -5.922 3.723 219 HD2 TYR 22 HD2 TYR 22 5.525 -9.390 6.249 220 HE1 TYR 22 HE1 TYR 22 3.825 -4.916 4.949 221 HE2 TYR 22 HE2 TYR 22 3.619 -8.384 7.474 222 HH TYR 22 HH TYR 22 2.529 -6.394 7.859 223 QB TYR 22 QB TYR 22 7.444 -8.531 4.423 224 QD TYR 22 QD TYR 22 5.628 -7.656 4.986 225 QE TYR 22 QE TYR 22 3.722 -6.650 6.212 226 QR TYR 22 QR TYR 22 4.675 -7.153 5.599 227 H ALA 23 H ALA 23 7.664 -10.677 2.098 228 HA ALA 23 HA ALA 23 10.292 -9.815 1.462 229 1HB ALA 23 1HB ALA 23 8.756 -12.296 1.261 230 2HB ALA 23 3HB ALA 23 10.447 -12.059 1.703 231 3HB ALA 23 2HB ALA 23 9.981 -12.131 0.004 232 MB ALA 23 MB ALA 23 9.728 -12.162 0.990 233 H ASP 24 H ASP 24 7.480 -10.263 -0.528 234 HA ASP 24 HA ASP 24 8.896 -9.765 -3.026 235 1HB ASP 24 1HB ASP 24 6.217 -9.194 -3.550 236 2HB ASP 24 2HB ASP 24 7.019 -10.739 -3.810 237 QB ASP 24 QB ASP 24 6.618 -9.967 -3.680 238 H VAL 25 H VAL 25 6.156 -7.862 -1.752 239 HA VAL 25 HA VAL 25 6.642 -5.509 -3.118 240 HB VAL 25 HB VAL 25 5.797 -5.711 -0.212 241 1HG1 VAL 25 1HG1 VAL 25 5.915 -3.504 -2.208 242 2HG1 VAL 25 2HG1 VAL 25 4.470 -3.588 -1.201 243 3HG1 VAL 25 3HG1 VAL 25 6.060 -3.440 -0.452 244 1HG2 VAL 25 1HG2 VAL 25 4.582 -6.772 -2.499 245 2HG2 VAL 25 2HG2 VAL 25 3.801 -6.480 -0.945 246 3HG2 VAL 25 3HG2 VAL 25 3.726 -5.257 -2.214 247 MG1 VAL 25 MG1 VAL 25 5.482 -3.511 -1.287 248 MG2 VAL 25 MG2 VAL 25 4.037 -6.170 -1.886 249 QG VAL 25 QG VAL 25 4.759 -4.840 -1.586 250 H ARG 26 H ARG 26 8.407 -6.734 -0.323 251 HA ARG 26 HA ARG 26 9.861 -4.289 0.192 252 1HB ARG 26 1HB ARG 26 9.652 -6.079 1.883 253 2HB ARG 26 2HB ARG 26 10.609 -7.152 0.860 254 1HG ARG 26 1HG ARG 26 12.577 -5.966 1.221 255 2HG ARG 26 2HG ARG 26 11.725 -4.465 1.589 256 1HD ARG 26 1HD ARG 26 10.876 -5.563 3.698 257 2HD ARG 26 2HD ARG 26 11.951 -6.918 3.353 258 HE ARG 26 HE ARG 26 12.786 -4.565 4.634 259 1HH1 ARG 26 1HH1 ARG 26 13.778 -3.767 1.941 260 2HH1 ARG 26 2HH1 ARG 26 15.359 -4.473 1.901 261 1HH2 ARG 26 1HH2 ARG 26 14.753 -6.625 4.553 262 2HH2 ARG 26 2HH2 ARG 26 15.912 -6.092 3.381 263 QB ARG 26 QB ARG 26 10.131 -6.616 1.372 264 QG ARG 26 QG ARG 26 12.151 -5.216 1.405 265 QD ARG 26 QD ARG 26 11.414 -6.241 3.526 266 QH1 ARG 26 QH1 ARG 26 14.569 -4.120 1.921 267 QH2 ARG 26 QH2 ARG 26 15.333 -6.359 3.967 268 H ASP 27 H ASP 27 10.732 -7.287 -1.585 269 HA ASP 27 HA ASP 27 13.335 -6.408 -2.340 270 1HB ASP 27 2HB ASP 27 12.581 -8.752 -2.593 271 2HB ASP 27 1HB ASP 27 13.219 -8.113 -4.106 272 QB ASP 27 QB ASP 27 12.900 -8.433 -3.349 273 H GLU 28 H GLU 28 10.246 -5.338 -3.374 274 HA GLU 28 HA GLU 28 10.959 -4.492 -6.033 275 1HB GLU 28 1HB GLU 28 8.598 -4.679 -4.970 276 2HB GLU 28 2HB GLU 28 8.928 -3.079 -4.304 277 1HG GLU 28 1HG GLU 28 9.700 -2.808 -6.946 278 2HG GLU 28 2HG GLU 28 8.282 -3.852 -7.059 279 QB GLU 28 QB GLU 28 8.763 -3.879 -4.637 280 QG GLU 28 QG GLU 28 8.991 -3.330 -7.002 281 H ILE 29 H ILE 29 11.264 -3.008 -2.832 282 HA ILE 29 HA ILE 29 12.138 -0.459 -3.949 283 HB ILE 29 HB ILE 29 12.336 -1.567 -1.134 284 1HG1 ILE 29 1HG1 ILE 29 10.564 0.690 -1.552 285 2HG1 ILE 29 2HG1 ILE 29 10.134 -0.637 -2.632 286 1HG2 ILE 29 1HG2 ILE 29 13.244 0.974 -2.393 287 2HG2 ILE 29 2HG2 ILE 29 12.443 1.108 -0.828 288 3HG2 ILE 29 3HG2 ILE 29 13.892 0.117 -0.995 289 1HD1 ILE 29 1HD1 ILE 29 10.472 -2.091 -0.440 290 2HD1 ILE 29 2HD1 ILE 29 10.140 -0.555 0.361 291 3HD1 ILE 29 3HD1 ILE 29 8.949 -1.253 -0.737 292 MG ILE 29 MG ILE 29 13.193 0.733 -1.405 293 MD ILE 29 MD ILE 29 9.854 -1.300 -0.272 294 QG ILE 29 QG ILE 29 10.349 0.026 -2.092 295 H ASN 30 H ASN 30 13.603 -3.056 -4.550 296 HA ASN 30 HA ASN 30 16.331 -2.186 -3.761 297 1HB ASN 30 1HB ASN 30 15.329 -4.915 -4.633 298 2HB ASN 30 2HB ASN 30 17.013 -4.527 -4.280 299 2HD2 ASN 30 1HD2 ASN 30 16.424 -2.762 -1.995 300 1HD2 ASN 30 2HD2 ASN 30 15.877 -3.761 -0.737 301 QB ASN 30 QB ASN 30 16.171 -4.721 -4.456 302 QD ASN 30 QD ASN 30 16.151 -3.262 -1.366 303 H LYS 31 H LYS 31 14.803 -3.996 -6.458 304 HA LYS 31 HA LYS 31 16.737 -2.922 -8.356 305 1HB LYS 31 1HB LYS 31 14.177 -4.498 -8.783 306 2HB LYS 31 2HB LYS 31 15.368 -4.141 -10.035 307 1HG LYS 31 1HG LYS 31 16.338 -5.418 -7.513 308 2HG LYS 31 2HG LYS 31 15.454 -6.425 -8.661 309 1HD LYS 31 1HD LYS 31 17.258 -6.548 -9.998 310 2HD LYS 31 2HD LYS 31 17.339 -4.788 -10.093 311 1HE LYS 31 2HE LYS 31 18.254 -5.476 -7.509 312 2HE LYS 31 1HE LYS 31 19.213 -4.855 -8.853 313 1HZ LYS 31 1HZ LYS 31 18.554 -7.671 -8.996 314 2HZ LYS 31 2HZ LYS 31 20.016 -6.880 -9.329 315 3HZ LYS 31 3HZ LYS 31 19.594 -7.243 -7.723 316 QB LYS 31 QB LYS 31 14.773 -4.320 -9.409 317 QD LYS 31 QD LYS 31 17.299 -5.668 -10.045 318 QG LYS 31 QG LYS 31 15.896 -5.922 -8.087 319 QE LYS 31 QE LYS 31 18.734 -5.166 -8.181 320 QZ LYS 31 QZ LYS 31 19.388 -7.265 -8.682 321 H ARG 32 H ARG 32 13.631 -1.951 -7.138 322 HA ARG 32 HA ARG 32 13.303 -0.044 -9.406 323 1HB ARG 32 1HB ARG 32 11.395 -1.588 -8.568 324 2HB ARG 32 2HB ARG 32 11.303 -0.488 -7.192 325 1HG ARG 32 1HG ARG 32 10.154 1.001 -8.423 326 2HG ARG 32 2HG ARG 32 11.457 1.056 -9.610 327 1HD ARG 32 2HD ARG 32 9.398 0.339 -10.707 328 2HD ARG 32 1HD ARG 32 9.190 -0.956 -9.528 329 HE ARG 32 HE ARG 32 11.742 -1.278 -10.742 330 1HH1 ARG 32 1HH1 ARG 32 8.393 -1.892 -11.052 331 2HH1 ARG 32 2HH1 ARG 32 8.550 -2.837 -12.496 332 1HH2 ARG 32 1HH2 ARG 32 11.959 -2.289 -12.802 333 2HH2 ARG 32 2HH2 ARG 32 10.568 -3.060 -13.486 334 QB ARG 32 QB ARG 32 11.349 -1.038 -7.880 335 QG ARG 32 QG ARG 32 10.806 1.028 -9.016 336 QD ARG 32 QD ARG 32 9.294 -0.309 -10.117 337 QH1 ARG 32 QH1 ARG 32 8.472 -2.365 -11.774 338 QH2 ARG 32 QH2 ARG 32 11.264 -2.675 -13.144 339 H GLY 33 H GLY 33 15.390 0.567 -7.684 340 1HA GLY 33 1HA GLY 33 14.538 2.313 -5.528 341 2HA GLY 33 2HA GLY 33 16.175 2.200 -6.177 342 QA GLY 33 QA GLY 33 15.357 2.256 -5.852 343 H ARG 34 H ARG 34 16.512 4.442 -6.350 344 HA ARG 34 HA ARG 34 14.606 5.985 -8.028 345 1HB ARG 34 1HB ARG 34 15.546 6.835 -5.780 346 2HB ARG 34 2HB ARG 34 17.061 7.078 -6.649 347 1HG ARG 34 1HG ARG 34 14.544 8.149 -7.863 348 2HG ARG 34 2HG ARG 34 15.256 9.020 -6.504 349 1HD ARG 34 1HD ARG 34 17.394 9.178 -7.690 350 2HD ARG 34 2HD ARG 34 16.738 8.243 -9.033 351 HE ARG 34 HE ARG 34 15.128 10.588 -8.509 352 1HH1 ARG 34 1HH1 ARG 34 18.262 11.087 -8.792 353 2HH1 ARG 34 2HH1 ARG 34 18.293 11.636 -10.434 354 1HH2 ARG 34 1HH2 ARG 34 15.061 10.588 -11.124 355 2HH2 ARG 34 2HH2 ARG 34 16.480 11.354 -11.755 356 QB ARG 34 QB ARG 34 16.304 6.956 -6.214 357 QG ARG 34 QG ARG 34 14.900 8.584 -7.183 358 QD ARG 34 QD ARG 34 17.066 8.710 -8.361 359 QH1 ARG 34 QH1 ARG 34 18.278 11.361 -9.613 360 QH2 ARG 34 QH2 ARG 34 15.771 10.971 -11.439 No H/Q in entry = 360 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -17.751 17.416 4.386 2 H2 MET 1 H2 MET 1 -16.699 17.786 3.107 3 H3 MET 1 H3 MET 1 -16.921 16.170 3.581 4 HA MET 1 HA MET 1 -14.843 16.845 4.451 5 1HB MET 1 1HB MET 1 -16.413 19.304 5.100 6 2HB MET 1 2HB MET 1 -15.091 18.863 6.181 7 1HG MET 1 1HG MET 1 -13.938 20.142 4.629 8 2HG MET 1 2HG MET 1 -13.775 18.544 3.899 9 1HE MET 1 1HE MET 1 -13.666 18.475 1.771 10 2HE MET 1 2HE MET 1 -15.266 17.749 1.661 11 3HE MET 1 3HE MET 1 -14.795 19.034 0.541 12 QB MET 1 QB MET 1 -15.752 19.084 5.641 13 QG MET 1 QG MET 1 -13.856 19.343 4.264 14 ME MET 1 ME MET 1 -14.576 18.419 1.324 15 H SER 2 H SER 2 -17.743 15.788 5.394 16 HA SER 2 HA SER 2 -16.738 15.087 8.116 17 1HB SER 2 1HB SER 2 -18.872 15.459 9.097 18 2HB SER 2 2HB SER 2 -18.581 16.876 8.092 19 HG SER 2 HG SER 2 -20.484 14.933 7.886 20 QB SER 2 QB SER 2 -18.726 16.168 8.595 21 H TRP 3 H TRP 3 -16.187 12.971 7.604 22 HA TRP 3 HA TRP 3 -18.244 11.001 7.502 23 1HB TRP 3 1HB TRP 3 -18.121 12.144 5.075 24 2HB TRP 3 2HB TRP 3 -16.819 10.971 4.881 25 HD1 TRP 3 HD1 TRP 3 -17.663 8.818 3.853 26 HE1 TRP 3 HE1 TRP 3 -19.822 7.416 3.993 27 HE3 TRP 3 HE3 TRP 3 -20.389 11.710 7.060 28 HZ2 TRP 3 HZ2 TRP 3 -22.368 7.509 5.292 29 HZ3 TRP 3 HZ3 TRP 3 -22.676 11.031 7.731 30 HH2 TRP 3 HH2 TRP 3 -23.668 8.936 6.851 31 QB TRP 3 QB TRP 3 -17.470 11.558 4.978 32 H ALA 4 H ALA 4 -16.621 9.166 5.792 33 HA ALA 4 HA ALA 4 -14.455 8.681 7.786 34 1HB ALA 4 2HB ALA 4 -14.704 6.502 5.974 35 2HB ALA 4 1HB ALA 4 -16.337 6.983 6.433 36 3HB ALA 4 3HB ALA 4 -15.163 6.548 7.676 37 MB ALA 4 MB ALA 4 -15.401 6.678 6.694 38 H LEU 5 H LEU 5 -14.193 10.664 5.620 39 HA LEU 5 HA LEU 5 -12.629 9.531 3.475 40 1HB LEU 5 1HB LEU 5 -13.695 11.696 3.184 41 2HB LEU 5 2HB LEU 5 -12.806 12.359 4.557 42 HG LEU 5 HG LEU 5 -10.836 11.270 2.879 43 1HD1 LEU 5 1HD1 LEU 5 -13.111 11.706 1.314 44 2HD1 LEU 5 2HD1 LEU 5 -12.118 13.139 1.048 45 3HD1 LEU 5 3HD1 LEU 5 -11.458 11.535 0.726 46 1HD2 LEU 5 1HD2 LEU 5 -11.507 13.710 4.139 47 2HD2 LEU 5 2HD2 LEU 5 -9.969 13.291 3.385 48 3HD2 LEU 5 3HD2 LEU 5 -11.219 14.107 2.445 49 MD1 LEU 5 MD1 LEU 5 -12.229 12.127 1.029 50 MD2 LEU 5 MD2 LEU 5 -10.898 13.702 3.323 51 QB LEU 5 QB LEU 5 -13.251 12.028 3.871 52 QD LEU 5 QD LEU 5 -11.564 12.914 2.176 53 H GLU 6 H GLU 6 -11.886 10.643 6.715 54 HA GLU 6 HA GLU 6 -9.066 10.990 6.404 55 1HB GLU 6 1HB GLU 6 -10.729 10.183 8.806 56 2HB GLU 6 2HB GLU 6 -9.007 10.558 8.891 57 1HG GLU 6 1HG GLU 6 -10.809 12.527 7.541 58 2HG GLU 6 2HG GLU 6 -10.844 12.442 9.302 59 QB GLU 6 QB GLU 6 -9.868 10.371 8.848 60 QG GLU 6 QG GLU 6 -10.826 12.484 8.422 61 H MET 7 H MET 7 -10.815 8.167 7.772 62 HA MET 7 HA MET 7 -8.475 6.488 7.735 63 1HB MET 7 1HB MET 7 -10.261 5.915 9.237 64 2HB MET 7 2HB MET 7 -11.432 5.866 7.918 65 1HG MET 7 1HG MET 7 -10.424 3.903 6.978 66 2HG MET 7 2HG MET 7 -9.022 4.037 8.041 67 1HE MET 7 1HE MET 7 -12.512 3.117 7.404 68 2HE MET 7 2HE MET 7 -13.204 2.479 8.894 69 3HE MET 7 3HE MET 7 -13.032 4.226 8.670 70 QB MET 7 QB MET 7 -10.846 5.890 8.577 71 QG MET 7 QG MET 7 -9.723 3.970 7.510 72 ME MET 7 ME MET 7 -12.916 3.274 8.323 73 H ALA 8 H ALA 8 -11.322 6.664 5.580 74 HA ALA 8 HA ALA 8 -10.675 4.630 3.779 75 1HB ALA 8 3HB ALA 8 -12.731 5.689 3.376 76 2HB ALA 8 2HB ALA 8 -11.740 6.249 2.029 77 3HB ALA 8 1HB ALA 8 -12.017 7.301 3.418 78 MB ALA 8 MB ALA 8 -12.163 6.413 2.941 79 H ASP 9 H ASP 9 -9.264 7.857 4.037 80 HA ASP 9 HA ASP 9 -7.903 8.050 1.597 81 1HB ASP 9 1HB ASP 9 -7.596 9.162 4.282 82 2HB ASP 9 2HB ASP 9 -6.048 8.971 3.457 83 QB ASP 9 QB ASP 9 -6.822 9.066 3.869 84 H THR 10 H THR 10 -6.845 6.343 4.550 85 HA THR 10 HA THR 10 -4.344 5.449 3.474 86 HB THR 10 HB THR 10 -6.106 4.374 5.689 87 HG1 THR 10 HG1 THR 10 -3.968 6.135 5.432 88 1HG2 THR 10 1HG2 THR 10 -3.800 3.168 4.364 89 2HG2 THR 10 2HG2 THR 10 -3.528 3.415 6.089 90 3HG2 THR 10 3HG2 THR 10 -4.910 2.466 5.540 91 MG THR 10 MG THR 10 -4.079 3.016 5.331 92 H PHE 11 H PHE 11 -7.593 4.006 3.471 93 HA PHE 11 HA PHE 11 -6.745 1.505 2.299 94 1HB PHE 11 1HB PHE 11 -9.339 2.871 2.824 95 2HB PHE 11 2HB PHE 11 -9.334 1.615 1.588 96 HD1 PHE 11 HD1 PHE 11 -7.945 2.211 5.028 97 HD2 PHE 11 HD2 PHE 11 -9.718 -0.574 2.280 98 HE1 PHE 11 HE1 PHE 11 -7.951 0.471 6.796 99 HE2 PHE 11 HE2 PHE 11 -9.724 -2.314 4.047 100 HZ PHE 11 HZ PHE 11 -8.841 -1.791 6.305 101 QB PHE 11 QB PHE 11 -9.336 2.243 2.206 102 QD PHE 11 QD PHE 11 -8.831 0.818 3.654 103 QE PHE 11 QE PHE 11 -8.838 -0.922 5.421 104 QR PHE 11 QR PHE 11 -8.836 -0.400 4.891 105 H LEU 12 H LEU 12 -8.909 3.878 0.748 106 HA LEU 12 HA LEU 12 -8.614 3.126 -1.884 107 1HB LEU 12 1HB LEU 12 -9.814 5.220 -0.700 108 2HB LEU 12 2HB LEU 12 -8.427 6.059 -1.395 109 HG LEU 12 HG LEU 12 -9.013 4.830 -3.587 110 1HD1 LEU 12 1HD1 LEU 12 -11.073 3.848 -1.807 111 2HD1 LEU 12 2HD1 LEU 12 -11.800 4.708 -3.164 112 3HD1 LEU 12 3HD1 LEU 12 -10.710 3.353 -3.460 113 1HD2 LEU 12 1HD2 LEU 12 -9.572 7.299 -2.741 114 2HD2 LEU 12 2HD2 LEU 12 -10.214 6.691 -4.268 115 3HD2 LEU 12 3HD2 LEU 12 -11.227 6.694 -2.824 116 MD1 LEU 12 MD1 LEU 12 -11.195 3.970 -2.810 117 MD2 LEU 12 MD2 LEU 12 -10.338 6.895 -3.278 118 QB LEU 12 QB LEU 12 -9.120 5.639 -1.047 119 QD LEU 12 QD LEU 12 -10.766 5.432 -3.044 120 H ASP 13 H ASP 13 -6.371 5.251 -0.094 121 HA ASP 13 HA ASP 13 -4.617 5.815 -2.254 122 1HB ASP 13 1HB ASP 13 -4.573 6.928 -0.005 123 2HB ASP 13 2HB ASP 13 -3.842 5.466 0.656 124 QB ASP 13 QB ASP 13 -4.208 6.197 0.325 125 H ASN 14 H ASN 14 -4.122 3.367 0.325 126 HA ASN 14 HA ASN 14 -1.885 2.089 -0.727 127 1HB ASN 14 1HB ASN 14 -4.110 1.308 1.039 128 2HB ASN 14 2HB ASN 14 -3.350 -0.047 0.204 129 2HD2 ASN 14 1HD2 ASN 14 -2.714 -0.409 2.671 130 1HD2 ASN 14 2HD2 ASN 14 -1.232 0.270 3.146 131 QB ASN 14 QB ASN 14 -3.730 0.631 0.621 132 QD ASN 14 QD ASN 14 -1.973 -0.070 2.909 133 H MET 15 H MET 15 -5.175 1.990 -1.903 134 HA MET 15 HA MET 15 -4.327 -0.015 -3.955 135 1HB MET 15 2HB MET 15 -6.612 -0.679 -4.163 136 2HB MET 15 1HB MET 15 -7.177 0.724 -3.258 137 1HG MET 15 2HG MET 15 -7.201 -1.325 -1.866 138 2HG MET 15 1HG MET 15 -6.071 -0.130 -1.231 139 1HE MET 15 1HE MET 15 -6.289 -3.330 -0.734 140 2HE MET 15 2HE MET 15 -4.575 -3.732 -0.569 141 3HE MET 15 3HE MET 15 -5.215 -2.268 0.173 142 QB MET 15 QB MET 15 -6.894 0.022 -3.711 143 QG MET 15 QG MET 15 -6.636 -0.728 -1.548 144 ME MET 15 ME MET 15 -5.360 -3.110 -0.377 145 H ARG 16 H ARG 16 -3.405 2.416 -4.555 146 HA ARG 16 HA ARG 16 -5.310 4.102 -5.942 147 1HB ARG 16 1HB ARG 16 -3.149 5.076 -6.954 148 2HB ARG 16 2HB ARG 16 -3.329 5.189 -5.204 149 1HG ARG 16 1HG ARG 16 -1.703 3.611 -4.792 150 2HG ARG 16 2HG ARG 16 -2.027 2.734 -6.287 151 1HD ARG 16 1HD ARG 16 -1.114 5.371 -6.952 152 2HD ARG 16 2HD ARG 16 0.016 4.654 -5.802 153 HE ARG 16 HE ARG 16 -0.148 2.617 -7.495 154 1HH1 ARG 16 1HH1 ARG 16 -0.903 2.990 -9.904 155 2HH1 ARG 16 2HH1 ARG 16 0.105 4.141 -10.716 156 1HH2 ARG 16 1HH2 ARG 16 1.467 5.408 -7.789 157 2HH2 ARG 16 2HH2 ARG 16 1.446 5.511 -9.519 158 QB ARG 16 QB ARG 16 -3.239 5.133 -6.079 159 QG ARG 16 QG ARG 16 -1.865 3.172 -5.540 160 QD ARG 16 QD ARG 16 -0.549 5.012 -6.377 161 QH1 ARG 16 QH1 ARG 16 -0.399 3.566 -10.310 162 QH2 ARG 16 QH2 ARG 16 1.456 5.459 -8.654 163 H VAL 17 H VAL 17 -3.932 1.123 -6.678 164 HA VAL 17 HA VAL 17 -5.006 1.219 -9.400 165 HB VAL 17 HB VAL 17 -2.652 2.174 -9.558 166 1HG1 VAL 17 1HG1 VAL 17 -2.010 0.159 -7.830 167 2HG1 VAL 17 2HG1 VAL 17 -1.534 -0.559 -9.370 168 3HG1 VAL 17 3HG1 VAL 17 -0.839 0.981 -8.861 169 1HG2 VAL 17 1HG2 VAL 17 -3.962 0.139 -11.119 170 2HG2 VAL 17 2HG2 VAL 17 -2.905 1.438 -11.673 171 3HG2 VAL 17 3HG2 VAL 17 -2.218 -0.111 -11.189 172 MG1 VAL 17 MG1 VAL 17 -1.461 0.194 -8.687 173 MG2 VAL 17 MG2 VAL 17 -3.028 0.489 -11.327 174 QG VAL 17 QG VAL 17 -2.245 0.341 -10.007 175 H GLY 18 H GLY 18 -5.864 -0.312 -7.304 176 1HA GLY 18 1HA GLY 18 -4.594 -2.855 -7.018 177 2HA GLY 18 2HA GLY 18 -6.290 -2.526 -6.671 178 QA GLY 18 QA GLY 18 -5.442 -2.691 -6.845 179 1HB PRO 19 1HB PRO 19 -8.972 -2.437 -11.830 180 2HB PRO 19 2HB PRO 19 -9.567 -3.264 -10.380 181 1HG PRO 19 2HG PRO 19 -9.685 -1.144 -9.473 182 2HG PRO 19 1HG PRO 19 -8.559 -0.475 -10.665 183 1HD PRO 19 1HD PRO 19 -6.943 -0.575 -9.046 184 2HD PRO 19 2HD PRO 19 -7.996 -1.515 -7.967 185 QB PRO 19 QB PRO 19 -9.269 -2.851 -11.105 186 QG PRO 19 QG PRO 19 -9.122 -0.810 -10.069 187 QD PRO 19 QD PRO 19 -7.470 -1.045 -8.507 188 H ARG 20 H ARG 20 -5.536 -4.700 -11.546 189 HA ARG 20 HA ARG 20 -5.173 -3.130 -14.007 190 1HB ARG 20 1HB ARG 20 -3.762 -1.842 -12.517 191 2HB ARG 20 2HB ARG 20 -3.027 -3.310 -11.870 192 1HG ARG 20 1HG ARG 20 -2.052 -3.821 -14.057 193 2HG ARG 20 2HG ARG 20 -2.836 -2.405 -14.758 194 1HD ARG 20 1HD ARG 20 -1.517 -1.328 -12.588 195 2HD ARG 20 2HD ARG 20 -0.393 -2.575 -13.132 196 HE ARG 20 HE ARG 20 -0.834 -1.412 -15.477 197 1HH1 ARG 20 1HH1 ARG 20 -2.059 0.694 -13.370 198 2HH1 ARG 20 2HH1 ARG 20 -0.842 1.918 -13.512 199 1HH2 ARG 20 1HH2 ARG 20 1.378 -0.117 -15.234 200 2HH2 ARG 20 2HH2 ARG 20 1.105 1.458 -14.566 201 QB ARG 20 QB ARG 20 -3.394 -2.576 -12.193 202 QG ARG 20 QG ARG 20 -2.444 -3.113 -14.408 203 QD ARG 20 QD ARG 20 -0.955 -1.951 -12.860 204 QH1 ARG 20 QH1 ARG 20 -1.450 1.306 -13.441 205 QH2 ARG 20 QH2 ARG 20 1.242 0.671 -14.900 206 H THR 21 H THR 21 -2.760 -5.135 -12.369 207 HA THR 21 HA THR 21 -2.930 -7.057 -14.618 208 HB THR 21 HB THR 21 -0.975 -7.826 -12.675 209 HG1 THR 21 HG1 THR 21 -0.022 -5.454 -13.370 210 1HG2 THR 21 1HG2 THR 21 -0.968 -6.688 -15.465 211 2HG2 THR 21 2HG2 THR 21 0.543 -7.023 -14.621 212 3HG2 THR 21 3HG2 THR 21 -0.593 -8.331 -14.945 213 MG THR 21 MG THR 21 -0.339 -7.347 -15.010 214 H TYR 22 H TYR 22 -3.755 -9.116 -14.354 215 HA TYR 22 HA TYR 22 -3.851 -10.739 -12.123 216 1HB TYR 22 1HB TYR 22 -5.552 -8.430 -11.732 217 2HB TYR 22 2HB TYR 22 -6.519 -9.905 -11.732 218 HD1 TYR 22 HD1 TYR 22 -5.229 -11.956 -10.460 219 HD2 TYR 22 HD2 TYR 22 -4.741 -7.765 -9.654 220 HE1 TYR 22 HE1 TYR 22 -4.430 -12.488 -8.175 221 HE2 TYR 22 HE2 TYR 22 -3.938 -8.298 -7.369 222 HH TYR 22 HH TYR 22 -4.204 -11.462 -6.021 223 QB TYR 22 QB TYR 22 -6.035 -9.168 -11.732 224 QD TYR 22 QD TYR 22 -4.985 -9.860 -10.057 225 QE TYR 22 QE TYR 22 -4.184 -10.393 -7.772 226 QR TYR 22 QR TYR 22 -4.585 -10.127 -8.914 227 H ALA 23 H ALA 23 -5.994 -9.453 -14.683 228 HA ALA 23 HA ALA 23 -7.579 -11.786 -14.992 229 1HB ALA 23 2HB ALA 23 -7.189 -10.698 -17.560 230 2HB ALA 23 1HB ALA 23 -7.123 -9.339 -16.438 231 3HB ALA 23 3HB ALA 23 -8.540 -10.391 -16.468 232 MB ALA 23 MB ALA 23 -7.617 -10.143 -16.822 233 H ASP 24 H ASP 24 -5.326 -10.880 -17.478 234 HA ASP 24 HA ASP 24 -4.862 -13.358 -18.606 235 1HB ASP 24 2HB ASP 24 -2.893 -12.476 -19.580 236 2HB ASP 24 1HB ASP 24 -2.570 -11.438 -18.190 237 QB ASP 24 QB ASP 24 -2.732 -11.957 -18.885 238 H VAL 25 H VAL 25 -2.619 -11.940 -16.185 239 HA VAL 25 HA VAL 25 -1.008 -14.138 -15.727 240 HB VAL 25 HB VAL 25 -0.901 -13.331 -13.300 241 1HG1 VAL 25 1HG1 VAL 25 0.514 -12.498 -15.244 242 2HG1 VAL 25 2HG1 VAL 25 -0.616 -11.152 -15.383 243 3HG1 VAL 25 3HG1 VAL 25 0.329 -11.362 -13.908 244 1HG2 VAL 25 1HG2 VAL 25 -3.268 -11.921 -14.293 245 2HG2 VAL 25 2HG2 VAL 25 -2.738 -12.186 -12.632 246 3HG2 VAL 25 3HG2 VAL 25 -2.089 -10.833 -13.560 247 MG1 VAL 25 MG1 VAL 25 0.076 -11.671 -14.845 248 MG2 VAL 25 MG2 VAL 25 -2.699 -11.647 -13.495 249 QG VAL 25 QG VAL 25 -1.312 -11.659 -14.170 250 H ARG 26 H ARG 26 -4.205 -13.574 -14.284 251 HA ARG 26 HA ARG 26 -4.208 -15.939 -12.650 252 1HB ARG 26 1HB ARG 26 -6.282 -14.066 -13.744 253 2HB ARG 26 2HB ARG 26 -6.839 -15.634 -13.163 254 1HG ARG 26 1HG ARG 26 -5.830 -15.257 -10.991 255 2HG ARG 26 2HG ARG 26 -5.067 -13.772 -11.555 256 1HD ARG 26 1HD ARG 26 -6.913 -12.596 -11.040 257 2HD ARG 26 2HD ARG 26 -7.889 -13.631 -12.085 258 HE ARG 26 HE ARG 26 -7.884 -15.217 -10.004 259 1HH1 ARG 26 1HH1 ARG 26 -6.618 -13.720 -7.962 260 2HH1 ARG 26 2HH1 ARG 26 -7.864 -12.723 -7.287 261 1HH2 ARG 26 1HH2 ARG 26 -9.996 -13.095 -9.996 262 2HH2 ARG 26 2HH2 ARG 26 -9.776 -12.369 -8.440 263 QB ARG 26 QB ARG 26 -6.561 -14.850 -13.453 264 QG ARG 26 QG ARG 26 -5.449 -14.515 -11.273 265 QD ARG 26 QD ARG 26 -7.401 -13.114 -11.562 266 QH1 ARG 26 QH1 ARG 26 -7.241 -13.221 -7.625 267 QH2 ARG 26 QH2 ARG 26 -9.886 -12.732 -9.218 268 H ASP 27 H ASP 27 -5.895 -15.545 -15.852 269 HA ASP 27 HA ASP 27 -6.593 -18.229 -16.270 270 1HB ASP 27 1HB ASP 27 -5.235 -16.424 -18.330 271 2HB ASP 27 2HB ASP 27 -6.187 -17.864 -18.691 272 QB ASP 27 QB ASP 27 -5.711 -17.144 -18.510 273 H GLU 28 H GLU 28 -3.361 -16.920 -16.050 274 HA GLU 28 HA GLU 28 -2.003 -19.185 -17.061 275 1HB GLU 28 2HB GLU 28 -0.029 -18.292 -16.084 276 2HB GLU 28 1HB GLU 28 -0.949 -17.445 -14.845 277 1HG GLU 28 1HG GLU 28 -1.194 -16.804 -17.796 278 2HG GLU 28 2HG GLU 28 -1.760 -15.837 -16.435 279 QB GLU 28 QB GLU 28 -0.489 -17.869 -15.465 280 QG GLU 28 QG GLU 28 -1.477 -16.321 -17.116 281 H ILE 29 H ILE 29 -3.252 -20.809 -16.257 282 HA ILE 29 HA ILE 29 -3.436 -22.658 -14.686 283 HB ILE 29 HB ILE 29 -2.917 -20.517 -12.572 284 1HG1 ILE 29 1HG1 ILE 29 -0.862 -20.830 -13.859 285 2HG1 ILE 29 2HG1 ILE 29 -0.684 -21.718 -12.347 286 1HG2 ILE 29 1HG2 ILE 29 -3.311 -23.527 -12.572 287 2HG2 ILE 29 2HG2 ILE 29 -2.421 -22.742 -11.270 288 3HG2 ILE 29 3HG2 ILE 29 -4.104 -22.311 -11.573 289 1HD1 ILE 29 1HD1 ILE 29 -1.598 -22.964 -14.952 290 2HD1 ILE 29 2HD1 ILE 29 0.058 -23.024 -14.351 291 3HD1 ILE 29 3HD1 ILE 29 -1.236 -23.809 -13.448 292 MG ILE 29 MG ILE 29 -3.279 -22.860 -11.805 293 MD ILE 29 MD ILE 29 -0.925 -23.265 -14.250 294 QG ILE 29 QG ILE 29 -0.773 -21.274 -13.103 295 H ASN 30 H ASN 30 -5.570 -21.346 -15.896 296 HA ASN 30 HA ASN 30 -7.594 -20.223 -15.592 297 1HB ASN 30 1HB ASN 30 -9.114 -21.687 -14.273 298 2HB ASN 30 2HB ASN 30 -8.217 -22.491 -15.560 299 2HD2 ASN 30 1HD2 ASN 30 -7.600 -24.536 -14.815 300 1HD2 ASN 30 2HD2 ASN 30 -6.969 -24.860 -13.273 301 QB ASN 30 QB ASN 30 -8.666 -22.089 -14.917 302 QD ASN 30 QD ASN 30 -7.285 -24.698 -14.044 303 H LYS 31 H LYS 31 -5.616 -19.093 -14.032 304 HA LYS 31 HA LYS 31 -6.052 -17.150 -12.580 305 1HB LYS 31 1HB LYS 31 -7.824 -19.025 -11.020 306 2HB LYS 31 2HB LYS 31 -7.477 -17.352 -10.597 307 1HG LYS 31 1HG LYS 31 -8.329 -17.518 -13.358 308 2HG LYS 31 2HG LYS 31 -9.526 -18.268 -12.304 309 1HD LYS 31 1HD LYS 31 -9.555 -16.242 -10.891 310 2HD LYS 31 2HD LYS 31 -8.365 -15.491 -11.954 311 1HE LYS 31 2HE LYS 31 -10.326 -16.343 -13.717 312 2HE LYS 31 1HE LYS 31 -10.128 -14.694 -13.125 313 1HZ LYS 31 1HZ LYS 31 -11.729 -16.773 -11.738 314 2HZ LYS 31 2HZ LYS 31 -11.645 -15.118 -11.358 315 3HZ LYS 31 3HZ LYS 31 -12.386 -15.625 -12.800 316 QB LYS 31 QB LYS 31 -7.651 -18.189 -10.808 317 QD LYS 31 QD LYS 31 -8.960 -15.867 -11.422 318 QG LYS 31 QG LYS 31 -8.927 -17.893 -12.831 319 QE LYS 31 QE LYS 31 -10.227 -15.519 -13.421 320 QZ LYS 31 QZ LYS 31 -11.920 -15.839 -11.965 321 H ARG 32 H ARG 32 -3.702 -18.573 -12.616 322 HA ARG 32 HA ARG 32 -2.904 -18.304 -9.852 323 1HB ARG 32 1HB ARG 32 -3.869 -20.808 -10.506 324 2HB ARG 32 2HB ARG 32 -2.136 -20.985 -10.769 325 1HG ARG 32 1HG ARG 32 -1.782 -19.936 -8.492 326 2HG ARG 32 2HG ARG 32 -3.521 -20.075 -8.241 327 1HD ARG 32 1HD ARG 32 -3.391 -22.508 -8.584 328 2HD ARG 32 2HD ARG 32 -1.655 -22.383 -8.863 329 HE ARG 32 HE ARG 32 -1.626 -22.692 -6.507 330 1HH1 ARG 32 1HH1 ARG 32 -4.675 -22.046 -6.369 331 2HH1 ARG 32 2HH1 ARG 32 -4.646 -20.709 -5.267 332 1HH2 ARG 32 1HH2 ARG 32 -1.228 -20.199 -5.566 333 2HH2 ARG 32 2HH2 ARG 32 -2.693 -19.664 -4.812 334 QB ARG 32 QB ARG 32 -3.003 -20.896 -10.638 335 QG ARG 32 QG ARG 32 -2.652 -20.005 -8.366 336 QD ARG 32 QD ARG 32 -2.523 -22.445 -8.723 337 QH1 ARG 32 QH1 ARG 32 -4.660 -21.378 -5.818 338 QH2 ARG 32 QH2 ARG 32 -1.961 -19.931 -5.189 339 H GLY 33 H GLY 33 -0.596 -20.139 -10.459 340 1HA GLY 33 1HA GLY 33 1.618 -19.690 -11.159 341 2HA GLY 33 2HA GLY 33 0.843 -19.667 -12.743 342 QA GLY 33 QA GLY 33 1.230 -19.679 -11.951 343 H ARG 34 H ARG 34 1.604 -17.571 -9.959 344 HA ARG 34 HA ARG 34 0.921 -15.102 -11.201 345 1HB ARG 34 1HB ARG 34 2.481 -14.080 -9.551 346 2HB ARG 34 2HB ARG 34 1.389 -15.246 -8.803 347 1HG ARG 34 2HG ARG 34 3.337 -16.949 -9.334 348 2HG ARG 34 1HG ARG 34 3.427 -15.917 -7.906 349 1HD ARG 34 1HD ARG 34 4.860 -15.618 -10.542 350 2HD ARG 34 2HD ARG 34 4.635 -14.232 -9.475 351 HE ARG 34 HE ARG 34 6.442 -15.106 -8.258 352 1HH1 ARG 34 1HH1 ARG 34 4.508 -17.320 -7.316 353 2HH1 ARG 34 2HH1 ARG 34 5.456 -18.730 -7.651 354 1HH2 ARG 34 1HH2 ARG 34 7.703 -17.059 -9.697 355 2HH2 ARG 34 2HH2 ARG 34 7.265 -18.582 -8.997 356 QB ARG 34 QB ARG 34 1.935 -14.663 -9.177 357 QG ARG 34 QG ARG 34 3.382 -16.433 -8.620 358 QD ARG 34 QD ARG 34 4.748 -14.925 -10.009 359 QH1 ARG 34 QH1 ARG 34 4.982 -18.025 -7.484 360 QH2 ARG 34 QH2 ARG 34 7.484 -17.821 -9.347 No H/Q in entry = 360 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -20.667 4.636 3.038 2 H2 MET 1 H2 MET 1 -21.264 3.509 1.921 3 H3 MET 1 H3 MET 1 -22.217 4.839 2.377 4 HA MET 1 HA MET 1 -23.064 3.751 4.089 5 1HB MET 1 2HB MET 1 -22.747 1.327 4.165 6 2HB MET 1 1HB MET 1 -21.294 1.462 3.173 7 1HG MET 1 1HG MET 1 -23.859 2.628 2.145 8 2HG MET 1 2HG MET 1 -22.498 1.960 1.246 9 1HE MET 1 1HE MET 1 -24.576 1.463 0.060 10 2HE MET 1 2HE MET 1 -24.914 -0.256 -0.119 11 3HE MET 1 3HE MET 1 -25.987 0.763 0.848 12 QB MET 1 QB MET 1 -22.021 1.394 3.669 13 QG MET 1 QG MET 1 -23.179 2.294 1.695 14 ME MET 1 ME MET 1 -25.159 0.657 0.263 15 H SER 2 H SER 2 -19.893 2.117 4.226 16 HA SER 2 HA SER 2 -19.645 2.349 7.042 17 1HB SER 2 1HB SER 2 -17.769 1.778 4.793 18 2HB SER 2 2HB SER 2 -17.058 2.231 6.340 19 HG SER 2 HG SER 2 -19.062 0.245 6.046 20 QB SER 2 QB SER 2 -17.414 2.004 5.567 21 H TRP 3 H TRP 3 -18.483 3.850 8.339 22 HA TRP 3 HA TRP 3 -18.223 6.536 7.089 23 1HB TRP 3 1HB TRP 3 -19.231 5.608 9.581 24 2HB TRP 3 2HB TRP 3 -17.787 6.557 9.931 25 HD1 TRP 3 HD1 TRP 3 -21.092 7.295 10.155 26 HE1 TRP 3 HE1 TRP 3 -21.768 9.613 9.250 27 HE3 TRP 3 HE3 TRP 3 -17.036 8.314 7.227 28 HZ2 TRP 3 HZ2 TRP 3 -20.726 11.633 7.513 29 HZ3 TRP 3 HZ3 TRP 3 -16.902 10.439 5.959 30 HH2 TRP 3 HH2 TRP 3 -18.740 12.098 6.097 31 QB TRP 3 QB TRP 3 -18.509 6.082 9.756 32 H ALA 4 H ALA 4 -16.412 7.525 9.155 33 HA ALA 4 HA ALA 4 -14.096 7.621 9.614 34 1HB ALA 4 2HB ALA 4 -13.376 5.014 8.521 35 2HB ALA 4 1HB ALA 4 -14.723 4.909 9.655 36 3HB ALA 4 3HB ALA 4 -13.195 5.628 10.165 37 MB ALA 4 MB ALA 4 -13.764 5.184 9.447 38 H LEU 5 H LEU 5 -15.126 8.563 7.065 39 HA LEU 5 HA LEU 5 -13.674 7.602 4.829 40 1HB LEU 5 1HB LEU 5 -15.566 9.398 4.974 41 2HB LEU 5 2HB LEU 5 -14.238 10.536 5.209 42 HG LEU 5 HG LEU 5 -14.006 8.573 2.970 43 1HD1 LEU 5 1HD1 LEU 5 -16.328 9.444 2.797 44 2HD1 LEU 5 2HD1 LEU 5 -15.695 11.090 2.833 45 3HD1 LEU 5 3HD1 LEU 5 -15.307 10.025 1.482 46 1HD2 LEU 5 1HD2 LEU 5 -12.343 10.443 3.789 47 2HD2 LEU 5 2HD2 LEU 5 -12.599 10.204 2.060 48 3HD2 LEU 5 3HD2 LEU 5 -13.419 11.520 2.899 49 MD1 LEU 5 MD1 LEU 5 -15.777 10.186 2.371 50 MD2 LEU 5 MD2 LEU 5 -12.787 10.722 2.916 51 QB LEU 5 QB LEU 5 -14.902 9.967 5.091 52 QD LEU 5 QD LEU 5 -14.282 10.454 2.643 53 H GLU 6 H GLU 6 -12.715 9.742 7.456 54 HA GLU 6 HA GLU 6 -10.372 10.868 6.354 55 1HB GLU 6 1HB GLU 6 -10.947 9.962 9.190 56 2HB GLU 6 2HB GLU 6 -9.546 10.930 8.732 57 1HG GLU 6 1HG GLU 6 -11.235 12.555 7.664 58 2HG GLU 6 2HG GLU 6 -12.466 11.686 8.581 59 QB GLU 6 QB GLU 6 -10.247 10.446 8.961 60 QG GLU 6 QG GLU 6 -11.850 12.121 8.122 61 H MET 7 H MET 7 -10.731 7.787 8.131 62 HA MET 7 HA MET 7 -7.968 7.012 7.648 63 1HB MET 7 1HB MET 7 -10.121 6.093 9.251 64 2HB MET 7 2HB MET 7 -9.696 4.761 8.175 65 1HG MET 7 1HG MET 7 -7.482 6.265 9.513 66 2HG MET 7 2HG MET 7 -8.411 5.114 10.473 67 1HE MET 7 1HE MET 7 -8.237 3.130 10.693 68 2HE MET 7 2HE MET 7 -8.609 2.169 9.264 69 3HE MET 7 3HE MET 7 -7.031 2.019 10.049 70 QB MET 7 QB MET 7 -9.909 5.427 8.713 71 QG MET 7 QG MET 7 -7.947 5.689 9.993 72 ME MET 7 ME MET 7 -7.959 2.439 10.002 73 H ALA 8 H ALA 8 -11.059 6.545 6.074 74 HA ALA 8 HA ALA 8 -10.436 4.398 4.343 75 1HB ALA 8 1HB ALA 8 -12.613 6.008 4.704 76 2HB ALA 8 2HB ALA 8 -12.021 6.590 3.148 77 3HB ALA 8 3HB ALA 8 -12.430 4.887 3.355 78 MB ALA 8 MB ALA 8 -12.355 5.828 3.736 79 H ASP 9 H ASP 9 -9.557 7.816 4.156 80 HA ASP 9 HA ASP 9 -8.757 7.995 1.466 81 1HB ASP 9 1HB ASP 9 -8.623 9.690 3.549 82 2HB ASP 9 2HB ASP 9 -6.934 9.182 3.503 83 QB ASP 9 QB ASP 9 -7.779 9.436 3.526 84 H THR 10 H THR 10 -6.635 7.134 4.225 85 HA THR 10 HA THR 10 -4.366 6.394 2.760 86 HB THR 10 HB THR 10 -4.869 4.499 4.917 87 HG1 THR 10 HG1 THR 10 -5.149 7.269 5.452 88 1HG2 THR 10 1HG2 THR 10 -2.742 5.862 3.813 89 2HG2 THR 10 2HG2 THR 10 -2.979 6.705 5.343 90 3HG2 THR 10 3HG2 THR 10 -2.693 4.964 5.330 91 MG THR 10 MG THR 10 -2.805 5.844 4.829 92 H PHE 11 H PHE 11 -7.278 4.486 3.461 93 HA PHE 11 HA PHE 11 -6.413 2.014 2.365 94 1HB PHE 11 1HB PHE 11 -8.621 2.608 3.613 95 2HB PHE 11 2HB PHE 11 -9.228 3.035 2.011 96 HD1 PHE 11 HD1 PHE 11 -7.191 0.279 3.561 97 HD2 PHE 11 HD2 PHE 11 -10.368 1.360 0.881 98 HE1 PHE 11 HE1 PHE 11 -7.591 -2.119 3.066 99 HE2 PHE 11 HE2 PHE 11 -10.768 -1.037 0.386 100 HZ PHE 11 HZ PHE 11 -9.379 -2.777 1.479 101 QB PHE 11 QB PHE 11 -8.925 2.821 2.812 102 QD PHE 11 QD PHE 11 -8.780 0.819 2.221 103 QE PHE 11 QE PHE 11 -9.179 -1.578 1.726 104 QR PHE 11 QR PHE 11 -9.059 -0.859 1.875 105 H LEU 12 H LEU 12 -7.906 4.844 0.813 106 HA LEU 12 HA LEU 12 -8.108 3.752 -1.810 107 1HB LEU 12 1HB LEU 12 -8.135 6.443 -0.584 108 2HB LEU 12 2HB LEU 12 -7.591 6.406 -2.261 109 HG LEU 12 HG LEU 12 -10.104 6.684 -1.922 110 1HD1 LEU 12 1HD1 LEU 12 -8.656 5.386 -3.868 111 2HD1 LEU 12 2HD1 LEU 12 -9.852 4.166 -3.428 112 3HD1 LEU 12 3HD1 LEU 12 -10.376 5.758 -3.977 113 1HD2 LEU 12 1HD2 LEU 12 -9.707 4.487 -0.222 114 2HD2 LEU 12 2HD2 LEU 12 -11.261 5.148 -0.734 115 3HD2 LEU 12 3HD2 LEU 12 -10.530 3.818 -1.631 116 MD1 LEU 12 MD1 LEU 12 -9.628 5.103 -3.758 117 MD2 LEU 12 MD2 LEU 12 -10.499 4.484 -0.862 118 QB LEU 12 QB LEU 12 -7.863 6.425 -1.423 119 QD LEU 12 QD LEU 12 -10.064 4.794 -2.310 120 H ASP 13 H ASP 13 -5.449 5.258 -0.042 121 HA ASP 13 HA ASP 13 -3.644 5.515 -2.256 122 1HB ASP 13 1HB ASP 13 -3.573 5.968 0.547 123 2HB ASP 13 2HB ASP 13 -2.226 4.894 0.169 124 QB ASP 13 QB ASP 13 -2.900 5.431 0.358 125 H ASN 14 H ASN 14 -4.372 2.830 -0.055 126 HA ASN 14 HA ASN 14 -2.274 1.154 -1.263 127 1HB ASN 14 1HB ASN 14 -2.754 0.968 1.153 128 2HB ASN 14 2HB ASN 14 -4.413 0.494 0.786 129 2HD2 ASN 14 1HD2 ASN 14 -4.452 -1.708 1.361 130 1HD2 ASN 14 2HD2 ASN 14 -3.369 -2.870 0.763 131 QB ASN 14 QB ASN 14 -3.584 0.731 0.969 132 QD ASN 14 QD ASN 14 -3.911 -2.289 1.062 133 H MET 15 H MET 15 -5.069 2.174 -2.454 134 HA MET 15 HA MET 15 -6.120 -0.449 -3.337 135 1HB MET 15 1HB MET 15 -7.104 2.367 -3.351 136 2HB MET 15 2HB MET 15 -7.673 1.311 -4.644 137 1HG MET 15 1HG MET 15 -8.213 -0.390 -2.796 138 2HG MET 15 2HG MET 15 -7.994 0.943 -1.663 139 1HE MET 15 1HE MET 15 -9.234 -0.138 -4.851 140 2HE MET 15 2HE MET 15 -10.971 -0.244 -4.582 141 3HE MET 15 3HE MET 15 -10.283 1.164 -5.404 142 QB MET 15 QB MET 15 -7.389 1.839 -3.998 143 QG MET 15 QG MET 15 -8.104 0.277 -2.230 144 ME MET 15 ME MET 15 -10.163 0.261 -4.946 145 H ARG 16 H ARG 16 -3.717 -0.384 -4.325 146 HA ARG 16 HA ARG 16 -3.641 0.971 -6.939 147 1HB ARG 16 1HB ARG 16 -1.674 -0.648 -5.327 148 2HB ARG 16 2HB ARG 16 -1.382 -0.327 -7.038 149 1HG ARG 16 1HG ARG 16 -1.274 2.004 -6.709 150 2HG ARG 16 2HG ARG 16 -2.091 1.913 -5.148 151 1HD ARG 16 1HD ARG 16 0.656 0.758 -5.708 152 2HD ARG 16 2HD ARG 16 0.370 2.319 -4.940 153 HE ARG 16 HE ARG 16 -1.099 0.420 -3.462 154 1HH1 ARG 16 1HH1 ARG 16 2.025 -0.014 -4.625 155 2HH1 ARG 16 2HH1 ARG 16 2.767 -0.198 -3.070 156 1HH2 ARG 16 1HH2 ARG 16 -0.095 0.663 -1.310 157 2HH2 ARG 16 2HH2 ARG 16 1.566 0.188 -1.194 158 QB ARG 16 QB ARG 16 -1.528 -0.487 -6.182 159 QG ARG 16 QG ARG 16 -1.682 1.959 -5.928 160 QD ARG 16 QD ARG 16 0.513 1.538 -5.324 161 QH1 ARG 16 QH1 ARG 16 2.396 -0.106 -3.847 162 QH2 ARG 16 QH2 ARG 16 0.735 0.426 -1.252 163 H VAL 17 H VAL 17 -5.658 -0.449 -7.364 164 HA VAL 17 HA VAL 17 -6.326 -1.923 -9.126 165 HB VAL 17 HB VAL 17 -3.700 -2.305 -9.437 166 1HG1 VAL 17 1HG1 VAL 17 -3.882 -3.953 -7.385 167 2HG1 VAL 17 2HG1 VAL 17 -4.507 -5.075 -8.594 168 3HG1 VAL 17 3HG1 VAL 17 -2.890 -4.393 -8.776 169 1HG2 VAL 17 1HG2 VAL 17 -5.484 -2.717 -11.104 170 2HG2 VAL 17 2HG2 VAL 17 -4.267 -3.994 -11.129 171 3HG2 VAL 17 3HG2 VAL 17 -5.821 -4.273 -10.345 172 MG1 VAL 17 MG1 VAL 17 -3.760 -4.474 -8.252 173 MG2 VAL 17 MG2 VAL 17 -5.191 -3.662 -10.859 174 QG VAL 17 QG VAL 17 -4.475 -4.068 -9.556 175 H GLY 18 H GLY 18 -5.783 -2.391 -5.867 176 1HA GLY 18 1HA GLY 18 -6.439 -5.053 -5.337 177 2HA GLY 18 2HA GLY 18 -6.987 -3.711 -4.330 178 QA GLY 18 QA GLY 18 -6.713 -4.382 -4.834 179 1HB PRO 19 1HB PRO 19 -11.085 -7.858 -6.084 180 2HB PRO 19 2HB PRO 19 -9.969 -7.660 -7.447 181 1HG PRO 19 2HG PRO 19 -8.431 -8.674 -6.054 182 2HG PRO 19 1HG PRO 19 -9.355 -8.281 -4.595 183 1HD PRO 19 1HD PRO 19 -7.852 -6.575 -4.246 184 2HD PRO 19 2HD PRO 19 -7.156 -6.778 -5.867 185 QB PRO 19 QB PRO 19 -10.527 -7.759 -6.766 186 QG PRO 19 QG PRO 19 -8.893 -8.477 -5.325 187 QD PRO 19 QD PRO 19 -7.504 -6.677 -5.056 188 H ARG 20 H ARG 20 -11.312 -3.625 -5.824 189 HA ARG 20 HA ARG 20 -12.895 -4.635 -3.494 190 1HB ARG 20 2HB ARG 20 -12.849 -2.337 -2.632 191 2HB ARG 20 1HB ARG 20 -11.972 -1.799 -4.065 192 1HG ARG 20 1HG ARG 20 -10.184 -3.516 -3.444 193 2HG ARG 20 2HG ARG 20 -10.319 -2.128 -2.364 194 1HD ARG 20 1HD ARG 20 -11.177 -3.377 -0.639 195 2HD ARG 20 2HD ARG 20 -12.020 -4.483 -1.723 196 HE ARG 20 HE ARG 20 -9.051 -4.618 -1.399 197 1HH1 ARG 20 1HH1 ARG 20 -8.938 -6.735 -2.749 198 2HH1 ARG 20 2HH1 ARG 20 -9.811 -8.038 -2.014 199 1HH2 ARG 20 1HH2 ARG 20 -11.601 -5.980 0.126 200 2HH2 ARG 20 2HH2 ARG 20 -11.318 -7.610 -0.387 201 QB ARG 20 QB ARG 20 -12.410 -2.068 -3.348 202 QG ARG 20 QG ARG 20 -10.251 -2.822 -2.904 203 QD ARG 20 QD ARG 20 -11.598 -3.930 -1.181 204 QH1 ARG 20 QH1 ARG 20 -9.375 -7.386 -2.382 205 QH2 ARG 20 QH2 ARG 20 -11.459 -6.795 -0.131 206 H THR 21 H THR 21 -14.331 -1.911 -3.667 207 HA THR 21 HA THR 21 -15.693 -1.797 -6.184 208 HB THR 21 HB THR 21 -17.803 -2.735 -4.487 209 HG1 THR 21 HG1 THR 21 -17.080 -4.814 -4.111 210 1HG2 THR 21 1HG2 THR 21 -16.497 -3.627 -7.053 211 2HG2 THR 21 2HG2 THR 21 -17.840 -4.526 -6.350 212 3HG2 THR 21 3HG2 THR 21 -18.061 -2.845 -6.833 213 MG THR 21 MG THR 21 -17.466 -3.666 -6.745 214 H TYR 22 H TYR 22 -18.104 -0.783 -5.580 215 HA TYR 22 HA TYR 22 -19.200 1.101 -4.719 216 1HB TYR 22 1HB TYR 22 -17.408 0.372 -2.398 217 2HB TYR 22 2HB TYR 22 -18.472 1.775 -2.339 218 HD1 TYR 22 HD1 TYR 22 -19.655 -0.942 -4.406 219 HD2 TYR 22 HD2 TYR 22 -19.566 0.555 -0.380 220 HE1 TYR 22 HE1 TYR 22 -21.562 -2.411 -3.819 221 HE2 TYR 22 HE2 TYR 22 -21.473 -0.917 0.208 222 HH TYR 22 HH TYR 22 -22.669 -2.747 -0.498 223 QB TYR 22 QB TYR 22 -17.940 1.074 -2.369 224 QD TYR 22 QD TYR 22 -19.610 -0.194 -2.393 225 QE TYR 22 QE TYR 22 -21.518 -1.664 -1.805 226 QR TYR 22 QR TYR 22 -20.564 -0.929 -2.099 227 H ALA 23 H ALA 23 -16.219 1.118 -5.906 228 HA ALA 23 HA ALA 23 -15.167 3.632 -4.969 229 1HB ALA 23 1HB ALA 23 -14.484 1.643 -7.013 230 2HB ALA 23 3HB ALA 23 -13.419 2.627 -6.009 231 3HB ALA 23 2HB ALA 23 -14.105 3.299 -7.487 232 MB ALA 23 MB ALA 23 -14.002 2.523 -6.836 233 H ASP 24 H ASP 24 -17.262 2.651 -7.551 234 HA ASP 24 HA ASP 24 -17.395 5.337 -8.726 235 1HB ASP 24 1HB ASP 24 -18.820 2.729 -9.272 236 2HB ASP 24 2HB ASP 24 -19.285 4.227 -10.079 237 QB ASP 24 QB ASP 24 -19.052 3.478 -9.676 238 H VAL 25 H VAL 25 -19.723 3.167 -7.081 239 HA VAL 25 HA VAL 25 -21.883 4.936 -6.879 240 HB VAL 25 HB VAL 25 -21.060 3.187 -4.562 241 1HG1 VAL 25 1HG1 VAL 25 -23.128 4.611 -4.456 242 2HG1 VAL 25 2HG1 VAL 25 -23.749 3.731 -5.852 243 3HG1 VAL 25 3HG1 VAL 25 -23.458 2.883 -4.334 244 1HG2 VAL 25 1HG2 VAL 25 -21.488 2.415 -7.347 245 2HG2 VAL 25 2HG2 VAL 25 -20.905 1.445 -5.995 246 3HG2 VAL 25 3HG2 VAL 25 -22.637 1.634 -6.260 247 MG1 VAL 25 MG1 VAL 25 -23.445 3.741 -4.881 248 MG2 VAL 25 MG2 VAL 25 -21.677 1.831 -6.534 249 QG VAL 25 QG VAL 25 -22.561 2.786 -5.708 250 H ARG 26 H ARG 26 -19.109 4.618 -4.645 251 HA ARG 26 HA ARG 26 -19.988 6.808 -2.962 252 1HB ARG 26 1HB ARG 26 -17.357 5.350 -3.273 253 2HB ARG 26 2HB ARG 26 -17.565 6.686 -2.140 254 1HG ARG 26 1HG ARG 26 -19.767 4.839 -1.879 255 2HG ARG 26 2HG ARG 26 -18.237 3.972 -1.722 256 1HD ARG 26 1HD ARG 26 -19.072 4.879 0.456 257 2HD ARG 26 2HD ARG 26 -17.488 5.511 0.007 258 HE ARG 26 HE ARG 26 -18.733 7.571 -0.809 259 1HH1 ARG 26 1HH1 ARG 26 -21.396 6.039 -0.181 260 2HH1 ARG 26 2HH1 ARG 26 -21.906 6.914 1.224 261 1HH2 ARG 26 1HH2 ARG 26 -18.829 8.431 1.723 262 2HH2 ARG 26 2HH2 ARG 26 -20.452 8.265 2.304 263 QB ARG 26 QB ARG 26 -17.461 6.018 -2.706 264 QG ARG 26 QG ARG 26 -19.002 4.405 -1.801 265 QD ARG 26 QD ARG 26 -18.280 5.195 0.232 266 QH1 ARG 26 QH1 ARG 26 -21.651 6.477 0.522 267 QH2 ARG 26 QH2 ARG 26 -19.641 8.348 2.013 268 H ASP 27 H ASP 27 -17.752 6.538 -5.716 269 HA ASP 27 HA ASP 27 -16.736 9.220 -5.516 270 1HB ASP 27 1HB ASP 27 -16.752 7.078 -7.588 271 2HB ASP 27 2HB ASP 27 -16.468 8.726 -8.146 272 QB ASP 27 QB ASP 27 -16.610 7.902 -7.867 273 H GLU 28 H GLU 28 -19.781 7.982 -6.477 274 HA GLU 28 HA GLU 28 -20.511 10.020 -8.383 275 1HB GLU 28 1HB GLU 28 -21.714 7.716 -7.329 276 2HB GLU 28 2HB GLU 28 -22.748 9.041 -6.793 277 1HG GLU 28 1HG GLU 28 -22.716 9.893 -9.184 278 2HG GLU 28 2HG GLU 28 -21.938 8.375 -9.633 279 QB GLU 28 QB GLU 28 -22.231 8.379 -7.061 280 QG GLU 28 QG GLU 28 -22.327 9.134 -9.408 281 H ILE 29 H ILE 29 -20.565 9.797 -4.864 282 HA ILE 29 HA ILE 29 -22.137 12.201 -4.514 283 HB ILE 29 HB ILE 29 -21.771 10.297 -2.822 284 1HG1 ILE 29 2HG1 ILE 29 -22.055 13.180 -2.448 285 2HG1 ILE 29 1HG1 ILE 29 -21.354 12.396 -1.031 286 1HG2 ILE 29 1HG2 ILE 29 -19.116 11.051 -3.151 287 2HG2 ILE 29 2HG2 ILE 29 -19.556 11.764 -1.598 288 3HG2 ILE 29 3HG2 ILE 29 -19.745 10.030 -1.857 289 1HD1 ILE 29 1HD1 ILE 29 -23.256 10.637 -1.376 290 2HD1 ILE 29 2HD1 ILE 29 -23.663 12.191 -0.645 291 3HD1 ILE 29 3HD1 ILE 29 -24.016 11.897 -2.348 292 MG ILE 29 MG ILE 29 -19.472 10.949 -2.202 293 MD ILE 29 MD ILE 29 -23.645 11.575 -1.456 294 QG ILE 29 QG ILE 29 -21.704 12.788 -1.739 295 H ASN 30 H ASN 30 -19.412 12.153 -6.039 296 HA ASN 30 HA ASN 30 -18.155 14.461 -4.665 297 1HB ASN 30 1HB ASN 30 -16.857 12.317 -5.499 298 2HB ASN 30 2HB ASN 30 -16.968 13.112 -7.070 299 2HD2 ASN 30 1HD2 ASN 30 -15.010 12.889 -4.347 300 1HD2 ASN 30 2HD2 ASN 30 -14.177 14.359 -4.501 301 QB ASN 30 QB ASN 30 -16.912 12.714 -6.285 302 QD ASN 30 QD ASN 30 -14.593 13.624 -4.424 303 H LYS 31 H LYS 31 -18.706 13.424 -8.048 304 HA LYS 31 HA LYS 31 -18.793 16.121 -9.048 305 1HB LYS 31 1HB LYS 31 -18.254 14.261 -10.535 306 2HB LYS 31 2HB LYS 31 -19.816 13.510 -10.212 307 1HG LYS 31 1HG LYS 31 -20.985 15.070 -11.475 308 2HG LYS 31 2HG LYS 31 -19.755 16.317 -11.261 309 1HD LYS 31 1HD LYS 31 -19.104 13.801 -12.775 310 2HD LYS 31 2HD LYS 31 -19.945 15.126 -13.580 311 1HE LYS 31 1HE LYS 31 -17.612 15.959 -11.978 312 2HE LYS 31 2HE LYS 31 -17.220 14.936 -13.361 313 1HZ LYS 31 1HZ LYS 31 -18.858 17.411 -13.451 314 2HZ LYS 31 2HZ LYS 31 -17.249 17.275 -13.967 315 3HZ LYS 31 3HZ LYS 31 -18.475 16.427 -14.781 316 QB LYS 31 QB LYS 31 -19.035 13.885 -10.373 317 QD LYS 31 QD LYS 31 -19.524 14.463 -13.178 318 QG LYS 31 QG LYS 31 -20.370 15.694 -11.368 319 QE LYS 31 QE LYS 31 -17.416 15.448 -12.669 320 QZ LYS 31 QZ LYS 31 -18.194 17.038 -14.066 321 H ARG 32 H ARG 32 -21.120 13.982 -7.585 322 HA ARG 32 HA ARG 32 -23.313 15.884 -8.299 323 1HB ARG 32 1HB ARG 32 -23.198 