NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11441 | 1rik | 6064 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H TYR 1 H TYR 1 -9.368 14.940 5.564 2 HA TYR 1 HA TYR 1 -7.514 12.700 5.103 3 1HB TYR 1 1HB TYR 1 -10.356 13.283 4.234 4 2HB TYR 1 2HB TYR 1 -9.394 11.937 3.637 5 HD1 TYR 1 HD1 TYR 1 -8.114 10.917 6.059 6 HD2 TYR 1 HD2 TYR 1 -12.074 12.366 5.487 7 HE1 TYR 1 HE1 TYR 1 -8.886 9.532 7.938 8 HE2 TYR 1 HE2 TYR 1 -12.855 10.986 7.364 9 HH TYR 1 HH TYR 1 -11.706 8.573 8.480 10 H LYS 2 H LYS 2 -5.945 13.386 3.775 11 HA LYS 2 HA LYS 2 -6.539 15.394 1.735 12 1HB LYS 2 1HB LYS 2 -4.068 14.383 3.045 13 2HB LYS 2 2HB LYS 2 -3.920 14.965 1.393 14 1HG LYS 2 1HG LYS 2 -3.421 16.805 2.752 15 2HG LYS 2 2HG LYS 2 -5.069 17.081 2.184 16 1HD LYS 2 1HD LYS 2 -5.994 16.450 4.271 17 2HD LYS 2 2HD LYS 2 -4.460 15.778 4.827 18 1HE LYS 2 1HE LYS 2 -3.563 18.181 4.532 19 2HE LYS 2 2HE LYS 2 -5.263 18.648 4.522 20 1HZ LYS 2 1HZ LYS 2 -5.480 17.480 6.687 21 2HZ LYS 2 2HZ LYS 2 -4.449 18.821 6.737 22 3HZ LYS 2 3HZ LYS 2 -3.801 17.259 6.700 23 H PHE 3 H PHE 3 -4.918 12.210 1.913 24 HA PHE 3 HA PHE 3 -5.539 11.822 -0.934 25 1HB PHE 3 1HB PHE 3 -3.246 11.103 0.779 26 2HB PHE 3 2HB PHE 3 -3.768 9.857 -0.337 27 HD1 PHE 3 HD1 PHE 3 -2.749 13.418 -0.174 28 HD2 PHE 3 HD2 PHE 3 -3.116 9.920 -2.573 29 HE1 PHE 3 HE1 PHE 3 -1.507 14.532 -1.982 30 HE2 PHE 3 HE2 PHE 3 -1.872 11.029 -4.384 31 HZ PHE 3 HZ PHE 3 -1.067 13.337 -4.090 32 H ALA 4 H ALA 4 -5.769 9.438 -1.522 33 HA ALA 4 HA ALA 4 -7.026 7.780 0.507 34 1HB ALA 4 1HB ALA 4 -9.072 7.447 -0.843 35 2HB ALA 4 2HB ALA 4 -8.537 8.733 -1.924 36 3HB ALA 4 3HB ALA 4 -8.910 9.095 -0.238 37 H CYS 5 H CYS 5 -6.758 5.627 0.100 38 HA CYS 5 HA CYS 5 -4.965 4.861 -1.972 39 1HB CYS 5 1HB CYS 5 -5.378 3.801 0.389 40 2HB CYS 5 2HB CYS 5 -6.601 2.866 -0.454 41 HG CYS 5 HG CYS 5 -4.818 1.620 -1.712 42 HA PRO 6 HA PRO 6 -7.960 4.020 -5.148 43 1HB PRO 6 1HB PRO 6 -6.346 2.746 -6.891 44 2HB PRO 6 2HB PRO 6 -6.231 4.487 -6.604 45 1HG PRO 6 1HG PRO 6 -4.544 2.270 -5.507 46 2HG PRO 6 2HG PRO 6 -4.044 3.855 -6.126 47 1HD PRO 6 1HD PRO 6 -4.294 3.289 -3.469 48 2HD PRO 6 2HD PRO 6 -4.516 4.915 -4.150 49 H GLU 7 H GLU 7 -6.185 1.566 -3.438 50 HA GLU 7 HA GLU 7 -7.848 -0.566 -4.563 51 1HB GLU 7 1HB GLU 7 -5.192 -0.553 -4.092 52 2HB GLU 7 2HB GLU 7 -5.760 -1.204 -2.561 53 1HG GLU 7 1HG GLU 7 -6.657 -2.353 -5.177 54 2HG GLU 7 2HG GLU 7 -5.142 -2.842 -4.422 55 H CYS 8 H CYS 8 -6.839 0.731 -1.385 56 HA CYS 8 HA CYS 8 -9.171 -0.619 -0.188 57 1HB CYS 8 1HB CYS 8 -8.016 -0.637 1.890 58 2HB CYS 8 2HB CYS 8 -6.879 -1.188 0.676 59 HG CYS 8 HG CYS 8 -6.560 1.765 1.219 60 HA PRO 9 HA PRO 9 -10.859 3.280 1.000 61 1HB PRO 9 1HB PRO 9 -12.201 2.682 3.231 62 2HB PRO 9 2HB PRO 9 -12.598 1.927 1.684 63 1HG PRO 9 1HG PRO 9 -11.140 0.805 4.020 64 2HG PRO 9 2HG PRO 9 -12.211 -0.006 2.867 65 1HD PRO 9 1HD PRO 9 -9.388 0.014 2.825 66 2HD PRO 9 2HD PRO 9 -10.457 -0.571 1.543 67 H LYS 10 H LYS 10 -8.025 2.799 2.217 68 HA LYS 10 HA LYS 10 -8.204 4.177 4.747 69 1HB LYS 10 1HB LYS 10 -5.720 3.530 3.148 70 2HB LYS 10 2HB LYS 10 -5.775 4.056 4.803 71 1HG LYS 10 1HG LYS 10 -7.071 1.981 5.342 72 2HG LYS 10 2HG LYS 10 -6.714 1.434 3.705 73 1HD LYS 10 1HD LYS 10 -4.241 2.069 4.452 74 2HD LYS 10 2HD LYS 10 -4.916 1.736 6.047 75 1HE LYS 10 1HE LYS 10 -5.713 -0.463 5.157 76 2HE LYS 10 2HE LYS 10 -4.816 -0.124 3.678 77 1HZ LYS 10 1HZ LYS 10 -3.660 -0.371 6.403 78 2HZ LYS 10 2HZ LYS 10 -2.785 0.012 5.007 79 3HZ LYS 10 3HZ LYS 10 -3.521 -1.504 5.154 80 H ARG 11 H ARG 11 -7.342 6.209 5.199 81 HA ARG 11 HA ARG 11 -6.805 7.989 2.938 82 1HB ARG 11 1HB ARG 11 -8.680 8.677 5.196 83 2HB ARG 11 2HB ARG 11 -8.272 9.693 3.830 84 1HG ARG 11 1HG ARG 11 -9.494 8.371 2.330 85 2HG ARG 11 2HG ARG 11 -9.598 7.029 3.471 86 1HD ARG 11 1HD ARG 11 -10.753 9.199 4.792 87 2HD ARG 11 2HD ARG 11 -11.343 9.307 3.135 88 HE ARG 11 HE ARG 11 -12.576 7.404 3.475 89 1HH1 ARG 11 1HH1 ARG 11 -10.281 7.736 6.102 90 2HH1 ARG 11 2HH1 ARG 11 -10.985 6.463 7.039 91 1HH2 ARG 11 1HH2 ARG 11 -13.497 5.728 4.717 92 2HH2 ARG 11 2HH2 ARG 11 -12.809 5.323 6.254 93 H PHE 12 H PHE 12 -5.231 9.471 3.323 94 HA PHE 12 HA PHE 12 -4.286 9.800 6.086 95 1HB PHE 12 1HB PHE 12 -2.460 9.328 3.754 96 2HB PHE 12 2HB PHE 12 -1.983 9.500 5.428 97 HD1 PHE 12 HD1 PHE 12 -4.428 7.388 3.540 98 HD2 PHE 12 HD2 PHE 12 -1.257 7.532 6.373 99 HE1 PHE 12 HE1 PHE 12 -4.551 4.962 3.784 100 HE2 PHE 12 HE2 PHE 12 -1.381 5.084 6.625 101 HZ PHE 12 HZ PHE 12 -3.030 3.797 5.312 102 H MET 13 H MET 13 -3.290 11.753 6.568 103 HA MET 13 HA MET 13 -4.067 13.969 4.931 104 1HB MET 13 1HB MET 13 -2.554 13.707 7.516 105 2HB MET 13 2HB MET 13 -2.684 15.257 6.696 106 1HG MET 13 1HG MET 13 -5.084 15.196 6.861 107 2HG MET 13 2HG MET 13 -5.028 13.576 7.554 108 1HE MET 13 1HE MET 13 -5.659 13.453 10.067 109 2HE MET 13 2HE MET 13 -4.419 14.026 11.184 110 3HE MET 13 3HE MET 13 -3.973 12.997 9.822 111 H ARG 14 H ARG 14 -1.145 12.115 5.376 112 HA ARG 14 HA ARG 14 0.411 14.039 3.804 113 1HB ARG 14 1HB ARG 14 1.209 11.629 5.437 114 2HB ARG 14 2HB ARG 14 2.334 12.496 4.404 115 1HG ARG 14 1HG ARG 14 2.276 14.407 5.731 116 2HG ARG 14 2HG ARG 14 0.776 13.923 6.524 117 1HD ARG 14 1HD ARG 14 2.400 13.524 8.141 118 2HD ARG 14 2HD ARG 14 2.133 11.933 7.423 119 HE ARG 14 HE ARG 14 4.183 12.718 5.979 120 1HH1 ARG 14 1HH1 ARG 14 3.704 13.123 9.429 121 2HH1 ARG 14 2HH1 ARG 14 5.398 13.106 9.786 122 1HH2 ARG 14 1HH2 ARG 14 6.407 12.691 6.463 123 2HH2 ARG 14 2HH2 ARG 14 6.931 12.860 8.105 124 H SER 15 H SER 15 1.753 13.236 2.045 125 HA SER 15 HA SER 15 0.304 11.275 0.446 126 1HB SER 15 1HB SER 15 0.674 12.866 -1.052 127 2HB SER 15 2HB SER 15 1.975 13.600 -0.120 128 HG SER 15 HG SER 15 3.402 12.483 -1.228 129 H ASP 16 H ASP 16 3.589 11.870 1.666 130 HA ASP 16 HA ASP 16 4.741 9.535 0.544 131 1HB ASP 16 1HB ASP 16 5.755 11.749 1.755 132 2HB ASP 16 2HB ASP 16 5.940 10.554 3.032 133 H HIS 17 H HIS 17 3.553 10.265 3.825 134 HA HIS 17 HA HIS 17 4.114 7.768 4.968 135 1HB HIS 17 1HB HIS 17 2.292 10.027 5.626 136 2HB HIS 17 2HB HIS 17 1.976 8.481 6.402 137 HD1 HIS 17 HD1 HIS 17 2.602 9.736 8.647 138 HD2 HIS 17 HD2 HIS 17 5.715 9.263 5.938 139 HE1 HIS 17 HE1 HIS 17 4.697 10.184 9.949 140 HE2 HIS 17 HE2 HIS 17 6.561 10.008 8.266 141 H LEU 18 H LEU 18 1.217 8.948 3.286 142 HA LEU 18 HA LEU 18 -0.418 6.714 3.671 143 1HB LEU 18 1HB LEU 18 -1.057 8.949 2.701 144 2HB LEU 18 2HB LEU 18 -0.341 8.428 1.197 145 HG LEU 18 HG LEU 18 -2.459 6.746 2.456 146 1HD1 LEU 18 1HD1 LEU 18 -2.788 9.454 1.394 147 2HD1 LEU 18 2HD1 LEU 18 -3.833 8.516 2.454 148 3HD1 LEU 18 3HD1 LEU 18 -3.880 8.248 0.714 149 1HD2 LEU 18 1HD2 LEU 18 -1.936 5.608 0.616 150 2HD2 LEU 18 2HD2 LEU 18 -1.107 6.985 -0.114 151 3HD2 LEU 18 3HD2 LEU 18 -2.860 6.845 -0.240 152 H THR 19 H THR 19 1.873 7.467 1.057 153 HA THR 19 HA THR 19 1.410 5.144 -0.434 154 HB THR 19 HB THR 19 3.947 6.791 -0.267 155 HG1 THR 19 HG1 THR 19 1.712 6.996 -2.002 156 1HG2 THR 19 1HG2 THR 19 3.008 4.818 -2.325 157 2HG2 THR 19 2HG2 THR 19 4.515 4.806 -1.408 158 3HG2 THR 19 3HG2 THR 19 4.243 6.037 -2.642 159 H LEU 20 H LEU 20 3.456 5.799 2.352 160 HA LEU 20 HA LEU 20 5.101 3.533 2.279 161 1HB LEU 20 1HB LEU 20 5.220 5.550 3.846 162 2HB LEU 20 2HB LEU 20 3.993 4.748 4.805 163 HG LEU 20 HG LEU 20 5.595 2.776 4.962 164 1HD1 LEU 20 1HD1 LEU 20 7.491 4.858 3.890 165 2HD1 LEU 20 2HD1 LEU 20 7.081 3.310 3.149 166 3HD1 LEU 20 3HD1 LEU 20 7.985 3.351 4.662 167 1HD2 LEU 20 1HD2 LEU 20 6.844 3.780 6.788 168 2HD2 LEU 20 2HD2 LEU 20 5.171 4.337 6.806 169 3HD2 LEU 20 3HD2 LEU 20 6.446 5.393 6.197 170 H HIS 21 H HIS 21 1.790 3.993 3.329 171 HA HIS 21 HA HIS 21 1.418 1.497 4.606 172 1HB HIS 21 1HB HIS 21 -0.525 2.493 5.120 173 2HB HIS 21 2HB HIS 21 -0.118 3.840 4.096 174 HD1 HIS 21 HD1 HIS 21 -2.280 4.341 2.923 175 HD2 HIS 21 HD2 HIS 21 -1.366 0.304 2.857 176 HE1 HIS 21 HE1 HIS 21 -4.108 3.210 1.598 177 H ILE 22 H ILE 22 0.659 2.677 1.378 178 HA ILE 22 HA ILE 22 -0.495 0.305 0.440 179 HB ILE 22 HB ILE 22 0.860 2.247 -1.408 180 1HG1 ILE 22 1HG1 ILE 22 -1.958 2.731 -0.670 181 2HG1 ILE 22 2HG1 ILE 22 -0.797 3.140 0.569 182 1HG2 ILE 22 1HG2 ILE 22 -0.475 0.006 -1.982 183 2HG2 ILE 22 2HG2 ILE 22 -0.543 1.438 -3.008 184 3HG2 ILE 22 3HG2 ILE 22 -1.841 1.116 -1.854 185 1HD1 ILE 22 1HD1 ILE 22 -1.529 4.574 -1.769 186 2HD1 ILE 22 2HD1 ILE 22 0.193 4.194 -1.827 187 3HD1 ILE 22 3HD1 ILE 22 -0.475 5.059 -0.442 188 H LEU 23 H LEU 23 2.697 0.692 1.288 189 HA LEU 23 HA LEU 23 4.007 -0.721 -0.790 190 1HB LEU 23 1HB LEU 23 4.666 0.260 1.877 191 2HB LEU 23 2HB LEU 23 5.421 -1.282 1.531 192 HG LEU 23 HG LEU 23 6.242 -0.183 -0.646 193 1HD1 LEU 23 1HD1 LEU 23 4.796 1.776 -0.572 194 2HD1 LEU 23 2HD1 LEU 23 6.496 2.247 -0.539 195 3HD1 LEU 23 3HD1 LEU 23 5.543 2.282 0.943 196 1HD2 LEU 23 1HD2 LEU 23 8.183 0.767 0.494 197 2HD2 LEU 23 2HD2 LEU 23 7.698 -0.763 1.223 198 3HD2 LEU 23 3HD2 LEU 23 7.296 0.759 2.019 199 H LEU 24 H LEU 24 2.204 -1.701 2.080 200 HA LEU 24 HA LEU 24 2.997 -4.456 1.924 201 1HB LEU 24 1HB LEU 24 0.848 -4.713 3.417 202 2HB LEU 24 2HB LEU 24 2.356 -4.100 4.053 203 HG LEU 24 HG LEU 24 1.426 -1.776 3.686 204 1HD1 LEU 24 1HD1 LEU 24 -1.120 -3.349 3.301 205 2HD1 LEU 24 2HD1 LEU 24 -0.354 -2.282 2.125 206 3HD1 LEU 24 3HD1 LEU 24 -1.042 -1.612 3.603 207 1HD2 LEU 24 1HD2 LEU 24 0.638 -1.754 5.815 208 2HD2 LEU 24 2HD2 LEU 24 1.428 -3.331 5.804 209 3HD2 LEU 24 3HD2 LEU 24 -0.320 -3.219 5.594 210 H HIS 25 H HIS 25 0.628 -2.568 0.284 211 HA HIS 25 HA HIS 25 -1.360 -4.451 -0.235 212 1HB HIS 25 1HB HIS 25 -0.460 -1.933 -1.477 213 2HB HIS 25 2HB HIS 25 -1.342 -3.017 -2.546 214 HD1 HIS 25 HD1 HIS 25 -3.722 -3.926 -1.262 215 HD2 HIS 25 HD2 HIS 25 -2.086 -0.263 -0.190 216 HE1 HIS 25 HE1 HIS 25 -5.581 -2.613 -0.155 217 H GLU 26 H GLU 26 1.847 -4.171 -1.605 218 HA GLU 26 HA GLU 26 1.625 -5.480 -4.006 219 1HB GLU 26 1HB GLU 26 3.943 -6.137 -3.765 220 2HB GLU 26 2HB GLU 26 3.722 -4.514 -3.132 221 1HG GLU 26 1HG GLU 26 3.698 -5.409 -0.855 222 2HG GLU 26 2HG GLU 26 3.931 -7.034 -1.497 223 H ASN 27 H ASN 27 1.710 -6.928 -0.774 224 HA ASN 27 HA ASN 27 1.553 -9.614 -1.874 225 1HB ASN 27 1HB ASN 27 2.890 -9.007 0.208 226 2HB ASN 27 2HB ASN 27 1.346 -8.833 1.036 227 1HD2 ASN 27 1HD2 ASN 27 3.704 -11.006 -0.166 228 2HD2 ASN 27 2HD2 ASN 27 2.944 -12.469 0.352 229 H LYS 28 H LYS 28 -0.340 -10.369 -2.544 230 HA LYS 28 HA LYS 28 -2.796 -9.440 -1.215 231 1HB LYS 28 1HB LYS 28 -3.981 -10.139 -3.252 232 2HB LYS 28 2HB LYS 28 -2.733 -8.952 -3.598 233 1HG LYS 28 1HG LYS 28 -1.809 -11.712 -3.828 234 2HG LYS 28 2HG LYS 28 -3.116 -11.302 -4.940 235 1HD LYS 28 1HD LYS 28 -0.862 -9.382 -4.664 236 2HD LYS 28 2HD LYS 28 -0.568 -10.880 -5.548 237 1HE LYS 28 1HE LYS 28 -2.979 -9.221 -6.167 238 2HE LYS 28 2HE LYS 28 -1.406 -8.763 -6.817 239 1HZ LYS 28 1HZ LYS 28 -2.622 -10.150 -8.367 240 2HZ LYS 28 2HZ LYS 28 -2.751 -11.383 -7.217 241 3HZ LYS 28 3HZ LYS 28 -1.235 -10.956 -7.831 242 H LYS 29 H LYS 29 -4.493 -10.962 -0.811 243 HA LYS 29 HA LYS 29 -5.408 -12.921 -0.122 244 1HB LYS 29 1HB LYS 29 -4.352 -13.777 -2.304 245 2HB LYS 29 2HB LYS 29 -3.077 -14.432 -1.286 246 1HG LYS 29 1HG LYS 29 -5.692 -15.148 -0.287 247 2HG LYS 29 2HG LYS 29 -5.471 -15.657 -1.963 248 1HD LYS 29 1HD LYS 29 -3.362 -16.186 0.104 249 2HD LYS 29 2HD LYS 29 -4.750 -17.261 -0.070 250 1HE LYS 29 1HE LYS 29 -4.126 -17.932 -2.200 251 2HE LYS 29 2HE LYS 29 -3.128 -16.503 -2.467 252 1HZ LYS 29 1HZ LYS 29 -1.776 -18.472 -2.123 253 2HZ LYS 29 2HZ LYS 29 -2.492 -18.737 -0.614 254 3HZ LYS 29 3HZ LYS 29 -1.533 -17.366 -0.866 Start of MODEL 2 1 H TYR 1 H TYR 1 -7.329 13.825 5.732 2 HA TYR 1 HA TYR 1 -7.400 11.859 4.625 3 1HB TYR 1 1HB TYR 1 -9.320 11.112 3.307 4 2HB TYR 1 2HB TYR 1 -9.820 11.499 4.947 5 HD1 TYR 1 HD1 TYR 1 -10.599 11.887 1.552 6 HD2 TYR 1 HD2 TYR 1 -10.736 13.977 5.256 7 HE1 TYR 1 HE1 TYR 1 -12.353 13.355 0.652 8 HE2 TYR 1 HE2 TYR 1 -12.489 15.452 4.364 9 HH TYR 1 HH TYR 1 -13.106 16.011 1.423 10 H LYS 2 H LYS 2 -5.799 13.590 3.891 11 HA LYS 2 HA LYS 2 -6.265 15.098 1.554 12 1HB LYS 2 1HB LYS 2 -3.860 14.247 3.086 13 2HB LYS 2 2HB LYS 2 -3.611 14.804 1.438 14 1HG LYS 2 1HG LYS 2 -3.360 16.753 2.608 15 2HG LYS 2 2HG LYS 2 -5.077 16.824 2.205 16 1HD LYS 2 1HD LYS 2 -5.456 15.681 4.471 17 2HD LYS 2 2HD LYS 2 -3.788 16.130 4.827 18 1HE LYS 2 1HE LYS 2 -4.757 18.005 5.628 19 2HE LYS 2 2HE LYS 2 -4.713 18.489 3.934 20 1HZ LYS 2 1HZ LYS 2 -6.987 17.666 3.695 21 2HZ LYS 2 2HZ LYS 2 -6.890 18.872 4.877 22 3HZ LYS 2 3HZ LYS 2 -7.022 17.249 5.334 23 H PHE 3 H PHE 3 -4.619 11.953 1.982 24 HA PHE 3 HA PHE 3 -4.865 11.511 -0.913 25 1HB PHE 3 1HB PHE 3 -2.838 10.800 1.097 26 2HB PHE 3 2HB PHE 3 -3.258 9.496 0.007 27 HD1 PHE 3 HD1 PHE 3 -1.695 9.258 -1.652 28 HD2 PHE 3 HD2 PHE 3 -2.812 13.177 -0.420 29 HE1 PHE 3 HE1 PHE 3 -0.223 10.216 -3.373 30 HE2 PHE 3 HE2 PHE 3 -1.343 14.140 -2.139 31 HZ PHE 3 HZ PHE 3 -0.046 12.660 -3.621 32 H ALA 4 H ALA 4 -5.246 9.216 -1.573 33 HA ALA 4 HA ALA 4 -6.758 7.596 0.315 34 1HB ALA 4 1HB ALA 4 -8.709 7.422 -1.156 35 2HB ALA 4 2HB ALA 4 -7.994 8.613 -2.242 36 3HB ALA 4 3HB ALA 4 -8.457 9.079 -0.605 37 H CYS 5 H CYS 5 -6.679 5.430 -0.131 38 HA CYS 5 HA CYS 5 -4.817 4.588 -2.172 39 1HB CYS 5 1HB CYS 5 -5.076 3.619 0.219 40 2HB CYS 5 2HB CYS 5 -6.424 2.717 -0.452 41 HG CYS 5 HG CYS 5 -4.727 1.076 -1.079 42 HA PRO 6 HA PRO 6 -7.957 3.631 -5.173 43 1HB PRO 6 1HB PRO 6 -6.443 2.283 -6.944 44 2HB PRO 6 2HB PRO 6 -6.293 4.031 -6.720 45 1HG PRO 6 1HG PRO 6 -4.583 1.827 -5.636 46 2HG PRO 6 2HG PRO 6 -4.095 3.385 -6.327 47 1HD PRO 6 1HD PRO 6 -4.233 2.895 -3.640 48 2HD PRO 6 2HD PRO 6 -4.443 4.506 -4.358 49 H GLU 7 H GLU 7 -6.190 1.254 -3.377 50 HA GLU 7 HA GLU 7 -7.869 -0.925 -4.386 51 1HB GLU 7 1HB GLU 7 -5.213 -0.916 -3.942 52 2HB GLU 7 2HB GLU 7 -5.767 -1.460 -2.365 53 1HG GLU 7 1HG GLU 7 -7.225 -3.020 -4.089 54 2HG GLU 7 2HG GLU 7 -5.671 -2.871 -4.908 55 H CYS 8 H CYS 8 -6.910 0.650 -1.332 56 HA CYS 8 HA CYS 8 -9.278 -0.579 -0.071 57 1HB CYS 8 1HB CYS 8 -8.119 -0.587 2.035 58 2HB CYS 8 2HB CYS 8 -7.100 -1.368 0.837 59 HG CYS 8 HG CYS 8 -6.469 1.584 1.407 60 HA PRO 9 HA PRO 9 -10.595 3.491 1.018 61 1HB PRO 9 1HB PRO 9 -12.129 3.023 3.147 62 2HB PRO 9 2HB PRO 9 -12.496 2.298 1.578 63 1HG PRO 9 1HG PRO 9 -11.289 1.062 4.002 64 2HG PRO 9 2HG PRO 9 -12.368 0.347 2.792 65 1HD PRO 9 1HD PRO 9 -9.554 0.103 2.906 66 2HD PRO 9 2HD PRO 9 -10.607 -0.392 1.570 67 H LYS 10 H LYS 10 -7.886 3.245 1.997 68 HA LYS 10 HA LYS 10 -7.994 4.290 4.716 69 1HB LYS 10 1HB LYS 10 -5.529 3.828 3.028 70 2HB LYS 10 2HB LYS 10 -5.596 4.118 4.741 71 1HG LYS 10 1HG LYS 10 -7.069 1.768 3.718 72 2HG LYS 10 2HG LYS 10 -5.305 1.695 3.749 73 1HD LYS 10 1HD LYS 10 -5.427 2.407 6.160 74 2HD LYS 10 2HD LYS 10 -7.173 2.174 6.065 75 1HE LYS 10 1HE LYS 10 -6.872 -0.160 5.526 76 2HE LYS 10 2HE LYS 10 -5.122 0.047 5.460 77 1HZ LYS 10 1HZ LYS 10 -5.136 0.588 7.817 78 2HZ LYS 10 2HZ LYS 10 -5.813 -0.938 7.551 79 3HZ LYS 10 3HZ LYS 10 -6.815 0.385 7.878 80 H ARG 11 H ARG 11 -7.080 6.297 5.299 81 HA ARG 11 HA ARG 11 -6.622 8.234 3.148 82 1HB ARG 11 1HB ARG 11 -8.084 9.887 4.299 83 2HB ARG 11 2HB ARG 11 -8.963 8.517 3.635 84 1HG ARG 11 1HG ARG 11 -8.688 7.550 6.050 85 2HG ARG 11 2HG ARG 11 -8.448 9.245 6.478 86 1HD ARG 11 1HD ARG 11 -10.589 9.799 5.405 87 2HD ARG 11 2HD ARG 11 -10.829 8.094 5.026 88 HE ARG 11 HE ARG 11 -10.475 8.103 7.716 89 1HH1 ARG 11 1HH1 ARG 11 -12.631 9.846 5.573 90 2HH1 ARG 11 2HH1 ARG 11 -13.891 9.978 6.752 91 1HH2 ARG 11 1HH2 ARG 11 -12.140 8.280 9.261 92 2HH2 ARG 11 2HH2 ARG 11 -13.614 9.091 8.845 93 H PHE 12 H PHE 12 -4.959 9.567 3.555 94 HA PHE 12 HA PHE 12 -4.059 9.879 6.339 95 1HB PHE 12 1HB PHE 12 -2.218 9.433 4.016 96 2HB PHE 12 2HB PHE 12 -1.759 9.543 5.698 97 HD1 PHE 12 HD1 PHE 12 -4.198 7.567 3.691 98 HD2 PHE 12 HD2 PHE 12 -1.131 7.523 6.632 99 HE1 PHE 12 HE1 PHE 12 -4.418 5.145 3.863 100 HE2 PHE 12 HE2 PHE 12 -1.352 5.073 6.813 101 HZ PHE 12 HZ PHE 12 -3.006 3.883 5.411 102 H MET 13 H MET 13 -3.074 11.817 6.865 103 HA MET 13 HA MET 13 -3.870 14.084 5.354 104 1HB MET 13 1HB MET 13 -2.064 13.756 7.746 105 2HB MET 13 2HB MET 13 -2.392 15.325 7.024 106 1HG MET 13 1HG MET 13 -4.776 15.028 7.453 107 2HG MET 13 2HG MET 13 -4.448 13.456 8.179 108 1HE MET 13 1HE MET 13 -4.672 13.262 10.572 109 2HE MET 13 2HE MET 13 -5.914 14.491 10.328 110 3HE MET 13 3HE MET 13 -4.781 14.636 11.672 111 H ARG 14 H ARG 14 -0.890 12.239 5.544 112 HA ARG 14 HA ARG 14 0.478 14.190 3.835 113 1HB ARG 14 1HB ARG 14 1.410 11.931 5.569 114 2HB ARG 14 2HB ARG 14 2.431 12.498 4.260 115 1HG ARG 14 1HG ARG 14 3.003 14.372 5.344 116 2HG ARG 14 2HG ARG 14 1.374 14.625 5.974 117 1HD ARG 14 1HD ARG 14 3.186 12.479 7.038 118 2HD ARG 14 2HD ARG 14 3.225 14.129 7.662 119 HE ARG 14 HE ARG 14 1.122 12.160 8.034 120 1HH1 ARG 14 1HH1 ARG 14 2.101 15.506 8.372 121 2HH1 ARG 14 2HH1 ARG 14 0.882 15.870 9.545 122 1HH2 ARG 14 1HH2 ARG 14 -0.483 12.648 9.576 123 2HH2 ARG 14 2HH2 ARG 14 -0.584 14.250 10.229 124 H SER 15 H SER 15 1.790 13.335 2.043 125 HA SER 15 HA SER 15 0.216 11.471 0.468 126 1HB SER 15 1HB SER 15 0.718 13.163 -0.918 127 2HB SER 15 2HB SER 15 2.230 13.559 -0.109 128 HG SER 15 HG SER 15 3.260 12.265 -1.429 129 H ASP 16 H ASP 16 3.549 11.821 1.642 130 HA ASP 16 HA ASP 16 4.474 9.363 0.561 131 1HB ASP 16 1HB ASP 16 6.498 9.789 1.686 132 2HB ASP 16 2HB ASP 16 5.867 11.386 1.311 133 H HIS 17 H HIS 17 2.880 10.244 3.547 134 HA HIS 17 HA HIS 17 3.510 7.905 5.014 135 1HB HIS 17 1HB HIS 17 1.453 10.060 5.263 136 2HB HIS 17 2HB HIS 17 1.282 8.596 6.217 137 HD1 HIS 17 HD1 HIS 17 1.708 9.842 8.415 138 HD2 HIS 17 HD2 HIS 17 4.828 10.131 5.689 139 HE1 HIS 17 HE1 HIS 17 3.628 10.815 9.693 140 HE2 HIS 17 HE2 HIS 17 5.471 11.093 8.002 141 H LEU 18 H LEU 18 0.522 8.825 3.254 142 HA LEU 18 HA LEU 18 -0.781 6.363 3.562 143 1HB LEU 18 1HB LEU 18 -1.819 8.481 2.759 144 2HB LEU 18 2HB LEU 18 -1.017 8.260 1.229 145 HG LEU 18 HG LEU 18 -2.833 6.126 2.281 146 1HD1 LEU 18 1HD1 LEU 18 -4.694 7.288 1.992 147 2HD1 LEU 18 2HD1 LEU 18 -4.150 7.881 0.425 148 3HD1 LEU 18 3HD1 LEU 18 -3.694 8.737 1.899 149 1HD2 LEU 18 1HD2 LEU 18 -3.212 6.192 -0.349 150 2HD2 LEU 18 2HD2 LEU 18 -1.902 5.286 0.410 151 3HD2 LEU 18 3HD2 LEU 18 -1.589 6.879 -0.285 152 H THR 19 H THR 19 1.423 7.561 1.062 153 HA THR 19 HA THR 19 1.238 5.361 -0.644 154 HB THR 19 HB THR 19 3.513 7.303 -0.200 155 HG1 THR 19 HG1 THR 19 2.015 8.487 -1.121 156 1HG2 THR 19 1HG2 THR 19 3.146 5.256 -2.365 157 2HG2 THR 19 2HG2 THR 19 4.535 5.491 -1.305 158 3HG2 THR 19 3HG2 THR 19 4.163 6.685 -2.550 159 H LEU 20 H LEU 20 3.131 5.922 2.266 160 HA LEU 20 HA LEU 20 4.910 3.732 1.998 161 1HB LEU 20 1HB LEU 20 5.135 5.668 3.596 162 2HB LEU 20 2HB LEU 20 3.874 4.937 4.567 163 HG LEU 20 HG LEU 20 5.382 2.888 4.729 164 1HD1 LEU 20 1HD1 LEU 20 6.890 3.356 2.913 165 2HD1 LEU 20 2HD1 LEU 20 7.793 3.346 4.427 166 3HD1 LEU 20 3HD1 LEU 20 7.375 4.878 3.660 167 1HD2 LEU 20 1HD2 LEU 20 6.661 3.833 6.558 168 2HD2 LEU 20 2HD2 LEU 20 5.023 4.486 6.561 169 3HD2 LEU 20 3HD2 LEU 20 6.360 5.463 5.956 170 H HIS 21 H HIS 21 1.678 4.088 3.333 171 HA HIS 21 HA HIS 21 1.423 1.587 4.567 172 1HB HIS 21 1HB HIS 21 -0.586 2.424 5.109 173 2HB HIS 21 2HB HIS 21 -0.135 3.874 4.257 174 HD1 HIS 21 HD1 HIS 21 -2.140 4.583 2.959 175 HD2 HIS 21 HD2 HIS 21 -1.543 0.499 2.747 176 HE1 HIS 21 HE1 HIS 21 -3.952 3.663 1.464 177 H ILE 22 H ILE 22 0.461 2.701 1.359 178 HA ILE 22 HA ILE 22 -0.813 0.440 0.460 179 HB ILE 22 HB ILE 22 0.832 2.137 -1.405 180 1HG1 ILE 22 1HG1 ILE 22 -2.000 2.824 -0.822 181 2HG1 ILE 22 2HG1 ILE 22 -0.823 3.294 0.384 182 1HG2 ILE 22 1HG2 ILE 22 -0.523 -0.001 -2.066 183 2HG2 ILE 22 2HG2 ILE 22 -0.634 1.454 -3.056 184 3HG2 ILE 22 3HG2 ILE 22 -1.914 1.075 -1.900 185 1HD1 ILE 22 1HD1 ILE 22 -1.379 4.402 -2.235 186 2HD1 ILE 22 2HD1 ILE 22 0.338 4.129 -1.938 187 3HD1 ILE 22 3HD1 ILE 22 -0.602 5.130 -0.831 188 H LEU 23 H LEU 23 2.543 0.706 1.095 189 HA LEU 23 HA LEU 23 3.644 -1.080 -0.740 190 1HB LEU 23 1HB LEU 23 4.316 -0.230 2.030 191 2HB LEU 23 2HB LEU 23 5.083 -1.690 1.437 192 HG LEU 23 HG LEU 23 5.197 0.773 -0.248 193 1HD1 LEU 23 1HD1 LEU 23 6.828 0.261 2.228 194 2HD1 LEU 23 2HD1 LEU 23 5.859 1.683 1.839 195 3HD1 LEU 23 3HD1 LEU 23 7.337 1.350 0.937 196 1HD2 LEU 23 1HD2 LEU 23 7.314 -0.191 -0.936 197 2HD2 LEU 23 2HD2 LEU 23 6.024 -1.382 -1.094 198 3HD2 LEU 23 3HD2 LEU 23 7.146 -1.472 0.264 199 H LEU 24 H LEU 24 1.642 -1.629 2.093 200 HA LEU 24 HA LEU 24 2.041 -4.326 2.594 201 1HB LEU 24 1HB LEU 24 -0.674 -3.008 2.594 202 2HB LEU 24 2HB LEU 24 -0.162 -4.384 3.548 203 HG LEU 24 HG LEU 24 1.361 -1.898 4.012 204 1HD1 LEU 24 1HD1 LEU 24 -1.426 -2.111 5.121 205 2HD1 LEU 24 2HD1 LEU 24 -1.056 -1.174 3.672 206 3HD1 LEU 24 3HD1 LEU 24 -0.309 -0.750 5.212 207 1HD2 LEU 24 1HD2 LEU 24 0.038 -3.885 5.855 208 2HD2 LEU 24 2HD2 LEU 24 1.190 -2.631 6.317 209 3HD2 LEU 24 3HD2 LEU 24 1.706 -3.970 5.291 210 H HIS 25 H HIS 25 -0.216 -2.830 0.287 211 HA HIS 25 HA HIS 25 -1.329 -5.182 -0.747 212 1HB HIS 25 1HB HIS 25 -0.900 -2.567 -2.211 213 2HB HIS 25 2HB HIS 25 -2.058 -3.822 -2.636 214 HD1 HIS 25 HD1 HIS 25 -3.885 -4.280 -0.542 215 HD2 HIS 25 HD2 HIS 25 -1.968 -0.600 -0.749 216 HE1 HIS 25 HE1 HIS 25 -5.268 -2.676 0.843 217 H GLU 26 H GLU 26 1.500 -3.311 -1.801 218 HA GLU 26 HA GLU 26 2.125 -4.757 -4.108 219 1HB GLU 26 1HB GLU 26 3.644 -3.008 -2.238 220 2HB GLU 26 2HB GLU 26 4.576 -4.016 -3.336 221 1HG GLU 26 1HG GLU 26 2.366 -2.250 -4.323 222 2HG GLU 26 2HG GLU 26 4.000 -1.639 -4.069 223 H ASN 27 H ASN 27 3.331 -5.194 -0.781 224 HA ASN 27 HA ASN 27 4.266 -7.881 -1.546 225 1HB ASN 27 1HB ASN 27 5.579 -7.668 0.680 226 2HB ASN 27 2HB ASN 27 6.153 -6.771 -0.719 227 1HD2 ASN 27 1HD2 ASN 27 6.397 -4.632 -0.551 228 2HD2 ASN 27 2HD2 ASN 27 5.882 -3.678 0.793 229 H LYS 28 H LYS 28 1.863 -8.322 -1.350 230 HA LYS 28 HA LYS 28 0.728 -8.431 1.282 231 1HB LYS 28 1HB LYS 28 -0.591 -8.153 -0.841 232 2HB LYS 28 2HB LYS 28 -0.240 -9.835 -1.213 233 1HG LYS 28 1HG LYS 28 -1.376 -9.420 1.451 234 2HG LYS 28 2HG LYS 28 -2.437 -8.938 0.126 235 1HD LYS 28 1HD LYS 28 -1.032 -11.582 0.056 236 2HD LYS 28 2HD LYS 28 -2.513 -11.385 0.994 237 1HE LYS 28 1HE LYS 28 -3.756 -10.784 -0.941 238 2HE LYS 28 2HE LYS 28 -2.293 -10.632 -1.913 239 1HZ LYS 28 1HZ LYS 28 -1.944 -13.015 -1.691 240 2HZ LYS 28 2HZ LYS 28 -3.452 -12.694 -2.385 241 3HZ LYS 28 3HZ LYS 28 -3.352 -13.159 -0.763 242 H LYS 29 H LYS 29 1.355 -9.846 2.764 243 HA LYS 29 HA LYS 29 1.526 -12.664 2.097 244 1HB LYS 29 1HB LYS 29 3.870 -11.226 2.077 245 2HB LYS 29 2HB LYS 29 3.830 -11.846 3.721 246 1HG LYS 29 1HG LYS 29 3.419 -13.622 1.336 247 2HG LYS 29 2HG LYS 29 5.021 -13.250 1.975 248 1HD LYS 29 1HD LYS 29 4.345 -14.139 4.162 249 2HD LYS 29 2HD LYS 29 2.755 -14.528 3.505 250 1HE LYS 29 1HE LYS 29 3.540 -16.493 2.835 251 2HE LYS 29 2HE LYS 29 4.656 -15.658 1.758 252 1HZ LYS 29 1HZ LYS 29 5.824 -17.156 3.242 253 2HZ LYS 29 2HZ LYS 29 5.190 -16.362 4.594 254 3HZ LYS 29 3HZ LYS 29 6.262 -15.555 3.565 Start of MODEL 3 1 H TYR 1 H TYR 1 -10.269 13.940 5.958 2 HA TYR 1 HA TYR 1 -8.481 13.028 4.828 3 1HB TYR 1 1HB TYR 1 -10.990 12.401 3.251 4 2HB TYR 1 2HB TYR 1 -9.598 11.348 3.470 5 HD1 TYR 1 HD1 TYR 1 -12.849 11.843 4.478 6 HD2 TYR 1 HD2 TYR 1 -9.010 11.046 6.129 7 HE1 TYR 1 HE1 TYR 1 -13.913 10.872 6.471 8 HE2 TYR 1 HE2 TYR 1 -10.063 10.072 8.125 9 HH TYR 1 HH TYR 1 -12.832 8.940 8.380 10 H LYS 2 H LYS 2 -6.921 13.518 3.432 11 HA LYS 2 HA LYS 2 -7.547 15.205 1.130 12 1HB LYS 2 1HB LYS 2 -5.201 14.782 2.839 13 2HB LYS 2 2HB LYS 2 -4.816 14.903 1.127 14 1HG LYS 2 1HG LYS 2 -6.605 16.976 1.577 15 2HG LYS 2 2HG LYS 2 -5.566 16.966 3.004 16 1HD LYS 2 1HD LYS 2 -3.715 17.557 1.827 17 2HD LYS 2 2HD LYS 2 -4.226 16.688 0.378 18 1HE LYS 2 1HE LYS 2 -5.896 18.455 -0.050 19 2HE LYS 2 2HE LYS 2 -5.298 19.333 1.356 20 1HZ LYS 2 1HZ LYS 2 -4.349 20.174 -0.706 21 2HZ LYS 2 2HZ LYS 2 -3.699 18.652 -1.054 22 3HZ LYS 2 3HZ LYS 2 -3.145 19.521 0.288 23 H PHE 3 H PHE 3 -5.410 12.383 1.712 24 HA PHE 3 HA PHE 3 -5.702 11.650 -1.098 25 1HB PHE 3 1HB PHE 3 -3.730 11.033 1.056 26 2HB PHE 3 2HB PHE 3 -3.929 9.891 -0.254 27 HD1 PHE 3 HD1 PHE 3 -3.427 13.540 0.288 28 HD2 PHE 3 HD2 PHE 3 -2.612 10.130 -2.127 29 HE1 PHE 3 HE1 PHE 3 -1.919 14.894 -1.109 30 HE2 PHE 3 HE2 PHE 3 -1.103 11.477 -3.527 31 HZ PHE 3 HZ PHE 3 -0.755 13.862 -3.018 32 H ALA 4 H ALA 4 -5.863 9.294 -1.596 33 HA ALA 4 HA ALA 4 -7.188 7.624 0.367 34 1HB ALA 4 1HB ALA 4 -9.058 8.930 -0.481 35 2HB ALA 4 2HB ALA 4 -9.187 7.251 -1.007 36 3HB ALA 4 3HB ALA 4 -8.636 8.489 -2.136 37 H CYS 5 H CYS 5 -6.819 5.490 -0.002 38 HA CYS 5 HA CYS 5 -4.968 4.752 -2.039 39 1HB CYS 5 1HB CYS 5 -5.327 3.711 0.322 40 2HB CYS 5 2HB CYS 5 -6.563 2.750 -0.471 41 HG CYS 5 HG CYS 5 -4.829 1.394 -1.598 42 HA PRO 6 HA PRO 6 -7.861 3.768 -5.265 43 1HB PRO 6 1HB PRO 6 -6.221 2.332 -6.867 44 2HB PRO 6 2HB PRO 6 -6.095 4.088 -6.708 45 1HG PRO 6 1HG PRO 6 -4.468 1.946 -5.394 46 2HG PRO 6 2HG PRO 6 -3.931 3.471 -6.122 47 1HD PRO 6 1HD PRO 6 -4.241 3.140 -3.444 48 2HD PRO 6 2HD PRO 6 -4.478 4.700 -4.258 49 H GLU 7 H GLU 7 -6.168 1.342 -3.408 50 HA GLU 7 HA GLU 7 -7.893 -0.787 -4.439 51 1HB GLU 7 1HB GLU 7 -5.281 -0.907 -4.041 52 2HB GLU 7 2HB GLU 7 -5.772 -1.277 -2.394 53 1HG GLU 7 1HG GLU 7 -6.819 -2.785 -4.770 54 2HG GLU 7 2HG GLU 7 -5.339 -3.238 -3.929 55 H CYS 8 H CYS 8 -6.880 0.635 -1.318 56 HA CYS 8 HA CYS 8 -9.290 -0.546 -0.097 57 1HB CYS 8 1HB CYS 8 -8.159 -0.547 2.004 58 2HB CYS 8 2HB CYS 8 -7.062 -1.240 0.822 59 HG CYS 8 HG CYS 8 -5.473 0.611 1.179 60 HA PRO 9 HA PRO 9 -10.702 3.506 0.958 61 1HB PRO 9 1HB PRO 9 -12.208 3.028 3.103 62 2HB PRO 9 2HB PRO 9 -12.567 2.265 1.549 63 1HG PRO 9 1HG PRO 9 -11.304 1.106 3.982 64 2HG PRO 9 2HG PRO 9 -12.375 0.340 2.798 65 1HD PRO 9 1HD PRO 9 -9.551 0.177 2.884 66 2HD PRO 9 2HD PRO 9 -10.603 -0.372 1.569 67 H LYS 10 H LYS 10 -7.961 3.156 2.024 68 HA LYS 10 HA LYS 10 -8.095 4.310 4.689 69 1HB LYS 10 1HB LYS 10 -5.646 3.738 3.017 70 2HB LYS 10 2HB LYS 10 -5.672 4.160 4.702 71 1HG LYS 10 1HG LYS 10 -7.267 1.800 4.031 72 2HG LYS 10 2HG LYS 10 -5.531 1.634 3.763 73 1HD LYS 10 1HD LYS 10 -6.487 2.817 6.327 74 2HD LYS 10 2HD LYS 10 -6.603 1.072 6.099 75 1HE LYS 10 1HE LYS 10 -4.021 2.108 5.279 76 2HE LYS 10 2HE LYS 10 -4.378 2.488 6.963 77 1HZ LYS 10 1HZ LYS 10 -4.513 -0.228 5.764 78 2HZ LYS 10 2HZ LYS 10 -4.771 0.159 7.390 79 3HZ LYS 10 3HZ LYS 10 -3.236 0.356 6.708 80 H ARG 11 H ARG 11 -7.216 6.312 5.241 81 HA ARG 11 HA ARG 11 -6.708 8.210 3.067 82 1HB ARG 11 1HB ARG 11 -8.520 8.773 5.413 83 2HB ARG 11 2HB ARG 11 -8.112 9.886 4.125 84 1HG ARG 11 1HG ARG 11 -9.695 9.084 2.784 85 2HG ARG 11 2HG ARG 11 -9.245 7.411 3.118 86 1HD ARG 11 1HD ARG 11 -10.406 8.203 5.474 87 2HD ARG 11 2HD ARG 11 -11.369 9.055 4.269 88 HE ARG 11 HE ARG 11 -11.218 6.496 3.331 89 1HH1 ARG 11 1HH1 ARG 11 -12.289 7.951 6.330 90 2HH1 ARG 11 2HH1 ARG 11 -13.465 6.723 6.649 91 1HH2 ARG 11 1HH2 ARG 11 -12.770 4.879 3.757 92 2HH2 ARG 11 2HH2 ARG 11 -13.738 4.977 5.190 93 H PHE 12 H PHE 12 -5.124 9.673 3.494 94 HA PHE 12 HA PHE 12 -4.105 9.870 6.239 95 1HB PHE 12 1HB PHE 12 -2.320 9.424 3.872 96 2HB PHE 12 2HB PHE 12 -1.822 9.530 5.546 97 HD1 PHE 12 HD1 PHE 12 -4.280 7.545 3.548 98 HD2 PHE 12 HD2 PHE 12 -1.204 7.524 6.488 99 HE1 PHE 12 HE1 PHE 12 -4.472 5.115 3.718 100 HE2 PHE 12 HE2 PHE 12 -1.397 5.075 6.664 101 HZ PHE 12 HZ PHE 12 -3.034 3.868 5.261 102 H MET 13 H MET 13 -2.943 11.753 6.726 103 HA MET 13 HA MET 13 -3.708 14.048 5.170 104 1HB MET 13 1HB MET 13 -2.175 13.672 7.732 105 2HB MET 13 2HB MET 13 -2.286 15.247 6.959 106 1HG MET 13 1HG MET 13 -4.535 15.453 7.383 107 2HG MET 13 2HG MET 13 -4.780 13.711 7.501 108 1HE MET 13 1HE MET 13 -5.590 13.846 11.127 109 2HE MET 13 2HE MET 13 -5.519 12.815 9.698 110 3HE MET 13 3HE MET 13 -6.355 14.367 9.625 111 H ARG 14 H ARG 14 -0.846 12.084 5.554 112 HA ARG 14 HA ARG 14 0.762 13.991 4.010 113 1HB ARG 14 1HB ARG 14 1.509 11.508 5.562 114 2HB ARG 14 2HB ARG 14 2.645 12.403 4.565 115 1HG ARG 14 1HG ARG 14 2.320 14.385 5.945 116 2HG ARG 14 2HG ARG 14 1.156 13.507 6.939 117 1HD ARG 14 1HD ARG 14 3.238 13.487 8.096 118 2HD ARG 14 2HD ARG 14 2.969 11.863 7.459 119 HE ARG 14 HE ARG 14 4.730 12.164 5.976 120 1HH1 ARG 14 1HH1 ARG 14 4.121 15.132 7.735 121 2HH1 ARG 14 2HH1 ARG 14 5.630 15.848 7.284 122 1HH2 ARG 14 1HH2 ARG 14 6.716 13.114 5.392 123 2HH2 ARG 14 2HH2 ARG 14 7.102 14.706 5.955 124 H SER 15 H SER 15 2.041 13.205 2.210 125 HA SER 15 HA SER 15 0.535 11.300 0.594 126 1HB SER 15 1HB SER 15 1.020 12.635 -1.090 127 2HB SER 15 2HB SER 15 1.842 13.719 0.027 128 HG SER 15 HG SER 15 3.736 12.970 -0.616 129 H ASP 16 H ASP 16 3.846 11.836 1.763 130 HA ASP 16 HA ASP 16 4.925 9.496 0.561 131 1HB ASP 16 1HB ASP 16 6.912 9.927 1.883 132 2HB ASP 16 2HB ASP 16 6.310 11.443 1.233 133 H HIS 17 H HIS 17 3.659 10.202 3.796 134 HA HIS 17 HA HIS 17 4.309 7.677 4.917 135 1HB HIS 17 1HB HIS 17 2.437 9.893 5.689 136 2HB HIS 17 2HB HIS 17 2.416 8.366 6.557 137 HD1 HIS 17 HD1 HIS 17 3.211 9.776 8.652 138 HD2 HIS 17 HD2 HIS 17 5.923 9.559 5.513 139 HE1 HIS 17 HE1 HIS 17 5.398 10.545 9.603 140 HE2 HIS 17 HE2 HIS 17 7.006 10.500 7.665 141 H LEU 18 H LEU 18 1.432 8.966 3.305 142 HA LEU 18 HA LEU 18 -0.285 6.793 3.735 143 1HB LEU 18 1HB LEU 18 -0.893 9.040 2.814 144 2HB LEU 18 2HB LEU 18 -0.185 8.558 1.294 145 HG LEU 18 HG LEU 18 -2.341 6.888 2.505 146 1HD1 LEU 18 1HD1 LEU 18 -3.546 8.819 2.582 147 2HD1 LEU 18 2HD1 LEU 18 -3.814 8.366 0.901 148 3HD1 LEU 18 3HD1 LEU 18 -2.604 9.584 1.308 149 1HD2 LEU 18 1HD2 LEU 18 -0.951 7.115 -0.037 150 2HD2 LEU 18 2HD2 LEU 18 -2.706 7.068 -0.203 151 3HD2 LEU 18 3HD2 LEU 18 -1.863 5.767 0.646 152 H THR 19 H THR 19 1.988 7.498 1.092 153 HA THR 19 HA THR 19 1.414 5.217 -0.426 154 HB THR 19 HB THR 19 4.007 6.775 -0.269 155 HG1 THR 19 HG1 THR 19 2.725 8.239 -1.077 156 1HG2 THR 19 1HG2 THR 19 4.499 4.774 -1.429 157 2HG2 THR 19 2HG2 THR 19 4.272 6.032 -2.646 158 3HG2 THR 19 3HG2 THR 19 2.993 4.856 -2.344 159 H LEU 20 H LEU 20 3.511 5.748 2.344 160 HA LEU 20 HA LEU 20 5.062 3.414 2.215 161 1HB LEU 20 1HB LEU 20 5.300 5.409 3.794 162 2HB LEU 20 2HB LEU 20 4.051 4.659 4.768 163 HG LEU 20 HG LEU 20 6.290 2.874 4.117 164 1HD1 LEU 20 1HD1 LEU 20 6.746 5.247 5.918 165 2HD1 LEU 20 2HD1 LEU 20 7.511 4.981 4.351 166 3HD1 LEU 20 3HD1 LEU 20 7.841 3.884 5.690 167 1HD2 LEU 20 1HD2 LEU 20 4.440 2.362 5.690 168 2HD2 LEU 20 2HD2 LEU 20 5.027 3.650 6.741 169 3HD2 LEU 20 3HD2 LEU 20 6.040 2.243 6.421 170 H HIS 21 H HIS 21 1.795 4.008 3.343 171 HA HIS 21 HA HIS 21 1.334 1.535 4.621 172 1HB HIS 21 1HB HIS 21 -0.591 2.565 5.128 173 2HB HIS 21 2HB HIS 21 -0.080 3.934 4.185 174 HD1 HIS 21 HD1 HIS 21 -2.057 4.650 2.841 175 HD2 HIS 21 HD2 HIS 21 -1.642 0.529 2.910 176 HE1 HIS 21 HE1 HIS 21 -3.949 3.711 1.456 177 H ILE 22 H ILE 22 0.620 2.709 1.381 178 HA ILE 22 HA ILE 22 -0.683 0.407 0.476 179 HB ILE 22 HB ILE 22 0.822 2.242 -1.371 180 1HG1 ILE 22 1HG1 ILE 22 -1.989 2.863 -0.685 181 2HG1 ILE 22 2HG1 ILE 22 -0.815 3.245 0.552 182 1HG2 ILE 22 1HG2 ILE 22 -0.527 1.446 -3.006 183 2HG2 ILE 22 2HG2 ILE 22 -1.915 1.295 -1.926 184 3HG2 ILE 22 3HG2 ILE 22 -0.659 0.058 -1.926 185 1HD1 ILE 22 1HD1 ILE 22 0.268 4.228 -1.808 186 2HD1 ILE 22 2HD1 ILE 22 -0.473 5.145 -0.496 187 3HD1 ILE 22 3HD1 ILE 22 -1.448 4.629 -1.870 188 H LEU 23 H LEU 23 2.537 0.598 1.321 189 HA LEU 23 HA LEU 23 3.755 -0.930 -0.724 190 1HB LEU 23 1HB LEU 23 4.454 -0.031 1.982 191 2HB LEU 23 2HB LEU 23 5.181 -1.558 1.528 192 HG LEU 23 HG LEU 23 6.064 -0.428 -0.540 193 1HD1 LEU 23 1HD1 LEU 23 4.555 1.444 -0.670 194 2HD1 LEU 23 2HD1 LEU 23 6.202 2.040 -0.463 195 3HD1 LEU 23 3HD1 LEU 23 5.089 2.031 0.906 196 1HD2 LEU 23 1HD2 LEU 23 7.462 -0.845 1.421 197 2HD2 LEU 23 2HD2 LEU 23 6.952 0.692 2.116 198 3HD2 LEU 23 3HD2 LEU 23 7.902 0.669 0.631 199 H LEU 24 H LEU 24 1.917 -1.794 2.176 200 HA LEU 24 HA LEU 24 2.590 -4.543 2.194 201 1HB LEU 24 1HB LEU 24 0.140 -4.663 3.274 202 2HB LEU 24 2HB LEU 24 1.581 -4.213 4.156 203 HG LEU 24 HG LEU 24 0.959 -1.800 3.667 204 1HD1 LEU 24 1HD1 LEU 24 -0.617 -1.941 1.925 205 2HD1 LEU 24 2HD1 LEU 24 -1.563 -1.535 3.355 206 3HD1 LEU 24 3HD1 LEU 24 -1.542 -3.193 2.753 207 1HD2 LEU 24 1HD2 LEU 24 -1.141 -3.116 5.307 208 2HD2 LEU 24 2HD2 LEU 24 -0.178 -1.677 5.647 209 3HD2 LEU 24 3HD2 LEU 24 0.554 -3.278 5.769 210 H HIS 25 H HIS 25 0.212 -2.740 0.350 211 HA HIS 25 HA HIS 25 -1.443 -4.823 -0.488 212 1HB HIS 25 1HB HIS 25 -0.653 -2.219 -1.777 213 2HB HIS 25 2HB HIS 25 -1.746 -3.340 -2.581 214 HD1 HIS 25 HD1 HIS 25 -3.824 -4.094 -0.727 215 HD2 HIS 25 HD2 HIS 25 -2.019 -0.365 -0.439 216 HE1 HIS 25 HE1 HIS 25 -5.425 -2.626 0.569 217 H GLU 26 H GLU 26 1.463 -3.516 -2.101 218 HA GLU 26 HA GLU 26 1.463 -5.447 -4.184 219 1HB GLU 26 1HB GLU 26 2.708 -3.110 -3.912 220 2HB GLU 26 2HB GLU 26 4.007 -4.142 -3.334 221 1HG GLU 26 1HG GLU 26 2.631 -4.418 -5.997 222 2HG GLU 26 2HG GLU 26 4.180 -3.622 -5.729 223 H ASN 27 H ASN 27 3.240 -5.193 -1.115 224 HA ASN 27 HA ASN 27 4.561 -7.731 -1.532 225 1HB ASN 27 1HB ASN 27 5.504 -5.670 -0.285 226 2HB ASN 27 2HB ASN 27 4.512 -6.208 1.066 227 1HD2 ASN 27 1HD2 ASN 27 7.233 -6.965 -0.980 228 2HD2 ASN 27 2HD2 ASN 27 7.910 -8.184 0.039 229 H LYS 28 H LYS 28 2.486 -8.892 -1.791 230 HA LYS 28 HA LYS 28 1.749 -10.159 0.691 231 1HB LYS 28 1HB LYS 28 0.252 -8.121 0.490 232 2HB LYS 28 2HB LYS 28 -0.455 -8.879 -0.929 233 1HG LYS 28 1HG LYS 28 -1.881 -9.328 0.914 234 2HG LYS 28 2HG LYS 28 -1.053 -10.832 0.506 235 1HD LYS 28 1HD LYS 28 0.579 -9.515 2.382 236 2HD LYS 28 2HD LYS 28 -1.073 -9.381 2.985 237 1HE LYS 28 1HE LYS 28 -0.302 -11.392 3.887 238 2HE LYS 28 2HE LYS 28 -1.256 -11.888 2.491 239 1HZ LYS 28 1HZ LYS 28 0.687 -12.307 1.250 240 2HZ LYS 28 2HZ LYS 28 0.962 -13.005 2.766 241 3HZ LYS 28 3HZ LYS 28 1.685 -11.528 2.373 242 H LYS 29 H LYS 29 2.875 -11.797 -0.618 243 HA LYS 29 HA LYS 29 0.990 -13.508 -1.929 244 1HB LYS 29 1HB LYS 29 2.407 -13.689 -4.045 245 2HB LYS 29 2HB LYS 29 1.385 -12.268 -3.890 246 1HG LYS 29 1HG LYS 29 4.085 -11.897 -2.832 247 2HG LYS 29 2HG LYS 29 4.030 -12.256 -4.558 248 1HD LYS 29 1HD LYS 29 2.205 -10.191 -3.389 249 2HD LYS 29 2HD LYS 29 3.883 -9.788 -3.752 250 1HE LYS 29 1HE LYS 29 3.591 -10.011 -6.018 251 2HE LYS 29 2HE LYS 29 2.257 -11.152 -5.841 252 1HZ LYS 29 1HZ LYS 29 0.846 -9.324 -5.112 253 2HZ LYS 29 2HZ LYS 29 1.478 -9.021 -6.650 254 3HZ LYS 29 3HZ LYS 29 2.126 -8.233 -5.301 Start of MODEL 4 1 H TYR 1 H TYR 1 -7.806 14.547 6.203 2 HA TYR 1 HA TYR 1 -6.549 12.130 5.081 3 1HB TYR 1 1HB TYR 1 -9.366 12.781 5.987 4 2HB TYR 1 2HB TYR 1 -8.916 11.313 5.128 5 HD1 TYR 1 HD1 TYR 1 -6.248 10.881 6.586 6 HD2 TYR 1 HD2 TYR 1 -10.168 11.772 7.980 7 HE1 TYR 1 HE1 TYR 1 -5.728 9.792 8.727 8 HE2 TYR 1 HE2 TYR 1 -9.657 10.686 10.126 9 HH TYR 1 HH TYR 1 -7.015 10.214 11.367 10 H LYS 2 H LYS 2 -5.835 13.724 3.388 11 HA LYS 2 HA LYS 2 -7.975 14.638 1.618 12 1HB LYS 2 1HB LYS 2 -5.021 15.187 1.765 13 2HB LYS 2 2HB LYS 2 -5.962 15.625 0.346 14 1HG LYS 2 1HG LYS 2 -7.239 16.539 2.770 15 2HG LYS 2 2HG LYS 2 -5.584 17.140 2.641 16 1HD LYS 2 1HD LYS 2 -6.607 17.457 0.087 17 2HD LYS 2 2HD LYS 2 -7.959 17.882 1.139 18 1HE LYS 2 1HE LYS 2 -6.845 19.904 0.858 19 2HE LYS 2 2HE LYS 2 -6.240 19.320 2.407 20 1HZ LYS 2 1HZ LYS 2 -4.842 19.024 -0.200 21 2HZ LYS 2 2HZ LYS 2 -4.254 18.520 1.305 22 3HZ LYS 2 3HZ LYS 2 -4.463 20.168 0.988 23 H PHE 3 H PHE 3 -5.239 12.397 1.658 24 HA PHE 3 HA PHE 3 -5.731 11.591 -1.086 25 1HB PHE 3 1HB PHE 3 -3.605 11.119 0.939 26 2HB PHE 3 2HB PHE 3 -3.846 9.887 -0.282 27 HD1 PHE 3 HD1 PHE 3 -2.835 10.102 -2.360 28 HD2 PHE 3 HD2 PHE 3 -3.304 13.540 0.104 29 HE1 PHE 3 HE1 PHE 3 -1.484 11.417 -3.942 30 HE2 PHE 3 HE2 PHE 3 -1.956 14.860 -1.475 31 HZ PHE 3 HZ PHE 3 -1.045 13.798 -3.501 32 H ALA 4 H ALA 4 -5.733 9.189 -1.546 33 HA ALA 4 HA ALA 4 -6.926 7.487 0.465 34 1HB ALA 4 1HB ALA 4 -8.880 8.699 -0.340 35 2HB ALA 4 2HB ALA 4 -8.952 7.005 -0.820 36 3HB ALA 4 3HB ALA 4 -8.498 8.235 -1.998 37 H CYS 5 H CYS 5 -6.841 5.286 -0.059 38 HA CYS 5 HA CYS 5 -4.878 4.608 -2.060 39 1HB CYS 5 1HB CYS 5 -5.138 3.559 0.281 40 2HB CYS 5 2HB CYS 5 -6.446 2.625 -0.428 41 HG CYS 5 HG CYS 5 -4.793 1.101 -1.375 42 HA PRO 6 HA PRO 6 -7.783 3.553 -5.251 43 1HB PRO 6 1HB PRO 6 -6.148 2.131 -6.865 44 2HB PRO 6 2HB PRO 6 -6.023 3.886 -6.703 45 1HG PRO 6 1HG PRO 6 -4.382 1.743 -5.412 46 2HG PRO 6 2HG PRO 6 -3.855 3.275 -6.133 47 1HD PRO 6 1HD PRO 6 -4.158 2.910 -3.450 48 2HD PRO 6 2HD PRO 6 -4.370 4.482 -4.249 49 H GLU 7 H GLU 7 -6.128 1.190 -3.315 50 HA GLU 7 HA GLU 7 -7.784 -0.987 -4.354 51 1HB GLU 7 1HB GLU 7 -5.203 -0.815 -2.876 52 2HB GLU 7 2HB GLU 7 -6.202 -2.234 -2.621 53 1HG GLU 7 1HG GLU 7 -4.757 -2.853 -4.330 54 2HG GLU 7 2HG GLU 7 -6.253 -2.438 -5.166 55 H CYS 8 H CYS 8 -6.856 0.551 -1.270 56 HA CYS 8 HA CYS 8 -9.265 -0.628 -0.045 57 1HB CYS 8 1HB CYS 8 -8.140 -0.537 2.086 58 2HB CYS 8 2HB CYS 8 -7.098 -1.353 0.931 59 HG CYS 8 HG CYS 8 -5.434 0.485 1.084 60 HA PRO 9 