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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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7668 |
1kun ![]() ![]() |
cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 2H GLU 1 -6.989 -15.067 -3.026 2 2H GLU 1 1H GLU 1 -8.402 -15.947 -3.487 3 3H GLU 1 3H GLU 1 -8.104 -14.427 -4.085 4 HA GLU 1 HA GLU 1 -9.201 -13.479 -2.428 5 1HB GLU 1 2HB GLU 1 -9.436 -16.458 -1.555 6 2HB GLU 1 1HB GLU 1 -10.493 -15.215 -0.933 7 1HG GLU 1 2HG GLU 1 -10.681 -16.676 -3.503 8 2HG GLU 1 1HG GLU 1 -11.878 -15.631 -2.791 9 H THR 2 H THR 2 -8.756 -12.592 -0.196 10 HA THR 2 HA THR 2 -7.139 -11.812 1.337 11 HB THR 2 HB THR 2 -6.023 -13.848 2.711 12 HG1 THR 2 HG1 THR 2 -6.382 -15.221 0.791 13 1HG2 THR 2 1HG2 THR 2 -9.031 -14.064 2.219 14 2HG2 THR 2 3HG2 THR 2 -8.149 -14.637 3.616 15 3HG2 THR 2 2HG2 THR 2 -8.345 -12.908 3.360 16 H ASP 3 H ASP 3 -6.546 -11.911 -1.100 17 HA ASP 3 HA ASP 3 -3.612 -12.042 -1.414 18 1HB ASP 3 2HB ASP 3 -4.222 -12.637 -3.850 19 2HB ASP 3 1HB ASP 3 -4.680 -13.846 -2.675 20 H ILE 4 H ILE 4 -3.702 -9.875 -0.632 21 HA ILE 4 HA ILE 4 -4.964 -7.565 -1.401 22 HB ILE 4 HB ILE 4 -3.271 -7.479 0.281 23 1HG1 ILE 4 2HG1 ILE 4 -2.142 -5.808 -1.996 24 2HG1 ILE 4 1HG1 ILE 4 -3.588 -5.376 -1.115 25 1HG2 ILE 4 3HG2 ILE 4 -1.684 -9.244 -0.644 26 2HG2 ILE 4 2HG2 ILE 4 -1.182 -8.123 -1.898 27 3HG2 ILE 4 1HG2 ILE 4 -0.813 -7.801 -0.220 28 1HD1 ILE 4 1HD1 ILE 4 -0.812 -5.772 0.149 29 2HD1 ILE 4 3HD1 ILE 4 -1.591 -4.241 -0.132 30 3HD1 ILE 4 2HD1 ILE 4 -2.265 -5.352 1.036 31 H CYS 5 H CYS 5 -2.825 -9.277 -3.290 32 HA CYS 5 HA CYS 5 -2.049 -7.515 -5.384 33 1HB CYS 5 2HB CYS 5 -2.558 -10.481 -5.385 34 2HB CYS 5 1HB CYS 5 -1.569 -9.648 -6.558 35 H LYS 6 H LYS 6 -5.096 -8.928 -4.823 36 HA LYS 6 HA LYS 6 -6.165 -8.543 -7.518 37 1HB LYS 6 2HB LYS 6 -6.815 -10.605 -6.691 38 2HB LYS 6 1HB LYS 6 -6.617 -10.155 -5.021 39 1HG LYS 6 2HG LYS 6 -8.650 -8.731 -5.218 40 2HG LYS 6 1HG LYS 6 -8.973 -9.491 -6.774 41 1HD LYS 6 2HD LYS 6 -8.684 -10.705 -3.958 42 2HD LYS 6 1HD LYS 6 -10.202 -10.621 -4.777 43 1HE LYS 6 2HE LYS 6 -7.963 -12.239 -6.011 44 2HE LYS 6 1HE LYS 6 -8.837 -12.815 -4.611 45 1HZ LYS 6 3HZ LYS 6 -10.795 -11.825 -6.278 46 2HZ LYS 6 2HZ LYS 6 -9.770 -12.790 -7.275 47 3HZ LYS 6 1HZ LYS 6 -10.463 -13.404 -5.871 48 H LEU 7 H LEU 7 -5.713 -6.565 -4.889 49 HA LEU 7 HA LEU 7 -8.248 -5.217 -5.088 50 1HB LEU 7 2HB LEU 7 -5.827 -4.638 -3.352 51 2HB LEU 7 1HB LEU 7 -7.398 -3.908 -3.122 52 HG LEU 7 HG LEU 7 -6.706 -6.879 -2.803 53 1HD1 LEU 7 2HD1 LEU 7 -5.932 -5.376 -0.984 54 2HD1 LEU 7 1HD1 LEU 7 -7.552 -4.724 -0.819 55 3HD1 LEU 7 3HD1 LEU 7 -7.240 -6.407 -0.425 56 1HD2 LEU 7 1HD2 LEU 7 -9.359 -5.416 -2.346 57 2HD2 LEU 7 3HD2 LEU 7 -9.051 -6.553 -3.647 58 3HD2 LEU 7 2HD2 LEU 7 -9.049 -7.104 -1.989 59 HA PRO 8 HA PRO 8 -6.514 -2.524 -8.081 60 1HB PRO 8 2HB PRO 8 -8.524 -0.758 -8.482 61 2HB PRO 8 1HB PRO 8 -8.782 -2.487 -8.771 62 1HG PRO 8 2HG PRO 8 -9.333 -0.950 -6.151 63 2HG PRO 8 1HG PRO 8 -10.515 -1.852 -7.109 64 1HD PRO 8 2HD PRO 8 -9.219 -3.053 -5.021 65 2HD PRO 8 1HD PRO 8 -9.511 -3.982 -6.513 66 H LYS 9 H LYS 9 -5.861 -0.464 -8.575 67 HA LYS 9 HA LYS 9 -4.141 0.826 -6.762 68 1HB LYS 9 2HB LYS 9 -4.009 1.202 -9.235 69 2HB LYS 9 1HB LYS 9 -5.562 1.993 -9.251 70 1HG LYS 9 2HG LYS 9 -3.131 3.042 -7.782 71 2HG LYS 9 1HG LYS 9 -3.435 3.437 -9.450 72 1HD LYS 9 2HD LYS 9 -5.231 4.168 -7.044 73 2HD LYS 9 1HD LYS 9 -4.238 5.192 -7.989 74 1HE LYS 9 2HE LYS 9 -6.488 3.742 -9.393 75 2HE LYS 9 1HE LYS 9 -6.784 5.180 -8.437 76 1HZ LYS 9 1HZ LYS 9 -4.543 5.870 -9.801 77 2HZ LYS 9 3HZ LYS 9 -5.461 5.077 -11.027 78 3HZ LYS 9 2HZ LYS 9 -6.038 6.382 -10.105 79 H ASP 10 H ASP 10 -4.348 2.062 -4.980 80 HA ASP 10 HA ASP 10 -6.975 3.063 -4.255 81 1HB ASP 10 2HB ASP 10 -5.820 1.448 -2.836 82 2HB ASP 10 1HB ASP 10 -4.462 2.535 -2.657 83 H GLU 11 H GLU 11 -7.099 5.183 -5.357 84 HA GLU 11 HA GLU 11 -5.411 7.343 -4.162 85 1HB GLU 11 2HB GLU 11 -7.565 7.340 -6.302 86 2HB GLU 11 1HB GLU 11 -6.673 8.770 -5.791 87 1HG GLU 11 2HG GLU 11 -4.522 7.779 -6.351 88 2HG GLU 11 1HG GLU 11 -5.183 6.200 -6.555 89 H GLY 12 H GLY 12 -6.710 6.106 -2.579 90 1HA GLY 12 2HA GLY 12 -8.891 6.090 -1.144 91 2HA GLY 12 1HA GLY 12 -7.519 6.698 -0.296 92 H THR 13 H THR 13 -9.736 8.194 -2.526 93 HA THR 13 HA THR 13 -10.378 10.603 -2.284 94 HB THR 13 HB THR 13 -12.211 9.015 -2.720 95 HG1 THR 13 HG1 THR 13 -12.883 10.832 -0.663 96 1HG2 THR 13 1HG2 THR 13 -12.653 9.052 0.320 97 2HG2 THR 13 3HG2 THR 13 -13.657 8.291 -0.895 98 3HG2 THR 13 2HG2 THR 13 -12.051 7.659 -0.559 99 H CYS 14 H CYS 14 -8.573 10.912 -0.471 100 HA CYS 14 HA CYS 14 -9.969 12.076 1.931 101 1HB CYS 14 2HB CYS 14 -8.465 10.021 2.209 102 2HB CYS 14 1HB CYS 14 -7.103 11.056 1.881 103 H ARG 15 H ARG 15 -7.392 13.173 2.785 104 HA ARG 15 HA ARG 15 -7.313 15.571 0.971 105 1HB ARG 15 2HB ARG 15 -7.720 15.253 3.873 106 2HB ARG 15 1HB ARG 15 -6.674 16.595 3.463 107 1HG ARG 15 2HG ARG 15 -9.306 16.199 1.963 108 2HG ARG 15 1HG ARG 15 -9.331 16.916 3.552 109 1HD ARG 15 2HD ARG 15 -9.177 18.624 1.657 110 2HD ARG 15 1HD ARG 15 -7.931 18.766 2.888 111 HE ARG 15 HE ARG 15 -6.348 17.524 1.331 112 1HH1 ARG 15 2HH1 ARG 15 -8.319 16.408 -0.376 113 2HH1 ARG 15 1HH1 ARG 15 -8.150 17.341 -1.823 114 1HH2 ARG 15 1HH2 ARG 15 -6.498 19.749 0.059 115 2HH2 ARG 15 2HH2 ARG 15 -7.022 19.430 -1.564 116 H ASP 16 H ASP 16 -5.172 13.304 1.749 117 HA ASP 16 HA ASP 16 -2.816 15.036 1.538 118 1HB ASP 16 2HB ASP 16 -1.768 13.178 2.957 119 2HB ASP 16 1HB ASP 16 -3.176 13.854 3.758 120 H PHE 17 H PHE 17 -4.198 13.784 -0.688 121 HA PHE 17 HA PHE 17 -3.118 11.671 -2.005 122 1HB PHE 17 2HB PHE 17 -3.275 14.327 -3.371 123 2HB PHE 17 1HB PHE 17 -3.346 12.767 -4.139 124 HD1 PHE 17 HD2 PHE 17 -5.248 11.267 -3.915 125 HD2 PHE 17 HD1 PHE 17 -5.239 15.069 -2.022 126 HE1 PHE 17 HE2 PHE 17 -7.649 11.037 -3.482 127 HE2 PHE 17 HE1 PHE 17 -7.659 14.837 -1.586 128 HZ PHE 17 HZ PHE 17 -8.861 12.842 -2.309 129 H ILE 18 H ILE 18 -1.199 11.025 -1.568 130 HA ILE 18 HA ILE 18 1.175 12.604 -2.624 131 HB ILE 18 HB ILE 18 1.143 12.079 -0.085 132 1HG1 ILE 18 2HG1 ILE 18 3.215 12.499 -1.641 133 2HG1 ILE 18 1HG1 ILE 18 3.437 12.020 0.024 134 1HG2 ILE 18 1HG2 ILE 18 1.701 9.216 -0.988 135 2HG2 ILE 18 3HG2 ILE 18 1.876 9.824 0.648 136 3HG2 ILE 18 2HG2 ILE 18 0.292 9.795 -0.098 137 1HD1 ILE 18 2HD1 ILE 18 3.669 10.136 -2.380 138 2HD1 ILE 18 1HD1 ILE 18 5.000 10.793 -1.473 139 3HD1 ILE 18 3HD1 ILE 18 3.898 9.669 -0.718 140 H LEU 19 H LEU 19 2.774 11.343 -3.803 141 HA LEU 19 HA LEU 19 1.355 9.372 -5.365 142 1HB LEU 19 2HB LEU 19 2.695 10.085 -7.033 143 2HB LEU 19 1HB LEU 19 3.175 11.321 -5.932 144 HG LEU 19 HG LEU 19 5.120 9.652 -5.155 145 1HD1 LEU 19 1HD1 LEU 19 4.470 8.430 -7.882 146 2HD1 LEU 19 3HD1 LEU 19 5.865 8.054 -6.886 147 3HD1 LEU 19 2HD1 LEU 19 4.273 7.598 -6.360 148 1HD2 LEU 19 2HD2 LEU 19 5.219 10.793 -7.981 149 2HD2 LEU 19 1HD2 LEU 19 5.585 11.679 -6.510 150 3HD2 LEU 19 3HD2 LEU 19 6.604 10.344 -6.997 151 H LYS 20 H LYS 20 1.649 7.214 -5.407 152 HA LYS 20 HA LYS 20 3.899 5.921 -3.921 153 1HB LYS 20 2HB LYS 20 0.912 5.443 -3.452 154 2HB LYS 20 1HB LYS 20 2.147 4.386 -2.790 155 1HG LYS 20 2HG LYS 20 3.194 6.721 -1.886 156 2HG LYS 20 1HG LYS 20 1.630 7.359 -2.260 157 1HD LYS 20 2HD LYS 20 1.614 6.919 0.094 158 2HD LYS 20 1HD LYS 20 0.574 5.720 -0.634 159 1HE LYS 20 2HE LYS 20 3.485 5.109 -0.091 160 2HE LYS 20 1HE LYS 20 2.283 4.971 1.193 161 1HZ LYS 20 2HZ LYS 20 1.175 3.861 -1.129 162 2HZ LYS 20 1HZ LYS 20 2.714 3.208 -1.001 163 3HZ LYS 20 3HZ LYS 20 1.633 2.990 0.260 164 H TRP 21 H TRP 21 3.565 3.309 -4.138 165 HA TRP 21 HA TRP 21 3.284 2.867 -7.089 166 1HB TRP 21 2HB TRP 21 5.007 1.404 -5.025 167 2HB TRP 21 1HB TRP 21 4.826 0.869 -6.679 168 HD1 TRP 21 HD1 TRP 21 6.300 3.858 -4.643 169 HE1 TRP 21 HE1 TRP 21 7.987 4.927 -6.204 170 HE3 TRP 21 HE3 TRP 21 5.563 1.104 -8.772 171 HZ2 TRP 21 HZ2 TRP 21 9.023 4.632 -8.864 172 HZ3 TRP 21 HZ3 TRP 21 6.897 1.432 -10.812 173 HH2 TRP 21 HH2 TRP 21 8.648 3.195 -10.875 174 H TYR 22 H TYR 22 1.949 1.208 -7.785 175 HA TYR 22 HA TYR 22 0.724 -0.533 -5.653 176 1HB TYR 22 2HB TYR 22 -1.451 0.121 -6.267 177 2HB TYR 22 1HB TYR 22 -0.683 1.545 -6.894 178 HD1 TYR 22 HD1 TYR 22 -0.149 1.647 -9.509 179 HD2 TYR 22 HD2 TYR 22 -2.396 -1.398 -7.592 180 HE1 TYR 22 HE1 TYR 22 -1.155 0.895 -11.707 181 HE2 TYR 22 HE2 TYR 22 -3.348 -2.112 -9.785 182 HH TYR 22 HH TYR 22 -2.475 -1.749 -12.428 183 H TYR 23 H TYR 23 0.106 -2.518 -6.340 184 HA TYR 23 HA TYR 23 1.695 -3.653 -8.541 185 1HB TYR 23 2HB TYR 23 1.441 -4.653 -6.142 186 2HB TYR 23 1HB TYR 23 -0.216 -5.018 -6.666 187 HD1 TYR 23 HD1 TYR 23 3.310 -5.715 -7.758 188 HD2 TYR 23 HD2 TYR 23 -0.753 -6.963 -7.610 189 HE1 TYR 23 HE1 TYR 23 3.926 -7.908 -8.762 190 HE2 TYR 23 HE2 TYR 23 -0.083 -9.135 -8.629 191 HH TYR 23 HH TYR 23 3.014 -10.091 -8.979 192 H ASP 24 H ASP 24 1.008 -4.180 -10.380 193 HA ASP 24 HA ASP 24 -1.856 -4.100 -11.102 194 1HB ASP 24 2HB ASP 24 -0.405 -2.509 -12.063 195 2HB ASP 24 1HB ASP 24 0.678 -3.771 -12.684 196 HA PRO 25 HA PRO 25 -1.165 -8.807 -11.162 197 1HB PRO 25 2HB PRO 25 -3.949 -8.978 -11.815 198 2HB PRO 25 1HB PRO 25 -3.198 -9.255 -10.243 199 1HG PRO 25 2HG PRO 25 -4.334 -6.634 -11.346 200 2HG PRO 25 1HG PRO 25 -4.551 -7.332 -9.730 201 1HD PRO 25 2HD PRO 25 -2.797 -5.402 -9.956 202 2HD PRO 25 1HD PRO 25 -2.244 -6.871 -9.129 203 H ASN 26 H ASN 26 -2.362 -6.656 -13.613 204 HA ASN 26 HA ASN 26 -2.554 -8.555 -15.801 205 1HB ASN 26 2HB ASN 26 -2.003 -5.526 -16.020 206 2HB ASN 26 1HB ASN 26 -2.820 -6.543 -17.180 207 1HD2 ASN 26 2HD2 ASN 26 -4.972 -4.874 -14.367 208 2HD2 ASN 26 1HD2 ASN 26 -3.357 -4.409 -14.624 209 H THR 27 H THR 27 -0.072 -6.458 -14.647 210 HA THR 27 HA THR 27 1.957 -7.564 -16.595 211 HB THR 27 HB THR 27 3.550 -5.840 -15.557 212 HG1 THR 27 HG1 THR 27 1.227 -4.953 -14.198 213 1HG2 THR 27 3HG2 THR 27 0.817 -4.617 -16.156 214 2HG2 THR 27 2HG2 THR 27 2.355 -3.782 -16.140 215 3HG2 THR 27 1HG2 THR 27 2.013 -4.989 -17.373 216 H LYS 28 H LYS 28 1.525 -7.006 -13.301 217 HA LYS 28 HA LYS 28 1.694 -8.148 -11.402 218 1HB LYS 28 2HB LYS 28 3.522 -10.092 -12.995 219 2HB LYS 28 1HB LYS 28 3.120 -10.333 -11.323 220 1HG LYS 28 2HG LYS 28 0.730 -10.365 -11.759 221 2HG LYS 28 1HG LYS 28 0.950 -10.047 -13.449 222 1HD LYS 28 2HD LYS 28 1.857 -12.570 -11.857 223 2HD LYS 28 1HD LYS 28 0.633 -12.610 -13.086 224 1HE LYS 28 2HE LYS 28 3.617 -12.187 -13.419 225 2HE LYS 28 1HE LYS 28 2.609 -13.496 -14.032 226 1HZ LYS 28 1HZ LYS 28 1.402 -11.139 -14.842 227 2HZ LYS 28 3HZ LYS 28 3.022 -10.886 -15.140 228 3HZ LYS 28 2HZ LYS 28 2.238 -12.235 -15.853 229 H SER 29 H SER 29 2.976 -5.974 -12.295 230 HA SER 29 HA SER 29 5.359 -5.995 -10.604 231 1HB SER 29 2HB SER 29 6.503 -4.548 -12.405 232 2HB SER 29 1HB SER 29 5.906 -6.024 -13.153 233 HG SER 29 HG SER 29 3.835 -4.709 -13.573 234 H CYS 30 H CYS 30 5.542 -2.997 -11.005 235 HA CYS 30 HA CYS 30 2.883 -2.150 -9.989 236 1HB CYS 30 2HB CYS 30 5.488 -1.975 -8.580 237 2HB CYS 30 1HB CYS 30 4.261 -0.769 -8.259 238 H ALA 31 H ALA 31 2.329 -0.063 -10.124 239 HA ALA 31 HA ALA 31 3.966 1.737 -11.855 240 1HB ALA 31 1HB ALA 31 2.007 0.720 -13.058 241 2HB ALA 31 3HB ALA 31 0.930 1.310 -11.811 242 3HB ALA 31 2HB ALA 31 1.751 2.448 -12.868 243 H ARG 32 H ARG 32 3.222 3.924 -11.592 244 HA ARG 32 HA ARG 32 3.148 4.711 -8.778 245 1HB ARG 32 2HB ARG 32 3.846 6.082 -11.339 246 2HB ARG 32 1HB ARG 32 4.025 6.874 -9.754 247 1HG ARG 32 2HG ARG 32 5.811 5.417 -9.112 248 2HG ARG 32 1HG ARG 32 5.332 4.146 -10.191 249 1HD ARG 32 2HD ARG 32 7.308 5.054 -11.159 250 2HD ARG 32 1HD ARG 32 5.998 5.658 -12.149 251 HE ARG 32 HE ARG 32 7.249 7.283 -9.906 252 1HH1 ARG 32 2HH1 ARG 32 4.818 8.067 -11.105 253 2HH1 ARG 32 1HH1 ARG 32 5.260 9.307 -12.239 254 1HH2 ARG 32 1HH2 ARG 32 8.517 8.093 -12.022 255 2HH2 ARG 32 2HH2 ARG 32 7.570 9.320 -12.793 256 H PHE 33 H PHE 33 1.487 5.637 -7.857 257 HA PHE 33 HA PHE 33 -0.569 7.161 -9.429 258 1HB PHE 33 2HB PHE 33 -2.340 5.739 -8.785 259 2HB PHE 33 1HB PHE 33 -1.031 4.613 -9.054 260 HD1 PHE 33 HD2 PHE 33 -3.048 6.287 -6.607 261 HD2 PHE 33 HD1 PHE 33 0.054 3.457 -7.115 262 HE1 PHE 33 HE2 PHE 33 -3.396 5.553 -4.349 263 HE2 PHE 33 HE1 PHE 33 -0.313 2.672 -4.779 264 HZ PHE 33 HZ PHE 33 -2.044 3.735 -3.399 265 H TRP 34 H TRP 34 -2.427 8.016 -7.798 266 HA TRP 34 HA TRP 34 -1.004 9.595 -5.673 267 1HB TRP 34 2HB TRP 34 -3.482 10.100 -7.455 268 2HB TRP 34 1HB TRP 34 -3.179 11.103 -6.108 269 HD1 TRP 34 HD1 TRP 34 -2.483 10.700 -9.365 270 HE1 TRP 34 HE1 TRP 34 -0.526 12.295 -10.101 271 HE3 TRP 34 HE3 TRP 34 -0.822 11.997 -4.911 272 HZ2 TRP 34 HZ2 TRP 34 1.464 13.926 -8.857 273 HZ3 TRP 34 HZ3 TRP 34 1.053 13.575 -4.601 274 HH2 TRP 34 HH2 TRP 34 2.212 14.537 -6.567 275 H TYR 35 H TYR 35 -1.217 7.993 -3.980 276 HA TYR 35 HA TYR 35 -3.917 7.350 -2.985 277 1HB TYR 35 2HB TYR 35 -2.771 5.549 -2.292 278 2HB TYR 35 1HB TYR 35 -1.218 6.336 -2.548 279 HD1 TYR 35 HD1 TYR 35 -0.455 7.964 -0.778 280 HD2 TYR 35 HD2 TYR 35 -3.622 5.232 -0.100 281 HE1 TYR 35 HE1 TYR 35 -0.177 8.258 1.677 282 HE2 TYR 35 HE2 TYR 35 -3.318 5.535 2.361 283 HH TYR 35 HH TYR 35 -1.794 8.013 3.643 284 H GLY 36 H GLY 36 -4.742 7.593 -1.049 285 1HA GLY 36 2HA GLY 36 -4.049 10.046 0.565 286 2HA GLY 36 1HA GLY 36 -5.718 9.694 0.134 287 H GLY 37 H GLY 37 -4.039 9.835 2.640 288 1HA GLY 37 2HA GLY 37 -3.792 7.488 4.103 289 2HA GLY 37 1HA GLY 37 -4.120 9.041 4.802 290 H CYS 38 H CYS 38 -6.894 9.213 3.972 291 HA CYS 38 HA CYS 38 -7.909 7.206 5.933 292 1HB CYS 38 2HB CYS 38 -9.633 8.737 6.424 293 2HB CYS 38 1HB CYS 38 -8.113 9.572 6.381 294 H GLY 39 H GLY 39 -9.341 8.257 2.765 295 1HA GLY 39 2HA GLY 39 -11.264 5.961 3.123 296 2HA GLY 39 1HA GLY 39 -11.440 7.243 1.956 297 H GLY 40 H GLY 40 -9.071 4.769 2.628 298 1HA GLY 40 2HA GLY 40 -9.260 3.791 -0.223 299 2HA GLY 40 1HA GLY 40 -7.707 4.103 0.487 300 H ASN 41 H ASN 41 -7.446 2.009 -0.436 301 HA ASN 41 HA ASN 41 -8.049 -0.260 1.442 302 1HB ASN 41 2HB ASN 41 -8.325 -1.722 -0.464 303 2HB ASN 41 1HB ASN 41 -9.118 -0.248 -0.997 304 1HD2 ASN 41 2HD2 ASN 41 -7.048 -0.081 -3.791 305 2HD2 ASN 41 1HD2 ASN 41 -8.426 0.529 -3.008 306 H GLU 42 H GLU 42 -6.075 -2.123 0.700 307 HA GLU 42 HA GLU 42 -3.657 -0.481 1.316 308 1HB GLU 42 2HB GLU 42 -4.179 -3.408 1.805 309 2HB GLU 42 1HB GLU 42 -2.729 -2.536 2.266 310 1HG GLU 42 2HG GLU 42 -5.556 -2.036 3.368 311 2HG GLU 42 1HG GLU 42 -4.115 -2.457 4.256 312 H ASN 43 H ASN 43 -4.332 -1.456 -1.699 313 HA ASN 43 HA ASN 43 -1.626 -2.654 -2.258 314 1HB ASN 43 2HB ASN 43 -3.612 -3.413 -3.452 315 2HB ASN 43 1HB ASN 43 -3.935 -1.821 -4.129 316 1HD2 ASN 43 2HD2 ASN 43 -2.205 -3.537 -6.822 317 2HD2 ASN 43 1HD2 ASN 43 -3.729 -3.498 -6.079 318 H LYS 44 H LYS 44 -0.941 -0.785 -1.134 319 HA LYS 44 HA LYS 44 0.068 1.309 -2.988 320 1HB LYS 44 2HB LYS 44 -0.752 3.154 -1.490 321 2HB LYS 44 1HB LYS 44 -2.033 2.044 -1.897 322 1HG LYS 44 2HG LYS 44 -1.397 0.760 0.331 323 2HG LYS 44 1HG LYS 44 -0.630 2.258 0.807 324 1HD LYS 44 2HD LYS 44 -2.827 3.445 0.182 325 2HD LYS 44 1HD LYS 44 -3.504 1.883 -0.112 326 1HE LYS 44 2HE LYS 44 -3.024 1.255 2.267 327 2HE LYS 44 1HE LYS 44 -2.551 2.909 2.593 328 1HZ LYS 44 2HZ LYS 44 -4.969 2.834 1.074 329 2HZ LYS 44 1HZ LYS 44 -5.081 1.804 2.361 330 3HZ LYS 44 3HZ LYS 44 -4.822 3.441 2.669 331 H PHE 45 H PHE 45 2.201 0.985 -3.001 332 HA PHE 45 HA PHE 45 3.777 0.755 -0.467 333 1HB PHE 45 2HB PHE 45 4.457 -0.026 -3.345 334 2HB PHE 45 1HB PHE 45 5.407 -0.416 -1.916 335 HD1 PHE 45 HD2 PHE 45 4.369 -1.705 -0.116 336 HD2 PHE 45 HD1 PHE 45 2.495 -1.387 -3.923 337 HE1 PHE 45 HE2 PHE 45 2.979 -3.626 0.450 338 HE2 PHE 45 HE1 PHE 45 1.097 -3.325 -3.367 339 HZ PHE 45 HZ PHE 45 1.303 -4.445 -1.225 340 H GLY 46 H GLY 46 5.944 1.588 -0.670 341 1HA GLY 46 2HA GLY 46 6.038 4.507 -1.373 342 2HA GLY 46 1HA GLY 46 7.235 3.651 -0.406 343 H SER 47 H SER 47 7.616 1.578 -2.379 344 HA SER 47 HA SER 47 8.751 2.880 -4.769 345 1HB SER 47 2HB SER 47 10.426 1.433 -2.736 346 2HB SER 47 1HB SER 47 10.974 1.819 -4.386 347 HG SER 47 HG SER 47 9.759 3.986 -3.161 348 H GLN 48 H GLN 48 8.984 1.438 -6.557 349 HA GLN 48 HA GLN 48 7.321 -0.802 -6.738 350 1HB GLN 48 2HB GLN 48 8.453 0.290 -8.676 351 2HB GLN 48 1HB GLN 48 10.000 -0.385 -8.189 352 1HG GLN 48 2HG GLN 48 9.156 -2.719 -8.540 353 2HG GLN 48 1HG GLN 48 7.533 -2.148 -8.775 354 1HE2 GLN 48 2HE2 GLN 48 9.239 -0.882 -12.010 355 2HE2 GLN 48 1HE2 GLN 48 9.230 0.038 -10.571 356 H LYS 49 H LYS 49 10.682 -0.825 -5.780 357 HA LYS 49 HA LYS 49 10.901 -3.623 -5.462 358 1HB LYS 49 2HB LYS 49 12.315 -1.246 -4.076 359 2HB LYS 49 1HB LYS 49 12.805 -2.883 -3.713 360 1HG LYS 49 2HG LYS 49 12.771 -1.716 -6.556 361 2HG LYS 49 1HG LYS 49 14.203 -1.818 -5.545 362 1HD LYS 49 2HD LYS 49 13.932 -4.327 -5.388 363 2HD LYS 49 1HD LYS 49 12.482 -4.243 -6.353 364 1HE LYS 49 2HE LYS 49 13.680 -3.478 -8.292 365 2HE LYS 49 1HE LYS 49 15.203 -3.545 -7.394 366 1HZ LYS 49 2HZ LYS 49 13.732 -5.927 -6.921 367 2HZ LYS 49 1HZ LYS 49 13.662 -5.748 -8.492 368 3HZ LYS 49 3HZ LYS 49 15.190 -5.864 -7.749 369 H GLU 50 H GLU 50 9.467 -1.433 -3.117 370 HA GLU 50 HA GLU 50 9.348 -3.267 -0.986 371 1HB GLU 50 2HB GLU 50 9.035 -0.928 -0.746 372 2HB GLU 50 1HB GLU 50 7.587 -0.972 -1.763 373 1HG GLU 50 2HG GLU 50 6.473 -2.447 -0.022 374 2HG GLU 50 1HG GLU 50 7.942 -2.438 0.926 375 H CYS 51 H CYS 51 7.121 -2.250 -3.417 376 HA CYS 51 HA CYS 51 4.916 -3.980 -3.257 377 1HB CYS 51 2HB CYS 51 4.574 -2.513 -4.936 378 2HB CYS 51 1HB CYS 51 6.246 -2.368 -5.351 379 H GLU 52 H GLU 52 7.760 -4.461 -5.190 380 HA GLU 52 HA GLU 52 7.500 -7.112 -6.155 381 1HB GLU 52 2HB GLU 52 9.216 -5.502 -6.906 382 2HB GLU 52 1HB GLU 52 9.949 -5.473 -5.332 383 1HG GLU 52 2HG GLU 52 10.367 -8.140 -5.782 384 2HG GLU 52 1HG GLU 52 9.994 -7.689 -7.417 385 H LYS 53 H LYS 53 8.454 -5.983 -3.084 386 HA LYS 53 HA LYS 53 9.165 -8.710 -2.103 387 1HB LYS 53 2HB LYS 53 9.914 -5.993 -1.436 388 2HB LYS 53 1HB LYS 53 8.958 -6.544 -0.102 389 1HG LYS 53 2HG LYS 53 11.323 -7.065 0.341 390 2HG LYS 53 1HG LYS 53 10.363 -8.512 0.248 391 1HD LYS 53 2HD LYS 53 12.613 -8.689 -0.939 392 2HD LYS 53 1HD LYS 53 11.269 -9.130 -1.945 393 1HE LYS 53 2HE LYS 53 12.459 -6.324 -1.994 394 2HE LYS 53 1HE LYS 53 13.104 -7.623 -2.995 395 1HZ LYS 53 3HZ LYS 53 10.320 -7.721 -3.218 396 2HZ LYS 53 2HZ LYS 53 10.744 -6.114 -3.421 397 3HZ LYS 53 1HZ LYS 53 11.396 -7.280 -4.418 398 H VAL 54 H VAL 54 6.347 -6.765 -2.070 399 HA VAL 54 HA VAL 54 5.084 -8.407 0.052 400 HB VAL 54 HB VAL 54 4.327 -5.923 -1.522 401 1HG1 VAL 54 1HG1 VAL 54 2.869 -7.310 0.827 402 2HG1 VAL 54 3HG1 VAL 54 2.385 -5.773 0.143 403 3HG1 VAL 54 2HG1 VAL 54 2.241 -7.240 -0.807 404 1HG2 VAL 54 2HG2 VAL 54 5.087 -6.382 1.406 405 2HG2 VAL 54 1HG2 VAL 54 6.100 -5.640 0.182 406 3HG2 VAL 54 3HG2 VAL 54 4.656 -4.828 0.718 407 H CYS 55 H CYS 55 4.633 -7.784 -3.372 408 HA CYS 55 HA CYS 55 2.821 -10.208 -3.551 409 1HB CYS 55 2HB CYS 55 1.667 -7.989 -3.966 410 2HB CYS 55 1HB CYS 55 2.701 -7.752 -5.362 411 H ALA 56 H ALA 56 5.132 -8.331 -5.250 412 HA ALA 56 HA ALA 56 6.973 -8.881 -6.797 413 1HB ALA 56 3HB ALA 56 7.198 -10.438 -5.038 414 2HB ALA 56 2HB ALA 56 6.196 -11.574 -5.915 415 3HB ALA 56 1HB ALA 56 7.747 -11.085 -6.598 416 HA PRO 57 HA PRO 57 5.559 -10.114 -10.762 417 1HB PRO 57 2HB PRO 57 7.706 -9.657 -12.191 418 2HB PRO 57 1HB PRO 57 7.110 -8.390 -11.103 419 1HG PRO 57 2HG PRO 57 9.365 -10.414 -10.616 420 2HG PRO 57 1HG PRO 57 9.414 -8.678 -10.308 421 1HD PRO 57 2HD PRO 57 8.745 -10.688 -8.408 422 2HD PRO 57 1HD PRO 57 8.425 -8.944 -8.221 423 H VAL 58 HN VAL 58 4.855 -12.295 -10.543 424 HA VAL 58 HA VAL 58 6.621 -14.292 -11.901 425 HB VAL 58 HB VAL 58 4.587 -14.753 -9.660 426 1HG1 VAL 58 1HG1 VAL 58 6.530 -16.672 -11.025 427 2HG1 VAL 58 3HG1 VAL 58 5.481 -17.101 -9.674 428 3HG1 VAL 58 2HG1 VAL 58 4.788 -16.642 -11.226 429 1HG2 VAL 58 1HG2 VAL 58 7.644 -14.946 -9.618 430 2HG2 VAL 58 3HG2 VAL 58 6.696 -13.701 -8.821 431 3HG2 VAL 58 2HG2 VAL 58 6.596 -15.365 -8.265 No H/Q in entry = 431 Start of MODEL 2 1 1H GLU 1 3H GLU 1 -5.857 -15.162 -1.060 2 2H GLU 1 2H GLU 1 -7.101 -16.190 -0.838 3 3H GLU 1 1H GLU 1 -7.301 -14.833 -1.876 4 HA GLU 1 HA GLU 1 -8.006 -13.626 0.037 5 1HB GLU 1 2HB GLU 1 -7.760 -15.230 2.334 6 2HB GLU 1 1HB GLU 1 -8.962 -15.657 1.143 7 1HG GLU 1 2HG GLU 1 -7.416 -17.490 2.073 8 2HG GLU 1 1HG GLU 1 -7.712 -17.532 0.367 9 H THR 2 H THR 2 -6.848 -12.200 1.759 10 HA THR 2 HA THR 2 -4.872 -10.814 2.109 11 HB THR 2 HB THR 2 -4.434 -12.682 3.845 12 HG1 THR 2 HG1 THR 2 -2.118 -12.032 2.421 13 1HG2 THR 2 3HG2 THR 2 -2.504 -13.783 1.709 14 2HG2 THR 2 2HG2 THR 2 -2.670 -14.290 3.374 15 3HG2 THR 2 1HG2 THR 2 -3.929 -14.639 2.229 16 H ASP 3 H ASP 3 -5.585 -11.468 -0.169 17 HA ASP 3 HA ASP 3 -3.420 -11.826 -2.164 18 1HB ASP 3 2HB ASP 3 -4.992 -13.553 -2.005 19 2HB ASP 3 1HB ASP 3 -6.374 -12.497 -1.752 20 H ILE 4 H ILE 4 -3.525 -9.452 -0.959 21 HA ILE 4 HA ILE 4 -4.912 -7.287 -1.994 22 HB ILE 4 HB ILE 4 -3.135 -5.951 -1.093 23 1HG1 ILE 4 2HG1 ILE 4 -1.184 -7.357 0.083 24 2HG1 ILE 4 1HG1 ILE 4 -1.532 -8.554 -1.138 25 1HG2 ILE 4 2HG2 ILE 4 -4.713 -7.011 0.454 26 2HG2 ILE 4 1HG2 ILE 4 -3.711 -8.432 0.611 27 3HG2 ILE 4 3HG2 ILE 4 -3.159 -6.900 1.230 28 1HD1 ILE 4 3HD1 ILE 4 -0.742 -5.654 -1.702 29 2HD1 ILE 4 2HD1 ILE 4 0.297 -7.054 -1.874 30 3HD1 ILE 4 1HD1 ILE 4 -1.056 -6.851 -2.944 31 H CYS 5 H CYS 5 -2.801 -9.175 -3.640 32 HA CYS 5 HA CYS 5 -1.777 -7.242 -5.580 33 1HB CYS 5 2HB CYS 5 -1.664 -10.248 -5.500 34 2HB CYS 5 1HB CYS 5 -0.573 -9.178 -6.365 35 H LYS 6 H LYS 6 -4.750 -9.115 -5.418 36 HA LYS 6 HA LYS 6 -5.098 -8.844 -8.320 37 1HB LYS 6 2HB LYS 6 -5.158 -11.104 -7.374 38 2HB LYS 6 1HB LYS 6 -6.203 -10.560 -6.059 39 1HG LYS 6 2HG LYS 6 -7.960 -10.212 -7.351 40 2HG LYS 6 1HG LYS 6 -7.043 -10.008 -8.838 41 1HD LYS 6 2HD LYS 6 -8.126 -12.149 -9.206 42 2HD LYS 6 1HD LYS 6 -6.569 -12.639 -8.589 43 1HE LYS 6 2HE LYS 6 -9.069 -12.340 -6.887 44 2HE LYS 6 1HE LYS 6 -8.472 -13.871 -7.529 45 1HZ LYS 6 2HZ LYS 6 -6.295 -12.494 -6.292 46 2HZ LYS 6 1HZ LYS 6 -7.499 -12.483 -5.221 47 3HZ LYS 6 3HZ LYS 6 -6.944 -13.900 -5.741 48 H LEU 7 H LEU 7 -5.186 -6.717 -6.371 49 HA LEU 7 HA LEU 7 -7.957 -5.884 -6.382 50 1HB LEU 7 2HB LEU 7 -5.539 -4.710 -4.941 51 2HB LEU 7 1HB LEU 7 -7.167 -4.172 -4.661 52 HG LEU 7 HG LEU 7 -5.999 -6.889 -4.030 53 1HD1 LEU 7 1HD1 LEU 7 -7.184 -4.599 -2.348 54 2HD1 LEU 7 3HD1 LEU 7 -6.599 -6.082 -1.664 55 3HD1 LEU 7 2HD1 LEU 7 -5.485 -4.983 -2.450 56 1HD2 LEU 7 1HD2 LEU 7 -8.857 -5.856 -3.610 57 2HD2 LEU 7 3HD2 LEU 7 -8.405 -7.132 -4.736 58 3HD2 LEU 7 2HD2 LEU 7 -8.231 -7.380 -3.013 59 HA PRO 8 HA PRO 8 -6.540 -2.269 -8.845 60 1HB PRO 8 2HB PRO 8 -8.721 -0.758 -8.860 61 2HB PRO 8 1HB PRO 8 -8.843 -2.432 -9.431 62 1HG PRO 8 2HG PRO 8 -9.649 -1.291 -6.702 63 2HG PRO 8 1HG PRO 8 -10.512 -2.474 -7.680 64 1HD PRO 8 2HD PRO 8 -8.625 -3.017 -5.555 65 2HD PRO 8 1HD PRO 8 -9.354 -4.231 -6.638 66 H LYS 9 H LYS 9 -6.668 0.123 -8.670 67 HA LYS 9 HA LYS 9 -5.232 0.947 -6.191 68 1HB LYS 9 2HB LYS 9 -3.978 1.361 -8.112 69 2HB LYS 9 1HB LYS 9 -5.322 1.890 -9.068 70 1HG LYS 9 2HG LYS 9 -4.875 3.701 -6.722 71 2HG LYS 9 1HG LYS 9 -3.423 3.472 -7.647 72 1HD LYS 9 2HD LYS 9 -4.756 5.410 -8.473 73 2HD LYS 9 1HD LYS 9 -4.508 4.219 -9.729 74 1HE LYS 9 2HE LYS 9 -6.874 3.335 -9.213 75 2HE LYS 9 1HE LYS 9 -7.030 4.685 -8.091 76 1HZ LYS 9 3HZ LYS 9 -6.040 5.864 -10.319 77 2HZ LYS 9 2HZ LYS 9 -7.264 4.831 -10.972 78 3HZ LYS 9 1HZ LYS 9 -7.523 5.984 -9.756 79 H ASP 10 H ASP 10 -6.115 2.268 -4.683 80 HA ASP 10 HA ASP 10 -8.683 3.649 -5.239 81 1HB ASP 10 2HB ASP 10 -7.783 3.391 -2.406 82 2HB ASP 10 1HB ASP 10 -9.343 3.050 -3.111 83 H GLU 11 H GLU 11 -8.458 5.902 -5.572 84 HA GLU 11 HA GLU 11 -6.128 7.298 -4.376 85 1HB GLU 11 2HB GLU 11 -8.327 8.138 -6.232 86 2HB GLU 11 1HB GLU 11 -7.174 9.291 -5.579 87 1HG GLU 11 2HG GLU 11 -5.562 8.679 -7.105 88 2HG GLU 11 1HG GLU 11 -5.620 7.034 -6.549 89 H GLY 12 H GLY 12 -7.518 6.425 -2.632 90 1HA GLY 12 2HA GLY 12 -8.981 6.608 -0.645 91 2HA GLY 12 1HA GLY 12 -7.763 7.789 -0.304 92 H THR 13 H THR 13 -9.538 8.584 1.124 93 HA THR 13 HA THR 13 -11.732 10.029 -0.357 94 HB THR 13 HB THR 13 -11.417 9.620 2.678 95 HG1 THR 13 HG1 THR 13 -12.207 8.128 0.627 96 1HG2 THR 13 1HG2 THR 13 -13.789 10.466 0.936 97 2HG2 THR 13 3HG2 THR 13 -13.744 10.330 2.681 98 3HG2 THR 13 2HG2 THR 13 -12.894 11.647 1.886 99 H CYS 14 H CYS 14 -9.376 10.986 2.206 100 HA CYS 14 HA CYS 14 -9.943 13.786 1.773 101 1HB CYS 14 2HB CYS 14 -7.641 12.316 3.135 102 2HB CYS 14 1HB CYS 14 -7.879 14.029 3.236 103 H ARG 15 H ARG 15 -7.520 15.123 1.344 104 HA ARG 15 HA ARG 15 -6.541 14.064 -1.286 105 1HB ARG 15 2HB ARG 15 -7.755 16.820 -0.712 106 2HB ARG 15 1HB ARG 15 -6.855 16.513 -2.179 107 1HG ARG 15 2HG ARG 15 -9.339 14.873 -1.322 108 2HG ARG 15 1HG ARG 15 -9.410 16.217 -2.434 109 1HD ARG 15 2HD ARG 15 -8.172 15.081 -4.113 110 2HD ARG 15 1HD ARG 15 -7.478 13.952 -2.967 111 HE ARG 15 HE ARG 15 -10.443 13.846 -3.608 112 1HH1 ARG 15 1HH2 ARG 15 -9.694 12.166 -1.555 113 2HH1 ARG 15 2HH2 ARG 15 -9.394 10.659 -2.390 114 1HH2 ARG 15 2HH1 ARG 15 -8.968 12.154 -5.349 115 2HH2 ARG 15 1HH1 ARG 15 -8.906 10.691 -4.401 116 H ASP 16 H ASP 16 -5.174 13.632 0.559 117 HA ASP 16 HA ASP 16 -2.834 15.440 0.815 118 1HB ASP 16 2HB ASP 16 -2.874 13.115 2.618 119 2HB ASP 16 1HB ASP 16 -3.141 14.794 3.058 120 H PHE 17 H PHE 17 -3.532 13.967 -1.438 121 HA PHE 17 HA PHE 17 -2.762 11.814 -2.567 122 1HB PHE 17 2HB PHE 17 -1.650 14.484 -3.332 123 2HB PHE 17 1HB PHE 17 -1.432 13.051 -4.316 124 HD1 PHE 17 HD2 PHE 17 -4.550 12.213 -3.116 125 HD2 PHE 17 HD1 PHE 17 -2.683 15.198 -5.520 126 HE1 PHE 17 HE2 PHE 17 -6.624 12.545 -4.306 127 HE2 PHE 17 HE1 PHE 17 -4.792 15.543 -6.710 128 HZ PHE 17 HZ PHE 17 -6.773 14.226 -6.118 129 H ILE 18 H ILE 18 0.147 13.479 -2.139 130 HA ILE 18 HA ILE 18 2.443 12.756 -2.408 131 HB ILE 18 HB ILE 18 3.190 11.455 -0.427 132 1HG1 ILE 18 2HG1 ILE 18 1.310 10.496 1.117 133 2HG1 ILE 18 1HG1 ILE 18 0.429 10.329 -0.373 134 1HG2 ILE 18 2HG2 ILE 18 2.462 13.687 0.097 135 2HG2 ILE 18 1HG2 ILE 18 0.825 13.118 0.357 136 3HG2 ILE 18 3HG2 ILE 18 2.109 12.588 1.411 137 1HD1 ILE 18 1HD1 ILE 18 3.261 9.225 0.084 138 2HD1 ILE 18 3HD1 ILE 18 1.801 8.261 0.143 139 3HD1 ILE 18 2HD1 ILE 18 2.307 8.979 -1.369 140 H LEU 19 H LEU 19 3.991 10.812 -3.148 141 HA LEU 19 HA LEU 19 2.320 9.075 -4.902 142 1HB LEU 19 2HB LEU 19 3.887 9.490 -6.391 143 2HB LEU 19 1HB LEU 19 4.562 10.623 -5.285 144 HG LEU 19 HG LEU 19 5.979 8.599 -4.300 145 1HD1 LEU 19 3HD1 LEU 19 5.273 7.388 -7.020 146 2HD1 LEU 19 2HD1 LEU 19 6.464 6.776 -5.894 147 3HD1 LEU 19 1HD1 LEU 19 4.778 6.718 -5.488 148 1HD2 LEU 19 1HD2 LEU 19 6.565 9.522 -7.142 149 2HD2 LEU 19 3HD2 LEU 19 7.026 10.368 -5.672 150 3HD2 LEU 19 2HD2 LEU 19 7.719 8.804 -6.029 151 H LYS 20 H LYS 20 2.112 7.046 -4.863 152 HA LYS 20 HA LYS 20 3.798 5.374 -3.072 153 1HB LYS 20 2HB LYS 20 0.751 5.333 -3.323 154 2HB LYS 20 1HB LYS 20 1.627 4.124 -2.421 155 1HG LYS 20 2HG LYS 20 2.599 6.601 -1.394 156 2HG LYS 20 1HG LYS 20 0.966 6.977 -1.821 157 1HD LYS 20 2HD LYS 20 0.968 6.225 0.559 158 2HD LYS 20 1HD LYS 20 0.040 5.149 -0.442 159 1HE LYS 20 2HE LYS 20 1.540 3.941 1.197 160 2HE LYS 20 1HE LYS 20 1.820 3.488 -0.473 161 1HZ LYS 20 3HZ LYS 20 3.336 5.800 0.052 162 2HZ LYS 20 2HZ LYS 20 3.695 4.669 1.283 163 3HZ LYS 20 1HZ LYS 20 3.890 4.274 -0.358 164 H TRP 21 H TRP 21 3.573 2.872 -3.680 165 HA TRP 21 HA TRP 21 3.162 2.693 -6.634 166 1HB TRP 21 2HB TRP 21 5.081 1.162 -4.784 167 2HB TRP 21 1HB TRP 21 4.750 0.669 -6.428 168 HD1 TRP 21 HD1 TRP 21 6.244 3.673 -4.472 169 HE1 TRP 21 HE1 TRP 21 7.825 4.798 -6.114 170 HE3 TRP 21 HE3 TRP 21 5.372 0.922 -8.575 171 HZ2 TRP 21 HZ2 TRP 21 8.724 4.551 -8.834 172 HZ3 TRP 21 HZ3 TRP 21 6.589 1.297 -10.678 173 HH2 TRP 21 HH2 TRP 21 8.280 3.104 -10.828 174 H TYR 22 H TYR 22 1.735 1.114 -7.256 175 HA TYR 22 HA TYR 22 0.682 -0.739 -5.117 176 1HB TYR 22 2HB TYR 22 -1.547 -0.050 -5.533 177 2HB TYR 22 1HB TYR 22 -0.767 1.422 -6.023 178 HD1 TYR 22 HD1 TYR 22 -0.491 1.940 -8.491 179 HD2 TYR 22 HD2 TYR 22 -2.571 -1.507 -7.123 180 HE1 TYR 22 HE1 TYR 22 -1.570 1.635 -10.730 181 HE2 TYR 22 HE2 TYR 22 -3.607 -1.776 -9.356 182 HH TYR 22 HH TYR 22 -2.977 -0.950 -11.842 183 H TYR 23 H TYR 23 0.053 -2.757 -5.890 184 HA TYR 23 HA TYR 23 1.487 -3.653 -8.273 185 1HB TYR 23 2HB TYR 23 1.478 -4.882 -6.094 186 2HB TYR 23 1HB TYR 23 -0.248 -5.164 -6.297 187 HD1 TYR 23 HD1 TYR 23 -1.146 -6.554 -8.028 188 HD2 TYR 23 HD2 TYR 23 3.044 -6.104 -7.584 189 HE1 TYR 23 HE1 TYR 23 -0.797 -8.494 -9.502 190 HE2 TYR 23 HE2 TYR 23 3.384 -8.057 -9.064 191 HH TYR 23 HH TYR 23 2.448 -9.395 -10.487 192 H ASP 24 H ASP 24 0.666 -3.770 -10.132 193 HA ASP 24 HA ASP 24 -2.209 -3.510 -10.694 194 1HB ASP 24 2HB ASP 24 -0.775 -1.860 -11.495 195 2HB ASP 24 1HB ASP 24 0.272 -3.030 -12.305 196 HA PRO 25 HA PRO 25 -1.899 -8.103 -11.703 197 1HB PRO 25 2HB PRO 25 -4.701 -8.159 -12.058 198 2HB PRO 25 1HB PRO 25 -3.835 -8.552 -10.572 199 1HG PRO 25 2HG PRO 25 -4.946 -5.808 -11.392 200 2HG PRO 25 1HG PRO 25 -5.195 -6.659 -9.857 201 1HD PRO 25 2HD PRO 25 -3.383 -4.807 -9.905 202 2HD PRO 25 1HD PRO 25 -2.867 -6.359 -9.239 203 H ASN 26 H ASN 26 -2.899 -5.369 -13.588 204 HA ASN 26 HA ASN 26 -3.491 -6.869 -16.034 205 1HB ASN 26 2HB ASN 26 -4.328 -4.484 -15.513 206 2HB ASN 26 1HB ASN 26 -2.711 -3.897 -15.738 207 1HD2 ASN 26 2HD2 ASN 26 -3.425 -5.181 -19.297 208 2HD2 ASN 26 1HD2 ASN 26 -2.675 -6.151 -18.108 209 H THR 27 H THR 27 -0.711 -5.197 -14.766 210 HA THR 27 HA THR 27 1.080 -6.128 -17.001 211 HB THR 27 HB THR 27 2.869 -4.767 -15.781 212 HG1 THR 27 HG1 THR 27 0.731 -3.949 -14.121 213 1HG2 THR 27 3HG2 THR 27 0.231 -3.216 -15.943 214 2HG2 THR 27 2HG2 THR 27 1.841 -2.543 -15.909 215 3HG2 THR 27 1HG2 THR 27 1.292 -3.458 -17.305 216 H LYS 28 H LYS 28 0.837 -6.186 -13.580 217 HA LYS 28 HA LYS 28 0.920 -7.779 -12.041 218 1HB LYS 28 2HB LYS 28 2.547 -9.446 -14.130 219 2HB LYS 28 1HB LYS 28 2.096 -10.042 -12.557 220 1HG LYS 28 2HG LYS 28 -0.160 -9.973 -12.875 221 2HG LYS 28 1HG LYS 28 -0.141 -8.843 -14.183 222 1HD LYS 28 2HD LYS 28 1.368 -11.242 -15.040 223 2HD LYS 28 1HD LYS 28 -0.086 -11.808 -14.266 224 1HE LYS 28 2HE LYS 28 -0.399 -11.588 -16.758 225 2HE LYS 28 1HE LYS 28 -1.517 -10.547 -15.899 226 1HZ LYS 28 3HZ LYS 28 0.945 -9.209 -16.110 227 2HZ LYS 28 2HZ LYS 28 0.583 -9.733 -17.664 228 3HZ LYS 28 1HZ LYS 28 -0.490 -8.730 -16.822 229 H SER 29 H SER 29 2.523 -5.650 -12.444 230 HA SER 29 HA SER 29 4.730 -6.263 -10.568 231 1HB SER 29 2HB SER 29 5.706 -5.931 -12.901 232 2HB SER 29 1HB SER 29 4.913 -4.349 -12.993 233 HG SER 29 HG SER 29 7.217 -5.001 -11.657 234 H CYS 30 H CYS 30 5.299 -3.276 -10.605 235 HA CYS 30 HA CYS 30 2.731 -2.286 -9.417 236 1HB CYS 30 2HB CYS 30 5.516 -1.945 -8.322 237 2HB CYS 30 1HB CYS 30 4.045 -1.307 -7.630 238 H ALA 31 H ALA 31 2.197 -0.189 -9.564 239 HA ALA 31 HA ALA 31 3.838 1.595 -11.299 240 1HB ALA 31 1HB ALA 31 0.800 1.170 -11.275 241 2HB ALA 31 3HB ALA 31 1.628 2.325 -12.311 242 3HB ALA 31 2HB ALA 31 1.895 0.602 -12.516 243 H ARG 32 H ARG 32 3.364 3.731 -11.021 244 HA ARG 32 HA ARG 32 3.291 4.629 -8.261 245 1HB ARG 32 2HB ARG 32 3.814 5.950 -10.878 246 2HB ARG 32 1HB ARG 32 4.107 6.773 -9.325 247 1HG ARG 32 2HG ARG 32 5.999 5.454 -8.881 248 2HG ARG 32 1HG ARG 32 5.413 4.093 -9.791 249 1HD ARG 32 2HD ARG 32 7.239 5.007 -11.091 250 2HD ARG 32 1HD ARG 32 5.777 5.462 -11.934 251 HE ARG 32 HE ARG 32 7.243 7.324 -10.030 252 1HH1 ARG 32 1HH2 ARG 32 4.592 7.853 -10.877 253 2HH1 ARG 32 2HH2 ARG 32 4.761 9.027 -12.144 254 1HH2 ARG 32 2HH1 ARG 32 8.106 8.070 -12.355 255 2HH2 ARG 32 1HH1 ARG 32 6.955 9.160 -13.049 256 H PHE 33 H PHE 33 1.549 5.516 -7.270 257 HA PHE 33 HA PHE 33 -0.312 7.218 -8.888 258 1HB PHE 33 2HB PHE 33 -2.166 5.824 -8.535 259 2HB PHE 33 1HB PHE 33 -0.919 4.604 -8.506 260 HD1 PHE 33 HD2 PHE 33 -0.088 3.737 -6.283 261 HD2 PHE 33 HD1 PHE 33 -3.407 6.371 -6.626 262 HE1 PHE 33 HE2 PHE 33 -0.805 3.127 -4.009 263 HE2 PHE 33 HE1 PHE 33 -4.130 5.782 -4.394 264 HZ PHE 33 HZ PHE 33 -2.848 4.186 -3.060 265 H TRP 34 H TRP 34 -2.015 8.234 -7.386 266 HA TRP 34 HA TRP 34 -0.736 9.350 -4.926 267 1HB TRP 34 2HB TRP 34 -2.727 10.572 -6.984 268 2HB TRP 34 1HB TRP 34 -2.135 11.490 -5.714 269 HD1 TRP 34 HD1 TRP 34 -1.731 10.686 -8.945 270 HE1 TRP 34 HE1 TRP 34 0.489 11.685 -9.914 271 HE3 TRP 34 HE3 TRP 34 0.461 11.878 -4.752 272 HZ2 TRP 34 HZ2 TRP 34 2.903 12.872 -8.921 273 HZ3 TRP 34 HZ3 TRP 34 2.707 12.980 -4.651 274 HH2 TRP 34 HH2 TRP 34 3.923 13.470 -6.746 275 H TYR 35 H TYR 35 -2.143 9.498 -3.028 276 HA TYR 35 HA TYR 35 -4.947 8.542 -3.507 277 1HB TYR 35 2HB TYR 35 -4.780 6.741 -1.928 278 2HB TYR 35 1HB TYR 35 -3.236 6.734 -2.745 279 HD1 TYR 35 HD2 TYR 35 -1.397 8.340 -1.627 280 HD2 TYR 35 HD1 TYR 35 -4.671 6.502 0.400 281 HE1 TYR 35 HE2 TYR 35 -0.205 8.485 0.503 282 HE2 TYR 35 HE1 TYR 35 -3.421 6.664 2.520 283 HH TYR 35 HH TYR 35 -1.016 8.633 2.973 284 H GLY 36 H GLY 36 -6.413 8.674 -1.680 285 1HA GLY 36 2HA GLY 36 -6.117 11.384 -0.372 286 2HA GLY 36 1HA GLY 36 -7.646 10.569 -0.670 287 H GLY 37 H GLY 37 -4.743 10.448 1.095 288 1HA GLY 37 2HA GLY 37 -4.227 8.918 2.994 289 2HA GLY 37 1HA GLY 37 -4.876 10.411 3.621 290 H CYS 38 H CYS 38 -7.361 10.292 3.558 291 HA CYS 38 HA CYS 38 -8.105 8.351 5.582 292 1HB CYS 38 2HB CYS 38 -9.904 10.215 4.021 293 2HB CYS 38 1HB CYS 38 -10.208 9.567 5.604 294 H GLY 39 H GLY 39 -7.493 6.541 3.963 295 1HA GLY 39 2HA GLY 39 -9.056 4.528 3.546 296 2HA GLY 39 1HA GLY 39 -9.968 5.582 2.509 297 H GLY 40 H GLY 40 -9.277 3.175 1.887 298 1HA GLY 40 2HA GLY 40 -8.780 2.656 -0.610 299 2HA GLY 40 1HA GLY 40 -7.152 3.237 -0.231 300 H ASN 41 H ASN 41 -7.169 0.750 -1.177 301 HA ASN 41 HA ASN 41 -7.331 -1.147 1.134 302 1HB ASN 41 2HB ASN 41 -7.360 -2.887 -0.614 303 2HB ASN 41 1HB ASN 41 -8.451 -1.596 -1.064 304 1HD2 ASN 41 2HD2 ASN 41 -6.864 -1.421 -4.135 305 2HD2 ASN 41 1HD2 ASN 41 -8.311 -1.414 -3.254 306 H GLU 42 H GLU 42 -5.778 -2.859 1.358 307 HA GLU 42 HA GLU 42 -3.329 -2.294 2.346 308 1HB GLU 42 2HB GLU 42 -3.781 -4.789 0.708 309 2HB GLU 42 1HB GLU 42 -2.809 -4.643 2.159 310 1HG GLU 42 2HG GLU 42 -4.713 -5.498 3.215 311 2HG GLU 42 1HG GLU 42 -5.373 -3.889 3.090 312 H ASN 43 H ASN 43 -3.861 -2.895 -0.984 313 HA ASN 43 HA ASN 43 -1.093 -2.950 -1.884 314 1HB ASN 43 2HB ASN 43 -2.999 -4.043 -2.896 315 2HB ASN 43 1HB ASN 43 -3.759 -2.534 -3.345 316 1HD2 ASN 43 2HD2 ASN 43 -1.967 -4.010 -6.229 317 2HD2 ASN 43 1HD2 ASN 43 -2.938 -4.751 -5.032 318 H LYS 44 H LYS 44 -0.480 -1.189 -0.689 319 HA LYS 44 HA LYS 44 -0.125 1.299 -2.248 320 1HB LYS 44 2HB LYS 44 -1.766 1.015 0.237 321 2HB LYS 44 1HB LYS 44 -0.733 2.419 0.267 322 1HG LYS 44 2HG LYS 44 -1.791 3.445 -1.470 323 2HG LYS 44 1HG LYS 44 -2.124 1.982 -2.356 324 1HD LYS 44 2HD LYS 44 -3.787 1.791 -0.032 325 2HD LYS 44 1HD LYS 44 -3.842 3.484 -0.455 326 1HE LYS 44 2HE LYS 44 -5.569 2.396 -1.684 327 2HE LYS 44 1HE LYS 44 -4.355 2.776 -2.886 328 1HZ LYS 44 2HZ LYS 44 -3.894 0.235 -1.535 329 2HZ LYS 44 1HZ LYS 44 -5.328 0.265 -2.388 330 3HZ LYS 44 3HZ LYS 44 -3.887 0.521 -3.181 331 H PHE 45 H PHE 45 2.073 0.732 -2.462 332 HA PHE 45 HA PHE 45 3.819 0.731 -0.048 333 1HB PHE 45 2HB PHE 45 4.347 -0.027 -2.949 334 2HB PHE 45 1HB PHE 45 5.402 -0.399 -1.611 335 HD1 PHE 45 HD2 PHE 45 4.565 -1.847 0.230 336 HD2 PHE 45 HD1 PHE 45 2.465 -1.470 -3.443 337 HE1 PHE 45 HE2 PHE 45 3.376 -3.942 0.709 338 HE2 PHE 45 HE1 PHE 45 1.275 -3.566 -2.977 339 HZ PHE 45 HZ PHE 45 1.709 -4.799 -0.915 340 H GLY 46 H GLY 46 5.963 1.581 -0.463 341 1HA GLY 46 2HA GLY 46 6.000 4.498 -1.173 342 2HA GLY 46 1HA GLY 46 7.218 3.624 -0.235 343 H SER 47 H SER 47 7.666 1.536 -2.144 344 HA SER 47 HA SER 47 8.779 2.970 -4.494 345 1HB SER 47 2HB SER 47 10.941 1.848 -4.278 346 2HB SER 47 1HB SER 47 10.566 2.521 -2.681 347 HG SER 47 HG SER 47 9.722 0.553 -2.056 348 H GLN 48 H GLN 48 9.322 1.708 -6.303 349 HA GLN 48 HA GLN 48 7.386 -0.187 -7.105 350 1HB GLN 48 2HB GLN 48 8.864 1.128 -8.649 351 2HB GLN 48 1HB GLN 48 10.255 0.229 -8.117 352 1HG GLN 48 2HG GLN 48 7.870 -1.144 -9.474 353 2HG GLN 48 1HG GLN 48 9.252 -0.572 -10.381 354 1HE2 GLN 48 2HE2 GLN 48 9.600 -4.187 -9.247 355 2HE2 GLN 48 1HE2 GLN 48 8.200 -3.427 -9.828 356 H LYS 49 H LYS 49 10.663 -0.801 -6.047 357 HA LYS 49 HA LYS 49 10.409 -3.611 -6.139 358 1HB LYS 49 2HB LYS 49 12.571 -2.046 -5.977 359 2HB LYS 49 1HB LYS 49 12.282 -2.051 -4.255 360 1HG LYS 49 2HG LYS 49 13.156 -4.110 -3.975 361 2HG LYS 49 1HG LYS 49 12.140 -4.824 -5.184 362 1HD LYS 49 2HD LYS 49 14.916 -3.558 -5.522 363 2HD LYS 49 1HD LYS 49 14.434 -5.188 -5.928 364 1HE LYS 49 2HE LYS 49 13.940 -2.656 -7.520 365 2HE LYS 49 1HE LYS 49 14.680 -4.163 -8.039 366 1HZ LYS 49 3HZ LYS 49 12.091 -4.740 -7.072 367 2HZ LYS 49 2HZ LYS 49 11.925 -3.499 -8.155 368 3HZ LYS 49 1HZ LYS 49 12.559 -4.958 -8.601 369 H GLU 50 H GLU 50 9.883 -1.452 -3.332 370 HA GLU 50 HA GLU 50 9.471 -3.344 -1.364 371 1HB GLU 50 2HB GLU 50 9.546 -1.052 -1.013 372 2HB GLU 50 1HB GLU 50 8.236 -0.759 -2.155 373 1HG GLU 50 2HG GLU 50 6.679 -1.944 -0.426 374 2HG GLU 50 1HG GLU 50 8.011 -1.811 0.702 375 H CYS 51 H CYS 51 7.053 -1.973 -3.450 376 HA CYS 51 HA CYS 51 4.827 -3.677 -2.895 377 1HB CYS 51 2HB CYS 51 4.737 -1.544 -4.173 378 2HB CYS 51 1HB CYS 51 5.665 -2.254 -5.448 379 H GLU 52 H GLU 52 7.162 -3.944 -5.554 380 HA GLU 52 HA GLU 52 6.330 -6.365 -6.707 381 1HB GLU 52 2HB GLU 52 8.000 -4.820 -7.630 382 2HB GLU 52 1HB GLU 52 8.999 -5.016 -6.221 383 1HG GLU 52 2HG GLU 52 9.151 -7.600 -7.023 384 2HG GLU 52 1HG GLU 52 8.697 -6.922 -8.576 385 H LYS 53 H LYS 53 8.565 -5.959 -4.016 386 HA LYS 53 HA LYS 53 8.798 -8.818 -3.772 387 1HB LYS 53 2HB LYS 53 10.255 -6.578 -2.877 388 2HB LYS 53 1HB LYS 53 9.450 -7.032 -1.411 389 1HG LYS 53 2HG LYS 53 11.687 -8.211 -1.584 390 2HG LYS 53 1HG LYS 53 10.337 -9.317 -1.482 391 1HD LYS 53 2HD LYS 53 11.995 -10.000 -3.262 392 2HD LYS 53 1HD LYS 53 10.424 -9.814 -3.929 393 1HE LYS 53 2HE LYS 53 11.339 -7.331 -4.473 394 2HE LYS 53 1HE LYS 53 12.897 -8.129 -4.261 395 1HZ LYS 53 3HZ LYS 53 11.190 -9.793 -5.773 396 2HZ LYS 53 2HZ LYS 53 11.242 -8.268 -6.518 397 3HZ LYS 53 1HZ LYS 53 12.612 -9.249 -6.223 398 H VAL 54 H VAL 54 6.139 -7.161 -2.980 399 HA VAL 54 HA VAL 54 5.413 -8.914 -0.680 400 HB VAL 54 HB VAL 54 4.320 -6.342 -1.912 401 1HG1 VAL 54 2HG1 VAL 54 3.284 -7.974 0.506 402 2HG1 VAL 54 1HG1 VAL 54 2.645 -6.414 0.026 403 3HG1 VAL 54 3HG1 VAL 54 2.424 -7.812 -1.013 404 1HG2 VAL 54 3HG2 VAL 54 5.503 -6.979 0.840 405 2HG2 VAL 54 2HG2 VAL 54 6.311 -6.118 -0.456 406 3HG2 VAL 54 1HG2 VAL 54 4.928 -5.399 0.329 407 H CYS 55 H CYS 55 4.492 -7.890 -3.859 408 HA CYS 55 HA CYS 55 2.539 -10.153 -4.164 409 1HB CYS 55 2HB CYS 55 3.016 -7.608 -5.714 410 2HB CYS 55 1HB CYS 55 1.886 -8.836 -6.244 411 H ALA 56 H ALA 56 5.391 -8.887 -5.752 412 HA ALA 56 HA ALA 56 5.491 -11.145 -7.686 413 1HB ALA 56 3HB ALA 56 5.785 -8.826 -8.506 414 2HB ALA 56 2HB ALA 56 7.166 -8.629 -7.445 415 3HB ALA 56 1HB ALA 56 7.258 -9.767 -8.757 416 HA PRO 57 HA PRO 57 8.518 -12.983 -4.638 417 1HB PRO 57 2HB PRO 57 8.136 -15.575 -5.444 418 2HB PRO 57 1HB PRO 57 7.038 -14.750 -4.329 419 1HG PRO 57 2HG PRO 57 6.804 -14.892 -7.396 420 2HG PRO 57 1HG PRO 57 5.605 -15.464 -6.226 421 1HD PRO 57 2HD PRO 57 5.292 -13.025 -7.204 422 2HD PRO 57 1HD PRO 57 5.171 -13.179 -5.441 423 H VAL 58 HN VAL 58 9.779 -11.629 -6.223 424 HA VAL 58 HA VAL 58 11.898 -13.248 -7.492 425 HB VAL 58 HB VAL 58 12.009 -11.391 -9.355 426 1HG1 VAL 58 3HG1 VAL 58 10.714 -13.509 -9.773 427 2HG1 VAL 58 2HG1 VAL 58 9.284 -12.761 -9.091 428 3HG1 VAL 58 1HG1 VAL 58 9.967 -12.140 -10.589 429 1HG2 VAL 58 2HG2 VAL 58 9.387 -10.472 -8.115 430 2HG2 VAL 58 1HG2 VAL 58 10.911 -9.599 -8.093 431 3HG2 VAL 58 3HG2 VAL 58 10.084 -9.868 -9.609 No H/Q in entry = 431 Start of MODEL 3 1 1H GLU 1 1H GLU 1 -5.155 -15.630 -2.807 2 2H GLU 1 3H GLU 1 -5.263 -16.775 -4.017 3 3H GLU 1 2H GLU 1 -4.529 -17.201 -2.605 4 HA GLU 1 HA GLU 1 -2.537 -16.604 -3.349 5 1HB GLU 1 2HB GLU 1 -4.136 -15.998 -5.890 6 2HB GLU 1 1HB GLU 1 -2.385 -16.063 -5.853 7 1HG GLU 1 2HG GLU 1 -3.663 -18.299 -6.517 8 2HG GLU 1 1HG GLU 1 -2.402 -18.473 -5.318 9 H THR 2 H THR 2 -1.866 -14.861 -2.085 10 HA THR 2 HA THR 2 -1.812 -12.583 -1.274 11 HB THR 2 HB THR 2 -0.172 -12.542 -3.904 12 HG1 THR 2 HG1 THR 2 1.244 -13.263 -1.963 13 1HG2 THR 2 1HG2 THR 2 0.419 -11.490 -1.066 14 2HG2 THR 2 3HG2 THR 2 1.404 -11.297 -2.503 15 3HG2 THR 2 2HG2 THR 2 -0.111 -10.439 -2.372 16 H ASP 3 H ASP 3 -3.973 -12.897 -2.437 17 HA ASP 3 HA ASP 3 -5.169 -11.651 -4.393 18 1HB ASP 3 2HB ASP 3 -5.991 -11.825 -1.417 19 2HB ASP 3 1HB ASP 3 -7.152 -11.835 -2.736 20 H ILE 4 H ILE 4 -3.891 -9.663 -2.020 21 HA ILE 4 HA ILE 4 -5.270 -7.274 -2.554 22 HB ILE 4 HB ILE 4 -3.466 -6.106 -1.517 23 1HG1 ILE 4 2HG1 ILE 4 -1.237 -7.564 -1.029 24 2HG1 ILE 4 1HG1 ILE 4 -1.674 -8.341 -2.534 25 1HG2 ILE 4 3HG2 ILE 4 -4.632 -7.565 0.018 26 2HG2 ILE 4 2HG2 ILE 4 -3.540 -8.904 -0.302 27 3HG2 ILE 4 1HG2 ILE 4 -2.964 -7.452 0.493 28 1HD1 ILE 4 1HD1 ILE 4 -1.304 -5.326 -2.124 29 2HD1 ILE 4 3HD1 ILE 4 -0.162 -6.381 -2.925 30 3HD1 ILE 4 2HD1 ILE 4 -1.716 -6.057 -3.662 31 H CYS 5 H CYS 5 -2.788 -8.894 -4.175 32 HA CYS 5 HA CYS 5 -1.860 -7.122 -6.169 33 1HB CYS 5 2HB CYS 5 -2.278 -10.094 -6.236 34 2HB CYS 5 1HB CYS 5 -1.198 -9.229 -7.303 35 H LYS 6 H LYS 6 -4.915 -8.431 -5.829 36 HA LYS 6 HA LYS 6 -5.668 -8.084 -8.710 37 1HB LYS 6 2HB LYS 6 -7.048 -9.538 -6.419 38 2HB LYS 6 1HB LYS 6 -7.704 -9.409 -8.031 39 1HG LYS 6 2HG LYS 6 -5.732 -10.620 -8.978 40 2HG LYS 6 1HG LYS 6 -5.031 -10.769 -7.378 41 1HD LYS 6 2HD LYS 6 -7.873 -11.768 -7.992 42 2HD LYS 6 1HD LYS 6 -6.513 -12.807 -8.301 43 1HE LYS 6 2HE LYS 6 -6.761 -11.537 -5.565 44 2HE LYS 6 1HE LYS 6 -7.852 -12.846 -5.956 45 1HZ LYS 6 2HZ LYS 6 -5.284 -13.643 -6.878 46 2HZ LYS 6 1HZ LYS 6 -5.102 -13.158 -5.269 47 3HZ LYS 6 3HZ LYS 6 -6.233 -14.260 -5.591 48 H LEU 7 H LEU 7 -5.459 -6.005 -6.405 49 HA LEU 7 HA LEU 7 -8.152 -5.002 -6.433 50 1HB LEU 7 2HB LEU 7 -5.617 -4.100 -5.027 51 2HB LEU 7 1HB LEU 7 -7.147 -3.316 -4.750 52 HG LEU 7 HG LEU 7 -6.557 -6.269 -4.221 53 1HD1 LEU 7 3HD1 LEU 7 -6.847 -3.865 -2.339 54 2HD1 LEU 7 2HD1 LEU 7 -6.601 -5.514 -1.809 55 3HD1 LEU 7 1HD1 LEU 7 -5.348 -4.683 -2.698 56 1HD2 LEU 7 3HD2 LEU 7 -8.925 -4.489 -3.430 57 2HD2 LEU 7 2HD2 LEU 7 -8.995 -5.760 -4.645 58 3HD2 LEU 7 1HD2 LEU 7 -8.710 -6.167 -2.967 59 HA PRO 8 HA PRO 8 -7.069 -1.235 -8.877 60 1HB PRO 8 2HB PRO 8 -8.769 0.557 -7.746 61 2HB PRO 8 1HB PRO 8 -9.405 -0.757 -8.748 62 1HG PRO 8 2HG PRO 8 -9.013 -0.776 -5.692 63 2HG PRO 8 1HG PRO 8 -10.540 -0.992 -6.557 64 1HD PRO 8 2HD PRO 8 -9.125 -3.163 -5.825 65 2HD PRO 8 1HD PRO 8 -9.821 -3.144 -7.463 66 H LYS 9 H LYS 9 -6.694 1.047 -8.127 67 HA LYS 9 HA LYS 9 -4.227 1.023 -6.549 68 1HB LYS 9 2HB LYS 9 -5.967 3.301 -7.654 69 2HB LYS 9 1HB LYS 9 -4.407 3.572 -6.918 70 1HG LYS 9 2HG LYS 9 -3.256 2.236 -8.587 71 2HG LYS 9 1HG LYS 9 -4.754 1.680 -9.298 72 1HD LYS 9 2HD LYS 9 -5.291 4.119 -9.928 73 2HD LYS 9 1HD LYS 9 -3.809 4.612 -9.159 74 1HE LYS 9 2HE LYS 9 -3.462 4.549 -11.579 75 2HE LYS 9 1HE LYS 9 -2.482 3.306 -10.813 76 1HZ LYS 9 2HZ LYS 9 -5.032 2.190 -11.300 77 2HZ LYS 9 1HZ LYS 9 -4.499 2.887 -12.762 78 3HZ LYS 9 3HZ LYS 9 -3.555 1.762 -11.958 79 H ASP 10 H ASP 10 -3.867 2.154 -4.505 80 HA ASP 10 HA ASP 10 -6.270 2.075 -2.750 81 1HB ASP 10 2HB ASP 10 -4.672 0.320 -2.586 82 2HB ASP 10 1HB ASP 10 -3.379 1.458 -2.277 83 H GLU 11 H GLU 11 -7.000 4.137 -2.328 84 HA GLU 11 HA GLU 11 -5.085 6.270 -1.389 85 1HB GLU 11 2HB GLU 11 -5.824 7.055 -3.550 86 2HB GLU 11 1HB GLU 11 -7.418 6.386 -3.416 87 1HG GLU 11 2HG GLU 11 -6.617 8.617 -1.547 88 2HG GLU 11 1HG GLU 11 -6.968 8.967 -3.221 89 H GLY 12 H GLY 12 -8.663 5.957 -1.064 90 1HA GLY 12 2HA GLY 12 -9.258 5.405 1.480 91 2HA GLY 12 1HA GLY 12 -8.393 6.875 1.786 92 H THR 13 H THR 13 -9.414 8.479 -0.077 93 HA THR 13 HA THR 13 -11.553 9.362 -1.014 94 HB THR 13 HB THR 13 -12.764 8.656 1.752 95 HG1 THR 13 HG1 THR 13 -12.672 6.979 0.326 96 1HG2 THR 13 1HG2 THR 13 -14.052 9.658 -0.845 97 2HG2 THR 13 3HG2 THR 13 -14.871 9.320 0.666 98 3HG2 THR 13 2HG2 THR 13 -13.842 10.735 0.529 99 H CYS 14 H CYS 14 -9.645 10.855 -0.643 100 HA CYS 14 HA CYS 14 -10.458 13.110 1.208 101 1HB CYS 14 2HB CYS 14 -7.731 12.032 0.605 102 2HB CYS 14 1HB CYS 14 -7.896 13.680 1.139 103 H ARG 15 H ARG 15 -8.156 13.055 -1.421 104 HA ARG 15 HA ARG 15 -8.632 14.312 -3.623 105 1HB ARG 15 2HB ARG 15 -10.472 15.651 -2.637 106 2HB ARG 15 1HB ARG 15 -9.352 16.486 -1.598 107 1HG ARG 15 2HG ARG 15 -9.099 16.568 -4.650 108 2HG ARG 15 1HG ARG 15 -10.227 17.631 -3.860 109 1HD ARG 15 2HD ARG 15 -7.184 17.655 -3.767 110 2HD ARG 15 1HD ARG 15 -8.269 18.989 -4.064 111 HE ARG 15 HE ARG 15 -7.714 17.780 -1.360 112 1HH1 ARG 15 2HH1 ARG 15 -10.279 18.772 -2.047 113 2HH1 ARG 15 1HH1 ARG 15 -10.355 20.295 -1.181 114 1HH2 ARG 15 1HH2 ARG 15 -6.905 19.892 -0.933 115 2HH2 ARG 15 2HH2 ARG 15 -8.114 21.039 -0.473 116 H ASP 16 H ASP 16 -6.952 15.173 -0.692 117 HA ASP 16 HA ASP 16 -4.695 16.469 -2.124 118 1HB ASP 16 2HB ASP 16 -5.413 16.105 0.837 119 2HB ASP 16 1HB ASP 16 -4.052 17.043 0.246 120 H PHE 17 H PHE 17 -3.762 14.711 -3.167 121 HA PHE 17 HA PHE 17 -2.823 12.394 -1.533 122 1HB PHE 17 2HB PHE 17 -3.158 12.595 -4.529 123 2HB PHE 17 1HB PHE 17 -2.912 11.095 -3.669 124 HD1 PHE 17 HD1 PHE 17 -4.712 11.149 -1.428 125 HD2 PHE 17 HD2 PHE 17 -5.271 12.680 -5.359 126 HE1 PHE 17 HE1 PHE 17 -7.116 10.884 -1.189 127 HE2 PHE 17 HE2 PHE 17 -7.703 12.411 -5.114 128 HZ PHE 17 HZ PHE 17 -8.623 11.492 -3.013 129 H ILE 18 H ILE 18 -0.936 11.345 -1.832 130 HA ILE 18 HA ILE 18 1.387 12.950 -2.908 131 HB ILE 18 HB ILE 18 1.294 12.550 -0.294 132 1HG1 ILE 18 2HG1 ILE 18 3.406 12.947 -1.922 133 2HG1 ILE 18 1HG1 ILE 18 3.546 12.750 -0.203 134 1HG2 ILE 18 1HG2 ILE 18 0.598 10.105 -0.334 135 2HG2 ILE 18 3HG2 ILE 18 2.110 9.705 -1.121 136 3HG2 ILE 18 2HG2 ILE 18 2.107 10.353 0.504 137 1HD1 ILE 18 2HD1 ILE 18 4.057 10.445 -2.188 138 2HD1 ILE 18 1HD1 ILE 18 5.270 11.415 -1.397 139 3HD1 ILE 18 3HD1 ILE 18 4.230 10.384 -0.456 140 H LEU 19 H LEU 19 3.216 11.373 -3.600 141 HA LEU 19 HA LEU 19 1.907 9.300 -5.258 142 1HB LEU 19 2HB LEU 19 4.586 10.654 -5.380 143 2HB LEU 19 1HB LEU 19 4.352 9.200 -6.289 144 HG LEU 19 HG LEU 19 2.801 11.861 -6.695 145 1HD1 LEU 19 2HD1 LEU 19 5.063 11.755 -7.700 146 2HD1 LEU 19 1HD1 LEU 19 4.603 10.281 -8.547 147 3HD1 LEU 19 3HD1 LEU 19 3.793 11.797 -8.908 148 1HD2 LEU 19 3HD2 LEU 19 2.394 9.228 -8.190 149 2HD2 LEU 19 2HD2 LEU 19 1.245 9.965 -7.088 150 3HD2 LEU 19 1HD2 LEU 19 1.656 10.776 -8.563 151 H LYS 20 H LYS 20 2.205 7.258 -5.310 152 HA LYS 20 HA LYS 20 4.403 5.906 -3.852 153 1HB LYS 20 2HB LYS 20 1.486 5.804 -3.096 154 2HB LYS 20 1HB LYS 20 2.368 4.304 -2.952 155 1HG LYS 20 2HG LYS 20 4.199 5.825 -1.723 156 2HG LYS 20 1HG LYS 20 2.860 6.932 -1.508 157 1HD LYS 20 2HD LYS 20 1.502 4.965 -0.564 158 2HD LYS 20 1HD LYS 20 2.927 3.969 -0.722 159 1HE LYS 20 2HE LYS 20 4.140 5.221 0.903 160 2HE LYS 20 1HE LYS 20 2.881 6.442 1.032 161 1HZ LYS 20 3HZ LYS 20 1.843 3.753 1.247 162 2HZ LYS 20 2HZ LYS 20 2.942 4.068 2.484 163 3HZ LYS 20 1HZ LYS 20 1.624 5.141 2.243 164 H TRP 21 H TRP 21 3.901 3.333 -3.994 165 HA TRP 21 HA TRP 21 3.513 2.782 -6.906 166 1HB TRP 21 2HB TRP 21 5.267 1.324 -4.860 167 2HB TRP 21 1HB TRP 21 5.024 0.764 -6.502 168 HD1 TRP 21 HD1 TRP 21 6.534 3.729 -4.522 169 HE1 TRP 21 HE1 TRP 21 8.191 4.811 -6.122 170 HE3 TRP 21 HE3 TRP 21 5.749 0.968 -8.645 171 HZ2 TRP 21 HZ2 TRP 21 9.195 4.510 -8.777 172 HZ3 TRP 21 HZ3 TRP 21 7.072 1.297 -10.704 173 HH2 TRP 21 HH2 TRP 21 8.808 3.060 -10.788 174 H TYR 22 H TYR 22 2.087 1.204 -7.484 175 HA TYR 22 HA TYR 22 0.888 -0.519 -5.315 176 1HB TYR 22 2HB TYR 22 -1.344 0.023 -5.891 177 2HB TYR 22 1HB TYR 22 -0.603 1.578 -6.133 178 HD1 TYR 22 HD1 TYR 22 0.314 2.032 -8.602 179 HD2 TYR 22 HD2 TYR 22 -2.569 -0.923 -7.611 180 HE1 TYR 22 HE1 TYR 22 -0.481 1.949 -10.958 181 HE2 TYR 22 HE2 TYR 22 -3.333 -0.991 -9.943 182 HH TYR 22 HH TYR 22 -2.119 -0.326 -12.266 183 H TYR 23 H TYR 23 -0.045 -2.415 -6.145 184 HA TYR 23 HA TYR 23 1.405 -3.503 -8.445 185 1HB TYR 23 2HB TYR 23 1.168 -4.664 -6.209 186 2HB TYR 23 1HB TYR 23 -0.559 -4.766 -6.488 187 HD1 TYR 23 HD1 TYR 23 -1.485 -6.081 -8.321 188 HD2 TYR 23 HD2 TYR 23 2.675 -6.107 -7.540 189 HE1 TYR 23 HE1 TYR 23 -1.244 -8.078 -9.748 190 HE2 TYR 23 HE2 TYR 23 2.909 -8.110 -8.974 191 HH TYR 23 HH TYR 23 1.940 -9.361 -10.443 192 H ASP 24 H ASP 24 0.592 -3.689 -10.323 193 HA ASP 24 HA ASP 24 -2.201 -2.997 -10.986 194 1HB ASP 24 2HB ASP 24 -0.440 -1.625 -11.832 195 2HB ASP 24 1HB ASP 24 0.344 -2.999 -12.586 196 HA PRO 25 HA PRO 25 -2.351 -7.669 -11.691 197 1HB PRO 25 2HB PRO 25 -5.141 -7.506 -12.065 198 2HB PRO 25 1HB PRO 25 -4.302 -7.901 -10.563 199 1HG PRO 25 2HG PRO 25 -5.238 -5.139 -11.509 200 2HG PRO 25 1HG PRO 25 -5.465 -5.885 -9.913 201 1HD PRO 25 2HD PRO 25 -3.563 -4.126 -10.177 202 2HD PRO 25 1HD PRO 25 -3.160 -5.631 -9.352 203 H ASN 26 H ASN 26 -2.750 -5.087 -13.829 204 HA ASN 26 HA ASN 26 -3.589 -6.734 -16.166 205 1HB ASN 26 2HB ASN 26 -2.622 -3.815 -16.190 206 2HB ASN 26 1HB ASN 26 -3.670 -4.612 -17.346 207 1HD2 ASN 26 2HD2 ASN 26 -5.285 -2.945 -14.172 208 2HD2 ASN 26 1HD2 ASN 26 -3.618 -2.784 -14.492 209 H THR 27 H THR 27 -0.793 -5.111 -14.968 210 HA THR 27 HA THR 27 1.024 -6.178 -17.108 211 HB THR 27 HB THR 27 2.805 -4.802 -15.878 212 HG1 THR 27 HG1 THR 27 0.637 -3.889 -14.306 213 1HG2 THR 27 3HG2 THR 27 0.199 -3.209 -16.153 214 2HG2 THR 27 2HG2 THR 27 1.823 -2.562 -16.104 215 3HG2 THR 27 1HG2 THR 27 1.289 -3.512 -17.484 216 H LYS 28 H LYS 28 0.425 -6.207 -13.746 217 HA LYS 28 HA LYS 28 0.474 -7.685 -12.116 218 1HB LYS 28 2HB LYS 28 1.908 -9.516 -14.158 219 2HB LYS 28 1HB LYS 28 1.362 -10.054 -12.595 220 1HG LYS 28 2HG LYS 28 -0.895 -9.755 -12.927 221 2HG LYS 28 1HG LYS 28 -0.744 -8.597 -14.185 222 1HD LYS 28 2HD LYS 28 -0.131 -11.624 -14.641 223 2HD LYS 28 1HD LYS 28 -1.691 -10.919 -14.928 224 1HE LYS 28 2HE LYS 28 -0.652 -10.967 -17.076 225 2HE LYS 28 1HE LYS 28 -0.590 -9.287 -16.573 226 1HZ LYS 28 2HZ LYS 28 1.604 -10.619 -15.447 227 2HZ LYS 28 1HZ LYS 28 1.638 -10.965 -17.113 228 3HZ LYS 28 3HZ LYS 28 1.637 -9.367 -16.533 229 H SER 29 H SER 29 2.260 -5.719 -12.495 230 HA SER 29 HA SER 29 4.400 -6.524 -10.650 231 1HB SER 29 2HB SER 29 5.391 -6.344 -12.988 232 2HB SER 29 1HB SER 29 4.725 -4.703 -13.130 233 HG SER 29 HG SER 29 7.011 -5.436 -11.854 234 H CYS 30 H CYS 30 5.281 -3.631 -10.649 235 HA CYS 30 HA CYS 30 2.791 -2.326 -9.637 236 1HB CYS 30 2HB CYS 30 5.527 -2.295 -8.323 237 2HB CYS 30 1HB CYS 30 4.072 -1.539 -7.740 238 H ALA 31 H ALA 31 2.542 -0.183 -9.791 239 HA ALA 31 HA ALA 31 4.529 1.402 -11.334 240 1HB ALA 31 1HB ALA 31 1.516 1.151 -11.837 241 2HB ALA 31 3HB ALA 31 2.571 2.236 -12.730 242 3HB ALA 31 2HB ALA 31 2.775 0.498 -12.857 243 H ARG 32 H ARG 32 3.877 3.645 -11.325 244 HA ARG 32 HA ARG 32 3.596 4.623 -8.606 245 1HB ARG 32 2HB ARG 32 4.317 5.866 -11.208 246 2HB ARG 32 1HB ARG 32 4.446 6.730 -9.653 247 1HG ARG 32 2HG ARG 32 6.189 5.244 -8.902 248 2HG ARG 32 1HG ARG 32 5.855 4.062 -10.134 249 1HD ARG 32 2HD ARG 32 7.854 5.206 -10.846 250 2HD ARG 32 1HD ARG 32 6.560 5.766 -11.889 251 HE ARG 32 HE ARG 32 7.425 7.301 -9.417 252 1HH1 ARG 32 1HH2 ARG 32 5.089 8.025 -10.859 253 2HH1 ARG 32 2HH2 ARG 32 5.580 9.356 -11.851 254 1HH2 ARG 32 2HH1 ARG 32 8.865 8.335 -11.333 255 2HH2 ARG 32 1HH1 ARG 32 7.926 9.546 -12.138 256 H PHE 33 H PHE 33 1.938 5.728 -7.757 257 HA PHE 33 HA PHE 33 0.093 7.256 -9.510 258 1HB PHE 33 2HB PHE 33 -1.867 5.984 -9.070 259 2HB PHE 33 1HB PHE 33 -0.639 4.745 -9.262 260 HD1 PHE 33 HD1 PHE 33 0.604 4.039 -7.001 261 HD2 PHE 33 HD2 PHE 33 -3.222 5.903 -7.174 262 HE1 PHE 33 HE1 PHE 33 0.059 3.175 -4.764 263 HE2 PHE 33 HE2 PHE 33 -3.749 5.040 -4.955 264 HZ PHE 33 HZ PHE 33 -2.125 3.670 -3.750 265 H TRP 34 H TRP 34 -1.767 8.148 -8.256 266 HA TRP 34 HA TRP 34 -0.687 9.725 -6.036 267 1HB TRP 34 2HB TRP 34 -3.239 9.894 -7.804 268 2HB TRP 34 1HB TRP 34 -3.137 10.919 -6.444 269 HD1 TRP 34 HD1 TRP 34 -2.865 11.119 -9.703 270 HE1 TRP 34 HE1 TRP 34 -1.247 13.013 -10.438 271 HE3 TRP 34 HE3 TRP 34 -0.276 11.876 -5.436 272 HZ2 TRP 34 HZ2 TRP 34 0.779 14.608 -9.409 273 HZ3 TRP 34 HZ3 TRP 34 1.462 13.596 -5.308 274 HH2 TRP 34 HH2 TRP 34 2.010 14.969 -7.284 275 H TYR 35 H TYR 35 -1.056 8.968 -3.919 276 HA TYR 35 HA TYR 35 -3.602 7.502 -3.332 277 1HB TYR 35 2HB TYR 35 -2.395 5.672 -2.819 278 2HB TYR 35 1HB TYR 35 -0.982 6.426 -3.492 279 HD1 TYR 35 HD2 TYR 35 0.527 7.745 -1.968 280 HD2 TYR 35 HD1 TYR 35 -2.633 5.333 -0.482 281 HE1 TYR 35 HE2 TYR 35 1.520 7.809 0.290 282 HE2 TYR 35 HE1 TYR 35 -1.612 5.395 1.766 283 HH TYR 35 HH TYR 35 0.225 7.497 2.699 284 H GLY 36 H GLY 36 -1.014 9.251 -1.716 285 1HA GLY 36 2HA GLY 36 -1.227 10.889 0.148 286 2HA GLY 36 1HA GLY 36 -2.969 10.653 0.057 287 H GLY 37 H GLY 37 -3.797 8.704 0.845 288 1HA GLY 37 2HA GLY 37 -3.415 6.610 2.253 289 2HA GLY 37 1HA GLY 37 -2.297 7.561 3.220 290 H CYS 38 H CYS 38 -5.662 7.764 2.174 291 HA CYS 38 HA CYS 38 -6.415 8.756 4.908 292 1HB CYS 38 2HB CYS 38 -7.776 8.767 2.164 293 2HB CYS 38 1HB CYS 38 -8.535 9.389 3.608 294 H GLY 39 H GLY 39 -5.566 6.449 4.949 295 1HA GLY 39 2HA GLY 39 -6.257 4.431 6.198 296 2HA GLY 39 1HA GLY 39 -7.859 4.555 5.445 297 H GLY 40 H GLY 40 -8.184 3.293 3.766 298 1HA GLY 40 2HA GLY 40 -7.603 2.308 1.576 299 2HA GLY 40 1HA GLY 40 -5.934 2.570 1.986 300 H ASN 41 H ASN 41 -6.028 0.416 0.898 301 HA ASN 41 HA ASN 41 -6.394 -1.851 2.834 302 1HB ASN 41 2HB ASN 41 -6.674 -3.228 0.781 303 2HB ASN 41 1HB ASN 41 -7.824 -1.915 0.759 304 1HD2 ASN 41 2HD2 ASN 41 -6.479 -0.631 -2.206 305 2HD2 ASN 41 1HD2 ASN 41 -7.716 -0.470 -1.038 306 H GLU 42 H GLU 42 -4.716 -3.328 0.689 307 HA GLU 42 HA GLU 42 -2.061 -2.671 1.889 308 1HB GLU 42 2HB GLU 42 -2.808 -5.223 0.466 309 2HB GLU 42 1HB GLU 42 -1.549 -4.996 1.656 310 1HG GLU 42 2HG GLU 42 -3.465 -6.246 2.713 311 2HG GLU 42 1HG GLU 42 -3.430 -4.649 3.426 312 H ASN 43 H ASN 43 -3.259 -1.407 -0.702 313 HA ASN 43 HA ASN 43 -0.974 -2.194 -2.487 314 1HB ASN 43 2HB ASN 43 -3.299 -2.913 -2.853 315 2HB ASN 43 1HB ASN 43 -3.736 -1.281 -3.259 316 1HD2 ASN 43 2HD2 ASN 43 -2.865 -2.452 -6.542 317 2HD2 ASN 43 1HD2 ASN 43 -4.176 -1.927 -5.591 318 H LYS 44 H LYS 44 -0.364 -0.265 -0.902 319 HA LYS 44 HA LYS 44 0.399 1.956 -2.717 320 1HB LYS 44 2HB LYS 44 -0.253 3.632 -0.640 321 2HB LYS 44 1HB LYS 44 -1.340 3.244 -1.925 322 1HG LYS 44 2HG LYS 44 -2.810 2.873 -0.326 323 2HG LYS 44 1HG LYS 44 -2.083 1.296 -0.323 324 1HD LYS 44 2HD LYS 44 -0.991 1.582 1.728 325 2HD LYS 44 1HD LYS 44 -0.919 3.328 1.581 326 1HE LYS 44 2HE LYS 44 -2.654 2.768 3.276 327 2HE LYS 44 1HE LYS 44 -3.447 3.411 1.845 328 1HZ LYS 44 3HZ LYS 44 -3.113 0.627 1.440 329 2HZ LYS 44 2HZ LYS 44 -3.843 0.765 2.906 330 3HZ LYS 44 1HZ LYS 44 -4.465 1.455 1.490 331 H PHE 45 H PHE 45 2.392 1.273 -2.656 332 HA PHE 45 HA PHE 45 4.081 1.215 -0.224 333 1HB PHE 45 2HB PHE 45 4.598 0.176 -3.078 334 2HB PHE 45 1HB PHE 45 5.526 -0.126 -1.619 335 HD1 PHE 45 HD1 PHE 45 4.363 -1.280 0.334 336 HD2 PHE 45 HD2 PHE 45 2.650 -1.104 -3.559 337 HE1 PHE 45 HE1 PHE 45 2.870 -3.144 0.890 338 HE2 PHE 45 HE2 PHE 45 1.171 -2.971 -3.008 339 HZ PHE 45 HZ PHE 45 1.283 -3.995 -0.769 340 H GLY 46 H GLY 46 6.338 1.802 -0.405 341 1HA GLY 46 2HA GLY 46 6.646 4.637 -1.227 342 2HA GLY 46 1HA GLY 46 7.837 3.659 -0.366 343 H SER 47 H SER 47 7.960 1.535 -2.196 344 HA SER 47 HA SER 47 8.984 2.803 -4.690 345 1HB SER 47 2HB SER 47 11.198 2.346 -4.226 346 2HB SER 47 1HB SER 47 10.704 1.937 -2.590 347 HG SER 47 HG SER 47 10.631 -0.022 -3.016 348 H GLN 48 H GLN 48 9.474 1.241 -6.338 349 HA GLN 48 HA GLN 48 7.256 -0.477 -6.865 350 1HB GLN 48 2HB GLN 48 8.937 0.521 -8.553 351 2HB GLN 48 1HB GLN 48 10.076 -0.704 -8.043 352 1HG GLN 48 2HG GLN 48 8.535 -2.527 -8.770 353 2HG GLN 48 1HG GLN 48 7.291 -1.357 -9.175 354 1HE2 GLN 48 2HE2 GLN 48 8.555 -1.117 -12.379 355 2HE2 GLN 48 1HE2 GLN 48 7.171 -1.068 -11.373 356 H LYS 49 H LYS 49 10.287 -1.088 -5.255 357 HA LYS 49 HA LYS 49 10.140 -3.918 -5.235 358 1HB LYS 49 2HB LYS 49 11.514 -1.915 -3.353 359 2HB LYS 49 1HB LYS 49 11.776 -3.647 -3.274 360 1HG LYS 49 2HG LYS 49 12.563 -3.696 -5.604 361 2HG LYS 49 1HG LYS 49 12.279 -1.968 -5.774 362 1HD LYS 49 2HD LYS 49 13.898 -1.495 -3.933 363 2HD LYS 49 1HD LYS 49 14.146 -3.220 -3.688 364 1HE LYS 49 2HE LYS 49 15.083 -3.445 -5.958 365 2HE LYS 49 1HE LYS 49 14.802 -1.730 -6.265 366 1HZ LYS 49 3HZ LYS 49 16.127 -1.969 -3.775 367 2HZ LYS 49 2HZ LYS 49 17.011 -2.893 -4.882 368 3HZ LYS 49 1HZ LYS 49 16.730 -1.249 -5.176 369 H GLU 50 H GLU 50 9.176 -1.650 -2.552 370 HA GLU 50 HA GLU 50 8.227 -3.546 -0.804 371 1HB GLU 50 2HB GLU 50 7.290 -0.976 -1.769 372 2HB GLU 50 1HB GLU 50 6.388 -1.775 -0.456 373 1HG GLU 50 2HG GLU 50 7.917 -0.896 0.998 374 2HG GLU 50 1HG GLU 50 9.186 -1.831 0.214 375 H CYS 51 H CYS 51 6.406 -2.108 -3.377 376 HA CYS 51 HA CYS 51 4.079 -3.761 -3.166 377 1HB CYS 51 2HB CYS 51 4.423 -1.630 -4.499 378 2HB CYS 51 1HB CYS 51 5.361 -2.559 -5.626 379 H GLU 52 H GLU 52 6.869 -4.251 -5.382 380 HA GLU 52 HA GLU 52 6.126 -6.752 -6.427 381 1HB GLU 52 2HB GLU 52 7.890 -5.392 -7.383 382 2HB GLU 52 1HB GLU 52 8.708 -5.264 -5.855 383 1HG GLU 52 2HG GLU 52 8.546 -8.079 -6.926 384 2HG GLU 52 1HG GLU 52 9.540 -6.978 -7.850 385 H LYS 53 H LYS 53 8.047 -6.199 -3.569 386 HA LYS 53 HA LYS 53 8.125 -9.058 -2.987 387 1HB LYS 53 2HB LYS 53 9.738 -6.900 -2.350 388 2HB LYS 53 1HB LYS 53 8.776 -6.912 -0.904 389 1HG LYS 53 2HG LYS 53 10.554 -8.389 -0.280 390 2HG LYS 53 1HG LYS 53 9.348 -9.531 -0.829 391 1HD LYS 53 2HD LYS 53 11.686 -8.454 -2.521 392 2HD LYS 53 1HD LYS 53 11.585 -10.078 -1.852 393 1HE LYS 53 2HE LYS 53 9.603 -10.507 -3.331 394 2HE LYS 53 1HE LYS 53 9.841 -8.910 -4.038 395 1HZ LYS 53 2HZ LYS 53 12.330 -10.307 -3.983 396 2HZ LYS 53 1HZ LYS 53 11.169 -11.258 -4.626 397 3HZ LYS 53 3HZ LYS 53 11.427 -9.745 -5.310 398 H VAL 54 H VAL 54 6.070 -6.541 -1.816 399 HA VAL 54 HA VAL 54 4.884 -8.135 0.313 400 HB VAL 54 HB VAL 54 4.179 -5.565 -1.160 401 1HG1 VAL 54 3HG1 VAL 54 2.929 -6.740 1.389 402 2HG1 VAL 54 2HG1 VAL 54 2.562 -5.151 0.755 403 3HG1 VAL 54 1HG1 VAL 54 2.103 -6.570 -0.156 404 1HG2 VAL 54 1HG2 VAL 54 6.213 -5.454 0.316 405 2HG2 VAL 54 3HG2 VAL 54 4.936 -4.458 0.962 406 3HG2 VAL 54 2HG2 VAL 54 5.277 -6.027 1.675 407 H CYS 55 H CYS 55 4.298 -7.583 -3.059 408 HA CYS 55 HA CYS 55 1.903 -9.366 -3.053 409 1HB CYS 55 2HB CYS 55 1.347 -7.324 -4.061 410 2HB CYS 55 1HB CYS 55 2.857 -7.216 -4.933 411 H ALA 56 H ALA 56 4.758 -8.876 -5.143 412 HA ALA 56 HA ALA 56 4.272 -11.399 -6.515 413 1HB ALA 56 3HB ALA 56 5.252 -9.447 -7.668 414 2HB ALA 56 2HB ALA 56 6.687 -9.552 -6.662 415 3HB ALA 56 1HB ALA 56 6.337 -10.836 -7.772 416 HA PRO 57 HA PRO 57 6.443 -13.637 -3.198 417 1HB PRO 57 2HB PRO 57 5.626 -16.148 -3.789 418 2HB PRO 57 1HB PRO 57 4.479 -14.928 -3.208 419 1HG PRO 57 2HG PRO 57 5.158 -15.573 -6.144 420 2HG PRO 57 1HG PRO 57 3.559 -15.705 -5.396 421 1HD PRO 57 2HD PRO 57 4.207 -13.426 -6.680 422 2HD PRO 57 1HD PRO 57 3.391 -13.292 -5.109 423 H VAL 58 HN VAL 58 8.338 -12.784 -4.579 424 HA VAL 58 HA VAL 58 10.193 -15.033 -5.120 425 HB VAL 58 HB VAL 58 9.023 -14.117 -7.302 426 1HG1 VAL 58 1HG1 VAL 58 8.937 -11.737 -6.618 427 2HG1 VAL 58 3HG1 VAL 58 10.684 -11.651 -6.689 428 3HG1 VAL 58 2HG1 VAL 58 9.768 -11.917 -8.156 429 1HG2 VAL 58 3HG2 VAL 58 11.220 -15.265 -7.461 430 2HG2 VAL 58 2HG2 VAL 58 11.109 -13.966 -8.642 431 3HG2 VAL 58 1HG2 VAL 58 12.042 -13.745 -7.173 No H/Q in entry = 431 Start of MODEL 4 1 1H GLU 1 1H GLU 1 -7.848 -14.410 -3.782 2 2H GLU 1 3H GLU 1 -9.391 -15.065 -4.178 3 3H GLU 1 2H GLU 1 -8.936 -13.568 -4.739 4 HA GLU 1 HA GLU 1 -9.764 -12.569 -2.925 5 1HB GLU 1 2HB GLU 1 -10.412 -15.567 -2.309 6 2HB GLU 1 1HB GLU 1 -11.213 -14.244 -1.493 7 1HG GLU 1 2HG GLU 1 -11.823 -15.306 -4.221 8 2HG GLU 1 1HG GLU 1 -12.742 -14.163 -3.298 9 H THR 2 H THR 2 -9.116 -11.956 -0.643 10 HA THR 2 HA THR 2 -7.291 -11.499 0.784 11 HB THR 2 HB THR 2 -6.401 -13.716 1.969 12 HG1 THR 2 HG1 THR 2 -6.896 -14.874 -0.097 13 1HG2 THR 2 3HG2 THR 2 -9.418 -13.706 1.491 14 2HG2 THR 2 2HG2 THR 2 -8.562 -14.433 2.833 15 3HG2 THR 2 1HG2 THR 2 -8.654 -12.681 2.709 16 H ASP 3 H ASP 3 -6.917 -11.445 -1.693 17 HA ASP 3 HA ASP 3 -4.097 -12.076 -2.317 18 1HB ASP 3 2HB ASP 3 -5.037 -12.091 -4.718 19 2HB ASP 3 1HB ASP 3 -5.592 -13.392 -3.695 20 H ILE 4 H ILE 4 -3.770 -9.988 -1.125 21 HA ILE 4 HA ILE 4 -4.545 -7.428 -1.750 22 HB ILE 4 HB ILE 4 -2.439 -6.624 -0.954 23 1HG1 ILE 4 2HG1 ILE 4 -0.659 -8.617 -0.395 24 2HG1 ILE 4 1HG1 ILE 4 -1.336 -9.279 -1.864 25 1HG2 ILE 4 2HG2 ILE 4 -3.888 -7.632 0.743 26 2HG2 ILE 4 1HG2 ILE 4 -3.163 -9.214 0.501 27 3HG2 ILE 4 3HG2 ILE 4 -2.215 -7.906 1.173 28 1HD1 ILE 4 1HD1 ILE 4 -0.836 -7.072 -3.044 29 2HD1 ILE 4 3HD1 ILE 4 -0.169 -6.464 -1.544 30 3HD1 ILE 4 2HD1 ILE 4 0.608 -7.801 -2.373 31 H CYS 5 H CYS 5 -2.592 -9.384 -3.618 32 HA CYS 5 HA CYS 5 -1.342 -7.733 -5.531 33 1HB CYS 5 2HB CYS 5 -2.474 -10.531 -5.758 34 2HB CYS 5 1HB CYS 5 -1.489 -9.804 -6.994 35 H LYS 6 H LYS 6 -4.649 -8.512 -5.286 36 HA LYS 6 HA LYS 6 -5.257 -7.373 -7.966 37 1HB LYS 6 2HB LYS 6 -6.029 -9.525 -8.101 38 2HB LYS 6 1HB LYS 6 -6.009 -9.756 -6.376 39 1HG LYS 6 2HG LYS 6 -8.075 -8.753 -6.053 40 2HG LYS 6 1HG LYS 6 -8.173 -8.216 -7.730 41 1HD LYS 6 2HD LYS 6 -8.405 -10.459 -8.620 42 2HD LYS 6 1HD LYS 6 -7.711 -11.209 -7.217 43 1HE LYS 6 2HE LYS 6 -10.527 -10.017 -7.296 44 2HE LYS 6 1HE LYS 6 -10.132 -11.720 -7.456 45 1HZ LYS 6 2HZ LYS 6 -8.688 -10.846 -5.229 46 2HZ LYS 6 1HZ LYS 6 -10.302 -10.307 -5.011 47 3HZ LYS 6 3HZ LYS 6 -9.989 -11.873 -5.343 48 H LEU 7 H LEU 7 -4.927 -5.918 -5.293 49 HA LEU 7 HA LEU 7 -7.569 -4.809 -5.010 50 1HB LEU 7 2HB LEU 7 -5.020 -4.172 -3.529 51 2HB LEU 7 1HB LEU 7 -6.607 -3.567 -3.111 52 HG LEU 7 HG LEU 7 -5.911 -6.508 -3.134 53 1HD1 LEU 7 2HD1 LEU 7 -6.198 -4.441 -0.869 54 2HD1 LEU 7 1HD1 LEU 7 -5.915 -6.152 -0.611 55 3HD1 LEU 7 3HD1 LEU 7 -4.687 -5.156 -1.384 56 1HD2 LEU 7 1HD2 LEU 7 -8.282 -4.937 -1.993 57 2HD2 LEU 7 3HD2 LEU 7 -8.347 -5.968 -3.416 58 3HD2 LEU 7 2HD2 LEU 7 -8.039 -6.669 -1.844 59 HA PRO 8 HA PRO 8 -6.899 -1.698 -8.052 60 1HB PRO 8 2HB PRO 8 -8.941 0.065 -7.295 61 2HB PRO 8 1HB PRO 8 -9.206 -1.465 -8.148 62 1HG PRO 8 2HG PRO 8 -9.184 -0.905 -5.143 63 2HG PRO 8 1HG PRO 8 -10.482 -1.632 -6.070 64 1HD PRO 8 2HD PRO 8 -8.789 -3.176 -4.755 65 2HD PRO 8 1HD PRO 8 -9.142 -3.658 -6.438 66 H LYS 9 H LYS 9 -7.161 0.662 -8.329 67 HA LYS 9 HA LYS 9 -4.936 2.042 -6.882 68 1HB LYS 9 2HB LYS 9 -6.219 2.288 -9.661 69 2HB LYS 9 1HB LYS 9 -5.259 3.609 -9.044 70 1HG LYS 9 2HG LYS 9 -3.264 2.339 -8.913 71 2HG LYS 9 1HG LYS 9 -4.101 0.824 -8.924 72 1HD LYS 9 2HD LYS 9 -4.123 2.670 -11.376 73 2HD LYS 9 1HD LYS 9 -2.813 1.547 -11.120 74 1HE LYS 9 2HE LYS 9 -4.959 -0.140 -10.780 75 2HE LYS 9 1HE LYS 9 -5.659 1.024 -11.889 76 1HZ LYS 9 3HZ LYS 9 -2.988 0.305 -12.794 77 2HZ LYS 9 2HZ LYS 9 -3.758 -1.017 -12.400 78 3HZ LYS 9 1HZ LYS 9 -4.425 -0.051 -13.584 79 H ASP 10 H ASP 10 -6.803 2.146 -5.156 80 HA ASP 10 HA ASP 10 -8.547 4.473 -5.615 81 1HB ASP 10 2HB ASP 10 -8.649 3.053 -2.979 82 2HB ASP 10 1HB ASP 10 -9.956 3.528 -4.041 83 H GLU 11 H GLU 11 -8.410 6.434 -4.542 84 HA GLU 11 HA GLU 11 -5.941 7.176 -3.261 85 1HB GLU 11 2HB GLU 11 -7.251 9.550 -3.267 86 2HB GLU 11 1HB GLU 11 -7.357 8.794 -4.827 87 1HG GLU 11 2HG GLU 11 -9.629 7.754 -4.092 88 2HG GLU 11 1HG GLU 11 -9.488 8.709 -2.627 89 H GLY 12 H GLY 12 -9.174 7.174 -1.987 90 1HA GLY 12 2HA GLY 12 -9.578 6.150 0.305 91 2HA GLY 12 1HA GLY 12 -8.178 7.090 0.856 92 H THR 13 H THR 13 -10.323 7.644 2.326 93 HA THR 13 HA THR 13 -11.897 9.857 1.052 94 HB THR 13 HB THR 13 -12.151 8.846 3.956 95 HG1 THR 13 HG1 THR 13 -12.808 7.844 1.438 96 1HG2 THR 13 3HG2 THR 13 -14.155 9.926 1.890 97 2HG2 THR 13 2HG2 THR 13 -14.466 9.558 3.573 98 3HG2 THR 13 1HG2 THR 13 -13.469 10.941 3.155 99 H CYS 14 H CYS 14 -9.315 10.300 1.194 100 HA CYS 14 HA CYS 14 -8.948 12.615 3.054 101 1HB CYS 14 2HB CYS 14 -6.406 11.632 2.454 102 2HB CYS 14 1HB CYS 14 -7.279 11.352 3.919 103 H ARG 15 H ARG 15 -7.492 14.303 2.117 104 HA ARG 15 HA ARG 15 -7.363 14.277 -0.902 105 1HB ARG 15 2HB ARG 15 -9.149 15.906 0.797 106 2HB ARG 15 1HB ARG 15 -8.100 16.953 -0.124 107 1HG ARG 15 2HG ARG 15 -9.940 16.655 -1.600 108 2HG ARG 15 1HG ARG 15 -8.761 15.535 -2.212 109 1HD ARG 15 2HD ARG 15 -10.048 13.786 -0.603 110 2HD ARG 15 1HD ARG 15 -11.325 14.956 -0.740 111 HE ARG 15 HE ARG 15 -11.091 14.752 -3.287 112 1HH1 ARG 15 2HH1 ARG 15 -9.279 12.343 -1.684 113 2HH1 ARG 15 1HH1 ARG 15 -9.681 11.241 -2.931 114 1HH2 ARG 15 1HH2 ARG 15 -11.790 13.159 -4.587 115 2HH2 ARG 15 2HH2 ARG 15 -10.955 11.663 -4.441 116 H ASP 16 H ASP 16 -5.401 13.816 0.849 117 HA ASP 16 HA ASP 16 -3.439 16.034 0.631 118 1HB ASP 16 2HB ASP 16 -2.586 14.495 2.712 119 2HB ASP 16 1HB ASP 16 -3.917 15.620 2.950 120 H PHE 17 H PHE 17 -4.128 14.264 -1.367 121 HA PHE 17 HA PHE 17 -2.987 12.086 -2.234 122 1HB PHE 17 2HB PHE 17 -2.653 14.626 -3.796 123 2HB PHE 17 1HB PHE 17 -2.768 13.024 -4.476 124 HD1 PHE 17 HD2 PHE 17 -4.913 11.665 -4.040 125 HD2 PHE 17 HD1 PHE 17 -4.594 15.835 -3.307 126 HE1 PHE 17 HE2 PHE 17 -7.352 11.852 -4.104 127 HE2 PHE 17 HE1 PHE 17 -7.030 16.044 -3.365 128 HZ PHE 17 HZ PHE 17 -8.416 14.033 -3.768 129 H ILE 18 H ILE 18 -1.266 11.176 -1.642 130 HA ILE 18 HA ILE 18 1.406 12.365 -2.396 131 HB ILE 18 HB ILE 18 1.014 11.685 0.152 132 1HG1 ILE 18 2HG1 ILE 18 3.328 10.277 -1.253 133 2HG1 ILE 18 1HG1 ILE 18 3.279 12.001 -0.894 134 1HG2 ILE 18 2HG2 ILE 18 -0.154 9.462 -0.369 135 2HG2 ILE 18 1HG2 ILE 18 1.360 8.851 -1.021 136 3HG2 ILE 18 3HG2 ILE 18 1.227 9.249 0.680 137 1HD1 ILE 18 2HD1 ILE 18 3.019 11.504 1.516 138 2HD1 ILE 18 1HD1 ILE 18 3.113 9.784 1.189 139 3HD1 ILE 18 3HD1 ILE 18 4.497 10.807 0.872 140 H LEU 19 H LEU 19 2.830 11.087 -3.650 141 HA LEU 19 HA LEU 19 1.414 9.140 -5.354 142 1HB LEU 19 2HB LEU 19 4.110 10.482 -5.471 143 2HB LEU 19 1HB LEU 19 3.878 9.060 -6.437 144 HG LEU 19 HG LEU 19 2.298 11.712 -6.701 145 1HD1 LEU 19 3HD1 LEU 19 4.544 11.660 -7.782 146 2HD1 LEU 19 2HD1 LEU 19 4.062 10.216 -8.672 147 3HD1 LEU 19 1HD1 LEU 19 3.238 11.734 -8.946 148 1HD2 LEU 19 3HD2 LEU 19 1.883 9.155 -8.322 149 2HD2 LEU 19 2HD2 LEU 19 0.741 9.781 -7.150 150 3HD2 LEU 19 1HD2 LEU 19 1.110 10.696 -8.577 151 H LYS 20 H LYS 20 1.386 7.079 -5.074 152 HA LYS 20 HA LYS 20 3.725 5.752 -3.738 153 1HB LYS 20 2HB LYS 20 0.768 5.630 -3.107 154 2HB LYS 20 1HB LYS 20 1.764 4.218 -2.769 155 1HG LYS 20 2HG LYS 20 3.384 5.769 -1.475 156 2HG LYS 20 1HG LYS 20 2.339 7.099 -1.846 157 1HD LYS 20 2HD LYS 20 1.979 6.153 0.518 158 2HD LYS 20 1HD LYS 20 0.557 6.335 -0.467 159 1HE LYS 20 2HE LYS 20 0.591 4.169 0.731 160 2HE LYS 20 1HE LYS 20 0.516 3.976 -1.018 161 1HZ LYS 20 1HZ LYS 20 3.237 4.235 -0.176 162 2HZ LYS 20 3HZ LYS 20 2.503 2.924 0.668 163 3HZ LYS 20 2HZ LYS 20 2.551 2.976 -1.007 164 H TRP 21 H TRP 21 3.566 3.161 -4.090 165 HA TRP 21 HA TRP 21 2.876 2.868 -7.002 166 1HB TRP 21 2HB TRP 21 4.928 1.380 -5.270 167 2HB TRP 21 1HB TRP 21 4.590 0.990 -6.920 168 HD1 TRP 21 HD1 TRP 21 6.359 3.635 -4.757 169 HE1 TRP 21 HE1 TRP 21 7.916 4.879 -6.345 170 HE3 TRP 21 HE3 TRP 21 4.928 1.669 -9.131 171 HZ2 TRP 21 HZ2 TRP 21 8.591 4.981 -9.129 172 HZ3 TRP 21 HZ3 TRP 21 6.013 2.279 -11.263 173 HH2 TRP 21 HH2 TRP 21 7.857 3.943 -11.278 174 H TYR 22 H TYR 22 1.501 1.278 -7.503 175 HA TYR 22 HA TYR 22 0.480 -0.474 -5.278 176 1HB TYR 22 2HB TYR 22 -1.640 0.482 -5.726 177 2HB TYR 22 1HB TYR 22 -0.863 1.611 -6.804 178 HD1 TYR 22 HD1 TYR 22 -0.331 0.809 -9.196 179 HD2 TYR 22 HD2 TYR 22 -3.065 -1.036 -6.562 180 HE1 TYR 22 HE1 TYR 22 -1.404 -0.367 -11.123 181 HE2 TYR 22 HE2 TYR 22 -4.124 -2.233 -8.487 182 HH TYR 22 HH TYR 22 -2.734 -2.512 -11.352 183 H TYR 23 H TYR 23 0.043 -2.577 -6.052 184 HA TYR 23 HA TYR 23 1.794 -3.470 -8.260 185 1HB TYR 23 2HB TYR 23 1.372 -4.728 -5.975 186 2HB TYR 23 1HB TYR 23 -0.171 -5.163 -6.703 187 HD1 TYR 23 HD1 TYR 23 3.433 -5.233 -7.685 188 HD2 TYR 23 HD2 TYR 23 -0.335 -7.167 -7.743 189 HE1 TYR 23 HE1 TYR 23 4.432 -7.149 -8.843 190 HE2 TYR 23 HE2 TYR 23 0.655 -9.079 -8.907 191 HH TYR 23 HH TYR 23 4.103 -8.931 -9.831 192 H ASP 24 H ASP 24 1.154 -3.860 -10.264 193 HA ASP 24 HA ASP 24 -1.783 -3.937 -10.865 194 1HB ASP 24 2HB ASP 24 -0.388 -1.981 -11.477 195 2HB ASP 24 1HB ASP 24 0.462 -2.959 -12.664 196 HA PRO 25 HA PRO 25 -0.641 -8.342 -11.603 197 1HB PRO 25 2HB PRO 25 -3.467 -8.571 -12.267 198 2HB PRO 25 1HB PRO 25 -2.637 -9.169 -10.832 199 1HG PRO 25 2HG PRO 25 -3.994 -6.473 -11.239 200 2HG PRO 25 1HG PRO 25 -3.945 -7.481 -9.783 201 1HD PRO 25 2HD PRO 25 -2.445 -5.375 -9.837 202 2HD PRO 25 1HD PRO 25 -1.649 -6.869 -9.341 203 H ASN 26 H ASN 26 -2.107 -6.037 -13.828 204 HA ASN 26 HA ASN 26 -2.168 -7.700 -16.185 205 1HB ASN 26 2HB ASN 26 -3.380 -5.480 -15.838 206 2HB ASN 26 1HB ASN 26 -1.843 -4.652 -15.951 207 1HD2 ASN 26 2HD2 ASN 26 -1.974 -4.733 -19.425 208 2HD2 ASN 26 1HD2 ASN 26 -1.232 -4.059 -18.038 209 H THR 27 H THR 27 0.241 -5.895 -14.662 210 HA THR 27 HA THR 27 2.377 -6.728 -16.632 211 HB THR 27 HB THR 27 2.224 -4.266 -16.695 212 HG1 THR 27 HG1 THR 27 4.345 -5.594 -15.695 213 1HG2 THR 27 3HG2 THR 27 2.608 -4.367 -13.661 214 2HG2 THR 27 2HG2 THR 27 2.527 -2.939 -14.661 215 3HG2 THR 27 1HG2 THR 27 1.102 -3.937 -14.445 216 H LYS 28 H LYS 28 1.260 -6.999 -13.528 217 HA LYS 28 HA LYS 28 1.968 -7.817 -11.590 218 1HB LYS 28 2HB LYS 28 3.569 -9.424 -13.649 219 2HB LYS 28 1HB LYS 28 3.774 -9.815 -11.971 220 1HG LYS 28 2HG LYS 28 0.998 -9.836 -12.151 221 2HG LYS 28 1HG LYS 28 1.401 -10.138 -13.807 222 1HD LYS 28 2HD LYS 28 1.176 -12.406 -12.630 223 2HD LYS 28 1HD LYS 28 2.785 -12.166 -13.230 224 1HE LYS 28 2HE LYS 28 2.780 -13.116 -10.939 225 2HE LYS 28 1HE LYS 28 3.644 -11.592 -11.006 226 1HZ LYS 28 1HZ LYS 28 0.899 -11.066 -10.569 227 2HZ LYS 28 3HZ LYS 28 1.416 -12.137 -9.346 228 3HZ LYS 28 2HZ LYS 28 2.212 -10.679 -9.620 229 H SER 29 H SER 29 3.203 -5.560 -12.364 230 HA SER 29 HA SER 29 5.658 -5.505 -10.701 231 1HB SER 29 2HB SER 29 6.729 -4.041 -12.418 232 2HB SER 29 1HB SER 29 5.992 -5.359 -13.337 233 HG SER 29 HG SER 29 4.596 -3.921 -14.151 234 H CYS 30 H CYS 30 5.501 -2.431 -11.143 235 HA CYS 30 HA CYS 30 2.969 -1.942 -9.651 236 1HB CYS 30 2HB CYS 30 5.453 -0.408 -9.339 237 2HB CYS 30 1HB CYS 30 4.048 -0.376 -8.300 238 H ALA 31 H ALA 31 2.040 0.007 -9.815 239 HA ALA 31 HA ALA 31 2.927 1.856 -12.000 240 1HB ALA 31 2HB ALA 31 0.915 0.452 -12.701 241 2HB ALA 31 1HB ALA 31 0.056 1.082 -11.296 242 3HB ALA 31 3HB ALA 31 0.539 2.171 -12.584 243 H ARG 32 H ARG 32 2.219 3.980 -11.481 244 HA ARG 32 HA ARG 32 2.189 4.470 -8.599 245 1HB ARG 32 2HB ARG 32 3.772 5.354 -10.406 246 2HB ARG 32 1HB ARG 32 2.509 6.509 -10.750 247 1HG ARG 32 2HG ARG 32 3.676 7.795 -9.092 248 2HG ARG 32 1HG ARG 32 2.329 7.099 -8.254 249 1HD ARG 32 2HD ARG 32 4.007 6.602 -6.729 250 2HD ARG 32 1HD ARG 32 3.908 5.113 -7.632 251 HE ARG 32 HE ARG 32 6.289 5.797 -7.577 252 1HH1 ARG 32 1HH2 ARG 32 6.043 8.480 -8.021 253 2HH1 ARG 32 2HH2 ARG 32 6.558 8.745 -9.663 254 1HH2 ARG 32 2HH1 ARG 32 5.971 5.342 -10.136 255 2HH2 ARG 32 1HH1 ARG 32 6.490 6.750 -11.016 256 H PHE 33 H PHE 33 0.753 5.558 -7.495 257 HA PHE 33 HA PHE 33 -1.485 6.921 -8.934 258 1HB PHE 33 2HB PHE 33 -3.180 5.437 -8.085 259 2HB PHE 33 1HB PHE 33 -1.861 4.354 -8.407 260 HD1 PHE 33 HD2 PHE 33 -0.392 3.592 -6.552 261 HD2 PHE 33 HD1 PHE 33 -3.999 5.724 -5.865 262 HE1 PHE 33 HE2 PHE 33 -0.467 2.732 -4.251 263 HE2 PHE 33 HE1 PHE 33 -4.078 4.902 -3.587 264 HZ PHE 33 HZ PHE 33 -2.309 3.378 -2.758 265 H TRP 34 H TRP 34 -2.955 8.010 -7.441 266 HA TRP 34 HA TRP 34 -1.409 9.606 -5.490 267 1HB TRP 34 2HB TRP 34 -4.090 9.986 -6.996 268 2HB TRP 34 1HB TRP 34 -3.800 10.959 -5.626 269 HD1 TRP 34 HD1 TRP 34 -3.768 11.254 -8.877 270 HE1 TRP 34 HE1 TRP 34 -2.064 13.029 -9.692 271 HE3 TRP 34 HE3 TRP 34 -0.722 11.690 -4.794 272 HZ2 TRP 34 HZ2 TRP 34 0.148 14.414 -8.833 273 HZ3 TRP 34 HZ3 TRP 34 1.133 13.251 -4.830 274 HH2 TRP 34 HH2 TRP 34 1.603 14.625 -6.829 275 H TYR 35 H TYR 35 -1.412 8.611 -3.445 276 HA TYR 35 HA TYR 35 -3.900 7.379 -2.371 277 1HB TYR 35 2HB TYR 35 -1.926 5.964 -2.471 278 2HB TYR 35 1HB TYR 35 -0.943 7.213 -1.745 279 HD1 TYR 35 HD2 TYR 35 -3.487 4.682 -1.130 280 HD2 TYR 35 HD1 TYR 35 -1.001 7.590 0.748 281 HE1 TYR 35 HE2 TYR 35 -3.957 3.689 1.083 282 HE2 TYR 35 HE1 TYR 35 -1.495 6.560 2.929 283 HH TYR 35 HH TYR 35 -3.537 5.181 3.797 284 H GLY 36 H GLY 36 -4.654 7.913 -0.309 285 1HA GLY 36 2HA GLY 36 -3.805 10.602 0.798 286 2HA GLY 36 1HA GLY 36 -5.452 9.963 0.895 287 H GLY 37 H GLY 37 -3.657 10.662 3.105 288 1HA GLY 37 2HA GLY 37 -2.714 8.090 4.234 289 2HA GLY 37 1HA GLY 37 -2.678 9.621 5.078 290 H CYS 38 H CYS 38 -5.469 8.050 3.757 291 HA CYS 38 HA CYS 38 -6.431 7.426 6.536 292 1HB CYS 38 2HB CYS 38 -8.485 8.519 6.191 293 2HB CYS 38 1HB CYS 38 -7.279 9.603 5.556 294 H GLY 39 H GLY 39 -7.808 6.964 3.323 295 1HA GLY 39 2HA GLY 39 -8.221 4.048 4.012 296 2HA GLY 39 1HA GLY 39 -9.517 4.966 3.342 297 H GLY 40 H GLY 40 -6.183 4.214 2.289 298 1HA GLY 40 2HA GLY 40 -7.353 3.499 -0.423 299 2HA GLY 40 1HA GLY 40 -5.661 3.937 -0.169 300 H ASN 41 H ASN 41 -6.777 1.299 -1.236 301 HA ASN 41 HA ASN 41 -6.576 -0.601 0.947 302 1HB ASN 41 2HB ASN 41 -7.047 -2.198 -0.729 303 2HB ASN 41 1HB ASN 41 -7.712 -0.740 -1.457 304 1HD2 ASN 41 2HD2 ASN 41 -5.502 -1.035 -4.163 305 2HD2 ASN 41 1HD2 ASN 41 -6.892 -0.282 -3.596 306 H GLU 42 H GLU 42 -5.192 -2.449 1.026 307 HA GLU 42 HA GLU 42 -2.575 -2.022 1.853 308 1HB GLU 42 2HB GLU 42 -3.973 -4.514 0.886 309 2HB GLU 42 1HB GLU 42 -2.464 -4.513 1.781 310 1HG GLU 42 2HG GLU 42 -5.204 -4.147 2.862 311 2HG GLU 42 1HG GLU 42 -3.720 -4.448 3.728 312 H ASN 43 H ASN 43 -3.344 -2.330 -1.399 313 HA ASN 43 HA ASN 43 -0.621 -3.107 -2.252 314 1HB ASN 43 2HB ASN 43 -2.860 -3.946 -3.160 315 2HB ASN 43 1HB ASN 43 -3.185 -2.333 -3.774 316 1HD2 ASN 43 2HD2 ASN 43 -1.842 -3.479 -6.754 317 2HD2 ASN 43 1HD2 ASN 43 -3.240 -3.005 -5.930 318 H LYS 44 H LYS 44 -0.446 -1.210 -0.756 319 HA LYS 44 HA LYS 44 -0.042 1.383 -2.178 320 1HB LYS 44 2HB LYS 44 -0.681 2.498 -0.100 321 2HB LYS 44 1HB LYS 44 -1.887 1.387 -0.671 322 1HG LYS 44 2HG LYS 44 -1.490 -0.226 0.957 323 2HG LYS 44 1HG LYS 44 0.122 0.302 1.335 324 1HD LYS 44 2HD LYS 44 -0.872 1.346 3.066 325 2HD LYS 44 1HD LYS 44 -1.231 2.578 1.876 326 1HE LYS 44 2HE LYS 44 -3.305 2.190 3.088 327 2HE LYS 44 1HE LYS 44 -3.460 1.560 1.458 328 1HZ LYS 44 3HZ LYS 44 -2.441 -0.548 3.158 329 2HZ LYS 44 2HZ LYS 44 -3.774 0.043 3.860 330 3HZ LYS 44 1HZ LYS 44 -3.895 -0.481 2.368 331 H PHE 45 H PHE 45 2.198 0.857 -2.782 332 HA PHE 45 HA PHE 45 4.136 0.588 -0.572 333 1HB PHE 45 2HB PHE 45 4.360 0.038 -3.605 334 2HB PHE 45 1HB PHE 45 5.541 -0.340 -2.376 335 HD1 PHE 45 HD1 PHE 45 4.647 -1.712 -0.304 336 HD2 PHE 45 HD2 PHE 45 2.668 -1.564 -4.070 337 HE1 PHE 45 HE1 PHE 45 3.437 -3.749 0.273 338 HE2 PHE 45 HE2 PHE 45 1.451 -3.619 -3.486 339 HZ PHE 45 HZ PHE 45 1.817 -4.704 -1.334 340 H GLY 46 H GLY 46 6.212 1.437 -0.916 341 1HA GLY 46 2HA GLY 46 6.289 4.398 -1.382 342 2HA GLY 46 1HA GLY 46 7.520 3.425 -0.566 343 H SER 47 H SER 47 7.901 1.457 -2.542 344 HA SER 47 HA SER 47 8.913 2.988 -4.915 345 1HB SER 47 2HB SER 47 10.956 2.600 -3.511 346 2HB SER 47 1HB SER 47 10.730 0.852 -3.697 347 HG SER 47 HG SER 47 11.804 2.438 -5.421 348 H GLN 48 H GLN 48 9.523 1.442 -6.643 349 HA GLN 48 HA GLN 48 7.282 -0.286 -7.211 350 1HB GLN 48 2HB GLN 48 8.621 0.839 -9.003 351 2HB GLN 48 1HB GLN 48 10.052 -0.060 -8.546 352 1HG GLN 48 2HG GLN 48 7.502 -1.499 -9.436 353 2HG GLN 48 1HG GLN 48 8.680 -0.981 -10.622 354 1HE2 GLN 48 2HE2 GLN 48 9.103 -4.445 -8.956 355 2HE2 GLN 48 1HE2 GLN 48 7.694 -3.507 -8.823 356 H LYS 49 H LYS 49 10.455 -0.936 -6.063 357 HA LYS 49 HA LYS 49 10.231 -3.760 -6.184 358 1HB LYS 49 2HB LYS 49 11.912 -1.782 -4.497 359 2HB LYS 49 1HB LYS 49 12.138 -3.504 -4.273 360 1HG LYS 49 2HG LYS 49 12.227 -2.300 -7.086 361 2HG LYS 49 1HG LYS 49 13.658 -2.289 -6.070 362 1HD LYS 49 2HD LYS 49 13.763 -4.694 -5.957 363 2HD LYS 49 1HD LYS 49 12.105 -4.913 -6.415 364 1HE LYS 49 2HE LYS 49 14.126 -3.755 -8.367 365 2HE LYS 49 1HE LYS 49 13.886 -5.494 -8.153 366 1HZ LYS 49 3HZ LYS 49 11.345 -4.461 -8.277 367 2HZ LYS 49 2HZ LYS 49 12.053 -3.701 -9.562 368 3HZ LYS 49 1HZ LYS 49 12.014 -5.394 -9.338 369 H GLU 50 H GLU 50 9.030 -1.611 -3.633 370 HA GLU 50 HA GLU 50 8.517 -3.572 -1.737 371 1HB GLU 50 2HB GLU 50 7.332 -1.100 -2.593 372 2HB GLU 50 1HB GLU 50 6.413 -2.092 -1.443 373 1HG GLU 50 2HG GLU 50 7.714 -1.346 0.259 374 2HG GLU 50 1HG GLU 50 9.164 -1.918 -0.547 375 H CYS 51 H CYS 51 6.206 -2.419 -4.104 376 HA CYS 51 HA CYS 51 4.154 -4.307 -3.728 377 1HB CYS 51 2HB CYS 51 4.638 -3.909 -6.617 378 2HB CYS 51 1HB CYS 51 3.236 -3.531 -5.670 379 H GLU 52 H GLU 52 6.997 -4.581 -5.878 380 HA GLU 52 HA GLU 52 6.429 -7.269 -6.786 381 1HB GLU 52 2HB GLU 52 7.853 -5.638 -7.953 382 2HB GLU 52 1HB GLU 52 8.857 -5.388 -6.559 383 1HG GLU 52 2HG GLU 52 9.661 -7.855 -6.830 384 2HG GLU 52 1HG GLU 52 8.770 -7.899 -8.340 385 H LYS 53 H LYS 53 8.721 -6.289 -4.280 386 HA LYS 53 HA LYS 53 9.214 -8.979 -3.532 387 1HB LYS 53 2HB LYS 53 10.703 -7.046 -2.944 388 2HB LYS 53 1HB LYS 53 9.451 -6.312 -1.982 389 1HG LYS 53 2HG LYS 53 10.371 -9.116 -1.262 390 2HG LYS 53 1HG LYS 53 11.425 -7.776 -0.859 391 1HD LYS 53 2HD LYS 53 9.800 -6.703 0.550 392 2HD LYS 53 1HD LYS 53 8.460 -7.639 -0.031 393 1HE LYS 53 2HE LYS 53 10.793 -8.782 1.560 394 2HE LYS 53 1HE LYS 53 9.256 -8.293 2.270 395 1HZ LYS 53 3HZ LYS 53 8.686 -9.854 0.003 396 2HZ LYS 53 2HZ LYS 53 9.820 -10.741 0.872 397 3HZ LYS 53 1HZ LYS 53 8.344 -10.269 1.574 398 H VAL 54 H VAL 54 6.463 -7.111 -2.915 399 HA VAL 54 HA VAL 54 5.526 -8.731 -0.618 400 HB VAL 54 HB VAL 54 4.555 -6.247 -2.111 401 1HG1 VAL 54 3HG1 VAL 54 3.470 -7.567 0.449 402 2HG1 VAL 54 2HG1 VAL 54 2.929 -6.036 -0.191 403 3HG1 VAL 54 1HG1 VAL 54 2.607 -7.516 -1.080 404 1HG2 VAL 54 2HG2 VAL 54 6.573 -5.956 -0.629 405 2HG2 VAL 54 1HG2 VAL 54 5.197 -5.094 -0.001 406 3HG2 VAL 54 3HG2 VAL 54 5.681 -6.611 0.729 407 H CYS 55 H CYS 55 4.454 -8.119 -3.986 408 HA CYS 55 HA CYS 55 2.563 -10.439 -3.814 409 1HB CYS 55 2HB CYS 55 1.655 -8.355 -4.760 410 2HB CYS 55 1HB CYS 55 2.908 -8.327 -5.980 411 H ALA 56 H ALA 56 5.557 -9.567 -5.283 412 HA ALA 56 HA ALA 56 5.614 -12.085 -6.906 413 1HB ALA 56 3HB ALA 56 6.004 -9.894 -8.105 414 2HB ALA 56 2HB ALA 56 7.350 -9.581 -7.030 415 3HB ALA 56 1HB ALA 56 7.454 -10.908 -8.137 416 HA PRO 57 HA PRO 57 8.990 -13.249 -3.998 417 1HB PRO 57 2HB PRO 57 8.104 -13.752 -1.564 418 2HB PRO 57 1HB PRO 57 8.194 -12.050 -2.087 419 1HG PRO 57 2HG PRO 57 5.738 -13.913 -2.155 420 2HG PRO 57 1HG PRO 57 5.807 -12.297 -1.449 421 1HD PRO 57 2HD PRO 57 4.956 -12.802 -4.085 422 2HD PRO 57 1HD PRO 57 5.626 -11.251 -3.512 423 H VAL 58 HN VAL 58 8.452 -14.784 -5.805 424 HA VAL 58 HA VAL 58 7.815 -17.476 -4.731 425 HB VAL 58 HB VAL 58 5.804 -16.392 -6.051 426 1HG1 VAL 58 1HG1 VAL 58 7.213 -15.105 -7.637 427 2HG1 VAL 58 3HG1 VAL 58 7.786 -16.601 -8.332 428 3HG1 VAL 58 2HG1 VAL 58 6.093 -16.148 -8.518 429 1HG2 VAL 58 2HG2 VAL 58 6.099 -18.887 -5.997 430 2HG2 VAL 58 1HG2 VAL 58 5.426 -18.368 -7.543 431 3HG2 VAL 58 3HG2 VAL 58 7.133 -18.774 -7.404 No H/Q in entry = 431 Start of MODEL 5 1 1H GLU 1 1H GLU 1 -3.983 -15.618 -0.887 2 2H GLU 1 3H GLU 1 -4.552 -17.205 -0.673 3 3H GLU 1 2H GLU 1 -5.309 -16.206 -1.778 4 HA GLU 1 HA GLU 1 -6.680 -15.396 -0.335 5 1HB GLU 1 2HB GLU 1 -5.230 -17.336 1.613 6 2HB GLU 1 1HB GLU 1 -6.785 -16.617 1.961 7 1HG GLU 1 2HG GLU 1 -6.846 -19.056 0.964 8 2HG GLU 1 1HG GLU 1 -7.882 -17.909 0.140 9 H THR 2 H THR 2 -4.683 -13.922 -0.701 10 HA THR 2 HA THR 2 -4.763 -11.788 1.226 11 HB THR 2 HB THR 2 -2.161 -11.656 1.639 12 HG1 THR 2 HG1 THR 2 -1.272 -12.814 0.116 13 1HG2 THR 2 2HG2 THR 2 -3.421 -13.223 3.321 14 2HG2 THR 2 1HG2 THR 2 -2.989 -14.534 2.237 15 3HG2 THR 2 3HG2 THR 2 -1.733 -13.602 3.012 16 H ASP 3 H ASP 3 -5.351 -12.399 -1.177 17 HA ASP 3 HA ASP 3 -3.802 -11.658 -3.362 18 1HB ASP 3 2HB ASP 3 -6.793 -11.833 -2.829 19 2HB ASP 3 1HB ASP 3 -6.035 -11.656 -4.414 20 H ILE 4 H ILE 4 -3.506 -9.416 -1.610 21 HA ILE 4 HA ILE 4 -4.795 -7.042 -2.243 22 HB ILE 4 HB ILE 4 -2.722 -5.893 -1.794 23 1HG1 ILE 4 2HG1 ILE 4 -1.406 -8.682 -1.919 24 2HG1 ILE 4 1HG1 ILE 4 -1.208 -7.467 -3.167 25 1HG2 ILE 4 1HG2 ILE 4 -3.975 -6.883 0.114 26 2HG2 ILE 4 3HG2 ILE 4 -3.072 -8.382 -0.033 27 3HG2 ILE 4 2HG2 ILE 4 -2.263 -6.908 0.452 28 1HD1 ILE 4 1HD1 ILE 4 -0.195 -5.914 -1.523 29 2HD1 ILE 4 3HD1 ILE 4 -0.299 -7.155 -0.285 30 3HD1 ILE 4 2HD1 ILE 4 0.703 -7.416 -1.702 31 H CYS 5 H CYS 5 -2.679 -8.823 -4.129 32 HA CYS 5 HA CYS 5 -1.828 -7.230 -6.246 33 1HB CYS 5 2HB CYS 5 -2.648 -10.127 -6.209 34 2HB CYS 5 1HB CYS 5 -1.522 -9.414 -7.341 35 H LYS 6 H LYS 6 -4.965 -8.304 -5.601 36 HA LYS 6 HA LYS 6 -5.934 -7.594 -8.359 37 1HB LYS 6 2HB LYS 6 -7.360 -9.187 -6.190 38 2HB LYS 6 1HB LYS 6 -7.890 -8.996 -7.852 39 1HG LYS 6 2HG LYS 6 -5.482 -10.051 -8.416 40 2HG LYS 6 1HG LYS 6 -5.543 -10.630 -6.769 41 1HD LYS 6 2HD LYS 6 -7.649 -11.174 -8.946 42 2HD LYS 6 1HD LYS 6 -6.448 -12.328 -8.443 43 1HE LYS 6 2HE LYS 6 -8.549 -11.229 -6.542 44 2HE LYS 6 1HE LYS 6 -8.798 -12.677 -7.510 45 1HZ LYS 6 3HZ LYS 6 -6.232 -12.868 -6.188 46 2HZ LYS 6 2HZ LYS 6 -7.349 -12.527 -5.060 47 3HZ LYS 6 1HZ LYS 6 -7.488 -13.867 -5.977 48 H LEU 7 H LEU 7 -5.449 -5.840 -5.831 49 HA LEU 7 HA LEU 7 -8.022 -4.508 -5.818 50 1HB LEU 7 2HB LEU 7 -5.776 -4.277 -3.767 51 2HB LEU 7 1HB LEU 7 -7.405 -3.691 -3.537 52 HG LEU 7 HG LEU 7 -6.523 -6.599 -3.758 53 1HD1 LEU 7 3HD1 LEU 7 -6.053 -5.413 -1.582 54 2HD1 LEU 7 2HD1 LEU 7 -7.718 -4.935 -1.481 55 3HD1 LEU 7 1HD1 LEU 7 -7.297 -6.626 -1.368 56 1HD2 LEU 7 1HD2 LEU 7 -9.303 -5.395 -3.253 57 2HD2 LEU 7 3HD2 LEU 7 -8.840 -6.226 -4.729 58 3HD2 LEU 7 2HD2 LEU 7 -8.921 -7.106 -3.220 59 HA PRO 8 HA PRO 8 -6.158 -1.347 -7.994 60 1HB PRO 8 2HB PRO 8 -8.391 0.413 -7.728 61 2HB PRO 8 1HB PRO 8 -8.305 -0.995 -8.797 62 1HG PRO 8 2HG PRO 8 -9.980 -0.695 -6.493 63 2HG PRO 8 1HG PRO 8 -9.694 -2.233 -7.317 64 1HD PRO 8 2HD PRO 8 -8.276 -1.041 -4.902 65 2HD PRO 8 1HD PRO 8 -8.824 -2.711 -5.121 66 H LYS 9 H LYS 9 -6.332 1.035 -8.285 67 HA LYS 9 HA LYS 9 -4.402 2.351 -6.475 68 1HB LYS 9 2HB LYS 9 -5.827 3.163 -9.068 69 2HB LYS 9 1HB LYS 9 -4.633 4.162 -8.288 70 1HG LYS 9 2HG LYS 9 -2.845 2.831 -8.844 71 2HG LYS 9 1HG LYS 9 -3.733 1.346 -8.758 72 1HD LYS 9 2HD LYS 9 -4.425 3.314 -10.981 73 2HD LYS 9 1HD LYS 9 -2.937 2.441 -11.156 74 1HE LYS 9 2HE LYS 9 -4.587 0.341 -10.554 75 2HE LYS 9 1HE LYS 9 -5.789 1.442 -11.220 76 1HZ LYS 9 1HZ LYS 9 -3.382 1.428 -12.795 77 2HZ LYS 9 3HZ LYS 9 -3.835 -0.094 -12.627 78 3HZ LYS 9 2HZ LYS 9 -4.925 0.960 -13.355 79 H ASP 10 H ASP 10 -6.101 2.113 -4.757 80 HA ASP 10 HA ASP 10 -8.228 4.128 -4.862 81 1HB ASP 10 2HB ASP 10 -7.668 2.049 -2.720 82 2HB ASP 10 1HB ASP 10 -9.151 2.948 -2.906 83 H GLU 11 H GLU 11 -8.904 5.291 -3.058 84 HA GLU 11 HA GLU 11 -6.820 6.568 -1.360 85 1HB GLU 11 2HB GLU 11 -8.504 8.750 -1.833 86 2HB GLU 11 1HB GLU 11 -7.509 8.268 -3.162 87 1HG GLU 11 2HG GLU 11 -9.232 7.166 -4.311 88 2HG GLU 11 1HG GLU 11 -10.294 6.923 -2.961 89 H GLY 12 H GLY 12 -10.371 6.957 -1.291 90 1HA GLY 12 2HA GLY 12 -11.633 5.571 0.469 91 2HA GLY 12 1HA GLY 12 -10.345 5.986 1.572 92 H THR 13 H THR 13 -10.194 8.342 2.170 93 HA THR 13 HA THR 13 -12.894 9.673 2.021 94 HB THR 13 HB THR 13 -12.496 10.430 4.459 95 HG1 THR 13 HG1 THR 13 -10.671 8.712 5.140 96 1HG2 THR 13 1HG2 THR 13 -13.650 8.122 3.981 97 2HG2 THR 13 3HG2 THR 13 -12.053 7.411 4.114 98 3HG2 THR 13 2HG2 THR 13 -12.774 8.213 5.503 99 H CYS 14 H CYS 14 -9.864 10.663 3.462 100 HA CYS 14 HA CYS 14 -10.008 13.403 2.926 101 1HB CYS 14 2HB CYS 14 -7.669 11.554 3.186 102 2HB CYS 14 1HB CYS 14 -7.454 13.272 3.208 103 H ARG 15 H ARG 15 -8.452 14.678 1.605 104 HA ARG 15 HA ARG 15 -8.160 13.636 -1.215 105 1HB ARG 15 2HB ARG 15 -9.952 15.685 -0.257 106 2HB ARG 15 1HB ARG 15 -8.657 16.556 -1.026 107 1HG ARG 15 2HG ARG 15 -9.979 16.245 -2.895 108 2HG ARG 15 1HG ARG 15 -9.053 14.766 -3.001 109 1HD ARG 15 2HD ARG 15 -11.788 15.002 -1.636 110 2HD ARG 15 1HD ARG 15 -11.534 14.337 -3.243 111 HE ARG 15 HE ARG 15 -10.210 13.098 -0.800 112 1HH1 ARG 15 2HH1 ARG 15 -9.971 12.451 -3.759 113 2HH1 ARG 15 1HH1 ARG 15 -10.716 10.894 -3.691 114 1HH2 ARG 15 1HH2 ARG 15 -11.888 11.467 -0.564 115 2HH2 ARG 15 2HH2 ARG 15 -11.770 10.331 -1.889 116 H ASP 16 H ASP 16 -6.095 13.356 0.435 117 HA ASP 16 HA ASP 16 -4.200 15.583 -0.077 118 1HB ASP 16 2HB ASP 16 -3.083 14.598 1.965 119 2HB ASP 16 1HB ASP 16 -4.779 14.870 2.313 120 H PHE 17 H PHE 17 -4.822 13.653 -2.086 121 HA PHE 17 HA PHE 17 -3.382 11.570 -2.827 122 1HB PHE 17 2HB PHE 17 -3.291 14.073 -4.481 123 2HB PHE 17 1HB PHE 17 -2.996 12.483 -5.094 124 HD1 PHE 17 HD2 PHE 17 -4.875 10.662 -4.553 125 HD2 PHE 17 HD1 PHE 17 -5.493 14.869 -4.654 126 HE1 PHE 17 HE2 PHE 17 -7.271 10.295 -4.968 127 HE2 PHE 17 HE1 PHE 17 -7.901 14.506 -5.079 128 HZ PHE 17 HZ PHE 17 -8.770 12.175 -5.242 129 H ILE 18 H ILE 18 -1.486 11.029 -1.836 130 HA ILE 18 HA ILE 18 0.972 12.585 -2.669 131 HB ILE 18 HB ILE 18 2.114 11.743 -0.671 132 1HG1 ILE 18 2HG1 ILE 18 0.553 9.971 0.752 133 2HG1 ILE 18 1HG1 ILE 18 0.160 9.483 -0.873 134 1HG2 ILE 18 3HG2 ILE 18 0.403 13.381 -0.011 135 2HG2 ILE 18 2HG2 ILE 18 -0.723 12.077 0.288 136 3HG2 ILE 18 1HG2 ILE 18 0.714 12.213 1.254 137 1HD1 ILE 18 3HD1 ILE 18 2.955 9.806 0.252 138 2HD1 ILE 18 2HD1 ILE 18 2.112 8.269 -0.014 139 3HD1 ILE 18 1HD1 ILE 18 2.593 9.267 -1.400 140 H LEU 19 H LEU 19 2.777 11.139 -3.469 141 HA LEU 19 HA LEU 19 1.595 9.062 -5.170 142 1HB LEU 19 2HB LEU 19 4.269 10.431 -5.117 143 2HB LEU 19 1HB LEU 19 4.151 8.946 -5.999 144 HG LEU 19 HG LEU 19 2.595 11.543 -6.598 145 1HD1 LEU 19 1HD1 LEU 19 4.930 11.446 -7.450 146 2HD1 LEU 19 3HD1 LEU 19 4.557 9.929 -8.262 147 3HD1 LEU 19 2HD1 LEU 19 3.753 11.408 -8.746 148 1HD2 LEU 19 3HD2 LEU 19 2.337 8.856 -8.032 149 2HD2 LEU 19 2HD2 LEU 19 1.086 9.623 -7.068 150 3HD2 LEU 19 1HD2 LEU 19 1.623 10.378 -8.531 151 H LYS 20 H LYS 20 1.901 6.988 -5.181 152 HA LYS 20 HA LYS 20 4.042 5.673 -3.616 153 1HB LYS 20 2HB LYS 20 1.027 5.321 -3.155 154 2HB LYS 20 1HB LYS 20 2.134 4.068 -2.644 155 1HG LYS 20 2HG LYS 20 2.310 6.986 -1.721 156 2HG LYS 20 1HG LYS 20 1.550 5.714 -0.802 157 1HD LYS 20 2HD LYS 20 3.564 4.441 -0.534 158 2HD LYS 20 1HD LYS 20 4.461 5.366 -1.699 159 1HE LYS 20 2HE LYS 20 3.491 6.481 0.932 160 2HE LYS 20 1HE LYS 20 5.092 5.791 0.668 161 1HZ LYS 20 3HZ LYS 20 4.464 7.604 -1.461 162 2HZ LYS 20 2HZ LYS 20 4.218 8.399 -0.019 163 3HZ LYS 20 1HZ LYS 20 5.738 7.737 -0.366 164 H TRP 21 H TRP 21 3.832 3.096 -3.952 165 HA TRP 21 HA TRP 21 3.462 2.705 -6.889 166 1HB TRP 21 2HB TRP 21 5.205 1.188 -4.882 167 2HB TRP 21 1HB TRP 21 4.982 0.673 -6.537 168 HD1 TRP 21 HD1 TRP 21 6.587 3.497 -4.452 169 HE1 TRP 21 HE1 TRP 21 8.289 4.589 -5.996 170 HE3 TRP 21 HE3 TRP 21 5.633 1.019 -8.698 171 HZ2 TRP 21 HZ2 TRP 21 9.260 4.382 -8.697 172 HZ3 TRP 21 HZ3 TRP 21 6.931 1.427 -10.769 173 HH2 TRP 21 HH2 TRP 21 8.745 3.104 -10.782 174 H TYR 22 H TYR 22 2.154 1.097 -7.597 175 HA TYR 22 HA TYR 22 0.963 -0.744 -5.540 176 1HB TYR 22 2HB TYR 22 -1.292 -0.191 -6.153 177 2HB TYR 22 1HB TYR 22 -0.543 1.381 -6.291 178 HD1 TYR 22 HD2 TYR 22 0.198 2.170 -8.585 179 HD2 TYR 22 HD1 TYR 22 -2.131 -1.342 -8.040 180 HE1 TYR 22 HE2 TYR 22 -0.421 2.146 -10.988 181 HE2 TYR 22 HE1 TYR 22 -2.726 -1.346 -10.426 182 HH TYR 22 HH TYR 22 -1.598 -0.309 -12.546 183 H TYR 23 H TYR 23 0.315 -2.649 -6.413 184 HA TYR 23 HA TYR 23 1.735 -3.601 -8.752 185 1HB TYR 23 2HB TYR 23 1.652 -4.818 -6.599 186 2HB TYR 23 1HB TYR 23 -0.093 -4.861 -6.684 187 HD1 TYR 23 HD1 TYR 23 -1.261 -6.102 -8.477 188 HD2 TYR 23 HD2 TYR 23 2.902 -6.562 -7.778 189 HE1 TYR 23 HE1 TYR 23 -1.280 -8.240 -9.718 190 HE2 TYR 23 HE2 TYR 23 2.851 -8.708 -9.029 191 HH TYR 23 HH TYR 23 1.016 -10.410 -9.477 192 H ASP 24 H ASP 24 0.869 -3.569 -10.712 193 HA ASP 24 HA ASP 24 -2.053 -3.159 -11.028 194 1HB ASP 24 2HB ASP 24 -0.513 -1.581 -12.001 195 2HB ASP 24 1HB ASP 24 0.048 -2.803 -13.116 196 HA PRO 25 HA PRO 25 -1.998 -7.773 -12.151 197 1HB PRO 25 2HB PRO 25 -4.720 -7.370 -13.030 198 2HB PRO 25 1HB PRO 25 -4.169 -8.084 -11.514 199 1HG PRO 25 2HG PRO 25 -4.824 -5.146 -12.071 200 2HG PRO 25 1HG PRO 25 -5.267 -6.122 -10.661 201 1HD PRO 25 2HD PRO 25 -3.250 -4.484 -10.369 202 2HD PRO 25 1HD PRO 25 -2.954 -6.150 -9.873 203 H ASN 26 H ASN 26 -2.804 -5.076 -14.318 204 HA ASN 26 HA ASN 26 -2.858 -6.659 -16.747 205 1HB ASN 26 2HB ASN 26 -3.595 -4.128 -16.353 206 2HB ASN 26 1HB ASN 26 -1.903 -3.758 -16.599 207 1HD2 ASN 26 2HD2 ASN 26 -3.990 -4.223 -19.812 208 2HD2 ASN 26 1HD2 ASN 26 -4.697 -3.865 -18.295 209 H THR 27 H THR 27 -0.376 -5.180 -14.868 210 HA THR 27 HA THR 27 1.806 -6.044 -16.748 211 HB THR 27 HB THR 27 3.346 -4.661 -15.427 212 HG1 THR 27 HG1 THR 27 1.325 -4.228 -13.485 213 1HG2 THR 27 2HG2 THR 27 0.599 -3.322 -15.068 214 2HG2 THR 27 1HG2 THR 27 2.168 -2.533 -15.033 215 3HG2 THR 27 3HG2 THR 27 1.548 -3.212 -16.529 216 H LYS 28 H LYS 28 1.040 -6.292 -13.419 217 HA LYS 28 HA LYS 28 0.968 -7.906 -11.890 218 1HB LYS 28 2HB LYS 28 2.539 -9.641 -13.972 219 2HB LYS 28 1HB LYS 28 2.104 -10.213 -12.392 220 1HG LYS 28 2HG LYS 28 -0.129 -10.285 -12.707 221 2HG LYS 28 1HG LYS 28 -0.160 -8.964 -13.819 222 1HD LYS 28 2HD LYS 28 0.878 -11.810 -14.525 223 2HD LYS 28 1HD LYS 28 -0.725 -11.278 -14.946 224 1HE LYS 28 2HE LYS 28 1.904 -10.151 -15.976 225 2HE LYS 28 1HE LYS 28 0.717 -11.071 -16.881 226 1HZ LYS 28 1HZ LYS 28 -0.648 -8.886 -15.658 227 2HZ LYS 28 3HZ LYS 28 0.734 -8.288 -16.368 228 3HZ LYS 28 2HZ LYS 28 -0.382 -9.052 -17.306 229 H SER 29 H SER 29 2.715 -5.886 -12.317 230 HA SER 29 HA SER 29 4.767 -6.470 -10.360 231 1HB SER 29 2HB SER 29 6.488 -5.272 -11.841 232 2HB SER 29 1HB SER 29 5.754 -6.585 -12.755 233 HG SER 29 HG SER 29 4.033 -4.749 -13.251 234 H CYS 30 H CYS 30 5.639 -3.586 -10.512 235 HA CYS 30 HA CYS 30 3.073 -2.184 -9.922 236 1HB CYS 30 2HB CYS 30 5.507 -2.465 -8.292 237 2HB CYS 30 1HB CYS 30 4.750 -0.904 -8.212 238 H ALA 31 H ALA 31 2.866 -0.088 -9.943 239 HA ALA 31 HA ALA 31 4.798 1.628 -11.411 240 1HB ALA 31 2HB ALA 31 1.808 1.259 -12.045 241 2HB ALA 31 1HB ALA 31 2.863 2.408 -12.858 242 3HB ALA 31 3HB ALA 31 3.130 0.684 -13.045 243 H ARG 32 H ARG 32 3.848 3.915 -11.211 244 HA ARG 32 HA ARG 32 3.177 4.359 -8.392 245 1HB ARG 32 2HB ARG 32 4.604 5.885 -10.470 246 2HB ARG 32 1HB ARG 32 3.870 6.822 -9.160 247 1HG ARG 32 2HG ARG 32 5.132 5.354 -7.503 248 2HG ARG 32 1HG ARG 32 5.793 4.449 -8.836 249 1HD ARG 32 2HD ARG 32 6.352 7.421 -8.308 250 2HD ARG 32 1HD ARG 32 7.438 6.101 -7.922 251 HE ARG 32 HE ARG 32 7.330 5.482 -10.441 252 1HH1 ARG 32 1HH2 ARG 32 5.379 7.555 -10.861 253 2HH1 ARG 32 2HH2 ARG 32 6.255 8.776 -11.729 254 1HH2 ARG 32 2HH1 ARG 32 9.171 7.232 -10.622 255 2HH2 ARG 32 1HH1 ARG 32 8.615 8.570 -11.572 256 H PHE 33 H PHE 33 1.572 5.480 -7.619 257 HA PHE 33 HA PHE 33 -0.211 7.036 -9.431 258 1HB PHE 33 2HB PHE 33 -2.093 5.648 -9.178 259 2HB PHE 33 1HB PHE 33 -0.829 4.452 -9.107 260 HD1 PHE 33 HD2 PHE 33 -0.139 3.499 -6.880 261 HD2 PHE 33 HD1 PHE 33 -3.488 6.095 -7.270 262 HE1 PHE 33 HE2 PHE 33 -1.006 2.735 -4.700 263 HE2 PHE 33 HE1 PHE 33 -4.339 5.344 -5.120 264 HZ PHE 33 HZ PHE 33 -3.104 3.659 -3.825 265 H TRP 34 H TRP 34 -2.014 7.982 -8.262 266 HA TRP 34 HA TRP 34 -1.045 9.513 -5.926 267 1HB TRP 34 2HB TRP 34 -3.352 9.872 -7.975 268 2HB TRP 34 1HB TRP 34 -3.310 10.901 -6.624 269 HD1 TRP 34 HD1 TRP 34 -2.673 10.986 -9.843 270 HE1 TRP 34 HE1 TRP 34 -0.871 12.767 -10.430 271 HE3 TRP 34 HE3 TRP 34 -0.598 11.691 -5.334 272 HZ2 TRP 34 HZ2 TRP 34 1.121 14.279 -9.190 273 HZ3 TRP 34 HZ3 TRP 34 1.226 13.306 -5.011 274 HH2 TRP 34 HH2 TRP 34 2.104 14.607 -6.925 275 H TYR 35 H TYR 35 -1.660 8.616 -3.890 276 HA TYR 35 HA TYR 35 -4.462 7.473 -3.707 277 1HB TYR 35 2HB TYR 35 -3.579 5.604 -2.838 278 2HB TYR 35 1HB TYR 35 -1.984 6.186 -3.211 279 HD1 TYR 35 HD1 TYR 35 -4.524 6.770 -0.412 280 HD2 TYR 35 HD2 TYR 35 -0.492 5.927 -1.479 281 HE1 TYR 35 HE1 TYR 35 -3.909 6.599 1.959 282 HE2 TYR 35 HE2 TYR 35 0.071 5.757 0.928 283 HH TYR 35 HH TYR 35 -2.058 6.651 3.396 284 H GLY 36 H GLY 36 -2.015 9.055 -1.846 285 1HA GLY 36 2HA GLY 36 -2.706 11.240 -0.593 286 2HA GLY 36 1HA GLY 36 -4.141 10.343 -0.110 287 H GLY 37 H GLY 37 -3.360 10.880 1.983 288 1HA GLY 37 2HA GLY 37 -1.244 8.950 2.972 289 2HA GLY 37 1HA GLY 37 -1.577 10.518 3.748 290 H CYS 38 H CYS 38 -4.072 10.693 3.905 291 HA CYS 38 HA CYS 38 -4.942 9.007 6.059 292 1HB CYS 38 2HB CYS 38 -5.578 11.251 6.021 293 2HB CYS 38 1HB CYS 38 -6.024 11.198 4.358 294 H GLY 39 H GLY 39 -4.596 6.949 4.782 295 1HA GLY 39 2HA GLY 39 -6.480 5.112 4.725 296 2HA GLY 39 1HA GLY 39 -7.132 6.046 3.414 297 H GLY 40 H GLY 40 -6.888 5.128 1.569 298 1HA GLY 40 2HA GLY 40 -5.968 3.966 -0.287 299 2HA GLY 40 1HA GLY 40 -4.397 4.064 0.500 300 H ASN 41 H ASN 41 -6.131 1.738 -0.768 301 HA ASN 41 HA ASN 41 -6.578 -0.116 1.443 302 1HB ASN 41 2HB ASN 41 -6.908 -1.757 -0.413 303 2HB ASN 41 1HB ASN 41 -7.781 -0.277 -0.704 304 1HD2 ASN 41 2HD2 ASN 41 -6.256 -0.096 -3.798 305 2HD2 ASN 41 1HD2 ASN 41 -7.717 -0.076 -2.942 306 H GLU 42 H GLU 42 -5.266 -2.423 0.176 307 HA GLU 42 HA GLU 42 -2.710 -2.311 1.636 308 1HB GLU 42 2HB GLU 42 -4.037 -4.657 0.242 309 2HB GLU 42 1HB GLU 42 -2.827 -4.737 1.509 310 1HG GLU 42 2HG GLU 42 -5.078 -5.158 2.545 311 2HG GLU 42 1HG GLU 42 -4.565 -3.575 3.084 312 H ASN 43 H ASN 43 -3.429 -1.533 -1.431 313 HA ASN 43 HA ASN 43 -0.854 -2.561 -2.543 314 1HB ASN 43 2HB ASN 43 -3.094 -3.312 -3.371 315 2HB ASN 43 1HB ASN 43 -3.383 -1.696 -4.002 316 1HD2 ASN 43 2HD2 ASN 43 -1.878 -3.238 -6.892 317 2HD2 ASN 43 1HD2 ASN 43 -3.391 -2.975 -6.191 318 H LYS 44 H LYS 44 -0.470 -0.611 -1.083 319 HA LYS 44 HA LYS 44 0.369 1.629 -2.861 320 1HB LYS 44 2HB LYS 44 -0.466 3.344 -1.087 321 2HB LYS 44 1HB LYS 44 -1.681 2.539 -2.026 322 1HG LYS 44 2HG LYS 44 -2.626 2.602 0.120 323 2HG LYS 44 1HG LYS 44 -2.038 0.963 -0.036 324 1HD LYS 44 2HD LYS 44 -0.454 1.215 1.646 325 2HD LYS 44 1HD LYS 44 -0.010 2.810 1.108 326 1HE LYS 44 2HE LYS 44 -0.916 2.928 3.378 327 2HE LYS 44 1HE LYS 44 -1.864 3.848 2.235 328 1HZ LYS 44 3HZ LYS 44 -3.024 1.301 2.208 329 2HZ LYS 44 2HZ LYS 44 -2.791 1.680 3.827 330 3HZ LYS 44 1HZ LYS 44 -3.632 2.715 2.839 331 H PHE 45 H PHE 45 2.371 0.929 -2.764 332 HA PHE 45 HA PHE 45 3.972 0.784 -0.268 333 1HB PHE 45 2HB PHE 45 4.582 -0.096 -3.113 334 2HB PHE 45 1HB PHE 45 5.518 -0.502 -1.694 335 HD1 PHE 45 HD1 PHE 45 4.365 -1.719 0.160 336 HD2 PHE 45 HD2 PHE 45 2.711 -1.495 -3.747 337 HE1 PHE 45 HE1 PHE 45 2.990 -3.710 0.636 338 HE2 PHE 45 HE2 PHE 45 1.349 -3.486 -3.286 339 HZ PHE 45 HZ PHE 45 1.468 -4.574 -1.099 340 H GLY 46 H GLY 46 6.209 1.398 -0.400 341 1HA GLY 46 2HA GLY 46 6.576 4.253 -1.097 342 2HA GLY 46 1HA GLY 46 7.739 3.219 -0.263 343 H SER 47 H SER 47 7.915 1.251 -2.154 344 HA SER 47 HA SER 47 9.018 2.503 -4.619 345 1HB SER 47 2HB SER 47 11.140 1.322 -4.470 346 2HB SER 47 1HB SER 47 10.882 2.067 -2.884 347 HG SER 47 HG SER 47 9.958 0.153 -2.164 348 H GLN 48 H GLN 48 9.241 1.202 -6.462 349 HA GLN 48 HA GLN 48 7.211 -0.715 -6.869 350 1HB GLN 48 2HB GLN 48 8.585 0.404 -8.731 351 2HB GLN 48 1HB GLN 48 9.888 -0.699 -8.369 352 1HG GLN 48 2HG GLN 48 8.007 -2.638 -8.657 353 2HG GLN 48 1HG GLN 48 7.126 -1.381 -9.489 354 1HE2 GLN 48 2HE2 GLN 48 8.826 -1.964 -12.407 355 2HE2 GLN 48 1HE2 GLN 48 7.433 -1.363 -11.622 356 H LYS 49 H LYS 49 10.600 -1.325 -6.173 357 HA LYS 49 HA LYS 49 10.288 -4.148 -6.210 358 1HB LYS 49 2HB LYS 49 12.464 -2.362 -6.121 359 2HB LYS 49 1HB LYS 49 12.468 -2.965 -4.482 360 1HG LYS 49 2HG LYS 49 13.935 -4.348 -6.054 361 2HG LYS 49 1HG LYS 49 12.727 -5.266 -5.198 362 1HD LYS 49 2HD LYS 49 12.928 -5.866 -7.695 363 2HD LYS 49 1HD LYS 49 11.318 -5.547 -7.166 364 1HE LYS 49 2HE LYS 49 11.512 -3.209 -8.108 365 2HE LYS 49 1HE LYS 49 13.124 -3.618 -8.693 366 1HZ LYS 49 2HZ LYS 49 11.274 -5.666 -9.394 367 2HZ LYS 49 1HZ LYS 49 10.582 -4.279 -9.833 368 3HZ LYS 49 3HZ LYS 49 12.085 -4.690 -10.488 369 H GLU 50 H GLU 50 10.078 -1.864 -3.439 370 HA GLU 50 HA GLU 50 9.831 -3.681 -1.380 371 1HB GLU 50 2HB GLU 50 9.850 -1.399 -0.987 372 2HB GLU 50 1HB GLU 50 8.553 -1.119 -2.139 373 1HG GLU 50 2HG GLU 50 6.967 -2.334 -0.443 374 2HG GLU 50 1HG GLU 50 8.274 -2.134 0.722 375 H CYS 51 H CYS 51 7.350 -2.346 -3.389 376 HA CYS 51 HA CYS 51 5.017 -3.795 -2.817 377 1HB CYS 51 2HB CYS 51 4.541 -2.219 -4.449 378 2HB CYS 51 1HB CYS 51 6.097 -2.361 -5.185 379 H GLU 52 H GLU 52 7.157 -4.517 -5.433 380 HA GLU 52 HA GLU 52 6.194 -7.003 -6.316 381 1HB GLU 52 2HB GLU 52 8.068 -5.313 -7.096 382 2HB GLU 52 1HB GLU 52 9.139 -6.181 -6.024 383 1HG GLU 52 2HG GLU 52 8.939 -8.228 -7.390 384 2HG GLU 52 1HG GLU 52 7.638 -7.521 -8.342 385 H LYS 53 H LYS 53 8.656 -6.429 -3.883 386 HA LYS 53 HA LYS 53 8.691 -9.150 -2.995 387 1HB LYS 53 2HB LYS 53 10.557 -7.689 -2.847 388 2HB LYS 53 1HB LYS 53 9.755 -6.435 -1.999 389 1HG LYS 53 2HG LYS 53 9.804 -9.008 -0.451 390 2HG LYS 53 1HG LYS 53 11.381 -8.588 -1.027 391 1HD LYS 53 2HD LYS 53 11.345 -7.460 1.038 392 2HD LYS 53 1HD LYS 53 10.960 -6.176 -0.072 393 1HE LYS 53 2HE LYS 53 8.974 -7.764 1.595 394 2HE LYS 53 1HE LYS 53 9.516 -6.128 1.948 395 1HZ LYS 53 1HZ LYS 53 8.574 -6.236 -0.752 396 2HZ LYS 53 3HZ LYS 53 7.454 -6.964 0.221 397 3HZ LYS 53 2HZ LYS 53 7.902 -5.345 0.470 398 H VAL 54 H VAL 54 5.937 -7.549 -2.718 399 HA VAL 54 HA VAL 54 5.163 -8.595 -0.045 400 HB VAL 54 HB VAL 54 4.237 -6.251 -1.711 401 1HG1 VAL 54 2HG1 VAL 54 2.323 -7.406 -0.440 402 2HG1 VAL 54 1HG1 VAL 54 3.229 -7.283 1.046 403 3HG1 VAL 54 3HG1 VAL 54 2.614 -5.839 0.274 404 1HG2 VAL 54 2HG2 VAL 54 5.488 -6.300 1.074 405 2HG2 VAL 54 1HG2 VAL 54 6.174 -5.672 -0.438 406 3HG2 VAL 54 3HG2 VAL 54 4.830 -4.867 0.297 407 H CYS 55 H CYS 55 4.266 -7.884 -3.326 408 HA CYS 55 HA CYS 55 2.089 -9.958 -3.329 409 1HB CYS 55 2HB CYS 55 1.306 -7.835 -4.120 410 2HB CYS 55 1HB CYS 55 2.692 -7.617 -5.165 411 H ALA 56 H ALA 56 5.076 -9.273 -5.008 412 HA ALA 56 HA ALA 56 4.762 -11.556 -6.858 413 1HB ALA 56 2HB ALA 56 5.675 -9.381 -7.668 414 2HB ALA 56 1HB ALA 56 7.000 -9.528 -6.527 415 3HB ALA 56 3HB ALA 56 6.875 -10.661 -7.835 416 HA PRO 57 HA PRO 57 7.101 -13.896 -3.603 417 1HB PRO 57 2HB PRO 57 6.070 -16.351 -4.116 418 2HB PRO 57 1HB PRO 57 5.115 -15.125 -3.262 419 1HG PRO 57 2HG PRO 57 5.181 -15.630 -6.304 420 2HG PRO 57 1HG PRO 57 3.754 -15.757 -5.264 421 1HD PRO 57 2HD PRO 57 4.175 -13.417 -6.503 422 2HD PRO 57 1HD PRO 57 3.795 -13.381 -4.769 423 H VAL 58 HN VAL 58 8.924 -13.180 -5.034 424 HA VAL 58 HA VAL 58 10.145 -15.522 -6.400 425 HB VAL 58 HB VAL 58 11.325 -13.703 -7.903 426 1HG1 VAL 58 3HG1 VAL 58 9.348 -15.061 -8.709 427 2HG1 VAL 58 2HG1 VAL 58 8.264 -13.864 -8.020 428 3HG1 VAL 58 1HG1 VAL 58 9.298 -13.430 -9.379 429 