13.055 -8.288 324 2HB ARG 32 2HB ARG 32 -24.232 13.514 -6.935 325 1HG ARG 32 1HG ARG 32 -25.877 14.257 -8.300 326 2HG ARG 32 2HG ARG 32 -24.737 15.091 -9.356 327 1HD ARG 32 1HD ARG 32 -25.235 13.464 -10.857 328 2HD ARG 32 2HD ARG 32 -24.172 12.450 -9.880 329 HE ARG 32 HE ARG 32 -26.845 12.441 -8.803 330 1HH1 ARG 32 1HH1 ARG 32 -24.713 11.139 -11.178 331 2HH1 ARG 32 2HH1 ARG 32 -25.704 9.756 -11.499 332 1HH2 ARG 32 1HH2 ARG 32 -28.202 10.695 -9.287 333 2HH2 ARG 32 2HH2 ARG 32 -27.677 9.504 -10.430 334 QB ARG 32 QB ARG 32 -23.715 13.284 -7.611 335 QG ARG 32 QG ARG 32 -25.307 14.674 -8.828 336 QD ARG 32 QD ARG 32 -24.703 12.957 -10.369 337 QH1 ARG 32 QH1 ARG 32 -25.208 10.447 -11.339 338 QH2 ARG 32 QH2 ARG 32 -27.939 10.100 -9.858 339 H GLY 33 H GLY 33 -21.458 16.668 -6.324 340 1HA GLY 33 1HA GLY 33 -23.275 16.955 -4.031 341 2HA GLY 33 2HA GLY 33 -21.773 16.099 -3.680 342 QA GLY 33 QA GLY 33 -22.524 16.527 -3.855 343 H ARG 34 H ARG 34 -21.802 18.600 -6.105 344 HA ARG 34 HA ARG 34 -19.795 20.108 -4.628 345 1HB ARG 34 1HB ARG 34 -20.314 19.831 -7.271 346 2HB ARG 34 2HB ARG 34 -21.143 21.358 -6.961 347 1HG ARG 34 1HG ARG 34 -19.152 22.391 -6.153 348 2HG ARG 34 2HG ARG 34 -18.312 20.845 -6.033 349 1HD ARG 34 1HD ARG 34 -17.749 20.849 -8.229 350 2HD ARG 34 2HD ARG 34 -19.339 21.427 -8.727 351 HE ARG 34 HE ARG 34 -18.186 23.653 -7.569 352 1HH1 ARG 34 1HH1 ARG 34 -17.818 21.646 -10.310 353 2HH1 ARG 34 2HH1 ARG 34 -16.618 22.644 -11.062 354 1HH2 ARG 34 1HH2 ARG 34 -16.387 24.839 -8.387 355 2HH2 ARG 34 2HH2 ARG 34 -15.808 24.452 -9.973 356 QB ARG 34 QB ARG 34 -20.728 20.595 -7.116 357 QG ARG 34 QG ARG 34 -18.732 21.618 -6.093 358 QD ARG 34 QD ARG 34 -18.544 21.138 -8.478 359 QH1 ARG 34 QH1 ARG 34 -17.218 22.145 -10.686 360 QH2 ARG 34 QH2 ARG 34 -16.097 24.646 -9.180 No H/Q in entry = 360 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -11.893 13.053 6.300 2 H2 MET 1 H2 MET 1 -10.638 14.183 6.152 3 H3 MET 1 H3 MET 1 -11.352 13.905 7.667 4 HA MET 1 HA MET 1 -12.162 15.973 6.766 5 1HB MET 1 1HB MET 1 -12.616 14.196 4.395 6 2HB MET 1 2HB MET 1 -13.716 15.551 4.659 7 1HG MET 1 1HG MET 1 -11.692 17.048 4.848 8 2HG MET 1 2HG MET 1 -10.705 15.676 4.345 9 1HE MET 1 1HE MET 1 -10.959 14.361 2.637 10 2HE MET 1 2HE MET 1 -11.997 14.489 1.219 11 3HE MET 1 3HE MET 1 -10.433 15.316 1.252 12 QB MET 1 QB MET 1 -13.166 14.874 4.527 13 QG MET 1 QG MET 1 -11.199 16.362 4.597 14 ME MET 1 ME MET 1 -11.130 14.722 1.703 15 H SER 2 H SER 2 -13.158 12.944 7.702 16 HA SER 2 HA SER 2 -15.598 13.988 8.884 17 1HB SER 2 1HB SER 2 -16.076 13.301 6.371 18 2HB SER 2 2HB SER 2 -16.096 11.674 7.044 19 HG SER 2 HG SER 2 -18.117 12.284 7.394 20 QB SER 2 QB SER 2 -16.086 12.488 6.708 21 H TRP 3 H TRP 3 -16.846 11.391 9.169 22 HA TRP 3 HA TRP 3 -15.414 10.397 11.441 23 1HB TRP 3 1HB TRP 3 -17.600 9.134 9.772 24 2HB TRP 3 2HB TRP 3 -17.028 8.491 11.309 25 HD1 TRP 3 HD1 TRP 3 -19.942 9.210 11.308 26 HE1 TRP 3 HE1 TRP 3 -20.891 11.202 12.631 27 HE3 TRP 3 HE3 TRP 3 -15.714 12.072 11.814 28 HZ2 TRP 3 HZ2 TRP 3 -19.999 13.663 13.754 29 HZ3 TRP 3 HZ3 TRP 3 -15.809 14.226 13.018 30 HH2 TRP 3 HH2 TRP 3 -17.943 15.029 13.987 31 QB TRP 3 QB TRP 3 -17.314 8.813 10.540 32 H ALA 4 H ALA 4 -16.310 8.003 9.051 33 HA ALA 4 HA ALA 4 -13.647 6.804 9.293 34 1HB ALA 4 2HB ALA 4 -15.596 5.723 7.331 35 2HB ALA 4 1HB ALA 4 -16.104 5.716 9.019 36 3HB ALA 4 3HB ALA 4 -14.628 4.879 8.539 37 MB ALA 4 MB ALA 4 -15.443 5.439 8.296 38 H LEU 5 H LEU 5 -14.398 9.391 7.620 39 HA LEU 5 HA LEU 5 -13.578 8.584 4.927 40 1HB LEU 5 1HB LEU 5 -14.986 10.716 5.849 41 2HB LEU 5 2HB LEU 5 -13.384 11.439 5.706 42 HG LEU 5 HG LEU 5 -13.654 9.931 3.374 43 1HD1 LEU 5 1HD1 LEU 5 -16.272 11.086 4.273 44 2HD1 LEU 5 2HD1 LEU 5 -15.865 11.123 2.557 45 3HD1 LEU 5 3HD1 LEU 5 -15.953 9.583 3.410 46 1HD2 LEU 5 1HD2 LEU 5 -12.700 12.273 3.820 47 2HD2 LEU 5 2HD2 LEU 5 -13.539 12.049 2.285 48 3HD2 LEU 5 3HD2 LEU 5 -14.350 12.865 3.623 49 MD1 LEU 5 MD1 LEU 5 -16.030 10.597 3.413 50 MD2 LEU 5 MD2 LEU 5 -13.530 12.395 3.242 51 QB LEU 5 QB LEU 5 -14.185 11.078 5.777 52 QD LEU 5 QD LEU 5 -14.780 11.496 3.328 53 H GLU 6 H GLU 6 -12.100 10.498 7.565 54 HA GLU 6 HA GLU 6 -9.598 10.966 6.355 55 1HB GLU 6 2HB GLU 6 -10.303 11.949 8.527 56 2HB GLU 6 1HB GLU 6 -8.713 11.191 8.636 57 1HG GLU 6 1HG GLU 6 -11.009 9.407 9.202 58 2HG GLU 6 2HG GLU 6 -9.457 9.544 10.031 59 QB GLU 6 QB GLU 6 -9.508 11.570 8.581 60 QG GLU 6 QG GLU 6 -10.233 9.475 9.617 61 H MET 7 H MET 7 -10.929 8.038 7.723 62 HA MET 7 HA MET 7 -8.318 6.674 7.735 63 1HB MET 7 1HB MET 7 -9.910 6.058 9.468 64 2HB MET 7 2HB MET 7 -11.136 5.680 8.256 65 1HG MET 7 1HG MET 7 -8.612 4.272 7.789 66 2HG MET 7 2HG MET 7 -9.342 3.869 9.344 67 1HE MET 7 1HE MET 7 -9.215 1.668 8.519 68 2HE MET 7 2HE MET 7 -10.503 0.834 7.653 69 3HE MET 7 3HE MET 7 -9.179 1.568 6.753 70 QB MET 7 QB MET 7 -10.523 5.869 8.862 71 QG MET 7 QG MET 7 -8.977 4.070 8.567 72 ME MET 7 ME MET 7 -9.632 1.357 7.642 73 H ALA 8 H ALA 8 -11.324 6.649 5.830 74 HA ALA 8 HA ALA 8 -10.698 4.504 4.096 75 1HB ALA 8 3HB ALA 8 -12.668 5.120 3.197 76 2HB ALA 8 2HB ALA 8 -11.960 6.626 2.612 77 3HB ALA 8 1HB ALA 8 -12.659 6.550 4.230 78 MB ALA 8 MB ALA 8 -12.429 6.099 3.347 79 H ASP 9 H ASP 9 -9.693 7.909 3.974 80 HA ASP 9 HA ASP 9 -8.551 8.052 1.438 81 1HB ASP 9 1HB ASP 9 -8.098 9.365 4.023 82 2HB ASP 9 2HB ASP 9 -6.662 9.327 3.000 83 QB ASP 9 QB ASP 9 -7.380 9.346 3.512 84 H THR 10 H THR 10 -7.025 6.730 4.390 85 HA THR 10 HA THR 10 -4.547 6.025 3.170 86 HB THR 10 HB THR 10 -4.387 4.355 5.067 87 HG1 THR 10 HG1 THR 10 -6.278 5.008 6.598 88 1HG2 THR 10 1HG2 THR 10 -5.088 7.252 5.501 89 2HG2 THR 10 2HG2 THR 10 -4.648 6.215 6.857 90 3HG2 THR 10 3HG2 THR 10 -3.501 6.484 5.544 91 MG THR 10 MG THR 10 -4.412 6.651 5.967 92 H PHE 11 H PHE 11 -7.627 4.284 3.398 93 HA PHE 11 HA PHE 11 -6.699 1.778 2.394 94 1HB PHE 11 1HB PHE 11 -8.997 2.386 3.427 95 2HB PHE 11 2HB PHE 11 -9.437 2.898 1.798 96 HD1 PHE 11 HD1 PHE 11 -9.159 1.227 -0.118 97 HD2 PHE 11 HD2 PHE 11 -9.009 0.094 4.023 98 HE1 PHE 11 HE1 PHE 11 -9.593 -1.132 -0.748 99 HE2 PHE 11 HE2 PHE 11 -9.444 -2.265 3.391 100 HZ PHE 11 HZ PHE 11 -9.735 -2.878 1.007 101 QB PHE 11 QB PHE 11 -9.217 2.642 2.612 102 QD PHE 11 QD PHE 11 -9.084 0.661 1.952 103 QE PHE 11 QE PHE 11 -9.518 -1.699 1.322 104 QR PHE 11 QR PHE 11 -9.388 -0.991 1.511 105 H LEU 12 H LEU 12 -8.374 4.416 0.631 106 HA LEU 12 HA LEU 12 -8.021 3.328 -1.964 107 1HB LEU 12 1HB LEU 12 -8.946 5.793 -0.817 108 2HB LEU 12 2HB LEU 12 -7.858 6.161 -2.156 109 HG LEU 12 HG LEU 12 -9.221 4.276 -3.394 110 1HD1 LEU 12 1HD1 LEU 12 -10.468 3.877 -1.133 111 2HD1 LEU 12 2HD1 LEU 12 -11.394 5.310 -1.582 112 3HD1 LEU 12 3HD1 LEU 12 -11.407 3.889 -2.627 113 1HD2 LEU 12 1HD2 LEU 12 -9.334 7.088 -3.276 114 2HD2 LEU 12 2HD2 LEU 12 -9.953 6.057 -4.567 115 3HD2 LEU 12 3HD2 LEU 12 -11.014 6.551 -3.248 116 MD1 LEU 12 MD1 LEU 12 -11.090 4.359 -1.781 117 MD2 LEU 12 MD2 LEU 12 -10.100 6.566 -3.697 118 QB LEU 12 QB LEU 12 -8.402 5.977 -1.487 119 QD LEU 12 QD LEU 12 -10.595 5.462 -2.739 120 H ASP 13 H ASP 13 -5.779 4.952 0.143 121 HA ASP 13 HA ASP 13 -3.902 5.950 -1.718 122 1HB ASP 13 1HB ASP 13 -3.855 6.249 0.795 123 2HB ASP 13 2HB ASP 13 -3.206 4.614 0.909 124 QB ASP 13 QB ASP 13 -3.530 5.431 0.852 125 H ASN 14 H ASN 14 -3.662 2.794 -0.019 126 HA ASN 14 HA ASN 14 -1.842 1.862 -2.157 127 1HB ASN 14 1HB ASN 14 -2.504 1.013 0.615 128 2HB ASN 14 2HB ASN 14 -2.041 -0.265 -0.509 129 2HD2 ASN 14 1HD2 ASN 14 -0.110 -0.206 1.195 130 1HD2 ASN 14 2HD2 ASN 14 1.200 0.787 0.770 131 QB ASN 14 QB ASN 14 -2.273 0.374 0.053 132 QD ASN 14 QD ASN 14 0.545 0.290 0.983 133 H MET 15 H MET 15 -4.845 2.248 -2.500 134 HA MET 15 HA MET 15 -5.638 -0.568 -3.076 135 1HB MET 15 1HB MET 15 -7.202 0.977 -1.809 136 2HB MET 15 2HB MET 15 -7.347 1.924 -3.291 137 1HG MET 15 1HG MET 15 -7.826 -0.528 -4.301 138 2HG MET 15 2HG MET 15 -8.418 -0.779 -2.659 139 1HE MET 15 1HE MET 15 -8.274 2.190 -5.200 140 2HE MET 15 2HE MET 15 -8.883 0.783 -6.069 141 3HE MET 15 3HE MET 15 -9.926 2.188 -5.811 142 QB MET 15 QB MET 15 -7.274 1.451 -2.550 143 QG MET 15 QG MET 15 -8.122 -0.653 -3.480 144 ME MET 15 ME MET 15 -9.028 1.720 -5.693 145 H ARG 16 H ARG 16 -3.656 0.957 -4.678 146 HA ARG 16 HA ARG 16 -5.052 1.628 -7.162 147 1HB ARG 16 1HB ARG 16 -2.125 1.465 -6.412 148 2HB ARG 16 2HB ARG 16 -2.679 1.872 -8.037 149 1HG ARG 16 1HG ARG 16 -3.243 3.974 -7.426 150 2HG ARG 16 2HG ARG 16 -4.058 3.411 -5.966 151 1HD ARG 16 1HD ARG 16 -2.171 4.793 -5.308 152 2HD ARG 16 2HD ARG 16 -1.810 3.116 -4.894 153 HE ARG 16 HE ARG 16 0.095 3.480 -6.232 154 1HH1 ARG 16 1HH1 ARG 16 -2.090 5.843 -7.176 155 2HH1 ARG 16 2HH1 ARG 16 -1.591 5.894 -8.834 156 1HH2 ARG 16 1HH2 ARG 16 0.481 3.126 -8.572 157 2HH2 ARG 16 2HH2 ARG 16 -0.136 4.357 -9.624 158 QB ARG 16 QB ARG 16 -2.402 1.669 -7.225 159 QG ARG 16 QG ARG 16 -3.650 3.693 -6.696 160 QD ARG 16 QD ARG 16 -1.991 3.954 -5.101 161 QH1 ARG 16 QH1 ARG 16 -1.840 5.869 -8.005 162 QH2 ARG 16 QH2 ARG 16 0.173 3.742 -9.098 163 H VAL 17 H VAL 17 -3.912 -1.199 -5.694 164 HA VAL 17 HA VAL 17 -3.204 -2.627 -8.132 165 HB VAL 17 HB VAL 17 -3.969 -3.784 -5.438 166 1HG1 VAL 17 1HG1 VAL 17 -3.741 -5.171 -7.681 167 2HG1 VAL 17 2HG1 VAL 17 -2.015 -4.976 -7.378 168 3HG1 VAL 17 3HG1 VAL 17 -3.034 -5.780 -6.185 169 1HG2 VAL 17 1HG2 VAL 17 -1.305 -2.809 -6.513 170 2HG2 VAL 17 2HG2 VAL 17 -2.163 -2.209 -5.094 171 3HG2 VAL 17 3HG2 VAL 17 -1.469 -3.830 -5.084 172 MG1 VAL 17 MG1 VAL 17 -2.930 -5.309 -7.081 173 MG2 VAL 17 MG2 VAL 17 -1.646 -2.949 -5.563 174 QG VAL 17 QG VAL 17 -2.288 -4.129 -6.322 175 H GLY 18 H GLY 18 -6.121 -1.778 -6.582 176 1HA GLY 18 1HA GLY 18 -8.191 -2.067 -7.910 177 2HA GLY 18 2HA GLY 18 -7.591 -3.654 -8.385 178 QA GLY 18 QA GLY 18 -7.891 -2.861 -8.147 179 1HB PRO 19 1HB PRO 19 -12.309 -2.966 -4.447 180 2HB PRO 19 2HB PRO 19 -11.027 -1.860 -3.920 181 1HG PRO 19 2HG PRO 19 -11.552 -0.681 -5.837 182 2HG PRO 19 1HG PRO 19 -12.335 -2.079 -6.590 183 1HD PRO 19 1HD PRO 19 -10.423 -2.349 -7.831 184 2HD PRO 19 2HD PRO 19 -9.554 -1.147 -6.853 185 QB PRO 19 QB PRO 19 -11.668 -2.413 -4.184 186 QG PRO 19 QG PRO 19 -11.944 -1.380 -6.213 187 QD PRO 19 QD PRO 19 -9.989 -1.748 -7.342 188 H ARG 20 H ARG 20 -11.602 -5.260 -3.463 189 HA ARG 20 HA ARG 20 -12.054 -7.178 -5.714 190 1HB ARG 20 1HB ARG 20 -10.932 -7.610 -3.174 191 2HB ARG 20 2HB ARG 20 -12.560 -8.284 -3.079 192 1HG ARG 20 1HG ARG 20 -12.151 -9.577 -5.140 193 2HG ARG 20 2HG ARG 20 -10.522 -8.908 -5.236 194 1HD ARG 20 1HD ARG 20 -10.688 -11.217 -4.178 195 2HD ARG 20 2HD ARG 20 -9.856 -10.001 -3.210 196 HE ARG 20 HE ARG 20 -12.683 -10.106 -2.583 197 1HH1 ARG 20 1HH1 ARG 20 -10.520 -9.702 -0.560 198 2HH1 ARG 20 2HH1 ARG 20 -10.530 -11.207 0.295 199 1HH2 ARG 20 1HH2 ARG 20 -12.315 -12.891 -2.156 200 2HH2 ARG 20 2HH2 ARG 20 -11.546 -13.015 -0.610 201 QB ARG 20 QB ARG 20 -11.746 -7.947 -3.127 202 QG ARG 20 QG ARG 20 -11.336 -9.243 -5.188 203 QD ARG 20 QD ARG 20 -10.272 -10.609 -3.694 204 QH1 ARG 20 QH1 ARG 20 -10.525 -10.455 -0.132 205 QH2 ARG 20 QH2 ARG 20 -11.931 -12.953 -1.383 206 H THR 21 H THR 21 -13.629 -4.757 -4.420 207 HA THR 21 HA THR 21 -16.077 -5.894 -3.419 208 HB THR 21 HB THR 21 -16.253 -3.299 -4.828 209 HG1 THR 21 HG1 THR 21 -14.314 -3.888 -2.889 210 1HG2 THR 21 1HG2 THR 21 -17.681 -4.577 -2.900 211 2HG2 THR 21 2HG2 THR 21 -16.641 -3.555 -1.907 212 3HG2 THR 21 3HG2 THR 21 -17.689 -2.828 -3.124 213 MG THR 21 MG THR 21 -17.337 -3.653 -2.644 214 H TYR 22 H TYR 22 -15.275 -4.490 -6.620 215 HA TYR 22 HA TYR 22 -16.652 -6.514 -8.086 216 1HB TYR 22 1HB TYR 22 -18.479 -4.750 -8.894 217 2HB TYR 22 2HB TYR 22 -18.772 -5.793 -7.506 218 HD1 TYR 22 HD1 TYR 22 -16.372 -2.962 -7.472 219 HD2 TYR 22 HD2 TYR 22 -20.291 -4.320 -6.354 220 HE1 TYR 22 HE1 TYR 22 -16.650 -0.968 -6.028 221 HE2 TYR 22 HE2 TYR 22 -20.569 -2.324 -4.909 222 HH TYR 22 HH TYR 22 -19.335 -0.653 -3.828 223 QB TYR 22 QB TYR 22 -18.626 -5.271 -8.200 224 QD TYR 22 QD TYR 22 -18.331 -3.641 -6.913 225 QE TYR 22 QE TYR 22 -18.609 -1.646 -5.468 226 QR TYR 22 QR TYR 22 -18.470 -2.644 -6.191 227 H ALA 23 H ALA 23 -17.324 -3.308 -9.192 228 HA ALA 23 HA ALA 23 -16.539 -2.448 -11.293 229 1HB ALA 23 1HB ALA 23 -14.669 -2.007 -9.029 230 2HB ALA 23 3HB ALA 23 -15.615 -0.837 -9.950 231 3HB ALA 23 2HB ALA 23 -14.135 -1.507 -10.634 232 MB ALA 23 MB ALA 23 -14.806 -1.450 -9.871 233 H ASP 24 H ASP 24 -13.400 -3.399 -10.201 234 HA ASP 24 HA ASP 24 -12.525 -4.333 -12.737 235 1HB ASP 24 2HB ASP 24 -10.632 -5.339 -11.516 236 2HB ASP 24 1HB ASP 24 -11.498 -5.131 -9.993 237 QB ASP 24 QB ASP 24 -11.065 -5.235 -10.755 238 H VAL 25 H VAL 25 -13.188 -6.366 -9.856 239 HA VAL 25 HA VAL 25 -13.221 -8.841 -11.205 240 HB VAL 25 HB VAL 25 -15.072 -8.161 -8.910 241 1HG1 VAL 25 1HG1 VAL 25 -15.122 -10.434 -10.067 242 2HG1 VAL 25 2HG1 VAL 25 -13.480 -10.673 -9.468 243 3HG1 VAL 25 3HG1 VAL 25 -14.812 -10.470 -8.331 244 1HG2 VAL 25 1HG2 VAL 25 -12.156 -8.028 -9.055 245 2HG2 VAL 25 2HG2 VAL 25 -13.236 -7.503 -7.763 246 3HG2 VAL 25 3HG2 VAL 25 -12.708 -9.184 -7.843 247 MG1 VAL 25 MG1 VAL 25 -14.471 -10.526 -9.288 248 MG2 VAL 25 MG2 VAL 25 -12.700 -8.239 -8.220 249 QG VAL 25 QG VAL 25 -13.585 -9.382 -8.754 250 H ARG 26 H ARG 26 -15.650 -6.320 -11.049 251 HA ARG 26 HA ARG 26 -17.893 -7.867 -11.932 252 1HB ARG 26 1HB ARG 26 -17.626 -5.319 -11.100 253 2HB ARG 26 2HB ARG 26 -17.655 -5.042 -12.843 254 1HG ARG 26 1HG ARG 26 -19.681 -6.963 -12.202 255 2HG ARG 26 2HG ARG 26 -19.862 -5.580 -11.121 256 1HD ARG 26 2HD ARG 26 -19.591 -4.133 -13.249 257 2HD ARG 26 1HD ARG 26 -21.124 -4.975 -13.024 258 HE ARG 26 HE ARG 26 -19.413 -6.687 -14.507 259 1HH1 ARG 26 1HH1 ARG 26 -19.667 -3.438 -15.131 260 2HH1 ARG 26 2HH1 ARG 26 -20.442 -3.595 -16.672 261 1HH2 ARG 26 1HH2 ARG 26 -21.004 -7.001 -16.339 262 2HH2 ARG 26 2HH2 ARG 26 -21.202 -5.611 -17.355 263 QB ARG 26 QB ARG 26 -17.640 -5.180 -11.972 264 QG ARG 26 QG ARG 26 -19.771 -6.271 -11.661 265 QD ARG 26 QD ARG 26 -20.357 -4.554 -13.136 266 QH1 ARG 26 QH1 ARG 26 -20.055 -3.517 -15.902 267 QH2 ARG 26 QH2 ARG 26 -21.103 -6.306 -16.847 268 H ASP 27 H ASP 27 -15.487 -5.946 -13.742 269 HA ASP 27 HA ASP 27 -16.603 -6.602 -16.327 270 1HB ASP 27 2HB ASP 27 -14.503 -5.670 -17.219 271 2HB ASP 27 1HB ASP 27 -13.800 -5.690 -15.601 272 QB ASP 27 QB ASP 27 -14.152 -5.680 -16.410 273 H GLU 28 H GLU 28 -14.462 -8.224 -14.121 274 HA GLU 28 HA GLU 28 -13.172 -9.944 -16.028 275 1HB GLU 28 1HB GLU 28 -12.873 -9.527 -13.348 276 2HB GLU 28 2HB GLU 28 -13.746 -11.060 -13.341 277 1HG GLU 28 1HG GLU 28 -12.045 -11.859 -15.088 278 2HG GLU 28 2HG GLU 28 -11.099 -10.434 -14.656 279 QB GLU 28 QB GLU 28 -13.310 -10.294 -13.345 280 QG GLU 28 QG GLU 28 -11.572 -11.146 -14.872 281 H ILE 29 H ILE 29 -16.278 -10.056 -14.351 282 HA ILE 29 HA ILE 29 -16.833 -12.774 -15.259 283 HB ILE 29 HB ILE 29 -18.883 -10.754 -14.341 284 1HG1 ILE 29 1HG1 ILE 29 -17.401 -12.638 -12.506 285 2HG1 ILE 29 2HG1 ILE 29 -16.786 -11.016 -12.826 286 1HG2 ILE 29 1HG2 ILE 29 -18.678 -13.777 -14.307 287 2HG2 ILE 29 2HG2 ILE 29 -19.915 -12.883 -13.424 288 3HG2 ILE 29 3HG2 ILE 29 -19.849 -12.791 -15.184 289 1HD1 ILE 29 1HD1 ILE 29 -19.657 -11.397 -12.019 290 2HD1 ILE 29 2HD1 ILE 29 -18.392 -11.388 -10.790 291 3HD1 ILE 29 3HD1 ILE 29 -18.629 -9.978 -11.824 292 MG ILE 29 MG ILE 29 -19.481 -13.150 -14.305 293 MD ILE 29 MD ILE 29 -18.893 -10.921 -11.544 294 QG ILE 29 QG ILE 29 -17.093 -11.827 -12.666 295 H ASN 30 H ASN 30 -16.232 -10.509 -17.208 296 HA ASN 30 HA ASN 30 -18.644 -10.763 -18.918 297 1HB ASN 30 1HB ASN 30 -16.385 -8.739 -18.938 298 2HB ASN 30 2HB ASN 30 -17.646 -8.820 -20.169 299 2HD2 ASN 30 1HD2 ASN 30 -17.411 -8.710 -16.561 300 1HD2 ASN 30 2HD2 ASN 30 -18.739 -7.671 -16.365 301 QB ASN 30 QB ASN 30 -17.015 -8.779 -19.553 302 QD ASN 30 QD ASN 30 -18.075 -8.190 -16.463 303 H LYS 31 H LYS 31 -15.112 -10.368 -19.403 304 HA LYS 31 HA LYS 31 -15.225 -12.052 -21.795 305 1HB LYS 31 1HB LYS 31 -13.639 -10.023 -21.277 306 2HB LYS 31 2HB LYS 31 -12.669 -11.234 -20.437 307 1HG LYS 31 1HG LYS 31 -12.951 -12.623 -22.632 308 2HG LYS 31 2HG LYS 31 -13.365 -11.070 -23.361 309 1HD LYS 31 1HD LYS 31 -11.084 -10.563 -21.799 310 2HD LYS 31 2HD LYS 31 -10.758 -12.096 -22.608 311 1HE LYS 31 1HE LYS 31 -10.967 -11.160 -24.748 312 2HE LYS 31 2HE LYS 31 -11.899 -9.784 -24.158 313 1HZ LYS 31 1HZ LYS 31 -9.855 -9.093 -22.935 314 2HZ LYS 31 2HZ LYS 31 -9.004 -10.298 -23.777 315 3HZ LYS 31 3HZ LYS 31 -9.722 -9.019 -24.628 316 QB LYS 31 QB LYS 31 -13.154 -10.629 -20.857 317 QD LYS 31 QD LYS 31 -10.921 -11.330 -22.203 318 QG LYS 31 QG LYS 31 -13.158 -11.847 -22.996 319 QE LYS 31 QE LYS 31 -11.433 -10.472 -24.453 320 QZ LYS 31 QZ LYS 31 -9.527 -9.470 -23.780 321 H ARG 32 H ARG 32 -14.743 -12.550 -18.408 322 HA ARG 32 HA ARG 32 -13.962 -14.410 -17.193 323 1HB ARG 32 1HB ARG 32 -16.128 -15.163 -18.337 324 2HB ARG 32 2HB ARG 32 -15.099 -15.979 -19.515 325 1HG ARG 32 2HG ARG 32 -13.978 -16.776 -17.132 326 2HG ARG 32 1HG ARG 32 -15.141 -17.722 -18.062 327 1HD ARG 32 1HD ARG 32 -15.543 -16.123 -15.574 328 2HD ARG 32 2HD ARG 32 -16.870 -16.158 -16.736 329 HE ARG 32 HE ARG 32 -16.685 -18.706 -16.560 330 1HH1 ARG 32 1HH1 ARG 32 -14.264 -18.405 -14.668 331 2HH1 ARG 32 2HH1 ARG 32 -15.013 -18.743 -13.144 332 1HH2 ARG 32 1HH2 ARG 32 -18.243 -18.350 -14.343 333 2HH2 ARG 32 2HH2 ARG 32 -17.265 -18.711 -12.959 334 QB ARG 32 QB ARG 32 -15.613 -15.571 -18.926 335 QG ARG 32 QG ARG 32 -14.560 -17.249 -17.597 336 QD ARG 32 QD ARG 32 -16.206 -16.141 -16.155 337 QH1 ARG 32 QH1 ARG 32 -14.638 -18.574 -13.906 338 QH2 ARG 32 QH2 ARG 32 -17.754 -18.530 -13.651 339 H GLY 33 H GLY 33 -11.990 -13.275 -18.972 340 1HA GLY 33 1HA GLY 33 -9.870 -13.819 -19.815 341 2HA GLY 33 2HA GLY 33 -10.028 -15.342 -18.939 342 QA GLY 33 QA GLY 33 -9.949 -14.581 -19.377 343 H ARG 34 H ARG 34 -9.674 -14.074 -21.985 344 HA ARG 34 HA ARG 34 -10.401 -16.655 -23.211 345 1HB ARG 34 1HB ARG 34 -12.089 -14.317 -23.422 346 2HB ARG 34 2HB ARG 34 -11.448 -14.747 -25.008 347 1HG ARG 34 1HG ARG 34 -12.372 -16.915 -24.929 348 2HG ARG 34 2HG ARG 34 -12.605 -16.847 -23.182 349 1HD ARG 34 1HD ARG 34 -14.286 -15.018 -23.537 350 2HD ARG 34 2HD ARG 34 -14.124 -15.266 -25.275 351 HE ARG 34 HE ARG 34 -14.710 -17.792 -24.263 352 1HH1 ARG 34 1HH1 ARG 34 -16.411 -15.655 -25.893 353 2HH1 ARG 34 2HH1 ARG 34 -17.900 -15.779 -25.019 354 1HH2 ARG 34 1HH2 ARG 34 -16.504 -17.525 -22.367 355 2HH2 ARG 34 2HH2 ARG 34 -17.953 -16.837 -23.021 356 QB ARG 34 QB ARG 34 -11.768 -14.532 -24.215 357 QG ARG 34 QG ARG 34 -12.488 -16.881 -24.055 358 QD ARG 34 QD ARG 34 -14.205 -15.142 -24.406 359 QH1 ARG 34 QH1 ARG 34 -17.155 -15.717 -25.456 360 QH2 ARG 34 QH2 ARG 34 -17.228 -17.181 -22.694 No H/Q in entry = 360 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -14.224 19.840 1.518 2 H2 MET 1 H2 MET 1 -15.540 18.904 0.984 3 H3 MET 1 H3 MET 1 -15.742 20.564 1.272 4 HA MET 1 HA MET 1 -15.445 20.291 3.606 5 1HB MET 1 1HB MET 1 -17.693 19.797 2.598 6 2HB MET 1 2HB MET 1 -17.256 18.087 2.578 7 1HG MET 1 1HG MET 1 -16.647 18.805 5.166 8 2HG MET 1 2HG MET 1 -18.073 19.788 4.837 9 1HE MET 1 1HE MET 1 -19.667 19.296 5.813 10 2HE MET 1 2HE MET 1 -20.831 18.199 5.059 11 3HE MET 1 3HE MET 1 -20.074 17.769 6.589 12 QB MET 1 QB MET 1 -17.475 18.942 2.588 13 QG MET 1 QG MET 1 -17.360 19.296 5.001 14 ME MET 1 ME MET 1 -20.190 18.421 5.820 15 H SER 2 H SER 2 -15.812 16.904 2.517 16 HA SER 2 HA SER 2 -13.301 15.884 3.097 17 1HB SER 2 1HB SER 2 -13.846 15.061 5.547 18 2HB SER 2 2HB SER 2 -13.145 16.657 5.285 19 HG SER 2 HG SER 2 -15.644 15.928 6.175 20 QB SER 2 QB SER 2 -13.496 15.859 5.416 21 H TRP 3 H TRP 3 -14.361 14.535 1.446 22 HA TRP 3 HA TRP 3 -16.653 12.911 2.004 23 1HB TRP 3 1HB TRP 3 -14.455 11.961 0.183 24 2HB TRP 3 2HB TRP 3 -16.201 11.832 -0.022 25 HD1 TRP 3 HD1 TRP 3 -16.913 14.886 0.547 26 HE1 TRP 3 HE1 TRP 3 -16.345 16.661 -1.233 27 HE3 TRP 3 HE3 TRP 3 -13.311 12.387 -2.077 28 HZ2 TRP 3 HZ2 TRP 3 -14.594 16.980 -3.474 29 HZ3 TRP 3 HZ3 TRP 3 -12.214 13.448 -4.030 30 HH2 TRP 3 HH2 TRP 3 -12.850 15.740 -4.731 31 QB TRP 3 QB TRP 3 -15.328 11.897 0.081 32 H ALA 4 H ALA 4 -15.335 10.324 1.249 33 HA ALA 4 HA ALA 4 -14.556 9.550 4.004 34 1HB ALA 4 2HB ALA 4 -14.695 7.577 1.761 35 2HB ALA 4 1HB ALA 4 -16.204 8.300 2.314 36 3HB ALA 4 3HB ALA 4 -15.194 7.397 3.443 37 MB ALA 4 MB ALA 4 -15.364 7.758 2.506 38 H LEU 5 H LEU 5 -12.764 11.091 2.128 39 HA LEU 5 HA LEU 5 -10.686 9.218 1.316 40 1HB LEU 5 1HB LEU 5 -11.092 12.162 1.246 41 2HB LEU 5 2HB LEU 5 -9.420 11.602 1.276 42 HG LEU 5 HG LEU 5 -11.520 10.611 -0.672 43 1HD1 LEU 5 1HD1 LEU 5 -9.518 12.837 -0.787 44 2HD1 LEU 5 2HD1 LEU 5 -9.823 11.904 -2.252 45 3HD1 LEU 5 3HD1 LEU 5 -11.145 12.763 -1.461 46 1HD2 LEU 5 1HD2 LEU 5 -9.248 9.348 0.138 47 2HD2 LEU 5 2HD2 LEU 5 -9.927 9.184 -1.480 48 3HD2 LEU 5 3HD2 LEU 5 -8.614 10.323 -1.186 49 MD1 LEU 5 MD1 LEU 5 -10.162 12.501 -1.500 50 MD2 LEU 5 MD2 LEU 5 -9.263 9.619 -0.843 51 QB LEU 5 QB LEU 5 -10.256 11.882 1.261 52 QD LEU 5 QD LEU 5 -9.712 11.060 -1.171 53 H GLU 6 H GLU 6 -11.521 10.816 4.246 54 HA GLU 6 HA GLU 6 -8.871 10.964 5.390 55 1HB GLU 6 1HB GLU 6 -10.755 12.267 6.294 56 2HB GLU 6 2HB GLU 6 -11.577 10.774 6.751 57 1HG GLU 6 1HG GLU 6 -8.930 10.652 7.806 58 2HG GLU 6 2HG GLU 6 -9.597 12.231 8.223 59 QB GLU 6 QB GLU 6 -11.166 11.521 6.522 60 QG GLU 6 QG GLU 6 -9.264 11.442 8.014 61 H MET 7 H MET 7 -11.558 8.720 6.175 62 HA MET 7 HA MET 7 -9.745 6.848 7.460 63 1HB MET 7 1HB MET 7 -12.152 7.120 8.094 64 2HB MET 7 2HB MET 7 -12.604 6.421 6.540 65 1HG MET 7 1HG MET 7 -11.070 4.442 7.230 66 2HG MET 7 2HG MET 7 -11.209 5.099 8.860 67 1HE MET 7 1HE MET 7 -12.244 3.166 6.217 68 2HE MET 7 2HE MET 7 -12.801 2.006 7.419 69 3HE MET 7 3HE MET 7 -13.955 2.760 6.311 70 QB MET 7 QB MET 7 -12.378 6.771 7.317 71 QG MET 7 QG MET 7 -11.139 4.770 8.045 72 ME MET 7 ME MET 7 -13.000 2.644 6.649 73 H ALA 8 H ALA 8 -11.456 6.955 4.344 74 HA ALA 8 HA ALA 8 -10.646 4.370 3.437 75 1HB ALA 8 1HB ALA 8 -12.459 5.849 2.449 76 2HB ALA 8 2HB ALA 8 -11.170 6.769 1.673 77 3HB ALA 8 3HB ALA 8 -11.399 5.067 1.275 78 MB ALA 8 MB ALA 8 -11.676 5.895 1.799 79 H ASP 9 H ASP 9 -8.951 7.483 3.350 80 HA ASP 9 HA ASP 9 -7.030 6.665 1.377 81 1HB ASP 9 1HB ASP 9 -7.373 9.025 1.868 82 2HB ASP 9 2HB ASP 9 -6.849 8.789 3.536 83 QB ASP 9 QB ASP 9 -7.111 8.907 2.702 84 H THR 10 H THR 10 -6.961 6.552 4.961 85 HA THR 10 HA THR 10 -4.254 5.468 5.048 86 HB THR 10 HB THR 10 -6.085 4.996 7.341 87 HG1 THR 10 HG1 THR 10 -5.756 7.314 7.827 88 1HG2 THR 10 1HG2 THR 10 -3.263 5.567 6.773 89 2HG2 THR 10 2HG2 THR 10 -3.898 6.466 8.151 90 3HG2 THR 10 3HG2 THR 10 -3.984 4.704 8.132 91 MG THR 10 MG THR 10 -3.715 5.579 7.685 92 H PHE 11 H PHE 11 -5.463 3.899 3.265 93 HA PHE 11 HA PHE 11 -5.080 1.251 4.027 94 1HB PHE 11 1HB PHE 11 -7.301 1.969 5.338 95 2HB PHE 11 2HB PHE 11 -8.045 1.718 3.764 96 HD1 PHE 11 HD1 PHE 11 -5.432 -0.014 5.840 97 HD2 PHE 11 HD2 PHE 11 -9.006 -0.369 3.484 98 HE1 PHE 11 HE1 PHE 11 -5.463 -2.459 6.253 99 HE2 PHE 11 HE2 PHE 11 -9.039 -2.814 3.899 100 HZ PHE 11 HZ PHE 11 -7.267 -3.859 5.284 101 QB PHE 11 QB PHE 11 -7.673 1.844 4.551 102 QD PHE 11 QD PHE 11 -7.219 -0.192 4.662 103 QE PHE 11 QE PHE 11 -7.251 -2.636 5.076 104 QR PHE 11 QR PHE 11 -7.241 -1.903 4.952 105 H LEU 12 H LEU 12 -7.763 2.811 2.309 106 HA LEU 12 HA LEU 12 -7.120 1.510 -0.218 107 1HB LEU 12 1HB LEU 12 -9.262 3.231 0.869 108 2HB LEU 12 2HB LEU 12 -8.917 3.478 -0.844 109 HG LEU 12 HG LEU 12 -9.112 1.008 -1.198 110 1HD1 LEU 12 1HD1 LEU 12 -9.901 1.095 1.726 111 2HD1 LEU 12 2HD1 LEU 12 -10.218 -0.283 0.670 112 3HD1 LEU 12 3HD1 LEU 12 -8.557 0.205 1.012 113 1HD2 LEU 12 1HD2 LEU 12 -11.205 2.889 -0.604 114 2HD2 LEU 12 2HD2 LEU 12 -11.235 1.538 -1.739 115 3HD2 LEU 12 3HD2 LEU 12 -11.705 1.289 -0.057 116 MD1 LEU 12 MD1 LEU 12 -9.559 0.339 1.136 117 MD2 LEU 12 MD2 LEU 12 -11.381 1.905 -0.800 118 QB LEU 12 QB LEU 12 -9.089 3.354 0.012 119 QD LEU 12 QD LEU 12 -10.470 1.122 0.168 120 H ASP 13 H ASP 13 -5.294 3.703 1.193 121 HA ASP 13 HA ASP 13 -5.153 6.087 -0.126 122 1HB ASP 13 1HB ASP 13 -2.531 5.578 -0.130 123 2HB ASP 13 2HB ASP 13 -3.418 5.876 1.365 124 QB ASP 13 QB ASP 13 -2.974 5.727 0.617 125 H ASN 14 H ASN 14 -3.301 3.269 -1.418 126 HA ASN 14 HA ASN 14 -3.439 4.609 -4.073 127 1HB ASN 14 2HB ASN 14 -1.208 3.879 -3.115 128 2HB ASN 14 1HB ASN 14 -1.567 3.259 -4.728 129 2HD2 ASN 14 1HD2 ASN 14 -1.811 0.975 -4.970 130 1HD2 ASN 14 2HD2 ASN 14 -1.619 -0.118 -3.686 131 QB ASN 14 QB ASN 14 -1.388 3.569 -3.922 132 QD ASN 14 QD ASN 14 -1.715 0.428 -4.328 133 H MET 15 H MET 15 -5.635 3.065 -2.808 134 HA MET 15 HA MET 15 -6.165 1.286 -5.113 135 1HB MET 15 1HB MET 15 -5.783 0.429 -2.321 136 2HB MET 15 2HB MET 15 -7.294 -0.131 -3.038 137 1HG MET 15 1HG MET 15 -4.992 -0.375 -4.845 138 2HG MET 15 2HG MET 15 -4.838 -1.344 -3.379 139 1HE MET 15 1HE MET 15 -5.848 -2.956 -2.664 140 2HE MET 15 2HE MET 15 -7.597 -3.137 -2.772 141 3HE MET 15 3HE MET 15 -6.549 -4.213 -3.692 142 QB MET 15 QB MET 15 -6.538 0.149 -2.679 143 QG MET 15 QG MET 15 -4.915 -0.860 -4.112 144 ME MET 15 ME MET 15 -6.665 -3.435 -3.043 145 H ARG 16 H ARG 16 -7.558 3.147 -5.637 146 HA ARG 16 HA ARG 16 -9.533 4.303 -4.075 147 1HB ARG 16 1HB ARG 16 -8.959 4.733 -6.550 148 2HB ARG 16 2HB ARG 16 -10.111 3.443 -6.901 149 1HG ARG 16 1HG ARG 16 -11.145 5.398 -4.979 150 2HG ARG 16 2HG ARG 16 -10.757 6.112 -6.545 151 1HD ARG 16 1HD ARG 16 -12.460 3.633 -6.155 152 2HD ARG 16 2HD ARG 16 -13.095 5.252 -6.449 153 HE ARG 16 HE ARG 16 -11.564 5.036 -8.612 154 1HH1 ARG 16 1HH1 ARG 16 -14.007 3.076 -7.266 155 2HH1 ARG 16 2HH1 ARG 16 -14.050 1.959 -8.590 156 1HH2 ARG 16 1HH2 ARG 16 -11.351 3.388 -10.230 157 2HH2 ARG 16 2HH2 ARG 16 -12.547 2.136 -10.266 158 QB ARG 16 QB ARG 16 -9.535 4.088 -6.726 159 QG ARG 16 QG ARG 16 -10.951 5.755 -5.762 160 QD ARG 16 QD ARG 16 -12.778 4.442 -6.302 161 QH1 ARG 16 QH1 ARG 16 -14.029 2.517 -7.928 162 QH2 ARG 16 QH2 ARG 16 -11.949 2.762 -10.248 163 H VAL 17 H VAL 17 -10.034 1.470 -6.116 164 HA VAL 17 HA VAL 17 -12.626 0.858 -5.051 165 HB VAL 17 HB VAL 17 -11.804 0.071 -7.268 166 1HG1 VAL 17 1HG1 VAL 17 -9.499 -0.523 -6.143 167 2HG1 VAL 17 2HG1 VAL 17 -10.273 -2.075 -5.823 168 3HG1 VAL 17 3HG1 VAL 17 -10.091 -1.506 -7.482 169 1HG2 VAL 17 1HG2 VAL 17 -13.626 -1.099 -5.828 170 2HG2 VAL 17 2HG2 VAL 17 -12.949 -1.995 -7.189 171 3HG2 VAL 17 3HG2 VAL 17 -12.400 -2.337 -5.548 172 MG1 VAL 17 MG1 VAL 17 -9.954 -1.368 -6.483 173 MG2 VAL 17 MG2 VAL 17 -12.992 -1.810 -6.188 174 QG VAL 17 QG VAL 17 -11.473 -1.589 -6.335 175 H GLY 18 H GLY 18 -9.441 0.203 -3.944 176 1HA GLY 18 1HA GLY 18 -8.637 -1.003 -2.093 177 2HA GLY 18 2HA GLY 18 -10.226 -0.708 -1.387 178 QA GLY 18 QA GLY 18 -9.432 -0.855 -1.740 179 1HB PRO 19 1HB PRO 19 -9.076 -6.251 -0.116 180 2HB PRO 19 2HB PRO 19 -7.853 -5.757 -1.300 181 1HG PRO 19 2HG PRO 19 -7.164 -4.296 0.353 182 2HG PRO 19 1HG PRO 19 -8.723 -4.367 1.193 183 1HD PRO 19 1HD PRO 19 -9.194 -2.330 0.233 184 2HD PRO 19 2HD PRO 19 -7.795 -2.449 -0.855 185 QB PRO 19 QB PRO 19 -8.465 -6.004 -0.708 186 QG PRO 19 QG PRO 19 -7.944 -4.331 0.773 187 QD PRO 19 QD PRO 19 -8.495 -2.389 -0.311 188 H ARG 20 H ARG 20 -11.465 -6.623 -2.356 189 HA ARG 20 HA ARG 20 -13.517 -5.769 -0.354 190 1HB ARG 20 1HB ARG 20 -13.816 -7.040 -3.090 191 2HB ARG 20 2HB ARG 20 -15.150 -6.864 -1.948 192 1HG ARG 20 1HG ARG 20 -14.741 -4.408 -1.891 193 2HG ARG 20 2HG ARG 20 -13.481 -4.612 -3.108 194 1HD ARG 20 2HD ARG 20 -15.600 -5.957 -4.241 195 2HD ARG 20 1HD ARG 20 -15.147 -4.294 -4.614 196 HE ARG 20 HE ARG 20 -17.255 -5.045 -2.629 197 1HH1 ARG 20 1HH1 ARG 20 -15.965 -2.288 -2.470 198 2HH1 ARG 20 2HH1 ARG 20 -17.087 -1.340 -3.389 199 1HH2 ARG 20 1HH2 ARG 20 -18.619 -4.085 -4.849 200 2HH2 ARG 20 2HH2 ARG 20 -18.589 -2.357 -4.733 201 QB ARG 20 QB ARG 20 -14.483 -6.952 -2.519 202 QG ARG 20 QG ARG 20 -14.111 -4.510 -2.499 203 QD ARG 20 QD ARG 20 -15.374 -5.125 -4.428 204 QH1 ARG 20 QH1 ARG 20 -16.526 -1.814 -2.930 205 QH2 ARG 20 QH2 ARG 20 -18.604 -3.221 -4.791 206 H THR 21 H THR 21 -11.411 -8.288 -1.276 207 HA THR 21 HA THR 21 -12.982 -10.219 0.387 208 HB THR 21 HB THR 21 -12.003 -12.019 -0.896 209 HG1 THR 21 HG1 THR 21 -10.641 -11.281 -2.743 210 1HG2 THR 21 1HG2 THR 21 -13.008 -9.742 -2.617 211 2HG2 THR 21 2HG2 THR 21 -12.777 -11.383 -3.217 212 3HG2 THR 21 3HG2 THR 21 -13.953 -11.069 -1.941 213 MG THR 21 MG THR 21 -13.246 -10.731 -2.592 214 H TYR 22 H TYR 22 -10.992 -12.084 0.850 215 HA TYR 22 HA TYR 22 -8.542 -10.816 1.766 216 1HB TYR 22 1HB TYR 22 -10.648 -10.415 3.457 217 2HB TYR 22 2HB TYR 22 -9.984 -11.920 4.094 218 HD1 TYR 22 HD1 TYR 22 -8.870 -8.545 2.888 219 HD2 TYR 22 HD2 TYR 22 -8.179 -11.826 5.572 220 HE1 TYR 22 HE1 TYR 22 -7.021 -7.281 3.954 221 HE2 TYR 22 HE2 TYR 22 -6.328 -10.564 6.638 222 HH TYR 22 HH TYR 22 -4.709 -8.378 5.509 223 QB TYR 22 QB TYR 22 -10.316 -11.168 3.775 224 QD TYR 22 QD TYR 22 -8.524 -10.185 4.230 225 QE TYR 22 QE TYR 22 -6.674 -8.922 5.296 226 QR TYR 22 QR TYR 22 -7.599 -9.554 4.763 227 H ALA 23 H ALA 23 -10.653 -13.611 2.621 228 HA ALA 23 HA ALA 23 -8.756 -15.450 3.347 229 1HB ALA 23 1HB ALA 23 -11.298 -15.696 1.821 230 2HB ALA 23 2HB ALA 23 -10.246 -17.110 1.885 231 3HB ALA 23 3HB ALA 23 -10.855 -16.397 3.378 232 MB ALA 23 MB ALA 23 -10.800 -16.401 2.361 233 H ASP 24 H ASP 24 -9.473 -14.485 0.069 234 HA ASP 24 HA ASP 24 -7.553 -16.324 -1.116 235 1HB ASP 24 1HB ASP 24 -9.681 -14.884 -2.098 236 2HB ASP 24 2HB ASP 24 -8.302 -13.972 -2.715 237 QB ASP 24 QB ASP 24 -8.992 -14.428 -2.407 238 H VAL 25 H VAL 25 -7.622 -12.748 -0.780 239 HA VAL 25 HA VAL 25 -5.121 -12.099 -1.767 240 HB VAL 25 HB VAL 25 -6.434 -11.052 0.760 241 1HG1 VAL 25 1HG1 VAL 25 -4.171 -9.896 -0.899 242 2HG1 VAL 25 2HG1 VAL 25 -4.975 -9.076 0.439 243 3HG1 VAL 25 3HG1 VAL 25 -4.029 -10.534 0.739 244 1HG2 VAL 25 1HG2 VAL 25 -7.242 -10.882 -1.886 245 2HG2 VAL 25 2HG2 VAL 25 -7.710 -9.765 -0.604 246 3HG2 VAL 25 3HG2 VAL 25 -6.346 -9.382 -1.653 247 MG1 VAL 25 MG1 VAL 25 -4.391 -9.835 0.093 248 MG2 VAL 25 MG2 VAL 25 -7.099 -10.010 -1.381 249 QG VAL 25 QG VAL 25 -5.745 -9.922 -0.644 250 H ARG 26 H ARG 26 -5.722 -12.965 1.651 251 HA ARG 26 HA ARG 26 -2.960 -13.222 2.337 252 1HB ARG 26 1HB ARG 26 -5.158 -13.128 3.823 253 2HB ARG 26 2HB ARG 26 -5.032 -14.884 3.716 254 1HG ARG 26 2HG ARG 26 -2.495 -14.406 4.322 255 2HG ARG 26 1HG ARG 26 -3.720 -14.498 5.588 256 1HD ARG 26 1HD ARG 26 -2.036 -12.423 5.401 257 2HD ARG 26 2HD ARG 26 -3.273 -11.847 4.284 258 HE ARG 26 HE ARG 26 -4.900 -12.252 6.239 259 1HH1 ARG 26 1HH1 ARG 26 -2.114 -13.073 7.642 260 2HH1 ARG 26 2HH1 ARG 26 -2.022 -11.768 8.777 261 1HH2 ARG 26 1HH2 ARG 26 -4.545 -9.927 7.274 262 2HH2 ARG 26 2HH2 ARG 26 -3.392 -9.988 8.566 263 QB ARG 26 QB ARG 26 -5.095 -14.006 3.770 264 QG ARG 26 QG ARG 26 -3.108 -14.452 4.955 265 QD ARG 26 QD ARG 26 -2.654 -12.135 4.842 266 QH1 ARG 26 QH1 ARG 26 -2.068 -12.421 8.209 267 QH2 ARG 26 QH2 ARG 26 -3.969 -9.957 7.920 268 H ASP 27 H ASP 27 -5.308 -15.521 1.002 269 HA ASP 27 HA ASP 27 -3.796 -17.900 1.420 270 1HB ASP 27 1HB ASP 27 -6.171 -17.834 0.622 271 2HB ASP 27 2HB ASP 27 -5.588 -17.278 -0.947 272 QB ASP 27 QB ASP 27 -5.880 -17.556 -0.162 273 H GLU 28 H GLU 28 -3.397 -15.281 -0.847 274 HA GLU 28 HA GLU 28 -1.832 -16.626 -2.823 275 1HB GLU 28 1HB GLU 28 -2.073 -13.778 -1.894 276 2HB GLU 28 2HB GLU 28 -0.767 -14.211 -2.996 277 1HG GLU 28 1HG GLU 28 -2.259 -14.891 -4.692 278 2HG GLU 28 2HG GLU 28 -3.613 -15.024 -3.570 279 QB GLU 28 QB GLU 28 -1.420 -13.995 -2.445 280 QG GLU 28 QG GLU 28 -2.936 -14.957 -4.131 281 H ILE 29 H ILE 29 -1.041 -15.334 0.355 282 HA ILE 29 HA ILE 29 1.796 -15.457 0.066 283 HB ILE 29 HB ILE 29 0.512 -14.266 1.893 284 1HG1 ILE 29 1HG1 ILE 29 2.718 -16.165 2.762 285 2HG1 ILE 29 2HG1 ILE 29 2.973 -14.609 1.970 286 1HG2 ILE 29 1HG2 ILE 29 -0.553 -16.787 2.298 287 2HG2 ILE 29 2HG2 ILE 29 0.615 -16.644 3.611 288 3HG2 ILE 29 3HG2 ILE 29 -0.664 -15.443 3.433 289 1HD1 ILE 29 1HD1 ILE 29 1.790 -13.489 3.849 290 2HD1 ILE 29 2HD1 ILE 29 1.623 -15.051 4.650 291 3HD1 ILE 29 3HD1 ILE 29 3.225 -14.359 4.393 292 MG ILE 29 MG ILE 29 -0.201 -16.291 3.114 293 MD ILE 29 MD ILE 29 2.213 -14.300 4.297 294 QG ILE 29 QG ILE 29 2.845 -15.387 2.366 295 H ASN 30 H ASN 30 -0.150 -18.011 -0.273 296 HA ASN 30 HA ASN 30 1.454 -19.911 1.295 297 1HB ASN 30 1HB ASN 30 -0.927 -20.359 1.223 298 2HB ASN 30 2HB ASN 30 -0.924 -20.295 -0.540 299 2HD2 ASN 30 1HD2 ASN 30 -0.739 -22.440 2.076 300 1HD2 ASN 30 2HD2 ASN 30 -0.077 -23.773 1.258 301 QB ASN 30 QB ASN 30 -0.926 -20.327 0.341 302 QD ASN 30 QD ASN 30 -0.408 -23.106 1.667 303 H LYS 31 H LYS 31 0.458 -19.692 -2.146 304 HA LYS 31 HA LYS 31 2.754 -21.334 -2.930 305 1HB LYS 31 2HB LYS 31 1.881 -21.132 -5.183 306 2HB LYS 31 1HB LYS 31 0.825 -19.804 -4.699 307 1HG LYS 31 1HG LYS 31 0.644 -22.491 -3.342 308 2HG LYS 31 2HG LYS 31 -0.578 -21.222 -3.446 309 1HD LYS 31 2HD LYS 31 -0.015 -21.855 -6.109 310 2HD LYS 31 1HD LYS 31 -1.443 -22.349 -5.198 311 1HE LYS 31 1HE LYS 31 -0.182 -24.258 -6.268 312 2HE LYS 31 2HE LYS 31 1.168 -23.889 -5.195 313 1HZ LYS 31 1HZ LYS 31 -0.613 -24.044 -3.363 314 2HZ LYS 31 2HZ LYS 31 -1.516 -24.901 -4.519 315 3HZ LYS 31 3HZ LYS 31 0.002 -25.481 -4.029 316 QB LYS 31 QB LYS 31 1.353 -20.468 -4.941 317 QD LYS 31 QD LYS 31 -0.729 -22.102 -5.654 318 QG LYS 31 QG LYS 31 0.033 -21.856 -3.394 319 QE LYS 31 QE LYS 31 0.493 -24.074 -5.732 320 QZ LYS 31 QZ LYS 31 -0.709 -24.809 -3.970 321 H ARG 32 H ARG 32 2.207 -17.971 -2.441 322 HA ARG 32 HA ARG 32 4.320 -17.195 -4.355 323 1HB ARG 32 1HB ARG 32 3.714 -14.952 -3.929 324 2HB ARG 32 2HB ARG 32 2.184 -15.824 -3.861 325 1HG ARG 32 2HG ARG 32 3.227 -15.969 -1.257 326 2HG ARG 32 1HG ARG 32 1.880 -14.970 -1.802 327 1HD ARG 32 1HD ARG 32 4.512 -14.149 -0.955 328 2HD ARG 32 2HD ARG 32 4.245 -13.646 -2.623 329 HE ARG 32 HE ARG 32 1.916 -12.993 -1.130 330 1HH1 ARG 32 1HH1 ARG 32 5.245 -12.365 -0.693 331 2HH1 ARG 32 2HH1 ARG 32 5.044 -10.661 -0.460 332 1HH2 ARG 32 1HH2 ARG 32 1.645 -10.700 -1.142 333 2HH2 ARG 32 2HH2 ARG 32 3.008 -9.718 -0.714 334 QB ARG 32 QB ARG 32 2.949 -15.388 -3.895 335 QG ARG 32 QG ARG 32 2.553 -15.470 -1.530 336 QD ARG 32 QD ARG 32 4.378 -13.897 -1.789 337 QH1 ARG 32 QH1 ARG 32 5.145 -11.513 -0.577 338 QH2 ARG 32 QH2 ARG 32 2.327 -10.209 -0.928 339 H GLY 33 H GLY 33 5.340 -18.929 -2.487 340 1HA GLY 33 1HA GLY 33 6.474 -17.552 -0.198 341 2HA GLY 33 2HA GLY 33 6.955 -19.144 -0.785 342 QA GLY 33 QA GLY 33 6.714 -18.348 -0.492 343 H ARG 34 H ARG 34 8.589 -19.278 -2.416 344 HA ARG 34 HA ARG 34 10.303 -16.849 -2.539 345 1HB ARG 34 1HB ARG 34 12.062 -18.432 -3.320 346 2HB ARG 34 2HB ARG 34 11.401 -18.892 -1.749 347 1HG ARG 34 1HG ARG 34 10.620 -20.849 -2.559 348 2HG ARG 34 2HG ARG 34 9.865 -20.049 -3.939 349 1HD ARG 34 1HD ARG 34 11.685 -21.707 -4.542 350 2HD ARG 34 2HD ARG 34 11.922 -20.082 -5.186 351 HE ARG 34 HE ARG 34 13.288 -20.016 -2.789 352 1HH1 ARG 34 1HH1 ARG 34 13.265 -21.995 -5.618 353 2HH1 ARG 34 2HH1 ARG 34 14.910 -22.502 -5.435 354 1HH2 ARG 34 1HH2 ARG 34 15.420 -20.711 -2.510 355 2HH2 ARG 34 2HH2 ARG 34 16.129 -21.778 -3.676 356 QB ARG 34 QB ARG 34 11.732 -18.662 -2.534 357 QG ARG 34 QG ARG 34 10.242 -20.449 -3.249 358 QD ARG 34 QD ARG 34 11.804 -20.894 -4.864 359 QH1 ARG 34 QH1 ARG 34 14.087 -22.249 -5.526 360 QH2 ARG 34 QH2 ARG 34 15.775 -21.244 -3.093 No H/Q in entry = 360 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -23.558 6.775 2.612 2 H2 MET 1 H2 MET 1 -22.466 5.565 2.146 3 H3 MET 1 H3 MET 1 -23.631 5.241 3.339 4 HA MET 1 HA MET 1 -22.503 6.302 4.968 5 1HB MET 1 1HB MET 1 -20.874 4.827 3.157 6 2HB MET 1 2HB MET 1 -19.927 6.210 3.706 7 1HG MET 1 2HG MET 1 -20.743 5.584 6.076 8 2HG MET 1 1HG MET 1 -19.519 4.549 5.342 9 1HE MET 1 1HE MET 1 -21.870 4.613 7.517 10 2HE MET 1 2HE MET 1 -23.393 4.608 6.616 11 3HE MET 1 3HE MET 1 -22.865 3.160 7.470 12 QB MET 1 QB MET 1 -20.400 5.518 3.431 13 QG MET 1 QG MET 1 -20.131 5.067 5.709 14 ME MET 1 ME MET 1 -22.710 4.127 7.201 15 H SER 2 H SER 2 -20.037 7.748 4.847 16 HA SER 2 HA SER 2 -20.254 10.031 3.088 17 1HB SER 2 1HB SER 2 -21.293 10.291 5.919 18 2HB SER 2 2HB SER 2 -20.787 11.676 4.955 19 HG SER 2 HG SER 2 -22.321 10.950 3.364 20 QB SER 2 QB SER 2 -21.040 10.983 5.437 21 H TRP 3 H TRP 3 -18.649 11.754 3.767 22 HA TRP 3 HA TRP 3 -16.350 12.140 4.215 23 1HB TRP 3 1HB TRP 3 -17.870 11.667 6.663 24 2HB TRP 3 2HB TRP 3 -16.151 11.326 6.866 25 HD1 TRP 3 HD1 TRP 3 -14.610 13.391 5.452 26 HE1 TRP 3 HE1 TRP 3 -14.856 15.926 5.857 27 HE3 TRP 3 HE3 TRP 3 -19.276 13.503 7.519 28 HZ2 TRP 3 HZ2 TRP 3 -16.779 17.757 6.920 29 HZ3 TRP 3 HZ3 TRP 3 -20.290 15.652 8.220 30 HH2 TRP 3 HH2 TRP 3 -19.049 17.778 7.923 31 QB TRP 3 QB TRP 3 -17.011 11.497 6.764 32 H ALA 4 H ALA 4 -15.985 9.985 2.770 33 HA ALA 4 HA ALA 4 -15.129 7.663 4.347 34 1HB ALA 4 1HB ALA 4 -16.211 7.652 1.990 35 2HB ALA 4 2HB ALA 4 -14.602 8.076 1.408 36 3HB ALA 4 3HB ALA 4 -14.855 6.564 2.279 37 MB ALA 4 MB ALA 4 -15.223 7.431 1.892 38 H LEU 5 H LEU 5 -13.671 10.175 4.842 39 HA LEU 5 HA LEU 5 -11.115 10.011 3.470 40 1HB LEU 5 1HB LEU 5 -12.143 11.537 5.863 41 2HB LEU 5 2HB LEU 5 -10.436 11.575 5.421 42 HG LEU 5 HG LEU 5 -12.448 12.063 3.265 43 1HD1 LEU 5 1HD1 LEU 5 -12.677 13.485 5.616 44 2HD1 LEU 5 2HD1 LEU 5 -11.574 14.491 4.678 45 3HD1 LEU 5 3HD1 LEU 5 -13.160 14.079 4.028 46 1HD2 LEU 5 1HD2 LEU 5 -9.951 11.935 2.912 47 2HD2 LEU 5 2HD2 LEU 5 -10.671 13.460 2.393 48 3HD2 LEU 5 3HD2 LEU 5 -9.792 13.373 3.920 49 MD1 LEU 5 MD1 LEU 5 -12.471 14.019 4.774 50 MD2 LEU 5 MD2 LEU 5 -10.138 12.923 3.075 51 QB LEU 5 QB LEU 5 -11.290 11.556 5.642 52 QD LEU 5 QD LEU 5 -11.304 13.471 3.924 53 H GLU 6 H GLU 6 -12.547 8.446 6.202 54 HA GLU 6 HA GLU 6 -10.077 7.767 7.561 55 1HB GLU 6 1HB GLU 6 -12.437 7.741 8.553 56 2HB GLU 6 2HB GLU 6 -12.672 6.217 7.695 57 1HG GLU 6 1HG GLU 6 -10.295 5.702 8.872 58 2HG GLU 6 2HG GLU 6 -10.973 6.818 10.058 59 QB GLU 6 QB GLU 6 -12.554 6.979 8.124 60 QG GLU 6 QG GLU 6 -10.634 6.260 9.465 61 H MET 7 H MET 7 -12.183 6.067 5.237 62 HA MET 7 HA MET 7 -10.415 3.739 5.145 63 1HB MET 7 1HB MET 7 -13.056 4.357 4.293 64 2HB MET 7 2HB MET 7 -12.141 3.920 2.850 65 1HG MET 7 1HG MET 7 -11.587 2.173 5.142 66 2HG MET 7 2HG