HA PRO 9 -10.669 3.455 0.889 61 1HB PRO 9 1HB PRO 9 -12.221 3.040 3.016 62 2HB PRO 9 2HB PRO 9 -12.560 2.254 1.471 63 1HG PRO 9 1HG PRO 9 -11.362 1.122 3.949 64 2HG PRO 9 2HG PRO 9 -12.418 0.349 2.757 65 1HD PRO 9 1HD PRO 9 -9.604 0.146 2.904 66 2HD PRO 9 2HD PRO 9 -10.636 -0.407 1.575 67 H LYS 10 H LYS 10 -7.960 3.123 1.990 68 HA LYS 10 HA LYS 10 -8.074 4.262 4.652 69 1HB LYS 10 1HB LYS 10 -5.666 3.754 2.892 70 2HB LYS 10 2HB LYS 10 -5.626 4.221 4.568 71 1HG LYS 10 1HG LYS 10 -7.079 1.743 3.792 72 2HG LYS 10 2HG LYS 10 -5.318 1.732 3.900 73 1HD LYS 10 1HD LYS 10 -5.353 2.289 6.191 74 2HD LYS 10 2HD LYS 10 -7.053 2.758 6.132 75 1HE LYS 10 1HE LYS 10 -7.485 0.308 5.475 76 2HE LYS 10 2HE LYS 10 -5.852 0.009 6.066 77 1HZ LYS 10 1HZ LYS 10 -7.483 -0.392 7.790 78 2HZ LYS 10 2HZ LYS 10 -8.083 1.183 7.639 79 3HZ LYS 10 3HZ LYS 10 -6.511 0.927 8.212 80 H ARG 11 H ARG 11 -7.035 6.267 5.200 81 HA ARG 11 HA ARG 11 -6.695 8.216 3.052 82 1HB ARG 11 1HB ARG 11 -8.130 9.858 4.346 83 2HB ARG 11 2HB ARG 11 -8.992 8.572 3.514 84 1HG ARG 11 1HG ARG 11 -9.013 7.332 5.715 85 2HG ARG 11 2HG ARG 11 -8.440 8.827 6.457 86 1HD ARG 11 1HD ARG 11 -10.681 9.125 6.722 87 2HD ARG 11 2HD ARG 11 -10.492 9.840 5.124 88 HE ARG 11 HE ARG 11 -11.708 7.260 5.759 89 1HH1 ARG 11 1HH1 ARG 11 -10.787 9.601 3.314 90 2HH1 ARG 11 2HH1 ARG 11 -11.777 8.886 2.089 91 1HH2 ARG 11 1HH2 ARG 11 -13.006 6.332 4.138 92 2HH2 ARG 11 2HH2 ARG 11 -13.037 7.033 2.555 93 H PHE 12 H PHE 12 -5.081 9.635 3.457 94 HA PHE 12 HA PHE 12 -4.143 9.924 6.228 95 1HB PHE 12 1HB PHE 12 -2.280 9.470 3.925 96 2HB PHE 12 2HB PHE 12 -1.856 9.547 5.620 97 HD1 PHE 12 HD1 PHE 12 -4.232 7.611 3.484 98 HD2 PHE 12 HD2 PHE 12 -1.298 7.523 6.565 99 HE1 PHE 12 HE1 PHE 12 -4.453 5.182 3.611 100 HE2 PHE 12 HE2 PHE 12 -1.521 5.072 6.696 101 HZ PHE 12 HZ PHE 12 -3.101 3.900 5.202 102 H MET 13 H MET 13 -2.903 11.803 6.661 103 HA MET 13 HA MET 13 -3.702 14.078 5.079 104 1HB MET 13 1HB MET 13 -1.991 13.876 7.565 105 2HB MET 13 2HB MET 13 -2.499 15.387 6.824 106 1HG MET 13 1HG MET 13 -4.865 14.665 7.173 107 2HG MET 13 2HG MET 13 -4.245 13.300 8.100 108 1HE MET 13 1HE MET 13 -5.179 16.959 7.981 109 2HE MET 13 2HE MET 13 -5.331 17.266 9.711 110 3HE MET 13 3HE MET 13 -6.258 15.966 8.960 111 H ARG 14 H ARG 14 -0.856 12.104 5.447 112 HA ARG 14 HA ARG 14 0.779 14.010 3.932 113 1HB ARG 14 1HB ARG 14 1.504 11.476 5.411 114 2HB ARG 14 2HB ARG 14 2.648 12.433 4.483 115 1HG ARG 14 1HG ARG 14 3.029 13.214 6.601 116 2HG ARG 14 2HG ARG 14 1.837 14.379 6.022 117 1HD ARG 14 1HD ARG 14 1.403 13.533 8.327 118 2HD ARG 14 2HD ARG 14 0.076 13.263 7.195 119 HE ARG 14 HE ARG 14 1.917 11.050 7.476 120 1HH1 ARG 14 1HH1 ARG 14 -1.048 12.513 8.627 121 2HH1 ARG 14 2HH1 ARG 14 -1.680 11.029 9.253 122 1HH2 ARG 14 1HH2 ARG 14 1.080 9.099 8.302 123 2HH2 ARG 14 2HH2 ARG 14 -0.472 9.091 9.071 124 H SER 15 H SER 15 2.082 13.205 2.138 125 HA SER 15 HA SER 15 0.544 11.348 0.492 126 1HB SER 15 1HB SER 15 0.928 12.963 -0.973 127 2HB SER 15 2HB SER 15 2.241 13.660 -0.027 128 HG SER 15 HG SER 15 3.652 12.562 -1.173 129 H ASP 16 H ASP 16 3.871 11.836 1.652 130 HA ASP 16 HA ASP 16 4.922 9.482 0.456 131 1HB ASP 16 1HB ASP 16 6.049 11.660 1.610 132 2HB ASP 16 2HB ASP 16 6.237 10.480 2.901 133 H HIS 17 H HIS 17 3.924 10.223 3.806 134 HA HIS 17 HA HIS 17 4.447 7.685 4.887 135 1HB HIS 17 1HB HIS 17 2.669 9.963 5.674 136 2HB HIS 17 2HB HIS 17 2.499 8.421 6.500 137 HD1 HIS 17 HD1 HIS 17 3.290 9.876 8.616 138 HD2 HIS 17 HD2 HIS 17 6.151 9.199 5.680 139 HE1 HIS 17 HE1 HIS 17 5.494 10.404 9.692 140 HE2 HIS 17 HE2 HIS 17 7.220 9.891 7.932 141 H LEU 18 H LEU 18 1.531 9.003 3.351 142 HA LEU 18 HA LEU 18 -0.188 6.846 3.804 143 1HB LEU 18 1HB LEU 18 -0.830 9.068 2.911 144 2HB LEU 18 2HB LEU 18 -0.091 8.649 1.389 145 HG LEU 18 HG LEU 18 -2.261 6.933 2.518 146 1HD1 LEU 18 1HD1 LEU 18 -3.421 8.914 2.598 147 2HD1 LEU 18 2HD1 LEU 18 -3.732 8.392 0.944 148 3HD1 LEU 18 3HD1 LEU 18 -2.508 9.622 1.268 149 1HD2 LEU 18 1HD2 LEU 18 -1.743 5.832 0.661 150 2HD2 LEU 18 2HD2 LEU 18 -0.791 7.177 0.027 151 3HD2 LEU 18 3HD2 LEU 18 -2.540 7.151 -0.203 152 H THR 19 H THR 19 2.040 7.506 1.112 153 HA THR 19 HA THR 19 1.412 5.245 -0.396 154 HB THR 19 HB THR 19 4.049 6.725 -0.246 155 HG1 THR 19 HG1 THR 19 2.804 8.222 -1.056 156 1HG2 THR 19 1HG2 THR 19 4.560 4.783 -1.426 157 2HG2 THR 19 2HG2 THR 19 4.192 5.973 -2.675 158 3HG2 THR 19 3HG2 THR 19 2.995 4.755 -2.237 159 H LEU 20 H LEU 20 3.549 5.703 2.355 160 HA LEU 20 HA LEU 20 5.027 3.328 2.220 161 1HB LEU 20 1HB LEU 20 5.387 5.271 3.789 162 2HB LEU 20 2HB LEU 20 4.049 4.667 4.744 163 HG LEU 20 HG LEU 20 5.867 2.513 4.362 164 1HD1 LEU 20 1HD1 LEU 20 7.561 4.206 3.868 165 2HD1 LEU 20 2HD1 LEU 20 7.878 3.401 5.404 166 3HD1 LEU 20 3HD1 LEU 20 7.187 5.023 5.384 167 1HD2 LEU 20 1HD2 LEU 20 5.961 2.562 6.787 168 2HD2 LEU 20 2HD2 LEU 20 4.308 2.825 6.235 169 3HD2 LEU 20 3HD2 LEU 20 5.275 4.186 6.801 170 H HIS 21 H HIS 21 1.795 4.011 3.427 171 HA HIS 21 HA HIS 21 1.271 1.552 4.682 172 1HB HIS 21 1HB HIS 21 -0.661 2.588 5.164 173 2HB HIS 21 2HB HIS 21 -0.081 3.974 4.285 174 HD1 HIS 21 HD1 HIS 21 -1.927 4.803 2.830 175 HD2 HIS 21 HD2 HIS 21 -1.781 0.670 2.924 176 HE1 HIS 21 HE1 HIS 21 -3.810 3.975 1.363 177 H ILE 22 H ILE 22 0.495 2.742 1.453 178 HA ILE 22 HA ILE 22 -0.893 0.548 0.520 179 HB ILE 22 HB ILE 22 0.839 2.253 -1.260 180 1HG1 ILE 22 1HG1 ILE 22 -1.999 2.954 -0.725 181 2HG1 ILE 22 2HG1 ILE 22 -0.849 3.351 0.530 182 1HG2 ILE 22 1HG2 ILE 22 -0.573 1.644 -2.984 183 2HG2 ILE 22 2HG2 ILE 22 -1.897 1.239 -1.890 184 3HG2 ILE 22 3HG2 ILE 22 -0.514 0.153 -2.042 185 1HD1 ILE 22 1HD1 ILE 22 -0.463 5.215 -0.570 186 2HD1 ILE 22 2HD1 ILE 22 -1.375 4.655 -1.969 187 3HD1 ILE 22 3HD1 ILE 22 0.333 4.244 -1.806 188 H LEU 23 H LEU 23 2.460 0.668 1.207 189 HA LEU 23 HA LEU 23 3.501 -1.135 -0.656 190 1HB LEU 23 1HB LEU 23 4.259 -0.150 1.994 191 2HB LEU 23 2HB LEU 23 4.802 -1.786 1.689 192 HG LEU 23 HG LEU 23 6.524 -0.152 1.115 193 1HD1 LEU 23 1HD1 LEU 23 6.222 -2.307 -0.160 194 2HD1 LEU 23 2HD1 LEU 23 7.132 -1.042 -0.986 195 3HD1 LEU 23 3HD1 LEU 23 5.452 -1.349 -1.425 196 1HD2 LEU 23 1HD2 LEU 23 4.987 1.697 0.529 197 2HD2 LEU 23 2HD2 LEU 23 4.597 0.858 -0.973 198 3HD2 LEU 23 3HD2 LEU 23 6.241 1.428 -0.682 199 H LEU 24 H LEU 24 1.388 -1.624 2.086 200 HA LEU 24 HA LEU 24 1.725 -4.329 2.630 201 1HB LEU 24 1HB LEU 24 -0.952 -2.939 2.499 202 2HB LEU 24 2HB LEU 24 -0.537 -4.342 3.460 203 HG LEU 24 HG LEU 24 1.030 -1.899 4.025 204 1HD1 LEU 24 1HD1 LEU 24 -0.666 -0.742 5.181 205 2HD1 LEU 24 2HD1 LEU 24 -1.803 -2.080 5.018 206 3HD1 LEU 24 3HD1 LEU 24 -1.359 -1.124 3.604 207 1HD2 LEU 24 1HD2 LEU 24 0.698 -2.668 6.325 208 2HD2 LEU 24 2HD2 LEU 24 1.332 -3.954 5.298 209 3HD2 LEU 24 3HD2 LEU 24 -0.374 -3.942 5.744 210 H HIS 25 H HIS 25 -0.347 -2.787 0.192 211 HA HIS 25 HA HIS 25 -1.311 -5.239 -0.906 212 1HB HIS 25 1HB HIS 25 -1.291 -2.628 -2.403 213 2HB HIS 25 2HB HIS 25 -2.476 -3.927 -2.470 214 HD1 HIS 25 HD1 HIS 25 -3.928 -4.179 -0.118 215 HD2 HIS 25 HD2 HIS 25 -1.995 -0.573 -0.831 216 HE1 HIS 25 HE1 HIS 25 -5.016 -2.475 1.405 217 H GLU 26 H GLU 26 1.346 -3.052 -1.682 218 HA GLU 26 HA GLU 26 2.037 -4.020 -4.205 219 1HB GLU 26 1HB GLU 26 3.891 -2.978 -2.052 220 2HB GLU 26 2HB GLU 26 4.284 -3.121 -3.759 221 1HG GLU 26 1HG GLU 26 2.226 -1.306 -2.524 222 2HG GLU 26 2HG GLU 26 3.767 -0.836 -3.238 223 H ASN 27 H ASN 27 3.487 -4.930 -1.069 224 HA ASN 27 HA ASN 27 3.676 -7.692 -1.883 225 1HB ASN 27 1HB ASN 27 5.996 -5.893 -2.015 226 2HB ASN 27 2HB ASN 27 6.281 -7.354 -1.075 227 1HD2 ASN 27 1HD2 ASN 27 5.603 -9.413 -2.156 228 2HD2 ASN 27 2HD2 ASN 27 5.907 -9.548 -3.851 229 H LYS 28 H LYS 28 3.311 -8.930 -0.161 230 HA LYS 28 HA LYS 28 4.379 -8.307 2.435 231 1HB LYS 28 1HB LYS 28 2.292 -6.885 2.228 232 2HB LYS 28 2HB LYS 28 1.373 -8.382 2.173 233 1HG LYS 28 1HG LYS 28 1.309 -8.386 4.382 234 2HG LYS 28 2HG LYS 28 3.064 -8.566 4.413 235 1HD LYS 28 1HD LYS 28 3.337 -6.154 4.385 236 2HD LYS 28 2HD LYS 28 1.591 -5.937 4.259 237 1HE LYS 28 1HE LYS 28 1.986 -5.607 6.520 238 2HE LYS 28 2HE LYS 28 1.497 -7.299 6.453 239 1HZ LYS 28 1HZ LYS 28 3.447 -6.962 7.857 240 2HZ LYS 28 2HZ LYS 28 4.306 -6.332 6.542 241 3HZ LYS 28 3HZ LYS 28 3.812 -7.950 6.532 242 H LYS 29 H LYS 29 5.053 -10.211 3.154 243 HA LYS 29 HA LYS 29 3.630 -12.643 2.337 244 1HB LYS 29 1HB LYS 29 6.429 -11.991 2.996 245 2HB LYS 29 2HB LYS 29 5.864 -13.532 3.627 246 1HG LYS 29 1HG LYS 29 4.979 -13.419 0.968 247 2HG LYS 29 2HG LYS 29 6.645 -12.835 0.960 248 1HD LYS 29 1HD LYS 29 6.897 -15.131 0.705 249 2HD LYS 29 2HD LYS 29 7.130 -14.902 2.438 250 1HE LYS 29 1HE LYS 29 5.676 -16.683 2.418 251 2HE LYS 29 2HE LYS 29 4.553 -15.331 2.545 252 1HZ LYS 29 1HZ LYS 29 4.169 -15.453 0.175 253 2HZ LYS 29 2HZ LYS 29 3.857 -16.958 0.882 254 3HZ LYS 29 3HZ LYS 29 5.290 -16.710 0.019 Start of MODEL 5 1 H TYR 1 H TYR 1 -9.789 15.460 3.517 2 HA TYR 1 HA TYR 1 -7.815 14.064 3.943 3 1HB TYR 1 1HB TYR 1 -9.933 11.897 3.968 4 2HB TYR 1 2HB TYR 1 -8.192 11.638 3.995 5 HD1 TYR 1 HD1 TYR 1 -6.887 12.503 6.010 6 HD2 TYR 1 HD2 TYR 1 -11.132 12.199 5.960 7 HE1 TYR 1 HE1 TYR 1 -6.916 12.577 8.467 8 HE2 TYR 1 HE2 TYR 1 -11.172 12.274 8.417 9 HH TYR 1 HH TYR 1 -9.256 13.365 10.260 10 H LYS 2 H LYS 2 -7.100 14.592 1.968 11 HA LYS 2 HA LYS 2 -8.687 13.946 -0.391 12 1HB LYS 2 1HB LYS 2 -6.691 15.930 0.283 13 2HB LYS 2 2HB LYS 2 -6.279 15.111 -1.217 14 1HG LYS 2 1HG LYS 2 -9.003 15.663 -1.423 15 2HG LYS 2 2HG LYS 2 -8.288 17.109 -0.707 16 1HD LYS 2 1HD LYS 2 -7.167 17.639 -2.590 17 2HD LYS 2 2HD LYS 2 -6.769 15.957 -2.945 18 1HE LYS 2 1HE LYS 2 -8.638 15.634 -4.195 19 2HE LYS 2 2HE LYS 2 -9.606 16.749 -3.235 20 1HZ LYS 2 1HZ LYS 2 -8.530 18.599 -4.317 21 2HZ LYS 2 2HZ LYS 2 -9.188 17.570 -5.487 22 3HZ LYS 2 3HZ LYS 2 -7.523 17.558 -5.193 23 H PHE 3 H PHE 3 -6.055 12.611 1.364 24 HA PHE 3 HA PHE 3 -4.949 11.201 -0.908 25 1HB PHE 3 1HB PHE 3 -4.213 10.745 1.974 26 2HB PHE 3 2HB PHE 3 -3.246 10.507 0.547 27 HD1 PHE 3 HD1 PHE 3 -2.016 12.286 -0.466 28 HD2 PHE 3 HD2 PHE 3 -4.559 13.018 2.865 29 HE1 PHE 3 HE1 PHE 3 -0.995 14.505 -0.177 30 HE2 PHE 3 HE2 PHE 3 -3.541 15.237 3.161 31 HZ PHE 3 HZ PHE 3 -1.756 15.984 1.638 32 H ALA 4 H ALA 4 -5.812 9.355 -1.592 33 HA ALA 4 HA ALA 4 -6.902 7.462 0.366 34 1HB ALA 4 1HB ALA 4 -8.347 8.347 -2.129 35 2HB ALA 4 2HB ALA 4 -8.829 8.671 -0.465 36 3HB ALA 4 3HB ALA 4 -8.845 7.019 -1.082 37 H CYS 5 H CYS 5 -6.768 5.293 -0.219 38 HA CYS 5 HA CYS 5 -4.733 4.688 -2.176 39 1HB CYS 5 1HB CYS 5 -4.941 3.583 0.100 40 2HB CYS 5 2HB CYS 5 -6.332 2.721 -0.535 41 HG CYS 5 HG CYS 5 -3.569 2.341 -1.885 42 HA PRO 6 HA PRO 6 -7.521 3.778 -5.511 43 1HB PRO 6 1HB PRO 6 -5.885 2.182 -6.996 44 2HB PRO 6 2HB PRO 6 -5.734 3.941 -6.935 45 1HG PRO 6 1HG PRO 6 -4.180 1.855 -5.456 46 2HG PRO 6 2HG PRO 6 -3.599 3.331 -6.250 47 1HD PRO 6 1HD PRO 6 -3.958 3.176 -3.579 48 2HD PRO 6 2HD PRO 6 -4.230 4.680 -4.486 49 H GLU 7 H GLU 7 -6.117 1.339 -3.472 50 HA GLU 7 HA GLU 7 -7.945 -0.700 -4.528 51 1HB GLU 7 1HB GLU 7 -5.344 -1.001 -4.106 52 2HB GLU 7 2HB GLU 7 -5.883 -1.328 -2.465 53 1HG GLU 7 1HG GLU 7 -7.143 -2.754 -4.765 54 2HG GLU 7 2HG GLU 7 -5.581 -3.279 -4.139 55 H CYS 8 H CYS 8 -6.822 0.674 -1.422 56 HA CYS 8 HA CYS 8 -9.332 -0.269 -0.200 57 1HB CYS 8 1HB CYS 8 -8.204 -0.293 1.925 58 2HB CYS 8 2HB CYS 8 -7.232 -1.180 0.765 59 HG CYS 8 HG CYS 8 -5.427 0.528 0.922 60 HA PRO 9 HA PRO 9 -10.361 3.921 0.790 61 1HB PRO 9 1HB PRO 9 -12.059 3.577 2.802 62 2HB PRO 9 2HB PRO 9 -12.370 2.839 1.227 63 1HG PRO 9 1HG PRO 9 -11.378 1.585 3.743 64 2HG PRO 9 2HG PRO 9 -12.445 0.915 2.499 65 1HD PRO 9 1HD PRO 9 -9.658 0.489 2.748 66 2HD PRO 9 2HD PRO 9 -10.682 0.035 1.373 67 H LYS 10 H LYS 10 -7.745 3.292 2.032 68 HA LYS 10 HA LYS 10 -7.892 4.246 4.747 69 1HB LYS 10 1HB LYS 10 -5.428 3.897 3.024 70 2HB LYS 10 2HB LYS 10 -5.466 4.121 4.750 71 1HG LYS 10 1HG LYS 10 -6.953 1.819 3.624 72 2HG LYS 10 2HG LYS 10 -5.191 1.740 3.692 73 1HD LYS 10 1HD LYS 10 -5.335 2.324 6.117 74 2HD LYS 10 2HD LYS 10 -7.091 2.183 5.992 75 1HE LYS 10 1HE LYS 10 -6.512 -0.168 4.981 76 2HE LYS 10 2HE LYS 10 -4.994 0.065 5.847 77 1HZ LYS 10 1HZ LYS 10 -6.269 0.402 7.886 78 2HZ LYS 10 2HZ LYS 10 -6.578 -1.117 7.211 79 3HZ LYS 10 3HZ LYS 10 -7.711 0.127 7.045 80 H ARG 11 H ARG 11 -6.862 6.169 5.524 81 HA ARG 11 HA ARG 11 -6.473 8.319 3.578 82 1HB ARG 11 1HB ARG 11 -7.889 9.863 4.838 83 2HB ARG 11 2HB ARG 11 -8.821 8.491 4.265 84 1HG ARG 11 1HG ARG 11 -7.692 8.471 7.031 85 2HG ARG 11 2HG ARG 11 -9.161 9.378 6.678 86 1HD ARG 11 1HD ARG 11 -10.276 7.476 6.991 87 2HD ARG 11 2HD ARG 11 -9.585 6.925 5.465 88 HE ARG 11 HE ARG 11 -7.832 6.463 7.673 89 1HH1 ARG 11 1HH1 ARG 11 -10.653 5.193 6.030 90 2HH1 ARG 11 2HH1 ARG 11 -10.364 3.565 6.537 91 1HH2 ARG 11 1HH2 ARG 11 -7.456 4.314 8.332 92 2HH2 ARG 11 2HH2 ARG 11 -8.551 3.064 7.843 93 H PHE 12 H PHE 12 -4.810 9.648 4.077 94 HA PHE 12 HA PHE 12 -3.754 9.570 6.823 95 1HB PHE 12 1HB PHE 12 -2.079 9.387 4.343 96 2HB PHE 12 2HB PHE 12 -1.484 9.343 5.986 97 HD1 PHE 12 HD1 PHE 12 -4.036 7.561 3.943 98 HD2 PHE 12 HD2 PHE 12 -0.854 7.247 6.741 99 HE1 PHE 12 HE1 PHE 12 -4.259 5.132 3.902 100 HE2 PHE 12 HE2 PHE 12 -1.076 4.792 6.709 101 HZ PHE 12 HZ PHE 12 -2.790 3.734 5.271 102 H MET 13 H MET 13 -2.618 11.406 7.515 103 HA MET 13 HA MET 13 -3.499 13.868 6.402 104 1HB MET 13 1HB MET 13 -1.539 13.158 8.573 105 2HB MET 13 2HB MET 13 -1.785 14.825 8.072 106 1HG MET 13 1HG MET 13 -4.011 14.832 8.801 107 2HG MET 13 2HG MET 13 -4.065 13.075 8.919 108 1HE MET 13 1HE MET 13 -2.615 11.703 10.789 109 2HE MET 13 2HE MET 13 -4.299 12.099 11.130 110 3HE MET 13 3HE MET 13 -3.077 12.285 12.389 111 H ARG 14 H ARG 14 -0.527 12.004 6.153 112 HA ARG 14 HA ARG 14 0.710 14.102 4.522 113 1HB ARG 14 1HB ARG 14 1.793 11.619 5.839 114 2HB ARG 14 2HB ARG 14 2.724 12.530 4.662 115 1HG ARG 14 1HG ARG 14 3.379 13.947 6.229 116 2HG ARG 14 2HG ARG 14 1.704 14.330 6.626 117 1HD ARG 14 1HD ARG 14 1.927 13.276 8.566 118 2HD ARG 14 2HD ARG 14 2.269 11.774 7.704 119 HE ARG 14 HE ARG 14 4.538 12.101 8.058 120 1HH1 ARG 14 1HH1 ARG 14 2.731 14.874 9.210 121 2HH1 ARG 14 2HH1 ARG 14 4.061 15.515 10.112 122 1HH2 ARG 14 1HH2 ARG 14 6.281 12.952 9.252 123 2HH2 ARG 14 2HH2 ARG 14 6.074 14.427 10.137 124 H SER 15 H SER 15 1.785 13.474 2.516 125 HA SER 15 HA SER 15 0.106 11.672 0.970 126 1HB SER 15 1HB SER 15 0.462 13.081 -0.685 127 2HB SER 15 2HB SER 15 1.393 14.094 0.412 128 HG SER 15 HG SER 15 3.214 13.364 -0.437 129 H ASP 16 H ASP 16 3.548 12.072 1.769 130 HA ASP 16 HA ASP 16 4.444 9.795 0.341 131 1HB ASP 16 1HB ASP 16 5.664 11.878 1.684 132 2HB ASP 16 2HB ASP 16 6.045 10.483 2.687 133 H HIS 17 H HIS 17 3.568 10.301 3.751 134 HA HIS 17 HA HIS 17 4.241 7.762 4.714 135 1HB HIS 17 1HB HIS 17 2.457 9.956 5.609 136 2HB HIS 17 2HB HIS 17 2.148 8.367 6.290 137 HD1 HIS 17 HD1 HIS 17 2.883 9.400 8.596 138 HD2 HIS 17 HD2 HIS 17 5.876 9.182 5.723 139 HE1 HIS 17 HE1 HIS 17 5.033 9.746 9.838 140 HE2 HIS 17 HE2 HIS 17 6.839 9.553 8.095 141 H LEU 18 H LEU 18 1.151 8.955 3.393 142 HA LEU 18 HA LEU 18 -0.352 6.629 3.722 143 1HB LEU 18 1HB LEU 18 -1.223 8.849 3.028 144 2HB LEU 18 2HB LEU 18 -0.532 8.600 1.447 145 HG LEU 18 HG LEU 18 -2.467 6.596 2.523 146 1HD1 LEU 18 1HD1 LEU 18 -3.613 8.735 0.885 147 2HD1 LEU 18 2HD1 LEU 18 -3.178 9.205 2.529 148 3HD1 LEU 18 3HD1 LEU 18 -4.294 7.866 2.257 149 1HD2 LEU 18 1HD2 LEU 18 -2.931 7.132 -0.151 150 2HD2 LEU 18 2HD2 LEU 18 -2.058 5.749 0.522 151 3HD2 LEU 18 3HD2 LEU 18 -1.176 7.194 0.018 152 H THR 19 H THR 19 1.664 7.677 0.989 153 HA THR 19 HA THR 19 1.153 5.481 -0.657 154 HB THR 19 HB THR 19 3.713 7.095 -0.538 155 HG1 THR 19 HG1 THR 19 1.306 7.607 -1.951 156 1HG2 THR 19 1HG2 THR 19 3.996 5.221 -1.997 157 2HG2 THR 19 2HG2 THR 19 3.793 6.676 -2.971 158 3HG2 THR 19 3HG2 THR 19 2.453 5.545 -2.786 159 H LEU 20 H LEU 20 3.388 5.931 2.019 160 HA LEU 20 HA LEU 20 5.001 3.650 1.595 161 1HB LEU 20 1HB LEU 20 5.368 5.618 3.207 162 2HB LEU 20 2HB LEU 20 4.296 4.766 4.302 163 HG LEU 20 HG LEU 20 6.493 3.116 3.270 164 1HD1 LEU 20 1HD1 LEU 20 7.099 5.460 5.067 165 2HD1 LEU 20 2HD1 LEU 20 7.672 5.244 3.413 166 3HD1 LEU 20 3HD1 LEU 20 8.202 4.139 4.681 167 1HD2 LEU 20 1HD2 LEU 20 5.501 3.740 6.051 168 2HD2 LEU 20 2HD2 LEU 20 6.627 2.455 5.609 169 3HD2 LEU 20 3HD2 LEU 20 4.959 2.400 5.039 170 H HIS 21 H HIS 21 1.885 4.150 3.129 171 HA HIS 21 HA HIS 21 1.584 1.697 4.438 172 1HB HIS 21 1HB HIS 21 -0.379 2.639 5.009 173 2HB HIS 21 2HB HIS 21 0.050 4.015 4.032 174 HD1 HIS 21 HD1 HIS 21 -2.035 4.648 2.789 175 HD2 HIS 21 HD2 HIS 21 -1.424 0.556 2.799 176 HE1 HIS 21 HE1 HIS 21 -3.912 3.627 1.437 177 H ILE 22 H ILE 22 0.533 2.743 1.253 178 HA ILE 22 HA ILE 22 -0.791 0.500 0.421 179 HB ILE 22 HB ILE 22 0.820 2.222 -1.454 180 1HG1 ILE 22 1HG1 ILE 22 -2.021 2.824 -0.803 181 2HG1 ILE 22 2HG1 ILE 22 -0.825 3.308 0.374 182 1HG2 ILE 22 1HG2 ILE 22 -0.747 1.615 -3.094 183 2HG2 ILE 22 2HG2 ILE 22 -1.883 0.996 -1.895 184 3HG2 ILE 22 3HG2 ILE 22 -0.399 0.108 -2.246 185 1HD1 ILE 22 1HD1 ILE 22 -1.461 4.414 -2.243 186 2HD1 ILE 22 2HD1 ILE 22 0.264 4.246 -1.918 187 3HD1 ILE 22 3HD1 ILE 22 -0.754 5.177 -0.820 188 H LEU 23 H LEU 23 2.584 0.666 0.965 189 HA LEU 23 HA LEU 23 3.551 -1.160 -0.924 190 1HB LEU 23 1HB LEU 23 4.465 -0.018 1.585 191 2HB LEU 23 2HB LEU 23 4.968 -1.687 1.418 192 HG LEU 23 HG LEU 23 5.460 0.327 -0.760 193 1HD1 LEU 23 1HD1 LEU 23 7.275 -0.339 1.554 194 2HD1 LEU 23 2HD1 LEU 23 6.462 1.203 1.285 195 3HD1 LEU 23 3HD1 LEU 23 7.699 0.649 0.156 196 1HD2 LEU 23 1HD2 LEU 23 5.673 -1.991 -1.407 197 2HD2 LEU 23 2HD2 LEU 23 6.724 -2.311 -0.027 198 3HD2 LEU 23 3HD2 LEU 23 7.272 -1.251 -1.326 199 H LEU 24 H LEU 24 1.698 -1.646 2.028 200 HA LEU 24 HA LEU 24 2.186 -4.357 2.487 201 1HB LEU 24 1HB LEU 24 -0.165 -4.381 3.465 202 2HB LEU 24 2HB LEU 24 0.999 -3.282 4.173 203 HG LEU 24 HG LEU 24 -0.206 -1.671 2.320 204 1HD1 LEU 24 1HD1 LEU 24 -2.408 -3.339 3.506 205 2HD1 LEU 24 2HD1 LEU 24 -1.851 -3.480 1.840 206 3HD1 LEU 24 3HD1 LEU 24 -2.564 -1.968 2.405 207 1HD2 LEU 24 1HD2 LEU 24 0.327 -1.315 4.759 208 2HD2 LEU 24 2HD2 LEU 24 -1.232 -2.058 5.119 209 3HD2 LEU 24 3HD2 LEU 24 -1.161 -0.567 4.179 210 H HIS 25 H HIS 25 -0.107 -2.830 0.264 211 HA HIS 25 HA HIS 25 -1.587 -5.062 -0.482 212 1HB HIS 25 1HB HIS 25 -0.799 -2.643 -2.114 213 2HB HIS 25 2HB HIS 25 -1.997 -3.829 -2.625 214 HD1 HIS 25 HD1 HIS 25 -4.130 -4.043 -0.892 215 HD2 HIS 25 HD2 HIS 25 -1.778 -0.630 -0.633 216 HE1 HIS 25 HE1 HIS 25 -5.498 -2.330 0.370 217 H GLU 26 H GLU 26 1.633 -4.087 -1.478 218 HA GLU 26 HA GLU 26 1.928 -5.604 -3.792 219 1HB GLU 26 1HB GLU 26 3.528 -3.894 -2.604 220 2HB GLU 26 2HB GLU 26 4.202 -5.338 -1.861 221 1HG GLU 26 1HG GLU 26 4.401 -6.231 -4.259 222 2HG GLU 26 2HG GLU 26 4.158 -4.556 -4.749 223 H ASN 27 H ASN 27 3.210 -6.541 -0.581 224 HA ASN 27 HA ASN 27 2.083 -9.101 -0.520 225 1HB ASN 27 1HB ASN 27 4.292 -10.385 -0.917 226 2HB ASN 27 2HB ASN 27 3.373 -9.859 -2.320 227 1HD2 ASN 27 1HD2 ASN 27 4.420 -8.763 -3.836 228 2HD2 ASN 27 2HD2 ASN 27 5.966 -8.015 -3.650 229 H LYS 28 H LYS 28 2.379 -10.040 1.446 230 HA LYS 28 HA LYS 28 4.640 -9.337 3.114 231 1HB LYS 28 1HB LYS 28 2.020 -8.080 3.434 232 2HB LYS 28 2HB LYS 28 2.569 -8.885 4.897 233 1HG LYS 28 1HG LYS 28 4.198 -6.870 3.367 234 2HG LYS 28 2HG LYS 28 3.184 -6.486 4.759 235 1HD LYS 28 1HD LYS 28 4.507 -8.147 6.081 236 2HD LYS 28 2HD LYS 28 5.590 -8.303 4.697 237 1HE LYS 28 1HE LYS 28 6.089 -5.905 4.831 238 2HE LYS 28 2HE LYS 28 5.018 -5.765 6.225 239 1HZ LYS 28 1HZ LYS 28 7.306 -5.933 6.929 240 2HZ LYS 28 2HZ LYS 28 7.504 -7.387 6.087 241 3HZ LYS 28 3HZ LYS 28 6.462 -7.316 7.417 242 H LYS 29 H LYS 29 5.240 -11.080 4.225 243 HA LYS 29 HA LYS 29 3.261 -13.222 4.639 244 1HB LYS 29 1HB LYS 29 6.232 -13.290 4.168 245 2HB LYS 29 2HB LYS 29 5.394 -14.655 4.894 246 1HG LYS 29 1HG LYS 29 3.828 -14.302 2.765 247 2HG LYS 29 2HG LYS 29 5.333 -13.646 2.117 248 1HD LYS 29 1HD LYS 29 6.443 -15.779 2.941 249 2HD LYS 29 2HD LYS 29 4.813 -16.410 3.186 250 1HE LYS 29 1HE LYS 29 5.196 -17.160 1.065 251 2HE LYS 29 2HE LYS 29 4.501 -15.584 0.697 252 1HZ LYS 29 1HZ LYS 29 6.490 -15.966 -0.597 253 2HZ LYS 29 2HZ LYS 29 7.399 -16.225 0.804 254 3HZ LYS 29 3HZ LYS 29 6.751 -14.695 0.490 Start of MODEL 6 1 H TYR 1 H TYR 1 -6.926 13.761 6.731 2 HA TYR 1 HA TYR 1 -6.657 11.173 5.355 3 1HB TYR 1 1HB TYR 1 -9.349 11.642 5.889 4 2HB TYR 1 2HB TYR 1 -8.311 10.495 6.718 5 HD1 TYR 1 HD1 TYR 1 -9.758 13.890 6.886 6 HD2 TYR 1 HD2 TYR 1 -7.648 10.844 8.979 7 HE1 TYR 1 HE1 TYR 1 -10.120 15.098 8.998 8 HE2 TYR 1 HE2 TYR 1 -8.005 12.043 11.095 9 HH TYR 1 HH TYR 1 -10.043 13.948 11.813 10 H LYS 2 H LYS 2 -5.822 13.218 3.923 11 HA LYS 2 HA LYS 2 -8.077 14.387 2.479 12 1HB LYS 2 1HB LYS 2 -5.894 15.623 3.246 13 2HB LYS 2 2HB LYS 2 -5.209 14.915 1.790 14 1HG LYS 2 1HG LYS 2 -5.918 17.032 1.129 15 2HG LYS 2 2HG LYS 2 -7.194 15.954 0.563 16 1HD LYS 2 1HD LYS 2 -8.712 16.723 2.091 17 2HD LYS 2 2HD LYS 2 -7.473 17.140 3.275 18 1HE LYS 2 1HE LYS 2 -8.151 19.228 2.592 19 2HE LYS 2 2HE LYS 2 -6.797 18.937 1.502 20 1HZ LYS 2 1HZ LYS 2 -8.723 19.808 0.327 21 2HZ LYS 2 2HZ LYS 2 -9.663 18.501 0.843 22 3HZ LYS 2 3HZ LYS 2 -8.359 18.244 -0.204 23 H PHE 3 H PHE 3 -5.397 12.136 2.013 24 HA PHE 3 HA PHE 3 -6.042 11.773 -0.795 25 1HB PHE 3 1HB PHE 3 -3.832 10.963 1.021 26 2HB PHE 3 2HB PHE 3 -4.172 9.916 -0.342 27 HD1 PHE 3 HD1 PHE 3 -4.207 10.971 -2.670 28 HD2 PHE 3 HD2 PHE 3 -2.554 12.885 0.753 29 HE1 PHE 3 HE1 PHE 3 -2.902 12.455 -4.136 30 HE2 PHE 3 HE2 PHE 3 -1.248 14.373 -0.706 31 HZ PHE 3 HZ PHE 3 -1.420 14.159 -3.154 32 H ALA 4 H ALA 4 -6.050 9.409 -1.566 33 HA ALA 4 HA ALA 4 -7.375 7.567 0.259 34 1HB ALA 4 1HB ALA 4 -9.428 7.622 -0.630 35 2HB ALA 4 2HB ALA 4 -8.810 7.724 -2.280 36 3HB ALA 4 3HB ALA 4 -8.948 9.182 -1.297 37 H CYS 5 H CYS 5 -6.949 5.459 -0.195 38 HA CYS 5 HA CYS 5 -4.971 4.894 -2.204 39 1HB CYS 5 1HB CYS 5 -5.179 3.827 0.137 40 2HB CYS 5 2HB CYS 5 -6.419 2.812 -0.582 41 HG CYS 5 HG CYS 5 -4.669 1.411 -1.545 42 HA PRO 6 HA PRO 6 -7.784 3.690 -5.425 43 1HB PRO 6 1HB PRO 6 -6.073 2.304 -6.998 44 2HB PRO 6 2HB PRO 6 -6.035 4.066 -6.873 45 1HG PRO 6 1HG PRO 6 -4.309 2.034 -5.511 46 2HG PRO 6 2HG PRO 6 -3.844 3.565 -6.275 47 1HD PRO 6 1HD PRO 6 -4.138 3.288 -3.591 48 2HD PRO 6 2HD PRO 6 -4.464 4.813 -4.442 49 H GLU 7 H GLU 7 -5.999 1.384 -3.509 50 HA GLU 7 HA GLU 7 -7.585 -0.856 -4.519 51 1HB GLU 7 1HB GLU 7 -4.999 -0.557 -3.114 52 2HB GLU 7 2HB GLU 7 -5.957 -1.957 -2.664 53 1HG GLU 7 1HG GLU 7 -5.967 -2.763 -4.909 54 2HG GLU 7 2HG GLU 7 -5.227 -1.274 -5.498 55 H CYS 8 H CYS 8 -6.748 0.738 -1.437 56 HA CYS 8 HA CYS 8 -9.131 -0.513 -0.230 57 1HB CYS 8 1HB CYS 8 -8.027 -0.403 1.903 58 2HB CYS 8 2HB CYS 8 -6.938 -1.164 0.753 59 HG CYS 8 HG CYS 8 -5.353 0.738 0.950 60 HA PRO 9 HA PRO 9 -10.636 3.534 0.739 61 1HB PRO 9 1HB PRO 9 -12.187 3.052 2.855 62 2HB PRO 9 2HB PRO 9 -12.508 2.286 1.296 63 1HG PRO 9 1HG PRO 9 -11.306 1.133 3.759 64 2HG PRO 9 2HG PRO 9 -12.328 0.359 2.537 65 1HD PRO 9 1HD PRO 9 -9.505 0.235 2.723 66 2HD PRO 9 2HD PRO 9 -10.506 -0.343 1.381 67 H LYS 10 H LYS 10 -7.925 3.191 1.849 68 HA LYS 10 HA LYS 10 -8.038 4.264 4.531 69 1HB LYS 10 1HB LYS 10 -5.682 3.760 2.703 70 2HB LYS 10 2HB LYS 10 -5.552 4.343 4.338 71 1HG LYS 10 1HG LYS 10 -6.947 1.771 3.721 72 2HG LYS 10 2HG LYS 10 -5.197 1.854 3.932 73 1HD LYS 10 1HD LYS 10 -7.092 2.961 5.985 74 2HD LYS 10 2HD LYS 10 -6.626 1.260 5.977 75 1HE LYS 10 1HE LYS 10 -4.858 1.861 7.191 76 2HE LYS 10 2HE LYS 10 -4.222 2.609 5.729 77 1HZ LYS 10 1HZ LYS 10 -5.386 4.672 6.393 78 2HZ LYS 10 2HZ LYS 10 -4.191 4.201 7.493 79 3HZ LYS 10 3HZ LYS 10 -5.822 3.933 7.851 80 H ARG 11 H ARG 11 -6.923 6.256 5.114 81 HA ARG 11 HA ARG 11 -6.686 8.290 3.042 82 1HB ARG 11 1HB ARG 11 -8.123 9.853 4.492 83 2HB ARG 11 2HB ARG 11 -8.957 8.660 3.506 84 1HG ARG 11 1HG ARG 11 -9.059 7.194 5.543 85 2HG ARG 11 2HG ARG 11 -8.462 8.571 6.471 86 1HD ARG 11 1HD ARG 11 -10.396 9.809 6.114 87 2HD ARG 11 2HD ARG 11 -10.864 8.855 4.707 88 HE ARG 11 HE ARG 11 -10.881 7.165 6.925 89 1HH1 ARG 11 1HH1 ARG 11 -12.628 9.965 5.752 90 2HH1 ARG 11 2HH1 ARG 11 -14.097 9.540 6.563 91 1HH2 ARG 11 1HH2 ARG 11 -12.818 6.610 7.988 92 2HH2 ARG 11 2HH2 ARG 11 -14.205 7.636 7.833 93 H PHE 12 H PHE 12 -5.051 9.666 3.464 94 HA PHE 12 HA PHE 12 -4.083 9.878 6.234 95 1HB PHE 12 1HB PHE 12 -2.258 9.546 3.882 96 2HB PHE 12 2HB PHE 12 -1.809 9.540 5.573 97 HD1 PHE 12 HD1 PHE 12 -4.169 7.700 3.339 98 HD2 PHE 12 HD2 PHE 12 -1.266 7.478 6.441 99 HE1 PHE 12 HE1 PHE 12 -4.376 5.264 3.345 100 HE2 PHE 12 HE2 PHE 12 -1.474 5.024 6.452 101 HZ PHE 12 HZ PHE 12 -3.030 3.915 4.889 102 H MET 13 H MET 13 -2.922 11.760 6.756 103 HA MET 13 HA MET 13 -3.733 14.095 5.286 104 1HB MET 13 1HB MET 13 -2.169 13.632 7.809 105 2HB MET 13 2HB MET 13 -2.236 15.229 7.080 106 1HG MET 13 1HG MET 13 -4.728 15.085 7.194 107 2HG MET 13 2HG MET 13 -4.537 13.595 8.117 108 1HE MET 13 1HE MET 13 -5.108 14.100 10.881 109 2HE MET 13 2HE MET 13 -3.510 14.504 11.508 110 3HE MET 13 3HE MET 13 -3.678 13.294 10.234 111 H ARG 14 H ARG 14 -0.839 12.159 5.569 112 HA ARG 14 HA ARG 14 0.719 14.120 4.045 113 1HB ARG 14 1HB ARG 14 1.499 11.625 5.553 114 2HB ARG 14 2HB ARG 14 2.618 12.509 4.527 115 1HG ARG 14 1HG ARG 14 2.505 14.433 5.918 116 2HG ARG 14 2HG ARG 14 1.160 13.758 6.842 117 1HD ARG 14 1HD ARG 14 3.150 13.518 8.145 118 2HD ARG 14 2HD ARG 14 2.674 11.917 7.572 119 HE ARG 14 HE ARG 14 4.427 12.614 5.700 120 1HH1 ARG 14 1HH1 ARG 14 4.645 12.897 9.186 121 2HH1 ARG 14 2HH1 ARG 14 6.368 12.740 9.211 122 1HH2 ARG 14 1HH2 ARG 14 6.694 12.406 5.744 123 2HH2 ARG 14 2HH2 ARG 14 7.532 12.462 7.259 124 H SER 15 H SER 15 2.000 13.373 2.218 125 HA SER 15 HA SER 15 0.485 11.498 0.574 126 1HB SER 15 1HB SER 15 1.018 12.779 -1.146 127 2HB SER 15 2HB SER 15 1.650 13.941 0.016 128 HG SER 15 HG SER 15 3.662 13.329 -0.437 129 H ASP 16 H ASP 16 3.794 12.005 1.758 130 HA ASP 16 HA ASP 16 4.896 9.719 0.483 131 1HB ASP 16 1HB ASP 16 5.925 11.875 1.869 132 2HB ASP 16 2HB ASP 16 6.229 10.526 2.958 133 H HIS 17 H HIS 17 3.824 10.306 3.833 134 HA HIS 17 HA HIS 17 4.375 7.746 4.830 135 1HB HIS 17 1HB HIS 17 2.629 10.006 5.662 136 2HB HIS 17 2HB HIS 17 2.288 8.429 6.361 137 HD1 HIS 17 HD1 HIS 17 3.006 9.599 8.642 138 HD2 HIS 17 HD2 HIS 17 6.035 9.073 5.848 139 HE1 HIS 17 HE1 HIS 17 5.148 9.902 9.911 140 HE2 HIS 17 HE2 HIS 17 6.963 9.718 8.176 141 H LEU 18 H LEU 18 1.450 9.056 3.297 142 HA LEU 18 HA LEU 18 -0.222 6.845 3.629 143 1HB LEU 18 1HB LEU 18 -0.911 9.074 2.813 144 2HB LEU 18 2HB LEU 18 -0.116 8.752 1.294 145 HG LEU 18 HG LEU 18 -2.282 6.944 2.293 146 1HD1 LEU 18 1HD1 LEU 18 -3.281 9.101 2.386 147 2HD1 LEU 18 2HD1 LEU 18 -3.842 8.313 0.911 148 3HD1 LEU 18 3HD1 LEU 18 -2.583 9.547 0.833 149 1HD2 LEU 18 1HD2 LEU 18 -2.479 7.164 -0.415 150 2HD2 LEU 18 2HD2 LEU 18 -1.609 5.891 0.448 151 3HD2 LEU 18 3HD2 LEU 18 -0.739 7.303 -0.157 152 H THR 19 H THR 19 1.998 7.665 0.968 153 HA THR 19 HA THR 19 1.443 5.427 -0.604 154 HB THR 19 HB THR 19 4.034 6.984 -0.416 155 HG1 THR 19 HG1 THR 19 2.755 8.476 -1.171 156 1HG2 THR 19 1HG2 THR 19 4.496 5.009 -1.647 157 2HG2 THR 19 2HG2 THR 19 4.297 6.322 -2.807 158 3HG2 THR 19 3HG2 THR 19 2.996 5.157 -2.563 159 H LEU 20 H LEU 20 3.567 5.873 2.160 160 HA LEU 20 HA LEU 20 5.122 3.549 1.938 161 1HB LEU 20 1HB LEU 20 5.389 5.479 3.578 162 2HB LEU 20 2HB LEU 20 4.122 4.734 4.528 163 HG LEU 20 HG LEU 20 6.434 4.265 5.327 164 1HD1 LEU 20 1HD1 LEU 20 4.297 2.698 5.458 165 2HD1 LEU 20 2HD1 LEU 20 5.861 2.220 6.118 166 3HD1 LEU 20 3HD1 LEU 20 5.351 1.626 4.538 167 1HD2 LEU 20 1HD2 LEU 20 7.890 2.815 4.140 168 2HD2 LEU 20 2HD2 LEU 20 7.407 4.085 3.016 169 3HD2 LEU 20 3HD2 LEU 20 6.668 2.487 2.912 170 H HIS 21 H HIS 21 1.954 4.129 3.393 171 HA HIS 21 HA HIS 21 1.441 1.671 4.549 172 1HB HIS 21 1HB HIS 21 -0.528 2.670 4.969 173 2HB HIS 21 2HB HIS 21 -0.008 4.028 4.012 174 HD1 HIS 21 HD1 HIS 21 -1.974 4.679 2.601 175 HD2 HIS 21 HD2 HIS 21 -1.444 0.578 2.718 176 HE1 HIS 21 HE1 HIS 21 -3.785 3.670 1.154 177 H ILE 22 H ILE 22 0.641 2.740 1.287 178 HA ILE 22 HA ILE 22 -0.640 0.497 0.376 179 HB ILE 22 HB ILE 22 1.093 2.198 -1.407 180 1HG1 ILE 22 1HG1 ILE 22 -1.774 2.834 -0.948 181 2HG1 ILE 22 2HG1 ILE 22 -0.661 3.298 0.316 182 1HG2 ILE 22 1HG2 ILE 22 -0.213 1.476 -3.151 183 2HG2 ILE 22 2HG2 ILE 22 -1.605 1.160 -2.113 184 3HG2 ILE 22 3HG2 ILE 22 -0.245 0.036 -2.135 185 1HD1 ILE 22 1HD1 ILE 22 0.593 4.211 -1.916 186 2HD1 ILE 22 2HD1 ILE 22 -0.440 5.163 -0.849 187 3HD1 ILE 22 3HD1 ILE 22 -1.109 4.443 -2.310 188 H LEU 23 H LEU 23 2.685 0.632 1.153 189 HA LEU 23 HA LEU 23 3.768 -1.188 -0.675 190 1HB LEU 23 1HB LEU 23 4.445 -0.285 2.065 191 2HB LEU 23 2HB LEU 23 5.131 -1.817 1.564 192 HG LEU 23 HG LEU 23 6.106 -0.672 -0.428 193 1HD1 LEU 23 1HD1 LEU 23 6.179 1.720 -0.538 194 2HD1 LEU 23 2HD1 LEU 23 5.300 1.864 0.984 195 3HD1 LEU 23 3HD1 LEU 23 4.491 1.220 -0.445 196 1HD2 LEU 23 1HD2 LEU 23 6.893 0.417 2.272 197 2HD2 LEU 23 2HD2 LEU 23 7.893 0.452 0.821 198 3HD2 LEU 23 3HD2 LEU 23 7.452 -1.092 1.551 199 H LEU 24 H LEU 24 1.704 -1.662 2.137 200 HA LEU 24 HA LEU 24 2.078 -4.422 2.517 201 1HB LEU 24 1HB LEU 24 -0.242 -4.371 3.508 202 2HB LEU 24 2HB LEU 24 0.938 -3.292 4.225 203 HG LEU 24 HG LEU 24 -0.232 -1.650 2.384 204 1HD1 LEU 24 1HD1 LEU 24 -2.493 -3.258 3.535 205 2HD1 LEU 24 2HD1 LEU 24 -1.894 -3.465 1.890 206 3HD1 LEU 24 3HD1 LEU 24 -2.580 -1.917 2.391 207 1HD2 LEU 24 1HD2 LEU 24 -1.122 -0.522 4.230 208 2HD2 LEU 24 2HD2 LEU 24 0.268 -1.397 4.873 209 3HD2 LEU 24 3HD2 LEU 24 -1.362 -2.016 5.137 210 H HIS 25 H HIS 25 0.070 -2.665 0.227 211 HA HIS 25 HA HIS 25 -1.641 -4.708 -0.578 212 1HB HIS 25 1HB HIS 25 -0.580 -2.273 -1.980 213 2HB HIS 25 2HB HIS 25 -1.652 -3.398 -2.807 214 HD1 HIS 25 HD1 HIS 25 -3.977 -3.878 -1.263 215 HD2 HIS 25 HD2 HIS 25 -1.919 -0.306 -0.751 216 HE1 HIS 25 HE1 HIS 25 -5.594 -2.275 -0.166 217 H GLU 26 H GLU 26 1.731 -4.198 -1.400 218 HA GLU 26 HA GLU 26 1.846 -5.759 -3.732 219 1HB GLU 26 1HB GLU 26 4.174 -5.688 -3.538 220 2HB GLU 26 2HB GLU 26 3.644 -4.217 -2.739 221 1HG GLU 26 1HG GLU 26 4.875 -4.808 -1.002 222 2HG GLU 26 2HG GLU 26 3.745 -6.128 -0.716 223 H ASN 27 H ASN 27 1.803 -6.664 -0.344 224 HA ASN 27 HA ASN 27 1.591 -9.475 -1.147 225 1HB ASN 27 1HB ASN 27 3.942 -8.863 -0.300 226 2HB ASN 27 2HB ASN 27 3.193 -8.678 1.281 227 1HD2 ASN 27 1HD2 ASN 27 5.161 -10.480 1.028 228 2HD2 ASN 27 2HD2 ASN 27 4.534 -12.088 1.079 229 H LYS 28 H LYS 28 -0.555 -9.659 -0.700 230 HA LYS 28 HA LYS 28 -1.653 -8.619 1.772 231 1HB LYS 28 1HB LYS 28 -2.709 -9.070 -0.733 232 2HB LYS 28 2HB LYS 28 -3.367 -10.405 0.202 233 1HG LYS 28 1HG LYS 28 -3.560 -7.531 1.065 234 2HG LYS 28 2HG LYS 28 -4.791 -8.343 0.098 235 1HD LYS 28 1HD LYS 28 -3.885 -9.619 2.637 236 2HD LYS 28 2HD LYS 28 -4.972 -8.233 2.725 237 1HE LYS 28 1HE LYS 28 -6.481 -9.961 2.647 238 2HE LYS 28 2HE LYS 28 -6.337 -9.569 0.934 239 1HZ LYS 28 1HZ LYS 28 -5.141 -11.462 0.510 240 2HZ LYS 28 2HZ LYS 28 -6.161 -12.019 1.738 241 3HZ LYS 28 3HZ LYS 28 -4.561 -11.606 2.093 242 H LYS 29 H LYS 29 -1.780 -9.706 3.614 243 HA LYS 29 HA LYS 29 -1.035 -12.506 3.695 244 1HB LYS 29 1HB LYS 29 -1.051 -12.242 6.127 245 2HB LYS 29 2HB LYS 29 -0.104 -10.975 5.361 246 1HG LYS 29 1HG LYS 29 -2.027 -9.440 5.603 247 2HG LYS 29 2HG LYS 29 -2.894 -10.713 6.465 248 1HD LYS 29 1HD LYS 29 -1.291 -10.705 8.236 249 2HD LYS 29 2HD LYS 29 -0.215 -9.638 7.330 250 1HE LYS 29 1HE LYS 29 -1.504 -7.779 7.723 251 2HE LYS 29 2HE LYS 29 -2.986 -8.715 7.917 252 1HZ LYS 29 1HZ LYS 29 -2.203 -7.770 10.015 253 2HZ LYS 29 2HZ LYS 29 -0.754 -8.631 9.876 254 3HZ LYS 29 3HZ LYS 29 -2.215 -9.461 10.066 Start of MODEL 7 1 H TYR 1 H TYR 1 -11.476 13.501 4.419 2 HA TYR 1 HA TYR 1 -9.087 13.751 4.775 3 1HB TYR 1 1HB TYR 1 -8.570 11.580 3.785 4 2HB TYR 1 2HB TYR 1 -10.207 11.577 4.428 5 HD1 TYR 1 HD1 TYR 1 -8.239 11.819 1.293 6 HD2 TYR 1 HD2 TYR 1 -12.053 11.092 3.032 7 HE1 TYR 1 HE1 TYR 1 -9.079 11.056 -0.886 8 HE2 TYR 1 HE2 TYR 1 -12.904 10.326 0.857 9 HH TYR 1 HH TYR 1 -11.382 9.269 -1.450 10 H LYS 2 H LYS 2 -6.988 13.309 3.553 11 HA LYS 2 HA LYS 2 -6.742 15.320 1.469 12 1HB LYS 2 1HB LYS 2 -5.130 15.303 3.322 13 2HB LYS 2 2HB LYS 2 -4.629 13.680 2.879 14 1HG LYS 2 1HG LYS 2 -2.971 14.905 1.906 15 2HG LYS 2 2HG LYS 2 -4.113 14.807 0.565 16 1HD LYS 2 1HD LYS 2 -4.493 17.017 0.586 17 2HD LYS 2 2HD LYS 2 -4.606 17.070 2.346 18 1HE LYS 2 1HE LYS 2 -1.924 16.665 1.130 19 2HE LYS 2 2HE LYS 2 -2.646 18.270 1.021 20 1HZ LYS 2 1HZ LYS 2 -2.866 18.316 3.414 21 2HZ LYS 2 2HZ LYS 2 -1.254 18.018 2.993 22 3HZ LYS 2 3HZ LYS 2 -2.232 16.751 3.541 23 H PHE 3 H PHE 3 -5.500 11.972 1.847 24 HA PHE 3 HA PHE 3 -5.878 11.622 -1.052 25 1HB PHE 3 1HB PHE 3 -3.569 11.090 0.695 26 2HB PHE 3 2HB PHE 3 -3.984 9.780 -0.393 27 HD1 PHE 3 HD1 PHE 3 -4.061 10.220 -2.863 28 HD2 PHE 3 HD2 PHE 3 -2.486 13.023 -0.075 29 HE1 PHE 3 HE1 PHE 3 -2.886 11.374 -4.692 30 HE2 PHE 3 HE2 PHE 3 -1.309 14.182 -1.898 31 HZ PHE 3 HZ PHE 3 -1.509 13.358 -4.211 32 H ALA 4 H ALA 4 -6.156 9.351 -1.734 33 HA ALA 4 HA ALA 4 -7.308 7.588 0.303 34 1HB ALA 4 1HB ALA 4 -9.118 7.106 -1.553 35 2HB ALA 4 2HB ALA 4 -8.743 8.764 -2.027 36 3HB ALA 4 3HB ALA 4 -9.322 8.422 -0.396 37 H CYS 5 H CYS 5 -7.004 5.422 -0.079 38 HA CYS 5 HA CYS 5 -5.045 4.722 -2.058 39 1HB CYS 5 1HB CYS 5 -5.256 3.737 0.296 40 2HB CYS 5 2HB CYS 5 -6.577 2.774 -0.345 41 HG CYS 5 HG CYS 5 -4.072 1.646 -0.408 42 HA PRO 6 HA PRO 6 -7.878 3.497 -5.250 43 1HB PRO 6 1HB PRO 6 -6.176 2.088 -6.804 44 2HB PRO 6 2HB PRO 6 -6.111 3.850 -6.688 45 1HG PRO 6 1HG PRO 6 -4.424 1.798 -5.307 46 2HG PRO 6 2HG PRO 6 -3.928 3.317 -6.077 47 1HD PRO 6 1HD PRO 6 -4.250 3.056 -3.391 48 2HD PRO 6 2HD PRO 6 -4.525 4.583 -4.255 49 H GLU 7 H GLU 7 -6.140 1.230 -3.260 50 HA GLU 7 HA GLU 7 -7.731 -1.018 -4.247 51 1HB GLU 7 1HB GLU 7 -5.138 -0.730 -2.831 52 2HB GLU 7 2HB GLU 7 -6.096 -2.149 -2.449 53 1HG GLU 7 1HG GLU 7 -4.611 -2.774 -4.169 54 2HG GLU 7 2HG GLU 7 -6.203 -2.622 -4.910 55 H CYS 8 H CYS 8 -6.848 0.598 -1.184 56 HA CYS 8 HA CYS 8 -9.230 -0.632 0.047 57 1HB CYS 8 1HB CYS 8 -8.116 -0.541 2.167 58 2HB CYS 8 2HB CYS 8 -7.024 -1.287 1.014 59 HG CYS 8 HG CYS 8 -5.421 0.563 1.302 60 HA PRO 9 HA PRO 9 -10.722 3.420 0.992 61 1HB PRO 9 1HB PRO 9 -12.222 2.981 3.153 62 2HB PRO 9 2HB PRO 9 -12.574 2.177 1.620 63 1HG PRO 9 1HG PRO 9 -11.299 1.090 4.079 64 2HG PRO 9 2HG PRO 9 -12.360 0.286 2.913 65 1HD PRO 9 1HD PRO 9 -9.540 0.151 3.006 66 2HD PRO 9 2HD PRO 9 -10.583 -0.435 1.700 67 H LYS 10 H LYS 10 -7.981 3.075 2.083 68 HA LYS 10 HA LYS 10 -8.068 4.266 4.718 69 1HB LYS 10 1HB LYS 10 -5.699 3.686 2.926 70 2HB LYS 10 2HB LYS 10 -5.602 4.253 4.568 71 1HG LYS 10 1HG LYS 10 -7.131 1.767 4.066 72 2HG LYS 10 2HG LYS 10 -5.371 1.702 3.970 73 1HD LYS 10 1HD LYS 10 -6.622 3.044 6.317 74 2HD LYS 10 2HD LYS 10 -6.643 1.281 6.244 75 1HE LYS 10 1HE LYS 10 -4.070 1.746 5.602 76 2HE LYS 10 2HE LYS 10 -4.384 3.143 6.631 77 1HZ LYS 10 1HZ LYS 10 -4.831 0.306 7.392 78 2HZ LYS 10 2HZ LYS 10 -5.118 1.649 8.380 79 3HZ LYS 10 3HZ LYS 10 -3.539 1.273 7.904 80 H ARG 11 H ARG 11 -6.966 6.273 5.213 81 HA ARG 11 HA ARG 11 -6.674 8.188 3.035 82 1HB ARG 11 1HB ARG 11 -8.104 9.856 4.243 83 2HB ARG 11 2HB ARG 11 -8.988 8.500 3.557 84 1HG ARG 11 1HG ARG 11 -8.846 7.447 5.873 85 2HG ARG 11 2HG ARG 11 -8.339 9.041 6.435 86 1HD ARG 11 1HD ARG 11 -10.568 9.302 6.732 87 2HD ARG 11 2HD ARG 11 -10.496 9.755 5.031 88 HE ARG 11 HE ARG 11 -10.882 6.993 5.168 89 1HH1 ARG 11 1HH1 ARG 11 -12.611 9.934 5.960 90 2HH1 ARG 11 2HH1 ARG 11 -14.172 9.222 5.734 91 1HH2 ARG 11 1HH2 ARG 11 -12.942 6.063 4.866 92 2HH2 ARG 11 2HH2 ARG 11 -14.361 7.025 5.112 93 H PHE 12 H PHE 12 -5.038 9.583 3.385 94 HA PHE 12 HA PHE 12 -4.072 9.967 6.132 95 1HB PHE 12 1HB PHE 12 -2.214 9.416 3.851 96 2HB PHE 12 2HB PHE 12 -1.803 9.515 5.546 97 HD1 PHE 12 HD1 PHE 12 -4.178 7.578 3.412 98 HD2 PHE 12 HD2 PHE 12 -1.293 7.500 6.537 99 HE1 PHE 12 HE1 PHE 12 -4.430 5.154 3.571 100 HE2 PHE 12 HE2 PHE 12 -1.546 5.056 6.703 101 HZ PHE 12 HZ PHE 12 -3.117 3.880 5.203 102 H MET 13 H MET 13 -3.124 11.926 6.565 103 HA MET 13 HA MET 13 -3.774 14.085 4.805 104 1HB MET 13 1HB MET 13 -2.293 13.952 7.429 105 2HB MET 13 2HB MET 13 -2.540 15.458 6.557 106 1HG MET 13 1HG MET 13 -4.606 15.661 7.324 107 2HG MET 13 2HG MET 13 -5.017 14.014 6.850 108 1HE MET 13 1HE MET 13 -2.927 16.059 9.288 109 2HE MET 13 2HE MET 13 -3.294 15.378 10.872 110 3HE MET 13 3HE MET 13 -4.511 16.325 10.016 111 H ARG 14 H ARG 14 -0.938 12.154 5.367 112 HA ARG 14 HA ARG 14 0.752 14.027 3.873 113 1HB ARG 14 1HB ARG 14 1.404 11.557 5.485 114 2HB ARG 14 2HB ARG 14 2.594 12.428 4.532 115 1HG ARG 14 1HG ARG 14 2.961 13.394 6.551 116 2HG ARG 14 2HG ARG 14 1.705 14.477 5.948 117 1HD ARG 14 1HD ARG 14 0.498 13.997 7.750 118 2HD ARG 14 2HD ARG 14 0.359 12.337 7.167 119 HE ARG 14 HE ARG 14 2.815 12.647 8.502 120 1HH1 ARG 14 1HH1 ARG 14 -0.615 12.524 9.185 121 2HH1 ARG 14 