1HG2 VAL 58 2HG2 VAL 58 10.829 -11.775 -6.452 430 2HG2 VAL 58 1HG2 VAL 58 10.205 -11.490 -8.068 431 3HG2 VAL 58 3HG2 VAL 58 9.118 -11.936 -6.763 No H/Q in entry = 431 Start of MODEL 6 1 1H GLU 1 1H GLU 1 -10.106 -11.266 3.362 2 2H GLU 1 3H GLU 1 -10.563 -10.555 4.852 3 3H GLU 1 2H GLU 1 -10.841 -9.712 3.451 4 HA GLU 1 HA GLU 1 -8.802 -8.804 3.460 5 1HB GLU 1 2HB GLU 1 -8.675 -10.343 6.155 6 2HB GLU 1 1HB GLU 1 -7.592 -9.043 5.708 7 1HG GLU 1 2HG GLU 1 -9.791 -8.416 7.152 8 2HG GLU 1 1HG GLU 1 -9.368 -7.353 5.827 9 H THR 2 H THR 2 -8.678 -10.437 1.647 10 HA THR 2 HA THR 2 -6.318 -12.218 2.052 11 HB THR 2 HB THR 2 -8.230 -13.150 -0.121 12 HG1 THR 2 HG1 THR 2 -9.603 -13.873 1.825 13 1HG2 THR 2 3HG2 THR 2 -7.648 -14.435 2.627 14 2HG2 THR 2 2HG2 THR 2 -8.267 -15.254 1.211 15 3HG2 THR 2 1HG2 THR 2 -6.608 -14.723 1.248 16 H ASP 3 H ASP 3 -5.362 -12.861 -0.105 17 HA ASP 3 HA ASP 3 -3.707 -11.587 -1.392 18 1HB ASP 3 2HB ASP 3 -5.042 -13.683 -2.068 19 2HB ASP 3 1HB ASP 3 -5.988 -12.619 -3.084 20 H ILE 4 H ILE 4 -4.234 -9.550 -0.600 21 HA ILE 4 HA ILE 4 -5.647 -7.411 -1.653 22 HB ILE 4 HB ILE 4 -4.085 -6.052 -0.437 23 1HG1 ILE 4 2HG1 ILE 4 -2.158 -7.481 0.803 24 2HG1 ILE 4 1HG1 ILE 4 -2.311 -8.546 -0.574 25 1HG2 ILE 4 2HG2 ILE 4 -5.716 -7.318 0.867 26 2HG2 ILE 4 1HG2 ILE 4 -4.643 -8.695 1.016 27 3HG2 ILE 4 3HG2 ILE 4 -4.243 -7.167 1.777 28 1HD1 ILE 4 2HD1 ILE 4 -1.779 -6.615 -2.117 29 2HD1 ILE 4 1HD1 ILE 4 -1.613 -5.579 -0.710 30 3HD1 ILE 4 3HD1 ILE 4 -0.505 -6.913 -0.971 31 H CYS 5 H CYS 5 -3.360 -9.074 -3.251 32 HA CYS 5 HA CYS 5 -2.427 -6.816 -4.938 33 1HB CYS 5 2HB CYS 5 -1.580 -9.649 -4.455 34 2HB CYS 5 1HB CYS 5 -0.924 -8.756 -5.807 35 H LYS 6 H LYS 6 -5.020 -8.749 -4.984 36 HA LYS 6 HA LYS 6 -5.261 -8.690 -7.997 37 1HB LYS 6 2HB LYS 6 -6.504 -10.511 -5.866 38 2HB LYS 6 1HB LYS 6 -6.914 -10.592 -7.571 39 1HG LYS 6 2HG LYS 6 -4.537 -11.121 -8.135 40 2HG LYS 6 1HG LYS 6 -4.096 -10.883 -6.449 41 1HD LYS 6 2HD LYS 6 -5.549 -12.794 -5.746 42 2HD LYS 6 1HD LYS 6 -6.130 -13.008 -7.371 43 1HE LYS 6 2HE LYS 6 -4.399 -14.692 -6.604 44 2HE LYS 6 1HE LYS 6 -3.947 -13.892 -8.099 45 1HZ LYS 6 3HZ LYS 6 -3.206 -12.334 -5.826 46 2HZ LYS 6 2HZ LYS 6 -2.680 -13.799 -5.538 47 3HZ LYS 6 1HZ LYS 6 -2.076 -12.977 -6.917 48 H LEU 7 H LEU 7 -5.680 -6.637 -6.024 49 HA LEU 7 HA LEU 7 -8.490 -6.025 -6.301 50 1HB LEU 7 2HB LEU 7 -6.366 -4.656 -4.593 51 2HB LEU 7 1HB LEU 7 -8.072 -4.346 -4.469 52 HG LEU 7 HG LEU 7 -6.633 -6.933 -3.747 53 1HD1 LEU 7 3HD1 LEU 7 -8.065 -4.766 -2.107 54 2HD1 LEU 7 2HD1 LEU 7 -7.383 -6.222 -1.433 55 3HD1 LEU 7 1HD1 LEU 7 -6.339 -5.026 -2.160 56 1HD2 LEU 7 3HD2 LEU 7 -9.594 -6.151 -3.458 57 2HD2 LEU 7 2HD2 LEU 7 -8.987 -7.347 -4.597 58 3HD2 LEU 7 1HD2 LEU 7 -8.868 -7.638 -2.876 59 HA PRO 8 HA PRO 8 -7.133 -2.197 -8.516 60 1HB PRO 8 2HB PRO 8 -9.236 -0.559 -8.096 61 2HB PRO 8 1HB PRO 8 -9.440 -1.999 -9.111 62 1HG PRO 8 2HG PRO 8 -9.954 -1.783 -6.074 63 2HG PRO 8 1HG PRO 8 -11.144 -2.230 -7.302 64 1HD PRO 8 2HD PRO 8 -9.751 -4.163 -5.975 65 2HD PRO 8 1HD PRO 8 -10.046 -4.361 -7.718 66 H LYS 9 H LYS 9 -6.833 0.095 -7.895 67 HA LYS 9 HA LYS 9 -5.683 0.105 -5.169 68 1HB LYS 9 2HB LYS 9 -4.781 1.111 -7.734 69 2HB LYS 9 1HB LYS 9 -4.864 2.492 -6.668 70 1HG LYS 9 2HG LYS 9 -3.357 -0.132 -6.228 71 2HG LYS 9 1HG LYS 9 -2.679 1.478 -6.445 72 1HD LYS 9 2HD LYS 9 -3.251 2.208 -4.262 73 2HD LYS 9 1HD LYS 9 -4.534 1.074 -4.060 74 1HE LYS 9 2HE LYS 9 -2.705 -0.720 -4.142 75 2HE LYS 9 1HE LYS 9 -1.666 0.610 -3.636 76 1HZ LYS 9 1HZ LYS 9 -4.148 0.827 -2.277 77 2HZ LYS 9 3HZ LYS 9 -3.732 -0.716 -2.074 78 3HZ LYS 9 2HZ LYS 9 -2.728 0.494 -1.515 79 H ASP 10 H ASP 10 -5.206 2.567 -4.635 80 HA ASP 10 HA ASP 10 -7.813 3.698 -3.782 81 1HB ASP 10 2HB ASP 10 -5.325 4.468 -2.246 82 2HB ASP 10 1HB ASP 10 -6.878 3.934 -1.660 83 H GLU 11 H GLU 11 -8.277 5.812 -4.489 84 HA GLU 11 HA GLU 11 -6.022 7.521 -5.385 85 1HB GLU 11 2HB GLU 11 -8.148 8.256 -7.184 86 2HB GLU 11 1HB GLU 11 -7.014 7.010 -7.625 87 1HG GLU 11 2HG GLU 11 -9.334 6.224 -7.985 88 2HG GLU 11 1HG GLU 11 -8.646 5.286 -6.684 89 H GLY 12 H GLY 12 -9.544 8.227 -5.063 90 1HA GLY 12 2HA GLY 12 -8.765 10.737 -3.624 91 2HA GLY 12 1HA GLY 12 -10.371 10.369 -4.258 92 H THR 13 H THR 13 -8.094 9.033 -1.947 93 HA THR 13 HA THR 13 -10.281 7.960 -0.250 94 HB THR 13 HB THR 13 -7.907 6.892 -0.248 95 HG1 THR 13 HG1 THR 13 -9.364 7.809 1.967 96 1HG2 THR 13 3HG2 THR 13 -6.615 9.105 0.112 97 2HG2 THR 13 2HG2 THR 13 -7.342 9.189 1.698 98 3HG2 THR 13 1HG2 THR 13 -6.273 7.868 1.304 99 H CYS 14 H CYS 14 -8.202 10.678 -0.198 100 HA CYS 14 HA CYS 14 -10.038 12.284 1.451 101 1HB CYS 14 2HB CYS 14 -7.405 11.239 2.389 102 2HB CYS 14 1HB CYS 14 -7.611 12.918 2.705 103 H ARG 15 H ARG 15 -8.250 14.465 1.780 104 HA ARG 15 HA ARG 15 -7.795 15.254 -1.107 105 1HB ARG 15 2HB ARG 15 -9.660 16.445 0.142 106 2HB ARG 15 1HB ARG 15 -8.478 17.017 1.307 107 1HG ARG 15 2HG ARG 15 -7.255 18.259 -0.505 108 2HG ARG 15 1HG ARG 15 -8.373 17.634 -1.694 109 1HD ARG 15 2HD ARG 15 -10.184 18.959 -0.754 110 2HD ARG 15 1HD ARG 15 -9.238 19.309 0.698 111 HE ARG 15 HE ARG 15 -7.588 20.558 -0.802 112 1HH1 ARG 15 1HH2 ARG 15 -8.374 19.616 -3.218 113 2HH1 ARG 15 2HH2 ARG 15 -9.265 20.905 -3.971 114 1HH2 ARG 15 2HH1 ARG 15 -9.672 22.218 -0.765 115 2HH2 ARG 15 1HH1 ARG 15 -10.084 22.548 -2.417 116 H ASP 16 H ASP 16 -6.001 13.907 0.747 117 HA ASP 16 HA ASP 16 -3.719 15.801 0.831 118 1HB ASP 16 2HB ASP 16 -2.990 14.246 2.780 119 2HB ASP 16 1HB ASP 16 -4.567 14.939 3.088 120 H PHE 17 H PHE 17 -4.598 14.066 -1.326 121 HA PHE 17 HA PHE 17 -3.405 11.906 -2.237 122 1HB PHE 17 2HB PHE 17 -3.081 14.481 -3.732 123 2HB PHE 17 1HB PHE 17 -2.824 12.920 -4.425 124 HD1 PHE 17 HD1 PHE 17 -5.492 14.977 -2.841 125 HD2 PHE 17 HD2 PHE 17 -4.549 11.508 -5.110 126 HE1 PHE 17 HE1 PHE 17 -7.894 14.615 -3.325 127 HE2 PHE 17 HE2 PHE 17 -6.919 11.159 -5.590 128 HZ PHE 17 HZ PHE 17 -8.596 12.720 -4.699 129 H ILE 18 H ILE 18 -1.568 11.117 -1.187 130 HA ILE 18 HA ILE 18 1.038 12.442 -1.933 131 HB ILE 18 HB ILE 18 2.072 11.153 -0.054 132 1HG1 ILE 18 2HG1 ILE 18 0.274 9.602 1.258 133 2HG1 ILE 18 1HG1 ILE 18 -0.364 9.445 -0.356 134 1HG2 ILE 18 3HG2 ILE 18 0.706 13.071 0.749 135 2HG2 ILE 18 2HG2 ILE 18 -0.655 11.992 0.959 136 3HG2 ILE 18 1HG2 ILE 18 0.786 11.765 1.913 137 1HD1 ILE 18 2HD1 ILE 18 2.535 8.892 0.394 138 2HD1 ILE 18 1HD1 ILE 18 1.294 7.686 0.126 139 3HD1 ILE 18 3HD1 ILE 18 1.852 8.681 -1.205 140 H LEU 19 H LEU 19 2.680 10.922 -2.917 141 HA LEU 19 HA LEU 19 1.271 9.048 -4.699 142 1HB LEU 19 2HB LEU 19 2.657 9.815 -6.270 143 2HB LEU 19 1HB LEU 19 3.101 11.030 -5.132 144 HG LEU 19 HG LEU 19 5.013 9.282 -4.312 145 1HD1 LEU 19 1HD1 LEU 19 4.492 8.248 -7.128 146 2HD1 LEU 19 3HD1 LEU 19 5.832 7.804 -6.084 147 3HD1 LEU 19 2HD1 LEU 19 4.212 7.323 -5.671 148 1HD2 LEU 19 2HD2 LEU 19 5.259 10.596 -7.048 149 2HD2 LEU 19 1HD2 LEU 19 5.547 11.397 -5.514 150 3HD2 LEU 19 3HD2 LEU 19 6.582 10.081 -6.019 151 H LYS 20 H LYS 20 1.737 6.939 -4.928 152 HA LYS 20 HA LYS 20 3.876 5.594 -3.335 153 1HB LYS 20 2HB LYS 20 0.866 5.123 -3.032 154 2HB LYS 20 1HB LYS 20 1.983 3.841 -2.604 155 1HG LYS 20 2HG LYS 20 2.401 6.600 -1.431 156 2HG LYS 20 1HG LYS 20 1.083 5.671 -0.791 157 1HD LYS 20 2HD LYS 20 3.906 4.506 -0.975 158 2HD LYS 20 1HD LYS 20 3.483 5.554 0.353 159 1HE LYS 20 2HE LYS 20 1.748 4.095 1.145 160 2HE LYS 20 1HE LYS 20 1.804 3.145 -0.319 161 1HZ LYS 20 3HZ LYS 20 4.423 3.010 0.772 162 2HZ LYS 20 2HZ LYS 20 3.367 2.754 2.063 163 3HZ LYS 20 1HZ LYS 20 3.258 1.786 0.749 164 H TRP 21 H TRP 21 3.624 3.025 -3.844 165 HA TRP 21 HA TRP 21 3.315 2.731 -6.791 166 1HB TRP 21 2HB TRP 21 5.155 1.198 -4.854 167 2HB TRP 21 1HB TRP 21 4.967 0.807 -6.543 168 HD1 TRP 21 HD1 TRP 21 6.441 3.588 -4.269 169 HE1 TRP 21 HE1 TRP 21 8.226 4.702 -5.674 170 HE3 TRP 21 HE3 TRP 21 5.769 1.200 -8.639 171 HZ2 TRP 21 HZ2 TRP 21 9.353 4.588 -8.296 172 HZ3 TRP 21 HZ3 TRP 21 7.189 1.655 -10.597 173 HH2 TRP 21 HH2 TRP 21 9.003 3.348 -10.454 174 H TYR 22 H TYR 22 2.168 0.864 -7.380 175 HA TYR 22 HA TYR 22 1.090 -0.814 -5.150 176 1HB TYR 22 2HB TYR 22 -1.146 -0.317 -5.678 177 2HB TYR 22 1HB TYR 22 -0.443 1.223 -6.105 178 HD1 TYR 22 HD2 TYR 22 -1.843 -1.887 -7.354 179 HD2 TYR 22 HD1 TYR 22 -0.306 1.904 -8.519 180 HE1 TYR 22 HE2 TYR 22 -2.784 -2.210 -9.614 181 HE2 TYR 22 HE1 TYR 22 -1.281 1.528 -10.800 182 HH TYR 22 HH TYR 22 -2.028 -1.012 -12.148 183 H TYR 23 H TYR 23 0.301 -2.818 -5.805 184 HA TYR 23 HA TYR 23 1.865 -3.949 -8.029 185 1HB TYR 23 2HB TYR 23 1.564 -5.053 -5.750 186 2HB TYR 23 1HB TYR 23 -0.123 -5.311 -6.202 187 HD1 TYR 23 HD1 TYR 23 3.292 -5.976 -7.634 188 HD2 TYR 23 HD2 TYR 23 -0.760 -7.199 -7.290 189 HE1 TYR 23 HE1 TYR 23 3.789 -8.046 -8.927 190 HE2 TYR 23 HE2 TYR 23 -0.218 -9.253 -8.582 191 HH TYR 23 HH TYR 23 2.728 -10.287 -8.969 192 H ASP 24 H ASP 24 1.137 -4.104 -9.934 193 HA ASP 24 HA ASP 24 -1.737 -3.826 -10.600 194 1HB ASP 24 2HB ASP 24 -0.162 -2.220 -11.410 195 2HB ASP 24 1HB ASP 24 0.786 -3.436 -12.213 196 HA PRO 25 HA PRO 25 -1.127 -8.441 -11.033 197 1HB PRO 25 2HB PRO 25 -3.879 -8.930 -11.252 198 2HB PRO 25 1HB PRO 25 -3.009 -8.818 -9.713 199 1HG PRO 25 2HG PRO 25 -4.415 -6.547 -11.214 200 2HG PRO 25 1HG PRO 25 -4.680 -7.043 -9.534 201 1HD PRO 25 2HD PRO 25 -3.072 -5.035 -9.943 202 2HD PRO 25 1HD PRO 25 -2.422 -6.312 -8.894 203 H ASN 26 H ASN 26 -2.318 -6.136 -13.258 204 HA ASN 26 HA ASN 26 -2.675 -8.092 -15.455 205 1HB ASN 26 2HB ASN 26 -2.980 -5.050 -15.217 206 2HB ASN 26 1HB ASN 26 -3.244 -5.913 -16.722 207 1HD2 ASN 26 2HD2 ASN 26 -6.494 -6.605 -15.715 208 2HD2 ASN 26 1HD2 ASN 26 -5.428 -6.278 -17.013 209 H THR 27 H THR 27 -0.226 -6.284 -14.133 210 HA THR 27 HA THR 27 1.592 -6.526 -16.540 211 HB THR 27 HB THR 27 3.088 -4.846 -15.406 212 HG1 THR 27 HG1 THR 27 1.082 -4.617 -13.438 213 1HG2 THR 27 3HG2 THR 27 0.183 -3.950 -15.097 214 2HG2 THR 27 2HG2 THR 27 1.579 -2.900 -15.145 215 3HG2 THR 27 1HG2 THR 27 1.096 -3.804 -16.571 216 H LYS 28 H LYS 28 1.238 -6.922 -13.202 217 HA LYS 28 HA LYS 28 1.785 -8.392 -11.648 218 1HB LYS 28 2HB LYS 28 3.647 -9.706 -13.758 219 2HB LYS 28 1HB LYS 28 3.241 -10.351 -12.178 220 1HG LYS 28 2HG LYS 28 0.793 -10.416 -12.888 221 2HG LYS 28 1HG LYS 28 1.279 -9.883 -14.468 222 1HD LYS 28 2HD LYS 28 1.147 -12.496 -14.409 223 2HD LYS 28 1HD LYS 28 2.727 -11.910 -14.846 224 1HE LYS 28 2HE LYS 28 2.772 -13.753 -13.167 225 2HE LYS 28 1HE LYS 28 3.605 -12.330 -12.598 226 1HZ LYS 28 2HZ LYS 28 0.806 -12.127 -11.940 227 2HZ LYS 28 1HZ LYS 28 1.520 -13.592 -11.364 228 3HZ LYS 28 3HZ LYS 28 2.143 -12.190 -10.907 229 H SER 29 H SER 29 2.893 -5.980 -12.159 230 HA SER 29 HA SER 29 5.356 -6.283 -10.635 231 1HB SER 29 2HB SER 29 6.538 -4.727 -12.293 232 2HB SER 29 1HB SER 29 5.711 -5.958 -13.241 233 HG SER 29 HG SER 29 3.800 -4.446 -13.231 234 H CYS 30 H CYS 30 5.654 -3.265 -10.716 235 HA CYS 30 HA CYS 30 3.185 -2.461 -9.328 236 1HB CYS 30 2HB CYS 30 6.012 -2.043 -8.370 237 2HB CYS 30 1HB CYS 30 4.558 -1.586 -7.519 238 H ALA 31 H ALA 31 2.539 -0.427 -9.719 239 HA ALA 31 HA ALA 31 4.297 1.371 -11.334 240 1HB ALA 31 1HB ALA 31 1.267 0.843 -11.598 241 2HB ALA 31 3HB ALA 31 2.160 1.997 -12.578 242 3HB ALA 31 2HB ALA 31 2.495 0.280 -12.707 243 H ARG 32 H ARG 32 3.372 3.585 -11.165 244 HA ARG 32 HA ARG 32 2.975 4.218 -8.324 245 1HB ARG 32 2HB ARG 32 4.448 5.424 -10.533 246 2HB ARG 32 1HB ARG 32 3.603 6.638 -9.568 247 1HG ARG 32 2HG ARG 32 4.668 5.729 -7.490 248 2HG ARG 32 1HG ARG 32 5.383 4.428 -8.392 249 1HD ARG 32 2HD ARG 32 6.099 7.388 -8.755 250 2HD ARG 32 1HD ARG 32 7.039 6.197 -7.871 251 HE ARG 32 HE ARG 32 7.094 4.827 -10.054 252 1HH1 ARG 32 1HH2 ARG 32 5.391 7.017 -11.088 253 2HH1 ARG 32 2HH2 ARG 32 6.408 7.753 -12.293 254 1HH2 ARG 32 2HH1 ARG 32 9.064 6.047 -10.824 255 2HH2 ARG 32 1HH1 ARG 32 8.690 7.133 -12.119 256 H PHE 33 H PHE 33 1.597 5.558 -7.495 257 HA PHE 33 HA PHE 33 -0.500 6.862 -9.158 258 1HB PHE 33 2HB PHE 33 -2.354 5.597 -8.213 259 2HB PHE 33 1HB PHE 33 -1.139 4.418 -8.609 260 HD1 PHE 33 HD1 PHE 33 0.535 3.790 -6.607 261 HD2 PHE 33 HD2 PHE 33 -3.295 5.567 -6.105 262 HE1 PHE 33 HE1 PHE 33 0.435 2.980 -4.272 263 HE2 PHE 33 HE2 PHE 33 -3.385 4.752 -3.805 264 HZ PHE 33 HZ PHE 33 -1.528 3.488 -2.885 265 H TRP 34 H TRP 34 -2.076 8.073 -7.887 266 HA TRP 34 HA TRP 34 -0.846 9.595 -5.612 267 1HB TRP 34 2HB TRP 34 -2.595 10.382 -8.044 268 2HB TRP 34 1HB TRP 34 -2.664 11.418 -6.700 269 HD1 TRP 34 HD1 TRP 34 -1.075 11.001 -9.595 270 HE1 TRP 34 HE1 TRP 34 1.141 12.390 -9.648 271 HE3 TRP 34 HE3 TRP 34 -0.532 11.970 -4.721 272 HZ2 TRP 34 HZ2 TRP 34 2.854 13.725 -7.878 273 HZ3 TRP 34 HZ3 TRP 34 1.347 13.330 -3.894 274 HH2 TRP 34 HH2 TRP 34 3.050 14.200 -5.449 275 H TYR 35 H TYR 35 -1.888 9.044 -3.623 276 HA TYR 35 HA TYR 35 -4.858 8.624 -3.805 277 1HB TYR 35 2HB TYR 35 -4.754 6.579 -2.942 278 2HB TYR 35 1HB TYR 35 -3.089 6.667 -3.430 279 HD1 TYR 35 HD1 TYR 35 -1.273 7.046 -1.660 280 HD2 TYR 35 HD2 TYR 35 -5.361 6.446 -0.635 281 HE1 TYR 35 HE1 TYR 35 -0.645 6.473 0.660 282 HE2 TYR 35 HE2 TYR 35 -4.686 5.876 1.668 283 HH TYR 35 HH TYR 35 -2.885 6.286 3.145 284 H GLY 36 H GLY 36 -2.407 9.442 -1.503 285 1HA GLY 36 2HA GLY 36 -2.919 11.523 -0.029 286 2HA GLY 36 1HA GLY 36 -4.524 10.825 0.164 287 H GLY 37 H GLY 37 -4.192 10.784 2.407 288 1HA GLY 37 2HA GLY 37 -2.254 8.621 3.245 289 2HA GLY 37 1HA GLY 37 -2.614 10.019 4.255 290 H CYS 38 H CYS 38 -4.989 10.219 4.662 291 HA CYS 38 HA CYS 38 -6.177 8.910 6.505 292 1HB CYS 38 2HB CYS 38 -7.487 9.221 3.819 293 2HB CYS 38 1HB CYS 38 -8.387 8.782 5.247 294 H GLY 39 H GLY 39 -7.007 6.994 3.578 295 1HA GLY 39 2HA GLY 39 -6.546 4.567 5.301 296 2HA GLY 39 1HA GLY 39 -8.045 4.736 4.455 297 H GLY 40 H GLY 40 -7.965 4.464 2.164 298 1HA GLY 40 2HA GLY 40 -7.438 3.096 0.240 299 2HA GLY 40 1HA GLY 40 -5.774 3.555 0.568 300 H ASN 41 H ASN 41 -6.258 0.976 -0.471 301 HA ASN 41 HA ASN 41 -6.227 -0.813 1.907 302 1HB ASN 41 2HB ASN 41 -6.581 -2.661 0.328 303 2HB ASN 41 1HB ASN 41 -7.738 -1.389 0.057 304 1HD2 ASN 41 2HD2 ASN 41 -6.951 -1.483 -3.324 305 2HD2 ASN 41 1HD2 ASN 41 -8.117 -1.357 -2.101 306 H GLU 42 H GLU 42 -4.755 -2.493 2.105 307 HA GLU 42 HA GLU 42 -2.227 -2.331 2.673 308 1HB GLU 42 2HB GLU 42 -3.103 -4.763 1.061 309 2HB GLU 42 1HB GLU 42 -2.064 -4.706 2.463 310 1HG GLU 42 2HG GLU 42 -4.247 -5.603 3.183 311 2HG GLU 42 1HG GLU 42 -4.207 -3.980 3.813 312 H ASN 43 H ASN 43 -3.061 -3.283 -0.489 313 HA ASN 43 HA ASN 43 -0.678 -3.589 -1.899 314 1HB ASN 43 2HB ASN 43 -2.959 -4.081 -2.684 315 2HB ASN 43 1HB ASN 43 -3.351 -2.418 -2.883 316 1HD2 ASN 43 2HD2 ASN 43 -2.263 -4.233 -6.049 317 2HD2 ASN 43 1HD2 ASN 43 -3.115 -4.881 -4.694 318 H LYS 44 H LYS 44 -1.183 -0.726 -0.470 319 HA LYS 44 HA LYS 44 0.250 0.939 -2.494 320 1HB LYS 44 2HB LYS 44 -0.311 2.861 -0.958 321 2HB LYS 44 1HB LYS 44 -1.731 1.994 -1.424 322 1HG LYS 44 2HG LYS 44 -1.767 0.776 0.738 323 2HG LYS 44 1HG LYS 44 -0.308 1.562 1.250 324 1HD LYS 44 2HD LYS 44 -1.346 3.799 1.025 325 2HD LYS 44 1HD LYS 44 -2.790 3.122 0.336 326 1HE LYS 44 2HE LYS 44 -1.840 2.568 3.180 327 2HE LYS 44 1HE LYS 44 -3.070 3.738 2.721 328 1HZ LYS 44 2HZ LYS 44 -3.750 1.434 1.338 329 2HZ LYS 44 1HZ LYS 44 -3.445 0.904 2.929 330 3HZ LYS 44 3HZ LYS 44 -4.523 2.141 2.663 331 H PHE 45 H PHE 45 2.356 0.692 -2.587 332 HA PHE 45 HA PHE 45 3.983 0.422 -0.101 333 1HB PHE 45 2HB PHE 45 4.610 -0.358 -2.961 334 2HB PHE 45 1HB PHE 45 5.606 -0.649 -1.549 335 HD1 PHE 45 HD2 PHE 45 4.726 -2.082 0.304 336 HD2 PHE 45 HD1 PHE 45 2.758 -1.858 -3.456 337 HE1 PHE 45 HE2 PHE 45 3.605 -4.197 0.791 338 HE2 PHE 45 HE1 PHE 45 1.630 -3.982 -2.974 339 HZ PHE 45 HZ PHE 45 2.026 -5.152 -0.867 340 H GLY 46 H GLY 46 5.975 1.598 -0.026 341 1HA GLY 46 2HA GLY 46 5.982 4.374 -1.104 342 2HA GLY 46 1HA GLY 46 7.175 3.665 -0.008 343 H SER 47 H SER 47 7.520 1.396 -1.845 344 HA SER 47 HA SER 47 8.933 2.692 -4.142 345 1HB SER 47 2HB SER 47 10.832 2.513 -2.710 346 2HB SER 47 1HB SER 47 10.417 0.885 -2.156 347 HG SER 47 HG SER 47 11.911 1.533 -4.213 348 H GLN 48 H GLN 48 9.598 1.483 -5.793 349 HA GLN 48 HA GLN 48 7.750 -0.409 -6.842 350 1HB GLN 48 2HB GLN 48 9.285 0.958 -8.256 351 2HB GLN 48 1HB GLN 48 10.679 0.108 -7.626 352 1HG GLN 48 2HG GLN 48 8.434 -1.377 -9.098 353 2HG GLN 48 1HG GLN 48 9.794 -0.705 -9.964 354 1HE2 GLN 48 2HE2 GLN 48 10.128 -4.313 -8.520 355 2HE2 GLN 48 1HE2 GLN 48 8.660 -3.483 -8.650 356 H LYS 49 H LYS 49 10.844 -0.879 -5.361 357 HA LYS 49 HA LYS 49 10.813 -3.722 -5.535 358 1HB LYS 49 2HB LYS 49 12.442 -1.629 -3.970 359 2HB LYS 49 1HB LYS 49 12.756 -3.329 -3.692 360 1HG LYS 49 2HG LYS 49 12.690 -2.301 -6.556 361 2HG LYS 49 1HG LYS 49 14.117 -2.002 -5.583 362 1HD LYS 49 2HD LYS 49 14.573 -4.342 -5.270 363 2HD LYS 49 1HD LYS 49 12.949 -4.829 -5.675 364 1HE LYS 49 2HE LYS 49 14.803 -3.561 -7.729 365 2HE LYS 49 1HE LYS 49 14.736 -5.306 -7.443 366 1HZ LYS 49 3HZ LYS 49 12.119 -4.494 -7.517 367 2HZ LYS 49 2HZ LYS 49 12.737 -3.713 -8.839 368 3HZ LYS 49 1HZ LYS 49 12.797 -5.399 -8.620 369 H GLU 50 H GLU 50 10.009 -1.525 -2.958 370 HA GLU 50 HA GLU 50 9.443 -3.215 -0.840 371 1HB GLU 50 2HB GLU 50 9.387 -0.869 -0.777 372 2HB GLU 50 1HB GLU 50 8.013 -0.810 -1.870 373 1HG GLU 50 2HG GLU 50 6.655 -2.027 -0.049 374 2HG GLU 50 1HG GLU 50 8.014 -1.819 1.024 375 H CYS 51 H CYS 51 7.251 -2.201 -3.328 376 HA CYS 51 HA CYS 51 5.049 -3.986 -2.855 377 1HB CYS 51 2HB CYS 51 4.867 -1.927 -4.174 378 2HB CYS 51 1HB CYS 51 6.021 -2.519 -5.319 379 H GLU 52 H GLU 52 7.549 -4.218 -5.371 380 HA GLU 52 HA GLU 52 6.893 -6.699 -6.550 381 1HB GLU 52 2HB GLU 52 8.520 -5.027 -7.285 382 2HB GLU 52 1HB GLU 52 9.539 -5.343 -5.908 383 1HG GLU 52 2HG GLU 52 9.708 -7.820 -6.818 384 2HG GLU 52 1HG GLU 52 9.013 -7.177 -8.298 385 H LYS 53 H LYS 53 8.998 -6.125 -3.831 386 HA LYS 53 HA LYS 53 9.663 -8.751 -3.198 387 1HB LYS 53 2HB LYS 53 10.567 -6.480 -2.215 388 2HB LYS 53 1HB LYS 53 9.144 -6.471 -1.226 389 1HG LYS 53 2HG LYS 53 11.179 -7.432 -0.007 390 2HG LYS 53 1HG LYS 53 9.750 -8.433 0.002 391 1HD LYS 53 2HD LYS 53 11.854 -9.726 -0.541 392 2HD LYS 53 1HD LYS 53 10.585 -9.904 -1.725 393 1HE LYS 53 2HE LYS 53 11.810 -7.962 -3.033 394 2HE LYS 53 1HE LYS 53 13.131 -8.222 -1.902 395 1HZ LYS 53 2HZ LYS 53 12.202 -10.737 -2.825 396 2HZ LYS 53 1HZ LYS 53 12.431 -9.758 -4.182 397 3HZ LYS 53 3HZ LYS 53 13.727 -10.054 -3.123 398 H VAL 54 H VAL 54 6.657 -7.233 -2.611 399 HA VAL 54 HA VAL 54 5.721 -9.370 -0.802 400 HB VAL 54 HB VAL 54 4.629 -6.695 -1.807 401 1HG1 VAL 54 3HG1 VAL 54 3.414 -8.643 0.247 402 2HG1 VAL 54 2HG1 VAL 54 2.793 -7.041 -0.117 403 3HG1 VAL 54 1HG1 VAL 54 2.727 -8.302 -1.332 404 1HG2 VAL 54 3HG2 VAL 54 5.585 -7.617 0.943 405 2HG2 VAL 54 2HG2 VAL 54 6.445 -6.550 -0.151 406 3HG2 VAL 54 1HG2 VAL 54 4.942 -6.025 0.563 407 H CYS 55 H CYS 55 4.736 -8.002 -3.919 408 HA CYS 55 HA CYS 55 3.437 -10.670 -4.533 409 1HB CYS 55 2HB CYS 55 2.405 -7.900 -4.995 410 2HB CYS 55 1HB CYS 55 1.719 -9.282 -5.804 411 H ALA 56 H ALA 56 5.841 -9.045 -5.682 412 HA ALA 56 HA ALA 56 6.620 -8.482 -8.008 413 1HB ALA 56 2HB ALA 56 7.015 -11.220 -7.000 414 2HB ALA 56 1HB ALA 56 8.054 -10.509 -8.230 415 3HB ALA 56 3HB ALA 56 7.962 -9.779 -6.632 416 HA PRO 57 HA PRO 57 5.406 -10.495 -11.936 417 1HB PRO 57 2HB PRO 57 7.896 -11.403 -12.812 418 2HB PRO 57 1HB PRO 57 7.317 -9.749 -13.010 419 1HG PRO 57 2HG PRO 57 8.963 -10.865 -10.656 420 2HG PRO 57 1HG PRO 57 9.398 -9.499 -11.692 421 1HD PRO 57 2HD PRO 57 8.205 -8.898 -9.426 422 2HD PRO 57 1HD PRO 57 7.480 -8.196 -10.883 423 H VAL 58 HN VAL 58 4.544 -11.999 -9.975 424 HA VAL 58 HA VAL 58 5.181 -14.808 -10.760 425 HB VAL 58 HB VAL 58 4.481 -13.798 -7.968 426 1HG1 VAL 58 2HG1 VAL 58 5.398 -16.534 -8.981 427 2HG1 VAL 58 1HG1 VAL 58 5.086 -16.145 -7.292 428 3HG1 VAL 58 3HG1 VAL 58 3.775 -16.122 -8.464 429 1HG2 VAL 58 2HG2 VAL 58 7.164 -14.790 -9.068 430 2HG2 VAL 58 1HG2 VAL 58 6.807 -13.133 -8.614 431 3HG2 VAL 58 3HG2 VAL 58 6.860 -14.381 -7.381 No H/Q in entry = 431 Start of MODEL 7 1 1H GLU 1 3H GLU 1 -6.954 -16.103 -2.211 2 2H GLU 1 2H GLU 1 -8.326 -16.870 -2.915 3 3H GLU 1 1H GLU 1 -7.748 -15.424 -3.497 4 HA GLU 1 HA GLU 1 -9.118 -14.283 -2.223 5 1HB GLU 1 2HB GLU 1 -9.889 -17.023 -1.095 6 2HB GLU 1 1HB GLU 1 -10.893 -15.584 -1.129 7 1HG GLU 1 2HG GLU 1 -10.324 -17.450 -3.457 8 2HG GLU 1 1HG GLU 1 -11.645 -16.341 -3.236 9 H THR 2 H THR 2 -7.648 -13.288 -1.417 10 HA THR 2 HA THR 2 -7.156 -11.937 0.669 11 HB THR 2 HB THR 2 -6.055 -14.672 1.684 12 HG1 THR 2 HG1 THR 2 -8.110 -14.648 2.231 13 1HG2 THR 2 3HG2 THR 2 -6.513 -11.989 3.097 14 2HG2 THR 2 2HG2 THR 2 -5.759 -13.418 3.771 15 3HG2 THR 2 1HG2 THR 2 -4.904 -12.471 2.565 16 H ASP 3 H ASP 3 -6.481 -12.092 -1.705 17 HA ASP 3 HA ASP 3 -3.575 -12.391 -2.115 18 1HB ASP 3 2HB ASP 3 -5.426 -12.055 -4.468 19 2HB ASP 3 1HB ASP 3 -4.190 -13.259 -4.200 20 H ILE 4 H ILE 4 -3.442 -10.375 -0.939 21 HA ILE 4 HA ILE 4 -4.498 -7.872 -1.388 22 HB ILE 4 HB ILE 4 -2.872 -8.165 0.332 23 1HG1 ILE 4 2HG1 ILE 4 -1.650 -6.215 -1.663 24 2HG1 ILE 4 1HG1 ILE 4 -3.082 -5.865 -0.717 25 1HG2 ILE 4 1HG2 ILE 4 -1.321 -9.835 -0.800 26 2HG2 ILE 4 3HG2 ILE 4 -0.719 -8.556 -1.839 27 3HG2 ILE 4 2HG2 ILE 4 -0.420 -8.513 -0.121 28 1HD1 ILE 4 2HD1 ILE 4 -1.735 -6.217 1.396 29 2HD1 ILE 4 1HD1 ILE 4 -0.306 -6.513 0.420 30 3HD1 ILE 4 3HD1 ILE 4 -1.059 -4.939 0.404 31 H CYS 5 H CYS 5 -2.360 -9.449 -3.420 32 HA CYS 5 HA CYS 5 -1.567 -7.345 -5.232 33 1HB CYS 5 2HB CYS 5 -1.670 -10.334 -5.586 34 2HB CYS 5 1HB CYS 5 -0.580 -9.239 -6.420 35 H LYS 6 H LYS 6 -4.528 -8.764 -4.922 36 HA LYS 6 HA LYS 6 -5.474 -8.282 -7.677 37 1HB LYS 6 2HB LYS 6 -6.040 -10.474 -7.227 38 2HB LYS 6 1HB LYS 6 -5.811 -10.311 -5.512 39 1HG LYS 6 2HG LYS 6 -7.958 -9.084 -5.371 40 2HG LYS 6 1HG LYS 6 -8.292 -9.467 -7.043 41 1HD LYS 6 2HD LYS 6 -7.791 -11.375 -4.654 42 2HD LYS 6 1HD LYS 6 -9.353 -11.137 -5.387 43 1HE LYS 6 2HE LYS 6 -8.708 -12.409 -7.371 44 2HE LYS 6 1HE LYS 6 -7.026 -12.481 -6.846 45 1HZ LYS 6 1HZ LYS 6 -8.653 -13.295 -4.694 46 2HZ LYS 6 3HZ LYS 6 -9.182 -14.195 -5.928 47 3HZ LYS 6 2HZ LYS 6 -7.575 -14.234 -5.477 48 H LEU 7 H LEU 7 -5.112 -6.600 -4.924 49 HA LEU 7 HA LEU 7 -7.741 -5.415 -4.931 50 1HB LEU 7 2HB LEU 7 -5.439 -4.990 -3.001 51 2HB LEU 7 1HB LEU 7 -7.080 -4.450 -2.755 52 HG LEU 7 HG LEU 7 -6.201 -7.368 -2.893 53 1HD1 LEU 7 1HD1 LEU 7 -5.597 -6.103 -0.800 54 2HD1 LEU 7 3HD1 LEU 7 -7.262 -5.612 -0.624 55 3HD1 LEU 7 2HD1 LEU 7 -6.838 -7.307 -0.479 56 1HD2 LEU 7 3HD2 LEU 7 -8.931 -6.116 -2.306 57 2HD2 LEU 7 2HD2 LEU 7 -8.530 -7.005 -3.768 58 3HD2 LEU 7 1HD2 LEU 7 -8.557 -7.828 -2.226 59 HA PRO 8 HA PRO 8 -6.494 -2.326 -7.676 60 1HB PRO 8 2HB PRO 8 -8.464 -0.421 -7.200 61 2HB PRO 8 1HB PRO 8 -8.775 -1.983 -7.976 62 1HG PRO 8 2HG PRO 8 -8.926 -1.256 -5.004 63 2HG PRO 8 1HG PRO 8 -10.231 -1.885 -5.994 64 1HD PRO 8 2HD PRO 8 -8.795 -3.562 -4.519 65 2HD PRO 8 1HD PRO 8 -9.090 -4.046 -6.210 66 H LYS 9 H LYS 9 -6.681 0.056 -7.895 67 HA LYS 9 HA LYS 9 -4.421 1.326 -6.389 68 1HB LYS 9 2HB LYS 9 -4.251 1.229 -8.902 69 2HB LYS 9 1HB LYS 9 -5.822 1.981 -9.056 70 1HG LYS 9 2HG LYS 9 -4.418 3.827 -7.451 71 2HG LYS 9 1HG LYS 9 -3.158 3.157 -8.452 72 1HD LYS 9 2HD LYS 9 -3.820 4.432 -10.251 73 2HD LYS 9 1HD LYS 9 -5.414 3.723 -10.231 74 1HE LYS 9 2HE LYS 9 -4.555 6.069 -8.465 75 2HE LYS 9 1HE LYS 9 -5.500 6.217 -9.938 76 1HZ LYS 9 3HZ LYS 9 -6.751 4.220 -8.359 77 2HZ LYS 9 2HZ LYS 9 -6.335 5.416 -7.337 78 3HZ LYS 9 1HZ LYS 9 -7.325 5.814 -8.506 79 H ASP 10 H ASP 10 -5.726 1.906 -4.480 80 HA ASP 10 HA ASP 10 -7.929 3.822 -5.067 81 1HB ASP 10 2HB ASP 10 -7.491 2.306 -2.590 82 2HB ASP 10 1HB ASP 10 -9.016 3.019 -3.107 83 H GLU 11 H GLU 11 -8.021 5.913 -4.287 84 HA GLU 11 HA GLU 11 -6.133 6.758 -2.137 85 1HB GLU 11 2HB GLU 11 -6.519 9.221 -3.443 86 2HB GLU 11 1HB GLU 11 -5.358 8.147 -4.138 87 1HG GLU 11 2HG GLU 11 -8.282 8.215 -5.078 88 2HG GLU 11 1HG GLU 11 -7.006 9.184 -5.752 89 H GLY 12 H GLY 12 -9.014 8.347 -3.487 90 1HA GLY 12 2HA GLY 12 -11.058 8.220 -1.857 91 2HA GLY 12 1HA GLY 12 -9.951 8.894 -0.680 92 H THR 13 H THR 13 -10.417 10.936 -0.319 93 HA THR 13 HA THR 13 -11.328 12.734 -2.561 94 HB THR 13 HB THR 13 -12.542 14.056 -0.698 95 HG1 THR 13 HG1 THR 13 -12.641 12.241 1.110 96 1HG2 THR 13 1HG2 THR 13 -13.176 11.047 -0.626 97 2HG2 THR 13 3HG2 THR 13 -14.290 12.359 -0.262 98 3HG2 THR 13 2HG2 THR 13 -13.750 12.092 -1.908 99 H CYS 14 H CYS 14 -9.828 12.809 0.528 100 HA CYS 14 HA CYS 14 -8.726 15.048 1.198 101 1HB CYS 14 2HB CYS 14 -7.155 12.538 0.730 102 2HB CYS 14 1HB CYS 14 -6.633 13.832 1.767 103 H ARG 15 H ARG 15 -8.814 16.420 -0.584 104 HA ARG 15 HA ARG 15 -7.694 17.067 -2.830 105 1HB ARG 15 2HB ARG 15 -8.768 18.819 -1.506 106 2HB ARG 15 1HB ARG 15 -7.563 18.647 -0.254 107 1HG ARG 15 2HG ARG 15 -7.132 20.745 -1.411 108 2HG ARG 15 1HG ARG 15 -5.811 19.652 -1.545 109 1HD ARG 15 2HD ARG 15 -5.934 20.502 -3.674 110 2HD ARG 15 1HD ARG 15 -6.764 18.966 -3.863 111 HE ARG 15 HE ARG 15 -8.243 21.590 -3.394 112 1HH1 ARG 15 2HH1 ARG 15 -9.872 19.547 -3.016 113 2HH1 ARG 15 1HH1 ARG 15 -10.657 19.203 -4.531 114 1HH2 ARG 15 1HH2 ARG 15 -7.995 20.881 -6.034 115 2HH2 ARG 15 2HH2 ARG 15 -9.461 20.043 -6.434 116 H ASP 16 H ASP 16 -5.622 16.961 -0.145 117 HA ASP 16 HA ASP 16 -3.159 17.470 -1.701 118 1HB ASP 16 2HB ASP 16 -3.668 17.250 1.310 119 2HB ASP 16 1HB ASP 16 -2.319 18.056 0.525 120 H PHE 17 H PHE 17 -3.878 15.314 -2.605 121 HA PHE 17 HA PHE 17 -3.452 12.770 -1.521 122 1HB PHE 17 2HB PHE 17 -2.916 13.712 -4.357 123 2HB PHE 17 1HB PHE 17 -3.043 12.029 -3.895 124 HD1 PHE 17 HD1 PHE 17 -4.932 15.196 -4.117 125 HD2 PHE 17 HD2 PHE 17 -5.166 11.007 -3.477 126 HE1 PHE 17 HE1 PHE 17 -7.371 15.304 -4.310 127 HE2 PHE 17 HE2 PHE 17 -7.617 11.113 -3.680 128 HZ PHE 17 HZ PHE 17 -8.717 13.262 -4.091 129 H ILE 18 H ILE 18 -1.758 11.186 -1.641 130 HA ILE 18 HA ILE 18 1.045 12.290 -1.775 131 HB ILE 18 HB ILE 18 1.677 11.162 0.224 132 1HG1 ILE 18 2HG1 ILE 18 0.022 9.310 1.238 133 2HG1 ILE 18 1HG1 ILE 18 -0.436 9.114 -0.433 134 1HG2 ILE 18 1HG2 ILE 18 -0.004 12.807 0.921 135 2HG2 ILE 18 3HG2 ILE 18 -1.270 11.620 0.778 136 3HG2 ILE 18 2HG2 ILE 18 -0.032 11.409 1.978 137 1HD1 ILE 18 2HD1 ILE 18 2.434 9.004 0.637 138 2HD1 ILE 18 1HD1 ILE 18 1.492 7.612 0.182 139 3HD1 ILE 18 3HD1 ILE 18 2.014 8.743 -1.041 140 H LEU 19 H LEU 19 2.613 10.773 -2.637 141 HA LEU 19 HA LEU 19 1.350 8.863 -4.522 142 1HB LEU 19 2HB LEU 19 4.049 10.204 -4.419 143 2HB LEU 19 1HB LEU 19 3.856 8.834 -5.465 144 HG LEU 19 HG LEU 19 2.243 11.482 -5.702 145 1HD1 LEU 19 1HD1 LEU 19 4.577 11.652 -6.515 146 2HD1 LEU 19 3HD1 LEU 19 4.296 10.283 -7.587 147 3HD1 LEU 19 2HD1 LEU 19 3.391 11.760 -7.791 148 1HD2 LEU 19 2HD2 LEU 19 2.203 9.048 -7.556 149 2HD2 LEU 19 1HD2 LEU 19 0.900 9.488 -6.474 150 3HD2 LEU 19 3HD2 LEU 19 1.345 10.556 -7.768 151 H LYS 20 H LYS 20 1.438 6.745 -4.440 152 HA LYS 20 HA LYS 20 3.580 5.279 -2.890 153 1HB LYS 20 2HB LYS 20 0.585 5.156 -2.653 154 2HB LYS 20 1HB LYS 20 1.369 3.618 -2.603 155 1HG LYS 20 2HG LYS 20 2.175 5.882 -0.706 156 2HG LYS 20 1HG LYS 20 0.861 4.781 -0.320 157 1HD LYS 20 2HD LYS 20 2.627 2.908 -0.885 158 2HD LYS 20 1HD LYS 20 3.825 4.173 -0.644 159 1HE LYS 20 2HE LYS 20 3.047 4.422 1.715 160 2HE LYS 20 1HE LYS 20 1.840 3.169 1.442 161 1HZ LYS 20 1HZ LYS 20 4.415 2.193 0.592 162 2HZ LYS 20 3HZ LYS 20 4.561 2.679 2.167 163 3HZ LYS 20 2HZ LYS 20 3.397 1.545 1.692 164 H TRP 21 H TRP 21 3.291 2.784 -3.671 165 HA TRP 21 HA TRP 21 2.944 2.622 -6.622 166 1HB TRP 21 2HB TRP 21 4.934 1.154 -4.790 167 2HB TRP 21 1HB TRP 21 4.671 0.722 -6.466 168 HD1 TRP 21 HD1 TRP 21 6.081 3.540 -4.281 169 HE1 TRP 21 HE1 TRP 21 7.654 4.873 -5.864 170 HE3 TRP 21 HE3 TRP 21 5.209 1.202 -8.600 171 HZ2 TRP 21 HZ2 TRP 21 8.490 4.899 -8.603 172 HZ3 TRP 21 HZ3 TRP 21 6.371 1.813 -10.691 173 HH2 TRP 21 HH2 TRP 21 8.010 3.663 -10.698 174 H TYR 22 H TYR 22 1.594 0.899 -7.198 175 HA TYR 22 HA TYR 22 0.695 -0.938 -4.960 176 1HB TYR 22 2HB TYR 22 -1.571 -0.560 -5.515 177 2HB TYR 22 1HB TYR 22 -0.921 1.030 -5.736 178 HD1 TYR 22 HD2 TYR 22 -0.498 1.902 -8.140 179 HD2 TYR 22 HD1 TYR 22 -2.387 -1.807 -7.313 180 HE1 TYR 22 HE2 TYR 22 -1.406 1.785 -10.468 181 HE2 TYR 22 HE1 TYR 22 -3.258 -1.889 -9.623 182 HH TYR 22 HH TYR 22 -2.250 -0.493 -12.028 183 H TYR 23 H TYR 23 0.185 -3.014 -5.797 184 HA TYR 23 HA TYR 23 1.709 -3.864 -8.149 185 1HB TYR 23 2HB TYR 23 1.479 -5.221 -6.021 186 2HB TYR 23 1HB TYR 23 -0.230 -5.423 -6.369 187 HD1 TYR 23 HD1 TYR 23 3.120 -6.008 -7.916 188 HD2 TYR 23 HD2 TYR 23 -0.978 -7.068 -7.831 189 HE1 TYR 23 HE1 TYR 23 3.549 -7.855 -9.501 190 HE2 TYR 23 HE2 TYR 23 -0.533 -8.914 -9.425 191 HH TYR 23 HH TYR 23 2.699 -9.454 -10.684 192 H ASP 24 H ASP 24 0.880 -3.959 -10.117 193 HA ASP 24 HA ASP 24 -2.025 -3.519 -10.596 194 1HB ASP 24 2HB ASP 24 -0.468 -1.835 -11.209 195 2HB ASP 24 1HB ASP 24 0.379 -2.903 -12.274 196 HA PRO 25 HA PRO 25 -1.847 -8.043 -11.938 197 1HB PRO 25 2HB PRO 25 -4.696 -7.745 -12.319 198 2HB PRO 25 1HB PRO 25 -3.869 -8.551 -10.988 199 1HG PRO 25 2HG PRO 25 -4.744 -5.621 -11.159 200 2HG PRO 25 1HG PRO 25 -4.913 -6.735 -9.792 201 1HD PRO 25 2HD PRO 25 -2.955 -4.999 -9.679 202 2HD PRO 25 1HD PRO 25 -2.503 -6.685 -9.367 203 H ASN 26 H ASN 26 -3.110 -5.188 -13.611 204 HA ASN 26 HA ASN 26 -3.575 -6.432 -16.180 205 1HB ASN 26 2HB ASN 26 -2.810 -3.519 -15.517 206 2HB ASN 26 1HB ASN 26 -3.506 -4.074 -17.026 207 1HD2 ASN 26 2HD2 ASN 26 -5.934 -3.355 -14.019 208 2HD2 ASN 26 1HD2 ASN 26 -4.256 -3.031 -13.896 209 H THR 27 H THR 27 -0.841 -5.030 -14.640 210 HA THR 27 HA THR 27 0.994 -5.579 -16.959 211 HB THR 27 HB THR 27 2.688 -4.239 -15.717 212 HG1 THR 27 HG1 THR 27 0.957 -3.860 -13.572 213 1HG2 THR 27 3HG2 THR 27 -0.056 -3.041 -15.009 214 2HG2 THR 27 2HG2 THR 27 1.460 -2.183 -15.103 215 3HG2 THR 27 1HG2 THR 27 0.714 -2.809 -16.559 216 H LYS 28 H LYS 28 0.858 -6.139 -13.588 217 HA LYS 28 HA LYS 28 1.012 -7.899 -12.242 218 1HB LYS 28 2HB LYS 28 2.421 -9.299 -14.671 219 2HB LYS 28 1HB LYS 28 2.313 -10.048 -13.107 220 1HG LYS 28 2HG LYS 28 0.065 -10.306 -13.064 221 2HG LYS 28 1HG LYS 28 -0.262 -8.909 -14.022 222 1HD LYS 28 2HD LYS 28 0.873 -11.565 -15.171 223 2HD LYS 28 1HD LYS 28 -0.823 -11.184 -15.238 224 1HE LYS 28 2HE LYS 28 1.448 -9.716 -16.622 225 2HE LYS 28 1HE LYS 28 0.186 -10.673 -17.372 226 1HZ LYS 28 3HZ LYS 28 -1.085 -8.718 -15.724 227 2HZ LYS 28 2HZ LYS 28 0.084 -7.950 -16.634 228 3HZ LYS 28 1HZ LYS 28 -1.136 -8.765 -17.402 229 H SER 29 H SER 29 2.562 -5.721 -12.669 230 HA SER 29 HA SER 29 4.923 -6.369 -11.022 231 1HB SER 29 2HB SER 29 5.639 -5.864 -13.413 232 2HB SER 29 1HB SER 29 4.777 -4.314 -13.328 233 HG SER 29 HG SER 29 7.254 -4.826 -12.349 234 H CYS 30 H CYS 30 5.406 -3.377 -10.908 235 HA CYS 30 HA CYS 30 2.955 -2.493 -9.396 236 1HB CYS 30 2HB CYS 30 5.839 -2.170 -8.600 237 2HB CYS 30 1HB CYS 30 4.453 -1.652 -7.668 238 H ALA 31 H ALA 31 2.356 -0.393 -9.461 239 HA ALA 31 HA ALA 31 4.009 1.522 -11.030 240 1HB ALA 31 2HB ALA 31 1.030 0.948 -11.414 241 2HB ALA 31 1HB ALA 31 1.926 2.196 -12.266 242 3HB ALA 31 3HB ALA 31 2.304 0.501 -12.533 243 H ARG 32 H ARG 32 3.482 3.624 -10.678 244 HA ARG 32 HA ARG 32 2.855 4.259 -7.928 245 1HB ARG 32 2HB ARG 32 4.771 5.003 -9.321 246 2HB ARG 32 1HB ARG 32 3.634 5.978 -10.199 247 1HG ARG 32 2HG ARG 32 3.332 7.630 -8.746 248 2HG ARG 32 1HG ARG 32 3.272 6.577 -7.355 249 1HD ARG 32 2HD ARG 32 5.904 7.167 -8.725 250 2HD ARG 32 1HD ARG 32 5.238 8.276 -7.518 251 HE ARG 32 HE ARG 32 5.725 5.311 -6.973 252 1HH1 ARG 32 2HH1 ARG 32 4.043 6.111 -5.235 253 2HH1 ARG 32 1HH1 ARG 32 4.912 6.741 -3.856 254 1HH2 ARG 32 1HH2 ARG 32 7.617 7.213 -5.971 255 2HH2 ARG 32 2HH2 ARG 32 7.104 7.361 -4.313 256 H PHE 33 H PHE 33 1.392 5.514 -7.108 257 HA PHE 33 HA PHE 33 -0.640 6.902 -8.762 258 1HB PHE 33 2HB PHE 33 -2.503 5.569 -8.036 259 2HB PHE 33 1HB PHE 33 -1.252 4.428 -8.466 260 HD1 PHE 33 HD2 PHE 33 0.223 3.470 -6.489 261 HD2 PHE 33 HD1 PHE 33 -3.482 5.505 -5.931 262 HE1 PHE 33 HE2 PHE 33 -0.031 2.461 -4.238 263 HE2 PHE 33 HE1 PHE 33 -3.714 4.491 -3.711 264 HZ PHE 33 HZ PHE 33 -1.982 2.976 -2.870 265 H TRP 34 H TRP 34 -2.071 8.338 -7.678 266 HA TRP 34 HA TRP 34 -0.815 9.666 -5.405 267 1HB TRP 34 2HB TRP 34 -3.269 10.115 -7.238 268 2HB TRP 34 1HB TRP 34 -3.208 10.980 -5.780 269 HD1 TRP 34 HD1 TRP 34 -2.597 11.444 -8.987 270 HE1 TRP 34 HE1 TRP 34 -0.829 13.319 -9.381 271 HE3 TRP 34 HE3 TRP 34 -0.535 11.699 -4.438 272 HZ2 TRP 34 HZ2 TRP 34 1.138 14.732 -7.959 273 HZ3 TRP 34 HZ3 TRP 34 1.240 13.321 -3.917 274 HH2 TRP 34 HH2 TRP 34 2.094 14.836 -5.668 275 H TYR 35 H TYR 35 -1.466 7.334 -4.315 276 HA TYR 35 HA TYR 35 -3.538 6.588 -2.908 277 1HB TYR 35 2HB TYR 35 -1.348 5.677 -2.594 278 2HB TYR 35 1HB TYR 35 -0.738 7.143 -1.842 279 HD1 TYR 35 HD2 TYR 35 -3.899 5.200 -1.311 280 HD2 TYR 35 HD1 TYR 35 -0.268 6.591 0.393 281 HE1 TYR 35 HE2 TYR 35 -4.578 4.337 0.855 282 HE2 TYR 35 HE1 TYR 35 -0.956 5.704 2.580 283 HH TYR 35 HH TYR 35 -4.047 4.974 3.255 284 H GLY 36 H GLY 36 -1.881 9.392 -1.627 285 1HA GLY 36 2HA GLY 36 -2.939 11.232 -0.278 286 2HA GLY 36 1HA GLY 36 -4.454 10.395 -0.476 287 H GLY 37 H GLY 37 -4.079 8.086 0.658 288 1HA GLY 37 2HA GLY 37 -3.059 7.152 2.884 289 2HA GLY 37 1HA GLY 37 -3.507 8.703 3.563 290 H CYS 38 H CYS 38 -5.602 9.335 3.136 291 HA CYS 38 HA CYS 38 -7.563 8.596 4.591 292 1HB CYS 38 2HB CYS 38 -7.791 9.462 1.711 293 2HB CYS 38 1HB CYS 38 -9.040 9.683 2.924 294 H GLY 39 H GLY 39 -8.262 7.151 1.320 295 1HA GLY 39 2HA GLY 39 -9.440 4.851 2.858 296 2HA GLY 39 1HA GLY 39 -10.454 5.717 1.750 297 H GLY 40 H GLY 40 -7.259 4.186 1.519 298 1HA GLY 40 2HA GLY 40 -8.353 2.710 -0.882 299 2HA GLY 40 1HA GLY 40 -6.690 3.282 -0.846 300 H ASN 41 H ASN 41 -7.688 0.528 -1.315 301 HA ASN 41 HA ASN 41 -7.399 -1.088 1.031 302 1HB ASN 41 2HB ASN 41 -7.551 -2.885 -0.498 303 2HB ASN 41 1HB ASN 41 -8.244 -1.577 -1.445 304 1HD2 ASN 41 2HD2 ASN 41 -5.762 -1.863 -3.871 305 2HD2 ASN 41 1HD2 ASN 41 -7.245 -1.167 -3.431 306 H GLU 42 H GLU 42 -5.778 -2.786 1.302 307 HA GLU 42 HA GLU 42 -3.345 -1.980 2.364 308 1HB GLU 42 2HB GLU 42 -4.566 -4.583 1.551 309 2HB GLU 42 1HB GLU 42 -2.982 -4.499 2.316 310 1HG GLU 42 2HG GLU 42 -5.133 -4.587 3.928 311 2HG GLU 42 1HG GLU 42 -3.864 -3.465 4.343 312 H ASN 43 H ASN 43 -3.683 -2.732 -0.978 313 HA ASN 43 HA ASN 43 -0.876 -3.305 -1.530 314 1HB ASN 43 2HB ASN 43 -2.779 -4.215 -2.696 315 2HB ASN 43 1HB ASN 43 -3.337 -2.637 -3.227 316 1HD2 ASN 43 2HD2 ASN 43 -1.706 -3.508 -6.208 317 2HD2 ASN 43 1HD2 ASN 43 -3.205 -3.401 -5.416 318 H LYS 44 H LYS 44 -0.413 -1.438 -0.224 319 HA LYS 44 HA LYS 44 0.083 1.014 -1.865 320 1HB LYS 44 2HB LYS 44 0.054 1.235 1.171 321 2HB LYS 44 1HB LYS 44 -0.359 2.466 0.000 322 1HG LYS 44 2HG LYS 44 -2.619 1.747 -0.154 323 2HG LYS 44 1HG LYS 44 -2.228 0.130 0.417 324 1HD LYS 44 2HD LYS 44 -1.594 0.984 2.652 325 2HD LYS 44 1HD LYS 44 -1.702 2.638 2.116 326 1HE LYS 44 2HE LYS 44 -3.516 2.113 3.670 327 2HE LYS 44 1HE LYS 44 -4.157 2.499 2.081 328 1HZ LYS 44 2HZ LYS 44 -3.712 -0.210 1.993 329 2HZ LYS 44 1HZ LYS 44 -4.469 -0.001 3.487 330 3HZ LYS 44 3HZ LYS 44 -5.160 0.574 2.099 331 H PHE 45 H PHE 45 2.307 0.413 -2.476 332 HA PHE 45 HA PHE 45 4.293 0.247 -0.263 333 1HB PHE 45 2HB PHE 45 4.650 -0.338 -3.211 334 2HB PHE 45 1HB PHE 45 5.771 -0.687 -1.896 335 HD1 PHE 45 HD2 PHE 45 5.146 -2.334 -0.162 336 HD2 PHE 45 HD1 PHE 45 2.627 -1.681 -3.522 337 HE1 PHE 45 HE2 PHE 45 3.954 -4.422 0.328 338 HE2 PHE 45 HE1 PHE 45 1.444 -3.771 -3.034 339 HZ PHE 45 HZ PHE 45 2.088 -5.138 -1.126 340 H GLY 46 H GLY 46 6.164 1.582 -0.148 341 1HA GLY 46 2HA GLY 46 5.960 4.365 -1.052 342 2HA GLY 46 1HA GLY 46 7.310 3.644 -0.172 343 H SER 47 H SER 47 7.769 1.593 -1.981 344 HA SER 47 HA SER 47 8.681 2.984 -4.456 345 1HB SER 47 2HB SER 47 10.377 1.032 -2.956 346 2HB SER 47 1HB SER 47 10.879 1.992 -4.368 347 HG SER 47 HG SER 47 9.925 3.591 -2.375 348 H GLN 48 H GLN 48 8.882 1.736 -6.401 349 HA GLN 48 HA GLN 48 7.222 -0.450 -6.826 350 1HB GLN 48 2HB GLN 48 8.416 0.653 -8.694 351 2HB GLN 48 1HB GLN 48 9.976 0.178 -8.065 352 1HG GLN 48 2HG GLN 48 8.946 -2.356 -8.400 353 2HG GLN 48 1HG GLN 48 7.916 -1.501 -9.529 354 1HE2 GLN 48 2HE2 GLN 48 11.506 -2.435 -10.712 355 2HE2 GLN 48 1HE2 GLN 48 10.808 -3.137 -9.326 356 H LYS 49 H LYS 49 10.565 -0.599 -6.103 357 HA LYS 49 HA LYS 49 10.882 -3.329 -5.733 358 1HB LYS 49 2HB LYS 49 13.057 -2.615 -4.438 359 2HB LYS 49 1HB LYS 49 12.841 -1.703 -5.914 360 1HG LYS 49 2HG LYS 49 12.022 0.235 -4.772 361 2HG LYS 49 1HG LYS 49 11.545 -0.677 -3.341 362 1HD LYS 49 2HD LYS 49 13.944 -0.946 -2.690 363 2HD LYS 49 1HD LYS 49 14.456 -0.182 -4.169 364 1HE LYS 49 2HE LYS 49 14.640 1.402 -2.290 365 2HE LYS 49 1HE LYS 49 13.472 1.984 -3.458 366 1HZ LYS 49 2HZ LYS 49 12.095 0.327 -1.567 367 2HZ LYS 49 1HZ LYS 49 12.989 1.462 -0.714 368 3HZ LYS 49 3HZ LYS 49 11.893 1.973 -1.873 369 H GLU 50 H GLU 50 9.044 -1.701 -3.688 370 HA GLU 50 HA GLU 50 9.574 -3.261 -1.340 371 1HB GLU 50 2HB GLU 50 9.363 -0.856 -1.383 372 2HB GLU 50 1HB GLU 50 7.751 -1.006 -2.055 373 1HG GLU 50 2HG GLU 50 7.114 -2.129 0.214 374 2HG GLU 50 1HG GLU 50 8.673 -1.605 0.793 375 H CYS 51 H CYS 51 7.130 -2.247 -3.483 376 HA CYS 51 HA CYS 51 5.044 -4.128 -3.082 377 1HB CYS 51 2HB CYS 51 4.791 -2.030 -4.335 378 2HB CYS 51 1HB CYS 51 5.899 -2.592 -5.541 379 H GLU 52 H GLU 52 7.634 -4.307 -5.584 380 HA GLU 52 HA GLU 52 6.685 -6.847 -6.629 381 1HB GLU 52 2HB GLU 52 8.692 -6.702 -7.913 382 2HB GLU 52 1HB GLU 52 8.536 -5.032 -7.402 383 1HG GLU 52 2HG GLU 52 10.071 -5.686 -5.392 384 2HG GLU 52 1HG GLU 52 10.392 -7.155 -6.333 385 H LYS 53 H LYS 53 8.903 -6.135 -4.148 386 HA LYS 53 HA LYS 53 9.495 -8.909 -3.558 387 1HB LYS 53 2HB LYS 53 10.143 -6.237 -2.403 388 2HB LYS 53 1HB LYS 53 9.784 -7.334 -1.120 389 1HG LYS 53 2HG LYS 53 11.682 -8.542 -1.346 390 2HG LYS 53 1HG LYS 53 11.519 -8.731 -3.070 391 1HD LYS 53 2HD LYS 53 12.544 -6.200 -1.664 392 2HD LYS 53 1HD LYS 53 13.611 -7.390 -2.379 393 1HE LYS 53 2HE LYS 53 11.461 -5.874 -3.913 394 2HE LYS 53 1HE LYS 53 13.124 -5.337 -3.846 395 1HZ LYS 53 1HZ LYS 53 13.048 -8.115 -4.607 396 2HZ LYS 53 3HZ LYS 53 11.960 -7.163 -5.533 397 3HZ LYS 53 2HZ LYS 53 13.478 -6.716 -5.545 398 H VAL 54 H VAL 54 6.609 -7.411 -3.097 399 HA VAL 54 HA VAL 54 5.757 -9.260 -0.927 400 HB VAL 54 HB VAL 54 4.843 -6.574 -1.972 401 1HG1 VAL 54 3HG1 VAL 54 3.625 -8.310 0.276 402 2HG1 VAL 54 2HG1 VAL 54 3.116 -6.670 -0.079 403 3HG1 VAL 54 1HG1 VAL 54 2.829 -7.947 -1.247 404 1HG2 VAL 54 1HG2 VAL 54 5.922 -7.497 0.745 405 2HG2 VAL 54 3HG2 VAL 54 6.796 -6.561 -0.448 406 3HG2 VAL 54 2HG2 VAL 54 5.441 -5.849 0.386 407 H CYS 55 H CYS 55 4.841 -8.009 -4.083 408 HA CYS 55 HA CYS 55 2.900 -10.283 -4.419 409 1HB CYS 55 2HB CYS 55 3.052 -7.536 -5.654 410 2HB CYS 55 1HB CYS 55 2.012 -8.784 -6.299 411 H ALA 56 H ALA 56 5.963 -9.465 -5.661 412 HA ALA 56 HA ALA 56 5.498 -10.959 -8.200 413 1HB ALA 56 2HB ALA 56 6.757 -8.746 -8.180 414 2HB ALA 56 1HB ALA 56 7.957 -9.486 -7.133 415 3HB ALA 56 3HB ALA 56 7.789 -10.048 -8.768 416 HA PRO 57 HA PRO 57 7.996 -14.313 -6.449 417 1HB PRO 57 2HB PRO 57 8.495 -15.828 -8.556 418 2HB PRO 57 1HB PRO 57 6.818 -15.384 -8.194 419 1HG PRO 57 2HG PRO 57 8.713 -14.136 -10.254 420 2HG PRO 57 1HG PRO 57 7.000 -14.511 -10.465 421 1HD PRO 57 2HD PRO 57 8.120 -11.966 -9.653 422 2HD PRO 57 1HD PRO 57 6.386 -12.389 -9.616 423 H VAL 58 HN VAL 58 10.036 -15.431 -6.377 424 HA VAL 58 HA VAL 58 12.426 -14.158 -7.454 425 HB VAL 58 HB VAL 58 13.395 -14.255 -4.997 426 1HG1 VAL 58 3HG1 VAL 58 12.679 -12.073 -6.050 427 2HG1 VAL 58 2HG1 VAL 58 11.045 -12.332 -5.464 428 3HG1 VAL 58 1HG1 VAL 58 12.353 -12.069 -4.314 429 1HG2 VAL 58 3HG2 VAL 58 11.609 -15.680 -4.089 430 2HG2 VAL 58 2HG2 VAL 58 11.736 -14.197 -3.148 431 3HG2 VAL 58 1HG2 VAL 58 10.426 -14.400 -4.307 No H/Q in entry = 431 Start of MODEL 8 1 1H GLU 1 3H GLU 1 -6.651 -17.854 -4.624 2 2H GLU 1 2H GLU 1 -5.958 -19.330 -4.156 3 3H GLU 1 1H GLU 1 -7.190 -18.718 -3.239 4 HA GLU 1 HA GLU 1 -5.783 -17.582 -1.955 5 1HB GLU 1 2HB GLU 1 -3.801 -19.144 -3.721 6 2HB GLU 1 1HB GLU 1 -3.332 -18.305 -2.255 7 1HG GLU 1 2HG GLU 1 -4.070 -20.876 -1.994 8 2HG GLU 1 1HG GLU 1 -4.750 -19.761 -0.830 9 H THR 2 H THR 2 -6.679 -15.634 -3.043 10 HA THR 2 HA THR 2 -4.469 -13.909 -4.077 11 HB THR 2 HB THR 2 -5.963 -12.903 -5.834 12 HG1 THR 2 HG1 THR 2 -7.780 -14.003 -4.459 13 1HG2 THR 2 2HG2 THR 2 -4.537 -14.916 -6.391 14 2HG2 THR 2 1HG2 THR 2 -5.915 -15.934 -5.991 15 3HG2 THR 2 3HG2 THR 2 -6.021 -14.807 -7.334 16 H ASP 3 H ASP 3 -4.466 -12.867 -2.131 17 HA ASP 3 HA ASP 3 -6.865 -11.360 -1.213 18 1HB ASP 3 2HB ASP 3 -5.211 -11.265 0.871 19 2HB ASP 3 1HB ASP 3 -5.903 -12.819 0.450 20 H ILE 4 H ILE 4 -4.028 -9.980 -0.185 21 HA ILE 4 HA ILE 4 -4.634 -7.400 -1.033 22 HB ILE 4 HB ILE 4 -2.963 -7.693 0.646 23 1HG1 ILE 4 2HG1 ILE 4 -1.709 -6.349 -1.804 24 2HG1 ILE 4 1HG1 ILE 4 -2.857 -5.616 -0.705 25 1HG2 ILE 4 2HG2 ILE 4 -1.786 -9.760 -0.151 26 2HG2 ILE 4 1HG2 ILE 4 -1.046 -8.867 -1.466 27 3HG2 ILE 4 3HG2 ILE 4 -0.632 -8.522 0.198 28 1HD1 ILE 4 2HD1 ILE 4 -1.190 -5.899 1.173 29 2HD1 ILE 4 1HD1 ILE 4 -0.038 -6.569 0.037 30 3HD1 ILE 4 3HD1 ILE 4 -0.549 -4.899 -0.119 31 H CYS 5 H CYS 5 -2.916 -9.739 -2.750 32 HA CYS 5 HA CYS 5 -1.904 -8.167 -4.966 33 1HB CYS 5 2HB CYS 5 -2.575 -11.100 -4.722 34 2HB CYS 5 1HB CYS 5 -1.683 -10.419 -6.062 35 H LYS 6 H LYS 6 -5.060 -8.926 -4.237 36 HA LYS 6 HA LYS 6 -6.038 -8.580 -7.013 37 1HB LYS 6 2HB LYS 6 -6.882 -10.648 -6.383 38 2HB LYS 6 1HB LYS 6 -6.637 -10.361 -4.675 39 1HG LYS 6 2HG LYS 6 -8.550 -8.975 -4.501 40 2HG LYS 6 1HG LYS 6 -8.913 -9.080 -6.205 41 1HD LYS 6 2HD LYS 6 -8.961 -11.321 -4.082 42 2HD LYS 6 1HD LYS 6 -10.375 -10.653 -4.827 43 1HE LYS 6 2HE LYS 6 -8.241 -12.284 -6.260 44 2HE LYS 6 1HE LYS 6 -9.825 -12.876 -5.785 45 1HZ LYS 6 2HZ LYS 6 -10.120 -10.393 -7.089 46 2HZ LYS 6 1HZ LYS 6 -9.145 -11.354 -8.078 47 3HZ LYS 6 3HZ LYS 6 -10.697 -11.898 -7.641 48 H LEU 7 H LEU 7 -5.427 -6.686 -4.422 49 HA LEU 7 HA LEU 7 -7.905 -5.201 -4.609 50 1HB LEU 7 2HB LEU 7 -5.596 -4.863 -2.639 51 2HB LEU 7 1HB LEU 7 -7.167 -4.121 -2.481 52 HG LEU 7 HG LEU 7 -6.567 -7.105 -2.310 53 1HD1 LEU 7 1HD1 LEU 7 -5.960 -5.719 -0.309 54 2HD1 LEU 7 3HD1 LEU 7 -7.579 -5.078 -0.256 55 3HD1 LEU 7 2HD1 LEU 7 -7.300 -6.775 0.040 56 1HD2 LEU 7 1HD2 LEU 7 -9.216 -5.590 -2.001 57 2HD2 LEU 7 3HD2 LEU 7 -8.827 -6.658 -3.343 58 3HD2 LEU 7 2HD2 LEU 7 -8.980 -7.306 -1.725 59 HA PRO 8 HA PRO 8 -6.063 -2.488 -7.262 60 1HB PRO 8 2HB PRO 8 -8.254 -0.905 -7.615 61 2HB PRO 8 1HB PRO 8 -8.307 -2.654 -7.840 62 1HG PRO 8 2HG PRO 8 -9.442 -0.984 -5.615 63 2HG PRO 8 1HG PRO 8 -9.936 -2.594 -6.128 64 1HD PRO 8 2HD PRO 8 -8.079 -1.790 -4.004 65 2HD PRO 8 1HD PRO 8 -8.767 -3.397 -4.277 66 H LYS 9 H LYS 9 -6.575 -0.178 -7.851 67 HA LYS 9 HA LYS 9 -4.544 1.486 -6.417 68 1HB LYS 9 2HB LYS 9 -4.408 1.268 -8.894 69 2HB LYS 9 1HB LYS 9 -6.045 1.801 -9.119 70 1HG LYS 9 2HG LYS 9 -3.727 3.456 -8.041 71 2HG LYS 9 1HG LYS 9 -4.224 3.503 -9.710 72 1HD LYS 9 2HD LYS 9 -5.844 4.488 -7.283 73 2HD LYS 9 1HD LYS 9 -5.178 5.469 -8.526 74 1HE LYS 9 2HE LYS 9 -6.884 5.212 -9.944 75 2HE LYS 9 1HE LYS 9 -7.018 3.475 -9.695 76 1HZ LYS 9 2HZ LYS 9 -7.645 4.872 -7.334 77 2HZ LYS 9 1HZ LYS 9 -8.562 5.556 -8.394 78 3HZ LYS 9 3HZ LYS 9 -8.657 3.852 -8.055 79 H ASP 10 H ASP 10 -5.516 2.169 -4.560 80 HA ASP 10 HA ASP 10 -8.169 3.502 -4.641 81 1HB ASP 10 2HB ASP 10 -6.637 2.348 -2.312 82 2HB ASP 10 1HB ASP 10 -8.218 3.096 -2.193 83 H GLU 11 H GLU 11 -8.182 5.771 -4.654 84 HA GLU 11 HA GLU 11 -6.095 7.167 -3.027 85 1HB GLU 11 2HB GLU 11 -6.925 9.347 -4.516 86 2HB GLU 11 1HB GLU 11 -6.073 8.159 -5.437 87 1HG GLU 11 2HG GLU 11 -9.148 8.288 -5.401 88 2HG GLU 11 1HG GLU 11 -8.074 9.016 -6.546 89 H GLY 12 H GLY 12 -9.439 8.069 -3.805 90 1HA GLY 12 2HA GLY 12 -11.099 8.139 -1.887 91 2HA GLY 12 1HA GLY 12 -9.805 8.791 -0.902 92 H THR 13 H THR 13 -12.256 9.984 -1.024 93 HA THR 13 HA THR 13 -11.970 12.404 -2.766 94 HB THR 13 HB THR 13 -14.346 12.910 -1.843 95 HG1 THR 13 HG1 THR 13 -14.030 11.889 0.097 96 1HG2 THR 13 2HG2 THR 13 -14.126 11.198 -3.818 97 2HG2 THR 13 1HG2 THR 13 -14.067 9.949 -2.578 98 3HG2 THR 13 3HG2 THR 13 -15.498 10.943 -2.746 99 H CYS 14 H CYS 14 -10.063 12.261 -1.259 100 HA CYS 14 HA CYS 14 -10.442 13.883 1.222 101 1HB CYS 14 2HB CYS 14 -8.079 12.162 0.360 102 2HB CYS 14 1HB CYS 14 -8.379 12.797 1.963 103 H ARG 15 H ARG 15 -7.965 14.831 1.588 104 HA ARG 15 HA ARG 15 -7.564 16.699 -0.722 105 1HB ARG 15 2HB ARG 15 -8.744 17.605 1.353 106 2HB ARG 15 1HB ARG 15 -7.225 17.386 2.193 107 1HG ARG 15 2HG ARG 15 -7.391 19.712 1.491 108 2HG ARG 15 1HG ARG 15 -6.074 18.952 0.658 109 1HD ARG 15 2HD ARG 15 -8.851 19.318 -0.586 110 2HD ARG 15 1HD ARG 15 -7.550 20.491 -0.784 111 HE ARG 15 HE ARG 15 -6.258 18.206 -1.595 112 1HH1 ARG 15 2HH1 ARG 15 -8.699 16.714 -2.139 113 2HH1 ARG 15 1HH1 ARG 15 -8.959 17.100 -3.775 114 1HH2 ARG 15 1HH2 ARG 15 -6.910 19.835 -3.552 115 2HH2 ARG 15 2HH2 ARG 15 -7.929 18.957 -4.654 116 H ASP 16 H ASP 16 -5.546 15.141 1.680 117 HA ASP 16 HA ASP 16 -3.124 16.310 0.580 118 1HB ASP 16 2HB ASP 16 -3.119 14.342 2.856 119 2HB ASP 16 1HB ASP 16 -2.402 15.940 2.771 120 H PHE 17 H PHE 17 -2.833 15.270 -1.411 121 HA PHE 17 HA PHE 17 -2.753 12.276 -1.414 122 1HB PHE 17 2HB PHE 17 -2.800 14.174 -3.803 123 2HB PHE 17 1HB PHE 17 -2.799 12.433 -3.911 124 HD1 PHE 17 HD1 PHE 17 -4.736 15.222 -2.388 125 HD2 PHE 17 HD2 PHE 17 -4.834 11.251 -3.888 126 HE1 PHE 17 HE1 PHE 17 -7.166 15.186 -2.152 127 HE2 PHE 17 HE2 PHE 17 -7.285 11.221 -3.646 128 HZ PHE 17 HZ PHE 17 -8.455 13.179 -2.779 129 H ILE 18 H ILE 18 -1.224 11.097 -2.095 130 HA ILE 18 HA ILE 18 1.510 12.207 -2.724 131 HB ILE 18 HB ILE 18 1.146 11.600 -0.241 132 1HG1 ILE 18 2HG1 ILE 18 3.404 10.016 -1.577 133 2HG1 ILE 18 1HG1 ILE 18 3.438 11.763 -1.355 134 1HG2 ILE 18 2HG2 ILE 18 -0.128 9.507 -0.626 135 2HG2 ILE 18 1HG2 ILE 18 1.283 8.753 -1.355 136 3HG2 ILE 18 3HG2 ILE 18 1.289 9.180 0.344 137 1HD1 ILE 18 3HD1 ILE 18 3.198 11.479 1.096 138 2HD1 ILE 18 2HD1 ILE 18 3.183 9.738 0.918 139 3HD1 ILE 18 1HD1 ILE 18 4.621 10.644 0.504 140 H LEU 19 H LEU 19 2.859 10.881 -4.023 141 HA LEU 19 HA LEU 19 1.439 8.935 -5.647 142 1HB LEU 19 2HB LEU 19 3.265 11.080 -6.021 143 2HB LEU 19 1HB LEU 19 4.323 9.762 -6.270 144 HG LEU 19 HG LEU 19 1.890 10.679 -7.940 145 1HD1 LEU 19 1HD1 LEU 19 4.762 10.160 -8.703 146 2HD1 LEU 19 3HD1 LEU 19 3.470 10.675 -9.760 147 3HD1 LEU 19 2HD1 LEU 19 3.982 11.710 -8.449 148 1HD2 LEU 19 3HD2 LEU 19 3.405 8.063 -8.382 149 2HD2 LEU 19 2HD2 LEU 19 1.751 8.142 -7.804 150 3HD2 LEU 19 1HD2 LEU 19 2.152 8.725 -9.398 151 H LYS 20 H LYS 20 1.416 6.903 -4.840 152 HA LYS 20 HA LYS 20 3.954 5.684 -3.717 153 1HB LYS 20 2HB LYS 20 0.987 5.157 -3.280 154 2HB LYS 20 1HB LYS 20 2.126 3.967 -2.744 155 1HG LYS 20 2HG LYS 20 2.342 6.899 -1.856 156 2HG LYS 20 1HG LYS 20 1.217 5.854 -1.047 157 1HD LYS 20 2HD LYS 20 4.243 5.279 -1.189 158 2HD LYS 20 1HD LYS 20 3.523 6.174 0.119 159 1HE LYS 20 2HE LYS 20 2.165 4.226 0.824 160 2HE LYS 20 1HE LYS 20 2.715 3.347 -0.577 161 1HZ LYS 20 3HZ LYS 20 5.063 4.151 0.794 162 2HZ LYS 20 2HZ LYS 20 4.019 3.560 1.983 163 3HZ LYS 20 1HZ LYS 20 4.517 2.582 0.772 164 H TRP 21 H TRP 21 3.730 3.052 -4.095 165 HA TRP 21 HA TRP 21 3.453 2.568 -7.024 166 1HB TRP 21 2HB TRP 21 5.260 1.188 -4.943 167 2HB TRP 21 1HB TRP 21 5.098 0.650 -6.596 168 HD1 TRP 21 HD1 TRP 21 6.555 3.611 -4.546 169 HE1 TRP 21 HE1 TRP 21 8.273 4.696 -6.094 170 HE3 TRP 21 HE3 TRP 21 5.836 0.919 -8.731 171 HZ2 TRP 21 HZ2 TRP 21 9.320 4.448 -8.700 172 HZ3 TRP 21 HZ3 TRP 21 7.210 1.292 -10.739 173 HH2 TRP 21 HH2 TRP 21 8.959 3.044 -10.752 174 H TYR 22 H TYR 22 2.011 0.904 -7.532 175 HA TYR 22 HA TYR 22 0.940 -0.757 -5.270 176 1HB TYR 22 2HB TYR 22 -1.189 0.081 -5.680 177 2HB TYR 22 1HB TYR 22 -0.391 1.361 -6.548 178 HD1 TYR 22 HD1 TYR 22 0.059 0.931 -9.175 179 HD2 TYR 22 HD2 TYR 22 -2.660 -1.220 -6.725 180 HE1 TYR 22 HE1 TYR 22 -1.181 0.110 -11.208 181 HE2 TYR 22 HE2 TYR 22 -3.855 -2.015 -8.771 182 HH TYR 22 HH TYR 22 -2.735 -1.700 -11.860 183 H TYR 23 H TYR 23 0.584 -2.904 -5.917 184 HA TYR 23 HA TYR 23 1.993 -3.867 -8.265 185 1HB TYR 23 2HB TYR 23 2.096 -5.003 -6.043 186 2HB TYR 23 1HB TYR 23 0.363 -5.275 -6.117 187 HD1 TYR 23 HD1 TYR 23 3.366 -5.952 -8.299 188 HD2 TYR 23 HD2 TYR 23 -0.480 -7.228 -7.015 189 HE1 TYR 23 HE1 TYR 23 3.546 -7.974 -9.708 190 HE2 TYR 23 HE2 TYR 23 -0.273 -9.238 -8.439 191 HH TYR 23 HH TYR 23 1.429 -10.532 -9.335 192 H ASP 24 H ASP 24 1.155 -4.312 -10.113 193 HA ASP 24 HA ASP 24 -1.773 -4.322 -10.601 194 1HB ASP 24 2HB ASP 24 -0.486 -2.542 -11.441 195 2HB ASP 24 1HB ASP 24 0.612 -3.606 -12.306 196 HA PRO 25 HA PRO 25 -0.697 -8.908 -11.056 197 1HB PRO 25 2HB PRO 25 -3.435 -9.539 -11.177 198 2HB PRO 25 1HB PRO 25 -2.463 -9.499 -9.707 199 1HG PRO 25 2HG PRO 25 -4.139 -7.199 -10.872 200 2HG PRO 25 1HG PRO 25 -4.152 -7.831 -9.216 201 1HD PRO 25 2HD PRO 25 -2.706 -5.689 -9.632 202 2HD PRO 25 1HD PRO 25 -1.899 -7.016 -8.785 203 H ASN 26 H ASN 26 -2.209 -6.710 -13.122 204 HA ASN 26 HA ASN 26 -2.639 -8.486 -15.427 205 1HB ASN 26 2HB ASN 26 -4.192 -6.759 -15.527 206 2HB ASN 26 1HB ASN 26 -3.242 -5.671 -14.550 207 1HD2 ASN 26 2HD2 ASN 26 -2.088 -3.936 -17.292 208 2HD2 ASN 26 1HD2 ASN 26 -2.067 -4.101 -15.588 209 H THR 27 H THR 27 -0.347 -5.980 -14.605 210 HA THR 27 HA THR 27 1.359 -6.655 -17.002 211 HB THR 27 HB THR 27 1.038 -4.166 -16.382 212 HG1 THR 27 HG1 THR 27 3.414 -5.651 -16.567 213 1HG2 THR 27 2HG2 THR 27 1.332 -4.584 -13.842 214 2HG2 THR 27 1HG2 THR 27 3.032 -4.905 -14.173 215 