MET 7 -13.270 2.124 4.618 67 1HE MET 7 1HE MET 7 -11.974 -0.333 4.611 68 2HE MET 7 2HE MET 7 -13.397 -0.309 3.572 69 3HE MET 7 3HE MET 7 -11.907 -1.053 2.997 70 QB MET 7 QB MET 7 -12.599 4.138 3.571 71 QG MET 7 QG MET 7 -12.428 2.148 4.880 72 ME MET 7 ME MET 7 -12.426 -0.565 3.727 73 H ALA 8 H ALA 8 -10.874 6.700 3.382 74 HA ALA 8 HA ALA 8 -9.187 5.991 1.105 75 1HB ALA 8 1HB ALA 8 -11.144 7.675 1.179 76 2HB ALA 8 3HB ALA 8 -9.705 8.117 0.263 77 3HB ALA 8 2HB ALA 8 -9.966 8.790 1.871 78 MB ALA 8 MB ALA 8 -10.272 8.194 1.104 79 H ASP 9 H ASP 9 -8.460 7.475 4.204 80 HA ASP 9 HA ASP 9 -6.506 9.181 3.914 81 1HB ASP 9 1HB ASP 9 -7.243 7.506 5.924 82 2HB ASP 9 2HB ASP 9 -5.602 6.945 5.607 83 QB ASP 9 QB ASP 9 -6.423 7.226 5.766 84 H THR 10 H THR 10 -4.129 7.773 4.815 85 HA THR 10 HA THR 10 -2.291 7.954 2.888 86 HB THR 10 HB THR 10 -2.213 5.380 4.431 87 HG1 THR 10 HG1 THR 10 -1.752 7.933 5.558 88 1HG2 THR 10 1HG2 THR 10 -0.393 6.904 2.948 89 2HG2 THR 10 2HG2 THR 10 0.024 7.222 4.632 90 3HG2 THR 10 3HG2 THR 10 -0.005 5.565 4.028 91 MG THR 10 MG THR 10 -0.125 6.564 3.869 92 H PHE 11 H PHE 11 -3.706 7.540 0.983 93 HA PHE 11 HA PHE 11 -4.517 6.241 -0.775 94 1HB PHE 11 1HB PHE 11 -2.636 4.049 -0.346 95 2HB PHE 11 2HB PHE 11 -2.938 5.018 -1.784 96 HD1 PHE 11 HD1 PHE 11 -2.175 7.573 -1.553 97 HD2 PHE 11 HD2 PHE 11 -0.569 4.302 0.720 98 HE1 PHE 11 HE1 PHE 11 -0.130 8.897 -1.094 99 HE2 PHE 11 HE2 PHE 11 1.477 5.627 1.180 100 HZ PHE 11 HZ PHE 11 1.697 7.925 0.273 101 QB PHE 11 QB PHE 11 -2.787 4.534 -1.065 102 QD PHE 11 QD PHE 11 -1.372 5.938 -0.417 103 QE PHE 11 QE PHE 11 0.674 7.262 0.043 104 QR PHE 11 QR PHE 11 0.060 6.865 -0.095 105 H LEU 12 H LEU 12 -5.168 5.647 2.164 106 HA LEU 12 HA LEU 12 -5.712 2.912 2.493 107 1HB LEU 12 1HB LEU 12 -5.936 5.182 4.004 108 2HB LEU 12 2HB LEU 12 -7.617 4.951 3.570 109 HG LEU 12 HG LEU 12 -5.823 2.867 4.858 110 1HD1 LEU 12 1HD1 LEU 12 -6.959 5.050 6.061 111 2HD1 LEU 12 2HD1 LEU 12 -8.227 3.842 6.262 112 3HD1 LEU 12 3HD1 LEU 12 -6.607 3.532 6.885 113 1HD2 LEU 12 1HD2 LEU 12 -8.102 2.463 3.317 114 2HD2 LEU 12 2HD2 LEU 12 -7.451 1.333 4.502 115 3HD2 LEU 12 3HD2 LEU 12 -8.721 2.465 4.965 116 MD1 LEU 12 MD1 LEU 12 -7.264 4.141 6.403 117 MD2 LEU 12 MD2 LEU 12 -8.091 2.087 4.261 118 QB LEU 12 QB LEU 12 -6.776 5.066 3.787 119 QD LEU 12 QD LEU 12 -7.678 3.114 5.332 120 H ASP 13 H ASP 13 -6.931 5.516 0.573 121 HA ASP 13 HA ASP 13 -9.554 4.647 -0.064 122 1HB ASP 13 1HB ASP 13 -8.446 6.768 -0.859 123 2HB ASP 13 2HB ASP 13 -7.555 5.796 -2.031 124 QB ASP 13 QB ASP 13 -8.000 6.282 -1.445 125 H ASN 14 H ASN 14 -6.637 3.920 -2.046 126 HA ASN 14 HA ASN 14 -8.046 1.415 -2.880 127 1HB ASN 14 1HB ASN 14 -6.077 3.184 -4.341 128 2HB ASN 14 2HB ASN 14 -6.480 1.557 -4.891 129 2HD2 ASN 14 1HD2 ASN 14 -9.021 1.186 -4.986 130 1HD2 ASN 14 2HD2 ASN 14 -9.917 2.464 -5.651 131 QB ASN 14 QB ASN 14 -6.278 2.370 -4.616 132 QD ASN 14 QD ASN 14 -9.469 1.825 -5.319 133 H MET 15 H MET 15 -6.446 1.583 -0.473 134 HA MET 15 HA MET 15 -3.907 0.236 -1.206 135 1HB MET 15 1HB MET 15 -4.792 1.812 1.021 136 2HB MET 15 2HB MET 15 -4.291 0.229 1.612 137 1HG MET 15 1HG MET 15 -2.261 0.639 -0.061 138 2HG MET 15 2HG MET 15 -2.678 2.325 0.226 139 1HE MET 15 1HE MET 15 -0.104 1.451 0.644 140 2HE MET 15 2HE MET 15 0.502 1.295 2.290 141 3HE MET 15 3HE MET 15 -0.102 -0.127 1.443 142 QB MET 15 QB MET 15 -4.541 1.021 1.316 143 QG MET 15 QG MET 15 -2.470 1.482 0.083 144 ME MET 15 ME MET 15 0.098 0.873 1.459 145 H ARG 16 H ARG 16 -5.861 -1.399 -2.034 146 HA ARG 16 HA ARG 16 -6.905 -3.181 -0.035 147 1HB ARG 16 1HB ARG 16 -7.006 -2.930 -2.891 148 2HB ARG 16 2HB ARG 16 -6.586 -4.593 -2.480 149 1HG ARG 16 1HG ARG 16 -8.549 -4.896 -1.195 150 2HG ARG 16 2HG ARG 16 -8.848 -3.161 -1.088 151 1HD ARG 16 2HD ARG 16 -8.772 -3.698 -3.836 152 2HD ARG 16 1HD ARG 16 -10.211 -3.380 -2.870 153 HE ARG 16 HE ARG 16 -10.649 -5.734 -2.807 154 1HH1 ARG 16 1HH1 ARG 16 -8.115 -7.008 -2.344 155 2HH1 ARG 16 2HH1 ARG 16 -7.668 -7.657 -3.887 156 1HH2 ARG 16 1HH2 ARG 16 -9.879 -5.662 -5.663 157 2HH2 ARG 16 2HH2 ARG 16 -8.667 -6.896 -5.764 158 QB ARG 16 QB ARG 16 -6.796 -3.762 -2.686 159 QG ARG 16 QG ARG 16 -8.698 -4.028 -1.141 160 QD ARG 16 QD ARG 16 -9.492 -3.539 -3.353 161 QH1 ARG 16 QH1 ARG 16 -7.892 -7.332 -3.116 162 QH2 ARG 16 QH2 ARG 16 -9.273 -6.279 -5.714 163 H VAL 17 H VAL 17 -3.820 -2.844 -1.483 164 HA VAL 17 HA VAL 17 -3.007 -5.513 -0.401 165 HB VAL 17 HB VAL 17 -2.717 -5.072 -2.897 166 1HG1 VAL 17 1HG1 VAL 17 -0.725 -3.094 -1.764 167 2HG1 VAL 17 2HG1 VAL 17 -0.614 -3.725 -3.406 168 3HG1 VAL 17 3HG1 VAL 17 -2.023 -2.784 -2.916 169 1HG2 VAL 17 1HG2 VAL 17 -0.241 -5.635 -1.234 170 2HG2 VAL 17 2HG2 VAL 17 -1.458 -6.821 -1.703 171 3HG2 VAL 17 3HG2 VAL 17 -0.448 -6.060 -2.932 172 MG1 VAL 17 MG1 VAL 17 -1.121 -3.201 -2.695 173 MG2 VAL 17 MG2 VAL 17 -0.716 -6.172 -1.957 174 QG VAL 17 QG VAL 17 -0.918 -4.686 -2.326 175 H GLY 18 H GLY 18 -3.202 -2.731 0.901 176 1HA GLY 18 1HA GLY 18 -0.373 -2.163 1.499 177 2HA GLY 18 2HA GLY 18 -1.756 -1.237 2.072 178 QA GLY 18 QA GLY 18 -1.065 -1.700 1.785 179 1HB PRO 19 1HB PRO 19 -4.391 -4.620 6.012 180 2HB PRO 19 2HB PRO 19 -4.059 -2.889 6.187 181 1HG PRO 19 2HG PRO 19 -5.479 -2.631 4.391 182 2HG PRO 19 1HG PRO 19 -5.322 -4.329 3.911 183 1HD PRO 19 1HD PRO 19 -3.873 -3.652 2.278 184 2HD PRO 19 2HD PRO 19 -3.849 -1.991 2.912 185 QB PRO 19 QB PRO 19 -4.225 -3.754 6.100 186 QG PRO 19 QG PRO 19 -5.400 -3.480 4.151 187 QD PRO 19 QD PRO 19 -3.861 -2.821 2.595 188 H ARG 20 H ARG 20 -2.999 -5.842 6.777 189 HA ARG 20 HA ARG 20 -1.352 -7.874 5.466 190 1HB ARG 20 1HB ARG 20 -1.888 -9.262 7.350 191 2HB ARG 20 2HB ARG 20 -1.642 -7.632 7.977 192 1HG ARG 20 1HG ARG 20 -4.198 -7.346 7.662 193 2HG ARG 20 2HG ARG 20 -4.238 -9.106 7.553 194 1HD ARG 20 2HD ARG 20 -2.615 -8.607 9.766 195 2HD ARG 20 1HD ARG 20 -4.301 -9.125 9.811 196 HE ARG 20 HE ARG 20 -4.314 -6.317 9.494 197 1HH1 ARG 20 1HH1 ARG 20 -4.443 -8.771 11.791 198 2HH1 ARG 20 2HH1 ARG 20 -4.141 -7.747 13.155 199 1HH2 ARG 20 1HH2 ARG 20 -3.422 -4.950 11.235 200 2HH2 ARG 20 2HH2 ARG 20 -3.566 -5.584 12.841 201 QB ARG 20 QB ARG 20 -1.765 -8.447 7.664 202 QG ARG 20 QG ARG 20 -4.218 -8.226 7.608 203 QD ARG 20 QD ARG 20 -3.458 -8.866 9.788 204 QH1 ARG 20 QH1 ARG 20 -4.292 -8.259 12.473 205 QH2 ARG 20 QH2 ARG 20 -3.494 -5.267 12.038 206 H THR 21 H THR 21 -4.198 -6.698 4.522 207 HA THR 21 HA THR 21 -5.865 -9.040 4.319 208 HB THR 21 HB THR 21 -6.687 -6.690 4.031 209 HG1 THR 21 HG1 THR 21 -8.159 -7.296 2.554 210 1HG2 THR 21 1HG2 THR 21 -4.617 -6.131 2.563 211 2HG2 THR 21 2HG2 THR 21 -5.567 -6.811 1.241 212 3HG2 THR 21 3HG2 THR 21 -6.168 -5.411 2.130 213 MG THR 21 MG THR 21 -5.451 -6.118 1.978 214 H TYR 22 H TYR 22 -5.909 -10.628 2.727 215 HA TYR 22 HA TYR 22 -5.236 -11.826 0.805 216 1HB TYR 22 1HB TYR 22 -5.309 -9.413 -0.207 217 2HB TYR 22 2HB TYR 22 -3.554 -9.480 -0.052 218 HD1 TYR 22 HD1 TYR 22 -6.089 -12.101 -0.921 219 HD2 TYR 22 HD2 TYR 22 -2.636 -9.871 -2.168 220 HE1 TYR 22 HE1 TYR 22 -5.955 -13.465 -2.989 221 HE2 TYR 22 HE2 TYR 22 -2.502 -11.234 -4.236 222 HH TYR 22 HH TYR 22 -3.223 -13.394 -5.063 223 QB TYR 22 QB TYR 22 -4.432 -9.447 -0.130 224 QD TYR 22 QD TYR 22 -4.363 -10.986 -1.545 225 QE TYR 22 QE TYR 22 -4.229 -12.350 -3.612 226 QR TYR 22 QR TYR 22 -4.296 -11.668 -2.578 227 H ALA 23 H ALA 23 -3.410 -10.850 3.318 228 HA ALA 23 HA ALA 23 -0.753 -11.510 2.430 229 1HB ALA 23 3HB ALA 23 -0.793 -10.249 4.413 230 2HB ALA 23 2HB ALA 23 -0.429 -11.874 4.992 231 3HB ALA 23 1HB ALA 23 -2.071 -11.241 5.118 232 MB ALA 23 MB ALA 23 -1.098 -11.121 4.841 233 H ASP 24 H ASP 24 -3.452 -13.288 3.629 234 HA ASP 24 HA ASP 24 -2.013 -15.761 4.137 235 1HB ASP 24 1HB ASP 24 -4.851 -14.875 4.134 236 2HB ASP 24 2HB ASP 24 -4.565 -16.592 3.846 237 QB ASP 24 QB ASP 24 -4.708 -15.733 3.990 238 H VAL 25 H VAL 25 -4.623 -15.200 1.746 239 HA VAL 25 HA VAL 25 -4.062 -17.380 0.095 240 HB VAL 25 HB VAL 25 -4.974 -14.620 -0.777 241 1HG1 VAL 25 1HG1 VAL 25 -4.347 -16.985 -2.273 242 2HG1 VAL 25 2HG1 VAL 25 -6.091 -16.736 -2.325 243 3HG1 VAL 25 3HG1 VAL 25 -5.001 -15.458 -2.864 244 1HG2 VAL 25 1HG2 VAL 25 -6.297 -15.850 1.043 245 2HG2 VAL 25 2HG2 VAL 25 -7.200 -15.401 -0.404 246 3HG2 VAL 25 3HG2 VAL 25 -6.657 -17.064 -0.184 247 MG1 VAL 25 MG1 VAL 25 -5.146 -16.393 -2.487 248 MG2 VAL 25 MG2 VAL 25 -6.718 -16.105 0.151 249 QG VAL 25 QG VAL 25 -5.932 -16.249 -1.168 250 H ARG 26 H ARG 26 -2.669 -14.095 -0.133 251 HA ARG 26 HA ARG 26 -0.998 -14.658 -2.389 252 1HB ARG 26 1HB ARG 26 -1.593 -12.374 -1.354 253 2HB ARG 26 2HB ARG 26 -0.287 -12.691 -0.212 254 1HG ARG 26 1HG ARG 26 1.291 -12.981 -2.081 255 2HG ARG 26 2HG ARG 26 -0.011 -12.678 -3.232 256 1HD ARG 26 1HD ARG 26 -0.295 -10.421 -2.428 257 2HD ARG 26 2HD ARG 26 0.812 -10.707 -1.086 258 HE ARG 26 HE ARG 26 1.836 -10.928 -3.874 259 1HH1 ARG 26 1HH1 ARG 26 3.742 -11.077 -1.626 260 2HH1 ARG 26 2HH1 ARG 26 4.308 -9.445 -1.488 261 1HH2 ARG 26 1HH2 ARG 26 1.698 -8.101 -3.335 262 2HH2 ARG 26 2HH2 ARG 26 3.152 -7.761 -2.457 263 QB ARG 26 QB ARG 26 -0.940 -12.533 -0.783 264 QG ARG 26 QG ARG 26 0.640 -12.829 -2.656 265 QD ARG 26 QD ARG 26 0.259 -10.564 -1.757 266 QH1 ARG 26 QH1 ARG 26 4.025 -10.261 -1.557 267 QH2 ARG 26 QH2 ARG 26 2.425 -7.931 -2.896 268 H ASP 27 H ASP 27 -0.538 -15.202 1.075 269 HA ASP 27 HA ASP 27 2.300 -15.800 0.805 270 1HB ASP 27 1HB ASP 27 1.330 -15.008 2.942 271 2HB ASP 27 2HB ASP 27 0.374 -16.487 3.046 272 QB ASP 27 QB ASP 27 0.852 -15.748 2.994 273 H GLU 28 H GLU 28 -0.654 -17.605 0.438 274 HA GLU 28 HA GLU 28 0.361 -20.226 0.923 275 1HB GLU 28 1HB GLU 28 -1.841 -19.191 -0.878 276 2HB GLU 28 2HB GLU 28 -1.476 -20.910 -0.736 277 1HG GLU 28 1HG GLU 28 -1.742 -20.650 1.774 278 2HG GLU 28 2HG GLU 28 -2.365 -19.030 1.464 279 QB GLU 28 QB GLU 28 -1.659 -20.050 -0.807 280 QG GLU 28 QG GLU 28 -2.053 -19.840 1.619 281 H ILE 29 H ILE 29 0.479 -18.122 -1.920 282 HA ILE 29 HA ILE 29 1.651 -20.177 -3.603 283 HB ILE 29 HB ILE 29 1.592 -17.164 -3.919 284 1HG1 ILE 29 1HG1 ILE 29 -0.076 -19.196 -5.400 285 2HG1 ILE 29 2HG1 ILE 29 -0.599 -18.551 -3.844 286 1HG2 ILE 29 1HG2 ILE 29 2.710 -19.373 -5.567 287 2HG2 ILE 29 2HG2 ILE 29 1.803 -18.131 -6.430 288 3HG2 ILE 29 3HG2 ILE 29 3.207 -17.684 -5.462 289 1HD1 ILE 29 1HD1 ILE 29 0.326 -16.538 -5.810 290 2HD1 ILE 29 2HD1 ILE 29 -1.176 -17.365 -6.219 291 3HD1 ILE 29 3HD1 ILE 29 -1.041 -16.481 -4.699 292 MG ILE 29 MG ILE 29 2.573 -18.396 -5.820 293 MD ILE 29 MD ILE 29 -0.631 -16.794 -5.576 294 QG ILE 29 QG ILE 29 -0.338 -18.874 -4.622 295 H ASN 30 H ASN 30 2.977 -19.335 -0.977 296 HA ASN 30 HA ASN 30 5.682 -18.783 -2.067 297 1HB ASN 30 1HB ASN 30 4.634 -17.186 -0.329 298 2HB ASN 30 2HB ASN 30 4.887 -18.493 0.829 299 2HD2 ASN 30 1HD2 ASN 30 6.951 -17.382 -1.913 300 1HD2 ASN 30 2HD2 ASN 30 8.322 -17.094 -0.955 301 QB ASN 30 QB ASN 30 4.761 -17.839 0.250 302 QD ASN 30 QD ASN 30 7.636 -17.238 -1.434 303 H LYS 31 H LYS 31 4.243 -20.469 0.764 304 HA LYS 31 HA LYS 31 5.969 -22.801 0.084 305 1HB LYS 31 1HB LYS 31 6.817 -21.231 2.005 306 2HB LYS 31 2HB LYS 31 5.534 -21.991 2.947 307 1HG LYS 31 1HG LYS 31 6.671 -24.181 1.791 308 2HG LYS 31 2HG LYS 31 8.079 -23.134 1.966 309 1HD LYS 31 1HD LYS 31 7.079 -22.743 4.389 310 2HD LYS 31 2HD LYS 31 6.313 -24.303 4.083 311 1HE LYS 31 1HE LYS 31 9.284 -23.770 3.794 312 2HE LYS 31 2HE LYS 31 8.539 -24.514 5.208 313 1HZ LYS 31 1HZ LYS 31 8.300 -25.567 2.443 314 2HZ LYS 31 2HZ LYS 31 9.417 -26.133 3.586 315 3HZ LYS 31 3HZ LYS 31 7.752 -26.312 3.868 316 QB LYS 31 QB LYS 31 6.175 -21.611 2.476 317 QD LYS 31 QD LYS 31 6.696 -23.523 4.236 318 QG LYS 31 QG LYS 31 7.375 -23.658 1.879 319 QE LYS 31 QE LYS 31 8.912 -24.142 4.501 320 QZ LYS 31 QZ LYS 31 8.490 -26.004 3.299 321 H ARG 32 H ARG 32 3.077 -22.359 -0.363 322 HA ARG 32 HA ARG 32 1.570 -23.666 1.700 323 1HB ARG 32 2HB ARG 32 0.503 -22.302 -0.063 324 2HB ARG 32 1HB ARG 32 -0.188 -23.921 0.000 325 1HG ARG 32 1HG ARG 32 1.922 -22.942 -1.947 326 2HG ARG 32 2HG ARG 32 1.338 -24.604 -1.850 327 1HD ARG 32 1HD ARG 32 -1.032 -23.448 -2.078 328 2HD ARG 32 2HD ARG 32 -0.088 -22.150 -2.807 329 HE ARG 32 HE ARG 32 -0.464 -24.856 -3.928 330 1HH1 ARG 32 1HH1 ARG 32 2.333 -24.415 -4.432 331 2HH1 ARG 32 2HH1 ARG 32 2.364 -23.429 -5.856 332 1HH2 ARG 32 1HH2 ARG 32 -0.953 -22.454 -5.576 333 2HH2 ARG 32 2HH2 ARG 32 0.503 -22.319 -6.503 334 QB ARG 32 QB ARG 32 0.158 -23.112 -0.031 335 QG ARG 32 QG ARG 32 1.630 -23.773 -1.899 336 QD ARG 32 QD ARG 32 -0.560 -22.799 -2.442 337 QH1 ARG 32 QH1 ARG 32 2.349 -23.922 -5.144 338 QH2 ARG 32 QH2 ARG 32 -0.225 -22.387 -6.039 339 H GLY 33 H GLY 33 3.945 -24.948 -0.254 340 1HA GLY 33 1HA GLY 33 3.020 -27.426 -1.141 341 2HA GLY 33 2HA GLY 33 4.651 -27.176 -0.512 342 QA GLY 33 QA GLY 33 3.836 -27.301 -0.827 343 H ARG 34 H ARG 34 1.994 -29.039 -0.072 344 HA ARG 34 HA ARG 34 2.850 -29.768 2.654 345 1HB ARG 34 1HB ARG 34 0.952 -27.960 2.697 346 2HB ARG 34 2HB ARG 34 -0.090 -29.300 2.218 347 1HG ARG 34 1HG ARG 34 0.051 -30.305 4.256 348 2HG ARG 34 2HG ARG 34 1.762 -29.912 4.437 349 1HD ARG 34 2HD ARG 34 0.928 -27.463 4.741 350 2HD ARG 34 1HD ARG 34 0.746 -28.585 6.090 351 HE ARG 34 HE ARG 34 -1.611 -28.719 4.497 352 1HH1 ARG 34 1HH1 ARG 34 -0.460 -27.600 7.394 353 2HH1 ARG 34 2HH1 ARG 34 -1.590 -26.298 7.568 354 1HH2 ARG 34 1HH2 ARG 34 -2.822 -26.590 4.339 355 2HH2 ARG 34 2HH2 ARG 34 -2.928 -25.725 5.837 356 QB ARG 34 QB ARG 34 0.431 -28.630 2.458 357 QG ARG 34 QG ARG 34 0.907 -30.108 4.347 358 QD ARG 34 QD ARG 34 0.837 -28.024 5.416 359 QH1 ARG 34 QH1 ARG 34 -1.025 -26.949 7.481 360 QH2 ARG 34 QH2 ARG 34 -2.875 -26.158 5.088 No H/Q in entry = 360 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -18.767 16.337 0.554 2 H2 MET 1 H2 MET 1 -20.216 16.539 -0.310 3 H3 MET 1 H3 MET 1 -19.866 17.544 1.015 4 HA MET 1 HA MET 1 -21.237 16.126 2.084 5 1HB MET 1 1HB MET 1 -21.263 13.637 1.369 6 2HB MET 1 2HB MET 1 -21.975 14.811 0.260 7 1HG MET 1 1HG MET 1 -20.490 14.264 -1.339 8 2HG MET 1 2HG MET 1 -19.145 14.598 -0.249 9 1HE MET 1 1HE MET 1 -21.695 12.507 -1.595 10 2HE MET 1 2HE MET 1 -21.047 10.871 -1.664 11 3HE MET 1 3HE MET 1 -21.968 11.388 -0.253 12 QB MET 1 QB MET 1 -21.619 14.224 0.814 13 QG MET 1 QG MET 1 -19.818 14.431 -0.794 14 ME MET 1 ME MET 1 -21.570 11.588 -1.171 15 H SER 2 H SER 2 -19.999 16.310 3.961 16 HA SER 2 HA SER 2 -17.415 15.288 4.410 17 1HB SER 2 1HB SER 2 -17.869 15.515 6.758 18 2HB SER 2 2HB SER 2 -18.761 16.800 5.949 19 HG SER 2 HG SER 2 -20.027 15.633 7.489 20 QB SER 2 QB SER 2 -18.315 16.157 6.353 21 H TRP 3 H TRP 3 -16.875 13.372 5.863 22 HA TRP 3 HA TRP 3 -18.639 11.182 6.241 23 1HB TRP 3 1HB TRP 3 -18.212 11.495 3.564 24 2HB TRP 3 2HB TRP 3 -16.898 10.394 3.981 25 HD1 TRP 3 HD1 TRP 3 -19.071 9.376 6.477 26 HE1 TRP 3 HE1 TRP 3 -20.677 7.486 5.771 27 HE3 TRP 3 HE3 TRP 3 -18.698 9.752 1.398 28 HZ2 TRP 3 HZ2 TRP 3 -21.671 6.292 3.370 29 HZ3 TRP 3 HZ3 TRP 3 -19.985 8.228 -0.073 30 HH2 TRP 3 HH2 TRP 3 -21.469 6.499 0.905 31 QB TRP 3 QB TRP 3 -17.555 10.945 3.773 32 H ALA 4 H ALA 4 -16.917 9.020 5.826 33 HA ALA 4 HA ALA 4 -14.780 9.654 7.791 34 1HB ALA 4 2HB ALA 4 -15.211 6.869 6.849 35 2HB ALA 4 1HB ALA 4 -16.539 7.602 7.750 36 3HB ALA 4 3HB ALA 4 -14.939 7.475 8.483 37 MB ALA 4 MB ALA 4 -15.563 7.316 7.694 38 H LEU 5 H LEU 5 -14.489 10.502 4.996 39 HA LEU 5 HA LEU 5 -12.777 8.641 3.602 40 1HB LEU 5 1HB LEU 5 -13.362 11.584 3.336 41 2HB LEU 5 2HB LEU 5 -12.087 10.831 2.376 42 HG LEU 5 HG LEU 5 -14.615 9.321 2.412 43 1HD1 LEU 5 1HD1 LEU 5 -15.273 11.822 2.408 44 2HD1 LEU 5 2HD1 LEU 5 -14.541 11.876 0.804 45 3HD1 LEU 5 3HD1 LEU 5 -15.915 10.813 1.112 46 1HD2 LEU 5 1HD2 LEU 5 -12.334 9.912 0.673 47 2HD2 LEU 5 2HD2 LEU 5 -13.379 8.492 0.706 48 3HD2 LEU 5 3HD2 LEU 5 -13.869 9.927 -0.195 49 MD1 LEU 5 MD1 LEU 5 -15.243 11.504 1.441 50 MD2 LEU 5 MD2 LEU 5 -13.194 9.444 0.395 51 QB LEU 5 QB LEU 5 -12.725 11.208 2.856 52 QD LEU 5 QD LEU 5 -14.219 10.474 0.918 53 H GLU 6 H GLU 6 -12.231 11.060 6.080 54 HA GLU 6 HA GLU 6 -9.434 11.455 5.707 55 1HB GLU 6 1HB GLU 6 -9.430 12.019 8.159 56 2HB GLU 6 2HB GLU 6 -10.671 12.870 7.240 57 1HG GLU 6 1HG GLU 6 -12.361 11.260 7.957 58 2HG GLU 6 2HG GLU 6 -11.134 10.315 8.804 59 QB GLU 6 QB GLU 6 -10.050 12.445 7.699 60 QG GLU 6 QG GLU 6 -11.748 10.788 8.380 61 H MET 7 H MET 7 -11.185 8.689 6.756 62 HA MET 7 HA MET 7 -8.666 7.480 7.824 63 1HB MET 7 1HB MET 7 -10.814 7.597 9.270 64 2HB MET 7 2HB MET 7 -11.434 6.337 8.203 65 1HG MET 7 1HG MET 7 -8.696 5.910 9.275 66 2HG MET 7 2HG MET 7 -10.014 5.797 10.442 67 1HE MET 7 1HE MET 7 -8.145 3.896 10.048 68 2HE MET 7 2HE MET 7 -9.233 2.533 10.344 69 3HE MET 7 3HE MET 7 -8.284 2.601 8.860 70 QB MET 7 QB MET 7 -11.124 6.967 8.737 71 QG MET 7 QG MET 7 -9.355 5.853 9.858 72 ME MET 7 ME MET 7 -8.554 3.010 9.751 73 H ALA 8 H ALA 8 -11.584 6.651 5.930 74 HA ALA 8 HA ALA 8 -10.707 4.179 4.912 75 1HB ALA 8 3HB ALA 8 -12.898 4.574 4.322 76 2HB ALA 8 1HB ALA 8 -12.607 6.279 3.977 77 3HB ALA 8 2HB ALA 8 -12.121 5.049 2.811 78 MB ALA 8 MB ALA 8 -12.542 5.301 3.703 79 H ASP 9 H ASP 9 -9.834 7.443 3.904 80 HA ASP 9 HA ASP 9 -8.710 6.915 1.378 81 1HB ASP 9 1HB ASP 9 -8.935 9.183 2.357 82 2HB ASP 9 2HB ASP 9 -7.636 8.807 3.489 83 QB ASP 9 QB ASP 9 -8.285 8.995 2.923 84 H THR 10 H THR 10 -7.002 6.874 4.534 85 HA THR 10 HA THR 10 -4.477 6.095 3.734 86 HB THR 10 HB THR 10 -5.388 6.388 6.128 87 HG1 THR 10 HG1 THR 10 -3.274 5.839 5.850 88 1HG2 THR 10 1HG2 THR 10 -6.987 4.303 5.548 89 2HG2 THR 10 2HG2 THR 10 -5.626 3.425 6.244 90 3HG2 THR 10 3HG2 THR 10 -6.456 4.660 7.190 91 MG THR 10 MG THR 10 -6.356 4.129 6.328 92 H PHE 11 H PHE 11 -7.389 4.117 3.747 93 HA PHE 11 HA PHE 11 -5.930 1.660 3.091 94 1HB PHE 11 1HB PHE 11 -8.037 1.553 4.362 95 2HB PHE 11 2HB PHE 11 -8.895 2.296 3.013 96 HD1 PHE 11 HD1 PHE 11 -6.427 -0.502 3.477 97 HD2 PHE 11 HD2 PHE 11 -10.108 0.815 1.694 98 HE1 PHE 11 HE1 PHE 11 -6.724 -2.734 2.441 99 HE2 PHE 11 HE2 PHE 11 -10.404 -1.419 0.659 100 HZ PHE 11 HZ PHE 11 -8.712 -3.194 1.031 101 QB PHE 11 QB PHE 11 -8.466 1.925 3.687 102 QD PHE 11 QD PHE 11 -8.267 0.156 2.586 103 QE PHE 11 QE PHE 11 -8.564 -2.077 1.550 104 QR PHE 11 QR PHE 11 -8.475 -1.407 1.860 105 H LEU 12 H LEU 12 -7.920 4.046 1.349 106 HA LEU 12 HA LEU 12 -7.776 2.651 -1.180 107 1HB LEU 12 1HB LEU 12 -8.845 5.196 -0.169 108 2HB LEU 12 2HB LEU 12 -8.221 5.301 -1.816 109 HG LEU 12 HG LEU 12 -10.143 3.151 -0.883 110 1HD1 LEU 12 1HD1 LEU 12 -11.112 5.475 -0.796 111 2HD1 LEU 12 2HD1 LEU 12 -10.751 5.633 -2.516 112 3HD1 LEU 12 3HD1 LEU 12 -11.903 4.416 -1.965 113 1HD2 LEU 12 1HD2 LEU 12 -8.830 3.910 -3.467 114 2HD2 LEU 12 2HD2 LEU 12 -9.147 2.307 -2.804 115 3HD2 LEU 12 3HD2 LEU 12 -10.461 3.242 -3.519 116 MD1 LEU 12 MD1 LEU 12 -11.255 5.175 -1.759 117 MD2 LEU 12 MD2 LEU 12 -9.480 3.153 -3.264 118 QB LEU 12 QB LEU 12 -8.533 5.248 -0.992 119 QD LEU 12 QD LEU 12 -10.367 4.164 -2.511 120 H ASP 13 H ASP 13 -5.404 4.160 0.601 121 HA ASP 13 HA ASP 13 -3.986 5.665 -1.375 122 1HB ASP 13 1HB ASP 13 -3.363 5.906 0.938 123 2HB ASP 13 2HB ASP 13 -3.039 4.178 1.089 124 QB ASP 13 QB ASP 13 -3.201 5.042 1.014 125 H ASN 14 H ASN 14 -3.942 2.212 -0.526 126 HA ASN 14 HA ASN 14 -1.860 1.667 -2.542 127 1HB ASN 14 1HB ASN 14 -2.545 0.423 -0.200 128 2HB ASN 14 2HB ASN 14 -3.349 -0.607 -1.385 129 2HD2 ASN 14 1HD2 ASN 14 -1.718 -2.314 -0.886 130 1HD2 ASN 14 2HD2 ASN 14 -0.155 -2.207 -1.541 131 QB ASN 14 QB ASN 14 -2.947 -0.092 -0.793 132 QD ASN 14 QD ASN 14 -0.937 -2.260 -1.213 133 H MET 15 H MET 15 -4.880 2.541 -2.951 134 HA MET 15 HA MET 15 -5.326 0.643 -5.212 135 1HB MET 15 1HB MET 15 -7.310 1.642 -3.162 136 2HB MET 15 2HB MET 15 -7.831 1.065 -4.745 137 1HG MET 15 1HG MET 15 -7.166 -1.122 -4.321 138 2HG MET 15 2HG MET 15 -5.959 -0.633 -3.133 139 1HE MET 15 1HE MET 15 -9.252 -1.310 -4.223 140 2HE MET 15 2HE MET 15 -10.120 -1.933 -2.820 141 3HE MET 15 3HE MET 15 -10.237 -0.220 -3.248 142 QB MET 15 QB MET 15 -7.571 1.354 -3.954 143 QG MET 15 QG MET 15 -6.562 -0.878 -3.727 144 ME MET 15 ME MET 15 -9.870 -1.154 -3.430 145 H ARG 16 H ARG 16 -4.159 2.467 -6.304 146 HA ARG 16 HA ARG 16 -5.765 4.934 -6.626 147 1HB ARG 16 1HB ARG 16 -2.930 4.156 -7.144 148 2HB ARG 16 2HB ARG 16 -3.628 5.419 -8.158 149 1HG ARG 16 1HG ARG 16 -3.700 5.434 -5.127 150 2HG ARG 16 2HG ARG 16 -2.519 6.315 -6.096 151 1HD ARG 16 1HD ARG 16 -5.523 6.707 -6.083 152 2HD ARG 16 2HD ARG 16 -4.296 7.854 -5.543 153 HE ARG 16 HE ARG 16 -3.710 7.287 -8.236 154 1HH1 ARG 16 1HH1 ARG 16 -4.719 9.871 -6.685 155 2HH1 ARG 16 2HH1 ARG 16 -5.969 10.365 -7.778 156 1HH2 ARG 16 1HH2 ARG 16 -6.000 7.368 -9.519 157 2HH2 ARG 16 2HH2 ARG 16 -6.693 8.949 -9.382 158 QB ARG 16 QB ARG 16 -3.279 4.788 -7.651 159 QG ARG 16 QG ARG 16 -3.110 5.874 -5.611 160 QD ARG 16 QD ARG 16 -4.909 7.280 -5.813 161 QH1 ARG 16 QH1 ARG 16 -5.344 10.118 -7.231 162 QH2 ARG 16 QH2 ARG 16 -6.347 8.159 -9.451 163 H VAL 17 H VAL 17 -7.329 3.297 -7.733 164 HA VAL 17 HA VAL 17 -8.472 3.026 -9.781 165 HB VAL 17 HB VAL 17 -6.652 4.944 -10.459 166 1HG1 VAL 17 1HG1 VAL 17 -5.175 2.871 -11.192 167 2HG1 VAL 17 2HG1 VAL 17 -6.212 2.911 -12.618 168 3HG1 VAL 17 3HG1 VAL 17 -5.239 4.320 -12.194 169 1HG2 VAL 17 1HG2 VAL 17 -8.635 3.412 -12.149 170 2HG2 VAL 17 2HG2 VAL 17 -8.875 4.949 -11.319 171 3HG2 VAL 17 3HG2 VAL 17 -7.822 4.865 -12.731 172 MG1 VAL 17 MG1 VAL 17 -5.542 3.367 -12.001 173 MG2 VAL 17 MG2 VAL 17 -8.444 4.409 -12.066 174 QG VAL 17 QG VAL 17 -6.993 3.888 -12.034 175 H GLY 18 H GLY 18 -6.479 1.114 -8.391 176 1HA GLY 18 1HA GLY 18 -5.333 -0.556 -10.418 177 2HA GLY 18 2HA GLY 18 -5.695 -1.065 -8.767 178 QA GLY 18 QA GLY 18 -5.514 -0.810 -9.592 179 1HB PRO 19 1HB PRO 19 -8.071 -5.745 -10.607 180 2HB PRO 19 2HB PRO 19 -7.221 -4.985 -11.963 181 1HG PRO 19 2HG PRO 19 -5.340 -5.253 -10.648 182 2HG PRO 19 1HG PRO 19 -6.288 -5.398 -9.159 183 1HD PRO 19 1HD PRO 19 -5.716 -3.214 -8.723 184 2HD PRO 19 2HD PRO 19 -5.069 -2.996 -10.364 185 QB PRO 19 QB PRO 19 -7.646 -5.365 -11.285 186 QG PRO 19 QG PRO 19 -5.814 -5.326 -9.904 187 QD PRO 19 QD PRO 19 -5.392 -3.105 -9.544 188 H ARG 20 H ARG 20 -10.648 -4.317 -10.867 189 HA ARG 20 HA ARG 20 -12.284 -5.036 -9.311 190 1HB ARG 20 1HB ARG 20 -10.027 -5.432 -7.842 191 2HB ARG 20 2HB ARG 20 -10.804 -4.155 -6.904 192 1HG ARG 20 1HG ARG 20 -12.602 -5.473 -6.336 193 2HG ARG 20 2HG ARG 20 -12.534 -6.394 -7.838 194 1HD ARG 20 1HD ARG 20 -10.112 -6.865 -6.383 195 2HD ARG 20 2HD ARG 20 -11.477 -7.119 -5.294 196 HE ARG 20 HE ARG 20 -10.731 -8.876 -7.419 197 1HH1 ARG 20 1HH1 ARG 20 -13.419 -7.402 -5.833 198 2HH1 ARG 20 2HH1 ARG 20 -14.551 -8.607 -6.349 199 1HH2 ARG 20 1HH2 ARG 20 -12.213 -10.411 -8.165 200 2HH2 ARG 20 2HH2 ARG 20 -13.870 -10.307 -7.670 201 QB ARG 20 QB ARG 20 -10.415 -4.793 -7.373 202 QG ARG 20 QG ARG 20 -12.568 -5.933 -7.087 203 QD ARG 20 QD ARG 20 -10.795 -6.992 -5.838 204 QH1 ARG 20 QH1 ARG 20 -13.985 -8.004 -6.091 205 QH2 ARG 20 QH2 ARG 20 -13.041 -10.359 -7.918 206 H THR 21 H THR 21 -10.516 -2.193 -8.011 207 HA THR 21 HA THR 21 -11.307 -0.073 -7.411 208 HB THR 21 HB THR 21 -12.760 0.978 -8.946 209 HG1 THR 21 HG1 THR 21 -14.269 -0.181 -10.140 210 1HG2 THR 21 1HG2 THR 21 -11.409 -1.359 -10.318 211 2HG2 THR 21 2HG2 THR 21 -12.095 0.021 -11.174 212 3HG2 THR 21 3HG2 THR 21 -10.744 0.255 -10.066 213 MG THR 21 MG THR 21 -11.416 -0.361 -10.519 214 H TYR 22 H TYR 22 -14.164 0.714 -7.480 215 HA TYR 22 HA TYR 22 -15.235 -1.066 -5.330 216 1HB TYR 22 1HB TYR 22 -14.686 1.866 -5.270 217 2HB TYR 22 2HB TYR 22 -16.163 1.306 -4.488 218 HD1 TYR 22 HD1 TYR 22 -15.769 -0.987 -3.067 219 HD2 TYR 22 HD2 TYR 22 -12.802 1.998 -3.919 220 HE1 TYR 22 HE1 TYR 22 -14.451 -1.739 -1.107 221 HE2 TYR 22 HE2 TYR 22 -11.484 1.248 -1.957 222 HH TYR 22 HH TYR 22 -12.351 -0.127 0.420 223 QB TYR 22 QB TYR 22 -15.425 1.586 -4.879 224 QD TYR 22 QD TYR 22 -14.286 0.506 -3.493 225 QE TYR 22 QE TYR 22 -12.967 -0.246 -1.532 226 QR TYR 22 QR TYR 22 -13.626 0.130 -2.513 227 H ALA 23 H ALA 23 -16.242 1.872 -7.097 228 HA ALA 23 HA ALA 23 -18.858 1.919 -7.229 229 1HB ALA 23 3HB ALA 23 -18.572 3.092 -9.117 230 2HB ALA 23 2HB ALA 23 -18.114 1.636 -10.000 231 3HB ALA 23 1HB ALA 23 -16.893 2.553 -9.116 232 MB ALA 23 MB ALA 23 -17.860 2.427 -9.411 233 H ASP 24 H ASP 24 -17.183 -0.577 -9.042 234 HA ASP 24 HA ASP 24 -19.541 -1.893 -9.984 235 1HB ASP 24 1HB ASP 24 -16.890 -2.179 -10.504 236 2HB ASP 24 2HB ASP 24 -17.166 -3.591 -9.485 237 QB ASP 24 QB ASP 24 -17.028 -2.885 -9.995 238 H VAL 25 H VAL 25 -17.301 -3.416 -7.658 239 HA VAL 25 HA VAL 25 -19.045 -5.287 -6.608 240 HB VAL 25 HB VAL 25 -17.108 -3.699 -4.905 241 1HG1 VAL 25 1HG1 VAL 25 -18.312 -6.468 -4.775 242 2HG1 VAL 25 2HG1 VAL 25 -16.849 -6.045 -3.888 243 3HG1 VAL 25 3HG1 VAL 25 -18.360 -5.201 -3.550 244 1HG2 VAL 25 1HG2 VAL 25 -16.690 -5.597 -7.154 245 2HG2 VAL 25 2HG2 VAL 25 -15.631 -4.325 -6.545 246 3HG2 VAL 25 3HG2 VAL 25 -15.710 -5.880 -5.716 247 MG1 VAL 25 MG1 VAL 25 -17.840 -5.905 -4.071 248 MG2 VAL 25 MG2 VAL 25 -16.010 -5.267 -6.472 249 QG VAL 25 QG VAL 25 -16.925 -5.586 -5.271 250 H ARG 26 H ARG 26 -18.621 -1.974 -5.326 251 HA ARG 26 HA ARG 26 -20.488 -2.038 -3.258 252 1HB ARG 26 1HB ARG 26 -19.128 -0.026 -4.765 253 2HB ARG 26 2HB ARG 26 -20.819 0.452 -4.615 254 1HG ARG 26 1HG ARG 26 -20.396 -0.380 -2.091 255 2HG ARG 26 2HG ARG 26 -18.751 0.108 -2.500 256 1HD ARG 26 1HD ARG 26 -19.490 2.172 -1.858 257 2HD ARG 26 2HD ARG 26 -20.136 2.219 -3.498 258 HE ARG 26 HE ARG 26 -22.251 2.299 -2.480 259 1HH1 ARG 26 1HH1 ARG 26 -22.548 -0.463 -1.759 260 2HH1 ARG 26 2HH1 ARG 26 -22.598 -0.459 -0.028 261 1HH2 ARG 26 1HH2 ARG 26 -21.242 2.719 0.272 262 2HH2 ARG 26 2HH2 ARG 26 -21.860 1.342 1.123 263 QB ARG 26 QB ARG 26 -19.974 0.213 -4.690 264 QG ARG 26 QG ARG 26 -19.573 -0.136 -2.296 265 QD ARG 26 QD ARG 26 -19.813 2.195 -2.678 266 QH1 ARG 26 QH1 ARG 26 -22.573 -0.461 -0.893 267 QH2 ARG 26 QH2 ARG 26 -21.551 2.030 0.697 268 H ASP 27 H ASP 27 -21.146 -1.310 -6.701 269 HA ASP 27 HA ASP 27 -23.942 -0.870 -6.397 270 1HB ASP 27 1HB ASP 27 -22.203 -0.717 -8.485 271 2HB ASP 27 2HB ASP 27 -23.081 -2.189 -8.901 272 QB ASP 27 QB ASP 27 -22.642 -1.453 -8.693 273 H GLU 28 H GLU 28 -22.113 -3.886 -6.691 274 HA GLU 28 HA GLU 28 -24.370 -5.544 -7.278 275 1HB GLU 28 2HB GLU 28 -21.702 -6.019 -7.120 276 2HB GLU 28 1HB GLU 28 -22.905 -7.303 -7.092 277 1HG GLU 28 1HG GLU 28 -21.564 -6.018 -4.695 278 2HG GLU 28 2HG GLU 28 -22.900 -7.160 -4.579 279 QB GLU 28 QB GLU 28 -22.304 -6.661 -7.106 280 QG GLU 28 QG GLU 28 -22.232 -6.589 -4.637 281 H ILE 29 H ILE 29 -23.132 -4.185 -4.272 282 HA ILE 29 HA ILE 29 -24.922 -5.791 -2.623 283 HB ILE 29 HB ILE 29 -23.731 -3.169 -1.752 284 1HG1 ILE 29 1HG1 ILE 29 -22.323 -5.830 -2.121 285 2HG1 ILE 29 2HG1 ILE 29 -21.888 -4.281 -2.845 286 1HG2 ILE 29 1HG2 ILE 29 -25.299 -4.622 -0.328 287 2HG2 ILE 29 2HG2 ILE 29 -23.979 -5.790 -0.267 288 3HG2 ILE 29 3HG2 ILE 29 -23.759 -4.175 0.405 289 1HD1 ILE 29 1HD1 ILE 29 -21.944 -4.748 0.145 290 2HD1 ILE 29 2HD1 ILE 29 -20.491 -4.945 -0.834 291 3HD1 ILE 29 3HD1 ILE 29 -21.265 -3.364 -0.712 292 MG ILE 29 MG ILE 29 -24.346 -4.862 -0.063 293 MD ILE 29 MD ILE 29 -21.233 -4.352 -0.467 294 QG ILE 29 QG ILE 29 -22.106 -5.055 -2.483 295 H ASN 30 H ASN 30 -25.974 -3.997 -4.860 296 HA ASN 30 HA ASN 30 -27.882 -2.376 -3.276 297 1HB ASN 30 1HB ASN 30 -27.002 -2.266 -6.168 298 2HB ASN 30 2HB ASN 30 -28.417 -1.393 -5.580 299 2HD2 ASN 30 1HD2 ASN 30 -27.651 0.760 -5.580 300 1HD2 ASN 30 2HD2 ASN 30 -26.282 1.276 -4.720 301 QB ASN 30 QB ASN 30 -27.710 -1.829 -5.874 302 QD ASN 30 QD ASN 30 -26.966 1.018 -5.150 303 H LYS 31 H LYS 31 -27.964 -4.242 -6.342 304 HA LYS 31 HA LYS 31 -30.416 -5.582 -5.298 305 1HB LYS 31 1HB LYS 31 -30.406 -3.637 -7.327 306 2HB LYS 31 2HB LYS 31 -30.549 -5.180 -8.168 307 1HG LYS 31 1HG LYS 31 -32.410 -5.803 -6.618 308 2HG LYS 31 2HG LYS 31 -32.313 -4.191 -5.909 309 1HD LYS 31 1HD LYS 31 -33.323 -3.202 -7.695 310 2HD LYS 31 2HD LYS 31 -32.505 -4.243 -8.860 311 1HE LYS 31 1HE LYS 31 -34.774 -5.173 -7.080 312 2HE LYS 31 2HE LYS 31 -34.996 -4.608 -8.735 313 1HZ LYS 31 1HZ LYS 31 -32.913 -6.563 -8.479 314 2HZ LYS 31 2HZ LYS 31 -34.432 -7.156 -7.999 315 3HZ LYS 31 3HZ LYS 31 -34.227 -6.513 -9.555 316 QB LYS 31 QB LYS 31 -30.478 -4.408 -7.747 317 QD LYS 31 QD LYS 31 -32.914 -3.722 -8.278 318 QG LYS 31 QG LYS 31 -32.362 -4.997 -6.263 319 QE LYS 31 QE LYS 31 -34.885 -4.890 -7.907 320 QZ LYS 31 QZ LYS 31 -33.857 -6.744 -8.678 321 H ARG 32 H ARG 32 -27.599 -6.515 -5.527 322 HA ARG 32 HA ARG 32 -27.253 -8.180 -7.807 323 1HB ARG 32 1HB ARG 32 -25.386 -7.765 -6.332 324 2HB ARG 32 2HB ARG 32 -26.245 -8.494 -4.975 325 1HG ARG 32 1HG ARG 32 -26.269 -10.665 -6.174 326 2HG ARG 32 2HG ARG 32 -25.377 -9.926 -7.504 327 1HD ARG 32 1HD ARG 32 -23.550 -9.350 -5.896 328 2HD ARG 32 2HD ARG 32 -24.424 -10.231 -4.642 329 HE ARG 32 HE ARG 32 -23.676 -12.240 -5.623 330 1HH1 ARG 32 1HH1 ARG 32 -22.042 -9.804 -7.117 331 2HH1 ARG 32 2HH1 ARG 32 -21.825 -10.600 -8.639 332 1HH2 ARG 32 1HH2 ARG 32 -24.001 -13.195 -7.892 333 2HH2 ARG 32 2HH2 ARG 32 -22.933 -12.522 -9.077 334 QB ARG 32 QB ARG 32 -25.815 -8.129 -5.654 335 QG ARG 32 QG ARG 32 -25.823 -10.295 -6.839 336 QD ARG 32 QD ARG 32 -23.987 -9.791 -5.269 337 QH1 ARG 32 QH1 ARG 32 -21.933 -10.202 -7.878 338 QH2 ARG 32 QH2 ARG 32 -23.467 -12.858 -8.484 339 H GLY 33 H GLY 33 -27.533 -9.831 -4.783 340 1HA GLY 33 1HA GLY 33 -29.710 -11.028 -4.224 341 2HA GLY 33 2HA GLY 33 -29.767 -11.449 -5.937 342 QA GLY 33 QA GLY 33 -29.738 -11.238 -5.080 343 H ARG 34 H ARG 34 -28.745 -13.307 -6.574 344 HA ARG 34 HA ARG 34 -27.519 -14.983 -4.514 345 1HB ARG 34 1HB ARG 34 -27.162 -16.530 -6.549 346 2HB ARG 34 2HB ARG 34 -28.827 -16.178 -6.088 347 1HG ARG 34 1HG ARG 34 -29.187 -14.791 -7.909 348 2HG ARG 34 2HG ARG 34 -27.481 -14.364 -8.052 349 1HD ARG 34 1HD ARG 34 -27.359 -17.040 -8.530 350 2HD ARG 34 2HD ARG 34 -28.952 -16.668 -9.191 351 HE ARG 34 HE ARG 34 -26.735 -14.906 -10.040 352 1HH1 ARG 34 1HH1 ARG 34 -28.477 -14.483 -11.986 353 2HH1 ARG 34 2HH1 ARG 34 -28.407 -15.797 -13.112 354 1HH2 ARG 34 1HH2 ARG 34 -26.792 -17.942 -10.919 355 2HH2 ARG 34 2HH2 ARG 34 -27.456 -17.755 -12.509 356 QB ARG 34 QB ARG 34 -27.994 -16.354 -6.319 357 QG ARG 34 QG ARG 34 -28.334 -14.577 -7.981 358 QD ARG 34 QD ARG 34 -28.156 -16.854 -8.860 359 QH1 ARG 34 QH1 ARG 34 -28.442 -15.140 -12.549 360 QH2 ARG 34 QH2 ARG 34 -27.124 -17.848 -11.714 No H/Q in entry = 360 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -23.824 7.373 5.190 2 H2 MET 1 H2 MET 1 -24.166 8.101 6.687 3 H3 MET 1 H3 MET 1 -25.088 8.496 5.316 4 HA MET 1 HA MET 1 -23.626 9.994 4.588 5 1HB MET 1 1HB MET 1 -22.905 9.501 7.461 6 2HB MET 1 2HB MET 1 -21.940 10.637 6.517 7 1HG MET 1 1HG MET 1 -23.704 12.119 6.238 8 2HG MET 1 2HG MET 1 -24.926 10.858 6.400 9 1HE MET 1 1HE MET 1 -21.918 12.304 8.036 10 2HE MET 1 2HE MET 1 -22.290 12.515 9.745 11 3HE MET 1 3HE MET 1 -21.945 10.904 9.105 12 QB MET 1 QB MET 1 -22.422 10.069 6.989 13 QG MET 1 QG MET 1 -24.315 11.489 6.319 14 ME MET 1 ME MET 1 -22.051 11.908 8.962 15 H SER 2 H SER 2 -22.221 9.469 2.979 16 HA SER 2 HA SER 2 -20.422 7.324 2.916 17 1HB SER 2 1HB SER 2 -19.786 9.967 1.607 18 2HB SER 2 2HB SER 2 -19.437 8.344 1.019 19 HG SER 2 HG SER 2 -21.617 8.039 0.656 20 QB SER 2 QB SER 2 -19.611 9.155 1.313 21 H TRP 3 H TRP 3 -19.319 7.145 4.927 22 HA TRP 3 HA TRP 3 -17.436 9.360 5.600 23 1HB TRP 3 1HB TRP 3 -19.052 7.613 7.161 24 2HB TRP 3 2HB TRP 3 -17.367 7.214 7.502 25 HD1 TRP 3 HD1 TRP 3 -18.885 10.671 6.690 26 HE1 TRP 3 HE1 TRP 3 -18.297 12.280 8.617 27 HE3 TRP 3 HE3 TRP 3 -16.541 7.428 9.866 28 HZ2 TRP 3 HZ2 TRP 3 -17.007 12.201 11.167 29 HZ3 TRP 3 HZ3 TRP 3 -15.645 8.220 12.035 30 HH2 TRP 3 HH2 TRP 3 -15.873 10.602 12.690 31 QB TRP 3 QB TRP 3 -18.209 7.414 7.331 32 H ALA 4 H ALA 4 -16.517 8.119 3.371 33 HA ALA 4 HA ALA 4 -14.756 5.883 4.186 34 1HB ALA 4 3HB ALA 4 -15.683 5.459 2.073 35 2HB ALA 4 1HB ALA 4 -15.523 7.139 1.560 36 3HB ALA 4 2HB ALA 4 -14.094 6.111 1.668 37 MB ALA 4 MB ALA 4 -15.100 6.236 1.767 38 H LEU 5 H LEU 5 -14.312 8.632 5.233 39 HA LEU 5 HA LEU 5 -11.975 9.657 3.800 40 1HB LEU 5 1HB LEU 5 -13.563 10.443 6.188 41 2HB LEU 5 2HB LEU 5 -11.870 10.934 6.178 42 HG LEU 5 HG LEU 5 -13.345 12.648 5.141 43 1HD1 LEU 5 1HD1 LEU 5 -10.907 11.885 4.325 44 2HD1 LEU 5 2HD1 LEU 5 -11.802 11.529 2.847 45 3HD1 LEU 5 3HD1 LEU 5 -11.806 13.164 3.508 46 1HD2 LEU 5 1HD2 LEU 5 -14.825 10.657 4.184 47 2HD2 LEU 5 2HD2 LEU 5 -14.725 12.197 3.330 48 3HD2 LEU 5 3HD2 LEU 5 -13.750 10.828 2.796 49 MD1 LEU 5 MD1 LEU 5 -11.505 12.192 3.560 50 MD2 LEU 5 MD2 LEU 5 -14.433 11.227 3.437 51 QB LEU 5 QB LEU 5 -12.716 10.688 6.183 52 QD LEU 5 QD LEU 5 -12.969 11.710 3.498 53 H GLU 6 H GLU 6 -12.547 7.982 6.906 54 HA GLU 6 HA GLU 6 -9.765 7.828 7.615 55 1HB GLU 6 1HB GLU 6 -11.746 7.462 9.169 56 2HB GLU 6 2HB GLU 6 -11.923 5.868 8.433 57 1HG GLU 6 1HG GLU 6 -9.288 5.789 8.978 58 2HG GLU 6 2HG GLU 6 -9.804 6.886 10.259 59 QB GLU 6 QB GLU 6 -11.834 6.665 8.801 60 QG GLU 6 QG GLU 6 -9.546 6.337 9.619 61 H MET 7 H MET 7 -11.896 5.765 5.694 62 HA MET 7 HA MET 7 -9.919 3.631 5.468 63 1HB MET 7 1HB MET 7 -12.519 3.492 5.242 64 2HB MET 7 2HB MET 7 -12.225 3.986 3.574 65 1HG MET 7 1HG MET 7 -12.220 1.583 3.590 66 2HG MET 7 2HG MET 7 -10.539 2.094 3.425 67 1HE MET 7 1HE MET 7 -13.212 0.510 5.061 68 2HE MET 7 2HE MET 7 -12.584 -0.378 6.458 69 3HE MET 7 3HE MET 7 -13.129 1.288 6.640 70 QB MET 7 QB MET 7 -12.372 3.739 4.408 71 QG MET 7 QG MET 7 -11.379 1.839 3.508 72 ME MET 7 ME MET 7 -12.975 0.473 6.053 73 H ALA 8 H ALA 8 -10.933 6.396 3.567 74 HA ALA 8 HA ALA 8 -9.343 5.737 1.216 75 1HB ALA 8 1HB ALA 8 -11.446 7.071 1.138 76 2HB ALA 8 3HB ALA 8 -10.080 7.863 0.353 77 3HB ALA 8 2HB ALA 8 -10.593 8.378 1.961 78 MB ALA 8 MB ALA 8 -10.706 7.771 1.151 79 H ASP 9 H ASP 9 -8.555 7.532 4.109 80 HA ASP 9 HA ASP 9 -6.889 9.441 3.525 81 1HB ASP 9 1HB ASP 9 -7.169 7.791 5.686 82 2HB ASP 9 2HB ASP 9 -5.489 7.509 5.231 83 QB ASP 9 QB ASP 9 -6.329 7.650 5.459 84 H THR 10 H THR 10 -4.268 8.507 4.232 85 HA THR 10 HA THR 10 -2.689 8.772 2.100 86 HB THR 10 HB THR 10 -1.591 8.341 4.148 87 HG1 THR 10 HG1 THR 10 -0.348 6.369 3.606 88 1HG2 THR 10 1HG2 THR 10 -3.398 6.968 5.137 89 2HG2 THR 10 2HG2 THR 10 -2.904 5.608 4.130 90 3HG2 THR 10 3HG2 THR 10 -1.816 6.224 5.375 91 MG THR 10 MG THR 10 -2.706 6.267 4.880 92 H PHE 11 H PHE 11 -4.177 7.952 0.389 93 HA PHE 11 HA PHE 11 -4.912 6.353 -1.158 94 1HB PHE 11 1HB PHE 11 -2.458 4.778 -0.521 95 2HB PHE 11 2HB PHE 11 -3.281 4.983 -2.066 96 HD1 PHE 11 HD1 PHE 11 -3.625 7.810 -2.387 97 HD2 PHE 11 HD2 PHE 11 -0.296 5.699 -0.682 98 HE1 PHE 11 HE1 PHE 11 -2.135 9.711 -2.946 99 HE2 PHE 11 HE2 PHE 11 1.195 7.601 -1.242 100 HZ PHE 11 HZ PHE 11 0.275 9.607 -2.375 101 QB PHE 11 QB PHE 11 -2.870 4.881 -1.294 102 QD PHE 11 QD PHE 11 -1.960 6.755 -1.535 103 QE PHE 11 QE PHE 11 -0.470 8.656 -2.094 104 QR PHE 11 QR PHE 11 -0.917 8.086 -1.926 105 H LEU 12 H LEU 12 -5.284 6.006 1.822 106 HA LEU 12 HA LEU 12 -5.236 3.232 2.405 107 1HB LEU 12 1HB LEU 12 -5.581 5.493 3.866 108 2HB LEU 12 2HB LEU 12 -7.266 5.052 3.654 109 HG LEU 12 HG LEU 12 -5.367 2.882 4.444 110 1HD1 LEU 12 1HD1 LEU 12 -4.958 5.060 5.832 111 2HD1 LEU 12 2HD1 LEU 12 -6.521 4.684 6.559 112 3HD1 LEU 12 3HD1 LEU 12 -5.190 3.535 6.688 113 1HD2 LEU 12 1HD2 LEU 12 -7.851 2.589 4.027 114 2HD2 LEU 12 2HD2 LEU 12 -7.299 2.047 5.612 115 3HD2 LEU 12 3HD2 LEU 12 -8.127 3.592 5.451 116 MD1 LEU 12 MD1 LEU 12 -5.556 4.426 6.360 117 MD2 LEU 12 MD2 LEU 12 -7.759 2.743 5.030 118 QB LEU 12 QB LEU 12 -6.423 5.272 3.760 119 QD LEU 12 QD LEU 12 -6.658 3.585 5.695 120 H ASP 13 H ASP 13 -7.152 5.423 0.539 121 HA ASP 13 HA ASP 13 -9.678 4.195 0.409 122 1HB ASP 13 1HB ASP 13 -8.133 5.961 -1.240 123 2HB ASP 13 2HB ASP 13 -8.942 4.780 -2.270 124 QB ASP 13 QB ASP 13 -8.537 5.370 -1.755 125 H ASN 14 H ASN 14 -7.056 3.362 -1.925 126 HA ASN 14 HA ASN 14 -8.464 0.779 -2.366 127 1HB ASN 14 1HB ASN 14 -7.530 2.447 -4.211 128 2HB ASN 14 2HB ASN 14 -6.029 1.567 -3.915 129 2HD2 ASN 14 1HD2 ASN 14 -8.226 1.530 -6.186 130 1HD2 ASN 14 2HD2 ASN 14 -8.482 -0.132 -6.420 131 QB ASN 14 QB ASN 14 -6.780 2.007 -4.063 132 QD ASN 14 QD ASN 14 -8.354 0.699 -6.303 133 H MET 15 H MET 15 -5.629 2.064 -0.892 134 HA MET 15 HA MET 15 -3.700 1.037 -0.008 135 1HB MET 15 1HB MET 15 -4.325 -0.948 1.449 136 2HB MET 15 2HB MET 15 -5.247 0.524 1.752 137 1HG MET 15 1HG MET 15 -7.105 -0.315 0.411 138 2HG MET 15 2HG MET 15 -6.175 -1.750 -0.024 139 1HE MET 15 1HE MET 15 -5.235 -3.453 1.708 140 2HE MET 15 2HE MET 15 -6.550 -4.173 2.646 141 3HE MET 15 3HE MET 15 -6.769 -3.834 0.932 142 QB MET 15 QB MET 15 -4.786 -0.212 1.601 143 QG MET 15 QG MET 15 -6.640 -1.032 0.194 144 ME MET 15 ME MET 15 -6.185 -3.820 1.762 145 H ARG 16 H ARG 16 -2.860 0.547 -2.194 146 HA ARG 16 HA ARG 16 -3.287 -2.172 -3.226 147 1HB ARG 16 2HB ARG 16 -2.972 -0.212 -4.747 148 2HB ARG 16 1HB ARG 16 -1.794 -1.493 -5.033 149 1HG ARG 16 1HG ARG 16 -1.407 1.216 -3.832 150 2HG ARG 16 2HG ARG 16 -0.404 -0.099 -3.223 151 1HD ARG 16 1HD ARG 16 0.704 -0.368 -5.222 152 2HD ARG 16 2HD ARG 16 -0.683 0.146 -6.182 153 HE ARG 16 HE ARG 16 -0.129 2.496 -5.470 154 1HH1 ARG 16 1HH1 ARG 16 1.983 0.984 -3.574 155 2HH1 ARG 16 2HH1 ARG 16 3.437 1.596 -4.288 156 1HH2 ARG 16 1HH2 ARG 16 1.839 2.859 -7.095 157 2HH2 ARG 16 2HH2 ARG 16 3.356 2.658 -6.284 158 QB ARG 16 QB ARG 16 -2.383 -0.853 -4.890 159 QG ARG 16 QG ARG 16 -0.906 0.559 -3.528 160 QD ARG 16 QD ARG 16 0.011 -0.111 -5.702 161 QH1 ARG 16 QH1 ARG 16 2.710 1.290 -3.931 162 QH2 ARG 16 QH2 ARG 16 2.598 2.759 -6.689 163 H VAL 17 H VAL 17 -2.239 -2.260 -0.627 164 HA VAL 17 HA VAL 17 -0.562 -3.473 0.500 165 HB VAL 17 HB VAL 17 0.998 -3.730 -2.056 166 1HG1 VAL 17 1HG1 VAL 17 0.690 -5.142 0.538 167 2HG1 VAL 17 2HG1 VAL 17 0.918 -6.169 -0.877 168 3HG1 VAL 17 3HG1 VAL 17 2.120 -4.944 -0.473 169 1HG2 VAL 17 1HG2 VAL 17 -1.764 -4.629 -1.566 170 2HG2 VAL 17 2HG2 VAL 17 -0.876 -4.503 -3.085 171 3HG2 VAL 17 3HG2 VAL 17 -0.671 -5.923 -2.058 172 MG1 VAL 17 MG1 VAL 17 1.243 -5.419 -0.271 173 MG2 VAL 17 MG2 VAL 17 -1.104 -5.019 -2.236 174 QG VAL 17 QG VAL 17 0.069 -5.219 -1.254 175 H GLY 18 H GLY 18 -0.496 -0.529 -0.124 176 1HA GLY 18 1HA GLY 18 2.370 -0.135 0.576 177 2HA GLY 18 2HA GLY 