2HH1 ARG 14 -0.398 11.907 10.789 122 1HH2 ARG 14 1HH2 ARG 14 3.097 11.837 10.614 123 2HH2 ARG 14 2HH2 ARG 14 1.710 11.517 11.600 124 H SER 15 H SER 15 2.102 13.215 2.138 125 HA SER 15 HA SER 15 0.650 11.310 0.475 126 1HB SER 15 1HB SER 15 1.234 12.615 -1.198 127 2HB SER 15 2HB SER 15 2.020 13.701 -0.057 128 HG SER 15 HG SER 15 3.934 12.901 -0.588 129 H ASP 16 H ASP 16 3.910 11.791 1.804 130 HA ASP 16 HA ASP 16 5.006 9.426 0.670 131 1HB ASP 16 1HB ASP 16 6.064 11.613 1.927 132 2HB ASP 16 2HB ASP 16 6.235 10.374 3.164 133 H HIS 17 H HIS 17 3.796 10.197 3.932 134 HA HIS 17 HA HIS 17 4.255 7.682 5.085 135 1HB HIS 17 1HB HIS 17 2.415 9.959 5.702 136 2HB HIS 17 2HB HIS 17 2.185 8.428 6.534 137 HD1 HIS 17 HD1 HIS 17 2.800 10.066 8.633 138 HD2 HIS 17 HD2 HIS 17 5.891 9.051 6.049 139 HE1 HIS 17 HE1 HIS 17 4.917 10.572 9.886 140 HE2 HIS 17 HE2 HIS 17 6.776 9.878 8.333 141 H LEU 18 H LEU 18 1.414 8.974 3.384 142 HA LEU 18 HA LEU 18 -0.300 6.797 3.724 143 1HB LEU 18 1HB LEU 18 -0.869 9.043 2.784 144 2HB LEU 18 2HB LEU 18 -0.109 8.563 1.291 145 HG LEU 18 HG LEU 18 -2.317 6.905 2.424 146 1HD1 LEU 18 1HD1 LEU 18 -3.823 8.307 0.915 147 2HD1 LEU 18 2HD1 LEU 18 -2.553 9.528 1.009 148 3HD1 LEU 18 3HD1 LEU 18 -3.365 8.989 2.475 149 1HD2 LEU 18 1HD2 LEU 18 -0.838 7.122 -0.076 150 2HD2 LEU 18 2HD2 LEU 18 -2.587 7.044 -0.287 151 3HD2 LEU 18 3HD2 LEU 18 -1.746 5.767 0.600 152 H THR 19 H THR 19 2.028 7.498 1.127 153 HA THR 19 HA THR 19 1.506 5.217 -0.394 154 HB THR 19 HB THR 19 4.085 6.788 -0.155 155 HG1 THR 19 HG1 THR 19 2.803 8.219 -1.031 156 1HG2 THR 19 1HG2 THR 19 4.656 4.786 -1.269 157 2HG2 THR 19 2HG2 THR 19 4.445 6.016 -2.514 158 3HG2 THR 19 3HG2 THR 19 3.182 4.819 -2.234 159 H LEU 20 H LEU 20 3.522 5.728 2.439 160 HA LEU 20 HA LEU 20 5.063 3.383 2.338 161 1HB LEU 20 1HB LEU 20 5.314 5.361 3.915 162 2HB LEU 20 2HB LEU 20 4.011 4.667 4.858 163 HG LEU 20 HG LEU 20 5.469 2.560 5.008 164 1HD1 LEU 20 1HD1 LEU 20 7.879 2.955 4.796 165 2HD1 LEU 20 2HD1 LEU 20 7.551 4.554 4.130 166 3HD1 LEU 20 3HD1 LEU 20 7.044 3.111 3.250 167 1HD2 LEU 20 1HD2 LEU 20 6.399 5.094 6.353 168 2HD2 LEU 20 2HD2 LEU 20 6.697 3.449 6.912 169 3HD2 LEU 20 3HD2 LEU 20 5.053 4.085 6.879 170 H HIS 21 H HIS 21 1.789 4.008 3.453 171 HA HIS 21 HA HIS 21 1.281 1.541 4.708 172 1HB HIS 21 1HB HIS 21 -0.672 2.563 5.153 173 2HB HIS 21 2HB HIS 21 -0.111 3.943 4.252 174 HD1 HIS 21 HD1 HIS 21 -2.004 4.699 2.808 175 HD2 HIS 21 HD2 HIS 21 -1.669 0.577 2.878 176 HE1 HIS 21 HE1 HIS 21 -3.843 3.794 1.328 177 H ILE 22 H ILE 22 0.521 2.713 1.473 178 HA ILE 22 HA ILE 22 -0.784 0.493 0.507 179 HB ILE 22 HB ILE 22 0.957 2.228 -1.235 180 1HG1 ILE 22 1HG1 ILE 22 -1.900 2.888 -0.771 181 2HG1 ILE 22 2HG1 ILE 22 -0.794 3.298 0.518 182 1HG2 ILE 22 1HG2 ILE 22 -1.753 1.232 -1.957 183 2HG2 ILE 22 2HG2 ILE 22 -0.404 0.094 -2.003 184 3HG2 ILE 22 3HG2 ILE 22 -0.360 1.554 -2.991 185 1HD1 ILE 22 1HD1 ILE 22 -1.267 4.601 -1.991 186 2HD1 ILE 22 2HD1 ILE 22 0.441 4.213 -1.782 187 3HD1 ILE 22 3HD1 ILE 22 -0.402 5.170 -0.564 188 H LEU 23 H LEU 23 2.546 0.668 1.278 189 HA LEU 23 HA LEU 23 3.714 -1.054 -0.553 190 1HB LEU 23 1HB LEU 23 4.244 -0.283 2.244 191 2HB LEU 23 2HB LEU 23 4.923 -1.824 1.759 192 HG LEU 23 HG LEU 23 6.082 -0.698 -0.119 193 1HD1 LEU 23 1HD1 LEU 23 4.963 1.800 1.140 194 2HD1 LEU 23 2HD1 LEU 23 4.614 1.178 -0.472 195 3HD1 LEU 23 3HD1 LEU 23 6.231 1.768 -0.086 196 1HD2 LEU 23 1HD2 LEU 23 7.195 -1.075 2.044 197 2HD2 LEU 23 2HD2 LEU 23 6.661 0.518 2.579 198 3HD2 LEU 23 3HD2 LEU 23 7.786 0.373 1.229 199 H LEU 24 H LEU 24 1.542 -1.743 2.144 200 HA LEU 24 HA LEU 24 1.903 -4.514 2.337 201 1HB LEU 24 1HB LEU 24 -0.547 -4.537 3.071 202 2HB LEU 24 2HB LEU 24 0.587 -3.605 4.024 203 HG LEU 24 HG LEU 24 -0.359 -1.718 2.272 204 1HD1 LEU 24 1HD1 LEU 24 -2.733 -1.887 2.149 205 2HD1 LEU 24 2HD1 LEU 24 -2.726 -3.390 3.076 206 3HD1 LEU 24 3HD1 LEU 24 -2.042 -3.353 1.451 207 1HD2 LEU 24 1HD2 LEU 24 -1.614 -2.366 4.927 208 2HD2 LEU 24 2HD2 LEU 24 -1.440 -0.784 4.166 209 3HD2 LEU 24 3HD2 LEU 24 -0.017 -1.639 4.759 210 H HIS 25 H HIS 25 -0.125 -2.628 0.128 211 HA HIS 25 HA HIS 25 -1.464 -4.807 -1.074 212 1HB HIS 25 1HB HIS 25 -0.834 -2.071 -2.207 213 2HB HIS 25 2HB HIS 25 -1.964 -3.219 -2.913 214 HD1 HIS 25 HD1 HIS 25 -4.003 -3.904 -1.101 215 HD2 HIS 25 HD2 HIS 25 -2.001 -0.304 -0.584 216 HE1 HIS 25 HE1 HIS 25 -5.492 -2.465 0.350 217 H GLU 26 H GLU 26 1.539 -3.105 -1.909 218 HA GLU 26 HA GLU 26 2.061 -4.348 -4.356 219 1HB GLU 26 1HB GLU 26 3.872 -3.161 -2.262 220 2HB GLU 26 2HB GLU 26 4.510 -3.855 -3.745 221 1HG GLU 26 1HG GLU 26 4.113 -1.971 -4.825 222 2HG GLU 26 2HG GLU 26 2.399 -2.078 -4.429 223 H ASN 27 H ASN 27 2.996 -5.332 -1.063 224 HA ASN 27 HA ASN 27 4.305 -7.726 -1.998 225 1HB ASN 27 1HB ASN 27 5.040 -6.509 0.050 226 2HB ASN 27 2HB ASN 27 3.527 -6.964 0.827 227 1HD2 ASN 27 1HD2 ASN 27 6.446 -8.269 -0.665 228 2HD2 ASN 27 2HD2 ASN 27 6.473 -9.733 0.252 229 H LYS 28 H LYS 28 3.580 -9.840 -1.820 230 HA LYS 28 HA LYS 28 0.682 -10.126 -1.382 231 1HB LYS 28 1HB LYS 28 0.775 -12.082 -2.842 232 2HB LYS 28 2HB LYS 28 1.403 -10.658 -3.659 233 1HG LYS 28 1HG LYS 28 3.214 -11.818 -4.175 234 2HG LYS 28 2HG LYS 28 3.618 -11.887 -2.459 235 1HD LYS 28 1HD LYS 28 3.602 -14.127 -3.134 236 2HD LYS 28 2HD LYS 28 2.031 -13.899 -2.363 237 1HE LYS 28 1HE LYS 28 1.534 -15.068 -4.323 238 2HE LYS 28 2HE LYS 28 1.161 -13.392 -4.720 239 1HZ LYS 28 1HZ LYS 28 3.700 -14.772 -5.412 240 2HZ LYS 28 2HZ LYS 28 3.257 -13.203 -5.863 241 3HZ LYS 28 3HZ LYS 28 2.409 -14.530 -6.479 242 H LYS 29 H LYS 29 -0.128 -11.793 -0.132 243 HA LYS 29 HA LYS 29 1.798 -13.465 1.319 244 1HB LYS 29 1HB LYS 29 0.458 -13.047 3.423 245 2HB LYS 29 2HB LYS 29 1.441 -11.701 2.864 246 1HG LYS 29 1HG LYS 29 -0.332 -10.379 2.620 247 2HG LYS 29 2HG LYS 29 -1.254 -11.626 1.781 248 1HD LYS 29 1HD LYS 29 -0.852 -11.908 4.716 249 2HD LYS 29 2HD LYS 29 -1.999 -10.695 4.145 250 1HE LYS 29 1HE LYS 29 -3.328 -12.318 3.063 251 2HE LYS 29 2HE LYS 29 -2.074 -13.548 3.199 252 1HZ LYS 29 1HZ LYS 29 -2.403 -13.616 5.568 253 2HZ LYS 29 2HZ LYS 29 -3.887 -13.863 4.797 254 3HZ LYS 29 3HZ LYS 29 -3.539 -12.362 5.496 Start of MODEL 8 1 H TYR 1 H TYR 1 -7.147 14.017 5.915 2 HA TYR 1 HA TYR 1 -7.051 11.220 5.054 3 1HB TYR 1 1HB TYR 1 -9.472 11.098 5.353 4 2HB TYR 1 2HB TYR 1 -8.689 11.415 6.895 5 HD1 TYR 1 HD1 TYR 1 -11.144 12.530 4.531 6 HD2 TYR 1 HD2 TYR 1 -8.700 13.812 7.771 7 HE1 TYR 1 HE1 TYR 1 -12.610 14.475 4.858 8 HE2 TYR 1 HE2 TYR 1 -10.160 15.761 8.106 9 HH TYR 1 HH TYR 1 -12.013 17.041 6.112 10 H LYS 2 H LYS 2 -6.090 13.640 3.791 11 HA LYS 2 HA LYS 2 -8.060 14.576 1.940 12 1HB LYS 2 1HB LYS 2 -6.030 15.864 2.734 13 2HB LYS 2 2HB LYS 2 -5.065 14.839 1.682 14 1HG LYS 2 1HG LYS 2 -5.488 16.878 0.536 15 2HG LYS 2 2HG LYS 2 -6.453 15.619 -0.236 16 1HD LYS 2 1HD LYS 2 -8.273 16.858 0.078 17 2HD LYS 2 2HD LYS 2 -8.040 16.723 1.822 18 1HE LYS 2 1HE LYS 2 -6.656 18.704 1.829 19 2HE LYS 2 2HE LYS 2 -6.738 18.805 0.071 20 1HZ LYS 2 1HZ LYS 2 -9.054 19.066 1.914 21 2HZ LYS 2 2HZ LYS 2 -9.108 19.203 0.229 22 3HZ LYS 2 3HZ LYS 2 -8.266 20.351 1.143 23 H PHE 3 H PHE 3 -5.369 12.258 1.755 24 HA PHE 3 HA PHE 3 -6.006 11.647 -1.013 25 1HB PHE 3 1HB PHE 3 -3.761 11.090 0.836 26 2HB PHE 3 2HB PHE 3 -4.098 9.858 -0.363 27 HD1 PHE 3 HD1 PHE 3 -4.265 10.643 -2.822 28 HD2 PHE 3 HD2 PHE 3 -2.467 12.926 0.287 29 HE1 PHE 3 HE1 PHE 3 -3.018 11.942 -4.500 30 HE2 PHE 3 HE2 PHE 3 -1.218 14.227 -1.383 31 HZ PHE 3 HZ PHE 3 -1.492 13.737 -3.781 32 H ALA 4 H ALA 4 -6.022 9.261 -1.616 33 HA ALA 4 HA ALA 4 -7.206 7.488 0.355 34 1HB ALA 4 1HB ALA 4 -9.222 7.053 -0.936 35 2HB ALA 4 2HB ALA 4 -8.742 8.265 -2.124 36 3HB ALA 4 3HB ALA 4 -9.136 8.753 -0.475 37 H CYS 5 H CYS 5 -6.831 5.358 -0.081 38 HA CYS 5 HA CYS 5 -4.954 4.726 -2.143 39 1HB CYS 5 1HB CYS 5 -5.162 3.643 0.186 40 2HB CYS 5 2HB CYS 5 -6.464 2.692 -0.513 41 HG CYS 5 HG CYS 5 -3.623 2.535 -1.749 42 HA PRO 6 HA PRO 6 -7.844 3.671 -5.347 43 1HB PRO 6 1HB PRO 6 -6.187 2.256 -6.958 44 2HB PRO 6 2HB PRO 6 -6.106 4.015 -6.812 45 1HG PRO 6 1HG PRO 6 -4.408 1.926 -5.507 46 2HG PRO 6 2HG PRO 6 -3.922 3.464 -6.241 47 1HD PRO 6 1HD PRO 6 -4.195 3.125 -3.561 48 2HD PRO 6 2HD PRO 6 -4.482 4.678 -4.372 49 H GLU 7 H GLU 7 -6.209 1.320 -3.395 50 HA GLU 7 HA GLU 7 -7.874 -0.853 -4.455 51 1HB GLU 7 1HB GLU 7 -5.316 -1.049 -4.187 52 2HB GLU 7 2HB GLU 7 -5.641 -1.179 -2.465 53 1HG GLU 7 1HG GLU 7 -6.592 -3.244 -2.656 54 2HG GLU 7 2HG GLU 7 -7.123 -2.969 -4.314 55 H CYS 8 H CYS 8 -6.880 0.637 -1.366 56 HA CYS 8 HA CYS 8 -9.267 -0.556 -0.109 57 1HB CYS 8 1HB CYS 8 -8.115 -0.462 2.003 58 2HB CYS 8 2HB CYS 8 -7.076 -1.260 0.834 59 HG CYS 8 HG CYS 8 -5.417 0.566 1.022 60 HA PRO 9 HA PRO 9 -10.685 3.515 0.876 61 1HB PRO 9 1HB PRO 9 -12.197 3.065 3.030 62 2HB PRO 9 2HB PRO 9 -12.565 2.311 1.476 63 1HG PRO 9 1HG PRO 9 -11.345 1.127 3.915 64 2HG PRO 9 2HG PRO 9 -12.395 0.375 2.704 65 1HD PRO 9 1HD PRO 9 -9.571 0.204 2.851 66 2HD PRO 9 2HD PRO 9 -10.604 -0.359 1.526 67 H LYS 10 H LYS 10 -7.955 3.144 1.965 68 HA LYS 10 HA LYS 10 -8.045 4.263 4.631 69 1HB LYS 10 1HB LYS 10 -5.655 3.790 2.835 70 2HB LYS 10 2HB LYS 10 -5.597 4.236 4.517 71 1HG LYS 10 1HG LYS 10 -7.088 1.780 3.791 72 2HG LYS 10 2HG LYS 10 -5.324 1.741 3.751 73 1HD LYS 10 1HD LYS 10 -5.351 2.654 6.092 74 2HD LYS 10 2HD LYS 10 -7.098 2.401 6.097 75 1HE LYS 10 1HE LYS 10 -6.768 0.021 5.699 76 2HE LYS 10 2HE LYS 10 -5.022 0.260 5.633 77 1HZ LYS 10 1HZ LYS 10 -5.716 -0.571 7.788 78 2HZ LYS 10 2HZ LYS 10 -6.748 0.752 8.002 79 3HZ LYS 10 3HZ LYS 10 -5.074 0.987 7.940 80 H ARG 11 H ARG 11 -7.008 6.267 5.196 81 HA ARG 11 HA ARG 11 -6.722 8.251 3.071 82 1HB ARG 11 1HB ARG 11 -8.173 9.859 4.303 83 2HB ARG 11 2HB ARG 11 -9.049 8.482 3.651 84 1HG ARG 11 1HG ARG 11 -8.457 7.589 6.145 85 2HG ARG 11 2HG ARG 11 -8.646 9.320 6.431 86 1HD ARG 11 1HD ARG 11 -10.827 9.181 5.188 87 2HD ARG 11 2HD ARG 11 -10.642 7.429 5.203 88 HE ARG 11 HE ARG 11 -10.471 8.670 7.803 89 1HH1 ARG 11 1HH1 ARG 11 -12.614 7.257 5.418 90 2HH1 ARG 11 2HH1 ARG 11 -13.840 6.866 6.573 91 1HH2 ARG 11 1HH2 ARG 11 -12.093 8.154 9.318 92 2HH2 ARG 11 2HH2 ARG 11 -13.546 7.374 8.789 93 H PHE 12 H PHE 12 -5.084 9.642 3.458 94 HA PHE 12 HA PHE 12 -4.091 9.884 6.217 95 1HB PHE 12 1HB PHE 12 -2.307 9.490 3.841 96 2HB PHE 12 2HB PHE 12 -1.813 9.557 5.518 97 HD1 PHE 12 HD1 PHE 12 -4.241 7.623 3.445 98 HD2 PHE 12 HD2 PHE 12 -1.222 7.526 6.440 99 HE1 PHE 12 HE1 PHE 12 -4.443 5.193 3.555 100 HE2 PHE 12 HE2 PHE 12 -1.426 5.072 6.557 101 HZ PHE 12 HZ PHE 12 -3.042 3.904 5.097 102 H MET 13 H MET 13 -2.724 11.723 6.619 103 HA MET 13 HA MET 13 -3.579 14.054 5.110 104 1HB MET 13 1HB MET 13 -2.068 13.687 7.693 105 2HB MET 13 2HB MET 13 -2.246 15.263 6.935 106 1HG MET 13 1HG MET 13 -4.818 14.161 7.022 107 2HG MET 13 2HG MET 13 -4.086 13.816 8.588 108 1HE MET 13 1HE MET 13 -3.788 17.113 10.338 109 2HE MET 13 2HE MET 13 -2.504 16.070 9.725 110 3HE MET 13 3HE MET 13 -3.952 15.359 10.440 111 H ARG 14 H ARG 14 -0.745 12.063 5.469 112 HA ARG 14 HA ARG 14 0.922 14.028 4.071 113 1HB ARG 14 1HB ARG 14 1.520 11.553 5.663 114 2HB ARG 14 2HB ARG 14 2.704 12.176 4.527 115 1HG ARG 14 1HG ARG 14 3.165 12.971 6.765 116 2HG ARG 14 2HG ARG 14 2.728 14.313 5.708 117 1HD ARG 14 1HD ARG 14 1.669 14.521 7.902 118 2HD ARG 14 2HD ARG 14 0.470 14.318 6.623 119 HE ARG 14 HE ARG 14 -0.143 12.308 7.548 120 1HH1 ARG 14 1HH1 ARG 14 2.853 13.360 9.029 121 2HH1 ARG 14 2HH1 ARG 14 2.806 12.151 10.267 122 1HH2 ARG 14 1HH2 ARG 14 -0.197 10.722 9.183 123 2HH2 ARG 14 2HH2 ARG 14 1.075 10.654 10.355 124 H SER 15 H SER 15 2.328 13.228 2.325 125 HA SER 15 HA SER 15 0.802 11.507 0.523 126 1HB SER 15 1HB SER 15 1.502 12.809 -1.121 127 2HB SER 15 2HB SER 15 2.112 13.902 0.116 128 HG SER 15 HG SER 15 4.120 13.201 -0.225 129 H ASP 16 H ASP 16 4.027 11.781 1.964 130 HA ASP 16 HA ASP 16 5.022 9.423 0.670 131 1HB ASP 16 1HB ASP 16 7.028 9.752 1.937 132 2HB ASP 16 2HB ASP 16 6.467 11.336 1.423 133 H HIS 17 H HIS 17 3.615 10.159 3.826 134 HA HIS 17 HA HIS 17 4.162 7.635 5.013 135 1HB HIS 17 1HB HIS 17 2.190 9.827 5.628 136 2HB HIS 17 2HB HIS 17 2.199 8.319 6.528 137 HD1 HIS 17 HD1 HIS 17 2.782 9.886 8.603 138 HD2 HIS 17 HD2 HIS 17 5.717 9.582 5.682 139 HE1 HIS 17 HE1 HIS 17 4.877 10.767 9.664 140 HE2 HIS 17 HE2 HIS 17 6.625 10.652 7.855 141 H LEU 18 H LEU 18 1.338 8.970 3.318 142 HA LEU 18 HA LEU 18 -0.354 6.759 3.591 143 1HB LEU 18 1HB LEU 18 -0.953 9.049 2.755 144 2HB LEU 18 2HB LEU 18 -0.222 8.624 1.230 145 HG LEU 18 HG LEU 18 -2.393 6.914 2.359 146 1HD1 LEU 18 1HD1 LEU 18 -3.475 8.968 2.485 147 2HD1 LEU 18 2HD1 LEU 18 -3.927 8.353 0.896 148 3HD1 LEU 18 3HD1 LEU 18 -2.670 9.583 1.045 149 1HD2 LEU 18 1HD2 LEU 18 -1.813 5.834 0.498 150 2HD2 LEU 18 2HD2 LEU 18 -0.978 7.237 -0.175 151 3HD2 LEU 18 3HD2 LEU 18 -2.729 7.096 -0.330 152 H THR 19 H THR 19 1.949 7.617 1.017 153 HA THR 19 HA THR 19 1.456 5.383 -0.590 154 HB THR 19 HB THR 19 3.972 7.046 -0.318 155 HG1 THR 19 HG1 THR 19 2.639 8.417 -1.206 156 1HG2 THR 19 1HG2 THR 19 4.418 6.307 -2.665 157 2HG2 THR 19 2HG2 THR 19 3.194 5.058 -2.433 158 3HG2 THR 19 3HG2 THR 19 4.647 5.068 -1.433 159 H LEU 20 H LEU 20 3.469 5.855 2.243 160 HA LEU 20 HA LEU 20 5.067 3.547 2.077 161 1HB LEU 20 1HB LEU 20 5.124 5.564 3.730 162 2HB LEU 20 2HB LEU 20 4.000 4.615 4.678 163 HG LEU 20 HG LEU 20 6.237 4.323 5.527 164 1HD1 LEU 20 1HD1 LEU 20 6.261 2.015 5.722 165 2HD1 LEU 20 2HD1 LEU 20 5.681 1.769 4.075 166 3HD1 LEU 20 3HD1 LEU 20 4.579 2.363 5.318 167 1HD2 LEU 20 1HD2 LEU 20 7.012 3.232 2.829 168 2HD2 LEU 20 2HD2 LEU 20 8.054 3.463 4.234 169 3HD2 LEU 20 3HD2 LEU 20 7.394 4.861 3.387 170 H HIS 21 H HIS 21 1.852 4.120 3.416 171 HA HIS 21 HA HIS 21 1.338 1.638 4.557 172 1HB HIS 21 1HB HIS 21 -0.608 2.648 5.025 173 2HB HIS 21 2HB HIS 21 -0.067 4.030 4.116 174 HD1 HIS 21 HD1 HIS 21 -1.992 4.776 2.714 175 HD2 HIS 21 HD2 HIS 21 -1.622 0.657 2.756 176 HE1 HIS 21 HE1 HIS 21 -3.845 3.863 1.266 177 H ILE 22 H ILE 22 0.565 2.814 1.321 178 HA ILE 22 HA ILE 22 -0.771 0.606 0.367 179 HB ILE 22 HB ILE 22 0.949 2.352 -1.385 180 1HG1 ILE 22 1HG1 ILE 22 -1.910 2.980 -0.867 181 2HG1 ILE 22 2HG1 ILE 22 -0.779 3.399 0.397 182 1HG2 ILE 22 1HG2 ILE 22 -0.346 0.234 -2.209 183 2HG2 ILE 22 2HG2 ILE 22 -0.445 1.734 -3.129 184 3HG2 ILE 22 3HG2 ILE 22 -1.761 1.278 -2.044 185 1HD1 ILE 22 1HD1 ILE 22 -1.334 4.706 -2.090 186 2HD1 ILE 22 2HD1 ILE 22 0.383 4.335 -1.936 187 3HD1 ILE 22 3HD1 ILE 22 -0.434 5.277 -0.688 188 H LEU 23 H LEU 23 2.575 0.739 1.081 189 HA LEU 23 HA LEU 23 3.596 -1.085 -0.799 190 1HB LEU 23 1HB LEU 23 4.423 -0.026 1.809 191 2HB LEU 23 2HB LEU 23 5.002 -1.649 1.494 192 HG LEU 23 HG LEU 23 5.821 -0.672 -0.767 193 1HD1 LEU 23 1HD1 LEU 23 4.632 1.467 -0.550 194 2HD1 LEU 23 2HD1 LEU 23 6.374 1.687 -0.717 195 3HD1 LEU 23 3HD1 LEU 23 5.611 1.855 0.864 196 1HD2 LEU 23 1HD2 LEU 23 7.236 -1.452 1.120 197 2HD2 LEU 23 2HD2 LEU 23 7.187 0.183 1.780 198 3HD2 LEU 23 3HD2 LEU 23 7.939 -0.113 0.214 199 H LEU 24 H LEU 24 1.576 -1.517 2.015 200 HA LEU 24 HA LEU 24 1.975 -4.208 2.624 201 1HB LEU 24 1HB LEU 24 -0.719 -2.846 2.614 202 2HB LEU 24 2HB LEU 24 -0.221 -4.204 3.599 203 HG LEU 24 HG LEU 24 1.330 -1.715 3.975 204 1HD1 LEU 24 1HD1 LEU 24 -0.315 -0.543 5.185 205 2HD1 LEU 24 2HD1 LEU 24 -1.427 -1.911 5.161 206 3HD1 LEU 24 3HD1 LEU 24 -1.104 -1.011 3.677 207 1HD2 LEU 24 1HD2 LEU 24 0.066 -3.686 5.876 208 2HD2 LEU 24 2HD2 LEU 24 1.202 -2.406 6.303 209 3HD2 LEU 24 3HD2 LEU 24 1.727 -3.748 5.287 210 H HIS 25 H HIS 25 -0.232 -2.725 0.273 211 HA HIS 25 HA HIS 25 -1.496 -5.018 -0.662 212 1HB HIS 25 1HB HIS 25 -0.820 -2.504 -2.207 213 2HB HIS 25 2HB HIS 25 -2.015 -3.706 -2.684 214 HD1 HIS 25 HD1 HIS 25 -3.987 -4.029 -0.696 215 HD2 HIS 25 HD2 HIS 25 -1.886 -0.448 -0.863 216 HE1 HIS 25 HE1 HIS 25 -5.371 -2.329 0.566 217 H GLU 26 H GLU 26 1.590 -3.586 -1.638 218 HA GLU 26 HA GLU 26 2.044 -5.206 -3.899 219 1HB GLU 26 1HB GLU 26 3.302 -3.068 -2.932 220 2HB GLU 26 2HB GLU 26 4.355 -4.299 -2.248 221 1HG GLU 26 1HG GLU 26 5.342 -3.700 -4.279 222 2HG GLU 26 2HG GLU 26 4.543 -5.239 -4.593 223 H ASN 27 H ASN 27 3.548 -5.484 -0.660 224 HA ASN 27 HA ASN 27 3.113 -8.257 -0.418 225 1HB ASN 27 1HB ASN 27 5.446 -9.061 -0.703 226 2HB ASN 27 2HB ASN 27 4.733 -8.495 -2.210 227 1HD2 ASN 27 1HD2 ASN 27 5.588 -6.726 -3.233 228 2HD2 ASN 27 2HD2 ASN 27 7.048 -5.953 -2.727 229 H LYS 28 H LYS 28 4.380 -9.218 1.414 230 HA LYS 28 HA LYS 28 4.844 -7.155 3.455 231 1HB LYS 28 1HB LYS 28 3.859 -9.971 3.535 232 2HB LYS 28 2HB LYS 28 4.718 -9.353 4.939 233 1HG LYS 28 1HG LYS 28 3.110 -7.470 5.033 234 2HG LYS 28 2HG LYS 28 2.212 -8.224 3.715 235 1HD LYS 28 1HD LYS 28 1.656 -10.103 5.040 236 2HD LYS 28 2HD LYS 28 2.827 -9.663 6.284 237 1HE LYS 28 1HE LYS 28 1.497 -7.646 6.780 238 2HE LYS 28 2HE LYS 28 0.308 -8.158 5.584 239 1HZ LYS 28 1HZ LYS 28 1.050 -9.668 8.033 240 2HZ LYS 28 2HZ LYS 28 -0.101 -10.148 6.891 241 3HZ LYS 28 3HZ LYS 28 -0.364 -8.762 7.825 242 H LYS 29 H LYS 29 6.122 -10.372 2.554 243 HA LYS 29 HA LYS 29 8.838 -9.397 2.820 244 1HB LYS 29 1HB LYS 29 9.438 -11.322 4.361 245 2HB LYS 29 2HB LYS 29 8.550 -9.994 5.090 246 1HG LYS 29 1HG LYS 29 6.474 -11.305 4.896 247 2HG LYS 29 2HG LYS 29 7.409 -12.646 4.232 248 1HD LYS 29 1HD LYS 29 7.276 -13.228 6.462 249 2HD LYS 29 2HD LYS 29 8.822 -12.379 6.406 250 1HE LYS 29 1HE LYS 29 7.684 -10.322 7.159 251 2HE LYS 29 2HE LYS 29 6.174 -11.225 7.279 252 1HZ LYS 29 1HZ LYS 29 7.196 -12.646 8.944 253 2HZ LYS 29 2HZ LYS 29 7.267 -11.026 9.425 254 3HZ LYS 29 3HZ LYS 29 8.651 -11.789 8.822 Start of MODEL 9 1 H TYR 1 H TYR 1 -7.763 14.219 6.550 2 HA TYR 1 HA TYR 1 -6.764 11.848 5.130 3 1HB TYR 1 1HB TYR 1 -9.539 12.862 5.816 4 2HB TYR 1 2HB TYR 1 -9.183 11.372 4.952 5 HD1 TYR 1 HD1 TYR 1 -6.842 10.448 6.641 6 HD2 TYR 1 HD2 TYR 1 -10.652 12.009 7.707 7 HE1 TYR 1 HE1 TYR 1 -6.732 9.237 8.777 8 HE2 TYR 1 HE2 TYR 1 -10.554 10.805 9.847 9 HH TYR 1 HH TYR 1 -9.023 8.422 10.551 10 H LYS 2 H LYS 2 -5.659 13.373 3.639 11 HA LYS 2 HA LYS 2 -7.439 14.898 1.894 12 1HB LYS 2 1HB LYS 2 -5.406 15.842 0.931 13 2HB LYS 2 2HB LYS 2 -5.394 15.996 2.681 14 1HG LYS 2 1HG LYS 2 -3.795 14.266 2.915 15 2HG LYS 2 2HG LYS 2 -3.976 13.778 1.230 16 1HD LYS 2 1HD LYS 2 -3.203 16.197 0.705 17 2HD LYS 2 2HD LYS 2 -2.608 16.188 2.367 18 1HE LYS 2 1HE LYS 2 -1.633 13.829 1.489 19 2HE LYS 2 2HE LYS 2 -1.625 14.750 -0.014 20 1HZ LYS 2 1HZ LYS 2 -0.315 15.551 2.529 21 2HZ LYS 2 2HZ LYS 2 -0.335 16.474 1.111 22 3HZ LYS 2 3HZ LYS 2 0.467 14.986 1.139 23 H PHE 3 H PHE 3 -5.326 12.071 1.812 24 HA PHE 3 HA PHE 3 -5.993 11.668 -1.018 25 1HB PHE 3 1HB PHE 3 -3.680 11.008 0.674 26 2HB PHE 3 2HB PHE 3 -4.181 9.723 -0.408 27 HD1 PHE 3 HD1 PHE 3 -4.515 10.379 -2.899 28 HD2 PHE 3 HD2 PHE 3 -2.296 12.683 -0.092 29 HE1 PHE 3 HE1 PHE 3 -3.324 11.479 -4.749 30 HE2 PHE 3 HE2 PHE 3 -1.102 13.788 -1.937 31 HZ PHE 3 HZ PHE 3 -1.616 13.188 -4.270 32 H ALA 4 H ALA 4 -6.082 9.248 -1.613 33 HA ALA 4 HA ALA 4 -7.354 7.549 0.362 34 1HB ALA 4 1HB ALA 4 -9.258 8.818 -0.405 35 2HB ALA 4 2HB ALA 4 -9.363 7.174 -1.033 36 3HB ALA 4 3HB ALA 4 -8.843 8.488 -2.087 37 H CYS 5 H CYS 5 -6.823 5.462 0.011 38 HA CYS 5 HA CYS 5 -5.054 4.761 -2.081 39 1HB CYS 5 1HB CYS 5 -5.361 3.684 0.268 40 2HB CYS 5 2HB CYS 5 -6.600 2.717 -0.515 41 HG CYS 5 HG CYS 5 -4.869 1.374 -1.647 42 HA PRO 6 HA PRO 6 -7.950 3.754 -5.290 43 1HB PRO 6 1HB PRO 6 -6.308 2.362 -6.922 44 2HB PRO 6 2HB PRO 6 -6.191 4.115 -6.730 45 1HG PRO 6 1HG PRO 6 -4.547 1.957 -5.465 46 2HG PRO 6 2HG PRO 6 -4.020 3.499 -6.166 47 1HD PRO 6 1HD PRO 6 -4.323 3.108 -3.492 48 2HD PRO 6 2HD PRO 6 -4.554 4.686 -4.274 49 H GLU 7 H GLU 7 -6.260 1.333 -3.439 50 HA GLU 7 HA GLU 7 -7.985 -0.789 -4.495 51 1HB GLU 7 1HB GLU 7 -5.406 -0.985 -4.260 52 2HB GLU 7 2HB GLU 7 -5.740 -1.232 -2.552 53 1HG GLU 7 1HG GLU 7 -7.415 -2.902 -4.215 54 2HG GLU 7 2HG GLU 7 -5.703 -3.157 -4.546 55 H CYS 8 H CYS 8 -6.930 0.625 -1.386 56 HA CYS 8 HA CYS 8 -9.287 -0.622 -0.127 57 1HB CYS 8 1HB CYS 8 -8.119 -0.583 1.966 58 2HB CYS 8 2HB CYS 8 -7.057 -1.301 0.768 59 HG CYS 8 HG CYS 8 -6.625 1.680 1.459 60 HA PRO 9 HA PRO 9 -10.763 3.396 0.964 61 1HB PRO 9 1HB PRO 9 -12.237 2.876 3.125 62 2HB PRO 9 2HB PRO 9 -12.607 2.132 1.566 63 1HG PRO 9 1HG PRO 9 -11.315 0.948 3.969 64 2HG PRO 9 2HG PRO 9 -12.376 0.189 2.773 65 1HD PRO 9 1HD PRO 9 -9.549 0.070 2.855 66 2HD PRO 9 2HD PRO 9 -10.596 -0.487 1.539 67 H LYS 10 H LYS 10 -8.033 3.196 1.898 68 HA LYS 10 HA LYS 10 -8.085 4.236 4.616 69 1HB LYS 10 1HB LYS 10 -5.736 3.702 2.783 70 2HB LYS 10 2HB LYS 10 -5.621 4.228 4.438 71 1HG LYS 10 1HG LYS 10 -7.120 1.735 3.828 72 2HG LYS 10 2HG LYS 10 -5.356 1.713 3.838 73 1HD LYS 10 1HD LYS 10 -5.232 2.199 6.096 74 2HD LYS 10 2HD LYS 10 -6.837 2.934 6.130 75 1HE LYS 10 1HE LYS 10 -7.650 0.530 5.548 76 2HE LYS 10 2HE LYS 10 -6.070 0.042 6.159 77 1HZ LYS 10 1HZ LYS 10 -7.739 -0.032 7.895 78 2HZ LYS 10 2HZ LYS 10 -8.104 1.603 7.662 79 3HZ LYS 10 3HZ LYS 10 -6.584 1.152 8.250 80 H ARG 11 H ARG 11 -6.989 6.226 5.153 81 HA ARG 11 HA ARG 11 -6.718 8.207 3.028 82 1HB ARG 11 1HB ARG 11 -8.094 9.795 4.611 83 2HB ARG 11 2HB ARG 11 -8.913 8.766 3.447 84 1HG ARG 11 1HG ARG 11 -9.141 7.082 5.353 85 2HG ARG 11 2HG ARG 11 -8.680 8.412 6.416 86 1HD ARG 11 1HD ARG 11 -11.028 8.423 6.405 87 2HD ARG 11 2HD ARG 11 -10.557 9.732 5.321 88 HE ARG 11 HE ARG 11 -10.900 7.414 3.794 89 1HH1 ARG 11 1HH1 ARG 11 -12.834 9.631 5.692 90 2HH1 ARG 11 2HH1 ARG 11 -14.270 9.369 4.760 91 1HH2 ARG 11 1HH2 ARG 11 -12.793 7.074 2.570 92 2HH2 ARG 11 2HH2 ARG 11 -14.247 7.917 2.988 93 H PHE 12 H PHE 12 -5.090 9.616 3.421 94 HA PHE 12 HA PHE 12 -4.083 9.838 6.174 95 1HB PHE 12 1HB PHE 12 -2.307 9.437 3.793 96 2HB PHE 12 2HB PHE 12 -1.809 9.493 5.471 97 HD1 PHE 12 HD1 PHE 12 -4.219 7.596 3.347 98 HD2 PHE 12 HD2 PHE 12 -1.300 7.458 6.438 99 HE1 PHE 12 HE1 PHE 12 -4.469 5.170 3.458 100 HE2 PHE 12 HE2 PHE 12 -1.551 5.008 6.556 101 HZ PHE 12 HZ PHE 12 -3.140 3.864 5.051 102 H MET 13 H MET 13 -2.762 11.681 6.608 103 HA MET 13 HA MET 13 -3.638 14.023 5.161 104 1HB MET 13 1HB MET 13 -1.874 13.689 7.593 105 2HB MET 13 2HB MET 13 -2.326 15.246 6.914 106 1HG MET 13 1HG MET 13 -4.132 15.221 8.182 107 2HG MET 13 2HG MET 13 -4.722 13.845 7.253 108 1HE MET 13 1HE MET 13 -3.107 15.140 10.479 109 2HE MET 13 2HE MET 13 -3.727 13.919 11.592 110 3HE MET 13 3HE MET 13 -4.845 14.872 10.615 111 H ARG 14 H ARG 14 -0.716 12.098 5.415 112 HA ARG 14 HA ARG 14 0.778 14.082 3.853 113 1HB ARG 14 1HB ARG 14 1.573 11.771 5.576 114 2HB ARG 14 2HB ARG 14 2.645 12.255 4.274 115 1HG ARG 14 1HG ARG 14 3.290 13.297 6.369 116 2HG ARG 14 2HG ARG 14 2.783 14.505 5.189 117 1HD ARG 14 1HD ARG 14 1.800 15.163 7.223 118 2HD ARG 14 2HD ARG 14 0.499 14.417 6.293 119 HE ARG 14 HE ARG 14 0.419 12.686 7.817 120 1HH1 ARG 14 1HH1 ARG 14 3.206 14.702 8.484 121 2HH1 ARG 14 2HH1 ARG 14 3.506 13.987 10.030 122 1HH2 ARG 14 1HH2 ARG 14 0.822 11.747 9.855 123 2HH2 ARG 14 2HH2 ARG 14 2.155 12.308 10.810 124 H SER 15 H SER 15 2.182 13.233 2.102 125 HA SER 15 HA SER 15 0.634 11.432 0.406 126 1HB SER 15 1HB SER 15 1.112 12.964 -1.105 127 2HB SER 15 2HB SER 15 2.285 13.750 -0.054 128 HG SER 15 HG SER 15 2.668 11.899 -2.086 129 H ASP 16 H ASP 16 3.903 11.802 1.731 130 HA ASP 16 HA ASP 16 4.919 9.419 0.515 131 1HB ASP 16 1HB ASP 16 6.105 11.580 1.649 132 2HB ASP 16 2HB ASP 16 6.243 10.413 2.958 133 H HIS 17 H HIS 17 3.709 10.262 3.738 134 HA HIS 17 HA HIS 17 4.202 7.798 4.995 135 1HB HIS 17 1HB HIS 17 2.179 9.977 5.498 136 2HB HIS 17 2HB HIS 17 2.261 8.534 6.497 137 HD1 HIS 17 HD1 HIS 17 2.729 10.905 8.083 138 HD2 HIS 17 HD2 HIS 17 5.818 9.209 5.883 139 HE1 HIS 17 HE1 HIS 17 4.848 11.740 9.148 140 HE2 HIS 17 HE2 HIS 17 6.704 10.636 7.850 141 H LEU 18 H LEU 18 1.347 9.008 3.257 142 HA LEU 18 HA LEU 18 -0.337 6.817 3.654 143 1HB LEU 18 1HB LEU 18 -0.946 9.032 2.680 144 2HB LEU 18 2HB LEU 18 -0.171 8.547 1.194 145 HG LEU 18 HG LEU 18 -2.347 6.853 2.332 146 1HD1 LEU 18 1HD1 LEU 18 -2.655 9.454 0.879 147 2HD1 LEU 18 2HD1 LEU 18 -3.410 8.945 2.388 148 3HD1 LEU 18 3HD1 LEU 18 -3.905 8.210 0.863 149 1HD2 LEU 18 1HD2 LEU 18 -2.612 7.008 -0.389 150 2HD2 LEU 18 2HD2 LEU 18 -1.779 5.729 0.500 151 3HD2 LEU 18 3HD2 LEU 18 -0.865 7.088 -0.159 152 H THR 19 H THR 19 1.982 7.494 1.046 153 HA THR 19 HA THR 19 1.486 5.183 -0.441 154 HB THR 19 HB THR 19 4.066 6.756 -0.228 155 HG1 THR 19 HG1 THR 19 1.956 6.991 -2.110 156 1HG2 THR 19 1HG2 THR 19 4.622 4.763 -1.353 157 2HG2 THR 19 2HG2 THR 19 4.374 5.982 -2.605 158 3HG2 THR 19 3HG2 THR 19 3.123 4.781 -2.283 159 H LEU 20 H LEU 20 3.490 5.758 2.394 160 HA LEU 20 HA LEU 20 5.055 3.426 2.321 161 1HB LEU 20 1HB LEU 20 5.323 5.397 3.877 162 2HB LEU 20 2HB LEU 20 3.979 4.764 4.807 163 HG LEU 20 HG LEU 20 6.064 2.771 4.370 164 1HD1 LEU 20 1HD1 LEU 20 6.767 5.269 5.906 165 2HD1 LEU 20 2HD1 LEU 20 7.526 4.713 4.414 166 3HD1 LEU 20 3HD1 LEU 20 7.696 3.770 5.895 167 1HD2 LEU 20 1HD2 LEU 20 4.202 2.556 5.962 168 2HD2 LEU 20 2HD2 LEU 20 4.836 3.928 6.871 169 3HD2 LEU 20 3HD2 LEU 20 5.774 2.439 6.755 170 H HIS 21 H HIS 21 1.781 4.049 3.442 171 HA HIS 21 HA HIS 21 1.262 1.602 4.713 172 1HB HIS 21 1HB HIS 21 -0.697 2.634 5.111 173 2HB HIS 21 2HB HIS 21 -0.141 3.985 4.163 174 HD1 HIS 21 HD1 HIS 21 -2.041 4.669 2.688 175 HD2 HIS 21 HD2 HIS 21 -1.639 0.557 2.880 176 HE1 HIS 21 HE1 HIS 21 -3.851 3.692 1.220 177 H ILE 22 H ILE 22 0.549 2.710 1.445 178 HA ILE 22 HA ILE 22 -0.710 0.450 0.495 179 HB ILE 22 HB ILE 22 1.011 2.213 -1.239 180 1HG1 ILE 22 1HG1 ILE 22 -1.872 2.791 -0.800 181 2HG1 ILE 22 2HG1 ILE 22 -0.776 3.259 0.479 182 1HG2 ILE 22 1HG2 ILE 22 -0.183 1.432 -3.008 183 2HG2 ILE 22 2HG2 ILE 22 -1.652 1.215 -2.053 184 3HG2 ILE 22 3HG2 ILE 22 -0.356 0.022 -1.962 185 1HD1 ILE 22 1HD1 ILE 22 -0.403 5.113 -0.635 186 2HD1 ILE 22 2HD1 ILE 22 -1.317 4.524 -2.022 187 3HD1 ILE 22 3HD1 ILE 22 0.402 4.155 -1.876 188 H LEU 23 H LEU 23 2.578 0.655 1.358 189 HA LEU 23 HA LEU 23 3.810 -1.054 -0.465 190 1HB LEU 23 1HB LEU 23 4.256 -0.610 2.481 191 2HB LEU 23 2HB LEU 23 5.251 -1.712 1.550 192 HG LEU 23 HG LEU 23 4.939 1.215 0.885 193 1HD1 LEU 23 1HD1 LEU 23 5.968 0.921 3.097 194 2HD1 LEU 23 2HD1 LEU 23 7.104 1.559 1.909 195 3HD1 LEU 23 3HD1 LEU 23 7.180 -0.140 2.378 196 1HD2 LEU 23 1HD2 LEU 23 7.005 0.796 -0.426 197 2HD2 LEU 23 2HD2 LEU 23 5.605 -0.100 -1.014 198 3HD2 LEU 23 3HD2 LEU 23 6.842 -0.922 -0.065 199 H LEU 24 H LEU 24 1.656 -1.735 2.256 200 HA LEU 24 HA LEU 24 2.051 -4.493 2.503 201 1HB LEU 24 1HB LEU 24 -0.398 -4.539 3.238 202 2HB LEU 24 2HB LEU 24 0.721 -3.565 4.169 203 HG LEU 24 HG LEU 24 -0.251 -1.732 2.382 204 1HD1 LEU 24 1HD1 LEU 24 -2.601 -1.942 2.191 205 2HD1 LEU 24 2HD1 LEU 24 -2.617 -3.392 3.199 206 3HD1 LEU 24 3HD1 LEU 24 -1.895 -3.444 1.591 207 1HD2 LEU 24 1HD2 LEU 24 -1.527 -2.359 5.031 208 2HD2 LEU 24 2HD2 LEU 24 -1.366 -0.786 4.250 209 3HD2 LEU 24 3HD2 LEU 24 0.063 -1.612 4.873 210 H HIS 25 H HIS 25 -0.043 -2.701 0.274 211 HA HIS 25 HA HIS 25 -1.374 -4.896 -0.863 212 1HB HIS 25 1HB HIS 25 -0.691 -2.209 -2.074 213 2HB HIS 25 2HB HIS 25 -1.803 -3.370 -2.790 214 HD1 HIS 25 HD1 HIS 25 -3.770 -4.096 -0.800 215 HD2 HIS 25 HD2 HIS 25 -2.028 -0.327 -0.748 216 HE1 HIS 25 HE1 HIS 25 -5.335 -2.606 0.516 217 H GLU 26 H GLU 26 1.656 -3.289 -1.775 218 HA GLU 26 HA GLU 26 2.176 -4.640 -4.154 219 1HB GLU 26 1HB GLU 26 3.635 -2.957 -2.326 220 2HB GLU 26 2HB GLU 26 4.663 -4.275 -2.870 221 1HG GLU 26 1HG GLU 26 3.112 -2.498 -4.734 222 2HG GLU 26 2HG GLU 26 4.776 -2.188 -4.239 223 H ASN 27 H ASN 27 2.926 -5.566 -0.814 224 HA ASN 27 HA ASN 27 4.195 -8.033 -1.645 225 1HB ASN 27 1HB ASN 27 4.612 -6.489 0.500 226 2HB ASN 27 2HB ASN 27 3.415 -7.577 1.195 227 1HD2 ASN 27 1HD2 ASN 27 6.638 -7.250 -0.004 228 2HD2 ASN 27 2HD2 ASN 27 7.200 -8.811 0.475 229 H LYS 28 H LYS 28 3.443 -10.142 -1.018 230 HA LYS 28 HA LYS 28 0.522 -10.325 -1.087 231 1HB LYS 28 1HB LYS 28 2.581 -11.746 -2.387 232 2HB LYS 28 2HB LYS 28 1.842 -12.879 -1.262 233 1HG LYS 28 1HG LYS 28 0.719 -13.092 -3.341 234 2HG LYS 28 2HG LYS 28 -0.378 -12.271 -2.230 235 1HD LYS 28 1HD LYS 28 -0.570 -10.590 -3.672 236 2HD LYS 28 2HD LYS 28 1.162 -10.283 -3.539 237 1HE LYS 28 1HE LYS 28 0.950 -10.652 -5.798 238 2HE LYS 28 2HE LYS 28 1.347 -12.272 -5.226 239 1HZ LYS 28 1HZ LYS 28 -0.501 -12.297 -6.787 240 2HZ LYS 28 2HZ LYS 28 -1.394 -11.266 -5.787 241 3HZ LYS 28 3HZ LYS 28 -1.003 -12.825 -5.259 242 H LYS 29 H LYS 29 -0.494 -10.538 0.782 243 HA LYS 29 HA LYS 29 0.890 -11.689 3.080 244 1HB LYS 29 1HB LYS 29 -0.399 -9.513 3.210 245 2HB LYS 29 2HB LYS 29 -1.867 -10.460 3.019 246 1HG LYS 29 1HG LYS 29 -0.578 -11.744 5.078 247 2HG LYS 29 2HG LYS 29 -0.199 -10.044 5.365 248 1HD LYS 29 1HD LYS 29 -2.195 -10.296 6.509 249 2HD LYS 29 2HD LYS 29 -2.741 -9.680 4.948 250 1HE LYS 29 1HE LYS 29 -4.186 -11.436 5.233 251 2HE LYS 29 2HE LYS 29 -2.886 -12.231 4.347 252 1HZ LYS 29 1HZ LYS 29 -3.223 -12.264 7.300 253 2HZ LYS 29 2HZ LYS 29 -2.003 -13.053 6.434 254 3HZ LYS 29 3HZ LYS 29 -3.613 -13.536 6.254 Start of MODEL 10 1 H TYR 1 H TYR 1 -10.225 14.236 5.428 2 HA TYR 1 HA TYR 1 -8.059 13.671 4.966 3 1HB TYR 1 1HB TYR 1 -9.569 12.212 2.801 4 2HB TYR 1 2HB TYR 1 -8.317 11.593 3.870 5 HD1 TYR 1 HD1 TYR 1 -11.660 11.355 3.181 6 HD2 TYR 1 HD2 TYR 1 -9.069 11.931 6.507 7 HE1 TYR 1 HE1 TYR 1 -13.396 10.472 4.679 8 HE2 TYR 1 HE2 TYR 1 -10.799 11.048 8.014 9 HH TYR 1 HH TYR 1 -13.338 9.289 7.073 10 H LYS 2 H LYS 2 -6.239 13.618 3.626 11 HA LYS 2 HA LYS 2 -6.295 15.528 1.448 12 1HB LYS 2 1HB LYS 2 -4.281 14.408 3.222 13 2HB LYS 2 2HB LYS 2 -3.733 14.441 1.554 14 1HG LYS 2 1HG LYS 2 -5.008 16.898 2.602 15 2HG LYS 2 2HG LYS 2 -3.406 16.487 3.218 16 1HD LYS 2 1HD LYS 2 -2.598 17.493 1.395 17 2HD LYS 2 2HD LYS 2 -3.168 16.086 0.496 18 1HE LYS 2 1HE LYS 2 -4.165 17.785 -0.685 19 2HE LYS 2 2HE LYS 2 -5.435 17.399 0.476 20 1HZ LYS 2 1HZ LYS 2 -3.460 19.604 0.748 21 2HZ LYS 2 2HZ LYS 2 -4.688 19.239 1.852 22 3HZ LYS 2 3HZ LYS 2 -5.081 19.783 0.300 23 H PHE 3 H PHE 3 -5.232 12.131 1.831 24 HA PHE 3 HA PHE 3 -5.737 11.755 -1.046 25 1HB PHE 3 1HB PHE 3 -3.410 11.084 0.631 26 2HB PHE 3 2HB PHE 3 -3.956 9.799 -0.427 27 HD1 PHE 3 HD1 PHE 3 -3.896 10.078 -2.864 28 HD2 PHE 3 HD2 PHE 3 -2.400 13.069 -0.229 29 HE1 PHE 3 HE1 PHE 3 -2.696 11.127 -4.740 30 HE2 PHE 3 HE2 PHE 3 -1.201 14.123 -2.099 31 HZ PHE 3 HZ PHE 3 -1.348 13.153 -4.359 32 H ALA 4 H ALA 4 -5.884 9.302 -1.543 33 HA ALA 4 HA ALA 4 -7.126 7.698 0.525 34 1HB ALA 4 1HB ALA 4 -9.021 9.023 -0.221 35 2HB ALA 4 2HB ALA 4 -9.212 7.345 -0.732 36 3HB ALA 4 3HB ALA 4 -8.704 8.570 -1.896 37 H CYS 5 H CYS 5 -6.815 5.545 0.164 38 HA CYS 5 HA CYS 5 -5.069 4.738 -1.916 39 1HB CYS 5 1HB CYS 5 -5.424 3.669 0.419 40 2HB CYS 5 2HB CYS 5 -6.743 2.800 -0.346 41 HG CYS 5 HG CYS 5 -4.249 1.609 -0.358 42 HA PRO 6 HA PRO 6 -8.047 3.931 -5.116 43 1HB PRO 6 1HB PRO 6 -6.435 2.628 -6.839 44 2HB PRO 6 2HB PRO 6 -6.293 4.368 -6.553 45 1HG PRO 6 1HG PRO 6 -4.668 2.124 -5.412 46 2HG PRO 6 2HG PRO 6 -4.121 3.682 -6.059 47 1HD PRO 6 1HD PRO 6 -4.395 3.197 -3.399 48 2HD PRO 6 2HD PRO 6 -4.618 4.807 -4.118 49 H GLU 7 H GLU 7 -6.310 1.456 -3.388 50 HA GLU 7 HA GLU 7 -8.021 -0.650 -4.496 51 1HB GLU 7 1HB GLU 7 -5.533 -0.983 -4.405 52 2HB GLU 7 2HB GLU 7 -5.646 -0.955 -2.651 53 1HG GLU 7 1HG GLU 7 -7.534 -2.833 -3.696 54 2HG GLU 7 2HG GLU 7 -5.940 -3.154 -4.373 55 H CYS 8 H CYS 8 -6.916 0.592 -1.323 56 HA CYS 8 HA CYS 8 -9.261 -0.700 -0.095 57 1HB CYS 8 1HB CYS 8 -8.090 -0.720 1.971 58 2HB CYS 8 2HB CYS 8 -6.958 -1.275 0.752 59 HG CYS 8 HG CYS 8 -5.453 0.502 1.463 60 HA PRO 9 HA PRO 9 -10.886 3.232 1.084 61 1HB PRO 9 1HB PRO 9 -12.259 2.636 3.296 62 2HB PRO 9 2HB PRO 9 -12.651 1.889 1.744 63 1HG PRO 9 1HG PRO 9 -11.229 0.744 4.091 64 2HG PRO 9 2HG PRO 9 -12.295 -0.052 2.923 65 1HD PRO 9 1HD PRO 9 -9.467 -0.053 2.909 66 2HD PRO 9 2HD PRO 9 -10.532 -0.635 1.621 67 H LYS 10 H LYS 10 -8.090 3.029 2.024 68 HA LYS 10 HA LYS 10 -8.167 4.174 4.696 69 1HB LYS 10 1HB LYS 10 -5.802 3.583 2.903 70 2HB LYS 10 2HB LYS 10 -5.701 4.167 4.538 71 1HG LYS 10 1HG LYS 10 -7.217 1.664 4.051 72 2HG LYS 10 2HG LYS 10 -5.454 1.616 3.986 73 1HD LYS 10 1HD LYS 10 -5.931 1.118 6.213 74 2HD LYS 10 2HD LYS 10 -5.548 2.840 6.250 75 1HE LYS 10 1HE LYS 10 -7.758 3.459 6.561 76 2HE LYS 10 2HE LYS 10 -8.381 1.947 5.898 77 1HZ LYS 10 1HZ LYS 10 -8.651 2.094 8.311 78 2HZ LYS 10 2HZ LYS 10 -6.974 2.212 8.502 79 3HZ LYS 10 3HZ LYS 10 -7.655 0.797 7.873 80 H ARG 11 H ARG 11 -7.087 6.184 5.179 81 HA ARG 11 HA ARG 11 -6.824 8.102 2.991 82 1HB ARG 11 1HB ARG 11 -8.230 9.760 4.262 83 2HB ARG 11 2HB ARG 11 -9.121 8.423 3.551 84 1HG ARG 11 1HG ARG 11 -8.311 7.762 6.228 85 2HG ARG 11 2HG ARG 11 -9.180 9.297 6.205 86 1HD ARG 11 1HD ARG 11 -11.022 8.246 4.999 87 2HD ARG 11 2HD ARG 11 -10.149 6.713 4.986 88 HE ARG 11 HE ARG 11 -11.607 7.871 7.183 89 1HH1 ARG 11 1HH1 ARG 11 -9.104 5.591 6.282 90 2HH1 ARG 11 2HH1 ARG 11 -9.262 4.659 7.732 91 1HH2 ARG 11 1HH2 ARG 11 -11.808 6.639 9.089 92 2HH2 ARG 11 2HH2 ARG 11 -10.797 5.253 9.326 93 H PHE 12 H PHE 12 -5.171 9.498 3.317 94 HA PHE 12 HA PHE 12 -4.171 9.852 6.058 95 1HB PHE 12 1HB PHE 12 -2.360 9.336 3.730 96 2HB PHE 12 2HB PHE 12 -1.902 9.445 5.414 97 HD1 PHE 12 HD1 PHE 12 -4.306 7.475 3.340 98 HD2 PHE 12 HD2 PHE 12 -1.364 7.444 6.413 99 HE1 PHE 12 HE1 PHE 12 -4.535 5.051 3.520 100 HE2 PHE 12 HE2 PHE 12 -1.594 4.999 6.601 101 HZ PHE 12 HZ PHE 12 -3.183 3.799 5.137 102 H MET 13 H MET 13 -3.200 11.791 6.518 103 HA MET 13 HA MET 13 -3.890 13.998 4.834 104 1HB MET 13 1HB MET 13 -2.644 15.348 6.572 105 2HB MET 13 2HB MET 13 -4.001 14.404 7.167 106 1HG MET 13 1HG MET 13 -2.704 13.087 8.442 107 2HG MET 13 2HG MET 13 -1.388 13.063 7.271 108 1HE MET 13 1HE MET 13 0.161 14.408 10.678 109 2HE MET 13 2HE MET 13 0.138 13.068 9.531 110 3HE MET 13 3HE MET 13 -1.245 13.348 10.590 111 H ARG 14 H ARG 14 -1.022 12.077 5.326 112 HA ARG 14 HA ARG 14 0.598 13.958 3.766 113 1HB ARG 14 1HB ARG 14 1.317 11.540 5.426 114 2HB ARG 14 2HB ARG 14 2.469 12.339 4.368 115 1HG ARG 14 1HG ARG 14 1.487 14.435 5.814 116 2HG ARG 14 2HG ARG 14 1.473 13.125 6.997 117 1HD ARG 14 1HD ARG 14 3.914 12.888 5.653 118 2HD ARG 14 2HD ARG 14 3.699 14.619 5.927 119 HE ARG 14 HE ARG 14 3.127 13.200 8.297 120 1HH1 ARG 14 1HH1 ARG 14 5.839 14.100 6.273 121 2HH1 ARG 14 2HH1 ARG 14 6.972 14.105 7.582 122 1HH2 ARG 14 1HH2 ARG 14 4.627 13.209 10.019 123 2HH2 ARG 14 2HH2 ARG 14 6.285 13.598 9.707 124 H SER 15 H SER 15 1.943 13.125 2.032 125 HA SER 15 HA SER 15 0.487 11.180 0.413 126 1HB SER 15 1HB SER 15 0.939 12.623 -1.193 127 2HB SER 15 2HB SER 15 2.008 13.554 -0.147 128 HG SER 15 HG SER 15 3.457 12.864 -1.530 129 H ASP 16 H ASP 16 3.742 11.781 1.677 130 HA ASP 16 HA ASP 16 4.920 9.426 0.614 131 1HB ASP 16 1HB ASP 16 6.595 9.896 2.611 132 2HB ASP 16 2HB ASP 16 6.567 10.929 1.192 133 H HIS 17 H HIS 17 3.631 10.213 3.837 134 HA HIS 17 HA HIS 17 4.160 7.717 5.024 135 1HB HIS 17 1HB HIS 17 2.216 9.927 5.632 136 2HB HIS 17 2HB HIS 17 2.190 8.427 6.548 137 HD1 HIS 17 HD1 HIS 17 2.847 9.911 8.633 138 HD2 HIS 17 HD2 HIS 17 5.713 9.693 5.630 139 HE1 HIS 17 HE1 HIS 17 4.967 10.765 9.665 140 HE2 HIS 17 HE2 HIS 17 6.673 10.697 7.815 141 H LEU 18 H LEU 18 1.348 8.936 3.250 142 HA LEU 18 HA LEU 18 -0.367 6.758 3.657 143 1HB LEU 18 1HB LEU 18 -0.937 8.988 2.662 144 2HB LEU 18 2HB LEU 18 -0.185 8.460 1.179 145 HG LEU 18 HG LEU 18 -2.374 6.819 2.364 146 1HD1 LEU 18 1HD1 LEU 18 -3.837 8.249 0.739 147 2HD1 LEU 18 2HD1 LEU 18 -2.622 9.483 1.074 148 3HD1 LEU 18 3HD1 LEU 18 -3.552 8.783 2.394 149 1HD2 LEU 18 1HD2 LEU 18 -2.672 6.957 -0.354 150 2HD2 LEU 18 2HD2 LEU 18 -1.850 5.672 0.537 151 3HD2 LEU 18 3HD2 LEU 18 -0.921 7.010 -0.144 152 H THR 19 H THR 19 1.990 7.417 1.075 153 HA THR 19 HA THR 19 1.490 5.094 -0.403 154 HB THR 19 HB THR 19 4.067 6.674 -0.189 155 HG1 THR 19 HG1 THR 19 2.793 8.108 -1.069 156 1HG2 THR 19 1HG2 THR 19 4.619 4.657 -1.286 157 2HG2 THR 19 2HG2 THR 19 4.415 5.878 -2.541 158 3HG2 THR 19 3HG2 THR 19 3.141 4.694 -2.248 159 H LEU 20 H LEU 20 3.455 5.698 2.444 160 HA LEU 20 HA LEU 20 5.040 3.380 2.426 161 1HB LEU 20 1HB LEU 20 5.211 5.401 3.967 162 2HB LEU 20 2HB LEU 20 3.906 4.692 4.895 163 HG LEU 20 HG LEU 20 5.459 2.610 5.041 164 1HD1 LEU 20 1HD1 LEU 20 7.468 4.775 4.433 165 2HD1 LEU 20 2HD1 LEU 20 7.105 3.383 3.412 166 3HD1 LEU 20 3HD1 LEU 20 7.837 3.145 4.999 167 1HD2 LEU 20 1HD2 LEU 20 4.811 3.991 6.941 168 2HD2 LEU 20 2HD2 LEU 20 6.076 5.152 6.541 169 3HD2 LEU 20 3HD2 LEU 20 6.507 3.520 7.053 170 H HIS 21 H HIS 21 1.724 3.970 3.389 171 HA HIS 21 HA HIS 21 1.230 1.504 4.682 172 1HB HIS 21 1HB HIS 21 -0.713 2.537 5.119 173 2HB HIS 21 2HB HIS 21 -0.176 3.900 4.182 174 HD1 HIS 21 HD1 HIS 21 -2.090 4.597 2.750 175 HD2 HIS 21 HD2 HIS 21 -1.686 0.478 2.895 176 HE1 HIS 21 HE1 HIS 21 -3.934 3.639 1.315 177 H ILE 22 H ILE 22 0.586 2.678 1.421 178 HA ILE 22 HA ILE 22 -0.660 0.368 0.465 179 HB ILE 22 HB ILE 22 0.912 2.227 -1.304 180 1HG1 ILE 22 1HG1 ILE 22 -1.943 2.782 -0.745 