3HG2 THR 27 3HG2 THR 27 2.355 -3.330 -14.528 216 H LYS 28 H LYS 28 1.102 -7.095 -13.715 217 HA LYS 28 HA LYS 28 1.970 -8.394 -12.184 218 1HB LYS 28 2HB LYS 28 3.738 -9.455 -14.479 219 2HB LYS 28 1HB LYS 28 3.468 -10.307 -12.988 220 1HG LYS 28 2HG LYS 28 0.848 -9.697 -13.812 221 2HG LYS 28 1HG LYS 28 1.631 -9.868 -15.338 222 1HD LYS 28 2HD LYS 28 0.754 -12.156 -14.670 223 2HD LYS 28 1HD LYS 28 2.496 -12.211 -14.624 224 1HE LYS 28 2HE LYS 28 1.455 -13.245 -12.644 225 2HE LYS 28 1HE LYS 28 2.495 -11.922 -12.183 226 1HZ LYS 28 2HZ LYS 28 -0.165 -10.905 -12.698 227 2HZ LYS 28 1HZ LYS 28 -0.157 -12.195 -11.570 228 3HZ LYS 28 3HZ LYS 28 0.779 -10.921 -11.255 229 H SER 29 H SER 29 3.109 -5.941 -12.398 230 HA SER 29 HA SER 29 5.373 -6.360 -10.594 231 1HB SER 29 2HB SER 29 6.462 -6.024 -12.845 232 2HB SER 29 1HB SER 29 5.549 -4.529 -13.095 233 HG SER 29 HG SER 29 7.319 -5.019 -10.836 234 H CYS 30 H CYS 30 5.762 -3.356 -10.669 235 HA CYS 30 HA CYS 30 3.102 -2.470 -9.575 236 1HB CYS 30 2HB CYS 30 5.858 -2.027 -8.395 237 2HB CYS 30 1HB CYS 30 4.378 -1.316 -7.796 238 H ALA 31 H ALA 31 2.467 -0.405 -9.852 239 HA ALA 31 HA ALA 31 4.059 1.384 -11.628 240 1HB ALA 31 2HB ALA 31 1.036 0.812 -11.628 241 2HB ALA 31 1HB ALA 31 1.830 1.951 -12.707 242 3HB ALA 31 3HB ALA 31 2.160 0.235 -12.846 243 H ARG 32 H ARG 32 3.153 3.671 -11.270 244 HA ARG 32 HA ARG 32 2.820 4.027 -8.395 245 1HB ARG 32 2HB ARG 32 3.841 5.787 -10.583 246 2HB ARG 32 1HB ARG 32 3.839 6.229 -8.876 247 1HG ARG 32 2HG ARG 32 5.300 4.104 -8.584 248 2HG ARG 32 1HG ARG 32 5.238 3.885 -10.294 249 1HD ARG 32 2HD ARG 32 7.224 5.088 -10.078 250 2HD ARG 32 1HD ARG 32 6.041 6.181 -10.702 251 HE ARG 32 HE ARG 32 7.301 7.166 -8.737 252 1HH1 ARG 32 2HH1 ARG 32 6.028 4.795 -7.169 253 2HH1 ARG 32 1HH1 ARG 32 5.109 5.739 -6.042 254 1HH2 ARG 32 1HH2 ARG 32 5.603 8.570 -7.800 255 2HH2 ARG 32 2HH2 ARG 32 4.976 7.850 -6.355 256 H PHE 33 H PHE 33 1.316 5.411 -7.423 257 HA PHE 33 HA PHE 33 -0.572 6.806 -9.252 258 1HB PHE 33 2HB PHE 33 -2.507 5.454 -8.650 259 2HB PHE 33 1HB PHE 33 -1.226 4.299 -8.823 260 HD1 PHE 33 HD1 PHE 33 0.026 3.521 -6.710 261 HD2 PHE 33 HD2 PHE 33 -3.680 5.599 -6.649 262 HE1 PHE 33 HE1 PHE 33 -0.441 2.643 -4.449 263 HE2 PHE 33 HE2 PHE 33 -4.150 4.737 -4.415 264 HZ PHE 33 HZ PHE 33 -2.536 3.253 -3.311 265 H TRP 34 H TRP 34 -1.994 8.220 -8.263 266 HA TRP 34 HA TRP 34 -0.845 9.652 -5.955 267 1HB TRP 34 2HB TRP 34 -2.925 10.256 -8.171 268 2HB TRP 34 1HB TRP 34 -3.026 11.216 -6.776 269 HD1 TRP 34 HD1 TRP 34 -1.993 11.495 -9.868 270 HE1 TRP 34 HE1 TRP 34 -0.117 13.278 -10.092 271 HE3 TRP 34 HE3 TRP 34 -0.436 11.751 -5.131 272 HZ2 TRP 34 HZ2 TRP 34 1.745 14.671 -8.492 273 HZ3 TRP 34 HZ3 TRP 34 1.348 13.339 -4.447 274 HH2 TRP 34 HH2 TRP 34 2.450 14.772 -6.116 275 H TYR 35 H TYR 35 -1.486 8.572 -3.997 276 HA TYR 35 HA TYR 35 -4.422 8.023 -3.735 277 1HB TYR 35 2HB TYR 35 -3.752 6.111 -2.685 278 2HB TYR 35 1HB TYR 35 -2.099 6.528 -3.042 279 HD1 TYR 35 HD2 TYR 35 -4.735 6.595 -0.444 280 HD2 TYR 35 HD1 TYR 35 -0.637 7.424 -1.265 281 HE1 TYR 35 HE2 TYR 35 -4.264 6.727 1.943 282 HE2 TYR 35 HE1 TYR 35 -0.216 7.541 1.176 283 HH TYR 35 HH TYR 35 -2.800 7.443 3.472 284 H GLY 36 H GLY 36 -5.500 8.606 -1.735 285 1HA GLY 36 2HA GLY 36 -4.570 11.264 -0.698 286 2HA GLY 36 1HA GLY 36 -6.228 10.682 -0.689 287 H GLY 37 H GLY 37 -3.857 11.419 1.226 288 1HA GLY 37 2HA GLY 37 -2.965 9.901 3.126 289 2HA GLY 37 1HA GLY 37 -4.024 11.198 3.668 290 H CYS 38 H CYS 38 -6.374 10.470 3.353 291 HA CYS 38 HA CYS 38 -7.493 9.059 5.276 292 1HB CYS 38 2HB CYS 38 -8.204 8.826 2.350 293 2HB CYS 38 1HB CYS 38 -9.248 8.228 3.603 294 H GLY 39 H GLY 39 -6.173 7.333 2.565 295 1HA GLY 39 2HA GLY 39 -4.955 5.179 3.596 296 2HA GLY 39 1HA GLY 39 -6.563 4.733 4.035 297 H GLY 40 H GLY 40 -7.842 3.675 2.531 298 1HA GLY 40 2HA GLY 40 -8.343 2.575 0.375 299 2HA GLY 40 1HA GLY 40 -6.841 3.249 -0.276 300 H ASN 41 H ASN 41 -7.771 0.395 -0.226 301 HA ASN 41 HA ASN 41 -6.745 -1.365 1.613 302 1HB ASN 41 2HB ASN 41 -6.815 -2.970 -0.120 303 2HB ASN 41 1HB ASN 41 -7.888 -1.704 -0.710 304 1HD2 ASN 41 2HD2 ASN 41 -5.822 -1.007 -3.431 305 2HD2 ASN 41 1HD2 ASN 41 -7.264 -0.619 -2.642 306 H GLU 42 H GLU 42 -5.037 -2.908 1.505 307 HA GLU 42 HA GLU 42 -2.541 -1.989 2.332 308 1HB GLU 42 2HB GLU 42 -3.204 -4.757 1.259 309 2HB GLU 42 1HB GLU 42 -1.958 -4.348 2.426 310 1HG GLU 42 2HG GLU 42 -3.726 -5.095 3.858 311 2HG GLU 42 1HG GLU 42 -4.062 -3.380 3.845 312 H ASN 43 H ASN 43 -3.370 -2.624 -0.955 313 HA ASN 43 HA ASN 43 -0.629 -2.901 -1.988 314 1HB ASN 43 2HB ASN 43 -2.727 -3.989 -2.814 315 2HB ASN 43 1HB ASN 43 -3.271 -2.440 -3.445 316 1HD2 ASN 43 2HD2 ASN 43 -1.763 -3.721 -6.380 317 2HD2 ASN 43 1HD2 ASN 43 -3.230 -3.659 -5.536 318 H LYS 44 H LYS 44 -0.182 -1.044 -0.757 319 HA LYS 44 HA LYS 44 0.002 1.408 -2.463 320 1HB LYS 44 2HB LYS 44 -1.932 1.354 -0.847 321 2HB LYS 44 1HB LYS 44 -0.755 1.404 0.453 322 1HG LYS 44 2HG LYS 44 0.142 3.569 -0.703 323 2HG LYS 44 1HG LYS 44 -1.324 3.555 -1.639 324 1HD LYS 44 2HD LYS 44 -0.908 4.311 1.188 325 2HD LYS 44 1HD LYS 44 -2.178 4.767 0.086 326 1HE LYS 44 2HE LYS 44 -2.163 2.239 1.778 327 2HE LYS 44 1HE LYS 44 -3.127 3.682 2.027 328 1HZ LYS 44 2HZ LYS 44 -3.518 2.906 -0.651 329 2HZ LYS 44 1HZ LYS 44 -3.729 1.518 0.325 330 3HZ LYS 44 3HZ LYS 44 -4.607 2.877 0.623 331 H PHE 45 H PHE 45 2.301 0.962 -2.768 332 HA PHE 45 HA PHE 45 4.020 1.145 -0.369 333 1HB PHE 45 2HB PHE 45 4.620 0.132 -3.143 334 2HB PHE 45 1HB PHE 45 5.630 -0.061 -1.711 335 HD1 PHE 45 HD2 PHE 45 4.435 -1.087 0.370 336 HD2 PHE 45 HD1 PHE 45 2.894 -1.478 -3.575 337 HE1 PHE 45 HE2 PHE 45 3.115 -3.005 1.079 338 HE2 PHE 45 HE1 PHE 45 1.568 -3.411 -2.868 339 HZ PHE 45 HZ PHE 45 1.675 -4.162 -0.504 340 H GLY 46 H GLY 46 6.080 2.082 -0.507 341 1HA GLY 46 2HA GLY 46 6.238 4.888 -1.518 342 2HA GLY 46 1HA GLY 46 7.391 4.103 -0.425 343 H SER 47 H SER 47 7.948 1.871 -1.945 344 HA SER 47 HA SER 47 9.172 2.977 -4.396 345 1HB SER 47 2HB SER 47 11.259 1.638 -3.877 346 2HB SER 47 1HB SER 47 10.906 2.795 -2.582 347 HG SER 47 HG SER 47 9.566 1.067 -1.639 348 H GLN 48 H GLN 48 9.352 1.643 -6.212 349 HA GLN 48 HA GLN 48 7.461 -0.346 -6.733 350 1HB GLN 48 2HB GLN 48 9.196 0.672 -8.379 351 2HB GLN 48 1HB GLN 48 10.353 -0.494 -7.779 352 1HG GLN 48 2HG GLN 48 8.568 -2.348 -8.419 353 2HG GLN 48 1HG GLN 48 7.731 -1.069 -9.271 354 1HE2 GLN 48 2HE2 GLN 48 10.318 -2.871 -11.355 355 2HE2 GLN 48 1HE2 GLN 48 9.295 -3.533 -10.166 356 H LYS 49 H LYS 49 10.685 -0.855 -5.625 357 HA LYS 49 HA LYS 49 10.711 -3.602 -5.188 358 1HB LYS 49 2HB LYS 49 12.782 -2.302 -4.858 359 2HB LYS 49 1HB LYS 49 12.011 -1.202 -3.739 360 1HG LYS 49 2HG LYS 49 11.849 -3.541 -2.227 361 2HG LYS 49 1HG LYS 49 13.112 -3.991 -3.315 362 1HD LYS 49 2HD LYS 49 14.008 -3.010 -1.181 363 2HD LYS 49 1HD LYS 49 14.584 -2.221 -2.619 364 1HE LYS 49 2HE LYS 49 13.962 -0.677 -0.682 365 2HE LYS 49 1HE LYS 49 13.282 -0.252 -2.239 366 1HZ LYS 49 2HZ LYS 49 11.489 -2.067 -1.028 367 2HZ LYS 49 1HZ LYS 49 11.838 -0.900 0.144 368 3HZ LYS 49 3HZ LYS 49 11.247 -0.427 -1.346 369 H GLU 50 H GLU 50 9.624 -1.304 -2.756 370 HA GLU 50 HA GLU 50 8.998 -3.001 -0.651 371 1HB GLU 50 2HB GLU 50 9.119 -0.646 -0.754 372 2HB GLU 50 1HB GLU 50 7.708 -0.585 -1.793 373 1HG GLU 50 2HG GLU 50 6.354 -1.401 0.228 374 2HG GLU 50 1HG GLU 50 7.784 -1.181 1.209 375 H CYS 51 H CYS 51 7.027 -1.979 -3.253 376 HA CYS 51 HA CYS 51 4.692 -3.610 -2.888 377 1HB CYS 51 2HB CYS 51 4.949 -1.494 -4.272 378 2HB CYS 51 1HB CYS 51 5.866 -2.413 -5.412 379 H GLU 52 H GLU 52 7.402 -4.080 -5.104 380 HA GLU 52 HA GLU 52 6.672 -6.583 -6.270 381 1HB GLU 52 2HB GLU 52 8.689 -4.766 -6.592 382 2HB GLU 52 1HB GLU 52 9.571 -5.929 -5.624 383 1HG GLU 52 2HG GLU 52 9.971 -6.679 -7.888 384 2HG GLU 52 1HG GLU 52 8.614 -7.690 -7.436 385 H LYS 53 H LYS 53 8.745 -5.947 -3.484 386 HA LYS 53 HA LYS 53 9.154 -8.570 -2.573 387 1HB LYS 53 2HB LYS 53 10.121 -6.320 -1.684 388 2HB LYS 53 1HB LYS 53 8.661 -6.145 -0.759 389 1HG LYS 53 2HG LYS 53 10.815 -8.312 -0.421 390 2HG LYS 53 1HG LYS 53 10.437 -7.035 0.698 391 1HD LYS 53 2HD LYS 53 9.236 -8.675 1.792 392 2HD LYS 53 1HD LYS 53 7.981 -8.174 0.691 393 1HE LYS 53 2HE LYS 53 9.128 -10.061 -0.898 394 2HE LYS 53 1HE LYS 53 9.730 -10.645 0.640 395 1HZ LYS 53 3HZ LYS 53 6.997 -9.966 0.967 396 2HZ LYS 53 2HZ LYS 53 7.101 -10.821 -0.435 397 3HZ LYS 53 1HZ LYS 53 7.630 -11.548 1.014 398 H VAL 54 H VAL 54 6.464 -6.380 -1.524 399 HA VAL 54 HA VAL 54 5.116 -8.274 0.063 400 HB VAL 54 HB VAL 54 4.269 -5.877 -1.575 401 1HG1 VAL 54 2HG1 VAL 54 2.563 -7.579 0.386 402 2HG1 VAL 54 1HG1 VAL 54 2.048 -6.072 -0.329 403 3HG1 VAL 54 3HG1 VAL 54 2.247 -7.481 -1.334 404 1HG2 VAL 54 2HG2 VAL 54 4.462 -6.445 1.421 405 2HG2 VAL 54 1HG2 VAL 54 5.612 -5.519 0.463 406 3HG2 VAL 54 3HG2 VAL 54 3.987 -4.932 0.686 407 H CYS 55 H CYS 55 4.409 -7.671 -3.355 408 HA CYS 55 HA CYS 55 3.174 -10.433 -3.473 409 1HB CYS 55 2HB CYS 55 1.564 -8.530 -3.621 410 2HB CYS 55 1HB CYS 55 2.352 -8.012 -5.095 411 H ALA 56 H ALA 56 4.817 -8.181 -5.552 412 HA ALA 56 HA ALA 56 6.260 -8.470 -7.536 413 1HB ALA 56 2HB ALA 56 6.401 -11.152 -6.246 414 2HB ALA 56 1HB ALA 56 7.498 -10.540 -7.481 415 3HB ALA 56 3HB ALA 56 7.410 -9.749 -5.913 416 HA PRO 57 HA PRO 57 4.460 -10.528 -11.200 417 1HB PRO 57 2HB PRO 57 6.547 -12.477 -11.571 418 2HB PRO 57 1HB PRO 57 6.409 -10.885 -12.320 419 1HG PRO 57 2HG PRO 57 7.784 -11.597 -9.675 420 2HG PRO 57 1HG PRO 57 8.445 -10.631 -11.005 421 1HD PRO 57 2HD PRO 57 7.462 -9.245 -9.023 422 2HD PRO 57 1HD PRO 57 6.774 -8.857 -10.597 423 H VAL 58 HN VAL 58 2.900 -11.350 -9.367 424 HA VAL 58 HA VAL 58 2.498 -14.302 -9.730 425 HB VAL 58 HB VAL 58 1.683 -12.544 -7.368 426 1HG1 VAL 58 2HG1 VAL 58 1.554 -15.577 -7.770 427 2HG1 VAL 58 1HG1 VAL 58 1.094 -14.723 -6.299 428 3HG1 VAL 58 3HG1 VAL 58 0.182 -14.481 -7.781 429 1HG2 VAL 58 2HG2 VAL 58 3.883 -14.662 -7.564 430 2HG2 VAL 58 1HG2 VAL 58 4.127 -12.925 -7.418 431 3HG2 VAL 58 3HG2 VAL 58 3.407 -13.807 -6.098 No H/Q in entry = 431 Start of MODEL 9 1 1H GLU 1 2H GLU 1 -1.302 -16.968 -4.718 2 2H GLU 1 1H GLU 1 -0.899 -18.543 -4.226 3 3H GLU 1 3H GLU 1 -2.458 -18.253 -4.698 4 HA GLU 1 HA GLU 1 -3.066 -17.690 -2.645 5 1HB GLU 1 2HB GLU 1 -0.090 -18.387 -2.083 6 2HB GLU 1 1HB GLU 1 -1.322 -18.337 -0.843 7 1HG GLU 1 2HG GLU 1 -0.679 -20.716 -2.148 8 2HG GLU 1 1HG GLU 1 -2.298 -20.465 -1.571 9 H THR 2 H THR 2 -3.255 -15.710 -1.349 10 HA THR 2 HA THR 2 -2.203 -13.682 -0.350 11 HB THR 2 HB THR 2 -0.120 -13.576 -1.948 12 HG1 THR 2 HG1 THR 2 -0.488 -11.261 -2.019 13 1HG2 THR 2 2HG2 THR 2 -1.563 -13.534 -4.183 14 2HG2 THR 2 1HG2 THR 2 -2.112 -11.955 -3.650 15 3HG2 THR 2 3HG2 THR 2 -0.414 -12.230 -3.969 16 H ASP 3 H ASP 3 -2.986 -11.548 -0.790 17 HA ASP 3 HA ASP 3 -5.453 -11.607 -2.496 18 1HB ASP 3 2HB ASP 3 -5.932 -11.996 -0.061 19 2HB ASP 3 1HB ASP 3 -5.613 -10.278 0.196 20 H ILE 4 H ILE 4 -4.253 -8.953 -0.763 21 HA ILE 4 HA ILE 4 -5.277 -6.702 -1.906 22 HB ILE 4 HB ILE 4 -3.238 -5.519 -1.356 23 1HG1 ILE 4 2HG1 ILE 4 -2.033 -8.321 -0.904 24 2HG1 ILE 4 1HG1 ILE 4 -1.552 -7.213 -2.172 25 1HG2 ILE 4 2HG2 ILE 4 -4.833 -6.140 0.438 26 2HG2 ILE 4 1HG2 ILE 4 -4.011 -7.666 0.686 27 3HG2 ILE 4 3HG2 ILE 4 -3.202 -6.164 1.076 28 1HD1 ILE 4 3HD1 ILE 4 -0.760 -5.568 -0.504 29 2HD1 ILE 4 2HD1 ILE 4 -1.194 -6.650 0.806 30 3HD1 ILE 4 1HD1 ILE 4 0.053 -7.107 -0.329 31 H CYS 5 H CYS 5 -2.863 -8.586 -3.258 32 HA CYS 5 HA CYS 5 -1.929 -7.043 -5.450 33 1HB CYS 5 2HB CYS 5 -2.350 -10.008 -5.193 34 2HB CYS 5 1HB CYS 5 -1.128 -9.248 -6.208 35 H LYS 6 H LYS 6 -4.954 -8.233 -4.986 36 HA LYS 6 HA LYS 6 -5.874 -8.198 -7.835 37 1HB LYS 6 2HB LYS 6 -7.140 -9.075 -5.257 38 2HB LYS 6 1HB LYS 6 -8.008 -9.137 -6.783 39 1HG LYS 6 2HG LYS 6 -6.434 -10.789 -7.682 40 2HG LYS 6 1HG LYS 6 -5.434 -10.689 -6.251 41 1HD LYS 6 2HD LYS 6 -8.407 -11.555 -6.137 42 2HD LYS 6 1HD LYS 6 -7.109 -12.705 -6.341 43 1HE LYS 6 2HE LYS 6 -7.513 -12.738 -3.984 44 2HE LYS 6 1HE LYS 6 -6.082 -11.759 -4.247 45 1HZ LYS 6 3HZ LYS 6 -8.386 -10.051 -4.390 46 2HZ LYS 6 2HZ LYS 6 -8.439 -10.957 -2.952 47 3HZ LYS 6 1HZ LYS 6 -7.149 -10.032 -3.250 48 H LEU 7 H LEU 7 -5.481 -5.837 -5.668 49 HA LEU 7 HA LEU 7 -8.085 -4.646 -6.056 50 1HB LEU 7 2HB LEU 7 -5.789 -3.851 -4.231 51 2HB LEU 7 1HB LEU 7 -7.364 -3.102 -4.174 52 HG LEU 7 HG LEU 7 -6.750 -6.045 -3.591 53 1HD1 LEU 7 1HD1 LEU 7 -6.006 -4.418 -1.846 54 2HD1 LEU 7 3HD1 LEU 7 -7.623 -3.738 -1.806 55 3HD1 LEU 7 2HD1 LEU 7 -7.356 -5.394 -1.276 56 1HD2 LEU 7 2HD2 LEU 7 -9.356 -4.458 -3.331 57 2HD2 LEU 7 1HD2 LEU 7 -9.062 -5.706 -4.529 58 3HD2 LEU 7 3HD2 LEU 7 -9.122 -6.123 -2.832 59 HA PRO 8 HA PRO 8 -6.428 -1.674 -8.878 60 1HB PRO 8 2HB PRO 8 -8.567 -0.168 -9.294 61 2HB PRO 8 1HB PRO 8 -8.747 -1.926 -9.421 62 1HG PRO 8 2HG PRO 8 -9.316 -0.162 -6.952 63 2HG PRO 8 1HG PRO 8 -10.425 -1.294 -7.725 64 1HD PRO 8 2HD PRO 8 -8.770 -1.972 -5.555 65 2HD PRO 8 1HD PRO 8 -9.376 -3.167 -6.732 66 H LYS 9 H LYS 9 -6.509 0.687 -9.290 67 HA LYS 9 HA LYS 9 -4.658 2.103 -7.633 68 1HB LYS 9 2HB LYS 9 -6.756 3.383 -9.463 69 2HB LYS 9 1HB LYS 9 -5.224 4.070 -9.054 70 1HG LYS 9 2HG LYS 9 -5.455 1.492 -10.730 71 2HG LYS 9 1HG LYS 9 -5.470 3.094 -11.438 72 1HD LYS 9 2HD LYS 9 -3.224 3.483 -10.166 73 2HD LYS 9 1HD LYS 9 -3.182 1.762 -9.903 74 1HE LYS 9 2HE LYS 9 -3.334 3.127 -12.653 75 2HE LYS 9 1HE LYS 9 -1.844 2.571 -11.921 76 1HZ LYS 9 1HZ LYS 9 -3.521 0.311 -11.868 77 2HZ LYS 9 3HZ LYS 9 -3.716 0.959 -13.409 78 3HZ LYS 9 2HZ LYS 9 -2.248 0.537 -12.819 79 H ASP 10 H ASP 10 -5.468 1.925 -5.401 80 HA ASP 10 HA ASP 10 -7.985 3.358 -4.750 81 1HB ASP 10 2HB ASP 10 -7.555 1.069 -3.925 82 2HB ASP 10 1HB ASP 10 -6.133 1.656 -3.059 83 H GLU 11 H GLU 11 -7.092 5.385 -5.327 84 HA GLU 11 HA GLU 11 -5.064 6.763 -3.837 85 1HB GLU 11 2HB GLU 11 -7.419 7.858 -5.541 86 2HB GLU 11 1HB GLU 11 -6.007 8.777 -5.082 87 1HG GLU 11 2HG GLU 11 -4.508 6.936 -6.107 88 2HG GLU 11 1HG GLU 11 -5.923 6.118 -6.688 89 H GLY 12 H GLY 12 -8.584 6.755 -3.411 90 1HA GLY 12 2HA GLY 12 -9.555 6.664 -1.148 91 2HA GLY 12 1HA GLY 12 -8.193 7.555 -0.553 92 H THR 13 H THR 13 -10.130 8.400 0.531 93 HA THR 13 HA THR 13 -11.225 10.819 -0.902 94 HB THR 13 HB THR 13 -12.730 9.383 1.360 95 HG1 THR 13 HG1 THR 13 -13.527 9.125 -1.266 96 1HG2 THR 13 3HG2 THR 13 -13.640 11.051 -1.064 97 2HG2 THR 13 2HG2 THR 13 -14.660 10.435 0.233 98 3HG2 THR 13 1HG2 THR 13 -13.500 11.709 0.556 99 H CYS 14 H CYS 14 -8.863 10.803 0.586 100 HA CYS 14 HA CYS 14 -9.503 12.557 2.948 101 1HB CYS 14 2HB CYS 14 -8.414 10.342 3.355 102 2HB CYS 14 1HB CYS 14 -7.048 10.859 2.411 103 H ARG 15 H ARG 15 -6.382 13.092 2.759 104 HA ARG 15 HA ARG 15 -6.455 15.065 0.498 105 1HB ARG 15 2HB ARG 15 -5.872 15.844 3.402 106 2HB ARG 15 1HB ARG 15 -5.785 16.940 2.035 107 1HG ARG 15 2HG ARG 15 -8.195 16.182 1.489 108 2HG ARG 15 1HG ARG 15 -8.236 15.459 3.090 109 1HD ARG 15 2HD ARG 15 -7.846 17.718 4.060 110 2HD ARG 15 1HD ARG 15 -7.943 18.405 2.428 111 HE ARG 15 HE ARG 15 -10.194 16.926 3.835 112 1HH1 ARG 15 2HH1 ARG 15 -10.112 16.161 1.193 113 2HH1 ARG 15 1HH1 ARG 15 -11.200 17.236 0.386 114 1HH2 ARG 15 1HH2 ARG 15 -10.854 19.400 3.103 115 2HH2 ARG 15 2HH2 ARG 15 -11.656 19.262 1.571 116 H ASP 16 H ASP 16 -4.778 12.775 0.712 117 HA ASP 16 HA ASP 16 -2.050 14.038 0.659 118 1HB ASP 16 2HB ASP 16 -2.320 12.448 2.547 119 2HB ASP 16 1HB ASP 16 -2.841 11.174 1.455 120 H PHE 17 H PHE 17 -2.844 14.492 -1.761 121 HA PHE 17 HA PHE 17 -2.662 12.053 -3.445 122 1HB PHE 17 2HB PHE 17 -2.632 14.851 -4.576 123 2HB PHE 17 1HB PHE 17 -3.061 13.383 -5.351 124 HD1 PHE 17 HD1 PHE 17 -4.974 11.995 -4.688 125 HD2 PHE 17 HD2 PHE 17 -4.492 15.962 -3.255 126 HE1 PHE 17 HE1 PHE 17 -7.332 12.028 -4.075 127 HE2 PHE 17 HE2 PHE 17 -6.882 16.011 -2.629 128 HZ PHE 17 HZ PHE 17 -8.302 14.044 -3.036 129 H ILE 18 H ILE 18 -0.604 11.868 -2.325 130 HA ILE 18 HA ILE 18 1.649 12.926 -4.057 131 HB ILE 18 HB ILE 18 2.030 13.464 -1.575 132 1HG1 ILE 18 2HG1 ILE 18 3.870 12.700 -3.359 133 2HG1 ILE 18 1HG1 ILE 18 4.326 12.958 -1.694 134 1HG2 ILE 18 1HG2 ILE 18 0.913 11.527 -0.529 135 2HG2 ILE 18 3HG2 ILE 18 2.217 10.471 -1.081 136 3HG2 ILE 18 2HG2 ILE 18 2.533 11.734 0.079 137 1HD1 ILE 18 2HD1 ILE 18 3.671 10.214 -2.903 138 2HD1 ILE 18 1HD1 ILE 18 5.288 10.806 -2.629 139 3HD1 ILE 18 3HD1 ILE 18 4.236 10.483 -1.278 140 H LEU 19 H LEU 19 2.455 11.628 -5.258 141 HA LEU 19 HA LEU 19 1.370 9.231 -6.069 142 1HB LEU 19 2HB LEU 19 4.060 10.501 -6.497 143 2HB LEU 19 1HB LEU 19 4.003 8.823 -6.916 144 HG LEU 19 HG LEU 19 2.422 11.120 -8.334 145 1HD1 LEU 19 3HD1 LEU 19 4.219 8.927 -9.346 146 2HD1 LEU 19 2HD1 LEU 19 3.468 10.205 -10.286 147 3HD1 LEU 19 1HD1 LEU 19 4.697 10.614 -9.099 148 1HD2 LEU 19 1HD2 LEU 19 1.930 8.138 -8.692 149 2HD2 LEU 19 3HD2 LEU 19 0.787 9.288 -8.024 150 3HD2 LEU 19 2HD2 LEU 19 1.290 9.444 -9.674 151 H LYS 20 H LYS 20 1.406 7.163 -5.602 152 HA LYS 20 HA LYS 20 3.406 5.992 -3.690 153 1HB LYS 20 2HB LYS 20 0.431 5.344 -3.843 154 2HB LYS 20 1HB LYS 20 1.539 4.670 -2.668 155 1HG LYS 20 2HG LYS 20 0.655 7.553 -2.942 156 2HG LYS 20 1HG LYS 20 0.027 6.434 -1.745 157 1HD LYS 20 2HD LYS 20 2.674 6.293 -1.080 158 2HD LYS 20 1HD LYS 20 2.710 7.855 -1.859 159 1HE LYS 20 2HE LYS 20 0.898 7.097 0.485 160 2HE LYS 20 1HE LYS 20 2.322 8.124 0.570 161 1HZ LYS 20 2HZ LYS 20 0.707 9.205 -1.474 162 2HZ LYS 20 1HZ LYS 20 -0.307 8.932 -0.127 163 3HZ LYS 20 3HZ LYS 20 0.954 9.846 0.076 164 H TRP 21 H TRP 21 3.155 3.372 -3.844 165 HA TRP 21 HA TRP 21 3.014 2.697 -6.772 166 1HB TRP 21 2HB TRP 21 4.766 1.489 -4.586 167 2HB TRP 21 1HB TRP 21 4.687 0.885 -6.233 168 HD1 TRP 21 HD1 TRP 21 5.916 3.891 -4.166 169 HE1 TRP 21 HE1 TRP 21 7.530 5.124 -5.659 170 HE3 TRP 21 HE3 TRP 21 5.287 1.324 -8.438 171 HZ2 TRP 21 HZ2 TRP 21 8.541 5.051 -8.308 172 HZ3 TRP 21 HZ3 TRP 21 6.581 1.872 -10.473 173 HH2 TRP 21 HH2 TRP 21 8.213 3.710 -10.453 174 H TYR 22 H TYR 22 1.833 0.852 -7.347 175 HA TYR 22 HA TYR 22 0.713 -0.818 -5.123 176 1HB TYR 22 2HB TYR 22 -1.440 -0.002 -5.495 177 2HB TYR 22 1HB TYR 22 -0.674 1.333 -6.281 178 HD1 TYR 22 HD1 TYR 22 -0.023 0.792 -8.904 179 HD2 TYR 22 HD2 TYR 22 -3.027 -1.054 -6.561 180 HE1 TYR 22 HE1 TYR 22 -1.241 0.100 -10.964 181 HE2 TYR 22 HE2 TYR 22 -4.228 -1.743 -8.613 182 HH TYR 22 HH TYR 22 -3.107 -2.021 -11.359 183 H TYR 23 H TYR 23 0.057 -2.901 -5.792 184 HA TYR 23 HA TYR 23 1.628 -3.915 -8.031 185 1HB TYR 23 2HB TYR 23 1.206 -5.192 -5.875 186 2HB TYR 23 1HB TYR 23 -0.494 -5.288 -6.314 187 HD1 TYR 23 HD1 TYR 23 2.888 -6.143 -7.639 188 HD2 TYR 23 HD2 TYR 23 -1.276 -6.900 -7.799 189 HE1 TYR 23 HE1 TYR 23 3.279 -8.051 -9.166 190 HE2 TYR 23 HE2 TYR 23 -0.877 -8.801 -9.330 191 HH TYR 23 HH TYR 23 2.399 -9.628 -10.324 192 H ASP 24 H ASP 24 0.901 -3.977 -10.008 193 HA ASP 24 HA ASP 24 -1.989 -3.534 -10.591 194 1HB ASP 24 2HB ASP 24 -0.287 -1.788 -11.077 195 2HB ASP 24 1HB ASP 24 0.406 -2.828 -12.282 196 HA PRO 25 HA PRO 25 -1.890 -7.921 -12.023 197 1HB PRO 25 2HB PRO 25 -4.646 -7.263 -12.763 198 2HB PRO 25 1HB PRO 25 -4.098 -8.283 -11.431 199 1HG PRO 25 2HG PRO 25 -4.644 -5.279 -11.413 200 2HG PRO 25 1HG PRO 25 -5.029 -6.466 -10.163 201 1HD PRO 25 2HD PRO 25 -2.950 -4.944 -9.735 202 2HD PRO 25 1HD PRO 25 -2.670 -6.679 -9.548 203 H ASN 26 H ASN 26 -2.516 -4.927 -13.803 204 HA ASN 26 HA ASN 26 -2.784 -6.128 -16.419 205 1HB ASN 26 2HB ASN 26 -3.533 -3.776 -15.743 206 2HB ASN 26 1HB ASN 26 -1.865 -3.299 -15.627 207 1HD2 ASN 26 2HD2 ASN 26 -2.148 -4.072 -19.421 208 2HD2 ASN 26 1HD2 ASN 26 -1.707 -5.276 -18.297 209 H THR 27 H THR 27 -0.115 -4.930 -14.591 210 HA THR 27 HA THR 27 1.850 -5.836 -16.732 211 HB THR 27 HB THR 27 2.478 -3.579 -16.075 212 HG1 THR 27 HG1 THR 27 4.017 -5.673 -15.562 213 1HG2 THR 27 3HG2 THR 27 2.465 -4.529 -13.178 214 2HG2 THR 27 2HG2 THR 27 2.904 -2.953 -13.777 215 3HG2 THR 27 1HG2 THR 27 1.244 -3.500 -13.904 216 H LYS 28 H LYS 28 0.882 -6.384 -13.503 217 HA LYS 28 HA LYS 28 1.074 -8.078 -12.093 218 1HB LYS 28 2HB LYS 28 1.656 -9.213 -14.636 219 2HB LYS 28 1HB LYS 28 3.057 -9.669 -13.722 220 1HG LYS 28 2HG LYS 28 1.905 -10.988 -12.211 221 2HG LYS 28 1HG LYS 28 0.384 -10.195 -12.427 222 1HD LYS 28 2HD LYS 28 1.850 -11.987 -14.541 223 2HD LYS 28 1HD LYS 28 0.477 -12.547 -13.640 224 1HE LYS 28 2HE LYS 28 0.507 -10.358 -15.790 225 2HE LYS 28 1HE LYS 28 -0.253 -11.934 -15.876 226 1HZ LYS 28 2HZ LYS 28 -1.093 -10.668 -13.506 227 2HZ LYS 28 1HZ LYS 28 -1.351 -9.556 -14.728 228 3HZ LYS 28 3HZ LYS 28 -2.082 -11.066 -14.828 229 H SER 29 H SER 29 2.749 -5.962 -12.259 230 HA SER 29 HA SER 29 4.855 -6.625 -10.311 231 1HB SER 29 2HB SER 29 6.529 -5.323 -11.630 232 2HB SER 29 1HB SER 29 5.678 -6.281 -12.848 233 HG SER 29 HG SER 29 4.687 -4.466 -13.560 234 H CYS 30 H CYS 30 5.458 -3.598 -10.341 235 HA CYS 30 HA CYS 30 2.850 -2.634 -9.264 236 1HB CYS 30 2HB CYS 30 5.619 -2.139 -8.112 237 2HB CYS 30 1HB CYS 30 4.096 -1.574 -7.485 238 H ALA 31 H ALA 31 2.261 -0.617 -9.624 239 HA ALA 31 HA ALA 31 3.927 1.109 -11.384 240 1HB ALA 31 1HB ALA 31 0.927 0.476 -11.548 241 2HB ALA 31 3HB ALA 31 1.752 1.601 -12.618 242 3HB ALA 31 2HB ALA 31 2.145 -0.108 -12.651 243 H ARG 32 H ARG 32 2.798 3.281 -11.435 244 HA ARG 32 HA ARG 32 2.644 4.259 -8.691 245 1HB ARG 32 2HB ARG 32 3.046 5.551 -11.328 246 2HB ARG 32 1HB ARG 32 3.159 6.445 -9.796 247 1HG ARG 32 2HG ARG 32 5.164 4.977 -9.204 248 2HG ARG 32 1HG ARG 32 4.934 4.053 -10.663 249 1HD ARG 32 2HD ARG 32 6.378 5.493 -11.688 250 2HD ARG 32 1HD ARG 32 5.068 6.660 -11.699 251 HE ARG 32 HE ARG 32 6.044 7.105 -9.172 252 1HH1 ARG 32 1HH2 ARG 32 8.284 5.641 -10.082 253 2HH1 ARG 32 2HH2 ARG 32 9.473 6.848 -10.487 254 1HH2 ARG 32 2HH1 ARG 32 6.826 9.119 -10.569 255 2HH2 ARG 32 1HH1 ARG 32 8.542 9.027 -10.784 256 H PHE 33 H PHE 33 1.106 5.460 -7.894 257 HA PHE 33 HA PHE 33 -1.205 6.495 -9.459 258 1HB PHE 33 2HB PHE 33 -2.880 5.195 -8.344 259 2HB PHE 33 1HB PHE 33 -1.646 4.034 -8.803 260 HD1 PHE 33 HD1 PHE 33 0.271 3.700 -6.825 261 HD2 PHE 33 HD2 PHE 33 -3.748 4.978 -6.306 262 HE1 PHE 33 HE1 PHE 33 0.312 2.951 -4.483 263 HE2 PHE 33 HE2 PHE 33 -3.715 4.239 -3.986 264 HZ PHE 33 HZ PHE 33 -1.675 3.216 -3.067 265 H TRP 34 H TRP 34 -2.814 7.603 -7.786 266 HA TRP 34 HA TRP 34 -1.082 9.345 -6.087 267 1HB TRP 34 2HB TRP 34 -3.984 9.550 -7.199 268 2HB TRP 34 1HB TRP 34 -3.456 10.819 -6.243 269 HD1 TRP 34 HD1 TRP 34 -3.807 9.815 -9.385 270 HE1 TRP 34 HE1 TRP 34 -2.354 11.239 -10.998 271 HE3 TRP 34 HE3 TRP 34 -0.703 12.001 -6.086 272 HZ2 TRP 34 HZ2 TRP 34 -0.203 13.067 -10.899 273 HZ3 TRP 34 HZ3 TRP 34 1.011 13.607 -6.835 274 HH2 TRP 34 HH2 TRP 34 1.277 14.139 -9.224 275 H TYR 35 H TYR 35 -2.624 10.237 -4.128 276 HA TYR 35 HA TYR 35 -3.792 7.923 -2.728 277 1HB TYR 35 2HB TYR 35 -1.222 8.156 -2.443 278 2HB TYR 35 1HB TYR 35 -1.570 9.509 -1.380 279 HD1 TYR 35 HD1 TYR 35 -2.543 5.992 -2.015 280 HD2 TYR 35 HD2 TYR 35 -2.087 9.012 0.932 281 HE1 TYR 35 HE1 TYR 35 -3.081 4.385 -0.225 282 HE2 TYR 35 HE2 TYR 35 -2.567 7.410 2.689 283 HH TYR 35 HH TYR 35 -3.913 5.160 2.783 284 H GLY 36 H GLY 36 -4.170 8.628 -0.480 285 1HA GLY 36 2HA GLY 36 -4.967 10.713 0.928 286 2HA GLY 36 1HA GLY 36 -6.056 10.967 -0.463 287 H GLY 37 H GLY 37 -4.883 8.108 0.967 288 1HA GLY 37 2HA GLY 37 -7.644 7.068 1.573 289 2HA GLY 37 1HA GLY 37 -6.286 6.047 1.113 290 H CYS 38 H CYS 38 -7.304 8.356 3.549 291 HA CYS 38 HA CYS 38 -5.451 7.260 5.587 292 1HB CYS 38 2HB CYS 38 -7.671 9.355 5.817 293 2HB CYS 38 1HB CYS 38 -6.332 9.148 6.903 294 H GLY 39 H GLY 39 -6.566 5.334 4.831 295 1HA GLY 39 2HA GLY 39 -7.555 3.475 6.355 296 2HA GLY 39 1HA GLY 39 -9.010 4.480 6.371 297 H GLY 40 H GLY 40 -6.737 3.309 3.991 298 1HA GLY 40 2HA GLY 40 -8.952 2.443 2.127 299 2HA GLY 40 1HA GLY 40 -7.388 3.012 1.553 300 H ASN 41 H ASN 41 -6.972 1.038 0.453 301 HA ASN 41 HA ASN 41 -6.716 -1.375 2.247 302 1HB ASN 41 2HB ASN 41 -7.171 -2.687 0.300 303 2HB ASN 41 1HB ASN 41 -8.138 -1.242 0.037 304 1HD2 ASN 41 2HD2 ASN 41 -6.401 -0.414 -2.868 305 2HD2 ASN 41 1HD2 ASN 41 -7.651 0.018 -1.820 306 H GLU 42 H GLU 42 -4.960 -3.008 1.541 307 HA GLU 42 HA GLU 42 -2.414 -1.479 1.618 308 1HB GLU 42 2HB GLU 42 -3.146 -4.289 2.463 309 2HB GLU 42 1HB GLU 42 -1.498 -3.678 2.480 310 1HG GLU 42 2HG GLU 42 -3.865 -2.557 4.113 311 2HG GLU 42 1HG GLU 42 -2.328 -3.134 4.713 312 H ASN 43 H ASN 43 -3.657 -2.094 -0.986 313 HA ASN 43 HA ASN 43 -1.264 -3.422 -2.274 314 1HB ASN 43 2HB ASN 43 -3.569 -4.158 -3.009 315 2HB ASN 43 1HB ASN 43 -3.987 -2.502 -3.464 316 1HD2 ASN 43 2HD2 ASN 43 -2.693 -3.579 -6.642 317 2HD2 ASN 43 1HD2 ASN 43 -4.160 -3.358 -5.832 318 H LYS 44 H LYS 44 -0.601 -1.590 -1.003 319 HA LYS 44 HA LYS 44 0.049 0.699 -2.676 320 1HB LYS 44 2HB LYS 44 -2.049 1.522 -1.844 321 2HB LYS 44 1HB LYS 44 -1.814 0.848 -0.273 322 1HG LYS 44 2HG LYS 44 0.153 2.969 -1.148 323 2HG LYS 44 1HG LYS 44 -1.460 3.518 -0.872 324 1HD LYS 44 2HD LYS 44 0.447 2.204 1.182 325 2HD LYS 44 1HD LYS 44 -0.198 3.813 1.227 326 1HE LYS 44 2HE LYS 44 -1.533 2.833 2.845 327 2HE LYS 44 1HE LYS 44 -2.547 2.593 1.437 328 1HZ LYS 44 2HZ LYS 44 -0.681 0.410 1.566 329 2HZ LYS 44 1HZ LYS 44 -1.406 0.585 3.064 330 3HZ LYS 44 3HZ LYS 44 -2.402 0.412 1.814 331 H PHE 45 H PHE 45 2.036 1.041 -2.525 332 HA PHE 45 HA PHE 45 3.537 0.758 0.037 333 1HB PHE 45 2HB PHE 45 4.421 -0.116 -2.763 334 2HB PHE 45 1HB PHE 45 5.254 -0.434 -1.260 335 HD1 PHE 45 HD2 PHE 45 4.353 -2.016 0.356 336 HD2 PHE 45 HD1 PHE 45 2.359 -1.339 -3.330 337 HE1 PHE 45 HE2 PHE 45 3.011 -4.052 0.706 338 HE2 PHE 45 HE1 PHE 45 1.021 -3.376 -2.996 339 HZ PHE 45 HZ PHE 45 1.333 -4.722 -0.981 340 H GLY 46 H GLY 46 5.619 1.765 -0.012 341 1HA GLY 46 2HA GLY 46 5.547 4.605 -0.871 342 2HA GLY 46 1HA GLY 46 6.811 3.834 0.092 343 H SER 47 H SER 47 7.223 1.758 -1.817 344 HA SER 47 HA SER 47 8.441 3.154 -4.179 345 1HB SER 47 2HB SER 47 9.932 1.471 -2.210 346 2HB SER 47 1HB SER 47 10.527 1.736 -3.873 347 HG SER 47 HG SER 47 9.489 3.915 -2.406 348 H GLN 48 H GLN 48 8.893 1.926 -6.057 349 HA GLN 48 HA GLN 48 6.998 -0.031 -6.773 350 1HB GLN 48 2HB GLN 48 8.510 1.345 -8.321 351 2HB GLN 48 1HB GLN 48 9.819 0.260 -7.950 352 1HG GLN 48 2HG GLN 48 8.589 -1.690 -8.872 353 2HG GLN 48 1HG GLN 48 7.147 -0.722 -9.105 354 1HE2 GLN 48 2HE2 GLN 48 8.209 -0.128 -12.338 355 2HE2 GLN 48 1HE2 GLN 48 6.915 -0.566 -11.306 356 H LYS 49 H LYS 49 10.342 -0.627 -6.009 357 HA LYS 49 HA LYS 49 10.180 -3.453 -6.026 358 1HB LYS 49 2HB LYS 49 12.343 -2.080 -5.966 359 2HB LYS 49 1HB LYS 49 12.044 -1.740 -4.258 360 1HG LYS 49 2HG LYS 49 12.204 -4.150 -3.695 361 2HG LYS 49 1HG LYS 49 12.115 -4.601 -5.365 362 1HD LYS 49 2HD LYS 49 14.403 -4.877 -4.690 363 2HD LYS 49 1HD LYS 49 14.340 -3.535 -5.813 364 1HE LYS 49 2HE LYS 49 14.415 -1.936 -3.887 365 2HE LYS 49 1HE LYS 49 14.489 -3.306 -2.778 366 1HZ LYS 49 3HZ LYS 49 16.403 -3.731 -4.818 367 2HZ LYS 49 2HZ LYS 49 16.648 -2.156 -4.261 368 3HZ LYS 49 1HZ LYS 49 16.720 -3.456 -3.183 369 H GLU 50 H GLU 50 9.644 -1.313 -3.249 370 HA GLU 50 HA GLU 50 9.295 -3.128 -1.193 371 1HB GLU 50 2HB GLU 50 9.299 -0.788 -0.953 372 2HB GLU 50 1HB GLU 50 7.881 -0.618 -1.978 373 1HG GLU 50 2HG GLU 50 6.574 -1.904 -0.127 374 2HG GLU 50 1HG GLU 50 7.980 -1.646 0.883 375 H CYS 51 H CYS 51 6.858 -1.926 -3.337 376 HA CYS 51 HA CYS 51 4.659 -3.646 -2.714 377 1HB CYS 51 2HB CYS 51 4.422 -1.606 -4.060 378 2HB CYS 51 1HB CYS 51 5.490 -2.238 -5.264 379 H GLU 52 H GLU 52 7.024 -3.974 -5.307 380 HA GLU 52 HA GLU 52 6.234 -6.458 -6.426 381 1HB GLU 52 2HB GLU 52 8.003 -4.863 -7.327 382 2HB GLU 52 1HB GLU 52 8.995 -5.206 -5.932 383 1HG GLU 52 2HG GLU 52 8.348 -7.351 -8.005 384 2HG GLU 52 1HG GLU 52 9.810 -6.401 -8.004 385 H LYS 53 H LYS 53 8.569 -5.975 -3.872 386 HA LYS 53 HA LYS 53 8.815 -8.736 -3.386 387 1HB LYS 53 2HB LYS 53 10.138 -6.526 -2.529 388 2HB LYS 53 1HB LYS 53 9.139 -6.720 -1.113 389 1HG LYS 53 2HG LYS 53 11.285 -7.960 -0.785 390 2HG LYS 53 1HG LYS 53 9.977 -9.124 -0.904 391 1HD LYS 53 2HD LYS 53 11.232 -8.286 -3.536 392 2HD LYS 53 1HD LYS 53 12.278 -9.223 -2.508 393 1HE LYS 53 2HE LYS 53 11.300 -11.094 -2.966 394 2HE LYS 53 1HE LYS 53 9.660 -10.537 -2.699 395 1HZ LYS 53 2HZ LYS 53 10.646 -9.325 -5.114 396 2HZ LYS 53 1HZ LYS 53 10.960 -10.999 -5.124 397 3HZ LYS 53 3HZ LYS 53 9.419 -10.398 -5.016 398 H VAL 54 H VAL 54 6.095 -6.976 -2.674 399 HA VAL 54 HA VAL 54 5.179 -8.790 -0.499 400 HB VAL 54 HB VAL 54 4.235 -6.157 -1.690 401 1HG1 VAL 54 1HG1 VAL 54 3.022 -7.799 0.633 402 2HG1 VAL 54 3HG1 VAL 54 2.482 -6.197 0.164 403 3HG1 VAL 54 2HG1 VAL 54 2.245 -7.551 -0.920 404 1HG2 VAL 54 2HG2 VAL 54 5.288 -6.911 1.081 405 2HG2 VAL 54 1HG2 VAL 54 6.171 -6.039 -0.160 406 3HG2 VAL 54 3HG2 VAL 54 4.781 -5.299 0.595 407 H CYS 55 H CYS 55 4.224 -7.665 -3.691 408 HA CYS 55 HA CYS 55 2.241 -9.928 -3.894 409 1HB CYS 55 2HB CYS 55 2.569 -7.333 -5.386 410 2HB CYS 55 1HB CYS 55 1.542 -8.607 -6.007 411 H ALA 56 H ALA 56 5.215 -8.929 -5.378 412 HA ALA 56 HA ALA 56 5.042 -11.048 -7.468 413 1HB ALA 56 2HB ALA 56 7.081 -8.860 -6.912 414 2HB ALA 56 1HB ALA 56 7.126 -9.891 -8.306 415 3HB ALA 56 3HB ALA 56 5.806 -8.736 -8.101 416 HA PRO 57 HA PRO 57 6.545 -12.678 -3.635 417 1HB PRO 57 2HB PRO 57 5.244 -14.981 -3.548 418 2HB PRO 57 1HB PRO 57 4.329 -13.492 -3.847 419 1HG PRO 57 2HG PRO 57 5.439 -15.463 -5.940 420 2HG PRO 57 1HG PRO 57 3.765 -14.915 -5.776 421 1HD PRO 57 2HD PRO 57 5.588 -13.668 -7.488 422 2HD PRO 57 1HD PRO 57 4.219 -12.820 -6.736 423 H VAL 58 HN VAL 58 8.677 -12.684 -5.056 424 HA VAL 58 HA VAL 58 10.126 -15.209 -4.410 425 HB VAL 58 HB VAL 58 10.520 -13.466 -6.914 426 1HG1 VAL 58 2HG1 VAL 58 12.566 -14.626 -6.111 427 2HG1 VAL 58 1HG1 VAL 58 11.737 -16.168 -6.142 428 3HG1 VAL 58 3HG1 VAL 58 12.057 -15.311 -7.647 429 1HG2 VAL 58 2HG2 VAL 58 9.337 -16.285 -6.672 430 2HG2 VAL 58 1HG2 VAL 58 8.418 -14.848 -7.072 431 3HG2 VAL 58 3HG2 VAL 58 9.626 -15.456 -8.196 No H/Q in entry = 431 Start of MODEL 10 1 1H GLU 1 1H GLU 1 -8.883 -12.294 -1.099 2 2H GLU 1 3H GLU 1 -10.257 -13.281 -1.059 3 3H GLU 1 2H GLU 1 -10.050 -12.194 0.180 4 HA GLU 1 HA GLU 1 -8.802 -13.652 1.351 5 1HB GLU 1 2HB GLU 1 -9.628 -15.412 -1.090 6 2HB GLU 1 1HB GLU 1 -9.041 -16.093 0.408 7 1HG GLU 1 2HG GLU 1 -11.749 -15.828 0.037 8 2HG GLU 1 1HG GLU 1 -11.149 -15.479 1.630 9 H THR 2 H THR 2 -6.449 -14.366 1.468 10 HA THR 2 HA THR 2 -4.142 -13.966 0.744 11 HB THR 2 HB THR 2 -3.533 -15.365 -1.246 12 HG1 THR 2 HG1 THR 2 -4.892 -15.224 -2.741 13 1HG2 THR 2 3HG2 THR 2 -4.422 -16.788 0.687 14 2HG2 THR 2 2HG2 THR 2 -6.005 -16.682 -0.092 15 3HG2 THR 2 1HG2 THR 2 -4.664 -17.417 -0.930 16 H ASP 3 H ASP 3 -3.190 -13.727 -1.643 17 HA ASP 3 HA ASP 3 -2.038 -11.831 -2.510 18 1HB ASP 3 2HB ASP 3 -4.427 -12.721 -4.124 19 2HB ASP 3 1HB ASP 3 -3.024 -11.847 -4.752 20 H ILE 4 H ILE 4 -2.972 -10.253 -0.801 21 HA ILE 4 HA ILE 4 -4.819 -8.218 -1.051 22 HB ILE 4 HB ILE 4 -3.196 -6.714 -0.053 23 1HG1 ILE 4 2HG1 ILE 4 -0.888 -8.120 0.530 24 2HG1 ILE 4 1HG1 ILE 4 -1.203 -8.779 -1.054 25 1HG2 ILE 4 2HG2 ILE 4 -4.345 -8.342 1.377 26 2HG2 ILE 4 1HG2 ILE 4 -3.121 -9.558 1.067 27 3HG2 ILE 4 3HG2 ILE 4 -2.715 -8.111 1.973 28 1HD1 ILE 4 3HD1 ILE 4 -1.296 -6.387 -1.959 29 2HD1 ILE 4 2HD1 ILE 4 -0.872 -5.842 -0.350 30 3HD1 ILE 4 1HD1 ILE 4 0.247 -6.820 -1.262 31 H CYS 5 H CYS 5 -2.121 -8.629 -2.951 32 HA CYS 5 HA CYS 5 -1.798 -6.284 -4.497 33 1HB CYS 5 2HB CYS 5 -1.292 -9.158 -5.189 34 2HB CYS 5 1HB CYS 5 -0.413 -7.777 -5.826 35 H LYS 6 H LYS 6 -4.220 -8.556 -4.719 36 HA LYS 6 HA LYS 6 -5.054 -7.939 -7.516 37 1HB LYS 6 2HB LYS 6 -6.374 -9.863 -5.552 38 2HB LYS 6 1HB LYS 6 -6.468 -9.923 -7.292 39 1HG LYS 6 2HG LYS 6 -3.871 -10.334 -5.746 40 2HG LYS 6 1HG LYS 6 -4.991 -11.634 -6.051 41 1HD LYS 6 2HD LYS 6 -4.595 -11.515 -8.470 42 2HD LYS 6 1HD LYS 6 -3.868 -9.932 -8.340 43 1HE LYS 6 2HE LYS 6 -2.225 -11.877 -8.786 44 2HE LYS 6 1HE LYS 6 -1.794 -10.800 -7.475 45 1HZ LYS 6 1HZ LYS 6 -3.449 -12.822 -6.328 46 2HZ LYS 6 3HZ LYS 6 -2.281 -13.620 -7.221 47 3HZ LYS 6 2HZ LYS 6 -1.861 -12.554 -6.063 48 H LEU 7 H LEU 7 -5.505 -6.610 -4.542 49 HA LEU 7 HA LEU 7 -8.297 -6.022 -4.793 50 1HB LEU 7 2HB LEU 7 -6.171 -4.966 -2.870 51 2HB LEU 7 1HB LEU 7 -7.891 -4.709 -2.653 52 HG LEU 7 HG LEU 7 -6.459 -7.428 -2.549 53 1HD1 LEU 7 2HD1 LEU 7 -7.772 -5.706 -0.404 54 2HD1 LEU 7 1HD1 LEU 7 -7.055 -7.288 -0.163 55 3HD1 LEU 7 3HD1 LEU 7 -6.043 -5.933 -0.620 56 1HD2 LEU 7 2HD2 LEU 7 -9.374 -6.657 -2.002 57 2HD2 LEU 7 1HD2 LEU 7 -8.829 -7.570 -3.402 58 3HD2 LEU 7 3HD2 LEU 7 -8.672 -8.254 -1.799 59 HA PRO 8 HA PRO 8 -7.373 -3.004 -7.828 60 1HB PRO 8 2HB PRO 8 -9.679 -1.445 -7.778 61 2HB PRO 8 1HB PRO 8 -9.624 -3.082 -8.440 62 1HG PRO 8 2HG PRO 8 -10.316 -2.271 -5.553 63 2HG PRO 8 1HG PRO 8 -11.329 -3.210 -6.662 64 1HD PRO 8 2HD PRO 8 -9.814 -4.550 -4.939 65 2HD PRO 8 1HD PRO 8 -9.722 -5.089 -6.636 66 H LYS 9 H LYS 9 -6.844 -0.796 -8.290 67 HA LYS 9 HA LYS 9 -5.842 0.567 -5.867 68 1HB LYS 9 2HB LYS 9 -4.291 -0.011 -7.671 69 2HB LYS 9 1HB LYS 9 -5.141 1.045 -8.770 70 1HG LYS 9 2HG LYS 9 -3.231 2.281 -7.979 71 2HG LYS 9 1HG LYS 9 -4.618 3.019 -7.250 72 1HD LYS 9 2HD LYS 9 -3.375 0.753 -5.678 73 2HD LYS 9 1HD LYS 9 -2.395 2.192 -5.834 74 1HE LYS 9 2HE LYS 9 -4.080 3.572 -4.825 75 2HE LYS 9 1HE LYS 9 -5.257 2.297 -4.818 76 1HZ LYS 9 3HZ LYS 9 -2.852 1.304 -3.583 77 2HZ LYS 9 2HZ LYS 9 -3.292 2.802 -2.916 78 3HZ LYS 9 1HZ LYS 9 -4.399 1.483 -2.978 79 H ASP 10 H ASP 10 -7.348 1.884 -4.966 80 HA ASP 10 HA ASP 10 -8.318 4.108 -6.661 81 1HB ASP 10 2HB ASP 10 -10.284 2.884 -5.957 82 2HB ASP 10 1HB ASP 10 -9.677 2.661 -4.317 83 H GLU 11 H GLU 11 -8.481 6.093 -5.693 84 HA GLU 11 HA GLU 11 -6.608 6.731 -3.420 85 1HB GLU 11 2HB GLU 11 -7.173 8.010 -6.035 86 2HB GLU 11 1HB GLU 11 -6.748 9.082 -4.724 87 1HG GLU 11 2HG GLU 11 -4.683 8.619 -5.737 88 2HG GLU 11 1HG GLU 11 -4.679 7.552 -4.349 89 H GLY 12 H GLY 12 -9.876 6.635 -3.504 90 1HA GLY 12 2HA GLY 12 -11.612 7.674 -2.331 91 2HA GLY 12 1HA GLY 12 -10.388 8.272 -1.242 92 H THR 13 H THR 13 -9.278 10.156 -2.145 93 HA THR 13 HA THR 13 -9.441 12.245 -3.693 94 HB THR 13 HB THR 13 -11.971 12.098 -4.040 95 HG1 THR 13 HG1 THR 13 -12.270 14.332 -3.070 96 1HG2 THR 13 2HG2 THR 13 -12.603 11.608 -1.589 97 2HG2 THR 13 1HG2 THR 13 -12.157 13.242 -1.173 98 3HG2 THR 13 3HG2 THR 13 -13.479 12.940 -2.285 99 H CYS 14 H CYS 14 -8.108 11.481 -1.522 100 HA CYS 14 HA CYS 14 -8.457 13.383 0.717 101 1HB CYS 14 2HB CYS 14 -6.300 11.334 0.201 102 2HB CYS 14 1HB CYS 14 -6.902 11.914 1.748 103 H ARG 15 H ARG 15 -8.345 14.887 -0.754 104 HA ARG 15 HA ARG 15 -7.075 16.301 -2.494 105 1HB ARG 15 2HB ARG 15 -8.617 17.183 -0.354 106 2HB ARG 15 1HB ARG 15 -7.064 17.755 0.138 107 1HG ARG 15 2HG ARG 15 -7.841 19.617 -1.024 108 2HG ARG 15 1HG ARG 15 -6.792 18.863 -2.185 109 1HD ARG 15 2HD ARG 15 -9.853 18.598 -2.144 110 2HD ARG 15 1HD ARG 15 -8.935 19.615 -3.242 111 HE ARG 15 HE ARG 15 -7.883 17.490 -4.188 112 1HH1 ARG 15 2HH1 ARG 15 -9.107 16.215 -1.791 113 2HH1 ARG 15 1HH1 ARG 15 -10.216 15.104 -2.560 114 1HH2 ARG 15 1HH2 ARG 15 -9.972 16.650 -5.516 115 2HH2 ARG 15 2HH2 ARG 15 -10.648 15.354 -4.540 116 H ASP 16 H ASP 16 -5.367 15.688 0.311 117 HA ASP 16 HA ASP 16 -2.970 17.220 -0.499 118 1HB ASP 16 2HB ASP 16 -3.359 15.584 2.059 119 2HB ASP 16 1HB ASP 16 -2.601 17.155 1.883 120 H PHE 17 H PHE 17 -3.633 15.400 -2.160 121 HA PHE 17 HA PHE 17 -2.907 12.756 -2.234 122 1HB PHE 17 2HB PHE 17 -2.294 14.768 -4.429 123 2HB PHE 17 1HB PHE 17 -2.500 13.048 -4.651 124 HD1 PHE 17 HD1 PHE 17 -4.816 12.220 -3.289 125 HD2 PHE 17 HD2 PHE 17 -4.152 15.940 -5.206 126 HE1 PHE 17 HE1 PHE 17 -7.208 12.458 -3.596 127 HE2 PHE 17 HE2 PHE 17 -6.565 16.211 -5.538 128 HZ PHE 17 HZ PHE 17 -8.126 14.450 -4.725 129 H ILE 18 H ILE 18 -1.216 11.636 -1.773 130 HA ILE 18 HA ILE 18 1.562 12.768 -2.222 131 HB ILE 18 HB ILE 18 0.706 12.289 0.342 132 1HG1 ILE 18 2HG1 ILE 18 3.427 11.314 -0.617 133 2HG1 ILE 18 1HG1 ILE 18 2.968 12.966 -0.234 134 1HG2 ILE 18 3HG2 ILE 18 -0.007 9.910 -0.330 135 2HG2 ILE 18 2HG2 ILE 18 1.679 9.531 -0.629 136 3HG2 ILE 18 1HG2 ILE 18 1.127 9.930 0.999 137 1HD1 ILE 18 1HD1 ILE 18 2.378 12.375 2.048 138 2HD1 ILE 18 3HD1 ILE 18 2.804 10.700 1.803 139 3HD1 ILE 18 2HD1 ILE 18 4.047 11.940 1.732 140 H LEU 19 H LEU 19 3.159 11.067 -2.806 141 HA LEU 19 HA LEU 19 1.841 9.092 -4.565 142 1HB LEU 19 2HB LEU 19 4.608 10.278 -4.424 143 2HB LEU 19 1HB LEU 19 4.409 8.813 -5.317 144 HG LEU 19 HG LEU 19 3.011 11.499 -5.913 145 1HD1 LEU 19 3HD1 LEU 19 5.127 10.036 -7.451 146 2HD1 LEU 19 2HD1 LEU 19 4.242 11.470 -7.993 147 3HD1 LEU 19 1HD1 LEU 19 5.279 11.548 -6.590 148 1HD2 LEU 19 3HD2 LEU 19 2.664 8.848 -7.396 149 2HD2 LEU 19 2HD2 LEU 19 1.440 9.694 -6.499 150 3HD2 LEU 19 1HD2 LEU 19 2.069 10.416 -7.936 151 H LYS 20 H LYS 20 1.976 7.012 -4.511 152 HA LYS 20 HA LYS 20 3.980 5.555 -2.896 153 1HB LYS 20 2HB LYS 20 0.956 5.447 -2.492 154 2HB LYS 20 1HB LYS 20 1.967 4.135 -1.917 155 1HG LYS 20 2HG LYS 20 2.170 7.056 -1.046 156 2HG LYS 20 1HG LYS 20 1.434 5.750 -0.144 157 1HD LYS 20 2HD LYS 20 3.512 4.527 0.124 158 2HD LYS 20 1HD LYS 20 4.390 5.582 -0.945 159 1HE LYS 20 2HE LYS 20 3.146 6.510 1.666 160 2HE LYS 20 1HE LYS 20 4.830 6.014 1.490 161 1HZ LYS 20 3HZ LYS 20 4.217 7.753 -0.651 162 2HZ LYS 20 2HZ LYS 20 3.665 8.516 0.744 163 3HZ LYS 20 1HZ LYS 20 5.294 8.058 0.597 164 H TRP 21 H TRP 21 3.625 2.996 -3.247 165 HA TRP 21 HA TRP 21 3.021 2.613 -6.161 166 1HB TRP 21 2HB TRP 21 5.038 1.128 -4.403 167 2HB TRP 21 1HB TRP 21 4.676 0.694 -6.061 168 HD1 TRP 21 HD1 TRP 21 6.298 3.533 -3.985 169 HE1 TRP 21 HE1 TRP 21 7.762 4.801 -5.641 170 HE3 TRP 21 HE3 TRP 21 5.115 1.155 -8.245 171 HZ2 TRP 21 HZ2 TRP 21 8.449 4.802 -8.403 172 HZ3 TRP 21 HZ3 TRP 21 6.186 1.728 -10.395 173 HH2 TRP 21 HH2 TRP 21 7.862 3.555 -10.495 174 H TYR 22 H TYR 22 2.123 0.643 -6.851 175 HA TYR 22 HA TYR 22 1.065 -1.280 -4.845 176 1HB TYR 22 2HB TYR 22 -1.185 -0.788 -5.132 177 2HB TYR 22 1HB TYR 22 -0.563 0.829 -5.378 178 HD1 TYR 22 HD1 TYR 22 -0.395 1.718 -7.813 179 HD2 TYR 22 HD2 TYR 22 -2.097 -2.056 -6.863 180 HE1 TYR 22 HE1 TYR 22 -1.517 1.588 -10.050 181 HE2 TYR 22 HE2 TYR 22 -3.176 -2.143 -9.081 182 HH TYR 22 HH TYR 22 -2.703 -0.971 -11.467 183 H TYR 23 H TYR 23 0.137 -3.123 -5.826 184 HA TYR 23 HA TYR 23 1.582 -3.884 -8.260 185 1HB TYR 23 2HB TYR 23 1.562 -5.242 -6.216 186 2HB TYR 23 1HB TYR 23 -0.170 -5.463 -6.371 187 HD1 TYR 23 HD1 TYR 23 -1.150 -6.681 -8.245 188 HD2 TYR 23 HD2 TYR 23 3.054 -6.390 -7.814 189 HE1 TYR 23 HE1 TYR 23 -0.847 -8.511 -9.904 190 HE2 TYR 23 HE2 TYR 23 3.340 -8.221 -9.451 191 HH TYR 23 HH TYR 23 2.364 -9.458 -10.921 192 H ASP 24 H ASP 24 0.795 -3.893 -10.103 193 HA ASP 24 HA ASP 24 -2.062 -3.583 -10.732 194 1HB ASP 24 2HB ASP 24 -0.598 -1.832 -11.310 195 2HB ASP 24 1HB ASP 24 0.442 -2.906 -12.231 196 HA PRO 25 HA PRO 25 -1.756 -7.944 -12.523 197 1HB PRO 25 2HB PRO 25 -4.529 -7.729 -13.077 198 2HB PRO 25 1HB PRO 25 -3.827 -8.500 -11.659 199 1HG PRO 25 2HG PRO 25 -4.703 -5.561 -11.951 200 2HG PRO 25 1HG PRO 25 -5.170 -6.685 -10.668 201 1HD PRO 25 2HD PRO 25 -3.206 -5.014 -10.139 202 2HD PRO 25 1HD PRO 25 -2.848 -6.716 -9.811 203 H ASN 26 H ASN 26 -2.308 -4.839 -14.068 204 HA ASN 26 HA ASN 26 -2.788 -6.126 -16.700 205 1HB ASN 26 2HB ASN 26 -3.700 -3.789 -16.033 206 2HB ASN 26 1HB ASN 26 -2.074 -3.178 -16.114 207 1HD2 ASN 26 2HD2 ASN 26 -2.578 -4.271 -19.786 208 2HD2 ASN 26 1HD2 ASN 26 -1.945 -5.328 -18.604 209 H THR 27 H THR 27 -0.157 -4.531 -15.090 210 HA THR 27 HA THR 27 1.808 -5.332 -17.229 211 HB THR 27 HB THR 27 2.089 -2.976 -16.232 212 HG1 THR 27 HG1 THR 27 3.870 -4.995 -16.442 213 1HG2 THR 27 1HG2 THR 27 1.507 -3.672 -13.794 214 2HG2 THR 27 3HG2 THR 27 3.062 -4.503 -13.781 215 3HG2 THR 27 2HG2 THR 27 3.001 -2.777 -14.012 216 H LYS 28 H LYS 28 0.738 -5.964 -14.089 217 HA LYS 28 HA LYS 28 0.829 -7.589 -12.598 218 1HB LYS 28 2HB LYS 28 0.360 -8.935 -14.350 219 2HB LYS 28 1HB LYS 28 1.798 -8.799 -15.223 220 1HG LYS 28 2HG LYS 28 1.270 -10.379 -12.695 221 2HG LYS 28 1HG LYS 28 1.116 -11.040 -14.266 222 1HD LYS 28 2HD LYS 28 3.650 -10.732 -12.616 223 2HD LYS 28 1HD LYS 28 3.413 -11.800 -13.944 224 1HE LYS 28 2HE LYS 28 4.394 -8.926 -14.069 225 2HE LYS 28 1HE LYS 28 5.228 -10.398 -14.508 226 1HZ LYS 28 2HZ LYS 28 2.782 -10.282 -15.900 227 2HZ LYS 28 1HZ LYS 28 3.538 -8.783 -16.048 228 3HZ LYS 28 3HZ LYS 28 4.336 -10.180 -16.603 229 H SER 29 H SER 29 2.596 -5.629 -12.456 230 HA SER 29 HA SER 29 4.661 -6.578 -10.584 231 1HB SER 29 2HB SER 29 5.982 -6.221 -12.728 232 2HB SER 29 1HB SER 29 5.283 -4.600 -12.900 233 HG SER 29 HG SER 29 7.365 -5.367 -11.199 234 H CYS 30 H CYS 30 5.475 -3.628 -10.412 235 HA CYS 30 HA CYS 30 2.905 -2.574 -9.279 236 1HB CYS 30 2HB CYS 30 5.688 -2.285 -8.152 237 2HB CYS 30 1HB CYS 30 4.223 -1.604 -7.504 238 H ALA 31 H ALA 31 2.402 -0.496 -9.303 239 HA ALA 31 HA ALA 31 3.943 1.434 -10.956 240 1HB ALA 31 2HB ALA 31 0.934 0.806 -11.063 241 2HB ALA 31 1HB ALA 31 1.715 2.057 -12.018 242 3HB ALA 31 3HB ALA 31 2.105 0.370 -12.288 243 H ARG 32 H ARG 32 2.619 3.615 -10.614 244 HA ARG 32 HA ARG 32 2.613 4.103 -7.729 245 1HB ARG 32 2HB ARG 32 3.016 5.808 -10.098 246 2HB ARG 32 1HB ARG 32 3.143 6.415 -8.420 247 1HG ARG 32 2HG ARG 32 5.074 4.959 -8.030 248 2HG ARG 32 1HG ARG 32 4.822 4.120 -9.537 249 1HD ARG 32 2HD ARG 32 6.621 5.630 -9.986 250 2HD ARG 32 1HD ARG 32 5.207 6.317 -10.762 251 HE ARG 32 HE ARG 32 6.110 7.177 -7.995 252 1HH1 ARG 32 1HH2 ARG 32 3.650 8.051 -8.805 253 2HH1 ARG 32 2HH2 ARG 32 3.868 9.630 -9.462 254 1HH2 ARG 32 2HH1 ARG 32 7.237 8.784 -9.833 255 2HH2 ARG 32 1HH1 ARG 32 6.128 10.087 -10.111 256 H PHE 33 H PHE 33 1.171 5.284 -6.659 257 HA PHE 33 HA PHE 33 -1.281 6.319 -8.064 258 1HB PHE 33 2HB PHE 33 -2.744 5.131 -6.642 259 2HB PHE 33 1HB PHE 33 -1.535 3.988 -7.059 260 HD1 PHE 33 HD1 PHE 33 0.176 3.285 -5.319 261 HD2 PHE 33 HD2 PHE 33 -3.129 5.775 -4.391 262 HE1 PHE 33 HE1 PHE 33 0.417 2.740 -2.935 263 HE2 PHE 33 HE2 PHE 33 -2.900 5.237 -2.010 264 HZ PHE 33 HZ PHE 33 -1.117 3.718 -1.269 265 H TRP 34 H TRP 34 -2.509 7.808 -6.842 266 HA TRP 34 HA TRP 34 -0.911 9.614 -5.056 267 1HB TRP 34 2HB TRP 34 -3.032 10.042 -7.249 268 2HB TRP 34 1HB TRP 34 -2.810 11.231 -6.063 269 HD1 TRP 34 HD1 TRP 34 -2.154 10.605 -9.207 270 HE1 TRP 34 HE1 TRP 34 -0.241 12.143 -10.080 271 HE3 TRP 34 HE3 TRP 34 -0.079 11.919 -4.871 272 HZ2 TRP 34 HZ2 TRP 34 1.847 13.738 -9.064 273 HZ3 TRP 34 HZ3 TRP 34 1.832 13.478 -4.771 274 HH2 TRP 34 HH2 TRP 34 2.818 14.384 -6.855 275 H TYR 35 H TYR 35 -2.174 8.074 -3.209 276 HA TYR 35 HA TYR 35 -4.901 9.135 -2.703 277 1HB TYR 35 2HB TYR 35 -5.110 7.671 -0.890 278 2HB TYR 35 1HB TYR 35 -3.992 6.818 -1.903 279 HD1 TYR 35 HD1 TYR 35 -1.458 6.910 -1.239 280 HD2 TYR 35 HD2 TYR 35 -4.545 8.414 1.276 281 HE1 TYR 35 HE1 TYR 35 0.065 6.936 0.715 282 HE2 TYR 35 HE2 TYR 35 -2.978 8.417 3.176 283 HH TYR 35 HH TYR 35 -0.654 8.541 3.509 284 H GLY 36 H GLY 36 -1.967 9.581 -0.728 285 1HA GLY 36 2HA GLY 36 -1.314 11.790 0.243 286 2HA GLY 36 1HA GLY 36 -2.948 12.350 -0.033 287 H GLY 37 H GLY 37 -4.555 11.491 1.258 288 1HA GLY 37 2HA GLY 37 -3.611 11.051 4.088 289 2HA GLY 37 1HA GLY 37 -5.113 11.841 3.687 290 H CYS 38 H CYS 38 -6.606 10.031 2.345 291 HA CYS 38 HA CYS 38 -7.030 7.998 4.420 292 1HB CYS 38 2HB CYS 38 -8.595 7.910 1.906 293 2HB CYS 38 1HB CYS 38 -9.139 7.921 3.555 294 H GLY 39 H GLY 39 -4.846 7.215 3.839 295 1HA GLY 39 2HA GLY 39 -3.297 5.761 2.561 296 2HA GLY 39 1HA GLY 39 -4.311 4.695 3.462 297 H GLY 40 H GLY 40 -6.473 4.390 1.952 298 1HA GLY 40 2HA GLY 40 -7.310 3.628 -0.208 299 2HA GLY 40 1HA GLY 40 -5.654 3.578 -0.818 300 H ASN 41 H ASN 41 -7.125 1.346 -1.249 301 HA ASN 41 HA ASN 41 -7.318 -0.663 0.712 302 1HB ASN 41 2HB ASN 41 -7.167 -2.234 -1.219 303 2HB ASN 41 1HB ASN 41 -8.094 -0.817 -1.677 304 1HD2 ASN 41 2HD2 ASN 41 -5.359 -1.656 -4.139 305 2HD2 ASN 41 1HD2 ASN 41 -6.321 -2.730 -3.289 306 H GLU 42 H GLU 42 -5.932 -2.721 0.964 307 HA GLU 42 HA GLU 42 -3.252 -1.890 1.816 308 1HB GLU 42 2HB GLU 42 -4.605 -4.597 1.999 309 2HB GLU 42 1HB GLU 42 -3.199 -4.053 2.893 310 1HG GLU 42 2HG GLU 42 -6.082 -3.082 3.228 311 2HG GLU 42 1HG GLU 42 -4.917 -3.526 4.453 312 H ASN 43 H ASN 43 -3.386 -1.648 -0.715 313 HA ASN 43 HA ASN 43 -1.197 -3.377 -1.861 314 1HB ASN 43 2HB ASN 43 -3.533 -3.850 -2.739 315 2HB ASN 43 1HB ASN 43 -3.699 -2.160 -3.210 316 1HD2 ASN 43 2HD2 ASN 43 -2.717 -3.886 -6.266 317 2HD2 ASN 43 1HD2 ASN 43 -4.120 -3.745 -5.312 318 H LYS 44 H LYS 44 -0.300 -1.812 -0.554 319 HA LYS 44 HA LYS 44 0.422 0.704 -1.904 320 1HB LYS 44 2HB LYS 44 -0.077 2.094 0.018 321 2HB LYS 44 1HB LYS 44 -1.504 1.371 -0.705 322 1HG LYS 44 2HG LYS 44 -1.805 -0.189 1.048 323 2HG LYS 44 1HG LYS 44 -0.163 -0.050 1.628 324 1HD LYS 44 2HD LYS 44 -1.039 1.371 3.127 325 2HD LYS 44 1HD LYS 44 -0.863 2.532 1.835 326 1HE LYS 44 2HE LYS 44 -3.095 2.825 2.773 327 2HE LYS 44 1HE LYS 44 -3.240 2.162 1.155 328 1HZ LYS 44 1HZ LYS 44 -2.972 -0.053 2.954 329 2HZ LYS 44 3HZ LYS 44 -4.164 0.847 3.565 330 3HZ LYS 44 2HZ LYS 44 -4.308 0.387 2.058 331 H PHE 45 H PHE 45 2.459 0.676 -2.086 332 HA PHE 45 HA PHE 45 4.267 0.174 0.263 333 1HB PHE 45 2HB PHE 45 4.834 -0.428 -2.685 334 2HB PHE 45 1HB PHE 45 5.827 -0.890 -1.322 335 HD1 PHE 45 HD2 PHE 45 5.079 -2.662 0.210 336 HD2 PHE 45 HD1 PHE 45 2.743 -1.565 -3.156 337 HE1 PHE 45 HE2 PHE 45 3.746 -4.727 0.456 338 HE2 PHE 45 HE1 PHE 45 1.413 -3.627 -2.925 339 HZ PHE 45 HZ PHE 45 1.881 -5.185 -1.130 340 H GLY 46 H GLY 46 6.399 1.064 -0.031 341 1HA GLY 46 2HA GLY 46 6.359 3.991 -0.537 342 2HA GLY 46 1HA GLY 46 7.695 3.067 0.159 343 H SER 47 H SER 47 7.885 1.232 -1.928 344 HA SER 47 HA SER 47 8.806 2.816 -4.307 345 1HB SER 47 2HB SER 47 10.530 0.999 -2.686 346 2HB SER 47 1HB SER 47 10.907 1.393 -4.385 347 HG SER 47 HG SER 47 10.097 3.416 -2.576 348 H GLN 48 H GLN 48 9.159 1.712 -6.317 349 HA GLN 48 HA GLN 48 7.183 -0.166 -7.023 350 1HB GLN 48 2HB GLN 48 8.494 1.253 -8.628 351 2HB GLN 48 1HB GLN 48 9.915 0.288 -8.351 352 1HG GLN 48 2HG GLN 48 7.318 -1.001 -9.367 353 2HG GLN 48 1HG GLN 48 8.503 -0.361 -10.484 354 1HE2 GLN 48 2HE2 GLN 48 8.892 -4.020 -9.742 355 2HE2 GLN 48 1HE2 GLN 48 7.474 -3.143 -9.970 356 H LYS 49 H LYS 49 10.582 -0.828 -6.691 357 HA LYS 49 HA LYS 49 10.310 -3.628 -6.790 358 1HB LYS 49 2HB LYS 49 12.482 -1.845 -5.478 359 2HB LYS 49 1HB LYS 49 12.652 -3.589 -5.531 360 1HG LYS 49 2HG LYS 49 12.222 -1.867 -8.027 361 2HG LYS 49 1HG LYS 49 13.792 -2.426 -7.487 362 1HD LYS 49 2HD LYS 49 13.178 -4.771 -7.780 363 2HD LYS 49 1HD LYS 49 11.492 -4.418 -8.041 364 1HE LYS 49 2HE LYS 49 12.173 -3.109 -10.127 365 2HE LYS 49 1HE LYS 49 13.750 -3.886 -9.959 366 1HZ LYS 49 1HZ LYS 49 11.713 -5.762 -9.418 367 2HZ LYS 49 3HZ LYS 49 11.256 -5.119 -10.798 368 3HZ LYS 49 2HZ LYS 49 12.740 -5.919 -10.681 369 H GLU 50 H GLU 50 10.204 -1.585 -3.919 370 HA GLU 50 HA GLU 50 10.070 -3.433 -1.878 371 1HB GLU 50 2HB GLU 50 10.053 -1.069 -1.666 372 2HB GLU 50 1HB GLU 50 8.421 -0.989 -2.327 373 1HG GLU 50 2HG GLU 50 7.790 -2.538 -0.268 374 2HG GLU 50 1HG GLU 50 9.322 -1.996 0.395 375 H CYS 51 H CYS 51 7.396 -2.178 -3.717 376 HA CYS 51 HA CYS 51 5.285 -3.919 -2.914 377 1HB CYS 51 2HB CYS 51 4.972 -1.776 -4.103 378 2HB CYS 51 1HB CYS 51 5.808 -2.393 -5.486 379 H GLU 52 H GLU 52 7.226 -4.126 -5.870 380 HA GLU 52 HA GLU 52 6.242 -6.630 -6.865 381 1HB GLU 52 2HB GLU 52 7.806 -4.955 -8.071 382 2HB GLU 52 1HB GLU 52 9.093 -5.380 -6.977 383 1HG GLU 52 2HG GLU 52 8.940 -7.818 -7.835 384 2HG GLU 52 1HG GLU 52 7.761 -7.276 -9.018 385 H LYS 53 H LYS 53 8.920 -6.138 -4.649 386 HA LYS 53 HA LYS 53 9.532 -8.854 -4.235 387 1HB LYS 53 2HB LYS 53 10.729 -6.668 -3.418 388 2HB LYS 53 1HB LYS 53 9.583 -6.616 -2.103 389 1HG LYS 53 2HG LYS 53 11.262 -9.094 -2.627 390 2HG LYS 53 1HG LYS 53 11.930 -7.756 -1.729 391 1HD LYS 53 2HD LYS 53 10.564 -8.066 0.142 392 2HD LYS 53 1HD LYS 53 9.225 -8.754 -0.717 393 1HE LYS 53 2HE LYS 53 11.891 -10.138 -0.205 394 2HE LYS 53 1HE LYS 53 10.382 -10.470 0.651 395 1HZ LYS 53 1HZ LYS 53 9.824 -10.576 -2.145 396 2HZ LYS 53 3HZ LYS 53 11.197 -11.385 -1.950 397 3HZ LYS 53 2HZ LYS 53 9.897 -11.921 -1.192 398 H VAL 54 H VAL 54 6.777 -7.144 -3.079 399 HA VAL 54 HA VAL 54 5.947 -9.243 -1.169 400 HB VAL 54 HB VAL 54 4.937 -6.478 -1.956 401 1HG1 VAL 54 3HG1 VAL 54 3.740 -8.413 0.129 402 2HG1 VAL 54 2HG1 VAL 54 3.238 -6.747 -0.093 403 3HG1 VAL 54 1HG1 VAL 54 2.956 -7.911 -1.358 404 1HG2 VAL 54 1HG2 VAL 54 6.073 -7.561 0.658 405 2HG2 VAL 54 3HG2 VAL 54 6.905 -6.519 -0.495 406 3HG2 VAL 54 2HG2 VAL 54 5.523 -5.917 0.381 407 H CYS 55 H CYS 55 4.713 -7.720 -4.047 408 HA CYS 55 HA CYS 55 2.543 -9.715 -4.327 409 1HB CYS 55 2HB CYS 55 3.267 -7.201 -5.810 410 2HB CYS 55 1HB CYS 55 1.844 -8.176 -6.148 411 H ALA 56 H ALA 56 5.585 -9.253 -5.824 412 HA ALA 56 HA ALA 56 4.953 -11.139 -8.066 413 1HB ALA 56 2HB ALA 56 6.142 -8.919 -8.547 414 2HB ALA 56 1HB ALA 56 7.427 -9.449 -7.476 415 3HB ALA 56 3HB ALA 56 7.153 -10.309 -8.956 416 HA PRO 57 HA PRO 57 6.177 -12.844 -4.014 417 1HB PRO 57 2HB PRO 57 5.656 -15.603 -4.393 418 2HB PRO 57 1HB PRO 57 4.499 -14.376 -3.879 419 1HG PRO 57 2HG PRO 57 5.128 -15.252 -6.760 420 2HG PRO 57 1HG PRO 57 3.536 -15.202 -5.981 421 1HD PRO 57 2HD PRO 57 4.154 -13.087 -7.436 422 2HD PRO 57 1HD PRO 57 3.675 -12.759 -5.747 423 H VAL 58 HN VAL 58 8.456 -12.244 -5.011 424 HA VAL 58 HA VAL 58 10.285 -14.538 -4.417 425 HB VAL 58 HB VAL 58 10.646 -12.215 -6.380 426 1HG1 VAL 58 1HG1 VAL 58 12.499 -14.566 -5.734 427 2HG1 VAL 58 3HG1 VAL 58 12.797 -13.371 -6.996 428 3HG1 VAL 58 2HG1 VAL 58 12.780 -12.887 -5.304 429 1HG2 VAL 58 1HG2 VAL 58 10.377 -15.231 -6.869 430 2HG2 VAL 58 3HG2 VAL 58 9.160 -14.019 -7.238 431 3HG2 VAL 58 2HG2 VAL 58 10.675 -14.028 -8.125 No H/Q in entry = 431 Start of MODEL 11 1 1H GLU 1 3H GLU 1 -9.534 -8.295 0.816 2 2H GLU 1 2H GLU 1 -10.723 -8.168 2.006 3 3H GLU 1 1H GLU 1 -9.424 -7.134 2.093 4 HA GLU 1 HA GLU 1 -8.202 -8.630 3.255 5 1HB GLU 1 2HB GLU 1 -10.932 -10.126 3.095 6 2HB GLU 1 1HB GLU 1 -9.696 -10.506 4.273 7 1HG GLU 1 2HG GLU 1 -11.672 -8.796 5.018 8 2HG GLU 1 1HG GLU 1 -10.069 -8.321 5.493 9 H THR 2 H THR 2 -6.748 -10.560 2.775 10 HA THR 2 HA THR 2 -5.796 -12.213 1.297 11 HB THR 2 HB THR 2 -8.299 -12.522 -0.440 12 HG1 THR 2 HG1 THR 2 -9.565 -12.769 1.231 13 1HG2 THR 2 3HG2 THR 2 -7.156 -14.472 1.667 14 2HG2 THR 2 2HG2 THR 2 -8.223 -14.855 0.350 15 3HG2 THR 2 1HG2 THR 2 -6.546 -14.496 0.017 16 H ASP 3 H ASP 3 -5.506 -12.497 -1.196 17 HA ASP 3 HA ASP 3 -4.133 -11.355 -2.726 18 1HB ASP 3 2HB ASP 3 -7.096 -11.465 -3.183 19 2HB ASP 3 1HB ASP 3 -6.084 -10.876 -4.469 20 H ILE 4 H ILE 4 -3.920 -9.375 -0.946 21 HA ILE 4 HA ILE 4 -4.827 -6.816 -1.393 22 HB ILE 4 HB ILE 4 -2.721 -5.986 -0.566 23 1HG1 ILE 4 2HG1 ILE 4 -1.644 -8.863 -0.796 24 2HG1 ILE 4 1HG1 ILE 4 -1.180 -7.565 -1.879 25 1HG2 ILE 4 3HG2 ILE 4 -4.348 -7.026 1.014 26 2HG2 ILE 4 2HG2 ILE 4 -3.605 -8.598 0.795 27 3HG2 ILE 4 1HG2 ILE 4 -2.722 -7.299 1.574 28 1HD1 ILE 4 3HD1 ILE 4 -0.291 -6.231 -0.012 29 2HD1 ILE 4 2HD1 ILE 4 -0.704 -7.491 1.133 30 3HD1 ILE 4 1HD1 ILE 4 0.497 -7.795 -0.106 31 H CYS 5 H CYS 5 -2.526 -8.451 -3.195 32 HA CYS 5 HA CYS 5 -1.583 -6.401 -4.987 33 1HB CYS 5 2HB CYS 5 -1.659 -9.410 -5.253 34 2HB CYS 5 1HB CYS 5 -0.595 -8.346 -6.157 35 H LYS 6 H LYS 6 -4.537 -7.827 -4.937 36 HA LYS 6 HA LYS 6 -5.173 -7.161 -7.788 37 1HB LYS 6 2HB LYS 6 -6.244 -9.266 -5.855 38 2HB LYS 6 1HB LYS 6 -6.995 -8.946 -7.409 39 1HG LYS 6 2HG LYS 6 -5.157 -9.880 -8.654 40 2HG LYS 6 1HG LYS 6 -4.000 -9.476 -7.425 41 1HD LYS 6 2HD LYS 6 -4.298 -11.937 -7.502 42 2HD LYS 6 1HD LYS 6 -4.728 -11.269 -5.962 43 1HE LYS 6 2HE LYS 6 -7.137 -11.548 -6.447 44 2HE LYS 6 1HE LYS 6 -6.791 -12.089 -8.085 45 1HZ LYS 6 2HZ LYS 6 -5.216 -13.496 -6.121 46 2HZ LYS 6 1HZ LYS 6 -6.769 -13.614 -5.708 47 3HZ LYS 6 3HZ LYS 6 -6.304 -14.207 -7.213 48 H LEU 7 H LEU 7 -5.288 -5.638 -5.080 49 HA LEU 7 HA LEU 7 -8.055 -4.807 -5.144 50 1HB LEU 7 2HB LEU 7 -5.805 -4.038 -3.243 51 2HB LEU 7 1HB LEU 7 -7.492 -3.617 -3.022 52 HG LEU 7 HG LEU 7 -6.330 -6.435 -3.019 53 1HD1 LEU 7 3HD1 LEU 7 -5.906 -5.025 -0.953 54 2HD1 LEU 7 2HD1 LEU 7 -7.637 -4.748 -0.810 55 3HD1 LEU 7 1HD1 LEU 7 -6.989 -6.366 -0.619 56 1HD2 LEU 7 3HD2 LEU 7 -9.201 -5.490 -2.526 57 2HD2 LEU 7 2HD2 LEU 7 -8.644 -6.411 -3.917 58 3HD2 LEU 7 1HD2 LEU 7 -8.608 -7.135 -2.332 59 HA PRO 8 HA PRO 8 -6.075 -2.325 -8.258 60 1HB PRO 8 2HB PRO 8 -8.283 -1.129 -9.399 61 2HB PRO 8 1HB PRO 8 -7.930 -2.857 -9.553 62 1HG PRO 8 2HG PRO 8 -9.643 -1.493 -7.388 63 2HG PRO 8 1HG PRO 8 -10.179 -2.733 -8.532 64 1HD PRO 8 2HD PRO 8 -9.365 -3.520 -6.124 65 2HD PRO 8 1HD PRO 8 -8.708 -4.411 -7.520 66 H LYS 9 H LYS 9 -6.377 -0.205 -9.316 67 HA LYS 9 HA LYS 9 -4.992 1.870 -8.024 68 1HB LYS 9 2HB LYS 9 -7.097 2.347 -10.201 69 2HB LYS 9 1HB LYS 9 -5.647 3.276 -9.942 70 1HG LYS 9 2HG LYS 9 -4.271 1.248 -10.567 71 2HG LYS 9 1HG LYS 9 -5.736 0.357 -10.966 72 1HD LYS 9 2HD LYS 9 -6.250 2.437 -12.542 73 2HD LYS 9 1HD LYS 9 -4.546 2.772 -12.390 74 1HE LYS 9 2HE LYS 9 -5.810 0.271 -13.613 75 2HE LYS 9 1HE LYS 9 -4.900 1.511 -14.459 76 1HZ LYS 9 1HZ LYS 9 -3.346 0.424 -12.287 77 2HZ LYS 9 3HZ LYS 9 -3.815 -0.805 -13.221 78 3HZ LYS 9 2HZ LYS 9 -2.943 0.362 -13.910 79 H ASP 10 H ASP 10 -5.804 2.083 -5.976 80 HA ASP 10 HA ASP 10 -8.290 3.693 -5.652 81 1HB ASP 10 2HB ASP 10 -8.835 1.677 -4.728 82 2HB ASP 10 1HB ASP 10 -7.204 1.279 -4.261 83 H GLU 11 H GLU 11 -7.418 5.834 -5.607 84 HA GLU 11 HA GLU 11 -5.356 6.820 -3.961 85 1HB GLU 11 2HB GLU 11 -7.955 8.060 -4.958 86 2HB GLU 11 1HB GLU 11 -6.886 8.973 -3.902 87 1HG GLU 11 2HG GLU 11 -6.371 9.418 -6.300 88 2HG GLU 11 1HG GLU 11 -5.047 8.698 -5.415 89 H GLY 12 H GLY 12 -8.722 6.209 -2.940 90 1HA GLY 12 2HA GLY 12 -9.305 5.390 -0.721 91 2HA GLY 12 1HA GLY 12 -7.827 6.101 -0.079 92 H THR 13 H THR 13 -9.136 7.062 1.523 93 HA THR 13 HA THR 13 -10.726 9.487 0.575 94 HB THR 13 HB THR 13 -11.251 7.864 3.138 95 HG1 THR 13 HG1 THR 13 -11.851 7.651 0.525 96 1HG2 THR 13 3HG2 THR 13 -12.926 9.952 1.653 97 2HG2 THR 13 2HG2 THR 13 -13.323 9.123 3.141 98 3HG2 THR 13 1HG2 THR 13 -12.074 10.349 3.149 99 H CYS 14 H CYS 14 -10.712 11.330 1.700 100 HA CYS 14 HA CYS 14 -10.092 13.022 3.306 101 1HB CYS 14 2HB CYS 14 -7.620 11.265 3.765 102 2HB CYS 14 1HB CYS 14 -7.761 12.839 4.413 103 H ARG 15 H ARG 15 -7.193 13.920 3.243 104 HA ARG 15 HA ARG 15 -7.004 14.623 0.363 105 1HB ARG 15 2HB ARG 15 -6.755 16.451 2.808 106 2HB ARG 15 1HB ARG 15 -6.268 17.012 1.234 107 1HG ARG 15 2HG ARG 15 -9.079 15.940 1.746 108 2HG ARG 15 1HG ARG 15 -8.669 17.606 2.058 109 1HD ARG 15 2HD ARG 15 -9.706 17.348 -0.169 110 2HD ARG 15 1HD ARG 15 -8.049 17.928 -0.318 111 HE ARG 15 HE ARG 15 -8.671 14.956 -0.529 112 1HH1 ARG 15 2HH1 ARG 15 -5.938 15.745 -0.751 113 2HH1 ARG 15 1HH1 ARG 15 -5.718 15.727 -2.463 114 1HH2 ARG 15 1HH2 ARG 15 -9.100 16.056 -2.922 115 2HH2 ARG 15 2HH2 ARG 15 -7.567 15.992 -3.755 116 H ASP 16 H ASP 16 -5.308 12.841 2.008 117 HA ASP 16 HA ASP 16 -2.598 13.921 1.633 118 1HB ASP 16 2HB ASP 16 -3.178 12.998 3.795 119 2HB ASP 16 1HB ASP 16 -3.872 11.568 3.045 120 H PHE 17 H PHE 17 -2.877 13.917 -0.612 121 HA PHE 17 HA PHE 17 -3.094 11.486 -2.229 122 1HB PHE 17 2HB PHE 17 -2.113 14.263 -3.011 123 2HB PHE 17 1HB PHE 17 -2.194 12.905 -4.102 124 HD1 PHE 17 HD1 PHE 17 -4.938 12.563 -1.820 125 HD2 PHE 17 HD2 PHE 17 -3.633 14.596 -5.328 126 HE1 PHE 17 HE1 PHE 17 -7.248 12.892 -2.481 127 HE2 PHE 17 HE2 PHE 17 -5.959 14.937 -5.999 128 HZ PHE 17 HZ PHE 17 -7.791 14.071 -4.580 129 H ILE 18 H ILE 18 -0.153 13.269 -2.333 130 HA ILE 18 HA ILE 18 2.025 12.571 -2.906 131 HB ILE 18 HB ILE 18 2.841 11.779 -0.817 132 1HG1 ILE 18 2HG1 ILE 18 1.971 9.424 0.068 133 2HG1 ILE 18 1HG1 ILE 18 1.462 9.216 -1.583 134 1HG2 ILE 18 3HG2 ILE 18 0.690 12.663 0.163 135 2HG2 ILE 18 2HG2 ILE 18 -0.036 11.086 -0.030 136 3HG2 ILE 18 1HG2 ILE 18 1.287 11.300 1.054 137 1HD1 ILE 18 2HD1 ILE 18 3.893 9.703 -2.318 138 2HD1 ILE 18 1HD1 ILE 18 4.312 9.908 -0.634 139 3HD1 ILE 18 3HD1 ILE 18 3.815 8.346 -1.238 140 H LEU 19 H LEU 19 3.496 10.900 -3.874 141 HA LEU 19 HA LEU 19 1.827 9.162 -5.638 142 1HB LEU 19 2HB LEU 19 4.677 10.192 -5.788 143 2HB LEU 19 1HB LEU 19 4.223 8.841 -6.776 144 HG LEU 19 HG LEU 19 2.916 11.656 -6.913 145 1HD1 LEU 19 1HD1 LEU 19 5.144 11.488 -8.029 146 2HD1 LEU 19 3HD1 LEU 19 4.550 10.125 -8.969 147 3HD1 LEU 19 2HD1 LEU 19 3.837 11.709 -9.174 148 1HD2 LEU 19 3HD2 LEU 19 2.338 9.168 -8.618 149 2HD2 LEU 19 2HD2 LEU 19 1.224 9.838 -7.443 150 3HD2 LEU 19 1HD2 LEU 19 1.654 10.759 -8.851 151 H LYS 20 H LYS 20 1.694 7.077 -5.467 152 HA LYS 20 HA LYS 20 3.809 5.613 -3.924 153 1HB LYS 20 2HB LYS 20 0.785 5.271 -3.766 154 2HB LYS 20 1HB LYS 20 1.907 4.199 -2.956 155 1HG LYS 20 2HG LYS 20 2.869 6.611 -2.042 156 2HG LYS 20 1HG LYS 20 1.271 7.145 -2.483 157 1HD LYS 20 2HD LYS 20 1.130 6.552 -0.148 158 2HD LYS 20 1HD LYS 20 0.283 5.298 -1.038 159 1HE LYS 20 2HE LYS 20 2.372 3.884 -0.982 160 2HE LYS 20 1HE LYS 20 3.178 5.146 -0.069 161 1HZ LYS 20 2HZ LYS 20 0.682 4.606 1.177 162 2HZ LYS 20 1HZ LYS 20 1.457 3.117 0.881 163 3HZ LYS 20 3HZ LYS 20 2.220 4.299 1.812 164 H TRP 21 H TRP 21 3.659 3.064 -4.312 165 HA TRP 21 HA TRP 21 3.222 2.624 -7.240 166 1HB TRP 21 2HB TRP 21 5.040 1.142 -5.251 167 2HB TRP 21 1HB TRP 21 4.821 0.662 -6.913 168 HD1 TRP 21 HD1 TRP 21 6.399 3.546 -4.797 169 HE1 TRP 21 HE1 TRP 21 8.072 4.630 -6.355 170 HE3 TRP 21 HE3 TRP 21 5.513 0.978 -9.046 171 HZ2 TRP 21 HZ2 TRP 21 9.080 4.407 -8.999 172 HZ3 TRP 21 HZ3 TRP 21 6.857 1.352 -11.078 173 HH2 TRP 21 HH2 TRP 21 8.669 3.067 -11.073 174 H TYR 22 H TYR 22 1.809 1.042 -7.833 175 HA TYR 22 HA TYR 22 0.642 -0.712 -5.696 176 1HB TYR 22 2HB TYR 22 -1.389 0.396 -6.018 177 2HB TYR 22 1HB TYR 22 -0.530 1.568 -6.984 178 HD1 TYR 22 HD1 TYR 22 -0.102 0.925 -9.515 179 HD2 TYR 22 HD2 TYR 22 -2.986 -0.808 -6.956 180 HE1 TYR 22 HE1 TYR 22 -1.339 0.064 -11.493 181 HE2 TYR 22 HE2 TYR 22 -4.215 -1.676 -8.934 182 HH TYR 22 HH TYR 22 -3.156 -2.118 -11.621 183 H TYR 23 H TYR 23 0.045 -2.758 -6.446 184 HA TYR 23 HA TYR 23 1.528 -3.713 -8.808 185 1HB TYR 23 2HB TYR 23 1.289 -4.951 -6.517 186 2HB TYR 23 1HB TYR 23 -0.367 -5.282 -6.966 187 HD1 TYR 23 HD1 TYR 23 3.097 -5.634 -8.314 188 HD2 TYR 23 HD2 TYR 23 -0.792 -7.292 -8.142 189 HE1 TYR 23 HE1 TYR 23 3.878 -7.604 -9.556 190 HE2 TYR 23 HE2 TYR 23 -0.014 -9.272 -9.394 191 HH TYR 23 HH TYR 23 3.336 -9.338 -10.551 192 H ASP 24 H ASP 24 0.704 -3.981 -10.690 193 HA ASP 24 HA ASP 24 -2.244 -3.723 -11.189 194 1HB ASP 24 2HB ASP 24 -0.532 -1.870 -11.799 195 2HB ASP 24 1HB ASP 24 -0.003 -2.910 -13.098 196 HA PRO 25 HA PRO 25 -1.330 -8.234 -12.090 197 1HB PRO 25 2HB PRO 25 -4.204 -8.245 -12.630 198 2HB PRO 25 1HB PRO 25 -3.348 -8.989 -11.285 199 1HG PRO 25 2HG PRO 25 -4.573 -6.206 -11.444 200 2HG PRO 25 1HG PRO 25 -4.478 -7.281 -10.044 201 1HD PRO 25 2HD PRO 25 -2.852 -5.229 -10.113 202 2HD PRO 25 1HD PRO 25 -2.129 -6.792 -9.717 203 H ASN 26 H ASN 26 -2.797 -5.828 -14.085 204 HA ASN 26 HA ASN 26 -3.093 -7.213 -16.570 205 1HB ASN 26 2HB ASN 26 -2.619 -4.241 -15.914 206 2HB ASN 26 1HB ASN 26 -3.191 -4.840 -17.469 207 1HD2 ASN 26 2HD2 ASN 26 -5.849 -4.410 -14.617 208 2HD2 ASN 26 1HD2 ASN 26 -4.269 -3.786 -14.417 209 H THR 27 H THR 27 -0.468 -5.721 -15.108 210 HA THR 27 HA THR 27 1.458 -6.488 -17.327 211 HB THR 27 HB THR 27 1.505 -4.005 -17.058 212 HG1 THR 27 HG1 THR 27 3.580 -5.687 -16.498 213 1HG2 THR 27 3HG2 THR 27 0.803 -3.956 -14.600 214 2HG2 THR 27 2HG2 THR 27 2.399 -4.575 -14.197 215 3HG2 THR 27 1HG2 THR 27 2.238 -3.019 -14.971 216 H LYS 28 H LYS 28 0.657 -6.772 -14.086 217 HA LYS 28 HA LYS 28 1.308 -7.996 -12.362 218 1HB LYS 28 2HB LYS 28 2.892 -9.417 -14.576 219 2HB LYS 28 1HB LYS 28 2.943 -9.993 -12.941 220 1HG LYS 28 2HG LYS 28 0.231 -9.920 -13.218 221 2HG LYS 28 1HG LYS 28 0.621 -9.833 -14.896 222 1HD LYS 28 2HD LYS 28 0.352 -12.331 -14.191 223 2HD LYS 28 1HD LYS 28 1.897 -11.977 -14.899 224 1HE LYS 28 2HE LYS 28 2.009 -13.390 -12.815 225 2HE LYS 28 1HE LYS 28 3.036 -11.970 -12.761 226 1HZ LYS 28 1HZ LYS 28 0.402 -11.296 -11.965 227 2HZ LYS 28 3HZ LYS 28 0.927 -12.571 -10.970 228 3HZ LYS 28 2HZ LYS 28 1.778 -11.101 -11.060 229 H SER 29 H SER 29 2.715 -5.751 -12.871 230 HA SER 29 HA SER 29 5.010 -6.070 -11.075 231 1HB SER 29 2HB SER 29 6.025 -5.885 -13.352 232 2HB SER 29 1HB SER 29 4.933 -4.571 -13.798 233 HG SER 29 HG SER 29 6.472 -3.320 -12.978 234 H CYS 30 H CYS 30 5.322 -3.072 -11.181 235 HA CYS 30 HA CYS 30 2.590 -2.227 -10.304 236 1HB CYS 30 2HB CYS 30 5.215 -1.680 -8.921 237 2HB CYS 30 1HB CYS 30 3.712 -0.887 -8.515 238 H ALA 31 H ALA 31 2.106 -0.158 -10.259 239 HA ALA 31 HA ALA 31 3.573 1.691 -12.079 240 1HB ALA 31 1HB ALA 31 1.630 0.558 -13.247 241 2HB ALA 31 3HB ALA 31 0.556 1.091 -11.979 242 3HB ALA 31 2HB ALA 31 1.283 2.268 -13.057 243 H ARG 32 H ARG 32 2.475 3.909 -11.661 244 HA ARG 32 HA ARG 32 2.296 4.243 -8.750 245 1HB ARG 32 2HB ARG 32 3.862 5.479 -10.851 246 2HB ARG 32 1HB ARG 32 3.015 6.720 -9.960 247 1HG ARG 32 2HG ARG 32 3.971 6.095 -7.851 248 2HG ARG 32 1HG ARG 32 4.484 4.526 -8.412 249 1HD ARG 32 2HD ARG 32 5.644 7.165 -9.411 250 2HD ARG 32 1HD ARG 32 6.363 6.137 -8.160 251 HE ARG 32 HE ARG 32 6.409 4.244 -9.851 252 1HH1 ARG 32 2HH1 ARG 32 5.441 4.111 -11.892 253 2HH1 ARG 32 1HH1 ARG 32 6.210 5.027 -13.151 254 1HH2 ARG 32 1HH2 ARG 32 7.677 6.911 -10.631 255 2HH2 ARG 32 2HH2 ARG 32 7.609 6.788 -12.362 256 H PHE 33 H PHE 33 0.970 5.528 -7.802 257 HA PHE 33 HA PHE 33 -1.113 7.070 -9.242 258 1HB PHE 33 2HB PHE 33 -2.978 5.639 -8.605 259 2HB PHE 33 1HB PHE 33 -1.740 4.497 -9.067 260 HD1 PHE 33 HD1 PHE 33 -0.085 3.868 -6.986 261 HD2 PHE 33 HD2 PHE 33 -4.125 5.159 -6.739 262 HE1 PHE 33 HE1 PHE 33 -0.312 2.761 -4.826 263 HE2 PHE 33 HE2 PHE 33 -4.368 4.087 -4.609 264 HZ PHE 33 HZ PHE 33 -2.425 2.860 -3.607 265 H TRP 34 H TRP 34 -2.827 7.663 -7.164 266 HA TRP 34 HA TRP 34 -1.011 8.956 -5.174 267 1HB TRP 34 2HB TRP 34 -3.749 9.706 -6.439 268 2HB TRP 34 1HB TRP 34 -3.129 10.728 -5.256 269 HD1 TRP 34 HD1 TRP 34 -3.445 10.178 -8.519 270 HE1 TRP 34 HE1 TRP 34 -1.884 11.741 -9.929 271 HE3 TRP 34 HE3 TRP 34 -0.347 11.706 -4.965 272 HZ2 TRP 34 HZ2 TRP 34 0.348 13.429 -9.538 273 HZ3 TRP 34 HZ3 TRP 34 1.490 13.304 -5.412 274 HH2 TRP 34 HH2 TRP 34 1.844 14.170 -7.703 275 H TYR 35 H TYR 35 -2.482 9.683 -3.232 276 HA TYR 35 HA TYR 35 -3.973 7.337 -2.186 277 1HB TYR 35 2HB TYR 35 -1.569 7.509 -1.339 278 2HB TYR 35 1HB TYR 35 -1.969 9.066 -0.646 279 HD1 TYR 35 HD2 TYR 35 -3.901 5.839 -0.689 280 HD2 TYR 35 HD1 TYR 35 -2.042 8.884 1.631 281 HE1 TYR 35 HE2 TYR 35 -4.753 4.813 1.404 282 HE2 TYR 35 HE1 TYR 35 -2.885 7.855 3.674 283 HH TYR 35 HH TYR 35 -4.637 6.353 4.392 284 H GLY 36 H GLY 36 -4.932 8.143 0.070 285 1HA GLY 36 2HA GLY 36 -6.460 10.700 -0.392 286 2HA GLY 36 1HA GLY 36 -7.251 9.260 0.203 287 H GLY 37 H GLY 37 -5.389 8.539 2.093 288 1HA GLY 37 2HA GLY 37 -4.242 9.569 4.119 289 2HA GLY 37 1HA GLY 37 -5.573 10.705 4.194 290 H CYS 38 H CYS 38 -7.682 9.844 4.693 291 HA CYS 38 HA CYS 38 -8.226 8.556 6.949 292 1HB CYS 38 2HB CYS 38 -9.698 7.958 4.401 293 2HB CYS 38 1HB CYS 38 -10.364 7.826 5.998 294 H GLY 39 H GLY 39 -7.686 6.920 4.069 295 1HA GLY 39 2HA GLY 39 -6.280 4.647 4.554 296 2HA GLY 39 1HA GLY 39 -7.859 4.156 5.143 297 H GLY 40 H GLY 40 -7.325 2.586 3.464 298 1HA GLY 40 2HA GLY 40 -9.069 2.554 1.244 299 2HA GLY 40 1HA GLY 40 -7.504 3.043 0.597 300 H ASN 41 H ASN 41 -7.258 0.973 -0.486 301 HA ASN 41 HA ASN 41 -7.179 -1.460 1.229 302 1HB ASN 41 2HB ASN 41 -7.125 -2.697 -0.924 303 2HB ASN 41 1HB ASN 41 -8.384 -1.473 -0.986 304 1HD2 ASN 41 2HD2 ASN 41 -7.012 -0.566 -4.082 305 2HD2 ASN 41 1HD2 ASN 41 -8.384 -1.053 -3.226 306 H GLU 42 H GLU 42 -5.523 -3.050 1.034 307 HA GLU 42 HA GLU 42 -2.914 -2.167 1.688 308 1HB GLU 42 2HB GLU 42 -4.051 -4.888 1.010 309 2HB GLU 42 1HB GLU 42 -2.470 -4.620 1.721 310 1HG GLU 42 2HG GLU 42 -5.019 -3.580 3.087 311 2HG GLU 42 1HG GLU 42 -4.287 -5.118 3.466 312 H ASN 43 H ASN 43 -3.590 -1.478 -1.191 313 HA ASN 43 HA ASN 43 -1.120 -2.697 -2.439 314 1HB ASN 43 2HB ASN 43 -3.276 -3.494 -3.193 315 2HB ASN 43 1HB ASN 43 -3.770 -1.896 -3.717 316 1HD2 ASN 43 2HD2 ASN 43 -2.606 -3.091 -6.834 317 2HD2 ASN 43 1HD2 ASN 43 -3.981 -2.762 -5.860 318 H LYS 44 H LYS 44 -0.569 -0.750 -1.052 319 HA LYS 44 HA LYS 44 0.168 1.429 -2.925 320 1HB LYS 44 2HB LYS 44 -0.808 2.352 -0.150 321 2HB LYS 44 1HB LYS 44 -0.893 3.244 -1.664 322 1HG LYS 44 2HG LYS 44 -2.697 1.391 -2.315 323 2HG LYS 44 1HG LYS 44 -2.705 1.070 -0.610 324 1HD LYS 44 2HD LYS 44 -3.336 3.451 -0.134 325 2HD LYS 44 1HD LYS 44 -3.339 3.819 -1.849 326 1HE LYS 44 2HE LYS 44 -5.136 1.790 -0.462 327 2HE LYS 44 1HE LYS 44 -5.617 3.369 -1.062 328 1HZ LYS 44 2HZ LYS 44 -4.357 2.161 -3.235 329 2HZ LYS 44 1HZ LYS 44 -5.367 0.969 -2.543 330 3HZ LYS 44 3HZ LYS 44 -6.002 2.440 -2.958 331 H PHE 45 H PHE 45 2.200 0.933 -3.007 332 HA PHE 45 HA PHE 45 3.858 0.914 -0.549 333 1HB PHE 45 2HB PHE 45 4.581 0.080 -3.409 334 2HB PHE 45 1HB PHE 45 5.415 -0.315 -1.917 335 HD1 PHE 45 HD2 PHE 45 4.020 -1.510 -0.113 336 HD2 PHE 45 HD1 PHE 45 2.915 -1.426 -4.224 337 HE1 PHE 45 HE2 PHE 45 2.571 -3.442 0.241 338 HE2 PHE 45 HE1 PHE 45 1.470 -3.376 -3.871 339 HZ PHE 45 HZ PHE 45 1.302 -4.391 -1.637 340 H GLY 46 H GLY 46 6.039 1.684 -0.744 341 1HA GLY 46 2HA GLY 46 6.167 4.545 -1.596 342 2HA GLY 46 1HA GLY 46 7.322 3.695 -0.563 343 H SER 47 H SER 47 7.761 1.467 -2.364 344 HA SER 47 HA SER 47 8.934 2.780 -4.767 345 1HB SER 47 2HB SER 47 10.819 2.909 -3.191 346 2HB SER 47 1HB SER 47 10.790 1.162 -2.953 347 HG SER 47 HG SER 47 11.950 2.443 -4.890 348 H GLN 48 H GLN 48 9.891 1.305 -6.265 349 HA GLN 48 HA GLN 48 8.118 -0.756 -7.146 350 1HB GLN 48 2HB GLN 48 9.924 0.270 -8.609 351 2HB GLN 48 1HB GLN 48 11.150 -0.570 -7.671 352 1HG GLN 48 2HG GLN 48 9.578 -2.770 -8.334 353 2HG GLN 48 1HG GLN 48 9.143 -1.729 -9.659 354 1HE2 GLN 48 2HE2 GLN 48 12.064 -2.611 -11.336 355 2HE2 GLN 48 1HE2 GLN 48 10.446 -2.088 -11.456 356 H LYS 49 H LYS 49 10.811 -0.818 -4.974 357 HA LYS 49 HA LYS 49 10.903 -3.649 -4.711 358 1HB LYS 49 2HB LYS 49 12.005 -1.186 -3.272 359 2HB LYS 49 1HB LYS 49 12.077 -2.671 -2.386 360 1HG LYS 49 2HG LYS 49 14.185 -2.004 -3.759 361 2HG LYS 49 1HG LYS 49 13.686 -3.666 -3.781 362 1HD LYS 49 2HD LYS 49 12.983 -1.694 -6.048 363 2HD LYS 49 1HD LYS 49 14.413 -2.695 -6.082 364 1HE LYS 49 2HE LYS 49 12.441 -4.545 -5.524 365 2HE LYS 49 1HE LYS 49 11.590 -3.443 -6.595 366 1HZ LYS 49 1HZ LYS 49 14.127 -3.918 -7.745 367 2HZ LYS 49 3HZ LYS 49 13.376 -5.411 -7.304 368 3HZ LYS 49 2HZ LYS 49 12.591 -4.369 -8.269 369 H GLU 50 H GLU 50 9.281 -1.411 -2.367 370 HA GLU 50 HA GLU 50 8.328 -3.463 -0.772 371 1HB GLU 50 2HB GLU 50 7.222 -1.004 -1.870 372 2HB GLU 50 1HB GLU 50 6.297 -1.927 -0.653 373 1HG GLU 50 2HG GLU 50 7.526 -0.798 0.925 374 2HG GLU 50 1HG GLU 50 8.962 -1.631 0.342 375 H CYS 51 H CYS 51 6.896 -2.075 -3.591 376 HA CYS 51 HA CYS 51 4.664 -3.692 -4.007 377 1HB CYS 51 2HB CYS 51 4.816 -2.082 -5.636 378 2HB CYS 51 1HB CYS 51 6.559 -2.131 -5.689 379 H GLU 52 H GLU 52 7.763 -4.257 -5.560 380 HA GLU 52 HA GLU 52 7.344 -6.777 -6.602 381 1HB GLU 52 2HB GLU 52 9.220 -5.182 -7.103 382 2HB GLU 52 1HB GLU 52 9.874 -5.465 -5.506 383 1HG GLU 52 2HG GLU 52 10.136 -8.002 -6.266 384 2HG GLU 52 1HG GLU 52 9.776 -7.409 -7.868 385 H LYS 53 H LYS 53 8.615 -6.036 -3.435 386 HA LYS 53 HA LYS 53 8.786 -8.925 -2.963 387 1HB LYS 53 2HB LYS 53 10.028 -6.515 -1.898 388 2HB LYS 53 1HB LYS 53 9.096 -7.123 -0.568 389 1HG LYS 53 2HG LYS 53 11.176 -8.272 -0.284 390 2HG LYS 53 1HG LYS 53 10.192 -9.477 -1.066 391 1HD LYS 53 2HD LYS 53 12.351 -7.742 -2.390 392 2HD LYS 53 1HD LYS 53 12.406 -9.459 -2.125 393 1HE LYS 53 2HE LYS 53 10.433 -9.646 -3.765 394 2HE LYS 53 1HE LYS 53 10.677 -7.934 -4.142 395 1HZ LYS 53 3HZ LYS 53 13.079 -9.620 -4.177 396 2HZ LYS 53 2HZ LYS 53 11.998 -10.112 -5.174 397 3HZ LYS 53 1HZ LYS 53 12.515 -8.521 -5.404 398 H VAL 54 H VAL 54 6.420 -6.591 -2.186 399 HA VAL 54 HA VAL 54 5.069 -8.248 -0.199 400 HB VAL 54 HB VAL 54 4.404 -5.724 -1.790 401 1HG1 VAL 54 2HG1 VAL 54 2.984 -6.983 0.627 402 2HG1 VAL 54 1HG1 VAL 54 2.561 -5.435 -0.058 403 3HG1 VAL 54 3HG1 VAL 54 2.324 -6.886 -1.001 404 1HG2 VAL 54 2HG2 VAL 54 6.254 -5.455 -0.090 405 2HG2 VAL 54 1HG2 VAL 54 4.842 -4.540 0.368 406 3HG2 VAL 54 3HG2 VAL 54 5.205 -6.063 1.164 407 H CYS 55 H CYS 55 4.771 -7.581 -3.636 408 HA CYS 55 HA CYS 55 2.685 -9.704 -3.923 409 1HB CYS 55 2HB CYS 55 3.419 -7.309 -5.634 410 2HB CYS 55 1HB CYS 55 2.240 -8.512 -6.119 411 H ALA 56 H ALA 56 5.893 -8.848 -5.249 412 HA ALA 56 HA ALA 56 5.839 -11.358 -6.901 413 1HB ALA 56 1HB ALA 56 6.413 -9.268 -8.068 414 2HB ALA 56 3HB ALA 56 7.780 -9.038 -6.989 415 3HB ALA 56 2HB ALA 56 7.771 -10.409 -8.044 416 HA PRO 57 HA PRO 57 8.097 -12.399 -2.941 417 1HB PRO 57 2HB PRO 57 7.528 -15.102 -2.946 418 2HB PRO 57 1HB PRO 57 6.396 -13.855 -2.418 419 1HG PRO 57 2HG PRO 57 6.677 -15.015 -5.256 420 2HG PRO 57 1HG PRO 57 5.219 -15.043 -4.251 421 1HD PRO 57 2HD PRO 57 5.444 -13.061 -5.990 422 2HD PRO 57 1HD PRO 57 5.044 -12.573 -4.336 423 H VAL 58 HN VAL 58 9.983 -11.874 -4.640 424 HA VAL 58 HA VAL 58 12.020 -13.961 -4.230 425 HB VAL 58 HB VAL 58 12.846 -13.510 -6.702 426 1HG1 VAL 58 2HG1 VAL 58 11.472 -15.545 -6.106 427 2HG1 VAL 58 1HG1 VAL 58 10.009 -14.639 -6.426 428 3HG1 VAL 58 3HG1 VAL 58 11.120 -14.998 -7.740 429 1HG2 VAL 58 3HG2 VAL 58 10.081 -12.250 -6.959 430 2HG2 VAL 58 2HG2 VAL 58 11.611 -11.396 -7.053 431 3HG2 VAL 58 1HG2 VAL 58 11.188 -12.568 -8.285 No H/Q in entry = 431 Start of MODEL 12 1 1H GLU 1 3H GLU 1 -5.306 -14.637 0.049 2 2H GLU 1 2H GLU 1 -5.193 -16.259 0.525 3 3H GLU 1 1H GLU 1 -3.859 -15.265 0.654 4 HA GLU 1 HA GLU 1 -3.185 -15.756 -1.379 5 1HB GLU 1 2HB GLU 1 -5.831 -17.347 -1.515 6 2HB GLU 1 1HB GLU 1 -4.545 -17.534 -2.688 7 1HG GLU 1 2HG GLU 1 -4.700 -19.255 -0.567 8 2HG GLU 1 1HG GLU 1 -3.118 -18.752 -1.084 9 H THR 2 H THR 2 -3.246 -14.476 -3.351 10 HA THR 2 HA THR 2 -4.011 -12.629 -4.645 11 HB THR 2 HB THR 2 -5.029 -14.540 -5.971 12 HG1 THR 2 HG1 THR 2 -6.962 -12.606 -5.402 13 1HG2 THR 2 3HG2 THR 2 -7.552 -14.101 -4.285 14 2HG2 THR 2 2HG2 THR 2 -7.390 -15.139 -5.687 15 3HG2 THR 2 1HG2 THR 2 -6.560 -15.533 -4.199 16 H ASP 3 H ASP 3 -4.087 -11.912 -2.272 17 HA ASP 3 HA ASP 3 -6.633 -10.766 -1.406 18 1HB ASP 3 2HB ASP 3 -3.862 -10.554 -0.046 19 2HB ASP 3 1HB ASP 3 -5.439 -10.619 0.716 20 H ILE 4 H ILE 4 -4.171 -8.864 -0.455 21 HA ILE 4 HA ILE 4 -5.021 -6.445 -1.542 22 HB ILE 4 HB ILE 4 -2.935 -5.490 -0.836 23 1HG1 ILE 4 2HG1 ILE 4 -1.818 -8.359 -0.633 24 2HG1 ILE 4 1HG1 ILE 4 -1.340 -7.194 -1.856 25 1HG2 ILE 4 2HG2 ILE 4 -4.491 -6.221 0.945 26 2HG2 ILE 4 1HG2 ILE 4 -3.754 -7.806 1.018 27 3HG2 ILE 4 3HG2 ILE 4 -2.864 -6.396 1.520 28 1HD1 ILE 4 3HD1 ILE 4 -0.484 -5.647 -0.124 29 2HD1 ILE 4 2HD1 ILE 4 -0.891 -6.800 1.134 30 3HD1 ILE 4 1HD1 ILE 4 0.317 -7.205 -0.067 31 H CYS 5 H CYS 5 -2.737 -8.593 -2.782 32 HA CYS 5 HA CYS 5 -1.784 -7.203 -5.105 33 1HB CYS 5 2HB CYS 5 -1.880 -10.139 -4.472 34 2HB CYS 5 1HB CYS 5 -0.741 -9.369 -5.564 35 H LYS 6 H LYS 6 -4.798 -8.288 -4.602 36 HA LYS 6 HA LYS 6 -5.364 -8.890 -7.456 37 1HB LYS 6 2HB LYS 6 -5.906 -10.796 -6.190 38 2HB LYS 6 1HB LYS 6 -6.161 -9.917 -4.758 39 1HG LYS 6 2HG LYS 6 -8.234 -10.455 -4.963 40 2HG LYS 6 1HG LYS 6 -8.320 -8.971 -5.826 41 1HD LYS 6 2HD LYS 6 -8.512 -11.816 -6.896 42 2HD LYS 6 1HD LYS 6 -9.536 -10.451 -7.233 43 1HE LYS 6 2HE LYS 6 -8.414 -10.721 -9.253 44 2HE LYS 6 1HE LYS 6 -7.510 -9.428 -8.472 45 1HZ LYS 6 3HZ LYS 6 -6.540 -11.917 -7.505 46 2HZ LYS 6 2HZ LYS 6 -6.541 -12.027 -9.176 47 3HZ LYS 6 1HZ LYS 6 -5.686 -10.782 -8.394 48 H LEU 7 H LEU 7 -5.424 -6.420 -5.344 49 HA LEU 7 HA LEU 7 -7.985 -5.339 -5.946 50 1HB LEU 7 2HB LEU 7 -5.551 -4.218 -4.518 51 2HB LEU 7 1HB LEU 7 -7.081 -3.395 -4.521 52 HG LEU 7 HG LEU 7 -6.548 -6.161 -3.293 53 1HD1 LEU 7 3HD1 LEU 7 -7.108 -3.422 -2.080 54 2HD1 LEU 7 2HD1 LEU 7 -6.878 -4.902 -1.165 55 3HD1 LEU 7 1HD1 LEU 7 -5.549 -4.219 -2.081 56 1HD2 LEU 7 2HD2 LEU 7 -9.021 -4.356 -3.206 57 2HD2 LEU 7 1HD2 LEU 7 -8.922 -5.857 -4.115 58 3HD2 LEU 7 3HD2 LEU 7 -8.833 -5.889 -2.369 59 HA PRO 8 HA PRO 8 -6.363 -1.926 -8.650 60 1HB PRO 8 2HB PRO 8 -8.329 -0.137 -8.350 61 2HB PRO 8 1HB PRO 8 -8.700 -1.680 -9.131 62 1HG PRO 8 2HG PRO 8 -9.011 -1.004 -6.143 63 2HG PRO 8 1HG PRO 8 -10.286 -1.513 -7.253 64 1HD PRO 8 2HD PRO 8 -8.944 -3.343 -5.726 65 2HD PRO 8 1HD PRO 8 -9.437 -3.768 -7.381 66 H LYS 9 H LYS 9 -6.533 0.450 -8.027 67 HA LYS 9 HA LYS 9 -4.530 0.875 -5.872 68 1HB LYS 9 2HB LYS 9 -5.824 2.789 -7.848 69 2HB LYS 9 1HB LYS 9 -4.427 3.187 -6.857 70 1HG LYS 9 2HG LYS 9 -3.159 1.352 -7.904 71 2HG LYS 9 1HG LYS 9 -4.473 0.957 -8.977 72 1HD LYS 9 2HD LYS 9 -2.765 3.494 -8.938 73 2HD LYS 9 1HD LYS 9 -2.824 2.305 -10.202 74 1HE LYS 9 2HE LYS 9 -3.987 4.090 -11.092 75 2HE LYS 9 1HE LYS 9 -5.212 2.910 -10.621 76 1HZ LYS 9 3HZ LYS 9 -4.675 4.518 -8.324 77 2HZ LYS 9 2HZ LYS 9 -5.004 5.573 -9.562 78 3HZ LYS 9 1HZ LYS 9 -6.050 4.452 -9.148 79 H ASP 10 H ASP 10 -4.884 2.952 -4.501 80 HA ASP 10 HA ASP 10 -7.682 2.972 -3.404 81 1HB ASP 10 2HB ASP 10 -5.666 1.840 -2.074 82 2HB ASP 10 1HB ASP 10 -5.100 3.482 -1.906 83 H GLU 11 H GLU 11 -7.306 4.706 -5.351 84 HA GLU 11 HA GLU 11 -6.263 7.142 -5.241 85 1HB GLU 11 2HB GLU 11 -9.337 6.991 -5.562 86 2HB GLU 11 1HB GLU 11 -8.231 8.001 -6.464 87 1HG GLU 11 2HG GLU 11 -8.610 4.985 -6.797 88 2HG GLU 11 1HG GLU 11 -8.935 6.242 -7.963 89 H GLY 12 H GLY 12 -8.815 6.484 -2.996 90 1HA GLY 12 2HA GLY 12 -8.255 7.839 -0.837 91 2HA GLY 12 1HA GLY 12 -8.397 9.236 -1.857 92 H THR 13 H THR 13 -9.372 9.386 0.256 93 HA THR 13 HA THR 13 -12.364 9.266 0.198 94 HB THR 13 HB THR 13 -12.191 9.374 2.785 95 HG1 THR 13 HG1 THR 13 -10.201 10.112 3.242 96 1HG2 THR 13 3HG2 THR 13 -12.039 7.026 1.643 97 2HG2 THR 13 2HG2 THR 13 -10.301 7.244 1.669 98 3HG2 THR 13 1HG2 THR 13 -11.192 7.174 3.178 99 H CYS 14 H CYS 14 -9.541 10.899 1.189 100 HA CYS 14 HA CYS 14 -10.760 13.584 1.476 101 1HB CYS 14 2HB CYS 14 -8.076 12.458 2.358 102 2HB CYS 14 1HB CYS 14 -8.775 13.952 2.885 103 H ARG 15 H ARG 15 -8.430 15.172 0.960 104 HA ARG 15 HA ARG 15 -7.788 14.483 -1.916 105 1HB ARG 15 2HB ARG 15 -8.722 17.194 -0.853 106 2HB ARG 15 1HB ARG 15 -8.029 16.986 -2.437 107 1HG ARG 15 2HG ARG 15 -10.283 16.766 -3.022 108 2HG ARG 15 1HG ARG 15 -9.888 15.091 -2.719 109 1HD ARG 15 2HD ARG 15 -10.650 15.610 -0.231 110 2HD ARG 15 1HD ARG 15 -11.383 17.035 -0.943 111 HE ARG 15 HE ARG 15 -12.705 15.485 -2.490 112 1HH1 ARG 15 1HH2 ARG 15 -10.877 13.265 -2.039 113 2HH1 ARG 15 2HH2 ARG 15 -11.882 12.203 -1.130 114 1HH2 ARG 15 2HH1 ARG 15 -14.035 14.725 -0.329 115 2HH2 ARG 15 1HH1 ARG 15 -13.596 13.053 -0.073 116 H ASP 16 H ASP 16 -6.153 14.328 0.495 117 HA ASP 16 HA ASP 16 -3.949 16.190 0.008 118 1HB ASP 16 2HB ASP 16 -4.421 14.062 2.175 119 2HB ASP 16 1HB ASP 16 -3.496 15.544 2.351 120 H PHE 17 H PHE 17 -4.760 13.880 -1.504 121 HA PHE 17 HA PHE 17 -3.944 11.742 -2.276 122 1HB PHE 17 2HB PHE 17 -3.033 14.159 -3.742 123 2HB PHE 17 1HB PHE 17 -2.900 12.548 -4.432 124 HD1 PHE 17 HD2 PHE 17 -4.939 11.103 -4.626 125 HD2 PHE 17 HD1 PHE 17 -5.186 15.230 -3.604 126 HE1 PHE 17 HE2 PHE 17 -7.315 11.097 -5.212 127 HE2 PHE 17 HE1 PHE 17 -7.566 15.229 -4.196 128 HZ PHE 17 HZ PHE 17 -8.638 13.165 -5.003 129 H ILE 18 H ILE 18 -1.028 13.297 -1.550 130 HA ILE 18 HA ILE 18 1.279 12.513 -1.969 131 HB ILE 18 HB ILE 18 1.840 10.846 -0.241 132 1HG1 ILE 18 2HG1 ILE 18 -0.343 9.960 1.108 133 2HG1 ILE 18 1HG1 ILE 18 -0.995 9.974 -0.510 134 1HG2 ILE 18 2HG2 ILE 18 -0.362 12.636 0.801 135 2HG2 ILE 18 1HG2 ILE 18 0.816 11.788 1.769 136 3HG2 ILE 18 3HG2 ILE 18 1.344 13.042 0.674 137 1HD1 ILE 18 3HD1 ILE 18 1.669 8.661 0.213 138 2HD1 ILE 18 2HD1 ILE 18 0.152 7.803 0.035 139 3HD1 ILE 18 1HD1 ILE 18 0.874 8.588 -1.351 140 H LEU 19 H LEU 19 2.794 11.164 -3.005 141 HA LEU 19 HA LEU 19 1.569 9.173 -4.823 142 1HB LEU 19 2HB LEU 19 2.827 10.168 -6.347 143 2HB LEU 19 1HB LEU 19 3.417 11.276 -5.167 144 HG LEU 19 HG LEU 19 4.810 8.565 -5.397 145 1HD1 LEU 19 3HD1 LEU 19 5.508 10.994 -7.160 146 2HD1 LEU 19 2HD1 LEU 19 6.431 9.515 -7.074 147 3HD1 LEU 19 1HD1 LEU 19 4.824 9.499 -7.773 148 1HD2 LEU 19 1HD2 LEU 19 5.941 11.330 -4.803 149 2HD2 LEU 19 3HD2 LEU 19 5.578 10.087 -3.604 150 3HD2 LEU 19 2HD2 LEU 19 6.835 9.831 -4.787 151 H LYS 20 H LYS 20 1.999 7.137 -4.981 152 HA LYS 20 HA LYS 20 4.253 5.859 -3.524 153 1HB LYS 20 2HB LYS 20 1.306 5.252 -3.011 154 2HB LYS 20 1HB LYS 20 2.530 4.059 -2.648 155 1HG LYS 20 2HG LYS 20 3.600 6.266 -1.362 156 2HG LYS 20 1HG LYS 20 1.883 6.627 -1.265 157 1HD LYS 20 2HD LYS 20 1.400 4.425 -0.256 158 2HD LYS 20 1HD LYS 20 3.055 3.907 -0.517 159 1HE LYS 20 2HE LYS 20 3.836 5.492 1.162 160 2HE LYS 20 1HE LYS 20 2.190 6.080 1.422 161 1HZ LYS 20 1HZ LYS 20 2.226 3.208 1.425 162 2HZ LYS 20 3HZ LYS 20 3.362 3.736 2.538 163 3HZ LYS 20 2HZ LYS 20 1.755 4.221 2.702 164 H TRP 21 H TRP 21 4.058 3.280 -3.884 165 HA TRP 21 HA TRP 21 3.644 2.852 -6.820 166 1HB TRP 21 2HB TRP 21 5.496 1.362 -4.863 167 2HB TRP 21 1HB TRP 21 5.243 0.874 -6.527 168 HD1 TRP 21 HD1 TRP 21 6.772 3.792 -4.459 169 HE1 TRP 21 HE1 TRP 21 8.427 4.919 -6.039 170 HE3 TRP 21 HE3 TRP 21 5.940 1.159 -8.661 171 HZ2 TRP 21 HZ2 TRP 21 9.416 4.690 -8.704 172 HZ3 TRP 21 HZ3 TRP 21 7.228 1.572 -10.725 173 HH2 TRP 21 HH2 TRP 21 8.980 3.336 -10.770 174 H TYR 22 H TYR 22 2.291 1.136 -7.425 175 HA TYR 22 HA TYR 22 1.182 -0.611 -5.242 176 1HB TYR 22 2HB TYR 22 -1.040 -0.113 -5.781 177 2HB TYR 22 1HB TYR 22 -0.301 1.429 -6.128 178 HD1 TYR 22 HD1 TYR 22 0.441 1.871 -8.616 179 HD2 TYR 22 HD2 TYR 22 -2.170 -1.272 -7.459 180 HE1 TYR 22 HE1 TYR 22 -0.446 1.663 -10.946 181 HE2 TYR 22 HE2 TYR 22 -3.013 -1.445 -9.775 182 HH TYR 22 HH TYR 22 -1.977 -0.634 -12.246 183 H TYR 23 H TYR 23 0.197 -2.485 -6.009 184 HA TYR 23 HA TYR 23 1.652 -3.755 -8.210 185 1HB TYR 23 2HB TYR 23 1.337 -4.771 -5.919 186 2HB TYR 23 1HB TYR 23 -0.386 -4.810 -6.231 187 HD1 TYR 23 HD1 TYR 23 2.807 -5.977 -7.789 188 HD2 TYR 23 HD2 TYR 23 -1.347 -6.635 -7.221 189 HE1 TYR 23 HE1 TYR 23 2.971 -8.145 -8.962 190 HE2 TYR 23 HE2 TYR 23 -1.164 -8.791 -8.386 191 HH TYR 23 HH TYR 23 1.487 -10.329 -8.667 192 H ASP 24 H ASP 24 0.854 -4.021 -10.085 193 HA ASP 24 HA ASP 24 -1.962 -3.397 -10.728 194 1HB ASP 24 2HB ASP 24 -0.228 -2.070 -11.667 195 2HB ASP 24 1HB ASP 24 0.549 -3.485 -12.390 196 HA PRO 25 HA PRO 25 -1.910 -8.045 -11.082 197 1HB PRO 25 2HB PRO 25 -4.704 -8.299 -11.040 198 2HB PRO 25 1HB PRO 25 -3.702 -8.180 -9.582 199 1HG PRO 25 2HG PRO 25 -5.037 -5.827 -11.072 200 2HG PRO 25 1HG PRO 25 -5.231 -6.260 -9.370 201 1HD PRO 25 2HD PRO 25 -3.447 -4.424 -9.963 202 2HD PRO 25 1HD PRO 25 -2.909 -5.713 -8.871 203 H ASN 26 H ASN 26 -2.558 -5.665 -13.332 204 HA ASN 26 HA ASN 26 -3.587 -7.533 -15.444 205 1HB ASN 26 2HB ASN 26 -3.070 -4.485 -15.471 206 2HB ASN 26 1HB ASN 26 -3.694 -5.386 -16.826 207 1HD2 ASN 26 2HD2 ASN 26 -6.379 -5.570 -13.912 208 2HD2 ASN 26 1HD2 ASN 26 -4.873 -6.343 -13.671 209 H THR 27 H THR 27 -0.821 -5.666 -14.579 210 HA THR 27 HA THR 27 0.879 -6.645 -16.845 211 HB THR 27 HB THR 27 2.628 -5.081 -15.802 212 HG1 THR 27 HG1 THR 27 0.606 -4.224 -14.055 213 1HG2 THR 27 1HG2 THR 27 -0.125 -3.714 -15.809 214 2HG2 THR 27 3HG2 THR 27 1.434 -2.936 -15.938 215 3HG2 THR 27 2HG2 THR 27 0.837 -3.938 -17.251 216 H LYS 28 H LYS 28 0.722 -6.592 -13.407 217 HA LYS 28 HA LYS 28 1.011 -8.090 -11.815 218 1HB LYS 28 2HB LYS 28 1.621 -9.829 -14.126 219 2HB LYS 28 1HB LYS 28 3.013 -9.940 -13.120 220 1HG LYS 28 2HG LYS 28 1.981 -11.073 -11.483 221 2HG LYS 28 1HG LYS 28 0.542 -10.131 -11.499 222 1HD LYS 28 2HD LYS 28 1.220 -12.513 -13.369 223 2HD LYS 28 1HD LYS 28 -0.168 -12.391 -12.336 224 1HE LYS 28 2HE LYS 28 0.272 -11.310 -15.088 225 2HE LYS 28 1HE LYS 28 -1.195 -11.931 -14.347 226 1HZ LYS 28 3HZ LYS 28 -0.424 -9.586 -12.975 227 2HZ LYS 28 2HZ LYS 28 -0.400 -9.206 -14.598 228 3HZ LYS 28 1HZ LYS 28 -1.831 -9.767 -13.894 229 H SER 29 H SER 29 2.605 -5.937 -12.348 230 HA SER 29 HA SER 29 4.778 -6.561 -10.449 231 1HB SER 29 2HB SER 29 5.760 -6.403 -12.813 232 2HB SER 29 1HB SER 29 5.177 -4.726 -12.922 233 HG SER 29 HG SER 29 6.979 -4.241 -11.593 234 H CYS 30 H CYS 30 5.535 -3.627 -10.603 235 HA CYS 30 HA CYS 30 2.999 -2.408 -9.623 236 1HB CYS 30 2HB CYS 30 5.685 -2.321 -8.290 237 2HB CYS 30 1HB CYS 30 4.219 -1.594 -7.704 238 H ALA 31 H ALA 31 2.704 -0.252 -9.731 239 HA ALA 31 HA ALA 31 4.623 1.413 -11.289 240 1HB ALA 31 2HB ALA 31 1.606 1.074 -11.789 241 2HB ALA 31 1HB ALA 31 2.629 2.192 -12.679 242 3HB ALA 31 3HB ALA 31 2.876 0.460 -12.818 243 H ARG 32 H ARG 32 3.542 3.735 -11.202 244 HA ARG 32 HA ARG 32 3.115 4.320 -8.350 245 1HB ARG 32 2HB ARG 32 4.570 5.600 -10.526 246 2HB ARG 32 1HB ARG 32 3.780 6.751 -9.441 247 1HG ARG 32 2HG ARG 32 4.911 5.619 -7.479 248 2HG ARG 32 1HG ARG 32 5.611 4.451 -8.563 249 1HD ARG 32 2HD ARG 32 6.240 7.444 -8.529 250 2HD ARG 32 1HD ARG 32 7.266 6.152 -7.934 251 HE ARG 32 HE ARG 32 7.168 5.172 -10.333 252 1HH1 ARG 32 2HH1 ARG 32 5.338 7.269 -11.063 253 2HH1 ARG 32 1HH1 ARG 32 6.277 8.293 -12.109 254 1HH2 ARG 32 1HH2 ARG 32 9.099 6.761 -10.760 255 2HH2 ARG 32 2HH2 ARG 32 8.627 7.968 -11.906 256 H PHE 33 H PHE 33 1.684 5.692 -7.497 257 HA PHE 33 HA PHE 33 -0.167 7.201 -9.229 258 1HB PHE 33 2HB PHE 33 -2.071 5.836 -8.991 259 2HB PHE 33 1HB PHE 33 -0.824 4.620 -8.967 260 HD1 PHE 33 HD2 PHE 33 -0.124 3.597 -6.776 261 HD2 PHE 33 HD1 PHE 33 -3.490 6.190 -7.074 262 HE1 PHE 33 HE2 PHE 33 -0.993 2.747 -4.629 263 HE2 PHE 33 HE1 PHE 33 -4.344 5.358 -4.985 264 HZ PHE 33 HZ PHE 33 -3.089 3.618 -3.722 265 H TRP 34 H TRP 34 -1.999 8.113 -7.870 266 HA TRP 34 HA TRP 34 -0.829 9.345 -5.426 267 1HB TRP 34 2HB TRP 34 -2.921 10.297 -7.516 268 2HB TRP 34 1HB TRP 34 -2.643 11.229 -6.137 269 HD1 TRP 34 HD1 TRP 34 -1.673 10.684 -9.304 270 HE1 TRP 34 HE1 TRP 34 0.453 12.114 -9.890 271 HE3 TRP 34 HE3 TRP 34 -0.290 12.002 -4.741 272 HZ2 TRP 34 HZ2 TRP 34 2.415 13.618 -8.557 273 HZ3 TRP 34 HZ3 TRP 34 1.671 13.484 -4.345 274 HH2 TRP 34 HH2 TRP 34 3.032 14.277 -6.247 275 H TYR 35 H TYR 35 -1.989 9.080 -3.464 276 HA TYR 35 HA TYR 35 -4.781 8.031 -3.595 277 1HB TYR 35 2HB TYR 35 -4.023 5.954 -3.039 278 2HB TYR 35 1HB TYR 35 -2.376 6.550 -3.011 279 HD1 TYR 35 HD1 TYR 35 -5.419 6.092 -0.891 280 HD2 TYR 35 HD2 TYR 35 -1.302 6.928 -1.102 281 HE1 TYR 35 HE1 TYR 35 -5.289 5.870 1.537 282 HE2 TYR 35 HE2 TYR 35 -1.152 6.717 1.419 283 HH TYR 35 HH TYR 35 -4.011 6.608 3.243 284 H GLY 36 H GLY 36 -5.799 9.797 -2.763 285 1HA GLY 36 2HA GLY 36 -4.906 11.059 -0.172 286 2HA GLY 36 1HA GLY 36 -6.251 11.631 -1.179 287 H GLY 37 H GLY 37 -5.345 8.630 0.336 288 1HA GLY 37 2HA GLY 37 -8.169 8.258 1.346 289 2HA GLY 37 1HA GLY 37 -7.066 6.953 1.048 290 H CYS 38 H CYS 38 -8.498 8.865 3.226 291 HA CYS 38 HA CYS 38 -6.620 8.728 5.467 292 1HB CYS 38 2HB CYS 38 -9.567 9.484 5.274 293 2HB CYS 38 1HB CYS 38 -8.585 9.712 6.675 294 H GLY 39 H GLY 39 -6.727 6.315 4.658 295 1HA GLY 39 2HA GLY 39 -6.832 4.283 6.214 296 2HA GLY 39 1HA GLY 39 -8.487 4.736 6.548 297 H GLY 40 H GLY 40 -6.707 4.222 3.533 298 1HA GLY 40 2HA GLY 40 -8.847 2.271 2.678 299 2HA GLY 40 1HA GLY 40 -8.025 3.313 1.545 300 H ASN 41 H ASN 41 -8.221 0.548 1.436 301 HA ASN 41 HA ASN 41 -6.742 -1.451 2.112 302 1HB ASN 41 2HB ASN 41 -6.741 -2.286 -0.105 303 2HB ASN 41 1HB ASN 41 -8.028 -1.101 -0.075 304 1HD2 ASN 41 2HD2 ASN 41 -6.681 0.482 -2.833 305 2HD2 ASN 41 1HD2 ASN 41 -8.057 0.104 -1.929 306 H GLU 42 H GLU 42 -4.980 -2.689 1.292 307 HA GLU 42 HA GLU 42 -2.424 -1.495 2.058 308 1HB GLU 42 2HB GLU 42 -3.061 -4.342 1.354 309 2HB GLU 42 1HB GLU 42 -1.741 -3.791 2.358 310 1HG GLU 42 2HG GLU 42 -3.506 -4.645 3.890 311 2HG GLU 42 1HG GLU 42 -3.567 -2.908 4.033 312 H ASN 43 H ASN 43 -3.425 -1.051 -0.855 313 HA ASN 43 HA ASN 43 -0.995 -2.163 -2.241 314 1HB ASN 43 2HB ASN 43 -3.348 -2.761 -2.843 315 2HB ASN 43 1HB ASN 43 -3.627 -1.125 -3.413 316 1HD2 ASN 43 2HD2 ASN 43 -2.642 -2.791 -6.442 317 2HD2 ASN 43 1HD2 ASN 43 -4.022 -2.356 -5.535 318 H LYS 44 H LYS 44 -0.199 -0.377 -0.903 319 HA LYS 44 HA LYS 44 0.583 1.872 -2.678 320 1HB LYS 44 2HB LYS 44 -0.146 3.664 -1.159 321 2HB LYS 44 1HB LYS 44 -1.449 2.596 -1.541 322 1HG LYS 44 2HG LYS 44 -0.181 1.462 0.816 323 2HG LYS 44 1HG LYS 44 -0.416 3.171 1.139 324 1HD LYS 44 2HD LYS 44 -2.548 1.351 -0.028 325 2HD LYS 44 1HD LYS 44 -2.352 1.594 1.694 326 1HE LYS 44 2HE LYS 44 -2.779 3.941 1.486 327 2HE LYS 44 1HE LYS 44 -2.854 3.866 -0.281 328 1HZ LYS 44 3HZ LYS 44 -4.531 1.872 0.906 329 2HZ LYS 44 2HZ LYS 44 -4.967 3.325 1.501 330 3HZ LYS 44 1HZ LYS 44 -4.964 3.140 -0.125 331 H PHE 45 H PHE 45 2.667 1.101 -2.652 332 HA PHE 45 HA PHE 45 4.314 0.986 -0.175 333 1HB PHE 45 2HB PHE 45 4.833 0.004 -3.023 334 2HB PHE 45 1HB PHE 45 5.816 -0.346 -1.632 335 HD1 PHE 45 HD2 PHE 45 4.867 -1.845 0.202 336 HD2 PHE 45 HD1 PHE 45 2.733 -1.087 -3.406 337 HE1 PHE 45 HE2 PHE 45 3.404 -3.753 0.655 338 HE2 PHE 45 HE1 PHE 45 1.283 -3.000 -2.944 339 HZ PHE 45 HZ PHE 45 1.576 -4.310 -0.932 340 H GLY 46 H GLY 46 6.595 1.546 -0.431 341 1HA GLY 46 2HA GLY 46 6.876 4.417 -1.154 342 2HA GLY 46 1HA GLY 46 8.076 3.452 -0.304 343 H SER 47 H SER 47 8.177 1.405 -2.344 344 HA SER 47 HA SER 47 9.217 2.846 -4.734 345 1HB SER 47 2HB SER 47 10.880 0.687 -3.482 346 2HB SER 47 1HB SER 47 11.382 1.838 -4.708 347 HG SER 47 HG SER 47 10.518 3.286 -2.687 348 H GLN 48 H GLN 48 9.342 1.433 -6.643 349 HA GLN 48 HA GLN 48 7.283 -0.447 -6.879 350 1HB GLN 48 2HB GLN 48 8.899 0.458 -8.767 351 2HB GLN 48 1HB GLN 48 9.979 -0.864 -8.332 352 1HG GLN 48 2HG GLN 48 8.096 -2.539 -8.706 353 2HG GLN 48 1HG GLN 48 7.039 -1.200 -9.099 354 1HE2 GLN 48 2HE2 GLN 48 9.209 -1.084 -12.212 355 2HE2 GLN 48 1HE2 GLN 48 9.499 -0.147 -10.815 356 H LYS 49 H LYS 49 10.542 -1.052 -5.844 357 HA LYS 49 HA LYS 49 10.533 -3.820 -5.559 358 1HB LYS 49 2HB LYS 49 12.529 -3.447 -4.176 359 2HB LYS 49 1HB LYS 49 12.485 -2.012 -5.155 360 1HG LYS 49 2HG LYS 49 11.019 -1.141 -2.956 361 2HG LYS 49 1HG LYS 49 11.910 -2.404 -2.186 362 1HD LYS 49 2HD LYS 49 14.082 -1.445 -3.057 363 2HD LYS 49 1HD LYS 49 13.219 -0.089 -3.721 364 1HE LYS 49 2HE LYS 49 13.523 -0.777 -0.785 365 2HE LYS 49 1HE LYS 49 14.267 0.582 -1.630 366 1HZ LYS 49 1HZ LYS 49 11.379 0.428 -1.875 367 2HZ LYS 49 3HZ LYS 49 11.772 0.523 -0.374 368 3HZ LYS 49 2HZ LYS 49 12.222 1.786 -1.453 369 H GLU 50 H GLU 50 9.281 -1.604 -3.062 370 HA GLU 50 HA GLU 50 8.800 -3.536 -1.121 371 1HB GLU 50 2HB GLU 50 7.651 -1.022 -1.917 372 2HB GLU 50 1HB GLU 50 6.682 -2.041 -0.811 373 1HG GLU 50 2HG GLU 50 7.983 -0.693 0.660 374 2HG GLU 50 1HG GLU 50 8.826 -2.216 0.582 375 H CYS 51 H CYS 51 6.597 -2.263 -3.381 376 HA CYS 51 HA CYS 51 4.430 -4.049 -3.177 377 1HB CYS 51 2HB CYS 51 4.573 -1.860 -4.382 378 2HB CYS 51 1HB CYS 51 5.539 -2.625 -5.612 379 H GLU 52 H GLU 52 7.222 -4.300 -5.429 380 HA GLU 52 HA GLU 52 6.485 -6.870 -6.491 381 1HB GLU 52 2HB GLU 52 8.114 -5.249 -7.504 382 2HB GLU 52 1HB GLU 52 9.127 -5.323 -6.094 383 1HG GLU 52 2HG GLU 52 8.821 -8.038 -7.216 384 2HG GLU 52 1HG GLU 52 9.277 -6.938 -8.477 385 H LYS 53 H LYS 53 8.598 -6.168 -3.725 386 HA LYS 53 HA LYS 53 8.841 -9.011 -3.270 387 1HB LYS 53 2HB LYS 53 10.208 -6.646 -2.353 388 2HB LYS 53 1HB LYS 53 9.367 -7.175 -0.929 389 1HG LYS 53 2HG LYS 53 11.369 -8.410 -0.697 390 2HG LYS 53 1HG LYS 53 10.321 -9.580 -1.447 391 1HD LYS 53 2HD LYS 53 12.801 -8.301 -2.549 392 2HD LYS 53 1HD LYS 53 12.111 -9.868 -2.910 393 1HE LYS 53 2HE LYS 53 10.373 -8.613 -4.335 394 2HE LYS 53 1HE LYS 53 11.348 -7.199 -4.082 395 1HZ LYS 53 2HZ LYS 53 13.061 -9.342 -4.984 396 2HZ LYS 53 1HZ LYS 53 11.684 -9.255 -5.941 397 3HZ LYS 53 3HZ LYS 53 12.523 -7.899 -5.827 398 H VAL 54 H VAL 54 6.336 -6.939 -2.573 399 HA VAL 54 HA VAL 54 5.307 -8.596 -0.343 400 HB VAL 54 HB VAL 54 4.505 -5.941 -1.690 401 1HG1 VAL 54 1HG1 VAL 54 3.300 -7.343 0.757 402 2HG1 VAL 54 3HG1 VAL 54 2.850 -5.751 0.186 403 3HG1 VAL 54 2HG1 VAL 54 2.492 -7.155 -0.794 404 1HG2 VAL 54 3HG2 VAL 54 6.528 -5.912 -0.136 405 2HG2 VAL 54 2HG2 VAL 54 5.212 -4.960 0.492 406 3HG2 VAL 54 1HG2 VAL 54 5.543 -6.553 1.149 407 H CYS 55 H CYS 55 4.558 -7.812 -3.684 408 HA CYS 55 HA CYS 55 2.505 -9.979 -3.814 409 1HB CYS 55 2HB CYS 55 2.762 -7.390 -5.318 410 2HB CYS 55 1HB CYS 55 1.610 -8.622 -5.758 411 H ALA 56 H ALA 56 5.610 -9.382 -5.308 412 HA ALA 56 HA ALA 56 4.887 -11.056 -7.662 413 1HB ALA 56 3HB ALA 56 6.152 -8.947 -7.983 414 2HB ALA 56 2HB ALA 56 7.384 -9.526 -6.900 415 3HB ALA 56 1HB ALA 56 7.185 -10.300 -8.440 416 HA PRO 57 HA PRO 57 7.474 -14.689 -6.630 417 1HB PRO 57 2HB PRO 57 8.321 -15.381 -9.110 418 2HB PRO 57 1HB PRO 57 6.624 -15.607 -8.651 419 1HG PRO 57 2HG PRO 57 7.876 -13.158 -10.041 420 2HG PRO 57 1HG PRO 57 6.553 -14.146 -10.676 421 1HD PRO 57 2HD PRO 57 5.978 -11.908 -9.331 422 2HD PRO 57 1HD PRO 57 5.027 -13.360 -8.936 423 H VAL 58 HN VAL 58 8.974 -13.471 -5.402 424 HA VAL 58 HA VAL 58 11.312 -12.378 -6.831 425 HB VAL 58 HB VAL 58 11.396 -10.767 -4.783 426 1HG1 VAL 58 1HG1 VAL 58 10.120 -10.225 -7.011 427 2HG1 VAL 58 3HG1 VAL 58 8.726 -10.974 -6.290 428 3HG1 VAL 58 2HG1 VAL 58 9.296 -9.470 -5.655 429 1HG2 VAL 58 3HG2 VAL 58 10.230 -12.342 -3.306 430 2HG2 VAL 58 2HG2 VAL 58 9.449 -10.787 -3.251 431 3HG2 VAL 58 1HG2 VAL 58 8.726 -12.085 -4.161 No H/Q in entry = 431 Start of MODEL 13 1 1H GLU 1 2H GLU 1 -2.838 -14.089 -0.295 2 2H GLU 1 1H GLU 1 -3.311 -15.498 0.512 3 3H GLU 1 3H GLU 1 -1.846 -15.460 -0.244 4 HA GLU 1 HA GLU 1 -2.706 -16.223 -2.122 5 1HB GLU 1 2HB GLU 1 -5.205 -16.274 -0.367 6 2HB GLU 1 1HB GLU 1 -5.128 -17.062 -1.927 7 1HG GLU 1 2HG GLU 1 -4.424 -18.490 0.271 8 2HG GLU 1 1HG GLU 1 -3.454 -18.687 -1.171 9 H THR 2 H THR 2 -2.287 -14.124 -3.226 10 HA THR 2 HA THR 2 -2.914 -12.286 -4.629 11 HB THR 2 HB THR 2 -4.522 -12.806 -6.402 12 HG1 THR 2 HG1 THR 2 -5.836 -14.011 -4.288 13 1HG2 THR 2 1HG2 THR 2 -2.799 -14.671 -6.261 14 2HG2 THR 2 3HG2 THR 2 -3.930 -15.543 -5.224 15 3HG2 THR 2 2HG2 THR 2 -4.368 -15.173 -6.876 16 H ASP 3 H ASP 3 -3.370 -11.699 -2.337 17 HA ASP 3 HA ASP 3 -6.072 -10.645 -1.757 18 1HB ASP 3 2HB ASP 3 -4.647 -10.062 0.421 19 2HB ASP 3 1HB ASP 3 -4.988 -11.748 0.080 20 H ILE 4 H ILE 4 -3.500 -8.719 -0.801 21 HA ILE 4 HA ILE 4 -4.656 -6.330 -1.685 22 HB ILE 4 HB ILE 4 -2.708 -5.118 -1.127 23 1HG1 ILE 4 2HG1 ILE 4 -1.159 -6.118 -2.900 24 2HG1 ILE 4 1HG1 ILE 4 -0.438 -5.668 -1.382 25 1HG2 ILE 4 2HG2 ILE 4 -3.364 -6.492 0.804 26 2HG2 ILE 4 1HG2 ILE 4 -2.256 -7.749 0.333 27 3HG2 ILE 4 3HG2 ILE 4 -1.633 -6.185 0.810 28 1HD1 ILE 4 2HD1 ILE 4 -1.228 -8.538 -2.052 29 2HD1 ILE 4 1HD1 ILE 4 0.392 -7.878 -2.171 30 3HD1 ILE 4 3HD1 ILE 4 -0.396 -8.000 -0.617 31 H CYS 5 H CYS 5 -2.603 -8.399 -3.362 32 HA CYS 5 HA CYS 5 -1.864 -7.107 -5.741 33 1HB CYS 5 2HB CYS 5 -2.664 -9.957 -5.259 34 2HB CYS 5 1HB CYS 5 -1.754 -9.428 -6.657 35 H LYS 6 H LYS 6 -4.948 -8.059 -4.788 36 HA LYS 6 HA LYS 6 -6.160 -7.826 -7.471 37 1HB LYS 6 2HB LYS 6 -6.647 -9.920 -6.750 38 2HB LYS 6 1HB LYS 6 -6.237 -9.586 -5.093 39 1HG LYS 6 2HG LYS 6 -8.380 -8.417 -4.817 40 2HG LYS 6 1HG LYS 6 -8.908 -9.033 -6.372 41 1HD LYS 6 2HD LYS 6 -7.977 -10.553 -3.827 42 2HD LYS 6 1HD LYS 6 -9.603 -10.614 -4.433 43 1HE LYS 6 2HE LYS 6 -7.153 -11.828 -5.827 44 2HE LYS 6 1HE LYS 6 -8.285 -12.727 -4.840 45 1HZ LYS 6 3HZ LYS 6 -9.701 -11.094 -6.656 46 2HZ LYS 6 2HZ LYS 6 -8.522 -11.946 -7.534 47 3HZ LYS 6 1HZ LYS 6 -9.662 -12.806 -6.614 48 H LEU 7 H LEU 7 -5.565 -5.682 -5.207 49 HA LEU 7 HA LEU 7 -8.196 -4.474 -5.173 50 1HB LEU 7 2HB LEU 7 -5.761 -3.803 -3.493 51 2HB LEU 7 1HB LEU 7 -7.361 -3.172 -3.209 52 HG LEU 7 HG LEU 7 -6.517 -6.089 -2.985 53 1HD1 LEU 7 3HD1 LEU 7 -5.743 -4.524 -1.141 54 2HD1 LEU 7 2HD1 LEU 7 -7.379 -3.987 -0.913 55 3HD1 LEU 7 1HD1 LEU 7 -6.951 -5.633 -0.534 56 1HD2 LEU 7 2HD2 LEU 7 -9.188 -4.734 -2.357 57 2HD2 LEU 7 1HD2 LEU 7 -8.918 -5.852 -3.690 58 3HD2 LEU 7 3HD2 LEU 7 -8.796 -6.411 -2.034 59 HA PRO 8 HA PRO 8 -6.435 -1.780 -8.261 60 1HB PRO 8 2HB PRO 8 -8.577 -0.203 -8.810 61 2HB PRO 8 1HB PRO 8 -8.639 -1.946 -9.111 62 1HG PRO 8 2HG PRO 8 -9.529 -0.479 -6.547 63 2HG PRO 8 1HG PRO 8 -10.542 -1.488 -7.587 64 1HD PRO 8 2HD PRO 8 -9.323 -2.570 -5.417 65 2HD PRO 8 1HD PRO 8 -9.372 -3.512 -6.928 66 H LYS 9 H LYS 9 -6.509 0.537 -8.821 67 HA LYS 9 HA LYS 9 -4.656 2.073 -7.366 68 1HB LYS 9 2HB LYS 9 -5.572 2.508 -9.764 69 2HB LYS 9 1HB LYS 9 -6.930 3.320 -8.998 70 1HG LYS 9 2HG LYS 9 -5.397 5.000 -8.005 71 2HG LYS 9 1HG LYS 9 -4.020 4.102 -8.607 72 1HD LYS 9 2HD LYS 9 -4.352 5.851 -10.228 73 2HD LYS 9 1HD LYS 9 -4.948 4.404 -10.987 74 1HE LYS 9 2HE LYS 9 -6.811 5.664 -11.449 75 2HE LYS 9 1HE LYS 9 -7.263 5.321 -9.784 76 1HZ LYS 9 2HZ LYS 9 -5.391 7.428 -9.729 77 2HZ LYS 9 1HZ LYS 9 -6.569 7.900 -10.811 78 3HZ LYS 9 3HZ LYS 9 -6.909 7.496 -9.218 79 H ASP 10 H ASP 10 -4.841 2.354 -5.205 80 HA ASP 10 HA ASP 10 -7.318 3.367 -3.963 81 1HB ASP 10 2HB ASP 10 -6.216 1.365 -3.187 82 2HB ASP 10 1HB ASP 10 -4.731 2.210 -2.859 83 H GLU 11 H GLU 11 -7.055 5.476 -4.916 84 HA GLU 11 HA GLU 11 -5.090 7.311 -3.622 85 1HB GLU 11 2HB GLU 11 -7.275 7.727 -5.678 86 2HB GLU 11 1HB GLU 11 -6.161 8.981 -5.142 87 1HG GLU 11 2HG GLU 11 -4.179 7.565 -5.843 88 2HG GLU 11 1HG GLU 11 -5.248 6.297 -6.366 89 H GLY 12 H GLY 12 -6.366 6.242 -2.041 90 1HA GLY 12 2HA GLY 12 -8.038 6.055 -0.216 91 2HA GLY 12 1HA GLY 12 -7.014 7.376 0.253 92 H THR 13 H THR 13 -8.772 7.747 1.659 93 HA THR 13 HA THR 13 -11.245 8.897 0.494 94 HB THR 13 HB THR 13 -11.849 9.247 3.021 95 HG1 THR 13 HG1 THR 13 -9.840 9.516 3.941 96 1HG2 THR 13 3HG2 THR 13 -12.073 6.852 2.001 97 2HG2 THR 13 2HG2 THR 13 -10.438 6.576 2.582 98 3HG2 THR 13 1HG2 THR 13 -11.718 6.915 3.725 99 H CYS 14 H CYS 14 -11.406 11.110 2.503 100 HA CYS 14 HA CYS 14 -11.036 13.472 2.186 101 1HB CYS 14 2HB CYS 14 -8.232 12.448 2.779 102 2HB CYS 14 1HB CYS 14 -8.933 13.931 3.345 103 H ARG 15 H ARG 15 -8.174 14.373 1.218 104 HA ARG 15 HA ARG 15 -7.923 13.421 -1.510 105 1HB ARG 15 2HB ARG 15 -10.154 14.962 -1.500 106 2HB ARG 15 1HB ARG 15 -9.009 16.284 -1.399 107 1HG ARG 15 2HG ARG 15 -9.196 16.062 -3.758 108 2HG ARG 15 1HG ARG 15 -7.781 15.101 -3.440 109 1HD ARG 15 2HD ARG 15 -10.582 14.169 -4.164 110 2HD ARG 15 1HD ARG 15 -9.068 13.668 -4.884 111 HE ARG 15 HE ARG 15 -9.939 12.899 -2.109 112 1HH1 ARG 15 1HH2 ARG 15 -8.138 11.839 -4.817 113 2HH1 ARG 15 2HH2 ARG 15 -7.930 10.329 -3.972 114 1HH2 ARG 15 2HH1 ARG 15 -9.554 11.196 -1.234 115 2HH2 ARG 15 1HH1 ARG 15 -8.727 9.966 -2.093 116 H ASP 16 H ASP 16 -6.123 13.492 0.103 117 HA ASP 16 HA ASP 16 -4.316 15.809 -0.280 118 1HB ASP 16 2HB ASP 16 -3.401 13.952 1.751 119 2HB ASP 16 1HB ASP 16 -4.175 15.497 2.011 120 H PHE 17 H PHE 17 -4.650 14.050 -2.421 121 HA PHE 17 HA PHE 17 -3.253 11.999 -3.239 122 1HB PHE 17 2HB PHE 17 -2.841 14.646 -4.566 123 2HB PHE 17 1HB PHE 17 -2.497 13.135 -5.304 124 HD1 PHE 17 HD2 PHE 17 -4.460 11.402 -5.522 125 HD2 PHE 17 HD1 PHE 17 -4.985 15.563 -4.880 126 HE1 PHE 17 HE2 PHE 17 -6.662 11.237 -6.520 127 HE2 PHE 17 HE1 PHE 17 -7.239 15.428 -5.875 128 HZ PHE 17 HZ PHE 17 -8.083 13.260 -6.710 129 H ILE 18 H ILE 18 -1.475 11.132 -2.318 130 HA ILE 18 HA ILE 18 1.151 12.599 -2.779 131 HB ILE 18 HB ILE 18 0.553 11.976 -0.301 132 1HG1 ILE 18 2HG1 ILE 18 2.910 12.379 -1.473 133 2HG1 ILE 18 1HG1 ILE 18 2.804 11.867 0.189 134 1HG2 ILE 18 2HG2 ILE 18 1.248 9.149 -1.265 135 2HG2 ILE 18 1HG2 ILE 18 1.061 9.662 0.409 136 3HG2 ILE 18 3HG2 ILE 18 -0.299 9.690 -0.665 137 1HD1 ILE 18 1HD1 ILE 18 3.397 9.976 -2.157 138 2HD1 ILE 18 3HD1 ILE 18 4.573 10.624 -1.028 139 3HD1 ILE 18 2HD1 ILE 18 3.317 9.541 -0.457 140 H LEU 19 H LEU 19 2.854 11.238 -3.787 141 HA LEU 19 HA LEU 19 1.615 9.230 -5.454 142 1HB LEU 19 2HB LEU 19 2.780 11.009 -6.484 143 2HB LEU 19 1HB LEU 19 4.170 10.815 -5.464 144 HG LEU 19 HG LEU 19 4.696 8.696 -6.421 145 1HD1 LEU 19 1HD1 LEU 19 2.270 9.118 -8.287 146 2HD1 LEU 19 3HD1 LEU 19 3.427 7.827 -8.488 147 3HD1 LEU 19 2HD1 LEU 19 2.396 7.845 -7.094 148 1HD2 LEU 19 3HD2 LEU 19 5.569 10.685 -7.667 149 2HD2 LEU 19 2HD2 LEU 19 5.220 9.426 -8.826 150 3HD2 LEU 19 1HD2 LEU 19 4.096 10.745 -8.619 151 H LYS 20 H LYS 20 1.723 7.098 -5.118 152 HA LYS 20 HA LYS 20 4.157 5.872 -3.889 153 1HB LYS 20 2HB LYS 20 1.566 6.210 -2.569 154 2HB LYS 20 1HB LYS 20 1.837 4.499 -2.792 155 1HG LYS 20 2HG LYS 20 2.940 4.873 -0.736 156 2HG LYS 20 1HG LYS 20 4.261 4.963 -1.868 157 1HD LYS 20 2HD LYS 20 3.410 7.643 -1.786 158 2HD LYS 20 1HD LYS 20 3.090 7.110 -0.169 159 1HE LYS 20 2HE LYS 20 5.328 7.940 -0.094 160 2HE LYS 20 1HE LYS 20 5.487 6.193 -0.051 161 1HZ LYS 20 1HZ LYS 20 5.272 7.205 -2.735 162 2HZ LYS 20 3HZ LYS 20 6.564 7.918 -1.997 163 3HZ LYS 20 2HZ LYS 20 6.523 6.226 -2.127 164 H TRP 21 H TRP 21 3.514 3.174 -3.742 165 HA TRP 21 HA TRP 21 2.954 2.591 -6.617 166 1HB TRP 21 2HB TRP 21 4.867 1.171 -4.714 167 2HB TRP 21 1HB TRP 21 4.543 0.665 -6.362 168 HD1 TRP 21 HD1 TRP 21 6.126 3.577 -4.368 169 HE1 TRP 21 HE1 TRP 21 7.673 4.760 -6.118 170 HE3 TRP 21 HE3 TRP 21 5.043 0.996 -8.536 171 HZ2 TRP 21 HZ2 TRP 21 8.449 4.574 -8.810 172 HZ3 TRP 21 HZ3 TRP 21 6.162 1.447 -10.688 173 HH2 TRP 21 HH2 TRP 21 7.876 3.233 -10.849 174 H TYR 22 H TYR 22 1.904 0.689 -7.177 175 HA TYR 22 HA TYR 22 0.735 -1.001 -5.016 176 1HB TYR 22 2HB TYR 22 -1.482 -0.297 -5.422 177 2HB TYR 22 1HB TYR 22 -0.723 1.186 -5.920 178 HD1 TYR 22 HD1 TYR 22 0.048 1.090 -8.646 179 HD2 TYR 22 HD2 TYR 22 -3.001 -1.168 -6.739 180 HE1 TYR 22 HE1 TYR 22 -1.101 0.703 -10.850 181 HE2 TYR 22 HE2 TYR 22 -4.089 -1.537 -8.936 182 HH TYR 22 HH TYR 22 -2.721 -0.915 -11.839 183 H TYR 23 H TYR 23 -0.020 -3.004 -5.823 184 HA TYR 23 HA TYR 23 1.492 -3.903 -8.179 185 1HB TYR 23 2HB TYR 23 1.326 -5.172 -6.059 186 2HB TYR 23 1HB TYR 23 -0.402 -5.344 -6.336 187 HD1 TYR 23 HD2 TYR 23 2.914 -6.334 -7.603 188 HD2 TYR 23 HD1 TYR 23 -1.286 -6.783 -8.054 189 HE1 TYR 23 HE2 TYR 23 3.266 -8.267 -9.092 190 HE2 TYR 23 HE1 TYR 23 -0.908 -8.721 -9.554 191 HH TYR 23 HH TYR 23 2.358 -9.764 -10.317 192 H ASP 24 H ASP 24 0.749 -4.121 -10.108 193 HA ASP 24 HA ASP 24 -2.103 -3.741 -10.798 194 1HB ASP 24 2HB ASP 24 -0.555 -2.020 -11.319 195 2HB ASP 24 1HB ASP 24 0.489 -3.115 -12.223 196 HA PRO 25 HA PRO 25 -1.973 -8.246 -12.058 197 1HB PRO 25 2HB PRO 25 -4.720 -7.738 -12.784 198 2HB PRO 25 1HB PRO 25 -4.126 -8.594 -11.363 199 1HG PRO 25 2HG PRO 25 -4.730 -5.595 -11.639 200 2HG PRO 25 1HG PRO 25 -5.185 -6.673 -10.311 201 1HD PRO 25 2HD PRO 25 -3.094 -5.147 -9.889 202 2HD PRO 25 1HD PRO 25 -2.847 -6.876 -9.596 203 H ASN 26 H ASN 26 -2.830 -5.350 -13.899 204 HA ASN 26 HA ASN 26 -3.053 -6.610 -16.495 205 1HB ASN 26 2HB ASN 26 -2.062 -3.721 -16.097 206 2HB ASN 26 1HB ASN 26 -3.076 -4.369 -17.359 207 1HD2 ASN 26 2HD2 ASN 26 -4.823 -2.933 -14.161 208 2HD2 ASN 26 1HD2 ASN 26 -3.147 -2.757 -14.403 209 H THR 27 H THR 27 -0.446 -5.298 -14.677 210 HA THR 27 HA THR 27 1.625 -6.013 -16.751 211 HB THR 27 HB THR 27 3.285 -4.898 -15.190 212 HG1 THR 27 HG1 THR 27 1.039 -4.295 -13.551 213 1HG2 THR 27 1HG2 THR 27 0.696 -3.261 -15.224 214 2HG2 THR 27 3HG2 THR 27 2.322 -2.663 -14.988 215 3HG2 THR 27 2HG2 THR 27 1.835 -3.297 -16.550 216 H LYS 28 H LYS 28 1.064 -6.487 -13.429 217 HA LYS 28 HA LYS 28 0.935 -8.218 -12.045 218 1HB LYS 28 2HB LYS 28 2.515 -9.777 -14.263 219 2HB LYS 28 1HB LYS 28 2.188 -10.467 -12.705 220 1HG LYS 28 2HG LYS 28 -0.058 -10.626 -12.923 221 2HG LYS 28 1HG LYS 28 -0.198 -9.226 -13.921 222 1HD LYS 28 2HD LYS 28 0.902 -11.963 -14.912 223 2HD LYS 28 1HD LYS 28 -0.747 -11.477 -15.185 224 1HE LYS 28 2HE LYS 28 1.766 -10.190 -16.303 225 2HE LYS 28 1HE LYS 28 0.527 -11.058 -17.189 226 1HZ LYS 28 2HZ LYS 28 -0.776 -9.004 -15.701 227 2HZ LYS 28 1HZ LYS 28 0.545 -8.327 -16.458 228 3HZ LYS 28 3HZ LYS 28 -0.633 -9.047 -17.371 229 H SER 29 H SER 29 2.611 -6.119 -12.263 230 HA SER 29 HA SER 29 4.683 -6.831 -10.379 231 1HB SER 29 2HB SER 29 6.267 -5.277 -11.766 232 2HB SER 29 1HB SER 29 5.759 -6.704 -12.644 233 HG SER 29 HG SER 29 3.790 -4.931 -13.103 234 H CYS 30 H CYS 30 5.449 -3.930 -10.156 235 HA CYS 30 HA CYS 30 2.849 -2.792 -9.207 236 1HB CYS 30 2HB CYS 30 5.617 -2.425 -8.080 237 2HB CYS 30 1HB CYS 30 4.145 -1.692 -7.502 238 H ALA 31 H ALA 31 2.306 -0.737 -9.474 239 HA ALA 31 HA ALA 31 3.907 1.014 -11.271 240 1HB ALA 31 3HB ALA 31 0.908 0.390 -11.323 241 2HB ALA 31 2HB ALA 31 1.671 1.552 -12.396 242 3HB ALA 31 1HB ALA 31 2.071 -0.154 -12.498 243 H ARG 32 H ARG 32 2.716 3.192 -11.205 244 HA ARG 32 HA ARG 32 2.608 4.043 -8.398 245 1HB ARG 32 2HB ARG 32 3.807 5.089 -10.819 246 2HB ARG 32 1HB ARG 32 2.957 6.355 -9.941 247 1HG ARG 32 2HG ARG 32 4.255 5.673 -7.851 248 2HG ARG 32 1HG ARG 32 5.019 4.407 -8.768 249 1HD ARG 32 2HD ARG 32 5.362 7.410 -9.276 250 2HD ARG 32 1HD ARG 32 6.541 6.350 -8.531 251 HE ARG 32 HE ARG 32 6.416 4.961 -10.724 252 1HH1 ARG 32 1HH2 ARG 32 4.367 6.736 -11.680 253 2HH1 ARG 32 2HH2 ARG 32 5.158 7.667 -12.916 254 1HH2 ARG 32 2HH1 ARG 32 8.171 6.643 -11.509 255 2HH2 ARG 32 1HH1 ARG 32 7.524 7.605 -12.797 256 H PHE 33 H PHE 33 1.297 5.481 -7.543 257 HA PHE 33 HA PHE 33 -0.963 6.662 -9.064 258 1HB PHE 33 2HB PHE 33 -2.707 5.539 -7.863 259 2HB PHE 33 1HB PHE 33 -1.645 4.290 -8.484 260 HD1 PHE 33 HD1 PHE 33 0.478 3.962 -6.522 261 HD2 PHE 33 HD2 PHE 33 -3.611 4.931 -5.872 262 HE1 PHE 33 HE1 PHE 33 0.591 3.041 -4.250 263 HE2 PHE 33 HE2 PHE 33 -3.472 3.987 -3.624 264 HZ PHE 33 HZ PHE 33 -1.366 3.042 -2.817 265 H TRP 34 H TRP 34 -2.394 8.042 -7.751 266 HA TRP 34 HA TRP 34 -0.715 9.525 -5.768 267 1HB TRP 34 2HB TRP 34 -3.242 10.185 -7.431 268 2HB TRP 34 1HB TRP 34 -2.653 11.204 -6.189 269 HD1 TRP 34 HD1 TRP 34 -2.232 10.411 -9.448 270 HE1 TRP 34 HE1 TRP 34 -0.201 11.772 -10.441 271 HE3 TRP 34 HE3 TRP 34 -0.328 12.040 -5.270 272 HZ2 TRP 34 HZ2 TRP 34 1.950 13.393 -9.440 273 HZ3 TRP 34 HZ3 TRP 34 1.660 13.524 -5.162 274 HH2 TRP 34 HH2 TRP 34 2.811 14.193 -7.250 275 H TYR 35 H TYR 35 -1.293 7.546 -4.394 276 HA TYR 35 HA TYR 35 -3.263 6.758 -2.855 277 1HB TYR 35 2HB TYR 35 -1.059 6.159 -2.238 278 2HB TYR 35 1HB TYR 35 -0.582 7.811 -1.937 279 HD1 TYR 35 HD2 TYR 35 -3.825 6.521 -0.538 280 HD2 TYR 35 HD1 TYR 35 0.297 7.283 0.280 281 HE1 TYR 35 HE2 TYR 35 -4.214 6.223 1.861 282 HE2 TYR 35 HE1 TYR 35 -0.156 6.965 2.677 283 HH TYR 35 HH TYR 35 -2.741 7.249 4.067 284 H GLY 36 H GLY 36 -1.738 9.474 -1.539 285 1HA GLY 36 2HA GLY 36 -2.875 11.608 -0.868 286 2HA GLY 36 1HA GLY 36 -4.327 10.659 -0.505 287 H GLY 37 H GLY 37 -4.265 11.419 1.657 288 1HA GLY 37 2HA GLY 37 -2.016 10.341 3.340 289 2HA GLY 37 1HA GLY 37 -3.028 11.719 3.790 290 H CYS 38 H CYS 38 -5.468 10.959 3.612 291 HA CYS 38 HA CYS 38 -6.001 9.306 5.842 292 1HB CYS 38 2HB CYS 38 -7.751 9.983 3.500 293 2HB CYS 38 1HB CYS 38 -8.302 9.157 4.949 294 H GLY 39 H GLY 39 -4.741 7.581 5.650 295 1HA GLY 39 2HA GLY 39 -3.975 5.361 5.168 296 2HA GLY 39 1HA GLY 39 -5.558 5.040 5.768 297 H GLY 40 H GLY 40 -7.219 5.200 3.619 298 1HA GLY 40 2HA GLY 40 -7.801 3.942 1.618 299 2HA GLY 40 1HA GLY 40 -6.100 4.017 1.207 300 H ASN 41 H ASN 41 -6.456 1.763 0.423 301 HA ASN 41 HA ASN 41 -6.736 -0.300 2.591 302 1HB ASN 41 2HB ASN 41 -7.546 -1.781 0.896 303 2HB ASN 41 1HB ASN 41 -8.229 -0.225 0.480 304 1HD2 ASN 41 2HD2 ASN 41 -6.745 -0.258 -2.653 305 2HD2 ASN 41 1HD2 ASN 41 -7.818 0.532 -1.604 306 H GLU 42 H GLU 42 -5.715 -2.423 1.698 307 HA GLU 42 HA GLU 42 -3.008 -2.506 2.438 308 1HB GLU 42 2HB GLU 42 -4.552 -4.642 0.959 309 2HB GLU 42 1HB GLU 42 -3.130 -4.849 1.977 310 1HG GLU 42 2HG GLU 42 -4.957 -5.504 3.359 311 2HG GLU 42 1HG GLU 42 -4.552 -3.903 3.926 312 H ASN 43 H ASN 43 -4.123 -2.451 -0.925 313 HA ASN 43 HA ASN 43 -1.422 -3.293 -1.865 314 1HB ASN 43 2HB ASN 43 -3.529 -3.966 -2.925 315 2HB ASN 43 1HB ASN 43 -3.843 -2.322 -3.460 316 1HD2 ASN 43 2HD2 ASN 43 -2.164 -3.434 -6.412 317 2HD2 ASN 43 1HD2 ASN 43 -3.683 -3.109 -5.744 318 H LYS 44 H LYS 44 -0.656 -1.576 -0.599 319 HA LYS 44 HA LYS 44 0.219 0.600 -2.370 320 1HB LYS 44 2HB LYS 44 -1.761 1.492 -1.451 321 2HB LYS 44 1HB LYS 44 -1.423 0.863 0.144 322 1HG LYS 44 2HG LYS 44 0.193 2.561 0.642 323 2HG LYS 44 1HG LYS 44 0.370 3.001 -1.040 324 1HD LYS 44 2HD LYS 44 -1.155 4.502 0.590 325 2HD LYS 44 1HD LYS 44 -1.558 4.312 -1.095 326 1HE LYS 44 2HE LYS 44 -3.568 4.096 0.280 327 2HE LYS 44 1HE LYS 44 -3.205 2.588 -0.532 328 1HZ LYS 44 1HZ LYS 44 -1.781 2.565 1.880 329 2HZ LYS 44 3HZ LYS 44 -3.351 3.101 2.217 330 3HZ LYS 44 2HZ LYS 44 -3.140 1.626 1.459 331 H PHE 45 H PHE 45 2.245 0.896 -2.396 332 HA PHE 45 HA PHE 45 3.858 0.456 0.081 333 1HB PHE 45 2HB PHE 45 4.603 -0.294 -2.766 334 2HB PHE 45 1HB PHE 45 5.535 -0.650 -1.330 335 HD1 PHE 45 HD1 PHE 45 2.377 -1.422 -3.186 336 HD2 PHE 45 HD2 PHE 45 4.799 -2.460 0.145 337 HE1 PHE 45 HE1 PHE 45 1.066 -3.467 -2.874 338 HE2 PHE 45 HE2 PHE 45 3.484 -4.503 0.470 339 HZ PHE 45 HZ PHE 45 1.600 -5.025 -1.053 340 H GLY 46 H GLY 46 5.853 1.421 0.163 341 1HA GLY 46 2HA GLY 46 5.934 4.223 -0.364 342 2HA GLY 46 1HA GLY 46 7.285 3.248 0.197 343 H SER 47 H SER 47 7.524 1.609 -1.811 344 HA SER 47 HA SER 47 8.353 3.086 -4.258 345 1HB SER 47 2HB SER 47 10.524 2.061 -4.330 346 2HB SER 47 1HB SER 47 10.326 2.971 -2.824 347 HG SER 47 HG SER 47 9.610 0.951 -1.857 348 H GLN 48 H GLN 48 8.634 1.868 -6.185 349 HA GLN 48 HA GLN 48 6.881 -0.183 -6.837 350 1HB GLN 48 2HB GLN 48 8.196 1.063 -8.511 351 2HB GLN 48 1HB GLN 48 9.694 0.467 -7.876 352 1HG GLN 48 2HG GLN 48 7.647 -1.457 -9.109 353 2HG GLN 48 1HG GLN 48 8.887 -0.678 -10.065 354 1HE2 GLN 48 2HE2 GLN 48 9.950 -3.987 -8.463 355 2HE2 GLN 48 1HE2 GLN 48 8.398 -3.603 -9.002 356 H LYS 49 H LYS 49 10.164 -0.591 -6.006 357 HA LYS 49 HA LYS 49 10.374 -3.368 -5.911 358 1HB LYS 49 2HB LYS 49 11.547 -1.497 -3.792 359 2HB LYS 49 1HB LYS 49 12.306 -3.002 -4.288 360 1HG LYS 49 2HG LYS 49 12.982 -2.100 -6.401 361 2HG LYS 49 1HG LYS 49 12.051 -0.651 -6.221 362 1HD LYS 49 2HD LYS 49 14.410 -1.448 -4.383 363 2HD LYS 49 1HD LYS 49 14.545 -0.362 -5.731 364 1HE LYS 49 2HE LYS 49 14.398 1.090 -3.864 365 2HE LYS 49 1HE LYS 49 12.808 1.150 -4.598 366 1HZ LYS 49 1HZ LYS 49 12.880 -0.999 -2.741 367 2HZ LYS 49 3HZ LYS 49 13.405 0.381 -1.934 368 3HZ LYS 49 2HZ LYS 49 11.892 0.365 -2.673 369 H GLU 50 H GLU 50 9.609 -1.463 -3.143 370 HA GLU 50 HA GLU 50 9.262 -3.341 -1.174 371 1HB GLU 50 2HB GLU 50 9.422 -0.993 -1.212 372 2HB GLU 50 1HB GLU 50 7.843 -0.855 -1.972 373 1HG GLU 50 2HG GLU 50 6.795 -1.579 0.168 374 2HG GLU 50 1HG GLU 50 8.384 -1.708 0.891 375 H CYS 51 H CYS 51 6.904 -2.149 -3.395 376 HA CYS 51 HA CYS 51 4.721 -3.934 -2.797 377 1HB CYS 51 2HB CYS 51 4.538 -1.765 -4.037 378 2HB CYS 51 1HB CYS 51 5.469 -2.438 -5.324 379 H GLU 52 H GLU 52 7.109 -4.078 -5.444 380 HA GLU 52 HA GLU 52 6.301 -6.554 -6.615 381 1HB GLU 52 2HB GLU 52 8.127 -4.601 -7.112 382 2HB GLU 52 1HB GLU 52 9.230 -5.695 -6.312 383 1HG GLU 52 2HG GLU 52 9.407 -6.220 -8.695 384 2HG GLU 52 1HG GLU 52 8.420 -7.500 -8.057 385 H LYS 53 H LYS 53 8.758 -6.077 -4.160 386 HA LYS 53 HA LYS 53 9.201 -8.814 -3.683 387 1HB LYS 53 2HB LYS 53 10.636 -6.869 -2.831 388 2HB LYS 53 1HB LYS 53 9.344 -6.428 -1.732 389 1HG LYS 53 2HG LYS 53 9.528 -8.616 -0.566 390 2HG LYS 53 1HG LYS 53 10.765 -9.138 -1.690 391 1HD LYS 53 2HD LYS 53 12.260 -7.290 -0.887 392 2HD LYS 53 1HD LYS 53 10.980 -6.718 0.181 393 1HE LYS 53 2HE LYS 53 11.001 -8.882 1.387 394 2HE LYS 53 1HE LYS 53 12.264 -9.481 0.314 395 1HZ LYS 53 1HZ LYS 53 13.046 -6.928 1.268 396 2HZ LYS 53 3HZ LYS 53 12.597 -7.841 2.619 397 3HZ LYS 53 2HZ LYS 53 13.807 -8.404 1.577 398 H VAL 54 H VAL 54 6.464 -7.026 -2.706 399 HA VAL 54 HA VAL 54 5.635 -9.008 -0.662 400 HB VAL 54 HB VAL 54 4.599 -6.335 -1.688 401 1HG1 VAL 54 2HG1 VAL 54 3.392 -8.141 0.514 402 2HG1 VAL 54 1HG1 VAL 54 2.829 -6.524 0.140 403 3HG1 VAL 54 3HG1 VAL 54 2.616 -7.811 -1.022 404 1HG2 VAL 54 3HG2 VAL 54 6.533 -6.341 -0.136 405 2HG2 VAL 54 2HG2 VAL 54 5.150 -5.649 0.666 406 3HG2 VAL 54 1HG2 VAL 54 5.635 -7.295 1.030 407 H CYS 55 H CYS 55 4.559 -7.903 -3.825 408 HA CYS 55 HA CYS 55 2.601 -10.201 -3.914 409 1HB CYS 55 2HB CYS 55 1.799 -7.896 -4.400 410 2HB CYS 55 1HB CYS 55 2.852 -7.849 -5.799 411 H ALA 56 H ALA 56 5.443 -9.099 -5.562 412 HA ALA 56 HA ALA 56 5.359 -11.234 -7.621 413 1HB ALA 56 1HB ALA 56 5.904 -8.859 -8.255 414 2HB ALA 56 3HB ALA 56 7.256 -8.926 -7.149 415 3HB ALA 56 2HB ALA 56 7.271 -9.925 -8.564 416 HA PRO 57 HA PRO 57 8.230 -13.201 -4.500 417 1HB PRO 57 2HB PRO 57 7.371 -15.776 -4.700 418 2HB PRO 57 1HB PRO 57 6.480 -14.575 -3.746 419 1HG PRO 57 2HG PRO 57 6.035 -15.254 -6.728 420 2HG PRO 57 1HG PRO 57 4.827 -15.419 -5.441 421 1HD PRO 57 2HD PRO 57 4.850 -13.142 -6.855 422 2HD PRO 57 1HD PRO 57 4.779 -13.001 -5.080 423 H VAL 58 HN VAL 58 9.963 -14.720 -4.708 424 HA VAL 58 HA VAL 58 10.799 -15.564 -7.379 425 HB VAL 58 HB VAL 58 13.171 -14.616 -6.699 426 1HG1 VAL 58 1HG1 VAL 58 11.669 -13.426 -8.351 427 2HG1 VAL 58 3HG1 VAL 58 10.894 -12.576 -7.031 428 3HG1 VAL 58 2HG1 VAL 58 12.584 -12.260 -7.402 429 1HG2 VAL 58 1HG2 VAL 58 12.651 -14.282 -4.303 430 2HG2 VAL 58 3HG2 VAL 58 13.192 -12.774 -5.032 431 3HG2 VAL 58 2HG2 VAL 58 11.481 -13.038 -4.710 No H/Q in entry = 431 Start of MODEL 14 1 1H GLU 1 2H GLU 1 -5.320 -14.755 -3.069 2 2H GLU 1 1H GLU 1 -5.866 -16.362 -3.304 3 3H GLU 1 3H GLU 1 -6.802 -15.060 -3.799 4 HA GLU 1 HA GLU 1 -7.876 -14.948 -1.902 5 1HB GLU 1 2HB GLU 1 -5.939 -17.283 -1.327 6 2HB GLU 1 1HB GLU 1 -7.366 -16.944 -0.365 7 1HG GLU 1 2HG GLU 1 -7.587 -18.668 -2.533 8 2HG GLU 1 1HG GLU 1 -8.917 -17.609 -2.183 9 H THR 2 H THR 2 -7.518 -13.538 0.056 10 HA THR 2 HA THR 2 -6.299 -11.810 1.172 11 HB THR 2 HB THR 2 -3.991 -13.903 1.098 12 HG1 THR 2 HG1 THR 2 -5.318 -14.025 3.311 13 1HG2 THR 2 1HG2 THR 2 -4.925 -11.938 3.283 14 2HG2 THR 2 3HG2 THR 2 -3.476 -12.938 3.313 15 3HG2 THR 2 2HG2 THR 2 -3.577 -11.579 2.214 16 H ASP 3 H ASP 3 -6.492 -11.911 -1.338 17 HA ASP 3 HA ASP 3 -4.459 -11.464 -3.154 18 1HB ASP 3 2HB ASP 3 -7.408 -10.778 -3.057 19 2HB ASP 3 1HB ASP 3 -6.431 -10.729 -4.504 20 H ILE 4 H ILE 4 -3.616 -9.712 -1.329 21 HA ILE 4 HA ILE 4 -4.216 -7.000 -1.683 22 HB ILE 4 HB ILE 4 -1.944 -6.478 -1.061 23 1HG1 ILE 4 2HG1 ILE 4 -0.459 -8.649 -0.492 24 2HG1 ILE 4 1HG1 ILE 4 -1.386 -9.377 -1.776 25 1HG2 ILE 4 1HG2 ILE 4 -3.493 -7.198 0.714 26 2HG2 ILE 4 3HG2 ILE 4 -3.065 -8.883 0.454 27 3HG2 ILE 4 2HG2 ILE 4 -1.879 -7.761 1.093 28 1HD1 ILE 4 1HD1 ILE 4 0.262 -6.810 -2.031 29 2HD1 ILE 4 3HD1 ILE 4 0.723 -8.393 -2.619 30 3HD1 ILE 4 2HD1 ILE 4 -0.612 -7.550 -3.356 31 H CYS 5 H CYS 5 -2.913 -9.044 -3.965 32 HA CYS 5 HA CYS 5 -1.799 -7.072 -5.846 33 1HB CYS 5 2HB CYS 5 -2.354 -10.010 -6.129 34 2HB CYS 5 1HB CYS 5 -1.333 -9.075 -7.190 35 H LYS 6 H LYS 6 -4.877 -8.254 -5.306 36 HA LYS 6 HA LYS 6 -5.916 -7.615 -8.047 37 1HB LYS 6 2HB LYS 6 -6.954 -9.377 -5.790 38 2HB LYS 6 1HB LYS 6 -7.934 -8.973 -7.176 39 1HG LYS 6 2HG LYS 6 -6.684 -10.303 -8.691 40 2HG LYS 6 1HG LYS 6 -5.217 -10.147 -7.769 41 1HD LYS 6 2HD LYS 6 -6.120 -12.497 -7.695 42 2HD LYS 6 1HD LYS 6 -5.892 -11.780 -6.139 43 1HE LYS 6 2HE LYS 6 -8.402 -11.410 -5.978 44 2HE LYS 6 1HE LYS 6 -8.600 -12.166 -7.556 45 1HZ LYS 6 3HZ LYS 6 -6.955 -13.787 -5.839 46 2HZ LYS 6 2HZ LYS 6 -8.328 -13.470 -5.030 47 3HZ LYS 6 1HZ LYS 6 -8.433 -14.278 -6.476 48 H LEU 7 H LEU 7 -5.283 -5.877 -5.646 49 HA LEU 7 HA LEU 7 -7.855 -4.582 -5.291 50 1HB LEU 7 2HB LEU 7 -5.332 -4.084 -3.666 51 2HB LEU 7 1HB LEU 7 -6.954 -3.627 -3.228 52 HG LEU 7 HG LEU 7 -5.810 -6.447 -3.320 53 1HD1 LEU 7 1HD1 LEU 7 -5.227 -5.020 -1.355 54 2HD1 LEU 7 3HD1 LEU 7 -6.930 -4.710 -1.080 55 3HD1 LEU 7 2HD1 LEU 7 -6.300 -6.331 -0.878 56 1HD2 LEU 7 2HD2 LEU 7 -8.644 -5.511 -2.597 57 2HD2 LEU 7 1HD2 LEU 7 -8.234 -6.421 -4.040 58 3HD2 LEU 7 3HD2 LEU 7 -8.049 -7.159 -2.468 59 HA PRO 8 HA PRO 8 -5.744 -1.457 -7.812 60 1HB PRO 8 2HB PRO 8 -7.842 -0.134 -8.771 61 2HB PRO 8 1HB PRO 8 -7.744 -1.878 -9.063 62 1HG PRO 8 2HG PRO 8 -9.256 -0.448 -6.780 63 2HG PRO 8 1HG PRO 8 -9.922 -1.608 -7.930 64 1HD PRO 8 2HD PRO 8 -8.925 -2.322 -5.399 65 2HD PRO 8 1HD PRO 8 -8.965 -3.457 -6.775 66 H LYS 9 H LYS 9 -5.856 0.923 -8.055 67 HA LYS 9 HA LYS 9 -4.756 2.299 -5.881 68 1HB LYS 9 2HB LYS 9 -6.664 3.626 -7.715 69 2HB LYS 9 1HB LYS 9 -5.310 4.389 -6.901 70 1HG LYS 9 2HG LYS 9 -3.762 3.197 -8.440 71 2HG LYS 9 1HG LYS 9 -5.117 2.443 -9.253 72 1HD LYS 9 2HD LYS 9 -4.503 5.464 -9.082 73 2HD LYS 9 1HD LYS 9 -4.595 4.502 -10.540 74 1HE LYS 9 2HE LYS 9 -6.656 5.699 -10.556 75 2HE LYS 9 1HE LYS 9 -7.130 4.150 -9.870 76 1HZ LYS 9 1HZ LYS 9 -6.186 5.898 -7.758 77 2HZ LYS 9 3HZ LYS 9 -7.291 6.713 -8.542 78 3HZ LYS 9 2HZ LYS 9 -7.643 5.260 -7.822 79 H ASP 10 H ASP 10 -5.599 2.682 -3.866 80 HA ASP 10 HA ASP 10 -8.472 3.519 -3.648 81 1HB ASP 10 2HB ASP 10 -7.915 1.238 -3.098 82 2HB ASP 10 1HB ASP 10 -6.789 1.728 -1.838 83 H GLU 11 H GLU 11 -7.507 5.613 -4.000 84 HA GLU 11 HA GLU 11 -5.816 7.052 -2.341 85 1HB GLU 11 2HB GLU 11 -8.261 7.958 -3.965 86 2HB GLU 11 1HB GLU 11 -7.165 9.086 -3.192 87 1HG GLU 11 2HG GLU 11 -6.055 9.004 -5.178 88 2HG GLU 11 1HG GLU 11 -5.328 7.602 -4.473 89 H GLY 12 H GLY 12 -9.279 6.730 -1.668 90 1HA GLY 12 2HA GLY 12 -9.932 6.626 0.777 91 2HA GLY 12 1HA GLY 12 -8.796 7.949 1.041 92 H THR 13 H THR 13 -10.588 9.099 2.020 93 HA THR 13 HA THR 13 -12.402 10.393 -0.015 94 HB THR 13 HB THR 13 -14.174 10.547 1.792 95 HG1 THR 13 HG1 THR 13 -12.742 10.616 3.493 96 1HG2 THR 13 3HG2 THR 13 -13.957 8.261 0.530 97 2HG2 THR 13 2HG2 THR 13 -12.918 7.757 1.857 98 3HG2 THR 13 1HG2 THR 13 -14.592 8.165 2.172 99 H CYS 14 H CYS 14 -9.956 11.472 0.630 100 HA CYS 14 HA CYS 14 -10.706 14.028 2.014 101 1HB CYS 14 2HB CYS 14 -7.895 12.928 2.087 102 2HB CYS 14 1HB CYS 14 -8.690 13.954 3.240 103 H ARG 15 H ARG 15 -8.622 15.625 1.464 104 HA ARG 15 HA ARG 15 -8.337 15.602 -1.559 105 1HB ARG 15 2HB ARG 15 -9.978 17.295 -0.499 106 2HB ARG 15 1HB ARG 15 -8.591 17.987 0.320 107 1HG ARG 15 2HG ARG 15 -7.511 18.460 -1.910 108 2HG ARG 15 1HG ARG 15 -8.933 17.827 -2.721 109 1HD ARG 15 2HD ARG 15 -10.323 19.584 -1.538 110 2HD ARG 15 1HD ARG 15 -8.846 20.166 -0.764 111 HE ARG 15 HE ARG 15 -7.935 20.632 -3.123 112 1HH1 ARG 15 1HH2 ARG 15 -9.889 19.244 -4.505 113 2HH1 ARG 15 2HH2 ARG 15 -10.920 20.463 -5.191 114 1HH2 ARG 15 2HH1 ARG 15 -9.602 22.646 -2.818 115 2HH2 ARG 15 1HH1 ARG 15 -10.734 22.595 -4.130 116 H ASP 16 H ASP 16 -6.719 14.478 0.461 117 HA ASP 16 HA ASP 16 -4.151 15.934 0.354 118 1HB ASP 16 2HB ASP 16 -5.260 13.936 2.412 119 2HB ASP 16 1HB ASP 16 -3.890 15.015 2.627 120 H PHE 17 H PHE 17 -3.749 15.004 -1.726 121 HA PHE 17 HA PHE 17 -3.390 12.050 -1.907 122 1HB PHE 17 2HB PHE 17 -3.179 14.103 -4.120 123 2HB PHE 17 1HB PHE 17 -3.291 12.365 -4.312 124 HD1 PHE 17 HD1 PHE 17 -5.329 11.190 -3.084 125 HD2 PHE 17 HD2 PHE 17 -5.197 15.323 -4.100 126 HE1 PHE 17 HE1 PHE 17 -7.761 11.303 -2.934 127 HE2 PHE 17 HE2 PHE 17 -7.649 15.431 -3.950 128 HZ PHE 17 HZ PHE 17 -8.935 13.407 -3.359 129 H ILE 18 H ILE 18 -1.615 11.010 -1.899 130 HA ILE 18 HA ILE 18 1.036 12.344 -2.347 131 HB ILE 18 HB ILE 18 1.974 11.063 -0.433 132 1HG1 ILE 18 2HG1 ILE 18 0.224 9.293 0.675 133 2HG1 ILE 18 1HG1 ILE 18 -0.338 9.223 -0.977 134 1HG2 ILE 18 2HG2 ILE 18 0.396 12.795 0.429 135 2HG2 ILE 18 1HG2 ILE 18 -0.900 11.617 0.431 136 3HG2 ILE 18 3HG2 ILE 18 0.473 11.393 1.481 137 1HD1 ILE 18 1HD1 ILE 18 1.976 8.636 -1.763 138 2HD1 ILE 18 3HD1 ILE 18 2.551 8.758 -0.121 139 3HD1 ILE 18 2HD1 ILE 18 1.420 7.500 -0.566 140 H LEU 19 H LEU 19 2.746 10.827 -3.273 141 HA LEU 19 HA LEU 19 1.425 8.958 -5.196 142 1HB LEU 19 2HB LEU 19 4.118 10.322 -5.072 143 2HB LEU 19 1HB LEU 19 3.926 8.961 -6.126 144 HG LEU 19 HG LEU 19 2.307 11.606 -6.324 145 1HD1 LEU 19 1HD1 LEU 19 4.652 11.741 -7.191 146 2HD1 LEU 19 3HD1 LEU 19 4.326 10.358 -8.231 147 3HD1 LEU 19 2HD1 LEU 19 3.458 11.855 -8.466 148 1HD2 LEU 19 2HD2 LEU 19 2.240 9.155 -8.177 149 2HD2 LEU 19 1HD2 LEU 19 0.945 9.614 -7.096 150 3HD2 LEU 19 3HD2 LEU 19 1.378 10.660 -8.411 151 H LYS 20 H LYS 20 1.751 6.807 -5.347 152 HA LYS 20 HA LYS 20 3.951 5.569 -3.776 153 1HB LYS 20 2HB LYS 20 1.504 5.978 -2.489 154 2HB LYS 20 1HB LYS 20 1.139 4.438 -3.236 155 1HG LYS 20 2HG LYS 20 2.764 3.303 -2.023 156 2HG LYS 20 1HG LYS 20 3.796 4.715 -1.753 157 1HD LYS 20 2HD LYS 20 1.863 5.434 -0.113 158 2HD LYS 20 1HD LYS 20 1.343 3.776 -0.191 159 1HE LYS 20 2HE LYS 20 4.126 4.697 0.765 160 2HE LYS 20 1HE LYS 20 2.806 4.280 1.838 161 1HZ LYS 20 2HZ LYS 20 3.232 2.166 -0.017 162 2HZ LYS 20 1HZ LYS 20 4.688 2.417 0.791 163 3HZ LYS 20 3HZ LYS 20 3.331 2.037 1.606 164 H TRP 21 H TRP 21 3.760 2.997 -4.316 165 HA TRP 21 HA TRP 21 3.226 2.689 -7.212 166 1HB TRP 21 2HB TRP 21 5.167 1.112 -5.420 167 2HB TRP 21 1HB TRP 21 4.974 0.871 -7.134 168 HD1 TRP 21 HD1 TRP 21 6.309 3.619 -4.665 169 HE1 TRP 21 HE1 TRP 21 8.075 4.854 -5.952 170 HE3 TRP 21 HE3 TRP 21 5.924 1.270 -9.098 171 HZ2 TRP 21 HZ2 TRP 21 9.340 4.823 -8.559 172 HZ3 TRP 21 HZ3 TRP 21 7.423 1.840 -10.984 173 HH2 TRP 21 HH2 TRP 21 9.133 3.605 -10.727 174 H TYR 22 H TYR 22 2.027 0.876 -7.815 175 HA TYR 22 HA TYR 22 1.039 -0.925 -5.613 176 1HB TYR 22 2HB TYR 22 -1.173 -0.412 -6.007 177 2HB TYR 22 1HB TYR 22 -0.524 1.127 -6.487 178 HD1 TYR 22 HD1 TYR 22 0.280 0.977 -9.256 179 HD2 TYR 22 HD2 TYR 22 -2.808 -1.170 -7.278 180 HE1 TYR 22 HE1 TYR 22 -0.904 0.619 -11.430 181 HE2 TYR 22 HE2 TYR 22 -3.941 -1.506 -9.460 182 HH TYR 22 HH TYR 22 -2.589 -0.918 -12.381 183 H TYR 23 H TYR 23 0.466 -2.984 -6.393 184 HA TYR 23 HA TYR 23 1.940 -3.871 -8.749 185 1HB TYR 23 2HB TYR 23 1.804 -5.162 -6.573 186 2HB TYR 23 1HB TYR 23 0.099 -5.450 -6.881 187 HD1 TYR 23 HD1 TYR 23 3.473 -5.944 -8.364 188 HD2 TYR 23 HD2 TYR 23 -0.593 -7.135 -8.399 189 HE1 TYR 23 HE1 TYR 23 4.015 -7.787 -9.917 190 HE2 TYR 23 HE2 TYR 23 -0.031 -8.975 -9.967 191 HH TYR 23 HH TYR 23 3.263 -9.423 -11.134 192 H ASP 24 H ASP 24 1.143 -4.057 -10.618 193 HA ASP 24 HA ASP 24 -1.740 -3.758 -11.246 194 1HB ASP 24 2HB ASP 24 -0.278 -2.010 -11.784 195 2HB ASP 24 1HB ASP 24 0.825 -3.049 -12.685 196 HA PRO 25 HA PRO 25 -1.310 -8.298 -12.341 197 1HB PRO 25 2HB PRO 25 -4.134 -8.283 -12.699 198 2HB PRO 25 1HB PRO 25 -3.248 -8.851 -11.286 199 1HG PRO 25 2HG PRO 25 -4.371 -6.039 -11.799 200 2HG PRO 25 1HG PRO 25 -4.519 -7.021 -10.331 201 1HD PRO 25 2HD PRO 25 -2.705 -5.150 -10.314 202 2HD PRO 25 1HD PRO 25 -2.163 -6.759 -9.808 203 H ASN 26 H ASN 26 -2.641 -5.590 -14.063 204 HA ASN 26 HA ASN 26 -3.229 -6.816 -16.601 205 1HB ASN 26 2HB ASN 26 -2.263 -3.910 -16.331 206 2HB ASN 26 1HB ASN 26 -3.530 -4.554 -17.349 207 1HD2 ASN 26 2HD2 ASN 26 -4.503 -3.219 -13.791 208 2HD2 ASN 26 1HD2 ASN 26 -2.955 -2.978 -14.451 209 H THR 27 H THR 27 -0.455 -5.241 -15.326 210 HA THR 27 HA THR 27 1.298 -6.054 -17.650 211 HB THR 27 HB THR 27 1.432 -3.666 -16.749 212 HG1 THR 27 HG1 THR 27 3.453 -3.955 -17.393 213 1HG2 THR 27 3HG2 THR 27 1.495 -4.292 -14.222 214 2HG2 THR 27 2HG2 THR 27 3.092 -4.976 -14.551 215 3HG2 THR 27 1HG2 THR 27 2.792 -3.273 -14.799 216 H LYS 28 H LYS 28 1.259 -6.289 -14.211 217 HA LYS 28 HA LYS 28 1.518 -7.966 -12.764 218 1HB LYS 28 2HB LYS 28 3.003 -9.423 -15.087 219 2HB LYS 28 1HB LYS 28 2.949 -10.069 -13.481 220 1HG LYS 28 2HG LYS 28 0.727 -10.438 -13.378 221 2HG LYS 28 1HG LYS 28 0.309 -9.126 -14.426 222 1HD LYS 28 2HD LYS 28 1.575 -11.789 -15.410 223 2HD LYS 28 1HD LYS 28 -0.144 -11.518 -15.458 224 1HE LYS 28 2HE LYS 28 2.005 -10.021 -16.997 225 2HE LYS 28 1HE LYS 28 0.770 -11.080 -17.645 226 1HZ LYS 28 1HZ LYS 28 -0.557 -9.087 -16.091 227 2HZ LYS 28 3HZ LYS 28 0.568 -8.327 -17.062 228 3HZ LYS 28 2HZ LYS 28 -0.636 -9.223 -17.756 229 H SER 29 H SER 29 2.972 -5.732 -12.826 230 HA SER 29 HA SER 29 5.232 -6.465 -11.145 231 1HB SER 29 2HB SER 29 6.244 -6.039 -13.423 232 2HB SER 29 1HB SER 29 5.423 -4.471 -13.511 233 HG SER 29 HG SER 29 7.719 -5.076 -12.131 234 H CYS 30 H CYS 30 5.851 -3.529 -10.903 235 HA CYS 30 HA CYS 30 3.275 -2.515 -9.728 236 1HB CYS 30 2HB CYS 30 6.057 -2.210 -8.622 237 2HB CYS 30 1HB CYS 30 4.600 -1.590 -7.898 238 H ALA 31 H ALA 31 2.715 -0.452 -10.097 239 HA ALA 31 HA ALA 31 4.581 1.339 -11.570 240 1HB ALA 31 1HB ALA 31 1.613 0.773 -12.136 241 2HB ALA 31 3HB ALA 31 2.578 1.945 -13.017 242 3HB ALA 31 2HB ALA 31 2.950 0.232 -13.126 243 H ARG 32 H ARG 32 3.830 3.534 -11.445 244 HA ARG 32 HA ARG 32 3.179 4.245 -8.710 245 1HB ARG 32 2HB ARG 32 5.005 5.113 -10.252 246 2HB ARG 32 1HB ARG 32 3.758 6.097 -10.978 247 1HG ARG 32 2HG ARG 32 4.506 7.652 -9.318 248 2HG ARG 32 1HG ARG 32 3.076 6.959 -8.632 249 1HD ARG 32 2HD ARG 32 4.617 6.795 -6.836 250 2HD ARG 32 1HD ARG 32 4.557 5.184 -7.491 251 HE ARG 32 HE ARG 32 6.944 5.764 -7.395 252 1HH1 ARG 32 2HH1 ARG 32 6.620 8.464 -8.092 253 2HH1 ARG 32 1HH1 ARG 32 7.375 8.610 -9.653 254 1HH2 ARG 32 1HH2 ARG 32 7.087 5.145 -9.883 255 2HH2 ARG 32 2HH2 ARG 32 7.658 6.524 -10.778 256 H PHE 33 H PHE 33 1.580 5.370 -7.917 257 HA PHE 33 HA PHE 33 -0.429 6.625 -9.682 258 1HB PHE 33 2HB PHE 33 -2.246 5.183 -9.051 259 2HB PHE 33 1HB PHE 33 -0.921 4.056 -9.216 260 HD1 PHE 33 HD1 PHE 33 0.403 3.443 -7.035 261 HD2 PHE 33 HD2 PHE 33 -3.387 5.344 -7.028 262 HE1 PHE 33 HE1 PHE 33 0.027 2.731 -4.708 263 HE2 PHE 33 HE2 PHE 33 -3.774 4.659 -4.739 264 HZ PHE 33 HZ PHE 33 -2.052 3.326 -3.547 265 H TRP 34 H TRP 34 -2.157 7.650 -8.309 266 HA TRP 34 HA TRP 34 -0.815 9.102 -6.104 267 1HB TRP 34 2HB TRP 34 -3.303 9.618 -7.880 268 2HB TRP 34 1HB TRP 34 -3.301 10.419 -6.395 269 HD1 TRP 34 HD1 TRP 34 -2.605 10.892 -9.595 270 HE1 TRP 34 HE1 TRP 34 -1.043 12.952 -9.943 271 HE3 TRP 34 HE3 TRP 34 -0.778 11.498 -4.925 272 HZ2 TRP 34 HZ2 TRP 34 0.654 14.599 -8.502 273 HZ3 TRP 34 HZ3 TRP 34 0.779 13.323 -4.418 274 HH2 TRP 34 HH2 TRP 34 1.511 14.875 -6.183 275 H TYR 35 H TYR 35 -1.489 8.674 -3.981 276 HA TYR 35 HA TYR 35 -3.763 6.836 -3.446 277 1HB TYR 35 2HB TYR 35 -1.657 5.712 -2.931 278 2HB TYR 35 1HB TYR 35 -0.943 7.151 -2.247 279 HD1 TYR 35 HD1 TYR 35 -4.247 5.507 -1.595 280 HD2 TYR 35 HD2 TYR 35 -0.508 6.667 0.128 281 HE1 TYR 35 HE1 TYR 35 -5.014 4.786 0.567 282 HE2 TYR 35 HE2 TYR 35 -1.314 5.923 2.288 283 HH TYR 35 HH TYR 35 -3.583 5.655 3.345 284 H GLY 36 H GLY 36 -1.942 8.595 -1.158 285 1HA GLY 36 2HA GLY 36 -2.662 10.955 -0.359 286 2HA GLY 36 1HA GLY 36 -4.319 10.336 -0.451 287 H GLY 37 H GLY 37 -4.158 11.073 1.843 288 1HA GLY 37 2HA GLY 37 -3.076 8.718 3.420 289 2HA GLY 37 1HA GLY 37 -2.868 10.327 4.024 290 H CYS 38 H CYS 38 -5.772 8.714 2.785 291 HA CYS 38 HA CYS 38 -7.166 9.358 5.356 292 1HB CYS 38 2HB CYS 38 -8.394 7.879 3.024 293 2HB CYS 38 1HB CYS 38 -9.180 8.826 4.247 294 H GLY 39 H GLY 39 -6.419 6.661 3.328 295 1HA GLY 39 2HA GLY 39 -5.490 4.595 4.701 296 2HA GLY 39 1HA GLY 39 -7.036 4.688 5.525 297 H GLY 40 H GLY 40 -5.524 4.073 2.490 298 1HA GLY 40 2HA GLY 40 -8.004 2.652 1.465 299 2HA GLY 40 1HA GLY 40 -6.682 3.166 0.445 300 H ASN 41 H ASN 41 -7.583 0.667 0.220 301 HA ASN 41 HA ASN 41 -6.528 -1.377 1.785 302 1HB ASN 41 2HB ASN 41 -6.981 -2.810 -0.090 303 2HB ASN 41 1HB ASN 41 -8.082 -1.453 -0.285 304 1HD2 ASN 41 2HD2 ASN 41 -6.812 -0.583 -3.375 305 2HD2 ASN 41 1HD2 ASN 41 -7.998 -0.396 -2.178 306 H GLU 42 H GLU 42 -4.911 -2.939 1.403 307 HA GLU 42 HA GLU 42 -2.284 -2.164 1.713 308 1HB GLU 42 2HB GLU 42 -3.679 -4.726 1.044 309 2HB GLU 42 1HB GLU 42 -1.953 -4.660 1.369 310 1HG GLU 42 2HG GLU 42 -3.711 -4.960 3.442 311 2HG GLU 42 1HG GLU 42 -2.260 -4.013 3.659 312 H ASN 43 H ASN 43 -3.547 -2.273 -1.526 313 HA ASN 43 HA ASN 43 -0.845 -2.905 -2.584 314 1HB ASN 43 2HB ASN 43 -3.048 -3.700 -3.480 315 2HB ASN 43 1HB ASN 43 -3.373 -2.076 -4.074 316 1HD2 ASN 43 2HD2 ASN 43 -1.757 -3.447 -6.966 317 2HD2 ASN 43 1HD2 ASN 43 -3.270 -3.198 -6.235 318 H LYS 44 H LYS 44 -0.283 -1.154 -1.210 319 HA LYS 44 HA LYS 44 0.263 1.280 -2.808 320 1HB LYS 44 2HB LYS 44 -0.489 2.788 -0.915 321 2HB LYS 44 1HB LYS 44 -1.760 1.753 -1.514 322 1HG LYS 44 2HG LYS 44 -1.404 0.142 0.349 323 2HG LYS 44 1HG LYS 44 -0.163 1.162 1.044 324 1HD LYS 44 2HD LYS 44 -1.850 3.080 1.045 325 2HD LYS 44 1HD LYS 44 -3.063 1.955 0.500 326 1HE LYS 44 2HE LYS 44 -1.628 1.815 3.179 327 2HE LYS 44 1HE LYS 44 -3.286 2.348 2.903 328 1HZ LYS 44 2HZ LYS 44 -2.946 -0.126 1.621 329 2HZ LYS 44 1HZ LYS 44 -2.490 -0.406 3.218 330 3HZ LYS 44 3HZ LYS 44 -3.963 0.202 2.862 331 H PHE 45 H PHE 45 2.453 0.814 -3.010 332 HA PHE 45 HA PHE 45 4.134 0.688 -0.557 333 1HB PHE 45 2HB PHE 45 4.759 -0.205 -3.330 334 2HB PHE 45 1HB PHE 45 5.649 -0.514 -1.837 335 HD1 PHE 45 HD1 PHE 45 4.416 -1.755 0.057 336 HD2 PHE 45 HD2 PHE 45 2.810 -1.536 -3.876 337 HE1 PHE 45 HE1 PHE 45 2.903 -3.613 0.563 338 HE2 PHE 45 HE2 PHE 45 1.303 -3.396 -3.373 339 HZ PHE 45 HZ PHE 45 1.347 -4.440 -1.140 340 H GLY 46 H GLY 46 5.974 2.069 -0.294 341 1HA GLY 46 2HA GLY 46 6.054 4.695 -1.532 342 2HA GLY 46 1HA GLY 46 7.310 4.010 -0.489 343 H SER 47 H SER 47 7.648 1.746 -2.077 344 HA SER 47 HA SER 47 8.868 2.854 -4.554 345 1HB SER 47 2HB SER 47 11.032 1.816 -4.110 346 2HB SER 47 1HB SER 47 10.545 2.553 -2.576 347 HG SER 47 HG SER 47 9.938 0.640 -1.801 348 H GLN 48 H GLN 48 9.383 1.491 -6.242 349 HA GLN 48 HA GLN 48 7.396 -0.418 -6.881 350 1HB GLN 48 2HB GLN 48 9.060 0.827 -8.440 351 2HB GLN 48 1HB GLN 48 10.277 -0.344 -7.972 352 1HG GLN 48 2HG GLN 48 8.903 -2.213 -8.902 353 2HG GLN 48 1HG GLN 48 7.605 -1.091 -9.273 354 1HE2 GLN 48 2HE2 GLN 48 8.961 -0.514 -12.377 355 2HE2 GLN 48 1HE2 GLN 48 7.548 -0.686 -11.424 356 H LYS 49 H LYS 49 10.665 -0.940 -5.672 357 HA LYS 49 HA LYS 49 10.528 -3.741 -5.431 358 1HB LYS 49 2HB LYS 49 12.155 -1.560 -4.023 359 2HB LYS 49 1HB LYS 49 12.432 -3.246 -3.645 360 1HG LYS 49 2HG LYS 49 12.276 -2.917 -6.579 361 2HG LYS 49 1HG LYS 49 13.429 -1.766 -5.930 362 1HD LYS 49 2HD LYS 49 14.827 -3.475 -4.992 363 2HD LYS 49 1HD LYS 49 13.550 -4.674 -4.995 364 1HE LYS 49 2HE LYS 49 14.703 -3.559 -7.582 365 2HE LYS 49 1HE LYS 49 15.351 -4.998 -6.783 366 1HZ LYS 49 1HZ LYS 49 12.526 -5.220 -6.795 367 2HZ LYS 49 3HZ LYS 49 12.860 -4.881 -8.320 368 3HZ LYS 49 2HZ LYS 49 13.483 -6.214 -7.544 369 H GLU 50 H GLU 50 9.675 -1.315 -2.901 370 HA GLU 50 HA GLU 50 9.050 -2.955 -0.775 371 1HB GLU 50 2HB GLU 50 9.079 -0.615 -0.845 372 2HB GLU 50 1HB GLU 50 7.677 -0.541 -1.894 373 1HG GLU 50 2HG GLU 50 6.390 -1.573 0.211 374 2HG GLU 50 1HG GLU 50 7.853 -1.278 1.112 375 H CYS 51 H CYS 51 7.014 -2.012 -3.399 376 HA CYS 51 HA CYS 51 4.702 -3.667 -2.964 377 1HB CYS 51 2HB CYS 51 4.801 -1.708 -4.565 378 2HB CYS 51 1HB CYS 51 5.909 -2.578 -5.539 379 H GLU 52 H GLU 52 7.310 -4.193 -5.228 380 HA GLU 52 HA GLU 52 6.749 -6.735 -6.245 381 1HB GLU 52 2HB GLU 52 8.611 -5.110 -6.867 382 2HB GLU 52 1HB GLU 52 9.411 -5.513 -5.370 383 1HG GLU 52 2HG GLU 52 9.679 -7.928 -6.202 384 2HG GLU 52 1HG GLU 52 9.048 -7.390 -7.752 385 H LYS 53 H LYS 53 8.698 -6.060 -3.469 386 HA LYS 53 HA LYS 53 9.029 -8.713 -2.555 387 1HB LYS 53 2HB LYS 53 10.383 -6.700 -1.882 388 2HB LYS 53 1HB LYS 53 8.998 -6.057 -1.023 389 1HG LYS 53 2HG LYS 53 8.988 -7.984 0.522 390 2HG LYS 53 1HG LYS 53 10.287 -8.751 -0.375 391 1HD LYS 53 2HD LYS 53 11.789 -6.809 0.195 392 2HD LYS 53 1HD LYS 53 10.459 -6.040 1.057 393 1HE LYS 53 2HE LYS 53 10.329 -7.964 2.610 394 2HE LYS 53 1HE LYS 53 11.639 -8.766 1.746 395 1HZ LYS 53 2HZ LYS 53 12.444 -6.108 2.309 396 2HZ LYS 53 1HZ LYS 53 11.875 -6.765 3.759 397 3HZ LYS 53 3HZ LYS 53 13.131 -7.526 2.918 398 H VAL 54 H VAL 54 6.194 -6.863 -2.254 399 HA VAL 54 HA VAL 54 5.086 -8.573 -0.081 400 HB VAL 54 HB VAL 54 4.295 -5.992 -1.442 401 1HG1 VAL 54 1HG1 VAL 54 2.856 -7.493 0.852 402 2HG1 VAL 54 3HG1 VAL 54 2.396 -5.900 0.277 403 3HG1 VAL 54 2HG1 VAL 54 2.196 -7.299 -0.760 404 1HG2 VAL 54 1HG2 VAL 54 6.091 -5.840 0.236 405 2HG2 VAL 54 3HG2 VAL 54 4.661 -5.048 0.848 406 3HG2 VAL 54 2HG2 VAL 54 5.096 -6.648 1.435 407 H CYS 55 H CYS 55 4.553 -7.757 -3.417 408 HA CYS 55 HA CYS 55 2.407 -9.862 -3.626 409 1HB CYS 55 2HB CYS 55 1.756 -7.613 -4.380 410 2HB CYS 55 1HB CYS 55 3.089 -7.578 -5.503 411 H ALA 56 H ALA 56 5.459 -9.047 -5.222 412 HA ALA 56 HA ALA 56 5.237 -11.042 -7.272 413 1HB ALA 56 3HB ALA 56 6.709 -9.043 -7.416 414 2HB ALA 56 2HB ALA 56 7.679 -9.671 -6.096 415 3HB ALA 56 1HB ALA 56 7.671 -10.507 -7.622 416 HA PRO 57 HA PRO 57 6.488 -14.575 -4.624 417 1HB PRO 57 2HB PRO 57 5.455 -16.573 -6.112 418 2HB PRO 57 1HB PRO 57 4.368 -15.479 -5.232 419 1HG PRO 57 2HG PRO 57 5.348 -15.180 -8.140 420 2HG PRO 57 1HG PRO 57 3.662 -15.322 -7.621 421 1HD PRO 57 2HD PRO 57 4.727 -12.867 -7.967 422 2HD PRO 57 1HD PRO 57 3.702 -13.169 -6.544 423 H VAL 58 HN VAL 58 8.622 -13.678 -5.293 424 HA VAL 58 HA VAL 58 10.070 -15.588 -7.047 425 HB VAL 58 HB VAL 58 11.600 -13.508 -7.599 426 1HG1 VAL 58 2HG1 VAL 58 8.649 -13.382 -8.429 427 2HG1 VAL 58 1HG1 VAL 58 9.972 -12.636 -9.322 428 3HG1 VAL 58 3HG1 VAL 58 9.855 -14.391 -9.205 429 1HG2 VAL 58 1HG2 VAL 58 9.198 -12.006 -6.464 430 2HG2 VAL 58 3HG2 VAL 58 10.794 -12.075 -5.762 431 3HG2 VAL 58 2HG2 VAL 58 10.555 -11.266 -7.301 No H/Q in entry = 431 Start of MODEL 15 1 1H GLU 1 3H GLU 1 -7.017 -13.892 -0.665 2 2H GLU 1 2H GLU 1 -7.851 -15.367 -0.813 3 3H GLU 1 1H GLU 1 -6.448 -15.311 0.045 4 HA GLU 1 HA GLU 1 -5.303 -15.869 -1.726 5 1HB GLU 1 2HB GLU 1 -7.840 -15.576 -3.415 6 2HB GLU 1 1HB GLU 1 -6.491 -16.675 -3.677 7 1HG GLU 1 2HG GLU 1 -8.762 -16.999 -1.682 8 2HG GLU 1 1HG GLU 1 -7.867 -18.208 -2.565 9 H THR 2 H THR 2 -3.796 -14.465 -2.231 10 HA THR 2 HA THR 2 -2.608 -12.612 -3.086 11 HB THR 2 HB THR 2 -2.842 -12.273 -5.628 12 HG1 THR 2 HG1 THR 2 -5.320 -12.759 -4.845 13 1HG2 THR 2 2HG2 THR 2 -3.845 -15.114 -5.051 14 2HG2 THR 2 1HG2 THR 2 -3.051 -14.545 -6.505 15 3HG2 THR 2 3HG2 THR 2 -2.141 -14.679 -5.015 16 H ASP 3 H ASP 3 -4.728 -12.129 -1.747 17 HA ASP 3 HA ASP 3 -6.624 -10.233 -2.021 18 1HB ASP 3 2HB ASP 3 -4.561 -10.653 0.226 19 2HB ASP 3 1HB ASP 3 -6.185 -10.002 0.433 20 H ILE 4 H ILE 4 -3.950 -8.906 -0.566 21 HA ILE 4 HA ILE 4 -4.260 -6.222 -1.198 22 HB ILE 4 HB ILE 4 -2.747 -6.864 0.528 23 1HG1 ILE 4 2HG1 ILE 4 -1.059 -5.602 -1.671 24 2HG1 ILE 4 1HG1 ILE 4 -2.215 -4.760 -0.658 25 1HG2 ILE 4 3HG2 ILE 4 -1.905 -9.049 -0.523 26 2HG2 ILE 4 2HG2 ILE 4 -0.956 -8.105 -1.664 27 3HG2 ILE 4 1HG2 ILE 4 -0.568 -8.083 0.039 28 1HD1 ILE 4 1HD1 ILE 4 -0.921 -5.425 1.383 29 2HD1 ILE 4 3HD1 ILE 4 0.274 -6.228 0.379 30 3HD1 ILE 4 2HD1 ILE 4 0.079 -4.488 0.283 31 H CYS 5 H CYS 5 -2.906 -8.594 -3.143 32 HA CYS 5 HA CYS 5 -1.734 -6.841 -5.195 33 1HB CYS 5 2HB CYS 5 -2.106 -9.816 -5.102 34 2HB CYS 5 1HB CYS 5 -0.931 -8.964 -6.073 35 H LYS 6 H LYS 6 -4.756 -7.699 -4.587 36 HA LYS 6 HA LYS 6 -5.681 -7.630 -7.439 37 1HB LYS 6 2HB LYS 6 -6.880 -8.960 -4.972 38 2HB LYS 6 1HB LYS 6 -7.662 -8.952 -6.538 39 1HG LYS 6 2HG LYS 6 -4.782 -9.935 -6.312 40 2HG LYS 6 1HG LYS 6 -6.032 -10.965 -5.695 41 1HD LYS 6 2HD LYS 6 -6.128 -9.765 -8.515 42 2HD LYS 6 1HD LYS 6 -5.192 -11.208 -8.214 43 1HE LYS 6 2HE LYS 6 -8.156 -10.906 -7.603 44 2HE LYS 6 1HE LYS 6 -7.499 -11.717 -9.025 45 1HZ LYS 6 2HZ LYS 6 -6.108 -12.672 -6.741 46 2HZ LYS 6 1HZ LYS 6 -7.725 -12.764 -6.367 47 3HZ LYS 6 3HZ LYS 6 -7.111 -13.572 -7.731 48 H LEU 7 H LEU 7 -5.195 -5.613 -5.145 49 HA LEU 7 HA LEU 7 -7.757 -4.259 -5.105 50 1HB LEU 7 2HB LEU 7 -5.301 -3.673 -3.437 51 2HB LEU 7 1HB LEU 7 -6.908 -3.054 -3.154 52 HG LEU 7 HG LEU 7 -5.919 -5.910 -2.831 53 1HD1 LEU 7 1HD1 LEU 7 -5.472 -4.300 -1.029 54 2HD1 LEU 7 3HD1 LEU 7 -7.176 -3.912 -0.924 55 3HD1 LEU 7 2HD1 LEU 7 -6.607 -5.511 -0.492 56 1HD2 LEU 7 2HD2 LEU 7 -8.781 -4.836 -2.510 57 2HD2 LEU 7 1HD2 LEU 7 -8.271 -5.933 -3.786 58 3HD2 LEU 7 3HD2 LEU 7 -8.244 -6.463 -2.121 59 HA PRO 8 HA PRO 8 -5.357 -1.964 -8.481 60 1HB PRO 8 2HB PRO 8 -7.704 -0.906 -9.569 61 2HB PRO 8 1HB PRO 8 -6.988 -2.456 -10.013 62 1HG PRO 8 2HG PRO 8 -9.105 -1.908 -7.852 63 2HG PRO 8 1HG PRO 8 -9.240 -3.041 -9.205 64 1HD PRO 8 2HD PRO 8 -8.505 -4.024 -6.897 65 2HD PRO 8 1HD PRO 8 -7.451 -4.463 -8.255 66 H LYS 9 H LYS 9 -5.980 0.209 -9.361 67 HA LYS 9 HA LYS 9 -4.817 2.225 -7.804 68 1HB LYS 9 2HB LYS 9 -5.433 2.350 -10.320 69 2HB LYS 9 1HB LYS 9 -7.053 2.807 -9.804 70 1HG LYS 9 2HG LYS 9 -5.892 4.711 -8.426 71 2HG LYS 9 1HG LYS 9 -4.448 4.323 -9.325 72 1HD LYS 9 2HD LYS 9 -5.444 6.112 -10.481 73 2HD LYS 9 1HD LYS 9 -5.725 4.705 -11.469 74 1HE LYS 9 2HE LYS 9 -8.035 4.684 -11.098 75 2HE LYS 9 1HE LYS 9 -7.873 5.352 -9.476 76 1HZ LYS 9 1HZ LYS 9 -6.823 7.321 -10.990 77 2HZ LYS 9 3HZ LYS 9 -8.221 6.895 -11.925 78 3HZ LYS 9 2HZ LYS 9 -8.243 7.331 -10.289 79 H ASP 10 H ASP 10 -5.489 2.072 -5.707 80 HA ASP 10 HA ASP 10 -8.134 3.041 -4.862 81 1HB ASP 10 2HB ASP 10 -7.275 0.997 -3.888 82 2HB ASP 10 1HB ASP 10 -5.768 1.779 -3.418 83 H GLU 11 H GLU 11 -7.699 5.141 -5.676 84 HA GLU 11 HA GLU 11 -5.815 7.005 -4.528 85 1HB GLU 11 2HB GLU 11 -8.452 7.416 -6.039 86 2HB GLU 11 1HB GLU 11 -7.357 8.713 -5.616 87 1HG GLU 11 2HG GLU 11 -5.560 7.874 -6.926 88 2HG GLU 11 1HG GLU 11 -6.247 6.277 -7.065 89 H GLY 12 H GLY 12 -9.197 6.304 -3.660 90 1HA GLY 12 2HA GLY 12 -9.937 6.276 -1.321 91 2HA GLY 12 1HA GLY 12 -8.753 7.508 -0.955 92 H THR 13 H THR 13 -11.176 7.837 0.031 93 HA THR 13 HA THR 13 -12.575 9.880 -1.687 94 HB THR 13 HB THR 13 -14.541 9.486 -0.061 95 HG1 THR 13 HG1 THR 13 -13.533 8.751 1.708 96 1HG2 THR 13 3HG2 THR 13 -14.229 7.813 -2.065 97 2HG2 THR 13 2HG2 THR 13 -13.305 6.826 -0.939 98 3HG2 THR 13 1HG2 THR 13 -14.997 7.145 -0.630 99 H CYS 14 H CYS 14 -10.351 10.718 -0.681 100 HA CYS 14 HA CYS 14 -11.102 12.577 1.549 101 1HB CYS 14 2HB CYS 14 -9.684 10.680 2.240 102 2HB CYS 14 1HB CYS 14 -8.454 11.137 1.111 103 H ARG 15 H ARG 15 -8.804 14.063 1.600 104 HA ARG 15 HA ARG 15 -8.802 15.448 -1.088 105 1HB ARG 15 2HB ARG 15 -10.093 16.480 0.914 106 2HB ARG 15 1HB ARG 15 -8.518 16.907 1.553 107 1HG ARG 15 2HG ARG 15 -8.257 17.816 -1.072 108 2HG ARG 15 1HG ARG 15 -9.984 18.007 -0.858 109 1HD ARG 15 2HD ARG 15 -8.958 20.093 -0.086 110 2HD ARG 15 1HD ARG 15 -9.416 19.203 1.363 111 HE ARG 15 HE ARG 15 -7.042 18.196 1.345 112 1HH1 ARG 15 1HH2 ARG 15 -7.062 20.294 -1.014 113 2HH1 ARG 15 2HH2 ARG 15 -5.613 21.132 -0.519 114 1HH2 ARG 15 2HH1 ARG 15 -5.692 19.298 2.397 115 2HH2 ARG 15 1HH1 ARG 15 -4.782 20.516 1.639 116 H ASP 16 H ASP 16 -6.499 14.998 1.648 117 HA ASP 16 HA ASP 16 -4.379 16.238 0.029 118 1HB ASP 16 2HB ASP 16 -4.543 15.247 2.926 119 2HB ASP 16 1HB ASP 16 -3.139 16.025 2.237 120 H PHE 17 H PHE 17 -3.918 14.718 -1.574 121 HA PHE 17 HA PHE 17 -3.221 11.922 -0.779 122 1HB PHE 17 2HB PHE 17 -3.594 13.146 -3.529 123 2HB PHE 17 1HB PHE 17 -3.178 11.476 -3.253 124 HD1 PHE 17 HD2 PHE 17 -5.512 12.557 -0.710 125 HD2 PHE 17 HD1 PHE 17 -5.220 11.251 -4.753 126 HE1 PHE 17 HE2 PHE 17 -7.859 11.962 -0.692 127 HE2 PHE 17 HE1 PHE 17 -7.585 10.651 -4.716 128 HZ PHE 17 HZ PHE 17 -8.919 10.996 -2.695 129 H ILE 18 H ILE 18 -1.475 10.892 -1.200 130 HA ILE 18 HA ILE 18 1.063 12.323 -1.878 131 HB ILE 18 HB ILE 18 2.139 10.976 -0.043 132 1HG1 ILE 18 2HG1 ILE 18 0.440 9.534 1.389 133 2HG1 ILE 18 1HG1 ILE 18 -0.506 9.475 -0.076 134 1HG2 ILE 18 1HG2 ILE 18 0.873 12.981 0.665 135 2HG2 ILE 18 3HG2 ILE 18 -0.556 12.001 0.906 136 3HG2 ILE 18 2HG2 ILE 18 0.858 11.738 1.901 137 1HD1 ILE 18 3HD1 ILE 18 2.393 8.585 0.128 138 2HD1 ILE 18 2HD1 ILE 18 0.996 7.521 0.117 139 3HD1 ILE 18 1HD1 ILE 18 1.387 8.454 -1.311 140 H LEU 19 H LEU 19 2.757 10.858 -2.908 141 HA LEU 19 HA LEU 19 1.461 9.054 -4.820 142 1HB LEU 19 2HB LEU 19 2.657 10.787 -5.782 143 2HB LEU 19 1HB LEU 19 3.939 10.716 -4.622 144 HG LEU 19 HG LEU 19 4.756 8.560 -5.562 145 1HD1 LEU 19 1HD1 LEU 19 2.654 8.992 -7.765 146 2HD1 LEU 19 3HD1 LEU 19 3.886 7.736 -7.769 147 3HD1 LEU 19 2HD1 LEU 19 2.620 7.696 -6.595 148 1HD2 LEU 19 3HD2 LEU 19 5.667 10.681 -6.471 149 2HD2 LEU 19 2HD2 LEU 19 5.635 9.460 -7.719 150 3HD2 LEU 19 1HD2 LEU 19 4.402 10.718 -7.687 151 H LYS 20 H LYS 20 1.832 6.933 -5.009 152 HA LYS 20 HA LYS 20 4.087 5.618 -3.627 153 1HB LYS 20 2HB LYS 20 1.118 5.126 -3.025 154 2HB LYS 20 1HB LYS 20 2.279 3.871 -2.665 155 1HG LYS 20 2HG LYS 20 2.493 6.709 -1.571 156 2HG LYS 20 1HG LYS 20 1.693 5.413 -0.712 157 1HD LYS 20 2HD LYS 20 3.659 4.080 -0.558 158 2HD LYS 20 1HD LYS 20 4.535 5.049 -1.720 159 1HE LYS 20 2HE LYS 20 3.751 5.997 1.032 160 2HE LYS 20 1HE LYS 20 5.332 5.355 0.590 161 1HZ LYS 20 1HZ LYS 20 4.533 7.311 -1.360 162 2HZ LYS 20 3HZ LYS 20 4.390 8.001 0.157 163 3HZ LYS 20 2HZ LYS 20 5.872 7.366 -0.348 164 H TRP 21 H TRP 21 3.897 3.056 -3.983 165 HA TRP 21 HA TRP 21 3.449 2.596 -6.891 166 1HB TRP 21 2HB TRP 21 5.259 1.167 -4.855 167 2HB TRP 21 1HB TRP 21 4.997 0.561 -6.472 168 HD1 TRP 21 HD1 TRP 21 6.707 3.464 -4.582 169 HE1 TRP 21 HE1 TRP 21 8.335 4.473 -6.271 170 HE3 TRP 21 HE3 TRP 21 5.498 0.834 -8.662 171 HZ2 TRP 21 HZ2 TRP 21 9.141 4.156 -9.012 172 HZ3 TRP 21 HZ3 TRP 21 6.690 1.119 -10.812 173 HH2 TRP 21 HH2 TRP 21 8.510 2.775 -11.000 174 H TYR 22 H TYR 22 2.028 0.945 -7.429 175 HA TYR 22 HA TYR 22 0.865 -0.733 -5.218 176 1HB TYR 22 2HB TYR 22 -1.247 0.170 -5.637 177 2HB TYR 22 1HB TYR 22 -0.359 1.480 -6.366 178 HD1 TYR 22 HD1 TYR 22 -1.870 -1.769 -7.222 179 HD2 TYR 22 HD2 TYR 22 -0.826 2.091 -8.657 180 HE1 TYR 22 HE1 TYR 22 -3.073 -2.248 -9.330 181 HE2 TYR 22 HE2 TYR 22 -2.062 1.552 -10.786 182 HH TYR 22 HH TYR 22 -2.829 -1.048 -11.947 183 H TYR 23 H TYR 23 -0.054 -2.676 -6.008 184 HA TYR 23 HA TYR 23 1.482 -3.814 -8.274 185 1HB TYR 23 2HB TYR 23 1.299 -4.839 -6.015 186 2HB TYR 23 1HB TYR 23 -0.403 -5.101 -6.331 187 HD1 TYR 23 HD2 TYR 23 2.971 -5.930 -7.627 188 HD2 TYR 23 HD1 TYR 23 -1.128 -6.981 -7.552 189 HE1 TYR 23 HE2 TYR 23 3.488 -8.093 -8.691 190 HE2 TYR 23 HE1 TYR 23 -0.622 -9.139 -8.612 191 HH TYR 23 HH TYR 23 2.078 -10.410 -8.354 192 H ASP 24 H ASP 24 0.731 -3.937 -10.203 193 HA ASP 24 HA ASP 24 -2.159 -3.764 -10.794 194 1HB ASP 24 2HB ASP 24 -0.692 -2.056 -11.587 195 2HB ASP 24 1HB ASP 24 0.304 -3.244 -12.455 196 HA PRO 25 HA PRO 25 -1.488 -8.327 -11.648 197 1HB PRO 25 2HB PRO 25 -4.202 -8.863 -11.644 198 2HB PRO 25 1HB PRO 25 -3.205 -8.831 -10.182 199 1HG PRO 25 2HG PRO 25 -4.695 -6.444 -11.423 200 2HG PRO 25 1HG PRO 25 -4.940 -7.102 -9.783 201 1HD PRO 25 2HD PRO 25 -3.328 -5.071 -10.013 202 2HD PRO 25 1HD PRO 25 -2.635 -6.468 -9.167 203 H ASN 26 H ASN 26 -2.096 -5.860 -13.602 204 HA ASN 26 HA ASN 26 -3.155 -7.393 -15.961 205 1HB ASN 26 2HB ASN 26 -3.702 -4.792 -15.084 206 2HB ASN 26 1HB ASN 26 -2.352 -4.478 -16.138 207 1HD2 ASN 26 2HD2 ASN 26 -5.775 -4.832 -17.857 208 2HD2 ASN 26 1HD2 ASN 26 -5.581 -4.457 -16.196 209 H THR 27 H THR 27 -0.438 -5.589 -14.758 210 HA THR 27 HA THR 27 1.384 -6.488 -16.991 211 HB THR 27 HB THR 27 3.120 -4.976 -15.979 212 HG1 THR 27 HG1 THR 27 3.000 -4.684 -13.860 213 1HG2 THR 27 2HG2 THR 27 1.115 -3.609 -16.931 214 2HG2 THR 27 1HG2 THR 27 0.458 -3.647 -15.307 215 3HG2 THR 27 3HG2 THR 27 1.971 -2.831 -15.602 216 H LYS 28 H LYS 28 0.749 -6.667 -13.726 217 HA LYS 28 HA LYS 28 0.876 -8.128 -12.097 218 1HB LYS 28 2HB LYS 28 1.117 -9.808 -14.229 219 2HB LYS 28 1HB LYS 28 2.780 -9.922 -13.732 220 1HG LYS 28 2HG LYS 28 1.344 -10.252 -11.311 221 2HG LYS 28 1HG LYS 28 0.242 -10.905 -12.457 222 1HD LYS 28 2HD LYS 28 1.700 -12.828 -11.648 223 2HD LYS 28 1HD LYS 28 1.970 -12.540 -13.342 224 1HE LYS 28 2HE LYS 28 4.072 -12.888 -12.064 225 2HE LYS 28 1HE LYS 28 4.033 -11.358 -12.924 226 1HZ LYS 28 1HZ LYS 28 2.850 -10.886 -10.403 227 2HZ LYS 28 3HZ LYS 28 4.299 -11.704 -10.097 228 3HZ LYS 28 2HZ LYS 28 4.220 -10.267 -10.997 229 H SER 29 H SER 29 2.528 -6.028 -12.533 230 HA SER 29 HA SER 29 4.745 -6.617 -10.663 231 1HB SER 29 2HB SER 29 6.301 -5.237 -12.118 232 2HB SER 29 1HB SER 29 5.474 -6.363 -13.190 233 HG SER 29 HG SER 29 5.145 -3.623 -13.079 234 H CYS 30 H CYS 30 5.327 -3.597 -10.772 235 HA CYS 30 HA CYS 30 2.787 -2.618 -9.557 236 1HB CYS 30 2HB CYS 30 5.618 -2.171 -8.568 237 2HB CYS 30 1HB CYS 30 4.155 -1.576 -7.834 238 H ALA 31 H ALA 31 2.350 -0.481 -9.698 239 HA ALA 31 HA ALA 31 3.868 1.191 -11.639 240 1HB ALA 31 2HB ALA 31 0.825 0.762 -11.432 241 2HB ALA 31 1HB ALA 31 1.591 1.853 -12.579 242 3HB ALA 31 3HB ALA 31 1.845 0.121 -12.699 243 H ARG 32 H ARG 32 2.959 3.476 -11.374 244 HA ARG 32 HA ARG 32 3.013 4.181 -8.527 245 1HB ARG 32 2HB ARG 32 3.733 5.582 -11.041 246 2HB ARG 32 1HB ARG 32 3.908 6.362 -9.462 247 1HG ARG 32 2HG ARG 32 5.546 4.586 -8.795 248 2HG ARG 32 1HG ARG 32 5.267 3.726 -10.281 249 1HD ARG 32 2HD ARG 32 7.281 4.925 -10.671 250 2HD ARG 32 1HD ARG 32 6.039 5.805 -11.547 251 HE ARG 32 HE ARG 32 6.900 6.608 -8.749 252 1HH1 ARG 32 2HH1 ARG 32 4.779 8.014 -9.458 253 2HH1 ARG 32 1HH1 ARG 32 5.327 9.445 -10.265 254 1HH2 ARG 32 1HH2 ARG 32 8.332 7.788 -10.818 255 2HH2 ARG 32 2HH2 ARG 32 7.549 9.308 -11.110 256 H PHE 33 H PHE 33 1.499 5.440 -7.517 257 HA PHE 33 HA PHE 33 -0.429 6.989 -9.166 258 1HB PHE 33 2HB PHE 33 -2.422 5.752 -8.389 259 2HB PHE 33 1HB PHE 33 -1.266 4.636 -9.064 260 HD1 PHE 33 HD2 PHE 33 0.199 5.057 -5.959 261 HD2 PHE 33 HD1 PHE 33 -3.324 3.587 -7.799 262 HE1 PHE 33 HE2 PHE 33 -0.145 3.513 -4.100 263 HE2 PHE 33 HE1 PHE 33 -3.673 2.028 -5.923 264 HZ PHE 33 HZ PHE 33 -2.110 1.988 -4.104 265 H TRP 34 H TRP 34 -2.051 8.165 -7.890 266 HA TRP 34 HA TRP 34 -0.813 9.480 -5.514 267 1HB TRP 34 2HB TRP 34 -2.694 10.407 -7.787 268 2HB TRP 34 1HB TRP 34 -2.583 11.385 -6.413 269 HD1 TRP 34 HD1 TRP 34 -1.251 10.904 -9.441 270 HE1 TRP 34 HE1 TRP 34 0.962 12.288 -9.687 271 HE3 TRP 34 HE3 TRP 34 -0.397 11.890 -4.693 272 HZ2 TRP 34 HZ2 TRP 34 2.810 13.660 -8.011 273 HZ3 TRP 34 HZ3 TRP 34 1.517 13.279 -3.944 274 HH2 TRP 34 HH2 TRP 34 3.138 14.147 -5.598 275 H TYR 35 H TYR 35 -1.747 8.758 -3.521 276 HA TYR 35 HA TYR 35 -4.744 8.797 -3.416 277 1HB TYR 35 2HB TYR 35 -4.926 6.629 -2.765 278 2HB TYR 35 1HB TYR 35 -3.446 6.432 -3.655 279 HD1 TYR 35 HD1 TYR 35 -1.214 6.800 -2.097 280 HD2 TYR 35 HD2 TYR 35 -5.126 5.912 -0.696 281 HE1 TYR 35 HE1 TYR 35 -0.277 5.879 0.016 282 HE2 TYR 35 HE2 TYR 35 -4.178 5.027 1.383 283 HH TYR 35 HH TYR 35 -1.240 5.548 2.442 284 H GLY 36 H GLY 36 -5.639 8.610 -1.274 285 1HA GLY 36 2HA GLY 36 -4.149 10.366 0.695 286 2HA GLY 36 1HA GLY 36 -5.899 10.251 0.602 287 H GLY 37 H GLY 37 -4.089 9.879 2.844 288 1HA GLY 37 2HA GLY 37 -4.492 6.963 3.526 289 2HA GLY 37 1HA GLY 37 -3.451 8.055 4.414 290 H CYS 38 H CYS 38 -6.729 8.562 3.483 291 HA CYS 38 HA CYS 38 -7.570 8.664 6.367 292 1HB CYS 38 2HB CYS 38 -9.276 10.191 4.578 293 2HB CYS 38 1HB CYS 38 -8.336 10.749 5.928 294 H GLY 39 H GLY 39 -7.605 6.312 4.918 295 1HA GLY 39 2HA GLY 39 -9.468 4.585 5.451 296 2HA GLY 39 1HA GLY 39 -10.561 5.687 4.653 297 H GLY 40 H GLY 40 -7.696 3.776 3.946 298 1HA GLY 40 2HA GLY 40 -8.916 2.855 1.351 299 2HA GLY 40 1HA GLY 40 -7.275 3.460 1.334 300 H ASN 41 H ASN 41 -6.945 1.257 0.432 301 HA ASN 41 HA ASN 41 -6.964 -1.017 2.379 302 1HB ASN 41 2HB ASN 41 -6.383 -2.401 0.398 303 2HB ASN 41 1HB ASN 41 -7.725 -1.348 -0.024 304 1HD2 ASN 41 2HD2 ASN 41 -5.950 -0.261 -2.796 305 2HD2 ASN 41 1HD2 ASN 41 -7.422 -0.772 -2.152 306 H GLU 42 H GLU 42 -4.609 -2.410 1.386 307 HA GLU 42 HA GLU 42 -2.569 -0.832 2.856 308 1HB GLU 42 2HB GLU 42 -1.822 -3.525 1.670 309 2HB GLU 42 1HB GLU 42 -1.483 -2.864 3.234 310 1HG GLU 42 2HG GLU 42 -3.008 -4.712 3.630 311 2HG GLU 42 1HG GLU 42 -4.022 -3.293 3.783 312 H ASN 43 H ASN 43 -2.652 -2.744 -0.087 313 HA ASN 43 HA ASN 43 -0.626 -2.439 -1.680 314 1HB ASN 43 2HB ASN 43 -2.560 -3.381 -2.398 315 2HB ASN 43 1HB ASN 43 -3.519 -1.919 -2.365 316 1HD2 ASN 43 2HD2 ASN 43 -2.788 -1.378 -5.731 317 2HD2 ASN 43 1HD2 ASN 43 -3.907 -1.223 -4.479 318 H LYS 44 H LYS 44 0.000 -0.380 -0.424 319 HA LYS 44 HA LYS 44 0.657 1.654 -2.486 320 1HB LYS 44 2HB LYS 44 -0.519 2.244 0.302 321 2HB LYS 44 1HB LYS 44 0.251 3.475 -0.647 322 1HG LYS 44 2HG LYS 44 -1.958 3.879 -1.400 323 2HG LYS 44 1HG LYS 44 -1.319 2.816 -2.571 324 1HD LYS 44 2HD LYS 44 -3.458 1.884 -2.295 325 2HD LYS 44 1HD LYS 44 -2.620 0.884 -1.148 326 1HE LYS 44 2HE LYS 44 -4.157 3.385 -0.513 327 2HE LYS 44 1HE LYS 44 -4.647 1.731 -0.210 328 1HZ LYS 44 2HZ LYS 44 -2.114 1.739 0.704 329 2HZ LYS 44 1HZ LYS 44 -2.622 3.243 1.301 330 3HZ LYS 44 3HZ LYS 44 -3.451 1.790 1.670 331 H PHE 45 H PHE 45 2.634 0.912 -2.620 332 HA PHE 45 HA PHE 45 4.420 0.706 -0.248 333 1HB PHE 45 2HB PHE 45 4.830 -0.150 -3.157 334 2HB PHE 45 1HB PHE 45 5.837 -0.573 -1.792 335 HD1 PHE 45 HD1 PHE 45 4.893 -1.964 0.023 336 HD2 PHE 45 HD2 PHE 45 2.805 -1.451 -3.642 337 HE1 PHE 45 HE1 PHE 45 3.587 -4.003 0.497 338 HE2 PHE 45 HE2 PHE 45 1.501 -3.482 -3.178 339 HZ PHE 45 HZ PHE 45 1.869 -4.751 -1.127 340 H GLY 46 H GLY 46 6.547 1.538 -0.360 341 1HA GLY 46 2HA GLY 46 6.753 4.334 -1.266 342 2HA GLY 46 1HA GLY 46 7.996 3.413 -0.412 343 H SER 47 H SER 47 8.113 1.341 -2.235 344 HA SER 47 HA SER 47 9.193 2.568 -4.717 345 1HB SER 47 2HB SER 47 11.291 1.300 -4.558 346 2HB SER 47 1HB SER 47 11.038 2.052 -2.974 347 HG SER 47 HG SER 47 10.015 0.180 -2.267 348 H GLN 48 H GLN 48 9.509 1.224 -6.532 349 HA GLN 48 HA GLN 48 7.376 -0.585 -7.023 350 1HB GLN 48 2HB GLN 48 8.822 0.568 -8.806 351 2HB GLN 48 1HB GLN 48 10.093 -0.574 -8.462 352 1HG GLN 48 2HG GLN 48 8.290 -2.471 -8.962 353 2HG GLN 48 1HG GLN 48 7.327 -1.170 -9.628 354 1HE2 GLN 48 2HE2 GLN 48 9.968 -2.780 -11.949 355 2HE2 GLN 48 1HE2 GLN 48 9.395 -3.525 -10.520 356 H LYS 49 H LYS 49 10.740 -1.294 -6.308 357 HA LYS 49 HA LYS 49 10.406 -4.102 -6.316 358 1HB LYS 49 2HB LYS 49 12.602 -2.300 -6.033 359 2HB LYS 49 1HB LYS 49 12.467 -2.909 -4.410 360 1HG LYS 49 2HG LYS 49 14.009 -4.405 -5.360 361 2HG LYS 49 1HG LYS 49 12.528 -5.311 -5.502 362 1HD LYS 49 2HD LYS 49 13.762 -3.561 -7.723 363 2HD LYS 49 1HD LYS 49 13.987 -5.279 -7.652 364 1HE LYS 49 2HE LYS 49 11.329 -3.866 -8.174 365 2HE LYS 49 1HE LYS 49 12.312 -4.696 -9.354 366 1HZ LYS 49 3HZ LYS 49 11.906 -6.514 -7.183 367 2HZ LYS 49 2HZ LYS 49 10.420 -5.823 -7.659 368 3HZ LYS 49 1HZ LYS 49 11.320 -6.585 -8.775 369 H GLU 50 H GLU 50 10.068 -1.886 -3.546 370 HA GLU 50 HA GLU 50 9.709 -3.731 -1.523 371 1HB GLU 50 2HB GLU 50 9.881 -1.444 -1.229 372 2HB GLU 50 1HB GLU 50 8.532 -1.122 -2.308 373 1HG GLU 50 2HG GLU 50 7.007 -2.175 -0.510 374 2HG GLU 50 1HG GLU 50 8.388 -2.132 0.566 375 H CYS 51 H CYS 51 7.249 -2.305 -3.519 376 HA CYS 51 HA CYS 51 4.956 -3.841 -2.925 377 1HB CYS 51 2HB CYS 51 4.957 -1.802 -4.325 378 2HB CYS 51 1HB CYS 51 5.895 -2.602 -5.533 379 H GLU 52 H GLU 52 7.179 -4.413 -5.571 380 HA GLU 52 HA GLU 52 6.107 -6.919 -6.479 381 1HB GLU 52 2HB GLU 52 7.658 -5.072 -7.464 382 2HB GLU 52 1HB GLU 52 8.932 -5.689 -6.448 383 1HG GLU 52 2HG GLU 52 9.009 -7.790 -7.842 384 2HG GLU 52 1HG GLU 52 7.562 -7.295 -8.691 385 H LYS 53 H LYS 53 8.651 -6.371 -4.051 386 HA LYS 53 HA LYS 53 9.098 -9.122 -3.606 387 1HB LYS 53 2HB LYS 53 10.413 -7.180 -2.595 388 2HB LYS 53 1HB LYS 53 9.028 -6.786 -1.595 389 1HG LYS 53 2HG LYS 53 9.182 -9.116 -0.542 390 2HG LYS 53 1HG LYS 53 10.683 -9.371 -1.384 391 1HD LYS 53 2HD LYS 53 10.097 -7.090 0.588 392 2HD LYS 53 1HD LYS 53 10.958 -8.558 1.011 393 1HE LYS 53 2HE LYS 53 12.759 -7.989 -0.600 394 2HE LYS 53 1HE LYS 53 11.893 -6.524 -1.065 395 1HZ LYS 53 3HZ LYS 53 11.991 -6.616 1.752 396 2HZ LYS 53 2HZ LYS 53 13.570 -6.893 1.214 397 3HZ LYS 53 1HZ LYS 53 12.746 -5.483 0.754 398 H VAL 54 H VAL 54 6.389 -7.223 -2.597 399 HA VAL 54 HA VAL 54 5.279 -9.294 -0.826 400 HB VAL 54 HB VAL 54 4.428 -6.508 -1.768 401 1HG1 VAL 54 1HG1 VAL 54 3.016 -8.353 0.258 402 2HG1 VAL 54 3HG1 VAL 54 2.571 -6.687 -0.075 403 3HG1 VAL 54 2HG1 VAL 54 2.361 -7.911 -1.309 404 1HG2 VAL 54 1HG2 VAL 54 5.283 -7.614 0.947 405 2HG2 VAL 54 3HG2 VAL 54 6.265 -6.627 -0.126 406 3HG2 VAL 54 2HG2 VAL 54 4.835 -5.946 0.617 407 H CYS 55 H CYS 55 4.334 -7.863 -3.904 408 HA CYS 55 HA CYS 55 2.334 -10.063 -4.285 409 1HB CYS 55 2HB CYS 55 2.769 -7.396 -5.567 410 2HB CYS 55 1HB CYS 55 1.548 -8.543 -6.110 411 H ALA 56 H ALA 56 5.408 -9.513 -5.309 412 HA ALA 56 HA ALA 56 5.258 -11.457 -7.605 413 1HB ALA 56 2HB ALA 56 5.914 -9.045 -8.256 414 2HB ALA 56 1HB ALA 56 7.245 -9.192 -7.127 415 3HB ALA 56 3HB ALA 56 7.225 -10.212 -8.522 416 HA PRO 57 HA PRO 57 8.155 -13.131 -4.325 417 1HB PRO 57 2HB PRO 57 6.667 -14.968 -3.035 418 2HB PRO 57 1HB PRO 57 6.430 -13.245 -2.677 419 1HG PRO 57 2HG PRO 57 4.907 -14.902 -4.781 420 2HG PRO 57 1HG PRO 57 4.195 -14.081 -3.380 421 1HD PRO 57 2HD PRO 57 4.291 -12.790 -5.756 422 2HD PRO 57 1HD PRO 57 4.706 -11.903 -4.261 423 H VAL 58 HN VAL 58 9.073 -15.291 -4.176 424 HA VAL 58 HA VAL 58 8.618 -17.145 -6.422 425 HB VAL 58 HB VAL 58 11.298 -16.034 -5.466 426 1HG1 VAL 58 3HG1 VAL 58 10.609 -17.803 -7.850 427 2HG1 VAL 58 2HG1 VAL 58 12.229 -17.200 -7.498 428 3HG1 VAL 58 1HG1 VAL 58 11.431 -18.309 -6.390 429 1HG2 VAL 58 3HG2 VAL 58 9.789 -15.441 -8.064 430 2HG2 VAL 58 2HG2 VAL 58 10.047 -14.292 -6.769 431 3HG2 VAL 58 1HG2 VAL 58 11.414 -14.859 -7.715 No H/Q in entry = 431 Start of MODEL 16 1 1H GLU 1 2H GLU 1 -7.916 -14.362 -3.583 2 2H GLU 1 1H GLU 1 -8.653 -15.889 -3.670 3 3H GLU 1 3H GLU 1 -9.538 -14.526 -4.052 4 HA GLU 1 HA GLU 1 -10.154 -14.177 -1.970 5 1HB GLU 1 2HB GLU 1 -8.587 -16.826 -1.559 6 2HB GLU 1 1HB GLU 1 -9.738 -16.204 -0.397 7 1HG GLU 1 2HG GLU 1 -10.643 -18.030 -2.169 8 2HG GLU 1 1HG GLU 1 -11.685 -16.653 -1.949 9 H THR 2 H THR 2 -9.290 -12.902 -0.081 10 HA THR 2 HA THR 2 -7.600 -11.425 0.772 11 HB THR 2 HB THR 2 -5.654 -12.856 1.884 12 HG1 THR 2 HG1 THR 2 -6.116 -14.464 0.084 13 1HG2 THR 2 2HG2 THR 2 -8.433 -14.070 2.225 14 2HG2 THR 2 1HG2 THR 2 -7.093 -14.134 3.348 15 3HG2 THR 2 3HG2 THR 2 -7.931 -12.611 3.083 16 H ASP 3 H ASP 3 -7.594 -11.451 -1.718 17 HA ASP 3 HA ASP 3 -5.101 -11.798 -3.090 18 1HB ASP 3 2HB ASP 3 -7.466 -10.100 -3.967 19 2HB ASP 3 1HB ASP 3 -6.295 -11.027 -4.916 20 H ILE 4 H ILE 4 -4.219 -10.384 -1.144 21 HA ILE 4 HA ILE 4 -4.308 -7.595 -1.119 22 HB ILE 4 HB ILE 4 -2.230 -7.545 0.021 23 1HG1 ILE 4 2HG1 ILE 4 -0.762 -9.844 -0.094 24 2HG1 ILE 4 1HG1 ILE 4 -1.399 -9.839 -1.723 25 1HG2 ILE 4 2HG2 ILE 4 -3.884 -8.829 1.290 26 2HG2 ILE 4 1HG2 ILE 4 -3.358 -10.334 0.545 27 3HG2 ILE 4 3HG2 ILE 4 -2.277 -9.451 1.600 28 1HD1 ILE 4 3HD1 ILE 4 -0.574 -7.443 -2.006 29 2HD1 ILE 4 2HD1 ILE 4 0.036 -7.489 -0.367 30 3HD1 ILE 4 1HD1 ILE 4 0.734 -8.531 -1.591 31 H CYS 5 H CYS 5 -2.916 -9.506 -3.467 32 HA CYS 5 HA CYS 5 -1.381 -7.439 -4.917 33 1HB CYS 5 2HB CYS 5 -2.054 -10.294 -5.593 34 2HB CYS 5 1HB CYS 5 -0.992 -9.287 -6.533 35 H LYS 6 H LYS 6 -4.538 -8.324 -4.911 36 HA LYS 6 HA LYS 6 -5.144 -7.277 -7.654 37 1HB LYS 6 2HB LYS 6 -6.550 -9.299 -5.887 38 2HB LYS 6 1HB LYS 6 -7.284 -8.685 -7.358 39 1HG LYS 6 2HG LYS 6 -5.531 -9.666 -8.765 40 2HG LYS 6 1HG LYS 6 -4.550 -10.055 -7.382 41 1HD LYS 6 2HD LYS 6 -5.731 -12.045 -8.429 42 2HD LYS 6 1HD LYS 6 -5.972 -11.920 -6.724 43 1HE LYS 6 2HE LYS 6 -8.008 -10.897 -8.742 44 2HE LYS 6 1HE LYS 6 -8.004 -12.558 -8.139 45 1HZ LYS 6 2HZ LYS 6 -7.671 -10.856 -5.958 46 2HZ LYS 6 1HZ LYS 6 -9.041 -10.278 -6.747 47 3HZ LYS 6 3HZ LYS 6 -8.892 -11.896 -6.194 48 H LEU 7 H LEU 7 -4.769 -5.755 -5.210 49 HA LEU 7 HA LEU 7 -7.427 -4.789 -4.657 50 1HB LEU 7 2HB LEU 7 -4.813 -3.929 -3.391 51 2HB LEU 7 1HB LEU 7 -6.417 -3.553 -2.822 52 HG LEU 7 HG LEU 7 -5.230 -6.349 -2.878 53 1HD1 LEU 7 3HD1 LEU 7 -5.862 -4.377 -0.626 54 2HD1 LEU 7 2HD1 LEU 7 -5.279 -5.997 -0.370 55 3HD1 LEU 7 1HD1 LEU 7 -4.255 -4.817 -1.171 56 1HD2 LEU 7 2HD2 LEU 7 -7.868 -5.290 -1.731 57 2HD2 LEU 7 1HD2 LEU 7 -7.726 -6.320 -3.148 58 3HD2 LEU 7 3HD2 LEU 7 -7.267 -6.934 -1.580 59 HA PRO 8 HA PRO 8 -6.904 -1.844 -8.008 60 1HB PRO 8 2HB PRO 8 -8.956 -0.097 -7.162 61 2HB PRO 8 1HB PRO 8 -9.178 -1.554 -8.143 62 1HG PRO 8 2HG PRO 8 -9.331 -1.203 -5.106 63 2HG PRO 8 1HG PRO 8 -10.501 -1.994 -6.157 64 1HD PRO 8 2HD PRO 8 -8.798 -3.434 -4.799 65 2HD PRO 8 1HD PRO 8 -8.993 -3.888 -6.514 66 H LYS 9 H LYS 9 -7.360 0.502 -8.255 67 HA LYS 9 HA LYS 9 -5.055 2.016 -7.095 68 1HB LYS 9 2HB LYS 9 -6.844 2.515 -9.555 69 2HB LYS 9 1HB LYS 9 -5.484 3.523 -9.130 70 1HG LYS 9 2HG LYS 9 -3.917 1.653 -9.450 71 2HG LYS 9 1HG LYS 9 -5.246 0.537 -9.721 72 1HD LYS 9 2HD LYS 9 -5.887 1.752 -11.821 73 2HD LYS 9 1HD LYS 9 -4.697 2.988 -11.495 74 1HE LYS 9 2HE LYS 9 -3.855 1.506 -13.262 75 2HE LYS 9 1HE LYS 9 -2.856 1.351 -11.837 76 1HZ LYS 9 1HZ LYS 9 -4.898 -0.638 -11.586 77 2HZ LYS 9 3HZ LYS 9 -4.099 -0.799 -13.113 78 3HZ LYS 9 2HZ LYS 9 -3.314 -0.783 -11.775 79 H ASP 10 H ASP 10 -6.353 2.211 -5.082 80 HA ASP 10 HA ASP 10 -8.655 4.061 -5.194 81 1HB ASP 10 2HB ASP 10 -7.706 3.122 -2.555 82 2HB ASP 10 1HB ASP 10 -9.316 3.126 -3.191 83 H GLU 11 H GLU 11 -8.936 5.515 -3.436 84 HA GLU 11 HA GLU 11 -6.614 7.034 -2.478 85 1HB GLU 11 2HB GLU 11 -7.767 9.241 -3.615 86 2HB GLU 11 1HB GLU 11 -7.235 8.073 -4.784 87 1HG GLU 11 2HG GLU 11 -9.350 8.347 -5.612 88 2HG GLU 11 1HG GLU 11 -9.823 7.164 -4.429 89 H GLY 12 H GLY 12 -10.030 7.808 -2.384 90 1HA GLY 12 2HA GLY 12 -11.497 7.800 -0.432 91 2HA GLY 12 1HA GLY 12 -10.078 7.790 0.621 92 H THR 13 H THR 13 -10.136 9.786 -2.045 93 HA THR 13 HA THR 13 -9.872 12.056 -2.401 94 HB THR 13 HB THR 13 -11.830 13.417 -1.861 95 HG1 THR 13 HG1 THR 13 -12.233 11.355 0.024 96 1HG2 THR 13 3HG2 THR 13 -12.761 10.490 -1.737 97 2HG2 THR 13 2HG2 THR 13 -13.736 11.865 -2.216 98 3HG2 THR 13 1HG2 THR 13 -12.394 11.325 -3.212 99 H CYS 14 H CYS 14 -8.611 10.929 0.014 100 HA CYS 14 HA CYS 14 -8.168 11.968 2.321 101 1HB CYS 14 2HB CYS 14 -6.203 11.610 0.116 102 2HB CYS 14 1HB CYS 14 -5.652 12.124 1.687 103 H ARG 15 H ARG 15 -7.160 13.969 -0.224 104 HA ARG 15 HA ARG 15 -7.332 16.482 -0.396 105 1HB ARG 15 2HB ARG 15 -7.084 16.409 2.680 106 2HB ARG 15 1HB ARG 15 -6.880 17.843 1.737 107 1HG ARG 15 2HG ARG 15 -9.201 18.014 2.369 108 2HG ARG 15 1HG ARG 15 -9.303 17.394 0.729 109 1HD ARG 15 2HD ARG 15 -9.286 15.153 1.636 110 2HD ARG 15 1HD ARG 15 -9.376 15.733 3.287 111 HE ARG 15 HE ARG 15 -11.750 16.652 2.383 112 1HH1 ARG 15 2HH1 ARG 15 -12.561 15.890 0.056 113 2HH1 ARG 15 1HH1 ARG 15 -12.609 14.130 0.065 114 1HH2 ARG 15 1HH2 ARG 15 -10.878 13.721 2.790 115 2HH2 ARG 15 2HH2 ARG 15 -11.738 12.996 1.451 116 H ASP 16 H ASP 16 -5.044 14.714 1.600 117 HA ASP 16 HA ASP 16 -2.784 16.362 0.665 118 1HB ASP 16 2HB ASP 16 -1.598 15.068 2.547 119 2HB ASP 16 1HB ASP 16 -3.112 15.727 3.172 120 H PHE 17 H PHE 17 -4.217 14.238 -0.735 121 HA PHE 17 HA PHE 17 -3.404 11.961 -1.656 122 1HB PHE 17 2HB PHE 17 -3.154 14.334 -3.441 123 2HB PHE 17 1HB PHE 17 -3.329 12.702 -4.045 124 HD1 PHE 17 HD1 PHE 17 -4.995 15.495 -2.442 125 HD2 PHE 17 HD2 PHE 17 -5.471 11.487 -3.777 126 HE1 PHE 17 HE1 PHE 17 -7.452 15.735 -2.295 127 HE2 PHE 17 HE2 PHE 17 -7.916 11.713 -3.628 128 HZ PHE 17 HZ PHE 17 -8.901 13.849 -2.883 129 H ILE 18 H ILE 18 -1.488 11.206 -0.859 130 HA ILE 18 HA ILE 18 1.029 12.312 -2.055 131 HB ILE 18 HB ILE 18 2.247 10.862 -0.374 132 1HG1 ILE 18 2HG1 ILE 18 0.675 9.598 1.320 133 2HG1 ILE 18 1HG1 ILE 18 -0.434 9.558 -0.023 134 1HG2 ILE 18 1HG2 ILE 18 1.354 13.001 0.476 135 2HG2 ILE 18 3HG2 ILE 18 -0.131 12.224 0.949 136 3HG2 ILE 18 2HG2 ILE 18 1.367 11.781 1.727 137 1HD1 ILE 18 2HD1 ILE 18 2.412 8.493 -0.146 138 2HD1 ILE 18 1HD1 ILE 18 0.965 7.518 0.039 139 3HD1 ILE 18 3HD1 ILE 18 1.251 8.386 -1.452 140 H LEU 19 H LEU 19 2.447 11.058 -3.293 141 HA LEU 19 HA LEU 19 1.067 9.057 -4.898 142 1HB LEU 19 2HB LEU 19 2.896 11.230 -5.321 143 2HB LEU 19 1HB LEU 19 3.912 9.853 -5.555 144 HG LEU 19 HG LEU 19 1.477 10.766 -7.216 145 1HD1 LEU 19 1HD1 LEU 19 4.328 10.152 -7.994 146 2HD1 LEU 19 3HD1 LEU 19 3.041 10.678 -9.066 147 3HD1 LEU 19 2HD1 LEU 19 3.604 11.740 -7.795 148 1HD2 LEU 19 2HD2 LEU 19 1.371 8.206 -6.960 149 2HD2 LEU 19 1HD2 LEU 19 1.724 8.706 -8.594 150 3HD2 LEU 19 3HD2 LEU 19 3.013 8.126 -7.551 151 H LYS 20 H LYS 20 1.290 7.041 -4.673 152 HA LYS 20 HA LYS 20 3.789 5.869 -3.468 153 1HB LYS 20 2HB LYS 20 1.798 6.198 -1.829 154 2HB LYS 20 1HB LYS 20 0.864 5.118 -2.810 155 1HG LYS 20 2HG LYS 20 1.484 3.829 -0.918 156 2HG LYS 20 1HG LYS 20 2.517 3.257 -2.196 157 1HD LYS 20 2HD LYS 20 4.501 4.527 -1.204 158 2HD LYS 20 1HD LYS 20 3.445 5.316 -0.078 159 1HE LYS 20 2HE LYS 20 3.262 3.493 1.382 160 2HE LYS 20 1HE LYS 20 3.352 2.341 0.093 161 1HZ LYS 20 1HZ LYS 20 5.931 3.448 0.224 162 2HZ LYS 20 3HZ LYS 20 5.490 3.111 1.819 163 3HZ LYS 20 2HZ LYS 20 5.504 1.911 0.701 164 H TRP 21 H TRP 21 3.644 3.316 -4.060 165 HA TRP 21 HA TRP 21 2.840 3.045 -6.916 166 1HB TRP 21 2HB TRP 21 4.908 1.514 -5.244 167 2HB TRP 21 1HB TRP 21 4.521 1.113 -6.887 168 HD1 TRP 21 HD1 TRP 21 6.392 3.841 -4.823 169 HE1 TRP 21 HE1 TRP 21 7.978 4.937 -6.464 170 HE3 TRP 21 HE3 TRP 21 4.985 1.563 -9.030 171 HZ2 TRP 21 HZ2 TRP 21 8.721 4.785 -9.222 172 HZ3 TRP 21 HZ3 TRP 21 6.131 1.941 -11.180 173 HH2 TRP 21 HH2 TRP 21 8.018 3.531 -11.303 174 H TYR 22 H TYR 22 1.657 1.229 -7.456 175 HA TYR 22 HA TYR 22 0.682 -0.531 -5.248 176 1HB TYR 22 2HB TYR 22 -1.381 0.600 -5.448 177 2HB TYR 22 1HB TYR 22 -0.669 1.697 -6.597 178 HD1 TYR 22 HD1 TYR 22 -0.395 0.837 -9.018 179 HD2 TYR 22 HD2 TYR 22 -2.942 -0.837 -6.100 180 HE1 TYR 22 HE1 TYR 22 -1.685 -0.301 -10.806 181 HE2 TYR 22 HE2 TYR 22 -4.233 -2.002 -7.889 182 HH TYR 22 HH TYR 22 -3.306 -2.584 -10.667 183 H TYR 23 H TYR 23 0.232 -2.632 -6.044 184 HA TYR 23 HA TYR 23 1.790 -3.434 -8.409 185 1HB TYR 23 2HB TYR 23 1.636 -4.756 -6.228 186 2HB TYR 23 1HB TYR 23 -0.020 -5.108 -6.643 187 HD1 TYR 23 HD1 TYR 23 3.355 -5.388 -8.295 188 HD2 TYR 23 HD2 TYR 23 -0.508 -7.060 -7.728 189 HE1 TYR 23 HE1 TYR 23 3.984 -7.361 -9.675 190 HE2 TYR 23 HE2 TYR 23 0.149 -9.007 -9.106 191 HH TYR 23 HH TYR 23 2.569 -10.059 -9.572 192 H ASP 24 H ASP 24 1.068 -3.914 -10.341 193 HA ASP 24 HA ASP 24 -1.862 -4.103 -10.849 194 1HB ASP 24 2HB ASP 24 -0.602 -1.910 -11.064 195 2HB ASP 24 1HB ASP 24 0.098 -2.508 -12.570 196 HA PRO 25 HA PRO 25 -0.240 -7.769 -12.789 197 1HB PRO 25 2HB PRO 25 -2.401 -9.297 -12.806 198 2HB PRO 25 1HB PRO 25 -1.873 -8.590 -11.265 199 1HG PRO 25 2HG PRO 25 -3.822 -7.383 -13.268 200 2HG PRO 25 1HG PRO 25 -4.182 -7.861 -11.593 201 1HD PRO 25 2HD PRO 25 -3.400 -5.242 -12.255 202 2HD PRO 25 1HD PRO 25 -2.899 -5.976 -10.705 203 H ASN 26 H ASN 26 -0.657 -9.017 -14.539 204 HA ASN 26 HA ASN 26 -1.344 -9.655 -16.858 205 1HB ASN 26 2HB ASN 26 -2.966 -7.631 -17.131 206 2HB ASN 26 1HB ASN 26 -1.574 -6.569 -17.243 207 1HD2 ASN 26 2HD2 ASN 26 -2.666 -8.249 -20.555 208 2HD2 ASN 26 1HD2 ASN 26 -3.718 -8.200 -19.210 209 H THR 27 H THR 27 0.255 -6.932 -15.841 210 HA THR 27 HA THR 27 2.757 -7.322 -17.497 211 HB THR 27 HB THR 27 2.012 -4.944 -17.422 212 HG1 THR 27 HG1 THR 27 4.087 -4.560 -17.091 213 1HG2 THR 27 2HG2 THR 27 0.891 -4.975 -15.074 214 2HG2 THR 27 1HG2 THR 27 2.519 -5.051 -14.406 215 3HG2 THR 27 3HG2 THR 27 2.027 -3.679 -15.357 216 H LYS 28 H LYS 28 1.727 -6.885 -14.098 217 HA LYS 28 HA LYS 28 2.270 -8.012 -12.247 218 1HB LYS 28 2HB LYS 28 4.511 -9.470 -13.782 219 2HB LYS 28 1HB LYS 28 3.742 -9.980 -12.317 220 1HG LYS 28 2HG LYS 28 1.740 -10.657 -13.273 221 2HG LYS 28 1HG LYS 28 1.878 -9.678 -14.698 222 1HD LYS 28 2HD LYS 28 3.618 -12.189 -14.085 223 2HD LYS 28 1HD LYS 28 2.321 -12.199 -15.238 224 1HE LYS 28 2HE LYS 28 4.898 -10.567 -15.456 225 2HE LYS 28 1HE LYS 28 4.545 -12.054 -16.309 226 1HZ LYS 28 2HZ LYS 28 2.381 -10.239 -16.762 227 2HZ LYS 28 1HZ LYS 28 3.804 -9.420 -16.978 228 3HZ LYS 28 3HZ LYS 28 3.466 -10.786 -17.911 229 H SER 29 H SER 29 3.075 -5.565 -12.551 230 HA SER 29 HA SER 29 5.527 -5.476 -10.992 231 1HB SER 29 2HB SER 29 6.354 -5.133 -13.314 232 2HB SER 29 1HB SER 29 5.041 -4.024 -13.699 233 HG SER 29 HG SER 29 6.385 -2.506 -13.037 234 H CYS 30 H CYS 30 5.380 -2.457 -11.245 235 HA CYS 30 HA CYS 30 2.799 -1.983 -9.808 236 1HB CYS 30 2HB CYS 30 5.327 -0.519 -9.425 237 2HB CYS 30 1HB CYS 30 3.933 -0.453 -8.363 238 H ALA 31 H ALA 31 2.004 0.023 -9.831 239 HA ALA 31 HA ALA 31 2.750 1.902 -12.024 240 1HB ALA 31 2HB ALA 31 0.674 0.496 -12.610 241 2HB ALA 31 1HB ALA 31 -0.069 1.055 -11.127 242 3HB ALA 31 3HB ALA 31 0.275 2.197 -12.415 243 H ARG 32 H ARG 32 1.817 4.058 -11.308 244 HA ARG 32 HA ARG 32 2.042 4.332 -8.374 245 1HB ARG 32 2HB ARG 32 3.336 5.556 -10.603 246 2HB ARG 32 1HB ARG 32 2.541 6.844 -9.699 247 1HG ARG 32 2HG ARG 32 3.647 6.121 -7.587 248 2HG ARG 32 1HG ARG 32 4.296 4.705 -8.359 249 1HD ARG 32 2HD ARG 32 5.109 7.566 -9.022 250 2HD ARG 32 1HD ARG 32 6.018 6.396 -8.068 251 HE ARG 32 HE ARG 32 5.924 4.839 -10.116 252 1HH1 ARG 32 2HH1 ARG 32 4.303 7.128 -11.187 253 2HH1 ARG 32 1HH1 ARG 32 5.268 7.652 -12.540 254 1HH2 ARG 32 1HH2 ARG 32 7.822 5.712 -11.165 255 2HH2 ARG 32 2HH2 ARG 32 7.482 6.744 -12.518 256 H PHE 33 H PHE 33 0.739 5.651 -7.187 257 HA PHE 33 HA PHE 33 -1.536 6.959 -8.604 258 1HB PHE 33 2HB PHE 33 -3.239 5.542 -7.596 259 2HB PHE 33 1HB PHE 33 -1.978 4.454 -8.094 260 HD1 PHE 33 HD2 PHE 33 -0.093 4.051 -6.151 261 HD2 PHE 33 HD1 PHE 33 -4.156 5.138 -5.558 262 HE1 PHE 33 HE2 PHE 33 -0.035 3.070 -3.895 263 HE2 PHE 33 HE1 PHE 33 -4.106 4.171 -3.325 264 HZ PHE 33 HZ PHE 33 -2.042 3.131 -2.476 265 H TRP 34 H TRP 34 -2.793 8.323 -7.458 266 HA TRP 34 HA TRP 34 -1.459 9.867 -5.309 267 1HB TRP 34 2HB TRP 34 -3.764 10.401 -7.321 268 2HB TRP 34 1HB TRP 34 -3.619 11.450 -5.991 269 HD1 TRP 34 HD1 TRP 34 -3.103 11.518 -9.208 270 HE1 TRP 34 HE1 TRP 34 -1.195 13.150 -9.857 271 HE3 TRP 34 HE3 TRP 34 -0.688 11.965 -4.787 272 HZ2 TRP 34 HZ2 TRP 34 0.976 14.466 -8.735 273 HZ3 TRP 34 HZ3 TRP 34 1.275 13.411 -4.588 274 HH2 TRP 34 HH2 TRP 34 2.131 14.665 -6.540 275 H TYR 35 H TYR 35 -1.993 8.852 -3.282 276 HA TYR 35 HA TYR 35 -4.963 8.624 -2.766 277 1HB TYR 35 2HB TYR 35 -4.676 6.404 -2.397 278 2HB TYR 35 1HB TYR 35 -3.065 6.554 -2.999 279 HD1 TYR 35 HD1 TYR 35 -5.093 6.662 0.119 280 HD2 TYR 35 HD2 TYR 35 -1.224 6.236 -1.610 281 HE1 TYR 35 HE1 TYR 35 -4.160 5.983 2.311 282 HE2 TYR 35 HE2 TYR 35 -0.327 5.571 0.599 283 HH TYR 35 HH TYR 35 -1.463 6.310 3.080 284 H GLY 36 H GLY 36 -2.142 8.565 -0.529 285 1HA GLY 36 2HA GLY 36 -1.840 10.584 1.084 286 2HA GLY 36 1HA GLY 36 -3.579 10.670 1.152 287 H GLY 37 H GLY 37 -4.445 9.777 2.866 288 1HA GLY 37 2HA GLY 37 -3.344 7.263 4.078 289 2HA GLY 37 1HA GLY 37 -3.373 8.677 5.114 290 H CYS 38 H CYS 38 -5.871 7.908 2.823 291 HA CYS 38 HA CYS 38 -7.728 7.263 5.093 292 1HB CYS 38 2HB CYS 38 -8.855 8.678 2.731 293 2HB CYS 38 1HB CYS 38 -9.081 8.961 4.446 294 H GLY 39 H GLY 39 -8.119 7.077 1.557 295 1HA GLY 39 2HA GLY 39 -9.359 4.340 1.928 296 2HA GLY 39 1HA GLY 39 -9.880 5.481 0.706 297 H GLY 40 H GLY 40 -6.947 3.950 1.731 298 1HA GLY 40 2HA GLY 40 -6.296 3.191 -1.128 299 2HA GLY 40 1HA GLY 40 -5.059 3.815 -0.066 300 H ASN 41 H ASN 41 -6.911 1.010 -0.930 301 HA ASN 41 HA ASN 41 -6.557 -0.848 1.049 302 1HB ASN 41 2HB ASN 41 -6.661 -2.493 -0.800 303 2HB ASN 41 1HB ASN 41 -7.595 -1.097 -1.276 304 1HD2 ASN 41 2HD2 ASN 41 -5.583 -0.704 -4.120 305 2HD2 ASN 41 1HD2 ASN 41 -7.096 -0.458 -3.419 306 H GLU 42 H GLU 42 -4.981 -2.969 0.834 307 HA GLU 42 HA GLU 42 -2.372 -1.944 1.669 308 1HB GLU 42 2HB GLU 42 -3.414 -4.780 1.507 309 2HB GLU 42 1HB GLU 42 -1.990 -4.240 2.383 310 1HG GLU 42 2HG GLU 42 -4.917 -3.662 3.058 311 2HG GLU 42 1HG GLU 42 -3.599 -4.091 4.126 312 H ASN 43 H ASN 43 -3.035 -1.950 -1.237 313 HA ASN 43 HA ASN 43 -0.500 -3.223 -2.230 314 1HB ASN 43 2HB ASN 43 -2.747 -3.927 -3.109 315 2HB ASN 43 1HB ASN 43 -3.046 -2.289 -3.695 316 1HD2 ASN 43 2HD2 ASN 43 -1.798 -3.414 -6.714 317 2HD2 ASN 43 1HD2 ASN 43 -3.168 -2.941 -5.837 318 H LYS 44 H LYS 44 -0.047 -1.413 -0.747 319 HA LYS 44 HA LYS 44 0.401 1.229 -2.100 320 1HB LYS 44 2HB LYS 44 0.094 2.281 0.086 321 2HB LYS 44 1HB LYS 44 -1.323 1.463 -0.538 322 1HG LYS 44 2HG LYS 44 -1.256 -0.264 0.961 323 2HG LYS 44 1HG LYS 44 0.466 -0.209 1.214 324 1HD LYS 44 2HD LYS 44 -0.201 0.748 3.151 325 2HD LYS 44 1HD LYS 44 -0.024 2.178 2.151 326 1HE LYS 44 2HE LYS 44 -2.111 2.341 3.509 327 2HE LYS 44 1HE LYS 44 -2.457 2.319 1.784 328 1HZ LYS 44 1HZ LYS 44 -2.353 -0.372 2.684 329 2HZ LYS 44 3HZ LYS 44 -3.349 0.332 3.709 330 3HZ LYS 44 2HZ LYS 44 -3.665 0.479 2.095 331 H PHE 45 H PHE 45 2.488 0.989 -2.771 332 HA PHE 45 HA PHE 45 4.611 0.475 -0.752 333 1HB PHE 45 2HB PHE 45 4.478 -0.148 -3.706 334 2HB PHE 45 1HB PHE 45 5.798 -0.571 -2.651 335 HD1 PHE 45 HD2 PHE 45 4.889 -1.754 -0.324 336 HD2 PHE 45 HD1 PHE 45 2.811 -1.729 -4.034 337 HE1 PHE 45 HE2 PHE 45 3.598 -3.686 0.397 338 HE2 PHE 45 HE1 PHE 45 1.500 -3.689 -3.307 339 HZ PHE 45 HZ PHE 45 1.903 -4.675 -1.080 340 H GLY 46 H GLY 46 6.595 1.576 -0.879 341 1HA GLY 46 2HA GLY 46 6.596 4.427 -1.714 342 2HA GLY 46 1HA GLY 46 7.923 3.583 -0.894 343 H SER 47 H SER 47 7.985 1.494 -2.826 344 HA SER 47 HA SER 47 8.795 2.761 -5.350 345 1HB SER 47 2HB SER 47 10.715 1.348 -3.509 346 2HB SER 47 1HB SER 47 11.033 1.555 -5.255 347 HG SER 47 HG SER 47 10.089 3.811 -3.860 348 H GLN 48 H GLN 48 8.894 1.314 -7.109 349 HA GLN 48 HA GLN 48 7.042 -0.689 -7.220 350 1HB GLN 48 2HB GLN 48 8.308 0.163 -9.248 351 2HB GLN 48 1HB GLN 48 9.769 -0.634 -8.678 352 1HG GLN 48 2HG GLN 48 7.787 -2.755 -8.712 353 2HG GLN 48 1HG GLN 48 7.478 -1.822 -10.143 354 1HE2 GLN 48 2HE2 GLN 48 9.879 -3.786 -11.673 355 2HE2 GLN 48 1HE2 GLN 48 8.245 -3.298 -11.642 356 H LYS 49 H LYS 49 10.312 -1.189 -6.418 357 HA LYS 49 HA LYS 49 10.226 -3.970 -6.086 358 1HB LYS 49 2HB LYS 49 11.871 -1.809 -4.603 359 2HB LYS 49 1HB LYS 49 12.207 -3.512 -4.359 360 1HG LYS 49 2HG LYS 49 12.160 -2.213 -7.141 361 2HG LYS 49 1HG LYS 49 13.632 -2.433 -6.208 362 1HD LYS 49 2HD LYS 49 13.438 -4.853 -6.260 363 2HD LYS 49 1HD LYS 49 11.779 -4.840 -6.777 364 1HE LYS 49 2HE LYS 49 12.469 -3.822 -8.938 365 2HE LYS 49 1HE LYS 49 14.154 -4.038 -8.448 366 1HZ LYS 49 1HZ LYS 49 12.642 -6.410 -7.877 367 2HZ LYS 49 3HZ LYS 49 12.310 -6.022 -9.390 368 3HZ LYS 49 2HZ LYS 49 13.917 -6.310 -8.968 369 H GLU 50 H GLU 50 9.097 -1.683 -3.648 370 HA GLU 50 HA GLU 50 8.753 -3.523 -1.561 371 1HB GLU 50 2HB GLU 50 7.709 -0.973 -2.390 372 2HB GLU 50 1HB GLU 50 6.599 -1.958 -1.408 373 1HG GLU 50 2HG GLU 50 8.017 -1.842 0.514 374 2HG GLU 50 1HG GLU 50 9.346 -1.130 -0.396 375 H CYS 51 H CYS 51 6.430 -2.493 -4.047 376 HA CYS 51 HA CYS 51 4.379 -4.419 -3.478 377 1HB CYS 51 2HB CYS 51 4.706 -4.146 -6.412 378 2HB CYS 51 1HB CYS 51 3.364 -3.721 -5.412 379 H GLU 52 H GLU 52 7.001 -4.541 -5.821 380 HA GLU 52 HA GLU 52 6.688 -7.131 -6.779 381 1HB GLU 52 2HB GLU 52 8.460 -5.406 -7.488 382 2HB GLU 52 1HB GLU 52 9.389 -5.882 -6.079 383 1HG GLU 52 2HG GLU 52 8.955 -8.417 -7.187 384 2HG GLU 52 1HG GLU 52 8.806 -7.440 -8.600 385 H LYS 53 H LYS 53 8.316 -6.213 -3.843 386 HA LYS 53 HA LYS 53 8.778 -9.063 -3.268 387 1HB LYS 53 2HB LYS 53 9.530 -6.323 -2.080 388 2HB LYS 53 1HB LYS 53 9.918 -7.719 -1.119 389 1HG LYS 53 2HG LYS 53 10.849 -7.144 -4.026 390 2HG LYS 53 1HG LYS 53 11.853 -7.062 -2.606 391 1HD LYS 53 2HD LYS 53 12.339 -9.284 -2.721 392 2HD LYS 53 1HD LYS 53 10.671 -9.712 -2.533 393 1HE LYS 53 2HE LYS 53 12.214 -9.319 -5.127 394 2HE LYS 53 1HE LYS 53 11.444 -10.793 -4.550 395 1HZ LYS 53 2HZ LYS 53 9.607 -8.610 -4.680 396 2HZ LYS 53 1HZ LYS 53 10.315 -8.816 -6.140 397 3HZ LYS 53 3HZ LYS 53 9.427 -10.094 -5.426 398 H VAL 54 H VAL 54 6.538 -6.757 -2.044 399 HA VAL 54 HA VAL 54 5.684 -8.451 0.176 400 HB VAL 54 HB VAL 54 4.608 -5.982 -1.255 401 1HG1 VAL 54 3HG1 VAL 54 3.695 -7.247 1.404 402 2HG1 VAL 54 2HG1 VAL 54 3.086 -5.733 0.767 403 3HG1 VAL 54 1HG1 VAL 54 2.737 -7.235 -0.065 404 1HG2 VAL 54 1HG2 VAL 54 5.994 -6.334 1.451 405 2HG2 VAL 54 3HG2 VAL 54 6.717 -5.647 0.009 406 3HG2 VAL 54 2HG2 VAL 54 5.415 -4.807 0.812 407 H CYS 55 H CYS 55 4.910 -8.021 -3.142 408 HA CYS 55 HA CYS 55 2.785 -10.120 -3.064 409 1HB CYS 55 2HB CYS 55 1.891 -8.013 -3.783 410 2HB CYS 55 1HB CYS 55 3.188 -7.770 -4.936 411 H ALA 56 H ALA 56 5.581 -9.172 -5.137 412 HA ALA 56 HA ALA 56 5.178 -11.638 -6.716 413 1HB ALA 56 1HB ALA 56 5.692 -9.635 -7.900 414 2HB ALA 56 3HB ALA 56 7.231 -9.486 -7.085 415 3HB ALA 56 2HB ALA 56 6.968 -10.838 -8.126 416 HA PRO 57 HA PRO 57 8.463 -13.707 -4.324 417 1HB PRO 57 2HB PRO 57 7.179 -15.950 -3.766 418 2HB PRO 57 1HB PRO 57 6.404 -14.428 -3.272 419 1HG PRO 57 2HG PRO 57 5.870 -16.052 -5.822 420 2HG PRO 57 1HG PRO 57 4.680 -15.447 -4.664 421 1HD PRO 57 2HD PRO 57 5.501 -14.051 -7.018 422 2HD PRO 57 1HD PRO 57 4.668 -13.333 -5.634 423 H VAL 58 HN VAL 58 9.566 -15.991 -4.575 424 HA VAL 58 HA VAL 58 9.876 -16.908 -7.346 425 HB VAL 58 HB VAL 58 12.134 -16.119 -5.438 426 1HG1 VAL 58 2HG1 VAL 58 12.202 -17.026 -8.349 427 2HG1 VAL 58 1HG1 VAL 58 13.626 -16.542 -7.429 428 3HG1 VAL 58 3HG1 VAL 58 12.705 -17.964 -6.962 429 1HG2 VAL 58 2HG2 VAL 58 11.233 -14.764 -8.033 430 2HG2 VAL 58 1HG2 VAL 58 11.043 -14.075 -6.434 431 3HG2 VAL 58 3HG2 VAL 58 12.655 -14.281 -7.114 No H/Q in entry = 431 Start of MODEL 17 1 1H GLU 1 3H GLU 1 -8.357 -13.852 -2.289 2 2H GLU 1 2H GLU 1 -9.659 -14.935 -2.273 3 3H GLU 1 1H GLU 1 -9.918 -13.339 -2.667 4 HA GLU 1 HA GLU 1 -10.327 -12.804 -0.584 5 1HB GLU 1 2HB GLU 1 -9.597 -15.748 -0.008 6 2HB GLU 1 1HB GLU 1 -10.411 -14.718 1.144 7 1HG GLU 1 2HG GLU 1 -11.862 -16.383 -0.541 8 2HG GLU 1 1HG GLU 1 -12.550 -14.854 -0.069 9 H THR 2 H THR 2 -9.135 -11.608 0.979 10 HA THR 2 HA THR 2 -7.182 -10.615 1.839 11 HB THR 2 HB THR 2 -5.840 -12.395 3.340 12 HG1 THR 2 HG1 THR 2 -6.680 -14.033 1.723 13 1HG2 THR 2 1HG2 THR 2 -7.985 -11.251 4.235 14 2HG2 THR 2 3HG2 THR 2 -8.883 -12.593 3.523 15 3HG2 THR 2 2HG2 THR 2 -7.718 -12.897 4.790 16 H ASP 3 H ASP 3 -6.972 -11.167 -0.612 17 HA ASP 3 HA ASP 3 -4.090 -11.592 -1.207 18 1HB ASP 3 2HB ASP 3 -5.073 -12.351 -3.483 19 2HB ASP 3 1HB ASP 3 -5.411 -13.391 -2.128 20 H ILE 4 H ILE 4 -4.158 -9.444 -0.429 21 HA ILE 4 HA ILE 4 -5.133 -7.016 -1.209 22 HB ILE 4 HB ILE 4 -2.989 -6.061 -0.678 23 1HG1 ILE 4 2HG1 ILE 4 -1.891 -8.937 -0.707 24 2HG1 ILE 4 1HG1 ILE 4 -1.498 -7.717 -1.901 25 1HG2 ILE 4 2HG2 ILE 4 -4.442 -6.910 1.159 26 2HG2 ILE 4 1HG2 ILE 4 -3.681 -8.485 1.105 27 3HG2 ILE 4 3HG2 ILE 4 -2.781 -7.084 1.624 28 1HD1 ILE 4 3HD1 ILE 4 -0.484 -6.275 -0.149 29 2HD1 ILE 4 2HD1 ILE 4 -0.841 -7.485 1.073 30 3HD1 ILE 4 1HD1 ILE 4 0.279 -7.854 -0.216 31 H CYS 5 H CYS 5 -3.090 -8.930 -3.029 32 HA CYS 5 HA CYS 5 -2.431 -7.039 -5.164 33 1HB CYS 5 2HB CYS 5 -2.271 -10.055 -5.030 34 2HB CYS 5 1HB CYS 5 -1.378 -9.043 -6.161 35 H LYS 6 H LYS 6 -5.202 -7.785 -4.439 36 HA LYS 6 HA LYS 6 -6.439 -8.153 -7.153 37 1HB LYS 6 2HB LYS 6 -7.592 -8.819 -4.408 38 2HB LYS 6 1HB LYS 6 -8.477 -9.002 -5.890 39 1HG LYS 6 2HG LYS 6 -5.957 -10.587 -5.220 40 2HG LYS 6 1HG LYS 6 -7.563 -10.988 -4.734 41 1HD LYS 6 2HD LYS 6 -7.140 -12.321 -6.680 42 2HD LYS 6 1HD LYS 6 -8.426 -11.193 -6.976 43 1HE LYS 6 2HE LYS 6 -6.910 -11.382 -8.915 44 2HE LYS 6 1HE LYS 6 -6.953 -9.742 -8.282 45 1HZ LYS 6 1HZ LYS 6 -5.121 -11.187 -6.764 46 2HZ LYS 6 3HZ LYS 6 -4.688 -11.515 -8.371 47 3HZ LYS 6 2HZ LYS 6 -4.745 -9.917 -7.781 48 H LEU 7 H LEU 7 -5.852 -5.892 -4.773 49 HA LEU 7 HA LEU 7 -8.355 -4.539 -5.062 50 1HB LEU 7 2HB LEU 7 -5.849 -3.723 -3.551 51 2HB LEU 7 1HB LEU 7 -7.423 -3.012 -3.328 52 HG LEU 7 HG LEU 7 -6.634 -5.903 -2.637 53 1HD1 LEU 7 2HD1 LEU 7 -7.391 -3.502 -0.926 54 2HD1 LEU 7 1HD1 LEU 7 -7.020 -5.101 -0.329 55 3HD1 LEU 7 3HD1 LEU 7 -5.780 -4.150 -1.104 56 1HD2 LEU 7 3HD2 LEU 7 -9.273 -4.406 -2.220 57 2HD2 LEU 7 2HD2 LEU 7 -9.050 -5.711 -3.381 58 3HD2 LEU 7 1HD2 LEU 7 -8.906 -6.028 -1.663 59 HA PRO 8 HA PRO 8 -6.776 -1.493 -8.115 60 1HB PRO 8 2HB PRO 8 -8.895 0.169 -8.120 61 2HB PRO 8 1HB PRO 8 -9.073 -1.482 -8.723 62 1HG PRO 8 2HG PRO 8 -9.614 -0.505 -5.849 63 2HG PRO 8 1HG PRO 8 -10.785 -1.250 -6.945 64 1HD PRO 8 2HD PRO 8 -9.434 -2.772 -5.180 65 2HD PRO 8 1HD PRO 8 -9.663 -3.406 -6.829 66 H LYS 9 H LYS 9 -7.024 0.951 -8.004 67 HA LYS 9 HA LYS 9 -4.916 2.030 -6.508 68 1HB LYS 9 2HB LYS 9 -7.459 3.328 -7.477 69 2HB LYS 9 1HB LYS 9 -6.344 4.247 -6.482 70 1HG LYS 9 2HG LYS 9 -4.592 4.088 -8.179 71 2HG LYS 9 1HG LYS 9 -5.594 3.051 -9.167 72 1HD LYS 9 2HD LYS 9 -5.682 5.597 -9.813 73 2HD LYS 9 1HD LYS 9 -7.236 4.823 -9.598 74 1HE LYS 9 2HE LYS 9 -7.419 5.822 -7.287 75 2HE LYS 9 1HE LYS 9 -5.864 6.590 -7.496 76 1HZ LYS 9 2HZ LYS 9 -7.478 7.292 -9.762 77 2HZ LYS 9 1HZ LYS 9 -8.377 7.468 -8.326 78 3HZ LYS 9 3HZ LYS 9 -6.994 8.248 -8.407 79 H ASP 10 H ASP 10 -4.501 2.722 -4.458 80 HA ASP 10 HA ASP 10 -6.631 2.356 -2.412 81 1HB ASP 10 2HB ASP 10 -4.272 1.311 -2.214 82 2HB ASP 10 1HB ASP 10 -3.672 2.959 -2.046 83 H GLU 11 H GLU 11 -7.656 4.152 -3.357 84 HA GLU 11 HA GLU 11 -6.695 6.839 -2.327 85 1HB GLU 11 2HB GLU 11 -6.483 6.880 -4.760 86 2HB GLU 11 1HB GLU 11 -8.039 6.122 -5.047 87 1HG GLU 11 2HG GLU 11 -9.108 8.317 -4.375 88 2HG GLU 11 1HG GLU 11 -7.492 8.968 -4.157 89 H GLY 12 H GLY 12 -9.996 6.490 -3.646 90 1HA GLY 12 2HA GLY 12 -12.090 6.460 -2.574 91 2HA GLY 12 1HA GLY 12 -11.316 5.628 -1.255 92 H THR 13 H THR 13 -9.804 7.568 -0.090 93 HA THR 13 HA THR 13 -11.810 9.695 0.617 94 HB THR 13 HB THR 13 -10.101 8.014 2.549 95 HG1 THR 13 HG1 THR 13 -12.505 7.861 1.298 96 1HG2 THR 13 3HG2 THR 13 -12.431 9.934 3.105 97 2HG2 THR 13 2HG2 THR 13 -11.509 8.990 4.254 98 3HG2 THR 13 1HG2 THR 13 -10.756 10.360 3.485 99 H CYS 14 H CYS 14 -11.027 11.398 1.871 100 HA CYS 14 HA CYS 14 -9.888 13.415 2.018 101 1HB CYS 14 2HB CYS 14 -7.602 11.427 2.107 102 2HB CYS 14 1HB CYS 14 -7.496 13.071 2.669 103 H ARG 15 H ARG 15 -7.605 14.475 1.173 104 HA ARG 15 HA ARG 15 -7.507 14.236 -1.841 105 1HB ARG 15 2HB ARG 15 -7.383 17.097 -1.004 106 2HB ARG 15 1HB ARG 15 -8.293 16.327 -2.267 107 1HG ARG 15 2HG ARG 15 -9.934 17.300 -0.839 108 2HG ARG 15 1HG ARG 15 -9.999 15.575 -0.600 109 1HD ARG 15 2HD ARG 15 -9.666 17.527 1.465 110 2HD ARG 15 1HD ARG 15 -9.556 15.799 1.643 111 HE ARG 15 HE ARG 15 -6.999 16.022 1.192 112 1HH1 ARG 15 1HH2 ARG 15 -7.949 18.889 0.761 113 2HH1 ARG 15 2HH2 ARG 15 -6.905 19.673 1.916 114 1HH2 ARG 15 2HH1 ARG 15 -6.165 16.472 3.058 115 2HH2 ARG 15 1HH1 ARG 15 -5.781 18.127 3.392 116 H ASP 16 H ASP 16 -5.646 13.344 0.043 117 HA ASP 16 HA ASP 16 -3.360 15.238 -0.355 118 1HB ASP 16 2HB ASP 16 -2.924 13.433 1.881 119 2HB ASP 16 1HB ASP 16 -3.218 15.140 1.951 120 H PHE 17 H PHE 17 -4.259 13.481 -2.132 121 HA PHE 17 HA PHE 17 -3.503 11.090 -2.922 122 1HB PHE 17 2HB PHE 17 -3.228 13.662 -4.395 123 2HB PHE 17 1HB PHE 17 -3.172 12.099 -5.176 124 HD1 PHE 17 HD2 PHE 17 -5.349 11.531 -2.383 125 HD2 PHE 17 HD1 PHE 17 -5.185 13.535 -6.144 126 HE1 PHE 17 HE2 PHE 17 -7.771 11.495 -2.501 127 HE2 PHE 17 HE1 PHE 17 -7.653 13.484 -6.250 128 HZ PHE 17 HZ PHE 17 -8.935 12.465 -4.420 129 H ILE 18 H ILE 18 -0.877 12.888 -2.034 130 HA ILE 18 HA ILE 18 1.401 12.486 -3.327 131 HB ILE 18 HB ILE 18 1.747 12.652 -0.836 132 1HG1 ILE 18 2HG1 ILE 18 3.065 10.122 -1.843 133 2HG1 ILE 18 1HG1 ILE 18 3.600 11.753 -2.177 134 1HG2 ILE 18 3HG2 ILE 18 0.699 9.760 -0.769 135 2HG2 ILE 18 2HG2 ILE 18 1.218 10.710 0.624 136 3HG2 ILE 18 1HG2 ILE 18 -0.212 11.151 -0.259 137 1HD1 ILE 18 3HD1 ILE 18 3.796 12.223 0.219 138 2HD1 ILE 18 2HD1 ILE 18 3.281 10.597 0.618 139 3HD1 ILE 18 1HD1 ILE 18 4.805 10.860 -0.231 140 H LEU 19 H LEU 19 2.368 11.406 -4.684 141 HA LEU 19 HA LEU 19 1.589 9.001 -5.872 142 1HB LEU 19 2HB LEU 19 4.076 10.686 -5.867 143 2HB LEU 19 1HB LEU 19 4.348 9.077 -6.422 144 HG LEU 19 HG LEU 19 2.396 11.131 -7.808 145 1HD1 LEU 19 1HD1 LEU 19 4.892 9.760 -8.802 146 2HD1 LEU 19 3HD1 LEU 19 3.868 10.893 -9.667 147 3HD1 LEU 19 2HD1 LEU 19 4.791 11.434 -8.282 148 1HD2 LEU 19 3HD2 LEU 19 2.968 8.229 -8.565 149 2HD2 LEU 19 2HD2 LEU 19 1.446 8.797 -7.916 150 3HD2 LEU 19 1HD2 LEU 19 1.996 9.385 -9.456 151 H LYS 20 H LYS 20 1.546 7.010 -5.369 152 HA LYS 20 HA LYS 20 3.663 5.765 -3.640 153 1HB LYS 20 2HB LYS 20 0.888 6.225 -2.975 154 2HB LYS 20 1HB LYS 20 0.993 4.531 -3.334 155 1HG LYS 20 2HG LYS 20 1.817 4.190 -1.211 156 2HG LYS 20 1HG LYS 20 3.286 4.938 -1.734 157 1HD LYS 20 2HD LYS 20 0.906 6.443 -0.547 158 2HD LYS 20 1HD LYS 20 2.344 6.039 0.355 159 1HE LYS 20 2HE LYS 20 2.190 7.864 -2.061 160 2HE LYS 20 1HE LYS 20 2.358 8.403 -0.398 161 1HZ LYS 20 1HZ LYS 20 4.326 6.417 -0.999 162 2HZ LYS 20 3HZ LYS 20 4.351 7.621 -2.177 163 3HZ LYS 20 2HZ LYS 20 4.609 8.044 -0.565 164 H TRP 21 H TRP 21 3.389 3.147 -3.823 165 HA TRP 21 HA TRP 21 3.150 2.636 -6.776 166 1HB TRP 21 2HB TRP 21 4.896 1.211 -4.724 167 2HB TRP 21 1HB TRP 21 4.776 0.755 -6.408 168 HD1 TRP 21 HD1 TRP 21 6.193 3.529 -4.121 169 HE1 TRP 21 HE1 TRP 21 7.833 4.816 -5.596 170 HE3 TRP 21 HE3 TRP 21 5.356 1.330 -8.560 171 HZ2 TRP 21 HZ2 TRP 21 8.791 4.883 -8.271 172 HZ3 TRP 21 HZ3 TRP 21 6.627 1.969 -10.586 173 HH2 TRP 21 HH2 TRP 21 8.356 3.735 -10.462 174 H TYR 22 H TYR 22 1.917 0.914 -7.528 175 HA TYR 22 HA TYR 22 0.789 -1.005 -5.507 176 1HB TYR 22 2HB TYR 22 -1.404 -0.404 -5.943 177 2HB TYR 22 1HB TYR 22 -0.729 1.129 -6.392 178 HD1 TYR 22 HD1 TYR 22 0.248 0.917 -9.125 179 HD2 TYR 22 HD2 TYR 22 -3.021 -1.059 -7.280 180 HE1 TYR 22 HE1 TYR 22 -0.853 0.582 -11.353 181 HE2 TYR 22 HE2 TYR 22 -4.074 -1.377 -9.504 182 HH TYR 22 HH TYR 22 -2.593 -1.095 -12.343 183 H TYR 23 H TYR 23 0.096 -2.966 -6.423 184 HA TYR 23 HA TYR 23 1.726 -3.791 -8.687 185 1HB TYR 23 2HB TYR 23 1.417 -5.175 -6.677 186 2HB TYR 23 1HB TYR 23 -0.304 -5.265 -6.984 187 HD1 TYR 23 HD1 TYR 23 -1.203 -6.295 -9.035 188 HD2 TYR 23 HD2 TYR 23 2.906 -6.641 -8.034 189 HE1 TYR 23 HE1 TYR 23 -0.964 -8.163 -10.645 190 HE2 TYR 23 HE2 TYR 23 3.117 -8.520 -9.652 191 HH TYR 23 HH TYR 23 1.183 -10.263 -10.534 192 H ASP 24 H ASP 24 1.150 -3.833 -10.626 193 HA ASP 24 HA ASP 24 -1.636 -3.591 -11.551 194 1HB ASP 24 2HB ASP 24 -0.169 -1.686 -11.774 195 2HB ASP 24 1HB ASP 24 1.023 -2.655 -12.631 196 HA PRO 25 HA PRO 25 -0.475 -7.399 -13.909 197 1HB PRO 25 2HB PRO 25 -2.937 -7.914 -14.983 198 2HB PRO 25 1HB PRO 25 -2.655 -8.229 -13.260 199 1HG PRO 25 2HG PRO 25 -3.682 -5.623 -14.512 200 2HG PRO 25 1HG PRO 25 -4.563 -6.645 -13.360 201 1HD PRO 25 2HD PRO 25 -3.107 -4.529 -12.496 202 2HD PRO 25 1HD PRO 25 -2.967 -6.035 -11.548 203 H ASN 26 H ASN 26 -1.139 -7.325 -16.559 204 HA ASN 26 HA ASN 26 -1.251 -6.077 -18.698 205 1HB ASN 26 2HB ASN 26 -0.702 -3.471 -17.087 206 2HB ASN 26 1HB ASN 26 -1.345 -3.624 -18.700 207 1HD2 ASN 26 2HD2 ASN 26 -3.888 -3.331 -15.765 208 2HD2 ASN 26 1HD2 ASN 26 -2.237 -2.991 -15.571 209 H THR 27 H THR 27 0.666 -5.380 -16.143 210 HA THR 27 HA THR 27 3.360 -5.505 -17.496 211 HB THR 27 HB THR 27 4.236 -3.928 -15.733 212 HG1 THR 27 HG1 THR 27 1.742 -3.462 -14.625 213 1HG2 THR 27 3HG2 THR 27 1.455 -2.957 -16.545 214 2HG2 THR 27 2HG2 THR 27 2.772 -1.962 -15.972 215 3HG2 THR 27 1HG2 THR 27 2.878 -2.749 -17.543 216 H LYS 28 H LYS 28 1.526 -5.983 -14.544 217 HA LYS 28 HA LYS 28 1.459 -7.571 -12.964 218 1HB LYS 28 2HB LYS 28 1.191 -9.152 -14.669 219 2HB LYS 28 1HB LYS 28 2.727 -9.054 -15.390 220 1HG LYS 28 2HG LYS 28 2.913 -9.972 -12.600 221 2HG LYS 28 1HG LYS 28 1.613 -10.793 -13.392 222 1HD LYS 28 2HD LYS 28 3.480 -12.224 -13.997 223 2HD LYS 28 1HD LYS 28 3.361 -11.222 -15.409 224 1HE LYS 28 2HE LYS 28 5.290 -10.831 -13.091 225 2HE LYS 28 1HE LYS 28 5.705 -11.456 -14.680 226 1HZ LYS 28 2HZ LYS 28 4.358 -8.943 -14.973 227 2HZ LYS 28 1HZ LYS 28 5.514 -8.761 -13.840 228 3HZ LYS 28 3HZ LYS 28 5.933 -9.271 -15.409 229 H SER 29 H SER 29 2.940 -5.530 -12.755 230 HA SER 29 HA SER 29 5.159 -6.280 -11.015 231 1HB SER 29 2HB SER 29 6.709 -4.684 -12.255 232 2HB SER 29 1HB SER 29 6.008 -5.784 -13.430 233 HG SER 29 HG SER 29 4.193 -4.052 -13.608 234 H CYS 30 H CYS 30 5.725 -3.278 -10.734 235 HA CYS 30 HA CYS 30 3.171 -2.425 -9.464 236 1HB CYS 30 2HB CYS 30 5.961 -2.118 -8.353 237 2HB CYS 30 1HB CYS 30 4.489 -1.491 -7.687 238 H ALA 31 H ALA 31 2.552 -0.377 -9.843 239 HA ALA 31 HA ALA 31 4.343 1.457 -11.374 240 1HB ALA 31 3HB ALA 31 2.593 0.365 -12.806 241 2HB ALA 31 2HB ALA 31 1.345 0.906 -11.717 242 3HB ALA 31 1HB ALA 31 2.236 2.078 -12.669 243 H ARG 32 H ARG 32 3.460 3.607 -11.284 244 HA ARG 32 HA ARG 32 3.024 4.408 -8.500 245 1HB ARG 32 2HB ARG 32 4.474 5.502 -10.775 246 2HB ARG 32 1HB ARG 32 3.512 6.752 -9.994 247 1HG ARG 32 2HG ARG 32 4.534 6.113 -7.773 248 2HG ARG 32 1HG ARG 32 5.414 4.827 -8.546 249 1HD ARG 32 2HD ARG 32 5.833 7.821 -9.025 250 2HD ARG 32 1HD ARG 32 6.919 6.722 -8.188 251 HE ARG 32 HE ARG 32 7.001 5.373 -10.393 252 1HH1 ARG 32 1HH2 ARG 32 5.046 7.258 -11.433 253 2HH1 ARG 32 2HH2 ARG 32 5.937 8.156 -12.623 254 1HH2 ARG 32 2HH1 ARG 32 8.834 6.936 -11.112 255 2HH2 ARG 32 1HH1 ARG 32 8.296 7.945 -12.412 256 H PHE 33 H PHE 33 1.407 5.392 -7.746 257 HA PHE 33 HA PHE 33 -0.625 6.749 -9.455 258 1HB PHE 33 2HB PHE 33 -2.364 5.176 -8.952 259 2HB PHE 33 1HB PHE 33 -0.966 4.147 -9.132 260 HD1 PHE 33 HD2 PHE 33 0.239 3.266 -6.991 261 HD2 PHE 33 HD1 PHE 33 -3.381 5.468 -6.921 262 HE1 PHE 33 HE2 PHE 33 -0.223 2.532 -4.652 263 HE2 PHE 33 HE1 PHE 33 -3.835 4.752 -4.608 264 HZ PHE 33 HZ PHE 33 -2.226 3.275 -3.494 265 H TRP 34 H TRP 34 -2.541 7.602 -8.010 266 HA TRP 34 HA TRP 34 -1.313 9.214 -5.873 267 1HB TRP 34 2HB TRP 34 -4.135 9.254 -7.190 268 2HB TRP 34 1HB TRP 34 -3.757 10.308 -5.924 269 HD1 TRP 34 HD1 TRP 34 -4.325 10.389 -9.121 270 HE1 TRP 34 HE1 TRP 34 -3.066 12.272 -10.361 271 HE3 TRP 34 HE3 TRP 34 -0.624 11.547 -5.778 272 HZ2 TRP 34 HZ2 TRP 34 -0.965 13.972 -10.074 273 HZ3 TRP 34 HZ3 TRP 34 0.960 13.350 -6.324 274 HH2 TRP 34 HH2 TRP 34 0.813 14.560 -8.450 275 H TYR 35 H TYR 35 -1.833 8.903 -3.656 276 HA TYR 35 HA TYR 35 -3.640 6.669 -2.897 277 1HB TYR 35 2HB TYR 35 -1.480 6.060 -2.306 278 2HB TYR 35 1HB TYR 35 -0.975 7.711 -1.991 279 HD1 TYR 35 HD1 TYR 35 -3.379 5.162 -0.645 280 HD2 TYR 35 HD2 TYR 35 -0.735 8.365 0.238 281 HE1 TYR 35 HE1 TYR 35 -3.753 4.842 1.747 282 HE2 TYR 35 HE2 TYR 35 -1.130 7.992 2.662 283 HH TYR 35 HH TYR 35 -2.877 7.055 4.007 284 H GLY 36 H GLY 36 -4.957 6.788 -1.129 285 1HA GLY 36 2HA GLY 36 -6.136 9.442 -0.528 286 2HA GLY 36 1HA GLY 36 -6.703 7.921 0.145 287 H GLY 37 H GLY 37 -4.082 10.127 0.248 288 1HA GLY 37 2HA GLY 37 -2.337 10.032 2.130 289 2HA GLY 37 1HA GLY 37 -3.427 11.373 2.320 290 H CYS 38 H CYS 38 -5.076 11.200 3.803 291 HA CYS 38 HA CYS 38 -4.648 10.599 6.372 292 1HB CYS 38 2HB CYS 38 -7.067 10.305 6.702 293 2HB CYS 38 1HB CYS 38 -6.652 11.609 5.636 294 H GLY 39 H GLY 39 -5.376 7.831 4.271 295 1HA GLY 39 2HA GLY 39 -4.085 5.862 5.766 296 2HA GLY 39 1HA GLY 39 -5.574 6.041 6.646 297 H GLY 40 H GLY 40 -4.190 4.991 3.724 298 1HA GLY 40 2HA GLY 40 -6.671 3.474 2.940 299 2HA GLY 40 1HA GLY 40 -5.340 3.737 1.875 300 H ASN 41 H ASN 41 -6.204 1.561 1.586 301 HA ASN 41 HA ASN 41 -5.640 -0.700 3.249 302 1HB ASN 41 2HB ASN 41 -6.653 -1.920 1.482 303 2HB ASN 41 1HB ASN 41 -7.354 -0.335 1.325 304 1HD2 ASN 41 2HD2 ASN 41 -6.109 0.015 -1.934 305 2HD2 ASN 41 1HD2 ASN 41 -6.931 0.816 -0.676 306 H GLU 42 H GLU 42 -4.779 -2.563 1.452 307 HA GLU 42 HA GLU 42 -1.918 -2.604 1.994 308 1HB GLU 42 2HB GLU 42 -3.636 -4.696 0.685 309 2HB GLU 42 1HB GLU 42 -2.089 -4.957 1.482 310 1HG GLU 42 2HG GLU 42 -3.697 -5.603 3.191 311 2HG GLU 42 1HG GLU 42 -3.445 -3.925 3.614 312 H ASN 43 H ASN 43 -3.665 -2.469 -1.130 313 HA ASN 43 HA ASN 43 -1.101 -2.978 -2.567 314 1HB ASN 43 2HB ASN 43 -3.301 -3.891 -3.305 315 2HB ASN 43 1HB ASN 43 -3.847 -2.262 -3.696 316 1HD2 ASN 43 2HD2 ASN 43 -2.418 -3.223 -6.902 317 2HD2 ASN 43 1HD2 ASN 43 -3.914 -3.143 -6.112 318 H LYS 44 H LYS 44 -0.521 -1.198 -1.246 319 HA LYS 44 HA LYS 44 0.164 1.126 -2.887 320 1HB LYS 44 2HB LYS 44 -1.946 1.805 -2.141 321 2HB LYS 44 1HB LYS 44 -1.774 1.212 -0.565 322 1HG LYS 44 2HG LYS 44 -0.105 3.554 -1.659 323 2HG LYS 44 1HG LYS 44 -1.714 3.814 -1.074 324 1HD LYS 44 2HD LYS 44 0.618 2.849 0.724 325 2HD LYS 44 1HD LYS 44 -0.091 4.437 0.700 326 1HE LYS 44 2HE LYS 44 -1.106 3.363 2.576 327 2HE LYS 44 1HE LYS 44 -2.314 3.395 1.306 328 1HZ LYS 44 2HZ LYS 44 -0.720 1.090 0.967 329 2HZ LYS 44 1HZ LYS 44 -1.462 1.046 2.509 330 3HZ LYS 44 3HZ LYS 44 -2.388 1.300 1.193 331 H PHE 45 H PHE 45 2.172 0.784 -2.722 332 HA PHE 45 HA PHE 45 3.590 0.441 -0.131 333 1HB PHE 45 2HB PHE 45 4.508 -0.285 -2.974 334 2HB PHE 45 1HB PHE 45 5.315 -0.736 -1.482 335 HD1 PHE 45 HD2 PHE 45 4.109 -2.268 0.141 336 HD2 PHE 45 HD1 PHE 45 2.568 -1.475 -3.751 337 HE1 PHE 45 HE2 PHE 45 2.640 -4.211 0.315 338 HE2 PHE 45 HE1 PHE 45 1.116 -3.437 -3.577 339 HZ PHE 45 HZ PHE 45 1.130 -4.797 -1.549 340 H GLY 46 H GLY 46 5.790 1.176 -0.102 341 1HA GLY 46 2HA GLY 46 5.946 4.088 -0.623 342 2HA GLY 46 1HA GLY 46 7.160 3.152 0.229 343 H SER 47 H SER 47 7.542 1.272 -1.854 344 HA SER 47 HA SER 47 8.722 2.894 -4.065 345 1HB SER 47 2HB SER 47 10.876 1.843 -3.933 346 2HB SER 47 1HB SER 47 10.486 2.268 -2.260 347 HG SER 47 HG SER 47 10.480 0.150 -1.845 348 H GLN 48 H GLN 48 9.021 1.851 -6.012 349 HA GLN 48 HA GLN 48 7.100 -0.010 -6.849 350 1HB GLN 48 2HB GLN 48 8.618 1.438 -8.320 351 2HB GLN 48 1HB GLN 48 9.934 0.357 -7.984 352 1HG GLN 48 2HG GLN 48 8.784 -1.542 -9.086 353 2HG GLN 48 1HG GLN 48 7.336 -0.579 -9.310 354 1HE2 GLN 48 2HE2 GLN 48 8.521 0.322 -12.423 355 2HE2 GLN 48 1HE2 GLN 48 7.206 -0.209 -11.455 356 H LYS 49 H LYS 49 10.410 -0.608 -5.968 357 HA LYS 49 HA LYS 49 10.289 -3.407 -6.215 358 1HB LYS 49 2HB LYS 49 12.432 -1.917 -6.043 359 2HB LYS 49 1HB LYS 49 12.069 -1.673 -4.352 360 1HG LYS 49 2HG LYS 49 13.712 -3.338 -4.227 361 2HG LYS 49 1HG LYS 49 12.258 -4.291 -4.123 362 1HD LYS 49 2HD LYS 49 13.768 -3.780 -6.740 363 2HD LYS 49 1HD LYS 49 14.016 -5.201 -5.751 364 1HE LYS 49 2HE LYS 49 11.514 -5.721 -6.056 365 2HE LYS 49 1HE LYS 49 11.515 -4.430 -7.253 366 1HZ LYS 49 1HZ LYS 49 13.758 -5.972 -7.908 367 2HZ LYS 49 3HZ LYS 49 12.451 -7.029 -7.577 368 3HZ LYS 49 2HZ LYS 49 12.216 -5.878 -8.671 369 H GLU 50 H GLU 50 9.713 -1.489 -3.240 370 HA GLU 50 HA GLU 50 9.406 -3.589 -1.482 371 1HB GLU 50 2HB GLU 50 9.240 -1.448 -0.651 372 2HB GLU 50 1HB GLU 50 7.977 -0.987 -1.806 373 1HG GLU 50 2HG GLU 50 7.127 -1.444 0.665 374 2HG GLU 50 1HG GLU 50 6.296 -2.369 -0.563 375 H CYS 51 H CYS 51 6.974 -2.115 -3.385 376 HA CYS 51 HA CYS 51 4.702 -3.768 -3.054 377 1HB CYS 51 2HB CYS 51 4.652 -1.662 -4.334 378 2HB CYS 51 1HB CYS 51 5.727 -2.318 -5.512 379 H GLU 52 H GLU 52 7.124 -4.104 -5.621 380 HA GLU 52 HA GLU 52 6.198 -6.632 -6.681 381 1HB GLU 52 2HB GLU 52 7.979 -4.991 -7.630 382 2HB GLU 52 1HB GLU 52 9.052 -5.490 -6.339 383 1HG GLU 52 2HG GLU 52 8.845 -7.914 -7.324 384 2HG GLU 52 1HG GLU 52 8.089 -7.168 -8.716 385 H LYS 53 H LYS 53 8.557 -5.990 -4.152 386 HA LYS 53 HA LYS 53 8.841 -8.733 -3.463 387 1HB LYS 53 2HB LYS 53 10.454 -6.953 -2.995 388 2HB LYS 53 1HB LYS 53 9.370 -6.045 -2.025 389 1HG LYS 53 2HG LYS 53 9.726 -8.732 -0.859 390 2HG LYS 53 1HG LYS 53 11.282 -8.060 -1.257 391 1HD LYS 53 2HD LYS 53 11.004 -7.143 0.899 392 2HD LYS 53 1HD LYS 53 10.398 -5.831 -0.072 393 1HE LYS 53 2HE LYS 53 8.646 -7.939 1.223 394 2HE LYS 53 1HE LYS 53 8.967 -6.330 1.869 395 1HZ LYS 53 1HZ LYS 53 8.146 -5.860 -0.735 396 2HZ LYS 53 3HZ LYS 53 7.082 -7.037 -0.142 397 3HZ LYS 53 2HZ LYS 53 7.372 -5.559 0.647 398 H VAL 54 H VAL 54 5.937 -7.305 -3.271 399 HA VAL 54 HA VAL 54 5.025 -8.759 -0.842 400 HB VAL 54 HB VAL 54 4.085 -6.285 -2.286 401 1HG1 VAL 54 3HG1 VAL 54 2.871 -7.755 0.155 402 2HG1 VAL 54 2HG1 VAL 54 2.278 -6.225 -0.444 403 3HG1 VAL 54 1HG1 VAL 54 2.122 -7.656 -1.431 404 1HG2 VAL 54 3HG2 VAL 54 5.127 -6.641 0.557 405 2HG2 VAL 54 2HG2 VAL 54 5.862 -5.771 -0.800 406 3HG2 VAL 54 1HG2 VAL 54 4.441 -5.166 -0.064 407 H CYS 55 H CYS 55 4.083 -7.645 -4.044 408 HA CYS 55 HA CYS 55 2.150 -9.914 -4.322 409 1HB CYS 55 2HB CYS 55 2.606 -7.373 -5.903 410 2HB CYS 55 1HB CYS 55 1.481 -8.609 -6.419 411 H ALA 56 H ALA 56 5.282 -9.112 -5.485 412 HA ALA 56 HA ALA 56 5.184 -11.255 -7.586 413 1HB ALA 56 2HB ALA 56 5.949 -8.919 -8.251 414 2HB ALA 56 1HB ALA 56 7.215 -9.065 -7.050 415 3HB ALA 56 3HB ALA 56 7.241 -10.115 -8.424 416 HA PRO 57 HA PRO 57 7.400 -12.882 -3.764 417 1HB PRO 57 2HB PRO 57 6.129 -15.251 -3.471 418 2HB PRO 57 1HB PRO 57 5.348 -13.730 -3.007 419 1HG PRO 57 2HG PRO 57 5.175 -15.148 -5.743 420 2HG PRO 57 1HG PRO 57 3.809 -14.783 -4.675 421 1HD PRO 57 2HD PRO 57 4.402 -13.016 -6.606 422 2HD PRO 57 1HD PRO 57 4.101 -12.401 -4.962 423 H VAL 58 HN VAL 58 9.248 -12.861 -5.270 424 HA VAL 58 HA VAL 58 10.144 -15.634 -5.895 425 HB VAL 58 HB VAL 58 11.485 -14.522 -7.862 426 1HG1 VAL 58 3HG1 VAL 58 9.178 -15.488 -8.296 427 2HG1 VAL 58 2HG1 VAL 58 8.482 -13.923 -7.903 428 3HG1 VAL 58 1HG1 VAL 58 9.500 -14.094 -9.329 429 1HG2 VAL 58 3HG2 VAL 58 11.589 -12.292 -6.871 430 2HG2 VAL 58 2HG2 VAL 58 10.929 -12.202 -8.498 431 3HG2 VAL 58 1HG2 VAL 58 9.871 -12.059 -7.103 No H/Q in entry = 431 Start of MODEL 18 1 1H GLU 1 1H GLU 1 -5.287 -15.364 -0.933 2 2H GLU 1 3H GLU 1 -5.682 -16.978 -0.588 3 3H GLU 1 2H GLU 1 -6.732 -16.026 -1.464 4 HA GLU 1 HA GLU 1 -7.784 -15.370 0.329 5 1HB GLU 1 2HB GLU 1 -5.750 -17.220 1.668 6 2HB GLU 1 1HB GLU 1 -7.074 -16.499 2.566 7 1HG GLU 1 2HG GLU 1 -7.590 -18.858 1.528 8 2HG GLU 1 1HG GLU 1 -8.768 -17.633 1.105 9 H THR 2 H THR 2 -6.918 -13.269 -0.162 10 HA THR 2 HA THR 2 -6.768 -11.054 0.890 11 HB THR 2 HB THR 2 -6.080 -12.409 3.257 12 HG1 THR 2 HG1 THR 2 -5.370 -9.736 3.107 13 1HG2 THR 2 1HG2 THR 2 -3.521 -12.318 2.625 14 2HG2 THR 2 3HG2 THR 2 -3.716 -10.570 2.642 15 3HG2 THR 2 2HG2 THR 2 -4.030 -11.496 4.092 16 H ASP 3 H ASP 3 -6.112 -11.906 -1.198 17 HA ASP 3 HA ASP 3 -3.372 -11.781 -2.095 18 1HB ASP 3 2HB ASP 3 -6.064 -12.057 -3.579 19 2HB ASP 3 1HB ASP 3 -4.501 -12.697 -4.088 20 H ILE 4 H ILE 4 -3.333 -9.685 -1.068 21 HA ILE 4 HA ILE 4 -4.402 -7.215 -1.620 22 HB ILE 4 HB ILE 4 -2.356 -6.172 -1.013 23 1HG1 ILE 4 2HG1 ILE 4 -0.169 -7.751 -0.996 24 2HG1 ILE 4 1HG1 ILE 4 -0.967 -8.463 -2.376 25 1HG2 ILE 4 1HG2 ILE 4 -3.201 -7.569 0.822 26 2HG2 ILE 4 3HG2 ILE 4 -2.232 -8.928 0.295 27 3HG2 ILE 4 2HG2 ILE 4 -1.467 -7.466 0.874 28 1HD1 ILE 4 2HD1 ILE 4 -1.181 -6.110 -3.391 29 2HD1 ILE 4 1HD1 ILE 4 -0.370 -5.486 -1.970 30 3HD1 ILE 4 3HD1 ILE 4 0.491 -6.525 -3.084 31 H CYS 5 H CYS 5 -2.532 -9.028 -3.723 32 HA CYS 5 HA CYS 5 -2.079 -7.124 -5.893 33 1HB CYS 5 2HB CYS 5 -2.062 -10.142 -5.737 34 2HB CYS 5 1HB CYS 5 -1.842 -9.341 -7.271 35 H LYS 6 H LYS 6 -4.837 -7.932 -4.780 36 HA LYS 6 HA LYS 6 -6.457 -7.979 -7.309 37 1HB LYS 6 2HB LYS 6 -7.257 -8.735 -4.455 38 2HB LYS 6 1HB LYS 6 -8.329 -8.834 -5.816 39 1HG LYS 6 2HG LYS 6 -5.807 -10.539 -5.526 40 2HG LYS 6 1HG LYS 6 -7.343 -10.981 -4.879 41 1HD LYS 6 2HD LYS 6 -7.201 -12.149 -6.981 42 2HD LYS 6 1HD LYS 6 -8.438 -10.934 -7.092 43 1HE LYS 6 2HE LYS 6 -7.051 -11.112 -9.145 44 2HE LYS 6 1HE LYS 6 -7.046 -9.497 -8.459 45 1HZ LYS 6 3HZ LYS 6 -5.082 -10.992 -7.125 46 2HZ LYS 6 2HZ LYS 6 -4.800 -11.267 -8.771 47 3HZ LYS 6 1HZ LYS 6 -4.803 -9.689 -8.148 48 H LEU 7 H LEU 7 -5.365 -5.974 -4.935 49 HA LEU 7 HA LEU 7 -7.644 -4.206 -4.931 50 1HB LEU 7 2HB LEU 7 -5.190 -4.127 -3.147 51 2HB LEU 7 1HB LEU 7 -6.753 -3.395 -2.848 52 HG LEU 7 HG LEU 7 -6.191 -6.419 -2.902 53 1HD1 LEU 7 1HD1 LEU 7 -5.388 -5.219 -0.853 54 2HD1 LEU 7 3HD1 LEU 7 -7.029 -4.636 -0.601 55 3HD1 LEU 7 2HD1 LEU 7 -6.689 -6.341 -0.519 56 1HD2 LEU 7 2HD2 LEU 7 -8.753 -4.858 -2.257 57 2HD2 LEU 7 1HD2 LEU 7 -8.514 -5.822 -3.700 58 3HD2 LEU 7 3HD2 LEU 7 -8.566 -6.599 -2.135 59 HA PRO 8 HA PRO 8 -4.698 -2.193 -8.070 60 1HB PRO 8 2HB PRO 8 -6.712 -1.349 -9.721 61 2HB PRO 8 1HB PRO 8 -6.143 -3.017 -9.715 62 1HG PRO 8 2HG PRO 8 -8.456 -1.856 -8.045 63 2HG PRO 8 1HG PRO 8 -8.571 -3.122 -9.275 64 1HD PRO 8 2HD PRO 8 -8.281 -3.857 -6.763 65 2HD PRO 8 1HD PRO 8 -7.205 -4.643 -7.940 66 H LYS 9 H LYS 9 -5.572 -0.119 -9.117 67 HA LYS 9 HA LYS 9 -4.662 2.123 -7.715 68 1HB LYS 9 2HB LYS 9 -6.832 2.106 -9.861 69 2HB LYS 9 1HB LYS 9 -5.839 3.478 -9.432 70 1HG LYS 9 2HG LYS 9 -3.804 2.411 -10.242 71 2HG LYS 9 1HG LYS 9 -4.600 0.874 -10.501 72 1HD LYS 9 2HD LYS 9 -6.039 1.866 -12.287 73 2HD LYS 9 1HD LYS 9 -5.448 3.468 -11.904 74 1HE LYS 9 2HE LYS 9 -4.354 2.734 -13.943 75 2HE LYS 9 1HE LYS 9 -3.162 2.783 -12.656 76 1HZ LYS 9 3HZ LYS 9 -4.235 0.138 -12.613 77 2HZ LYS 9 2HZ LYS 9 -3.761 0.464 -14.194 78 3HZ LYS 9 1HZ LYS 9 -2.772 0.656 -12.930 79 H ASP 10 H ASP 10 -5.717 1.539 -5.590 80 HA ASP 10 HA ASP 10 -8.365 2.747 -5.043 81 1HB ASP 10 2HB ASP 10 -7.979 0.463 -4.284 82 2HB ASP 10 1HB ASP 10 -6.428 0.952 -3.612 83 H GLU 11 H GLU 11 -6.923 4.781 -5.624 84 HA GLU 11 HA GLU 11 -5.185 6.122 -4.123 85 1HB GLU 11 2HB GLU 11 -7.817 7.364 -5.081 86 2HB GLU 11 1HB GLU 11 -6.318 8.232 -4.844 87 1HG GLU 11 2HG GLU 11 -6.658 6.038 -6.977 88 2HG GLU 11 1HG GLU 11 -6.736 7.746 -7.266 89 H GLY 12 H GLY 12 -8.324 5.536 -3.078 90 1HA GLY 12 2HA GLY 12 -9.018 5.314 -0.728 91 2HA GLY 12 1HA GLY 12 -7.832 6.540 -0.288 92 H THR 13 H THR 13 -10.260 6.964 0.726 93 HA THR 13 HA THR 13 -11.719 8.886 -1.110 94 HB THR 13 HB THR 13 -13.210 7.174 -0.163 95 HG1 THR 13 HG1 THR 13 -13.392 9.590 1.303 96 1HG2 THR 13 1HG2 THR 13 -12.449 8.287 2.596 97 2HG2 THR 13 3HG2 THR 13 -13.649 7.068 2.232 98 3HG2 THR 13 2HG2 THR 13 -11.945 6.703 2.030 99 H CYS 14 H CYS 14 -9.652 10.001 -0.640 100 HA CYS 14 HA CYS 14 -9.969 11.938 1.632 101 1HB CYS 14 2HB CYS 14 -7.819 10.195 0.836 102 2HB CYS 14 1HB CYS 14 -7.225 11.828 0.824 103 H ARG 15 H ARG 15 -8.148 13.703 1.196 104 HA ARG 15 HA ARG 15 -8.996 15.186 -1.289 105 1HB ARG 15 2HB ARG 15 -9.846 15.923 1.037 106 2HB ARG 15 1HB ARG 15 -8.202 16.445 1.330 107 1HG ARG 15 2HG ARG 15 -8.384 17.869 -0.845 108 2HG ARG 15 1HG ARG 15 -10.085 17.446 -0.885 109 1HD ARG 15 2HD ARG 15 -9.913 19.571 0.235 110 2HD ARG 15 1HD ARG 15 -10.241 18.379 1.509 111 HE ARG 15 HE ARG 15 -7.611 18.278 1.776 112 1HH1 ARG 15 2HH1 ARG 15 -6.042 19.324 0.912 113 2HH1 ARG 15 1HH1 ARG 15 -5.884 20.993 1.205 114 1HH2 ARG 15 1HH2 ARG 15 -9.277 20.885 2.121 115 2HH2 ARG 15 2HH2 ARG 15 -7.941 21.998 1.983 116 H ASP 16 H ASP 16 -6.067 15.042 0.816 117 HA ASP 16 HA ASP 16 -4.566 16.580 -1.194 118 1HB ASP 16 2HB ASP 16 -4.080 15.696 1.681 119 2HB ASP 16 1HB ASP 16 -2.972 16.695 0.753 120 H PHE 17 H PHE 17 -5.018 14.572 -2.449 121 HA PHE 17 HA PHE 17 -3.912 12.117 -2.639 122 1HB PHE 17 2HB PHE 17 -3.748 14.160 -4.888 123 2HB PHE 17 1HB PHE 17 -3.804 12.422 -5.072 124 HD1 PHE 17 HD1 PHE 17 -5.801 11.114 -4.252 125 HD2 PHE 17 HD2 PHE 17 -5.829 15.356 -4.447 126 HE1 PHE 17 HE1 PHE 17 -8.248 11.100 -4.065 127 HE2 PHE 17 HE2 PHE 17 -8.268 15.347 -4.261 128 HZ PHE 17 HZ PHE 17 -9.487 13.220 -4.067 129 H ILE 18 H ILE 18 -2.139 11.284 -2.012 130 HA ILE 18 HA ILE 18 0.512 12.543 -2.783 131 HB ILE 18 HB ILE 18 0.114 12.162 -0.299 132 1HG1 ILE 18 2HG1 ILE 18 2.396 12.235 -1.490 133 2HG1 ILE 18 1HG1 ILE 18 2.336 11.697 0.162 134 1HG2 ILE 18 3HG2 ILE 18 0.403 9.203 -0.952 135 2HG2 ILE 18 2HG2 ILE 18 0.436 9.903 0.661 136 3HG2 ILE 18 1HG2 ILE 18 -1.047 9.980 -0.288 137 1HD1 ILE 18 3HD1 ILE 18 2.616 9.835 -2.265 138 2HD1 ILE 18 2HD1 ILE 18 3.881 10.303 -1.160 139 3HD1 ILE 18 1HD1 ILE 18 2.560 9.325 -0.585 140 H LEU 19 H LEU 19 1.971 11.484 -4.012 141 HA LEU 19 HA LEU 19 1.009 9.320 -5.567 142 1HB LEU 19 2HB LEU 19 1.877 11.310 -6.587 143 2HB LEU 19 1HB LEU 19 3.385 11.173 -5.742 144 HG LEU 19 HG LEU 19 3.777 9.077 -6.826 145 1HD1 LEU 19 3HD1 LEU 19 1.323 9.659 -8.526 146 2HD1 LEU 19 2HD1 LEU 19 2.488 8.431 -8.947 147 3HD1 LEU 19 1HD1 LEU 19 1.561 8.275 -7.478 148 1HD2 LEU 19 2HD2 LEU 19 4.717 11.133 -7.970 149 2HD2 LEU 19 1HD2 LEU 19 4.244 9.979 -9.208 150 3HD2 LEU 19 3HD2 LEU 19 3.198 11.316 -8.821 151 H LYS 20 H LYS 20 1.263 7.307 -4.690 152 HA LYS 20 HA LYS 20 3.974 6.328 -3.670 153 1HB LYS 20 2HB LYS 20 1.196 5.368 -2.938 154 2HB LYS 20 1HB LYS 20 2.671 4.667 -2.302 155 1HG LYS 20 2HG LYS 20 3.340 6.626 -1.130 156 2HG LYS 20 1HG LYS 20 2.260 7.657 -2.039 157 1HD LYS 20 2HD LYS 20 1.392 5.572 0.011 158 2HD LYS 20 1HD LYS 20 1.449 7.311 0.283 159 1HE LYS 20 2HE LYS 20 0.106 7.332 -1.993 160 2HE LYS 20 1HE LYS 20 -0.376 5.714 -1.509 161 1HZ LYS 20 1HZ LYS 20 -0.623 7.506 0.731 162 2HZ LYS 20 3HZ LYS 20 -1.504 8.117 -0.582 163 3HZ LYS 20 2HZ LYS 20 -1.822 6.577 -0.046 164 H TRP 21 H TRP 21 3.783 3.520 -3.713 165 HA TRP 21 HA TRP 21 3.403 2.973 -6.645 166 1HB TRP 21 2HB TRP 21 5.169 1.510 -4.615 167 2HB TRP 21 1HB TRP 21 4.968 1.026 -6.278 168 HD1 TRP 21 HD1 TRP 21 6.647 3.752 -4.126 169 HE1 TRP 21 HE1 TRP 21 8.421 4.797 -5.660 170 HE3 TRP 21 HE3 TRP 21 5.606 1.411 -8.446 171 HZ2 TRP 21 HZ2 TRP 21 9.321 4.688 -8.325 172 HZ3 TRP 21 HZ3 TRP 21 6.923 1.838 -10.490 173 HH2 TRP 21 HH2 TRP 21 8.794 3.470 -10.448 174 H TYR 22 H TYR 22 2.372 1.034 -7.268 175 HA TYR 22 HA TYR 22 1.293 -0.733 -5.142 176 1HB TYR 22 2HB TYR 22 -1.068 -0.301 -5.577 177 2HB TYR 22 1HB TYR 22 -0.305 1.269 -5.592 178 HD1 TYR 22 HD1 TYR 22 0.395 2.275 -7.814 179 HD2 TYR 22 HD2 TYR 22 -2.110 -1.146 -7.533 180 HE1 TYR 22 HE1 TYR 22 -0.285 2.523 -10.171 181 HE2 TYR 22 HE2 TYR 22 -2.766 -0.878 -9.881 182 HH TYR 22 HH TYR 22 -1.154 0.575 -11.907 183 H TYR 23 H TYR 23 0.534 -2.712 -5.936 184 HA TYR 23 HA TYR 23 1.752 -3.612 -8.418 185 1HB TYR 23 2HB TYR 23 1.434 -5.072 -6.356 186 2HB TYR 23 1HB TYR 23 -0.306 -5.016 -6.617 187 HD1 TYR 23 HD1 TYR 23 2.869 -6.034 -8.231 188 HD2 TYR 23 HD2 TYR 23 -1.356 -6.296 -8.334 189 HE1 TYR 23 HE1 TYR 23 3.027 -7.728 -9.972 190 HE2 TYR 23 HE2 TYR 23 -1.205 -8.012 -10.109 191 HH TYR 23 HH TYR 23 1.969 -8.988 -11.274 192 H ASP 24 H ASP 24 0.903 -3.312 -10.365 193 HA ASP 24 HA ASP 24 -1.998 -2.699 -10.582 194 1HB ASP 24 2HB ASP 24 -0.268 -1.050 -11.294 195 2HB ASP 24 1HB ASP 24 0.071 -2.107 -12.640 196 HA PRO 25 HA PRO 25 -1.578 -7.077 -12.131 197 1HB PRO 25 2HB PRO 25 -4.345 -7.418 -12.656 198 2HB PRO 25 1HB PRO 25 -3.622 -7.636 -11.053 199 1HG PRO 25 2HG PRO 25 -4.836 -5.062 -12.204 200 2HG PRO 25 1HG PRO 25 -5.259 -5.855 -10.683 201 1HD PRO 25 2HD PRO 25 -3.551 -3.847 -10.595 202 2HD PRO 25 1HD PRO 25 -3.033 -5.307 -9.721 203 H ASN 26 H ASN 26 -2.468 -4.417 -13.771 204 HA ASN 26 HA ASN 26 -2.850 -5.436 -16.479 205 1HB ASN 26 2HB ASN 26 -3.943 -3.358 -15.513 206 2HB ASN 26 1HB ASN 26 -2.373 -2.613 -15.363 207 1HD2 ASN 26 2HD2 ASN 26 -2.744 -2.832 -19.217 208 2HD2 ASN 26 1HD2 ASN 26 -2.053 -4.107 -18.321 209 H THR 27 H THR 27 -0.166 -4.089 -14.667 210 HA THR 27 HA THR 27 1.684 -4.293 -17.047 211 HB THR 27 HB THR 27 3.398 -3.107 -15.685 212 HG1 THR 27 HG1 THR 27 3.415 -3.524 -13.599 213 1HG2 THR 27 1HG2 THR 27 0.737 -2.102 -14.565 214 2HG2 THR 27 3HG2 THR 27 2.239 -1.212 -14.609 215 3HG2 THR 27 2HG2 THR 27 1.370 -1.558 -16.101 216 H LYS 28 H LYS 28 0.998 -5.366 -13.951 217 HA LYS 28 HA LYS 28 1.061 -7.269 -12.868 218 