18 1.685 0.818 -0.741 178 QA GLY 18 QA GLY 18 2.027 0.342 -0.082 179 1HB PRO 19 1HB PRO 19 -0.309 0.965 5.468 180 2HB PRO 19 2HB PRO 19 -1.552 0.523 4.284 181 1HG PRO 19 2HG PRO 19 -0.463 -1.513 4.220 182 2HG PRO 19 1HG PRO 19 1.032 -0.836 4.887 183 1HD PRO 19 1HD PRO 19 1.865 -0.846 2.746 184 2HD PRO 19 2HD PRO 19 0.266 -1.223 2.068 185 QB PRO 19 QB PRO 19 -0.931 0.744 4.876 186 QG PRO 19 QG PRO 19 0.284 -1.174 4.554 187 QD PRO 19 QD PRO 19 1.066 -1.034 2.407 188 H ARG 20 H ARG 20 1.416 3.631 2.519 189 HA ARG 20 HA ARG 20 3.138 5.023 3.300 190 1HB ARG 20 1HB ARG 20 1.305 5.210 5.185 191 2HB ARG 20 2HB ARG 20 2.454 4.256 6.123 192 1HG ARG 20 1HG ARG 20 2.784 6.709 6.432 193 2HG ARG 20 2HG ARG 20 4.203 5.921 5.743 194 1HD ARG 20 1HD ARG 20 3.901 6.885 3.664 195 2HD ARG 20 2HD ARG 20 2.153 7.006 3.857 196 HE ARG 20 HE ARG 20 2.898 8.820 5.670 197 1HH1 ARG 20 1HH1 ARG 20 5.304 8.150 3.482 198 2HH1 ARG 20 2HH1 ARG 20 5.398 9.742 2.805 199 1HH2 ARG 20 1HH2 ARG 20 2.545 10.879 4.414 200 2HH2 ARG 20 2HH2 ARG 20 3.835 11.286 3.331 201 QB ARG 20 QB ARG 20 1.880 4.733 5.654 202 QG ARG 20 QG ARG 20 3.494 6.315 6.088 203 QD ARG 20 QD ARG 20 3.027 6.946 3.760 204 QH1 ARG 20 QH1 ARG 20 5.351 8.946 3.143 205 QH2 ARG 20 QH2 ARG 20 3.190 11.082 3.873 206 H THR 21 H THR 21 3.365 1.945 3.107 207 HA THR 21 HA THR 21 6.119 1.832 4.112 208 HB THR 21 HB THR 21 5.632 -0.335 5.362 209 HG1 THR 21 HG1 THR 21 3.531 -0.719 5.915 210 1HG2 THR 21 1HG2 THR 21 5.924 2.040 6.360 211 2HG2 THR 21 2HG2 THR 21 4.177 1.993 6.599 212 3HG2 THR 21 3HG2 THR 21 5.206 0.795 7.383 213 MG THR 21 MG THR 21 5.102 1.609 6.781 214 H TYR 22 H TYR 22 6.561 1.545 1.863 215 HA TYR 22 HA TYR 22 7.054 -0.951 0.841 216 1HB TYR 22 1HB TYR 22 4.180 -0.454 0.836 217 2HB TYR 22 2HB TYR 22 4.787 -0.791 -0.782 218 HD1 TYR 22 HD1 TYR 22 6.355 -2.075 2.319 219 HD2 TYR 22 HD2 TYR 22 3.814 -2.991 -1.023 220 HE1 TYR 22 HE1 TYR 22 6.497 -4.487 2.872 221 HE2 TYR 22 HE2 TYR 22 3.955 -5.404 -0.468 222 HH TYR 22 HH TYR 22 6.059 -6.572 2.139 223 QB TYR 22 QB TYR 22 4.484 -0.622 0.027 224 QD TYR 22 QD TYR 22 5.085 -2.533 0.648 225 QE TYR 22 QE TYR 22 5.226 -4.946 1.202 226 QR TYR 22 QR TYR 22 5.155 -3.739 0.925 227 H ALA 23 H ALA 23 5.599 2.171 -0.150 228 HA ALA 23 HA ALA 23 6.345 2.145 -2.845 229 1HB ALA 23 2HB ALA 23 6.745 4.628 -1.210 230 2HB ALA 23 3HB ALA 23 6.092 4.474 -2.841 231 3HB ALA 23 1HB ALA 23 5.122 3.982 -1.452 232 MB ALA 23 MB ALA 23 5.986 4.361 -1.834 233 H ASP 24 H ASP 24 8.307 2.841 -0.059 234 HA ASP 24 HA ASP 24 10.677 3.565 -1.566 235 1HB ASP 24 1HB ASP 24 9.929 3.247 1.271 236 2HB ASP 24 2HB ASP 24 11.613 2.866 0.910 237 QB ASP 24 QB ASP 24 10.771 3.057 1.091 238 H VAL 25 H VAL 25 10.239 0.813 0.690 239 HA VAL 25 HA VAL 25 12.395 -0.741 0.007 240 HB VAL 25 HB VAL 25 9.571 -1.780 0.389 241 1HG1 VAL 25 1HG1 VAL 25 12.177 -3.071 0.004 242 2HG1 VAL 25 2HG1 VAL 25 11.366 -3.581 1.486 243 3HG1 VAL 25 3HG1 VAL 25 10.558 -3.765 -0.071 244 1HG2 VAL 25 1HG2 VAL 25 11.526 -0.519 2.164 245 2HG2 VAL 25 2HG2 VAL 25 9.822 -0.877 2.450 246 3HG2 VAL 25 3HG2 VAL 25 11.043 -2.120 2.728 247 MG1 VAL 25 MG1 VAL 25 11.367 -3.472 0.473 248 MG2 VAL 25 MG2 VAL 25 10.797 -1.172 2.447 249 QG VAL 25 QG VAL 25 11.082 -2.322 1.460 250 H ARG 26 H ARG 26 9.415 -0.448 -1.874 251 HA ARG 26 HA ARG 26 10.247 -2.406 -3.887 252 1HB ARG 26 2HB ARG 26 8.264 -1.714 -5.070 253 2HB ARG 26 1HB ARG 26 8.184 -0.190 -4.189 254 1HG ARG 26 1HG ARG 26 8.178 -2.049 -2.153 255 2HG ARG 26 2HG ARG 26 6.735 -1.289 -2.826 256 1HD ARG 26 1HD ARG 26 7.154 -3.283 -4.639 257 2HD ARG 26 2HD ARG 26 7.744 -4.049 -3.165 258 HE ARG 26 HE ARG 26 5.527 -3.899 -2.241 259 1HH1 ARG 26 1HH1 ARG 26 5.085 -1.208 -3.803 260 2HH1 ARG 26 2HH1 ARG 26 3.733 -1.668 -4.784 261 1HH2 ARG 26 1HH2 ARG 26 4.112 -5.062 -4.187 262 2HH2 ARG 26 2HH2 ARG 26 3.183 -3.848 -5.001 263 QB ARG 26 QB ARG 26 8.224 -0.952 -4.630 264 QG ARG 26 QG ARG 26 7.457 -1.669 -2.489 265 QD ARG 26 QD ARG 26 7.449 -3.666 -3.902 266 QH1 ARG 26 QH1 ARG 26 4.409 -1.438 -4.293 267 QH2 ARG 26 QH2 ARG 26 3.647 -4.455 -4.594 268 H ASP 27 H ASP 27 10.084 1.239 -3.995 269 HA ASP 27 HA ASP 27 11.216 1.709 -6.513 270 1HB ASP 27 1HB ASP 27 11.558 3.030 -3.843 271 2HB ASP 27 2HB ASP 27 12.765 3.418 -5.070 272 QB ASP 27 QB ASP 27 12.162 3.224 -4.456 273 H GLU 28 H GLU 28 12.776 0.158 -3.782 274 HA GLU 28 HA GLU 28 15.352 0.128 -4.946 275 1HB GLU 28 1HB GLU 28 14.008 -1.437 -2.783 276 2HB GLU 28 2HB GLU 28 15.462 -2.114 -3.510 277 1HG GLU 28 1HG GLU 28 15.914 0.668 -2.992 278 2HG GLU 28 2HG GLU 28 15.288 -0.081 -1.522 279 QB GLU 28 QB GLU 28 14.735 -1.776 -3.146 280 QG GLU 28 QG GLU 28 15.601 0.294 -2.257 281 H ILE 29 H ILE 29 14.985 -0.284 -7.016 282 HA ILE 29 HA ILE 29 15.000 -1.843 -8.889 283 HB ILE 29 HB ILE 29 13.068 -3.477 -7.153 284 1HG1 ILE 29 1HG1 ILE 29 16.076 -3.609 -7.565 285 2HG1 ILE 29 2HG1 ILE 29 15.164 -3.754 -6.065 286 1HG2 ILE 29 1HG2 ILE 29 14.524 -4.021 -9.788 287 2HG2 ILE 29 2HG2 ILE 29 13.551 -5.206 -8.919 288 3HG2 ILE 29 3HG2 ILE 29 12.792 -3.763 -9.589 289 1HD1 ILE 29 1HD1 ILE 29 14.198 -5.921 -7.018 290 2HD1 ILE 29 2HD1 ILE 29 15.421 -5.798 -8.282 291 3HD1 ILE 29 3HD1 ILE 29 15.908 -5.965 -6.596 292 MG ILE 29 MG ILE 29 13.622 -4.330 -9.432 293 MD ILE 29 MD ILE 29 15.176 -5.895 -7.299 294 QG ILE 29 QG ILE 29 15.620 -3.682 -6.815 295 H ASN 30 H ASN 30 13.808 0.469 -9.038 296 HA ASN 30 HA ASN 30 11.783 1.706 -9.042 297 1HB ASN 30 1HB ASN 30 10.725 1.279 -11.241 298 2HB ASN 30 2HB ASN 30 12.464 1.557 -11.282 299 2HD2 ASN 30 1HD2 ASN 30 10.723 -0.014 -13.214 300 1HD2 ASN 30 2HD2 ASN 30 11.413 -1.563 -13.267 301 QB ASN 30 QB ASN 30 11.595 1.418 -11.261 302 QD ASN 30 QD ASN 30 11.068 -0.789 -13.241 303 H LYS 31 H LYS 31 11.315 -0.086 -7.150 304 HA LYS 31 HA LYS 31 9.141 -0.504 -6.124 305 1HB LYS 31 1HB LYS 31 8.228 -1.375 -8.865 306 2HB LYS 31 2HB LYS 31 7.259 -1.398 -7.401 307 1HG LYS 31 1HG LYS 31 7.344 0.996 -7.193 308 2HG LYS 31 2HG LYS 31 8.528 1.127 -8.493 309 1HD LYS 31 1HD LYS 31 6.704 -0.108 -9.917 310 2HD LYS 31 2HD LYS 31 5.602 0.463 -8.665 311 1HE LYS 31 1HE LYS 31 6.266 2.769 -9.061 312 2HE LYS 31 2HE LYS 31 7.498 2.251 -10.212 313 1HZ LYS 31 1HZ LYS 31 5.279 1.073 -11.173 314 2HZ LYS 31 2HZ LYS 31 4.651 2.529 -10.564 315 3HZ LYS 31 3HZ LYS 31 5.896 2.554 -11.718 316 QB LYS 31 QB LYS 31 7.744 -1.386 -8.133 317 QD LYS 31 QD LYS 31 6.153 0.177 -9.291 318 QG LYS 31 QG LYS 31 7.936 1.062 -7.843 319 QE LYS 31 QE LYS 31 6.882 2.510 -9.637 320 QZ LYS 31 QZ LYS 31 5.275 2.052 -11.152 321 H ARG 32 H ARG 32 11.620 -2.373 -6.644 322 HA ARG 32 HA ARG 32 10.034 -4.834 -6.072 323 1HB ARG 32 1HB ARG 32 11.481 -4.389 -8.451 324 2HB ARG 32 2HB ARG 32 12.429 -5.533 -7.499 325 1HG ARG 32 1HG ARG 32 9.472 -5.948 -7.689 326 2HG ARG 32 2HG ARG 32 10.468 -6.375 -9.081 327 1HD ARG 32 1HD ARG 32 11.617 -8.035 -7.923 328 2HD ARG 32 2HD ARG 32 11.306 -7.296 -6.351 329 HE ARG 32 HE ARG 32 9.342 -8.911 -7.904 330 1HH1 ARG 32 1HH1 ARG 32 8.851 -6.499 -5.798 331 2HH1 ARG 32 2HH1 ARG 32 8.260 -7.455 -4.480 332 1HH2 ARG 32 1HH2 ARG 32 9.211 -10.475 -5.894 333 2HH2 ARG 32 2HH2 ARG 32 8.460 -9.706 -4.536 334 QB ARG 32 QB ARG 32 11.955 -4.961 -7.975 335 QG ARG 32 QG ARG 32 9.970 -6.161 -8.385 336 QD ARG 32 QD ARG 32 11.462 -7.665 -7.137 337 QH1 ARG 32 QH1 ARG 32 8.556 -6.977 -5.139 338 QH2 ARG 32 QH2 ARG 32 8.835 -10.090 -5.215 339 H GLY 33 H GLY 33 10.634 -4.466 -3.835 340 1HA GLY 33 1HA GLY 33 13.538 -4.682 -3.230 341 2HA GLY 33 2HA GLY 33 12.282 -4.230 -2.073 342 QA GLY 33 QA GLY 33 12.910 -4.456 -2.651 343 H ARG 34 H ARG 34 13.174 -5.945 -0.667 344 HA ARG 34 HA ARG 34 11.920 -8.555 -1.315 345 1HB ARG 34 1HB ARG 34 13.970 -9.765 -0.578 346 2HB ARG 34 2HB ARG 34 14.239 -8.824 -2.046 347 1HG ARG 34 1HG ARG 34 15.301 -7.049 -0.787 348 2HG ARG 34 2HG ARG 34 14.885 -7.825 0.742 349 1HD ARG 34 1HD ARG 34 16.897 -8.846 0.633 350 2HD ARG 34 2HD ARG 34 16.225 -9.816 -0.679 351 HE ARG 34 HE ARG 34 17.055 -7.750 -2.122 352 1HH1 ARG 34 1HH1 ARG 34 18.687 -10.041 -0.329 353 2HH1 ARG 34 2HH1 ARG 34 20.221 -9.236 -0.351 354 1HH2 ARG 34 1HH2 ARG 34 18.965 -6.312 -1.729 355 2HH2 ARG 34 2HH2 ARG 34 20.378 -7.124 -1.140 356 QB ARG 34 QB ARG 34 14.104 -9.295 -1.312 357 QG ARG 34 QG ARG 34 15.093 -7.437 -0.023 358 QD ARG 34 QD ARG 34 16.561 -9.331 -0.023 359 QH1 ARG 34 QH1 ARG 34 19.454 -9.639 -0.340 360 QH2 ARG 34 QH2 ARG 34 19.672 -6.718 -1.435 No H/Q in entry = 360 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -19.237 16.280 4.102 2 H2 MET 1 H2 MET 1 -19.920 15.509 5.450 3 H3 MET 1 H3 MET 1 -18.860 16.819 5.669 4 HA MET 1 HA MET 1 -16.999 15.586 4.954 5 1HB MET 1 1HB MET 1 -17.912 15.133 7.277 6 2HB MET 1 2HB MET 1 -18.683 13.691 6.614 7 1HG MET 1 1HG MET 1 -16.729 12.548 6.524 8 2HG MET 1 2HG MET 1 -15.846 13.938 5.890 9 1HE MET 1 1HE MET 1 -15.302 11.572 8.178 10 2HE MET 1 2HE MET 1 -15.409 12.136 9.844 11 3HE MET 1 3HE MET 1 -16.883 11.842 8.909 12 QB MET 1 QB MET 1 -18.298 14.412 6.946 13 QG MET 1 QG MET 1 -16.287 13.243 6.207 14 ME MET 1 ME MET 1 -15.865 11.850 8.977 15 H SER 2 H SER 2 -19.828 13.384 4.809 16 HA SER 2 HA SER 2 -20.422 11.864 3.103 17 1HB SER 2 1HB SER 2 -19.738 12.325 0.970 18 2HB SER 2 2HB SER 2 -19.126 13.803 1.708 19 HG SER 2 HG SER 2 -17.535 12.687 0.471 20 QB SER 2 QB SER 2 -19.432 13.064 1.339 21 H TRP 3 H TRP 3 -17.914 11.754 5.124 22 HA TRP 3 HA TRP 3 -16.382 10.102 5.771 23 1HB TRP 3 1HB TRP 3 -18.116 8.203 4.180 24 2HB TRP 3 2HB TRP 3 -17.174 7.860 5.630 25 HD1 TRP 3 HD1 TRP 3 -18.028 10.217 7.470 26 HE1 TRP 3 HE1 TRP 3 -20.430 10.355 8.396 27 HE3 TRP 3 HE3 TRP 3 -20.449 7.273 4.075 28 HZ2 TRP 3 HZ2 TRP 3 -23.035 9.346 7.778 29 HZ3 TRP 3 HZ3 TRP 3 -22.887 6.876 4.266 30 HH2 TRP 3 HH2 TRP 3 -24.184 7.908 6.111 31 QB TRP 3 QB TRP 3 -17.645 8.032 4.905 32 H ALA 4 H ALA 4 -15.738 7.690 4.255 33 HA ALA 4 HA ALA 4 -14.486 6.982 2.378 34 1HB ALA 4 1HB ALA 4 -16.003 8.802 1.196 35 2HB ALA 4 2HB ALA 4 -14.509 9.738 1.201 36 3HB ALA 4 3HB ALA 4 -14.567 8.174 0.388 37 MB ALA 4 MB ALA 4 -15.026 8.905 0.929 38 H LEU 5 H LEU 5 -13.767 9.504 4.510 39 HA LEU 5 HA LEU 5 -11.001 9.873 3.545 40 1HB LEU 5 1HB LEU 5 -12.742 11.515 4.909 41 2HB LEU 5 2HB LEU 5 -11.690 10.935 6.201 42 HG LEU 5 HG LEU 5 -10.808 13.005 5.141 43 1HD1 LEU 5 1HD1 LEU 5 -9.213 10.467 4.673 44 2HD1 LEU 5 2HD1 LEU 5 -8.527 12.091 4.645 45 3HD1 LEU 5 3HD1 LEU 5 -9.218 11.452 6.136 46 1HD2 LEU 5 1HD2 LEU 5 -11.739 11.960 2.809 47 2HD2 LEU 5 2HD2 LEU 5 -10.507 13.217 2.882 48 3HD2 LEU 5 3HD2 LEU 5 -10.034 11.530 2.685 49 MD1 LEU 5 MD1 LEU 5 -8.986 11.336 5.151 50 MD2 LEU 5 MD2 LEU 5 -10.760 12.236 2.792 51 QB LEU 5 QB LEU 5 -12.216 11.225 5.555 52 QD LEU 5 QD LEU 5 -9.873 11.786 3.972 53 H GLU 6 H GLU 6 -12.696 8.448 6.341 54 HA GLU 6 HA GLU 6 -10.272 7.586 7.654 55 1HB GLU 6 1HB GLU 6 -12.479 7.859 8.807 56 2HB GLU 6 2HB GLU 6 -13.071 6.449 7.928 57 1HG GLU 6 1HG GLU 6 -11.530 4.995 9.006 58 2HG GLU 6 2HG GLU 6 -10.564 6.343 9.610 59 QB GLU 6 QB GLU 6 -12.775 7.154 8.368 60 QG GLU 6 QG GLU 6 -11.047 5.669 9.308 61 H MET 7 H MET 7 -11.731 6.561 4.812 62 HA MET 7 HA MET 7 -10.561 3.827 5.120 63 1HB MET 7 1HB MET 7 -12.086 3.263 3.147 64 2HB MET 7 2HB MET 7 -12.893 3.575 4.684 65 1HG MET 7 1HG MET 7 -13.563 5.755 4.011 66 2HG MET 7 2HG MET 7 -12.451 5.758 2.643 67 1HE MET 7 1HE MET 7 -15.496 4.906 4.269 68 2HE MET 7 2HE MET 7 -16.619 4.239 3.075 69 3HE MET 7 3HE MET 7 -15.487 3.181 3.913 70 QB MET 7 QB MET 7 -12.490 3.419 3.916 71 QG MET 7 QG MET 7 -13.007 5.756 3.327 72 ME MET 7 ME MET 7 -15.867 4.109 3.752 73 H ALA 8 H ALA 8 -10.870 6.632 3.004 74 HA ALA 8 HA ALA 8 -9.028 5.562 0.985 75 1HB ALA 8 1HB ALA 8 -10.960 6.985 0.371 76 2HB ALA 8 3HB ALA 8 -9.429 7.655 -0.192 77 3HB ALA 8 2HB ALA 8 -10.216 8.332 1.232 78 MB ALA 8 MB ALA 8 -10.202 7.658 0.471 79 H ASP 9 H ASP 9 -8.575 7.760 3.718 80 HA ASP 9 HA ASP 9 -6.615 9.398 3.052 81 1HB ASP 9 1HB ASP 9 -7.638 8.667 5.361 82 2HB ASP 9 2HB ASP 9 -6.120 7.782 5.507 83 QB ASP 9 QB ASP 9 -6.879 8.225 5.434 84 H THR 10 H THR 10 -4.493 8.177 4.789 85 HA THR 10 HA THR 10 -2.305 7.987 3.277 86 HB THR 10 HB THR 10 -2.941 6.169 5.608 87 HG1 THR 10 HG1 THR 10 -1.305 8.165 6.178 88 1HG2 THR 10 1HG2 THR 10 -0.492 6.649 3.986 89 2HG2 THR 10 2HG2 THR 10 -0.286 6.547 5.735 90 3HG2 THR 10 3HG2 THR 10 -1.003 5.200 4.851 91 MG THR 10 MG THR 10 -0.593 6.132 4.857 92 H PHE 11 H PHE 11 -3.219 7.034 1.248 93 HA PHE 11 HA PHE 11 -3.202 5.267 -0.321 94 1HB PHE 11 2HB PHE 11 -2.087 3.213 0.221 95 2HB PHE 11 1HB PHE 11 -2.115 3.596 1.938 96 HD1 PHE 11 HD1 PHE 11 -0.967 5.118 -1.303 97 HD2 PHE 11 HD2 PHE 11 -0.174 4.506 2.874 98 HE1 PHE 11 HE1 PHE 11 1.197 6.305 -1.541 99 HE2 PHE 11 HE2 PHE 11 1.990 5.694 2.636 100 HZ PHE 11 HZ PHE 11 2.676 6.594 0.429 101 QB PHE 11 QB PHE 11 -2.101 3.405 1.079 102 QD PHE 11 QD PHE 11 -0.570 4.812 0.785 103 QE PHE 11 QE PHE 11 1.594 6.000 0.548 104 QR PHE 11 QR PHE 11 0.945 5.643 0.619 105 H LEU 12 H LEU 12 -4.983 5.528 2.392 106 HA LEU 12 HA LEU 12 -6.227 2.982 2.539 107 1HB LEU 12 1HB LEU 12 -6.154 5.408 3.952 108 2HB LEU 12 2HB LEU 12 -7.801 5.305 3.377 109 HG LEU 12 HG LEU 12 -8.042 3.069 4.365 110 1HD1 LEU 12 1HD1 LEU 12 -5.102 3.407 4.650 111 2HD1 LEU 12 2HD1 LEU 12 -5.929 2.571 5.964 112 3HD1 LEU 12 3HD1 LEU 12 -6.039 1.952 4.315 113 1HD2 LEU 12 1HD2 LEU 12 -8.139 5.330 5.744 114 2HD2 LEU 12 2HD2 LEU 12 -8.237 3.777 6.574 115 3HD2 LEU 12 3HD2 LEU 12 -6.710 4.659 6.533 116 MD1 LEU 12 MD1 LEU 12 -5.690 2.644 4.976 117 MD2 LEU 12 MD2 LEU 12 -7.695 4.589 6.284 118 QB LEU 12 QB LEU 12 -6.978 5.357 3.665 119 QD LEU 12 QD LEU 12 -6.693 3.616 5.630 120 H ASP 13 H ASP 13 -6.145 5.564 0.315 121 HA ASP 13 HA ASP 13 -8.804 5.515 -0.759 122 1HB ASP 13 1HB ASP 13 -6.595 6.985 -1.273 123 2HB ASP 13 2HB ASP 13 -6.530 5.866 -2.634 124 QB ASP 13 QB ASP 13 -6.562 6.425 -1.954 125 H ASN 14 H ASN 14 -5.882 3.938 -2.113 126 HA ASN 14 HA ASN 14 -7.531 2.148 -3.727 127 1HB ASN 14 1HB ASN 14 -4.764 2.921 -3.603 128 2HB ASN 14 2HB ASN 14 -4.866 1.162 -3.527 129 2HD2 ASN 14 1HD2 ASN 14 -4.785 0.261 -5.584 130 1HD2 ASN 14 2HD2 ASN 14 -5.457 0.951 -6.982 131 QB ASN 14 QB ASN 14 -4.815 2.042 -3.565 132 QD ASN 14 QD ASN 14 -5.121 0.606 -6.283 133 H MET 15 H MET 15 -5.375 1.773 -0.915 134 HA MET 15 HA MET 15 -5.113 -0.079 0.539 135 1HB MET 15 1HB MET 15 -7.375 1.266 1.033 136 2HB MET 15 2HB MET 15 -8.088 -0.291 0.613 137 1HG MET 15 1HG MET 15 -6.052 -1.085 2.246 138 2HG MET 15 2HG MET 15 -6.474 0.468 2.969 139 1HE MET 15 1HE MET 15 -6.448 -1.612 4.554 140 2HE MET 15 2HE MET 15 -7.993 -2.103 5.262 141 3HE MET 15 3HE MET 15 -7.258 -3.071 3.987 142 QB MET 15 QB MET 15 -7.731 0.487 0.823 143 QG MET 15 QG MET 15 -6.263 -0.309 2.607 144 ME MET 15 ME MET 15 -7.233 -2.262 4.601 145 H ARG 16 H ARG 16 -4.675 -1.159 -1.861 146 HA ARG 16 HA ARG 16 -6.555 -3.458 -2.132 147 1HB ARG 16 1HB ARG 16 -4.875 -1.926 -3.994 148 2HB ARG 16 2HB ARG 16 -4.727 -3.672 -4.195 149 1HG ARG 16 1HG ARG 16 -7.197 -3.853 -4.330 150 2HG ARG 16 2HG ARG 16 -7.320 -2.099 -4.180 151 1HD ARG 16 1HD ARG 16 -5.814 -1.942 -6.229 152 2HD ARG 16 2HD ARG 16 -6.058 -3.677 -6.433 153 HE ARG 16 HE ARG 16 -8.382 -3.251 -6.944 154 1HH1 ARG 16 1HH1 ARG 16 -6.311 -0.708 -7.546 155 2HH1 ARG 16 2HH1 ARG 16 -7.536 0.514 -7.639 156 1HH2 ARG 16 1HH2 ARG 16 -10.070 -1.567 -6.509 157 2HH2 ARG 16 2HH2 ARG 16 -9.664 0.027 -7.051 158 QB ARG 16 QB ARG 16 -4.801 -2.799 -4.095 159 QG ARG 16 QG ARG 16 -7.259 -2.976 -4.255 160 QD ARG 16 QD ARG 16 -5.936 -2.809 -6.331 161 QH1 ARG 16 QH1 ARG 16 -6.924 -0.097 -7.592 162 QH2 ARG 16 QH2 ARG 16 -9.867 -0.770 -6.780 163 H VAL 17 H VAL 17 -5.125 -3.763 0.106 164 HA VAL 17 HA VAL 17 -3.784 -5.415 1.129 165 HB VAL 17 HB VAL 17 -2.823 -6.281 -1.592 166 1HG1 VAL 17 1HG1 VAL 17 -2.499 -7.190 1.064 167 2HG1 VAL 17 2HG1 VAL 17 -3.582 -8.342 0.284 168 3HG1 VAL 17 3HG1 VAL 17 -1.995 -8.012 -0.412 169 1HG2 VAL 17 1HG2 VAL 17 -5.566 -6.424 -0.457 170 2HG2 VAL 17 2HG2 VAL 17 -5.045 -6.448 -2.142 171 3HG2 VAL 17 3HG2 VAL 17 -4.942 -7.915 -1.167 172 MG1 VAL 17 MG1 VAL 17 -2.692 -7.848 0.312 173 MG2 VAL 17 MG2 VAL 17 -5.184 -6.929 -1.255 174 QG VAL 17 QG VAL 17 -3.938 -7.388 -0.472 175 H GLY 18 H GLY 18 -2.813 -2.956 1.169 176 1HA GLY 18 1HA GLY 18 -0.480 -2.274 -0.213 177 2HA GLY 18 2HA GLY 18 -0.798 -1.784 1.448 178 QA GLY 18 QA GLY 18 -0.639 -2.029 0.617 179 1HB PRO 19 1HB PRO 19 2.129 -4.362 5.296 180 2HB PRO 19 2HB PRO 19 2.795 -2.957 4.447 181 1HG PRO 19 2HG PRO 19 0.928 -1.858 5.249 182 2HG PRO 19 1HG PRO 19 0.045 -3.370 5.520 183 1HD PRO 19 1HD PRO 19 -1.096 -2.923 3.577 184 2HD PRO 19 2HD PRO 19 0.010 -1.596 3.165 185 QB PRO 19 QB PRO 19 2.462 -3.660 4.871 186 QG PRO 19 QG PRO 19 0.487 -2.614 5.384 187 QD PRO 19 QD PRO 19 -0.543 -2.260 3.371 188 H ARG 20 H ARG 20 0.065 -5.223 4.909 189 HA ARG 20 HA ARG 20 -0.958 -7.296 5.322 190 1HB ARG 20 1HB ARG 20 -1.267 -7.342 2.814 191 2HB ARG 20 2HB ARG 20 0.267 -8.206 2.701 192 1HG ARG 20 1HG ARG 20 -0.768 -10.138 3.177 193 2HG ARG 20 2HG ARG 20 -1.321 -9.471 4.713 194 1HD ARG 20 1HD ARG 20 -3.309 -8.572 3.696 195 2HD ARG 20 2HD ARG 20 -2.720 -8.952 2.078 196 HE ARG 20 HE ARG 20 -2.893 -11.329 3.719 197 1HH1 ARG 20 1HH1 ARG 20 -3.847 -10.225 0.820 198 2HH1 ARG 20 2HH1 ARG 20 -5.477 -10.808 0.877 199 1HH2 ARG 20 1HH2 ARG 20 -5.361 -11.586 4.255 200 2HH2 ARG 20 2HH2 ARG 20 -6.335 -11.578 2.822 201 QB ARG 20 QB ARG 20 -0.500 -7.774 2.758 202 QG ARG 20 QG ARG 20 -1.045 -9.805 3.945 203 QD ARG 20 QD ARG 20 -3.014 -8.762 2.887 204 QH1 ARG 20 QH1 ARG 20 -4.662 -10.517 0.849 205 QH2 ARG 20 QH2 ARG 20 -5.848 -11.582 3.539 206 H THR 21 H THR 21 2.112 -6.584 5.599 207 HA THR 21 HA THR 21 2.948 -9.375 6.288 208 HB THR 21 HB THR 21 4.731 -7.019 5.598 209 HG1 THR 21 HG1 THR 21 5.106 -8.663 3.785 210 1HG2 THR 21 1HG2 THR 21 5.735 -8.668 7.138 211 2HG2 THR 21 2HG2 THR 21 5.334 -9.961 6.007 212 3HG2 THR 21 3HG2 THR 21 6.505 -8.721 5.552 213 MG THR 21 MG THR 21 5.858 -9.117 6.232 214 H TYR 22 H TYR 22 1.945 -9.086 8.409 215 HA TYR 22 HA TYR 22 3.387 -7.131 10.155 216 1HB TYR 22 1HB TYR 22 1.209 -8.218 11.587 217 2HB TYR 22 2HB TYR 22 1.343 -6.590 10.929 218 HD1 TYR 22 HD1 TYR 22 0.475 -6.089 8.641 219 HD2 TYR 22 HD2 TYR 22 -0.174 -9.883 10.547 220 HE1 TYR 22 HE1 TYR 22 -1.330 -6.594 7.019 221 HE2 TYR 22 HE2 TYR 22 -1.980 -10.389 8.923 222 HH TYR 22 HH TYR 22 -2.479 -9.529 6.406 223 QB TYR 22 QB TYR 22 1.276 -7.404 11.258 224 QD TYR 22 QD TYR 22 0.150 -7.986 9.594 225 QE TYR 22 QE TYR 22 -1.655 -8.492 7.971 226 QR TYR 22 QR TYR 22 -0.752 -8.239 8.782 227 H ALA 23 H ALA 23 1.927 -10.410 10.393 228 HA ALA 23 HA ALA 23 3.132 -11.240 12.734 229 1HB ALA 23 3HB ALA 23 1.942 -13.028 12.022 230 2HB ALA 23 2HB ALA 23 3.409 -13.490 11.158 231 3HB ALA 23 1HB ALA 23 2.146 -12.580 10.328 232 MB ALA 23 MB ALA 23 2.499 -13.033 11.169 233 H ASP 24 H ASP 24 4.597 -10.830 9.630 234 HA ASP 24 HA ASP 24 7.120 -12.110 10.350 235 1HB ASP 24 1HB ASP 24 5.904 -10.979 7.964 236 2HB ASP 24 2HB ASP 24 7.583 -10.464 8.135 237 QB ASP 24 QB ASP 24 6.743 -10.722 8.050 238 H VAL 25 H VAL 25 6.618 -8.749 9.219 239 HA VAL 25 HA VAL 25 8.922 -7.556 10.066 240 HB VAL 25 HB VAL 25 6.144 -6.423 10.513 241 1HG1 VAL 25 1HG1 VAL 25 8.683 -5.412 11.253 242 2HG1 VAL 25 2HG1 VAL 25 8.186 -4.507 9.825 243 3HG1 VAL 25 3HG1 VAL 25 7.147 -4.547 11.249 244 1HG2 VAL 25 1HG2 VAL 25 8.038 -6.432 8.152 245 2HG2 VAL 25 2HG2 VAL 25 6.376 -7.020 8.206 246 3HG2 VAL 25 3HG2 VAL 25 6.702 -5.289 8.293 247 MG1 VAL 25 MG1 VAL 25 8.005 -4.822 10.776 248 MG2 VAL 25 MG2 VAL 25 7.039 -6.247 8.217 249 QG VAL 25 QG VAL 25 7.522 -5.534 9.496 250 H ARG 26 H ARG 26 6.122 -8.114 12.186 251 HA ARG 26 HA ARG 26 7.405 -7.156 14.587 252 1HB ARG 26 2HB ARG 26 5.540 -8.156 15.750 253 2HB ARG 26 1HB ARG 26 5.211 -9.260 14.415 254 1HG ARG 26 1HG ARG 26 4.868 -6.247 14.444 255 2HG ARG 26 2HG ARG 26 4.742 -7.224 12.983 256 1HD ARG 26 2HD ARG 26 2.996 -8.614 14.232 257 2HD ARG 26 1HD ARG 26 2.508 -6.981 13.778 258 HE ARG 26 HE ARG 26 3.610 -7.408 16.506 259 1HH1 ARG 26 1HH1 ARG 26 2.553 -5.025 16.870 260 2HH1 ARG 26 2HH1 ARG 26 0.833 -5.167 17.010 261 1HH2 ARG 26 1HH2 ARG 26 0.712 -8.331 15.599 262 2HH2 ARG 26 2HH2 ARG 26 -0.209 -7.038 16.290 263 QB ARG 26 QB ARG 26 5.375 -8.708 15.083 264 QG ARG 26 QG ARG 26 4.805 -6.736 13.714 265 QD ARG 26 QD ARG 26 2.752 -7.797 14.005 266 QH1 ARG 26 QH1 ARG 26 1.693 -5.096 16.940 267 QH2 ARG 26 QH2 ARG 26 0.251 -7.684 15.945 268 H ASP 27 H ASP 27 6.904 -10.617 13.504 269 HA ASP 27 HA ASP 27 8.392 -11.921 15.508 270 1HB ASP 27 1HB ASP 27 7.492 -13.171 13.568 271 2HB ASP 27 2HB ASP 27 8.633 -12.367 12.489 272 QB ASP 27 QB ASP 27 8.063 -12.769 13.028 273 H GLU 28 H GLU 28 9.517 -9.660 13.114 274 HA GLU 28 HA GLU 28 12.280 -10.018 13.573 275 1HB GLU 28 1HB GLU 28 10.942 -8.508 11.777 276 2HB GLU 28 2HB GLU 28 11.210 -7.291 13.026 277 1HG GLU 28 1HG GLU 28 13.338 -7.045 12.345 278 2HG GLU 28 2HG GLU 28 13.644 -8.752 12.664 279 QB GLU 28 QB GLU 28 11.076 -7.900 12.401 280 QG GLU 28 QG GLU 28 13.491 -7.898 12.504 281 H ILE 29 H ILE 29 12.330 -10.345 15.729 282 HA ILE 29 HA ILE 29 12.908 -9.466 17.932 283 HB ILE 29 HB ILE 29 10.888 -7.283 17.218 284 1HG1 ILE 29 1HG1 ILE 29 12.882 -6.970 15.864 285 2HG1 ILE 29 2HG1 ILE 29 12.976 -5.827 17.205 286 1HG2 ILE 29 1HG2 ILE 29 12.690 -7.827 19.600 287 2HG2 ILE 29 2HG2 ILE 29 12.040 -6.221 19.272 288 3HG2 ILE 29 3HG2 ILE 29 10.946 -7.569 19.586 289 1HD1 ILE 29 1HD1 ILE 29 14.179 -8.103 18.234 290 2HD1 ILE 29 2HD1 ILE 29 14.727 -8.082 16.557 291 3HD1 ILE 29 3HD1 ILE 29 15.026 -6.692 17.600 292 MG ILE 29 MG ILE 29 11.892 -7.206 19.486 293 MD ILE 29 MD ILE 29 14.644 -7.626 17.464 294 QG ILE 29 QG ILE 29 12.929 -6.398 16.534 295 H ASN 30 H ASN 30 11.450 -11.649 17.624 296 HA ASN 30 HA ASN 30 9.365 -12.730 17.847 297 1HB ASN 30 1HB ASN 30 8.882 -12.922 20.216 298 2HB ASN 30 2HB ASN 30 10.607 -13.061 19.884 299 2HD2 ASN 30 1HD2 ASN 30 11.543 -12.131 21.764 300 1HD2 ASN 30 2HD2 ASN 30 11.189 -10.567 22.321 301 QB ASN 30 QB ASN 30 9.745 -12.992 20.050 302 QD ASN 30 QD ASN 30 11.366 -11.349 22.043 303 H LYS 31 H LYS 31 8.829 -10.343 16.662 304 HA LYS 31 HA LYS 31 6.516 -9.589 16.251 305 1HB LYS 31 2HB LYS 31 5.804 -10.658 18.492 306 2HB LYS 31 1HB LYS 31 4.915 -9.270 17.887 307 1HG LYS 31 1HG LYS 31 7.171 -9.090 19.914 308 2HG LYS 31 2HG LYS 31 6.160 -7.767 19.351 309 1HD LYS 31 1HD LYS 31 5.449 -8.704 21.571 310 2HD LYS 31 2HD LYS 31 4.188 -8.752 20.337 311 1HE LYS 31 1HE LYS 31 4.655 -11.104 19.892 312 2HE LYS 31 2HE LYS 31 6.011 -11.077 21.019 313 1HZ LYS 31 1HZ LYS 31 3.226 -10.437 21.805 314 2HZ LYS 31 2HZ LYS 31 3.895 -11.989 21.936 315 3HZ LYS 31 3HZ LYS 31 4.555 -10.702 22.828 316 QB LYS 31 QB LYS 31 5.359 -9.964 18.189 317 QD LYS 31 QD LYS 31 4.818 -8.728 20.954 318 QG LYS 31 QG LYS 31 6.665 -8.429 19.632 319 QE LYS 31 QE LYS 31 5.333 -11.090 20.456 320 QZ LYS 31 QZ LYS 31 3.892 -11.042 22.190 321 H ARG 32 H ARG 32 9.298 -8.058 16.832 322 HA ARG 32 HA ARG 32 7.884 -5.441 17.097 323 1HB ARG 32 1HB ARG 32 9.472 -6.384 19.061 324 2HB ARG 32 2HB ARG 32 10.698 -5.629 18.049 325 1HG ARG 32 1HG ARG 32 9.701 -3.494 18.222 326 2HG ARG 32 2HG ARG 32 8.176 -4.163 18.805 327 1HD ARG 32 1HD ARG 32 9.333 -4.920 20.876 328 2HD ARG 32 2HD ARG 32 10.814 -4.153 20.303 329 HE ARG 32 HE ARG 32 9.861 -2.285 21.409 330 1HH1 ARG 32 1HH1 ARG 32 8.588 -1.776 18.693 331 2HH1 ARG 32 2HH1 ARG 32 6.937 -1.498 19.140 332 1HH2 ARG 32 1HH2 ARG 32 7.295 -2.853 22.314 333 2HH2 ARG 32 2HH2 ARG 32 6.204 -2.109 21.192 334 QB ARG 32 QB ARG 32 10.085 -6.007 18.555 335 QG ARG 32 QG ARG 32 8.938 -3.828 18.514 336 QD ARG 32 QD ARG 32 10.074 -4.537 20.589 337 QH1 ARG 32 QH1 ARG 32 7.762 -1.637 18.916 338 QH2 ARG 32 QH2 ARG 32 6.750 -2.481 21.753 339 H GLY 33 H GLY 33 10.824 -4.394 16.774 340 1HA GLY 33 1HA GLY 33 12.190 -3.719 14.995 341 2HA GLY 33 2HA GLY 33 11.675 -5.179 14.151 342 QA GLY 33 QA GLY 33 11.933 -4.449 14.573 343 H ARG 34 H ARG 34 11.707 -1.943 13.800 344 HA ARG 34 HA ARG 34 9.004 -1.780 12.557 345 1HB ARG 34 1HB ARG 34 10.633 0.077 13.996 346 2HB ARG 34 2HB ARG 34 10.440 0.685 12.350 347 1HG ARG 34 1HG ARG 34 7.914 -0.341 13.193 348 2HG ARG 34 2HG ARG 34 8.524 0.704 14.476 349 1HD ARG 34 2HD ARG 34 9.091 2.000 12.011 350 2HD ARG 34 1HD ARG 34 7.947 2.503 13.257 351 HE ARG 34 HE ARG 34 6.300 0.929 12.043 352 1HH1 ARG 34 1HH1 ARG 34 8.441 3.195 10.697 353 2HH1 ARG 34 2HH1 ARG 34 7.975 2.895 9.056 354 1HH2 ARG 34 1HH2 ARG 34 5.919 0.218 9.849 355 2HH2 ARG 34 2HH2 ARG 34 6.548 1.209 8.575 356 QB ARG 34 QB ARG 34 10.536 0.381 13.173 357 QG ARG 34 QG ARG 34 8.219 0.182 13.835 358 QD ARG 34 QD ARG 34 8.519 2.252 12.634 359 QH1 ARG 34 QH1 ARG 34 8.208 3.045 9.877 360 QH2 ARG 34 QH2 ARG 34 6.234 0.713 9.212 No H/Q in entry = 360 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -22.006 3.433 1.258 2 H2 MET 1 H2 MET 1 -21.266 4.016 -0.152 3 H3 MET 1 H3 MET 1 -20.842 2.489 0.459 4 HA MET 1 HA MET 1 -19.087 3.703 1.224 5 1HB MET 1 1HB MET 1 -19.464 6.073 2.102 6 2HB MET 1 2HB MET 1 -19.699 5.853 0.367 7 1HG MET 1 2HG MET 1 -22.199 5.333 1.149 8 2HG MET 1 1HG MET 1 -21.650 6.984 0.858 9 1HE MET 1 1HE MET 1 -24.057 5.758 2.627 10 2HE MET 1 2HE MET 1 -24.092 6.836 4.020 11 3HE MET 1 3HE MET 1 -23.897 7.505 2.402 12 QB MET 1 QB MET 1 -19.581 5.963 1.235 13 QG MET 1 QG MET 1 -21.924 6.158 1.004 14 ME MET 1 ME MET 1 -24.016 6.700 3.016 15 H SER 2 H SER 2 -18.438 4.319 3.504 16 HA SER 2 HA SER 2 -20.437 3.942 5.608 17 1HB SER 2 1HB SER 2 -18.267 1.861 5.199 18 2HB SER 2 2HB SER 2 -19.385 1.924 6.559 19 HG SER 2 HG SER 2 -19.815 1.217 3.896 20 QB SER 2 QB SER 2 -18.826 1.893 5.879 21 H TRP 3 H TRP 3 -19.152 6.171 5.505 22 HA TRP 3 HA TRP 3 -17.381 7.538 6.332 23 1HB TRP 3 1HB TRP 3 -19.062 6.843 8.223 24 2HB TRP 3 2HB TRP 3 -17.692 5.916 8.839 25 HD1 TRP 3 HD1 TRP 3 -15.484 7.290 9.527 26 HE1 TRP 3 HE1 TRP 3 -15.175 9.744 10.259 27 HE3 TRP 3 HE3 TRP 3 -19.920 9.253 7.931 28 HZ2 TRP 3 HZ2 TRP 3 -16.621 12.212 10.179 29 HZ3 TRP 3 HZ3 TRP 3 -20.428 11.654 8.271 30 HH2 TRP 3 HH2 TRP 3 -18.785 13.135 9.393 31 QB TRP 3 QB TRP 3 -18.377 6.380 8.531 32 H ALA 4 H ALA 4 -15.931 5.798 4.862 33 HA ALA 4 HA ALA 4 -14.027 4.419 6.677 34 1HB ALA 4 1HB ALA 4 -15.103 3.690 4.239 35 2HB ALA 4 3HB ALA 4 -13.663 2.979 4.968 36 3HB ALA 4 2HB ALA 4 -13.503 4.285 3.793 37 MB ALA 4 MB ALA 4 -14.090 3.651 4.333 38 H LEU 5 H LEU 5 -14.120 7.384 6.453 39 HA LEU 5 HA LEU 5 -12.159 8.447 4.769 40 1HB LEU 5 1HB LEU 5 -12.209 10.344 6.081 41 2HB LEU 5 2HB LEU 5 -13.695 9.574 6.612 42 HG LEU 5 HG LEU 5 -12.572 10.301 8.584 43 1HD1 LEU 5 1HD1 LEU 5 -13.029 7.560 8.097 44 2HD1 LEU 5 2HD1 LEU 5 -11.524 7.659 9.007 45 3HD1 LEU 5 3HD1 LEU 5 -12.993 8.386 9.650 46 1HD2 LEU 5 1HD2 LEU 5 -10.221 9.811 7.047 47 2HD2 LEU 5 2HD2 LEU 5 -10.352 10.613 8.612 48 3HD2 LEU 5 3HD2 LEU 5 -10.097 8.871 8.534 49 MD1 LEU 5 MD1 LEU 5 -12.515 7.869 8.918 50 MD2 LEU 5 MD2 LEU 5 -10.224 9.765 8.065 51 QB LEU 5 QB LEU 5 -12.952 9.959 6.347 52 QD LEU 5 QD LEU 5 -11.369 8.817 8.491 53 H GLU 6 H GLU 6 -11.752 6.342 7.509 54 HA GLU 6 HA GLU 6 -8.959 6.862 7.985 55 1HB GLU 6 1HB GLU 6 -10.671 5.452 9.387 56 2HB GLU 6 2HB GLU 6 -10.197 4.134 8.314 57 1HG GLU 6 1HG GLU 6 -8.143 5.818 9.751 58 2HG GLU 6 2HG GLU 6 -8.861 4.394 10.503 59 QB GLU 6 QB GLU 6 -10.434 4.793 8.850 60 QG GLU 6 QG GLU 6 -8.502 5.106 10.127 61 H MET 7 H MET 7 -10.653 4.382 6.061 62 HA MET 7 HA MET 7 -8.248 3.343 4.856 63 1HB MET 7 1HB MET 7 -11.036 2.760 4.795 64 2HB MET 7 2HB MET 7 -10.531 3.032 3.128 65 1HG MET 7 1HG MET 7 -8.738 1.393 3.361 66 2HG MET 7 2HG MET 7 -9.126 1.171 5.067 67 1HE MET 7 1HE MET 7 -8.813 -1.206 3.926 68 2HE MET 7 2HE MET 7 -9.914 -1.361 5.302 69 3HE MET 7 3HE MET 7 -10.269 -2.190 3.787 70 QB MET 7 QB MET 7 -10.783 2.896 3.961 71 QG MET 7 QG MET 7 -8.932 1.282 4.214 72 ME MET 7 ME MET 7 -9.665 -1.586 4.338 73 H ALA 8 H ALA 8 -10.890 5.037 3.189 74 HA ALA 8 HA ALA 8 -9.655 5.886 0.874 75 1HB ALA 8 1HB ALA 8 -11.724 7.081 2.639 76 2HB ALA 8 2HB ALA 8 -10.977 8.167 1.466 77 3HB ALA 8 3HB ALA 8 -11.790 6.700 0.919 78 MB ALA 8 MB ALA 8 -11.497 7.316 1.675 79 H ASP 9 H ASP 9 -8.708 7.109 4.070 80 HA ASP 9 HA ASP 9 -7.661 9.502 3.649 81 1HB ASP 9 1HB ASP 9 -7.090 7.540 5.448 82 2HB ASP 9 2HB ASP 9 -5.550 7.686 4.600 83 QB ASP 9 QB ASP 9 -6.320 7.613 5.024 84 H THR 10 H THR 10 -4.906 9.609 3.322 85 HA THR 10 HA THR 10 -4.296 10.179 0.779 86 HB THR 10 HB THR 10 -2.355 8.261 2.016 87 HG1 THR 10 HG1 THR 10 -1.856 10.427 3.213 88 1HG2 THR 10 1HG2 THR 10 -2.361 10.432 0.114 89 2HG2 THR 10 2HG2 THR 10 -1.244 10.786 1.431 90 3HG2 THR 10 3HG2 THR 10 -1.065 9.300 0.499 91 MG THR 10 MG THR 10 -1.557 10.173 0.681 92 H PHE 11 H PHE 11 -5.988 8.828 -0.286 93 HA PHE 11 HA PHE 11 -6.839 6.909 -1.323 94 1HB PHE 11 1HB PHE 11 -4.846 5.800 -2.714 95 2HB PHE 11 2HB PHE 11 -5.688 7.262 -3.222 96 HD1 PHE 11 HD1 PHE 11 -4.729 9.527 -2.293 97 HD2 PHE 11 HD2 PHE 11 -2.509 5.854 -2.459 98 HE1 PHE 11 HE1 PHE 11 -2.608 10.803 -2.151 99 HE2 PHE 11 HE2 PHE 11 -0.389 7.128 -2.319 100 HZ PHE 11 HZ PHE 11 -0.436 9.603 -2.165 101 QB PHE 11 QB PHE 11 -5.267 6.531 -2.968 102 QD PHE 11 QD PHE 11 -3.619 7.690 -2.376 103 QE PHE 11 QE PHE 11 -1.498 8.966 -2.235 104 QR PHE 11 QR PHE 11 -2.134 8.583 -2.277 105 H LEU 12 H LEU 12 -5.934 6.659 1.288 106 HA LEU 12 HA LEU 12 -4.399 4.275 1.686 107 1HB LEU 12 1HB LEU 12 -5.562 6.390 3.277 108 2HB LEU 12 2HB LEU 12 -6.041 4.835 3.955 109 HG LEU 12 HG LEU 12 -3.342 4.496 3.300 110 1HD1 LEU 12 1HD1 LEU 12 -3.925 7.297 3.752 111 2HD1 LEU 12 2HD1 LEU 12 -2.879 6.675 5.029 112 3HD1 LEU 12 3HD1 LEU 12 -2.387 6.537 3.341 113 1HD2 LEU 12 1HD2 LEU 12 -4.979 4.858 5.773 114 2HD2 LEU 12 2HD2 LEU 12 -4.010 3.477 5.264 115 3HD2 LEU 12 3HD2 LEU 12 -3.225 4.902 5.943 116 MD1 LEU 12 MD1 LEU 12 -3.064 6.836 4.041 117 MD2 LEU 12 MD2 LEU 12 -4.072 4.412 5.660 118 QB LEU 12 QB LEU 12 -5.802 5.612 3.616 119 QD LEU 12 QD LEU 12 -3.568 5.624 4.850 120 H ASP 13 H ASP 13 -7.650 5.109 0.888 121 HA ASP 13 HA ASP 13 -9.066 2.884 1.978 122 1HB ASP 13 1HB ASP 13 -10.528 4.324 0.895 123 2HB ASP 13 2HB ASP 13 -9.461 4.541 -0.492 124 QB ASP 13 QB ASP 13 -9.995 4.432 0.202 125 H ASN 14 H ASN 14 -7.768 3.024 -1.358 126 HA ASN 14 HA ASN 14 -8.089 0.279 -1.921 127 1HB ASN 14 1HB ASN 14 -7.516 1.992 -3.624 128 2HB ASN 14 2HB ASN 14 -5.895 2.112 -2.937 129 2HD2 ASN 14 1HD2 ASN 14 -4.592 1.107 -4.513 130 1HD2 ASN 14 2HD2 ASN 14 -4.857 -0.460 -5.111 131 QB ASN 14 QB ASN 14 -6.706 2.052 -3.281 132 QD ASN 14 QD ASN 14 -4.724 0.324 -4.812 133 H MET 15 H MET 15 -5.275 1.986 -0.563 134 HA MET 15 HA MET 15 -3.205 1.014 0.187 135 1HB MET 15 1HB MET 15 -4.773 1.278 2.133 136 2HB MET 15 2HB MET 15 -5.233 -0.411 1.928 137 1HG MET 15 1HG MET 15 -2.693 -0.901 2.062 138 2HG MET 15 2HG MET 15 -2.556 0.728 2.723 139 1HE MET 15 1HE MET 15 -1.726 0.515 4.580 140 2HE MET 15 2HE MET 15 -3.045 1.087 5.610 141 3HE MET 15 3HE MET 15 -2.190 -0.401 6.011 142 QB MET 15 QB MET 15 -5.003 0.434 2.030 143 QG MET 15 QG MET 15 -2.625 -0.087 2.393 144 ME MET 15 ME MET 15 -2.320 0.400 5.401 145 H ARG 16 H ARG 16 -3.831 -0.389 -2.107 146 HA ARG 16 HA ARG 16 -3.919 -3.259 -1.493 147 1HB ARG 16 1HB ARG 16 -4.881 -1.929 -3.579 148 2HB ARG 16 2HB ARG 16 -3.263 -2.215 -4.219 149 1HG ARG 16 1HG ARG 16 -3.624 -4.445 -4.471 150 2HG ARG 16 2HG ARG 16 -4.502 -4.570 -2.947 151 1HD ARG 16 2HD ARG 16 -6.363 -3.232 -4.229 152 2HD ARG 16 1HD ARG 16 -6.202 -4.967 -4.499 153 HE ARG 16 HE ARG 16 -4.917 -4.386 -6.583 154 1HH1 ARG 16 1HH1 ARG 16 -4.239 -1.711 -6.709 155 2HH1 ARG 16 2HH1 ARG 16 -5.604 -0.881 -7.379 156 1HH2 ARG 16 1HH2 ARG 16 -7.831 -3.456 -6.718 157 2HH2 ARG 16 2HH2 ARG 16 -7.637 -1.868 -7.384 158 QB ARG 16 QB ARG 16 -4.072 -2.072 -3.899 159 QG ARG 16 QG ARG 16 -4.063 -4.507 -3.709 160 QD ARG 16 QD ARG 16 -6.282 -4.099 -4.364 161 QH1 ARG 16 QH1 ARG 16 -4.921 -1.296 -7.044 162 QH2 ARG 16 QH2 ARG 16 -7.734 -2.662 -7.051 163 H VAL 17 H VAL 17 -1.750 -2.498 -0.189 164 HA VAL 17 HA VAL 17 0.508 -3.153 0.014 165 HB VAL 17 HB VAL 17 0.525 -3.937 -2.891 166 1HG1 VAL 17 1HG1 VAL 17 2.463 -4.040 -1.043 167 2HG1 VAL 17 2HG1 VAL 17 1.657 -5.560 -0.657 168 3HG1 VAL 17 3HG1 VAL 17 2.292 -5.286 -2.280 169 1HG2 VAL 17 1HG2 VAL 17 -1.226 -4.968 -0.785 170 2HG2 VAL 17 2HG2 VAL 17 -1.256 -5.284 -2.520 171 3HG2 VAL 17 3HG2 VAL 17 -0.191 -6.221 -1.471 172 MG1 VAL 17 MG1 VAL 17 2.137 -4.962 -1.327 173 MG2 VAL 17 MG2 VAL 17 -0.891 -5.491 -1.592 174 QG VAL 17 QG VAL 17 0.623 -5.227 -1.459 175 H GLY 18 H GLY 18 -0.166 -0.490 -0.542 176 1HA GLY 18 1HA GLY 18 1.515 1.275 -0.878 177 2HA GLY 18 2HA GLY 18 2.180 0.318 -2.202 178 QA GLY 18 QA GLY 18 1.848 0.796 -1.540 179 1HB PRO 19 1HB PRO 19 1.043 4.870 -5.347 180 2HB PRO 19 2HB PRO 19 0.576 5.260 -3.681 181 1HG PRO 19 2HG PRO 19 2.816 4.933 -3.210 182 2HG PRO 19 1HG PRO 19 3.078 3.981 -4.681 183 1HD PRO 19 1HD PRO 19 3.002 2.111 -3.348 184 2HD PRO 19 2HD PRO 19 2.417 3.053 -1.960 185 QB PRO 19 QB PRO 19 0.810 5.065 -4.514 186 QG PRO 19 QG PRO 19 2.947 4.457 -3.946 187 QD PRO 19 QD PRO 19 2.710 2.582 -2.654 188 H ARG 20 H ARG 20 1.469 1.159 -5.032 189 HA ARG 20 HA ARG 20 -0.047 0.858 -7.551 190 1HB ARG 20 1HB ARG 20 2.369 2.252 -7.541 191 2HB ARG 20 2HB ARG 20 2.828 0.625 -8.045 192 1HG ARG 20 2HG ARG 20 0.473 1.124 -9.453 193 2HG ARG 20 1HG ARG 20 2.108 1.194 -10.110 194 1HD ARG 20 1HD ARG 20 0.434 3.460 -9.014 195 2HD ARG 20 2HD ARG 20 2.179 3.606 -9.218 196 HE ARG 20 HE ARG 20 1.794 3.149 -11.663 197 1HH1 ARG 20 1HH1 ARG 20 -1.189 2.938 -10.190 198 2HH1 ARG 20 2HH1 ARG 20 -1.989 4.075 -11.223 199 1HH2 ARG 20 1HH2 ARG 20 0.930 5.127 -12.772 200 2HH2 ARG 20 2HH2 ARG 20 -0.790 5.312 -12.685 201 QB ARG 20 QB ARG 20 2.598 1.438 -7.793 202 QG ARG 20 QG ARG 20 1.290 1.159 -9.781 203 QD ARG 20 QD ARG 20 1.307 3.533 -9.116 204 QH1 ARG 20 QH1 ARG 20 -1.589 3.507 -10.706 205 QH2 ARG 20 QH2 ARG 20 0.070 5.219 -12.729 206 H THR 21 H THR 21 2.096 -0.987 -8.573 207 HA THR 21 HA THR 21 1.960 -3.121 -6.492 208 HB THR 21 HB THR 21 1.645 -4.095 -9.243 209 HG1 THR 21 HG1 THR 21 0.159 -2.710 -9.744 210 1HG2 THR 21 1HG2 THR 21 0.557 -4.582 -6.507 211 2HG2 THR 21 2HG2 THR 21 -0.416 -5.107 -7.880 212 3HG2 THR 21 3HG2 THR 21 1.222 -5.727 -7.671 213 MG THR 21 MG THR 21 0.454 -5.139 -7.353 214 H TYR 22 H TYR 22 3.666 -1.627 -9.148 215 HA TYR 22 HA TYR 22 5.813 -3.692 -9.000 216 1HB TYR 22 1HB TYR 22 5.240 -1.467 -10.986 217 2HB TYR 22 2HB TYR 22 6.633 -2.539 -11.070 218 HD1 TYR 22 HD1 TYR 22 6.268 -5.036 -11.266 219 HD2 TYR 22 HD2 TYR 22 3.112 -2.169 -11.784 220 HE1 TYR 22 HE1 TYR 22 4.901 -6.749 -12.424 221 HE2 TYR 22 HE2 TYR 22 1.744 -3.884 -12.943 222 HH TYR 22 HH TYR 22 2.122 -6.977 -12.735 223 QB TYR 22 QB TYR 22 5.936 -2.003 -11.028 224 QD TYR 22 QD TYR 22 4.690 -3.603 -11.525 225 QE TYR 22 QE TYR 22 3.323 -5.317 -12.684 226 QR TYR 22 QR TYR 22 4.006 -4.460 -12.104 227 H ALA 23 H ALA 23 5.311 -0.126 -8.683 228 HA ALA 23 HA ALA 23 6.876 1.427 -7.764 229 1HB ALA 23 3HB ALA 23 6.490 0.587 -5.619 230 2HB ALA 23 2HB ALA 23 8.211 0.251 -5.810 231 3HB ALA 23 1HB ALA 23 7.029 -1.031 -6.067 232 MB ALA 23 MB ALA 23 7.243 -0.064 -5.832 233 H ASP 24 H ASP 24 7.503 0.250 -10.106 234 HA ASP 24 HA ASP 24 9.342 -0.102 -11.549 235 1HB ASP 24 1HB ASP 24 10.485 1.278 -9.235 236 2HB ASP 24 2HB ASP 24 11.628 0.140 -9.949 237 QB ASP 24 QB ASP 24 11.056 0.709 -9.592 238 H VAL 25 H VAL 25 8.045 -2.146 -10.166 239 HA VAL 25 HA VAL 25 8.224 -4.318 -9.312 240 HB VAL 25 HB VAL 25 8.979 -4.777 -11.577 241 1HG1 VAL 25 1HG1 VAL 25 11.692 -3.918 -10.533 242 2HG1 VAL 25 2HG1 VAL 25 11.453 -4.761 -12.063 243 3HG1 VAL 25 3HG1 VAL 25 10.760 -3.158 -11.823 244 1HG2 VAL 25 1HG2 VAL 25 9.229 -6.484 -9.659 245 2HG2 VAL 25 2HG2 VAL 25 10.114 -6.812 -11.148 246 3HG2 VAL 25 3HG2 VAL 25 10.956 -6.143 -9.750 247 MG1 VAL 25 MG1 VAL 25 11.302 -3.945 -11.473 248 MG2 VAL 25 MG2 VAL 25 10.100 -6.480 -10.186 249 QG VAL 25 QG VAL 25 10.701 -5.213 -10.829 250 H ARG 26 H ARG 26 9.616 -1.998 -8.148 251 HA ARG 26 HA ARG 26 11.962 -3.066 -6.702 252 1HB ARG 26 1HB ARG 26 11.319 -0.539 -7.537 253 2HB ARG 26 2HB ARG 26 10.637 -0.490 -5.909 254 1HG ARG 26 1HG ARG 26 12.699 -0.419 -4.962 255 2HG ARG 26 2HG ARG 26 13.316 -1.702 -6.002 256 1HD ARG 26 1HD ARG 26 12.807 0.807 -7.435 257 2HD ARG 26 2HD ARG 26 14.024 0.964 -6.168 258 HE ARG 26 HE ARG 26 14.611 -1.387 -7.650 259 1HH1 ARG 26 1HH1 ARG 26 13.716 0.803 -9.692 260 2HH1 ARG 26 2HH1 ARG 26 15.266 1.419 -10.161 261 1HH2 ARG 26 1HH2 ARG 26 16.950 -0.067 -7.518 262 2HH2 ARG 26 2HH2 ARG 26 17.098 0.925 -8.930 263 QB ARG 26 QB ARG 26 10.978 -0.515 -6.723 264 QG ARG 26 QG ARG 26 13.008 -1.061 -5.482 265 QD ARG 26 QD ARG 26 13.415 0.886 -6.802 266 QH1 ARG 26 QH1 ARG 26 14.491 1.111 -9.926 267 QH2 ARG 26 QH2 ARG 26 17.024 0.429 -8.224 268 H ASP 27 H ASP 27 8.863 -1.533 -5.730 269 HA ASP 27 HA ASP 27 8.781 -2.442 -3.041 270 1HB ASP 27 1HB ASP 27 6.916 -1.142 -4.176 271 2HB ASP 27 2HB ASP 27 6.411 -2.638 -4.962 272 QB ASP 27 QB ASP 27 6.663 -1.890 -4.569 273 H GLU 28 H GLU 28 8.628 -4.305 -5.965 274 HA GLU 28 HA GLU 28 7.798 -6.752 -4.859 275 1HB GLU 28 1HB GLU 28 8.263 -6.044 -7.388 276 2HB GLU 28 2HB GLU 28 9.873 -6.658 -7.010 277 1HG GLU 28 1HG GLU 28 8.249 -8.622 -5.968 278 2HG GLU 28 2HG GLU 28 7.355 -8.125 -7.406 279 QB GLU 28 QB GLU 28 9.068 -6.351 -7.199 280 QG GLU 28 QG GLU 28 7.802 -8.374 -6.687 281 H ILE 29 H ILE 29 8.774 -6.706 -2.900 282 HA ILE 29 HA ILE 29 10.490 -7.607 -1.438 283 HB ILE 29 HB ILE 29 12.436 -6.677 -3.610 284 1HG1 ILE 29 1HG1 ILE 29 11.072 -9.345 -3.087 285 2HG1 ILE 29 2HG1 ILE 29 11.301 -8.515 -4.620 286 1HG2 ILE 29 1HG2 ILE 29 12.706 -8.394 -1.095 287 2HG2 ILE 29 2HG2 ILE 29 13.995 -8.158 -2.273 288 3HG2 ILE 29 3HG2 ILE 29 13.386 -6.787 -1.344 289 1HD1 ILE 29 1HD1 ILE 29 13.847 -8.869 -4.164 290 2HD1 ILE 29 2HD1 ILE 29 13.304 -10.089 -3.015 291 3HD1 ILE 29 3HD1 ILE 29 12.892 -10.239 -4.723 292 MG ILE 29 MG ILE 29 13.362 -7.780 -1.571 293 MD ILE 29 MD ILE 29 13.347 -9.732 -3.967 294 QG ILE 29 QG ILE 29 11.187 -8.930 -3.853 295 H ASN 30 H ASN 30 9.235 -5.388 -0.842 296 HA ASN 30 HA ASN 30 9.281 -3.035 -0.594 297 1HB ASN 30 1HB ASN 30 11.051 -2.625 1.245 298 2HB ASN 30 2HB