181 2HG1 ILE 22 2HG1 ILE 22 -0.826 3.195 0.534 182 1HG2 ILE 22 1HG2 ILE 22 -0.533 0.018 -1.930 183 2HG2 ILE 22 2HG2 ILE 22 -0.301 1.390 -3.011 184 3HG2 ILE 22 3HG2 ILE 22 -1.770 1.271 -2.039 185 1HD1 ILE 22 1HD1 ILE 22 -0.398 5.078 -0.506 186 2HD1 ILE 22 2HD1 ILE 22 -1.437 4.603 -1.849 187 3HD1 ILE 22 3HD1 ILE 22 0.272 4.169 -1.858 188 H LEU 23 H LEU 23 2.573 0.680 1.347 189 HA LEU 23 HA LEU 23 3.870 -0.865 -0.609 190 1HB LEU 23 1HB LEU 23 4.501 0.245 1.958 191 2HB LEU 23 2HB LEU 23 5.065 -1.412 1.890 192 HG LEU 23 HG LEU 23 6.233 -0.808 -0.274 193 1HD1 LEU 23 1HD1 LEU 23 5.521 1.971 0.649 194 2HD1 LEU 23 2HD1 LEU 23 5.018 1.189 -0.850 195 3HD1 LEU 23 3HD1 LEU 23 6.715 1.594 -0.595 196 1HD2 LEU 23 1HD2 LEU 23 7.952 -0.835 1.131 197 2HD2 LEU 23 2HD2 LEU 23 6.943 -0.250 2.454 198 3HD2 LEU 23 3HD2 LEU 23 7.728 0.898 1.369 199 H LEU 24 H LEU 24 1.949 -1.770 2.231 200 HA LEU 24 HA LEU 24 2.673 -4.514 2.228 201 1HB LEU 24 1HB LEU 24 0.210 -4.680 3.277 202 2HB LEU 24 2HB LEU 24 1.635 -4.233 4.185 203 HG LEU 24 HG LEU 24 0.991 -1.817 3.721 204 1HD1 LEU 24 1HD1 LEU 24 -0.580 -1.963 1.970 205 2HD1 LEU 24 2HD1 LEU 24 -1.531 -1.575 3.403 206 3HD1 LEU 24 3HD1 LEU 24 -1.494 -3.229 2.788 207 1HD2 LEU 24 1HD2 LEU 24 -0.168 -1.734 5.696 208 2HD2 LEU 24 2HD2 LEU 24 0.609 -3.314 5.806 209 3HD2 LEU 24 3HD2 LEU 24 -1.088 -3.196 5.341 210 H HIS 25 H HIS 25 0.282 -2.709 0.406 211 HA HIS 25 HA HIS 25 -1.290 -4.842 -0.511 212 1HB HIS 25 1HB HIS 25 -0.648 -2.162 -1.746 213 2HB HIS 25 2HB HIS 25 -1.791 -3.293 -2.462 214 HD1 HIS 25 HD1 HIS 25 -3.393 -4.168 -0.004 215 HD2 HIS 25 HD2 HIS 25 -2.222 -0.248 -0.726 216 HE1 HIS 25 HE1 HIS 25 -4.999 -2.695 1.281 217 H GLU 26 H GLU 26 1.454 -3.224 -2.141 218 HA GLU 26 HA GLU 26 1.561 -5.146 -4.249 219 1HB GLU 26 1HB GLU 26 2.388 -2.729 -4.317 220 2HB GLU 26 2HB GLU 26 3.803 -3.300 -3.442 221 1HG GLU 26 1HG GLU 26 4.237 -4.899 -5.285 222 2HG GLU 26 2HG GLU 26 2.889 -4.184 -6.170 223 H ASN 27 H ASN 27 3.654 -4.519 -1.430 224 HA ASN 27 HA ASN 27 4.678 -7.271 -1.691 225 1HB ASN 27 1HB ASN 27 6.049 -4.751 -0.755 226 2HB ASN 27 2HB ASN 27 6.683 -6.352 -0.388 227 1HD2 ASN 27 1HD2 ASN 27 5.882 -4.117 -2.973 228 2HD2 ASN 27 2HD2 ASN 27 6.923 -4.823 -4.157 229 H LYS 28 H LYS 28 3.457 -8.420 -0.302 230 HA LYS 28 HA LYS 28 2.401 -7.445 2.131 231 1HB LYS 28 1HB LYS 28 1.800 -9.561 0.647 232 2HB LYS 28 2HB LYS 28 2.891 -10.367 1.765 233 1HG LYS 28 1HG LYS 28 0.897 -10.683 2.827 234 2HG LYS 28 2HG LYS 28 1.417 -9.174 3.576 235 1HD LYS 28 1HD LYS 28 -0.591 -8.385 2.972 236 2HD LYS 28 2HD LYS 28 0.084 -8.297 1.344 237 1HE LYS 28 1HE LYS 28 -1.243 -10.781 2.394 238 2HE LYS 28 2HE LYS 28 -2.159 -9.486 1.626 239 1HZ LYS 28 1HZ LYS 28 -1.629 -11.125 -0.005 240 2HZ LYS 28 2HZ LYS 28 0.012 -11.100 0.402 241 3HZ LYS 28 3HZ LYS 28 -0.697 -9.753 -0.337 242 H LYS 29 H LYS 29 3.383 -7.065 3.995 243 HA LYS 29 HA LYS 29 5.992 -8.322 4.507 244 1HB LYS 29 1HB LYS 29 4.756 -5.812 5.653 245 2HB LYS 29 2HB LYS 29 6.305 -6.474 6.157 246 1HG LYS 29 1HG LYS 29 7.031 -6.261 3.744 247 2HG LYS 29 2HG LYS 29 5.566 -5.312 3.488 248 1HD LYS 29 1HD LYS 29 7.571 -4.644 5.630 249 2HD LYS 29 2HD LYS 29 7.698 -4.018 3.986 250 1HE LYS 29 1HE LYS 29 5.236 -3.686 5.686 251 2HE LYS 29 2HE LYS 29 6.552 -2.514 5.663 252 1HZ LYS 29 1HZ LYS 29 4.735 -3.265 3.452 253 2HZ LYS 29 2HZ LYS 29 6.193 -2.456 3.171 254 3HZ LYS 29 3HZ LYS 29 4.997 -1.734 4.123 Start of MODEL 11 1 H TYR 1 H TYR 1 -6.275 13.850 6.387 2 HA TYR 1 HA TYR 1 -6.666 11.618 5.516 3 1HB TYR 1 1HB TYR 1 -9.486 12.268 6.417 4 2HB TYR 1 2HB TYR 1 -9.062 10.923 5.367 5 HD1 TYR 1 HD1 TYR 1 -6.522 10.065 6.789 6 HD2 TYR 1 HD2 TYR 1 -10.376 11.103 8.261 7 HE1 TYR 1 HE1 TYR 1 -6.143 8.650 8.762 8 HE2 TYR 1 HE2 TYR 1 -10.006 9.692 10.240 9 HH TYR 1 HH TYR 1 -7.413 8.810 11.413 10 H LYS 2 H LYS 2 -5.805 13.257 4.027 11 HA LYS 2 HA LYS 2 -7.797 14.703 2.455 12 1HB LYS 2 1HB LYS 2 -4.795 14.803 2.610 13 2HB LYS 2 2HB LYS 2 -5.662 15.564 1.283 14 1HG LYS 2 1HG LYS 2 -6.189 16.173 4.181 15 2HG LYS 2 2HG LYS 2 -5.063 17.083 3.172 16 1HD LYS 2 1HD LYS 2 -6.724 18.248 2.245 17 2HD LYS 2 2HD LYS 2 -7.622 16.779 1.864 18 1HE LYS 2 1HE LYS 2 -7.577 17.995 4.616 19 2HE LYS 2 2HE LYS 2 -8.768 18.443 3.396 20 1HZ LYS 2 1HZ LYS 2 -9.326 16.017 3.268 21 2HZ LYS 2 2HZ LYS 2 -9.738 16.771 4.724 22 3HZ LYS 2 3HZ LYS 2 -8.368 15.783 4.642 23 H PHE 3 H PHE 3 -5.235 12.272 1.993 24 HA PHE 3 HA PHE 3 -6.049 11.858 -0.764 25 1HB PHE 3 1HB PHE 3 -3.728 11.107 0.913 26 2HB PHE 3 2HB PHE 3 -4.187 9.957 -0.327 27 HD1 PHE 3 HD1 PHE 3 -4.340 10.764 -2.724 28 HD2 PHE 3 HD2 PHE 3 -2.516 13.032 0.382 29 HE1 PHE 3 HE1 PHE 3 -3.142 12.099 -4.407 30 HE2 PHE 3 HE2 PHE 3 -1.316 14.372 -1.296 31 HZ PHE 3 HZ PHE 3 -1.628 13.907 -3.694 32 H ALA 4 H ALA 4 -6.180 9.521 -1.509 33 HA ALA 4 HA ALA 4 -7.379 7.692 0.412 34 1HB ALA 4 1HB ALA 4 -9.381 7.340 -0.975 35 2HB ALA 4 2HB ALA 4 -8.874 8.665 -2.023 36 3HB ALA 4 3HB ALA 4 -9.294 8.982 -0.339 37 H CYS 5 H CYS 5 -6.854 5.621 -0.031 38 HA CYS 5 HA CYS 5 -5.039 5.039 -2.128 39 1HB CYS 5 1HB CYS 5 -5.359 3.881 0.189 40 2HB CYS 5 2HB CYS 5 -6.542 2.900 -0.661 41 HG CYS 5 HG CYS 5 -4.730 1.712 -1.877 42 HA PRO 6 HA PRO 6 -7.918 4.090 -5.381 43 1HB PRO 6 1HB PRO 6 -6.225 2.836 -7.074 44 2HB PRO 6 2HB PRO 6 -6.183 4.584 -6.813 45 1HG PRO 6 1HG PRO 6 -4.440 2.452 -5.641 46 2HG PRO 6 2HG PRO 6 -3.985 4.041 -6.281 47 1HD PRO 6 1HD PRO 6 -4.256 3.532 -3.623 48 2HD PRO 6 2HD PRO 6 -4.564 5.128 -4.340 49 H GLU 7 H GLU 7 -6.080 1.667 -3.671 50 HA GLU 7 HA GLU 7 -7.690 -0.502 -4.802 51 1HB GLU 7 1HB GLU 7 -5.034 -0.410 -4.267 52 2HB GLU 7 2HB GLU 7 -5.630 -1.114 -2.772 53 1HG GLU 7 1HG GLU 7 -6.352 -2.210 -5.471 54 2HG GLU 7 2HG GLU 7 -4.915 -2.719 -4.586 55 H CYS 8 H CYS 8 -6.751 0.826 -1.616 56 HA CYS 8 HA CYS 8 -9.086 -0.548 -0.454 57 1HB CYS 8 1HB CYS 8 -7.970 -0.568 1.648 58 2HB CYS 8 2HB CYS 8 -6.810 -1.119 0.454 59 HG CYS 8 HG CYS 8 -5.513 0.551 1.849 60 HA PRO 9 HA PRO 9 -10.755 3.366 0.743 61 1HB PRO 9 1HB PRO 9 -12.224 2.711 2.873 62 2HB PRO 9 2HB PRO 9 -12.551 2.008 1.285 63 1HG PRO 9 1HG PRO 9 -11.238 0.794 3.661 64 2HG PRO 9 2HG PRO 9 -12.245 0.032 2.420 65 1HD PRO 9 1HD PRO 9 -9.414 0.044 2.545 66 2HD PRO 9 2HD PRO 9 -10.415 -0.523 1.199 67 H LYS 10 H LYS 10 -8.004 3.088 1.787 68 HA LYS 10 HA LYS 10 -8.156 4.132 4.497 69 1HB LYS 10 1HB LYS 10 -5.822 3.427 2.724 70 2HB LYS 10 2HB LYS 10 -5.619 4.248 4.240 71 1HG LYS 10 1HG LYS 10 -5.458 1.606 3.990 72 2HG LYS 10 2HG LYS 10 -5.991 2.404 5.469 73 1HD LYS 10 1HD LYS 10 -8.325 2.097 4.795 74 2HD LYS 10 2HD LYS 10 -7.795 1.315 3.305 75 1HE LYS 10 1HE LYS 10 -6.713 -0.446 4.630 76 2HE LYS 10 2HE LYS 10 -7.276 0.330 6.108 77 1HZ LYS 10 1HZ LYS 10 -9.588 0.067 4.998 78 2HZ LYS 10 2HZ LYS 10 -8.873 -1.262 5.760 79 3HZ LYS 10 3HZ LYS 10 -8.822 -1.128 4.075 80 H ARG 11 H ARG 11 -7.005 6.088 5.077 81 HA ARG 11 HA ARG 11 -6.695 8.095 2.989 82 1HB ARG 11 1HB ARG 11 -8.514 8.434 5.371 83 2HB ARG 11 2HB ARG 11 -8.031 9.725 4.293 84 1HG ARG 11 1HG ARG 11 -9.193 8.734 2.458 85 2HG ARG 11 2HG ARG 11 -9.521 7.274 3.395 86 1HD ARG 11 1HD ARG 11 -10.561 9.259 4.982 87 2HD ARG 11 2HD ARG 11 -10.920 9.836 3.356 88 HE ARG 11 HE ARG 11 -12.447 8.147 3.123 89 1HH1 ARG 11 1HH1 ARG 11 -10.420 7.436 5.891 90 2HH1 ARG 11 2HH1 ARG 11 -11.390 6.101 6.411 91 1HH2 ARG 11 1HH2 ARG 11 -13.719 6.386 3.816 92 2HH2 ARG 11 2HH2 ARG 11 -13.262 5.504 5.235 93 H PHE 12 H PHE 12 -5.188 9.657 3.480 94 HA PHE 12 HA PHE 12 -4.060 9.686 6.183 95 1HB PHE 12 1HB PHE 12 -2.329 9.392 3.753 96 2HB PHE 12 2HB PHE 12 -1.801 9.378 5.421 97 HD1 PHE 12 HD1 PHE 12 -4.203 7.545 3.229 98 HD2 PHE 12 HD2 PHE 12 -1.283 7.316 6.315 99 HE1 PHE 12 HE1 PHE 12 -4.416 5.109 3.235 100 HE2 PHE 12 HE2 PHE 12 -1.498 4.861 6.328 101 HZ PHE 12 HZ PHE 12 -3.065 3.757 4.772 102 H MET 13 H MET 13 -3.011 11.567 6.778 103 HA MET 13 HA MET 13 -3.798 13.931 5.356 104 1HB MET 13 1HB MET 13 -2.057 13.552 7.800 105 2HB MET 13 2HB MET 13 -2.563 15.116 7.177 106 1HG MET 13 1HG MET 13 -4.741 14.833 7.841 107 2HG MET 13 2HG MET 13 -4.631 13.072 7.823 108 1HE MET 13 1HE MET 13 -3.201 11.727 9.439 109 2HE MET 13 2HE MET 13 -4.783 11.846 10.208 110 3HE MET 13 3HE MET 13 -3.319 12.061 11.167 111 H ARG 14 H ARG 14 -0.914 11.982 5.562 112 HA ARG 14 HA ARG 14 0.664 14.011 4.154 113 1HB ARG 14 1HB ARG 14 1.441 11.424 5.509 114 2HB ARG 14 2HB ARG 14 2.563 12.397 4.570 115 1HG ARG 14 1HG ARG 14 3.001 13.099 6.714 116 2HG ARG 14 2HG ARG 14 1.843 14.313 6.168 117 1HD ARG 14 1HD ARG 14 0.670 13.830 8.004 118 2HD ARG 14 2HD ARG 14 0.245 12.314 7.209 119 HE ARG 14 HE ARG 14 1.618 11.201 8.659 120 1HH1 ARG 14 1HH1 ARG 14 2.357 14.620 8.843 121 2HH1 ARG 14 2HH1 ARG 14 3.411 14.444 10.205 122 1HH2 ARG 14 1HH2 ARG 14 3.009 10.977 10.454 123 2HH2 ARG 14 2HH2 ARG 14 3.783 12.377 11.117 124 H SER 15 H SER 15 1.960 13.350 2.296 125 HA SER 15 HA SER 15 0.433 11.590 0.545 126 1HB SER 15 1HB SER 15 0.816 13.275 -0.834 127 2HB SER 15 2HB SER 15 2.094 13.947 0.175 128 HG SER 15 HG SER 15 3.553 12.952 -1.006 129 H ASP 16 H ASP 16 3.762 11.995 1.730 130 HA ASP 16 HA ASP 16 4.795 9.716 0.373 131 1HB ASP 16 1HB ASP 16 5.974 11.811 1.567 132 2HB ASP 16 2HB ASP 16 6.114 10.629 2.862 133 H HIS 17 H HIS 17 3.760 10.278 3.731 134 HA HIS 17 HA HIS 17 4.317 7.712 4.720 135 1HB HIS 17 1HB HIS 17 2.361 9.842 5.556 136 2HB HIS 17 2HB HIS 17 2.452 8.300 6.394 137 HD1 HIS 17 HD1 HIS 17 3.161 9.753 8.494 138 HD2 HIS 17 HD2 HIS 17 5.880 9.700 5.355 139 HE1 HIS 17 HE1 HIS 17 5.302 10.644 9.447 140 HE2 HIS 17 HE2 HIS 17 6.909 10.694 7.509 141 H LEU 18 H LEU 18 1.420 9.029 3.151 142 HA LEU 18 HA LEU 18 -0.280 6.840 3.505 143 1HB LEU 18 1HB LEU 18 -0.912 9.084 2.633 144 2HB LEU 18 2HB LEU 18 -0.154 8.672 1.116 145 HG LEU 18 HG LEU 18 -2.306 6.915 2.200 146 1HD1 LEU 18 1HD1 LEU 18 -3.852 8.361 0.747 147 2HD1 LEU 18 2HD1 LEU 18 -2.623 9.610 0.955 148 3HD1 LEU 18 3HD1 LEU 18 -3.439 8.936 2.362 149 1HD2 LEU 18 1HD2 LEU 18 -2.601 7.211 -0.509 150 2HD2 LEU 18 2HD2 LEU 18 -1.770 5.884 0.309 151 3HD2 LEU 18 3HD2 LEU 18 -0.852 7.268 -0.287 152 H THR 19 H THR 19 1.949 7.613 0.837 153 HA THR 19 HA THR 19 1.413 5.329 -0.682 154 HB THR 19 HB THR 19 4.048 6.815 -0.560 155 HG1 THR 19 HG1 THR 19 2.857 8.426 -1.190 156 1HG2 THR 19 1HG2 THR 19 4.275 6.216 -2.901 157 2HG2 THR 19 2HG2 THR 19 2.763 5.310 -2.827 158 3HG2 THR 19 3HG2 THR 19 4.157 4.777 -1.889 159 H LEU 20 H LEU 20 3.533 5.893 2.061 160 HA LEU 20 HA LEU 20 5.135 3.602 1.944 161 1HB LEU 20 1HB LEU 20 5.156 5.648 3.566 162 2HB LEU 20 2HB LEU 20 4.068 4.679 4.538 163 HG LEU 20 HG LEU 20 6.320 4.459 5.361 164 1HD1 LEU 20 1HD1 LEU 20 5.829 1.870 3.951 165 2HD1 LEU 20 2HD1 LEU 20 4.712 2.450 5.186 166 3HD1 LEU 20 3HD1 LEU 20 6.404 2.159 5.593 167 1HD2 LEU 20 1HD2 LEU 20 8.141 3.614 4.050 168 2HD2 LEU 20 2HD2 LEU 20 7.449 5.007 3.219 169 3HD2 LEU 20 3HD2 LEU 20 7.086 3.374 2.658 170 H HIS 21 H HIS 21 1.913 4.145 3.272 171 HA HIS 21 HA HIS 21 1.419 1.688 4.469 172 1HB HIS 21 1HB HIS 21 -0.539 2.707 4.863 173 2HB HIS 21 2HB HIS 21 -0.059 4.023 3.830 174 HD1 HIS 21 HD1 HIS 21 -2.071 4.546 2.441 175 HD2 HIS 21 HD2 HIS 21 -1.400 0.471 2.728 176 HE1 HIS 21 HE1 HIS 21 -3.880 3.421 1.088 177 H ILE 22 H ILE 22 0.802 2.725 1.162 178 HA ILE 22 HA ILE 22 -0.405 0.362 0.292 179 HB ILE 22 HB ILE 22 1.079 2.221 -1.548 180 1HG1 ILE 22 1HG1 ILE 22 -1.784 2.689 -0.946 181 2HG1 ILE 22 2HG1 ILE 22 -0.661 3.163 0.307 182 1HG2 ILE 22 1HG2 ILE 22 -0.085 1.251 -3.208 183 2HG2 ILE 22 2HG2 ILE 22 -1.572 1.209 -2.256 184 3HG2 ILE 22 3HG2 ILE 22 -0.360 -0.055 -2.055 185 1HD1 ILE 22 1HD1 ILE 22 0.440 4.191 -1.997 186 2HD1 ILE 22 2HD1 ILE 22 -0.477 5.070 -0.774 187 3HD1 ILE 22 3HD1 ILE 22 -1.295 4.430 -2.198 188 H LEU 23 H LEU 23 2.741 0.553 1.284 189 HA LEU 23 HA LEU 23 3.998 -1.037 -0.736 190 1HB LEU 23 1HB LEU 23 4.731 0.038 1.909 191 2HB LEU 23 2HB LEU 23 5.486 -1.488 1.504 192 HG LEU 23 HG LEU 23 6.288 -0.424 -0.634 193 1HD1 LEU 23 1HD1 LEU 23 5.385 2.102 0.743 194 2HD1 LEU 23 2HD1 LEU 23 4.680 1.413 -0.719 195 3HD1 LEU 23 3HD1 LEU 23 6.340 2.011 -0.737 196 1HD2 LEU 23 1HD2 LEU 23 7.263 0.962 1.854 197 2HD2 LEU 23 2HD2 LEU 23 8.176 0.588 0.393 198 3HD2 LEU 23 3HD2 LEU 23 7.648 -0.713 1.459 199 H LEU 24 H LEU 24 2.179 -1.665 2.215 200 HA LEU 24 HA LEU 24 2.824 -4.461 2.300 201 1HB LEU 24 1HB LEU 24 0.706 -4.482 3.836 202 2HB LEU 24 2HB LEU 24 2.236 -3.848 4.395 203 HG LEU 24 HG LEU 24 1.368 -1.549 3.804 204 1HD1 LEU 24 1HD1 LEU 24 -1.239 -3.060 3.606 205 2HD1 LEU 24 2HD1 LEU 24 -0.436 -2.187 2.301 206 3HD1 LEU 24 3HD1 LEU 24 -1.080 -1.304 3.684 207 1HD2 LEU 24 1HD2 LEU 24 0.604 -1.293 5.923 208 2HD2 LEU 24 2HD2 LEU 24 1.325 -2.898 6.065 209 3HD2 LEU 24 3HD2 LEU 24 -0.417 -2.731 5.847 210 H HIS 25 H HIS 25 0.670 -2.618 0.409 211 HA HIS 25 HA HIS 25 -1.509 -4.320 0.088 212 1HB HIS 25 1HB HIS 25 -0.344 -2.074 -1.373 213 2HB HIS 25 2HB HIS 25 -1.156 -3.225 -2.429 214 HD1 HIS 25 HD1 HIS 25 -3.709 -3.899 -1.305 215 HD2 HIS 25 HD2 HIS 25 -2.021 -0.184 -0.525 216 HE1 HIS 25 HE1 HIS 25 -5.608 -2.391 -0.588 217 H GLU 26 H GLU 26 1.697 -4.459 -1.383 218 HA GLU 26 HA GLU 26 1.219 -6.280 -3.430 219 1HB GLU 26 1HB GLU 26 3.595 -6.849 -3.297 220 2HB GLU 26 2HB GLU 26 3.352 -5.113 -3.166 221 1HG GLU 26 1HG GLU 26 4.651 -5.174 -1.374 222 2HG GLU 26 2HG GLU 26 3.331 -5.991 -0.539 223 H ASN 27 H ASN 27 1.592 -6.839 0.023 224 HA ASN 27 HA ASN 27 1.597 -9.727 -0.316 225 1HB ASN 27 1HB ASN 27 2.933 -8.397 1.460 226 2HB ASN 27 2HB ASN 27 1.401 -8.290 2.321 227 1HD2 ASN 27 1HD2 ASN 27 3.770 -10.523 0.989 228 2HD2 ASN 27 2HD2 ASN 27 3.393 -11.838 2.044 229 H LYS 28 H LYS 28 -0.068 -11.094 0.233 230 HA LYS 28 HA LYS 28 -2.715 -9.963 0.192 231 1HB LYS 28 1HB LYS 28 -1.689 -12.796 0.322 232 2HB LYS 28 2HB LYS 28 -3.404 -12.406 0.361 233 1HG LYS 28 1HG LYS 28 -2.744 -11.045 -1.825 234 2HG LYS 28 2HG LYS 28 -1.470 -12.266 -1.876 235 1HD LYS 28 1HD LYS 28 -3.478 -13.908 -1.432 236 2HD LYS 28 2HD LYS 28 -4.426 -12.587 -2.116 237 1HE LYS 28 1HE LYS 28 -3.942 -13.748 -4.023 238 2HE LYS 28 2HE LYS 28 -2.555 -12.662 -3.973 239 1HZ LYS 28 1HZ LYS 28 -2.606 -15.473 -3.010 240 2HZ LYS 28 2HZ LYS 28 -1.275 -14.432 -2.909 241 3HZ LYS 28 3HZ LYS 28 -1.858 -14.915 -4.421 242 H LYS 29 H LYS 29 -4.358 -10.316 1.762 243 HA LYS 29 HA LYS 29 -3.500 -9.903 4.438 244 1HB LYS 29 1HB LYS 29 -6.192 -10.354 3.169 245 2HB LYS 29 2HB LYS 29 -6.017 -10.227 4.915 246 1HG LYS 29 1HG LYS 29 -5.041 -8.000 4.654 247 2HG LYS 29 2HG LYS 29 -5.225 -8.128 2.904 248 1HD LYS 29 1HD LYS 29 -7.659 -8.623 4.500 249 2HD LYS 29 2HD LYS 29 -7.044 -6.968 4.522 250 1HE LYS 29 1HE LYS 29 -7.093 -6.902 2.089 251 2HE LYS 29 2HE LYS 29 -7.651 -8.573 2.040 252 1HZ LYS 29 1HZ LYS 29 -9.673 -7.907 3.164 253 2HZ LYS 29 2HZ LYS 29 -9.468 -6.994 1.756 254 3HZ LYS 29 3HZ LYS 29 -9.132 -6.306 3.264 Start of MODEL 12 1 H TYR 1 H TYR 1 -11.258 14.520 1.840 2 HA TYR 1 HA TYR 1 -9.823 14.234 3.715 3 1HB TYR 1 1HB TYR 1 -10.165 11.438 2.915 4 2HB TYR 1 2HB TYR 1 -8.483 11.863 3.217 5 HD1 TYR 1 HD1 TYR 1 -11.753 11.304 4.703 6 HD2 TYR 1 HD2 TYR 1 -7.790 12.660 5.451 7 HE1 TYR 1 HE1 TYR 1 -12.139 11.081 7.121 8 HE2 TYR 1 HE2 TYR 1 -8.165 12.441 7.871 9 HH TYR 1 HH TYR 1 -10.746 12.444 9.342 10 H LYS 2 H LYS 2 -7.293 13.721 3.413 11 HA LYS 2 HA LYS 2 -6.423 15.376 1.312 12 1HB LYS 2 1HB LYS 2 -5.286 14.268 3.606 13 2HB LYS 2 2HB LYS 2 -4.338 13.602 2.285 14 1HG LYS 2 1HG LYS 2 -4.899 16.528 2.338 15 2HG LYS 2 2HG LYS 2 -3.666 15.859 3.408 16 1HD LYS 2 1HD LYS 2 -2.368 15.087 1.609 17 2HD LYS 2 2HD LYS 2 -3.701 15.254 0.466 18 1HE LYS 2 1HE LYS 2 -3.599 17.707 0.767 19 2HE LYS 2 2HE LYS 2 -2.205 17.494 1.824 20 1HZ LYS 2 1HZ LYS 2 -0.987 16.526 -0.012 21 2HZ LYS 2 2HZ LYS 2 -1.554 18.061 -0.441 22 3HZ LYS 2 3HZ LYS 2 -2.331 16.679 -1.031 23 H PHE 3 H PHE 3 -5.883 11.857 1.742 24 HA PHE 3 HA PHE 3 -5.851 11.603 -1.186 25 1HB PHE 3 1HB PHE 3 -3.735 10.979 0.720 26 2HB PHE 3 2HB PHE 3 -4.187 9.594 -0.256 27 HD1 PHE 3 HD1 PHE 3 -4.455 10.163 -2.851 28 HD2 PHE 3 HD2 PHE 3 -2.085 12.352 -0.076 29 HE1 PHE 3 HE1 PHE 3 -3.091 11.029 -4.705 30 HE2 PHE 3 HE2 PHE 3 -0.717 13.223 -1.926 31 HZ PHE 3 HZ PHE 3 -1.220 12.562 -4.244 32 H ALA 4 H ALA 4 -5.970 9.181 -1.798 33 HA ALA 4 HA ALA 4 -7.537 7.557 0.035 34 1HB ALA 4 1HB ALA 4 -8.645 8.492 -2.610 35 2HB ALA 4 2HB ALA 4 -9.275 8.866 -1.007 36 3HB ALA 4 3HB ALA 4 -9.348 7.214 -1.619 37 H CYS 5 H CYS 5 -6.899 5.498 -0.136 38 HA CYS 5 HA CYS 5 -5.000 4.700 -2.096 39 1HB CYS 5 1HB CYS 5 -5.204 3.813 0.280 40 2HB CYS 5 2HB CYS 5 -6.549 2.842 -0.293 41 HG CYS 5 HG CYS 5 -4.769 1.204 -0.737 42 HA PRO 6 HA PRO 6 -7.783 3.344 -5.280 43 1HB PRO 6 1HB PRO 6 -6.033 1.916 -6.769 44 2HB PRO 6 2HB PRO 6 -6.020 3.682 -6.722 45 1HG PRO 6 1HG PRO 6 -4.279 1.735 -5.260 46 2HG PRO 6 2HG PRO 6 -3.831 3.246 -6.072 47 1HD PRO 6 1HD PRO 6 -4.161 3.049 -3.381 48 2HD PRO 6 2HD PRO 6 -4.476 4.543 -4.290 49 H GLU 7 H GLU 7 -6.020 1.166 -3.211 50 HA GLU 7 HA GLU 7 -7.540 -1.145 -4.152 51 1HB GLU 7 1HB GLU 7 -5.033 -0.754 -2.585 52 2HB GLU 7 2HB GLU 7 -5.957 -2.222 -2.328 53 1HG GLU 7 1HG GLU 7 -4.505 -2.897 -3.957 54 2HG GLU 7 2HG GLU 7 -5.883 -2.385 -4.930 55 H CYS 8 H CYS 8 -6.858 0.681 -1.162 56 HA CYS 8 HA CYS 8 -9.254 -0.558 0.034 57 1HB CYS 8 1HB CYS 8 -8.197 -0.506 2.183 58 2HB CYS 8 2HB CYS 8 -7.093 -1.276 1.058 59 HG CYS 8 HG CYS 8 -5.448 0.522 1.410 60 HA PRO 9 HA PRO 9 -10.647 3.537 0.960 61 1HB PRO 9 1HB PRO 9 -12.247 3.120 3.049 62 2HB PRO 9 2HB PRO 9 -12.556 2.336 1.495 63 1HG PRO 9 1HG PRO 9 -11.412 1.198 3.997 64 2HG PRO 9 2HG PRO 9 -12.446 0.430 2.782 65 1HD PRO 9 1HD PRO 9 -9.633 0.223 2.987 66 2HD PRO 9 2HD PRO 9 -10.641 -0.331 1.639 67 H LYS 10 H LYS 10 -7.962 3.146 2.131 68 HA LYS 10 HA LYS 10 -8.107 4.252 4.799 69 1HB LYS 10 1HB LYS 10 -5.710 3.721 3.026 70 2HB LYS 10 2HB LYS 10 -5.627 4.268 4.677 71 1HG LYS 10 1HG LYS 10 -7.119 1.768 4.074 72 2HG LYS 10 2HG LYS 10 -5.354 1.743 4.104 73 1HD LYS 10 1HD LYS 10 -6.931 2.935 6.362 74 2HD LYS 10 2HD LYS 10 -6.630 1.198 6.276 75 1HE LYS 10 1HE LYS 10 -4.149 1.940 5.928 76 2HE LYS 10 2HE LYS 10 -4.699 3.446 6.662 77 1HZ LYS 10 1HZ LYS 10 -5.473 2.173 8.577 78 2HZ LYS 10 2HZ LYS 10 -3.815 1.952 8.326 79 3HZ LYS 10 3HZ LYS 10 -4.906 0.741 7.875 80 H ARG 11 H ARG 11 -6.942 6.240 5.374 81 HA ARG 11 HA ARG 11 -6.717 8.236 3.257 82 1HB ARG 11 1HB ARG 11 -8.246 9.776 4.174 83 2HB ARG 11 2HB ARG 11 -9.091 8.237 4.186 84 1HG ARG 11 1HG ARG 11 -7.707 9.440 6.577 85 2HG ARG 11 2HG ARG 11 -9.428 9.591 6.230 86 1HD ARG 11 1HD ARG 11 -7.900 7.056 6.801 87 2HD ARG 11 2HD ARG 11 -9.108 7.825 7.826 88 HE ARG 11 HE ARG 11 -9.582 6.128 5.552 89 1HH1 ARG 11 1HH1 ARG 11 -10.950 8.630 7.588 90 2HH1 ARG 11 2HH1 ARG 11 -12.586 8.209 7.211 91 1HH2 ARG 11 1HH2 ARG 11 -11.738 5.580 5.064 92 2HH2 ARG 11 2HH2 ARG 11 -13.034 6.478 5.780 93 H PHE 12 H PHE 12 -5.072 9.617 3.576 94 HA PHE 12 HA PHE 12 -3.988 9.933 6.287 95 1HB PHE 12 1HB PHE 12 -2.232 9.406 3.918 96 2HB PHE 12 2HB PHE 12 -1.741 9.494 5.594 97 HD1 PHE 12 HD1 PHE 12 -4.192 7.574 3.533 98 HD2 PHE 12 HD2 PHE 12 -1.221 7.475 6.577 99 HE1 PHE 12 HE1 PHE 12 -4.445 5.151 3.686 100 HE2 PHE 12 HE2 PHE 12 -1.478 5.030 6.740 101 HZ PHE 12 HZ PHE 12 -3.093 3.866 5.277 102 H MET 13 H MET 13 -2.962 11.873 6.706 103 HA MET 13 HA MET 13 -3.692 14.068 5.008 104 1HB MET 13 1HB MET 13 -2.342 13.781 7.660 105 2HB MET 13 2HB MET 13 -2.194 15.305 6.796 106 1HG MET 13 1HG MET 13 -4.927 14.485 6.785 107 2HG MET 13 2HG MET 13 -4.304 14.424 8.433 108 1HE MET 13 1HE MET 13 -5.711 16.669 5.646 109 2HE MET 13 2HE MET 13 -4.000 16.653 5.221 110 3HE MET 13 3HE MET 13 -4.755 18.145 5.781 111 H ARG 14 H ARG 14 -0.845 12.126 5.456 112 HA ARG 14 HA ARG 14 0.802 14.022 3.944 113 1HB ARG 14 1HB ARG 14 1.491 11.543 5.524 114 2HB ARG 14 2HB ARG 14 2.657 12.391 4.522 115 1HG ARG 14 1HG ARG 14 3.074 13.256 6.615 116 2HG ARG 14 2HG ARG 14 1.998 14.466 5.915 117 1HD ARG 14 1HD ARG 14 0.565 14.178 7.587 118 2HD ARG 14 2HD ARG 14 0.401 12.472 7.164 119 HE ARG 14 HE ARG 14 2.756 13.030 8.705 120 1HH1 ARG 14 1HH1 ARG 14 -0.679 12.371 8.907 121 2HH1 ARG 14 2HH1 ARG 14 -0.587 11.742 10.517 122 1HH2 ARG 14 1HH2 ARG 14 2.871 12.202 10.822 123 2HH2 ARG 14 2HH2 ARG 14 1.429 11.647 11.607 124 H SER 15 H SER 15 2.124 13.218 2.176 125 HA SER 15 HA SER 15 0.621 11.367 0.505 126 1HB SER 15 1HB SER 15 1.093 12.982 -0.939 127 2HB SER 15 2HB SER 15 2.416 13.621 0.034 128 HG SER 15 HG SER 15 3.800 12.468 -1.087 129 H ASP 16 H ASP 16 3.917 11.776 1.776 130 HA ASP 16 HA ASP 16 4.943 9.388 0.625 131 1HB ASP 16 1HB ASP 16 6.156 11.507 1.666 132 2HB ASP 16 2HB ASP 16 6.141 10.503 3.109 133 H HIS 17 H HIS 17 3.748 10.196 3.876 134 HA HIS 17 HA HIS 17 4.211 7.707 5.079 135 1HB HIS 17 1HB HIS 17 2.201 9.881 5.626 136 2HB HIS 17 2HB HIS 17 2.257 8.410 6.585 137 HD1 HIS 17 HD1 HIS 17 2.750 10.404 8.443 138 HD2 HIS 17 HD2 HIS 17 5.808 9.398 5.816 139 HE1 HIS 17 HE1 HIS 17 4.855 11.276 9.499 140 HE2 HIS 17 HE2 HIS 17 6.682 10.736 7.850 141 H LEU 18 H LEU 18 1.340 8.952 3.386 142 HA LEU 18 HA LEU 18 -0.330 6.747 3.738 143 1HB LEU 18 1HB LEU 18 -0.937 8.993 2.800 144 2HB LEU 18 2HB LEU 18 -0.207 8.503 1.293 145 HG LEU 18 HG LEU 18 -2.360 6.821 2.489 146 1HD1 LEU 18 1HD1 LEU 18 -3.401 8.925 2.579 147 2HD1 LEU 18 2HD1 LEU 18 -3.953 8.187 1.076 148 3HD1 LEU 18 3HD1 LEU 18 -2.694 9.424 1.046 149 1HD2 LEU 18 1HD2 LEU 18 -1.808 5.700 0.645 150 2HD2 LEU 18 2HD2 LEU 18 -0.967 7.082 -0.061 151 3HD2 LEU 18 3HD2 LEU 18 -2.720 6.949 -0.206 152 H THR 19 H THR 19 1.972 7.481 1.131 153 HA THR 19 HA THR 19 1.471 5.202 -0.400 154 HB THR 19 HB THR 19 4.041 6.787 -0.159 155 HG1 THR 19 HG1 THR 19 2.770 8.231 -1.018 156 1HG2 THR 19 1HG2 THR 19 4.604 4.795 -1.302 157 2HG2 THR 19 2HG2 THR 19 4.395 6.049 -2.526 158 3HG2 THR 19 3HG2 THR 19 3.127 4.851 -2.265 159 H LEU 20 H LEU 20 3.489 5.713 2.436 160 HA LEU 20 HA LEU 20 5.043 3.373 2.306 161 1HB LEU 20 1HB LEU 20 5.357 5.309 3.884 162 2HB LEU 20 2HB LEU 20 4.003 4.700 4.813 163 HG LEU 20 HG LEU 20 5.885 2.576 4.451 164 1HD1 LEU 20 1HD1 LEU 20 7.801 3.511 5.640 165 2HD1 LEU 20 2HD1 LEU 20 7.057 5.109 5.591 166 3HD1 LEU 20 3HD1 LEU 20 7.550 4.320 4.093 167 1HD2 LEU 20 1HD2 LEU 20 5.863 2.570 6.883 168 2HD2 LEU 20 2HD2 LEU 20 4.230 2.763 6.248 169 3HD2 LEU 20 3HD2 LEU 20 5.094 4.158 6.896 170 H HIS 21 H HIS 21 1.793 3.999 3.501 171 HA HIS 21 HA HIS 21 1.288 1.523 4.727 172 1HB HIS 21 1HB HIS 21 -0.653 2.554 5.202 173 2HB HIS 21 2HB HIS 21 -0.105 3.931 4.290 174 HD1 HIS 21 HD1 HIS 21 -2.019 4.687 2.873 175 HD2 HIS 21 HD2 HIS 21 -1.690 0.565 2.950 176 HE1 HIS 21 HE1 HIS 21 -3.890 3.781 1.435 177 H ILE 22 H ILE 22 0.511 2.712 1.503 178 HA ILE 22 HA ILE 22 -0.802 0.481 0.553 179 HB ILE 22 HB ILE 22 0.877 2.242 -1.221 180 1HG1 ILE 22 1HG1 ILE 22 -1.967 2.890 -0.685 181 2HG1 ILE 22 2HG1 ILE 22 -0.840 3.288 0.588 182 1HG2 ILE 22 1HG2 ILE 22 -0.527 0.097 -1.935 183 2HG2 ILE 22 2HG2 ILE 22 -0.444 1.539 -2.945 184 3HG2 ILE 22 3HG2 ILE 22 -1.843 1.270 -1.902 185 1HD1 ILE 22 1HD1 ILE 22 0.321 4.217 -1.766 186 2HD1 ILE 22 2HD1 ILE 22 -0.423 5.159 -0.474 187 3HD1 ILE 22 3HD1 ILE 22 -1.386 4.646 -1.857 188 H LEU 23 H LEU 23 2.510 0.652 1.325 189 HA LEU 23 HA LEU 23 3.691 -1.012 -0.557 190 1HB LEU 23 1HB LEU 23 5.462 -1.125 0.858 191 2HB LEU 23 2HB LEU 23 4.613 0.199 1.629 192 HG LEU 23 HG LEU 23 3.534 -1.723 3.068 193 1HD1 LEU 23 1HD1 LEU 23 4.292 -3.741 2.458 194 2HD1 LEU 23 2HD1 LEU 23 5.737 -3.296 3.366 195 3HD1 LEU 23 3HD1 LEU 23 5.691 -3.071 1.617 196 1HD2 LEU 23 1HD2 LEU 23 4.669 -0.347 4.429 197 2HD2 LEU 23 2HD2 LEU 23 6.024 -0.193 3.311 198 3HD2 LEU 23 3HD2 LEU 23 5.913 -1.595 4.375 199 H LEU 24 H LEU 24 1.549 -1.770 2.148 200 HA LEU 24 HA LEU 24 1.910 -4.542 2.276 201 1HB LEU 24 1HB LEU 24 -0.540 -4.581 3.021 202 2HB LEU 24 2HB LEU 24 0.605 -3.681 3.991 203 HG LEU 24 HG LEU 24 -0.350 -1.747 2.290 204 1HD1 LEU 24 1HD1 LEU 24 -2.716 -3.417 3.092 205 2HD1 LEU 24 2HD1 LEU 24 -2.052 -3.361 1.460 206 3HD1 LEU 24 3HD1 LEU 24 -2.723 -1.900 2.191 207 1HD2 LEU 24 1HD2 LEU 24 0.029 -1.710 4.767 208 2HD2 LEU 24 2HD2 LEU 24 -1.560 -2.452 4.952 209 3HD2 LEU 24 3HD2 LEU 24 -1.414 -0.855 4.220 210 H HIS 25 H HIS 25 -0.178 -2.636 0.130 211 HA HIS 25 HA HIS 25 -1.494 -4.817 -1.090 212 1HB HIS 25 1HB HIS 25 -0.928 -2.064 -2.216 213 2HB HIS 25 2HB HIS 25 -2.076 -3.219 -2.882 214 HD1 HIS 25 HD1 HIS 25 -4.062 -3.904 -1.027 215 HD2 HIS 25 HD2 HIS 25 -2.028 -0.319 -0.522 216 HE1 HIS 25 HE1 HIS 25 -5.502 -2.474 0.486 217 H GLU 26 H GLU 26 1.414 -2.989 -2.025 218 HA GLU 26 HA GLU 26 1.892 -4.406 -4.430 219 1HB GLU 26 1HB GLU 26 3.765 -2.825 -2.659 220 2HB GLU 26 2HB GLU 26 4.206 -3.457 -4.237 221 1HG GLU 26 1HG GLU 26 3.378 -1.655 -5.205 222 2HG GLU 26 2HG GLU 26 1.789 -2.007 -4.529 223 H ASN 27 H ASN 27 3.694 -4.579 -1.345 224 HA ASN 27 HA ASN 27 4.452 -7.337 -2.037 225 1HB ASN 27 1HB ASN 27 6.261 -5.588 -1.642 226 2HB ASN 27 2HB ASN 27 5.768 -5.593 0.047 227 1HD2 ASN 27 1HD2 ASN 27 7.658 -6.410 0.850 228 2HD2 ASN 27 2HD2 ASN 27 8.201 -8.021 0.545 229 H LYS 28 H LYS 28 3.500 -8.928 -0.963 230 HA LYS 28 HA LYS 28 2.830 -8.619 1.850 231 1HB LYS 28 1HB LYS 28 0.510 -9.660 1.299 232 2HB LYS 28 2HB LYS 28 0.743 -7.928 1.114 233 1HG LYS 28 1HG LYS 28 0.636 -8.015 -1.170 234 2HG LYS 28 2HG LYS 28 1.205 -9.685 -1.243 235 1HD LYS 28 1HD LYS 28 -0.933 -10.479 -0.420 236 2HD LYS 28 2HD LYS 28 -1.505 -8.819 -0.233 237 1HE LYS 28 1HE LYS 28 -0.551 -9.795 -2.896 238 2HE LYS 28 2HE LYS 28 -2.177 -10.189 -2.340 239 1HZ LYS 28 1HZ LYS 28 -2.186 -8.187 -3.672 240 2HZ LYS 28 2HZ LYS 28 -1.059 -7.454 -2.645 241 3HZ LYS 28 3HZ LYS 28 -2.610 -7.817 -2.076 242 H LYS 29 H LYS 29 3.702 -10.327 2.792 243 HA LYS 29 HA LYS 29 4.030 -12.813 1.302 244 1HB LYS 29 1HB LYS 29 5.461 -13.506 3.195 245 2HB LYS 29 2HB LYS 29 5.988 -11.997 2.469 246 1HG LYS 29 1HG LYS 29 5.101 -10.728 4.287 247 2HG LYS 29 2HG LYS 29 4.313 -12.154 4.964 248 1HD LYS 29 1HD LYS 29 6.981 -12.887 4.731 249 2HD LYS 29 2HD LYS 29 7.037 -11.212 5.280 250 1HE LYS 29 1HE LYS 29 5.236 -13.216 6.598 251 2HE LYS 29 2HE LYS 29 6.938 -13.094 7.042 252 1HZ LYS 29 1HZ LYS 29 6.580 -10.752 7.574 253 2HZ LYS 29 2HZ LYS 29 5.576 -11.751 8.497 254 3HZ LYS 29 3HZ LYS 29 4.940 -10.899 7.181 Start of MODEL 13 1 H TYR 1 H TYR 1 -9.400 13.258 6.327 2 HA TYR 1 HA TYR 1 -7.718 12.084 4.877 3 1HB TYR 1 1HB TYR 1 -9.557 11.145 3.538 4 2HB TYR 1 2HB TYR 1 -10.042 11.383 5.209 5 HD1 TYR 1 HD1 TYR 1 -10.972 11.847 1.852 6 HD2 TYR 1 HD2 TYR 1 -11.292 13.670 5.685 7 HE1 TYR 1 HE1 TYR 1 -12.943 13.100 1.087 8 HE2 TYR 1 HE2 TYR 1 -13.262 14.929 4.927 9 HH TYR 1 HH TYR 1 -14.044 15.591 2.082 10 H LYS 2 H LYS 2 -6.176 13.505 3.949 11 HA LYS 2 HA LYS 2 -6.812 15.255 1.794 12 1HB LYS 2 1HB LYS 2 -4.237 14.148 2.884 13 2HB LYS 2 2HB LYS 2 -4.259 15.134 1.429 14 1HG LYS 2 1HG LYS 2 -5.723 16.289 3.687 15 2HG LYS 2 2HG LYS 2 -3.991 16.084 3.961 16 1HD LYS 2 1HD LYS 2 -3.472 17.367 1.995 17 2HD LYS 2 2HD LYS 2 -5.176 17.444 1.544 18 1HE LYS 2 1HE LYS 2 -5.428 18.545 3.912 19 2HE LYS 2 2HE LYS 2 -3.711 18.888 3.704 20 1HZ LYS 2 1HZ LYS 2 -5.046 20.722 2.916 21 2HZ LYS 2 2HZ LYS 2 -5.889 19.708 1.858 22 3HZ LYS 2 3HZ LYS 2 -4.242 20.005 1.612 23 H PHE 3 H PHE 3 -5.332 12.012 1.929 24 HA PHE 3 HA PHE 3 -5.861 11.746 -0.955 25 1HB PHE 3 1HB PHE 3 -3.546 11.035 0.725 26 2HB PHE 3 2HB PHE 3 -4.042 9.800 -0.414 27 HD1 PHE 3 HD1 PHE 3 -3.812 10.133 -2.795 28 HD2 PHE 3 HD2 PHE 3 -2.714 13.182 -0.037 29 HE1 PHE 3 HE1 PHE 3 -2.616 11.319 -4.588 30 HE2 PHE 3 HE2 PHE 3 -1.518 14.374 -1.824 31 HZ PHE 3 HZ PHE 3 -1.467 13.443 -4.104 32 H ALA 4 H ALA 4 -5.980 9.335 -1.591 33 HA ALA 4 HA ALA 4 -7.270 7.639 0.391 34 1HB ALA 4 1HB ALA 4 -9.261 7.266 -0.982 35 2HB ALA 4 2HB ALA 4 -8.696 8.476 -2.134 36 3HB ALA 4 3HB ALA 4 -9.127 8.956 -0.492 37 H CYS 5 H CYS 5 -6.919 5.494 0.011 38 HA CYS 5 HA CYS 5 -5.038 4.785 -2.018 39 1HB CYS 5 1HB CYS 5 -5.298 3.747 0.326 40 2HB CYS 5 2HB CYS 5 -6.597 2.800 -0.382 41 HG CYS 5 HG CYS 5 -4.884 1.253 -1.165 42 HA PRO 6 HA PRO 6 -7.914 3.664 -5.210 43 1HB PRO 6 1HB PRO 6 -6.235 2.326 -6.837 44 2HB PRO 6 2HB PRO 6 -6.155 4.081 -6.644 45 1HG PRO 6 1HG PRO 6 -4.461 1.958 -5.386 46 2HG PRO 6 2HG PRO 6 -3.972 3.516 -6.077 47 1HD PRO 6 1HD PRO 6 -4.284 3.087 -3.401 48 2HD PRO 6 2HD PRO 6 -4.509 4.670 -4.173 49 H GLU 7 H GLU 7 -6.163 1.343 -3.307 50 HA GLU 7 HA GLU 7 -7.732 -0.887 -4.366 51 1HB GLU 7 1HB GLU 7 -5.161 -0.620 -2.891 52 2HB GLU 7 2HB GLU 7 -6.099 -2.079 -2.630 53 1HG GLU 7 1HG GLU 7 -4.636 -2.636 -4.349 54 2HG GLU 7 2HG GLU 7 -6.154 -2.287 -5.174 55 H CYS 8 H CYS 8 -6.881 0.656 -1.262 56 HA CYS 8 HA CYS 8 -9.247 -0.631 -0.061 57 1HB CYS 8 1HB CYS 8 -8.133 -0.586 2.059 58 2HB CYS 8 2HB CYS 8 -7.027 -1.286 0.890 59 HG CYS 8 HG CYS 8 -5.463 0.599 1.203 60 HA PRO 9 HA PRO 9 -10.771 3.380 0.984 61 1HB PRO 9 1HB PRO 9 -12.233 2.879 3.167 62 2HB PRO 9 2HB PRO 9 -12.617 2.141 1.609 63 1HG PRO 9 1HG PRO 9 -11.344 0.941 4.009 64 2HG PRO 9 2HG PRO 9 -12.386 0.188 2.790 65 1HD PRO 9 1HD PRO 9 -9.557 0.081 2.920 66 2HD PRO 9 2HD PRO 9 -10.584 -0.488 1.594 67 H LYS 10 H LYS 10 -8.018 3.073 2.029 68 HA LYS 10 HA LYS 10 -8.097 4.209 4.692 69 1HB LYS 10 1HB LYS 10 -5.740 3.699 2.863 70 2HB LYS 10 2HB LYS 10 -5.631 4.250 4.511 71 1HG LYS 10 1HG LYS 10 -7.173 1.782 4.133 72 2HG LYS 10 2HG LYS 10 -5.450 1.674 3.774 73 1HD LYS 10 1HD LYS 10 -6.062 3.105 6.255 74 2HD LYS 10 2HD LYS 10 -6.566 1.414 6.258 75 1HE LYS 10 1HE LYS 10 -3.820 2.222 5.362 76 2HE LYS 10 2HE LYS 10 -4.191 1.989 7.069 77 1HZ LYS 10 1HZ LYS 10 -3.305 -0.027 6.161 78 2HZ LYS 10 2HZ LYS 10 -4.445 -0.036 4.912 79 3HZ LYS 10 3HZ LYS 10 -4.943 -0.275 6.510 80 H ARG 11 H ARG 11 -7.020 6.235 5.205 81 HA ARG 11 HA ARG 11 -6.825 8.190 3.044 82 1HB ARG 11 1HB ARG 11 -8.211 9.792 4.533 83 2HB ARG 11 2HB ARG 11 -9.061 8.613 3.546 84 1HG ARG 11 1HG ARG 11 -9.443 7.201 5.437 85 2HG ARG 11 2HG ARG 11 -8.404 8.202 6.455 86 1HD ARG 11 1HD ARG 11 -9.947 9.945 6.526 87 2HD ARG 11 2HD ARG 11 -10.810 9.366 5.102 88 HE ARG 11 HE ARG 11 -11.030 7.428 7.103 89 1HH1 ARG 11 1HH1 ARG 11 -12.093 10.704 6.476 90 2HH1 ARG 11 2HH1 ARG 11 -13.532 10.548 7.425 91 1HH2 ARG 11 1HH2 ARG 11 -12.923 7.231 8.355 92 2HH2 ARG 11 2HH2 ARG 11 -14.002 8.579 8.494 93 H PHE 12 H PHE 12 -5.188 9.593 3.353 94 HA PHE 12 HA PHE 12 -4.170 9.987 6.081 95 1HB PHE 12 1HB PHE 12 -2.352 9.470 3.759 96 2HB PHE 12 2HB PHE 12 -1.908 9.572 5.447 97 HD1 PHE 12 HD1 PHE 12 -4.284 7.604 3.342 98 HD2 PHE 12 HD2 PHE 12 -1.365 7.568 6.436 99 HE1 PHE 12 HE1 PHE 12 -4.501 5.177 3.505 100 HE2 PHE 12 HE2 PHE 12 -1.586 5.120 6.609 101 HZ PHE 12 HZ PHE 12 -3.157 3.923 5.128 102 H MET 13 H MET 13 -3.127 11.935 6.471 103 HA MET 13 HA MET 13 -3.851 14.088 4.699 104 1HB MET 13 1HB MET 13 -2.859 15.549 6.422 105 2HB MET 13 2HB MET 13 -4.036 14.432 7.095 106 1HG MET 13 1HG MET 13 -2.364 13.100 8.078 107 2HG MET 13 2HG MET 13 -1.088 13.875 7.141 108 1HE MET 13 1HE MET 13 -2.915 13.721 10.438 109 2HE MET 13 2HE MET 13 -1.762 14.725 11.319 110 3HE MET 13 3HE MET 13 -1.191 13.357 10.364 111 H ARG 14 H ARG 14 -1.041 12.151 5.272 112 HA ARG 14 HA ARG 14 0.691 14.026 3.832 113 1HB ARG 14 1HB ARG 14 1.311 11.500 5.372 114 2HB ARG 14 2HB ARG 14 2.512 12.440 4.500 115 1HG ARG 14 1HG ARG 14 1.414 14.367 6.039 116 2HG ARG 14 2HG ARG 14 1.216 12.959 7.084 117 1HD ARG 14 1HD ARG 14 3.317 13.954 7.609 118 2HD ARG 14 2HD ARG 14 3.639 12.457 6.732 119 HE ARG 14 HE ARG 14 3.583 14.476 4.843 120 1HH1 ARG 14 1HH1 ARG 14 5.493 13.663 7.662 121 2HH1 ARG 14 2HH1 ARG 14 6.926 14.428 7.063 122 1HH2 ARG 14 1HH2 ARG 14 5.473 15.481 4.058 123 2HH2 ARG 14 2HH2 ARG 14 6.915 15.460 5.016 124 H SER 15 H SER 15 2.052 13.217 2.100 125 HA SER 15 HA SER 15 0.594 11.346 0.401 126 1HB SER 15 1HB SER 15 1.133 12.755 -1.202 127 2HB SER 15 2HB SER 15 2.069 13.729 -0.072 128 HG SER 15 HG SER 15 3.876 12.825 -0.767 129 H ASP 16 H ASP 16 3.863 11.819 1.719 130 HA ASP 16 HA ASP 16 4.939 9.444 0.583 131 1HB ASP 16 1HB ASP 16 6.070 11.610 1.711 132 2HB ASP 16 2HB ASP 16 6.147 10.495 3.069 133 H HIS 17 H HIS 17 3.754 10.246 3.845 134 HA HIS 17 HA HIS 17 4.229 7.755 5.037 135 1HB HIS 17 1HB HIS 17 2.244 9.944 5.608 136 2HB HIS 17 2HB HIS 17 2.259 8.457 6.546 137 HD1 HIS 17 HD1 HIS 17 2.778 10.534 8.372 138 HD2 HIS 17 HD2 HIS 17 5.845 9.248 5.881 139 HE1 HIS 17 HE1 HIS 17 4.904 11.307 9.469 140 HE2 HIS 17 HE2 HIS 17 6.750 10.437 7.991 141 H LEU 18 H LEU 18 1.373 8.985 3.317 142 HA LEU 18 HA LEU 18 -0.312 6.788 3.698 143 1HB LEU 18 1HB LEU 18 -0.919 9.015 2.738 144 2HB LEU 18 2HB LEU 18 -0.147 8.538 1.249 145 HG LEU 18 HG LEU 18 -2.343 6.865 2.388 146 1HD1 LEU 18 1HD1 LEU 18 -3.454 8.900 2.390 147 2HD1 LEU 18 2HD1 LEU 18 -3.819 8.249 0.794 148 3HD1 LEU 18 3HD1 LEU 18 -2.575 9.486 0.981 149 1HD2 LEU 18 1HD2 LEU 18 -1.761 5.706 0.582 150 2HD2 LEU 18 2HD2 LEU 18 -0.831 7.048 -0.088 151 3HD2 LEU 18 3HD2 LEU 18 -2.575 6.977 -0.335 152 H THR 19 H THR 19 2.017 7.485 1.102 153 HA THR 19 HA THR 19 1.521 5.203 -0.418 154 HB THR 19 HB THR 19 4.113 6.742 -0.134 155 HG1 THR 19 HG1 THR 19 2.868 8.201 -1.014 156 1HG2 THR 19 1HG2 THR 19 4.671 4.741 -1.251 157 2HG2 THR 19 2HG2 THR 19 4.487 5.977 -2.497 158 3HG2 THR 19 3HG2 THR 19 3.206 4.795 -2.231 159 H LEU 20 H LEU 20 3.512 5.705 2.443 160 HA LEU 20 HA LEU 20 5.044 3.362 2.373 161 1HB LEU 20 1HB LEU 20 5.357 5.237 3.974 162 2HB LEU 20 2HB LEU 20 3.896 4.750 4.804 163 HG LEU 20 HG LEU 20 6.090 4.062 5.862 164 1HD1 LEU 20 1HD1 LEU 20 5.050 2.356 6.895 165 2HD1 LEU 20 2HD1 LEU 20 4.613 1.559 5.384 166 3HD1 LEU 20 3HD1 LEU 20 3.662 2.925 5.967 167 1HD2 LEU 20 1HD2 LEU 20 7.120 3.373 3.670 168 2HD2 LEU 20 2HD2 LEU 20 6.097 1.938 3.731 169 3HD2 LEU 20 3HD2 LEU 20 7.299 2.218 4.991 170 H HIS 21 H HIS 21 1.787 3.986 3.570 171 HA HIS 21 HA HIS 21 1.224 1.494 4.702 172 1HB HIS 21 1HB HIS 21 -0.717 2.527 5.147 173 2HB HIS 21 2HB HIS 21 -0.131 3.919 4.283 174 HD1 HIS 21 HD1 HIS 21 -1.961 4.732 2.802 175 HD2 HIS 21 HD2 HIS 21 -1.769 0.596 2.886 176 HE1 HIS 21 HE1 HIS 21 -3.815 3.896 1.305 177 H ILE 22 H ILE 22 0.605 2.697 1.444 178 HA ILE 22 HA ILE 22 -0.714 0.430 0.497 179 HB ILE 22 HB ILE 22 0.926 2.200 -1.298 180 1HG1 ILE 22 1HG1 ILE 22 -1.902 2.885 -0.741 181 2HG1 ILE 22 2HG1 ILE 22 -0.762 3.273 0.528 182 1HG2 ILE 22 1HG2 ILE 22 -0.609 0.045 -1.887 183 2HG2 ILE 22 2HG2 ILE 22 -0.334 1.395 -2.989 184 3HG2 ILE 22 3HG2 ILE 22 -1.798 1.343 -2.002 185 1HD1 ILE 22 1HD1 ILE 22 -1.283 4.607 -1.951 186 2HD1 ILE 22 2HD1 ILE 22 0.422 4.181 -1.810 187 3HD1 ILE 22 3HD1 ILE 22 -0.354 5.142 -0.553 188 H LEU 23 H LEU 23 2.530 0.582 1.387 189 HA LEU 23 HA LEU 23 3.770 -0.998 -0.571 190 1HB LEU 23 1HB LEU 23 4.342 -0.234 2.212 191 2HB LEU 23 2HB LEU 23 5.045 -1.759 1.719 192 HG LEU 23 HG LEU 23 6.092 -0.572 -0.224 193 1HD1 LEU 23 1HD1 LEU 23 4.601 1.336 -0.356 194 2HD1 LEU 23 2HD1 LEU 23 6.263 1.871 -0.106 195 3HD1 LEU 23 3HD1 LEU 23 5.122 1.878 1.238 196 1HD2 LEU 23 1HD2 LEU 23 7.371 -1.082 1.775 197 2HD2 LEU 23 2HD2 LEU 23 6.809 0.407 2.536 198 3HD2 LEU 23 3HD2 LEU 23 7.855 0.482 1.118 199 H LEU 24 H LEU 24 1.760 -1.874 2.228 200 HA LEU 24 HA LEU 24 2.312 -4.641 2.199 201 1HB LEU 24 1HB LEU 24 -0.242 -4.693 3.038 202 2HB LEU 24 2HB LEU 24 1.130 -4.354 4.066 203 HG LEU 24 HG LEU 24 0.680 -1.901 3.648 204 1HD1 LEU 24 1HD1 LEU 24 -0.697 -1.782 1.779 205 2HD1 LEU 24 2HD1 LEU 24 -1.829 -1.543 3.109 206 3HD1 LEU 24 3HD1 LEU 24 -1.713 -3.117 2.321 207 1HD2 LEU 24 1HD2 LEU 24 -1.650 -3.192 4.977 208 2HD2 LEU 24 2HD2 LEU 24 -0.689 -1.803 5.488 209 3HD2 LEU 24 3HD2 LEU 24 -0.024 -3.433 5.617 210 H HIS 25 H HIS 25 0.083 -2.721 0.267 211 HA HIS 25 HA HIS 25 -1.426 -4.824 -0.834 212 1HB HIS 25 1HB HIS 25 -0.729 -2.101 -1.947 213 2HB HIS 25 2HB HIS 25 -1.866 -3.204 -2.715 214 HD1 HIS 25 HD1 HIS 25 -3.765 -4.056 -0.667 215 HD2 HIS 25 HD2 HIS 25 -2.069 -0.267 -0.562 216 HE1 HIS 25 HE1 HIS 25 -5.298 -2.629 0.750 217 H GLU 26 H GLU 26 1.612 -3.325 -1.870 218 HA GLU 26 HA GLU 26 1.860 -4.789 -4.290 219 1HB GLU 26 1HB GLU 26 4.099 -3.579 -2.660 220 2HB GLU 26 2HB GLU 26 4.123 -3.956 -4.376 221 1HG GLU 26 1HG GLU 26 2.664 -1.755 -2.960 222 2HG GLU 26 2HG GLU 26 3.844 -1.640 -4.263 223 H ASN 27 H ASN 27 3.203 -5.259 -1.030 224 HA ASN 27 HA ASN 27 3.727 -8.066 -1.744 225 1HB ASN 27 1HB ASN 27 5.573 -6.072 -0.509 226 2HB ASN 27 2HB ASN 27 5.662 -7.739 0.052 227 1HD2 ASN 27 1HD2 ASN 27 6.416 -9.330 -1.321 228 2HD2 ASN 27 2HD2 ASN 27 7.200 -8.973 -2.818 229 H LYS 28 H LYS 28 2.069 -9.020 -0.693 230 HA LYS 28 HA LYS 28 1.639 -8.335 2.136 231 1HB LYS 28 1HB LYS 28 -0.164 -8.742 -0.010 232 2HB LYS 28 2HB LYS 28 -0.383 -10.092 1.092 233 1HG LYS 28 1HG LYS 28 -0.341 -7.274 2.099 234 2HG LYS 28 2HG LYS 28 -1.809 -7.985 1.426 235 1HD LYS 28 1HD LYS 28 -1.540 -9.866 3.062 236 2HD LYS 28 2HD LYS 28 -0.226 -8.951 3.804 237 1HE LYS 28 1HE LYS 28 -2.985 -7.813 3.434 238 2HE LYS 28 2HE LYS 28 -2.526 -8.731 4.867 239 1HZ LYS 