1HB LYS 28 2HB LYS 28 2.885 -8.310 -15.161 219 2HB LYS 28 1HB LYS 28 2.243 -9.350 -13.937 220 1HG LYS 28 2HG LYS 28 0.005 -7.833 -14.930 221 2HG LYS 28 1HG LYS 28 0.957 -8.122 -16.320 222 1HD LYS 28 2HD LYS 28 -0.724 -10.059 -16.034 223 2HD LYS 28 1HD LYS 28 0.920 -10.628 -15.990 224 1HE LYS 28 2HE LYS 28 -0.581 -11.564 -14.192 225 2HE LYS 28 1HE LYS 28 0.909 -10.856 -13.593 226 1HZ LYS 28 2HZ LYS 28 -1.052 -8.824 -13.908 227 2HZ LYS 28 1HZ LYS 28 -1.720 -10.041 -12.954 228 3HZ LYS 28 3HZ LYS 28 -0.237 -9.317 -12.490 229 H SER 29 H SER 29 2.885 -5.234 -12.907 230 HA SER 29 HA SER 29 4.857 -6.126 -10.870 231 1HB SER 29 2HB SER 29 6.609 -4.773 -11.969 232 2HB SER 29 1HB SER 29 5.827 -5.592 -13.317 233 HG SER 29 HG SER 29 5.806 -3.003 -12.569 234 H CYS 30 H CYS 30 5.468 -3.097 -10.661 235 HA CYS 30 HA CYS 30 2.759 -2.134 -9.831 236 1HB CYS 30 2HB CYS 30 5.328 -2.078 -8.333 237 2HB CYS 30 1HB CYS 30 3.852 -1.428 -7.686 238 H ALA 31 H ALA 31 2.420 0.043 -9.806 239 HA ALA 31 HA ALA 31 4.507 1.787 -11.060 240 1HB ALA 31 3HB ALA 31 1.542 1.564 -11.889 241 2HB ALA 31 2HB ALA 31 2.703 2.685 -12.597 242 3HB ALA 31 1HB ALA 31 2.905 0.960 -12.811 243 H ARG 32 H ARG 32 3.203 4.164 -10.924 244 HA ARG 32 HA ARG 32 2.639 4.373 -8.074 245 1HB ARG 32 2HB ARG 32 3.883 6.237 -10.096 246 2HB ARG 32 1HB ARG 32 3.705 6.677 -8.385 247 1HG ARG 32 2HG ARG 32 5.164 4.689 -7.893 248 2HG ARG 32 1HG ARG 32 5.183 4.260 -9.566 249 1HD ARG 32 2HD ARG 32 7.114 5.427 -9.590 250 2HD ARG 32 1HD ARG 32 5.977 6.603 -10.126 251 HE ARG 32 HE ARG 32 7.427 7.500 -8.305 252 1HH1 ARG 32 2HH1 ARG 32 6.275 5.205 -6.623 253 2HH1 ARG 32 1HH1 ARG 32 5.526 6.146 -5.378 254 1HH2 ARG 32 1HH2 ARG 32 5.885 8.969 -7.258 255 2HH2 ARG 32 2HH2 ARG 32 5.334 8.347 -5.740 256 H PHE 33 H PHE 33 1.214 5.894 -7.263 257 HA PHE 33 HA PHE 33 -0.761 7.120 -9.110 258 1HB PHE 33 2HB PHE 33 -2.671 5.906 -8.155 259 2HB PHE 33 1HB PHE 33 -1.553 4.847 -8.941 260 HD1 PHE 33 HD1 PHE 33 0.302 4.767 -6.210 261 HD2 PHE 33 HD2 PHE 33 -3.752 4.127 -7.231 262 HE1 PHE 33 HE1 PHE 33 0.094 3.197 -4.357 263 HE2 PHE 33 HE2 PHE 33 -3.997 2.536 -5.386 264 HZ PHE 33 HZ PHE 33 -2.045 2.059 -3.923 265 H TRP 34 H TRP 34 -2.153 8.591 -8.334 266 HA TRP 34 HA TRP 34 -1.190 10.221 -6.093 267 1HB TRP 34 2HB TRP 34 -3.415 10.444 -8.236 268 2HB TRP 34 1HB TRP 34 -3.316 11.613 -6.992 269 HD1 TRP 34 HD1 TRP 34 -2.486 11.214 -10.160 270 HE1 TRP 34 HE1 TRP 34 -0.489 12.746 -10.852 271 HE3 TRP 34 HE3 TRP 34 -0.654 12.376 -5.646 272 HZ2 TRP 34 HZ2 TRP 34 1.544 14.262 -9.663 273 HZ3 TRP 34 HZ3 TRP 34 1.268 13.925 -5.410 274 HH2 TRP 34 HH2 TRP 34 2.381 14.844 -7.402 275 H TYR 35 H TYR 35 -1.670 8.361 -4.781 276 HA TYR 35 HA TYR 35 -4.185 7.677 -3.819 277 1HB TYR 35 2HB TYR 35 -1.871 6.592 -3.830 278 2HB TYR 35 1HB TYR 35 -1.696 7.551 -2.376 279 HD1 TYR 35 HD1 TYR 35 -3.630 6.967 -0.394 280 HD2 TYR 35 HD2 TYR 35 -2.755 4.725 -3.856 281 HE1 TYR 35 HE1 TYR 35 -4.797 5.003 0.567 282 HE2 TYR 35 HE2 TYR 35 -3.925 2.759 -2.888 283 HH TYR 35 HH TYR 35 -5.839 2.567 -1.219 284 H GLY 36 H GLY 36 -5.331 9.418 -3.286 285 1HA GLY 36 2HA GLY 36 -5.473 11.514 -1.614 286 2HA GLY 36 1HA GLY 36 -6.644 10.251 -1.365 287 H GLY 37 H GLY 37 -5.338 8.365 -0.223 288 1HA GLY 37 2HA GLY 37 -3.627 8.088 1.748 289 2HA GLY 37 1HA GLY 37 -4.351 9.525 2.413 290 H CYS 38 H CYS 38 -6.603 9.338 2.984 291 HA CYS 38 HA CYS 38 -7.514 8.201 5.031 292 1HB CYS 38 2HB CYS 38 -8.873 8.069 2.367 293 2HB CYS 38 1HB CYS 38 -9.716 7.679 3.844 294 H GLY 39 H GLY 39 -5.909 6.385 5.273 295 1HA GLY 39 2HA GLY 39 -5.782 4.129 6.134 296 2HA GLY 39 1HA GLY 39 -7.408 3.848 5.542 297 H GLY 40 H GLY 40 -7.533 3.804 3.181 298 1HA GLY 40 2HA GLY 40 -7.096 2.681 1.112 299 2HA GLY 40 1HA GLY 40 -5.422 3.044 1.435 300 H ASN 41 H ASN 41 -6.515 0.737 0.133 301 HA ASN 41 HA ASN 41 -6.484 -1.575 1.836 302 1HB ASN 41 2HB ASN 41 -6.642 -2.775 -0.232 303 2HB ASN 41 1HB ASN 41 -7.412 -1.235 -0.537 304 1HD2 ASN 41 2HD2 ASN 41 -5.424 -0.813 -3.314 305 2HD2 ASN 41 1HD2 ASN 41 -6.910 -0.573 -2.539 306 H GLU 42 H GLU 42 -4.935 -3.536 1.043 307 HA GLU 42 HA GLU 42 -2.321 -2.868 2.162 308 1HB GLU 42 2HB GLU 42 -3.592 -5.515 1.265 309 2HB GLU 42 1HB GLU 42 -2.127 -5.399 2.211 310 1HG GLU 42 2HG GLU 42 -3.301 -4.486 4.110 311 2HG GLU 42 1HG GLU 42 -4.766 -4.203 3.198 312 H ASN 43 H ASN 43 -2.655 -1.897 -0.259 313 HA ASN 43 HA ASN 43 -0.399 -3.217 -1.789 314 1HB ASN 43 2HB ASN 43 -2.757 -3.013 -2.789 315 2HB ASN 43 1HB ASN 43 -2.548 -1.283 -2.794 316 1HD2 ASN 43 2HD2 ASN 43 -1.559 -2.686 -6.102 317 2HD2 ASN 43 1HD2 ASN 43 -2.996 -2.639 -5.191 318 H LYS 44 H LYS 44 -1.408 0.159 -2.057 319 HA LYS 44 HA LYS 44 0.681 1.695 -2.511 320 1HB LYS 44 2HB LYS 44 -0.068 3.304 -0.797 321 2HB LYS 44 1HB LYS 44 -1.451 2.486 -1.507 322 1HG LYS 44 2HG LYS 44 -1.207 0.812 0.538 323 2HG LYS 44 1HG LYS 44 -0.207 2.056 1.254 324 1HD LYS 44 2HD LYS 44 -2.240 3.663 0.475 325 2HD LYS 44 1HD LYS 44 -3.118 2.158 0.438 326 1HE LYS 44 2HE LYS 44 -1.696 3.124 2.917 327 2HE LYS 44 1HE LYS 44 -3.363 3.514 2.522 328 1HZ LYS 44 3HZ LYS 44 -3.109 0.735 2.167 329 2HZ LYS 44 2HZ LYS 44 -2.386 1.068 3.640 330 3HZ LYS 44 1HZ LYS 44 -3.965 1.541 3.342 331 H PHE 45 H PHE 45 2.611 1.117 -2.535 332 HA PHE 45 HA PHE 45 4.208 0.775 -0.052 333 1HB PHE 45 2HB PHE 45 4.821 -0.099 -2.913 334 2HB PHE 45 1HB PHE 45 5.823 -0.446 -1.524 335 HD1 PHE 45 HD1 PHE 45 4.800 -1.864 0.363 336 HD2 PHE 45 HD2 PHE 45 3.072 -1.548 -3.507 337 HE1 PHE 45 HE1 PHE 45 3.568 -3.943 0.734 338 HE2 PHE 45 HE2 PHE 45 1.848 -3.635 -3.148 339 HZ PHE 45 HZ PHE 45 2.086 -4.841 -1.009 340 H GLY 46 H GLY 46 6.412 1.433 -0.150 341 1HA GLY 46 2HA GLY 46 6.775 4.273 -0.892 342 2HA GLY 46 1HA GLY 46 7.979 3.278 -0.076 343 H SER 47 H SER 47 7.856 1.236 -2.121 344 HA SER 47 HA SER 47 8.958 2.525 -4.560 345 1HB SER 47 2HB SER 47 10.572 0.888 -2.685 346 2HB SER 47 1HB SER 47 10.964 0.907 -4.422 347 HG SER 47 HG SER 47 10.320 3.328 -3.082 348 H GLN 48 H GLN 48 9.216 1.129 -6.419 349 HA GLN 48 HA GLN 48 7.037 -0.674 -6.668 350 1HB GLN 48 2HB GLN 48 8.108 0.309 -8.717 351 2HB GLN 48 1HB GLN 48 9.622 -0.495 -8.364 352 1HG GLN 48 2HG GLN 48 8.851 -2.601 -9.117 353 2HG GLN 48 1HG GLN 48 7.193 -2.339 -8.748 354 1HE2 GLN 48 2HE2 GLN 48 8.240 -0.534 -12.175 355 2HE2 GLN 48 1HE2 GLN 48 9.060 -0.082 -10.742 356 H LYS 49 H LYS 49 10.398 -1.523 -6.435 357 HA LYS 49 HA LYS 49 10.162 -4.296 -6.306 358 1HB LYS 49 2HB LYS 49 12.332 -3.048 -6.361 359 2HB LYS 49 1HB LYS 49 12.038 -2.339 -4.789 360 1HG LYS 49 2HG LYS 49 11.965 -5.230 -4.432 361 2HG LYS 49 1HG LYS 49 13.275 -4.931 -5.544 362 1HD LYS 49 2HD LYS 49 14.223 -4.746 -3.269 363 2HD LYS 49 1HD LYS 49 14.171 -3.132 -3.954 364 1HE LYS 49 2HE LYS 49 11.709 -3.169 -2.829 365 2HE LYS 49 1HE LYS 49 12.452 -4.353 -1.797 366 1HZ LYS 49 2HZ LYS 49 14.294 -2.159 -2.021 367 2HZ LYS 49 1HZ LYS 49 12.702 -1.614 -1.717 368 3HZ LYS 49 3HZ LYS 49 13.311 -2.654 -0.680 369 H GLU 50 H GLU 50 9.587 -2.135 -3.510 370 HA GLU 50 HA GLU 50 9.249 -4.034 -1.515 371 1HB GLU 50 2HB GLU 50 8.165 -1.436 -2.153 372 2HB GLU 50 1HB GLU 50 7.250 -2.414 -0.981 373 1HG GLU 50 2HG GLU 50 8.977 -0.937 0.160 374 2HG GLU 50 1HG GLU 50 9.216 -2.642 0.432 375 H CYS 51 H CYS 51 6.832 -2.696 -3.504 376 HA CYS 51 HA CYS 51 4.588 -4.270 -3.021 377 1HB CYS 51 2HB CYS 51 4.889 -2.157 -4.448 378 2HB CYS 51 1HB CYS 51 5.574 -3.162 -5.669 379 H GLU 52 H GLU 52 6.959 -4.863 -5.592 380 HA GLU 52 HA GLU 52 5.868 -7.431 -6.307 381 1HB GLU 52 2HB GLU 52 8.746 -6.330 -6.516 382 2HB GLU 52 1HB GLU 52 8.140 -7.674 -7.464 383 1HG GLU 52 2HG GLU 52 6.470 -6.160 -8.571 384 2HG GLU 52 1HG GLU 52 6.952 -4.824 -7.557 385 H LYS 53 H LYS 53 8.604 -6.723 -4.183 386 HA LYS 53 HA LYS 53 8.861 -9.458 -3.433 387 1HB LYS 53 2HB LYS 53 9.884 -6.805 -2.382 388 2HB LYS 53 1HB LYS 53 10.176 -8.176 -1.359 389 1HG LYS 53 2HG LYS 53 11.048 -7.880 -4.272 390 2HG LYS 53 1HG LYS 53 12.118 -7.675 -2.906 391 1HD LYS 53 2HD LYS 53 10.836 -10.265 -3.938 392 2HD LYS 53 1HD LYS 53 12.519 -9.925 -3.758 393 1HE LYS 53 2HE LYS 53 12.231 -11.336 -1.969 394 2HE LYS 53 1HE LYS 53 11.932 -9.804 -1.149 395 1HZ LYS 53 2HZ LYS 53 9.593 -10.662 -2.447 396 2HZ LYS 53 1HZ LYS 53 10.108 -11.948 -1.763 397 3HZ LYS 53 3HZ LYS 53 9.661 -10.562 -0.806 398 H VAL 54 H VAL 54 6.435 -7.481 -2.552 399 HA VAL 54 HA VAL 54 5.958 -8.721 0.112 400 HB VAL 54 HB VAL 54 4.895 -6.310 -1.416 401 1HG1 VAL 54 1HG1 VAL 54 3.937 -7.434 1.297 402 2HG1 VAL 54 3HG1 VAL 54 3.391 -5.925 0.602 403 3HG1 VAL 54 2HG1 VAL 54 2.970 -7.429 -0.168 404 1HG2 VAL 54 1HG2 VAL 54 7.024 -6.053 -0.075 405 2HG2 VAL 54 3HG2 VAL 54 5.736 -5.082 0.593 406 3HG2 VAL 54 2HG2 VAL 54 6.193 -6.595 1.361 407 H CYS 55 H CYS 55 4.411 -8.306 -3.046 408 HA CYS 55 HA CYS 55 2.583 -10.606 -2.346 409 1HB CYS 55 2HB CYS 55 1.517 -8.397 -2.590 410 2HB CYS 55 1HB CYS 55 2.073 -8.298 -4.243 411 H ALA 56 H ALA 56 4.925 -9.701 -4.815 412 HA ALA 56 HA ALA 56 3.880 -11.658 -6.726 413 1HB ALA 56 3HB ALA 56 5.215 -9.601 -7.387 414 2HB ALA 56 2HB ALA 56 6.594 -10.253 -6.519 415 3HB ALA 56 1HB ALA 56 6.039 -11.043 -7.966 416 HA PRO 57 HA PRO 57 6.099 -15.212 -5.144 417 1HB PRO 57 2HB PRO 57 6.536 -16.762 -7.306 418 2HB PRO 57 1HB PRO 57 4.878 -16.326 -6.855 419 1HG PRO 57 2HG PRO 57 6.721 -14.844 -8.833 420 2HG PRO 57 1HG PRO 57 5.134 -15.527 -9.204 421 1HD PRO 57 2HD PRO 57 5.367 -12.902 -8.494 422 2HD PRO 57 1HD PRO 57 3.992 -13.839 -7.871 423 H VAL 58 HN VAL 58 7.721 -13.185 -5.014 424 HA VAL 58 HA VAL 58 10.412 -14.302 -5.276 425 HB VAL 58 HB VAL 58 11.208 -11.925 -6.135 426 1HG1 VAL 58 1HG1 VAL 58 11.103 -13.926 -7.652 427 2HG1 VAL 58 3HG1 VAL 58 9.430 -13.564 -8.011 428 3HG1 VAL 58 2HG1 VAL 58 10.696 -12.457 -8.531 429 1HG2 VAL 58 3HG2 VAL 58 9.038 -10.749 -5.694 430 2HG2 VAL 58 2HG2 VAL 58 9.506 -10.590 -7.381 431 3HG2 VAL 58 1HG2 VAL 58 8.266 -11.743 -6.902 No H/Q in entry = 431 Start of MODEL 19 1 1H GLU 1 3H GLU 1 -7.583 -13.377 -0.085 2 2H GLU 1 2H GLU 1 -8.314 -14.497 0.941 3 3H GLU 1 1H GLU 1 -9.215 -13.217 0.392 4 HA GLU 1 HA GLU 1 -8.555 -11.906 2.095 5 1HB GLU 1 2HB GLU 1 -7.112 -14.531 2.914 6 2HB GLU 1 1HB GLU 1 -7.386 -13.204 4.022 7 1HG GLU 1 2HG GLU 1 -9.173 -15.260 4.001 8 2HG GLU 1 1HG GLU 1 -9.864 -13.667 4.093 9 H THR 2 H THR 2 -6.741 -10.319 2.568 10 HA THR 2 HA THR 2 -4.956 -9.148 1.518 11 HB THR 2 HB THR 2 -3.757 -11.357 3.280 12 HG1 THR 2 HG1 THR 2 -4.660 -8.681 3.555 13 1HG2 THR 2 1HG2 THR 2 -2.860 -8.451 2.811 14 2HG2 THR 2 3HG2 THR 2 -2.103 -9.641 3.844 15 3HG2 THR 2 2HG2 THR 2 -2.009 -9.801 2.098 16 H ASP 3 H ASP 3 -5.758 -10.329 -0.366 17 HA ASP 3 HA ASP 3 -3.565 -11.577 -1.945 18 1HB ASP 3 2HB ASP 3 -5.657 -12.524 -3.235 19 2HB ASP 3 1HB ASP 3 -5.420 -13.107 -1.608 20 H ILE 4 H ILE 4 -3.308 -9.123 -1.590 21 HA ILE 4 HA ILE 4 -4.465 -7.051 -2.947 22 HB ILE 4 HB ILE 4 -2.694 -6.594 -1.443 23 1HG1 ILE 4 2HG1 ILE 4 -1.592 -5.975 -4.231 24 2HG1 ILE 4 1HG1 ILE 4 -2.881 -5.087 -3.459 25 1HG2 ILE 4 3HG2 ILE 4 -1.376 -8.718 -1.672 26 2HG2 ILE 4 2HG2 ILE 4 -0.783 -8.206 -3.246 27 3HG2 ILE 4 1HG2 ILE 4 -0.327 -7.342 -1.795 28 1HD1 ILE 4 2HD1 ILE 4 -1.294 -4.484 -1.588 29 2HD1 ILE 4 1HD1 ILE 4 -0.017 -5.377 -2.402 30 3HD1 ILE 4 3HD1 ILE 4 -0.684 -3.951 -3.160 31 H CYS 5 H CYS 5 -2.532 -9.444 -4.285 32 HA CYS 5 HA CYS 5 -1.704 -8.471 -6.770 33 1HB CYS 5 2HB CYS 5 -2.636 -11.224 -5.955 34 2HB CYS 5 1HB CYS 5 -1.747 -10.893 -7.425 35 H LYS 6 H LYS 6 -4.863 -9.209 -5.804 36 HA LYS 6 HA LYS 6 -5.950 -9.023 -8.568 37 1HB LYS 6 2HB LYS 6 -6.676 -11.049 -7.833 38 2HB LYS 6 1HB LYS 6 -6.261 -10.715 -6.172 39 1HG LYS 6 2HG LYS 6 -8.354 -9.314 -6.056 40 2HG LYS 6 1HG LYS 6 -8.758 -9.900 -7.652 41 1HD LYS 6 2HD LYS 6 -9.913 -11.309 -5.873 42 2HD LYS 6 1HD LYS 6 -8.774 -12.274 -6.778 43 1HE LYS 6 2HE LYS 6 -8.680 -12.618 -4.262 44 2HE LYS 6 1HE LYS 6 -7.133 -12.195 -4.971 45 1HZ LYS 6 2HZ LYS 6 -8.573 -9.795 -4.359 46 2HZ LYS 6 1HZ LYS 6 -8.510 -10.799 -2.992 47 3HZ LYS 6 3HZ LYS 6 -7.107 -10.331 -3.709 48 H LEU 7 H LEU 7 -5.286 -6.745 -6.538 49 HA LEU 7 HA LEU 7 -7.896 -5.493 -6.545 50 1HB LEU 7 2HB LEU 7 -5.408 -4.810 -4.953 51 2HB LEU 7 1HB LEU 7 -6.957 -4.051 -4.687 52 HG LEU 7 HG LEU 7 -6.246 -6.974 -4.275 53 1HD1 LEU 7 3HD1 LEU 7 -5.477 -5.324 -2.491 54 2HD1 LEU 7 2HD1 LEU 7 -7.120 -4.752 -2.334 55 3HD1 LEU 7 1HD1 LEU 7 -6.709 -6.389 -1.863 56 1HD2 LEU 7 2HD2 LEU 7 -8.899 -5.514 -3.791 57 2HD2 LEU 7 1HD2 LEU 7 -8.637 -6.736 -5.021 58 3HD2 LEU 7 3HD2 LEU 7 -8.568 -7.167 -3.321 59 HA PRO 8 HA PRO 8 -6.193 -2.051 -8.937 60 1HB PRO 8 2HB PRO 8 -8.363 -0.553 -9.094 61 2HB PRO 8 1HB PRO 8 -8.510 -2.274 -9.498 62 1HG PRO 8 2HG PRO 8 -9.199 -0.890 -6.846 63 2HG PRO 8 1HG PRO 8 -10.175 -2.054 -7.742 64 1HD PRO 8 2HD PRO 8 -8.308 -2.662 -5.631 65 2HD PRO 8 1HD PRO 8 -9.090 -3.847 -6.709 66 H LYS 9 H LYS 9 -6.574 0.351 -8.844 67 HA LYS 9 HA LYS 9 -4.616 1.535 -7.125 68 1HB LYS 9 2HB LYS 9 -7.019 2.851 -8.506 69 2HB LYS 9 1HB LYS 9 -5.731 3.748 -7.780 70 1HG LYS 9 2HG LYS 9 -5.305 3.798 -10.107 71 2HG LYS 9 1HG LYS 9 -4.103 2.767 -9.403 72 1HD LYS 9 2HD LYS 9 -6.531 1.273 -10.491 73 2HD LYS 9 1HD LYS 9 -5.649 2.174 -11.698 74 1HE LYS 9 2HE LYS 9 -3.578 1.218 -10.699 75 2HE LYS 9 1HE LYS 9 -4.529 -0.020 -9.907 76 1HZ LYS 9 3HZ LYS 9 -5.155 0.148 -12.770 77 2HZ LYS 9 2HZ LYS 9 -3.524 -0.076 -12.480 78 3HZ LYS 9 1HZ LYS 9 -4.549 -1.179 -11.917 79 H ASP 10 H ASP 10 -4.843 2.820 -5.097 80 HA ASP 10 HA ASP 10 -7.472 2.374 -3.737 81 1HB ASP 10 2HB ASP 10 -5.530 0.984 -2.754 82 2HB ASP 10 1HB ASP 10 -4.733 2.495 -2.388 83 H GLU 11 H GLU 11 -8.107 3.881 -2.179 84 HA GLU 11 HA GLU 11 -6.843 6.296 -1.546 85 1HB GLU 11 2HB GLU 11 -8.084 7.880 -3.157 86 2HB GLU 11 1HB GLU 11 -7.565 6.542 -4.134 87 1HG GLU 11 2HG GLU 11 -9.825 5.463 -4.020 88 2HG GLU 11 1HG GLU 11 -10.443 6.862 -3.132 89 H GLY 12 H GLY 12 -10.301 5.556 -2.068 90 1HA GLY 12 2HA GLY 12 -11.758 4.972 -0.109 91 2HA GLY 12 1HA GLY 12 -10.810 6.060 0.878 92 H THR 13 H THR 13 -10.950 8.413 0.105 93 HA THR 13 HA THR 13 -13.480 9.163 -1.274 94 HB THR 13 HB THR 13 -13.164 9.982 1.692 95 HG1 THR 13 HG1 THR 13 -14.364 7.893 0.279 96 1HG2 THR 13 1HG2 THR 13 -15.512 10.104 -0.268 97 2HG2 THR 13 3HG2 THR 13 -15.475 10.688 1.383 98 3HG2 THR 13 2HG2 THR 13 -14.564 11.529 0.138 99 H CYS 14 H CYS 14 -11.157 10.710 0.834 100 HA CYS 14 HA CYS 14 -11.216 13.263 -0.574 101 1HB CYS 14 2HB CYS 14 -9.402 12.498 1.722 102 2HB CYS 14 1HB CYS 14 -10.302 13.970 1.482 103 H ARG 15 H ARG 15 -8.579 14.204 -0.629 104 HA ARG 15 HA ARG 15 -6.864 12.149 -1.684 105 1HB ARG 15 2HB ARG 15 -8.406 12.185 -3.429 106 2HB ARG 15 1HB ARG 15 -8.510 13.926 -3.434 107 1HG ARG 15 2HG ARG 15 -6.608 14.114 -4.856 108 2HG ARG 15 1HG ARG 15 -5.933 12.595 -4.328 109 1HD ARG 15 2HD ARG 15 -8.537 12.721 -5.918 110 2HD ARG 15 1HD ARG 15 -6.957 12.510 -6.692 111 HE ARG 15 HE ARG 15 -6.696 10.441 -5.091 112 1HH1 ARG 15 2HH1 ARG 15 -8.795 10.478 -3.410 113 2HH1 ARG 15 1HH1 ARG 15 -9.918 9.410 -4.200 114 1HH2 ARG 15 1HH2 ARG 15 -8.362 9.699 -7.169 115 2HH2 ARG 15 2HH2 ARG 15 -9.633 8.908 -6.296 116 H ASP 16 H ASP 16 -6.242 13.875 0.144 117 HA ASP 16 HA ASP 16 -4.204 15.730 -0.950 118 1HB ASP 16 2HB ASP 16 -5.467 15.595 1.838 119 2HB ASP 16 1HB ASP 16 -4.731 16.982 1.074 120 H PHE 17 H PHE 17 -3.022 13.490 -1.314 121 HA PHE 17 HA PHE 17 -1.551 12.725 1.213 122 1HB PHE 17 2HB PHE 17 -1.837 10.900 -1.178 123 2HB PHE 17 1HB PHE 17 -1.261 10.546 0.553 124 HD1 PHE 17 HD2 PHE 17 -3.941 12.214 1.601 125 HD2 PHE 17 HD1 PHE 17 -2.736 8.711 -0.462 126 HE1 PHE 17 HE2 PHE 17 -5.853 11.008 2.506 127 HE2 PHE 17 HE1 PHE 17 -4.648 7.490 0.449 128 HZ PHE 17 HZ PHE 17 -6.151 8.614 2.006 129 H ILE 18 H ILE 18 -0.318 11.351 -1.618 130 HA ILE 18 HA ILE 18 1.994 12.780 -2.122 131 HB ILE 18 HB ILE 18 2.595 12.242 0.215 132 1HG1 ILE 18 2HG1 ILE 18 4.384 11.633 -1.662 133 2HG1 ILE 18 1HG1 ILE 18 4.662 11.396 0.037 134 1HG2 ILE 18 3HG2 ILE 18 1.704 9.351 -0.354 135 2HG2 ILE 18 2HG2 ILE 18 2.458 9.879 1.143 136 3HG2 ILE 18 1HG2 ILE 18 0.906 10.501 0.687 137 1HD1 ILE 18 2HD1 ILE 18 3.549 9.206 -1.725 138 2HD1 ILE 18 1HD1 ILE 18 5.267 9.358 -1.351 139 3HD1 ILE 18 3HD1 ILE 18 4.098 9.032 -0.072 140 H LEU 19 H LEU 19 3.607 11.101 -3.292 141 HA LEU 19 HA LEU 19 1.943 9.514 -5.146 142 1HB LEU 19 2HB LEU 19 3.305 11.275 -6.059 143 2HB LEU 19 1HB LEU 19 4.675 10.826 -5.093 144 HG LEU 19 HG LEU 19 4.952 8.725 -6.302 145 1HD1 LEU 19 1HD1 LEU 19 2.655 9.703 -8.100 146 2HD1 LEU 19 3HD1 LEU 19 3.644 8.302 -8.451 147 3HD1 LEU 19 2HD1 LEU 19 2.612 8.298 -7.057 148 1HD2 LEU 19 3HD2 LEU 19 6.104 10.731 -7.243 149 2HD2 LEU 19 2HD2 LEU 19 5.630 9.653 -8.544 150 3HD2 LEU 19 1HD2 LEU 19 4.686 11.094 -8.215 151 H LYS 20 H LYS 20 2.055 7.299 -5.226 152 HA LYS 20 HA LYS 20 4.283 5.971 -3.745 153 1HB LYS 20 2HB LYS 20 1.334 5.146 -3.501 154 2HB LYS 20 1HB LYS 20 2.610 4.495 -2.515 155 1HG LYS 20 2HG LYS 20 2.280 7.513 -2.286 156 2HG LYS 20 1HG LYS 20 0.886 6.607 -1.880 157 1HD LYS 20 2HD LYS 20 2.482 7.194 0.053 158 2HD LYS 20 1HD LYS 20 1.802 5.594 -0.012 159 1HE LYS 20 2HE LYS 20 4.278 5.832 0.586 160 2HE LYS 20 1HE LYS 20 3.800 4.589 -0.552 161 1HZ LYS 20 1HZ LYS 20 4.256 6.983 -2.030 162 2HZ LYS 20 3HZ LYS 20 5.587 6.786 -1.045 163 3HZ LYS 20 2HZ LYS 20 5.099 5.528 -2.080 164 H TRP 21 H TRP 21 4.148 3.396 -4.017 165 HA TRP 21 HA TRP 21 3.821 2.972 -6.957 166 1HB TRP 21 2HB TRP 21 5.580 1.517 -4.912 167 2HB TRP 21 1HB TRP 21 5.364 0.985 -6.567 168 HD1 TRP 21 HD1 TRP 21 6.903 3.917 -4.544 169 HE1 TRP 21 HE1 TRP 21 8.576 4.996 -6.139 170 HE3 TRP 21 HE3 TRP 21 6.001 1.279 -8.746 171 HZ2 TRP 21 HZ2 TRP 21 9.528 4.754 -8.787 172 HZ3 TRP 21 HZ3 TRP 21 7.321 1.657 -10.798 173 HH2 TRP 21 HH2 TRP 21 9.080 3.384 -10.843 174 H TYR 22 H TYR 22 2.401 1.379 -7.544 175 HA TYR 22 HA TYR 22 1.269 -0.382 -5.378 176 1HB TYR 22 2HB TYR 22 -0.979 0.356 -5.856 177 2HB TYR 22 1HB TYR 22 -0.115 1.811 -6.262 178 HD1 TYR 22 HD1 TYR 22 0.271 2.461 -8.587 179 HD2 TYR 22 HD2 TYR 22 -1.722 -1.181 -7.657 180 HE1 TYR 22 HE1 TYR 22 -0.495 2.170 -10.956 181 HE2 TYR 22 HE2 TYR 22 -2.452 -1.414 -9.969 182 HH TYR 22 HH TYR 22 -1.351 -0.224 -12.403 183 H TYR 23 H TYR 23 0.220 -2.199 -6.216 184 HA TYR 23 HA TYR 23 1.668 -3.413 -8.487 185 1HB TYR 23 2HB TYR 23 1.516 -4.426 -6.235 186 2HB TYR 23 1HB TYR 23 -0.229 -4.508 -6.407 187 HD1 TYR 23 HD1 TYR 23 2.931 -5.895 -7.724 188 HD2 TYR 23 HD2 TYR 23 -1.311 -6.071 -7.820 189 HE1 TYR 23 HE1 TYR 23 3.023 -8.055 -8.953 190 HE2 TYR 23 HE2 TYR 23 -1.188 -8.219 -9.054 191 HH TYR 23 HH TYR 23 0.999 -10.090 -9.006 192 H ASP 24 H ASP 24 0.726 -3.628 -10.485 193 HA ASP 24 HA ASP 24 -2.228 -3.202 -10.611 194 1HB ASP 24 2HB ASP 24 -0.598 -1.692 -11.853 195 2HB ASP 24 1HB ASP 24 -0.532 -2.959 -13.044 196 HA PRO 25 HA PRO 25 -2.160 -7.840 -11.706 197 1HB PRO 25 2HB PRO 25 -4.933 -7.431 -12.454 198 2HB PRO 25 1HB PRO 25 -4.313 -8.171 -10.978 199 1HG PRO 25 2HG PRO 25 -4.997 -5.212 -11.426 200 2HG PRO 25 1HG PRO 25 -5.364 -6.219 -10.022 201 1HD PRO 25 2HD PRO 25 -3.340 -4.582 -9.802 202 2HD PRO 25 1HD PRO 25 -3.031 -6.270 -9.349 203 H ASN 26 H ASN 26 -2.913 -5.043 -13.531 204 HA ASN 26 HA ASN 26 -3.287 -6.034 -16.174 205 1HB ASN 26 2HB ASN 26 -3.704 -3.636 -15.442 206 2HB ASN 26 1HB ASN 26 -1.996 -3.422 -15.164 207 1HD2 ASN 26 2HD2 ASN 26 -3.220 -2.643 -18.742 208 2HD2 ASN 26 1HD2 ASN 26 -4.259 -2.639 -17.385 209 H THR 27 H THR 27 -0.501 -5.022 -14.463 210 HA THR 27 HA THR 27 1.373 -6.107 -16.568 211 HB THR 27 HB THR 27 3.202 -4.891 -15.475 212 HG1 THR 27 HG1 THR 27 3.111 -4.694 -13.398 213 1HG2 THR 27 1HG2 THR 27 1.395 -3.260 -16.386 214 2HG2 THR 27 3HG2 THR 27 0.713 -3.264 -14.772 215 3HG2 THR 27 2HG2 THR 27 2.328 -2.648 -15.025 216 H LYS 28 H LYS 28 0.888 -6.296 -13.170 217 HA LYS 28 HA LYS 28 0.821 -7.958 -11.683 218 1HB LYS 28 2HB LYS 28 2.229 -9.692 -13.887 219 2HB LYS 28 1HB LYS 28 1.909 -10.268 -12.284 220 1HG LYS 28 2HG LYS 28 -0.323 -10.372 -12.447 221 2HG LYS 28 1HG LYS 28 -0.474 -8.989 -13.468 222 1HD LYS 28 2HD LYS 28 0.451 -11.814 -14.412 223 2HD LYS 28 1HD LYS 28 -1.159 -11.208 -14.680 224 1HE LYS 28 2HE LYS 28 1.425 -10.150 -15.876 225 2HE LYS 28 1HE LYS 28 0.124 -10.973 -16.713 226 1HZ LYS 28 3HZ LYS 28 -1.025 -8.778 -15.310 227 2HZ LYS 28 2HZ LYS 28 0.325 -8.215 -16.100 228 3HZ LYS 28 1HZ LYS 28 -0.906 -8.889 -16.972 229 H SER 29 H SER 29 2.573 -5.965 -12.131 230 HA SER 29 HA SER 29 4.693 -6.572 -10.260 231 1HB SER 29 2HB SER 29 6.391 -5.376 -11.758 232 2HB SER 29 1HB SER 29 5.605 -6.630 -12.713 233 HG SER 29 HG SER 29 5.369 -3.891 -12.878 234 H CYS 30 H CYS 30 5.524 -3.688 -10.374 235 HA CYS 30 HA CYS 30 2.941 -2.287 -9.818 236 1HB CYS 30 2HB CYS 30 5.564 -2.176 -8.310 237 2HB CYS 30 1HB CYS 30 4.157 -1.241 -7.906 238 H ALA 31 H ALA 31 2.930 -0.083 -9.753 239 HA ALA 31 HA ALA 31 4.852 1.438 -11.418 240 1HB ALA 31 3HB ALA 31 1.824 1.243 -11.933 241 2HB ALA 31 2HB ALA 31 2.919 2.295 -12.825 242 3HB ALA 31 1HB ALA 31 3.087 0.556 -12.941 243 H ARG 32 H ARG 32 3.956 3.789 -11.413 244 HA ARG 32 HA ARG 32 3.724 4.642 -8.631 245 1HB ARG 32 2HB ARG 32 4.445 5.999 -11.159 246 2HB ARG 32 1HB ARG 32 4.562 6.794 -9.565 247 1HG ARG 32 2HG ARG 32 6.268 5.169 -8.879 248 2HG ARG 32 1HG ARG 32 6.039 4.233 -10.330 249 1HD ARG 32 2HD ARG 32 8.032 5.547 -10.694 250 2HD ARG 32 1HD ARG 32 6.776 6.225 -11.708 251 HE ARG 32 HE ARG 32 7.405 7.349 -8.957 252 1HH1 ARG 32 1HH2 ARG 32 5.203 8.105 -10.696 253 2HH1 ARG 32 2HH2 ARG 32 5.687 9.648 -11.324 254 1HH2 ARG 32 2HH1 ARG 32 8.920 8.871 -10.300 255 2HH2 ARG 32 1HH1 ARG 32 7.990 10.117 -11.062 256 H PHE 33 H PHE 33 1.997 5.731 -7.711 257 HA PHE 33 HA PHE 33 0.214 7.316 -9.484 258 1HB PHE 33 2HB PHE 33 -1.731 6.028 -9.212 259 2HB PHE 33 1HB PHE 33 -0.519 4.780 -9.245 260 HD1 PHE 33 HD1 PHE 33 0.512 4.308 -6.698 261 HD2 PHE 33 HD2 PHE 33 -3.374 5.769 -7.634 262 HE1 PHE 33 HE1 PHE 33 -0.348 3.464 -4.539 263 HE2 PHE 33 HE2 PHE 33 -4.220 4.940 -5.497 264 HZ PHE 33 HZ PHE 33 -2.709 3.776 -3.949 265 H TRP 34 H TRP 34 -1.323 8.651 -8.431 266 HA TRP 34 HA TRP 34 -0.273 9.818 -5.918 267 1HB TRP 34 2HB TRP 34 -2.289 10.698 -8.081 268 2HB TRP 34 1HB TRP 34 -2.368 11.432 -6.543 269 HD1 TRP 34 HD1 TRP 34 -0.902 11.676 -9.534 270 HE1 TRP 34 HE1 TRP 34 1.087 13.377 -9.444 271 HE3 TRP 34 HE3 TRP 34 -0.213 12.074 -4.490 272 HZ2 TRP 34 HZ2 TRP 34 2.645 14.689 -7.617 273 HZ3 TRP 34 HZ3 TRP 34 1.492 13.633 -3.666 274 HH2 TRP 34 HH2 TRP 34 2.930 14.908 -5.167 275 H TYR 35 H TYR 35 -0.839 7.890 -4.753 276 HA TYR 35 HA TYR 35 -3.120 6.663 -4.058 277 1HB TYR 35 2HB TYR 35 -1.005 6.371 -2.815 278 2HB TYR 35 1HB TYR 35 -1.180 7.939 -2.027 279 HD1 TYR 35 HD1 TYR 35 -4.059 5.709 -2.600 280 HD2 TYR 35 HD2 TYR 35 -1.199 6.928 0.298 281 HE1 TYR 35 HE1 TYR 35 -5.323 4.610 -0.908 282 HE2 TYR 35 HE2 TYR 35 -2.518 5.775 2.036 283 HH TYR 35 HH TYR 35 -5.236 3.759 1.053 284 H GLY 36 H GLY 36 -2.602 9.925 -3.242 285 1HA GLY 36 2HA GLY 36 -4.168 11.250 -1.658 286 2HA GLY 36 1HA GLY 36 -4.585 11.505 -3.333 287 H GLY 37 H GLY 37 -5.356 9.830 -0.510 288 1HA GLY 37 2HA GLY 37 -8.179 9.317 -1.408 289 2HA GLY 37 1HA GLY 37 -7.222 8.152 -0.520 290 H CYS 38 H CYS 38 -8.364 7.976 1.128 291 HA CYS 38 HA CYS 38 -8.334 9.972 3.320 292 1HB CYS 38 2HB CYS 38 -10.728 9.443 1.834 293 2HB CYS 38 1HB CYS 38 -10.909 8.594 3.342 294 H GLY 39 H GLY 39 -8.343 6.763 2.138 295 1HA GLY 39 2HA GLY 39 -6.903 5.193 3.631 296 2HA GLY 39 1HA GLY 39 -8.146 5.491 4.842 297 H GLY 40 H GLY 40 -7.315 3.618 2.109 298 1HA GLY 40 2HA GLY 40 -10.053 2.320 2.189 299 2HA GLY 40 1HA GLY 40 -9.175 2.489 0.701 300 H ASN 41 H ASN 41 -7.228 1.160 0.536 301 HA ASN 41 HA ASN 41 -7.538 -1.464 1.990 302 1HB ASN 41 2HB ASN 41 -7.288 -2.652 -0.151 303 2HB ASN 41 1HB ASN 41 -8.445 -1.362 -0.376 304 1HD2 ASN 41 2HD2 ASN 41 -6.682 -0.316 -3.156 305 2HD2 ASN 41 1HD2 ASN 41 -8.177 -0.632 -2.438 306 H GLU 42 H GLU 42 -5.504 -2.818 0.610 307 HA GLU 42 HA GLU 42 -3.191 -2.250 2.294 308 1HB GLU 42 2HB GLU 42 -3.384 -4.362 0.091 309 2HB GLU 42 1HB GLU 42 -2.461 -4.414 1.567 310 1HG GLU 42 2HG GLU 42 -4.472 -4.727 2.930 311 2HG GLU 42 1HG GLU 42 -5.548 -4.443 1.587 312 H ASN 43 H ASN 43 -3.515 -2.572 -1.102 313 HA ASN 43 HA ASN 43 -1.052 -2.057 -2.178 314 1HB ASN 43 2HB ASN 43 -2.797 -2.972 -3.313 315 2HB ASN 43 1HB ASN 43 -3.853 -1.565 -3.222 316 1HD2 ASN 43 2HD2 ASN 43 -2.689 -0.663 -6.337 317 2HD2 ASN 43 1HD2 ASN 43 -4.016 -0.754 -5.291 318 H LYS 44 H LYS 44 0.148 -0.432 -1.230 319 HA LYS 44 HA LYS 44 0.753 1.810 -2.930 320 1HB LYS 44 2HB LYS 44 0.158 3.796 -1.627 321 2HB LYS 44 1HB LYS 44 -1.273 2.926 -2.007 322 1HG LYS 44 2HG LYS 44 0.133 2.915 0.744 323 2HG LYS 44 1HG LYS 44 -1.226 3.915 0.327 324 1HD LYS 44 2HD LYS 44 -1.171 0.922 0.256 325 2HD LYS 44 1HD LYS 44 -1.863 1.843 1.564 326 1HE LYS 44 2HE LYS 44 -3.458 2.879 0.016 327 2HE LYS 44 1HE LYS 44 -2.876 1.936 -1.325 328 1HZ LYS 44 2HZ LYS 44 -3.360 0.257 0.931 329 2HZ LYS 44 1HZ LYS 44 -4.690 1.209 0.626 330 3HZ LYS 44 3HZ LYS 44 -4.164 0.222 -0.594 331 H PHE 45 H PHE 45 2.772 1.228 -2.776 332 HA PHE 45 HA PHE 45 4.341 1.261 -0.261 333 1HB PHE 45 2HB PHE 45 4.999 0.179 -3.022 334 2HB PHE 45 1HB PHE 45 5.879 -0.214 -1.565 335 HD1 PHE 45 HD2 PHE 45 4.675 -1.446 0.288 336 HD2 PHE 45 HD1 PHE 45 2.949 -0.956 -3.570 337 HE1 PHE 45 HE2 PHE 45 3.104 -3.285 0.743 338 HE2 PHE 45 HE1 PHE 45 1.410 -2.792 -3.123 339 HZ PHE 45 HZ PHE 45 1.465 -3.934 -0.954 340 H GLY 46 H GLY 46 6.625 1.742 -0.484 341 1HA GLY 46 2HA GLY 46 7.074 4.596 -1.149 342 2HA GLY 46 1HA GLY 46 8.233 3.532 -0.373 343 H SER 47 H SER 47 8.209 1.553 -2.372 344 HA SER 47 HA SER 47 9.294 2.863 -4.827 345 1HB SER 47 2HB SER 47 10.885 1.011 -3.075 346 2HB SER 47 1HB SER 47 11.366 1.531 -4.708 347 HG SER 47 HG SER 47 10.512 3.703 -3.291 348 H GLN 48 H GLN 48 9.355 1.478 -6.732 349 HA GLN 48 HA GLN 48 7.286 -0.362 -7.011 350 1HB GLN 48 2HB GLN 48 8.892 0.591 -8.892 351 2HB GLN 48 1HB GLN 48 9.980 -0.701 -8.482 352 1HG GLN 48 2HG GLN 48 8.055 -2.387 -8.895 353 2HG GLN 48 1HG GLN 48 7.107 -1.049 -9.503 354 1HE2 GLN 48 2HE2 GLN 48 9.316 -2.839 -12.072 355 2HE2 GLN 48 1HE2 GLN 48 8.675 -3.560 -10.671 356 H LYS 49 H LYS 49 10.577 -1.201 -6.634 357 HA LYS 49 HA LYS 49 10.275 -3.948 -6.249 358 1HB LYS 49 2HB LYS 49 12.583 -3.113 -6.363 359 2HB LYS 49 1HB LYS 49 12.308 -1.867 -5.168 360 1HG LYS 49 2HG LYS 49 12.228 -4.805 -4.347 361 2HG LYS 49 1HG LYS 49 13.771 -4.008 -4.548 362 1HD LYS 49 2HD LYS 49 13.355 -2.410 -2.782 363 2HD LYS 49 1HD LYS 49 11.639 -2.678 -2.746 364 1HE LYS 49 2HE LYS 49 12.040 -4.984 -1.874 365 2HE LYS 49 1HE LYS 49 13.768 -4.630 -1.814 366 1HZ LYS 49 2HZ LYS 49 12.276 -2.481 -0.576 367 2HZ LYS 49 1HZ LYS 49 11.738 -3.823 0.069 368 3HZ LYS 49 3HZ LYS 49 13.373 -3.480 0.192 369 H GLU 50 H GLU 50 9.566 -1.594 -3.762 370 HA GLU 50 HA GLU 50 9.450 -3.540 -1.751 371 1HB GLU 50 2HB GLU 50 9.591 -1.050 -1.567 372 2HB GLU 50 1HB GLU 50 7.822 -1.070 -1.757 373 1HG GLU 50 2HG GLU 50 8.487 -1.227 0.737 374 2HG GLU 50 1HG GLU 50 7.762 -2.749 0.246 375 H CYS 51 H CYS 51 7.149 -2.068 -3.746 376 HA CYS 51 HA CYS 51 4.706 -3.393 -3.009 377 1HB CYS 51 2HB CYS 51 4.935 -1.273 -4.393 378 2HB CYS 51 1HB CYS 51 5.629 -2.222 -5.658 379 H GLU 52 H GLU 52 6.992 -4.029 -5.626 380 HA GLU 52 HA GLU 52 5.783 -6.417 -6.643 381 1HB GLU 52 2HB GLU 52 8.065 -4.787 -7.137 382 2HB GLU 52 1HB GLU 52 8.795 -6.291 -6.622 383 1HG GLU 52 2HG GLU 52 8.275 -7.291 -8.664 384 2HG GLU 52 1HG GLU 52 6.610 -6.756 -8.607 385 H LYS 53 H LYS 53 8.298 -5.959 -4.195 386 HA LYS 53 HA LYS 53 8.376 -8.682 -3.335 387 1HB LYS 53 2HB LYS 53 10.069 -6.874 -3.078 388 2HB LYS 53 1HB LYS 53 9.140 -6.031 -1.902 389 1HG LYS 53 2HG LYS 53 10.330 -8.860 -1.621 390 2HG LYS 53 1HG LYS 53 11.179 -7.449 -1.087 391 1HD LYS 53 2HD LYS 53 8.785 -8.825 0.253 392 2HD LYS 53 1HD LYS 53 10.352 -8.519 0.844 393 1HE LYS 53 2HE LYS 53 8.749 -7.073 1.981 394 2HE LYS 53 1HE LYS 53 10.017 -6.181 1.171 395 1HZ LYS 53 2HZ LYS 53 7.902 -6.616 -0.648 396 2HZ LYS 53 1HZ LYS 53 7.212 -5.971 0.724 397 3HZ LYS 53 3HZ LYS 53 8.445 -5.127 -0.045 398 H VAL 54 H VAL 54 5.507 -7.136 -3.173 399 HA VAL 54 HA VAL 54 4.781 -8.310 -0.518 400 HB VAL 54 HB VAL 54 3.843 -5.901 -2.138 401 1HG1 VAL 54 1HG1 VAL 54 2.578 -7.219 0.378 402 2HG1 VAL 54 3HG1 VAL 54 2.015 -5.724 -0.325 403 3HG1 VAL 54 2HG1 VAL 54 1.828 -7.227 -1.203 404 1HG2 VAL 54 1HG2 VAL 54 4.762 -6.318 0.756 405 2HG2 VAL 54 3HG2 VAL 54 5.722 -5.647 -0.563 406 3HG2 VAL 54 2HG2 VAL 54 4.345 -4.774 0.037 407 H CYS 55 H CYS 55 4.007 -7.888 -3.862 408 HA CYS 55 HA CYS 55 2.122 -10.247 -3.767 409 1HB CYS 55 2HB CYS 55 0.971 -8.303 -4.647 410 2HB CYS 55 1HB CYS 55 2.285 -7.926 -5.737 411 H ALA 56 H ALA 56 4.752 -8.904 -5.742 412 HA ALA 56 HA ALA 56 4.921 -11.215 -7.487 413 1HB ALA 56 2HB ALA 56 5.628 -8.923 -8.174 414 2HB ALA 56 1HB ALA 56 6.887 -8.949 -6.949 415 3HB ALA 56 3HB ALA 56 6.984 -10.036 -8.307 416 HA PRO 57 HA PRO 57 6.876 -13.261 -4.006 417 1HB PRO 57 2HB PRO 57 6.033 -15.752 -4.386 418 2HB PRO 57 1HB PRO 57 4.830 -14.449 -4.246 419 1HG PRO 57 2HG PRO 57 6.045 -15.587 -6.840 420 2HG PRO 57 1HG PRO 57 4.327 -15.520 -6.426 421 1HD PRO 57 2HD PRO 57 5.548 -13.505 -7.886 422 2HD PRO 57 1HD PRO 57 4.215 -13.169 -6.762 423 H VAL 58 HN VAL 58 8.979 -12.607 -4.877 424 HA VAL 58 HA VAL 58 10.662 -14.955 -5.560 425 HB VAL 58 HB VAL 58 12.117 -13.237 -6.918 426 1HG1 VAL 58 3HG1 VAL 58 10.418 -14.729 -8.065 427 2HG1 VAL 58 2HG1 VAL 58 9.189 -13.506 -7.800 428 3HG1 VAL 58 1HG1 VAL 58 10.541 -13.171 -8.881 429 1HG2 VAL 58 1HG2 VAL 58 11.238 -11.244 -5.781 430 2HG2 VAL 58 3HG2 VAL 58 11.044 -11.085 -7.526 431 3HG2 VAL 58 2HG2 VAL 58 9.663 -11.476 -6.507 No H/Q in entry = 431 Start of MODEL 20 1 1H GLU 1 2H GLU 1 -4.000 -16.365 2.923 2 2H GLU 1 1H GLU 1 -3.590 -16.732 4.479 3 3H GLU 1 3H GLU 1 -5.204 -16.743 4.102 4 HA GLU 1 HA GLU 1 -5.199 -14.582 4.866 5 1HB GLU 1 2HB GLU 1 -2.935 -13.469 5.387 6 2HB GLU 1 1HB GLU 1 -3.038 -15.070 6.096 7 1HG GLU 1 2HG GLU 1 -1.462 -14.296 3.526 8 2HG GLU 1 1HG GLU 1 -0.807 -14.939 5.006 9 H THR 2 H THR 2 -6.091 -14.650 2.557 10 HA THR 2 HA THR 2 -6.540 -13.589 0.506 11 HB THR 2 HB THR 2 -6.510 -11.110 0.511 12 HG1 THR 2 HG1 THR 2 -4.302 -11.567 2.038 13 1HG2 THR 2 2HG2 THR 2 -8.073 -12.120 2.300 14 2HG2 THR 2 1HG2 THR 2 -6.723 -11.959 3.429 15 3HG2 THR 2 3HG2 THR 2 -7.400 -10.542 2.670 16 H ASP 3 H ASP 3 -5.961 -12.402 -1.354 17 HA ASP 3 HA ASP 3 -3.059 -12.521 -1.983 18 1HB ASP 3 2HB ASP 3 -3.943 -13.253 -4.248 19 2HB ASP 3 1HB ASP 3 -4.333 -14.344 -2.934 20 H ILE 4 H ILE 4 -3.132 -10.341 -1.171 21 HA ILE 4 HA ILE 4 -4.289 -7.998 -1.962 22 HB ILE 4 HB ILE 4 -2.188 -6.884 -1.560 23 1HG1 ILE 4 2HG1 ILE 4 -0.280 -8.603 -0.656 24 2HG1 ILE 4 1HG1 ILE 4 -0.985 -9.652 -1.857 25 1HG2 ILE 4 1HG2 ILE 4 -3.534 -7.582 0.364 26 2HG2 ILE 4 3HG2 ILE 4 -2.761 -9.152 0.400 27 3HG2 ILE 4 2HG2 ILE 4 -1.844 -7.711 0.776 28 1HD1 ILE 4 2HD1 ILE 4 0.121 -6.850 -2.394 29 2HD1 ILE 4 1HD1 ILE 4 0.893 -8.372 -2.792 30 3HD1 ILE 4 3HD1 ILE 4 -0.573 -7.897 -3.621 31 H CYS 5 H CYS 5 -2.322 -9.886 -3.866 32 HA CYS 5 HA CYS 5 -1.450 -8.292 -6.018 33 1HB CYS 5 2HB CYS 5 -2.268 -11.187 -5.841 34 2HB CYS 5 1HB CYS 5 -1.653 -10.500 -7.320 35 H LYS 6 H LYS 6 -4.606 -9.334 -5.360 36 HA LYS 6 HA LYS 6 -5.591 -8.417 -8.072 37 1HB LYS 6 2HB LYS 6 -7.147 -9.913 -5.941 38 2HB LYS 6 1HB LYS 6 -7.697 -9.550 -7.566 39 1HG LYS 6 2HG LYS 6 -5.652 -10.959 -8.362 40 2HG LYS 6 1HG LYS 6 -5.557 -11.546 -6.719 41 1HD LYS 6 2HD LYS 6 -7.849 -11.882 -8.745 42 2HD LYS 6 1HD LYS 6 -7.005 -13.141 -7.878 43 1HE LYS 6 2HE LYS 6 -9.044 -11.225 -6.661 44 2HE LYS 6 1HE LYS 6 -9.248 -12.951 -6.964 45 1HZ LYS 6 1HZ LYS 6 -6.819 -12.605 -5.600 46 2HZ LYS 6 3HZ LYS 6 -7.879 -11.799 -4.680 47 3HZ LYS 6 2HZ LYS 6 -8.046 -13.410 -5.017 48 H LEU 7 H LEU 7 -4.990 -6.766 -5.468 49 HA LEU 7 HA LEU 7 -7.557 -5.437 -5.342 50 1HB LEU 7 2HB LEU 7 -5.117 -5.118 -3.540 51 2HB LEU 7 1HB LEU 7 -6.686 -4.432 -3.207 52 HG LEU 7 HG LEU 7 -6.019 -7.397 -3.337 53 1HD1 LEU 7 2HD1 LEU 7 -5.216 -6.140 -1.288 54 2HD1 LEU 7 1HD1 LEU 7 -6.834 -5.538 -1.034 55 3HD1 LEU 7 3HD1 LEU 7 -6.507 -7.251 -0.865 56 1HD2 LEU 7 2HD2 LEU 7 -8.637 -5.980 -2.610 57 2HD2 LEU 7 1HD2 LEU 7 -8.374 -6.930 -4.063 58 3HD2 LEU 7 3HD2 LEU 7 -8.351 -7.706 -2.497 59 HA PRO 8 HA PRO 8 -5.634 -2.021 -7.459 60 1HB PRO 8 2HB PRO 8 -7.825 -0.583 -7.844 61 2HB PRO 8 1HB PRO 8 -7.900 -2.316 -8.207 62 1HG PRO 8 2HG PRO 8 -8.858 -0.873 -5.667 63 2HG PRO 8 1HG PRO 8 -9.710 -2.104 -6.596 64 1HD PRO 8 2HD PRO 8 -7.982 -2.571 -4.313 65 2HD PRO 8 1HD PRO 8 -8.669 -3.806 -5.397 66 H LYS 9 H LYS 9 -6.070 0.356 -7.448 67 HA LYS 9 HA LYS 9 -4.745 1.545 -5.034 68 1HB LYS 9 2HB LYS 9 -3.496 1.941 -6.983 69 2HB LYS 9 1HB LYS 9 -4.869 2.049 -8.041 70 1HG LYS 9 2HG LYS 9 -4.130 4.137 -5.993 71 2HG LYS 9 1HG LYS 9 -3.451 4.165 -7.599 72 1HD LYS 9 2HD LYS 9 -6.382 4.459 -6.802 73 2HD LYS 9 1HD LYS 9 -5.401 5.715 -7.460 74 1HE LYS 9 2HE LYS 9 -6.340 5.198 -9.443 75 2HE LYS 9 1HE LYS 9 -5.332 3.760 -9.469 76 1HZ LYS 9 3HZ LYS 9 -7.623 3.409 -7.737 77 2HZ LYS 9 2HZ LYS 9 -8.135 3.971 -9.134 78 3HZ LYS 9 1HZ LYS 9 -7.306 2.496 -9.145 79 H ASP 10 H ASP 10 -5.872 3.258 -3.827 80 HA ASP 10 HA ASP 10 -8.719 3.643 -4.625 81 1HB ASP 10 2HB ASP 10 -7.853 4.249 -1.783 82 2HB ASP 10 1HB ASP 10 -9.223 3.317 -2.313 83 H GLU 11 H GLU 11 -7.207 5.476 -5.834 84 HA GLU 11 HA GLU 11 -6.431 7.987 -5.038 85 1HB GLU 11 2HB GLU 11 -7.670 8.951 -7.249 86 2HB GLU 11 1HB GLU 11 -6.813 7.492 -7.614 87 1HG GLU 11 2HG GLU 11 -9.728 7.221 -6.813 88 2HG GLU 11 1HG GLU 11 -9.338 7.838 -8.395 89 H GLY 12 H GLY 12 -9.802 7.262 -4.847 90 1HA GLY 12 2HA GLY 12 -10.349 10.046 -3.878 91 2HA GLY 12 1HA GLY 12 -11.585 8.797 -4.077 92 H THR 13 H THR 13 -12.372 9.313 -1.973 93 HA THR 13 HA THR 13 -12.539 8.880 0.381 94 HB THR 13 HB THR 13 -10.126 7.007 0.197 95 HG1 THR 13 HG1 THR 13 -11.207 6.192 -1.389 96 1HG2 THR 13 3HG2 THR 13 -11.604 7.235 2.322 97 2HG2 THR 13 2HG2 THR 13 -12.957 6.727 1.315 98 3HG2 THR 13 1HG2 THR 13 -11.621 5.632 1.591 99 H CYS 14 H CYS 14 -11.747 11.035 0.417 100 HA CYS 14 HA CYS 14 -10.847 12.552 2.086 101 1HB CYS 14 2HB CYS 14 -8.400 10.680 2.005 102 2HB CYS 14 1HB CYS 14 -8.346 12.246 2.718 103 H ARG 15 H ARG 15 -8.783 14.150 1.832 104 HA ARG 15 HA ARG 15 -8.324 14.593 -1.123 105 1HB ARG 15 2HB ARG 15 -10.123 15.976 -0.654 106 2HB ARG 15 1HB ARG 15 -9.683 16.253 1.000 107 1HG ARG 15 2HG ARG 15 -7.863 17.548 -1.057 108 2HG ARG 15 1HG ARG 15 -9.498 18.123 -1.020 109 1HD ARG 15 2HD ARG 15 -7.859 19.341 0.568 110 2HD ARG 15 1HD ARG 15 -9.387 18.822 1.284 111 HE ARG 15 HE ARG 15 -7.975 16.666 2.030 112 1HH1 ARG 15 2HH1 ARG 15 -5.621 17.620 0.831 113 2HH1 ARG 15 1HH1 ARG 15 -4.727 17.941 2.300 114 1HH2 ARG 15 1HH2 ARG 15 -7.637 18.196 4.028 115 2HH2 ARG 15 2HH2 ARG 15 -5.901 18.202 4.136 116 H ASP 16 H ASP 16 -6.502 13.585 0.994 117 HA ASP 16 HA ASP 16 -4.275 15.548 0.771 118 1HB ASP 16 2HB ASP 16 -4.940 13.392 2.856 119 2HB ASP 16 1HB ASP 16 -3.593 14.498 2.970 120 H PHE 17 H PHE 17 -3.555 14.854 -1.270 121 HA PHE 17 HA PHE 17 -2.781 11.991 -1.576 122 1HB PHE 17 2HB PHE 17 -2.568 14.129 -3.743 123 2HB PHE 17 1HB PHE 17 -2.567 12.415 -3.936 124 HD1 PHE 17 HD2 PHE 17 -5.071 12.418 -1.625 125 HD2 PHE 17 HD1 PHE 17 -4.320 13.876 -5.549 126 HE1 PHE 17 HE2 PHE 17 -7.460 12.362 -2.095 127 HE2 PHE 17 HE1 PHE 17 -6.734 13.824 -6.012 128 HZ PHE 17 HZ PHE 17 -8.300 13.061 -4.281 129 H ILE 18 H ILE 18 -0.918 11.260 -2.080 130 HA ILE 18 HA ILE 18 1.583 12.870 -2.141 131 HB ILE 18 HB ILE 18 1.022 12.186 0.255 132 1HG1 ILE 18 2HG1 ILE 18 3.478 12.385 -0.795 133 2HG1 ILE 18 1HG1 ILE 18 3.195 11.973 0.868 134 1HG2 ILE 18 2HG2 ILE 18 1.446 9.321 -0.712 135 2HG2 ILE 18 1HG2 ILE 18 1.331 9.825 0.965 136 3HG2 ILE 18 3HG2 ILE 18 -0.052 10.005 -0.087 137 1HD1 ILE 18 1HD1 ILE 18 3.794 9.873 -1.297 138 2HD1 ILE 18 3HD1 ILE 18 4.927 10.496 -0.124 139 3HD1 ILE 18 2HD1 ILE 18 3.548 9.567 0.406 140 H LEU 19 H LEU 19 3.483 11.146 -2.662 141 HA LEU 19 HA LEU 19 2.367 9.592 -4.945 142 1HB LEU 19 2HB LEU 19 5.151 10.560 -4.235 143 2HB LEU 19 1HB LEU 19 4.997 9.306 -5.426 144 HG LEU 19 HG LEU 19 3.781 12.154 -5.647 145 1HD1 LEU 19 1HD1 LEU 19 6.201 12.043 -6.131 146 2HD1 LEU 19 3HD1 LEU 19 5.898 10.783 -7.320 147 3HD1 LEU 19 2HD1 LEU 19 5.249 12.392 -7.560 148 1HD2 LEU 19 2HD2 LEU 19 3.637 9.870 -7.682 149 2HD2 LEU 19 1HD2 LEU 19 2.263 10.474 -6.773 150 3HD2 LEU 19 3HD2 LEU 19 3.066 11.509 -7.912 151 H LYS 20 H LYS 20 2.299 7.440 -5.069 152 HA LYS 20 HA LYS 20 3.984 5.790 -3.262 153 1HB LYS 20 2HB LYS 20 0.948 5.441 -3.565 154 2HB LYS 20 1HB LYS 20 1.910 4.464 -2.496 155 1HG LYS 20 2HG LYS 20 2.026 7.464 -1.950 156 2HG LYS 20 1HG LYS 20 0.457 6.781 -1.884 157 1HD LYS 20 2HD LYS 20 1.762 6.891 0.336 158 2HD LYS 20 1HD LYS 20 0.910 5.418 -0.033 159 1HE LYS 20 2HE LYS 20 3.250 5.196 0.956 160 2HE LYS 20 1HE LYS 20 2.860 4.210 -0.437 161 1HZ LYS 20 3HZ LYS 20 3.835 6.706 -1.419 162 2HZ LYS 20 2HZ LYS 20 4.922 6.195 -0.247 163 3HZ LYS 20 1HZ LYS 20 4.513 5.168 -1.532 164 H TRP 21 H TRP 21 3.750 3.268 -3.833 165 HA TRP 21 HA TRP 21 3.610 3.082 -6.818 166 1HB TRP 21 2HB TRP 21 5.116 1.375 -4.723 167 2HB TRP 21 1HB TRP 21 4.957 0.899 -6.398 168 HD1 TRP 21 HD1 TRP 21 6.663 3.512 -4.157 169 HE1 TRP 21 HE1 TRP 21 8.509 4.550 -5.598 170 HE3 TRP 21 HE3 TRP 21 5.724 1.305 -8.558 171 HZ2 TRP 21 HZ2 TRP 21 9.566 4.400 -8.228 172 HZ3 TRP 21 HZ3 TRP 21 7.140 1.693 -10.541 173 HH2 TRP 21 HH2 TRP 21 9.074 3.234 -10.406 174 H TYR 22 H TYR 22 2.132 1.517 -7.540 175 HA TYR 22 HA TYR 22 0.599 0.062 -5.421 176 1HB TYR 22 2HB TYR 22 -1.364 1.205 -6.090 177 2HB TYR 22 1HB TYR 22 -0.275 2.302 -6.871 178 HD1 TYR 22 HD1 TYR 22 0.237 2.077 -9.363 179 HD2 TYR 22 HD2 TYR 22 -2.686 -0.243 -7.359 180 HE1 TYR 22 HE1 TYR 22 -0.836 1.469 -11.559 181 HE2 TYR 22 HE2 TYR 22 -3.714 -0.831 -9.558 182 HH TYR 22 HH TYR 22 -2.390 -0.502 -12.419 183 H TYR 23 H TYR 23 -0.363 -1.866 -6.098 184 HA TYR 23 HA TYR 23 1.218 -3.214 -8.202 185 1HB TYR 23 2HB TYR 23 0.681 -4.227 -5.923 186 2HB TYR 23 1HB TYR 23 -0.993 -4.377 -6.487 187 HD1 TYR 23 HD1 TYR 23 2.460 -5.254 -7.672 188 HD2 TYR 23 HD2 TYR 23 -1.677 -6.234 -7.686 189 HE1 TYR 23 HE1 TYR 23 2.936 -7.261 -9.005 190 HE2 TYR 23 HE2 TYR 23 -1.187 -8.234 -9.016 191 HH TYR 23 HH TYR 23 2.125 -9.044 -9.825 192 H ASP 24 H ASP 24 0.574 -3.668 -10.091 193 HA ASP 24 HA ASP 24 -2.201 -3.106 -10.995 194 1HB ASP 24 2HB ASP 24 -0.437 -1.705 -11.713 195 2HB ASP 24 1HB ASP 24 0.496 -3.059 -12.358 196 HA PRO 25 HA PRO 25 -2.126 -7.751 -11.063 197 1HB PRO 25 2HB PRO 25 -4.927 -7.781 -11.633 198 2HB PRO 25 1HB PRO 25 -4.232 -7.857 -10.007 199 1HG PRO 25 2HG PRO 25 -5.054 -5.353 -11.582 200 2HG PRO 25 1HG PRO 25 -5.551 -5.803 -9.944 201 1HD PRO 25 2HD PRO 25 -3.573 -4.100 -10.137 202 2HD PRO 25 1HD PRO 25 -3.243 -5.505 -9.109 203 H ASN 26 H ASN 26 -2.997 -5.527 -13.480 204 HA ASN 26 HA ASN 26 -3.342 -7.434 -15.672 205 1HB ASN 26 2HB ASN 26 -3.120 -4.384 -15.499 206 2HB ASN 26 1HB ASN 26 -3.487 -5.235 -16.986 207 1HD2 ASN 26 2HD2 ASN 26 -6.838 -5.172 -16.069 208 2HD2 ASN 26 1HD2 ASN 26 -5.691 -5.000 -17.326 209 H THR 27 H THR 27 -0.769 -5.404 -14.589 210 HA THR 27 HA THR 27 1.094 -6.296 -16.790 211 HB THR 27 HB THR 27 2.763 -4.717 -15.680 212 HG1 THR 27 HG1 THR 27 0.622 -3.944 -14.014 213 1HG2 THR 27 2HG2 THR 27 0.009 -3.384 -15.873 214 2HG2 THR 27 1HG2 THR 27 1.559 -2.579 -15.883 215 3HG2 THR 27 3HG2 THR 27 1.081 -3.603 -17.232 216 H LYS 28 H LYS 28 0.485 -6.395 -13.521 217 HA LYS 28 HA LYS 28 0.760 -7.754 -11.839 218 1HB LYS 28 2HB LYS 28 2.472 -9.449 -13.805 219 2HB LYS 28 1HB LYS 28 1.967 -10.049 -12.259 220 1HG LYS 28 2HG LYS 28 -0.381 -8.964 -13.581 221 2HG LYS 28 1HG LYS 28 0.486 -9.781 -14.807 222 1HD LYS 28 2HD LYS 28 -1.178 -11.410 -13.658 223 2HD LYS 28 1HD LYS 28 0.464 -11.976 -13.563 224 1HE LYS 28 2HE LYS 28 -0.846 -12.131 -11.407 225 2HE LYS 28 1HE LYS 28 0.688 -11.292 -11.254 226 1HZ LYS 28 3HZ LYS 28 -1.297 -9.466 -12.129 227 2HZ LYS 28 2HZ LYS 28 -1.849 -10.204 -10.697 228 3HZ LYS 28 1HZ LYS 28 -0.319 -9.460 -10.725 229 H SER 29 H SER 29 2.426 -5.675 -12.426 230 HA SER 29 HA SER 29 4.588 -6.260 -10.494 231 1HB SER 29 2HB SER 29 5.509 -6.105 -12.856 232 2HB SER 29 1HB SER 29 4.791 -4.494 -13.022 233 HG SER 29 HG SER 29 7.120 -5.140 -11.744 234 H CYS 30 H CYS 30 5.323 -3.342 -10.683 235 HA CYS 30 HA CYS 30 2.891 -2.096 -9.464 236 1HB CYS 30 2HB CYS 30 5.726 -1.951 -8.460 237 2HB CYS 30 1HB CYS 30 4.311 -1.269 -7.685 238 H ALA 31 H ALA 31 2.562 0.032 -9.743 239 HA ALA 31 HA ALA 31 4.407 1.589 -11.502 240 1HB ALA 31 2HB ALA 31 1.340 1.408 -11.586 241 2HB ALA 31 1HB ALA 31 2.288 2.437 -12.649 242 3HB ALA 31 3HB ALA 31 2.416 0.688 -12.756 243 H ARG 32 H ARG 32 3.658 3.937 -11.310 244 HA ARG 32 HA ARG 32 3.420 4.604 -8.451 245 1HB ARG 32 2HB ARG 32 5.088 5.509 -10.615 246 2HB ARG 32 1HB ARG 32 4.348 6.900 -9.818 247 1HG ARG 32 2HG ARG 32 5.166 6.028 -7.591 248 2HG ARG 32 1HG ARG 32 5.841 4.631 -8.383 249 1HD ARG 32 2HD ARG 32 6.784 7.522 -8.750 250 2HD ARG 32 1HD ARG 32 7.625 6.228 -7.905 251 HE ARG 32 HE ARG 32 7.559 4.930 -10.138 252 1HH1 ARG 32 2HH1 ARG 32 6.015 7.163 -11.199 253 2HH1 ARG 32 1HH1 ARG 32 7.101 7.896 -12.341 254 1HH2 ARG 32 1HH2 ARG 32 9.651 6.127 -10.749 255 2HH2 ARG 32 2HH2 ARG 32 9.376 7.242 -12.047 256 H PHE 33 H PHE 33 2.089 6.041 -7.606 257 HA PHE 33 HA PHE 33 0.351 7.697 -9.368 258 1HB PHE 33 2HB PHE 33 -1.718 6.617 -8.752 259 2HB PHE 33 1HB PHE 33 -0.601 5.306 -9.021 260 HD1 PHE 33 HD2 PHE 33 0.619 4.331 -6.962 261 HD2 PHE 33 HD1 PHE 33 -2.855 6.763 -6.673 262 HE1 PHE 33 HE2 PHE 33 0.141 3.400 -4.736 263 HE2 PHE 33 HE1 PHE 33 -3.328 5.820 -4.460 264 HZ PHE 33 HZ PHE 33 -1.820 4.153 -3.480 265 H TRP 34 H TRP 34 -1.111 9.121 -8.275 266 HA TRP 34 HA TRP 34 0.178 10.412 -5.929 267 1HB TRP 34 2HB TRP 34 -1.965 11.214 -8.030 268 2HB TRP 34 1HB TRP 34 -1.932 12.066 -6.557 269 HD1 TRP 34 HD1 TRP 34 -0.894 12.383 -9.692 270 HE1 TRP 34 HE1 TRP 34 1.117 14.046 -9.839 271 HE3 TRP 34 HE3 TRP 34 0.485 12.453 -4.924 272 HZ2 TRP 34 HZ2 TRP 34 3.009 15.255 -8.139 273 HZ3 TRP 34 HZ3 TRP 34 2.364 13.867 -4.128 274 HH2 TRP 34 HH2 TRP 34 3.633 15.263 -5.728 275 H TYR 35 H TYR 35 -0.519 8.448 -4.760 276 HA TYR 35 HA TYR 35 -1.890 7.385 -3.112 277 1HB TYR 35 2HB TYR 35 -1.194 9.506 -2.021 278 2HB TYR 35 1HB TYR 35 -2.571 10.320 -2.749 279 HD1 TYR 35 HD1 TYR 35 -1.772 7.560 -0.384 280 HD2 TYR 35 HD2 TYR 35 -4.715 10.440 -1.504 281 HE1 TYR 35 HE1 TYR 35 -3.037 7.117 1.689 282 HE2 TYR 35 HE2 TYR 35 -5.913 9.960 0.572 283 HH TYR 35 HH TYR 35 -5.145 7.333 2.613 284 H GLY 36 H GLY 36 -4.033 7.806 -2.003 285 1HA GLY 36 2HA GLY 36 -6.497 8.466 -2.708 286 2HA GLY 36 1HA GLY 36 -6.157 6.933 -3.573 287 H GLY 37 H GLY 37 -7.867 7.537 -1.162 288 1HA GLY 37 2HA GLY 37 -8.400 5.691 0.263 289 2HA GLY 37 1HA GLY 37 -6.760 5.161 0.154 290 H CYS 38 H CYS 38 -8.548 7.752 1.955 291 HA CYS 38 HA CYS 38 -6.918 8.414 4.004 292 1HB CYS 38 2HB CYS 38 -9.456 7.001 4.882 293 2HB CYS 38 1HB CYS 38 -8.736 8.452 5.495 294 H GLY 39 H GLY 39 -8.393 5.477 3.652 295 1HA GLY 39 2HA GLY 39 -6.420 3.807 5.214 296 2HA GLY 39 1HA GLY 39 -8.151 3.449 5.272 297 H GLY 40 H GLY 40 -9.127 3.154 3.010 298 1HA GLY 40 2HA GLY 40 -9.258 1.710 1.069 299 2HA GLY 40 1HA GLY 40 -7.747 2.473 0.611 300 H ASN 41 H ASN 41 -6.988 0.376 -0.258 301 HA ASN 41 HA ASN 41 -6.450 -1.664 1.929 302 1HB ASN 41 2HB ASN 41 -6.642 -3.361 0.266 303 2HB ASN 41 1HB ASN 41 -7.925 -2.221 -0.133 304 1HD2 ASN 41 2HD2 ASN 41 -6.259 -1.137 -3.049 305 2HD2 ASN 41 1HD2 ASN 41 -7.462 -0.667 -1.959 306 H GLU 42 H GLU 42 -4.726 -3.144 1.535 307 HA GLU 42 HA GLU 42 -2.245 -2.416 2.133 308 1HB GLU 42 2HB GLU 42 -2.541 -4.683 0.181 309 2HB GLU 42 1HB GLU 42 -1.547 -4.564 1.623 310 1HG GLU 42 2HG GLU 42 -4.511 -5.221 1.440 311 2HG GLU 42 1HG GLU 42 -3.260 -5.975 2.392 312 H ASN 43 H ASN 43 -3.150 -2.861 -1.157 313 HA ASN 43 HA ASN 43 -0.962 -2.707 -2.741 314 1HB ASN 43 2HB ASN 43 -3.399 -2.895 -3.462 315 2HB ASN 43 1HB ASN 43 -3.601 -1.206 -3.143 316 1HD2 ASN 43 2HD2 ASN 43 -2.520 -2.427 -6.722 317 2HD2 ASN 43 1HD2 ASN 43 -3.337 -3.368 -5.584 318 H LYS 44 H LYS 44 -1.613 0.008 -0.781 319 HA LYS 44 HA LYS 44 -0.129 1.938 -2.418 320 1HB LYS 44 2HB LYS 44 -0.834 2.163 0.535 321 2HB LYS 44 1HB LYS 44 -0.528 3.507 -0.541 322 1HG LYS 44 2HG LYS 44 -2.638 3.058 -1.763 323 2HG LYS 44 1HG LYS 44 -2.904 1.612 -0.821 324 1HD LYS 44 2HD LYS 44 -2.758 3.149 1.316 325 2HD LYS 44 1HD LYS 44 -2.787 4.514 0.219 326 1HE LYS 44 2HE LYS 44 -5.006 4.088 1.102 327 2HE LYS 44 1HE LYS 44 -4.966 3.790 -0.638 328 1HZ LYS 44 1HZ LYS 44 -4.172 1.391 0.615 329 2HZ LYS 44 3HZ LYS 44 -5.527 1.941 1.431 330 3HZ LYS 44 2HZ LYS 44 -5.540 1.716 -0.274 331 H PHE 45 H PHE 45 1.984 1.245 -2.734 332 HA PHE 45 HA PHE 45 3.684 0.698 -0.369 333 1HB PHE 45 2HB PHE 45 4.026 0.178 -3.336 334 2HB PHE 45 1HB PHE 45 5.199 -0.275 -2.117 335 HD1 PHE 45 HD1 PHE 45 4.378 -1.676 -0.186 336 HD2 PHE 45 HD2 PHE 45 2.256 -1.328 -3.839 337 HE1 PHE 45 HE1 PHE 45 3.238 -3.786 0.311 338 HE2 PHE 45 HE2 PHE 45 1.112 -3.445 -3.375 339 HZ PHE 45 HZ PHE 45 1.567 -4.681 -1.314 340 H GLY 46 H GLY 46 5.832 1.249 -0.399 341 1HA GLY 46 2HA GLY 46 6.435 4.145 -0.674 342 2HA GLY 46 1HA GLY 46 7.430 2.924 0.115 343 H SER 47 H SER 47 7.764 1.163 -1.847 344 HA SER 47 HA SER 47 9.150 2.553 -4.092 345 1HB SER 47 2HB SER 47 10.439 0.594 -2.228 346 2HB SER 47 1HB SER 47 11.079 0.920 -3.857 347 HG SER 47 HG SER 47 10.809 2.678 -1.692 348 H GLN 48 H GLN 48 9.598 1.357 -6.033 349 HA GLN 48 HA GLN 48 7.557 -0.397 -6.909 350 1HB GLN 48 2HB GLN 48 9.080 0.808 -8.468 351 2HB GLN 48 1HB GLN 48 10.441 -0.146 -7.951 352 1HG GLN 48 2HG GLN 48 8.787 -2.244 -8.703 353 2HG GLN 48 1HG GLN 48 8.051 -0.977 -9.649 354 1HE2 GLN 48 2HE2 GLN 48 11.210 -2.584 -11.165 355 2HE2 GLN 48 1HE2 GLN 48 10.371 -3.380 -9.905 356 H LYS 49 H LYS 49 10.844 -1.300 -6.350 357 HA LYS 49 HA LYS 49 10.399 -4.072 -6.425 358 1HB LYS 49 2HB LYS 49 12.601 -2.440 -5.006 359 2HB LYS 49 1HB LYS 49 12.688 -4.186 -5.138 360 1HG LYS 49 2HG LYS 49 12.018 -3.443 -7.772 361 2HG LYS 49 1HG LYS 49 12.998 -2.097 -7.262 362 1HD LYS 49 2HD LYS 49 14.958 -3.371 -6.974 363 2HD LYS 49 1HD LYS 49 14.099 -4.869 -6.702 364 1HE LYS 49 2HE LYS 49 14.182 -3.431 -9.390 365 2HE LYS 49 1HE LYS 49 15.225 -4.789 -8.956 366 1HZ LYS 49 1HZ LYS 49 12.545 -5.394 -8.208 367 2HZ LYS 49 3HZ LYS 49 12.417 -4.920 -9.723 368 3HZ LYS 49 2HZ LYS 49 13.402 -6.230 -9.328 369 H GLU 50 H GLU 50 9.732 -2.063 -3.736 370 HA GLU 50 HA GLU 50 9.657 -4.083 -1.759 371 1HB GLU 50 2HB GLU 50 9.882 -1.845 -1.136 372 2HB GLU 50 1HB GLU 50 8.550 -1.333 -2.163 373 1HG GLU 50 2HG GLU 50 6.994 -2.682 -0.543 374 2HG GLU 50 1HG GLU 50 8.379 -2.786 0.526 375 H CYS 51 H CYS 51 7.119 -2.294 -3.405 376 HA CYS 51 HA CYS 51 4.843 -3.891 -2.987 377 1HB CYS 51 2HB CYS 51 4.797 -1.732 -4.139 378 2HB CYS 51 1HB CYS 51 5.769 -2.350 -5.430 379 H GLU 52 H GLU 52 7.200 -4.181 -5.557 380 HA GLU 52 HA GLU 52 6.306 -6.470 -6.952 381 1HB GLU 52 2HB GLU 52 8.174 -4.786 -7.481 382 2HB GLU 52 1HB GLU 52 9.079 -5.486 -6.166 383 1HG GLU 52 2HG GLU 52 9.123 -7.718 -7.621 384 2HG GLU 52 1HG GLU 52 8.558 -6.677 -8.896 385 H LYS 53 H LYS 53 8.547 -6.362 -4.199 386 HA LYS 53 HA LYS 53 8.342 -9.270 -4.035 387 1HB LYS 53 2HB LYS 53 10.070 -7.161 -2.960 388 2HB LYS 53 1HB LYS 53 9.481 -8.073 -1.603 389 1HG LYS 53 2HG LYS 53 10.889 -9.793 -2.057 390 2HG LYS 53 1HG LYS 53 10.112 -10.089 -3.561 391 1HD LYS 53 2HD LYS 53 12.619 -8.442 -3.015 392 2HD LYS 53 1HD LYS 53 12.396 -9.798 -4.097 393 1HE LYS 53 2HE LYS 53 11.380 -6.991 -4.595 394 2HE LYS 53 1HE LYS 53 12.697 -7.820 -5.398 395 1HZ LYS 53 2HZ LYS 53 10.505 -9.507 -5.560 396 2HZ LYS 53 1HZ LYS 53 9.965 -7.987 -6.060 397 3HZ LYS 53 3HZ LYS 53 11.265 -8.732 -6.801 398 H VAL 54 H VAL 54 6.007 -7.212 -3.176 399 HA VAL 54 HA VAL 54 5.162 -8.692 -0.729 400 HB VAL 54 HB VAL 54 4.298 -6.136 -2.143 401 1HG1 VAL 54 2HG1 VAL 54 3.211 -7.504 0.419 402 2HG1 VAL 54 1HG1 VAL 54 2.680 -5.931 -0.118 403 3HG1 VAL 54 3HG1 VAL 54 2.296 -7.357 -1.066 404 1HG2 VAL 54 1HG2 VAL 54 6.339 -5.996 -0.706 405 2HG2 VAL 54 3HG2 VAL 54 5.044 -5.076 0.013 406 3HG2 VAL 54 2HG2 VAL 54 5.458 -6.661 0.648 407 H CYS 55 H CYS 55 4.308 -7.884 -4.013 408 HA CYS 55 HA CYS 55 2.201 -10.051 -4.055 409 1HB CYS 55 2HB CYS 55 1.243 -7.925 -4.831 410 2HB CYS 55 1HB CYS 55 2.583 -7.687 -5.922 411 H ALA 56 H ALA 56 4.905 -8.820 -6.041 412 HA ALA 56 HA ALA 56 4.753 -11.205 -7.773 413 1HB ALA 56 2HB ALA 56 5.257 -8.954 -8.712 414 2HB ALA 56 1HB ALA 56 6.690 -8.854 -7.702 415 3HB ALA 56 3HB ALA 56 6.624 -10.041 -8.975 416 HA PRO 57 HA PRO 57 7.238 -12.949 -4.433 417 1HB PRO 57 2HB PRO 57 6.611 -15.542 -4.650 418 2HB PRO 57 1HB PRO 57 5.330 -14.344 -4.347 419 1HG PRO 57 2HG PRO 57 6.275 -15.351 -7.107 420 2HG PRO 57 1HG PRO 57 4.650 -15.550 -6.435 421 1HD PRO 57 2HD PRO 57 5.178 -13.378 -7.997 422 2HD PRO 57 1HD PRO 57 4.206 -13.203 -6.527 423 H VAL 58 HN VAL 58 8.950 -12.152 -6.207 424 HA VAL 58 HA VAL 58 11.139 -14.104 -6.260 425 HB VAL 58 HB VAL 58 10.474 -12.347 -8.682 426 1HG1 VAL 58 3HG1 VAL 58 12.172 -14.855 -8.379 427 2HG1 VAL 58 2HG1 VAL 58 11.980 -13.971 -9.890 428 3HG1 VAL 58 1HG1 VAL 58 12.788 -13.222 -8.521 429 1HG2 VAL 58 1HG2 VAL 58 9.727 -15.298 -8.333 430 2HG2 VAL 58 3HG2 VAL 58 8.576 -13.985 -8.442 431 3HG2 VAL 58 2HG2 VAL 58 9.558 -14.398 -9.838 No H/Q in entry = 431
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