ASN 30 9.655 -3.653 1.567 299 2HD2 ASN 30 1HD2 ASN 30 12.845 -4.209 -0.049 300 1HD2 ASN 30 2HD2 ASN 30 13.217 -5.607 0.840 301 QB ASN 30 QB ASN 30 10.353 -3.139 1.406 302 QD ASN 30 QD ASN 30 13.031 -4.908 0.396 303 H LYS 31 H LYS 31 10.528 -3.505 -2.937 304 HA LYS 31 HA LYS 31 11.712 -1.827 -4.271 305 1HB LYS 31 2HB LYS 31 13.631 -0.607 -3.402 306 2HB LYS 31 1HB LYS 31 13.533 -1.491 -1.888 307 1HG LYS 31 1HG LYS 31 10.939 -0.483 -2.338 308 2HG LYS 31 2HG LYS 31 12.108 0.107 -1.156 309 1HD LYS 31 1HD LYS 31 13.092 1.583 -2.898 310 2HD LYS 31 2HD LYS 31 11.857 1.034 -4.031 311 1HE LYS 31 1HE LYS 31 10.130 1.816 -2.320 312 2HE LYS 31 2HE LYS 31 11.463 2.619 -1.487 313 1HZ LYS 31 1HZ LYS 31 11.974 3.713 -3.657 314 2HZ LYS 31 2HZ LYS 31 10.503 3.102 -4.249 315 3HZ LYS 31 3HZ LYS 31 10.506 4.191 -2.948 316 QB LYS 31 QB LYS 31 13.582 -1.049 -2.645 317 QD LYS 31 QD LYS 31 12.474 1.308 -3.465 318 QG LYS 31 QG LYS 31 11.523 -0.188 -1.747 319 QE LYS 31 QE LYS 31 10.796 2.218 -1.903 320 QZ LYS 31 QZ LYS 31 10.995 3.669 -3.618 321 H ARG 32 H ARG 32 12.122 -4.843 -4.033 322 HA ARG 32 HA ARG 32 14.870 -4.753 -5.179 323 1HB ARG 32 1HB ARG 32 14.304 -5.840 -2.643 324 2HB ARG 32 2HB ARG 32 14.504 -7.213 -3.728 325 1HG ARG 32 1HG ARG 32 16.585 -5.802 -4.583 326 2HG ARG 32 2HG ARG 32 16.480 -5.104 -2.966 327 1HD ARG 32 1HD ARG 32 17.198 -7.015 -1.965 328 2HD ARG 32 2HD ARG 32 16.234 -8.040 -3.028 329 HE ARG 32 HE ARG 32 18.213 -7.214 -4.713 330 1HH1 ARG 32 1HH1 ARG 32 19.998 -6.635 -2.427 331 2HH1 ARG 32 2HH1 ARG 32 20.768 -8.161 -2.144 332 1HH2 ARG 32 1HH2 ARG 32 18.433 -9.977 -3.950 333 2HH2 ARG 32 2HH2 ARG 32 19.881 -10.050 -3.004 334 QB ARG 32 QB ARG 32 14.404 -6.526 -3.186 335 QG ARG 32 QG ARG 32 16.532 -5.453 -3.774 336 QD ARG 32 QD ARG 32 16.716 -7.528 -2.496 337 QH1 ARG 32 QH1 ARG 32 20.383 -7.398 -2.286 338 QH2 ARG 32 QH2 ARG 32 19.157 -10.013 -3.477 339 H GLY 33 H GLY 33 13.852 -5.027 -7.255 340 1HA GLY 33 1HA GLY 33 12.142 -7.384 -7.685 341 2HA GLY 33 2HA GLY 33 12.603 -6.198 -8.906 342 QA GLY 33 QA GLY 33 12.373 -6.791 -8.295 343 H ARG 34 H ARG 34 13.421 -7.608 -10.465 344 HA ARG 34 HA ARG 34 16.011 -8.877 -9.780 345 1HB ARG 34 1HB ARG 34 13.727 -10.368 -11.108 346 2HB ARG 34 2HB ARG 34 15.361 -10.993 -10.880 347 1HG ARG 34 1HG ARG 34 15.119 -10.837 -8.453 348 2HG ARG 34 2HG ARG 34 13.520 -10.114 -8.637 349 1HD ARG 34 1HD ARG 34 13.470 -12.478 -10.174 350 2HD ARG 34 2HD ARG 34 14.256 -12.909 -8.655 351 HE ARG 34 HE ARG 34 12.209 -11.837 -7.540 352 1HH1 ARG 34 1HH1 ARG 34 11.715 -11.819 -10.831 353 2HH1 ARG 34 2HH1 ARG 34 10.233 -12.715 -10.806 354 1HH2 ARG 34 1HH2 ARG 34 10.489 -13.557 -7.452 355 2HH2 ARG 34 2HH2 ARG 34 9.538 -13.699 -8.894 356 QB ARG 34 QB ARG 34 14.544 -10.680 -10.994 357 QG ARG 34 QG ARG 34 14.320 -10.475 -8.545 358 QD ARG 34 QD ARG 34 13.863 -12.694 -9.415 359 QH1 ARG 34 QH1 ARG 34 10.974 -12.267 -10.818 360 QH2 ARG 34 QH2 ARG 34 10.013 -13.628 -8.173 No H/Q in entry = 360 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -20.667 7.418 3.052 2 H2 MET 1 H2 MET 1 -22.253 7.866 2.651 3 H3 MET 1 H3 MET 1 -21.702 6.297 2.305 4 HA MET 1 HA MET 1 -20.809 6.902 0.379 5 1HB MET 1 1HB MET 1 -22.907 8.671 1.015 6 2HB MET 1 2HB MET 1 -21.631 9.678 0.327 7 1HG MET 1 1HG MET 1 -21.725 7.344 -1.263 8 2HG MET 1 2HG MET 1 -23.401 7.839 -1.019 9 1HE MET 1 1HE MET 1 -24.452 8.852 -2.326 10 2HE MET 1 2HE MET 1 -24.172 10.390 -3.139 11 3HE MET 1 3HE MET 1 -23.697 8.874 -3.917 12 QB MET 1 QB MET 1 -22.269 9.175 0.671 13 QG MET 1 QG MET 1 -22.563 7.592 -1.141 14 ME MET 1 ME MET 1 -24.107 9.372 -3.127 15 H SER 2 H SER 2 -20.203 9.272 2.927 16 HA SER 2 HA SER 2 -17.422 9.524 1.943 17 1HB SER 2 1HB SER 2 -19.454 11.633 1.768 18 2HB SER 2 2HB SER 2 -18.009 12.137 2.639 19 HG SER 2 HG SER 2 -18.321 11.943 0.048 20 QB SER 2 QB SER 2 -18.731 11.885 2.203 21 H TRP 3 H TRP 3 -17.867 8.094 4.104 22 HA TRP 3 HA TRP 3 -17.558 9.939 6.433 23 1HB TRP 3 1HB TRP 3 -19.230 7.707 6.075 24 2HB TRP 3 2HB TRP 3 -17.936 7.142 7.130 25 HD1 TRP 3 HD1 TRP 3 -18.224 7.671 9.594 26 HE1 TRP 3 HE1 TRP 3 -19.632 9.330 10.975 27 HE3 TRP 3 HE3 TRP 3 -20.379 10.355 5.821 28 HZ2 TRP 3 HZ2 TRP 3 -21.435 11.508 10.539 29 HZ3 TRP 3 HZ3 TRP 3 -21.937 12.213 6.332 30 HH2 TRP 3 HH2 TRP 3 -22.466 12.793 8.683 31 QB TRP 3 QB TRP 3 -18.583 7.425 6.603 32 H ALA 4 H ALA 4 -16.236 8.426 8.243 33 HA ALA 4 HA ALA 4 -13.982 7.947 8.785 34 1HB ALA 4 1HB ALA 4 -14.582 5.978 6.559 35 2HB ALA 4 3HB ALA 4 -14.883 5.738 8.280 36 3HB ALA 4 2HB ALA 4 -13.228 5.844 7.681 37 MB ALA 4 MB ALA 4 -14.231 5.853 7.507 38 H LEU 5 H LEU 5 -14.206 10.130 6.852 39 HA LEU 5 HA LEU 5 -12.759 10.067 4.530 40 1HB LEU 5 1HB LEU 5 -12.268 12.109 6.718 41 2HB LEU 5 2HB LEU 5 -11.967 12.332 5.000 42 HG LEU 5 HG LEU 5 -14.033 13.328 5.106 43 1HD1 LEU 5 1HD1 LEU 5 -14.172 11.062 3.806 44 2HD1 LEU 5 2HD1 LEU 5 -15.183 10.547 5.157 45 3HD1 LEU 5 3HD1 LEU 5 -15.662 11.930 4.173 46 1HD2 LEU 5 1HD2 LEU 5 -14.054 12.100 7.670 47 2HD2 LEU 5 2HD2 LEU 5 -15.101 13.392 7.081 48 3HD2 LEU 5 3HD2 LEU 5 -15.590 11.707 6.895 49 MD1 LEU 5 MD1 LEU 5 -15.006 11.180 4.379 50 MD2 LEU 5 MD2 LEU 5 -14.915 12.400 7.215 51 QB LEU 5 QB LEU 5 -12.117 12.220 5.859 52 QD LEU 5 QD LEU 5 -14.960 11.790 5.797 53 H GLU 6 H GLU 6 -11.296 10.100 7.790 54 HA GLU 6 HA GLU 6 -8.584 10.119 6.966 55 1HB GLU 6 1HB GLU 6 -9.542 10.327 9.342 56 2HB GLU 6 2HB GLU 6 -9.593 8.564 9.351 57 1HG GLU 6 1HG GLU 6 -7.225 8.400 9.052 58 2HG GLU 6 2HG GLU 6 -7.087 10.117 8.675 59 QB GLU 6 QB GLU 6 -9.568 9.446 9.347 60 QG GLU 6 QG GLU 6 -7.156 9.259 8.863 61 H MET 7 H MET 7 -10.390 7.224 8.064 62 HA MET 7 HA MET 7 -8.512 5.320 7.165 63 1HB MET 7 1HB MET 7 -10.918 5.202 8.459 64 2HB MET 7 2HB MET 7 -11.340 4.519 6.887 65 1HG MET 7 1HG MET 7 -9.155 3.115 7.193 66 2HG MET 7 2HG MET 7 -9.335 3.526 8.898 67 1HE MET 7 1HE MET 7 -9.780 1.049 6.457 68 2HE MET 7 2HE MET 7 -11.411 0.384 6.503 69 3HE MET 7 3HE MET 7 -11.127 1.950 5.747 70 QB MET 7 QB MET 7 -11.129 4.861 7.673 71 QG MET 7 QG MET 7 -9.245 3.321 8.045 72 ME MET 7 ME MET 7 -10.773 1.128 6.236 73 H ALA 8 H ALA 8 -11.610 5.991 5.495 74 HA ALA 8 HA ALA 8 -11.199 4.672 3.126 75 1HB ALA 8 3HB ALA 8 -13.178 5.718 2.846 76 2HB ALA 8 2HB ALA 8 -12.250 7.087 2.232 77 3HB ALA 8 1HB ALA 8 -12.721 7.031 3.931 78 MB ALA 8 MB ALA 8 -12.716 6.612 3.003 79 H ASP 9 H ASP 9 -9.600 7.660 4.108 80 HA ASP 9 HA ASP 9 -8.512 8.303 1.521 81 1HB ASP 9 1HB ASP 9 -8.640 9.762 3.672 82 2HB ASP 9 2HB ASP 9 -7.130 8.966 4.115 83 QB ASP 9 QB ASP 9 -7.885 9.364 3.893 84 H THR 10 H THR 10 -6.676 7.122 4.358 85 HA THR 10 HA THR 10 -4.363 6.325 3.038 86 HB THR 10 HB THR 10 -4.378 4.422 4.876 87 HG1 THR 10 HG1 THR 10 -6.144 4.390 5.975 88 1HG2 THR 10 1HG2 THR 10 -3.608 7.119 4.783 89 2HG2 THR 10 2HG2 THR 10 -4.450 6.936 6.322 90 3HG2 THR 10 3HG2 THR 10 -3.067 5.907 5.945 91 MG THR 10 MG THR 10 -3.709 6.654 5.683 92 H PHE 11 H PHE 11 -7.459 4.651 3.141 93 HA PHE 11 HA PHE 11 -6.454 2.172 2.031 94 1HB PHE 11 1HB PHE 11 -8.639 2.513 3.329 95 2HB PHE 11 2HB PHE 11 -9.298 3.180 1.835 96 HD1 PHE 11 HD1 PHE 11 -6.851 0.384 2.245 97 HD2 PHE 11 HD2 PHE 11 -10.837 1.531 1.124 98 HE1 PHE 11 HE1 PHE 11 -7.273 -1.907 1.400 99 HE2 PHE 11 HE2 PHE 11 -11.258 -0.763 0.281 100 HZ PHE 11 HZ PHE 11 -9.476 -2.482 0.419 101 QB PHE 11 QB PHE 11 -8.969 2.847 2.582 102 QD PHE 11 QD PHE 11 -8.844 0.957 1.684 103 QE PHE 11 QE PHE 11 -9.266 -1.335 0.841 104 QR PHE 11 QR PHE 11 -9.139 -0.648 1.094 105 H LEU 12 H LEU 12 -7.953 5.085 0.663 106 HA LEU 12 HA LEU 12 -8.125 4.095 -2.030 107 1HB LEU 12 1HB LEU 12 -8.870 6.430 -0.695 108 2HB LEU 12 2HB LEU 12 -7.641 6.968 -1.839 109 HG LEU 12 HG LEU 12 -9.133 5.225 -3.366 110 1HD1 LEU 12 1HD1 LEU 12 -10.721 5.896 -1.098 111 2HD1 LEU 12 2HD1 LEU 12 -11.386 6.762 -2.482 112 3HD1 LEU 12 3HD1 LEU 12 -11.213 5.009 -2.541 113 1HD2 LEU 12 1HD2 LEU 12 -8.812 8.136 -3.052 114 2HD2 LEU 12 2HD2 LEU 12 -8.755 7.152 -4.513 115 3HD2 LEU 12 3HD2 LEU 12 -10.309 7.667 -3.858 116 MD1 LEU 12 MD1 LEU 12 -11.107 5.889 -2.040 117 MD2 LEU 12 MD2 LEU 12 -9.292 7.652 -3.808 118 QB LEU 12 QB LEU 12 -8.256 6.699 -1.267 119 QD LEU 12 QD LEU 12 -10.199 6.770 -2.924 120 H ASP 13 H ASP 13 -5.556 5.595 -0.154 121 HA ASP 13 HA ASP 13 -3.819 6.194 -2.371 122 1HB ASP 13 1HB ASP 13 -3.764 6.723 0.316 123 2HB ASP 13 2HB ASP 13 -2.531 5.467 0.185 124 QB ASP 13 QB ASP 13 -3.147 6.095 0.250 125 H ASN 14 H ASN 14 -4.016 3.397 -0.152 126 HA ASN 14 HA ASN 14 -2.334 1.894 -2.120 127 1HB ASN 14 1HB ASN 14 -2.416 1.879 0.880 128 2HB ASN 14 2HB ASN 14 -1.969 0.400 0.029 129 2HD2 ASN 14 1HD2 ASN 14 0.162 1.113 1.322 130 1HD2 ASN 14 2HD2 ASN 14 1.256 2.054 0.428 131 QB ASN 14 QB ASN 14 -2.192 1.139 0.454 132 QD ASN 14 QD ASN 14 0.709 1.584 0.875 133 H MET 15 H MET 15 -5.255 2.190 -2.194 134 HA MET 15 HA MET 15 -6.741 0.113 -1.099 135 1HB MET 15 1HB MET 15 -6.941 1.797 -3.466 136 2HB MET 15 2HB MET 15 -7.631 0.195 -3.732 137 1HG MET 15 1HG MET 15 -8.778 0.563 -1.420 138 2HG MET 15 2HG MET 15 -8.416 2.268 -1.695 139 1HE MET 15 1HE MET 15 -10.604 -0.139 -1.575 140 2HE MET 15 2HE MET 15 -12.018 0.374 -2.505 141 3HE MET 15 3HE MET 15 -10.887 -0.792 -3.186 142 QB MET 15 QB MET 15 -7.286 0.996 -3.599 143 QG MET 15 QG MET 15 -8.597 1.416 -1.558 144 ME MET 15 ME MET 15 -11.170 -0.185 -2.422 145 H ARG 16 H ARG 16 -6.001 -0.277 -4.459 146 HA ARG 16 HA ARG 16 -5.548 -2.274 -5.646 147 1HB ARG 16 1HB ARG 16 -3.345 -1.587 -3.834 148 2HB ARG 16 2HB ARG 16 -3.352 -3.288 -4.301 149 1HG ARG 16 2HG ARG 16 -3.834 -2.222 -6.711 150 2HG ARG 16 1HG ARG 16 -2.192 -2.435 -6.102 151 1HD ARG 16 2HD ARG 16 -3.790 0.096 -5.642 152 2HD ARG 16 1HD ARG 16 -2.742 -0.122 -7.043 153 HE ARG 16 HE ARG 16 -1.653 -0.371 -4.271 154 1HH1 ARG 16 1HH1 ARG 16 -0.875 -0.107 -7.511 155 2HH1 ARG 16 2HH1 ARG 16 0.279 1.171 -7.319 156 1HH2 ARG 16 1HH2 ARG 16 -0.500 1.734 -3.988 157 2HH2 ARG 16 2HH2 ARG 16 0.492 2.212 -5.325 158 QB ARG 16 QB ARG 16 -3.348 -2.437 -4.068 159 QG ARG 16 QG ARG 16 -3.013 -2.328 -6.407 160 QD ARG 16 QD ARG 16 -3.266 -0.013 -6.343 161 QH1 ARG 16 QH1 ARG 16 -0.298 0.532 -7.415 162 QH2 ARG 16 QH2 ARG 16 -0.004 1.973 -4.657 163 H VAL 17 H VAL 17 -7.626 -2.809 -3.956 164 HA VAL 17 HA VAL 17 -8.627 -4.459 -2.588 165 HB VAL 17 HB VAL 17 -8.565 -5.538 -4.785 166 1HG1 VAL 17 1HG1 VAL 17 -5.794 -6.391 -3.905 167 2HG1 VAL 17 2HG1 VAL 17 -6.645 -7.105 -5.275 168 3HG1 VAL 17 3HG1 VAL 17 -6.211 -5.396 -5.300 169 1HG2 VAL 17 1HG2 VAL 17 -9.141 -6.796 -2.561 170 2HG2 VAL 17 2HG2 VAL 17 -8.929 -7.734 -4.040 171 3HG2 VAL 17 3HG2 VAL 17 -7.627 -7.651 -2.855 172 MG1 VAL 17 MG1 VAL 17 -6.217 -6.297 -4.827 173 MG2 VAL 17 MG2 VAL 17 -8.566 -7.394 -3.152 174 QG VAL 17 QG VAL 17 -7.391 -6.845 -3.989 175 H GLY 18 H GLY 18 -6.851 -3.475 -0.941 176 1HA GLY 18 1HA GLY 18 -5.843 -5.800 0.510 177 2HA GLY 18 2HA GLY 18 -4.560 -4.765 -0.121 178 QA GLY 18 QA GLY 18 -5.201 -5.282 0.195 179 1HB PRO 19 1HB PRO 19 -8.386 -3.961 4.990 180 2HB PRO 19 2HB PRO 19 -9.139 -3.297 3.530 181 1HG PRO 19 2HG PRO 19 -9.479 -5.511 2.962 182 2HG PRO 19 1HG PRO 19 -8.216 -6.083 4.064 183 1HD PRO 19 1HD PRO 19 -6.860 -6.297 2.221 184 2HD PRO 19 2HD PRO 19 -8.020 -5.424 1.196 185 QB PRO 19 QB PRO 19 -8.762 -3.629 4.260 186 QG PRO 19 QG PRO 19 -8.847 -5.797 3.513 187 QD PRO 19 QD PRO 19 -7.440 -5.861 1.709 188 H ARG 20 H ARG 20 -7.099 -2.850 5.947 189 HA ARG 20 HA ARG 20 -5.651 -3.067 7.778 190 1HB ARG 20 1HB ARG 20 -4.642 -5.320 6.020 191 2HB ARG 20 2HB ARG 20 -4.058 -5.035 7.660 192 1HG ARG 20 1HG ARG 20 -6.164 -5.498 8.622 193 2HG ARG 20 2HG ARG 20 -7.006 -5.298 7.085 194 1HD ARG 20 2HD ARG 20 -5.280 -7.307 6.450 195 2HD ARG 20 1HD ARG 20 -6.924 -7.577 7.030 196 HE ARG 20 HE ARG 20 -5.558 -7.444 9.375 197 1HH1 ARG 20 1HH1 ARG 20 -3.317 -8.180 7.236 198 2HH1 ARG 20 2HH1 ARG 20 -3.163 -9.869 7.588 199 1HH2 ARG 20 1HH2 ARG 20 -6.067 -10.012 9.477 200 2HH2 ARG 20 2HH2 ARG 20 -4.720 -10.906 8.858 201 QB ARG 20 QB ARG 20 -4.350 -5.177 6.840 202 QG ARG 20 QG ARG 20 -6.585 -5.398 7.854 203 QD ARG 20 QD ARG 20 -6.102 -7.442 6.740 204 QH1 ARG 20 QH1 ARG 20 -3.240 -9.024 7.412 205 QH2 ARG 20 QH2 ARG 20 -5.393 -10.459 9.168 206 H THR 21 H THR 21 -3.102 -4.218 5.674 207 HA THR 21 HA THR 21 -1.063 -3.233 5.065 208 HB THR 21 HB THR 21 -2.028 -0.460 5.159 209 HG1 THR 21 HG1 THR 21 -3.496 -0.939 3.371 210 1HG2 THR 21 1HG2 THR 21 -0.171 -1.907 3.756 211 2HG2 THR 21 2HG2 THR 21 -1.489 -1.797 2.589 212 3HG2 THR 21 3HG2 THR 21 -0.784 -0.328 3.264 213 MG THR 21 MG THR 21 -0.815 -1.344 3.203 214 H TYR 22 H TYR 22 0.028 -0.739 5.787 215 HA TYR 22 HA TYR 22 -0.163 0.192 8.391 216 1HB TYR 22 1HB TYR 22 0.672 -2.572 8.371 217 2HB TYR 22 2HB TYR 22 1.961 -1.565 9.028 218 HD1 TYR 22 HD1 TYR 22 0.966 0.440 10.603 219 HD2 TYR 22 HD2 TYR 22 -0.848 -3.392 9.921 220 HE1 TYR 22 HE1 TYR 22 -0.283 0.653 12.736 221 HE2 TYR 22 HE2 TYR 22 -2.097 -3.181 12.052 222 HH TYR 22 HH TYR 22 -2.246 -0.220 13.811 223 QB TYR 22 QB TYR 22 1.316 -2.069 8.700 224 QD TYR 22 QD TYR 22 0.059 -1.476 10.262 225 QE TYR 22 QE TYR 22 -1.190 -1.264 12.394 226 QR TYR 22 QR TYR 22 -0.566 -1.370 11.328 227 H ALA 23 H ALA 23 2.328 -1.164 6.200 228 HA ALA 23 HA ALA 23 4.535 0.302 6.892 229 1HB ALA 23 1HB ALA 23 3.503 -0.756 4.365 230 2HB ALA 23 2HB ALA 23 4.596 0.613 4.156 231 3HB ALA 23 3HB ALA 23 5.138 -0.824 5.025 232 MB ALA 23 MB ALA 23 4.412 -0.322 4.515 233 H ASP 24 H ASP 24 1.755 1.525 5.188 234 HA ASP 24 HA ASP 24 2.866 4.175 4.763 235 1HB ASP 24 1HB ASP 24 0.461 4.753 4.186 236 2HB ASP 24 2HB ASP 24 1.176 3.461 3.221 237 QB ASP 24 QB ASP 24 0.819 4.107 3.704 238 H VAL 25 H VAL 25 0.221 2.988 6.911 239 HA VAL 25 HA VAL 25 -0.276 5.340 8.313 240 HB VAL 25 HB VAL 25 -0.034 2.575 9.543 241 1HG1 VAL 25 1HG1 VAL 25 -0.263 4.830 10.940 242 2HG1 VAL 25 2HG1 VAL 25 -1.952 4.681 10.457 243 3HG1 VAL 25 3HG1 VAL 25 -1.182 3.391 11.382 244 1HG2 VAL 25 1HG2 VAL 25 -1.634 3.237 7.448 245 2HG2 VAL 25 2HG2 VAL 25 -2.094 2.061 8.680 246 3HG2 VAL 25 3HG2 VAL 25 -2.666 3.726 8.793 247 MG1 VAL 25 MG1 VAL 25 -1.133 4.301 10.926 248 MG2 VAL 25 MG2 VAL 25 -2.131 3.008 8.307 249 QG VAL 25 QG VAL 25 -1.632 3.654 9.617 250 H ARG 26 H ARG 26 2.141 2.884 9.222 251 HA ARG 26 HA ARG 26 3.396 4.400 11.296 252 1HB ARG 26 2HB ARG 26 5.195 2.827 11.120 253 2HB ARG 26 1HB ARG 26 4.869 2.518 9.415 254 1HG ARG 26 1HG ARG 26 2.829 1.346 9.948 255 2HG ARG 26 2HG ARG 26 4.089 0.699 10.997 256 1HD ARG 26 1HD ARG 26 2.004 2.768 11.744 257 2HD ARG 26 2HD ARG 26 2.109 1.111 12.341 258 HE ARG 26 HE ARG 26 3.920 3.337 13.100 259 1HH1 ARG 26 1HH1 ARG 26 5.430 0.759 12.893 260 2HH1 ARG 26 2HH1 ARG 26 5.256 0.107 14.489 261 1HH2 ARG 26 1HH2 ARG 26 2.616 2.189 15.340 262 2HH2 ARG 26 2HH2 ARG 26 3.663 0.916 15.873 263 QB ARG 26 QB ARG 26 5.032 2.673 10.267 264 QG ARG 26 QG ARG 26 3.459 1.022 10.473 265 QD ARG 26 QD ARG 26 2.056 1.939 12.043 266 QH1 ARG 26 QH1 ARG 26 5.343 0.433 13.691 267 QH2 ARG 26 QH2 ARG 26 3.140 1.552 15.606 268 H ASP 27 H ASP 27 4.592 4.105 7.859 269 HA ASP 27 HA ASP 27 6.645 6.011 7.926 270 1HB ASP 27 1HB ASP 27 4.636 5.218 5.869 271 2HB ASP 27 2HB ASP 27 5.344 6.817 5.638 272 QB ASP 27 QB ASP 27 4.990 6.017 5.754 273 H GLU 28 H GLU 28 3.231 6.566 8.358 274 HA GLU 28 HA GLU 28 3.303 9.377 8.238 275 1HB GLU 28 1HB GLU 28 1.231 7.741 8.476 276 2HB GLU 28 2HB GLU 28 1.560 7.926 10.199 277 1HG GLU 28 1HG GLU 28 1.204 10.278 10.121 278 2HG GLU 28 2HG GLU 28 1.267 10.304 8.358 279 QB GLU 28 QB GLU 28 1.396 7.834 9.337 280 QG GLU 28 QG GLU 28 1.235 10.291 9.240 281 H ILE 29 H ILE 29 5.218 9.848 9.162 282 HA ILE 29 HA ILE 29 6.449 10.718 11.074 283 HB ILE 29 HB ILE 29 5.027 8.484 12.607 284 1HG1 ILE 29 1HG1 ILE 29 4.371 11.405 12.145 285 2HG1 ILE 29 2HG1 ILE 29 3.282 10.022 12.203 286 1HG2 ILE 29 1HG2 ILE 29 7.243 9.179 13.488 287 2HG2 ILE 29 2HG2 ILE 29 6.715 10.862 13.514 288 3HG2 ILE 29 3HG2 ILE 29 5.951 9.680 14.577 289 1HD1 ILE 29 1HD1 ILE 29 4.333 10.016 14.746 290 2HD1 ILE 29 2HD1 ILE 29 4.251 11.741 14.389 291 3HD1 ILE 29 3HD1 ILE 29 2.793 10.751 14.298 292 MG ILE 29 MG ILE 29 6.636 9.907 13.860 293 MD ILE 29 MD ILE 29 3.792 10.836 14.478 294 QG ILE 29 QG ILE 29 3.827 10.714 12.174 295 H ASN 30 H ASN 30 7.652 9.395 9.166 296 HA ASN 30 HA ASN 30 8.720 7.407 8.442 297 1HB ASN 30 1HB ASN 30 10.721 7.330 10.320 298 2HB ASN 30 2HB ASN 30 10.700 8.286 8.841 299 2HD2 ASN 30 1HD2 ASN 30 11.317 8.641 12.064 300 1HD2 ASN 30 2HD2 ASN 30 10.831 10.252 12.284 301 QB ASN 30 QB ASN 30 10.710 7.808 9.581 302 QD ASN 30 QD ASN 30 11.074 9.447 12.174 303 H LYS 31 H LYS 31 6.586 6.474 9.741 304 HA LYS 31 HA LYS 31 6.185 4.156 10.370 305 1HB LYS 31 2HB LYS 31 7.688 2.893 11.769 306 2HB LYS 31 1HB LYS 31 8.695 4.311 12.027 307 1HG LYS 31 1HG LYS 31 8.279 3.898 9.194 308 2HG LYS 31 2HG LYS 31 9.798 3.911 10.093 309 1HD LYS 31 1HD LYS 31 8.695 1.495 10.836 310 2HD LYS 31 2HD LYS 31 8.207 1.628 9.147 311 1HE LYS 31 1HE LYS 31 10.278 0.924 8.601 312 2HE LYS 31 2HE LYS 31 10.869 2.484 9.170 313 1HZ LYS 31 1HZ LYS 31 10.368 0.738 11.347 314 2HZ LYS 31 2HZ LYS 31 11.427 0.008 10.240 315 3HZ LYS 31 3HZ LYS 31 11.810 1.521 10.910 316 QB LYS 31 QB LYS 31 8.192 3.602 11.898 317 QD LYS 31 QD LYS 31 8.451 1.561 9.992 318 QG LYS 31 QG LYS 31 9.038 3.905 9.643 319 QE LYS 31 QE LYS 31 10.574 1.704 8.885 320 QZ LYS 31 QZ LYS 31 11.202 0.756 10.833 321 H ARG 32 H ARG 32 5.362 6.817 11.739 322 HA ARG 32 HA ARG 32 4.535 5.452 14.245 323 1HB ARG 32 1HB ARG 32 6.499 7.568 14.113 324 2HB ARG 32 2HB ARG 32 5.085 8.098 15.026 325 1HG ARG 32 2HG ARG 32 5.532 5.470 15.882 326 2HG ARG 32 1HG ARG 32 5.908 6.942 16.779 327 1HD ARG 32 1HD ARG 32 7.931 6.397 14.761 328 2HD ARG 32 2HD ARG 32 8.126 6.627 16.498 329 HE ARG 32 HE ARG 32 7.582 4.007 15.178 330 1HH1 ARG 32 1HH1 ARG 32 7.343 5.483 18.176 331 2HH1 ARG 32 2HH1 ARG 32 8.363 4.360 19.010 332 1HH2 ARG 32 1HH2 ARG 32 9.393 2.741 16.123 333 2HH2 ARG 32 2HH2 ARG 32 9.524 2.808 17.849 334 QB ARG 32 QB ARG 32 5.792 7.833 14.570 335 QG ARG 32 QG ARG 32 5.720 6.206 16.331 336 QD ARG 32 QD ARG 32 8.028 6.512 15.629 337 QH1 ARG 32 QH1 ARG 32 7.853 4.922 18.593 338 QH2 ARG 32 QH2 ARG 32 9.459 2.774 16.986 339 H GLY 33 H GLY 33 2.560 5.506 12.761 340 1HA GLY 33 1HA GLY 33 1.247 8.186 12.787 341 2HA GLY 33 2HA GLY 33 0.769 6.840 11.752 342 QA GLY 33 QA GLY 33 1.008 7.513 12.269 343 H ARG 34 H ARG 34 -1.273 6.299 12.398 344 HA ARG 34 HA ARG 34 -1.748 4.970 14.862 345 1HB ARG 34 2HB ARG 34 -1.499 7.224 15.847 346 2HB ARG 34 1HB ARG 34 -3.152 6.631 16.027 347 1HG ARG 34 1HG ARG 34 -2.313 8.354 13.688 348 2HG ARG 34 2HG ARG 34 -3.946 8.019 14.264 349 1HD ARG 34 1HD ARG 34 -3.341 10.250 14.987 350 2HD ARG 34 2HD ARG 34 -3.362 9.200 16.404 351 HE ARG 34 HE ARG 34 -0.861 9.121 16.226 352 1HH1 ARG 34 1HH1 ARG 34 -1.556 10.678 13.456 353 2HH1 ARG 34 2HH1 ARG 34 -0.710 12.148 13.803 354 1HH2 ARG 34 1HH2 ARG 34 -0.228 11.395 17.152 355 2HH2 ARG 34 2HH2 ARG 34 0.040 12.555 15.894 356 QB ARG 34 QB ARG 34 -2.325 6.927 15.937 357 QG ARG 34 QG ARG 34 -3.129 8.187 13.976 358 QD ARG 34 QD ARG 34 -3.352 9.725 15.696 359 QH1 ARG 34 QH1 ARG 34 -1.133 11.413 13.630 360 QH2 ARG 34 QH2 ARG 34 -0.094 11.975 16.523 No H/Q in entry = 360 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -15.261 13.909 6.213 2 H2 MET 1 H2 MET 1 -16.813 14.533 5.927 3 H3 MET 1 H3 MET 1 -15.441 15.420 5.457 4 HA MET 1 HA MET 1 -14.998 16.159 7.539 5 1HB MET 1 2HB MET 1 -17.034 16.856 8.565 6 2HB MET 1 1HB MET 1 -17.907 15.448 7.958 7 1HG MET 1 1HG MET 1 -16.870 17.814 6.379 8 2HG MET 1 2HG MET 1 -17.397 16.317 5.611 9 1HE MET 1 1HE MET 1 -17.916 18.899 8.025 10 2HE MET 1 2HE MET 1 -19.278 19.777 7.334 11 3HE MET 1 3HE MET 1 -19.546 18.659 8.669 12 QB MET 1 QB MET 1 -17.471 16.152 8.262 13 QG MET 1 QG MET 1 -17.133 17.065 5.995 14 ME MET 1 ME MET 1 -18.913 19.112 8.009 15 H SER 2 H SER 2 -17.312 13.488 8.152 16 HA SER 2 HA SER 2 -15.336 12.257 9.977 17 1HB SER 2 1HB SER 2 -17.473 12.041 11.590 18 2HB SER 2 2HB SER 2 -16.348 13.391 11.702 19 HG SER 2 HG SER 2 -18.890 13.551 11.276 20 QB SER 2 QB SER 2 -16.910 12.716 11.646 21 H TRP 3 H TRP 3 -17.074 11.785 7.415 22 HA TRP 3 HA TRP 3 -18.572 9.368 8.214 23 1HB TRP 3 1HB TRP 3 -18.107 10.647 5.501 24 2HB TRP 3 2HB TRP 3 -19.159 9.262 5.798 25 HD1 TRP 3 HD1 TRP 3 -18.981 13.012 6.135 26 HE1 TRP 3 HE1 TRP 3 -21.246 13.907 6.980 27 HE3 TRP 3 HE3 TRP 3 -21.273 8.611 7.340 28 HZ2 TRP 3 HZ2 TRP 3 -23.705 12.890 8.028 29 HZ3 TRP 3 HZ3 TRP 3 -23.574 8.602 8.258 30 HH2 TRP 3 HH2 TRP 3 -24.792 10.734 8.604 31 QB TRP 3 QB TRP 3 -18.633 9.954 5.649 32 H ALA 4 H ALA 4 -15.940 8.935 8.856 33 HA ALA 4 HA ALA 4 -14.205 7.392 8.502 34 1HB ALA 4 2HB ALA 4 -15.429 6.112 6.150 35 2HB ALA 4 1HB ALA 4 -16.487 6.171 7.561 36 3HB ALA 4 3HB ALA 4 -14.905 5.398 7.674 37 MB ALA 4 MB ALA 4 -15.607 5.894 7.128 38 H LEU 5 H LEU 5 -14.275 9.973 7.043 39 HA LEU 5 HA LEU 5 -13.245 9.423 4.362 40 1HB LEU 5 1HB LEU 5 -14.097 11.737 5.882 41 2HB LEU 5 2HB LEU 5 -12.541 12.046 5.113 42 HG LEU 5 HG LEU 5 -14.954 10.920 3.665 43 1HD1 LEU 5 1HD1 LEU 5 -13.869 13.740 3.876 44 2HD1 LEU 5 2HD1 LEU 5 -14.985 13.228 2.610 45 3HD1 LEU 5 3HD1 LEU 5 -15.487 13.180 4.300 46 1HD2 LEU 5 1HD2 LEU 5 -12.571 10.450 2.828 47 2HD2 LEU 5 2HD2 LEU 5 -13.665 11.219 1.679 48 3HD2 LEU 5 3HD2 LEU 5 -12.453 12.183 2.522 49 MD1 LEU 5 MD1 LEU 5 -14.780 13.383 3.595 50 MD2 LEU 5 MD2 LEU 5 -12.896 11.284 2.343 51 QB LEU 5 QB LEU 5 -13.319 11.892 5.497 52 QD LEU 5 QD LEU 5 -13.838 12.333 2.969 53 H GLU 6 H GLU 6 -11.827 10.740 7.375 54 HA GLU 6 HA GLU 6 -9.153 10.885 6.461 55 1HB GLU 6 1HB GLU 6 -10.363 10.476 9.195 56 2HB GLU 6 2HB GLU 6 -8.615 10.538 8.968 57 1HG GLU 6 1HG GLU 6 -8.656 12.765 8.241 58 2HG GLU 6 2HG GLU 6 -10.362 12.689 7.798 59 QB GLU 6 QB GLU 6 -9.489 10.507 9.081 60 QG GLU 6 QG GLU 6 -9.509 12.727 8.019 61 H MET 7 H MET 7 -10.978 8.140 7.759 62 HA MET 7 HA MET 7 -8.629 6.410 7.854 63 1HB MET 7 2HB MET 7 -10.126 4.692 8.547 64 2HB MET 7 1HB MET 7 -11.516 5.514 7.838 65 1HG MET 7 1HG MET 7 -9.878 6.784 10.037 66 2HG MET 7 2HG MET 7 -11.513 7.191 9.517 67 1HE MET 7 1HE MET 7 -13.521 6.232 10.118 68 2HE MET 7 2HE MET 7 -13.226 4.687 9.328 69 3HE MET 7 3HE MET 7 -13.830 4.721 10.982 70 QB MET 7 QB MET 7 -10.821 5.103 8.193 71 QG MET 7 QG MET 7 -10.696 6.987 9.777 72 ME MET 7 ME MET 7 -13.525 5.213 10.143 73 H ALA 8 H ALA 8 -11.575 6.447 5.806 74 HA ALA 8 HA ALA 8 -10.883 4.439 4.004 75 1HB ALA 8 3HB ALA 8 -13.026 5.514 3.806 76 2HB ALA 8 2HB ALA 8 -12.171 5.792 2.289 77 3HB ALA 8 1HB ALA 8 -12.276 7.079 3.490 78 MB ALA 8 MB ALA 8 -12.491 6.128 3.195 79 H ASP 9 H ASP 9 -9.642 7.748 4.145 80 HA ASP 9 HA ASP 9 -8.375 7.997 1.678 81 1HB ASP 9 1HB ASP 9 -8.261 9.349 4.089 82 2HB ASP 9 2HB ASP 9 -6.613 8.751 3.900 83 QB ASP 9 QB ASP 9 -7.437 9.050 3.995 84 H THR 10 H THR 10 -7.059 6.354 4.573 85 HA THR 10 HA THR 10 -4.592 5.524 3.579 86 HB THR 10 HB THR 10 -6.373 3.636 5.123 87 HG1 THR 10 HG1 THR 10 -5.965 4.816 6.924 88 1HG2 THR 10 1HG2 THR 10 -3.408 4.261 5.190 89 2HG2 THR 10 2HG2 THR 10 -4.222 3.085 6.221 90 3HG2 THR 10 3HG2 THR 10 -4.147 2.827 4.477 91 MG THR 10 MG THR 10 -3.926 3.391 5.296 92 H PHE 11 H PHE 11 -7.709 3.806 3.184 93 HA PHE 11 HA PHE 11 -6.697 1.688 1.578 94 1HB PHE 11 2HB PHE 11 -9.008 1.334 0.884 95 2HB PHE 11 1HB PHE 11 -9.446 2.960 1.404 96 HD1 PHE 11 HD1 PHE 11 -7.231 0.465 3.092 97 HD2 PHE 11 HD2 PHE 11 -10.944 2.622 3.194 98 HE1 PHE 11 HE1 PHE 11 -7.660 -0.378 5.384 99 HE2 PHE 11 HE2 PHE 11 -11.373 1.778 5.485 100 HZ PHE 11 HZ PHE 11 -9.731 0.277 6.581 101 QB PHE 11 QB PHE 11 -9.227 2.147 1.144 102 QD PHE 11 QD PHE 11 -9.088 1.544 3.143 103 QE PHE 11 QE PHE 11 -9.517 0.700 5.435 104 QR PHE 11 QR PHE 11 -9.388 0.953 4.747 105 H LEU 12 H LEU 12 -8.217 4.769 0.575 106 HA LEU 12 HA LEU 12 -7.884 4.374 -2.221 107 1HB LEU 12 1HB LEU 12 -8.178 6.826 -0.494 108 2HB LEU 12 2HB LEU 12 -7.930 6.969 -2.235 109 HG LEU 12 HG LEU 12 -10.081 5.197 -1.068 110 1HD1 LEU 12 1HD1 LEU 12 -10.149 8.143 -1.737 111 2HD1 LEU 12 2HD1 LEU 12 -11.607 7.151 -1.746 112 3HD1 LEU 12 3HD1 LEU 12 -10.684 7.348 -0.255 113 1HD2 LEU 12 1HD2 LEU 12 -9.142 5.122 -3.525 114 2HD2 LEU 12 2HD2 LEU 12 -10.885 5.077 -3.261 115 3HD2 LEU 12 3HD2 LEU 12 -10.103 6.585 -3.735 116 MD1 LEU 12 MD1 LEU 12 -10.813 7.547 -1.246 117 MD2 LEU 12 MD2 LEU 12 -10.043 5.595 -3.507 118 QB LEU 12 QB LEU 12 -8.054 6.898 -1.365 119 QD LEU 12 QD LEU 12 -10.428 6.571 -2.377 120 H ASP 13 H ASP 13 -5.538 4.917 0.193 121 HA ASP 13 HA ASP 13 -3.616 6.439 -1.305 122 1HB ASP 13 1HB ASP 13 -3.522 5.984 1.179 123 2HB ASP 13 2HB ASP 13 -3.035 4.332 0.798 124 QB ASP 13 QB ASP 13 -3.278 5.158 0.989 125 H ASN 14 H ASN 14 -3.623 2.936 -0.598 126 HA ASN 14 HA ASN 14 -2.241 2.526 -3.218 127 1HB ASN 14 1HB ASN 14 -1.433 0.375 -2.199 128 2HB ASN 14 2HB ASN 14 -0.841 1.814 -1.369 129 2HD2 ASN 14 1HD2 ASN 14 -2.514 -1.146 -0.913 130 1HD2 ASN 14 2HD2 ASN 14 -3.077 -0.852 0.661 131 QB ASN 14 QB ASN 14 -1.137 1.095 -1.784 132 QD ASN 14 QD ASN 14 -2.795 -0.999 -0.126 133 H MET 15 H MET 15 -4.709 1.179 -1.024 134 HA MET 15 HA MET 15 -6.403 -0.392 -1.435 135 1HB MET 15 2HB MET 15 -7.181 1.778 -2.515 136 2HB MET 15 1HB MET 15 -7.937 0.310 -3.124 137 1HG MET 15 1HG MET 15 -6.061 2.178 -4.477 138 2HG MET 15 2HG MET 15 -5.840 0.465 -4.827 139 1HE MET 15 1HE MET 15 -6.801 3.303 -5.986 140 2HE MET 15 2HE MET 15 -6.961 2.353 -7.462 141 3HE MET 15 3HE MET 15 -8.344 3.260 -6.836 142 QB MET 15 QB MET 15 -7.559 1.044 -2.819 143 QG MET 15 QG MET 15 -5.951 1.322 -4.652 144 ME MET 15 ME MET 15 -7.369 2.972 -6.761 145 H ARG 16 H ARG 16 -3.653 -1.085 -2.510 146 HA ARG 16 HA ARG 16 -4.389 -2.729 -4.867 147 1HB ARG 16 1HB ARG 16 -2.021 -1.438 -4.082 148 2HB ARG 16 2HB ARG 16 -1.699 -3.157 -3.848 149 1HG ARG 16 1HG ARG 16 -2.272 -3.663 -6.123 150 2HG ARG 16 2HG ARG 16 -2.923 -2.045 -6.383 151 1HD ARG 16 1HD ARG 16 -0.589 -2.450 -7.321 152 2HD ARG 16 2HD ARG 16 -0.749 -1.051 -6.259 153 HE ARG 16 HE ARG 16 0.004 -3.355 -4.719 154 1HH1 ARG 16 1HH1 ARG 16 1.089 -0.371 -5.399 155 2HH1 ARG 16 2HH1 ARG 16 2.763 -0.773 -5.593 156 1HH2 ARG 16 1HH2 ARG 16 2.206 -4.195 -5.672 157 2HH2 ARG 16 2HH2 ARG 16 3.396 -2.937 -5.749 158 QB ARG 16 QB ARG 16 -1.860 -2.298 -3.965 159 QG ARG 16 QG ARG 16 -2.597 -2.854 -6.253 160 QD ARG 16 QD ARG 16 -0.669 -1.750 -6.790 161 QH1 ARG 16 QH1 ARG 16 1.926 -0.572 -5.496 162 QH2 ARG 16 QH2 ARG 16 2.801 -3.566 -5.711 163 H VAL 17 H VAL 17 -5.228 -3.106 -1.945 164 HA VAL 17 HA VAL 17 -4.965 -6.006 -1.932 165 HB VAL 17 HB VAL 17 -3.603 -4.327 0.180 166 1HG1 VAL 17 1HG1 VAL 17 -5.041 -6.748 0.518 167 2HG1 VAL 17 2HG1 VAL 17 -3.329 -7.168 0.564 168 3HG1 VAL 17 3HG1 VAL 17 -3.972 -5.963 1.680 169 1HG2 VAL 17 1HG2 VAL 17 -2.729 -6.292 -1.924 170 2HG2 VAL 17 2HG2 VAL 17 -2.040 -4.720 -1.521 171 3HG2 VAL 17 3HG2 VAL 17 -1.771 -6.099 -0.456 172 MG1 VAL 17 MG1 VAL 17 -4.114 -6.626 0.921 173 MG2 VAL 17 MG2 VAL 17 -2.180 -5.704 -1.300 174 QG VAL 17 QG VAL 17 -3.147 -6.165 -0.190 175 H GLY 18 H GLY 18 -5.508 -3.477 0.476 176 1HA GLY 18 1HA GLY 18 -7.716 -4.754 1.737 177 2HA GLY 18 2HA GLY 18 -7.366 -3.030 1.839 178 QA GLY 18 QA GLY 18 -7.541 -3.892 1.788 179 1HB PRO 19 1HB PRO 19 -12.425 -5.735 -0.828 180 2HB PRO 19 2HB PRO 19 -10.991 -6.196 -1.761 181 1HG PRO 19 2HG PRO 19 -10.498 -7.524 0.064 182 2HG PRO 19 1HG PRO 19 -11.548 -6.590 1.142 183 1HD PRO 19 1HD PRO 19 -9.642 -5.586 1.942 184 2HD PRO 19 2HD PRO 19 -8.658 -6.287 0.641 185 QB PRO 19 QB PRO 19 -11.708 -5.965 -1.294 186 QG PRO 19 QG PRO 19 -11.023 -7.057 0.603 187 QD PRO 19 QD PRO 19 -9.150 -5.936 1.291 188 H ARG 20 H ARG 20 -12.527 -2.783 -1.801 189 HA ARG 20 HA ARG 20 -13.152 -1.097 0.429 190 1HB ARG 20 1HB ARG 20 -13.590 -0.686 -2.082 191 2HB ARG 20 2HB ARG 20 -15.042 -1.660 -1.856 192 1HG ARG 20 2HG ARG 20 -15.108 0.100 0.292 193 2HG ARG 20 1HG ARG 20 -16.052 0.247 -1.190 194 1HD ARG 20 1HD ARG 20 -13.828 1.354 -2.110 195 2HD ARG 20 2HD ARG 20 -14.971 2.306 -1.162 196 HE ARG 20 HE ARG 20 -13.452 2.207 0.705 197 1HH1 ARG 20 1HH1 ARG 20 -11.911 0.321 1.434 198 2HH1 ARG 20 2HH1 ARG 20 -10.497 0.223 0.438 199 1HH2 ARG 20 1HH2 ARG 20 -11.839 2.155 -2.110 200 2HH2 ARG 20 2HH2 ARG 20 -10.457 1.261 -1.570 201 QB ARG 20 QB ARG 20 -14.316 -1.173 -1.969 202 QG ARG 20 QG ARG 20 -15.580 0.174 -0.449 203 QD ARG 20 QD ARG 20 -14.400 1.830 -1.636 204 QH1 ARG 20 QH1 ARG 20 -11.204 0.272 0.936 205 QH2 ARG 20 QH2 ARG 20 -11.148 1.708 -1.840 206 H THR 21 H THR 21 -15.156 -3.665 -1.079 207 HA THR 21 HA THR 21 -15.878 -4.952 1.331 208 HB THR 21 HB THR 21 -17.078 -3.194 2.236 209 HG1 THR 21 HG1 THR 21 -18.606 -4.764 1.972 210 1HG2 THR 21 1HG2 THR 21 -17.246 -2.325 -0.599 211 2HG2 THR 21 2HG2 THR 21 -18.559 -1.806 0.456 212 3HG2 THR 21 3HG2 THR 21 -16.893 -1.382 0.849 213 MG THR 21 MG THR 21 -17.566 -1.838 0.235 214 H TYR 22 H TYR 22 -16.704 -6.877 0.663 215 HA TYR 22 HA TYR 22 -18.826 -7.240 -1.168 216 1HB TYR 22 1HB TYR 22 -16.599 -6.410 -2.557 217 2HB TYR 22 2HB TYR 22 -16.465 -8.166 -2.667 218 HD1 TYR 22 HD1 TYR 22 -19.233 -5.622 -2.767 219 HD2 TYR 22 HD2 TYR 22 -17.454 -9.101 -4.552 220 HE1 TYR 22 HE1 TYR 22 -21.015 -5.649 -4.492 221 HE2 TYR 22 HE2 TYR 22 -19.236 -9.129 -6.275 222 HH TYR 22 HH TYR 22 -22.074 -7.282 -6.012 223 QB TYR 22 QB TYR 22 -16.532 -7.288 -2.612 224 QD TYR 22 QD TYR 22 -18.343 -7.361 -3.659 225 QE TYR 22 QE TYR 22 -20.125 -7.389 -5.383 226 QR TYR 22 QR TYR 22 -19.234 -7.375 -4.521 227 H ALA 23 H ALA 23 -15.651 -8.848 -0.950 228 HA ALA 23 HA ALA 23 -15.822 -11.405 -1.010 229 1HB ALA 23 1HB ALA 23 -14.465 -9.782 0.803 230 2HB ALA 23 3HB ALA 23 -14.148 -11.487 0.477 231 3HB ALA 23 2HB ALA 23 -15.229 -11.025 1.793 232 MB ALA 23 MB ALA 23 -14.614 -10.764 1.024 233 H ASP 24 H ASP 24 -17.228 -10.075 1.925 234 HA ASP 24 HA ASP 24 -18.598 -12.423 2.720 235 1HB ASP 24 1HB ASP 24 -18.773 -9.538 3.373 236 2HB ASP 24 2HB ASP 24 -20.226 -10.481 3.706 237 QB ASP 24 QB ASP 24 -19.499 -10.010 3.540 238 H VAL 25 H VAL 25 -20.227 -9.534 1.373 239 HA VAL 25 HA VAL 25 -22.677 -10.668 0.760 240 HB VAL 25 HB VAL 25 -21.243 -8.799 -1.140 241 1HG1 VAL 25 1HG1 VAL 25 -23.826 -9.892 -1.104 242 2HG1 VAL 25 2HG1 VAL 25 -24.021 -8.253 -0.481 243 3HG1 VAL 25 3HG1 VAL 25 -23.281 -8.514 -2.061 244 1HG2 VAL 25 1HG2 VAL 25 -22.357 -8.352 1.619 245 2HG2 VAL 25 2HG2 VAL 25 -20.876 -7.716 0.903 246 3HG2 VAL 25 3HG2 VAL 25 -22.440 -7.057 0.424 247 MG1 VAL 25 MG1 VAL 25 -23.709 -8.886 -1.215 248 MG2 VAL 25 MG2 VAL 25 -21.891 -7.708 0.982 249 QG VAL 25 QG VAL 25 -22.800 -8.297 -0.117 250 H ARG 26 H ARG 26 -19.861 -10.597 -1.454 251 HA ARG 26 HA ARG 26 -20.920 -11.982 -3.618 252 1HB ARG 26 1HB ARG 26 -18.444 -11.125 -3.012 253 2HB ARG 26 2HB ARG 26 -18.213 -12.852 -2.732 254 1HG ARG 26 1HG ARG 26 -19.002 -13.370 -4.976 255 2HG ARG 26 2HG ARG 26 -19.394 -11.675 -5.264 256 1HD ARG 26 1HD ARG 26 -17.188 -11.062 -5.523 257 2HD ARG 26 2HD ARG 26 -16.603 -12.312 -4.426 258 HE ARG 26 HE ARG 26 -17.691 -13.182 -7.047 259 1HH1 ARG 26 1HH1 ARG 26 -16.332 -15.331 -6.029 260 2HH1 ARG 26 2HH1 ARG 26 -14.660 -15.121 -6.431 261 1HH2 ARG 26 1HH2 ARG 26 -14.971 -11.730 -7.087 262 2HH2 ARG 26 2HH2 ARG 26 -13.890 -13.082 -7.030 263 QB ARG 26 QB ARG 26 -18.329 -11.989 -2.872 264 QG ARG 26 QG ARG 26 -19.198 -12.523 -5.120 265 QD ARG 26 QD ARG 26 -16.895 -11.687 -4.974 266 QH1 ARG 26 QH1 ARG 26 -15.496 -15.226 -6.230 267 QH2 ARG 26 QH2 ARG 26 -14.431 -12.406 -7.059 268 H ASP 27 H ASP 27 -19.371 -13.504 -0.762 269 HA ASP 27 HA ASP 27 -19.869 -16.188 -1.552 270 1HB ASP 27 1HB ASP 27 -18.349 -15.723 0.278 271 2HB ASP 27 2HB ASP 27 -19.639 -14.965 1.212 272 QB ASP 27 QB ASP 27 -18.994 -15.344 0.745 273 H GLU 28 H GLU 28 -21.922 -13.851 0.139 274 HA GLU 28 HA GLU 28 -23.971 -15.668 0.930 275 1HB GLU 28 1HB GLU 28 -24.216 -12.759 0.093 276 2HB GLU 28 2HB GLU 28 -25.450 -13.674 0.957 277 1HG GLU 28 1HG GLU 28 -22.823 -13.863 2.231 278 2HG GLU 28 2HG GLU 28 -23.408 -12.202 2.131 279 QB GLU 28 QB GLU 28 -24.833 -13.216 0.525 280 QG GLU 28 QG GLU 28 -23.116 -13.033 2.181 281 H ILE 29 H ILE 29 -23.249 -14.144 -2.172 282 HA ILE 29 HA ILE 29 -25.775 -14.910 -3.367 283 HB ILE 29 HB ILE 29 -23.332 -14.518 -5.046 284 1HG1 ILE 29 1HG1 ILE 29 -24.672 -12.417 -3.322 285 2HG1 ILE 29 2HG1 ILE 29 -22.954 -12.805 -3.415 286 1HG2 ILE 29 1HG2 ILE 29 -26.219 -13.598 -5.169 287 2HG2 ILE 29 2HG2 ILE 29 -24.993 -13.183 -6.366 288 3HG2 ILE 29 3HG2 ILE 29 -25.474 -14.865 -6.143 289 1HD1 ILE 29 1HD1 ILE 29 -23.763 -12.193 -6.053 290 2HD1 ILE 29 2HD1 ILE 29 -24.471 -10.951 -5.020 291 3HD1 ILE 29 3HD1 ILE 29 -22.729 -11.227 -5.000 292 MG ILE 29 MG ILE 29 -25.562 -13.882 -5.893 293 MD ILE 29 MD ILE 29 -23.654 -11.457 -5.358 294 QG ILE 29 QG ILE 29 -23.813 -12.611 -3.368 295 H ASN 30 H ASN 30 -23.802 -16.976 -2.117 296 HA ASN 30 HA ASN 30 -23.679 -18.858 -4.398 297 1HB ASN 30 1HB ASN 30 -21.575 -18.741 -3.266 298 2HB ASN 30 2HB ASN 30 -22.348 -18.822 -1.681 299 2HD2 ASN 30 1HD2 ASN 30 -20.771 -20.754 -1.455 300 1HD2 ASN 30 2HD2 ASN 30 -21.308 -22.263 -2.015 301 QB ASN 30 QB ASN 30 -21.962 -18.781 -2.474 302 QD ASN 30 QD ASN 30 -21.039 -21.509 -1.735 303 H LYS 31 H LYS 31 -24.418 -19.078 -0.892 304 HA LYS 31 HA LYS 31 -26.192 -21.345 -1.374 305 1HB LYS 31 1HB LYS 31 -25.495 -19.737 1.091 306 2HB LYS 31 2HB LYS 31 -26.660 -21.061 1.115 307 1HG LYS 31 1HG LYS 31 -24.968 -22.626 0.326 308 2HG LYS 31 2HG LYS 31 -23.797 -21.318 0.148 309 1HD LYS 31 1HD LYS 31 -23.955 -20.876 2.590 310 2HD LYS 31 2HD LYS 31 -25.059 -22.243 2.746 311 1HE LYS 31 1HE LYS 31 -22.410 -22.666 1.409 312 2HE LYS 31 2HE LYS 31 -22.473 -22.577 3.169 313 1HZ LYS 31 1HZ LYS 31 -24.420 -24.235 2.873 314 2HZ LYS 31 2HZ LYS 31 -23.705 -24.544 1.363 315 3HZ LYS 31 3HZ LYS 31 -22.820 -24.799 2.787 316 QB LYS 31 QB LYS 31 -26.077 -20.399 1.103 317 QD LYS 31 QD LYS 31 -24.507 -21.559 2.668 318 QG LYS 31 QG LYS 31 -24.382 -21.972 0.237 319 QE LYS 31 QE LYS 31 -22.442 -22.622 2.289 320 QZ LYS 31 QZ LYS 31 -23.648 -24.526 2.341 321 H ARG 32 H ARG 32 -26.560 -17.871 -1.105 322 HA ARG 32 HA ARG 32 -29.467 -18.114 -0.641 323 1HB ARG 32 1HB ARG 32 -27.594 -15.765 -0.947 324 2HB ARG 32 2HB ARG 32 -29.344 -15.561 -0.916 325 1HG ARG 32 1HG ARG 32 -28.269 -17.283 1.228 326 2HG ARG 32 2HG ARG 32 -27.771 -15.593 1.320 327 1HD ARG 32 1HD ARG 32 -30.639 -16.082 0.715 328 2HD ARG 32 2HD ARG 32 -30.106 -16.486 2.347 329 HE ARG 32 HE ARG 32 -29.175 -14.073 2.371 330 1HH1 ARG 32 1HH1 ARG 32 -29.733 -12.614 0.185 331 2HH1 ARG 32 2HH1 ARG 32 -31.403 -12.160 0.241 332 1HH2 ARG 32 1HH2 ARG 32 -32.255 -14.574 2.580 333 2HH2 ARG 32 2HH2 ARG 32 -32.831 -13.270 1.597 334 QB ARG 32 QB ARG 32 -28.469 -15.663 -0.932 335 QG ARG 32 QG ARG 32 -28.020 -16.438 1.274 336 QD ARG 32 QD ARG 32 -30.373 -16.284 1.531 337 QH1 ARG 32 QH1 ARG 32 -30.568 -12.387 0.213 338 QH2 ARG 32 QH2 ARG 32 -32.543 -13.922 2.089 339 H GLY 33 H GLY 33 -28.062 -19.084 -3.162 340 1HA GLY 33 1HA GLY 33 -28.342 -18.932 -5.502 341 2HA GLY 33 2HA GLY 33 -30.031 -18.684 -5.058 342 QA GLY 33 QA GLY 33 -29.187 -18.808 -5.280 343 H ARG 34 H ARG 34 -30.245 -17.230 -6.891 344 HA ARG 34 HA ARG 34 -30.425 -15.045 -7.740 345 1HB ARG 34 1HB ARG 34 -30.055 -14.714 -4.943 346 2HB ARG 34 2HB ARG 34 -28.997 -13.549 -5.742 347 1HG ARG 34 2HG ARG 34 -31.030 -12.973 -7.212 348 2HG ARG 34 1HG ARG 34 -31.076 -12.424 -5.536 349 1HD ARG 34 1HD ARG 34 -32.842 -14.278 -6.909 350 2HD ARG 34 2HD ARG 34 -32.129 -15.026 -5.481 351 HE ARG 34 HE ARG 34 -33.472 -12.366 -5.287 352 1HH1 ARG 34 1HH1 ARG 34 -32.539 -13.154 -2.738 353 2HH1 ARG 34 2HH1 ARG 34 -33.789 -14.154 -2.078 354 1HH2 ARG 34 1HH2 ARG 34 -35.306 -14.737 -5.142 355 2HH2 ARG 34 2HH2 ARG 34 -35.355 -15.054 -3.440 356 QB ARG 34 QB ARG 34 -29.526 -14.132 -5.342 357 QG ARG 34 QG ARG 34 -31.053 -12.698 -6.374 358 QD ARG 34 QD ARG 34 -32.485 -14.652 -6.195 359 QH1 ARG 34 QH1 ARG 34 -33.164 -13.654 -2.408 360 QH2 ARG 34 QH2 ARG 34 -35.330 -14.895 -4.291 No H/Q in entry = 360 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -14.335 10.657 19.682 2 H2 MET 1 H2 MET 1 -12.680 10.420 19.983 3 H3 MET 1 H3 MET 1 -13.446 11.840 20.513 4 HA MET 1 HA MET 1 -13.523 12.770 18.439 5 1HB MET 1 1HB MET 1 -11.083 11.291 19.075 6 2HB MET 1 2HB MET 1 -11.260 11.579 17.344 7 1HG MET 1 1HG MET 1 -11.286 13.909 17.602 8 2HG MET 1 2HG MET 1 -11.751 13.811 19.301 9 1HE MET 1 1HE MET 1 -9.260 14.826 17.058 10 2HE MET 1 2HE MET 1 -9.496 15.782 18.519 11 3HE MET 1 3HE MET 1 -7.907 15.110 18.161 12 QB MET 1 QB MET 1 -11.171 11.435 18.209 13 QG MET 1 QG MET 1 -11.518 13.860 18.451 14 ME MET 1 ME MET 1 -8.888 15.239 17.913 15 H SER 2 H SER 2 -14.610 12.500 16.553 16 HA SER 2 HA SER 2 -14.999 9.732 15.549 17 1HB SER 2 1HB SER 2 -16.816 11.692 15.925 18 2HB SER 2 2HB SER 2 -16.369 12.035 14.257 19 HG SER 2 HG SER 2 -17.987 10.533 14.188 20 QB SER 2 QB SER 2 -16.593 11.864 15.091 21 H TRP 3 H TRP 3 -14.480 9.163 13.397 22 HA TRP 3 HA TRP 3 -12.899 11.184 11.866 23 1HB TRP 3 1HB TRP 3 -12.186 8.333 12.551 24 2HB TRP 3 2HB TRP 3 -11.502 9.124 11.131 25 HD1 TRP 3 HD1 TRP 3 -10.967 11.977 12.139 26 HE1 TRP 3 HE1 TRP 3 -9.210 12.448 13.966 27 HE3 TRP 3 HE3 TRP 3 -10.683 7.359 14.300 28 HZ2 TRP 3 HZ2 TRP 3 -7.863 11.050 16.067 29 HZ3 TRP 3 HZ3 TRP 3 -9.157 6.957 16.210 30 HH2 TRP 3 HH2 TRP 3 -7.747 8.795 17.096 31 QB TRP 3 QB TRP 3 -11.844 8.729 11.841 32 H ALA 4 H ALA 4 -12.401 9.665 9.594 33 HA ALA 4 HA ALA 4 -14.403 8.038 8.550 34 1HB ALA 4 3HB ALA 4 -16.187 9.487 8.841 35 2HB ALA 4 2HB ALA 4 -15.647 9.988 7.238 36 3HB ALA 4 1HB ALA 4 -15.184 10.925 8.658 37 MB ALA 4 MB ALA 4 -15.673 10.133 8.246 38 H LEU 5 H LEU 5 -13.194 11.207 7.385 39 HA LEU 5 HA LEU 5 -12.465 10.133 4.809 40 1HB LEU 5 1HB LEU 5 -12.116 12.721 6.246 41 2HB LEU 5 2HB LEU 5 -11.010 12.394 4.914 42 HG LEU 5 HG LEU 5 -12.957 13.559 4.041 43 1HD1 LEU 5 1HD1 LEU 5 -12.032 11.079 3.133 44 2HD1 LEU 5 2HD1 LEU 5 -13.791 10.946 3.069 45 3HD1 LEU 5 3HD1 LEU 5 -12.973 12.248 2.206 46 1HD2 LEU 5 1HD2 LEU 5 -14.323 11.822 5.929 47 2HD2 LEU 5 2HD2 LEU 5 -14.910 13.286 5.141 48 3HD2 LEU 5 3HD2 LEU 5 -15.065 11.728 4.332 49 MD1 LEU 5 MD1 LEU 5 -12.932 11.424 2.803 50 MD2 LEU 5 MD2 LEU 5 -14.766 12.279 5.134 51 QB LEU 5 QB LEU 5 -11.563 12.558 