28 1HZ LYS 28 -0.702 -7.105 5.194 240 2HZ LYS 28 2HZ LYS 28 -2.244 -6.424 5.325 241 3HZ LYS 28 3HZ LYS 28 -1.332 -6.183 3.921 242 H LYS 29 H LYS 29 3.779 -9.682 2.172 243 HA LYS 29 HA LYS 29 3.022 -12.438 2.859 244 1HB LYS 29 1HB LYS 29 5.372 -11.547 1.196 245 2HB LYS 29 2HB LYS 29 5.343 -13.103 2.015 246 1HG LYS 29 1HG LYS 29 3.266 -13.657 0.779 247 2HG LYS 29 2HG LYS 29 3.440 -12.144 -0.111 248 1HD LYS 29 1HD LYS 29 5.687 -12.924 -0.860 249 2HD LYS 29 2HD LYS 29 5.350 -14.478 -0.094 250 1HE LYS 29 1HE LYS 29 3.385 -14.750 -1.540 251 2HE LYS 29 2HE LYS 29 3.747 -13.208 -2.313 252 1HZ LYS 29 1HZ LYS 29 5.488 -15.616 -2.339 253 2HZ LYS 29 2HZ LYS 29 5.858 -14.132 -3.065 254 3HZ LYS 29 3HZ LYS 29 4.556 -15.051 -3.633 Start of MODEL 14 1 H TYR 1 H TYR 1 -9.695 15.573 3.952 2 HA TYR 1 HA TYR 1 -8.350 13.656 4.726 3 1HB TYR 1 1HB TYR 1 -9.848 12.289 2.475 4 2HB TYR 1 2HB TYR 1 -8.551 11.594 3.440 5 HD1 TYR 1 HD1 TYR 1 -11.835 11.214 2.936 6 HD2 TYR 1 HD2 TYR 1 -9.222 12.144 6.163 7 HE1 TYR 1 HE1 TYR 1 -13.499 10.350 4.525 8 HE2 TYR 1 HE2 TYR 1 -10.879 11.281 7.760 9 HH TYR 1 HH TYR 1 -13.067 9.342 7.276 10 H LYS 2 H LYS 2 -6.349 13.505 3.716 11 HA LYS 2 HA LYS 2 -5.962 15.326 1.505 12 1HB LYS 2 1HB LYS 2 -4.419 15.345 3.417 13 2HB LYS 2 2HB LYS 2 -3.950 13.690 3.059 14 1HG LYS 2 1HG LYS 2 -2.228 14.924 2.142 15 2HG LYS 2 2HG LYS 2 -3.269 14.616 0.752 16 1HD LYS 2 1HD LYS 2 -4.309 16.946 1.709 17 2HD LYS 2 2HD LYS 2 -2.597 17.140 2.088 18 1HE LYS 2 1HE LYS 2 -3.649 16.367 -0.629 19 2HE LYS 2 2HE LYS 2 -3.280 18.023 -0.152 20 1HZ LYS 2 1HZ LYS 2 -1.423 17.112 -1.326 21 2HZ LYS 2 2HZ LYS 2 -1.366 15.758 -0.316 22 3HZ LYS 2 3HZ LYS 2 -0.981 17.287 0.298 23 H PHE 3 H PHE 3 -4.832 11.966 2.082 24 HA PHE 3 HA PHE 3 -5.027 11.535 -0.824 25 1HB PHE 3 1HB PHE 3 -2.950 10.880 1.143 26 2HB PHE 3 2HB PHE 3 -3.384 9.545 0.097 27 HD1 PHE 3 HD1 PHE 3 -2.207 9.309 -1.858 28 HD2 PHE 3 HD2 PHE 3 -2.653 13.189 -0.168 29 HE1 PHE 3 HE1 PHE 3 -0.799 10.246 -3.644 30 HE2 PHE 3 HE2 PHE 3 -1.248 14.133 -1.952 31 HZ PHE 3 HZ PHE 3 -0.319 12.661 -3.695 32 H ALA 4 H ALA 4 -5.383 9.244 -1.467 33 HA ALA 4 HA ALA 4 -6.765 7.542 0.427 34 1HB ALA 4 1HB ALA 4 -8.571 9.011 -0.243 35 2HB ALA 4 2HB ALA 4 -8.825 7.403 -0.920 36 3HB ALA 4 3HB ALA 4 -8.223 8.706 -1.945 37 H CYS 5 H CYS 5 -6.472 5.435 -0.064 38 HA CYS 5 HA CYS 5 -4.807 4.724 -2.268 39 1HB CYS 5 1HB CYS 5 -4.944 3.584 0.029 40 2HB CYS 5 2HB CYS 5 -6.372 2.770 -0.587 41 HG CYS 5 HG CYS 5 -3.670 2.398 -2.062 42 HA PRO 6 HA PRO 6 -8.016 3.996 -5.261 43 1HB PRO 6 1HB PRO 6 -6.556 2.705 -7.128 44 2HB PRO 6 2HB PRO 6 -6.383 4.438 -6.829 45 1HG PRO 6 1HG PRO 6 -4.675 2.173 -5.874 46 2HG PRO 6 2HG PRO 6 -4.184 3.753 -6.512 47 1HD PRO 6 1HD PRO 6 -4.257 3.168 -3.851 48 2HD PRO 6 2HD PRO 6 -4.504 4.804 -4.498 49 H GLU 7 H GLU 7 -6.299 1.507 -3.596 50 HA GLU 7 HA GLU 7 -8.021 -0.592 -4.701 51 1HB GLU 7 1HB GLU 7 -5.422 -0.747 -4.452 52 2HB GLU 7 2HB GLU 7 -5.784 -1.093 -2.768 53 1HG GLU 7 1HG GLU 7 -7.335 -2.917 -3.668 54 2HG GLU 7 2HG GLU 7 -6.498 -2.685 -5.203 55 H CYS 8 H CYS 8 -6.974 0.799 -1.589 56 HA CYS 8 HA CYS 8 -9.345 -0.438 -0.341 57 1HB CYS 8 1HB CYS 8 -8.132 -0.521 1.748 58 2HB CYS 8 2HB CYS 8 -7.187 -1.311 0.496 59 HG CYS 8 HG CYS 8 -5.412 0.389 0.725 60 HA PRO 9 HA PRO 9 -10.578 3.605 0.951 61 1HB PRO 9 1HB PRO 9 -12.099 3.066 3.067 62 2HB PRO 9 2HB PRO 9 -12.487 2.405 1.474 63 1HG PRO 9 1HG PRO 9 -11.257 1.065 3.834 64 2HG PRO 9 2HG PRO 9 -12.372 0.410 2.623 65 1HD PRO 9 1HD PRO 9 -9.564 0.117 2.666 66 2HD PRO 9 2HD PRO 9 -10.649 -0.300 1.329 67 H LYS 10 H LYS 10 -7.859 3.248 1.901 68 HA LYS 10 HA LYS 10 -7.916 4.165 4.667 69 1HB LYS 10 1HB LYS 10 -5.451 3.853 2.955 70 2HB LYS 10 2HB LYS 10 -5.554 3.907 4.689 71 1HG LYS 10 1HG LYS 10 -7.073 1.726 3.473 72 2HG LYS 10 2HG LYS 10 -5.327 1.644 3.239 73 1HD LYS 10 1HD LYS 10 -6.261 2.291 5.969 74 2HD LYS 10 2HD LYS 10 -6.574 0.650 5.397 75 1HE LYS 10 1HE LYS 10 -4.159 0.482 4.789 76 2HE LYS 10 2HE LYS 10 -3.908 2.045 5.563 77 1HZ LYS 10 1HZ LYS 10 -3.369 0.219 7.049 78 2HZ LYS 10 2HZ LYS 10 -4.937 -0.397 6.904 79 3HZ LYS 10 3HZ LYS 10 -4.683 1.102 7.646 80 H ARG 11 H ARG 11 -7.068 6.152 5.342 81 HA ARG 11 HA ARG 11 -6.604 8.187 3.280 82 1HB ARG 11 1HB ARG 11 -8.025 9.787 4.605 83 2HB ARG 11 2HB ARG 11 -8.914 8.508 3.790 84 1HG ARG 11 1HG ARG 11 -8.289 7.541 6.361 85 2HG ARG 11 2HG ARG 11 -8.868 9.195 6.562 86 1HD ARG 11 1HD ARG 11 -10.965 8.689 5.863 87 2HD ARG 11 2HD ARG 11 -10.404 7.488 4.703 88 HE ARG 11 HE ARG 11 -10.704 5.878 6.290 89 1HH1 ARG 11 1HH1 ARG 11 -10.617 8.984 7.906 90 2HH1 ARG 11 2HH1 ARG 11 -11.040 8.329 9.450 91 1HH2 ARG 11 1HH2 ARG 11 -11.262 5.022 8.329 92 2HH2 ARG 11 2HH2 ARG 11 -11.405 6.081 9.692 93 H PHE 12 H PHE 12 -4.911 9.471 3.716 94 HA PHE 12 HA PHE 12 -3.954 9.632 6.494 95 1HB PHE 12 1HB PHE 12 -2.180 9.319 4.098 96 2HB PHE 12 2HB PHE 12 -1.664 9.362 5.765 97 HD1 PHE 12 HD1 PHE 12 -4.169 7.459 3.774 98 HD2 PHE 12 HD2 PHE 12 -0.984 7.306 6.583 99 HE1 PHE 12 HE1 PHE 12 -4.379 5.032 3.858 100 HE2 PHE 12 HE2 PHE 12 -1.194 4.849 6.674 101 HZ PHE 12 HZ PHE 12 -2.904 3.713 5.294 102 H MET 13 H MET 13 -2.924 11.532 7.103 103 HA MET 13 HA MET 13 -3.803 13.893 5.812 104 1HB MET 13 1HB MET 13 -1.808 13.421 8.026 105 2HB MET 13 2HB MET 13 -2.243 15.028 7.462 106 1HG MET 13 1HG MET 13 -4.629 14.461 7.993 107 2HG MET 13 2HG MET 13 -4.029 12.994 8.764 108 1HE MET 13 1HE MET 13 -4.951 14.491 11.844 109 2HE MET 13 2HE MET 13 -3.548 13.423 11.858 110 3HE MET 13 3HE MET 13 -4.866 13.131 10.724 111 H ARG 14 H ARG 14 -0.773 12.101 5.724 112 HA ARG 14 HA ARG 14 0.433 14.159 4.021 113 1HB ARG 14 1HB ARG 14 1.514 11.899 5.650 114 2HB ARG 14 2HB ARG 14 2.442 12.467 4.270 115 1HG ARG 14 1HG ARG 14 3.169 14.245 5.379 116 2HG ARG 14 2HG ARG 14 1.540 14.672 5.905 117 1HD ARG 14 1HD ARG 14 2.058 14.026 7.963 118 2HD ARG 14 2HD ARG 14 2.301 12.382 7.368 119 HE ARG 14 HE ARG 14 4.648 13.566 6.787 120 1HH1 ARG 14 1HH1 ARG 14 2.764 13.420 9.738 121 2HH1 ARG 14 2HH1 ARG 14 4.149 13.528 10.770 122 1HH2 ARG 14 1HH2 ARG 14 6.464 13.706 8.153 123 2HH2 ARG 14 2HH2 ARG 14 6.251 13.692 9.871 124 H SER 15 H SER 15 1.707 13.395 2.144 125 HA SER 15 HA SER 15 0.095 11.576 0.551 126 1HB SER 15 1HB SER 15 0.846 12.656 -1.258 127 2HB SER 15 2HB SER 15 1.221 13.922 -0.095 128 HG SER 15 HG SER 15 2.905 12.333 -1.577 129 H ASP 16 H ASP 16 3.459 11.892 1.640 130 HA ASP 16 HA ASP 16 4.350 9.480 0.428 131 1HB ASP 16 1HB ASP 16 6.411 9.860 1.513 132 2HB ASP 16 2HB ASP 16 5.775 11.470 1.205 133 H HIS 17 H HIS 17 2.881 10.263 3.505 134 HA HIS 17 HA HIS 17 3.543 7.885 4.875 135 1HB HIS 17 1HB HIS 17 1.484 10.022 5.233 136 2HB HIS 17 2HB HIS 17 1.337 8.529 6.146 137 HD1 HIS 17 HD1 HIS 17 1.819 9.678 8.378 138 HD2 HIS 17 HD2 HIS 17 4.858 10.115 5.581 139 HE1 HIS 17 HE1 HIS 17 3.764 10.615 9.643 140 HE2 HIS 17 HE2 HIS 17 5.565 10.966 7.918 141 H LEU 18 H LEU 18 0.505 8.831 3.214 142 HA LEU 18 HA LEU 18 -0.781 6.358 3.494 143 1HB LEU 18 1HB LEU 18 -1.847 8.485 2.761 144 2HB LEU 18 2HB LEU 18 -1.076 8.306 1.210 145 HG LEU 18 HG LEU 18 -2.839 6.121 2.235 146 1HD1 LEU 18 1HD1 LEU 18 -3.745 8.739 1.985 147 2HD1 LEU 18 2HD1 LEU 18 -4.720 7.271 2.083 148 3HD1 LEU 18 3HD1 LEU 18 -4.259 7.921 0.511 149 1HD2 LEU 18 1HD2 LEU 18 -1.927 5.395 0.296 150 2HD2 LEU 18 2HD2 LEU 18 -1.733 7.026 -0.356 151 3HD2 LEU 18 3HD2 LEU 18 -3.320 6.256 -0.361 152 H THR 19 H THR 19 1.334 7.620 0.948 153 HA THR 19 HA THR 19 1.117 5.440 -0.785 154 HB THR 19 HB THR 19 3.399 7.390 -0.400 155 HG1 THR 19 HG1 THR 19 1.877 8.616 -1.202 156 1HG2 THR 19 1HG2 THR 19 2.900 5.428 -2.618 157 2HG2 THR 19 2HG2 THR 19 4.345 5.607 -1.622 158 3HG2 THR 19 3HG2 THR 19 3.923 6.853 -2.795 159 H LEU 20 H LEU 20 3.114 5.997 2.060 160 HA LEU 20 HA LEU 20 4.902 3.825 1.692 161 1HB LEU 20 1HB LEU 20 5.135 5.771 3.311 162 2HB LEU 20 2HB LEU 20 3.984 4.943 4.339 163 HG LEU 20 HG LEU 20 5.637 2.960 4.245 164 1HD1 LEU 20 1HD1 LEU 20 7.021 3.794 2.430 165 2HD1 LEU 20 2HD1 LEU 20 7.973 3.616 3.904 166 3HD1 LEU 20 3HD1 LEU 20 7.442 5.216 3.385 167 1HD2 LEU 20 1HD2 LEU 20 6.911 3.877 6.116 168 2HD2 LEU 20 2HD2 LEU 20 5.203 4.296 6.241 169 3HD2 LEU 20 3HD2 LEU 20 6.369 5.502 5.694 170 H HIS 21 H HIS 21 1.709 4.141 3.106 171 HA HIS 21 HA HIS 21 1.503 1.652 4.369 172 1HB HIS 21 1HB HIS 21 -0.500 2.486 4.929 173 2HB HIS 21 2HB HIS 21 -0.108 3.910 4.006 174 HD1 HIS 21 HD1 HIS 21 -2.205 4.500 2.784 175 HD2 HIS 21 HD2 HIS 21 -1.413 0.448 2.606 176 HE1 HIS 21 HE1 HIS 21 -4.009 3.470 1.360 177 H ILE 22 H ILE 22 0.484 2.717 1.163 178 HA ILE 22 HA ILE 22 -0.754 0.425 0.297 179 HB ILE 22 HB ILE 22 0.829 2.165 -1.587 180 1HG1 ILE 22 1HG1 ILE 22 -2.017 2.758 -0.975 181 2HG1 ILE 22 2HG1 ILE 22 -0.848 3.254 0.225 182 1HG2 ILE 22 1HG2 ILE 22 -0.440 -0.007 -2.269 183 2HG2 ILE 22 2HG2 ILE 22 -0.661 1.457 -3.225 184 3HG2 ILE 22 3HG2 ILE 22 -1.884 0.983 -2.041 185 1HD1 ILE 22 1HD1 ILE 22 -1.419 4.336 -2.418 186 2HD1 ILE 22 2HD1 ILE 22 0.296 4.174 -2.045 187 3HD1 ILE 22 3HD1 ILE 22 -0.752 5.114 -0.985 188 H LEU 23 H LEU 23 2.615 0.782 0.850 189 HA LEU 23 HA LEU 23 3.634 -1.099 -0.968 190 1HB LEU 23 1HB LEU 23 5.247 0.180 0.097 191 2HB LEU 23 2HB LEU 23 4.523 -0.055 1.668 192 HG LEU 23 HG LEU 23 5.288 -2.468 1.540 193 1HD1 LEU 23 1HD1 LEU 23 6.820 -1.357 -0.803 194 2HD1 LEU 23 2HD1 LEU 23 5.656 -2.683 -0.817 195 3HD1 LEU 23 3HD1 LEU 23 7.201 -2.876 0.009 196 1HD2 LEU 23 1HD2 LEU 23 7.624 -1.893 2.130 197 2HD2 LEU 23 2HD2 LEU 23 6.429 -0.884 2.946 198 3HD2 LEU 23 3HD2 LEU 23 7.326 -0.249 1.567 199 H LEU 24 H LEU 24 1.791 -1.439 1.962 200 HA LEU 24 HA LEU 24 2.390 -4.065 2.716 201 1HB LEU 24 1HB LEU 24 -0.341 -2.790 2.881 202 2HB LEU 24 2HB LEU 24 0.286 -4.080 3.885 203 HG LEU 24 HG LEU 24 1.774 -1.520 3.979 204 1HD1 LEU 24 1HD1 LEU 24 0.218 -0.339 5.271 205 2HD1 LEU 24 2HD1 LEU 24 -0.808 -1.755 5.496 206 3HD1 LEU 24 3HD1 LEU 24 -0.732 -0.963 3.921 207 1HD2 LEU 24 1HD2 LEU 24 0.819 -3.463 6.078 208 2HD2 LEU 24 2HD2 LEU 24 1.900 -2.096 6.347 209 3HD2 LEU 24 3HD2 LEU 24 2.418 -3.444 5.336 210 H HIS 25 H HIS 25 0.052 -2.805 0.368 211 HA HIS 25 HA HIS 25 -1.318 -5.133 -0.258 212 1HB HIS 25 1HB HIS 25 -0.590 -2.787 -2.020 213 2HB HIS 25 2HB HIS 25 -1.712 -4.055 -2.499 214 HD1 HIS 25 HD1 HIS 25 -3.770 -4.337 -0.555 215 HD2 HIS 25 HD2 HIS 25 -1.847 -0.677 -0.957 216 HE1 HIS 25 HE1 HIS 25 -5.302 -2.607 0.476 217 H GLU 26 H GLU 26 1.854 -4.060 -1.356 218 HA GLU 26 HA GLU 26 2.165 -5.948 -3.442 219 1HB GLU 26 1HB GLU 26 4.213 -4.461 -1.790 220 2HB GLU 26 2HB GLU 26 4.614 -5.453 -3.185 221 1HG GLU 26 1HG GLU 26 3.447 -4.004 -4.658 222 2HG GLU 26 2HG GLU 26 2.726 -3.118 -3.315 223 H ASN 27 H ASN 27 3.432 -5.931 -0.098 224 HA ASN 27 HA ASN 27 3.363 -8.862 -0.126 225 1HB ASN 27 1HB ASN 27 5.716 -7.758 -0.585 226 2HB ASN 27 2HB ASN 27 5.707 -7.520 1.160 227 1HD2 ASN 27 1HD2 ASN 27 5.625 -9.359 2.524 228 2HD2 ASN 27 2HD2 ASN 27 6.135 -10.907 1.954 229 H LYS 28 H LYS 28 2.743 -9.784 1.767 230 HA LYS 28 HA LYS 28 1.645 -8.054 3.790 231 1HB LYS 28 1HB LYS 28 1.743 -11.056 3.492 232 2HB LYS 28 2HB LYS 28 1.006 -10.258 4.873 233 1HG LYS 28 1HG LYS 28 -0.879 -10.284 3.698 234 2HG LYS 28 2HG LYS 28 -0.166 -8.993 2.729 235 1HD LYS 28 1HD LYS 28 -0.678 -10.459 1.058 236 2HD LYS 28 2HD LYS 28 0.929 -11.057 1.470 237 1HE LYS 28 1HE LYS 28 -0.263 -13.017 1.470 238 2HE LYS 28 2HE LYS 28 -0.402 -12.553 3.165 239 1HZ LYS 28 1HZ LYS 28 -2.576 -11.627 2.710 240 2HZ LYS 28 2HZ LYS 28 -2.528 -13.248 2.229 241 3HZ LYS 28 3HZ LYS 28 -2.440 -12.021 1.070 242 H LYS 29 H LYS 29 2.293 -7.805 5.897 243 HA LYS 29 HA LYS 29 4.630 -9.244 6.868 244 1HB LYS 29 1HB LYS 29 5.677 -7.037 7.590 245 2HB LYS 29 2HB LYS 29 5.783 -7.441 5.883 246 1HG LYS 29 1HG LYS 29 3.423 -5.859 6.585 247 2HG LYS 29 2HG LYS 29 4.960 -5.048 6.890 248 1HD LYS 29 1HD LYS 29 4.467 -6.436 4.283 249 2HD LYS 29 2HD LYS 29 3.837 -4.812 4.563 250 1HE LYS 29 1HE LYS 29 6.302 -4.340 5.342 251 2HE LYS 29 2HE LYS 29 6.660 -5.750 4.345 252 1HZ LYS 29 1HZ LYS 29 6.883 -3.789 3.025 253 2HZ LYS 29 2HZ LYS 29 5.345 -3.239 3.463 254 3HZ LYS 29 3HZ LYS 29 5.504 -4.616 2.496 Start of MODEL 15 1 H TYR 1 H TYR 1 -7.182 14.173 6.862 2 HA TYR 1 HA TYR 1 -7.082 11.848 5.891 3 1HB TYR 1 1HB TYR 1 -10.068 12.354 5.834 4 2HB TYR 1 2HB TYR 1 -9.221 10.961 5.173 5 HD1 TYR 1 HD1 TYR 1 -11.414 11.634 7.565 6 HD2 TYR 1 HD2 TYR 1 -7.447 10.118 7.295 7 HE1 TYR 1 HE1 TYR 1 -11.729 10.446 9.693 8 HE2 TYR 1 HE2 TYR 1 -7.752 8.925 9.423 9 HH TYR 1 HH TYR 1 -10.347 8.096 10.711 10 H LYS 2 H LYS 2 -5.937 13.027 4.404 11 HA LYS 2 HA LYS 2 -7.357 14.949 2.725 12 1HB LYS 2 1HB LYS 2 -5.105 15.460 3.756 13 2HB LYS 2 2HB LYS 2 -4.415 14.271 2.660 14 1HG LYS 2 1HG LYS 2 -4.079 16.406 1.691 15 2HG LYS 2 2HG LYS 2 -5.349 15.609 0.760 16 1HD LYS 2 1HD LYS 2 -6.369 17.173 3.006 17 2HD LYS 2 2HD LYS 2 -5.480 18.142 1.828 18 1HE LYS 2 1HE LYS 2 -6.910 17.462 0.060 19 2HE LYS 2 2HE LYS 2 -7.651 16.208 1.053 20 1HZ LYS 2 1HZ LYS 2 -7.898 19.134 1.503 21 2HZ LYS 2 2HZ LYS 2 -8.618 17.927 2.445 22 3HZ LYS 2 3HZ LYS 2 -9.089 18.135 0.834 23 H PHE 3 H PHE 3 -5.028 12.288 2.137 24 HA PHE 3 HA PHE 3 -6.084 11.973 -0.555 25 1HB PHE 3 1HB PHE 3 -3.632 11.117 0.899 26 2HB PHE 3 2HB PHE 3 -4.174 10.120 -0.435 27 HD1 PHE 3 HD1 PHE 3 -4.540 11.258 -2.697 28 HD2 PHE 3 HD2 PHE 3 -2.400 13.046 0.519 29 HE1 PHE 3 HE1 PHE 3 -3.454 12.799 -4.279 30 HE2 PHE 3 HE2 PHE 3 -1.312 14.589 -1.057 31 HZ PHE 3 HZ PHE 3 -1.838 14.467 -3.460 32 H ALA 4 H ALA 4 -6.087 9.562 -1.307 33 HA ALA 4 HA ALA 4 -7.168 7.708 0.646 34 1HB ALA 4 1HB ALA 4 -9.168 7.329 -0.979 35 2HB ALA 4 2HB ALA 4 -8.832 8.984 -1.485 36 3HB ALA 4 3HB ALA 4 -9.234 8.641 0.197 37 H CYS 5 H CYS 5 -6.928 5.570 0.031 38 HA CYS 5 HA CYS 5 -5.103 5.061 -2.112 39 1HB CYS 5 1HB CYS 5 -5.367 3.808 0.162 40 2HB CYS 5 2HB CYS 5 -6.595 2.886 -0.688 41 HG CYS 5 HG CYS 5 -4.741 1.495 -1.451 42 HA PRO 6 HA PRO 6 -8.110 4.246 -5.281 43 1HB PRO 6 1HB PRO 6 -6.486 3.138 -7.121 44 2HB PRO 6 2HB PRO 6 -6.418 4.860 -6.727 45 1HG PRO 6 1HG PRO 6 -4.645 2.633 -5.801 46 2HG PRO 6 2HG PRO 6 -4.206 4.269 -6.324 47 1HD PRO 6 1HD PRO 6 -4.401 3.515 -3.703 48 2HD PRO 6 2HD PRO 6 -4.658 5.178 -4.271 49 H GLU 7 H GLU 7 -6.211 1.767 -3.740 50 HA GLU 7 HA GLU 7 -7.807 -0.368 -4.952 51 1HB GLU 7 1HB GLU 7 -5.164 -0.302 -4.547 52 2HB GLU 7 2HB GLU 7 -5.650 -0.963 -2.992 53 1HG GLU 7 1HG GLU 7 -7.069 -2.562 -4.595 54 2HG GLU 7 2HG GLU 7 -5.740 -2.170 -5.685 55 H CYS 8 H CYS 8 -6.812 0.810 -1.725 56 HA CYS 8 HA CYS 8 -9.118 -0.630 -0.581 57 1HB CYS 8 1HB CYS 8 -7.948 -0.754 1.492 58 2HB CYS 8 2HB CYS 8 -6.834 -1.264 0.239 59 HG CYS 8 HG CYS 8 -6.525 1.665 1.048 60 HA PRO 9 HA PRO 9 -10.761 3.214 0.837 61 1HB PRO 9 1HB PRO 9 -12.116 2.492 3.025 62 2HB PRO 9 2HB PRO 9 -12.525 1.844 1.433 63 1HG PRO 9 1HG PRO 9 -11.090 0.552 3.694 64 2HG PRO 9 2HG PRO 9 -12.166 -0.167 2.485 65 1HD PRO 9 1HD PRO 9 -9.338 -0.176 2.459 66 2HD PRO 9 2HD PRO 9 -10.409 -0.675 1.140 67 H LYS 10 H LYS 10 -7.991 3.086 1.648 68 HA LYS 10 HA LYS 10 -7.966 3.983 4.418 69 1HB LYS 10 1HB LYS 10 -5.718 3.574 2.438 70 2HB LYS 10 2HB LYS 10 -5.491 4.158 4.062 71 1HG LYS 10 1HG LYS 10 -6.918 1.582 3.646 72 2HG LYS 10 2HG LYS 10 -5.159 1.640 3.515 73 1HD LYS 10 1HD LYS 10 -4.967 2.494 5.756 74 2HD LYS 10 2HD LYS 10 -6.720 2.645 5.893 75 1HE LYS 10 1HE LYS 10 -5.437 -0.003 5.322 76 2HE LYS 10 2HE LYS 10 -5.557 0.607 6.970 77 1HZ LYS 10 1HZ LYS 10 -7.423 -0.813 6.445 78 2HZ LYS 10 2HZ LYS 10 -7.832 0.148 5.113 79 3HZ LYS 10 3HZ LYS 10 -7.962 0.773 6.680 80 H ARG 11 H ARG 11 -6.838 5.995 4.974 81 HA ARG 11 HA ARG 11 -6.776 8.073 2.944 82 1HB ARG 11 1HB ARG 11 -8.226 9.575 4.383 83 2HB ARG 11 2HB ARG 11 -9.063 8.287 3.531 84 1HG ARG 11 1HG ARG 11 -8.160 7.809 6.329 85 2HG ARG 11 2HG ARG 11 -9.583 8.810 6.041 86 1HD ARG 11 1HD ARG 11 -10.255 6.800 4.472 87 2HD ARG 11 2HD ARG 11 -9.159 5.910 5.529 88 HE ARG 11 HE ARG 11 -11.226 7.511 6.814 89 1HH1 ARG 11 1HH1 ARG 11 -10.166 4.334 5.782 90 2HH1 ARG 11 2HH1 ARG 11 -11.254 3.497 6.835 91 1HH2 ARG 11 1HH2 ARG 11 -12.658 6.400 8.192 92 2HH2 ARG 11 2HH2 ARG 11 -12.670 4.670 8.202 93 H PHE 12 H PHE 12 -5.149 9.471 3.318 94 HA PHE 12 HA PHE 12 -4.126 9.738 6.060 95 1HB PHE 12 1HB PHE 12 -2.304 9.391 3.712 96 2HB PHE 12 2HB PHE 12 -1.870 9.365 5.406 97 HD1 PHE 12 HD1 PHE 12 -4.147 7.553 3.071 98 HD2 PHE 12 HD2 PHE 12 -1.409 7.298 6.317 99 HE1 PHE 12 HE1 PHE 12 -4.365 5.118 3.050 100 HE2 PHE 12 HE2 PHE 12 -1.627 4.844 6.302 101 HZ PHE 12 HZ PHE 12 -3.108 3.753 4.654 102 H MET 13 H MET 13 -3.168 11.687 6.574 103 HA MET 13 HA MET 13 -3.937 13.927 4.956 104 1HB MET 13 1HB MET 13 -2.463 13.652 7.567 105 2HB MET 13 2HB MET 13 -2.649 15.211 6.776 106 1HG MET 13 1HG MET 13 -5.168 14.623 6.753 107 2HG MET 13 2HG MET 13 -4.731 13.452 7.996 108 1HE MET 13 1HE MET 13 -6.089 17.461 8.887 109 2HE MET 13 2HE MET 13 -6.843 15.936 8.423 110 3HE MET 13 3HE MET 13 -5.907 16.853 7.242 111 H ARG 14 H ARG 14 -1.042 12.047 5.360 112 HA ARG 14 HA ARG 14 0.575 14.047 3.953 113 1HB ARG 14 1HB ARG 14 1.335 11.486 5.369 114 2HB ARG 14 2HB ARG 14 2.476 12.506 4.506 115 1HG ARG 14 1HG ARG 14 2.807 13.408 6.531 116 2HG ARG 14 2HG ARG 14 1.352 14.328 6.146 117 1HD ARG 14 1HD ARG 14 0.306 13.426 7.883 118 2HD ARG 14 2HD ARG 14 0.556 11.813 7.209 119 HE ARG 14 HE ARG 14 2.917 12.662 8.479 120 1HH1 ARG 14 1HH1 ARG 14 -0.341 11.656 9.273 121 2HH1 ARG 14 2HH1 ARG 14 0.097 11.039 10.829 122 1HH2 ARG 14 1HH2 ARG 14 3.489 11.848 10.528 123 2HH2 ARG 14 2HH2 ARG 14 2.273 11.148 11.543 124 H SER 15 H SER 15 1.930 13.358 2.158 125 HA SER 15 HA SER 15 0.488 11.534 0.401 126 1HB SER 15 1HB SER 15 0.901 13.227 -0.969 127 2HB SER 15 2HB SER 15 2.199 13.871 0.031 128 HG SER 15 HG SER 15 3.432 13.138 -1.512 129 H ASP 16 H ASP 16 3.779 12.012 1.666 130 HA ASP 16 HA ASP 16 4.881 9.712 0.419 131 1HB ASP 16 1HB ASP 16 6.089 11.776 1.423 132 2HB ASP 16 2HB ASP 16 5.983 10.890 2.938 133 H HIS 17 H HIS 17 3.777 10.322 3.754 134 HA HIS 17 HA HIS 17 4.302 7.769 4.781 135 1HB HIS 17 1HB HIS 17 2.398 9.957 5.546 136 2HB HIS 17 2HB HIS 17 2.308 8.398 6.351 137 HD1 HIS 17 HD1 HIS 17 2.955 9.859 8.500 138 HD2 HIS 17 HD2 HIS 17 5.918 9.425 5.621 139 HE1 HIS 17 HE1 HIS 17 5.095 10.504 9.639 140 HE2 HIS 17 HE2 HIS 17 6.891 10.139 7.910 141 H LEU 18 H LEU 18 1.406 9.071 3.188 142 HA LEU 18 HA LEU 18 -0.290 6.885 3.497 143 1HB LEU 18 1HB LEU 18 -0.927 9.104 2.619 144 2HB LEU 18 2HB LEU 18 -0.089 8.742 1.132 145 HG LEU 18 HG LEU 18 -2.278 6.943 2.071 146 1HD1 LEU 18 1HD1 LEU 18 -3.808 8.353 0.651 147 2HD1 LEU 18 2HD1 LEU 18 -2.568 9.605 0.728 148 3HD1 LEU 18 3HD1 LEU 18 -3.343 9.043 2.206 149 1HD2 LEU 18 1HD2 LEU 18 -1.641 5.937 0.198 150 2HD2 LEU 18 2HD2 LEU 18 -0.684 7.327 -0.322 151 3HD2 LEU 18 3HD2 LEU 18 -2.418 7.279 -0.650 152 H THR 19 H THR 19 2.027 7.623 0.901 153 HA THR 19 HA THR 19 1.486 5.352 -0.638 154 HB THR 19 HB THR 19 4.102 6.867 -0.454 155 HG1 THR 19 HG1 THR 19 2.860 8.412 -1.172 156 1HG2 THR 19 1HG2 THR 19 4.301 6.224 -2.861 157 2HG2 THR 19 2HG2 THR 19 2.979 5.088 -2.595 158 3HG2 THR 19 3HG2 THR 19 4.493 4.903 -1.711 159 H LEU 20 H LEU 20 3.561 5.874 2.150 160 HA LEU 20 HA LEU 20 5.117 3.544 2.014 161 1HB LEU 20 1HB LEU 20 5.312 5.557 3.609 162 2HB LEU 20 2HB LEU 20 4.115 4.737 4.591 163 HG LEU 20 HG LEU 20 5.838 2.727 4.388 164 1HD1 LEU 20 1HD1 LEU 20 8.137 3.508 4.411 165 2HD1 LEU 20 2HD1 LEU 20 7.596 5.162 4.128 166 3HD1 LEU 20 3HD1 LEU 20 7.354 3.932 2.889 167 1HD2 LEU 20 1HD2 LEU 20 6.835 3.480 6.509 168 2HD2 LEU 20 2HD2 LEU 20 5.085 3.692 6.477 169 3HD2 LEU 20 3HD2 LEU 20 6.146 5.082 6.248 170 H HIS 21 H HIS 21 1.831 4.120 3.089 171 HA HIS 21 HA HIS 21 1.341 1.692 4.417 172 1HB HIS 21 1HB HIS 21 -0.634 2.699 4.750 173 2HB HIS 21 2HB HIS 21 -0.113 4.021 3.749 174 HD1 HIS 21 HD1 HIS 21 -2.061 4.576 2.287 175 HD2 HIS 21 HD2 HIS 21 -1.451 0.490 2.571 176 HE1 HIS 21 HE1 HIS 21 -3.813 3.481 0.841 177 H ILE 22 H ILE 22 0.813 2.705 1.090 178 HA ILE 22 HA ILE 22 -0.389 0.352 0.188 179 HB ILE 22 HB ILE 22 1.204 2.169 -1.604 180 1HG1 ILE 22 1HG1 ILE 22 -1.673 2.701 -1.126 181 2HG1 ILE 22 2HG1 ILE 22 -0.591 3.167 0.166 182 1HG2 ILE 22 1HG2 ILE 22 -1.438 1.195 -2.403 183 2HG2 ILE 22 2HG2 ILE 22 -0.249 -0.084 -2.153 184 3HG2 ILE 22 3HG2 ILE 22 0.082 1.213 -3.301 185 1HD1 ILE 22 1HD1 ILE 22 -0.419 5.071 -0.951 186 2HD1 ILE 22 2HD1 ILE 22 -1.034 4.361 -2.445 187 3HD1 ILE 22 3HD1 ILE 22 0.669 4.181 -2.016 188 H LEU 23 H LEU 23 2.738 0.551 1.277 189 HA LEU 23 HA LEU 23 4.049 -1.082 -0.664 190 1HB LEU 23 1HB LEU 23 4.710 0.153 1.885 191 2HB LEU 23 2HB LEU 23 5.358 -1.471 1.766 192 HG LEU 23 HG LEU 23 5.810 0.326 -0.553 193 1HD1 LEU 23 1HD1 LEU 23 7.761 1.348 0.533 194 2HD1 LEU 23 2HD1 LEU 23 7.273 0.627 2.066 195 3HD1 LEU 23 3HD1 LEU 23 6.247 1.836 1.293 196 1HD2 LEU 23 1HD2 LEU 23 6.589 -2.027 -0.457 197 2HD2 LEU 23 2HD2 LEU 23 7.611 -1.597 0.915 198 3HD2 LEU 23 3HD2 LEU 23 7.899 -0.863 -0.663 199 H LEU 24 H LEU 24 2.131 -1.673 2.237 200 HA LEU 24 HA LEU 24 2.756 -4.469 2.371 201 1HB LEU 24 1HB LEU 24 0.570 -4.467 3.812 202 2HB LEU 24 2HB LEU 24 2.080 -3.841 4.433 203 HG LEU 24 HG LEU 24 1.259 -1.540 3.799 204 1HD1 LEU 24 1HD1 LEU 24 -1.341 -3.035 3.463 205 2HD1 LEU 24 2HD1 LEU 24 -0.474 -2.146 2.212 206 3HD1 LEU 24 3HD1 LEU 24 -1.187 -1.280 3.572 207 1HD2 LEU 24 1HD2 LEU 24 1.094 -2.883 6.057 208 2HD2 LEU 24 2HD2 LEU 24 -0.634 -2.703 5.754 209 3HD2 LEU 24 3HD2 LEU 24 0.393 -1.274 5.879 210 H HIS 25 H HIS 25 0.633 -2.621 0.420 211 HA HIS 25 HA HIS 25 -1.518 -4.314 0.014 212 1HB HIS 25 1HB HIS 25 -0.257 -2.128 -1.462 213 2HB HIS 25 2HB HIS 25 -1.055 -3.296 -2.509 214 HD1 HIS 25 HD1 HIS 25 -3.636 -3.921 -1.326 215 HD2 HIS 25 HD2 HIS 25 -1.949 -0.155 -0.849 216 HE1 HIS 25 HE1 HIS 25 -5.537 -2.357 -0.753 217 H GLU 26 H GLU 26 1.736 -4.496 -1.357 218 HA GLU 26 HA GLU 26 1.234 -6.473 -3.294 219 1HB GLU 26 1HB GLU 26 3.320 -5.078 -3.098 220 2HB GLU 26 2HB GLU 26 3.805 -6.097 -1.749 221 1HG GLU 26 1HG GLU 26 4.942 -6.880 -3.669 222 2HG GLU 26 2HG GLU 26 3.685 -8.058 -3.294 223 H ASN 27 H ASN 27 2.301 -6.750 0.092 224 HA ASN 27 HA ASN 27 1.089 -9.377 0.272 225 1HB ASN 27 1HB ASN 27 3.882 -9.123 -0.209 226 2HB ASN 27 2HB ASN 27 3.681 -9.653 1.458 227 1HD2 ASN 27 1HD2 ASN 27 2.970 -10.408 -1.891 228 2HD2 ASN 27 2HD2 ASN 27 2.692 -12.096 -1.646 229 H LYS 28 H LYS 28 -0.294 -8.505 1.798 230 HA LYS 28 HA LYS 28 0.867 -7.311 4.203 231 1HB LYS 28 1HB LYS 28 -1.152 -6.345 2.916 232 2HB LYS 28 2HB LYS 28 -2.075 -7.638 3.668 233 1HG LYS 28 1HG LYS 28 -1.338 -6.793 5.887 234 2HG LYS 28 2HG LYS 28 -0.578 -5.430 5.063 235 1HD LYS 28 1HD LYS 28 -2.610 -4.514 4.431 236 2HD LYS 28 2HD LYS 28 -3.462 -6.053 4.572 237 1HE LYS 28 1HE LYS 28 -3.649 -5.893 6.867 238 2HE LYS 28 2HE LYS 28 -2.266 -4.809 7.007 239 1HZ LYS 28 1HZ LYS 28 -4.907 -4.075 5.860 240 2HZ LYS 28 2HZ LYS 28 -3.584 -3.037 6.052 241 3HZ LYS 28 3HZ LYS 28 -4.367 -3.669 7.411 242 H LYS 29 H LYS 29 0.437 -8.087 6.292 243 HA LYS 29 HA LYS 29 0.293 -10.943 6.488 244 1HB LYS 29 1HB LYS 29 1.703 -9.420 7.944 245 2HB LYS 29 2HB LYS 29 0.219 -8.967 8.768 246 1HG LYS 29 1HG LYS 29 -0.023 -11.585 9.025 247 2HG LYS 29 2HG LYS 29 1.731 -11.520 8.843 248 1HD LYS 29 1HD LYS 29 0.348 -9.696 10.772 249 2HD LYS 29 2HD LYS 29 0.677 -11.372 11.216 250 1HE LYS 29 1HE LYS 29 3.001 -11.078 11.033 251 2HE LYS 29 2HE LYS 29 2.823 -9.569 10.137 252 1HZ LYS 29 1HZ LYS 29 2.096 -9.965 12.991 253 2HZ LYS 29 2HZ LYS 29 1.973 -8.515 12.128 254 3HZ LYS 29 3HZ LYS 29 3.494 -9.190 12.434 Start of MODEL 16 1 H TYR 1 H TYR 1 -10.060 14.644 5.612 2 HA TYR 1 HA TYR 1 -8.341 12.347 4.988 3 1HB TYR 1 1HB TYR 1 -10.997 13.247 3.847 4 2HB TYR 1 2HB TYR 1 -10.200 11.700 3.589 5 HD1 TYR 1 HD1 TYR 1 -12.611 13.447 5.504 6 HD2 TYR 1 HD2 TYR 1 -9.821 10.244 5.719 7 HE1 TYR 1 HE1 TYR 1 -13.848 12.507 7.408 8 HE2 TYR 1 HE2 TYR 1 -11.049 9.293 7.624 9 HH TYR 1 HH TYR 1 -12.882 10.694 9.516 10 H LYS 2 H LYS 2 -6.619 13.091 3.863 11 HA LYS 2 HA LYS 2 -6.998 15.198 1.875 12 1HB LYS 2 1HB LYS 2 -4.633 14.013 3.260 13 2HB LYS 2 2HB LYS 2 -4.393 14.779 1.696 14 1HG LYS 2 1HG LYS 2 -5.939 16.302 3.704 15 2HG LYS 2 2HG LYS 2 -4.212 16.096 4.004 16 1HD LYS 2 1HD LYS 2 -3.609 17.273 2.104 17 2HD LYS 2 2HD LYS 2 -5.157 16.982 1.309 18 1HE LYS 2 1HE LYS 2 -5.176 18.563 3.820 19 2HE LYS 2 2HE LYS 2 -4.519 19.335 2.378 20 1HZ LYS 2 1HZ LYS 2 -6.577 18.928 1.227 21 2HZ LYS 2 2HZ LYS 2 -6.905 19.743 2.672 22 3HZ LYS 2 3HZ LYS 2 -7.207 18.084 2.551 23 H PHE 3 H PHE 3 -5.341 12.016 1.972 24 HA PHE 3 HA PHE 3 -5.907 11.748 -0.901 25 1HB PHE 3 1HB PHE 3 -3.611 11.016 0.807 26 2HB PHE 3 2HB PHE 3 -4.068 9.828 -0.398 27 HD1 PHE 3 HD1 PHE 3 -4.252 10.609 -2.825 28 HD2 PHE 3 HD2 PHE 3 -2.324 12.860 0.228 29 HE1 PHE 3 HE1 PHE 3 -3.031 11.883 -4.541 30 HE2 PHE 3 HE2 PHE 3 -1.099 14.138 -1.481 31 HZ PHE 3 HZ PHE 3 -1.453 13.650 -3.869 32 H ALA 4 H ALA 4 -5.904 9.295 -1.542 33 HA ALA 4 HA ALA 4 -7.222 7.572 0.384 34 1HB ALA 4 1HB ALA 4 -9.203 7.201 -0.988 35 2HB ALA 4 2HB ALA 4 -8.642 8.409 -2.142 36 3HB ALA 4 3HB ALA 4 -9.081 8.892 -0.503 37 H CYS 5 H CYS 5 -6.888 5.429 -0.031 38 HA CYS 5 HA CYS 5 -4.984 4.743 -2.059 39 1HB CYS 5 1HB CYS 5 -5.280 3.691 0.294 40 2HB CYS 5 2HB CYS 5 -6.537 2.725 -0.461 41 HG CYS 5 HG CYS 5 -4.829 1.321 -1.537 42 HA PRO 6 HA PRO 6 -7.878 3.688 -5.262 43 1HB PRO 6 1HB PRO 6 -6.218 2.312 -6.891 44 2HB PRO 6 2HB PRO 6 -6.127 4.068 -6.711 45 1HG PRO 6 1HG PRO 6 -4.447 1.945 -5.433 46 2HG PRO 6 2HG PRO 6 -3.946 3.486 -6.153 47 1HD PRO 6 1HD PRO 6 -4.232 3.124 -3.473 48 2HD PRO 6 2HD PRO 6 -4.496 4.688 -4.273 49 H GLU 7 H GLU 7 -6.169 1.332 -3.361 50 HA GLU 7 HA GLU 7 -7.802 -0.860 -4.420 51 1HB GLU 7 1HB GLU 7 -5.322 -1.140 -4.227 52 2HB GLU 7 2HB GLU 7 -5.486 -0.998 -2.483 53 1HG GLU 7 1HG GLU 7 -5.303 -3.317 -3.137 54 2HG GLU 7 2HG GLU 7 -6.892 -2.993 -2.447 55 H CYS 8 H CYS 8 -6.884 0.642 -1.315 56 HA CYS 8 HA CYS 8 -9.275 -0.593 -0.105 57 1HB CYS 8 1HB CYS 8 -8.151 -0.553 2.017 58 2HB CYS 8 2HB CYS 8 -7.077 -1.293 0.842 59 HG CYS 8 HG CYS 8 -6.619 1.686 1.519 60 HA PRO 9 HA PRO 9 -10.726 3.450 0.954 61 1HB PRO 9 1HB PRO 9 -12.254 2.950 3.081 62 2HB PRO 9 2HB PRO 9 -12.597 2.201 1.518 63 1HG PRO 9 1HG PRO 9 -11.358 1.022 3.954 64 2HG PRO 9 2HG PRO 9 -12.413 0.265 2.748 65 1HD PRO 9 1HD PRO 9 -9.591 0.108 2.868 66 2HD PRO 9 2HD PRO 9 -10.626 -0.434 1.536 67 H LYS 10 H LYS 10 -8.033 3.296 1.889 68 HA LYS 10 HA LYS 10 -8.125 4.338 4.616 69 1HB LYS 10 1HB LYS 10 -5.722 3.741 2.885 70 2HB LYS 10 2HB LYS 10 -5.683 4.213 4.555 71 1HG LYS 10 1HG LYS 10 -7.204 1.776 3.782 72 2HG LYS 10 2HG LYS 10 -5.445 1.711 3.907 73 1HD LYS 10 1HD LYS 10 -7.156 2.816 6.117 74 2HD LYS 10 2HD LYS 10 -6.806 1.093 5.985 75 1HE LYS 10 1HE LYS 10 -4.925 1.482 7.110 76 2HE LYS 10 2HE LYS 10 -4.335 2.337 5.686 77 1HZ LYS 10 1HZ LYS 10 -5.369 4.374 6.607 78 2HZ LYS 10 2HZ LYS 10 -4.126 3.758 7.573 79 3HZ LYS 10 3HZ LYS 10 -5.740 3.519 8.020 80 H ARG 11 H ARG 11 -7.181 6.333 5.164 81 HA ARG 11 HA ARG 11 -6.739 8.243 2.990 82 1HB ARG 11 1HB ARG 11 -8.479 8.821 5.384 83 2HB ARG 11 2HB ARG 11 -8.123 9.911 4.062 84 1HG ARG 11 1HG ARG 11 -10.053 9.225 3.191 85 2HG ARG 11 2HG ARG 11 -9.186 7.750 2.760 86 1HD ARG 11 1HD ARG 11 -9.821 6.940 5.119 87 2HD ARG 11 2HD ARG 11 -10.988 8.261 5.103 88 HE ARG 11 HE ARG 11 -11.172 6.596 2.782 89 1HH1 ARG 11 1HH1 ARG 11 -12.142 6.883 6.134 90 2HH1 ARG 11 2HH1 ARG 11 -13.548 5.891 5.941 91 1HH2 ARG 11 1HH2 ARG 11 -13.024 5.286 2.535 92 2HH2 ARG 11 2HH2 ARG 11 -14.048 4.984 3.899 93 H PHE 12 H PHE 12 -5.135 9.685 3.372 94 HA PHE 12 HA PHE 12 -4.068 9.915 6.094 95 1HB PHE 12 1HB PHE 12 -2.310 9.424 3.717 96 2HB PHE 12 2HB PHE 12 -1.805 9.525 5.388 97 HD1 PHE 12 HD1 PHE 12 -4.253 7.567 3.356 98 HD2 PHE 12 HD2 PHE 12 -1.261 7.520 6.380 99 HE1 PHE 12 HE1 PHE 12 -4.485 5.141 3.533 100 HE2 PHE 12 HE2 PHE 12 -1.493 5.073 6.564 101 HZ PHE 12 HZ PHE 12 -3.107 3.883 5.124 102 H MET 13 H MET 13 -3.048 11.835 6.574 103 HA MET 13 HA MET 13 -3.764 14.080 4.941 104 1HB MET 13 1HB MET 13 -1.989 14.028 7.389 105 2HB MET 13 2HB MET 13 -2.768 15.440 6.689 106 1HG MET 13 1HG MET 13 -4.040 13.140 8.135 107 2HG MET 13 2HG MET 13 -4.038 14.846 8.576 108 1HE MET 13 1HE MET 13 -5.578 12.049 7.379 109 2HE MET 13 2HE MET 13 -6.305 12.358 5.803 110 3HE MET 13 3HE MET 13 -7.232 12.652 7.275 111 H ARG 14 H ARG 14 -0.912 12.131 5.380 112 HA ARG 14 HA ARG 14 0.730 14.029 3.866 113 1HB ARG 14 1HB ARG 14 1.433 11.535 5.419 114 2HB ARG 14 2HB ARG 14 2.596 12.444 4.464 115 1HG ARG 14 1HG ARG 14 2.469 14.310 5.884 116 2HG ARG 14 2HG ARG 14 0.994 13.724 6.655 117 1HD ARG 14 1HD ARG 14 2.589 13.224 8.245 118 2HD ARG 14 2HD ARG 14 2.477 11.706 7.353 119 HE ARG 14 HE ARG 14 4.604 12.050 6.523 120 1HH1 ARG 14 1HH1 ARG 14 3.536 14.921 8.223 121 2HH1 ARG 14 2HH1 ARG 14 5.111 15.635 8.254 122 1HH2 ARG 14 1HH2 ARG 14 6.675 13.000 6.566 123 2HH2 ARG 14 2HH2 ARG 14 6.893 14.547 7.314 124 H SER 15 H SER 15 2.044 13.229 2.087 125 HA SER 15 HA SER 15 0.545 11.345 0.441 126 1HB SER 15 1HB SER 15 1.120 12.616 -1.265 127 2HB SER 15 2HB SER 15 1.827 13.749 -0.118 128 HG SER 15 HG SER 15 3.791 13.038 -0.601 129 H ASP 16 H ASP 16 3.842 11.815 1.682 130 HA ASP 16 HA ASP 16 4.912 9.463 0.498 131 1HB ASP 16 1HB ASP 16 6.061 11.606 1.602 132 2HB ASP 16 2HB ASP 16 6.114 10.530 2.992 133 H HIS 17 H HIS 17 3.799 10.194 3.803 134 HA HIS 17 HA HIS 17 4.294 7.665 4.908 135 1HB HIS 17 1HB HIS 17 2.504 9.949 5.617 136 2HB HIS 17 2HB HIS 17 2.263 8.408 6.429 137 HD1 HIS 17 HD1 HIS 17 2.975 9.836 8.588 138 HD2 HIS 17 HD2 HIS 17 5.965 9.128 5.791 139 HE1 HIS 17 HE1 HIS 17 5.133 10.318 9.773 140 HE2 HIS 17 HE2 HIS 17 6.923 9.983 8.035 141 H LEU 18 H LEU 18 1.443 8.950 3.232 142 HA LEU 18 HA LEU 18 -0.288 6.792 3.637 143 1HB LEU 18 1HB LEU 18 -0.858 9.026 2.665 144 2HB LEU 18 2HB LEU 18 -0.115 8.513 1.170 145 HG LEU 18 HG LEU 18 -2.314 6.879 2.356 146 1HD1 LEU 18 1HD1 LEU 18 -3.454 8.874 2.382 147 2HD1 LEU 18 2HD1 LEU 18 -3.775 8.306 0.744 148 3HD1 LEU 18 3HD1 LEU 18 -2.538 9.532 1.029 149 1HD2 LEU 18 1HD2 LEU 18 -0.862 7.060 -0.161 150 2HD2 LEU 18 2HD2 LEU 18 -2.614 7.000 -0.358 151 3HD2 LEU 18 3HD2 LEU 18 -1.781 5.721 0.532 152 H THR 19 H THR 19 1.997 7.446 0.987 153 HA THR 19 HA THR 19 1.453 5.123 -0.470 154 HB THR 19 HB THR 19 4.063 6.655 -0.339 155 HG1 THR 19 HG1 THR 19 1.712 7.049 -1.860 156 1HG2 THR 19 1HG2 THR 19 4.290 5.917 -2.713 157 2HG2 THR 19 2HG2 THR 19 2.967 4.788 -2.422 158 3HG2 THR 19 3HG2 THR 19 4.470 4.637 -1.513 159 H LEU 20 H LEU 20 3.499 5.719 2.316 160 HA LEU 20 HA LEU 20 5.066 3.385 2.245 161 1HB LEU 20 1HB LEU 20 5.245 5.457 3.779 162 2HB LEU 20 2HB LEU 20 4.069 4.643 4.791 163 HG LEU 20 HG LEU 20 6.055 2.728 4.324 164 1HD1 LEU 20 1HD1 LEU 20 8.115 3.810 4.968 165 2HD1 LEU 20 2HD1 LEU 20 7.309 5.377 5.032 166 3HD1 LEU 20 3HD1 LEU 20 7.496 4.544 3.489 167 1HD2 LEU 20 1HD2 LEU 20 6.523 3.047 6.721 168 2HD2 LEU 20 2HD2 LEU 20 4.796 2.978 6.376 169 3HD2 LEU 20 3HD2 LEU 20 5.570 4.530 6.694 170 H HIS 21 H HIS 21 1.790 4.016 3.336 171 HA HIS 21 HA HIS 21 1.318 1.589 4.693 172 1HB HIS 21 1HB HIS 21 -0.632 2.622 5.126 173 2HB HIS 21 2HB HIS 21 -0.107 3.963 4.148 174 HD1 HIS 21 HD1 HIS 21 -2.069 4.622 2.742 175 HD2 HIS 21 HD2 HIS 21 -1.605 0.515 2.923 176 HE1 HIS 21 HE1 HIS 21 -3.915 3.620 1.336 177 H ILE 22 H ILE 22 0.531 2.661 1.433 178 HA ILE 22 HA ILE 22 -0.755 0.398 0.536 179 HB ILE 22 HB ILE 22 0.924 2.129 -1.267 180 1HG1 ILE 22 1HG1 ILE 22 -1.933 2.754 -0.767 181 2HG1 ILE 22 2HG1 ILE 22 -0.816 3.200 0.500 182 1HG2 ILE 22 1HG2 ILE 22 -1.779 1.104 -1.945 183 2HG2 ILE 22 2HG2 ILE 22 -0.441 -0.047 -1.953 184 3HG2 ILE 22 3HG2 ILE 22 -0.383 1.379 -2.988 185 1HD1 ILE 22 1HD1 ILE 22 -1.365 4.481 -1.991 186 2HD1 ILE 22 2HD1 ILE 22 0.349 4.087 -1.865 187 3HD1 ILE 22 3HD1 ILE 22 -0.431 5.053 -0.613 188 H LEU 23 H LEU 23 2.549 0.593 1.322 189 HA LEU 23 HA LEU 23 3.724 -1.138 -0.520 190 1HB LEU 23 1HB LEU 23 4.331 -0.161 2.157 191 2HB LEU 23 2HB LEU 23 4.875 -1.809 1.924 192 HG LEU 23 HG LEU 23 6.646 -0.198 1.427 193 1HD1 LEU 23 1HD1 LEU 23 6.501 -2.367 0.220 194 2HD1 LEU 23 2HD1 LEU 23 7.344 -1.103 -0.676 195 3HD1 LEU 23 3HD1 LEU 23 5.685 -1.528 -1.101 196 1HD2 LEU 23 1HD2 LEU 23 5.147 1.637 0.681 197 2HD2 LEU 23 2HD2 LEU 23 4.886 0.762 -0.827 198 3HD2 LEU 23 3HD2 LEU 23 6.499 1.342 -0.412 199 H LEU 24 H LEU 24 1.658 -1.779 2.280 200 HA LEU 24 HA LEU 24 2.031 -4.531 2.545 201 1HB LEU 24 1HB LEU 24 -0.392 -4.560 3.339 202 2HB LEU 24 2HB LEU 24 0.741 -3.558 4.222 203 HG LEU 24 HG LEU 24 -0.281 -1.775 2.411 204 1HD1 LEU 24 1HD1 LEU 24 -2.618 -3.426 3.329 205 2HD1 LEU 24 2HD1 LEU 24 -1.937 -3.513 1.704 206 3HD1 LEU 24 3HD1 LEU 24 -2.636 -2.002 2.286 207 1HD2 LEU 24 1HD2 LEU 24 -1.495 -2.334 5.103 208 2HD2 LEU 24 2HD2 LEU 24 -1.347 -0.782 4.278 209 3HD2 LEU 24 3HD2 LEU 24 0.092 -1.596 4.892 210 H HIS 25 H HIS 25 -0.070 -2.757 0.311 211 HA HIS 25 HA HIS 25 -1.458 -4.952 -0.748 212 1HB HIS 25 1HB HIS 25 -0.739 -2.300 -2.015 213 2HB HIS 25 2HB HIS 25 -1.851 -3.463 -2.729 214 HD1 HIS 25 HD1 HIS 25 -3.916 -4.108 -0.876 215 HD2 HIS 25 HD2 HIS 25 -2.015 -0.423 -0.605 216 HE1 HIS 25 HE1 HIS 25 -5.467 -2.599 0.433 217 H GLU 26 H GLU 26 1.278 -3.195 -2.250 218 HA GLU 26 HA GLU 26 1.847 -5.564 -3.866 219 1HB GLU 26 1HB GLU 26 2.167 -2.706 -4.232 220 2HB GLU 26 2HB GLU 26 3.676 -3.550 -4.545 221 1HG GLU 26 1HG GLU 26 1.032 -4.217 -5.820 222 2HG GLU 26 2HG GLU 26 2.298 -3.238 -6.559 223 H ASN 27 H ASN 27 2.505 -6.555 -1.711 224 HA ASN 27 HA ASN 27 5.281 -5.864 -1.026 225 1HB ASN 27 1HB ASN 27 3.206 -6.107 0.671 226 2HB ASN 27 2HB ASN 27 3.761 -7.778 0.663 227 1HD2 ASN 27 1HD2 ASN 27 4.732 -4.453 1.269 228 2HD2 ASN 27 2HD2 ASN 27 6.026 -4.835 2.348 229 H LYS 28 H LYS 28 4.793 -7.289 -3.401 230 HA LYS 28 HA LYS 28 5.911 -9.931 -2.728 231 1HB LYS 28 1HB LYS 28 3.533 -9.858 -3.721 232 2HB LYS 28 2HB LYS 28 4.317 -9.392 -5.224 233 1HG LYS 28 1HG LYS 28 4.062 -11.691 -5.416 234 2HG LYS 28 2HG LYS 28 5.742 -11.500 -4.912 235 1HD LYS 28 1HD LYS 28 5.191 -12.069 -2.647 236 2HD LYS 28 2HD LYS 28 3.465 -12.053 -3.011 237 1HE LYS 28 1HE LYS 28 5.219 -13.877 -4.576 238 2HE LYS 28 2HE LYS 28 4.850 -14.306 -2.906 239 1HZ LYS 28 1HZ LYS 28 2.842 -13.750 -5.024 240 2HZ LYS 28 2HZ LYS 28 2.496 -14.182 -3.426 241 3HZ LYS 28 3HZ LYS 28 3.269 -15.284 -4.450 242 H LYS 29 H LYS 29 5.673 -7.528 -5.358 243 HA LYS 29 HA LYS 29 8.515 -8.003 -5.941 244 1HB LYS 29 1HB LYS 29 7.958 -7.666 -8.377 245 2HB LYS 29 2HB LYS 29 7.388 -9.174 -7.676 246 1HG LYS 29 1HG LYS 29 5.435 -7.012 -7.521 247 2HG LYS 29 2HG LYS 29 5.893 -7.440 -9.171 248 1HD LYS 29 1HD LYS 29 5.300 -9.744 -8.789 249 2HD LYS 29 2HD LYS 29 4.997 -9.423 -7.080 250 1HE LYS 29 1HE LYS 29 2.865 -9.433 -8.005 251 2HE LYS 29 2HE LYS 29 3.265 -7.718 -7.931 252 1HZ LYS 29 1HZ LYS 29 3.586 -9.413 -10.349 253 2HZ LYS 29 2HZ LYS 29 3.807 -7.738 -10.252 254 3HZ LYS 29 3HZ LYS 29 2.262 -8.398 -10.058 Start of MODEL 17 1 H TYR 1 H TYR 1 -5.970 12.823 5.955 2 HA TYR 1 HA TYR 1 -7.827 11.856 4.960 3 1HB TYR 1 1HB TYR 1 -9.262 14.362 5.876 4 2HB TYR 1 2HB TYR 1 -9.962 13.168 4.789 5 HD1 TYR 1 HD1 TYR 1 -10.271 10.795 5.653 6 HD2 TYR 1 HD2 TYR 1 -9.368 14.076 8.207 7 HE1 TYR 1 HE1 TYR 1 -11.080 9.508 7.585 8 HE2 TYR 1 HE2 TYR 1 -10.173 12.798 10.145 9 HH TYR 1 HH TYR 1 -10.399 9.865 10.451 10 H LYS 2 H LYS 2 -5.588 13.134 3.992 11 HA LYS 2 HA LYS 2 -6.493 15.045 1.976 12 1HB LYS 2 1HB LYS 2 -3.799 14.209 3.000 13 2HB LYS 2 2HB LYS 2 -3.943 15.045 1.460 14 1HG LYS 2 1HG LYS 2 -5.227 16.187 3.902 15 2HG LYS 2 2HG LYS 2 -3.497 16.396 3.626 16 1HD LYS 2 1HD LYS 2 -4.445 17.088 1.201 17 2HD LYS 2 2HD LYS 2 -5.807 17.576 2.212 18 1HE LYS 2 1HE LYS 2 -4.558 19.494 2.253 19 2HE LYS 2 2HE LYS 2 -3.916 18.670 3.673 20 1HZ LYS 2 1HZ LYS 2 -2.128 19.536 2.335 21 2HZ LYS 2 2HZ LYS 2 -2.690 18.716 0.966 22 3HZ LYS 2 3HZ LYS 2 -2.087 17.844 2.285 23 H PHE 3 H PHE 3 -4.432 12.115 2.012 24 HA PHE 3 HA PHE 3 -5.054 11.681 -0.806 25 1HB PHE 3 1HB PHE 3 -2.889 10.865 1.035 26 2HB PHE 3 2HB PHE 3 -3.363 9.668 -0.149 27 HD1 PHE 3 HD1 PHE 3 -1.852 9.600 -1.873 28 HD2 PHE 3 HD2 PHE 3 -2.999 13.377 -0.282 29 HE1 PHE 3 HE1 PHE 3 -0.476 10.730 -3.571 30 HE2 PHE 3 HE2 PHE 3 -1.628 14.514 -1.978 31 HZ PHE 3 HZ PHE 3 -0.363 13.188 -3.625 32 H ALA 4 H ALA 4 -5.380 9.359 -1.487 33 HA ALA 4 HA ALA 4 -6.765 7.674 0.438 34 1HB ALA 4 1HB ALA 4 -8.606 9.005 -0.253 35 2HB ALA 4 2HB ALA 4 -8.748 7.463 -1.099 36 3HB ALA 4 3HB ALA 4 -8.142 8.884 -1.950 37 H CYS 5 H CYS 5 -6.681 5.518 -0.074 38 HA CYS 5 HA CYS 5 -4.880 4.758 -2.194 39 1HB CYS 5 1HB CYS 5 -5.100 3.703 0.169 40 2HB CYS 5 2HB CYS 5 -6.443 2.811 -0.522 41 HG CYS 5 HG CYS 5 -4.035 1.567 -0.653 42 HA PRO 6 HA PRO 6 -8.074 3.871 -5.166 43 1HB PRO 6 1HB PRO 6 -6.575 2.625 -7.019 44 2HB PRO 6 2HB PRO 6 -6.442 4.362 -6.725 45 1HG PRO 6 1HG PRO 6 -4.680 2.141 -5.767 46 2HG PRO 6 2HG PRO 6 -4.228 3.733 -6.402 47 1HD PRO 6 1HD PRO 6 -4.310 3.125 -3.734 48 2HD PRO 6 2HD PRO 6 -4.544 4.761 -4.381 49 H GLU 7 H GLU 7 -6.218 1.475 -3.497 50 HA GLU 7 HA GLU 7 -7.833 -0.726 -4.552 51 1HB GLU 7 1HB GLU 7 -5.148 -0.539 -3.886 52 2HB GLU 7 2HB GLU 7 -5.846 -1.407 -2.526 53 1HG GLU 7 1HG GLU 7 -6.775 -3.066 -4.049 54 2HG GLU 7 2HG GLU 7 -6.096 -2.191 -5.421 55 H CYS 8 H CYS 8 -6.894 0.755 -1.446 56 HA CYS 8 HA CYS 8 -9.238 -0.544 -0.211 57 1HB CYS 8 1HB CYS 8 -8.063 -0.567 1.883 58 2HB CYS 8 2HB CYS 8 -7.020 -1.275 0.660 59 HG CYS 8 HG CYS 8 -5.361 0.489 1.044 60 HA PRO 9 HA PRO 9 -10.670 3.458 0.977 61 1HB PRO 9 1HB PRO 9 -12.112 2.922 3.159 62 2HB PRO 9 2HB PRO 9 -12.517 2.214 1.592 63 1HG PRO 9 1HG PRO 9 -11.201 0.968 3.949 64 2HG PRO 9 2HG PRO 9 -12.295 0.245 2.759 65 1HD PRO 9 1HD PRO 9 -9.474 0.076 2.787 66 2HD PRO 9 2HD PRO 9 -10.550 -0.424 1.472 67 H LYS 10 H LYS 10 -7.913 3.188 1.913 68 HA LYS 10 HA LYS 10 -7.963 4.253 4.621 69 1HB LYS 10 1HB LYS 10 -5.567 3.765 2.842 70 2HB LYS 10 2HB LYS 10 -5.539 4.138 4.541 71 1HG LYS 10 1HG LYS 10 -6.969 1.710 3.567 72 2HG LYS 10 2HG LYS 10 -5.222 1.700 3.806 73 1HD LYS 10 1HD LYS 10 -5.440 1.561 6.025 74 2HD LYS 10 2HD LYS 10 -6.622 2.870 6.062 75 1HE LYS 10 1HE LYS 10 -7.253 0.021 5.302 76 2HE LYS 10 2HE LYS 10 -7.483 0.692 6.914 77 1HZ LYS 10 1HZ LYS 10 -8.897 1.416 4.419 78 2HZ LYS 10 2HZ LYS 10 -8.927 2.416 5.782 79 3HZ LYS 10 3HZ LYS 10 -9.555 0.847 5.871 80 H ARG 11 H ARG 11 -6.978 6.255 5.172 81 HA ARG 11 HA ARG 11 -6.565 8.199 3.034 82 1HB ARG 11 1HB ARG 11 -8.047 9.805 4.511 83 2HB ARG 11 2HB ARG 11 -8.780 8.767 3.297 84 1HG ARG 11 1HG ARG 11 -8.527 7.614 6.000 85 2HG ARG 11 2HG ARG 11 -9.653 8.958 5.826 86 1HD ARG 11 1HD ARG 11 -9.652 6.456 4.141 87 2HD ARG 11 2HD ARG 11 -10.730 6.763 5.501 88 HE ARG 11 HE ARG 11 -10.908 7.878 2.845 89 1HH1 ARG 11 1HH1 ARG 11 -11.897 8.212 6.190 90 2HH1 ARG 11 2HH1 ARG 11 -13.282 9.176 5.809 91 1HH2 ARG 11 1HH2 ARG 11 -12.736 9.146 2.355 92 2HH2 ARG 11 2HH2 ARG 11 -13.760 9.705 3.635 93 H PHE 12 H PHE 12 -4.906 9.522 3.479 94 HA PHE 12 HA PHE 12 -4.098 9.850 6.290 95 1HB PHE 12 1HB PHE 12 -2.159 9.444 4.045 96 2HB PHE 12 2HB PHE 12 -1.794 9.485 5.752 97 HD1 PHE 12 HD1 PHE 12 -4.122 7.596 3.537 98 HD2 PHE 12 HD2 PHE 12 -1.223 7.429 6.641 99 HE1 PHE 12 HE1 PHE 12 -4.354 5.166 3.602 100 HE2 PHE 12 HE2 PHE 12 -1.454 4.976 6.715 101 HZ PHE 12 HZ PHE 12 -3.027 3.843 5.179 102 H MET 13 H MET 13 -3.208 11.803 6.860 103 HA MET 13 HA MET 13 -3.939 14.066 5.329 104 1HB MET 13 1HB MET 13 -2.511 13.581 7.880 105 2HB MET 13 2HB MET 13 -2.177 15.114 7.087 106 1HG MET 13 1HG MET 13 -4.558 15.635 7.069 107 2HG MET 13 2HG MET 13 -4.904 14.091 7.844 108 1HE MET 13 1HE MET 13 -6.208 16.359 9.584 109 2HE MET 13 2HE MET 13 -5.580 15.708 11.099 110 3HE MET 13 3HE MET 13 -6.048 14.616 9.796 111 H ARG 14 H ARG 14 -0.992 12.194 5.543 112 HA ARG 14 HA ARG 14 0.441 14.150 3.894 113 1HB ARG 14 1HB ARG 14 1.358 11.749 5.465 114 2HB ARG 14 2HB ARG 14 2.404 12.587 4.334 115 1HG ARG 14 1HG ARG 14 3.011 13.789 6.113 116 2HG ARG 14 2HG ARG 14 1.495 14.652 5.847 117 1HD ARG 14 1HD ARG 14 0.660 13.919 7.774 118 2HD ARG 14 2HD ARG 14 1.040 12.244 7.362 119 HE ARG 14 HE ARG 14 3.417 13.444 8.139 120 1HH1 ARG 14 1HH1 ARG 14 0.324 12.667 9.585 121 2HH1 ARG 14 2HH1 ARG 14 0.975 12.499 11.180 122 1HH2 ARG 14 1HH2 ARG 14 4.269 13.219 10.239 123 2HH2 ARG 14 2HH2 ARG 14 3.215 12.813 11.553 124 H SER 15 H SER 15 1.673 13.375 2.048 125 HA SER 15 HA SER 15 0.109 11.510 0.470 126 1HB SER 15 1HB SER 15 0.581 13.230 -0.893 127 2HB SER 15 2HB SER 15 2.105 13.618 -0.099 128 HG SER 15 HG SER 15 3.118 12.366 -1.467 129 H ASP 16 H ASP 16 3.486 11.875 1.526 130 HA ASP 16 HA ASP 16 4.401 9.446 0.397 131 1HB ASP 16 1HB ASP 16 5.607 11.611 1.586 132 2HB ASP 16 2HB ASP 16 5.834 10.347 2.790 133 H HIS 17 H HIS 17 3.064 10.276 3.557 134 HA HIS 17 HA HIS 17 3.662 7.881 4.896 135 1HB HIS 17 1HB HIS 17 1.703 10.084 5.277 136 2HB HIS 17 2HB HIS 17 1.390 8.573 6.116 137 HD1 HIS 17 HD1 HIS 17 1.780 10.026 8.311 138 HD2 HIS 17 HD2 HIS 17 5.122 9.447 5.911 139 HE1 HIS 17 HE1 HIS 17 3.750 10.624 9.743 140 HE2 HIS 17 HE2 HIS 17 5.757 10.351 8.249 141 H LEU 18 H LEU 18 0.645 8.845 3.209 142 HA LEU 18 HA LEU 18 -0.698 6.413 3.543 143 1HB LEU 18 1HB LEU 18 -1.765 8.482 2.771 144 2HB LEU 18 2HB LEU 18 -0.904 8.378 1.262 145 HG LEU 18 HG LEU 18 -2.742 6.172 2.128 146 1HD1 LEU 18 1HD1 LEU 18 -3.568 8.811 1.743 147 2HD1 LEU 18 2HD1 LEU 18 -4.576 7.363 1.805 148 3HD1 LEU 18 3HD1 LEU 18 -3.977 7.952 0.257 149 1HD2 LEU 18 1HD2 LEU 18 -1.681 5.404 0.291 150 2HD2 LEU 18 2HD2 LEU 18 -1.368 7.023 -0.345 151 3HD2 LEU 18 3HD2 LEU 18 -2.971 6.304 -0.510 152 H THR 19 H THR 19 1.434 7.554 0.948 153 HA THR 19 HA THR 19 1.190 5.314 -0.698 154 HB THR 19 HB THR 19 3.545 7.193 -0.389 155 HG1 THR 19 HG1 THR 19 2.083 8.488 -1.185 156 1HG2 THR 19 1HG2 THR 19 3.999 6.598 -2.777 157 2HG2 THR 19 2HG2 THR 19 2.887 5.244 -2.578 158 3HG2 THR 19 3HG2 THR 19 4.354 5.329 -1.604 159 H LEU 20 H LEU 20 3.173 5.923 2.141 160 HA LEU 20 HA LEU 20 4.939 3.725 1.859 161 1HB LEU 20 1HB LEU 20 5.151 5.716 3.439 162 2HB LEU 20 2HB LEU 20 3.994 4.899 4.472 163 HG LEU 20 HG LEU 20 5.645 2.924 4.442 164 1HD1 LEU 20 1HD1 LEU 20 7.478 5.134 3.524 165 2HD1 LEU 20 2HD1 LEU 20 7.027 3.706 2.593 166 3HD1 LEU 20 3HD1 LEU 20 7.978 3.533 4.067 167 1HD2 LEU 20 1HD2 LEU 20 5.217 4.351 6.388 168 2HD2 LEU 20 2HD2 LEU 20 6.426 5.496 5.808 169 3HD2 LEU 20 3HD2 LEU 20 6.912 3.870 6.288 170 H HIS 21 H HIS 21 1.732 4.109 3.244 171 HA HIS 21 HA HIS 21 1.472 1.651 4.548 172 1HB HIS 21 1HB HIS 21 -0.549 2.510 5.031 173 2HB HIS 21 2HB HIS 21 -0.120 3.909 4.087 174 HD1 HIS 21 HD1 HIS 21 -2.159 4.486 2.760 175 HD2 HIS 21 HD2 HIS 21 -1.417 0.419 2.753 176 HE1 HIS 21 HE1 HIS 21 -3.924 3.428 1.295 177 H ILE 22 H ILE 22 0.509 2.633 1.304 178 HA ILE 22 HA ILE 22 -0.700 0.332 0.452 179 HB ILE 22 HB ILE 22 0.951 2.034 -1.407 180 1HG1 ILE 22 1HG1 ILE 22 -1.925 2.607 -0.889 181 2HG1 ILE 22 2HG1 ILE 22 -0.779 3.168 0.305 182 1HG2 ILE 22 1HG2 ILE 22 -0.380 1.232 -3.098 183 2HG2 ILE 22 2HG2 ILE 22 -1.737 0.911 -2.016 184 3HG2 ILE 22 3HG2 ILE 22 -0.350 -0.179 -2.040 185 1HD1 ILE 22 1HD1 ILE 22 0.332 3.964 -2.075 186 2HD1 ILE 22 2HD1 ILE 22 -0.588 4.968 -0.957 187 3HD1 ILE 22 3HD1 ILE 22 -1.398 4.196 -2.317 188 H LEU 23 H LEU 23 2.646 0.660 1.121 189 HA LEU 23 HA LEU 23 3.818 -1.142 -0.636 190 1HB LEU 23 1HB LEU 23 4.375 -0.318 2.178 191 2HB LEU 23 2HB LEU 23 5.225 -1.712 1.541 192 HG LEU 23 HG LEU 23 5.246 0.864 0.013 193 1HD1 LEU 23 1HD1 LEU 23 6.745 0.229 2.519 194 2HD1 LEU 23 2HD1 LEU 23 5.992 1.741 2.014 195 3HD1 LEU 23 3HD1 LEU 23 7.495 1.213 1.261 196 1HD2 LEU 23 1HD2 LEU 23 7.384 0.011 -0.770 197 2HD2 LEU 23 2HD2 LEU 23 6.110 -1.181 -1.032 198 3HD2 LEU 23 3HD2 LEU 23 7.242 -1.380 0.306 199 H LEU 24 H LEU 24 1.776 -1.720 2.192 200 HA LEU 24 HA LEU 24 2.245 -4.456 2.557 201 1HB LEU 24 1HB LEU 24 -0.116 -4.515 3.474 202 2HB LEU 24 2HB LEU 24 1.007 -3.412 4.242 203 HG LEU 24 HG LEU 24 -0.173 -1.781 2.392 204 1HD1 LEU 24 1HD1 LEU 24 -2.513 -2.128 2.356 205 2HD1 LEU 24 2HD1 LEU 24 -2.397 -3.479 3.489 206 3HD1 LEU 24 3HD1 LEU 24 -1.765 -3.645 1.849 207 1HD2 LEU 24 1HD2 LEU 24 0.278 -1.515 4.878 208 2HD2 LEU 24 2HD2 LEU 24 -1.314 -2.231 5.130 209 3HD2 LEU 24 3HD2 LEU 24 -1.159 -0.718 4.239 210 H HIS 25 H HIS 25 0.020 -2.804 0.349 211 HA HIS 25 HA HIS 25 -1.420 -5.001 -0.572 212 1HB HIS 25 1HB HIS 25 -0.617 -2.442 -1.961 213 2HB HIS 25 2HB HIS 25 -1.687 -3.630 -2.698 214 HD1 HIS 25 HD1 HIS 25 -3.852 -4.219 -0.944 215 HD2 HIS 25 HD2 HIS 25 -1.973 -0.524 -0.691 216 HE1 HIS 25 HE1 HIS 25 -5.477 -2.672 0.223 217 H GLU 26 H GLU 26 1.706 -3.729 -1.670 218 HA GLU 26 HA GLU 26 1.974 -5.688 -3.760 219 1HB GLU 26 1HB GLU 26 4.003 -3.789 -2.566 220 2HB GLU 26 2HB GLU 26 4.264 -4.773 -3.999 221 1HG GLU 26 1HG GLU 26 3.259 -3.290 -5.302 222 2HG GLU 26 2HG GLU 26 1.855 -3.203 -4.239 223 H ASN 27 H ASN 27 3.865 -5.063 -0.786 224 HA ASN 27 HA ASN 27 4.940 -7.756 -0.859 225 1HB ASN 27 1HB ASN 27 5.702 -5.240 0.330 226 2HB ASN 27 2HB ASN 27 5.691 -6.506 1.554 227 1HD2 ASN 27 1HD2 ASN 27 6.936 -5.669 -1.640 228 2HD2 ASN 27 2HD2 ASN 27 8.369 -6.628 -1.526 229 H LYS 28 H LYS 28 3.765 -9.380 -0.096 230 HA LYS 28 HA LYS 28 2.432 -9.063 2.495 231 1HB LYS 28 1HB LYS 28 0.465 -10.318 1.673 232 2HB LYS 28 2HB LYS 28 0.663 -8.769 0.868 233 1HG LYS 28 1HG LYS 28 2.026 -10.418 -0.810 234 2HG LYS 28 2HG LYS 28 0.753 -11.488 -0.218 235 1HD LYS 28 1HD LYS 28 0.023 -8.736 -1.106 236 2HD LYS 28 2HD LYS 28 0.376 -9.958 -2.328 237 1HE LYS 28 1HE LYS 28 -1.343 -11.071 -0.326 238 2HE LYS 28 2HE LYS 28 -2.029 -9.557 -0.915 239 1HZ LYS 28 1HZ LYS 28 -2.771 -11.455 -2.222 240 2HZ LYS 28 2HZ LYS 28 -1.172 -11.834 -2.621 241 3HZ LYS 28 3HZ LYS 28 -1.860 -10.389 -3.171 242 H LYS 29 H LYS 29 2.593 -10.797 3.828 243 HA LYS 29 HA LYS 29 3.324 -13.405 2.804 244 1HB LYS 29 1HB LYS 29 5.393 -13.627 3.987 245 2HB LYS 29 2HB LYS 29 5.488 -12.168 3.014 246 1HG LYS 29 1HG LYS 29 4.705 -12.070 5.908 247 2HG LYS 29 2HG LYS 29 6.394 -12.087 5.401 248 1HD LYS 29 1HD LYS 29 5.888 -10.098 3.962 249 2HD LYS 29 2HD LYS 29 4.292 -10.039 4.711 250 1HE LYS 29 1HE LYS 29 6.825 -9.997 6.326 251 2HE LYS 29 2HE LYS 29 6.095 -8.525 5.688 252 1HZ LYS 29 1HZ LYS 29 4.847 -10.448 7.575 253 2HZ LYS 29 2HZ LYS 29 4.039 -9.133 6.882 254 3HZ LYS 29 3HZ LYS 29 5.348 -8.869 7.920 Start of MODEL 18 1 H TYR 1 H TYR 1 -9.005 13.926 6.762 2 HA TYR 1 HA TYR 1 -7.260 11.877 5.578 3 1HB TYR 1 1HB TYR 1 -10.238 12.408 5.407 4 2HB TYR 1 2HB TYR 1 -9.386 11.067 4.653 5 HD1 TYR 1 HD1 TYR 1 -11.576 11.667 7.124 6 HD2 TYR 1 HD2 TYR 1 -7.714 9.940 6.659 7 HE1 TYR 1 HE1 TYR 1 -11.943 10.317 9.144 8 HE2 TYR 1 HE2 TYR 1 -8.072 8.584 8.679 9 HH TYR 1 HH TYR 1 -10.711 7.810 9.933 10 H LYS 2 H LYS 2 -6.018 13.014 4.145 11 HA LYS 2 HA LYS 2 -7.300 14.972 2.393 12 1HB LYS 2 1HB LYS 2 -4.513 14.390 3.219 13 2HB LYS 2 2HB LYS 2 -4.729 14.981 1.579 14 1HG LYS 2 1HG LYS 2 -4.690 17.023 2.445 15 2HG LYS 2 2HG LYS 2 -6.297 16.680 3.087 16 1HD LYS 2 1HD LYS 2 -5.423 16.035 5.188 17 2HD LYS 2 2HD LYS 2 -3.775 15.959 4.561 18 1HE LYS 2 1HE LYS 2 -4.589 18.558 4.031 19 2HE LYS 2 2HE LYS 2 -5.256 18.214 5.627 20 1HZ LYS 2 1HZ LYS 2 -3.044 17.552 6.361 21 2HZ LYS 2 2HZ LYS 2 -3.041 19.144 5.791 22 3HZ LYS 2 3HZ LYS 2 -2.409 17.903 4.831 23 H PHE 3 H PHE 3 -5.138 12.143 2.033 24 HA PHE 3 HA PHE 3 -6.057 11.844 -0.729 25 1HB PHE 3 1HB PHE 3 -3.617 11.118 0.769 26 2HB PHE 3 2HB PHE 3 -4.152 9.940 -0.415 27 HD1 PHE 3 HD1 PHE 3 -4.340 10.587 -2.805 28 HD2 PHE 3 HD2 PHE 3 -2.627 13.165 0.117 29 HE1 PHE 3 HE1 PHE 3 -3.289 11.910 -4.593 30 HE2 PHE 3 HE2 PHE 3 -1.574 14.493 -1.666 31 HZ PHE 3 HZ PHE 3 -1.905 13.866 -4.025 32 H ALA 4 H ALA 4 -6.057 9.409 -1.423 33 HA ALA 4 HA ALA 4 -7.175 7.608 0.550 34 1HB ALA 4 1HB ALA 4 -9.165 8.814 -0.048 35 2HB ALA 4 2HB ALA 4 -9.241 7.208 -0.773 36 3HB ALA 4 3HB ALA 4 -8.827 8.605 -1.766 37 H CYS 5 H CYS 5 -6.770 5.504 0.052 38 HA CYS 5 HA CYS 5 -5.015 4.918 -2.100 39 1HB CYS 5 1HB CYS 5 -5.283 3.721 0.197 40 2HB CYS 5 2HB CYS 5 -6.535 2.796 -0.618 41 HG CYS 5 HG CYS 5 -4.073 1.683 -0.704 42 HA PRO 6 HA PRO 6 -8.004 4.128 -5.293 43 1HB PRO 6 1HB PRO 6 -6.393 2.841 -7.047 44 2HB PRO 6 2HB PRO 6 -6.301 4.584 -6.773 45 1HG PRO 6 1HG PRO 6 -4.579 2.399 -5.670 46 2HG PRO 6 2HG PRO 6 -4.105 3.985 -6.305 47 1HD PRO 6 1HD PRO 6 -4.308 3.456 -3.649 48 2HD PRO 6 2HD PRO 6 -4.612 5.064 -4.339 49 H GLU 7 H GLU 7 -6.205 1.612 -3.674 50 HA GLU 7 HA GLU 7 -7.944 -0.467 -4.788 51 1HB GLU 7 1HB GLU 7 -5.436 -0.755 -4.750 52 2HB GLU 7 2HB GLU 7 -5.542 -0.839 -2.997 53 1HG GLU 7 1HG GLU 7 -7.412 -2.661 -4.186 54 2HG GLU 7 2HG GLU 7 -5.797 -2.930 -4.838 55 H CYS 8 H CYS 8 -6.801 0.745 -1.622 56 HA CYS 8 HA CYS 8 -9.090 -0.621 -0.364 57 1HB CYS 8 1HB CYS 8 -7.878 -0.690 1.664 58 2HB CYS 8 2HB CYS 8 -6.739 -1.154 0.415 59 HG CYS 8 HG CYS 8 -5.300 0.679 1.133 60 HA PRO 9 HA PRO 9 -10.728 3.261 0.962 61 1HB PRO 9 1HB PRO 9 -12.053 2.582 3.176 62 2HB PRO 9 2HB PRO 9 -12.463 1.871 1.610 63 1HG PRO 9 1HG PRO 9 -10.976 0.686 3.899 64 2HG PRO 9 2HG PRO 9 -12.057 -0.096 2.733 65 1HD PRO 9 1HD PRO 9 -9.228 -0.050 2.660 66 2HD PRO 9 2HD PRO 9 -10.311 -0.620 1.381 67 H LYS 10 H LYS 10 -7.907 3.027 1.849 68 HA LYS 10 HA LYS 10 -7.943 4.109 4.551 69 1HB LYS 10 1HB LYS 10 -5.608 3.568 2.714 70 2HB LYS 10 2HB LYS 10 -5.484 4.102 4.362 71 1HG LYS 10 1HG LYS 10 -7.068 1.666 4.002 72 2HG LYS 10 2HG LYS 10 -5.361 1.522 3.579 73 1HD LYS 10 1HD LYS 10 -5.062 2.789 5.888 74 2HD LYS 10 2HD LYS 10 -6.633 2.054 6.214 75 1HE LYS 10 1HE LYS 10 -5.044 0.516 7.018 76 2HE LYS 10 2HE LYS 10 -5.595 -0.142 5.479 77 1HZ LYS 10 1HZ LYS 10 -3.132 -0.189 5.869 78 2HZ LYS 10 2HZ LYS 10 -3.138 1.497 5.735 79 3HZ LYS 10 3HZ LYS 10 -3.616 0.543 4.423 80 H ARG 11 H ARG 11 -7.013 6.120 5.080 81 HA ARG 11 HA ARG 11 -6.667 8.059 2.923 82 1HB ARG 11 1HB ARG 11 -8.552 8.411 5.247 83 2HB ARG 11 2HB ARG 11 -8.061 9.701 4.173 84 1HG ARG 11 1HG ARG 11 -10.001 9.160 3.155 85 2HG ARG 11 2HG ARG 11 -8.959 7.988 2.345 86 1HD ARG 11 1HD ARG 11 -9.663 6.239 3.796 87 2HD ARG 11 2HD ARG 11 -10.478 7.373 4.870 88 HE ARG 11 HE ARG 11 -12.299 7.302 3.498 89 1HH1 ARG 11 1HH1 ARG 11 -9.550 6.063 1.712 90 2HH1 ARG 11 2HH1 ARG 11 -10.506 5.541 0.367 91 1HH2 ARG 11 1HH2 ARG 11 -13.549 6.610 1.722 92 2HH2 ARG 11 2HH2 ARG 11 -12.775 5.852 0.372 93 H PHE 12 H PHE 12 -5.185 9.626 3.361 94 HA PHE 12 HA PHE 12 -4.120 9.838 6.080 95 1HB PHE 12 1HB PHE 12 -2.318 9.444 3.718 96 2HB PHE 12 2HB PHE 12 -1.846 9.504 5.401 97 HD1 PHE 12 HD1 PHE 12 -4.172 7.553 3.227 98 HD2 PHE 12 HD2 PHE 12 -1.311 7.487 6.376 99 HE1 PHE 12 HE1 PHE 12 -4.355 5.117 3.329 100 HE2 PHE 12 HE2 PHE 12 -1.492 5.031 6.483 101 HZ PHE 12 HZ PHE 12 -3.016 3.845 4.944 102 H MET 13 H MET 13 -3.152 11.781 6.590 103 HA MET 13 HA MET 13 -3.905 14.022 4.962 104 1HB MET 13 1HB MET 13 -2.362 13.813 7.548 105 2HB MET 13 2HB MET 13 -2.732 15.343 6.767 106 1HG MET 13 1HG MET 13 -5.159 13.944 6.938 107 2HG MET 13 2HG MET 13 -4.357 13.746 8.495 108 1HE MET 13 1HE MET 13 -3.193 15.524 9.636 109 2HE MET 13 2HE MET 13 -4.656 16.092 10.438 110 3HE MET 13 3HE MET 13 -3.593 17.242 9.628 111 H ARG 14 H ARG 14 -1.049 12.104 5.382 112 HA ARG 14 HA ARG 14 0.618 14.070 3.985 113 1HB ARG 14 1HB ARG 14 1.356 11.468 5.341 114 2HB ARG 14 2HB ARG 14 2.496 12.569 4.580 115 1HG ARG 14 1HG ARG 14 2.434 14.042 6.296 116 2HG ARG 14 2HG ARG 14 0.738 13.718 6.659 117 1HD ARG 14 1HD ARG 14 1.489 12.562 8.416 118 2HD ARG 14 2HD ARG 14 1.963 11.327 7.248 119 HE ARG 14 HE ARG 14 4.185 12.085 7.375 120 1HH1 ARG 14 1HH1 ARG 14 2.081 13.889 9.525 121 2HH1 ARG 14 2HH1 ARG 14 3.387 14.496 10.483 122 1HH2 ARG 14 1HH2 ARG 14 5.893 12.892 8.644 123 2HH2 ARG 14 2HH2 ARG 14 5.548 13.934 9.985 124 H SER 15 H SER 15 1.967 13.345 2.196 125 HA SER 15 HA SER 15 0.496 11.528 0.450 126 1HB SER 15 1HB SER 15 0.928 13.135 -1.000 127 2HB SER 15 2HB SER 15 2.110 13.896 0.059 128 HG SER 15 HG SER 15 3.679 12.919 -0.987 129 H ASP 16 H ASP 16 3.809 12.011 1.662 130 HA ASP 16 HA ASP 16 4.885 9.697 0.425 131 1HB ASP 16 1HB ASP 16 5.992 11.845 1.626 132 2HB ASP 16 2HB ASP 16 6.154 10.658 2.914 133 H HIS 17 H HIS 17 3.807 10.322 3.771 134 HA HIS 17 HA HIS 17 4.367 7.765 4.783 135 1HB HIS 17 1HB HIS 17 2.599 10.014 5.615 136 2HB HIS 17 2HB HIS 17 2.309 8.436 6.337 137 HD1 HIS 17 HD1 HIS 17 3.042 9.562 8.609 138 HD2 HIS 17 HD2 HIS 17 6.026 9.248 5.735 139 HE1 HIS 17 HE1 HIS 17 5.196 9.957 9.830 140 HE2 HIS 17 HE2 HIS 17 6.981 9.864 8.058 141 H LEU 18 H LEU 18 1.462 9.060 3.213 142 HA LEU 18 HA LEU 18 -0.240 6.881 3.569 143 1HB LEU 18 1HB LEU 18 -0.866 9.109 2.668 144 2HB LEU 18 2HB LEU 18 -0.077 8.694 1.166 145 HG LEU 18 HG LEU 18 -2.261 6.953 2.224 146 1HD1 LEU 18 1HD1 LEU 18 -2.516 9.641 0.963 147 2HD1 LEU 18 2HD1 LEU 18 -3.426 8.942 2.300 148 3HD1 LEU 18 3HD1 LEU 18 -3.727 8.397 0.651 149 1HD2 LEU 18 1HD2 LEU 18 -1.641 5.879 0.374 150 2HD2 LEU 18 2HD2 LEU 18 -0.750 7.271 -0.247 151 3HD2 LEU 18 3HD2 LEU 18 -2.494 7.163 -0.487 152 H THR 19 H THR 19 2.026 7.603 0.919 153 HA THR 19 HA THR 19 1.471 5.321 -0.593 154 HB THR 19 HB THR 19 4.101 6.815 -0.443 155 HG1 THR 19 HG1 THR 19 2.891 8.382 -1.153 156 1HG2 THR 19 1HG2 THR 19 4.272 6.182 -2.846 157 2HG2 THR 19 2HG2 THR 19 2.914 5.084 -2.593 158 3HG2 THR 19 3HG2 THR 19 4.424 4.835 -1.716 159 H LEU 20 H LEU 20 3.586 5.847 2.168 160 HA LEU 20 HA LEU 20 5.124 3.503 2.018 161 1HB LEU 20 1HB LEU 20 5.397 5.512 3.584 162 2HB LEU 20 2HB LEU 20 4.178 4.755 4.590 163 HG LEU 20 HG LEU 20 6.017 2.724 4.178 164 1HD1 LEU 20 1HD1 LEU 20 8.179 3.678 4.737 165 2HD1 LEU 20 2HD1 LEU 20 7.496 5.302 4.681 166 3HD1 LEU 20 3HD1 LEU 20 7.589 4.334 3.210 167 1HD2 LEU 20 1HD2 LEU 20 4.830 3.220 6.249 168 2HD2 LEU 20 2HD2 LEU 20 5.814 4.665 6.476 169 3HD2 LEU 20 3HD2 LEU 20 6.565 3.071 6.534 170 H HIS 21 H HIS 21 1.882 4.129 3.224 171 HA HIS 21 HA HIS 21 1.403 1.716 4.564 172 1HB HIS 21 1HB HIS 21 -0.567 2.728 4.951 173 2HB HIS 21 2HB HIS 21 -0.039 4.059 3.960 174 HD1 HIS 21 HD1 HIS 21 -1.996 4.677 2.524 175 HD2 HIS 21 HD2 HIS 21 -1.482 0.579 2.748 176 HE1 HIS 21 HE1 HIS 21 -3.801 3.638 1.093 177 H ILE 22 H ILE 22 0.630 2.710 1.279 178 HA ILE 22 HA ILE 22 -0.650 0.452 0.400 179 HB ILE 22 HB ILE 22 1.101 2.128 -1.389 180 1HG1 ILE 22 1HG1 ILE 22 -1.772 2.768 -0.971 181 2HG1 ILE 22 2HG1 ILE 22 -0.674 3.246 0.300 182 1HG2 ILE 22 1HG2 ILE 22 -0.083 1.292 -3.132 183 2HG2 ILE 22 2HG2 ILE 22 -1.575 1.180 -2.195 184 3HG2 ILE 22 3HG2 ILE 22 -0.333 -0.062 -2.029 185 1HD1 ILE 22 1HD1 ILE 22 0.605 4.130 -1.935 186 2HD1 ILE 22 2HD1 ILE 22 -0.425 5.098 -0.879 187 3HD1 ILE 22 3HD1 ILE 22 -1.095 4.369 -2.337 188 H LEU 23 H LEU 23 2.666 0.614 1.205 189 HA LEU 23 HA LEU 23 3.773 -1.239 -0.579 190 1HB LEU 23 1HB LEU 23 4.432 -0.250 2.134 191 2HB LEU 23 2HB LEU 23 5.129 -1.796 1.690 192 HG LEU 23 HG LEU 23 6.090 -0.703 -0.349 193 1HD1 LEU 23 1HD1 LEU 23 4.653 1.180 -0.615 194 2HD1 LEU 23 2HD1 LEU 23 6.269 1.789 -0.257 195 3HD1 LEU 23 3HD1 LEU 23 5.034 1.772 1.001 196 1HD2 LEU 23 1HD2 LEU 23 7.942 0.267 0.806 197 2HD2 LEU 23 2HD2 LEU 23 7.343 -1.078 1.778 198 3HD2 LEU 23 3HD2 LEU 23 6.956 0.581 2.234 199 H LEU 24 H LEU 24 1.691 -1.664 2.228 200 HA LEU 24 HA LEU 24 2.101 -4.398 2.703 201 1HB LEU 24 1HB LEU 24 -0.269 -4.366 3.602 202 2HB LEU 24 2HB LEU 24 0.880 -3.273 4.346 203 HG LEU 24 HG LEU 24 -0.238 -1.663 2.444 204 1HD1 LEU 24 1HD1 LEU 24 -1.874 -3.488 1.922 205 2HD1 LEU 24 2HD1 LEU 24 -2.585 -1.940 2.388 206 3HD1 LEU 24 3HD1 LEU 24 -2.522 -3.270 3.548 207 1HD2 LEU 24 1HD2 LEU 24 -1.419 -2.013 5.180 208 2HD2 LEU 24 2HD2 LEU 24 -1.223 -0.527 4.250 209 3HD2 LEU 24 3HD2 LEU 24 0.190 -1.339 4.925 210 H HIS 25 H HIS 25 0.007 -2.765 0.375 211 HA HIS 25 HA HIS 25 -1.522 -4.956 -0.446 212 1HB HIS 25 1HB HIS 25 -0.671 -2.470 -1.930 213 2HB HIS 25 2HB HIS 25 -1.808 -3.643 -2.587 214 HD1 HIS 25 HD1 HIS 25 -3.607 -4.169 -0.182 215 HD2 HIS 25 HD2 HIS 25 -2.226 -0.394 -1.229 216 HE1 HIS 25 HE1 HIS 25 -5.217 -2.513 0.843 217 H GLU 26 H GLU 26 1.765 -4.092 -1.246 218 HA GLU 26 HA GLU 26 2.170 -5.411 -3.637 219 1HB GLU 26 1HB GLU 26 3.797 -4.013 -2.170 220 2HB GLU 26 2HB GLU 26 4.211 -5.558 -1.439 221 1HG GLU 26 1HG GLU 26 5.016 -6.415 -3.496 222 2HG GLU 26 2HG GLU 26 4.349 -5.054 -4.398 223 H ASN 27 H ASN 27 2.203 -6.775 -0.353 224 HA ASN 27 HA ASN 27 1.976 -9.456 -1.548 225 1HB ASN 27 1HB ASN 27 4.195 -8.508 -0.114 226 2HB ASN 27 2HB ASN 27 3.319 -9.534 1.018 227 1HD2 ASN 27 1HD2 ASN 27 4.827 -9.428 -2.155 228 2HD2 ASN 27 2HD2 ASN 27 5.120 -11.126 -2.274 229 H LYS 28 H LYS 28 1.683 -10.937 0.767 230 HA LYS 28 HA LYS 28 -0.406 -9.711 2.372 231 1HB LYS 28 1HB LYS 28 -1.971 -11.626 1.934 232 2HB LYS 28 2HB LYS 28 -1.756 -10.525 0.582 233 1HG LYS 28 1HG LYS 28 0.032 -12.227 -0.204 234 2HG LYS 28 2HG LYS 28 -0.782 -13.331 0.906 235 1HD LYS 28 1HD LYS 28 -2.261 -11.771 -1.202 236 2HD LYS 28 2HD LYS 28 -1.560 -13.361 -1.515 237 1HE LYS 28 1HE LYS 28 -3.530 -14.160 -0.809 238 2HE LYS 28 2HE LYS 28 -2.934 -13.793 0.808 239 1HZ LYS 28 1HZ LYS 28 -4.029 -11.649 0.699 240 2HZ LYS 28 2HZ LYS 28 -5.148 -12.889 0.432 241 3HZ LYS 28 3HZ LYS 28 -4.577 -11.972 -0.869 242 H LYS 29 H LYS 29 0.024 -10.208 4.404 243 HA LYS 29 HA LYS 29 1.200 -12.845 5.002 244 1HB LYS 29 1HB LYS 29 2.306 -11.721 6.963 245 2HB LYS 29 2HB LYS 29 2.914 -11.237 5.388 246 1HG LYS 29 1HG LYS 29 2.196 -9.109 5.612 247 2HG LYS 29 2HG LYS 29 0.751 -9.573 6.510 248 1HD LYS 29 1HD LYS 29 3.495 -9.763 7.718 249 2HD LYS 29 2HD LYS 29 2.562 -8.266 7.761 250 1HE LYS 29 1HE LYS 29 1.511 -9.020 9.567 251 2HE LYS 29 2HE LYS 29 0.814 -10.308 8.586 252 1HZ LYS 29 1HZ LYS 29 1.975 -11.185 10.514 253 2HZ LYS 29 2HZ LYS 29 3.414 -10.447 10.019 254 3HZ LYS 29 3HZ LYS 29 2.735 -11.684 9.087 Start of MODEL 19 1 H TYR 1 H TYR 1 -10.520 14.219 4.989 2 HA TYR 1 HA TYR 1 -7.774 13.198 5.183 3 1HB TYR 1 1HB TYR 1 -10.150 12.152 3.636 4 2HB TYR 1 2HB TYR 1 -8.666 11.300 4.046 5 HD1 TYR 1 HD1 TYR 1 -8.256 11.361 6.774 6 HD2 TYR 1 HD2 TYR 1 -12.011 11.438 4.772 7 HE1 TYR 1 HE1 TYR 1 -9.341 10.453 8.784 8 HE2 TYR 1 HE2 TYR 1 -13.105 10.531 6.777 9 HH TYR 1 HH TYR 1 -12.287 10.649 9.533 10 H LYS 2 H LYS 2 -6.377 13.557 3.561 11 HA LYS 2 HA LYS 2 -7.248 15.291 1.377 12 1HB LYS 2 1HB LYS 2 -4.655 14.703 2.699 13 2HB LYS 2 2HB LYS 2 -4.602 15.144 0.998 14 1HG LYS 2 1HG LYS 2 -4.956 17.289 1.449 15 2HG LYS 2 2HG LYS 2 -6.314 16.920 2.512 16 1HD LYS 2 1HD LYS 2 -3.756 16.196 3.690 17 2HD LYS 2 2HD LYS 2 -3.846 17.910 3.281 18 1HE LYS 2 1HE LYS 2 -4.634 17.651 5.520 19 2HE LYS 2 2HE LYS 2 -6.022 18.012 4.497 20 1HZ LYS 2 1HZ LYS 2 -5.390 15.195 4.953 21 2HZ LYS 2 2HZ LYS 2 -6.892 15.955 4.791 22 3HZ LYS 2 3HZ LYS 2 -6.045 16.061 6.252 23 H PHE 3 H PHE 3 -5.231 12.357 1.751 24 HA PHE 3 HA PHE 3 -5.761 11.711 -1.058 25 1HB PHE 3 1HB PHE 3 -3.555 11.164 0.840 26 2HB PHE 3 2HB PHE 3 -3.931 9.891 -0.305 27 HD1 PHE 3 HD1 PHE 3 -2.708 13.311 0.094 28 HD2 PHE 3 HD2 PHE 3 -3.513 10.173 -2.666 29 HE1 PHE 3 HE1 PHE 3 -1.393 14.486 -1.620 30 HE2 PHE 3 HE2 PHE 3 -2.198 11.343 -4.386 31 HZ PHE 3 HZ PHE 3 -1.136 13.503 -3.863 32 H ALA 4 H ALA 4 -5.854 9.291 -1.508 33 HA ALA 4 HA ALA 4 -7.075 7.650 0.538 34 1HB ALA 4 1HB ALA 4 -9.145 7.246 -0.720 35 2HB ALA 4 2HB ALA 4 -8.666 8.472 -1.893 36 3HB ALA 4 3HB ALA 4 -9.000 8.932 -0.223 37 H CYS 5 H CYS 5 -6.899 5.464 0.096 38 HA CYS 5 HA CYS 5 -5.065 4.731 -1.974 39 1HB CYS 5 1HB CYS 5 -5.318 3.647 0.349 40 2HB CYS 5 2HB CYS 5 -6.671 2.770 -0.349 41 HG CYS 5 HG CYS 5 -3.829 2.480 -1.571 42 HA PRO 6 HA PRO 6 -8.071 3.815 -5.114 43 1HB PRO 6 1HB PRO 6 -6.453 2.571 -6.871 44 2HB PRO 6 2HB PRO 6 -6.362 4.311 -6.581 45 1HG PRO 6 1HG PRO 6 -4.625 2.120 -5.520 46 2HG PRO 6 2HG PRO 6 -4.164 3.722 -6.122 47 1HD PRO 6 1HD PRO 6 -4.394 3.099 -3.466 48 2HD PRO 6 2HD PRO 6 -4.609 4.736 -4.120 49 H GLU 7 H GLU 7 -6.269 1.405 -3.384 50 HA GLU 7 HA GLU 7 -7.893 -0.765 -4.497 51 1HB GLU 7 1HB GLU 7 -5.314 -0.853 -4.238 52 2HB GLU 7 2HB GLU 7 -5.647 -1.126 -2.533 53 1HG GLU 7 1HG GLU 7 -6.739 -3.163 -2.965 54 2HG GLU 7 2HG GLU 7 -6.852 -2.826 -4.692 55 H CYS 8 H CYS 8 -6.933 0.640 -1.357 56 HA CYS 8 HA CYS 8 -9.265 -0.695 -0.142 57 1HB CYS 8 1HB CYS 8 -8.113 -0.682 1.960 58 2HB CYS 8 2HB CYS 8 -7.028 -1.350 0.753 59 HG CYS 8 HG CYS 8 -5.412 0.378 1.340 60 HA PRO 9 HA PRO 9 -10.834 3.267 1.009 61 1HB PRO 9 1HB PRO 9 -12.267 2.702 3.190 62 2HB PRO 9 2HB PRO 9 -12.643 1.965 1.629 63 1HG PRO 9 1HG PRO 9 -11.293 0.788 4.003 64 2HG PRO 9 2HG PRO 9 -12.357 0.017 2.817 65 1HD PRO 9 1HD PRO 9 -9.532 -0.054 2.855 66 2HD PRO 9 2HD PRO 9 -10.585 -0.605 1.543 67 H LYS 10 H LYS 10 -8.078 3.126 1.932 68 HA LYS 10 HA LYS 10 -8.154 4.173 4.649 69 1HB LYS 10 1HB LYS 10 -5.829 3.623 2.797 70 2HB LYS 10 2HB LYS 10 -5.661 4.340 4.371 71 1HG LYS 10 1HG LYS 10 -5.541 1.660 3.782 72 2HG LYS 10 2HG LYS 10 -5.701 2.375 5.384 73 1HD LYS 10 1HD LYS 10 -8.180 2.273 5.107 74 2HD LYS 10 2HD LYS 10 -7.926 1.401 3.593 75 1HE LYS 10 1HE LYS 10 -6.648 -0.312 4.884 76 2HE LYS 10 2HE LYS 10 -7.119 0.524 6.363 77 1HZ LYS 10 1HZ LYS 10 -8.789 -1.012 4.489 78 2HZ LYS 10 2HZ LYS 10 -9.494 0.211 5.420 79 3HZ LYS 10 3HZ LYS 10 -8.725 -1.090 6.178 80 H ARG 11 H ARG 11 -7.037 6.198 5.154 81 HA ARG 11 HA ARG 11 -6.842 8.165 3.027 82 1HB ARG 11 1HB ARG 11 -8.309 9.558 4.944 83 2HB ARG 11 2HB ARG 11 -8.865 9.041 3.363 84 1HG ARG 11 1HG ARG 11 -10.494 8.306 4.876 85 2HG ARG 11 2HG ARG 11 -9.560 6.869 4.464 86 1HD ARG 11 1HD ARG 11 -8.645 6.700 6.545 87 2HD ARG 11 2HD ARG 11 -8.684 8.441 6.823 88 HE ARG 11 HE ARG 11 -11.308 7.716 6.809 89 1HH1 ARG 11 1HH1 ARG 11 -8.505 6.646 8.617 90 2HH1 ARG 11 2HH1 ARG 11 -9.424 6.211 10.017 91 1HH2 ARG 11 1HH2 ARG 11 -12.510 7.142 8.661 92 2HH2 ARG 11 2HH2 ARG 11 -11.695 6.491 10.043 93 H PHE 12 H PHE 12 -5.208 9.543 3.398 94 HA PHE 12 HA PHE 12 -4.318 9.977 6.165 95 1HB PHE 12 1HB PHE 12 -2.359 9.501 3.956 96 2HB PHE 12 2HB PHE 12 -2.045 9.531 5.675 97 HD1 PHE 12 HD1 PHE 12 -4.265 7.650 3.332 98 HD2 PHE 12 HD2 PHE 12 -1.549 7.487 6.601 99 HE1 PHE 12 HE1 PHE 12 -4.475 5.215 3.372 100 HE2 PHE 12 HE2 PHE 12 -1.760 5.033 6.650 101 HZ PHE 12 HZ PHE 12 -3.223 3.895 5.019 102 H MET 13 H MET 13 -3.043 11.873 6.496 103 HA MET 13 HA MET 13 -3.761 14.024 4.674 104 1HB MET 13 1HB MET 13 -2.963 15.529 6.419 105 2HB MET 13 2HB MET 13 -4.084 14.352 7.087 106 1HG MET 13 1HG MET 13 -1.966 13.025 7.714 107 2HG MET 13 2HG MET 13 -1.122 14.548 7.443 108 1HE MET 13 1HE MET 13 -2.502 12.407 10.176 109 2HE MET 13 2HE MET 13 -3.998 12.776 9.319 110 3HE MET 13 3HE MET 13 -3.751 13.374 10.960 111 H ARG 14 H ARG 14 -1.069 12.001 5.298 112 HA ARG 14 HA ARG 14 0.823 13.880 4.078 113 1HB ARG 14 1HB ARG 14 1.454 11.150 5.206 114 2HB ARG 14 2HB ARG 14 2.575 12.458 4.860 115 1HG ARG 14 1HG ARG 14 2.436 12.733 7.096 116 2HG ARG 14 2HG ARG 14 1.034 13.705 6.643 117 1HD ARG 14 1HD ARG 14 -0.247 12.385 7.887 118 2HD ARG 14 2HD ARG 14 0.147 11.037 6.818 119 HE ARG 14 HE ARG 14 2.088 11.592 8.893 120 1HH1 ARG 14 1HH1 ARG 14 -0.736 9.736 7.964 121 2HH1 ARG 14 2HH1 ARG 14 -0.452 8.493 9.134 122 1HH2 ARG 14 1HH2 ARG 14 2.455 9.950 10.428 123 2HH2 ARG 14 2HH2 ARG 14 1.358 8.613 10.533 124 H SER 15 H SER 15 2.229 13.116 2.352 125 HA SER 15 HA SER 15 0.758 11.419 0.487 126 1HB SER 15 1HB SER 15 1.286 13.137 -0.813 127 2HB SER 15 2HB SER 15 2.602 13.675 0.228 128 HG SER 15 HG SER 15 3.976 12.610 -0.977 129 H ASP 16 H ASP 16 4.106 11.775 1.684 130 HA ASP 16 HA ASP 16 5.006 9.360 0.487 131 1HB ASP 16 1HB ASP 16 7.068 9.705 1.688 132 2HB ASP 16 2HB ASP 16 6.506 11.254 1.079 133 H HIS 17 H HIS 17 3.903 10.163 3.768 134 HA HIS 17 HA HIS 17 4.479 7.617 4.888 135 1HB HIS 17 1HB HIS 17 2.629 9.846 5.726 136 2HB HIS 17 2HB HIS 17 2.771 8.350 6.639 137 HD1 HIS 17 HD1 HIS 17 3.597 10.146 8.518 138 HD2 HIS 17 HD2 HIS 17 6.179 9.405 5.353 139 HE1 HIS 17 HE1 HIS 17 5.837 10.978 9.275 140 HE2 HIS 17 HE2 HIS 17 7.375 10.585 7.319 141 H LEU 18 H LEU 18 1.600 8.999 3.349 142 HA LEU 18 HA LEU 18 -0.171 6.885 3.873 143 1HB LEU 18 1HB LEU 18 -0.858 9.073 3.030 144 2HB LEU 18 2HB LEU 18 -0.048 8.765 1.517 145 HG LEU 18 HG LEU 18 -2.258 6.982 2.470 146 1HD1 LEU 18 1HD1 LEU 18 -3.686 8.432 0.917 147 2HD1 LEU 18 2HD1 LEU 18 -2.439 9.660 1.155 148 3HD1 LEU 18 3HD1 LEU 18 -3.342 9.042 2.534 149 1HD2 LEU 18 1HD2 LEU 18 -0.632 7.254 0.085 150 2HD2 LEU 18 2HD2 LEU 18 -2.361 7.266 -0.265 151 3HD2 LEU 18 3HD2 LEU 18 -1.649 5.916 0.623 152 H THR 19 H THR 19 2.025 7.507 1.151 153 HA THR 19 HA THR 19 1.321 5.256 -0.345 154 HB THR 19 HB THR 19 3.985 6.695 -0.260 155 HG1 THR 19 HG1 THR 19 2.747 8.220 -1.029 156 1HG2 THR 19 1HG2 THR 19 2.821 4.830 -2.307 157 2HG2 THR 19 2HG2 THR 19 4.350 4.679 -1.439 158 3HG2 THR 19 3HG2 THR 19 4.142 5.948 -2.647 159 H LEU 20 H LEU 20 3.494 5.686 2.379 160 HA LEU 20 HA LEU 20 4.963 3.305 2.217 161 1HB LEU 20 1HB LEU 20 5.322 5.239 3.810 162 2HB LEU 20 2HB LEU 20 4.000 4.605 4.768 163 HG LEU 20 HG LEU 20 6.155 2.680 4.154 164 1HD1 LEU 20 1HD1 LEU 20 7.643 3.559 5.871 165 2HD1 LEU 20 2HD1 LEU 20 6.606 4.973 6.058 166 3HD1 LEU 20 3HD1 LEU 20 7.464 4.704 4.541 167 1HD2 LEU 20 1HD2 LEU 20 4.423 1.936 5.570 168 2HD2 LEU 20 2HD2 LEU 20 4.475 3.410 6.537 169 3HD2 LEU 20 3HD2 LEU 20 5.800 2.250 6.627 170 H HIS 21 H HIS 21 1.732 3.994 3.409 171 HA HIS 21 HA HIS 21 1.184 1.544 4.661 172 1HB HIS 21 1HB HIS 21 -0.758 2.586 5.098 173 2HB HIS 21 2HB HIS 21 -0.168 3.962 4.211 174 HD1 HIS 21 HD1 HIS 21 -1.973 4.765 2.693 175 HD2 HIS 21 HD2 HIS 21 -1.855 0.633 2.898 176 HE1 HIS 21 HE1 HIS 21 -3.840 3.915 1.217 177 H ILE 22 H ILE 22 0.487 2.717 1.413 178 HA ILE 22 HA ILE 22 -0.823 0.464 0.438 179 HB ILE 22 HB ILE 22 0.831 2.297 -1.290 180 1HG1 ILE 22 1HG1 ILE 22 -2.034 2.872 -0.752 181 2HG1 ILE 22 2HG1 ILE 22 -0.899 3.297 0.509 182 1HG2 ILE 22 1HG2 ILE 22 -0.530 0.133 -2.051 183 2HG2 ILE 22 2HG2 ILE 22 -0.433 1.586 -3.045 184 3HG2 ILE 22 3HG2 ILE 22 -1.855 1.296 -2.041 185 1HD1 ILE 22 1HD1 ILE 22 -0.516 5.173 -0.561 186 2HD1 ILE 22 2HD1 ILE 22 -1.518 4.656 -1.913 187 3HD1 ILE 22 3HD1 ILE 22 0.197 4.246 -1.878 188 H LEU 23 H LEU 23 2.536 0.838 1.081 189 HA LEU 23 HA LEU 23 3.662 -0.865 -0.828 190 1HB LEU 23 1HB LEU 23 4.498 0.401 1.573 191 2HB LEU 23 2HB LEU 23 4.948 -1.289 1.680 192 HG LEU 23 HG LEU 23 5.623 0.186 -0.820 193 1HD1 LEU 23 1HD1 LEU 23 6.302 1.728 0.947 194 2HD1 LEU 23 2HD1 LEU 23 7.701 1.000 0.158 195 3HD1 LEU 23 3HD1 LEU 23 7.189 0.429 1.746 196 1HD2 LEU 23 1HD2 LEU 23 6.053 -2.211 -0.641 197 2HD2 LEU 23 2HD2 LEU 23 7.030 -1.936 0.801 198 3HD2 LEU 23 3HD2 LEU 23 7.560 -1.302 -0.757 199 H LEU 24 H LEU 24 1.798 -1.572 2.069 200 HA LEU 24 HA LEU 24 2.490 -4.304 2.290 201 1HB LEU 24 1HB LEU 24 0.976 -4.417 3.990 202 2HB LEU 24 2HB LEU 24 1.302 -2.701 3.960 203 HG LEU 24 HG LEU 24 -0.985 -2.777 4.237 204 1HD1 LEU 24 1HD1 LEU 24 -1.566 -2.755 1.431 205 2HD1 LEU 24 2HD1 LEU 24 -0.082 -1.870 1.765 206 3HD1 LEU 24 3HD1 LEU 24 -1.573 -1.430 2.592 207 1HD2 LEU 24 1HD2 LEU 24 -0.859 -5.353 3.513 208 2HD2 LEU 24 2HD2 LEU 24 -1.657 -4.681 2.091 209 3HD2 LEU 24 3HD2 LEU 24 -2.372 -4.464 3.687 210 H HIS 25 H HIS 25 0.438 -2.674 0.051 211 HA HIS 25 HA HIS 25 -1.257 -4.905 -0.556 212 1HB HIS 25 1HB HIS 25 -0.690 -2.324 -2.028 213 2HB HIS 25 2HB HIS 25 -1.837 -3.531 -2.597 214 HD1 HIS 25 HD1 HIS 25 -3.588 -4.175 -0.334 215 HD2 HIS 25 HD2 HIS 25 -2.021 -0.358 -0.815 216 HE1 HIS 25 HE1 HIS 25 -5.087 -2.619 0.982 217 H GLU 26 H GLU 26 1.674 -3.497 -1.969 218 HA GLU 26 HA GLU 26 1.826 -5.276 -4.179 219 1HB GLU 26 1HB GLU 26 3.684 -3.340 -2.869 220 2HB GLU 26 2HB GLU 26 4.365 -4.531 -3.968 221 1HG GLU 26 1HG GLU 26 2.872 -3.749 -5.738 222 2HG GLU 26 2HG GLU 26 2.198 -2.551 -4.635 223 H ASN 27 H ASN 27 3.176 -5.312 -0.910 224 HA ASN 27 HA ASN 27 4.871 -7.540 -1.216 225 1HB ASN 27 1HB ASN 27 3.474 -6.491 1.255 226 2HB ASN 27 2HB ASN 27 4.757 -7.695 1.268 227 1HD2 ASN 27 1HD2 ASN 27 4.537 -4.921 2.370 228 2HD2 ASN 27 2HD2 ASN 27 5.934 -4.102 1.771 229 H LYS 28 H LYS 28 1.482 -7.288 -0.172 230 HA LYS 28 HA LYS 28 1.207 -10.114 0.250 231 1HB LYS 28 1HB LYS 28 -0.131 -8.277 1.406 232 2HB LYS 28 2HB LYS 28 -1.043 -8.134 -0.090 233 1HG LYS 28 1HG LYS 28 -1.774 -10.435 0.100 234 2HG LYS 28 2HG LYS 28 -0.795 -10.646 1.553 235 1HD LYS 28 1HD LYS 28 -2.180 -8.628 2.446 236 2HD LYS 28 2HD LYS 28 -3.313 -9.076 1.169 237 1HE LYS 28 1HE LYS 28 -3.175 -11.443 2.130 238 2HE LYS 28 2HE LYS 28 -2.412 -10.698 3.533 239 1HZ LYS 28 1HZ LYS 28 -5.119 -10.086 2.475 240 2HZ LYS 28 2HZ LYS 28 -4.387 -9.287 3.774 241 3HZ LYS 28 3HZ LYS 28 -4.765 -10.931 3.897 242 H LYS 29 H LYS 29 0.792 -11.628 -1.219 243 HA LYS 29 HA LYS 29 0.182 -10.819 -3.956 244 1HB LYS 29 1HB LYS 29 2.042 -12.428 -3.432 245 2HB LYS 29 2HB LYS 29 0.822 -13.585 -2.920 246 1HG LYS 29 1HG LYS 29 0.383 -12.467 -5.591 247 2HG LYS 29 2HG LYS 29 1.859 -13.418 -5.422 248 1HD LYS 29 1HD LYS 29 0.606 -15.307 -4.607 249 2HD LYS 29 2HD LYS 29 -0.882 -14.359 -4.584 250 1HE LYS 29 1HE LYS 29 -1.263 -15.158 -6.631 251 2HE LYS 29 2HE LYS 29 0.016 -14.074 -7.176 252 1HZ LYS 29 1HZ LYS 29 1.612 -15.867 -6.868 253 2HZ LYS 29 2HZ LYS 29 0.391 -16.329 -7.942 254 3HZ LYS 29 3HZ LYS 29 0.379 -16.906 -6.352 Start of MODEL 20 1 H TYR 1 H TYR 1 -9.344 13.930 5.853 2 HA TYR 1 HA TYR 1 -6.492 13.549 5.269 3 1HB TYR 1 1HB TYR 1 -8.943 11.817 4.863 4 2HB TYR 1 2HB TYR 1 -7.280 11.351 4.522 5 HD1 TYR 1 HD1 TYR 1 -9.873 11.333 6.938 6 HD2 TYR 1 HD2 TYR 1 -5.639 11.399 6.537 7 HE1 TYR 1 HE1 TYR 1 -9.650 10.487 9.235 8 HE2 TYR 1 HE2 TYR 1 -5.403 10.551 8.832 9 HH TYR 1 HH TYR 1 -7.389 10.729 11.075 10 H LYS 2 H LYS 2 -5.761 14.044 3.305 11 HA LYS 2 HA LYS 2 -7.653 15.052 1.320 12 1HB LYS 2 1HB LYS 2 -4.724 15.387 1.797 13 2HB LYS 2 2HB LYS 2 -5.347 15.630 0.171 14 1HG LYS 2 1HG LYS 2 -7.065 17.059 1.858 15 2HG LYS 2 2HG LYS 2 -5.431 17.384 2.441 16 1HD LYS 2 1HD LYS 2 -5.387 17.492 -0.399 17 2HD LYS 2 2HD LYS 2 -6.753 18.458 0.162 18 1HE LYS 2 1HE LYS 2 -5.328 19.779 1.560 19 2HE LYS 2 2HE LYS 2 -3.955 18.717 1.250 20 1HZ LYS 2 1HZ LYS 2 -5.318 20.405 -0.782 21 2HZ LYS 2 2HZ LYS 2 -3.981 19.405 -1.062 22 3HZ LYS 2 3HZ LYS 2 -3.831 20.753 -0.052 23 H PHE 3 H PHE 3 -5.048 12.639 1.596 24 HA PHE 3 HA PHE 3 -5.562 11.680 -1.089 25 1HB PHE 3 1HB PHE 3 -3.526 11.065 1.028 26 2HB PHE 3 2HB PHE 3 -3.735 10.008 -0.349 27 HD1 PHE 3 HD1 PHE 3 -2.887 13.457 0.648 28 HD2 PHE 3 HD2 PHE 3 -2.816 10.542 -2.453 29 HE1 PHE 3 HE1 PHE 3 -1.411 14.910 -0.679 30 HE2 PHE 3 HE2 PHE 3 -1.340 11.991 -3.785 31 HZ PHE 3 HZ PHE 3 -0.635 14.177 -2.898 32 H ALA 4 H ALA 4 -5.765 9.333 -1.467 33 HA ALA 4 HA ALA 4 -6.954 7.723 0.626 34 1HB ALA 4 1HB ALA 4 -9.035 7.299 -0.604 35 2HB ALA 4 2HB ALA 4 -8.565 8.500 -1.807 36 3HB ALA 4 3HB ALA 4 -8.885 8.995 -0.145 37 H CYS 5 H CYS 5 -6.957 5.497 0.133 38 HA CYS 5 HA CYS 5 -5.065 4.739 -1.899 39 1HB CYS 5 1HB CYS 5 -5.329 3.684 0.436 40 2HB CYS 5 2HB CYS 5 -6.681 2.806 -0.258 41 HG CYS 5 HG CYS 5 -3.803 2.487 -1.391 42 HA PRO 6 HA PRO 6 -8.072 3.764 -5.024 43 1HB PRO 6 1HB PRO 6 -6.452 2.527 -6.775 44 2HB PRO 6 2HB PRO 6 -6.350 4.268 -6.483 45 1HG PRO 6 1HG PRO 6 -4.633 2.063 -5.409 46 2HG PRO 6 2HG PRO 6 -4.155 3.655 -6.026 47 1HD PRO 6 1HD PRO 6 -4.397 3.060 -3.365 48 2HD PRO 6 2HD PRO 6 -4.594 4.693 -4.033 49 H GLU 7 H GLU 7 -6.224 1.386 -3.285 50 HA GLU 7 HA GLU 7 -7.803 -0.828 -4.369 51 1HB GLU 7 1HB GLU 7 -5.172 -0.557 -3.068 52 2HB GLU 7 2HB GLU 7 -6.102 -1.961 -2.565 53 1HG GLU 7 1HG GLU 7 -6.233 -2.764 -4.809 54 2HG GLU 7 2HG GLU 7 -5.518 -1.278 -5.434 55 H CYS 8 H CYS 8 -6.876 0.590 -1.223 56 HA CYS 8 HA CYS 8 -9.214 -0.742 -0.018 57 1HB CYS 8 1HB CYS 8 -8.065 -0.691 2.086 58 2HB CYS 8 2HB CYS 8 -6.968 -1.351 0.886 59 HG CYS 8 HG CYS 8 -5.396 0.467 1.337 60 HA PRO 9 HA PRO 9 -10.847 3.207 1.087 61 1HB PRO 9 1HB PRO 9 -12.215 2.673 3.322 62 2HB PRO 9 2HB PRO 9 -12.629 1.916 1.781 63 1HG PRO 9 1HG PRO 9 -11.225 0.771 4.136 64 2HG PRO 9 2HG PRO 9 -12.300 -0.020 2.972 65 1HD PRO 9 1HD PRO 9 -9.475 -0.065 2.976 66 2HD PRO 9 2HD PRO 9 -10.539 -0.645 1.685 67 H LYS 10 H LYS 10 -8.050 2.964 2.046 68 HA LYS 10 HA LYS 10 -8.086 4.158 4.688 69 1HB LYS 10 1HB LYS 10 -5.756 3.600 2.838 70 2HB LYS 10 2HB LYS 10 -5.624 4.198 4.466 71 1HG LYS 10 1HG LYS 10 -7.048 1.632 3.945 72 2HG LYS 10 2HG LYS 10 -5.286 1.683 4.015 73 1HD LYS 10 1HD LYS 10 -5.701 1.277 6.213 74 2HD LYS 10 2HD LYS 10 -5.813 3.037 6.248 75 1HE LYS 10 1HE LYS 10 -8.080 3.026 6.504 76 2HE LYS 10 2HE LYS 10 -8.282 1.517 5.617 77 1HZ LYS 10 1HZ LYS 10 -7.437 0.312 7.524 78 2HZ LYS 10 2HZ LYS 10 -8.766 1.256 7.975 79 3HZ LYS 10 3HZ LYS 10 -7.201 1.756 8.374 80 H ARG 11 H ARG 11 -7.026 6.190 5.129 81 HA ARG 11 HA ARG 11 -6.807 8.091 2.934 82 1HB ARG 11 1HB ARG 11 -8.291 9.722 4.170 83 2HB ARG 11 2HB ARG 11 -9.119 8.369 3.417 84 1HG ARG 11 1HG ARG 11 -8.920 7.257 5.744 85 2HG ARG 11 2HG ARG 11 -8.619 8.898 6.316 86 1HD ARG 11 1HD ARG 11 -10.792 9.350 6.257 87 2HD ARG 11 2HD ARG 11 -10.860 8.928 4.547 88 HE ARG 11 HE ARG 11 -10.867 6.566 6.067 89 1HH1 ARG 11 1HH1 ARG 11 -12.940 9.303 5.373 90 2HH1 ARG 11 2HH1 ARG 11 -14.403 8.414 5.626 91 1HH2 ARG 11 1HH2 ARG 11 -12.798 5.402 6.403 92 2HH2 ARG 11 2HH2 ARG 11 -14.325 6.199 6.211 93 H PHE 12 H PHE 12 -5.183 9.506 3.280 94 HA PHE 12 HA PHE 12 -4.269 9.939 6.039 95 1HB PHE 12 1HB PHE 12 -2.365 9.439 3.783 96 2HB PHE 12 2HB PHE 12 -1.987 9.534 5.488 97 HD1 PHE 12 HD1 PHE 12 -4.294 7.554 3.311 98 HD2 PHE 12 HD2 PHE 12 -1.429 7.525 6.456 99 HE1 PHE 12 HE1 PHE 12 -4.483 5.122 3.447 100 HE2 PHE 12 HE2 PHE 12 -1.621 5.074 6.600 101 HZ PHE 12 HZ PHE 12 -3.150 3.869 5.079 102 H MET 13 H MET 13 -3.150 11.871 6.426 103 HA MET 13 HA MET 13 -3.885 14.037 4.665 104 1HB MET 13 1HB MET 13 -2.477 13.921 7.330 105 2HB MET 13 2HB MET 13 -2.685 15.423 6.441 106 1HG MET 13 1HG MET 13 -5.045 13.701 7.061 107 2HG MET 13 2HG MET 13 -4.377 14.778 8.284 108 1HE