5.580 52 QD LEU 5 QD LEU 5 -13.849 11.852 3.968 53 H GLU 6 H GLU 6 -10.660 10.788 7.794 54 HA GLU 6 HA GLU 6 -8.063 10.225 6.703 55 1HB GLU 6 1HB GLU 6 -9.248 10.437 9.433 56 2HB GLU 6 2HB GLU 6 -7.704 9.598 9.284 57 1HG GLU 6 1HG GLU 6 -6.773 11.555 8.079 58 2HG GLU 6 2HG GLU 6 -8.308 12.398 8.288 59 QB GLU 6 QB GLU 6 -8.476 10.018 9.358 60 QG GLU 6 QG GLU 6 -7.540 11.977 8.183 61 H MET 7 H MET 7 -10.722 8.200 7.409 62 HA MET 7 HA MET 7 -8.999 5.803 7.736 63 1HB MET 7 1HB MET 7 -11.186 6.323 9.084 64 2HB MET 7 2HB MET 7 -12.003 5.738 7.634 65 1HG MET 7 1HG MET 7 -11.100 3.583 7.838 66 2HG MET 7 2HG MET 7 -9.776 4.132 8.866 67 1HE MET 7 1HE MET 7 -9.946 4.839 11.269 68 2HE MET 7 2HE MET 7 -10.838 3.720 12.297 69 3HE MET 7 3HE MET 7 -9.743 3.102 11.053 70 QB MET 7 QB MET 7 -11.595 6.030 8.359 71 QG MET 7 QG MET 7 -10.438 3.858 8.352 72 ME MET 7 ME MET 7 -10.175 3.887 11.540 73 H ALA 8 H ALA 8 -11.428 7.172 5.531 74 HA ALA 8 HA ALA 8 -11.378 4.925 3.711 75 1HB ALA 8 1HB ALA 8 -13.017 7.077 4.005 76 2HB ALA 8 2HB ALA 8 -12.056 7.593 2.618 77 3HB ALA 8 3HB ALA 8 -12.964 6.083 2.550 78 MB ALA 8 MB ALA 8 -12.679 6.918 3.058 79 H ASP 9 H ASP 9 -10.027 8.238 3.377 80 HA ASP 9 HA ASP 9 -8.622 7.986 1.021 81 1HB ASP 9 1HB ASP 9 -8.576 10.049 2.330 82 2HB ASP 9 2HB ASP 9 -7.623 9.259 3.586 83 QB ASP 9 QB ASP 9 -8.099 9.654 2.958 84 H THR 10 H THR 10 -7.135 7.223 4.198 85 HA THR 10 HA THR 10 -4.761 6.088 3.358 86 HB THR 10 HB THR 10 -5.612 4.303 5.328 87 HG1 THR 10 HG1 THR 10 -6.642 5.804 6.790 88 1HG2 THR 10 1HG2 THR 10 -4.183 6.950 5.333 89 2HG2 THR 10 2HG2 THR 10 -4.465 6.083 6.843 90 3HG2 THR 10 3HG2 THR 10 -3.517 5.332 5.559 91 MG THR 10 MG THR 10 -4.055 6.122 5.912 92 H PHE 11 H PHE 11 -7.933 4.465 3.460 93 HA PHE 11 HA PHE 11 -7.054 1.903 2.592 94 1HB PHE 11 1HB PHE 11 -9.522 3.153 3.138 95 2HB PHE 11 2HB PHE 11 -9.641 2.573 1.477 96 HD1 PHE 11 HD1 PHE 11 -7.852 0.198 1.581 97 HD2 PHE 11 HD2 PHE 11 -10.808 1.592 4.369 98 HE1 PHE 11 HE1 PHE 11 -8.164 -2.119 2.410 99 HE2 PHE 11 HE2 PHE 11 -11.120 -0.724 5.196 100 HZ PHE 11 HZ PHE 11 -9.798 -2.580 4.217 101 QB PHE 11 QB PHE 11 -9.581 2.863 2.308 102 QD PHE 11 QD PHE 11 -9.330 0.895 2.975 103 QE PHE 11 QE PHE 11 -9.642 -1.421 3.803 104 QR PHE 11 QR PHE 11 -9.548 -0.727 3.554 105 H LEU 12 H LEU 12 -8.429 4.575 0.632 106 HA LEU 12 HA LEU 12 -7.822 3.254 -1.870 107 1HB LEU 12 1HB LEU 12 -9.083 5.730 -0.998 108 2HB LEU 12 2HB LEU 12 -8.043 5.992 -2.400 109 HG LEU 12 HG LEU 12 -9.258 3.715 -3.183 110 1HD1 LEU 12 1HD1 LEU 12 -11.131 5.109 -1.266 111 2HD1 LEU 12 2HD1 LEU 12 -11.734 4.106 -2.586 112 3HD1 LEU 12 3HD1 LEU 12 -10.714 3.397 -1.335 113 1HD2 LEU 12 1HD2 LEU 12 -9.692 6.594 -3.588 114 2HD2 LEU 12 2HD2 LEU 12 -9.564 5.301 -4.780 115 3HD2 LEU 12 3HD2 LEU 12 -11.104 5.614 -3.981 116 MD1 LEU 12 MD1 LEU 12 -11.193 4.204 -1.729 117 MD2 LEU 12 MD2 LEU 12 -10.120 5.837 -4.117 118 QB LEU 12 QB LEU 12 -8.563 5.861 -1.699 119 QD LEU 12 QD LEU 12 -10.656 5.020 -2.923 120 H ASP 13 H ASP 13 -5.792 4.638 0.379 121 HA ASP 13 HA ASP 13 -4.007 6.197 -1.195 122 1HB ASP 13 1HB ASP 13 -4.107 5.471 1.437 123 2HB ASP 13 2HB ASP 13 -2.759 4.487 0.868 124 QB ASP 13 QB ASP 13 -3.433 4.979 1.153 125 H ASN 14 H ASN 14 -3.540 2.781 -0.196 126 HA ASN 14 HA ASN 14 -1.634 2.430 -2.420 127 1HB ASN 14 1HB ASN 14 -1.607 0.018 -1.453 128 2HB ASN 14 2HB ASN 14 -0.910 1.309 -0.474 129 2HD2 ASN 14 1HD2 ASN 14 -3.493 -1.045 -0.646 130 1HD2 ASN 14 2HD2 ASN 14 -4.204 -0.664 0.847 131 QB ASN 14 QB ASN 14 -1.258 0.663 -0.963 132 QD ASN 14 QD ASN 14 -3.849 -0.855 0.100 133 H MET 15 H MET 15 -4.839 1.261 -1.437 134 HA MET 15 HA MET 15 -6.403 -0.049 -2.633 135 1HB MET 15 1HB MET 15 -6.653 2.176 -3.678 136 2HB MET 15 2HB MET 15 -5.376 1.778 -4.828 137 1HG MET 15 1HG MET 15 -7.346 -0.328 -4.799 138 2HG MET 15 2HG MET 15 -8.137 1.222 -5.080 139 1HE MET 15 1HE MET 15 -8.921 1.228 -7.034 140 2HE MET 15 2HE MET 15 -7.899 2.566 -7.552 141 3HE MET 15 3HE MET 15 -8.123 1.178 -8.613 142 QB MET 15 QB MET 15 -6.014 1.977 -4.253 143 QG MET 15 QG MET 15 -7.742 0.447 -4.940 144 ME MET 15 ME MET 15 -8.314 1.657 -7.733 145 H ARG 16 H ARG 16 -4.530 -1.777 -2.342 146 HA ARG 16 HA ARG 16 -3.330 -2.575 -4.919 147 1HB ARG 16 1HB ARG 16 -3.023 -3.338 -2.070 148 2HB ARG 16 2HB ARG 16 -2.837 -4.658 -3.224 149 1HG ARG 16 1HG ARG 16 -1.121 -3.431 -4.433 150 2HG ARG 16 2HG ARG 16 -1.370 -2.013 -3.414 151 1HD ARG 16 1HD ARG 16 -0.904 -4.280 -1.722 152 2HD ARG 16 2HD ARG 16 0.370 -4.217 -2.939 153 HE ARG 16 HE ARG 16 -0.248 -1.689 -1.531 154 1HH1 ARG 16 1HH1 ARG 16 2.260 -1.577 -2.795 155 2HH1 ARG 16 2HH1 ARG 16 3.400 -2.163 -1.629 156 1HH2 ARG 16 1HH2 ARG 16 0.997 -3.699 0.342 157 2HH2 ARG 16 2HH2 ARG 16 2.685 -3.364 0.147 158 QB ARG 16 QB ARG 16 -2.930 -3.998 -2.647 159 QG ARG 16 QG ARG 16 -1.245 -2.722 -3.924 160 QD ARG 16 QD ARG 16 -0.267 -4.248 -2.330 161 QH1 ARG 16 QH1 ARG 16 2.830 -1.870 -2.212 162 QH2 ARG 16 QH2 ARG 16 1.841 -3.532 0.245 163 H VAL 17 H VAL 17 -5.929 -2.552 -5.388 164 HA VAL 17 HA VAL 17 -7.883 -3.804 -5.770 165 HB VAL 17 HB VAL 17 -6.377 -4.673 -7.508 166 1HG1 VAL 17 1HG1 VAL 17 -5.551 -6.601 -5.322 167 2HG1 VAL 17 2HG1 VAL 17 -5.185 -6.849 -7.029 168 3HG1 VAL 17 3HG1 VAL 17 -4.523 -5.453 -6.179 169 1HG2 VAL 17 1HG2 VAL 17 -8.700 -5.770 -6.749 170 2HG2 VAL 17 2HG2 VAL 17 -7.738 -6.455 -8.059 171 3HG2 VAL 17 3HG2 VAL 17 -7.651 -7.155 -6.443 172 MG1 VAL 17 MG1 VAL 17 -5.086 -6.301 -6.177 173 MG2 VAL 17 MG2 VAL 17 -8.030 -6.460 -7.084 174 QG VAL 17 QG VAL 17 -6.558 -6.380 -6.630 175 H GLY 18 H GLY 18 -7.230 -3.715 -3.028 176 1HA GLY 18 1HA GLY 18 -7.710 -4.836 -1.017 177 2HA GLY 18 2HA GLY 18 -8.802 -5.829 -1.983 178 QA GLY 18 QA GLY 18 -8.256 -5.333 -1.500 179 1HB PRO 19 1HB PRO 19 -3.190 -7.393 0.686 180 2HB PRO 19 2HB PRO 19 -2.916 -6.510 -0.826 181 1HG PRO 19 2HG PRO 19 -3.596 -4.664 0.387 182 2HG PRO 19 1HG PRO 19 -4.424 -5.653 1.601 183 1HD PRO 19 1HD PRO 19 -6.386 -5.102 0.539 184 2HD PRO 19 2HD PRO 19 -5.514 -4.408 -0.843 185 QB PRO 19 QB PRO 19 -3.053 -6.952 -0.070 186 QG PRO 19 QG PRO 19 -4.010 -5.158 0.994 187 QD PRO 19 QD PRO 19 -5.950 -4.755 -0.152 188 H ARG 20 H ARG 20 -5.671 -9.869 -1.302 189 HA ARG 20 HA ARG 20 -6.496 -10.448 1.508 190 1HB ARG 20 1HB ARG 20 -7.531 -11.216 -1.169 191 2HB ARG 20 2HB ARG 20 -7.591 -12.467 0.073 192 1HG ARG 20 1HG ARG 20 -8.579 -10.546 1.567 193 2HG ARG 20 2HG ARG 20 -8.955 -9.792 0.017 194 1HD ARG 20 2HD ARG 20 -9.759 -12.427 -0.338 195 2HD ARG 20 1HD ARG 20 -10.823 -11.064 0.008 196 HE ARG 20 HE ARG 20 -9.695 -12.857 2.122 197 1HH1 ARG 20 1HH1 ARG 20 -10.664 -10.496 3.406 198 2HH1 ARG 20 2HH1 ARG 20 -12.363 -10.768 3.610 199 1HH2 ARG 20 1HH2 ARG 20 -12.503 -13.321 1.266 200 2HH2 ARG 20 2HH2 ARG 20 -13.404 -12.369 2.398 201 QB ARG 20 QB ARG 20 -7.561 -11.842 -0.548 202 QG ARG 20 QG ARG 20 -8.767 -10.169 0.792 203 QD ARG 20 QD ARG 20 -10.291 -11.746 -0.165 204 QH1 ARG 20 QH1 ARG 20 -11.513 -10.632 3.508 205 QH2 ARG 20 QH2 ARG 20 -12.954 -12.845 1.832 206 H THR 21 H THR 21 -3.752 -10.715 0.125 207 HA THR 21 HA THR 21 -1.948 -12.187 0.490 208 HB THR 21 HB THR 21 -3.889 -14.210 1.608 209 HG1 THR 21 HG1 THR 21 -4.171 -13.014 3.303 210 1HG2 THR 21 1HG2 THR 21 -0.986 -13.519 2.126 211 2HG2 THR 21 2HG2 THR 21 -1.898 -14.726 3.030 212 3HG2 THR 21 3HG2 THR 21 -1.597 -14.956 1.307 213 MG THR 21 MG THR 21 -1.494 -14.400 2.154 214 H TYR 22 H TYR 22 -3.533 -12.092 -1.933 215 HA TYR 22 HA TYR 22 -3.552 -13.260 -3.975 216 1HB TYR 22 1HB TYR 22 -1.536 -14.575 -2.395 217 2HB TYR 22 2HB TYR 22 -2.440 -15.783 -3.308 218 HD1 TYR 22 HD1 TYR 22 -3.118 -14.750 -5.801 219 HD2 TYR 22 HD2 TYR 22 0.381 -13.833 -3.484 220 HE1 TYR 22 HE1 TYR 22 -1.922 -14.087 -7.870 221 HE2 TYR 22 HE2 TYR 22 1.577 -13.169 -5.553 222 HH TYR 22 HH TYR 22 0.155 -13.666 -8.737 223 QB TYR 22 QB TYR 22 -1.988 -15.179 -2.852 224 QD TYR 22 QD TYR 22 -1.369 -14.291 -4.643 225 QE TYR 22 QE TYR 22 -0.173 -13.628 -6.712 226 QR TYR 22 QR TYR 22 -0.771 -13.960 -5.677 227 H ALA 23 H ALA 23 -5.273 -13.955 -1.317 228 HA ALA 23 HA ALA 23 -6.406 -16.523 -2.079 229 1HB ALA 23 3HB ALA 23 -6.521 -15.936 0.255 230 2HB ALA 23 1HB ALA 23 -7.294 -14.396 -0.121 231 3HB ALA 23 2HB ALA 23 -8.172 -15.907 -0.366 232 MB ALA 23 MB ALA 23 -7.329 -15.413 -0.078 233 H ASP 24 H ASP 24 -7.095 -13.183 -2.610 234 HA ASP 24 HA ASP 24 -9.701 -13.625 -3.842 235 1HB ASP 24 1HB ASP 24 -8.071 -11.357 -3.079 236 2HB ASP 24 2HB ASP 24 -8.663 -11.154 -4.728 237 QB ASP 24 QB ASP 24 -8.367 -11.256 -3.903 238 H VAL 25 H VAL 25 -6.503 -12.614 -5.121 239 HA VAL 25 HA VAL 25 -7.168 -12.810 -7.869 240 HB VAL 25 HB VAL 25 -4.496 -13.472 -6.589 241 1HG1 VAL 25 1HG1 VAL 25 -4.785 -14.078 -9.005 242 2HG1 VAL 25 2HG1 VAL 25 -5.160 -12.388 -9.342 243 3HG1 VAL 25 3HG1 VAL 25 -3.563 -12.833 -8.742 244 1HG2 VAL 25 1HG2 VAL 25 -5.819 -11.157 -6.187 245 2HG2 VAL 25 2HG2 VAL 25 -4.066 -11.223 -6.371 246 3HG2 VAL 25 3HG2 VAL 25 -5.080 -10.790 -7.746 247 MG1 VAL 25 MG1 VAL 25 -4.503 -13.100 -9.030 248 MG2 VAL 25 MG2 VAL 25 -4.988 -11.056 -6.768 249 QG VAL 25 QG VAL 25 -4.746 -12.078 -7.899 250 H ARG 26 H ARG 26 -5.982 -15.266 -5.592 251 HA ARG 26 HA ARG 26 -5.722 -17.395 -7.479 252 1HB ARG 26 1HB ARG 26 -4.878 -17.364 -5.080 253 2HB ARG 26 2HB ARG 26 -6.536 -17.697 -4.577 254 1HG ARG 26 1HG ARG 26 -6.535 -19.830 -5.503 255 2HG ARG 26 2HG ARG 26 -5.285 -19.430 -6.681 256 1HD ARG 26 1HD ARG 26 -4.635 -19.390 -3.746 257 2HD ARG 26 2HD ARG 26 -4.662 -20.923 -4.618 258 HE ARG 26 HE ARG 26 -2.874 -18.637 -5.344 259 1HH1 ARG 26 1HH1 ARG 26 -2.853 -21.711 -4.094 260 2HH1 ARG 26 2HH1 ARG 26 -1.739 -22.380 -5.239 261 1HH2 ARG 26 1HH2 ARG 26 -1.796 -19.603 -7.314 262 2HH2 ARG 26 2HH2 ARG 26 -1.140 -21.186 -7.062 263 QB ARG 26 QB ARG 26 -5.707 -17.530 -4.829 264 QG ARG 26 QG ARG 26 -5.910 -19.630 -6.092 265 QD ARG 26 QD ARG 26 -4.648 -20.157 -4.182 266 QH1 ARG 26 QH1 ARG 26 -2.296 -22.045 -4.666 267 QH2 ARG 26 QH2 ARG 26 -1.468 -20.395 -7.188 268 H ASP 27 H ASP 27 -8.486 -16.355 -5.473 269 HA ASP 27 HA ASP 27 -10.259 -18.463 -6.241 270 1HB ASP 27 1HB ASP 27 -10.859 -17.069 -4.375 271 2HB ASP 27 2HB ASP 27 -10.771 -15.609 -5.361 272 QB ASP 27 QB ASP 27 -10.815 -16.339 -4.868 273 H GLU 28 H GLU 28 -9.465 -15.364 -7.767 274 HA GLU 28 HA GLU 28 -11.497 -15.198 -9.687 275 1HB GLU 28 1HB GLU 28 -8.831 -14.131 -9.352 276 2HB GLU 28 2HB GLU 28 -9.106 -14.549 -11.044 277 1HG GLU 28 1HG GLU 28 -11.327 -13.317 -10.864 278 2HG GLU 28 2HG GLU 28 -10.765 -12.712 -9.305 279 QB GLU 28 QB GLU 28 -8.968 -14.340 -10.198 280 QG GLU 28 QG GLU 28 -11.046 -13.015 -10.084 281 H ILE 29 H ILE 29 -8.685 -17.312 -9.589 282 HA ILE 29 HA ILE 29 -8.722 -18.313 -12.219 283 HB ILE 29 HB ILE 29 -8.051 -19.656 -9.611 284 1HG1 ILE 29 1HG1 ILE 29 -6.383 -18.499 -11.868 285 2HG1 ILE 29 2HG1 ILE 29 -6.571 -17.815 -10.253 286 1HG2 ILE 29 1HG2 ILE 29 -8.748 -21.297 -11.388 287 2HG2 ILE 29 2HG2 ILE 29 -7.465 -20.656 -12.414 288 3HG2 ILE 29 3HG2 ILE 29 -7.062 -21.461 -10.898 289 1HD1 ILE 29 1HD1 ILE 29 -5.533 -20.621 -10.646 290 2HD1 ILE 29 2HD1 ILE 29 -4.451 -19.229 -10.716 291 3HD1 ILE 29 3HD1 ILE 29 -5.355 -19.571 -9.240 292 MG ILE 29 MG ILE 29 -7.758 -21.138 -11.567 293 MD ILE 29 MD ILE 29 -5.113 -19.807 -10.201 294 QG ILE 29 QG ILE 29 -6.477 -18.157 -11.061 295 H ASN 30 H ASN 30 -9.929 -20.132 -9.558 296 HA ASN 30 HA ASN 30 -11.564 -21.930 -10.909 297 1HB ASN 30 1HB ASN 30 -11.374 -20.911 -8.170 298 2HB ASN 30 2HB ASN 30 -13.008 -21.421 -8.593 299 2HD2 ASN 30 1HD2 ASN 30 -9.820 -22.736 -9.643 300 1HD2 ASN 30 2HD2 ASN 30 -10.123 -24.314 -9.096 301 QB ASN 30 QB ASN 30 -12.191 -21.166 -8.382 302 QD ASN 30 QD ASN 30 -9.971 -23.525 -9.369 303 H LYS 31 H LYS 31 -12.137 -18.536 -10.374 304 HA LYS 31 HA LYS 31 -15.009 -18.651 -10.808 305 1HB LYS 31 1HB LYS 31 -13.247 -16.733 -9.876 306 2HB LYS 31 2HB LYS 31 -13.713 -16.107 -11.458 307 1HG LYS 31 1HG LYS 31 -16.140 -16.696 -10.721 308 2HG LYS 31 2HG LYS 31 -15.466 -16.734 -9.091 309 1HD LYS 31 2HD LYS 31 -14.478 -14.391 -10.395 310 2HD LYS 31 1HD LYS 31 -15.551 -14.491 -8.998 311 1HE LYS 31 1HE LYS 31 -16.180 -13.705 -11.697 312 2HE LYS 31 2HE LYS 31 -17.111 -15.143 -11.279 313 1HZ LYS 31 1HZ LYS 31 -16.982 -13.174 -9.181 314 2HZ LYS 31 2HZ LYS 31 -17.763 -12.622 -10.583 315 3HZ LYS 31 3HZ LYS 31 -18.320 -14.021 -9.796 316 QB LYS 31 QB LYS 31 -13.480 -16.420 -10.667 317 QD LYS 31 QD LYS 31 -15.014 -14.441 -9.697 318 QG LYS 31 QG LYS 31 -15.803 -16.715 -9.906 319 QE LYS 31 QE LYS 31 -16.645 -14.424 -11.488 320 QZ LYS 31 QZ LYS 31 -17.688 -13.272 -9.853 321 H ARG 32 H ARG 32 -12.202 -17.926 -12.862 322 HA ARG 32 HA ARG 32 -13.973 -17.604 -15.200 323 1HB ARG 32 2HB ARG 32 -12.071 -16.758 -16.334 324 2HB ARG 32 1HB ARG 32 -10.955 -17.543 -15.217 325 1HG ARG 32 1HG ARG 32 -11.836 -16.070 -13.390 326 2HG ARG 32 2HG ARG 32 -11.047 -15.171 -14.688 327 1HD ARG 32 1HD ARG 32 -13.642 -15.313 -15.590 328 2HD ARG 32 2HD ARG 32 -13.867 -15.159 -13.847 329 HE ARG 32 HE ARG 32 -12.025 -13.197 -14.374 330 1HH1 ARG 32 1HH1 ARG 32 -13.254 -13.344 -17.186 331 2HH1 ARG 32 2HH1 ARG 32 -14.444 -12.090 -17.082 332 1HH2 ARG 32 1HH2 ARG 32 -14.329 -11.902 -13.622 333 2HH2 ARG 32 2HH2 ARG 32 -15.053 -11.274 -15.064 334 QB ARG 32 QB ARG 32 -11.513 -17.151 -15.775 335 QG ARG 32 QG ARG 32 -11.442 -15.621 -14.039 336 QD ARG 32 QD ARG 32 -13.755 -15.236 -14.719 337 QH1 ARG 32 QH1 ARG 32 -13.849 -12.717 -17.134 338 QH2 ARG 32 QH2 ARG 32 -14.691 -11.588 -14.343 339 H GLY 33 H GLY 33 -11.267 -18.831 -16.513 340 1HA GLY 33 1HA GLY 33 -10.533 -21.187 -16.687 341 2HA GLY 33 2HA GLY 33 -12.180 -21.663 -16.267 342 QA GLY 33 QA GLY 33 -11.357 -21.425 -16.477 343 H ARG 34 H ARG 34 -12.516 -22.863 -18.194 344 HA ARG 34 HA ARG 34 -12.555 -21.226 -20.699 345 1HB ARG 34 2HB ARG 34 -12.295 -23.336 -21.926 346 2HB ARG 34 1HB ARG 34 -12.327 -24.238 -20.410 347 1HG ARG 34 1HG ARG 34 -10.165 -22.539 -21.571 348 2HG ARG 34 2HG ARG 34 -10.357 -22.510 -19.818 349 1HD ARG 34 1HD ARG 34 -10.049 -25.020 -21.492 350 2HD ARG 34 2HD ARG 34 -8.766 -24.273 -20.539 351 HE ARG 34 HE ARG 34 -11.034 -24.777 -18.858 352 1HH1 ARG 34 1HH1 ARG 34 -7.902 -25.564 -19.021 353 2HH1 ARG 34 2HH1 ARG 34 -8.058 -27.245 -18.633 354 1HH2 ARG 34 1HH2 ARG 34 -11.504 -27.288 -19.026 355 2HH2 ARG 34 2HH2 ARG 34 -10.096 -28.220 -18.635 356 QB ARG 34 QB ARG 34 -12.311 -23.787 -21.168 357 QG ARG 34 QG ARG 34 -10.261 -22.525 -20.695 358 QD ARG 34 QD ARG 34 -9.407 -24.646 -21.015 359 QH1 ARG 34 QH1 ARG 34 -7.980 -26.404 -18.827 360 QH2 ARG 34 QH2 ARG 34 -10.800 -27.754 -18.831 No H/Q in entry = 360 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -15.662 15.129 8.074 2 H2 MET 1 H2 MET 1 -14.354 16.104 8.547 3 H3 MET 1 H3 MET 1 -14.124 14.862 7.410 4 HA MET 1 HA MET 1 -13.429 13.646 9.132 5 1HB MET 1 1HB MET 1 -14.866 15.754 10.740 6 2HB MET 1 2HB MET 1 -14.234 14.300 11.512 7 1HG MET 1 1HG MET 1 -12.210 15.328 9.774 8 2HG MET 1 2HG MET 1 -12.804 16.658 10.768 9 1HE MET 1 1HE MET 1 -10.239 15.190 10.300 10 2HE MET 1 2HE MET 1 -9.624 15.904 11.789 11 3HE MET 1 3HE MET 1 -9.595 14.154 11.581 12 QB MET 1 QB MET 1 -14.550 15.027 11.126 13 QG MET 1 QG MET 1 -12.507 15.993 10.271 14 ME MET 1 ME MET 1 -9.819 15.083 11.223 15 H SER 2 H SER 2 -15.984 13.359 7.617 16 HA SER 2 HA SER 2 -17.647 11.881 9.597 17 1HB SER 2 1HB SER 2 -19.120 11.716 7.385 18 2HB SER 2 2HB SER 2 -19.132 13.172 8.375 19 HG SER 2 HG SER 2 -18.742 13.414 6.026 20 QB SER 2 QB SER 2 -19.126 12.444 7.880 21 H TRP 3 H TRP 3 -16.948 11.320 6.144 22 HA TRP 3 HA TRP 3 -15.729 8.718 6.801 23 1HB TRP 3 2HB TRP 3 -18.219 8.329 6.662 24 2HB TRP 3 1HB TRP 3 -17.289 7.416 5.475 25 HD1 TRP 3 HD1 TRP 3 -19.034 10.878 5.645 26 HE1 TRP 3 HE1 TRP 3 -20.143 11.323 3.360 27 HE3 TRP 3 HE3 TRP 3 -17.617 6.660 3.137 28 HZ2 TRP 3 HZ2 TRP 3 -20.400 10.056 0.808 29 HZ3 TRP 3 HZ3 TRP 3 -18.308 6.305 0.783 30 HH2 TRP 3 HH2 TRP 3 -19.696 7.996 -0.383 31 QB TRP 3 QB TRP 3 -17.754 7.873 6.069 32 H ALA 4 H ALA 4 -15.336 7.603 4.400 33 HA ALA 4 HA ALA 4 -14.458 7.855 2.222 34 1HB ALA 4 1HB ALA 4 -15.965 10.151 2.456 35 2HB ALA 4 3HB ALA 4 -15.054 9.680 1.021 36 3HB ALA 4 2HB ALA 4 -14.343 10.790 2.192 37 MB ALA 4 MB ALA 4 -15.121 10.207 1.890 38 H LEU 5 H LEU 5 -13.374 10.254 4.639 39 HA LEU 5 HA LEU 5 -10.647 10.217 3.577 40 1HB LEU 5 1HB LEU 5 -11.515 12.274 4.578 41 2HB LEU 5 2HB LEU 5 -11.816 11.433 6.098 42 HG LEU 5 HG LEU 5 -9.225 10.830 5.840 43 1HD1 LEU 5 1HD1 LEU 5 -9.655 13.363 4.243 44 2HD1 LEU 5 2HD1 LEU 5 -8.105 12.972 4.987 45 3HD1 LEU 5 3HD1 LEU 5 -8.786 11.908 3.756 46 1HD2 LEU 5 1HD2 LEU 5 -10.682 13.147 7.021 47 2HD2 LEU 5 2HD2 LEU 5 -9.706 11.911 7.816 48 3HD2 LEU 5 3HD2 LEU 5 -8.921 13.255 6.986 49 MD1 LEU 5 MD1 LEU 5 -8.849 12.748 4.328 50 MD2 LEU 5 MD2 LEU 5 -9.769 12.771 7.274 51 QB LEU 5 QB LEU 5 -11.665 11.853 5.338 52 QD LEU 5 QD LEU 5 -9.309 12.759 5.801 53 H GLU 6 H GLU 6 -12.430 8.753 6.253 54 HA GLU 6 HA GLU 6 -10.057 7.660 7.528 55 1HB GLU 6 1HB GLU 6 -12.261 8.092 8.688 56 2HB GLU 6 2HB GLU 6 -12.916 6.704 7.817 57 1HG GLU 6 1HG GLU 6 -10.951 5.366 8.768 58 2HG GLU 6 2HG GLU 6 -10.678 6.733 9.849 59 QB GLU 6 QB GLU 6 -12.589 7.398 8.252 60 QG GLU 6 QG GLU 6 -10.815 6.050 9.309 61 H MET 7 H MET 7 -11.918 6.752 4.781 62 HA MET 7 HA MET 7 -10.968 3.940 4.946 63 1HB MET 7 1HB MET 7 -13.105 5.355 3.383 64 2HB MET 7 2HB MET 7 -12.429 3.853 2.752 65 1HG MET 7 1HG MET 7 -13.025 3.646 5.595 66 2HG MET 7 2HG MET 7 -14.458 4.074 4.660 67 1HE MET 7 1HE MET 7 -15.488 2.972 2.979 68 2HE MET 7 2HE MET 7 -14.213 2.614 1.817 69 3HE MET 7 3HE MET 7 -15.263 1.320 2.410 70 QB MET 7 QB MET 7 -12.767 4.604 3.067 71 QG MET 7 QG MET 7 -13.741 3.860 5.127 72 ME MET 7 ME MET 7 -14.988 2.302 2.402 73 H ALA 8 H ALA 8 -10.860 6.825 2.955 74 HA ALA 8 HA ALA 8 -9.039 5.684 0.980 75 1HB ALA 8 1HB ALA 8 -10.752 7.301 0.302 76 2HB ALA 8 3HB ALA 8 -9.136 7.904 -0.066 77 3HB ALA 8 2HB ALA 8 -10.010 8.522 1.335 78 MB ALA 8 MB ALA 8 -9.966 7.909 0.524 79 H ASP 9 H ASP 9 -8.479 7.582 3.883 80 HA ASP 9 HA ASP 9 -6.389 9.122 3.450 81 1HB ASP 9 1HB ASP 9 -5.625 8.679 5.687 82 2HB ASP 9 2HB ASP 9 -7.379 8.508 5.661 83 QB ASP 9 QB ASP 9 -6.502 8.594 5.674 84 H THR 10 H THR 10 -4.341 7.566 4.986 85 HA THR 10 HA THR 10 -2.185 7.384 3.427 86 HB THR 10 HB THR 10 -2.900 5.230 5.431 87 HG1 THR 10 HG1 THR 10 -2.881 6.883 6.714 88 1HG2 THR 10 1HG2 THR 10 -0.299 6.211 4.244 89 2HG2 THR 10 2HG2 THR 10 -0.370 5.266 5.731 90 3HG2 THR 10 3HG2 THR 10 -0.948 4.571 4.216 91 MG THR 10 MG THR 10 -0.539 5.349 4.730 92 H PHE 11 H PHE 11 -3.231 6.812 1.313 93 HA PHE 11 HA PHE 11 -3.507 5.310 -0.475 94 1HB PHE 11 1HB PHE 11 -2.135 3.410 1.420 95 2HB PHE 11 2HB PHE 11 -2.457 3.105 -0.286 96 HD1 PHE 11 HD1 PHE 11 -1.829 5.539 -1.655 97 HD2 PHE 11 HD2 PHE 11 0.171 3.788 1.719 98 HE1 PHE 11 HE1 PHE 11 0.255 6.731 -2.273 99 HE2 PHE 11 HE2 PHE 11 2.256 4.981 1.100 100 HZ PHE 11 HZ PHE 11 2.298 6.453 -0.896 101 QB PHE 11 QB PHE 11 -2.296 3.257 0.567 102 QD PHE 11 QD PHE 11 -0.829 4.664 0.032 103 QE PHE 11 QE PHE 11 1.256 5.856 -0.587 104 QR PHE 11 QR PHE 11 0.630 5.498 -0.401 105 H LEU 12 H LEU 12 -5.068 5.281 2.330 106 HA LEU 12 HA LEU 12 -6.376 2.775 2.380 107 1HB LEU 12 1HB LEU 12 -6.232 5.119 3.915 108 2HB LEU 12 2HB LEU 12 -7.895 5.075 3.368 109 HG LEU 12 HG LEU 12 -7.376 2.430 4.066 110 1HD1 LEU 12 1HD1 LEU 12 -5.390 3.995 5.288 111 2HD1 LEU 12 2HD1 LEU 12 -6.569 3.671 6.558 112 3HD1 LEU 12 3HD1 LEU 12 -5.820 2.333 5.688 113 1HD2 LEU 12 1HD2 LEU 12 -8.910 4.706 5.139 114 2HD2 LEU 12 2HD2 LEU 12 -9.410 3.037 4.862 115 3HD2 LEU 12 3HD2 LEU 12 -8.536 3.464 6.332 116 MD1 LEU 12 MD1 LEU 12 -5.926 3.333 5.845 117 MD2 LEU 12 MD2 LEU 12 -8.952 3.736 5.444 118 QB LEU 12 QB LEU 12 -7.064 5.097 3.641 119 QD LEU 12 QD LEU 12 -7.439 3.534 5.644 120 H ASP 13 H ASP 13 -6.324 5.508 0.319 121 HA ASP 13 HA ASP 13 -9.031 5.387 -0.726 122 1HB ASP 13 1HB ASP 13 -7.160 7.218 -1.019 123 2HB ASP 13 2HB ASP 13 -6.683 6.225 -2.398 124 QB ASP 13 QB ASP 13 -6.921 6.722 -1.709 125 H ASN 14 H ASN 14 -5.929 4.026 -1.873 126 HA ASN 14 HA ASN 14 -7.531 2.120 -3.531 127 1HB ASN 14 1HB ASN 14 -4.717 3.173 -3.955 128 2HB ASN 14 2HB ASN 14 -5.490 1.943 -4.956 129 2HD2 ASN 14 1HD2 ASN 14 -5.947 3.030 -6.897 130 1HD2 ASN 14 2HD2 ASN 14 -6.795 4.496 -6.997 131 QB ASN 14 QB ASN 14 -5.103 2.558 -4.455 132 QD ASN 14 QD ASN 14 -6.371 3.763 -6.947 133 H MET 15 H MET 15 -6.969 1.693 -0.750 134 HA MET 15 HA MET 15 -5.881 -0.957 -0.845 135 1HB MET 15 1HB MET 15 -3.880 0.925 -0.906 136 2HB MET 15 2HB MET 15 -4.030 0.616 0.824 137 1HG MET 15 1HG MET 15 -4.185 -1.910 -0.431 138 2HG MET 15 2HG MET 15 -2.856 -1.058 -1.218 139 1HE MET 15 1HE MET 15 -0.785 -1.410 -0.630 140 2HE MET 15 2HE MET 15 -0.773 0.111 0.260 141 3HE MET 15 3HE MET 15 -0.037 -1.336 0.963 142 QB MET 15 QB MET 15 -3.955 0.770 -0.041 143 QG MET 15 QG MET 15 -3.521 -1.484 -0.824 144 ME MET 15 ME MET 15 -0.532 -0.878 0.198 145 H ARG 16 H ARG 16 -7.877 -1.211 0.376 146 HA ARG 16 HA ARG 16 -7.950 0.053 3.057 147 1HB ARG 16 1HB ARG 16 -9.935 -0.482 1.229 148 2HB ARG 16 2HB ARG 16 -10.093 -1.839 2.345 149 1HG ARG 16 1HG ARG 16 -9.744 0.263 4.076 150 2HG ARG 16 2HG ARG 16 -10.660 1.022 2.774 151 1HD ARG 16 1HD ARG 16 -12.530 -0.255 3.157 152 2HD ARG 16 2HD ARG 16 -11.594 -1.658 3.672 153 HE ARG 16 HE ARG 16 -11.414 0.528 5.576 154 1HH1 ARG 16 1HH1 ARG 16 -13.445 -1.991 4.373 155 2HH1 ARG 16 2HH1 ARG 16 -14.198 -2.292 5.904 156 1HH2 ARG 16 1HH2 ARG 16 -12.336 0.094 7.595 157 2HH2 ARG 16 2HH2 ARG 16 -13.571 -1.114 7.726 158 QB ARG 16 QB ARG 16 -10.014 -1.161 1.787 159 QG ARG 16 QG ARG 16 -10.202 0.642 3.425 160 QD ARG 16 QD ARG 16 -12.062 -0.957 3.415 161 QH1 ARG 16 QH1 ARG 16 -13.821 -2.142 5.139 162 QH2 ARG 16 QH2 ARG 16 -12.953 -0.510 7.660 163 H VAL 17 H VAL 17 -5.887 -1.525 3.246 164 HA VAL 17 HA VAL 17 -5.010 -3.316 4.485 165 HB VAL 17 HB VAL 17 -7.891 -3.844 5.268 166 1HG1 VAL 17 1HG1 VAL 17 -5.195 -4.719 6.264 167 2HG1 VAL 17 2HG1 VAL 17 -6.541 -4.588 7.397 168 3HG1 VAL 17 3HG1 VAL 17 -6.653 -5.678 6.014 169 1HG2 VAL 17 1HG2 VAL 17 -7.120 -1.475 5.680 170 2HG2 VAL 17 2HG2 VAL 17 -7.523 -2.364 7.148 171 3HG2 VAL 17 3HG2 VAL 17 -5.835 -2.131 6.693 172 MG1 VAL 17 MG1 VAL 17 -6.130 -4.995 6.558 173 MG2 VAL 17 MG2 VAL 17 -6.826 -1.990 6.507 174 QG VAL 17 QG VAL 17 -6.478 -3.492 6.533 175 H GLY 18 H GLY 18 -5.814 -3.667 1.696 176 1HA GLY 18 1HA GLY 18 -5.618 -5.572 0.278 177 2HA GLY 18 2HA GLY 18 -5.855 -6.609 1.685 178 QA GLY 18 QA GLY 18 -5.737 -6.091 0.982 179 1HB PRO 19 1HB PRO 19 -9.815 -8.984 -1.612 180 2HB PRO 19 2HB PRO 19 -9.097 -7.655 -2.539 181 1HG PRO 19 2HG PRO 19 -7.142 -8.873 -2.353 182 2HG PRO 19 1HG PRO 19 -7.740 -9.789 -0.960 183 1HD PRO 19 1HD PRO 19 -6.461 -8.407 0.356 184 2HD PRO 19 2HD PRO 19 -6.142 -7.311 -1.006 185 QB PRO 19 QB PRO 19 -9.456 -8.319 -2.076 186 QG PRO 19 QG PRO 19 -7.441 -9.331 -1.656 187 QD PRO 19 QD PRO 19 -6.301 -7.859 -0.325 188 H ARG 20 H ARG 20 -11.524 -8.506 -0.586 189 HA ARG 20 HA ARG 20 -11.474 -9.298 2.298 190 1HB ARG 20 2HB ARG 20 -13.811 -8.835 2.506 191 2HB ARG 20 1HB ARG 20 -13.991 -8.611 0.765 192 1HG ARG 20 1HG ARG 20 -12.259 -6.851 2.525 193 2HG ARG 20 2HG ARG 20 -12.674 -6.581 0.832 194 1HD ARG 20 1HD ARG 20 -14.803 -6.807 2.962 195 2HD ARG 20 2HD ARG 20 -14.028 -5.267 2.590 196 HE ARG 20 HE ARG 20 -16.022 -6.589 0.961 197 1HH1 ARG 20 1HH1 ARG 20 -14.422 -3.739 1.319 198 2HH1 ARG 20 2HH1 ARG 20 -14.238 -3.388 -0.367 199 1HH2 ARG 20 1HH2 ARG 20 -15.253 -6.538 -1.406 200 2HH2 ARG 20 2HH2 ARG 20 -14.708 -4.972 -1.910 201 QB ARG 20 QB ARG 20 -13.901 -8.723 1.635 202 QG ARG 20 QG ARG 20 -12.467 -6.716 1.679 203 QD ARG 20 QD ARG 20 -14.416 -6.037 2.776 204 QH1 ARG 20 QH1 ARG 20 -14.330 -3.564 0.476 205 QH2 ARG 20 QH2 ARG 20 -14.980 -5.755 -1.658 206 H THR 21 H THR 21 -12.529 -10.052 -0.992 207 HA THR 21 HA THR 21 -13.871 -12.486 -0.537 208 HB THR 21 HB THR 21 -13.502 -12.971 -2.825 209 HG1 THR 21 HG1 THR 21 -11.710 -12.132 -3.932 210 1HG2 THR 21 1HG2 THR 21 -14.195 -10.400 -2.027 211 2HG2 THR 21 2HG2 THR 21 -12.987 -10.135 -3.285 212 3HG2 THR 21 3HG2 THR 21 -14.432 -11.083 -3.637 213 MG THR 21 MG THR 21 -13.871 -10.540 -2.983 214 H TYR 22 H TYR 22 -13.192 -14.431 0.239 215 HA TYR 22 HA TYR 22 -10.266 -14.822 0.621 216 1HB TYR 22 1HB TYR 22 -12.666 -16.226 1.833 217 2HB TYR 22 2HB TYR 22 -10.991 -16.672 2.158 218 HD1 TYR 22 HD1 TYR 22 -9.554 -14.212 2.424 219 HD2 TYR 22 HD2 TYR 22 -13.560 -15.113 3.681 220 HE1 TYR 22 HE1 TYR 22 -9.415 -12.432 4.142 221 HE2 TYR 22 HE2 TYR 22 -13.420 -13.333 5.401 222 HH TYR 22 HH TYR 22 -10.630 -12.012 6.454 223 QB TYR 22 QB TYR 22 -11.829 -16.449 1.995 224 QD TYR 22 QD TYR 22 -11.557 -14.663 3.052 225 QE TYR 22 QE TYR 22 -11.417 -12.882 4.772 226 QR TYR 22 QR TYR 22 -11.487 -13.772 3.912 227 H ALA 23 H ALA 23 -13.125 -16.654 -0.560 228 HA ALA 23 HA ALA 23 -11.569 -18.846 -1.537 229 1HB ALA 23 2HB ALA 23 -14.122 -18.094 -2.893 230 2HB ALA 23 3HB ALA 23 -13.554 -19.686 -2.389 231 3HB ALA 23 1HB ALA 23 -14.188 -18.557 -1.192 232 MB ALA 23 MB ALA 23 -13.955 -18.779 -2.158 233 H ASP 24 H ASP 24 -12.362 -15.752 -2.803 234 HA ASP 24 HA ASP 24 -11.531 -16.370 -5.542 235 1HB ASP 24 1HB ASP 24 -12.697 -14.085 -4.108 236 2HB ASP 24 2HB ASP 24 -11.509 -13.616 -5.325 237 QB ASP 24 QB ASP 24 -12.103 -13.850 -4.717 238 H VAL 25 H VAL 25 -10.267 -13.969 -3.193 239 HA VAL 25 HA VAL 25 -7.816 -13.451 -4.377 240 HB VAL 25 HB VAL 25 -8.621 -12.391 -2.269 241 1HG1 VAL 25 1HG1 VAL 25 -9.330 -14.570 -1.218 242 2HG1 VAL 25 2HG1 VAL 25 -7.625 -14.928 -0.942 243 3HG1 VAL 25 3HG1 VAL 25 -8.374 -13.538 -0.154 244 1HG2 VAL 25 1HG2 VAL 25 -6.075 -12.720 -3.087 245 2HG2 VAL 25 2HG2 VAL 25 -6.481 -11.855 -1.604 246 3HG2 VAL 25 3HG2 VAL 25 -5.972 -13.542 -1.529 247 MG1 VAL 25 MG1 VAL 25 -8.443 -14.345 -0.772 248 MG2 VAL 25 MG2 VAL 25 -6.176 -12.706 -2.074 249 QG VAL 25 QG VAL 25 -7.309 -13.526 -1.423 250 H ARG 26 H ARG 26 -8.565 -16.167 -2.188 251 HA ARG 26 HA ARG 26 -5.929 -17.324 -2.341 252 1HB ARG 26 1HB ARG 26 -8.083 -17.758 -0.753 253 2HB ARG 26 2HB ARG 26 -8.241 -19.121 -1.862 254 1HG ARG 26 2HG ARG 26 -5.526 -19.081 -1.290 255 2HG ARG 26 1HG ARG 26 -6.713 -20.166 -0.564 256 1HD ARG 26 1HD ARG 26 -5.293 -18.863 1.091 257 2HD ARG 26 2HD ARG 26 -6.107 -17.404 0.523 258 HE ARG 26 HE ARG 26 -7.970 -19.495 1.332 259 1HH1 ARG 26 1HH1 ARG 26 -8.663 -16.676 1.701 260 2HH1 ARG 26 2HH1 ARG 26 -8.399 -16.415 3.393 261 1HH2 ARG 26 1HH2 ARG 26 -6.463 -19.262 3.799 262 2HH2 ARG 26 2HH2 ARG 26 -7.154 -17.880 4.582 263 QB ARG 26 QB ARG 26 -8.162 -18.440 -1.307 264 QG ARG 26 QG ARG 26 -6.120 -19.624 -0.927 265 QD ARG 26 QD ARG 26 -5.700 -18.133 0.807 266 QH1 ARG 26 QH1 ARG 26 -8.531 -16.546 2.547 267 QH2 ARG 26 QH2 ARG 26 -6.808 -18.571 4.190 268 H ASP 27 H ASP 27 -8.893 -17.748 -4.244 269 HA ASP 27 HA ASP 27 -8.046 -20.073 -5.679 270 1HB ASP 27 1HB ASP 27 -10.093 -17.942 -6.067 271 2HB ASP 27 2HB ASP 27 -9.645 -18.889 -7.486 272 QB ASP 27 QB ASP 27 -9.869 -18.415 -6.776 273 H GLU 28 H GLU 28 -7.069 -16.761 -5.899 274 HA GLU 28 HA GLU 28 -6.196 -16.782 -8.638 275 1HB GLU 28 1HB GLU 28 -5.230 -15.179 -6.250 276 2HB GLU 28 2HB GLU 28 -4.720 -14.879 -7.911 277 1HG GLU 28 1HG GLU 28 -7.329 -14.838 -8.362 278 2HG GLU 28 2HG GLU 28 -7.399 -14.444 -6.644 279 QB GLU 28 QB GLU 28 -4.975 -15.029 -7.080 280 QG GLU 28 QG GLU 28 -7.364 -14.641 -7.503 281 H ILE 29 H ILE 29 -4.693 -17.785 -5.592 282 HA ILE 29 HA ILE 29 -2.087 -18.201 -6.721 283 HB ILE 29 HB ILE 29 -2.777 -18.063 -4.229 284 1HG1 ILE 29 2HG1 ILE 29 -0.624 -19.456 -5.606 285 2HG1 ILE 29 1HG1 ILE 29 -0.921 -20.149 -4.012 286 1HG2 ILE 29 1HG2 ILE 29 -4.264 -20.247 -4.791 287 2HG2 ILE 29 2HG2 ILE 29 -2.778 -21.036 -4.264 288 3HG2 ILE 29 3HG2 ILE 29 -3.616 -19.922 -3.183 289 1HD1 ILE 29 1HD1 ILE 29 -1.073 -17.332 -3.715 290 2HD1 ILE 29 2HD1 ILE 29 0.180 -18.409 -3.098 291 3HD1 ILE 29 3HD1 ILE 29 0.364 -17.659 -4.684 292 MG ILE 29 MG ILE 29 -3.553 -20.402 -4.079 293 MD ILE 29 MD ILE 29 -0.176 -17.800 -3.832 294 QG ILE 29 QG ILE 29 -0.772 -19.803 -4.809 295 H ASN 30 H ASN 30 -4.720 -19.680 -7.755 296 HA ASN 30 HA ASN 30 -3.613 -22.401 -7.919 297 1HB ASN 30 1HB ASN 30 -6.240 -21.312 -7.913 298 2HB ASN 30 2HB ASN 30 -5.988 -22.045 -9.497 299 2HD2 ASN 30 1HD2 ASN 30 -5.024 -22.915 -6.117 300 1HD2 ASN 30 2HD2 ASN 30 -5.541 -24.528 -6.235 301 QB ASN 30 QB ASN 30 -6.114 -21.678 -8.705 302 QD ASN 30 QD ASN 30 -5.283 -23.721 -6.176 303 H LYS 31 H LYS 31 -5.003 -20.070 -10.266 304 HA LYS 31 HA LYS 31 -2.874 -20.953 -12.168 305 1HB LYS 31 1HB LYS 31 -5.805 -20.400 -12.630 306 2HB LYS 31 2HB LYS 31 -4.638 -20.324 -13.950 307 1HG LYS 31 1HG LYS 31 -3.882 -22.673 -13.021 308 2HG LYS 31 2HG LYS 31 -5.502 -22.692 -12.324 309 1HD LYS 31 1HD LYS 31 -6.042 -21.846 -14.861 310 2HD LYS 31 2HD LYS 31 -4.665 -22.909 -15.150 311 1HE LYS 31 1HE LYS 31 -6.497 -24.380 -15.258 312 2HE LYS 31 2HE LYS 31 -5.925 -24.581 -13.602 313 1HZ LYS 31 1HZ LYS 31 -7.741 -22.419 -13.761 314 2HZ LYS 31 2HZ LYS 31 -8.450 -23.816 -14.420 315 3HZ LYS 31 3HZ LYS 31 -7.846 -23.835 -12.832 316 QB LYS 31 QB LYS 31 -5.221 -20.362 -13.290 317 QD LYS 31 QD LYS 31 -5.353 -22.377 -15.006 318 QG LYS 31 QG LYS 31 -4.692 -22.682 -12.672 319 QE LYS 31 QE LYS 31 -6.211 -24.481 -14.430 320 QZ LYS 31 QZ LYS 31 -8.012 -23.357 -13.671 321 H ARG 32 H ARG 32 -2.673 -18.694 -10.356 322 HA ARG 32 HA ARG 32 -3.326 -16.233 -11.708 323 1HB ARG 32 1HB ARG 32 -1.536 -15.305 -10.102 324 2HB ARG 32 2HB ARG 32 -2.953 -16.052 -9.367 325 1HG ARG 32 1HG ARG 32 -1.776 -17.994 -8.768 326 2HG ARG 32 2HG ARG 32 -0.516 -17.713 -9.966 327 1HD ARG 32 1HD ARG 32 -0.796 -15.583 -7.936 328 2HD ARG 32 2HD ARG 32 -0.243 -17.137 -7.312 329 HE ARG 32 HE ARG 32 1.210 -15.431 -9.245 330 1HH1 ARG 32 1HH1 ARG 32 0.984 -18.652 -9.342 331 2HH1 ARG 32 2HH1 ARG 32 2.578 -19.019 -8.774 332 1HH2 ARG 32 1HH2 ARG 32 3.238 -15.784 -7.720 333 2HH2 ARG 32 2HH2 ARG 32 3.853 -17.397 -7.856 334 QB ARG 32 QB ARG 32 -2.245 -15.679 -9.735 335 QG ARG 32 QG ARG 32 -1.146 -17.853 -9.367 336 QD ARG 32 QD ARG 32 -0.520 -16.360 -7.624 337 QH1 ARG 32 QH1 ARG 32 1.781 -18.836 -9.058 338 QH2 ARG 32 QH2 ARG 32 3.545 -16.591 -7.788 339 H GLY 33 H GLY 33 -2.480 -16.806 -13.864 340 1HA GLY 33 1HA GLY 33 0.475 -16.864 -14.099 341 2HA GLY 33 2HA GLY 33 -0.662 -17.205 -15.404 342 QA GLY 33 QA GLY 33 -0.093 -17.035 -14.752 343 H ARG 34 H ARG 34 -2.270 -14.770 -14.609 344 HA ARG 34 HA ARG 34 -0.385 -12.683 -15.627 345 1HB ARG 34 2HB ARG 34 -2.011 -13.575 -17.371 346 2HB ARG 34 1HB ARG 34 -2.079 -11.833 -17.098 347 1HG ARG 34 1HG ARG 34 -3.871 -13.721 -15.572 348 2HG ARG 34 2HG ARG 34 -4.079 -11.992 -15.852 349 1HD ARG 34 1HD ARG 34 -4.285 -14.187 -17.933 350 2HD ARG 34 2HD ARG 34 -5.613 -13.216 -17.298 351 HE ARG 34 HE ARG 34 -4.592 -11.254 -18.427 352 1HH1 ARG 34 1HH1 ARG 34 -4.455 -14.312 -19.800 353 2HH1 ARG 34 2HH1 ARG 34 -3.334 -13.895 -21.053 354 1HH2 ARG 34 1HH2 ARG 34 -2.690 -10.732 -19.785 355 2HH2 ARG 34 2HH2 ARG 34 -2.334 -11.868 -21.044 356 QB ARG 34 QB ARG 34 -2.045 -12.704 -17.235 357 QG ARG 34 QG ARG 34 -3.975 -12.857 -15.712 358 QD ARG 34 QD ARG 34 -4.949 -13.702 -17.616 359 QH1 ARG 34 QH1 ARG 34 -3.895 -14.103 -20.426 360 QH2 ARG 34 QH2 ARG 34 -2.512 -11.300 -20.414 No H/Q in entry = 360 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -11.136 17.519 5.736 2 H2 MET 1 H2 MET 1 -11.193 18.020 7.358 3 H3 MET 1 H3 MET 1 -10.280 16.660 6.925 4 HA MET 1 HA MET 1 -12.039 15.437 7.484 5 1HB MET 1 1HB MET 1 -12.935 17.445 8.683 6 2HB MET 1 2HB MET 1 -13.741 17.930 7.192 7 1HG MET 1 1HG MET 1 -14.369 15.185 7.669 8 2HG MET 1 2HG MET 1 -14.655 16.073 9.165 9 1HE MET 1 1HE MET 1 -16.593 16.082 9.611 10 2HE MET 1 2HE MET 1 -17.794 17.230 9.024 11 3HE MET 1 3HE MET 1 -17.809 15.558 8.447 12 QB MET 1 QB MET 1 -13.338 17.688 7.937 13 QG MET 1 QG MET 1 -14.512 15.629 8.417 14 ME MET 1 ME MET 1 -17.399 16.290 9.027 15 H SER 2 H SER 2 -11.711 14.395 5.392 16 HA SER 2 HA SER 2 -13.678 15.260 3.318 17 1HB SER 2 1HB SER 2 -11.949 13.367 2.180 18 2HB SER 2 2HB SER 2 -11.924 15.109 1.925 19 HG SER 2 HG SER 2 -10.421 15.320 3.508 20 QB SER 2 QB SER 2 -11.936 14.238 2.053 21 H TRP 3 H TRP 3 -14.155 13.534 5.727 22 HA TRP 3 HA TRP 3 -15.073 11.424 6.268 23 1HB TRP 3 1HB TRP 3 -16.822 10.943 4.190 24 2HB TRP 3 2HB TRP 3 -17.152 11.988 5.569 25 HD1 TRP 3 HD1 TRP 3 -16.395 14.636 5.221 26 HE1 TRP 3 HE1 TRP 3 -16.611 16.099 3.112 27 HE3 TRP 3 HE3 TRP 3 -16.887 10.997 1.661 28 HZ2 TRP 3 HZ2 TRP 3 -16.945 15.774 0.294 29 HZ3 TRP 3 HZ3 TRP 3 -17.151 11.606 -0.723 30 HH2 TRP 3 HH2 TRP 3 -17.182 13.986 -1.413 31 QB TRP 3 QB TRP 3 -16.987 11.466 4.880 32 H ALA 4 H ALA 4 -15.522 10.783 2.857 33 HA ALA 4 HA ALA 4 -14.618 8.149 2.910 34 1HB ALA 4 3HB ALA 4 -15.623 8.591 0.892 35 2HB ALA 4 1HB ALA 4 -14.921 10.206 0.780 36 3HB ALA 4 2HB ALA 4 -13.946 8.790 0.381 37 MB ALA 4 MB ALA 4 -14.830 9.196 0.684 38 H LEU 5 H LEU 5 -12.678 10.575 1.212 39 HA LEU 5 HA LEU 5 -10.259 9.247 1.184 40 1HB LEU 5 1HB LEU 5 -11.073 11.722 0.443 41 2HB LEU 5 2HB LEU 5 -10.079 12.139 1.838 42 HG LEU 5 HG LEU 5 -8.806 10.138 0.131 43 1HD1 LEU 5 1HD1 LEU 5 -10.257 12.048 -1.277 44 2HD1 LEU 5 2HD1 LEU 5 -8.637 12.743 -1.197 45 3HD1 LEU 5 3HD1 LEU 5 -8.878 11.143 -1.900 46 1HD2 LEU 5 1HD2 LEU 5 -8.174 12.755 1.459 47 2HD2 LEU 5 2HD2 LEU 5 -7.390 11.187 1.657 48 3HD2 LEU 5 3HD2 LEU 5 -7.084 12.151 0.211 49 MD1 LEU 5 MD1 LEU 5 -9.257 11.978 -1.458 50 MD2 LEU 5 MD2 LEU 5 -7.549 12.031 1.109 51 QB LEU 5 QB LEU 5 -10.576 11.930 1.140 52 QD LEU 5 QD LEU 5 -8.403 12.004 -0.174 53 H GLU 6 H GLU 6 -11.639 11.031 3.922 54 HA GLU 6 HA GLU 6 -9.334 11.201 5.551 55 1HB GLU 6 1HB GLU 6 -11.319 12.382 6.193 56 2HB GLU 6 2HB GLU 6 -12.251 10.888 6.292 57 1HG GLU 6 1HG GLU 6 -10.601 10.142 8.100 58 2HG GLU 6 2HG GLU 6 -10.014 11.805 8.115 59 QB GLU 6 QB GLU 6 -11.785 11.635 6.243 60 QG GLU 6 QG GLU 6 -10.308 10.974 8.107 61 H MET 7 H MET 7 -11.825 8.608 5.633 62 HA MET 7 HA MET 7 -10.106 7.010 7.395 63 1HB MET 7 1HB MET 7 -12.458 6.877 7.811 64 2HB MET 7 2HB MET 7 -12.807 6.535 6.118 65 1HG MET 7 1HG MET 7 -11.160 4.463 6.630 66 2HG MET 7 2HG MET 7 -11.793 4.723 8.253 67 1HE MET 7 1HE MET 7 -12.450 2.368 8.062 68 2HE MET 7 2HE MET 7 -13.744 3.173 8.948 69 3HE MET 7 3HE MET 7 -14.128 1.957 7.721 70 QB MET 7 QB MET 7 -12.633 6.706 6.964 71 QG MET 7 QG MET 7 -11.476 4.593 7.441 72 ME MET 7 ME MET 7 -13.441 2.499 8.244 73 H ALA 8 H ALA 8 -11.466 6.531 4.117 74 HA ALA 8 HA ALA 8 -10.130 4.115 3.535 75 1HB ALA 8 3HB ALA 8 -11.268 4.393 1.610 76 2HB ALA 8 2HB ALA 8 -10.230 5.750 1.172 77 3HB ALA 8 1HB ALA 8 -11.691 6.027 2.119 78 MB ALA 8 MB ALA 8 -11.063 5.390 1.633 79 H ASP 9 H ASP 9 -8.918 7.433 3.374 80 HA ASP 9 HA ASP 9 -6.699 7.092 1.737 81 1HB ASP 9 1HB ASP 9 -7.106 9.268 2.590 82 2HB ASP 9 2HB ASP 9 -7.043 8.712 4.262 83 QB ASP 9 QB ASP 9 -7.074 8.990 3.426 84 H THR 10 H THR 10 -6.965 6.258 5.184 85 HA THR 10 HA THR 10 -4.244 5.336 5.503 86 HB THR 10 HB THR 10 -5.917 4.119 7.459 87 HG1 THR 10 HG1 THR 10 -6.928 6.157 8.124 88 1HG2 THR 10 1HG2 THR 10 -3.587 5.504 7.385 89 2HG2 THR 10 2HG2 THR 10 -4.669 6.751 8.008 90 3HG2 THR 10 3HG2 THR 10 -4.498 5.221 8.869 91 MG THR 10 MG THR 10 -4.251 5.825 8.087 92 H PHE 11 H PHE 11 -5.355 3.974 3.269 93 HA PHE 11 HA PHE 11 -4.422 1.380 3.474 94 1HB PHE 11 1HB PHE 11 -6.659 1.376 5.040 95 2HB PHE 11 2HB PHE 11 -7.394 1.081 3.462 96 HD1 PHE 11 HD1 PHE 11 -4.488 -0.049 5.547 97 HD2 PHE 11 HD2 PHE 11 -7.449 -1.115 2.619 98 HE1 PHE 11 HE1 PHE 11 -3.709 -2.401 5.615 99 HE2 PHE 11 HE2 PHE 11 -6.669 -3.469 2.693 100 HZ PHE 11 HZ PHE 11 -4.798 -4.112 4.190 101 QB PHE 11 QB PHE 11 -7.027 1.228 4.251 102 QD PHE 11 QD PHE 11 -5.969 -0.582 4.083 103 QE PHE 11 QE PHE 11 -5.189 -2.935 4.154 104 QR PHE 11 QR PHE 11 -5.423 -2.229 4.133 105 H LEU 12 H LEU 12 -7.384 2.841 2.483 106 HA LEU 12 HA LEU 12 -7.450 1.897 -0.202 107 1HB LEU 12 1HB LEU 12 -9.072 3.435 1.597 108 2HB LEU 12 2HB LEU 12 -8.958 4.299 0.067 109 HG LEU 12 HG LEU 12 -10.852 2.816 -0.062 110 1HD1 LEU 12 1HD1 LEU 12 -8.851 2.852 -1.890 111 2HD1 LEU 12 2HD1 LEU 12 -8.925 1.126 -1.538 112 3HD1 LEU 12 3HD1 LEU 12 -10.360 1.969 -2.120 113 1HD2 LEU 12 1HD2 LEU 12 -9.529 1.269 1.748 114 2HD2 LEU 12 2HD2 LEU 12 -10.914 0.705 0.813 115 3HD2 LEU 12 3HD2 LEU 12 -9.276 0.328 0.278 116 MD1 LEU 12 MD1 LEU 12 -9.378 1.982 -1.849 117 MD2 LEU 12 MD2 LEU 12 -9.906 0.767 0.947 118 QB LEU 12 QB LEU 12 -9.015 3.867 0.832 119 QD LEU 12 QD LEU 12 -9.642 1.375 -0.451 120 H ASP 13 H ASP 13 -5.317 4.128 1.130 121 HA ASP 13 HA ASP 13 -5.280 6.429 -0.350 122 1HB ASP 13 1HB ASP 13 -3.529 5.823 1.279 123 2HB ASP 13 2HB ASP 13 -2.864 4.661 0.132 124 QB ASP 13 QB ASP 13 -3.196 5.242 0.705 125 H ASN 14 H ASN 14 -3.549 3.507 -1.576 126 HA ASN 14 HA ASN 14 -4.135 4.549 -4.324 127 1HB ASN 14 2HB ASN 14 -2.093 3.464 -5.077 128 2HB ASN 14 1HB ASN 14 -1.838 2.755 -3.482 129 2HD2 ASN 14 1HD2 ASN 14 -2.660 6.091 -4.621 130 1HD2 ASN 14 2HD2 ASN 14 -1.421 6.850 -3.744 131 QB ASN 14 QB ASN 14 -1.966 3.109 -4.280 132 QD ASN 14 QD ASN 14 -2.041 6.470 -4.183 133 H MET 15 H MET 15 -5.967 2.980 -2.877 134 HA MET 15 HA MET 15 -5.937 0.451 -4.495 135 1HB MET 15 1HB MET 15 -5.346 0.271 -1.959 136 2HB MET 15 2HB MET 15 -7.065 0.568 -1.705 137 1HG MET 15 2HG MET 15 -7.357 -1.336 -3.502 138 2HG MET 15 1HG MET 15 -7.022 -1.754 -1.821 139 1HE MET 15 1HE MET 15 -6.621 -3.965 -3.121 140 2HE MET 15 2HE MET 15 -4.939 -4.500 -3.256 141 3HE MET 15 3HE MET 15 -5.563 -3.921 -1.714 142 QB MET 15 QB MET 15 -6.206 0.420 -1.832 143 QG MET 15 QG MET 15 -7.189 -1.545 -2.662 144 ME MET 15 ME MET 15 -5.708 -4.129 -2.697 145 H ARG 16 H ARG 16 -7.304 2.856 -5.206 146 HA ARG 16 HA ARG 16 -9.873 3.278 -4.374 147 1HB ARG 16 1HB ARG 16 -8.461 3.661 -6.848 148 2HB ARG 16 2HB ARG 16 -10.137 3.208 -7.168 149 1HG ARG 16 1HG ARG 16 -10.831 4.956 -5.463 150 2HG ARG 16 2HG ARG 16 -9.153 5.499 -5.446 151 1HD ARG 16 2HD ARG 16 -9.422 5.639 -8.035 152 2HD ARG 16 1HD ARG 16 -10.137 6.910 -7.043 153 HE ARG 16 HE ARG 16 -12.320 5.652 -7.289 154 1HH1 ARG 16 1HH1 ARG 16 -10.059 6.129 -9.738 155 2HH1 ARG 16 2HH1 ARG 16 -10.862 5.139 -10.911 156 1HH2 ARG 16 1HH2 ARG 16 -13.218 