MET 13 1HE MET 13 -7.293 15.849 7.933 109 2HE MET 13 2HE MET 13 -6.717 17.509 7.770 110 3HE MET 13 3HE MET 13 -5.855 16.373 8.808 111 H ARG 14 H ARG 14 -1.078 12.098 5.265 112 HA ARG 14 HA ARG 14 0.670 13.972 3.842 113 1HB ARG 14 1HB ARG 14 1.307 11.419 5.334 114 2HB ARG 14 2HB ARG 14 2.496 12.451 4.554 115 1HG ARG 14 1HG ARG 14 2.435 13.999 6.199 116 2HG ARG 14 2HG ARG 14 0.716 13.756 6.516 117 1HD ARG 14 1HD ARG 14 1.333 12.633 8.339 118 2HD ARG 14 2HD ARG 14 1.872 11.353 7.251 119 HE ARG 14 HE ARG 14 4.090 12.165 7.440 120 1HH1 ARG 14 1HH1 ARG 14 1.852 13.844 9.558 121 2HH1 ARG 14 2HH1 ARG 14 3.100 14.439 10.596 122 1HH2 ARG 14 1HH2 ARG 14 5.719 12.957 8.816 123 2HH2 ARG 14 2HH2 ARG 14 5.292 13.939 10.177 124 H SER 15 H SER 15 2.074 13.138 2.142 125 HA SER 15 HA SER 15 0.630 11.266 0.428 126 1HB SER 15 1HB SER 15 1.093 12.876 -1.023 127 2HB SER 15 2HB SER 15 2.362 13.572 -0.019 128 HG SER 15 HG SER 15 2.523 11.695 -2.066 129 H ASP 16 H ASP 16 3.902 11.782 1.732 130 HA ASP 16 HA ASP 16 5.004 9.413 0.626 131 1HB ASP 16 1HB ASP 16 6.113 11.590 1.719 132 2HB ASP 16 2HB ASP 16 6.170 10.521 3.115 133 H HIS 17 H HIS 17 3.835 10.187 3.911 134 HA HIS 17 HA HIS 17 4.337 7.659 5.033 135 1HB HIS 17 1HB HIS 17 2.584 9.964 5.745 136 2HB HIS 17 2HB HIS 17 2.283 8.424 6.535 137 HD1 HIS 17 HD1 HIS 17 3.000 9.673 8.755 138 HD2 HIS 17 HD2 HIS 17 6.010 9.177 5.935 139 HE1 HIS 17 HE1 HIS 17 5.145 10.119 9.975 140 HE2 HIS 17 HE2 HIS 17 6.961 9.726 8.276 141 H LEU 18 H LEU 18 1.493 8.956 3.362 142 HA LEU 18 HA LEU 18 -0.246 6.799 3.767 143 1HB LEU 18 1HB LEU 18 -0.848 9.020 2.837 144 2HB LEU 18 2HB LEU 18 -0.055 8.584 1.345 145 HG LEU 18 HG LEU 18 -2.271 6.884 2.411 146 1HD1 LEU 18 1HD1 LEU 18 -2.453 9.580 1.192 147 2HD1 LEU 18 2HD1 LEU 18 -3.472 8.824 2.413 148 3HD1 LEU 18 3HD1 LEU 18 -3.639 8.363 0.720 149 1HD2 LEU 18 1HD2 LEU 18 -2.439 7.102 -0.326 150 2HD2 LEU 18 2HD2 LEU 18 -1.712 5.768 0.577 151 3HD2 LEU 18 3HD2 LEU 18 -0.703 7.090 -0.017 152 H THR 19 H THR 19 2.053 7.463 1.133 153 HA THR 19 HA THR 19 1.492 5.170 -0.361 154 HB THR 19 HB THR 19 4.090 6.718 -0.177 155 HG1 THR 19 HG1 THR 19 2.822 8.164 -1.043 156 1HG2 THR 19 1HG2 THR 19 4.612 4.699 -1.288 157 2HG2 THR 19 2HG2 THR 19 4.404 5.929 -2.535 158 3HG2 THR 19 3HG2 THR 19 3.123 4.754 -2.232 159 H LEU 20 H LEU 20 3.540 5.701 2.442 160 HA LEU 20 HA LEU 20 5.083 3.362 2.360 161 1HB LEU 20 1HB LEU 20 5.308 5.352 3.934 162 2HB LEU 20 2HB LEU 20 4.015 4.640 4.876 163 HG LEU 20 HG LEU 20 6.230 2.796 4.320 164 1HD1 LEU 20 1HD1 LEU 20 7.761 3.801 5.924 165 2HD1 LEU 20 2HD1 LEU 20 6.698 5.200 6.078 166 3HD1 LEU 20 3HD1 LEU 20 7.504 4.869 4.544 167 1HD2 LEU 20 1HD2 LEU 20 4.391 2.276 5.840 168 2HD2 LEU 20 2HD2 LEU 20 4.824 3.660 6.846 169 3HD2 LEU 20 3HD2 LEU 20 5.935 2.299 6.691 170 H HIS 21 H HIS 21 1.796 3.977 3.444 171 HA HIS 21 HA HIS 21 1.286 1.513 4.707 172 1HB HIS 21 1HB HIS 21 -0.669 2.542 5.131 173 2HB HIS 21 2HB HIS 21 -0.118 3.908 4.203 174 HD1 HIS 21 HD1 HIS 21 -2.022 4.616 2.748 175 HD2 HIS 21 HD2 HIS 21 -1.630 0.501 2.883 176 HE1 HIS 21 HE1 HIS 21 -3.839 3.666 1.272 177 H ILE 22 H ILE 22 0.587 2.666 1.453 178 HA ILE 22 HA ILE 22 -0.689 0.414 0.492 179 HB ILE 22 HB ILE 22 1.007 2.193 -1.249 180 1HG1 ILE 22 1HG1 ILE 22 -1.864 2.784 -0.771 181 2HG1 ILE 22 2HG1 ILE 22 -0.758 3.220 0.511 182 1HG2 ILE 22 1HG2 ILE 22 -1.672 1.231 -2.040 183 2HG2 ILE 22 2HG2 ILE 22 -0.403 0.010 -1.950 184 3HG2 ILE 22 3HG2 ILE 22 -0.204 1.411 -3.002 185 1HD1 ILE 22 1HD1 ILE 22 -0.388 5.094 -0.571 186 2HD1 ILE 22 2HD1 ILE 22 -1.296 4.530 -1.972 187 3HD1 ILE 22 3HD1 ILE 22 0.421 4.156 -1.824 188 H LEU 23 H LEU 23 2.585 0.581 1.373 189 HA LEU 23 HA LEU 23 3.829 -1.079 -0.488 190 1HB LEU 23 1HB LEU 23 4.293 -0.319 2.317 191 2HB LEU 23 2HB LEU 23 4.948 -1.884 1.879 192 HG LEU 23 HG LEU 23 5.991 -0.589 -0.137 193 1HD1 LEU 23 1HD1 LEU 23 5.811 1.671 1.832 194 2HD1 LEU 23 2HD1 LEU 23 4.684 1.495 0.486 195 3HD1 LEU 23 3HD1 LEU 23 6.408 1.702 0.173 196 1HD2 LEU 23 1HD2 LEU 23 7.016 -0.287 2.683 197 2HD2 LEU 23 2HD2 LEU 23 7.976 -0.113 1.213 198 3HD2 LEU 23 3HD2 LEU 23 7.270 -1.675 1.625 199 H LEU 24 H LEU 24 1.635 -1.818 2.185 200 HA LEU 24 HA LEU 24 1.987 -4.592 2.327 201 1HB LEU 24 1HB LEU 24 -0.461 -4.627 3.054 202 2HB LEU 24 2HB LEU 24 0.665 -3.700 4.023 203 HG LEU 24 HG LEU 24 -0.283 -1.801 2.284 204 1HD1 LEU 24 1HD1 LEU 24 -1.959 -3.469 1.464 205 2HD1 LEU 24 2HD1 LEU 24 -2.642 -1.978 2.117 206 3HD1 LEU 24 3HD1 LEU 24 -2.661 -3.457 3.082 207 1HD2 LEU 24 1HD2 LEU 24 0.053 -1.753 4.776 208 2HD2 LEU 24 2HD2 LEU 24 -1.550 -2.472 4.926 209 3HD2 LEU 24 3HD2 LEU 24 -1.362 -0.883 4.184 210 H HIS 25 H HIS 25 -0.081 -2.676 0.175 211 HA HIS 25 HA HIS 25 -1.438 -4.795 -1.066 212 1HB HIS 25 1HB HIS 25 -0.704 -2.057 -2.123 213 2HB HIS 25 2HB HIS 25 -1.786 -3.170 -2.949 214 HD1 HIS 25 HD1 HIS 25 -3.928 -3.931 -1.274 215 HD2 HIS 25 HD2 HIS 25 -1.996 -0.326 -0.557 216 HE1 HIS 25 HE1 HIS 25 -5.516 -2.539 0.119 217 H GLU 26 H GLU 26 1.546 -3.102 -2.030 218 HA GLU 26 HA GLU 26 2.028 -4.579 -4.374 219 1HB GLU 26 1HB GLU 26 3.142 -2.393 -3.451 220 2HB GLU 26 2HB GLU 26 4.277 -3.508 -2.703 221 1HG GLU 26 1HG GLU 26 3.665 -3.447 -5.649 222 2HG GLU 26 2HG GLU 26 5.008 -2.589 -4.896 223 H ASN 27 H ASN 27 3.420 -4.960 -1.108 224 HA ASN 27 HA ASN 27 3.734 -7.824 -1.635 225 1HB ASN 27 1HB ASN 27 5.905 -6.464 -2.026 226 2HB ASN 27 2HB ASN 27 5.942 -6.301 -0.273 227 1HD2 ASN 27 1HD2 ASN 27 6.289 -8.454 -2.963 228 2HD2 ASN 27 2HD2 ASN 27 6.923 -9.793 -2.075 229 H LYS 28 H LYS 28 2.651 -8.854 -0.099 230 HA LYS 28 HA LYS 28 2.201 -7.576 2.482 231 1HB LYS 28 1HB LYS 28 0.719 -9.360 0.827 232 2HB LYS 28 2HB LYS 28 1.024 -10.175 2.354 233 1HG LYS 28 1HG LYS 28 0.173 -8.030 3.459 234 2HG LYS 28 2HG LYS 28 -0.448 -7.614 1.861 235 1HD LYS 28 1HD LYS 28 -1.671 -9.777 1.833 236 2HD LYS 28 2HD LYS 28 -1.132 -10.059 3.489 237 1HE LYS 28 1HE LYS 28 -2.221 -7.497 3.524 238 2HE LYS 28 2HE LYS 28 -3.313 -8.432 2.503 239 1HZ LYS 28 1HZ LYS 28 -3.482 -10.076 4.287 240 2HZ LYS 28 2HZ LYS 28 -3.996 -8.548 4.800 241 3HZ LYS 28 3HZ LYS 28 -2.478 -9.130 5.268 242 H LYS 29 H LYS 29 3.965 -7.777 3.753 243 HA LYS 29 HA LYS 29 4.711 -10.475 4.576 244 1HB LYS 29 1HB LYS 29 6.291 -9.107 2.761 245 2HB LYS 29 2HB LYS 29 7.070 -8.773 4.302 246 1HG LYS 29 1HG LYS 29 6.329 -11.569 3.530 247 2HG LYS 29 2HG LYS 29 7.821 -10.825 2.950 248 1HD LYS 29 1HD LYS 29 8.208 -10.255 5.456 249 2HD LYS 29 2HD LYS 29 7.014 -11.522 5.749 250 1HE LYS 29 1HE LYS 29 9.360 -12.020 3.956 251 2HE LYS 29 2HE LYS 29 9.533 -12.133 5.706 252 1HZ LYS 29 1HZ LYS 29 7.612 -13.683 4.049 253 2HZ LYS 29 2HZ LYS 29 7.763 -13.787 5.731 254 3HZ LYS 29 3HZ LYS 29 9.038 -14.283 4.736 Start of MODEL 21 1 H TYR 1 H TYR 1 -8.554 12.707 6.885 2 HA TYR 1 HA TYR 1 -7.673 11.341 4.950 3 1HB TYR 1 1HB TYR 1 -9.951 10.921 4.276 4 2HB TYR 1 2HB TYR 1 -9.950 11.294 5.995 5 HD1 TYR 1 HD1 TYR 1 -11.519 11.941 2.925 6 HD2 TYR 1 HD2 TYR 1 -10.401 13.850 6.560 7 HE1 TYR 1 HE1 TYR 1 -13.219 13.670 2.532 8 HE2 TYR 1 HE2 TYR 1 -12.099 15.584 6.177 9 HH TYR 1 HH TYR 1 -13.361 16.372 3.521 10 H LYS 2 H LYS 2 -6.374 13.673 4.248 11 HA LYS 2 HA LYS 2 -7.404 15.108 2.092 12 1HB LYS 2 1HB LYS 2 -4.623 14.468 3.005 13 2HB LYS 2 2HB LYS 2 -4.870 15.309 1.481 14 1HG LYS 2 1HG LYS 2 -6.187 17.024 2.722 15 2HG LYS 2 2HG LYS 2 -5.712 16.221 4.220 16 1HD LYS 2 1HD LYS 2 -3.408 16.691 3.833 17 2HD LYS 2 2HD LYS 2 -3.733 17.238 2.188 18 1HE LYS 2 1HE LYS 2 -5.044 18.609 4.498 19 2HE LYS 2 2HE LYS 2 -3.367 18.976 4.103 20 1HZ LYS 2 1HZ LYS 2 -4.883 20.506 3.018 21 2HZ LYS 2 2HZ LYS 2 -5.674 19.226 2.248 22 3HZ LYS 2 3HZ LYS 2 -4.065 19.577 1.866 23 H PHE 3 H PHE 3 -5.315 12.206 2.018 24 HA PHE 3 HA PHE 3 -5.949 11.889 -0.827 25 1HB PHE 3 1HB PHE 3 -3.670 11.126 0.907 26 2HB PHE 3 2HB PHE 3 -4.099 9.995 -0.362 27 HD1 PHE 3 HD1 PHE 3 -4.076 10.751 -2.743 28 HD2 PHE 3 HD2 PHE 3 -2.548 13.141 0.431 29 HE1 PHE 3 HE1 PHE 3 -2.829 12.110 -4.370 30 HE2 PHE 3 HE2 PHE 3 -1.299 14.503 -1.192 31 HZ PHE 3 HZ PHE 3 -1.438 13.989 -3.597 32 H ALA 4 H ALA 4 -6.020 9.496 -1.521 33 HA ALA 4 HA ALA 4 -7.282 7.719 0.402 34 1HB ALA 4 1HB ALA 4 -8.736 8.664 -2.067 35 2HB ALA 4 2HB ALA 4 -9.181 8.997 -0.394 36 3HB ALA 4 3HB ALA 4 -9.263 7.350 -1.015 37 H CYS 5 H CYS 5 -6.971 5.579 -0.076 38 HA CYS 5 HA CYS 5 -5.084 4.955 -2.144 39 1HB CYS 5 1HB CYS 5 -5.361 3.855 0.204 40 2HB CYS 5 2HB CYS 5 -6.579 2.867 -0.589 41 HG CYS 5 HG CYS 5 -4.820 1.561 -1.703 42 HA PRO 6 HA PRO 6 -8.041 3.908 -5.293 43 1HB PRO 6 1HB PRO 6 -6.384 2.682 -7.029 44 2HB PRO 6 2HB PRO 6 -6.334 4.429 -6.761 45 1HG PRO 6 1HG PRO 6 -4.562 2.289 -5.648 46 2HG PRO 6 2HG PRO 6 -4.123 3.883 -6.286 47 1HD PRO 6 1HD PRO 6 -4.345 3.335 -3.621 48 2HD PRO 6 2HD PRO 6 -4.622 4.946 -4.317 49 H GLU 7 H GLU 7 -6.163 1.561 -3.547 50 HA GLU 7 HA GLU 7 -7.697 -0.670 -4.645 51 1HB GLU 7 1HB GLU 7 -5.103 -0.373 -3.225 52 2HB GLU 7 2HB GLU 7 -6.000 -1.856 -2.946 53 1HG GLU 7 1HG GLU 7 -4.497 -2.285 -4.714 54 2HG GLU 7 2HG GLU 7 -6.100 -2.151 -5.434 55 H CYS 8 H CYS 8 -6.821 0.764 -1.493 56 HA CYS 8 HA CYS 8 -9.148 -0.609 -0.310 57 1HB CYS 8 1HB CYS 8 -8.010 -0.611 1.793 58 2HB CYS 8 2HB CYS 8 -6.894 -1.227 0.586 59 HG CYS 8 HG CYS 8 -5.398 0.714 0.933 60 HA PRO 9 HA PRO 9 -10.759 3.332 0.882 61 1HB PRO 9 1HB PRO 9 -12.185 2.733 3.057 62 2HB PRO 9 2HB PRO 9 -12.556 2.004 1.491 63 1HG PRO 9 1HG PRO 9 -11.189 0.822 3.853 64 2HG PRO 9 2HG PRO 9 -12.250 0.050 2.665 65 1HD PRO 9 1HD PRO 9 -9.423 0.005 2.694 66 2HD PRO 9 2HD PRO 9 -10.474 -0.547 1.381 67 H LYS 10 H LYS 10 -7.992 3.100 1.839 68 HA LYS 10 HA LYS 10 -8.051 4.137 4.549 69 1HB LYS 10 1HB LYS 10 -5.714 3.673 2.686 70 2HB LYS 10 2HB LYS 10 -5.583 4.197 4.340 71 1HG LYS 10 1HG LYS 10 -6.974 1.644 3.651 72 2HG LYS 10 2HG LYS 10 -5.220 1.721 3.828 73 1HD LYS 10 1HD LYS 10 -5.663 1.275 5.990 74 2HD LYS 10 2HD LYS 10 -6.015 3.002 6.080 75 1HE LYS 10 1HE LYS 10 -7.840 1.883 7.098 76 2HE LYS 10 2HE LYS 10 -8.403 2.432 5.522 77 1HZ LYS 10 1HZ LYS 10 -9.039 0.113 6.126 78 2HZ LYS 10 2HZ LYS 10 -7.406 -0.317 6.027 79 3HZ LYS 10 3HZ LYS 10 -8.215 0.249 4.653 80 H ARG 11 H ARG 11 -6.996 6.143 5.111 81 HA ARG 11 HA ARG 11 -6.795 8.160 3.013 82 1HB ARG 11 1HB ARG 11 -8.285 9.717 4.158 83 2HB ARG 11 2HB ARG 11 -9.146 8.247 3.727 84 1HG ARG 11 1HG ARG 11 -8.467 7.553 6.187 85 2HG ARG 11 2HG ARG 11 -8.406 9.303 6.401 86 1HD ARG 11 1HD ARG 11 -10.742 9.172 5.166 87 2HD ARG 11 2HD ARG 11 -10.724 7.532 5.814 88 HE ARG 11 HE ARG 11 -10.073 9.281 7.889 89 1HH1 ARG 11 1HH1 ARG 11 -12.817 8.543 5.846 90 2HH1 ARG 11 2HH1 ARG 11 -13.985 9.023 7.030 91 1HH2 ARG 11 1HH2 ARG 11 -11.613 9.907 9.448 92 2HH2 ARG 11 2HH2 ARG 11 -13.301 9.798 9.076 93 H PHE 12 H PHE 12 -5.169 9.570 3.390 94 HA PHE 12 HA PHE 12 -4.147 9.824 6.133 95 1HB PHE 12 1HB PHE 12 -2.336 9.450 3.776 96 2HB PHE 12 2HB PHE 12 -1.883 9.472 5.466 97 HD1 PHE 12 HD1 PHE 12 -4.256 7.583 3.284 98 HD2 PHE 12 HD2 PHE 12 -1.302 7.427 6.342 99 HE1 PHE 12 HE1 PHE 12 -4.441 5.145 3.326 100 HE2 PHE 12 HE2 PHE 12 -1.488 4.971 6.390 101 HZ PHE 12 HZ PHE 12 -3.059 3.829 4.866 102 H MET 13 H MET 13 -3.129 11.746 6.639 103 HA MET 13 HA MET 13 -3.854 14.001 4.998 104 1HB MET 13 1HB MET 13 -2.424 13.759 7.646 105 2HB MET 13 2HB MET 13 -2.704 15.302 6.851 106 1HG MET 13 1HG MET 13 -5.109 14.928 6.949 107 2HG MET 13 2HG MET 13 -4.839 13.367 7.722 108 1HE MET 13 1HE MET 13 -6.134 15.024 10.884 109 2HE MET 13 2HE MET 13 -6.015 13.540 9.937 110 3HE MET 13 3HE MET 13 -6.810 14.959 9.256 111 H ARG 14 H ARG 14 -1.056 12.027 5.467 112 HA ARG 14 HA ARG 14 0.697 13.982 4.163 113 1HB ARG 14 1HB ARG 14 1.307 11.351 5.529 114 2HB ARG 14 2HB ARG 14 2.511 12.360 4.742 115 1HG ARG 14 1HG ARG 14 2.774 13.031 6.902 116 2HG ARG 14 2HG ARG 14 1.566 14.198 6.364 117 1HD ARG 14 1HD ARG 14 0.354 13.539 8.119 118 2HD ARG 14 2HD ARG 14 0.043 12.061 7.207 119 HE ARG 14 HE ARG 14 1.408 10.923 8.646 120 1HH1 ARG 14 1HH1 ARG 14 1.955 14.355 9.090 121 2HH1 ARG 14 2HH1 ARG 14 2.949 14.139 10.489 122 1HH2 ARG 14 1HH2 ARG 14 2.718 10.647 10.492 123 2HH2 ARG 14 2HH2 ARG 14 3.383 12.036 11.285 124 H SER 15 H SER 15 2.040 13.289 2.368 125 HA SER 15 HA SER 15 0.571 11.525 0.567 126 1HB SER 15 1HB SER 15 1.286 12.800 -1.101 127 2HB SER 15 2HB SER 15 1.728 13.957 0.150 128 HG SER 15 HG SER 15 3.805 13.438 -0.075 129 H ASP 16 H ASP 16 3.849 11.897 1.893 130 HA ASP 16 HA ASP 16 4.917 9.625 0.582 131 1HB ASP 16 1HB ASP 16 5.911 10.999 3.051 132 2HB ASP 16 2HB ASP 16 6.837 9.929 2.022 133 H HIS 17 H HIS 17 3.777 10.173 3.908 134 HA HIS 17 HA HIS 17 4.279 7.584 4.877 135 1HB HIS 17 1HB HIS 17 2.449 9.805 5.704 136 2HB HIS 17 2HB HIS 17 2.271 8.223 6.448 137 HD1 HIS 17 HD1 HIS 17 2.972 9.453 8.685 138 HD2 HIS 17 HD2 HIS 17 5.924 9.219 5.775 139 HE1 HIS 17 HE1 HIS 17 5.118 9.996 9.862 140 HE2 HIS 17 HE2 HIS 17 6.880 9.941 8.066 141 H LEU 18 H LEU 18 1.431 8.971 3.278 142 HA LEU 18 HA LEU 18 -0.293 6.788 3.553 143 1HB LEU 18 1HB LEU 18 -0.893 9.063 2.737 144 2HB LEU 18 2HB LEU 18 -0.121 8.686 1.217 145 HG LEU 18 HG LEU 18 -2.322 6.945 2.247 146 1HD1 LEU 18 1HD1 LEU 18 -2.548 9.649 1.007 147 2HD1 LEU 18 2HD1 LEU 18 -3.428 8.976 2.376 148 3HD1 LEU 18 3HD1 LEU 18 -3.792 8.427 0.740 149 1HD2 LEU 18 1HD2 LEU 18 -2.562 7.214 -0.458 150 2HD2 LEU 18 2HD2 LEU 18 -1.724 5.901 0.375 151 3HD2 LEU 18 3HD2 LEU 18 -0.816 7.291 -0.222 152 H THR 19 H THR 19 1.971 7.618 0.926 153 HA THR 19 HA THR 19 1.431 5.369 -0.648 154 HB THR 19 HB THR 19 4.031 6.915 -0.466 155 HG1 THR 19 HG1 THR 19 2.760 8.444 -1.165 156 1HG2 THR 19 1HG2 THR 19 4.444 4.964 -1.745 157 2HG2 THR 19 2HG2 THR 19 4.235 6.299 -2.877 158 3HG2 THR 19 3HG2 THR 19 2.926 5.145 -2.627 159 H LEU 20 H LEU 20 3.508 5.860 2.133 160 HA LEU 20 HA LEU 20 5.107 3.562 1.977 161 1HB LEU 20 1HB LEU 20 5.066 5.614 3.644 162 2HB LEU 20 2HB LEU 20 4.067 4.548 4.607 163 HG LEU 20 HG LEU 20 6.270 4.328 5.423 164 1HD1 LEU 20 1HD1 LEU 20 6.718 2.024 5.192 165 2HD1 LEU 20 2HD1 LEU 20 5.978 1.965 3.592 166 3HD1 LEU 20 3HD1 LEU 20 4.972 2.206 5.022 167 1HD2 LEU 20 1HD2 LEU 20 7.429 5.329 3.513 168 2HD2 LEU 20 2HD2 LEU 20 7.179 3.847 2.589 169 3HD2 LEU 20 3HD2 LEU 20 8.199 3.828 4.028 170 H HIS 21 H HIS 21 1.885 4.117 3.299 171 HA HIS 21 HA HIS 21 1.375 1.643 4.464 172 1HB HIS 21 1HB HIS 21 -0.574 2.666 4.885 173 2HB HIS 21 2HB HIS 21 -0.072 4.009 3.897 174 HD1 HIS 21 HD1 HIS 21 -2.063 4.611 2.512 175 HD2 HIS 21 HD2 HIS 21 -1.475 0.515 2.687 176 HE1 HIS 21 HE1 HIS 21 -3.879 3.559 1.109 177 H ILE 22 H ILE 22 0.756 2.752 1.178 178 HA ILE 22 HA ILE 22 -0.477 0.414 0.264 179 HB ILE 22 HB ILE 22 1.036 2.278 -1.550 180 1HG1 ILE 22 1HG1 ILE 22 -1.818 2.797 -0.938 181 2HG1 ILE 22 2HG1 ILE 22 -0.679 3.243 0.312 182 1HG2 ILE 22 1HG2 ILE 22 -0.176 1.381 -3.223 183 2HG2 ILE 22 2HG2 ILE 22 -1.641 1.297 -2.241 184 3HG2 ILE 22 3HG2 ILE 22 -0.413 0.038 -2.104 185 1HD1 ILE 22 1HD1 ILE 22 -1.308 4.541 -2.173 186 2HD1 ILE 22 2HD1 ILE 22 0.424 4.253 -2.006 187 3HD1 ILE 22 3HD1 ILE 22 -0.448 5.149 -0.761 188 H LEU 23 H LEU 23 2.672 0.600 1.257 189 HA LEU 23 HA LEU 23 3.957 -0.956 -0.753 190 1HB LEU 23 1HB LEU 23 4.845 0.483 1.367 191 2HB LEU 23 2HB LEU 23 4.961 -1.146 1.995 192 HG LEU 23 HG LEU 23 6.306 -1.722 -0.079 193 1HD1 LEU 23 1HD1 LEU 23 7.386 0.134 -1.234 194 2HD1 LEU 23 2HD1 LEU 23 6.432 1.284 -0.295 195 3HD1 LEU 23 3HD1 LEU 23 5.635 0.197 -1.433 196 1HD2 LEU 23 1HD2 LEU 23 7.491 0.349 1.765 197 2HD2 LEU 23 2HD2 LEU 23 8.359 -0.898 0.869 198 3HD2 LEU 23 3HD2 LEU 23 7.267 -1.352 2.177 199 H LEU 24 H LEU 24 2.102 -1.675 2.158 200 HA LEU 24 HA LEU 24 2.775 -4.453 2.219 201 1HB LEU 24 1HB LEU 24 0.535 -4.521 3.612 202 2HB LEU 24 2HB LEU 24 2.043 -3.941 4.283 203 HG LEU 24 HG LEU 24 1.245 -1.603 3.717 204 1HD1 LEU 24 1HD1 LEU 24 -1.357 -3.083 3.339 205 2HD1 LEU 24 2HD1 LEU 24 -0.501 -2.134 2.125 206 3HD1 LEU 24 3HD1 LEU 24 -1.209 -1.335 3.527 207 1HD2 LEU 24 1HD2 LEU 24 0.360 -1.399 5.805 208 2HD2 LEU 24 2HD2 LEU 24 1.110 -2.990 5.935 209 3HD2 LEU 24 3HD2 LEU 24 -0.625 -2.854 5.649 210 H HIS 25 H HIS 25 0.512 -2.606 0.376 211 HA HIS 25 HA HIS 25 -1.511 -4.427 -0.136 212 1HB HIS 25 1HB HIS 25 -0.374 -2.096 -1.544 213 2HB HIS 25 2HB HIS 25 -1.254 -3.227 -2.565 214 HD1 HIS 25 HD1 HIS 25 -3.724 -3.919 -1.191 215 HD2 HIS 25 HD2 HIS 25 -2.013 -0.164 -0.715 216 HE1 HIS 25 HE1 HIS 25 -5.573 -2.391 -0.393 217 H GLU 26 H GLU 26 1.724 -4.252 -1.540 218 HA GLU 26 HA GLU 26 1.427 -6.039 -3.655 219 1HB GLU 26 1HB GLU 26 3.435 -4.778 -3.522 220 2HB GLU 26 2HB GLU 26 3.786 -5.363 -1.904 221 1HG GLU 26 1HG GLU 26 3.626 -7.389 -4.053 222 2HG GLU 26 2HG GLU 26 5.002 -6.288 -4.085 223 H ASN 27 H ASN 27 2.331 -6.695 -0.271 224 HA ASN 27 HA ASN 27 2.507 -9.521 -0.644 225 1HB ASN 27 1HB ASN 27 2.793 -7.625 1.587 226 2HB ASN 27 2HB ASN 27 2.151 -9.196 2.055 227 1HD2 ASN 27 1HD2 ASN 27 3.436 -11.018 1.869 228 2HD2 ASN 27 2HD2 ASN 27 5.140 -10.926 1.599 229 H LYS 28 H LYS 28 1.083 -11.138 0.016 230 HA LYS 28 HA LYS 28 -1.703 -10.465 -0.209 231 1HB LYS 28 1HB LYS 28 -0.274 -13.085 0.248 232 2HB LYS 28 2HB LYS 28 -2.021 -12.950 0.111 233 1HG LYS 28 1HG LYS 28 -1.956 -12.748 -2.116 234 2HG LYS 28 2HG LYS 28 -0.547 -11.687 -2.080 235 1HD LYS 28 1HD LYS 28 0.170 -14.353 -1.255 236 2HD LYS 28 2HD LYS 28 -0.629 -14.385 -2.828 237 1HE LYS 28 1HE LYS 28 1.472 -12.331 -2.360 238 2HE LYS 28 2HE LYS 28 1.982 -14.003 -2.590 239 1HZ LYS 28 1HZ LYS 28 0.780 -14.037 -4.691 240 2HZ LYS 28 2HZ LYS 28 1.939 -12.805 -4.682 241 3HZ LYS 28 3HZ LYS 28 0.303 -12.429 -4.470 242 H LYS 29 H LYS 29 -3.318 -10.695 1.326 243 HA LYS 29 HA LYS 29 -2.512 -11.295 4.080 244 1HB LYS 29 1HB LYS 29 -3.788 -9.331 4.906 245 2HB LYS 29 2HB LYS 29 -2.372 -8.892 3.962 246 1HG LYS 29 1HG LYS 29 -3.746 -7.508 2.884 247 2HG LYS 29 2HG LYS 29 -4.330 -8.952 2.055 248 1HD LYS 29 1HD LYS 29 -5.848 -9.080 4.257 249 2HD LYS 29 2HD LYS 29 -5.601 -7.334 4.187 250 1HE LYS 29 1HE LYS 29 -6.413 -7.332 1.866 251 2HE LYS 29 2HE LYS 29 -6.695 -9.069 1.974 252 1HZ LYS 29 1HZ LYS 29 -8.295 -8.659 3.742 253 2HZ LYS 29 2HZ LYS 29 -8.729 -7.823 2.337 254 3HZ LYS 29 3HZ LYS 29 -8.025 -6.992 3.631 Start of MODEL 22 1 H TYR 1 H TYR 1 -8.382 14.714 6.122 2 HA TYR 1 HA TYR 1 -6.571 12.636 5.087 3 1HB TYR 1 1HB TYR 1 -9.566 12.773 5.525 4 2HB TYR 1 2HB TYR 1 -8.741 11.453 4.708 5 HD1 TYR 1 HD1 TYR 1 -10.388 11.963 7.527 6 HD2 TYR 1 HD2 TYR 1 -6.424 10.936 6.373 7 HE1 TYR 1 HE1 TYR 1 -10.053 10.846 9.691 8 HE2 TYR 1 HE2 TYR 1 -6.078 9.816 8.534 9 HH TYR 1 HH TYR 1 -7.561 10.280 11.105 10 H LYS 2 H LYS 2 -5.769 13.873 3.368 11 HA LYS 2 HA LYS 2 -7.690 15.028 1.494 12 1HB LYS 2 1HB LYS 2 -5.484 16.148 2.300 13 2HB LYS 2 2HB LYS 2 -4.711 15.087 1.132 14 1HG LYS 2 1HG LYS 2 -5.017 16.972 -0.125 15 2HG LYS 2 2HG LYS 2 -6.490 16.077 -0.507 16 1HD LYS 2 1HD LYS 2 -7.622 17.362 1.338 17 2HD LYS 2 2HD LYS 2 -6.171 18.362 1.435 18 1HE LYS 2 1HE LYS 2 -7.548 17.970 -1.192 19 2HE LYS 2 2HE LYS 2 -8.186 19.130 -0.029 20 1HZ LYS 2 1HZ LYS 2 -5.432 19.132 -1.146 21 2HZ LYS 2 2HZ LYS 2 -6.033 20.240 -0.018 22 3HZ LYS 2 3HZ LYS 2 -6.678 20.190 -1.581 23 H PHE 3 H PHE 3 -5.161 12.539 1.610 24 HA PHE 3 HA PHE 3 -5.714 11.738 -1.127 25 1HB PHE 3 1HB PHE 3 -3.600 11.210 0.869 26 2HB PHE 3 2HB PHE 3 -3.976 9.884 -0.215 27 HD1 PHE 3 HD1 PHE 3 -3.525 10.041 -2.589 28 HD2 PHE 3 HD2 PHE 3 -2.610 13.255 0.047 29 HE1 PHE 3 HE1 PHE 3 -2.115 11.061 -4.328 30 HE2 PHE 3 HE2 PHE 3 -1.199 14.281 -1.686 31 HZ PHE 3 HZ PHE 3 -0.950 13.184 -3.877 32 H ALA 4 H ALA 4 -5.922 9.381 -1.590 33 HA ALA 4 HA ALA 4 -7.208 7.740 0.420 34 1HB ALA 4 1HB ALA 4 -9.095 9.057 -0.350 35 2HB ALA 4 2HB ALA 4 -9.254 7.390 -0.906 36 3HB ALA 4 3HB ALA 4 -8.727 8.645 -2.026 37 H CYS 5 H CYS 5 -6.816 5.609 0.047 38 HA CYS 5 HA CYS 5 -5.045 4.870 -2.040 39 1HB CYS 5 1HB CYS 5 -5.387 3.797 0.311 40 2HB CYS 5 2HB CYS 5 -6.633 2.854 -0.490 41 HG CYS 5 HG CYS 5 -4.798 1.350 -1.084 42 HA PRO 6 HA PRO 6 -8.009 3.925 -5.212 43 1HB PRO 6 1HB PRO 6 -6.368 2.674 -6.941 44 2HB PRO 6 2HB PRO 6 -6.282 4.417 -6.662 45 1HG PRO 6 1HG PRO 6 -4.562 2.235 -5.550 46 2HG PRO 6 2HG PRO 6 -4.086 3.823 -6.178 47 1HD PRO 6 1HD PRO 6 -4.339 3.265 -3.516 48 2HD PRO 6 2HD PRO 6 -4.576 4.885 -4.205 49 H GLU 7 H GLU 7 -6.174 1.520 -3.487 50 HA GLU 7 HA GLU 7 -7.785 -0.659 -4.594 51 1HB GLU 7 1HB GLU 7 -5.126 -0.558 -4.050 52 2HB GLU 7 2HB GLU 7 -5.733 -1.266 -2.560 53 1HG GLU 7 1HG GLU 7 -6.557 -2.378 -5.208 54 2HG GLU 7 2HG GLU 7 -5.001 -2.804 -4.500 55 H CYS 8 H CYS 8 -6.844 0.712 -1.431 56 HA CYS 8 HA CYS 8 -9.193 -0.626 -0.248 57 1HB CYS 8 1HB CYS 8 -8.057 -0.664 1.846 58 2HB CYS 8 2HB CYS 8 -6.929 -1.256 0.641 59 HG CYS 8 HG CYS 8 -5.407 0.599 1.146 60 HA PRO 9 HA PRO 9 -10.765 3.326 0.954 61 1HB PRO 9 1HB PRO 9 -12.196 2.732 3.125 62 2HB PRO 9 2HB PRO 9 -12.568 2.005 1.558 63 1HG PRO 9 1HG PRO 9 -11.209 0.815 3.922 64 2HG PRO 9 2HG PRO 9 -12.273 0.048 2.732 65 1HD PRO 9 1HD PRO 9 -9.446 -0.008 2.762 66 2HD PRO 9 2HD PRO 9 -10.502 -0.556 1.450 67 H LYS 10 H LYS 10 -7.991 3.038 1.947 68 HA LYS 10 HA LYS 10 -8.066 4.092 4.645 69 1HB LYS 10 1HB LYS 10 -5.705 3.639 2.811 70 2HB LYS 10 2HB LYS 10 -5.607 4.128 4.479 71 1HG LYS 10 1HG LYS 10 -7.020 1.606 3.746 72 2HG LYS 10 2HG LYS 10 -5.261 1.650 3.880 73 1HD LYS 10 1HD LYS 10 -5.361 2.274 6.165 74 2HD LYS 10 2HD LYS 10 -7.087 2.623 6.066 75 1HE LYS 10 1HE LYS 10 -5.935 -0.120 5.606 76 2HE LYS 10 2HE LYS 10 -6.451 0.450 7.193 77 1HZ LYS 10 1HZ LYS 10 -8.238 -0.757 6.238 78 2HZ LYS 10 2HZ LYS 10 -8.137 0.091 4.778 79 3HZ LYS 10 3HZ LYS 10 -8.670 0.878 6.177 80 H ARG 11 H ARG 11 -7.045 6.093 5.225 81 HA ARG 11 HA ARG 11 -6.794 8.107 3.128 82 1HB ARG 11 1HB ARG 11 -8.267 9.683 4.364 83 2HB ARG 11 2HB ARG 11 -9.127 8.295 3.719 84 1HG ARG 11 1HG ARG 11 -8.160 7.984 6.475 85 2HG ARG 11 2HG ARG 11 -9.388 9.227 6.242 86 1HD ARG 11 1HD ARG 11 -11.006 7.727 5.741 87 2HD ARG 11 2HD ARG 11 -9.891 6.642 4.910 88 HE ARG 11 HE ARG 11 -9.656 5.473 6.854 89 1HH1 ARG 11 1HH1 ARG 11 -10.937 8.637 7.647 90 2HH1 ARG 11 2HH1 ARG 11 -11.180 8.253 9.317 91 1HH2 ARG 11 1HH2 ARG 11 -9.981 4.977 9.055 92 2HH2 ARG 11 2HH2 ARG 11 -10.639 6.177 10.116 93 H PHE 12 H PHE 12 -5.170 9.502 3.522 94 HA PHE 12 HA PHE 12 -4.190 9.776 6.280 95 1HB PHE 12 1HB PHE 12 -2.345 9.406 3.947 96 2HB PHE 12 2HB PHE 12 -1.916 9.424 5.641 97 HD1 PHE 12 HD1 PHE 12 -4.290 7.531 3.458 98 HD2 PHE 12 HD2 PHE 12 -1.304 7.376 6.487 99 HE1 PHE 12 HE1 PHE 12 -4.463 5.094 3.490 100 HE2 PHE 12 HE2 PHE 12 -1.480 4.919 6.525 101 HZ PHE 12 HZ PHE 12 -3.062 3.777 5.011 102 H MET 13 H MET 13 -3.059 11.695 6.743 103 HA MET 13 HA MET 13 -3.866 13.943 5.117 104 1HB MET 13 1HB MET 13 -2.264 13.822 7.680 105 2HB MET 13 2HB MET 13 -2.821 15.303 6.911 106 1HG MET 13 1HG MET 13 -5.155 14.019 7.110 107 2HG MET 13 2HG MET 13 -4.313 13.295 8.478 108 1HE MET 13 1HE MET 13 -6.663 14.276 9.039 109 2HE MET 13 2HE MET 13 -7.012 15.987 9.289 110 3HE MET 13 3HE MET 13 -6.225 15.052 10.561 111 H ARG 14 H ARG 14 -1.036 11.997 5.509 112 HA ARG 14 HA ARG 14 0.656 13.976 4.159 113 1HB ARG 14 1HB ARG 14 1.380 11.327 5.430 114 2HB ARG 14 2HB ARG 14 2.520 12.454 4.713 115 1HG ARG 14 1HG ARG 14 2.733 12.968 6.929 116 2HG ARG 14 2HG ARG 14 1.499 14.130 6.441 117 1HD ARG 14 1HD ARG 14 0.122 13.296 7.971 118 2HD ARG 14 2HD ARG 14 0.172 11.733 7.152 119 HE ARG 14 HE ARG 14 2.402 12.230 8.915 120 1HH1 ARG 14 1HH1 ARG 14 -0.847 10.948 8.662 121 2HH1 ARG 14 2HH1 ARG 14 -0.683 9.926 10.049 122 1HH2 ARG 14 1HH2 ARG 14 2.610 10.879 10.744 123 2HH2 ARG 14 2HH2 ARG 14 1.277 9.887 11.231 124 H SER 15 H SER 15 2.004 13.251 2.354 125 HA SER 15 HA SER 15 0.489 11.495 0.580 126 1HB SER 15 1HB SER 15 0.906 13.199 -0.776 127 2HB SER 15 2HB SER 15 2.225 13.814 0.216 128 HG SER 15 HG SER 15 3.619 12.766 -0.992 129 H ASP 16 H ASP 16 3.828 11.931 1.741 130 HA ASP 16 HA ASP 16 4.845 9.604 0.473 131 1HB ASP 16 1HB ASP 16 6.047 11.718 1.558 132 2HB ASP 16 2HB ASP 16 6.144 10.632 2.938 133 H HIS 17 H HIS 17 3.854 10.262 3.834 134 HA HIS 17 HA HIS 17 4.397 7.713 4.871 135 1HB HIS 17 1HB HIS 17 2.483 9.887 5.688 136 2HB HIS 17 2HB HIS 17 2.538 8.353 6.546 137 HD1 HIS 17 HD1 HIS 17 3.247 10.001 8.568 138 HD2 HIS 17 HD2 HIS 17 6.039 9.467 5.540 139 HE1 HIS 17 HE1 HIS 17 5.430 10.781 9.526 140 HE2 HIS 17 HE2 HIS 17 7.091 10.535 7.647 141 H LEU 18 H LEU 18 1.470 9.026 3.350 142 HA LEU 18 HA LEU 18 -0.231 6.849 3.762 143 1HB LEU 18 1HB LEU 18 -0.891 9.075 2.901 144 2HB LEU 18 2HB LEU 18 -0.137 8.689 1.376 145 HG LEU 18 HG LEU 18 -2.285 6.918 2.454 146 1HD1 LEU 18 1HD1 LEU 18 -3.804 8.385 0.958 147 2HD1 LEU 18 2HD1 LEU 18 -2.587 9.630 1.258 148 3HD1 LEU 18 3HD1 LEU 18 -3.453 8.901 2.607 149 1HD2 LEU 18 1HD2 LEU 18 -1.781 5.886 0.556 150 2HD2 LEU 18 2HD2 LEU 18 -0.812 7.245 -0.019 151 3HD2 LEU 18 3HD2 LEU 18 -2.558 7.241 -0.269 152 H THR 19 H THR 19 1.988 7.567 1.078 153 HA THR 19 HA THR 19 1.377 5.303 -0.443 154 HB THR 19 HB THR 19 4.000 6.815 -0.337 155 HG1 THR 19 HG1 THR 19 2.736 8.340 -1.058 156 1HG2 THR 19 1HG2 THR 19 4.148 6.134 -2.745 157 2HG2 THR 19 2HG2 THR 19 2.850 4.985 -2.422 158 3HG2 THR 19 3HG2 THR 19 4.388 4.837 -1.573 159 H LEU 20 H LEU 20 3.534 5.799 2.285 160 HA LEU 20 HA LEU 20 5.080 3.467 2.106 161 1HB LEU 20 1HB LEU 20 5.361 5.426 3.705 162 2HB LEU 20 2HB LEU 20 4.098 4.702 4.678 163 HG LEU 20 HG LEU 20 5.548 2.633 4.830 164 1HD1 LEU 20 1HD1 LEU 20 7.969 3.000 4.435 165 2HD1 LEU 20 2HD1 LEU 20 7.572 4.523 3.639 166 3HD1 LEU 20 3HD1 LEU 20 7.007 2.999 2.957 167 1HD2 LEU 20 1HD2 LEU 20 6.656 5.193 5.975 168 2HD2 LEU 20 2HD2 LEU 20 6.954 3.565 6.584 169 3HD2 LEU 20 3HD2 LEU 20 5.330 4.249 6.656 170 H HIS 21 H HIS 21 1.829 4.050 3.284 171 HA HIS 21 HA HIS 21 1.356 1.580 4.545 172 1HB HIS 21 1HB HIS 21 -0.586 2.608 5.005 173 2HB HIS 21 2HB HIS 21 -0.086 3.959 4.028 174 HD1 HIS 21 HD1 HIS 21 -2.073 4.595 2.653 175 HD2 HIS 21 HD2 HIS 21 -1.547 0.490 2.806 176 HE1 HIS 21 HE1 HIS 21 -3.909 3.581 1.250 177 H ILE 22 H ILE 22 0.688 2.728 1.285 178 HA ILE 22 HA ILE 22 -0.555 0.398 0.364 179 HB ILE 22 HB ILE 22 0.942 2.275 -1.450 180 1HG1 ILE 22 1HG1 ILE 22 -1.903 2.804 -0.815 181 2HG1 ILE 22 2HG1 ILE 22 -0.761 3.219 0.443 182 1HG2 ILE 22 1HG2 ILE 22 -1.748 1.287 -2.103 183 2HG2 ILE 22 2HG2 ILE 22 -0.498 0.045 -2.020 184 3HG2 ILE 22 3HG2 ILE 22 -0.310 1.413 -3.117 185 1HD1 ILE 22 1HD1 ILE 22 0.374 4.271 -1.825 186 2HD1 ILE 22 2HD1 ILE 22 -0.546 5.147 -0.603 187 3HD1 ILE 22 3HD1 ILE 22 -1.352 4.546 -2.049 188 H LEU 23 H LEU 23 2.638 0.642 1.279 189 HA LEU 23 HA LEU 23 3.914 -0.882 -0.741 190 1HB LEU 23 1HB LEU 23 4.703 0.405 1.599 191 2HB LEU 23 2HB LEU 23 5.015 -1.290 1.901 192 HG LEU 23 HG LEU 23 5.998 -0.668 -0.700 193 1HD1 LEU 23 1HD1 LEU 23 7.690 1.001 -0.137 194 2HD1 LEU 23 2HD1 LEU 23 6.968 1.198 1.460 195 3HD1 LEU 23 3HD1 LEU 23 6.060 1.658 0.019 196 1HD2 LEU 23 1HD2 LEU 23 8.085 -1.455 0.227 197 2HD2 LEU 23 2HD2 LEU 23 6.762 -2.463 0.815 198 3HD2 LEU 23 3HD2 LEU 23 7.475 -1.240 1.867 199 H LEU 24 H LEU 24 2.036 -1.710 2.129 200 HA LEU 24 HA LEU 24 2.728 -4.480 2.119 201 1HB LEU 24 1HB LEU 24 0.442 -4.612 3.434 202 2HB LEU 24 2HB LEU 24 1.923 -4.044 4.170 203 HG LEU 24 HG LEU 24 1.143 -1.700 3.676 204 1HD1 LEU 24 1HD1 LEU 24 -1.395 -3.184 3.008 205 2HD1 LEU 24 2HD1 LEU 24 -0.501 -2.064 1.978 206 3HD1 LEU 24 3HD1 LEU 24 -1.342 -1.465 3.408 207 1HD2 LEU 24 1HD2 LEU 24 -0.848 -3.003 5.439 208 2HD2 LEU 24 2HD2 LEU 24 0.157 -1.582 5.719 209 3HD2 LEU 24 3HD2 LEU 24 0.863 -3.195 5.817 210 H HIS 25 H HIS 25 0.503 -2.615 0.251 211 HA HIS 25 HA HIS 25 -1.441 -4.523 -0.362 212 1HB HIS 25 1HB HIS 25 -0.441 -2.045 -1.654 213 2HB HIS 25 2HB HIS 25 -1.372 -3.145 -2.663 214 HD1 HIS 25 HD1 HIS 25 -3.739 -3.939 -1.218 215 HD2 HIS 25 HD2 HIS 25 -2.027 -0.216 -0.543 216 HE1 HIS 25 HE1 HIS 25 -5.550 -2.498 -0.195 217 H GLU 26 H GLU 26 1.848 -4.236 -1.498 218 HA GLU 26 HA GLU 26 1.788 -5.599 -3.895 219 1HB GLU 26 1HB GLU 26 3.801 -4.532 -2.929 220 2HB GLU 26 2HB GLU 26 3.912 -5.832 -1.752 221 1HG GLU 26 1HG GLU 26 5.483 -6.165 -3.565 222 2HG GLU 26 2HG GLU 26 4.266 -7.441 -3.550 223 H ASN 27 H ASN 27 1.975 -6.976 -0.617 224 HA ASN 27 HA ASN 27 1.375 -9.621 -1.774 225 1HB ASN 27 1HB ASN 27 3.066 -8.775 0.540 226 2HB ASN 27 2HB ASN 27 2.254 -10.335 0.623 227 1HD2 ASN 27 1HD2 ASN 27 4.430 -8.382 -1.355 228 2HD2 ASN 27 2HD2 ASN 27 5.280 -9.715 -2.051 229 H LYS 28 H LYS 28 0.109 -11.074 -0.299 230 HA LYS 28 HA LYS 28 -1.967 -9.524 1.111 231 1HB LYS 28 1HB LYS 28 -3.605 -11.109 0.415 232 2HB LYS 28 2HB LYS 28 -2.684 -10.663 -1.013 233 1HG LYS 28 1HG LYS 28 -2.416 -12.827 -1.404 234 2HG LYS 28 2HG LYS 28 -1.358 -12.886 0.006 235 1HD LYS 28 1HD LYS 28 -4.129 -12.953 0.806 236 2HD LYS 28 2HD LYS 28 -3.785 -14.233 -0.358 237 1HE LYS 28 1HE LYS 28 -1.849 -14.913 1.039 238 2HE LYS 28 2HE LYS 28 -2.330 -13.706 2.229 239 1HZ LYS 28 1HZ LYS 28 -3.152 -15.871 2.847 240 2HZ LYS 28 2HZ LYS 28 -3.946 -16.042 1.363 241 3HZ LYS 28 3HZ LYS 28 -4.456 -14.863 2.463 242 H LYS 29 H LYS 29 -3.020 -10.588 2.919 243 HA LYS 29 HA LYS 29 -1.419 -12.707 4.179 244 1HB LYS 29 1HB LYS 29 -0.887 -10.361 5.051 245 2HB LYS 29 2HB LYS 29 -2.503 -10.371 5.746 246 1HG LYS 29 1HG LYS 29 -1.978 -12.015 7.281 247 2HG LYS 29 2HG LYS 29 -0.618 -12.613 6.329 248 1HD LYS 29 1HD LYS 29 0.754 -11.369 7.557 249 2HD LYS 29 2HD LYS 29 -0.053 -9.920 6.953 250 1HE LYS 29 1HE LYS 29 -1.435 -9.759 8.804 251 2HE LYS 29 2HE LYS 29 -1.258 -11.464 9.211 252 1HZ LYS 29 1HZ LYS 29 0.870 -9.409 9.489 253 2HZ LYS 29 2HZ LYS 29 0.999 -11.038 9.925 254 3HZ LYS 29 3HZ LYS 29 -0.068 -10.024 10.757 Start of MODEL 23 1 H TYR 1 H TYR 1 -11.609 14.735 2.178 2 HA TYR 1 HA TYR 1 -9.361 14.743 2.811 3 1HB TYR 1 1HB TYR 1 -10.326 12.382 1.206 4 2HB TYR 1 2HB TYR 1 -8.813 12.324 2.104 5 HD1 TYR 1 HD1 TYR 1 -12.400 12.087 2.296 6 HD2 TYR 1 HD2 TYR 1 -8.871 12.659 4.603 7 HE1 TYR 1 HE1 TYR 1 -13.642 11.493 4.333 8 HE2 TYR 1 HE2 TYR 1 -10.102 12.065 6.646 9 HH TYR 1 HH TYR 1 -13.044 12.199 7.126 10 H LYS 2 H LYS 2 -7.121 14.336 2.287 11 HA LYS 2 HA LYS 2 -6.334 15.652 -0.136 12 1HB LYS 2 1HB LYS 2 -5.172 15.888 2.087 13 2HB LYS 2 2HB LYS 2 -4.551 14.258 1.865 14 1HG LYS 2 1HG LYS 2 -2.931 14.956 0.513 15 2HG LYS 2 2HG LYS 2 -4.039 15.945 -0.439 16 1HD LYS 2 1HD LYS 2 -3.901 17.726 1.211 17 2HD LYS 2 2HD LYS 2 -2.854 16.731 2.223 18 1HE LYS 2 1HE LYS 2 -1.331 18.082 1.129 19 2HE LYS 2 2HE LYS 2 -1.338 16.636 0.120 20 1HZ LYS 2 1HZ LYS 2 -2.898 19.107 -0.422 21 2HZ LYS 2 2HZ LYS 2 -2.837 17.732 -1.407 22 3HZ LYS 2 3HZ LYS 2 -1.452 18.677 -1.189 23 H PHE 3 H PHE 3 -5.771 12.371 1.177 24 HA PHE 3 HA PHE 3 -5.318 11.455 -1.585 25 1HB PHE 3 1HB PHE 3 -3.700 11.137 0.830 26 2HB PHE 3 2HB PHE 3 -4.038 9.621 0.016 27 HD1 PHE 3 HD1 PHE 3 -3.260 9.245 -2.286 28 HD2 PHE 3 HD2 PHE 3 -2.263 12.773 -0.126 29 HE1 PHE 3 HE1 PHE 3 -1.462 9.720 -3.898 30 HE2 PHE 3 HE2 PHE 3 -0.465 13.255 -1.732 31 HZ PHE 3 HZ PHE 3 -0.062 11.727 -3.623 32 H ALA 4 H ALA 4 -5.472 8.946 -1.640 33 HA ALA 4 HA ALA 4 -7.247 7.617 0.127 34 1HB ALA 4 1HB ALA 4 -9.112 7.335 -1.572 35 2HB ALA 4 2HB ALA 4 -8.411 8.709 -2.425 36 3HB ALA 4 3HB ALA 4 -9.009 8.906 -0.777 37 H CYS 5 H CYS 5 -6.622 5.543 0.002 38 HA CYS 5 HA CYS 5 -4.904 4.585 -2.013 39 1HB CYS 5 1HB CYS 5 -5.186 3.691 0.377 40 2HB CYS 5 2HB CYS 5 -6.558 2.791 -0.246 41 HG CYS 5 HG CYS 5 -3.767 2.327 -1.508 42 HA PRO 6 HA PRO 6 -7.865 3.503 -5.147 43 1HB PRO 6 1HB PRO 6 -6.221 2.117 -6.779 44 2HB PRO 6 2HB PRO 6 -6.134 3.875 -6.624 45 1HG PRO 6 1HG PRO 6 -4.427 1.775 -5.343 46 2HG PRO 6 2HG PRO 6 -3.941 3.309 -6.085 47 1HD PRO 6 1HD PRO 6 -4.198 2.967 -3.397 48 2HD PRO 6 2HD PRO 6 -4.458 4.525 -4.208 49 H GLU 7 H GLU 7 -6.169 1.224 -3.173 50 HA GLU 7 HA GLU 7 -7.760 -1.015 -4.191 51 1HB GLU 7 1HB GLU 7 -5.151 -0.750 -2.820 52 2HB GLU 7 2HB GLU 7 -6.119 -2.143 -2.369 53 1HG GLU 7 1HG GLU 7 -6.065 -3.033 -4.523 54 2HG GLU 7 2HG GLU 7 -5.581 -1.496 -5.241 55 H CYS 8 H CYS 8 -6.883 0.602 -1.127 56 HA CYS 8 HA CYS 8 -9.283 -0.612 0.090 57 1HB CYS 8 1HB CYS 8 -8.158 -0.602 2.212 58 2HB CYS 8 2HB CYS 8 -7.107 -1.369 1.037 59 HG CYS 8 HG CYS 8 -5.418 0.384 1.374 60 HA PRO 9 HA PRO 9 -10.655 3.460 1.120 61 1HB PRO 9 1HB PRO 9 -12.173 3.025 3.265 62 2HB PRO 9 2HB PRO 9 -12.535 2.249 1.719 63 1HG PRO 9 1HG PRO 9 -11.280 1.104 4.167 64 2HG PRO 9 2HG PRO 9 -12.373 0.340 3.001 65 1HD PRO 9 1HD PRO 9 -9.561 0.117 3.069 66 2HD PRO 9 2HD PRO 9 -10.628 -0.405 1.755 67 H LYS 10 H LYS 10 -7.920 2.908 2.342 68 HA LYS 10 HA LYS 10 -8.042 4.131 4.950 69 1HB LYS 10 1HB LYS 10 -5.582 3.654 3.266 70 2HB LYS 10 2HB LYS 10 -5.634 3.978 4.974 71 1HG LYS 10 1HG LYS 10 -7.146 1.617 4.071 72 2HG LYS 10 2HG LYS 10 -5.388 1.524 3.956 73 1HD LYS 10 1HD LYS 10 -5.967 2.650 6.472 74 2HD LYS 10 2HD LYS 10 -7.068 1.285 6.267 75 1HE LYS 10 1HE LYS 10 -5.144 0.375 7.263 76 2HE LYS 10 2HE LYS 10 -5.026 -0.054 5.559 77 1HZ LYS 10 1HZ LYS 10 -2.917 0.747 6.435 78 2HZ LYS 10 2HZ LYS 10 -3.627 2.222 6.859 79 3HZ LYS 10 3HZ LYS 10 -3.500 1.784 5.230 80 H ARG 11 H ARG 11 -7.198 6.146 5.521 81 HA ARG 11 HA ARG 11 -6.729 8.073 3.366 82 1HB ARG 11 1HB ARG 11 -8.532 8.648 5.712 83 2HB ARG 11 2HB ARG 11 -8.227 9.674 4.326 84 1HG ARG 11 1HG ARG 11 -9.324 8.015 2.876 85 2HG ARG 11 2HG ARG 11 -9.685 7.044 4.303 86 1HD ARG 11 1HD ARG 11 -10.532 9.905 4.206 87 2HD ARG 11 2HD ARG 11 -11.469 8.692 3.338 88 HE ARG 11 HE ARG 11 -11.319 9.066 6.190 89 1HH1 ARG 11 1HH1 ARG 11 -12.063 6.792 3.632 90 2HH1 ARG 11 2HH1 ARG 11 -13.101 5.827 4.626 91 1HH2 ARG 11 1HH2 ARG 11 -12.685 7.791 7.494 92 2HH2 ARG 11 2HH2 ARG 11 -13.456 6.394 6.819 93 H PHE 12 H PHE 12 -5.151 9.522 3.786 94 HA PHE 12 HA PHE 12 -4.167 9.785 6.542 95 1HB PHE 12 1HB PHE 12 -2.341 9.368 4.200 96 2HB PHE 12 2HB PHE 12 -1.878 9.462 5.883 97 HD1 PHE 12 HD1 PHE 12 -4.308 7.458 3.864 98 HD2 PHE 12 HD2 PHE 12 -1.198 7.451 6.766 99 HE1 PHE 12 HE1 PHE 12 -4.456 5.023 4.002 100 HE2 PHE 12 HE2 PHE 12 -1.345 4.996 6.909 101 HZ PHE 12 HZ PHE 12 -2.976 3.781 5.509 102 H MET 13 H MET 13 -2.965 11.694 6.978 103 HA MET 13 HA MET 13 -3.804 13.950 5.382 104 1HB MET 13 1HB MET 13 -2.351 13.635 7.990 105 2HB MET 13 2HB MET 13 -2.385 15.194 7.178 106 1HG MET 13 1HG MET 13 -4.591 15.522 7.592 107 2HG MET 13 2HG MET 13 -4.971 13.802 7.554 108 1HE MET 13 1HE MET 13 -3.881 12.152 9.599 109 2HE MET 13 2HE MET 13 -5.599 12.547 9.551 110 3HE MET 13 3HE MET 13 -4.721 12.611 11.080 111 H ARG 14 H ARG 14 -0.955 12.003 5.703 112 HA ARG 14 HA ARG 14 0.682 13.974 4.275 113 1HB ARG 14 1HB ARG 14 1.462 11.347 5.558 114 2HB ARG 14 2HB ARG 14 2.573 12.475 4.797 115 1HG ARG 14 1HG ARG 14 2.856 13.094 6.958 116 2HG ARG 14 2HG ARG 14 1.498 14.145 6.551 117 1HD ARG 14 1HD ARG 14 0.247 13.185 8.114 118 2HD ARG 14 2HD ARG 14 0.490 11.602 7.371 119 HE ARG 14 HE ARG 14 2.750 12.337 8.916 120 1HH1 ARG 14 1HH1 ARG 14 -0.546 11.203 9.241 121 2HH1 ARG 14 2HH1 ARG 14 -0.259 10.428 10.762 122 1HH2 ARG 14 1HH2 ARG 14 3.123 11.313 10.919 123 2HH2 ARG 14 2HH2 ARG 14 1.824 10.490 11.717 124 H SER 15 H SER 15 2.040 13.195 2.484 125 HA SER 15 HA SER 15 0.483 11.465 0.727 126 1HB SER 15 1HB SER 15 0.928 13.282 -0.512 127 2HB SER 15 2HB SER 15 2.437 13.648 0.320 128 HG SER 15 HG SER 15 1.950 11.990 -1.870 129 H ASP 16 H ASP 16 3.854 11.851 1.821 130 HA ASP 16 HA ASP 16 4.797 9.481 0.583 131 1HB ASP 16 1HB ASP 16 6.037 11.604 1.669 132 2HB ASP 16 2HB ASP 16 6.193 10.462 2.999 133 H HIS 17 H HIS 17 3.814 10.207 3.928 134 HA HIS 17 HA HIS 17 4.364 7.680 5.013 135 1HB HIS 17 1HB HIS 17 2.537 9.919 5.795 136 2HB HIS 17 2HB HIS 17 2.428 8.376 6.630 137 HD1 HIS 17 HD1 HIS 17 3.190 9.787 8.753 138 HD2 HIS 17 HD2 HIS 17 6.033 9.362 5.754 139 HE1 HIS 17 HE1 HIS 17 5.375 10.422 9.806 140 HE2 HIS 17 HE2 HIS 17 7.099 10.054 8.008 141 H LEU 18 H LEU 18 1.409 8.971 3.508 142 HA LEU 18 HA LEU 18 -0.249 6.758 3.957 143 1HB LEU 18 1HB LEU 18 -0.952 9.006 3.131 144 2HB LEU 18 2HB LEU 18 -0.285 8.601 1.572 145 HG LEU 18 HG LEU 18 -2.366 6.845 2.799 146 1HD1 LEU 18 1HD1 LEU 18 -2.740 9.525 1.547 147 2HD1 LEU 18 2HD1 LEU 18 -3.520 8.838 2.968 148 3HD1 LEU 18 3HD1 LEU 18 -3.969 8.272 1.362 149 1HD2 LEU 18 1HD2 LEU 18 -1.065 7.175 0.210 150 2HD2 LEU 18 2HD2 LEU 18 -2.820 7.031 0.118 151 3HD2 LEU 18 3HD2 LEU 18 -1.870 5.770 0.911 152 H THR 19 H THR 19 1.848 7.569 1.201 153 HA THR 19 HA THR 19 1.243 5.323 -0.339 154 HB THR 19 HB THR 19 3.836 6.886 -0.255 155 HG1 THR 19 HG1 THR 19 1.473 7.238 -1.783 156 1HG2 THR 19 1HG2 THR 19 3.974 6.228 -2.670 157 2HG2 THR 19 2HG2 THR 19 2.717 5.036 -2.339 158 3HG2 THR 19 3HG2 THR 19 4.271 4.932 -1.510 159 H LEU 20 H LEU 20 3.441 5.775 2.365 160 HA LEU 20 HA LEU 20 5.015 3.471 2.087 161 1HB LEU 20 1HB LEU 20 5.383 5.331 3.730 162 2HB LEU 20 2HB LEU 20 4.046 4.705 4.671 163 HG LEU 20 HG LEU 20 6.358 4.104 5.480 164 1HD1 LEU 20 1HD1 LEU 20 4.982 1.548 4.926 165 2HD1 LEU 20 2HD1 LEU 20 4.050 2.800 5.747 166 3HD1 LEU 20 3HD1 LEU 20 5.561 2.223 6.448 167 1HD2 LEU 20 1HD2 LEU 20 