3.937 -8.662 157 2HH2 ARG 16 2HH2 ARG 16 -12.656 3.895 -10.299 158 QB ARG 16 QB ARG 16 -9.299 3.435 -7.008 159 QG ARG 16 QG ARG 16 -9.992 5.228 -5.454 160 QD ARG 16 QD ARG 16 -9.780 6.275 -7.539 161 QH1 ARG 16 QH1 ARG 16 -10.461 5.634 -10.324 162 QH2 ARG 16 QH2 ARG 16 -12.937 3.916 -9.481 163 H VAL 17 H VAL 17 -9.286 0.945 -7.005 164 HA VAL 17 HA VAL 17 -11.664 -0.542 -5.953 165 HB VAL 17 HB VAL 17 -11.834 -1.473 -8.317 166 1HG1 VAL 17 1HG1 VAL 17 -13.088 0.571 -7.228 167 2HG1 VAL 17 2HG1 VAL 17 -12.136 1.511 -8.376 168 3HG1 VAL 17 3HG1 VAL 17 -13.241 0.267 -8.960 169 1HG2 VAL 17 1HG2 VAL 17 -9.912 0.817 -8.839 170 2HG2 VAL 17 2HG2 VAL 17 -9.562 -0.898 -9.055 171 3HG2 VAL 17 3HG2 VAL 17 -10.756 -0.106 -10.084 172 MG1 VAL 17 MG1 VAL 17 -12.821 0.783 -8.188 173 MG2 VAL 17 MG2 VAL 17 -10.076 -0.062 -9.326 174 QG VAL 17 QG VAL 17 -11.449 0.360 -8.757 175 H GLY 18 H GLY 18 -9.330 -1.182 -4.711 176 1HA GLY 18 1HA GLY 18 -8.378 -3.638 -6.117 177 2HA GLY 18 2HA GLY 18 -7.463 -2.789 -4.874 178 QA GLY 18 QA GLY 18 -7.920 -3.213 -5.495 179 1HB PRO 19 1HB PRO 19 -10.005 -8.336 -3.856 180 2HB PRO 19 2HB PRO 19 -11.256 -7.336 -4.613 181 1HG PRO 19 2HG PRO 19 -9.955 -7.523 -6.511 182 2HG PRO 19 1HG PRO 19 -8.509 -7.961 -5.586 183 1HD PRO 19 1HD PRO 19 -7.799 -5.795 -5.872 184 2HD PRO 19 2HD PRO 19 -9.379 -5.303 -6.519 185 QB PRO 19 QB PRO 19 -10.630 -7.836 -4.234 186 QG PRO 19 QG PRO 19 -9.232 -7.742 -6.048 187 QD PRO 19 QD PRO 19 -8.589 -5.549 -6.195 188 H ARG 20 H ARG 20 -9.940 -7.948 -1.578 189 HA ARG 20 HA ARG 20 -7.051 -7.637 -0.888 190 1HB ARG 20 1HB ARG 20 -8.576 -6.341 0.686 191 2HB ARG 20 2HB ARG 20 -9.242 -7.896 1.187 192 1HG ARG 20 1HG ARG 20 -7.520 -7.468 2.756 193 2HG ARG 20 2HG ARG 20 -6.796 -8.598 1.609 194 1HD ARG 20 1HD ARG 20 -5.385 -7.019 0.736 195 2HD ARG 20 2HD ARG 20 -6.549 -5.711 0.949 196 HE ARG 20 HE ARG 20 -5.810 -5.486 3.246 197 1HH1 ARG 20 1HH1 ARG 20 -5.102 -7.852 4.453 198 2HH1 ARG 20 2HH1 ARG 20 -3.397 -8.054 4.219 199 1HH2 ARG 20 1HH2 ARG 20 -3.219 -5.759 1.621 200 2HH2 ARG 20 2HH2 ARG 20 -2.330 -6.867 2.612 201 QB ARG 20 QB ARG 20 -8.909 -7.119 0.936 202 QG ARG 20 QG ARG 20 -7.158 -8.033 2.183 203 QD ARG 20 QD ARG 20 -5.967 -6.365 0.842 204 QH1 ARG 20 QH1 ARG 20 -4.250 -7.953 4.336 205 QH2 ARG 20 QH2 ARG 20 -2.774 -6.313 2.117 206 H THR 21 H THR 21 -9.825 -9.534 0.328 207 HA THR 21 HA THR 21 -8.488 -12.011 -0.591 208 HB THR 21 HB THR 21 -9.148 -12.863 1.863 209 HG1 THR 21 HG1 THR 21 -9.616 -11.225 3.070 210 1HG2 THR 21 1HG2 THR 21 -6.904 -12.940 0.763 211 2HG2 THR 21 2HG2 THR 21 -6.623 -11.284 1.301 212 3HG2 THR 21 3HG2 THR 21 -6.810 -12.576 2.487 213 MG THR 21 MG THR 21 -6.779 -12.267 1.517 214 H TYR 22 H TYR 22 -9.981 -13.881 -0.464 215 HA TYR 22 HA TYR 22 -12.846 -12.997 -0.499 216 1HB TYR 22 2HB TYR 22 -13.250 -14.551 -2.279 217 2HB TYR 22 1HB TYR 22 -11.669 -15.302 -2.069 218 HD1 TYR 22 HD1 TYR 22 -9.586 -13.804 -2.431 219 HD2 TYR 22 HD2 TYR 22 -13.527 -12.771 -3.793 220 HE1 TYR 22 HE1 TYR 22 -8.605 -12.203 -4.052 221 HE2 TYR 22 HE2 TYR 22 -12.545 -11.170 -5.413 222 HH TYR 22 HH TYR 22 -9.018 -10.848 -5.774 223 QB TYR 22 QB TYR 22 -12.460 -14.926 -2.174 224 QD TYR 22 QD TYR 22 -11.556 -13.288 -3.112 225 QE TYR 22 QE TYR 22 -10.575 -11.687 -4.733 226 QR TYR 22 QR TYR 22 -11.066 -12.487 -3.922 227 H ALA 23 H ALA 23 -10.954 -16.042 -0.234 228 HA ALA 23 HA ALA 23 -12.817 -17.634 1.003 229 1HB ALA 23 2HB ALA 23 -10.269 -17.837 2.407 230 2HB ALA 23 1HB ALA 23 -10.067 -17.752 0.657 231 3HB ALA 23 3HB ALA 23 -11.069 -19.017 1.368 232 MB ALA 23 MB ALA 23 -10.468 -18.202 1.477 233 H ASP 24 H ASP 24 -11.194 -14.912 2.352 234 HA ASP 24 HA ASP 24 -11.830 -15.396 5.124 235 1HB ASP 24 1HB ASP 24 -11.155 -12.847 3.632 236 2HB ASP 24 2HB ASP 24 -11.323 -12.946 5.386 237 QB ASP 24 QB ASP 24 -11.239 -12.897 4.509 238 H VAL 25 H VAL 25 -13.049 -12.555 3.378 239 HA VAL 25 HA VAL 25 -15.327 -12.121 4.885 240 HB VAL 25 HB VAL 25 -14.999 -11.799 1.886 241 1HG1 VAL 25 1HG1 VAL 25 -17.146 -10.802 3.778 242 2HG1 VAL 25 2HG1 VAL 25 -16.887 -10.139 2.164 243 3HG1 VAL 25 3HG1 VAL 25 -17.368 -11.825 2.358 244 1HG2 VAL 25 1HG2 VAL 25 -14.749 -9.882 4.227 245 2HG2 VAL 25 2HG2 VAL 25 -13.425 -10.484 3.229 246 3HG2 VAL 25 3HG2 VAL 25 -14.642 -9.416 2.530 247 MG1 VAL 25 MG1 VAL 25 -17.134 -10.922 2.767 248 MG2 VAL 25 MG2 VAL 25 -14.272 -9.927 3.328 249 QG VAL 25 QG VAL 25 -15.703 -10.425 3.048 250 H ARG 26 H ARG 26 -15.167 -14.188 1.971 251 HA ARG 26 HA ARG 26 -17.808 -15.105 1.918 252 1HB ARG 26 1HB ARG 26 -15.179 -16.266 1.120 253 2HB ARG 26 2HB ARG 26 -16.559 -17.364 1.194 254 1HG ARG 26 1HG ARG 26 -16.932 -14.728 -0.169 255 2HG ARG 26 2HG ARG 26 -16.030 -15.983 -1.017 256 1HD ARG 26 1HD ARG 26 -18.228 -17.336 0.037 257 2HD ARG 26 2HD ARG 26 -18.895 -15.797 -0.509 258 HE ARG 26 HE ARG 26 -17.800 -17.900 -2.224 259 1HH1 ARG 26 1HH1 ARG 26 -16.625 -14.980 -2.556 260 2HH1 ARG 26 2HH1 ARG 26 -17.563 -14.461 -3.918 261 1HH2 ARG 26 1HH2 ARG 26 -19.834 -17.069 -3.682 262 2HH2 ARG 26 2HH2 ARG 26 -19.380 -15.644 -4.554 263 QB ARG 26 QB ARG 26 -15.869 -16.815 1.157 264 QG ARG 26 QG ARG 26 -16.481 -15.355 -0.593 265 QD ARG 26 QD ARG 26 -18.561 -16.566 -0.236 266 QH1 ARG 26 QH1 ARG 26 -17.094 -14.720 -3.237 267 QH2 ARG 26 QH2 ARG 26 -19.607 -16.357 -4.118 268 H ASP 27 H ASP 27 -15.116 -16.365 3.889 269 HA ASP 27 HA ASP 27 -16.610 -18.491 5.100 270 1HB ASP 27 1HB ASP 27 -14.096 -18.255 5.143 271 2HB ASP 27 2HB ASP 27 -14.296 -16.959 6.323 272 QB ASP 27 QB ASP 27 -14.196 -17.607 5.733 273 H GLU 28 H GLU 28 -16.223 -15.070 5.925 274 HA GLU 28 HA GLU 28 -17.334 -15.150 8.525 275 1HB GLU 28 1HB GLU 28 -16.843 -13.122 6.491 276 2HB GLU 28 2HB GLU 28 -18.349 -12.809 7.353 277 1HG GLU 28 2HG GLU 28 -16.526 -13.577 9.345 278 2HG GLU 28 1HG GLU 28 -17.109 -11.943 9.027 279 QB GLU 28 QB GLU 28 -17.596 -12.966 6.922 280 QG GLU 28 QG GLU 28 -16.818 -12.760 9.186 281 H ILE 29 H ILE 29 -18.891 -15.187 5.346 282 HA ILE 29 HA ILE 29 -21.564 -15.086 6.552 283 HB ILE 29 HB ILE 29 -20.713 -14.308 4.137 284 1HG1 ILE 29 2HG1 ILE 29 -23.134 -14.602 3.365 285 2HG1 ILE 29 1HG1 ILE 29 -22.906 -13.760 4.897 286 1HG2 ILE 29 1HG2 ILE 29 -20.251 -16.853 3.681 287 2HG2 ILE 29 2HG2 ILE 29 -21.989 -16.919 3.385 288 3HG2 ILE 29 3HG2 ILE 29 -20.969 -15.857 2.415 289 1HD1 ILE 29 1HD1 ILE 29 -23.270 -15.958 6.070 290 2HD1 ILE 29 2HD1 ILE 29 -24.682 -15.381 5.187 291 3HD1 ILE 29 3HD1 ILE 29 -23.681 -16.665 4.508 292 MG ILE 29 MG ILE 29 -21.070 -16.543 3.161 293 MD ILE 29 MD ILE 29 -23.878 -16.002 5.255 294 QG ILE 29 QG ILE 29 -23.020 -14.181 4.131 295 H ASN 30 H ASN 30 -19.774 -17.226 7.347 296 HA ASN 30 HA ASN 30 -21.497 -19.542 6.666 297 1HB ASN 30 1HB ASN 30 -19.257 -19.670 5.512 298 2HB ASN 30 2HB ASN 30 -18.499 -19.672 7.104 299 2HD2 ASN 30 1HD2 ASN 30 -18.165 -21.902 5.393 300 1HD2 ASN 30 2HD2 ASN 30 -19.007 -23.228 6.037 301 QB ASN 30 QB ASN 30 -18.878 -19.671 6.308 302 QD ASN 30 QD ASN 30 -18.586 -22.565 5.715 303 H LYS 31 H LYS 31 -18.795 -18.756 8.890 304 HA LYS 31 HA LYS 31 -20.174 -20.130 11.080 305 1HB LYS 31 1HB LYS 31 -17.535 -19.683 10.525 306 2HB LYS 31 2HB LYS 31 -17.848 -18.414 11.710 307 1HG LYS 31 1HG LYS 31 -18.471 -21.359 12.083 308 2HG LYS 31 2HG LYS 31 -17.116 -20.499 12.816 309 1HD LYS 31 1HD LYS 31 -18.933 -18.888 13.748 310 2HD LYS 31 2HD LYS 31 -20.059 -20.192 13.373 311 1HE LYS 31 1HE LYS 31 -17.553 -20.640 15.003 312 2HE LYS 31 2HE LYS 31 -19.092 -20.193 15.740 313 1HZ LYS 31 1HZ LYS 31 -19.882 -22.175 14.181 314 2HZ LYS 31 2HZ LYS 31 -18.291 -22.689 14.479 315 3HZ LYS 31 3HZ LYS 31 -19.350 -22.419 15.775 316 QB LYS 31 QB LYS 31 -17.692 -19.048 11.117 317 QD LYS 31 QD LYS 31 -19.496 -19.540 13.561 318 QG LYS 31 QG LYS 31 -17.793 -20.929 12.449 319 QE LYS 31 QE LYS 31 -18.323 -20.416 15.372 320 QZ LYS 31 QZ LYS 31 -19.175 -22.428 14.812 321 H ARG 32 H ARG 32 -20.071 -16.917 9.800 322 HA ARG 32 HA ARG 32 -20.919 -15.705 12.365 323 1HB ARG 32 1HB ARG 32 -19.443 -14.730 10.258 324 2HB ARG 32 2HB ARG 32 -21.042 -14.064 9.919 325 1HG ARG 32 1HG ARG 32 -19.741 -13.877 12.645 326 2HG ARG 32 2HG ARG 32 -19.550 -12.631 11.410 327 1HD ARG 32 1HD ARG 32 -21.921 -12.211 11.358 328 2HD ARG 32 2HD ARG 32 -22.245 -13.611 12.380 329 HE ARG 32 HE ARG 32 -21.514 -12.354 14.274 330 1HH1 ARG 32 1HH1 ARG 32 -19.303 -10.906 14.207 331 2HH1 ARG 32 2HH1 ARG 32 -19.678 -9.310 13.648 332 1HH2 ARG 32 1HH2 ARG 32 -22.730 -10.221 12.277 333 2HH2 ARG 32 2HH2 ARG 32 -21.619 -8.922 12.556 334 QB ARG 32 QB ARG 32 -20.243 -14.397 10.088 335 QG ARG 32 QG ARG 32 -19.646 -13.254 12.027 336 QD ARG 32 QD ARG 32 -22.083 -12.911 11.869 337 QH1 ARG 32 QH1 ARG 32 -19.490 -10.108 13.928 338 QH2 ARG 32 QH2 ARG 32 -22.174 -9.572 12.416 339 H GLY 33 H GLY 33 -22.798 -17.500 11.816 340 1HA GLY 33 1HA GLY 33 -25.071 -15.846 10.839 341 2HA GLY 33 2HA GLY 33 -24.850 -17.458 10.161 342 QA GLY 33 QA GLY 33 -24.960 -16.652 10.500 343 H ARG 34 H ARG 34 -24.175 -18.974 12.354 344 HA ARG 34 HA ARG 34 -26.539 -18.603 14.154 345 1HB ARG 34 1HB ARG 34 -26.491 -20.615 12.506 346 2HB ARG 34 2HB ARG 34 -25.268 -21.279 13.591 347 1HG ARG 34 1HG ARG 34 -26.833 -21.061 15.492 348 2HG ARG 34 2HG ARG 34 -28.060 -20.408 14.405 349 1HD ARG 34 2HD ARG 34 -27.890 -22.539 13.066 350 2HD ARG 34 1HD ARG 34 -28.519 -22.763 14.699 351 HE ARG 34 HE ARG 34 -25.721 -23.422 13.874 352 1HH1 ARG 34 1HH1 ARG 34 -24.843 -23.897 16.150 353 2HH1 ARG 34 2HH1 ARG 34 -25.758 -25.101 16.996 354 1HH2 ARG 34 1HH2 ARG 34 -28.479 -24.915 14.853 355 2HH2 ARG 34 2HH2 ARG 34 -27.817 -25.678 16.261 356 QB ARG 34 QB ARG 34 -25.879 -20.947 13.049 357 QG ARG 34 QG ARG 34 -27.447 -20.734 14.948 358 QD ARG 34 QD ARG 34 -28.205 -22.651 13.883 359 QH1 ARG 34 QH1 ARG 34 -25.301 -24.499 16.573 360 QH2 ARG 34 QH2 ARG 34 -28.148 -25.296 15.557 No H/Q in entry = 360 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -10.628 15.518 6.009 2 H2 MET 1 H2 MET 1 -9.063 16.180 6.037 3 H3 MET 1 H3 MET 1 -9.321 14.580 6.549 4 HA MET 1 HA MET 1 -9.507 15.331 8.611 5 1HB MET 1 1HB MET 1 -9.489 17.991 7.192 6 2HB MET 1 2HB MET 1 -9.763 17.902 8.932 7 1HG MET 1 1HG MET 1 -7.545 16.206 8.251 8 2HG MET 1 2HG MET 1 -7.276 17.808 7.564 9 1HE MET 1 1HE MET 1 -6.853 19.581 8.350 10 2HE MET 1 2HE MET 1 -7.548 20.271 9.815 11 3HE MET 1 3HE MET 1 -5.872 19.732 9.814 12 QB MET 1 QB MET 1 -9.626 17.946 8.062 13 QG MET 1 QG MET 1 -7.411 17.007 7.908 14 ME MET 1 ME MET 1 -6.758 19.861 9.327 15 H SER 2 H SER 2 -11.774 14.286 7.468 16 HA SER 2 HA SER 2 -13.916 15.988 8.671 17 1HB SER 2 1HB SER 2 -13.671 15.140 5.948 18 2HB SER 2 2HB SER 2 -15.042 14.297 6.665 19 HG SER 2 HG SER 2 -15.830 16.321 7.350 20 QB SER 2 QB SER 2 -14.356 14.719 6.307 21 H TRP 3 H TRP 3 -12.591 14.076 10.158 22 HA TRP 3 HA TRP 3 -12.823 11.960 11.230 23 1HB TRP 3 1HB TRP 3 -14.941 13.752 11.710 24 2HB TRP 3 2HB TRP 3 -15.692 12.167 11.513 25 HD1 TRP 3 HD1 TRP 3 -15.723 10.734 13.609 26 HE1 TRP 3 HE1 TRP 3 -14.375 10.640 15.803 27 HE3 TRP 3 HE3 TRP 3 -12.262 14.368 12.674 28 HZ2 TRP 3 HZ2 TRP 3 -12.123 11.934 17.003 29 HZ3 TRP 3 HZ3 TRP 3 -10.527 14.917 14.355 30 HH2 TRP 3 HH2 TRP 3 -10.454 13.705 16.519 31 QB TRP 3 QB TRP 3 -15.317 12.959 11.612 32 H ALA 4 H ALA 4 -12.632 11.151 8.644 33 HA ALA 4 HA ALA 4 -13.951 8.733 8.445 34 1HB ALA 4 3HB ALA 4 -16.129 9.346 8.192 35 2HB ALA 4 1HB ALA 4 -15.705 10.998 7.742 36 3HB ALA 4 2HB ALA 4 -15.653 9.714 6.534 37 MB ALA 4 MB ALA 4 -15.829 10.019 7.490 38 H LEU 5 H LEU 5 -13.827 11.413 6.066 39 HA LEU 5 HA LEU 5 -12.839 9.894 3.915 40 1HB LEU 5 1HB LEU 5 -13.377 12.587 4.383 41 2HB LEU 5 2HB LEU 5 -11.653 12.562 4.013 42 HG LEU 5 HG LEU 5 -13.111 10.798 2.231 43 1HD1 LEU 5 1HD1 LEU 5 -14.377 13.335 2.880 44 2HD1 LEU 5 2HD1 LEU 5 -13.909 13.272 1.182 45 3HD1 LEU 5 3HD1 LEU 5 -14.964 12.028 1.852 46 1HD2 LEU 5 1HD2 LEU 5 -10.996 12.806 2.221 47 2HD2 LEU 5 2HD2 LEU 5 -11.231 11.430 1.144 48 3HD2 LEU 5 3HD2 LEU 5 -12.041 12.960 0.808 49 MD1 LEU 5 MD1 LEU 5 -14.417 12.878 1.971 50 MD2 LEU 5 MD2 LEU 5 -11.423 12.399 1.391 51 QB LEU 5 QB LEU 5 -12.515 12.575 4.198 52 QD LEU 5 QD LEU 5 -12.920 12.638 1.681 53 H GLU 6 H GLU 6 -11.100 11.349 6.624 54 HA GLU 6 HA GLU 6 -8.453 10.991 5.604 55 1HB GLU 6 2HB GLU 6 -9.075 12.366 7.619 56 2HB GLU 6 1HB GLU 6 -7.716 11.276 7.894 57 1HG GLU 6 1HG GLU 6 -10.568 10.504 8.545 58 2HG GLU 6 2HG GLU 6 -9.082 9.725 9.089 59 QB GLU 6 QB GLU 6 -8.395 11.821 7.756 60 QG GLU 6 QG GLU 6 -9.825 10.115 8.817 61 H MET 7 H MET 7 -10.625 8.818 7.375 62 HA MET 7 HA MET 7 -8.594 6.743 7.658 63 1HB MET 7 1HB MET 7 -10.701 7.119 9.123 64 2HB MET 7 2HB MET 7 -11.571 6.286 7.833 65 1HG MET 7 1HG MET 7 -10.679 4.265 8.371 66 2HG MET 7 2HG MET 7 -9.083 4.948 8.681 67 1HE MET 7 1HE MET 7 -12.694 4.740 9.821 68 2HE MET 7 2HE MET 7 -11.993 3.188 10.268 69 3HE MET 7 3HE MET 7 -12.578 4.291 11.521 70 QB MET 7 QB MET 7 -11.136 6.703 8.478 71 QG MET 7 QG MET 7 -9.881 4.606 8.526 72 ME MET 7 ME MET 7 -12.422 4.073 10.537 73 H ALA 8 H ALA 8 -11.669 6.830 5.816 74 HA ALA 8 HA ALA 8 -11.357 4.554 4.274 75 1HB ALA 8 3HB ALA 8 -13.233 5.376 3.349 76 2HB ALA 8 2HB ALA 8 -12.287 6.609 2.513 77 3HB ALA 8 1HB ALA 8 -12.927 6.930 4.125 78 MB ALA 8 MB ALA 8 -12.816 6.305 3.329 79 H ASP 9 H ASP 9 -9.890 7.743 3.633 80 HA ASP 9 HA ASP 9 -8.708 7.070 1.129 81 1HB ASP 9 1HB ASP 9 -8.575 9.241 3.020 82 2HB ASP 9 2HB ASP 9 -6.949 8.836 2.472 83 QB ASP 9 QB ASP 9 -7.762 9.038 2.746 84 H THR 10 H THR 10 -7.474 6.723 4.454 85 HA THR 10 HA THR 10 -4.844 5.931 3.916 86 HB THR 10 HB THR 10 -6.465 4.460 5.978 87 HG1 THR 10 HG1 THR 10 -5.989 7.195 5.750 88 1HG2 THR 10 1HG2 THR 10 -3.969 4.132 5.606 89 2HG2 THR 10 2HG2 THR 10 -3.757 5.793 6.160 90 3HG2 THR 10 3HG2 THR 10 -4.441 4.582 7.243 91 MG THR 10 MG THR 10 -4.056 4.836 6.336 92 H PHE 11 H PHE 11 -7.787 3.922 3.849 93 HA PHE 11 HA PHE 11 -6.316 1.505 3.168 94 1HB PHE 11 1HB PHE 11 -8.997 2.191 3.882 95 2HB PHE 11 2HB PHE 11 -9.047 1.313 2.352 96 HD1 PHE 11 HD1 PHE 11 -7.006 -0.628 2.392 97 HD2 PHE 11 HD2 PHE 11 -9.350 0.785 5.702 98 HE1 PHE 11 HE1 PHE 11 -6.583 -2.751 3.598 99 HE2 PHE 11 HE2 PHE 11 -8.929 -1.340 6.908 100 HZ PHE 11 HZ PHE 11 -7.544 -3.109 5.857 101 QB PHE 11 QB PHE 11 -9.022 1.752 3.117 102 QD PHE 11 QD PHE 11 -8.178 0.078 4.047 103 QE PHE 11 QE PHE 11 -7.756 -2.046 5.253 104 QR PHE 11 QR PHE 11 -7.882 -1.409 4.891 105 H LEU 12 H LEU 12 -8.294 3.829 1.324 106 HA LEU 12 HA LEU 12 -7.928 2.452 -1.188 107 1HB LEU 12 1HB LEU 12 -8.914 5.185 -0.397 108 2HB LEU 12 2HB LEU 12 -8.663 4.777 -2.095 109 HG LEU 12 HG LEU 12 -10.075 2.652 -0.706 110 1HD1 LEU 12 1HD1 LEU 12 -10.979 5.463 -0.321 111 2HD1 LEU 12 2HD1 LEU 12 -12.215 4.286 -0.768 112 3HD1 LEU 12 3HD1 LEU 12 -11.254 4.044 0.691 113 1HD2 LEU 12 1HD2 LEU 12 -9.998 4.017 -3.238 114 2HD2 LEU 12 2HD2 LEU 12 -10.729 2.458 -2.852 115 3HD2 LEU 12 3HD2 LEU 12 -11.667 3.941 -2.676 116 MD1 LEU 12 MD1 LEU 12 -11.483 4.597 -0.133 117 MD2 LEU 12 MD2 LEU 12 -10.798 3.472 -2.922 118 QB LEU 12 QB LEU 12 -8.789 4.981 -1.246 119 QD LEU 12 QD LEU 12 -11.140 4.035 -1.528 120 H ASP 13 H ASP 13 -5.737 4.098 0.703 121 HA ASP 13 HA ASP 13 -4.317 5.709 -1.176 122 1HB ASP 13 1HB ASP 13 -3.983 4.899 1.516 123 2HB ASP 13 2HB ASP 13 -2.505 4.436 0.671 124 QB ASP 13 QB ASP 13 -3.244 4.668 1.094 125 H ASN 14 H ASN 14 -3.565 2.370 -0.098 126 HA ASN 14 HA ASN 14 -1.486 1.890 -1.956 127 1HB ASN 14 1HB ASN 14 -2.243 -0.573 -1.678 128 2HB ASN 14 2HB ASN 14 -1.727 0.293 -0.230 129 2HD2 ASN 14 1HD2 ASN 14 -4.706 -0.510 -2.085 130 1HD2 ASN 14 2HD2 ASN 14 -5.725 -0.539 -0.728 131 QB ASN 14 QB ASN 14 -1.985 -0.140 -0.954 132 QD ASN 14 QD ASN 14 -5.215 -0.525 -1.407 133 H MET 15 H MET 15 -4.852 2.237 -2.515 134 HA MET 15 HA MET 15 -4.440 1.316 -5.324 135 1HB MET 15 1HB MET 15 -6.154 0.106 -3.383 136 2HB MET 15 2HB MET 15 -7.174 0.902 -4.581 137 1HG MET 15 2HG MET 15 -5.296 -0.262 -6.189 138 2HG MET 15 1HG MET 15 -6.845 -1.001 -5.784 139 1HE MET 15 1HE MET 15 -3.385 -0.856 -5.847 140 2HE MET 15 2HE MET 15 -2.664 -2.051 -4.760 141 3HE MET 15 3HE MET 15 -3.466 -2.572 -6.241 142 QB MET 15 QB MET 15 -6.664 0.504 -3.982 143 QG MET 15 QG MET 15 -6.070 -0.632 -5.987 144 ME MET 15 ME MET 15 -3.172 -1.827 -5.616 145 H ARG 16 H ARG 16 -4.100 3.861 -5.060 146 HA ARG 16 HA ARG 16 -6.738 5.214 -5.391 147 1HB ARG 16 1HB ARG 16 -5.121 6.133 -3.682 148 2HB ARG 16 2HB ARG 16 -4.011 6.487 -5.006 149 1HG ARG 16 1HG ARG 16 -6.438 7.545 -5.872 150 2HG ARG 16 2HG ARG 16 -6.389 7.945 -4.155 151 1HD ARG 16 1HD ARG 16 -3.929 8.674 -4.650 152 2HD ARG 16 2HD ARG 16 -4.466 8.730 -6.329 153 HE ARG 16 HE ARG 16 -5.988 10.245 -4.265 154 1HH1 ARG 16 1HH1 ARG 16 -6.707 10.553 -7.119 155 2HH1 ARG 16 2HH1 ARG 16 -5.829 11.972 -7.584 156 1HH2 ARG 16 1HH2 ARG 16 -3.698 11.870 -4.850 157 2HH2 ARG 16 2HH2 ARG 16 -4.121 12.713 -6.302 158 QB ARG 16 QB ARG 16 -4.566 6.310 -4.344 159 QG ARG 16 QG ARG 16 -6.414 7.745 -5.013 160 QD ARG 16 QD ARG 16 -4.197 8.702 -5.490 161 QH1 ARG 16 QH1 ARG 16 -6.268 11.263 -7.351 162 QH2 ARG 16 QH2 ARG 16 -3.910 12.291 -5.576 163 H VAL 17 H VAL 17 -6.601 3.996 -7.570 164 HA VAL 17 HA VAL 17 -6.088 3.957 -9.867 165 HB VAL 17 HB VAL 17 -6.480 6.061 -10.968 166 1HG1 VAL 17 1HG1 VAL 17 -8.012 5.572 -8.434 167 2HG1 VAL 17 2HG1 VAL 17 -8.387 6.992 -9.410 168 3HG1 VAL 17 3HG1 VAL 17 -8.534 5.379 -10.105 169 1HG2 VAL 17 1HG2 VAL 17 -4.799 7.279 -9.430 170 2HG2 VAL 17 2HG2 VAL 17 -6.215 8.189 -9.951 171 3HG2 VAL 17 3HG2 VAL 17 -6.160 7.500 -8.331 172 MG1 VAL 17 MG1 VAL 17 -8.311 5.981 -9.316 173 MG2 VAL 17 MG2 VAL 17 -5.725 7.656 -9.237 174 QG VAL 17 QG VAL 17 -7.018 6.818 -9.277 175 H GLY 18 H GLY 18 -3.823 3.791 -8.081 176 1HA GLY 18 1HA GLY 18 -1.587 3.585 -9.407 177 2HA GLY 18 2HA GLY 18 -1.740 5.337 -9.557 178 QA GLY 18 QA GLY 18 -1.664 4.461 -9.482 179 1HB PRO 19 1HB PRO 19 2.507 3.300 -5.772 180 2HB PRO 19 2HB PRO 19 1.182 2.125 -5.710 181 1HG PRO 19 2HG PRO 19 1.795 1.641 -7.885 182 2HG PRO 19 1HG PRO 19 2.636 3.188 -8.086 183 1HD PRO 19 1HD PRO 19 0.793 3.913 -9.253 184 2HD PRO 19 2HD PRO 19 -0.145 2.485 -8.767 185 QB PRO 19 QB PRO 19 1.844 2.713 -5.741 186 QG PRO 19 QG PRO 19 2.215 2.415 -7.985 187 QD PRO 19 QD PRO 19 0.324 3.199 -9.010 188 H ARG 20 H ARG 20 0.353 5.894 -4.259 189 HA ARG 20 HA ARG 20 1.444 8.180 -5.580 190 1HB ARG 20 1HB ARG 20 1.498 9.206 -3.381 191 2HB ARG 20 2HB ARG 20 0.035 8.226 -3.493 192 1HG ARG 20 1HG ARG 20 1.176 6.379 -2.322 193 2HG ARG 20 2HG ARG 20 2.642 7.353 -2.211 194 1HD ARG 20 1HD ARG 20 1.150 9.104 -1.029 195 2HD ARG 20 2HD ARG 20 -0.008 7.789 -0.837 196 HE ARG 20 HE ARG 20 2.716 7.171 0.075 197 1HH1 ARG 20 1HH1 ARG 20 1.240 5.547 1.570 198 2HH1 ARG 20 2HH1 ARG 20 0.620 6.429 2.924 199 1HH2 ARG 20 1HH2 ARG 20 1.194 9.538 1.494 200 2HH2 ARG 20 2HH2 ARG 20 0.597 8.692 2.882 201 QB ARG 20 QB ARG 20 0.767 8.716 -3.437 202 QG ARG 20 QG ARG 20 1.909 6.866 -2.266 203 QD ARG 20 QD ARG 20 0.571 8.446 -0.933 204 QH1 ARG 20 QH1 ARG 20 0.930 5.988 2.247 205 QH2 ARG 20 QH2 ARG 20 0.895 9.115 2.188 206 H THR 21 H THR 21 2.940 5.395 -4.278 207 HA THR 21 HA THR 21 5.602 6.701 -4.605 208 HB THR 21 HB THR 21 6.273 5.044 -2.663 209 HG1 THR 21 HG1 THR 21 4.517 4.904 -1.172 210 1HG2 THR 21 1HG2 THR 21 5.618 7.782 -2.820 211 2HG2 THR 21 2HG2 THR 21 4.852 7.189 -1.346 212 3HG2 THR 21 3HG2 THR 21 6.588 6.989 -1.579 213 MG THR 21 MG THR 21 5.686 7.320 -1.915 214 H TYR 22 H TYR 22 7.068 5.432 -5.719 215 HA TYR 22 HA TYR 22 6.042 2.854 -6.781 216 1HB TYR 22 1HB TYR 22 8.682 3.413 -7.741 217 2HB TYR 22 2HB TYR 22 7.174 3.432 -8.649 218 HD1 TYR 22 HD1 TYR 22 5.832 5.546 -8.796 219 HD2 TYR 22 HD2 TYR 22 9.752 5.438 -7.039 220 HE1 TYR 22 HE1 TYR 22 5.989 8.013 -8.994 221 HE2 TYR 22 HE2 TYR 22 9.908 7.904 -7.238 222 HH TYR 22 HH TYR 22 7.452 9.772 -8.936 223 QB TYR 22 QB TYR 22 7.928 3.423 -8.195 224 QD TYR 22 QD TYR 22 7.792 5.492 -7.918 225 QE TYR 22 QE TYR 22 7.948 7.959 -8.116 226 QR TYR 22 QR TYR 22 7.870 6.725 -8.017 227 H ALA 23 H ALA 23 9.023 4.008 -5.167 228 HA ALA 23 HA ALA 23 10.282 1.570 -4.812 229 1HB ALA 23 1HB ALA 23 9.998 3.974 -3.055 230 2HB ALA 23 3HB ALA 23 11.442 3.351 -3.853 231 3HB ALA 23 2HB ALA 23 10.809 2.545 -2.417 232 MB ALA 23 MB ALA 23 10.750 3.290 -3.109 233 H ASP 24 H ASP 24 7.943 2.993 -2.679 234 HA ASP 24 HA ASP 24 7.477 0.979 -0.811 235 1HB ASP 24 1HB ASP 24 6.533 3.388 -0.976 236 2HB ASP 24 2HB ASP 24 5.219 2.649 -1.892 237 QB ASP 24 QB ASP 24 5.876 3.018 -1.434 238 H VAL 25 H VAL 25 5.814 1.351 -3.983 239 HA VAL 25 HA VAL 25 4.507 -1.250 -3.401 240 HB VAL 25 HB VAL 25 4.187 0.630 -5.764 241 1HG1 VAL 25 1HG1 VAL 25 2.737 -1.917 -4.988 242 2HG1 VAL 25 2HG1 VAL 25 2.169 -0.795 -6.223 243 3HG1 VAL 25 3HG1 VAL 25 3.697 -1.646 -6.442 244 1HG2 VAL 25 1HG2 VAL 25 2.887 0.378 -3.110 245 2HG2 VAL 25 2HG2 VAL 25 3.010 1.779 -4.173 246 3HG2 VAL 25 3HG2 VAL 25 1.785 0.548 -4.477 247 MG1 VAL 25 MG1 VAL 25 2.867 -1.452 -5.884 248 MG2 VAL 25 MG2 VAL 25 2.561 0.902 -3.920 249 QG VAL 25 QG VAL 25 2.714 -0.275 -4.902 250 H ARG 26 H ARG 26 7.379 -0.209 -4.746 251 HA ARG 26 HA ARG 26 7.535 -2.057 -6.946 252 1HB ARG 26 1HB ARG 26 8.914 0.158 -6.354 253 2HB ARG 26 2HB ARG 26 10.027 -1.049 -5.742 254 1HG ARG 26 1HG ARG 26 10.545 -1.805 -7.819 255 2HG ARG 26 2HG ARG 26 8.868 -1.719 -8.354 256 1HD ARG 26 1HD ARG 26 9.181 0.298 -9.313 257 2HD ARG 26 2HD ARG 26 9.994 0.929 -7.880 258 HE ARG 26 HE ARG 26 12.092 -0.146 -8.761 259 1HH1 ARG 26 1HH1 ARG 26 9.837 1.416 -10.713 260 2HH1 ARG 26 2HH1 ARG 26 10.567 0.963 -12.217 261 1HH2 ARG 26 1HH2 ARG 26 12.863 -1.185 -10.761 262 2HH2 ARG 26 2HH2 ARG 26 12.274 -0.510 -12.244 263 QB ARG 26 QB ARG 26 9.470 -0.445 -6.048 264 QG ARG 26 QG ARG 26 9.707 -1.762 -8.086 265 QD ARG 26 QD ARG 26 9.588 0.614 -8.597 266 QH1 ARG 26 QH1 ARG 26 10.202 1.190 -11.465 267 QH2 ARG 26 QH2 ARG 26 12.569 -0.848 -11.503 268 H ASP 27 H ASP 27 9.521 -2.155 -3.943 269 HA ASP 27 HA ASP 27 10.683 -4.721 -4.249 270 1HB ASP 27 1HB ASP 27 10.991 -3.557 -1.997 271 2HB ASP 27 2HB ASP 27 9.423 -4.196 -1.504 272 QB ASP 27 QB ASP 27 10.207 -3.877 -1.751 273 H GLU 28 H GLU 28 7.369 -4.086 -3.703 274 HA GLU 28 HA GLU 28 6.879 -6.967 -3.790 275 1HB GLU 28 1HB GLU 28 5.252 -4.687 -3.096 276 2HB GLU 28 2HB GLU 28 4.598 -5.343 -4.594 277 1HG GLU 28 1HG GLU 28 4.950 -6.743 -1.940 278 2HG GLU 28 2HG GLU 28 3.458 -6.503 -2.849 279 QB GLU 28 QB GLU 28 4.925 -5.015 -3.845 280 QG GLU 28 QG GLU 28 4.204 -6.623 -2.394 281 H ILE 29 H ILE 29 8.497 -6.838 -5.381 282 HA ILE 29 HA ILE 29 8.902 -6.842 -7.720 283 HB ILE 29 HB ILE 29 7.650 -4.132 -7.599 284 1HG1 ILE 29 1HG1 ILE 29 7.073 -6.000 -9.807 285 2HG1 ILE 29 2HG1 ILE 29 6.529 -6.546 -8.220 286 1HG2 ILE 29 1HG2 ILE 29 9.797 -5.169 -9.314 287 2HG2 ILE 29 2HG2 ILE 29 8.433 -4.488 -10.202 288 3HG2 ILE 29 3HG2 ILE 29 9.296 -3.504 -9.019 289 1HD1 ILE 29 1HD1 ILE 29 5.973 -3.711 -8.714 290 2HD1 ILE 29 2HD1 ILE 29 5.161 -4.786 -9.851 291 3HD1 ILE 29 3HD1 ILE 29 4.902 -4.978 -8.117 292 MG ILE 29 MG ILE 29 9.175 -4.387 -9.512 293 MD ILE 29 MD ILE 29 5.345 -4.492 -8.894 294 QG ILE 29 QG ILE 29 6.801 -6.273 -9.013 295 H ASN 30 H ASN 30 9.790 -3.583 -7.151 296 HA ASN 30 HA ASN 30 12.284 -4.575 -5.825 297 1HB ASN 30 1HB ASN 30 12.171 -2.595 -8.067 298 2HB ASN 30 2HB ASN 30 13.617 -3.091 -7.196 299 2HD2 ASN 30 1HD2 ASN 30 14.022 -3.681 -9.719 300 1HD2 ASN 30 2HD2 ASN 30 13.651 -5.286 -10.127 301 QB ASN 30 QB ASN 30 12.894 -2.843 -7.631 302 QD ASN 30 QD ASN 30 13.836 -4.483 -9.923 303 H LYS 31 H LYS 31 11.345 -3.581 -3.826 304 HA LYS 31 HA LYS 31 12.333 -1.685 -2.445 305 1HB LYS 31 1HB LYS 31 11.003 -0.133 -4.605 306 2HB LYS 31 2HB LYS 31 11.175 0.582 -3.008 307 1HG LYS 31 1HG LYS 31 13.552 0.302 -3.028 308 2HG LYS 31 2HG LYS 31 13.488 -0.712 -4.469 309 1HD LYS 31 1HD LYS 31 12.442 1.339 -5.639 310 2HD LYS 31 2HD LYS 31 13.016 2.264 -4.252 311 1HE LYS 31 1HE LYS 31 15.168 0.607 -5.065 312 2HE LYS 31 2HE LYS 31 14.508 1.332 -6.531 313 1HZ LYS 31 1HZ LYS 31 14.733 3.156 -4.313 314 2HZ LYS 31 2HZ LYS 31 16.226 2.546 -4.849 315 3HZ LYS 31 3HZ LYS 31 15.197 3.356 -5.932 316 QB LYS 31 QB LYS 31 11.089 0.224 -3.807 317 QD LYS 31 QD LYS 31 12.729 1.801 -4.946 318 QG LYS 31 QG LYS 31 13.520 -0.205 -3.748 319 QE LYS 31 QE LYS 31 14.838 0.970 -5.798 320 QZ LYS 31 QZ LYS 31 15.385 3.019 -5.031 321 H ARG 32 H ARG 32 8.889 -2.781 -3.000 322 HA ARG 32 HA ARG 32 7.616 -1.215 -1.059 323 1HB ARG 32 1HB ARG 32 6.478 -2.752 -2.652 324 2HB ARG 32 2HB ARG 32 7.193 -4.129 -1.812 325 1HG ARG 32 1HG ARG 32 5.706 -4.016 -0.087 326 2HG ARG 32 2HG ARG 32 5.776 -2.257 -0.019 327 1HD ARG 32 1HD ARG 32 3.910 -2.034 -1.274 328 2HD ARG 32 2HD ARG 32 4.460 -3.224 -2.448 329 HE ARG 32 HE ARG 32 3.344 -4.159 0.154 330 1HH1 ARG 32 1HH1 ARG 32 2.792 -3.512 -3.175 331 2HH1 ARG 32 2HH1 ARG 32 1.752 -4.876 -3.408 332 1HH2 ARG 32 1HH2 ARG 32 2.160 -6.085 -0.187 333 2HH2 ARG 32 2HH2 ARG 32 1.395 -6.329 -1.721 334 QB ARG 32 QB ARG 32 6.835 -3.441 -2.232 335 QG ARG 32 QG ARG 32 5.741 -3.136 -0.053 336 QD ARG 32 QD ARG 32 4.185 -2.629 -1.861 337 QH1 ARG 32 QH1 ARG 32 2.272 -4.194 -3.292 338 QH2 ARG 32 QH2 ARG 32 1.777 -6.207 -0.954 339 H GLY 33 H GLY 33 10.314 -2.965 -0.349 340 1HA GLY 33 1HA GLY 33 11.216 -3.681 1.681 341 2HA GLY 33 2HA GLY 33 9.894 -2.813 2.459 342 QA GLY 33 QA GLY 33 10.555 -3.247 2.070 343 H ARG 34 H ARG 34 8.611 -4.097 3.664 344 HA ARG 34 HA ARG 34 8.080 -6.876 2.707 345 1HB ARG 34 1HB ARG 34 9.054 -5.960 5.404 346 2HB ARG 34 2HB ARG 34 8.073 -7.420 5.267 347 1HG ARG 34 1HG ARG 34 9.812 -8.603 4.456 348 2HG ARG 34 2HG ARG 34 10.161 -7.369 3.245 349 1HD ARG 34 1HD ARG 34 12.023 -6.898 4.431 350 2HD ARG 34 2HD ARG 34 10.956 -6.197 5.649 351 HE ARG 34 HE ARG 34 11.312 -8.113 7.000 352 1HH1 ARG 34 1HH1 ARG 34 12.224 -8.663 3.720 353 2HH1 ARG 34 2HH1 ARG 34 13.105 -10.111 4.068 354 1HH2 ARG 34 1HH2 ARG 34 12.546 -9.955 7.484 355 2HH2 ARG 34 2HH2 ARG 34 13.292 -10.838 6.195 356 QB ARG 34 QB ARG 34 8.564 -6.690 5.336 357 QG ARG 34 QG ARG 34 9.987 -7.986 3.851 358 QD ARG 34 QD ARG 34 11.490 -6.547 5.040 359 QH1 ARG 34 QH1 ARG 34 12.665 -9.387 3.894 360 QH2 ARG 34 QH2 ARG 34 12.919 -10.397 6.840 No H/Q in entry = 360 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -11.014 13.691 -3.087 2 H2 MET 1 H2 MET 1 -10.656 12.642 -4.377 3 H3 MET 1 H3 MET 1 -11.530 14.073 -4.656 4 HA MET 1 HA MET 1 -13.327 12.764 -4.548 5 1HB MET 1 1HB MET 1 -11.659 10.867 -2.868 6 2HB MET 1 2HB MET 1 -13.278 10.532 -3.485 7 1HG MET 1 1HG MET 1 -11.915 11.350 -5.751 8 2HG MET 1 2HG MET 1 -10.698 10.424 -4.873 9 1HE MET 1 1HE MET 1 -13.336 10.368 -7.355 10 2HE MET 1 2HE MET 1 -11.779 9.621 -7.700 11 3HE MET 1 3HE MET 1 -13.259 8.656 -7.763 12 QB MET 1 QB MET 1 -12.468 10.699 -3.177 13 QG MET 1 QG MET 1 -11.306 10.887 -5.312 14 ME MET 1 ME MET 1 -12.791 9.549 -7.606 15 H SER 2 H SER 2 -15.092 12.631 -3.054 16 HA SER 2 HA SER 2 -14.467 13.739 -0.345 17 1HB SER 2 1HB SER 2 -16.043 14.883 -2.363 18 2HB SER 2 2HB SER 2 -17.200 14.197 -1.229 19 HG SER 2 HG SER 2 -16.683 16.225 -0.500 20 QB SER 2 QB SER 2 -16.621 14.540 -1.796 21 H TRP 3 H TRP 3 -14.559 10.939 -0.931 22 HA TRP 3 HA TRP 3 -17.155 10.138 0.325 23 1HB TRP 3 1HB TRP 3 -15.233 8.688 -1.493 24 2HB TRP 3 2HB TRP 3 -16.433 7.819 -0.534 25 HD1 TRP 3 HD1 TRP 3 -19.012 9.182 -0.765 26 HE1 TRP 3 HE1 TRP 3 -20.184 9.737 -2.992 27 HE3 TRP 3 HE3 TRP 3 -15.006 9.037 -3.930 28 HZ2 TRP 3 HZ2 TRP 3 -19.512 10.071 -5.755 29 HZ3 TRP 3 HZ3 TRP 3 -15.301 9.473 -6.352 30 HH2 TRP 3 HH2 TRP 3 -17.546 9.989 -7.268 31 QB TRP 3 QB TRP 3 -15.833 8.254 -1.014 32 H ALA 4 H ALA 4 -15.587 11.069 2.285 33 HA ALA 4 HA ALA 4 -14.433 10.470 4.248 34 1HB ALA 4 2HB ALA 4 -15.317 7.682 3.437 35 2HB ALA 4 1HB ALA 4 -16.287 8.817 4.376 36 3HB ALA 4 3HB ALA 4 -14.784 8.180 5.043 37 MB ALA 4 MB ALA 4 -15.463 8.226 4.286 38 H LEU 5 H LEU 5 -12.961 10.576 1.689 39 HA LEU 5 HA LEU 5 -11.147 8.338 1.560 40 1HB LEU 5 1HB LEU 5 -11.615 10.117 -0.251 41 2HB LEU 5 2HB LEU 5 -10.488 11.137 0.641 42 HG LEU 5 HG LEU 5 -8.821 9.224 0.507 43 1HD1 LEU 5 1HD1 LEU 5 -10.826 7.637 -0.144 44 2HD1 LEU 5 2HD1 LEU 5 -10.472 8.193 -1.780 45 3HD1 LEU 5 3HD1 LEU 5 -9.228 7.367 -0.841 46 1HD2 LEU 5 1HD2 LEU 5 -9.813 10.895 -1.749 47 2HD2 LEU 5 2HD2 LEU 5 -8.216 10.846 -1.005 48 3HD2 LEU 5 3HD2 LEU 5 -8.686 9.604 -2.165 49 MD1 LEU 5 MD1 LEU 5 -10.176 7.732 -0.922 50 MD2 LEU 5 MD2 LEU 5 -8.905 10.448 -1.640 51 QB LEU 5 QB LEU 5 -11.052 10.627 0.195 52 QD LEU 5 QD LEU 5 -9.540 9.090 -1.281 53 H GLU 6 H GLU 6 -11.338 11.154 3.583 54 HA GLU 6 HA GLU 6 -8.597 11.403 4.329 55 1HB GLU 6 1HB GLU 6 -11.173 11.976 5.809 56 2HB GLU 6 2HB GLU 6 -9.590 12.305 6.515 57 1HG GLU 6 1HG GLU 6 -9.039 13.692 4.503 58 2HG GLU 6 2HG GLU 6 -10.691 13.452 3.933 59 QB GLU 6 QB GLU 6 -10.382 12.141 6.162 60 QG GLU 6 QG GLU 6 -9.865 13.572 4.218 61 H MET 7 H MET 7 -11.233 9.615 5.968 62 HA MET 7 HA MET 7 -9.364 8.211 7.713 63 1HB MET 7 1HB MET 7 -12.151 8.645 7.619 64 2HB MET 7 2HB MET 7 -11.936 6.903 7.436 65 1HG MET 7 1HG MET 7 -10.376 8.374 9.542 66 2HG MET 7 2HG MET 7 -12.059 7.943 9.849 67 1HE MET 7 1HE MET 7 -9.253 7.306 11.084 68 2HE MET 7 2HE MET 7 -8.852 5.592 11.169 69 3HE MET 7 3HE MET 7 -8.341 6.556 9.775 70 QB MET 7 QB MET 7 -12.044 7.774 7.528 71 QG MET 7 QG MET 7 -11.217 8.158 9.695 72 ME MET 7 ME MET 7 -8.815 6.485 10.676 73 H ALA 8 H ALA 8 -11.475 7.216 5.028 74 HA ALA 8 HA ALA 8 -10.743 4.563 4.680 75 1HB ALA 8 3HB ALA 8 -11.673 4.724 2.577 76 2HB ALA 8 2HB ALA 8 -10.854 6.243 2.216 77 3HB ALA 8 1HB ALA 8 -12.277 6.236 3.257 78 MB ALA 8 MB ALA 8 -11.602 5.734 2.683 79 H ASP 9 H ASP 9 -8.820 7.415 4.037 80 HA ASP 9 HA ASP 9 -6.922 6.695 2.222 81 1HB ASP 9 1HB ASP 9 -6.908 8.743 3.729 82 2HB ASP 9 2HB ASP 9 -6.117 7.738 4.944 83 QB ASP 9 QB ASP 9 -6.512 8.241 4.337 84 H THR 10 H THR 10 -7.225 5.321 5.466 85 HA THR 10 HA THR 10 -4.799 3.716 5.326 86 HB THR 10 HB THR 10 -5.522 2.769 7.407 87 HG1 THR 10 HG1 THR 10 -7.559 2.525 7.877 88 1HG2 THR 10 1HG2 THR 10 -4.888 5.211 7.390 89 2HG2 THR 10 2HG2 THR 10 -6.610 5.594 7.356 90 3HG2 THR 10 3HG2 THR 10 -5.923 4.738 8.737 91 MG THR 10 MG THR 10 -5.807 5.181 7.828 92 H PHE 11 H PHE 11 -5.881 3.125 3.000 93 HA PHE 11 HA PHE 11 -6.182 0.413 2.725 94 1HB PHE 11 1HB PHE 11 -8.545 1.598 3.934 95 2HB PHE 11 2HB PHE 11 -8.946 0.928 2.354 96 HD1 PHE 11 HD1 PHE 11 -7.025 -1.329 2.171 97 HD2 PHE 11 HD2 PHE 11 -9.415 0.036 5.470 98 HE1 PHE 11 HE1 PHE 11 -6.998 -3.615 3.138 99 HE2 PHE 11 HE2 PHE 11 -9.388 -2.249 6.435 100 HZ PHE 11 HZ PHE 11 -8.180 -4.073 5.270 101 QB PHE 11 QB PHE 11 -8.746 1.263 3.144 102 QD PHE 11 QD PHE 11 -8.220 -0.646 3.821 103 QE PHE 11 QE PHE 11 -8.193 -2.932 4.787 104 QR PHE 11 QR PHE 11 -8.201 -2.246 4.497 105 H LEU 12 H LEU 12 -8.368 3.040 1.721 106 HA LEU 12 HA LEU 12 -7.937 2.496 -1.106 107 1HB LEU 12 1HB LEU 12 -9.762 4.029 0.502 108 2HB LEU 12 2HB LEU 12 -9.076 5.072 -0.746 109 HG LEU 12 HG LEU 12 -9.599 3.231 -2.419 110 1HD1 LEU 12 1HD1 LEU 12 -10.789 2.098 0.088 111 2HD1 LEU 12 2HD1 LEU 12 -11.608 1.800 -1.446 112 3HD1 LEU 12 3HD1 LEU 12 -9.939 1.273 -1.219 113 1HD2 LEU 12 1HD2 LEU 12 -11.033 5.320 -1.864 114 2HD2 LEU 12 2HD2 LEU 12 -11.813 4.003 -2.742 115 3HD2 LEU 12 3HD2 LEU 12 -12.090 4.195 -1.011 116 MD1 LEU 12 MD1 LEU 12 -10.779 1.724 -0.859 117 MD2 LEU 12 MD2 LEU 12 -11.645 4.506 -1.872 118 QB LEU 12 QB LEU 12 -9.419 4.550 -0.122 119 QD LEU 12 QD LEU 12 -11.212 3.115 -1.366 120 H ASP 13 H ASP 13 -5.851 3.775 1.072 121 HA ASP 13 HA ASP 13 -4.999 6.273 0.361 122 1HB ASP 13 1HB ASP 13 -3.858 4.148 1.696 123 2HB ASP 13 2HB ASP 13 -2.752 4.382 0.342 124 QB ASP 13 QB ASP 13 -3.305 4.265 1.019 125 H ASN 14 H ASN 14 -3.616 3.416 -1.344 126 HA ASN 14 HA ASN 14 -3.670 5.089 -3.818 127 1HB ASN 14 1HB ASN 14 -1.335 3.988 -2.406 128 2HB ASN 14 2HB ASN 14 -1.367 3.629 -4.133 129 2HD2 ASN 14 1HD2 ASN 14 0.444 5.178 -4.447 130 1HD2 ASN 14 2HD2 ASN 14 0.150 6.849 -4.426 131 QB ASN 14 QB ASN 14 -1.351 3.808 -3.269 132 QD ASN 14 QD ASN 14 0.297 6.014 -4.436 133 H MET 15 H MET 15 -4.930 2.408 -2.554 134 HA MET 15 HA MET 15 -4.260 0.421 -4.541 135 1HB MET 15 1HB MET 15 -6.607 0.623 -2.638 136 2HB MET 15 2HB MET 15 -6.230 -0.799 -3.611 137 1HG MET 15 1HG MET 15 -3.904 -0.723 -2.521 138 2HG MET 15 2HG MET 15 -4.606 0.410 -1.368 139 1HE MET 15 1HE MET 15 -3.167 -2.204 -1.084 140 2HE MET 15 2HE MET 15 -4.063 -3.465 -0.225 141 3HE MET 15 3HE MET 15 -4.030 -3.446 -1.987 142 QB MET 15 QB MET 15 -6.419 -0.088 -3.125 143 QG MET 15 QG MET 15 -4.255 -0.157 -1.944 144 ME MET 15 ME MET 15 -3.753 -3.038 -1.099 145 H ARG 16 H ARG 16 -6.148 3.199 -4.625 146 HA ARG 16 HA ARG 16 -7.912 3.915 -6.033 147 1HB ARG 16 1HB ARG 16 -5.685 3.788 -7.392 148 2HB ARG 16 2HB ARG 16 -6.439 2.398 -8.175 149 1HG ARG 16 1HG ARG 16 -8.262 3.707 -8.977 150 2HG ARG 16 2HG ARG 16 -7.844 5.063 -7.928 151 1HD ARG 16 1HD ARG 16 -6.035 5.703 -9.250 152 2HD ARG 16 2HD ARG 16 -5.837 4.091 -9.937 153 HE ARG 16 HE ARG 16 -7.304 6.121 -11.186 154 1HH1 ARG 16 1HH1 ARG 16 -7.123 2.774 -10.903 155 2HH1 ARG 16 2HH1 ARG 16 -8.645 2.453 -11.665 156 1HH2 ARG 16 1HH2 ARG 16 -9.584 5.791 -11.792 157 2HH2 ARG 16 2HH2 ARG 16 -10.040 4.164 -12.171 158 QB ARG 16 QB ARG 16 -6.062 3.093 -7.783 159 QG ARG 16 QG ARG 16 -8.053 4.385 -8.452 160 QD ARG 16 QD ARG 16 -5.936 4.897 -9.594 161 QH1 ARG 16 QH1 ARG 16 -7.884 2.614 -11.284 162 QH2 ARG 16 QH2 ARG 16 -9.812 4.977 -11.981 163 H VAL 17 H VAL 17 -8.994 1.872 -4.728 164 HA VAL 17 HA VAL 17 -10.712 0.276 -4.912 165 HB VAL 17 HB VAL 17 -10.577 0.735 -7.901 166 1HG1 VAL 17 1HG1 VAL 17 -12.041 -1.053 -6.486 167 2HG1 VAL 17 2HG1 VAL 17 -13.118 0.343 -6.413 168 3HG1 VAL 17 3HG1 VAL 17 -12.616 -0.303 -7.976 169 1HG2 VAL 17 1HG2 VAL 17 -11.123 2.651 -5.842 170 2HG2 VAL 17 2HG2 VAL 17 -11.251 2.862 -7.587 171 3HG2 VAL 17 3HG2 VAL 17 -12.638 2.281 -6.666 172 MG1 VAL 17 MG1 VAL 17 -12.592 -0.338 -6.958 173 MG2 VAL 17 MG2 VAL 17 -11.671 2.598 -6.698 174 QG VAL 17 QG VAL 17 -12.131 1.130 -6.828 175 H GLY 18 H GLY 18 -7.893 -0.451 -4.999 176 1HA GLY 18 1HA GLY 18 -7.327 -2.381 -7.018 177 2HA GLY 18 2HA GLY 18 -6.570 -2.337 -5.426 178 QA GLY 18 QA GLY 18 -6.949 -2.359 -6.222 179 1HB PRO 19 1HB PRO 19 -9.261 -5.363 -1.565 180 2HB PRO 19 2HB PRO 19 -7.699 -5.841 -2.254 181 1HG PRO 19 2HG PRO 19 -6.957 -3.832 -1.387 182 2HG PRO 19 1HG PRO 19 -8.593 -3.158 -1.305 183 1HD PRO 19 1HD PRO 19 -8.077 -1.990 -3.217 184 2HD PRO 19 2HD PRO 19 -6.593 -2.936 -3.468 185 QB PRO 19 QB PRO 19 -8.480 -5.602 -1.910 186 QG PRO 19 QG PRO 19 -7.775 -3.495 -1.346 187 QD PRO 19 QD PRO 19 -7.335 -2.463 -3.342 188 H ARG 20 H ARG 20 -11.003 -6.548 -4.164 189 HA ARG 20 HA ARG 20 -13.067 -4.490 -3.490 190 1HB ARG 20 1HB ARG 20 -12.768 -5.187 -5.991 191 2HB ARG 20 2HB ARG 20 -13.555 -6.686 -5.496 192 1HG ARG 20 1HG ARG 20 -14.772 -4.048 -4.730 193 2HG ARG 20 2HG ARG 20 -15.025 -4.686 -6.355 194 1HD ARG 20 1HD ARG 20 -15.484 -6.894 -4.753 195 2HD ARG 20 2HD ARG 20 -16.169 -5.575 -3.805 196 HE ARG 20 HE ARG 20 -17.055 -6.368 -6.534 197 1HH1 ARG 20 1HH1 ARG 20 -17.950 -3.928 -6.969 198 2HH1 ARG 20 2HH1 ARG 20 -19.268 -3.594 -5.897 199 1HH2 ARG 20 1HH2 ARG 20 -18.503 -6.180 -3.720 200 2HH2 ARG 20 2HH2 ARG 20 -19.581 -4.868 -4.059 201 QB ARG 20 QB ARG 20 -13.161 -5.937 -5.744 202 QG ARG 20 QG ARG 20 -14.899 -4.367 -5.543 203 QD ARG 20 QD ARG 20 -15.827 -6.234 -4.279 204 QH1 ARG 20 QH1 ARG 20 -18.609 -3.761 -6.433 205 QH2 ARG 20 QH2 ARG 20 -19.042 -5.524 -3.890 206 H THR 21 H THR 21 -12.679 -8.012 -3.987 207 HA THR 21 HA THR 21 -13.335 -8.796 -1.354 208 HB THR 21 HB THR 21 -15.542 -7.721 -1.909 209 HG1 THR 21 HG1 THR 21 -15.884 -9.214 -0.446 210 1HG2 THR 21 1HG2 THR 21 -15.180 -8.877 -4.371 211 2HG2 THR 21 2HG2 THR 21 -16.340 -9.975 -3.624 212 3HG2 THR 21 3HG2 THR 21 -16.719 -8.259 -3.771 213 MG THR 21 MG THR 21 -16.080 -9.037 -3.922 214 H TYR 22 H TYR 22 -11.714 -9.554 -3.669 215 HA TYR 22 HA TYR 22 -12.807 -12.194 -4.453 216 1HB TYR 22 1HB TYR 22 -11.007 -12.248 -6.077 217 2HB TYR 22 2HB TYR 22 -11.776 -10.661 -6.153 218 HD1 TYR 22 HD1 TYR 22 -8.873 -12.517 -4.737 219 HD2 TYR 22 HD2 TYR 22 -10.566 -8.677 -5.652 220 HE1 TYR 22 HE1 TYR 22 -6.704 -11.435 -4.210 221 HE2 TYR 22 HE2 TYR 22 -8.398 -7.595 -5.125 222 HH TYR 22 HH TYR 22 -5.967 -9.079 -3.440 223 QB TYR 22 QB TYR 22 -11.392 -11.455 -6.115 224 QD TYR 22 QD TYR 22 -9.719 -10.597 -5.194 225 QE TYR 22 QE TYR 22 -7.551 -9.515 -4.667 226 QR TYR 22 QR TYR 22 -8.635 -10.056 -4.931 227 H ALA 23 H ALA 23 -10.501 -10.850 -2.214 228 HA ALA 23 HA ALA 23 -8.653 -12.950 -1.997 229 1HB ALA 23 2HB ALA 23 -9.791 -11.560 0.421 230 2HB ALA 23 1HB ALA 23 -8.727 -10.716 -0.704 231 3HB ALA 23 3HB ALA 23 -8.143 -12.132 0.170 232 MB ALA 23 MB ALA 23 -8.887 -11.469 -0.038 233 H ASP 24 H ASP 24 -11.929 -12.712 -0.955 234 HA ASP 24 HA ASP 24 -11.864 -15.136 0.688 235 1HB ASP 24 1HB ASP 24 -13.734 -12.985 0.146 236 2HB ASP 24 2HB ASP 24 -14.536 -14.554 0.055 237 QB ASP 24 QB ASP 24 -14.135 -13.769 0.100 238 H VAL 25 H VAL 25 -14.030 -14.422 -2.058 239 HA VAL 25 HA VAL 25 -14.820 -16.935 -2.780 240 HB VAL 25 HB VAL 25 -13.946 -14.665 -4.581 241 1HG1 VAL 25 1HG1 VAL 25 -14.904 -17.411 -5.235 242 2HG1 VAL 25 2HG1 VAL 25 -15.593 -16.077 -6.160 243 3HG1 VAL 25 3HG1 VAL 25 -13.849 -16.339 -6.158 244 1HG2 VAL 25 1HG2 VAL 25 -16.579 -15.696 -3.506 245 2HG2 VAL 25 2HG2 VAL 25 -15.871 -14.094 -3.291 246 3HG2 VAL 25 3HG2 VAL 25 -16.492 -14.579 -4.869 247 MG1 VAL 25 MG1 VAL 25 -14.782 -16.609 -5.851 248 MG2 VAL 25 MG2 VAL 25 -16.314 -14.789 -3.889 249 QG VAL 25 QG VAL 25 -15.548 -15.699 -4.870 250 H ARG 26 H ARG 26 -11.728 -15.477 -3.763 251 HA ARG 26 HA ARG 26 -10.765 -17.833 -5.154 252 1HB ARG 26 2HB ARG 26 -8.676 -16.657 -5.266 253 2HB ARG 26 1HB ARG 26 -9.072 -15.664 -3.862 254 1HG ARG 26 1HG ARG 26 -11.183 -15.253 -5.670 255 2HG ARG 26 2HG ARG 26 -9.878 -14.124 -5.302 256 1HD ARG 26 1HD ARG 26 -8.916 -14.452 -7.315 257 2HD ARG 26 2HD ARG 26 -8.996 -16.204 -7.137 258 HE ARG 26 HE ARG 26 -11.341 -14.599 -8.074 259 1HH1 ARG 26 1HH1 ARG 26 -10.755 -17.715 -7.385 260 2HH1 ARG 26 2HH1 ARG 26 -10.934 -18.345 -8.988 261 1HH2 ARG 26 1HH2 ARG 26 -10.915 -15.226 -10.501 262 2HH2 ARG 26 2HH2 ARG 26 -11.028 -16.936 -10.752 263 QB ARG 26 QB ARG 26 -8.874 -16.160 -4.564 264 QG ARG 26 QG ARG 26 -10.531 -14.689 -5.486 265 QD ARG 26 QD ARG 26 -8.956 -15.328 -7.226 266 QH1 ARG 26 QH1 ARG 26 -10.845 -18.030 -8.187 267 QH2 ARG 26 QH2 ARG 26 -10.971 -16.081 -10.627 268 H ASP 27 H ASP 27 -10.020 -16.614 -1.788 269 HA ASP 27 HA ASP 27 -8.277 -18.661 -0.950 270 1HB ASP 27 1HB ASP 27 -9.591 -16.779 0.448 271 2HB ASP 27 2HB ASP 27 -10.675 -18.126 0.800 272 QB ASP 27 QB ASP 27 -10.133 -17.453 0.624 273 H GLU 28 H GLU 28 -11.611 -18.927 -1.897 274 HA GLU 28 HA GLU 28 -12.017 -21.578 -1.042 275 1HB GLU 28 1HB GLU 28 -13.783 -19.917 -2.014 276 2HB GLU 28 2HB GLU 28 -13.166 -20.440 -3.582 277 1HG GLU 28 2HG GLU 28 -13.522 -22.854 -2.524 278 2HG GLU 28 1HG GLU 28 -14.856 -21.994 -3.290 279 QB GLU 28 QB GLU 28 -13.475 -20.179 -2.798 280 QG GLU 28 QG GLU 28 -14.189 -22.424 -2.907 281 H ILE 29 H ILE 29 -10.084 -22.514 -1.429 282 HA ILE 29 HA ILE 29 -8.762 -24.036 -2.799 283 HB ILE 29 HB ILE 29 -9.531 -22.158 -5.080 284 1HG1 ILE 29 1HG1 ILE 29 -11.552 -23.321 -4.455 285 2HG1 ILE 29 2HG1 ILE 29 -10.895 -24.218 -5.822 286 1HG2 ILE 29 1HG2 ILE 29 -7.861 -24.643 -4.790 287 2HG2 ILE 29 2HG2 ILE 29 -8.758 -24.412 -6.290 288 3HG2 ILE 29 3HG2 ILE 29 -7.576 -23.210 -5.777 289 1HD1 ILE 29 1HD1 ILE 29 -9.758 -25.740 -4.149 290 2HD1 ILE 29 2HD1 ILE 29 -10.685 -24.928 -2.887 291 3HD1 ILE 29 3HD1 ILE 29 -11.518 -25.833 -4.151 292 MG ILE 29 MG ILE 29 -8.065 -24.088 -5.619 293 MD ILE 29 MD ILE 29 -10.654 -25.501 -3.729 294 QG ILE 29 QG ILE 29 -11.224 -23.770 -5.139 295 H ASN 30 H ASN 30 -7.568 -22.437 -1.130 296 HA ASN 30 HA ASN 30 -6.248 -20.496 -0.766 297 1HB ASN 30 1HB ASN 30 -4.008 -21.035 -1.912 298 2HB ASN 30 2HB ASN 30 -4.643 -22.124 -0.680 299 2HD2 ASN 30 1HD2 ASN 30 -3.612 -21.942 -3.972 300 1HD2 ASN 30 2HD2 ASN 30 -4.116 -23.491 -4.449 301 QB ASN 30 QB ASN 30 -4.325 -21.579 -1.296 302 QD ASN 30 QD ASN 30 -3.864 -22.716 -4.210 303 H LYS 31 H LYS 31 -8.044 -19.671 -2.573 304 HA LYS 31 HA LYS 31 -8.059 -17.629 -3.831 305 1HB LYS 31 1HB LYS 31 -5.213 -18.304 -4.425 306 2HB LYS 31 2HB LYS 31 -6.090 -17.188 -5.445 307 1HG LYS 31 2HG LYS 31 -6.804 -16.185 -3.065 308 2HG LYS 31 1HG LYS 31 -5.344 -15.671 -3.908 309 1HD LYS 31 1HD LYS 31 -5.360 -17.961 -1.931 310 2HD LYS 31 2HD LYS 31 -3.964 -17.102 -2.581 311 1HE LYS 31 1HE LYS 31 -4.176 -15.396 -1.100 312 2HE LYS 31 2HE LYS 31 -5.932 -15.358 -1.260 313 1HZ LYS 31 1HZ LYS 31 -4.390 -17.355 0.307 314 2HZ LYS 31 2HZ LYS 31 -5.246 -16.040 0.959 315 3HZ LYS 31 3HZ LYS 31 -6.079 -17.291 0.168 316 QB LYS 31 QB LYS 31 -5.652 -17.746 -4.935 317 QD LYS 31 QD LYS 31 -4.662 -17.531 -2.256 318 QG LYS 31 QG LYS 31 -6.074 -15.928 -3.487 319 QE LYS 31 QE LYS 31 -5.054 -15.377 -1.180 320 QZ LYS 31 QZ LYS 31 -5.238 -16.895 0.478 321 H ARG 32 H ARG 32 -9.078 -20.363 -4.657 322 HA ARG 32 HA ARG 32 -9.229 -19.663 -7.530 323 1HB ARG 32 1HB ARG 32 -7.400 -21.596 -6.719 324 2HB ARG 32 2HB ARG 32 -8.798 -22.533 -7.251 325 1HG ARG 32 1HG ARG 32 -8.833 -21.304 -9.379 326 2HG ARG 32 2HG ARG 32 -7.453 -20.340 -8.855 327 1HD ARG 32 1HD ARG 32 -6.645 -22.990 -8.459 328 2HD ARG 32 2HD ARG 32 -7.497 -23.010 -10.003 329 HE ARG 32 HE ARG 32 -5.629 -20.791 -9.801 330 1HH1 ARG 32 1HH1 ARG 32 -6.124 -24.111 -10.609 331 2HH1 ARG 32 2HH1 ARG 32 -4.699 -24.220 -11.583 332 1HH2 ARG 32 1HH2 ARG 32 -3.724 -20.946 -11.007 333 2HH2 ARG 32 2HH2 ARG 32 -3.341 -22.433 -11.806 334 QB ARG 32 QB ARG 32 -8.099 -22.064 -6.985 335 QG ARG 32 QG ARG 32 -8.143 -20.822 -9.117 336 QD ARG 32 QD ARG 32 -7.071 -23.000 -9.231 337 QH1 ARG 32 QH1 ARG 32 -5.412 -24.166 -11.096 338 QH2 ARG 32 QH2 ARG 32 -3.532 -21.689 -11.407 339 H GLY 33 H GLY 33 -11.422 -19.206 -6.445 340 1HA GLY 33 1HA GLY 33 -13.039 -21.599 -5.874 341 2HA GLY 33 2HA GLY 33 -13.607 -19.928 -5.823 342 QA GLY 33 QA GLY 33 -13.323 -20.764 -5.849 343 H ARG 34 H ARG 34 -13.522 -22.782 -7.698 344 HA ARG 34 HA ARG 34 -13.745 -21.679 -10.322 345 1HB ARG 34 2HB ARG 34 -13.537 -24.199 -9.395 346 2HB ARG 34 1HB ARG 34 -14.140 -23.835 -11.010 347 1HG ARG 34 1HG ARG 34 -16.469 -23.873 -10.117 348 2HG ARG 34 2HG ARG 34 -15.645 -25.419 -9.913 349 1HD ARG 34 1HD ARG 34 -15.240 -23.577 -7.661 350 2HD ARG 34 2HD ARG 34 -16.926 -24.031 -7.903 351 HE ARG 34 HE ARG 34 -14.740 -26.047 -7.561 352 1HH1 ARG 34 1HH1 ARG 34 -17.475 -24.604 -6.212 353 2HH1 ARG 34 2HH1 ARG 34 -18.227 -26.087 -5.728 354 1HH2 ARG 34 1HH2 ARG 34 -15.905 -28.097 -7.337 355 2HH2 ARG 34 2HH2 ARG 34 -17.338 -28.063 -6.364 356 QB ARG 34 QB ARG 34 -13.838 -24.017 -10.203 357 QG ARG 34 QG ARG 34 -16.057 -24.646 -10.015 358 QD ARG 34 QD ARG 34 -16.083 -23.804 -7.782 359 QH1 ARG 34 QH1 ARG 34 -17.851 -25.345 -5.970 360 QH2 ARG 34 QH2 ARG 34 -16.622 -28.080 -6.851 No H/Q in entry = 360 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -9.852 -0.081 14.918 2 H2 MET 1 H2 MET 1 -10.662 -1.068 13.801 3 H3 MET 1 H3 MET 1 -9.309 -0.164 13.310 4 HA MET 1 HA MET 1 -11.253 0.934 12.506 5 1HB MET 1 1HB MET 1 -12.677 -0.172 14.360 6 2HB MET 1 2HB MET 1 -12.187 1.192 15.365 7 1HG MET 1 2HG MET 1 -12.938 2.492 13.093 8 2HG MET 1 1HG MET 1 -14.018 2.201 14.456 9 1HE MET 1 1HE MET 1 -15.780 1.019 14.620 10 2HE MET 1 2HE MET 1 -16.507 1.821 13.229 11 3HE MET 1 3HE MET 1 -16.645 0.067 13.416 12 QB MET 1 QB MET 1 -12.432 0.510 14.862 13 QG MET 1 QG MET 1 -13.478 2.347 13.774 14 ME MET 1 ME MET 1 -16.311 0.969 13.755 15 H SER 2 H SER 2 -10.390 2.885 12.012 16 HA SER 2 HA SER 2 -9.051 4.425 14.195 17 1HB SER 2 1HB SER 2 -8.693 4.570 11.187 18 2HB SER 2 2HB SER 2 -7.852 5.588 12.352 19 HG SER 2 HG SER 2 -6.554 3.990 12.751 20 QB SER 2 QB SER 2 -8.272 5.079 11.770 21 H TRP 3 H TRP 3 -10.466 5.394 11.061 22 HA TRP 3 HA TRP 3 -12.440 7.079 12.491 23 1HB TRP 3 1HB TRP 3 -10.024 8.075 11.160 24 2HB TRP 3 2HB TRP 3 -11.500 8.807 10.532 25 HD1 TRP 3 HD1 TRP 3 -9.148 8.948 13.399 26 HE1 TRP 3 HE1 TRP 3 -10.048 10.541 15.215 27 HE3 TRP 3 HE3 TRP 3 -13.922 9.613 11.707 28 HZ2 TRP 3 HZ2 TRP 3 -12.471 11.913 15.865 29 HZ3 TRP 3 HZ3 TRP 3 -15.502 11.068 12.942 30 HH2 TRP 3 HH2 TRP 3 -14.784 12.218 15.017 31 QB TRP 3 QB TRP 3 -10.762 8.441 10.846 32 H ALA 4 H ALA 4 -13.379 8.518 10.304 33 HA ALA 4 HA ALA 4 -14.458 6.319 8.614 34 1HB ALA 4 3HB ALA 4 -16.297 7.502 9.389 35 2HB ALA 4 2HB ALA 4 -15.981 8.375 7.889 36 3HB ALA 4 1HB ALA 4 -15.423 9.035 9.427 37 MB ALA 4 MB ALA 4 -15.900 8.304 8.902 38 H LEU 5 H LEU 5 -14.131 9.747 7.769 39 HA LEU 5 HA LEU 5 -13.297 9.195 5.096 40 1HB LEU 5 1HB LEU 5 -12.563 11.621 5.109 41 2HB LEU 5 2HB LEU 5 -14.233 11.360 5.611 42 HG LEU 5 HG LEU 5 -12.879 11.121 7.994 43 1HD1 LEU 5 1HD1 LEU 5 -10.777 11.852 6.924 44 2HD1 LEU 5 2HD1 LEU 5 -11.573 13.324 6.368 45 3HD1 LEU 5 3HD1 LEU 5 -11.338 13.046 8.093 46 1HD2 LEU 5 1HD2 LEU 5 -14.944 12.533 7.150 47 2HD2 LEU 5 2HD2 LEU 5 -14.062 13.045 8.589 48 3HD2 LEU 5 3HD2 LEU 5 -13.756 13.832 7.040 49 MD1 LEU 5 MD1 LEU 5 -11.229 12.741 7.128 50 MD2 LEU 5 MD2 LEU 5 -14.254 13.137 7.593 51 QB LEU 5 QB LEU 5 -13.398 11.490 5.360 52 QD LEU 5 QD LEU 5 -12.742 12.939 7.360 53 H GLU 6 H GLU 6 -11.512 9.625 8.095 54 HA GLU 6 HA GLU 6 -8.904 9.992 7.026 55 1HB GLU 6 1HB GLU 6 -9.981 9.755 9.555 56 2HB GLU 6 2HB GLU 6 -9.036 8.273 9.408 57 1HG GLU 6 1HG GLU 6 -7.116 9.735 8.577 58 2HG GLU 6 2HG GLU 6 -8.068 11.122 9.111 59 QB GLU 6 QB GLU 6 -9.508 9.014 9.482 60 QG GLU 6 QG GLU 6 -7.592 10.429 8.844 61 H MET 7 H MET 7 -10.614 6.981 7.914 62 HA MET 7 HA MET 7 -8.506 5.230 7.049 63 1HB MET 7 1HB MET 7 -11.141 4.979 8.151 64 2HB MET 7 2HB MET 7 -11.028 3.939 6.731 65 1HG MET 7 1HG MET 7 -8.897 3.002 7.639 66 2HG MET 7 2HG MET 7 -9.134 3.964 9.098 67 1HE MET 7 1HE MET 7 -9.198 0.994 7.529 68 2HE MET 7 2HE MET 7 -10.318 -0.105 8.328 69 3HE MET 7 3HE MET 7 -10.857 0.866 6.951 70 QB MET 7 QB MET 7 -11.084 4.459 7.441 71 QG MET 7 QG MET 7 -9.015 3.483 8.368 72 ME MET 7 ME MET 7 -10.125 0.585 7.602 73 H ALA 8 H ALA 8 -11.491 6.353 5.444 74 HA ALA 8 HA ALA 8 -11.243 4.931 3.032 75 1HB ALA 8 1HB ALA 8 -13.143 6.480 3.757 76 2HB ALA 8 3HB ALA 8 -12.685 6.567 2.056 77 3HB ALA 8 2HB ALA 8 -12.145 7.815 3.180 78 MB ALA 8 MB ALA 8 -12.658 6.954 2.998 79 H ASP 9 H ASP 9 -9.496 7.782 4.142 80 HA ASP 9 HA ASP 9 -8.366 8.482 1.587 81 1HB ASP 9 1HB ASP 9 -7.224 8.991 4.351 82 2HB ASP 9 2HB ASP 9 -6.817 9.860 2.870 83 QB ASP 9 QB ASP 9 -7.021 9.425 3.610 84 H THR 10 H THR 10 -6.461 7.283 4.359 85 HA THR 10 HA THR 10 -4.256 6.355 2.972 86 HB THR 10 HB THR 10 -4.236 6.233 5.365 87 HG1 THR 10 HG1 THR 10 -4.386 3.548 4.487 88 1HG2 THR 10 1HG2 THR 10 -6.755 5.798 5.468 89 2HG2 THR 10 2HG2 THR 10 -6.364 4.092 5.254 90 3HG2 THR 10 3HG2 THR 10 -5.772 4.962 6.668 91 MG THR 10 MG THR 10 -6.297 4.950 5.797 92 H PHE 11 H PHE 11 -7.447 4.933 3.054 93 HA PHE 11 HA PHE 11 -6.684 2.341 2.027 94 1HB PHE 11 1HB PHE 11 -9.020 3.476 2.997 95 2HB PHE 11 2HB PHE 11 -9.363 3.260 1.280 96 HD1 PHE 11 HD1 PHE 11 -8.171 1.491 4.339 97 HD2 PHE 11 HD2 PHE 11 -9.761 1.106 0.367 98 HE1 PHE 11 HE1 PHE 11 -8.507 -0.938 4.709 99 HE2 PHE 11 HE2 PHE 11 -10.097 -1.324 0.737 100 HZ PHE 11 HZ PHE 11 -9.470 -2.345 2.909 101 QB PHE 11 QB PHE 11 -9.191 3.368 2.139 102 QD PHE 11 QD PHE 11 -8.966 1.299 2.353 103 QE PHE 11 QE PHE 11 -9.302 -1.131 2.723 104 QR PHE 11 QR PHE 11 -9.201 -0.402 2.612 105 H LEU 12 H LEU 12 -8.094 5.237 0.462 106 HA LEU 12 HA LEU 12 -7.939 4.163 -2.196 107 1HB LEU 12 1HB LEU 12 -8.807 6.587 -0.970 108 2HB LEU 12 2HB LEU 12 -7.666 7.016 -2.246 109 HG LEU 12 HG LEU 12 -8.930 5.624 -3.847 110 1HD1 LEU 12 1HD1 LEU 12 -9.834 4.244 -1.729 111 2HD1 LEU 12 2HD1 LEU 12 -11.193 5.351 -1.924 112 3HD1 LEU 12 3HD1 LEU 12 -10.716 4.297 -3.255 113 1HD2 LEU 12 1HD2 LEU 12 -9.561 8.105 -3.050 114 2HD2 LEU 12 2HD2 LEU 12 -10.527 7.242 -4.247 115 3HD2 LEU 12 3HD2 LEU 12 -11.049 7.292 -2.563 116 MD1 LEU 12 MD1 LEU 12 -10.581 4.631 -2.303 117 MD2 LEU 12 MD2 LEU 12 -10.379 7.546 -3.287 118 QB LEU 12 QB LEU 12 -8.236 6.802 -1.608 119 QD LEU 12 QD LEU 12 -10.480 6.089 -2.795 120 H ASP 13 H ASP 13 -5.544 5.320 -0.049 121 HA ASP 13 HA ASP 13 -3.660 6.406 -1.920 122 1HB ASP 13 1HB ASP 13 -3.721 6.059 0.818 123 2HB ASP 13 2HB ASP 13 -2.503 4.884 0.322 124 QB ASP 13 QB ASP 13 -3.112 5.472 0.570 125 H ASN 14 H ASN 14 -3.932 3.153 -0.495 126 HA ASN 14 HA ASN 14 -2.451 2.104 -2.872 127 1HB ASN 14 1HB ASN 14 -2.580 0.837 -0.124 128 2HB ASN 14 2HB ASN 14 -1.535 0.372 -1.468 129 2HD2 ASN 14 1HD2 ASN 14 -1.068 1.633 1.396 130 1HD2 ASN 14 2HD2 ASN 14 0.036 2.880 1.072 131 QB ASN 14 QB ASN 14 -2.057 0.605 -0.796 132 QD ASN 14 QD ASN 14 -0.516 2.256 1.234 133 H MET 15 H MET 15 -5.001 1.337 -0.473 134 HA MET 15 HA MET 15 -6.988 0.125 -0.767 135 1HB MET 15 1HB MET 15 -6.564 1.315 -3.209 136 2HB MET 15 2HB MET 15 -6.666 -0.393 -3.633 137 1HG MET 15 1HG MET 15 -8.906 -0.305 -3.393 138 2HG MET 15 2HG MET 15 -8.691 0.124 -1.698 139 1HE MET 15 1HE MET 15 -7.589 1.432 -4.855 140 2HE MET 15 2HE MET 15 -8.898 2.481 -5.414 141 3HE MET 15 3HE MET 15 -7.524 3.166 -4.551 142 QB MET 15 QB MET 15 -6.615 0.461 -3.421 143 QG MET 15 QG MET 15 -8.799 -0.091 -2.545 144 ME MET 15 ME MET 15 -8.004 2.360 -4.940 145 H ARG 16 H ARG 16 -3.992 -1.018 -1.000 146 HA ARG 16 HA ARG 16 -3.021 -3.161 -1.326 147 1HB ARG 16 1HB ARG 16 -4.702 -3.015 0.862 148 2HB ARG 16 2HB ARG 16 -5.263 -4.473 0.041 149 1HG ARG 16 1HG ARG 16 -2.386 -3.881 0.801 150 2HG ARG 16 2HG ARG 16 -3.458 -5.000 1.643 151 1HD ARG 16 1HD ARG 16 -3.692 -6.319 -0.450 152 2HD ARG 16 2HD ARG 16 -2.561 -5.226 -1.247 153 HE ARG 16 HE ARG 16 -1.461 -6.379 1.188 154 1HH1 ARG 16 1HH1 ARG 16 -2.581 -8.416 -0.979 155 2HH1 ARG 16 2HH1 ARG 16 -1.083 -8.853 -1.732 156 1HH2 ARG 16 1HH2 ARG 16 0.707 -6.256 -0.292 157 2HH2 ARG 16 2HH2 ARG 16 0.778 -7.631 -1.341 158 QB ARG 16 QB ARG 16 -4.983 -3.744 0.452 159 QG ARG 16 QG ARG 16 -2.922 -4.441 1.222 160 QD ARG 16 QD ARG 16 -3.127 -5.773 -0.848 161 QH1 ARG 16 QH1 ARG 16 -1.832 -8.634 -1.356 162 QH2 ARG 16 QH2 ARG 16 0.742 -6.944 -0.816 163 H VAL 17 H VAL 17 -4.868 -2.389 -3.484 164 HA VAL 17 HA VAL 17 -4.915 -4.552 -5.122 165 HB VAL 17 HB VAL 17 -6.120 -5.983 -3.652 166 1HG1 VAL 17 1HG1 VAL 17 -7.993 -3.630 -3.293 167 2HG1 VAL 17 2HG1 VAL 17 -8.380 -5.262 -2.755 168 3HG1 VAL 17 3HG1 VAL 17 -7.004 -4.411 -2.060 169 1HG2 VAL 17 1HG2 VAL 17 -6.968 -5.593 -6.132 170 2HG2 VAL 17 2HG2 VAL 17 -7.859 -6.645 -5.033 171 3HG2 VAL 17 3HG2 VAL 17 -8.407 -4.991 -5.311 172 MG1 VAL 17 MG1 VAL 17 -7.792 -4.434 -2.703 173 MG2 VAL 17 MG2 VAL 17 -7.745 -5.743 -5.492 174 QG VAL 17 QG VAL 17 -7.768 -5.089 -4.098 175 H GLY 18 H GLY 18 -7.187 -2.113 -3.921 176 1HA GLY 18 1HA GLY 18 -8.319 -0.427 -5.123 177 2HA GLY 18 2HA GLY 18 -7.189 -0.723 -6.444 178 QA GLY 18 QA GLY 18 -7.754 -0.575 -5.783 179 1HB PRO 19 1HB PRO 19 -11.423 -0.811 -10.079 180 2HB PRO 19 2HB PRO 19 -12.045 -0.255 -8.516 181 1HG PRO 19 2HG PRO 19 -10.531 1.473 -8.768 182 2HG PRO 19 1HG PRO 19 -9.567 0.574 -9.951 183 1HD PRO 19 1HD PRO 19 -8.083 0.136 -8.253 184 2HD PRO 19 2HD PRO 19 -9.206 0.776 -7.033 185 QB PRO 19 QB PRO 19 -11.734 -0.533 -9.297 186 QG PRO 19 QG PRO 19 -10.049 1.023 -9.359 187 QD PRO 19 QD PRO 19 -8.645 0.456 -7.643 188 H ARG 20 H ARG 20 -11.744 -3.112 -10.235 189 HA ARG 20 HA ARG 20 -9.447 -4.821 -10.907 190 1HB ARG 20 1HB ARG 20 -12.260 -5.029 -11.147 191 2HB ARG 20 2HB ARG 20 -11.624 -5.011 -12.793 192 1HG ARG 20 1HG ARG 20 -10.002 -6.667 -11.024 193 2HG ARG 20 2HG ARG 20 -11.679 -7.212 -11.081 194 1HD ARG 20 1HD ARG 20 -11.605 -7.287 -13.526 195 2HD ARG 20 2HD ARG 20 -9.958 -6.658 -13.515 196 HE ARG 20 HE ARG 20 -10.332 -9.148 -12.002 197 1HH1 ARG 20 1HH1 ARG 20 -7.680 -8.743 -12.933 198 2HH1 ARG 20 2HH1 ARG 20 -7.599 -9.582 -14.446 199 1HH2 ARG 20 1HH2 ARG 20 -11.042 -9.749 -14.842 200 2HH2 ARG 20 2HH2 ARG 20 -9.502 -10.151 -15.528 201 QB ARG 20 QB ARG 20 -11.942 -5.020 -11.970 202 QG ARG 20 QG ARG 20 -10.840 -6.939 -11.053 203 QD ARG 20 QD ARG 20 -10.781 -6.972 -13.521 204 QH1 ARG 20 QH1 ARG 20 -7.640 -9.163 -13.690 205 QH2 ARG 20 QH2 ARG 20 -10.272 -9.950 -15.185 206 H THR 21 H THR 21 -11.628 -3.007 -13.081 207 HA THR 21 HA THR 21 -9.188 -2.141 -14.580 208 HB THR 21 HB THR 21 -10.629 -2.094 -16.590 209 HG1 THR 21 HG1 THR 21 -12.569 -3.085 -14.774 210 1HG2 THR 21 1HG2 THR 21 -10.225 -4.544 -14.955 211 2HG2 THR 21 2HG2 THR 21 -11.289 -4.689 -16.354 212 3HG2 THR 21 3HG2 THR 21 -9.622 -4.153 -16.565 213 MG THR 21 MG THR 21 -10.379 -4.462 -15.958 214 H TYR 22 H TYR 22 -11.134 -0.375 -16.189 215 HA TYR 22 HA TYR 22 -12.373 1.505 -14.471 216 1HB TYR 22 1HB TYR 22 -9.588 1.587 -14.201 217 2HB TYR 22 2HB TYR 22 -9.974 2.953 -15.249 218 HD1 TYR 22 HD1 TYR 22 -11.754 4.604 -14.513 219 HD2 TYR 22 HD2 TYR 22 -10.111 1.632 -11.884 220 HE1 TYR 22 HE1 TYR 22 -12.596 5.870 -12.556 221 HE2 TYR 22 HE2 TYR 22 -10.954 2.899 -9.925 222 HH TYR 22 HH TYR 22 -12.471 4.545 -9.318 223 QB TYR 22 QB TYR 22 -9.781 2.270 -14.725 224 QD TYR 22 QD TYR 22 -10.933 3.118 -13.198 225 QE TYR 22 QE TYR 22 -11.775 4.385 -11.241 226 QR TYR 22 QR TYR 22 -11.354 3.751 -12.220 227 H ALA 23 H ALA 23 -10.218 1.480 -17.352 228 HA ALA 23 HA ALA 23 -11.603 3.595 -18.677 229 1HB ALA 23 3HB ALA 23 -9.668 3.303 -19.829 230 2HB ALA 23 2HB ALA 23 -10.589 2.104 -20.737 231 3HB ALA 23 1HB ALA 23 -9.570 1.597 -19.389 232 MB ALA 23 MB ALA 23 -9.942 2.335 -19.985 233 H ASP 24 H ASP 24 -11.831 0.117 -19.056 234 HA ASP 24 HA ASP 24 -14.074 0.253 -20.888 235 1HB ASP 24 1HB ASP 24 -12.529 -1.876 -19.522 236 2HB ASP 24 2HB ASP 24 -14.198 -2.282 -19.917 237 QB ASP 24 QB ASP 24 -13.363 -2.079 -19.720 238 H VAL 25 H VAL 25 -13.867 -0.935 -17.508 239 HA VAL 25 HA VAL 25 -16.580 -1.291 -16.999 240 HB VAL 25 HB VAL 25 -15.970 -0.515 -14.605 241 1HG1 VAL 25 1HG1 VAL 25 -14.394 -2.684 -16.024 242 2HG1 VAL 25 2HG1 VAL 25 -14.549 -2.544 -14.274 243 3HG1 VAL 25 3HG1 VAL 25 -15.974 -2.865 -15.262 244 1HG2 VAL 25 1HG2 VAL 25 -13.707 0.437 -16.098 245 2HG2 VAL 25 2HG2 VAL 25 -14.038 0.617 -14.376 246 3HG2 VAL 25 3HG2 VAL 25 -13.160 -0.794 -14.961 247 MG1 VAL 25 MG1 VAL 25 -14.972 -2.698 -15.187 248 MG2 VAL 25 MG2 VAL 25 -13.635 0.086 -15.145 249 QG VAL 25 QG VAL 25 -14.304 -1.306 -15.166 250 H ARG 26 H ARG 26 -14.764 1.757 -16.946 251 HA ARG 26 HA ARG 26 -16.991 3.343 -16.003 252 1HB ARG 26 1HB ARG 26 -14.704 4.147 -15.732 253 2HB ARG 26 2HB ARG 26 -14.465 4.137 -17.480 254 1HG ARG 26 2HG ARG 26 -16.322 5.793 -17.702 255 2HG ARG 26 1HG ARG 26 -14.964 6.412 -16.761 256 1HD ARG 26 1HD ARG 26 -17.081 6.949 -15.639 257 2HD ARG 26 2HD ARG 26 -17.534 5.244 -15.643 258 HE ARG 26 HE ARG 26 -15.033 5.429 -14.339 259 1HH1 ARG 26 1HH1 ARG 26 -18.231 5.004 -13.667 260 2HH1 ARG 26 2HH1 ARG 26 -18.206 5.710 -12.084 261 1HH2 ARG 26 1HH2 ARG 26 -15.007 7.007 -12.426 262 2HH2 ARG 26 2HH2 ARG 26 -16.381 6.845 -11.383 263 QB ARG 26 QB ARG 26 -14.585 4.142 -16.606 264 QG ARG 26 QG ARG 26 -15.643 6.102 -17.231 265 QD ARG 26 QD ARG 26 -17.308 6.097 -15.641 266 QH1 ARG 26 QH1 ARG 26 -18.218 5.357 -12.875 267 QH2 ARG 26 QH2 ARG 26 -15.694 6.926 -11.904 268 H ASP 27 H ASP 27 -15.599 2.763 -19.245 269 HA ASP 27 HA ASP 27 -17.466 4.447 -20.634 270 1HB ASP 27 1HB ASP 27 -15.400 2.488 -21.331 271 2HB ASP 27 2HB ASP 27 -16.769 2.465 -22.445 272 QB ASP 27 QB ASP 27 -16.084 2.477 -21.888 273 H GLU 28 H GLU 28 -17.825 1.361 -19.168 274 HA GLU 28 HA GLU 28 -19.960 0.400 -20.878 275 1HB GLU 28 2HB GLU 28 -20.365 -1.242 -19.108 276 2HB GLU 28 1HB GLU 28 -19.378 -0.309 -17.981 277 1HG GLU 28 1HG GLU 28 -17.796 -0.722 -20.298 278 2HG GLU 28 2HG GLU 28 -17.569 -1.440 -18.702 279 QB GLU 28 QB GLU 28 -19.872 -0.776 -18.545 280 QG GLU 28 QG GLU 28 -17.682 -1.081 -19.500 281 H ILE 29 H ILE 29 -19.758 2.454 -18.015 282 HA ILE 29 HA ILE 29 -22.647 2.487 -17.641 283 HB ILE 29 HB ILE 29 -20.875 2.990 -15.851 284 1HG1 ILE 29 1HG1 ILE 29 -22.654 5.304 -15.707 285 2HG1 ILE 29 2HG1 ILE 29 -23.510 3.837 -16.180 286 1HG2 ILE 29 1HG2 ILE 29 -20.161 4.953 -17.724 287 2HG2 ILE 29 2HG2 ILE 29 -20.946 5.841 -16.417 288 3HG2 ILE 29 3HG2 ILE 29 -19.558 4.808 -16.073 289 1HD1 ILE 29 1HD1 ILE 29 -22.241 2.704 -14.231 290 2HD1 ILE 29 2HD1 ILE 29 -21.904 4.345 -13.679 291 3HD1 ILE 29 3HD1 ILE 29 -23.571 3.787 -13.819 292 MG ILE 29 MG ILE 29 -20.222 5.201 -16.738 293 MD ILE 29 MD ILE 29 -22.572 3.612 -13.910 294 QG ILE 29 QG ILE 29 -23.082 4.571 -15.944 295 H ASN 30 H ASN 30 -21.339 3.342 -20.277 296 HA ASN 30 HA ASN 30 -22.553 6.033 -20.521 297 1HB ASN 30 1HB ASN 30 -20.422 4.566 -22.060 298 2HB ASN 30 2HB ASN 30 -21.309 5.892 -22.815 299 2HD2 ASN 30 1HD2 ASN 30 -18.633 6.372 -22.473 300 1HD2 ASN 30 2HD2 ASN 30 -18.363 7.436 -21.178 301 QB ASN 30 QB ASN 30 -20.865 5.229 -22.437 302 QD ASN 30 QD ASN 30 -18.498 6.904 -21.826 303 H LYS 31 H LYS 31 -22.155 3.147 -22.626 304 HA LYS 31 HA LYS 31 -24.934 3.653 -23.588 305 1HB LYS 31 1HB LYS 31 -22.554 3.183 -24.985 306 2HB LYS 31 2HB LYS 31 -23.450 1.667 -25.100 307 1HG LYS 31 1HG LYS 31 -25.486 3.252 -25.635 308 2HG LYS 31 2HG LYS 31 -24.220 4.399 -26.075 309 1HD LYS 31 1HD LYS 31 -23.760 3.295 -27.988 310 2HD LYS 31 2HD LYS 31 -23.701 1.740 -27.156 311 1HE LYS 31 1HE LYS 31 -26.386 2.985 -27.524 312 2HE LYS 31 2HE LYS 31 -25.606 2.311 -28.956 313 1HZ LYS 31 1HZ LYS 31 -25.211 0.269 -27.552 314 2HZ LYS 31 2HZ LYS 31 -26.310 0.929 -26.436 315 3HZ LYS 31 3HZ LYS 31 -26.821 0.563 -28.012 316 QB LYS 31 QB LYS 31 -23.002 2.425 -25.042 317 QD LYS 31 QD LYS 31 -23.731 2.517 -27.572 318 QG LYS 31 QG LYS 31 -24.853 3.826 -25.855 319 QE LYS 31 QE LYS 31 -25.996 2.648 -28.240 320 QZ LYS 31 QZ LYS 31 -26.114 0.587 -27.333 321 H ARG 32 H ARG 32 -23.677 1.906 -21.197 322 HA ARG 32 HA ARG 32 -25.076 -0.625 -21.922 323 1HB ARG 32 1HB ARG 32 -22.645 -0.470 -20.911 324 2HB ARG 32 2HB ARG 32 -23.509 -0.269 -19.385 325 1HG ARG 32 1HG ARG 32 -24.597 -2.375 -19.604 326 2HG ARG 32 2HG ARG 32 -24.146 -2.516 -21.303 327 1HD ARG 32 1HD ARG 32 -21.827 -2.830 -20.744 328 2HD ARG 32 2HD ARG 32 -22.123 -2.422 -19.054 329 HE ARG 32 HE ARG 32 -22.718 -4.999 -20.336 330 1HH1 ARG 32 1HH1 ARG 32 -22.038 -3.425 -17.480 331 2HH1 ARG 32 2HH1 ARG 32 -23.084 -4.379 -16.484 332 1HH2 ARG 32 1HH2 ARG 32 -24.595 -5.993 -19.156 333 2HH2 ARG 32 2HH2 ARG 32 -24.532 -5.832 -17.432 334 QB ARG 32 QB ARG 32 -23.077 -0.370 -20.148 335 QG ARG 32 QG ARG 32 -24.372 -2.446 -20.453 336 QD ARG 32 QD ARG 32 -21.975 -2.626 -19.899 337 QH1 ARG 32 QH1 ARG 32 -22.561 -3.902 -16.982 338 QH2 ARG 32 QH2 ARG 32 -24.563 -5.913 -18.294 339 H GLY 33 H GLY 33 -27.150 0.619 -21.635 340 1HA GLY 33 1HA GLY 33 -29.062 1.095 -20.362 341 2HA GLY 33 2HA GLY 33 -28.386 0.006 -19.149 342 QA GLY 33 QA GLY 33 -28.724 0.551 -19.755 343 H ARG 34 H ARG 34 -27.680 0.903 -17.265 344 HA ARG 34 HA ARG 34 -28.171 3.601 -16.598 345 1HB ARG 34 1HB ARG 34 -26.052 1.839 -15.335 346 2HB ARG 34 2HB ARG 34 -26.902 3.189 -14.581 347 1HG ARG 34 1HG ARG 34 -29.003 1.647 -15.404 348 2HG ARG 34 2HG ARG 34 -27.804 0.410 -15.028 349 1HD ARG 34 1HD ARG 34 -27.441 1.589 -12.809 350 2HD ARG 34 2HD ARG 34 -28.852 2.577 -13.191 351 HE ARG 34 HE ARG 34 -30.233 0.576 -13.039 352 1HH1 ARG 34 1HH1 ARG 34 -27.165 -0.650 -13.398 353 2HH1 ARG 34 2HH1 ARG 34 -27.262 -1.793 -12.101 354 1HH2 ARG 34 1HH2 ARG 34 -30.259 -0.551 -10.879 355 2HH2 ARG 34 2HH2 ARG 34 -29.013 -1.738 -10.675 356 QB ARG 34 QB ARG 34 -26.477 2.514 -14.958 357 QG ARG 34 QG ARG 34 -28.403 1.028 -15.216 358 QD ARG 34 QD ARG 34 -28.146 2.083 -13.000 359 QH1 ARG 34 QH1 ARG 34 -27.213 -1.222 -12.750 360 QH2 ARG 34 QH2 ARG 34 -29.636 -1.145 -10.777 No H/Q in entry = 360 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -5.282 10.966 -1.290 2 H2 MET 1 H2 MET 1 -4.086 10.224 -2.240 3 H3 MET 1 H3 MET 1 -3.662 10.970 -0.778 4 HA MET 1 HA MET 1 -3.009 12.502 -2.389 5 1HB MET 1 1HB MET 1 -4.871 11.174 -3.963 6 2HB MET 1 2HB MET 1 -5.571 12.782 -3.781 7 1HG MET 1 1HG MET 1 -3.943 13.764 -5.028 8 2HG MET 1 2HG MET 1 -2.669 12.781 -4.307 9 1HE MET 1 1HE MET 1 -5.785 12.770 -6.184 10 2HE MET 1 2HE MET 1 -4.968 12.997 -7.737 11 3HE MET 1 3HE MET 1 -5.732 11.457 -7.356 12 QB MET 1 QB MET 1 -5.221 11.978 -3.872 13 QG MET 1 QG MET 1 -3.306 13.272 -4.667 14 ME MET 1 ME MET 1 -5.495 12.408 -7.092 15 H SER 2 H SER 2 -5.032 12.314 0.046 16 HA SER 2 HA SER 2 -5.629 15.231 -0.021 17 1HB SER 2 1HB SER 2 -7.810 14.625 -0.344 18 2HB SER 2 2HB SER 2 -7.546 12.986 0.242 19 HG SER 2 HG SER 2 -7.577 15.298 1.890 20 QB SER 2 QB SER 2 -7.678 13.806 -0.051 21 H TRP 3 H TRP 3 -6.372 12.642 2.323 22 HA TRP 3 HA TRP 3 -4.213 13.048 4.091 23 1HB TRP 3 1HB TRP 3 -5.413 15.409 4.064 24 2HB TRP 3 2HB TRP 3 -6.508 14.636 5.196 25 HD1 TRP 3 HD1 TRP 3 -5.321 13.495 7.409 26 HE1 TRP 3 HE1 TRP 3 -3.271 14.309 8.745 27 HE3 TRP 3 HE3 TRP 3 -3.215 16.627 3.969 28 HZ2 TRP 3 HZ2 TRP 3 -1.037 16.059 8.399 29 HZ3 TRP 3 HZ3 TRP 3 -1.129 17.855 4.500 30 HH2 TRP 3 HH2 TRP 3 -0.038 17.575 6.708 31 QB TRP 3 QB TRP 3 -5.960 15.023 4.630 32 H ALA 4 H ALA 4 -7.578 13.287 5.260 33 HA ALA 4 HA ALA 4 -7.224 10.618 6.546 34 1HB ALA 4 1HB ALA 4 -8.106 12.929 7.589 35 2HB ALA 4 2HB ALA 4 -9.644 12.278 7.023 36 3HB ALA 4 3HB ALA 4 -8.659 11.354 8.157 37 MB ALA 4 MB ALA 4 -8.803 12.187 7.590 38 H LEU 5 H LEU 5 -9.786 12.262 4.473 39 HA LEU 5 HA LEU 5 -11.666 11.143 3.478 40 1HB LEU 5 1HB LEU 5 -9.231 9.790 2.621 41 2HB LEU 5 2HB LEU 5 -10.605 8.704 2.666 42 HG LEU 5 HG LEU 5 -11.898 10.312 1.298 43 1HD1 LEU 5 1HD1 LEU 5 -10.585 12.320 2.123 44 2HD1 LEU 5 2HD1 LEU 5 -9.287 11.827 1.035 45 3HD1 LEU 5 3HD1 LEU 5 -10.859 12.283 0.381 46 1HD2 LEU 5 1HD2 LEU 5 -9.232 9.310 0.297 47 2HD2 LEU 5 2HD2 LEU 5 -10.839 8.649 -0.008 48 3HD2 LEU 5 3HD2 LEU 5 -10.343 10.156 -0.778 49 MD1 LEU 5 MD1 LEU 5 -10.244 12.143 1.180 50 MD2 LEU 5 MD2 LEU 5 -10.138 9.372 -0.163 51 QB LEU 5 QB LEU 5 -9.918 9.247 2.644 52 QD LEU 5 QD LEU 5 -10.191 10.757 0.508 53 H GLU 6 H GLU 6 -11.127 11.033 6.168 54 HA GLU 6 HA GLU 6 -11.650 9.994 8.087 55 1HB GLU 6 1HB GLU 6 -13.839 9.703 6.587 56 2HB GLU 6 2HB GLU 6 -13.417 8.000 6.775 57 1HG GLU 6 1HG GLU 6 -13.276 9.577 9.266 58 2HG GLU 6 2HG GLU 6 -14.897 9.423 8.586 59 QB GLU 6 QB GLU 6 -13.628 8.851 6.681 60 QG GLU 6 QG GLU 6 -14.086 9.500 8.926 61 H MET 7 H MET 7 -9.292 9.197 7.309 62 HA MET 7 HA MET 7 -7.742 7.492 7.487 63 1HB MET 7 1HB MET 7 -8.231 6.654 9.501 64 2HB MET 7 2HB MET 7 -9.965 6.751 9.215 65 1HG MET 7 1HG MET 7 -8.326 4.600 7.885 66 2HG MET 7 2HG MET 7 -8.877 4.394 9.547 67 1HE MET 7 1HE MET 7 -9.404 2.411 8.205 68 2HE MET 7 2HE MET 7 -11.053 2.173 8.800 69 3HE MET 7 3HE MET 7 -10.733 2.205 7.068 70 QB MET 7 QB MET 7 -9.098 6.703 9.358 71 QG MET 7 QG MET 7 -8.601 4.497 8.716 72 ME MET 7 ME MET 7 -10.397 2.263 8.024 73 H ALA 8 H ALA 8 -10.593 7.316 5.737 74 HA ALA 8 HA ALA 8 -10.265 4.770 4.389 75 1HB ALA 8 1HB ALA 8 -12.332 6.502 4.406 76 2HB ALA 8 2HB ALA 8 -11.476 7.162 3.014 77 3HB ALA 8 3HB ALA 8 -12.022 5.491 2.997 78 MB ALA 8 MB ALA 8 -11.944 6.385 3.472 79 H ASP 9 H ASP 9 -9.284 8.103 4.094 80 HA ASP 9 HA ASP 9 -8.030 8.410 1.695 81 1HB ASP 9 1HB ASP 9 -7.790 10.127 3.365 82 2HB ASP 9 2HB ASP 9 -7.049 9.008 4.505 83 QB ASP 9 QB ASP 9 -7.420 9.568 3.935 84 H THR 10 H THR 10 -6.498 6.714 4.474 85 HA THR 10 HA THR 10 -4.158 5.868 3.126 86 HB THR 10 HB THR 10 -5.596 4.278 5.264 87 HG1 THR 10 HG1 THR 10 -4.948 5.715 6.677 88 1HG2 THR 10 1HG2 THR 10 -2.700 4.565 4.426 89 2HG2 THR 10 2HG2 THR 10 -3.218 3.742 5.897 90 3HG2 THR 10 3HG2 THR 10 -3.700 3.116 4.320 91 MG THR 10 MG THR 10 -3.206 3.808 4.881 92 H PHE 11 H PHE 11 -7.158 3.975 3.671 93 HA PHE 11 HA PHE 11 -6.455 1.680 2.228 94 1HB PHE 11 1HB PHE 11 -9.005 3.035 2.918 95 2HB PHE 11 2HB PHE 11 -9.082 1.858 1.606 96 HD1 PHE 11 HD1 PHE 11 -7.269 2.114 4.892 97 HD2 PHE 11 HD2 PHE 11 -9.720 -0.263 2.286 98 HE1 PHE 11 HE1 PHE 11 -7.225 0.261 6.540 99 HE2 PHE 11 HE2 PHE 11 -9.675 -2.116 3.932 100 HZ PHE 11 HZ PHE 11 -8.427 -1.854 6.059 101 QB PHE 11 QB PHE 11 -9.043 2.447 2.262 102 QD PHE 11 QD PHE 11 -8.495 0.926 3.589 103 QE PHE 11 QE PHE 11 -8.450 -0.928 5.236 104 QR PHE 11 QR PHE 11 -8.463 -0.372 4.742 105 H LEU 12 H LEU 12 -8.421 4.344 0.876 106 HA LEU 12 HA LEU 12 -8.499 3.611 -1.775 107 1HB LEU 12 1HB LEU 12 -9.602 5.624 -0.983 108 2HB LEU 12 2HB LEU 12 -8.047 6.389 -0.651 109 HG LEU 12 HG LEU 12 -7.481 6.410 -3.001 110 1HD1 LEU 12 1HD1 LEU 12 -10.048 4.831 -3.328 111 2HD1 LEU 12 2HD1 LEU 12 -9.155 5.541 -4.673 112 3HD1 LEU 12 3HD1 LEU 12 -8.411 4.282 -3.688 113 1HD2 LEU 12 1HD2 LEU 12 -9.835 7.685 -1.926 114 2HD2 LEU 12 2HD2 LEU 12 -8.687 8.310 -3.112 115 3HD2 LEU 12 3HD2 LEU 12 -10.074 7.359 -3.643 116 MD1 LEU 12 MD1 LEU 12 -9.204 4.885 -3.896 117 MD2 LEU 12 MD2 LEU 12 -9.532 7.785 -2.894 118 QB LEU 12 QB LEU 12 -8.824 6.006 -0.817 119 QD LEU 12 QD LEU 12 -9.368 6.335 -3.395 120 H ASP 13 H ASP 13 -5.792 5.389 -0.235 121 HA ASP 13 HA ASP 13 -4.235 5.569 -2.637 122 1HB ASP 13 1HB ASP 13 -3.914 6.868 -0.450 123 2HB ASP 13 2HB ASP 13 -3.078 5.436 0.150 124 QB ASP 13 QB ASP 13 -3.496 6.152 -0.150 125 H ASN 14 H ASN 14 -4.442 3.072 -0.136 126 HA ASN 14 HA ASN 14 -2.188 1.570 -1.225 127 1HB ASN 14 1HB ASN 14 -4.066 1.310 1.048 128 2HB ASN 14 2HB ASN 14 -3.491 -0.214 0.367 129 2HD2 ASN 14 1HD2 ASN 14 -0.954 -0.153 -0.077 130 1HD2 ASN 14 2HD2 ASN 14 -0.017 0.533 1.163 131 QB ASN 14 QB ASN 14 -3.779 0.548 0.708 132 QD ASN 14 QD ASN 14 -0.486 0.190 0.543 133 H MET 15 H MET 15 -5.138 2.111 -2.499 134 HA MET 15 HA MET 15 -5.545 -0.707 -3.387 135 1HB MET 15 1HB MET 15 -7.289 1.709 -3.201 136 2HB MET 15 2HB MET 15 -7.626 0.559 -4.496 137 1HG MET 15 1HG MET 15 -7.889 -1.251 -2.935 138 2HG MET 15 2HG MET 15 -7.288 -0.263 -1.603 139 1HE MET 15 1HE MET 15 -8.657 -0.452 -0.107 140 2HE MET 15 2HE MET 15 -10.127 0.492 0.119 141 3HE MET 15 3HE MET 15 -10.224 -1.176 -0.462 142 QB MET 15 QB MET 15 -7.458 1.134 -3.848 143 QG MET 15 QG MET 15 -7.589 -0.757 -2.269 144 ME MET 15 ME MET 15 -9.670 -0.379 -0.150 145 H ARG 16 H ARG 16 -3.325 0.057 -4.530 146 HA ARG 16 HA ARG 16 -3.864 1.466 -7.062 147 1HB ARG 16 1HB ARG 16 -1.616 1.216 -5.433 148 2HB ARG 16 2HB ARG 16 -1.242 0.206 -6.829 149 1HG ARG 16 2HG ARG 16 -2.429 2.529 -7.887 150 2HG ARG 16 1HG ARG 16 -0.724 2.081 -7.961 151 1HD ARG 16 1HD ARG 16 -1.964 3.512 -5.596 152 2HD ARG 16 2HD ARG 16 -0.248 3.266 -5.920 153 HE ARG 16 HE ARG 16 -2.015 5.093 -7.495 154 1HH1 ARG 16 1HH1 ARG 16 0.627 3.894 -8.624 155 2HH1 ARG 16 2HH1 ARG 16 1.699 5.227 -8.353 156 1HH2 ARG 16 1HH2 ARG 16 -0.448 6.856 -6.175 157 2HH2 ARG 16 2HH2 ARG 16 1.094 6.900 -6.964 158 QB ARG 16 QB ARG 16 -1.429 0.711 -6.131 159 QG ARG 16 QG ARG 16 -1.577 2.305 -7.924 160 QD ARG 16 QD ARG 16 -1.106 3.389 -5.758 161 QH1 ARG 16 QH1 ARG 16 1.163 4.561 -8.489 162 QH2 ARG 16 QH2 ARG 16 0.323 6.878 -6.569 163 H VAL 17 H VAL 17 -3.759 -1.721 -5.852 164 HA VAL 17 HA VAL 17 -3.592 -2.813 -8.631 165 HB VAL 17 HB VAL 17 -2.916 -4.918 -7.650 166 1HG1 VAL 17 1HG1 VAL 17 -1.176 -3.155 -7.900 167 2HG1 VAL 17 2HG1 VAL 17 -1.481 -2.648 -6.239 168 3HG1 VAL 17 3HG1 VAL 17 -0.825 -4.252 -6.565 169 1HG2 VAL 17 1HG2 VAL 17 -4.462 -4.608 -5.631 170 2HG2 VAL 17 2HG2 VAL 17 -2.891 -5.336 -5.294 171 3HG2 VAL 17 3HG2 VAL 17 -3.172 -3.636 -4.920 172 MG1 VAL 17 MG1 VAL 17 -1.160 -3.352 -6.901 173 MG2 VAL 17 MG2 VAL 17 -3.508 -4.527 -5.282 174 QG VAL 17 QG VAL 17 -2.334 -3.939 -6.091 175 H GLY 18 H GLY 18 -5.956 -1.674 -6.970 176 1HA GLY 18 1HA GLY 18 -7.691 -3.988 -6.580 177 2HA GLY 18 2HA GLY 18 -8.181 -2.296 -6.478 178 QA GLY 18 QA GLY 18 -7.936 -3.142 -6.529 179 1HB PRO 19 1HB PRO 19 -12.449 -3.179 -9.925 180 2HB PRO 19 2HB PRO 19 -11.790 -4.752 -9.442 181 1HG PRO 19 2HG PRO 19 -12.333 -4.078 -7.300 182 2HG PRO 19 1HG PRO 19 -12.385 -2.367 -7.755 183 1HD PRO 19 1HD PRO 19 -10.307 -2.160 -6.796 184 2HD PRO 19 2HD PRO 19 -10.142 -3.923 -6.640 185 QB PRO 19 QB PRO 19 -12.119 -3.966 -9.683 186 QG PRO 19 QG PRO 19 -12.359 -3.222 -7.527 187 QD PRO 19 QD PRO 19 -10.224 -3.042 -6.718 188 H ARG 20 H ARG 20 -10.586 -0.926 -8.711 189 HA ARG 20 HA ARG 20 -9.716 0.709 -10.910 190 1HB ARG 20 1HB ARG 20 -11.956 -0.200 -11.749 191 2HB ARG 20 2HB ARG 20 -12.709 0.756 -10.471 192 1HG ARG 20 2HG ARG 20 -11.128 2.655 -11.523 193 2HG ARG 20 1HG ARG 20 -12.752 2.338 -12.138 194 1HD ARG 20 1HD ARG 20 -10.116 1.344 -13.247 195 2HD ARG 20 2HD ARG 20 -11.669 0.671 -13.741 196 HE ARG 20 HE ARG 20 -10.790 3.476 -14.246 197 1HH1 ARG 20 1HH1 ARG 20 -13.654 1.826 -14.015 198 2HH1 ARG 20 2HH1 ARG 20 -14.161 2.080 -15.652 199 1HH2 ARG 20 1HH2 ARG 20 -11.110 3.373 -16.673 200 2HH2 ARG 20 2HH2 ARG 20 -12.720 2.956 -17.156 201 QB ARG 20 QB ARG 20 -12.332 0.278 -11.110 202 QG ARG 20 QG ARG 20 -11.940 2.497 -11.831 203 QD ARG 20 QD ARG 20 -10.892 1.008 -13.494 204 QH1 ARG 20 QH1 ARG 20 -13.908 1.953 -14.833 205 QH2 ARG 20 QH2 ARG 20 -11.915 3.164 -16.915 206 H THR 21 H THR 21 -12.012 0.618 -8.171 207 HA THR 21 HA THR 21 -12.450 2.278 -6.542 208 HB THR 21 HB THR 21 -10.708 1.465 -5.280 209 HG1 THR 21 HG1 THR 21 -10.407 3.455 -4.634 210 1HG2 THR 21 1HG2 THR 21 -9.510 0.626 -7.328 211 2HG2 THR 21 2HG2 THR 21 -8.738 2.206 -7.457 212 3HG2 THR 21 3HG2 THR 21 -8.434 1.189 -6.050 213 MG THR 21 MG THR 21 -8.894 1.341 -6.945 214 H TYR 22 H TYR 22 -13.358 3.994 -7.740 215 HA TYR 22 HA TYR 22 -12.120 6.500 -7.636 216 1HB TYR 22 1HB TYR 22 -10.940 4.946 -9.665 217 2HB TYR 22 2HB TYR 22 -11.986 6.099 -10.497 218 HD1 TYR 22 HD1 TYR 22 -11.898 8.572 -9.522 219 HD2 TYR 22 HD2 TYR 22 -8.792 5.641 -9.069 220 HE1 TYR 22 HE1 TYR 22 -10.255 10.381 -9.103 221 HE2 TYR 22 HE2 TYR 22 -7.147 7.452 -8.648 222 HH TYR 22 HH TYR 22 -7.930 10.796 -9.151 223 QB TYR 22 QB TYR 22 -11.463 5.523 -10.081 224 QD TYR 22 QD TYR 22 -10.345 7.106 -9.295 225 QE TYR 22 QE TYR 22 -8.701 8.916 -8.875 226 QR TYR 22 QR TYR 22 -9.523 8.011 -9.085 227 H ALA 23 H ALA 23 -14.184 4.557 -9.845 228 HA ALA 23 HA ALA 23 -15.754 6.657 -10.836 229 1HB ALA 23 3HB ALA 23 -17.088 5.028 -11.707 230 2HB ALA 23 2HB ALA 23 -17.236 4.196 -10.159 231 3HB ALA 23 1HB ALA 23 -15.794 3.966 -11.149 232 MB ALA 23 MB ALA 23 -16.706 4.397 -11.005 233 H ASP 24 H ASP 24 -16.138 4.890 -7.844 234 HA ASP 24 HA ASP 24 -18.583 6.225 -7.066 235 1HB ASP 24 1HB ASP 24 -17.436 3.969 -6.212 236 2HB ASP 24 2HB ASP 24 -16.771 5.064 -4.999 237 QB ASP 24 QB ASP 24 -17.103 4.517 -5.606 238 H VAL 25 H VAL 25 -15.445 6.370 -5.348 239 HA VAL 25 HA VAL 25 -15.865 8.603 -3.799 240 HB VAL 25 HB VAL 25 -13.371 7.790 -5.305 241 1HG1 VAL 25 1HG1 VAL 25 -13.932 10.279 -3.941 242 2HG1 VAL 25 2HG1 VAL 25 -12.679 9.384 -3.082 243 3HG1 VAL 25 3HG1 VAL 25 -12.465 9.785 -4.785 244 1HG2 VAL 25 1HG2 VAL 25 -14.680 7.095 -2.771 245 2HG2 VAL 25 2HG2 VAL 25 -13.430 6.226 -3.663 246 3HG2 VAL 25 3HG2 VAL 25 -12.985 7.539 -2.573 247 MG1 VAL 25 MG1 VAL 25 -13.025 9.816 -3.936 248 MG2 VAL 25 MG2 VAL 25 -13.698 6.954 -3.002 249 QG VAL 25 QG VAL 25 -13.362 8.385 -3.469 250 H ARG 26 H ARG 26 -14.872 8.655 -7.214 251 HA ARG 26 HA ARG 26 -14.763 11.524 -7.410 252 1HB ARG 26 1HB ARG 26 -13.615 10.156 -9.055 253 2HB ARG 26 2HB ARG 26 -15.129 9.383 -9.526 254 1HG ARG 26 1HG ARG 26 -15.985 11.413 -10.455 255 2HG ARG 26 2HG ARG 26 -14.692 12.367 -9.731 256 1HD ARG 26 1HD ARG 26 -13.374 10.402 -11.231 257 2HD ARG 26 2HD ARG 26 -14.710 10.931 -12.254 258 HE ARG 26 HE ARG 26 -13.768 13.153 -12.268 259 1HH1 ARG 26 1HH1 ARG 26 -12.452 11.691 -9.556 260 2HH1 ARG 26 2HH1 ARG 26 -10.844 12.291 -9.789 261 1HH2 ARG 26 1HH2 ARG 26 -11.503 13.582 -12.942 262 2HH2 ARG 26 2HH2 ARG 26 -10.307 13.364 -11.707 263 QB ARG 26 QB ARG 26 -14.372 9.769 -9.291 264 QG ARG 26 QG ARG 26 -15.339 11.890 -10.093 265 QD ARG 26 QD ARG 26 -14.042 10.667 -11.742 266 QH1 ARG 26 QH1 ARG 26 -11.648 11.991 -9.672 267 QH2 ARG 26 QH2 ARG 26 -10.905 13.473 -12.325 268 H ASP 27 H ASP 27 -17.320 9.134 -8.058 269 HA ASP 27 HA ASP 27 -19.199 10.957 -9.203 270 1HB ASP 27 1HB ASP 27 -19.410 8.460 -9.253 271 2HB ASP 27 2HB ASP 27 -19.811 8.498 -7.535 272 QB ASP 27 QB ASP 27 -19.611 8.479 -8.394 273 H GLU 28 H GLU 28 -18.094 10.565 -5.959 274 HA GLU 28 HA GLU 28 -20.419 11.554 -4.591 275 1HB GLU 28 1HB GLU 28 -18.462 10.428 -3.481 276 2HB GLU 28 2HB GLU 28 -17.521 11.892 -3.766 277 1HG GLU 28 1HG GLU 28 -19.393 13.154 -2.556 278 2HG GLU 28 2HG GLU 28 -19.980 11.572 -2.038 279 QB GLU 28 QB GLU 28 -17.991 11.160 -3.623 280 QG GLU 28 QG GLU 28 -19.687 12.363 -2.297 281 H ILE 29 H ILE 29 -17.784 13.103 -6.328 282 HA ILE 29 HA ILE 29 -18.252 15.745 -5.326 283 HB ILE 29 HB ILE 29 -16.183 14.985 -6.534 284 1HG1 ILE 29 1HG1 ILE 29 -16.857 17.264 -8.180 285 2HG1 ILE 29 2HG1 ILE 29 -17.498 17.486 -6.551 286 1HG2 ILE 29 1HG2 ILE 29 -18.023 14.206 -8.468 287 2HG2 ILE 29 2HG2 ILE 29 -17.283 15.649 -9.160 288 3HG2 ILE 29 3HG2 ILE 29 -16.274 14.284 -8.683 289 1HD1 ILE 29 1HD1 ILE 29 -14.772 16.379 -6.615 290 2HD1 ILE 29 2HD1 ILE 29 -14.900 18.004 -7.288 291 3HD1 ILE 29 3HD1 ILE 29 -15.433 17.690 -5.636 292 MG ILE 29 MG ILE 29 -17.193 14.713 -8.770 293 MD ILE 29 MD ILE 29 -15.035 17.358 -6.513 294 QG ILE 29 QG ILE 29 -17.177 17.375 -7.365 295 H ASN 30 H ASN 30 -20.456 13.999 -6.873 296 HA ASN 30 HA ASN 30 -21.442 16.126 -8.657 297 1HB ASN 30 1HB ASN 30 -21.568 13.803 -9.466 298 2HB ASN 30 2HB ASN 30 -22.548 13.366 -8.066 299 2HD2 ASN 30 1HD2 ASN 30 -22.676 16.191 -10.312 300 1HD2 ASN 30 2HD2 ASN 30 -24.312 15.987 -10.707 301 QB ASN 30 QB ASN 30 -22.058 13.584 -8.766 302 QD ASN 30 QD ASN 30 -23.494 16.089 -10.509 303 H LYS 31 H LYS 31 -22.877 14.105 -6.069 304 HA LYS 31 HA LYS 31 -24.974 16.044 -5.564 305 1HB LYS 31 1HB LYS 31 -24.148 13.406 -4.497 306 2HB LYS 31 2HB LYS 31 -24.984 14.455 -3.354 307 1HG LYS 31 1HG LYS 31 -26.470 14.751 -5.676 308 2HG LYS 31 2HG LYS 31 -26.039 13.040 -5.688 309 1HD LYS 31 1HD LYS 31 -27.267 12.574 -3.813 310 2HD LYS 31 2HD LYS 31 -26.930 14.142 -3.079 311 1HE LYS 31 1HE LYS 31 -28.527 15.229 -4.571 312 2HE LYS 31 2HE LYS 31 -28.813 13.706 -5.415 313 1HZ LYS 31 1HZ LYS 31 -29.546 12.782 -3.239 314 2HZ LYS 31 2HZ LYS 31 -29.459 14.349 -2.590 315 3HZ LYS 31 3HZ LYS 31 -30.551 14.006 -3.846 316 QB LYS 31 QB LYS 31 -24.566 13.930 -3.925 317 QD LYS 31 QD LYS 31 -27.099 13.358 -3.446 318 QG LYS 31 QG LYS 31 -26.255 13.896 -5.682 319 QE LYS 31 QE LYS 31 -28.670 14.467 -4.993 320 QZ LYS 31 QZ LYS 31 -29.852 13.712 -3.225 321 H ARG 32 H ARG 32 -21.728 15.551 -4.366 322 HA ARG 32 HA ARG 32 -22.219 17.245 -1.996 323 1HB ARG 32 2HB ARG 32 -20.621 15.238 -2.041 324 2HB ARG 32 1HB ARG 32 -19.995 16.726 -1.334 325 1HG ARG 32 2HG ARG 32 -19.562 16.626 -4.217 326 2HG ARG 32 1HG ARG 32 -18.813 15.259 -3.392 327 1HD ARG 32 1HD ARG 32 -18.317 17.566 -1.807 328 2HD ARG 32 2HD ARG 32 -17.148 16.615 -2.720 329 HE ARG 32 HE ARG 32 -18.246 18.234 -4.649 330 1HH1 ARG 32 1HH1 ARG 32 -18.415 19.662 -1.736 331 2HH1 ARG 32 2HH1 ARG 32 -17.177 20.846 -1.988 332 1HH2 ARG 32 1HH2 ARG 32 -15.991 19.373 -4.896 333 2HH2 ARG 32 2HH2 ARG 32 -15.805 20.684 -3.777 334 QB ARG 32 QB ARG 32 -20.308 15.982 -1.688 335 QG ARG 32 QG ARG 32 -19.187 15.942 -3.805 336 QD ARG 32 QD ARG 32 -17.732 17.090 -2.263 337 QH1 ARG 32 QH1 ARG 32 -17.796 20.254 -1.862 338 QH2 ARG 32 QH2 ARG 32 -15.898 20.028 -4.337 339 H GLY 33 H GLY 33 -22.473 18.282 -4.820 340 1HA GLY 33 1HA GLY 33 -20.620 20.595 -4.465 341 2HA GLY 33 2HA GLY 33 -20.796 19.844 -6.052 342 QA GLY 33 QA GLY 33 -20.708 20.219 -5.259 343 H ARG 34 H ARG 34 -22.398 20.619 -7.352 344 HA ARG 34 HA ARG 34 -24.988 21.392 -6.606 345 1HB ARG 34 1HB ARG 34 -24.732 23.920 -6.701 346 2HB ARG 34 2HB ARG 34 -24.102 23.159 -5.240 347 1HG ARG 34 1HG ARG 34 -21.832 23.114 -6.360 348 2HG ARG 34 2HG ARG 34 -22.522 24.111 -7.640 349 1HD ARG 34 1HD ARG 34 -23.119 25.838 -5.997 350 2HD ARG 34 2HD ARG 34 -22.469 24.839 -4.696 351 HE ARG 34 HE ARG 34 -20.469 25.282 -6.726 352 1HH1 ARG 34 1HH1 ARG 34 -19.404 25.416 -4.142 353 2HH1 ARG 34 2HH1 ARG 34 -19.347 27.099 -3.734 354 1HH2 ARG 34 1HH2 ARG 34 -21.597 28.041 -6.202 355 2HH2 ARG 34 2HH2 ARG 34 -20.589 28.587 -4.905 356 QB ARG 34 QB ARG 34 -24.417 23.539 -5.971 357 QG ARG 34 QG ARG 34 -22.177 23.612 -7.000 358 QD ARG 34 QD ARG 34 -22.794 25.339 -5.347 359 QH1 ARG 34 QH1 ARG 34 -19.375 26.257 -3.938 360 QH2 ARG 34 QH2 ARG 34 -21.093 28.314 -5.553 No H/Q in entry = 360
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