7.622 2.440 4.376 168 2HD2 LEU 20 2HD2 LEU 20 7.213 3.638 3.148 169 3HD2 LEU 20 3HD2 LEU 20 6.326 2.116 3.224 170 H HIS 21 H HIS 21 1.870 3.999 3.609 171 HA HIS 21 HA HIS 21 1.429 1.487 4.711 172 1HB HIS 21 1HB HIS 21 -0.509 2.475 5.283 173 2HB HIS 21 2HB HIS 21 -0.053 3.867 4.338 174 HD1 HIS 21 HD1 HIS 21 -2.126 4.536 3.089 175 HD2 HIS 21 HD2 HIS 21 -1.511 0.448 2.994 176 HE1 HIS 21 HE1 HIS 21 -3.990 3.551 1.692 177 H ILE 22 H ILE 22 0.457 2.715 1.552 178 HA ILE 22 HA ILE 22 -0.838 0.495 0.593 179 HB ILE 22 HB ILE 22 0.762 2.328 -1.183 180 1HG1 ILE 22 1HG1 ILE 22 -2.088 2.871 -0.532 181 2HG1 ILE 22 2HG1 ILE 22 -0.910 3.303 0.684 182 1HG2 ILE 22 1HG2 ILE 22 -0.471 0.217 -2.042 183 2HG2 ILE 22 2HG2 ILE 22 -0.728 1.748 -2.876 184 3HG2 ILE 22 3HG2 ILE 22 -1.937 1.151 -1.736 185 1HD1 ILE 22 1HD1 ILE 22 0.124 4.298 -1.682 186 2HD1 ILE 22 2HD1 ILE 22 -0.664 5.204 -0.391 187 3HD1 ILE 22 3HD1 ILE 22 -1.607 4.625 -1.763 188 H LEU 23 H LEU 23 2.528 0.685 1.179 189 HA LEU 23 HA LEU 23 3.530 -0.988 -0.819 190 1HB LEU 23 1HB LEU 23 5.443 -0.754 0.299 191 2HB LEU 23 2HB LEU 23 4.560 0.231 1.441 192 HG LEU 23 HG LEU 23 4.633 -2.727 1.861 193 1HD1 LEU 23 1HD1 LEU 23 6.868 -0.849 2.609 194 2HD1 LEU 23 2HD1 LEU 23 6.954 -2.119 1.390 195 3HD1 LEU 23 3HD1 LEU 23 6.723 -2.540 3.086 196 1HD2 LEU 23 1HD2 LEU 23 4.876 -0.555 3.910 197 2HD2 LEU 23 2HD2 LEU 23 4.251 -2.194 4.091 198 3HD2 LEU 23 3HD2 LEU 23 3.309 -0.981 3.224 199 H LEU 24 H LEU 24 1.734 -1.732 2.136 200 HA LEU 24 HA LEU 24 2.186 -4.473 2.306 201 1HB LEU 24 1HB LEU 24 -0.150 -4.581 3.305 202 2HB LEU 24 2HB LEU 24 1.017 -3.542 4.094 203 HG LEU 24 HG LEU 24 -0.194 -1.775 2.410 204 1HD1 LEU 24 1HD1 LEU 24 -2.545 -2.087 2.416 205 2HD1 LEU 24 2HD1 LEU 24 -2.409 -3.546 3.402 206 3HD1 LEU 24 3HD1 LEU 24 -1.820 -3.548 1.740 207 1HD2 LEU 24 1HD2 LEU 24 0.308 -1.679 4.888 208 2HD2 LEU 24 2HD2 LEU 24 -1.268 -2.432 5.137 209 3HD2 LEU 24 3HD2 LEU 24 -1.157 -0.854 4.355 210 H HIS 25 H HIS 25 0.094 -2.715 0.106 211 HA HIS 25 HA HIS 25 -1.447 -4.909 -0.776 212 1HB HIS 25 1HB HIS 25 -0.796 -2.276 -2.102 213 2HB HIS 25 2HB HIS 25 -1.933 -3.444 -2.762 214 HD1 HIS 25 HD1 HIS 25 -3.976 -4.052 -0.932 215 HD2 HIS 25 HD2 HIS 25 -1.948 -0.452 -0.520 216 HE1 HIS 25 HE1 HIS 25 -5.452 -2.558 0.486 217 H GLU 26 H GLU 26 1.030 -3.199 -2.726 218 HA GLU 26 HA GLU 26 1.455 -5.672 -4.219 219 1HB GLU 26 1HB GLU 26 1.855 -2.790 -4.761 220 2HB GLU 26 2HB GLU 26 2.995 -3.891 -5.520 221 1HG GLU 26 1HG GLU 26 1.170 -3.433 -7.020 222 2HG GLU 26 2HG GLU 26 1.124 -5.123 -6.520 223 H ASN 27 H ASN 27 3.384 -3.287 -2.400 224 HA ASN 27 HA ASN 27 5.883 -4.510 -2.844 225 1HB ASN 27 1HB ASN 27 5.121 -2.171 -1.731 226 2HB ASN 27 2HB ASN 27 5.499 -3.085 -0.274 227 1HD2 ASN 27 1HD2 ASN 27 6.739 -1.165 -2.701 228 2HD2 ASN 27 2HD2 ASN 27 8.417 -1.502 -2.473 229 H LYS 28 H LYS 28 6.066 -6.645 -2.440 230 HA LYS 28 HA LYS 28 5.993 -7.480 0.349 231 1HB LYS 28 1HB LYS 28 4.120 -8.437 -1.734 232 2HB LYS 28 2HB LYS 28 4.842 -9.682 -0.726 233 1HG LYS 28 1HG LYS 28 3.842 -8.892 1.201 234 2HG LYS 28 2HG LYS 28 3.594 -7.278 0.532 235 1HD LYS 28 1HD LYS 28 1.799 -8.007 -0.819 236 2HD LYS 28 2HD LYS 28 2.194 -9.707 -0.558 237 1HE LYS 28 1HE LYS 28 1.472 -7.955 1.757 238 2HE LYS 28 2HE LYS 28 0.208 -8.629 0.730 239 1HZ LYS 28 1HZ LYS 28 0.625 -10.052 2.620 240 2HZ LYS 28 2HZ LYS 28 2.262 -10.183 2.212 241 3HZ LYS 28 3HZ LYS 28 1.081 -10.846 1.197 242 H LYS 29 H LYS 29 8.188 -6.979 -1.310 243 HA LYS 29 HA LYS 29 9.566 -9.487 -1.120 244 1HB LYS 29 1HB LYS 29 10.315 -9.478 -3.520 245 2HB LYS 29 2HB LYS 29 8.632 -9.913 -3.272 246 1HG LYS 29 1HG LYS 29 8.291 -7.314 -3.688 247 2HG LYS 29 2HG LYS 29 9.807 -7.522 -4.568 248 1HD LYS 29 1HD LYS 29 8.728 -9.424 -5.794 249 2HD LYS 29 2HD LYS 29 7.205 -8.977 -5.024 250 1HE LYS 29 1HE LYS 29 8.799 -6.951 -6.551 251 2HE LYS 29 2HE LYS 29 7.738 -8.078 -7.395 252 1HZ LYS 29 1HZ LYS 29 6.594 -6.020 -6.926 253 2HZ LYS 29 2HZ LYS 29 6.917 -6.168 -5.273 254 3HZ LYS 29 3HZ LYS 29 5.891 -7.276 -6.037 Start of MODEL 24 1 H TYR 1 H TYR 1 -7.064 11.715 7.598 2 HA TYR 1 HA TYR 1 -8.426 11.091 5.628 3 1HB TYR 1 1HB TYR 1 -9.066 12.251 7.882 4 2HB TYR 1 2HB TYR 1 -9.308 13.674 6.877 5 HD1 TYR 1 HD1 TYR 1 -10.331 10.099 7.167 6 HD2 TYR 1 HD2 TYR 1 -11.359 14.005 5.827 7 HE1 TYR 1 HE1 TYR 1 -12.591 9.307 6.607 8 HE2 TYR 1 HE2 TYR 1 -13.621 13.223 5.264 9 HH TYR 1 HH TYR 1 -15.096 10.936 6.331 10 H LYS 2 H LYS 2 -6.185 12.751 4.509 11 HA LYS 2 HA LYS 2 -7.642 14.674 2.864 12 1HB LYS 2 1HB LYS 2 -5.168 14.810 4.024 13 2HB LYS 2 2HB LYS 2 -4.761 14.350 2.378 14 1HG LYS 2 1HG LYS 2 -6.534 16.683 3.053 15 2HG LYS 2 2HG LYS 2 -4.788 16.811 2.837 16 1HD LYS 2 1HD LYS 2 -5.285 17.195 0.681 17 2HD LYS 2 2HD LYS 2 -5.531 15.451 0.588 18 1HE LYS 2 1HE LYS 2 -7.581 15.969 -0.154 19 2HE LYS 2 2HE LYS 2 -7.945 16.319 1.535 20 1HZ LYS 2 1HZ LYS 2 -8.616 18.149 0.147 21 2HZ LYS 2 2HZ LYS 2 -7.066 18.282 -0.514 22 3HZ LYS 2 3HZ LYS 2 -7.322 18.641 1.119 23 H PHE 3 H PHE 3 -5.200 12.121 2.289 24 HA PHE 3 HA PHE 3 -6.060 11.886 -0.467 25 1HB PHE 3 1HB PHE 3 -3.795 10.738 1.148 26 2HB PHE 3 2HB PHE 3 -4.159 10.168 -0.462 27 HD1 PHE 3 HD1 PHE 3 -3.642 11.482 -2.402 28 HD2 PHE 3 HD2 PHE 3 -3.016 13.033 1.513 29 HE1 PHE 3 HE1 PHE 3 -2.310 13.322 -3.347 30 HE2 PHE 3 HE2 PHE 3 -1.684 14.875 0.574 31 HZ PHE 3 HZ PHE 3 -1.330 15.022 -1.860 32 H ALA 4 H ALA 4 -5.945 9.459 -1.273 33 HA ALA 4 HA ALA 4 -7.209 7.573 0.528 34 1HB ALA 4 1HB ALA 4 -9.123 8.859 -0.256 35 2HB ALA 4 2HB ALA 4 -9.168 7.218 -0.900 36 3HB ALA 4 3HB ALA 4 -8.657 8.555 -1.929 37 H CYS 5 H CYS 5 -6.828 5.470 -0.042 38 HA CYS 5 HA CYS 5 -4.882 4.975 -2.082 39 1HB CYS 5 1HB CYS 5 -5.145 3.752 0.165 40 2HB CYS 5 2HB CYS 5 -6.434 2.849 -0.615 41 HG CYS 5 HG CYS 5 -4.703 1.367 -1.479 42 HA PRO 6 HA PRO 6 -7.666 4.101 -5.428 43 1HB PRO 6 1HB PRO 6 -5.994 2.710 -7.040 44 2HB PRO 6 2HB PRO 6 -5.863 4.458 -6.811 45 1HG PRO 6 1HG PRO 6 -4.287 2.256 -5.532 46 2HG PRO 6 2HG PRO 6 -3.719 3.799 -6.194 47 1HD PRO 6 1HD PRO 6 -4.097 3.385 -3.539 48 2HD PRO 6 2HD PRO 6 -4.316 4.973 -4.307 49 H GLU 7 H GLU 7 -6.098 1.607 -3.580 50 HA GLU 7 HA GLU 7 -7.801 -0.467 -4.753 51 1HB GLU 7 1HB GLU 7 -5.191 -0.433 -3.339 52 2HB GLU 7 2HB GLU 7 -6.217 -1.830 -3.072 53 1HG GLU 7 1HG GLU 7 -4.755 -2.357 -4.858 54 2HG GLU 7 2HG GLU 7 -6.356 -2.102 -5.552 55 H CYS 8 H CYS 8 -6.818 0.834 -1.577 56 HA CYS 8 HA CYS 8 -9.226 -0.393 -0.396 57 1HB CYS 8 1HB CYS 8 -8.079 -0.367 1.727 58 2HB CYS 8 2HB CYS 8 -7.044 -1.129 0.531 59 HG CYS 8 HG CYS 8 -5.350 0.603 0.889 60 HA PRO 9 HA PRO 9 -10.683 3.629 0.725 61 1HB PRO 9 1HB PRO 9 -12.139 3.136 2.903 62 2HB PRO 9 2HB PRO 9 -12.530 2.388 1.351 63 1HG PRO 9 1HG PRO 9 -11.211 1.210 3.745 64 2HG PRO 9 2HG PRO 9 -12.309 0.453 2.580 65 1HD PRO 9 1HD PRO 9 -9.495 0.277 2.601 66 2HD PRO 9 2HD PRO 9 -10.572 -0.239 1.294 67 H LYS 10 H LYS 10 -7.931 2.944 2.036 68 HA LYS 10 HA LYS 10 -8.034 4.208 4.599 69 1HB LYS 10 1HB LYS 10 -5.606 3.728 2.859 70 2HB LYS 10 2HB LYS 10 -5.599 4.128 4.555 71 1HG LYS 10 1HG LYS 10 -6.731 2.022 5.068 72 2HG LYS 10 2HG LYS 10 -6.700 1.608 3.355 73 1HD LYS 10 1HD LYS 10 -4.593 0.892 3.485 74 2HD LYS 10 2HD LYS 10 -4.078 2.370 4.300 75 1HE LYS 10 1HE LYS 10 -4.779 1.478 6.435 76 2HE LYS 10 2HE LYS 10 -5.427 0.037 5.651 77 1HZ LYS 10 1HZ LYS 10 -2.568 0.845 5.702 78 2HZ LYS 10 2HZ LYS 10 -3.184 -0.534 4.939 79 3HZ LYS 10 3HZ LYS 10 -3.263 -0.393 6.623 80 H ARG 11 H ARG 11 -7.052 6.223 5.162 81 HA ARG 11 HA ARG 11 -6.729 8.165 3.000 82 1HB ARG 11 1HB ARG 11 -8.102 9.574 4.994 83 2HB ARG 11 2HB ARG 11 -8.695 9.142 3.401 84 1HG ARG 11 1HG ARG 11 -9.203 6.852 4.735 85 2HG ARG 11 2HG ARG 11 -9.362 8.027 6.040 86 1HD ARG 11 1HD ARG 11 -11.491 8.083 5.249 87 2HD ARG 11 2HD ARG 11 -10.780 9.309 4.200 88 HE ARG 11 HE ARG 11 -10.444 7.036 2.783 89 1HH1 ARG 11 1HH1 ARG 11 -13.241 8.466 4.332 90 2HH1 ARG 11 2HH1 ARG 11 -14.365 7.792 3.200 91 1HH2 ARG 11 1HH2 ARG 11 -11.929 6.149 1.297 92 2HH2 ARG 11 2HH2 ARG 11 -13.620 6.476 1.477 93 H PHE 12 H PHE 12 -5.101 9.579 3.339 94 HA PHE 12 HA PHE 12 -4.057 9.869 6.072 95 1HB PHE 12 1HB PHE 12 -2.309 9.417 3.681 96 2HB PHE 12 2HB PHE 12 -1.790 9.528 5.347 97 HD1 PHE 12 HD1 PHE 12 -4.247 7.536 3.366 98 HD2 PHE 12 HD2 PHE 12 -1.175 7.529 6.307 99 HE1 PHE 12 HE1 PHE 12 -4.439 5.106 3.546 100 HE2 PHE 12 HE2 PHE 12 -1.366 5.080 6.495 101 HZ PHE 12 HZ PHE 12 -3.002 3.867 5.098 102 H MET 13 H MET 13 -3.041 11.797 6.552 103 HA MET 13 HA MET 13 -3.808 14.042 4.944 104 1HB MET 13 1HB MET 13 -2.154 13.816 7.461 105 2HB MET 13 2HB MET 13 -2.533 15.350 6.690 106 1HG MET 13 1HG MET 13 -4.987 14.593 6.902 107 2HG MET 13 2HG MET 13 -4.362 13.434 8.072 108 1HE MET 13 1HE MET 13 -6.162 16.824 9.600 109 2HE MET 13 2HE MET 13 -6.559 15.470 8.543 110 3HE MET 13 3HE MET 13 -5.924 16.966 7.857 111 H ARG 14 H ARG 14 -0.921 12.122 5.337 112 HA ARG 14 HA ARG 14 0.655 14.031 3.765 113 1HB ARG 14 1HB ARG 14 1.425 11.603 5.381 114 2HB ARG 14 2HB ARG 14 2.550 12.420 4.312 115 1HG ARG 14 1HG ARG 14 2.303 14.476 5.595 116 2HG ARG 14 2HG ARG 14 1.146 13.678 6.661 117 1HD ARG 14 1HD ARG 14 3.214 13.636 7.797 118 2HD ARG 14 2HD ARG 14 2.965 12.003 7.177 119 HE ARG 14 HE ARG 14 4.441 13.050 5.232 120 1HH1 ARG 14 1HH1 ARG 14 4.866 13.243 8.706 121 2HH1 ARG 14 2HH1 ARG 14 6.589 13.372 8.608 122 1HH2 ARG 14 1HH2 ARG 14 6.713 13.218 5.117 123 2HH2 ARG 14 2HH2 ARG 14 7.637 13.359 6.575 124 H SER 15 H SER 15 1.936 13.239 1.971 125 HA SER 15 HA SER 15 0.437 11.315 0.372 126 1HB SER 15 1HB SER 15 0.798 12.914 -1.118 127 2HB SER 15 2HB SER 15 2.106 13.640 -0.187 128 HG SER 15 HG SER 15 3.120 12.887 -1.945 129 H ASP 16 H ASP 16 3.739 11.850 1.561 130 HA ASP 16 HA ASP 16 4.820 9.502 0.373 131 1HB ASP 16 1HB ASP 16 6.811 9.959 1.637 132 2HB ASP 16 2HB ASP 16 6.168 11.495 1.077 133 H HIS 17 H HIS 17 3.441 10.218 3.549 134 HA HIS 17 HA HIS 17 4.120 7.727 4.739 135 1HB HIS 17 1HB HIS 17 2.186 9.919 5.407 136 2HB HIS 17 2HB HIS 17 2.121 8.395 6.279 137 HD1 HIS 17 HD1 HIS 17 2.830 9.670 8.441 138 HD2 HIS 17 HD2 HIS 17 5.640 9.733 5.384 139 HE1 HIS 17 HE1 HIS 17 4.950 10.488 9.497 140 HE2 HIS 17 HE2 HIS 17 6.619 10.603 7.615 141 H LEU 18 H LEU 18 1.218 8.922 3.070 142 HA LEU 18 HA LEU 18 -0.391 6.658 3.446 143 1HB LEU 18 1HB LEU 18 -1.104 8.887 2.544 144 2HB LEU 18 2HB LEU 18 -0.362 8.451 1.026 145 HG LEU 18 HG LEU 18 -2.439 6.662 2.210 146 1HD1 LEU 18 1HD1 LEU 18 -3.220 8.843 0.342 147 2HD1 LEU 18 2HD1 LEU 18 -3.141 9.166 2.073 148 3HD1 LEU 18 3HD1 LEU 18 -4.216 7.910 1.458 149 1HD2 LEU 18 1HD2 LEU 18 -2.787 6.818 -0.494 150 2HD2 LEU 18 2HD2 LEU 18 -1.864 5.578 0.359 151 3HD2 LEU 18 3HD2 LEU 18 -1.040 6.985 -0.319 152 H THR 19 H THR 19 1.860 7.524 0.831 153 HA THR 19 HA THR 19 1.451 5.238 -0.722 154 HB THR 19 HB THR 19 3.967 6.907 -0.469 155 HG1 THR 19 HG1 THR 19 1.693 7.156 -2.139 156 1HG2 THR 19 1HG2 THR 19 4.352 6.225 -2.835 157 2HG2 THR 19 2HG2 THR 19 3.086 5.014 -2.630 158 3HG2 THR 19 3HG2 THR 19 4.551 4.932 -1.650 159 H LEU 20 H LEU 20 3.455 5.854 2.091 160 HA LEU 20 HA LEU 20 5.106 3.584 2.007 161 1HB LEU 20 1HB LEU 20 5.065 5.677 3.596 162 2HB LEU 20 2HB LEU 20 4.036 4.670 4.591 163 HG LEU 20 HG LEU 20 6.295 4.537 5.392 164 1HD1 LEU 20 1HD1 LEU 20 4.808 2.451 5.229 165 2HD1 LEU 20 2HD1 LEU 20 6.525 2.233 5.568 166 3HD1 LEU 20 3HD1 LEU 20 5.904 1.948 3.943 167 1HD2 LEU 20 1HD2 LEU 20 7.399 5.176 3.278 168 2HD2 LEU 20 2HD2 LEU 20 7.084 3.557 2.654 169 3HD2 LEU 20 3HD2 LEU 20 8.144 3.775 4.046 170 H HIS 21 H HIS 21 1.885 4.123 3.362 171 HA HIS 21 HA HIS 21 1.435 1.667 4.582 172 1HB HIS 21 1HB HIS 21 -0.529 2.663 5.021 173 2HB HIS 21 2HB HIS 21 -0.069 3.991 3.992 174 HD1 HIS 21 HD1 HIS 21 -2.163 4.517 2.702 175 HD2 HIS 21 HD2 HIS 21 -1.367 0.462 2.787 176 HE1 HIS 21 HE1 HIS 21 -3.962 3.393 1.333 177 H ILE 22 H ILE 22 0.625 2.709 1.319 178 HA ILE 22 HA ILE 22 -0.628 0.430 0.430 179 HB ILE 22 HB ILE 22 1.020 2.189 -1.377 180 1HG1 ILE 22 1HG1 ILE 22 -1.854 2.735 -0.855 181 2HG1 ILE 22 2HG1 ILE 22 -0.731 3.227 0.388 182 1HG2 ILE 22 1HG2 ILE 22 -0.310 -0.017 -2.057 183 2HG2 ILE 22 2HG2 ILE 22 -0.263 1.406 -3.097 184 3HG2 ILE 22 3HG2 ILE 22 -1.662 1.117 -2.059 185 1HD1 ILE 22 1HD1 ILE 22 0.355 4.118 -2.021 186 2HD1 ILE 22 2HD1 ILE 22 -0.399 5.074 -0.746 187 3HD1 ILE 22 3HD1 ILE 22 -1.369 4.478 -2.089 188 H LEU 23 H LEU 23 2.697 0.681 1.159 189 HA LEU 23 HA LEU 23 3.783 -1.159 -0.674 190 1HB LEU 23 1HB LEU 23 4.538 -0.229 2.064 191 2HB LEU 23 2HB LEU 23 5.354 -1.627 1.393 192 HG LEU 23 HG LEU 23 5.219 0.883 -0.224 193 1HD1 LEU 23 1HD1 LEU 23 7.404 1.539 0.834 194 2HD1 LEU 23 2HD1 LEU 23 7.035 0.392 2.123 195 3HD1 LEU 23 3HD1 LEU 23 5.972 1.769 1.837 196 1HD2 LEU 23 1HD2 LEU 23 7.332 0.064 -1.087 197 2HD2 LEU 23 2HD2 LEU 23 6.102 -1.195 -1.199 198 3HD2 LEU 23 3HD2 LEU 23 7.319 -1.262 0.075 199 H LEU 24 H LEU 24 1.745 -1.550 2.123 200 HA LEU 24 HA LEU 24 2.237 -4.246 2.758 201 1HB LEU 24 1HB LEU 24 -0.469 -2.932 2.928 202 2HB LEU 24 2HB LEU 24 0.153 -4.239 3.913 203 HG LEU 24 HG LEU 24 1.641 -1.691 4.093 204 1HD1 LEU 24 1HD1 LEU 24 -1.008 -1.918 5.494 205 2HD1 LEU 24 2HD1 LEU 24 -0.841 -1.089 3.946 206 3HD1 LEU 24 3HD1 LEU 24 0.051 -0.515 5.355 207 1HD2 LEU 24 1HD2 LEU 24 1.705 -2.300 6.443 208 2HD2 LEU 24 2HD2 LEU 24 2.184 -3.671 5.443 209 3HD2 LEU 24 3HD2 LEU 24 0.570 -3.619 6.151 210 H HIS 25 H HIS 25 0.003 -2.739 0.456 211 HA HIS 25 HA HIS 25 -1.459 -4.935 -0.361 212 1HB HIS 25 1HB HIS 25 -0.566 -2.482 -1.870 213 2HB HIS 25 2HB HIS 25 -1.628 -3.687 -2.588 214 HD1 HIS 25 HD1 HIS 25 -3.763 -4.209 -0.658 215 HD2 HIS 25 HD2 HIS 25 -2.037 -0.444 -0.958 216 HE1 HIS 25 HE1 HIS 25 -5.426 -2.581 0.332 217 H GLU 26 H GLU 26 1.852 -4.124 -1.152 218 HA GLU 26 HA GLU 26 2.346 -5.493 -3.470 219 1HB GLU 26 1HB GLU 26 4.088 -4.232 -2.381 220 2HB GLU 26 2HB GLU 26 4.063 -5.306 -0.990 221 1HG GLU 26 1HG GLU 26 4.625 -6.576 -3.590 222 2HG GLU 26 2HG GLU 26 5.854 -5.469 -2.983 223 H ASN 27 H ASN 27 2.239 -6.877 -0.187 224 HA ASN 27 HA ASN 27 2.887 -9.518 -0.906 225 1HB ASN 27 1HB ASN 27 1.352 -8.375 1.429 226 2HB ASN 27 2HB ASN 27 1.677 -10.098 1.270 227 1HD2 ASN 27 1HD2 ASN 27 2.673 -9.401 3.434 228 2HD2 ASN 27 2HD2 ASN 27 4.353 -9.003 3.388 229 H LYS 28 H LYS 28 1.803 -10.871 -2.171 230 HA LYS 28 HA LYS 28 -0.956 -10.396 -2.853 231 1HB LYS 28 1HB LYS 28 1.014 -11.342 -4.329 232 2HB LYS 28 2HB LYS 28 0.497 -12.884 -3.662 233 1HG LYS 28 1HG LYS 28 -1.702 -12.612 -4.581 234 2HG LYS 28 2HG LYS 28 -1.322 -10.971 -5.110 235 1HD LYS 28 1HD LYS 28 0.538 -12.032 -6.500 236 2HD LYS 28 2HD LYS 28 -0.254 -13.575 -6.169 237 1HE LYS 28 1HE LYS 28 -2.362 -12.585 -7.097 238 2HE LYS 28 2HE LYS 28 -1.411 -11.187 -7.597 239 1HZ LYS 28 1HZ LYS 28 -1.668 -12.738 -9.412 240 2HZ LYS 28 2HZ LYS 28 -0.996 -13.989 -8.493 241 3HZ LYS 28 3HZ LYS 28 -0.040 -12.669 -8.949 242 H LYS 29 H LYS 29 -2.276 -10.788 -1.132 243 HA LYS 29 HA LYS 29 -3.566 -11.966 0.317 244 1HB LYS 29 1HB LYS 29 -2.878 -13.828 -1.765 245 2HB LYS 29 2HB LYS 29 -2.981 -14.675 -0.229 246 1HG LYS 29 1HG LYS 29 -5.212 -14.397 -0.070 247 2HG LYS 29 2HG LYS 29 -5.173 -12.792 -0.805 248 1HD LYS 29 1HD LYS 29 -6.068 -13.797 -2.597 249 2HD LYS 29 2HD LYS 29 -4.436 -14.398 -2.893 250 1HE LYS 29 1HE LYS 29 -5.177 -16.312 -1.263 251 2HE LYS 29 2HE LYS 29 -6.799 -15.804 -1.730 252 1HZ LYS 29 1HZ LYS 29 -6.170 -16.146 -4.057 253 2HZ LYS 29 2HZ LYS 29 -6.033 -17.570 -3.155 254 3HZ LYS 29 3HZ LYS 29 -4.644 -16.697 -3.570 Start of MODEL 25 1 H TYR 1 H TYR 1 -7.851 15.342 4.734 2 HA TYR 1 HA TYR 1 -5.934 13.182 4.192 3 1HB TYR 1 1HB TYR 1 -8.053 11.740 4.439 4 2HB TYR 1 2HB TYR 1 -7.268 12.290 5.912 5 HD1 TYR 1 HD1 TYR 1 -10.267 12.454 3.862 6 HD2 TYR 1 HD2 TYR 1 -8.306 14.086 7.267 7 HE1 TYR 1 HE1 TYR 1 -12.399 13.413 4.623 8 HE2 TYR 1 HE2 TYR 1 -10.432 15.049 8.037 9 HH TYR 1 HH TYR 1 -12.845 15.704 6.431 10 H LYS 2 H LYS 2 -5.817 14.677 2.233 11 HA LYS 2 HA LYS 2 -8.104 14.598 0.461 12 1HB LYS 2 1HB LYS 2 -5.401 15.854 0.395 13 2HB LYS 2 2HB LYS 2 -6.234 15.595 -1.131 14 1HG LYS 2 1HG LYS 2 -7.192 17.568 -0.762 15 2HG LYS 2 2HG LYS 2 -8.183 16.729 0.433 16 1HD LYS 2 1HD LYS 2 -7.355 18.447 1.709 17 2HD LYS 2 2HD LYS 2 -6.129 17.213 2.003 18 1HE LYS 2 1HE LYS 2 -4.601 18.228 0.539 19 2HE LYS 2 2HE LYS 2 -5.850 19.214 -0.218 20 1HZ LYS 2 1HZ LYS 2 -6.050 20.477 1.826 21 2HZ LYS 2 2HZ LYS 2 -4.454 20.515 1.269 22 3HZ LYS 2 3HZ LYS 2 -4.871 19.519 2.571 23 H PHE 3 H PHE 3 -5.523 12.494 1.149 24 HA PHE 3 HA PHE 3 -5.381 11.380 -1.532 25 1HB PHE 3 1HB PHE 3 -3.804 11.168 0.943 26 2HB PHE 3 2HB PHE 3 -3.976 9.662 0.060 27 HD1 PHE 3 HD1 PHE 3 -2.874 9.310 -2.024 28 HD2 PHE 3 HD2 PHE 3 -2.712 13.106 -0.105 29 HE1 PHE 3 HE1 PHE 3 -1.081 10.007 -3.558 30 HE2 PHE 3 HE2 PHE 3 -0.919 13.808 -1.636 31 HZ PHE 3 HZ PHE 3 -0.101 12.258 -3.365 32 H ALA 4 H ALA 4 -5.678 9.063 -1.885 33 HA ALA 4 HA ALA 4 -7.303 7.575 -0.016 34 1HB ALA 4 1HB ALA 4 -9.027 8.912 -1.055 35 2HB ALA 4 2HB ALA 4 -9.171 7.240 -1.600 36 3HB ALA 4 3HB ALA 4 -8.457 8.455 -2.661 37 H CYS 5 H CYS 5 -6.674 5.513 -0.127 38 HA CYS 5 HA CYS 5 -4.858 4.591 -2.091 39 1HB CYS 5 1HB CYS 5 -5.128 3.744 0.306 40 2HB CYS 5 2HB CYS 5 -6.489 2.809 -0.286 41 HG CYS 5 HG CYS 5 -4.812 1.103 -0.785 42 HA PRO 6 HA PRO 6 -7.748 3.351 -5.232 43 1HB PRO 6 1HB PRO 6 -6.069 1.928 -6.796 44 2HB PRO 6 2HB PRO 6 -6.008 3.692 -6.701 45 1HG PRO 6 1HG PRO 6 -4.285 1.661 -5.337 46 2HG PRO 6 2HG PRO 6 -3.817 3.182 -6.119 47 1HD PRO 6 1HD PRO 6 -4.099 2.910 -3.421 48 2HD PRO 6 2HD PRO 6 -4.367 4.442 -4.281 49 H GLU 7 H GLU 7 -6.022 1.132 -3.199 50 HA GLU 7 HA GLU 7 -7.605 -1.137 -4.165 51 1HB GLU 7 1HB GLU 7 -4.947 -0.964 -3.489 52 2HB GLU 7 2HB GLU 7 -5.657 -1.656 -2.037 53 1HG GLU 7 1HG GLU 7 -6.739 -2.997 -4.300 54 2HG GLU 7 2HG GLU 7 -4.985 -2.943 -4.462 55 H CYS 8 H CYS 8 -6.951 0.754 -1.227 56 HA CYS 8 HA CYS 8 -9.339 -0.485 -0.021 57 1HB CYS 8 1HB CYS 8 -8.293 -0.518 2.141 58 2HB CYS 8 2HB CYS 8 -7.238 -1.342 1.006 59 HG CYS 8 HG CYS 8 -6.537 1.593 1.581 60 HA PRO 9 HA PRO 9 -10.541 3.653 0.974 61 1HB PRO 9 1HB PRO 9 -12.226 3.258 2.996 62 2HB PRO 9 2HB PRO 9 -12.518 2.526 1.414 63 1HG PRO 9 1HG PRO 9 -11.505 1.278 3.922 64 2HG PRO 9 2HG PRO 9 -12.539 0.587 2.660 65 1HD PRO 9 1HD PRO 9 -9.744 0.242 2.936 66 2HD PRO 9 2HD PRO 9 -10.739 -0.232 1.549 67 H LYS 10 H LYS 10 -7.917 3.342 2.087 68 HA LYS 10 HA LYS 10 -8.130 4.335 4.822 69 1HB LYS 10 1HB LYS 10 -5.613 3.809 3.240 70 2HB LYS 10 2HB LYS 10 -5.734 4.098 4.947 71 1HG LYS 10 1HG LYS 10 -7.220 1.794 3.823 72 2HG LYS 10 2HG LYS 10 -5.469 1.674 4.001 73 1HD LYS 10 1HD LYS 10 -5.698 1.266 6.174 74 2HD LYS 10 2HD LYS 10 -6.554 2.793 6.389 75 1HE LYS 10 1HE LYS 10 -7.959 0.366 5.330 76 2HE LYS 10 2HE LYS 10 -7.737 0.601 7.061 77 1HZ LYS 10 1HZ LYS 10 -9.279 2.269 5.170 78 2HZ LYS 10 2HZ LYS 10 -8.794 2.863 6.677 79 3HZ LYS 10 3HZ LYS 10 -9.814 1.517 6.588 80 H ARG 11 H ARG 11 -7.255 6.297 5.493 81 HA ARG 11 HA ARG 11 -6.657 8.276 3.408 82 1HB ARG 11 1HB ARG 11 -8.445 8.776 5.786 83 2HB ARG 11 2HB ARG 11 -8.015 9.935 4.546 84 1HG ARG 11 1HG ARG 11 -9.732 9.306 3.305 85 2HG ARG 11 2HG ARG 11 -9.155 7.638 3.299 86 1HD ARG 11 1HD ARG 11 -10.620 8.740 5.667 87 2HD ARG 11 2HD ARG 11 -11.505 8.165 4.256 88 HE ARG 11 HE ARG 11 -9.881 6.093 4.789 89 1HH1 ARG 11 1HH1 ARG 11 -12.026 7.957 6.836 90 2HH1 ARG 11 2HH1 ARG 11 -12.343 6.638 7.911 91 1HH2 ARG 11 1HH2 ARG 11 -10.309 4.360 6.202 92 2HH2 ARG 11 2HH2 ARG 11 -11.369 4.595 7.552 93 H PHE 12 H PHE 12 -5.030 9.672 3.890 94 HA PHE 12 HA PHE 12 -3.982 9.693 6.636 95 1HB PHE 12 1HB PHE 12 -2.274 9.338 4.195 96 2HB PHE 12 2HB PHE 12 -1.700 9.405 5.846 97 HD1 PHE 12 HD1 PHE 12 -4.278 7.485 3.940 98 HD2 PHE 12 HD2 PHE 12 -1.046 7.370 6.702 99 HE1 PHE 12 HE1 PHE 12 -4.490 5.059 4.069 100 HE2 PHE 12 HE2 PHE 12 -1.260 4.918 6.837 101 HZ PHE 12 HZ PHE 12 -2.988 3.762 5.502 102 H MET 13 H MET 13 -2.607 11.486 7.151 103 HA MET 13 HA MET 13 -3.481 13.924 5.898 104 1HB MET 13 1HB MET 13 -1.518 13.428 8.144 105 2HB MET 13 2HB MET 13 -2.057 15.019 7.624 106 1HG MET 13 1HG MET 13 -4.325 14.508 8.264 107 2HG MET 13 2HG MET 13 -3.868 12.856 8.676 108 1HE MET 13 1HE MET 13 -2.019 13.086 11.956 109 2HE MET 13 2HE MET 13 -1.152 13.101 10.419 110 3HE MET 13 3HE MET 13 -2.598 12.109 10.606 111 H ARG 14 H ARG 14 -0.571 11.953 5.857 112 HA ARG 14 HA ARG 14 0.835 13.981 4.273 113 1HB ARG 14 1HB ARG 14 1.698 11.599 5.853 114 2HB ARG 14 2HB ARG 14 2.697 12.110 4.501 115 1HG ARG 14 1HG ARG 14 2.913 14.333 5.489 116 2HG ARG 14 2HG ARG 14 1.908 13.824 6.848 117 1HD ARG 14 1HD ARG 14 4.234 13.716 7.483 118 2HD ARG 14 2HD ARG 14 3.571 12.082 7.387 119 HE ARG 14 HE ARG 14 4.656 12.422 4.942 120 1HH1 ARG 14 1HH1 ARG 14 5.940 12.920 8.163 121 2HH1 ARG 14 2HH1 ARG 14 7.567 12.544 7.703 122 1HH2 ARG 14 1HH2 ARG 14 6.798 11.927 4.346 123 2HH2 ARG 14 2HH2 ARG 14 8.054 11.982 5.538 124 H SER 15 H SER 15 2.111 13.194 2.403 125 HA SER 15 HA SER 15 0.447 11.469 0.728 126 1HB SER 15 1HB SER 15 1.112 12.668 -1.032 127 2HB SER 15 2HB SER 15 1.538 13.871 0.180 128 HG SER 15 HG SER 15 3.640 13.361 -0.028 129 H ASP 16 H ASP 16 3.766 11.760 1.910 130 HA ASP 16 HA ASP 16 4.730 9.457 0.523 131 1HB ASP 16 1HB ASP 16 6.137 10.360 2.949 132 2HB ASP 16 2HB ASP 16 6.776 9.963 1.369 133 H HIS 17 H HIS 17 3.753 10.117 3.869 134 HA HIS 17 HA HIS 17 4.282 7.560 4.909 135 1HB HIS 17 1HB HIS 17 2.554 9.856 5.732 136 2HB HIS 17 2HB HIS 17 2.326 8.306 6.528 137 HD1 HIS 17 HD1 HIS 17 3.158 9.870 8.622 138 HD2 HIS 17 HD2 HIS 17 6.008 8.793 5.796 139 HE1 HIS 17 HE1 HIS 17 5.379 10.251 9.730 140 HE2 HIS 17 HE2 HIS 17 7.091 9.663 7.978 141 H LEU 18 H LEU 18 1.351 8.917 3.418 142 HA LEU 18 HA LEU 18 -0.334 6.716 3.843 143 1HB LEU 18 1HB LEU 18 -0.982 9.002 3.017 144 2HB LEU 18 2HB LEU 18 -0.379 8.540 1.446 145 HG LEU 18 HG LEU 18 -2.434 6.834 2.767 146 1HD1 LEU 18 1HD1 LEU 18 -3.587 8.799 3.021 147 2HD1 LEU 18 2HD1 LEU 18 -4.075 8.318 1.400 148 3HD1 LEU 18 3HD1 LEU 18 -2.828 9.550 1.623 149 1HD2 LEU 18 1HD2 LEU 18 -3.039 7.041 0.128 150 2HD2 LEU 18 2HD2 LEU 18 -2.028 5.782 0.842 151 3HD2 LEU 18 3HD2 LEU 18 -1.282 7.203 0.107 152 H THR 19 H THR 19 1.776 7.545 1.100 153 HA THR 19 HA THR 19 1.181 5.297 -0.451 154 HB THR 19 HB THR 19 3.750 6.901 -0.351 155 HG1 THR 19 HG1 THR 19 2.389 8.343 -1.077 156 1HG2 THR 19 1HG2 THR 19 2.713 4.994 -2.426 157 2HG2 THR 19 2HG2 THR 19 4.252 4.938 -1.567 158 3HG2 THR 19 3HG2 THR 19 3.950 6.209 -2.750 159 H LEU 20 H LEU 20 3.380 5.794 2.238 160 HA LEU 20 HA LEU 20 4.964 3.492 2.016 161 1HB LEU 20 1HB LEU 20 5.052 5.530 3.666 162 2HB LEU 20 2HB LEU 20 4.031 4.528 4.675 163 HG LEU 20 HG LEU 20 6.319 4.310 5.377 164 1HD1 LEU 20 1HD1 LEU 20 5.790 1.764 3.899 165 2HD1 LEU 20 2HD1 LEU 20 4.748 2.278 5.227 166 3HD1 LEU 20 3HD1 LEU 20 6.466 2.000 5.511 167 1HD2 LEU 20 1HD2 LEU 20 8.090 3.548 3.951 168 2HD2 LEU 20 2HD2 LEU 20 7.329 4.951 3.199 169 3HD2 LEU 20 3HD2 LEU 20 6.972 3.330 2.604 170 H HIS 21 H HIS 21 1.814 4.052 3.516 171 HA HIS 21 HA HIS 21 1.378 1.553 4.668 172 1HB HIS 21 1HB HIS 21 -0.549 2.557 5.250 173 2HB HIS 21 2HB HIS 21 -0.083 3.941 4.302 174 HD1 HIS 21 HD1 HIS 21 -2.128 4.643 3.032 175 HD2 HIS 21 HD2 HIS 21 -1.632 0.535 3.022 176 HE1 HIS 21 HE1 HIS 21 -4.035 3.683 1.678 177 H ILE 22 H ILE 22 0.396 2.758 1.505 178 HA ILE 22 HA ILE 22 -0.925 0.527 0.589 179 HB ILE 22 HB ILE 22 0.649 2.348 -1.223 180 1HG1 ILE 22 1HG1 ILE 22 -2.191 2.900 -0.544 181 2HG1 ILE 22 2HG1 ILE 22 -1.006 3.325 0.667 182 1HG2 ILE 22 1HG2 ILE 22 -0.622 0.219 -2.026 183 2HG2 ILE 22 2HG2 ILE 22 -0.835 1.737 -2.896 184 3HG2 ILE 22 3HG2 ILE 22 -2.062 1.201 -1.746 185 1HD1 ILE 22 1HD1 ILE 22 -1.736 4.688 -1.726 186 2HD1 ILE 22 2HD1 ILE 22 -0.014 4.311 -1.742 187 3HD1 ILE 22 3HD1 ILE 22 -0.709 5.218 -0.398 188 H LEU 23 H LEU 23 2.444 0.733 1.139 189 HA LEU 23 HA LEU 23 3.473 -0.949 -0.831 190 1HB LEU 23 1HB LEU 23 4.443 0.237 1.484 191 2HB LEU 23 2HB LEU 23 4.619 -1.479 1.774 192 HG LEU 23 HG LEU 23 5.623 -0.285 -0.782 193 1HD1 LEU 23 1HD1 LEU 23 7.801 0.063 0.258 194 2HD1 LEU 23 2HD1 LEU 23 7.129 -0.372 1.830 195 3HD1 LEU 23 3HD1 LEU 23 6.571 1.084 1.005 196 1HD2 LEU 23 1HD2 LEU 23 5.555 -2.688 -0.671 197 2HD2 LEU 23 2HD2 LEU 23 6.394 -2.679 0.881 198 3HD2 LEU 23 3HD2 LEU 23 7.234 -2.157 -0.578 199 H LEU 24 H LEU 24 1.613 -1.699 2.082 200 HA LEU 24 HA LEU 24 2.097 -4.433 2.291 201 1HB LEU 24 1HB LEU 24 -0.328 -4.557 3.143 202 2HB LEU 24 2HB LEU 24 0.831 -3.599 4.037 203 HG LEU 24 HG LEU 24 -0.269 -1.736 2.344 204 1HD1 LEU 24 1HD1 LEU 24 -2.643 -1.968 2.384 205 2HD1 LEU 24 2HD1 LEU 24 -2.529 -3.480 3.289 206 3HD1 LEU 24 3HD1 LEU 24 -1.957 -3.405 1.622 207 1HD2 LEU 24 1HD2 LEU 24 0.229 -1.604 4.785 208 2HD2 LEU 24 2HD2 LEU 24 -1.298 -2.435 5.085 209 3HD2 LEU 24 3HD2 LEU 24 -1.293 -0.851 4.310 210 H HIS 25 H HIS 25 -0.226 -2.744 0.204 211 HA HIS 25 HA HIS 25 -1.488 -5.019 -0.863 212 1HB HIS 25 1HB HIS 25 -1.042 -2.345 -2.209 213 2HB HIS 25 2HB HIS 25 -2.230 -3.554 -2.681 214 HD1 HIS 25 HD1 HIS 25 -4.059 -4.078 -0.624 215 HD2 HIS 25 HD2 HIS 25 -2.015 -0.464 -0.587 216 HE1 HIS 25 HE1 HIS 25 -5.394 -2.521 0.859 217 H GLU 26 H GLU 26 1.281 -3.126 -2.055 218 HA GLU 26 HA GLU 26 1.778 -5.114 -4.134 219 1HB GLU 26 1HB GLU 26 2.950 -2.398 -3.546 220 2HB GLU 26 2HB GLU 26 3.647 -3.475 -4.748 221 1HG GLU 26 1HG GLU 26 0.752 -2.727 -4.849 222 2HG GLU 26 2HG GLU 26 1.992 -1.663 -5.509 223 H ASN 27 H ASN 27 2.178 -6.602 -2.175 224 HA ASN 27 HA ASN 27 5.011 -7.016 -1.993 225 1HB ASN 27 1HB ASN 27 4.448 -5.318 -0.158 226 2HB ASN 27 2HB ASN 27 3.586 -6.631 0.637 227 1HD2 ASN 27 1HD2 ASN 27 6.660 -5.297 -0.167 228 2HD2 ASN 27 2HD2 ASN 27 7.621 -6.413 0.737 229 H LYS 28 H LYS 28 5.299 -9.132 -2.165 230 HA LYS 28 HA LYS 28 3.556 -10.971 -0.724 231 1HB LYS 28 1HB LYS 28 3.421 -10.538 -3.585 232 2HB LYS 28 2HB LYS 28 3.874 -12.199 -3.228 233 1HG LYS 28 1HG LYS 28 1.836 -12.722 -2.479 234 2HG LYS 28 2HG LYS 28 1.661 -11.201 -1.600 235 1HD LYS 28 1HD LYS 28 0.908 -10.059 -3.515 236 2HD LYS 28 2HD LYS 28 1.457 -11.342 -4.596 237 1HE LYS 28 1HE LYS 28 -0.852 -11.647 -4.506 238 2HE LYS 28 2HE LYS 28 -0.229 -12.832 -3.360 239 1HZ LYS 28 1HZ LYS 28 -1.300 -10.157 -2.635 240 2HZ LYS 28 2HZ LYS 28 -0.757 -11.338 -1.553 241 3HZ LYS 28 3HZ LYS 28 -2.141 -11.618 -2.484 242 H LYS 29 H LYS 29 5.846 -10.701 0.298 243 HA LYS 29 HA LYS 29 7.311 -13.102 -0.376 244 1HB LYS 29 1HB LYS 29 9.513 -11.846 -0.414 245 2HB LYS 29 2HB LYS 29 8.498 -11.668 -1.837 246 1HG LYS 29 1HG LYS 29 7.648 -9.527 -0.580 247 2HG LYS 29 2HG LYS 29 9.191 -9.676 0.263 248 1HD LYS 29 1HD LYS 29 9.403 -9.983 -2.638 249 2HD LYS 29 2HD LYS 29 8.800 -8.403 -2.136 250 1HE LYS 29 1HE LYS 29 11.201 -9.579 -0.797 251 2HE LYS 29 2HE LYS 29 11.365 -8.807 -2.374 252 1HZ LYS 29 1HZ LYS 29 11.786 -7.264 -0.553 253 2HZ LYS 29 2HZ LYS 29 10.229 -7.522 0.053 254 3HZ LYS 29 3HZ LYS 29 10.437 -6.784 -1.455 Start of MODEL 26 1 H TYR 1 H TYR 1 -6.255 12.585 6.202 2 HA TYR 1 HA TYR 1 -7.641 11.275 5.020 3 1HB TYR 1 1HB TYR 1 -10.016 11.623 4.817 4 2HB TYR 1 2HB TYR 1 -9.588 11.814 6.511 5 HD1 TYR 1 HD1 TYR 1 -11.339 13.230 3.795 6 HD2 TYR 1 HD2 TYR 1 -9.155 14.288 7.291 7 HE1 TYR 1 HE1 TYR 1 -12.439 15.428 3.812 8 HE2 TYR 1 HE2 TYR 1 -10.250 16.489 7.316 9 HH TYR 1 HH TYR 1 -11.546 17.926 5.001 10 H LYS 2 H LYS 2 -5.889 13.434 4.293 11 HA LYS 2 HA LYS 2 -6.999 15.095 2.297 12 1HB LYS 2 1HB LYS 2 -4.188 14.195 2.883 13 2HB LYS 2 2HB LYS 2 -4.555 15.242 1.520 14 1HG LYS 2 1HG LYS 2 -5.755 16.220 3.962 15 2HG LYS 2 2HG LYS 2 -4.010 16.020 4.124 16 1HD LYS 2 1HD LYS 2 -3.585 17.764 2.789 17 2HD LYS 2 2HD LYS 2 -4.771 17.239 1.593 18 1HE LYS 2 1HE LYS 2 -5.615 19.281 2.320 19 2HE LYS 2 2HE LYS 2 -6.525 18.106 3.268 20 1HZ LYS 2 1HZ LYS 2 -5.066 18.497 5.132 21 2HZ LYS 2 2HZ LYS 2 -5.720 19.967 4.611 22 3HZ LYS 2 3HZ LYS 2 -4.123 19.570 4.224 23 H PHE 3 H PHE 3 -5.146 12.051 2.020 24 HA PHE 3 HA PHE 3 -6.030 11.842 -0.771 25 1HB PHE 3 1HB PHE 3 -3.618 10.982 0.719 26 2HB PHE 3 2HB PHE 3 -4.195 9.890 -0.523 27 HD1 PHE 3 HD1 PHE 3 -2.175 12.674 0.146 28 HD2 PHE 3 HD2 PHE 3 -4.698 11.005 -2.848 29 HE1 PHE 3 HE1 PHE 3 -1.052 14.046 -1.560 30 HE2 PHE 3 HE2 PHE 3 -3.578 12.373 -4.559 31 HZ PHE 3 HZ PHE 3 -1.753 13.896 -3.916 32 H ALA 4 H ALA 4 -6.063 9.380 -1.441 33 HA ALA 4 HA ALA 4 -7.269 7.637 0.535 34 1HB ALA 4 1HB ALA 4 -8.841 8.537 -1.879 35 2HB ALA 4 2HB ALA 4 -9.187 8.958 -0.201 36 3HB ALA 4 3HB ALA 4 -9.329 7.284 -0.739 37 H CYS 5 H CYS 5 -6.799 5.539 0.106 38 HA CYS 5 HA CYS 5 -5.050 4.905 -2.032 39 1HB CYS 5 1HB CYS 5 -5.259 3.755 0.272 40 2HB CYS 5 2HB CYS 5 -6.560 2.831 -0.465 41 HG CYS 5 HG CYS 5 -4.665 1.341 -1.020 42 HA PRO 6 HA PRO 6 -8.020 3.957 -5.192 43 1HB PRO 6 1HB PRO 6 -6.377 2.732 -6.944 44 2HB PRO 6 2HB PRO 6 -6.312 4.474 -6.655 45 1HG PRO 6 1HG PRO 6 -4.559 2.307 -5.565 46 2HG PRO 6 2HG PRO 6 -4.105 3.904 -6.189 47 1HD PRO 6 1HD PRO 6 -4.326 3.339 -3.532 48 2HD PRO 6 2HD PRO 6 -4.606 4.956 -4.212 49 H GLU 7 H GLU 7 -6.175 1.549 -3.487 50 HA GLU 7 HA GLU 7 -7.781 -0.627 -4.615 51 1HB GLU 7 1HB GLU 7 -5.118 -0.527 -4.142 52 2HB GLU 7 2HB GLU 7 -5.671 -1.231 -2.630 53 1HG GLU 7 1HG GLU 7 -6.856 -2.466 -4.993 54 2HG GLU 7 2HG GLU 7 -5.101 -2.605 -4.921 55 H CYS 8 H CYS 8 -6.801 0.708 -1.443 56 HA CYS 8 HA CYS 8 -9.108 -0.687 -0.246 57 1HB CYS 8 1HB CYS 8 -7.949 -0.709 1.842 58 2HB CYS 8 2HB CYS 8 -6.833 -1.288 0.619 59 HG CYS 8 HG CYS 8 -6.570 1.675 1.415 60 HA PRO 9 HA PRO 9 -10.765 3.211 1.003 61 1HB PRO 9 1HB PRO 9 -12.153 2.566 3.193 62 2HB PRO 9 2HB PRO 9 -12.537 1.859 1.621 63 1HG PRO 9 1HG PRO 9 -11.136 0.651 3.947 64 2HG PRO 9 2HG PRO 9 -12.192 -0.113 2.748 65 1HD PRO 9 1HD PRO 9 -9.364 -0.114 2.766 66 2HD PRO 9 2HD PRO 9 -10.414 -0.667 1.452 67 H LYS 10 H LYS 10 -8.023 3.171 1.821 68 HA LYS 10 HA LYS 10 -8.036 4.147 4.571 69 1HB LYS 10 1HB LYS 10 -5.757 3.624 2.656 70 2HB LYS 10 2HB LYS 10 -5.552 4.280 4.255 71 1HG LYS 10 1HG LYS 10 -7.038 1.731 4.000 72 2HG LYS 10 2HG LYS 10 -5.288 1.710 3.771 73 1HD LYS 10 1HD LYS 10 -4.999 2.785 5.959 74 2HD LYS 10 2HD LYS 10 -6.750 2.779 6.186 75 1HE LYS 10 1HE LYS 10 -6.827 0.423 6.301 76 2HE LYS 10 2HE LYS 10 -5.185 0.263 5.678 77 1HZ LYS 10 1HZ LYS 10 -5.299 -0.125 8.068 78 2HZ LYS 10 2HZ LYS 10 -5.909 1.433 8.311 79 3HZ LYS 10 3HZ LYS 10 -4.340 1.223 7.716 80 H ARG 11 H ARG 11 -6.883 6.164 5.066 81 HA ARG 11 HA ARG 11 -6.769 8.160 2.954 82 1HB ARG 11 1HB ARG 11 -8.203 9.743 4.268 83 2HB ARG 11 2HB ARG 11 -9.070 8.386 3.567 84 1HG ARG 11 1HG ARG 11 -9.075 7.258 5.730 85 2HG ARG 11 2HG ARG 11 -8.189 8.611 6.439 86 1HD ARG 11 1HD ARG 11 -10.014 9.933 6.525 87 2HD ARG 11 2HD ARG 11 -10.655 9.328 4.999 88 HE ARG 11 HE ARG 11 -10.916 7.286 6.866 89 1HH1 ARG 11 1HH1 ARG 11 -12.154 10.522 6.370 90 2HH1 ARG 11 2HH1 ARG 11 -13.647 10.211 7.188 91 1HH2 ARG 11 1HH2 ARG 11 -12.887 6.879 7.943 92 2HH2 ARG 11 2HH2 ARG 11 -14.064 8.143 8.082 93 H PHE 12 H PHE 12 -5.143 9.577 3.289 94 HA PHE 12 HA PHE 12 -4.112 9.909 6.019 95 1HB PHE 12 1HB PHE 12 -2.301 9.444 3.681 96 2HB PHE 12 2HB PHE 12 -1.855 9.498 5.371 97 HD1 PHE 12 HD1 PHE 12 -4.169 7.606 3.147 98 HD2 PHE 12 HD2 PHE 12 -1.405 7.467 6.376 99 HE1 PHE 12 HE1 PHE 12 -4.412 5.176 3.236 100 HE2 PHE 12 HE2 PHE 12 -1.650 5.017 6.476 101 HZ PHE 12 HZ PHE 12 -3.157 3.869 4.891 102 H MET 13 H MET 13 -3.141 11.858 6.475 103 HA MET 13 HA MET 13 -3.860 14.055 4.778 104 1HB MET 13 1HB MET 13 -2.421 13.832 7.412 105 2HB MET 13 2HB MET 13 -2.545 15.368 6.565 106 1HG MET 13 1HG MET 13 -5.127 14.580 6.536 107 2HG MET 13 2HG MET 13 -4.578 13.850 8.042 108 1HE MET 13 1HE MET 13 -3.561 16.820 10.237 109 2HE MET 13 2HE MET 13 -2.564 15.660 9.360 110 3HE MET 13 3HE MET 13 -4.023 15.119 10.190 111 H ARG 14 H ARG 14 -0.999 12.144 5.295 112 HA ARG 14 HA ARG 14 0.657 14.046 3.800 113 1HB ARG 14 1HB ARG 14 1.361 11.564 5.371 114 2HB ARG 14 2HB ARG 14 2.528 12.488 4.442 115 1HG ARG 14 1HG ARG 14 2.848 13.351 6.536 116 2HG ARG 14 2HG ARG 14 1.665 14.486 5.884 117 1HD ARG 14 1HD ARG 14 0.136 13.911 7.403 118 2HD ARG 14 2HD ARG 14 0.405 12.188 7.131 119 HE ARG 14 HE ARG 14 2.562 12.999 8.600 120 1HH1 ARG 14 1HH1 ARG 14 -0.908 13.129 9.048 121 2HH1 ARG 14 2HH1 ARG 14 -0.811 13.043 10.774 122 1HH2 ARG 14 1HH2 ARG 14 2.684 12.885 10.872 123 2HH2 ARG 14 2HH2 ARG 14 1.228 12.904 11.811 124 H SER 15 H SER 15 1.963 13.293 2.031 125 HA SER 15 HA SER 15 0.542 11.364 0.373 126 1HB SER 15 1HB SER 15 1.134 12.656 -1.315 127 2HB SER 15 2HB SER 15 1.837 13.781 -0.159 128 HG SER 15 HG SER 15 3.798 13.071 -0.636 129 H ASP 16 H ASP 16 3.801 11.923 1.648 130 HA ASP 16 HA ASP 16 4.953 9.570 0.556 131 1HB ASP 16 1HB ASP 16 6.607 10.018 2.610 132 2HB ASP 16 2HB ASP 16 6.651 10.988 1.146 133 H HIS 17 H HIS 17 3.649 10.329 3.776 134 HA HIS 17 HA HIS 17 4.167 7.833 4.961 135 1HB HIS 17 1HB HIS 17 2.081 9.938 5.534 136 2HB HIS 17 2HB HIS 17 2.265 8.488 6.509 137 HD1 HIS 17 HD1 HIS 17 2.715 10.472 8.357 138 HD2 HIS 17 HD2 HIS 17 5.697 9.757 5.552 139 HE1 HIS 17 HE1 HIS 17 4.796 11.503 9.312 140 HE2 HIS 17 HE2 HIS 17 6.571 11.126 7.564 141 H LEU 18 H LEU 18 1.327 9.048 3.205 142 HA LEU 18 HA LEU 18 -0.345 6.840 3.546 143 1HB LEU 18 1HB LEU 18 -0.961 9.052 2.574 144 2HB LEU 18 2HB LEU 18 -0.140 8.594 1.105 145 HG LEU 18 HG LEU 18 -2.333 6.875 2.177 146 1HD1 LEU 18 1HD1 LEU 18 -3.933 8.160 0.833 147 2HD1 LEU 18 2HD1 LEU 18 -2.675 9.355 0.516 148 3HD1 LEU 18 3HD1 LEU 18 -3.260 9.109 2.160 149 1HD2 LEU 18 1HD2 LEU 18 -1.694 5.741 0.377 150 2HD2 LEU 18 2HD2 LEU 18 -0.767 7.102 -0.260 151 3HD2 LEU 18 3HD2 LEU 18 -2.505 7.008 -0.550 152 H THR 19 H THR 19 2.019 7.557 0.980 153 HA THR 19 HA THR 19 1.570 5.245 -0.519 154 HB THR 19 HB THR 19 4.138 6.829 -0.258 155 HG1 THR 19 HG1 THR 19 1.893 7.120 -1.960 156 1HG2 THR 19 1HG2 THR 19 4.675 4.813 -1.383 157 2HG2 THR 19 2HG2 THR 19 4.524 6.074 -2.606 158 3HG2 THR 19 3HG2 THR 19 3.222 4.908 -2.378 159 H LEU 20 H LEU 20 3.510 5.830 2.351 160 HA LEU 20 HA LEU 20 5.115 3.534 2.336 161 1HB LEU 20 1HB LEU 20 5.213 5.527 3.916 162 2HB LEU 20 2HB LEU 20 3.885 4.796 4.792 163 HG LEU 20 HG LEU 20 6.097 4.398 5.825 164 1HD1 LEU 20 1HD1 LEU 20 5.536 2.337 6.580 165 2HD1 LEU 20 2HD1 LEU 20 5.208 1.708 4.965 166 3HD1 LEU 20 3HD1 LEU 20 4.028 2.746 5.764 167 1HD2 LEU 20 1HD2 LEU 20 7.319 4.235 3.635 168 2HD2 LEU 20 2HD2 LEU 20 6.663 2.606 3.477 169 3HD2 LEU 20 3HD2 LEU 20 7.731 3.000 4.824 170 H HIS 21 H HIS 21 1.828 4.090 3.501 171 HA HIS 21 HA HIS 21 1.291 1.617 4.663 172 1HB HIS 21 1HB HIS 21 -0.691 2.616 5.015 173 2HB HIS 21 2HB HIS 21 -0.125 3.985 4.100 174 HD1 HIS 21 HD1 HIS 21 -1.983 4.665 2.573 175 HD2 HIS 21 HD2 HIS 21 -1.563 0.555 2.752 176 HE1 HIS 21 HE1 HIS 21 -3.752 3.688 1.056 177 H ILE 22 H ILE 22 0.635 2.726 1.380 178 HA ILE 22 HA ILE 22 -0.609 0.483 0.404 179 HB ILE 22 HB ILE 22 1.166 2.235 -1.287 180 1HG1 ILE 22 1HG1 ILE 22 -1.734 2.790 -0.922 181 2HG1 ILE 22 2HG1 ILE 22 -0.667 3.277 0.375 182 1HG2 ILE 22 1HG2 ILE 22 -0.201 0.036 -2.038 183 2HG2 ILE 22 2HG2 ILE 22 0.053 1.426 -3.091 184 3HG2 ILE 22 3HG2 ILE 22 -1.464 1.256 -2.204 185 1HD1 ILE 22 1HD1 ILE 22 0.545 4.170 -1.965 186 2HD1 ILE 22 2HD1 ILE 22 -0.295 5.129 -0.746 187 3HD1 ILE 22 3HD1 ILE 22 -1.173 4.519 -2.147 188 H LEU 23 H LEU 23 2.667 0.609 1.336 189 HA LEU 23 HA LEU 23 3.863 -1.142 -0.482 190 1HB LEU 23 1HB LEU 23 4.388 -0.266 2.275 191 2HB LEU 23 2HB LEU 23 5.010 -1.860 1.898 192 HG LEU 23 HG LEU 23 5.719 -0.117 -0.242 193 1HD1 LEU 23 1HD1 LEU 23 5.447 1.754 1.243 194 2HD1 LEU 23 2HD1 LEU 23 7.169 1.454 1.006 195 3HD1 LEU 23 3HD1 LEU 23 6.382 0.944 2.499 196 1HD2 LEU 23 1HD2 LEU 23 6.796 -2.241 0.874 197 2HD2 LEU 23 2HD2 LEU 23 7.666 -1.031 1.816 198 3HD2 LEU 23 3HD2 LEU 23 7.794 -1.037 0.058 199 H LEU 24 H LEU 24 1.688 -1.736 2.239 200 HA LEU 24 HA LEU 24 2.009 -4.504 2.503 201 1HB LEU 24 1HB LEU 24 -0.398 -4.483 3.301 202 2HB LEU 24 2HB LEU 24 0.738 -3.470 4.168 203 HG LEU 24 HG LEU 24 -0.259 -1.706 2.338 204 1HD1 LEU 24 1HD1 LEU 24 -2.605 -1.928 2.152 205 2HD1 LEU 24 2HD1 LEU 24 -2.624 -3.330 3.226 206 3HD1 LEU 24 3HD1 LEU 24 -1.906 -3.459 1.621 207 1HD2 LEU 24 1HD2 LEU 24 -1.571 -2.216 4.988 208 2HD2 LEU 24 2HD2 LEU 24 -1.298 -0.675 4.175 209 3HD2 LEU 24 3HD2 LEU 24 0.064 -1.569 4.852 210 H HIS 25 H HIS 25 0.068 -2.655 0.206 211 HA HIS 25 HA HIS 25 -1.479 -4.729 -0.846 212 1HB HIS 25 1HB HIS 25 -0.499 -2.144 -2.040 213 2HB HIS 25 2HB HIS 25 -1.546 -3.245 -2.928 214 HD1 HIS 25 HD1 HIS 25 -3.819 -3.906 -1.317 215 HD2 HIS 25 HD2 HIS 25 -1.911 -0.252 -0.787 216 HE1 HIS 25 HE1 HIS 25 -5.482 -2.395 -0.159 217 H GLU 26 H GLU 26 1.892 -4.007 -1.351 218 HA GLU 26 HA GLU 26 2.371 -5.116 -3.838 219 1HB GLU 26 1HB GLU 26 4.621 -5.178 -3.275 220 2HB GLU 26 2HB GLU 26 3.992 -3.958 -2.179 221 1HG GLU 26 1HG GLU 26 3.868 -5.683 -0.406 222 2HG GLU 26 2HG GLU 26 4.619 -6.827 -1.515 223 H ASN 27 H ASN 27 1.853 -6.764 -0.760 224 HA ASN 27 HA ASN 27 2.618 -9.350 -1.675 225 1HB ASN 27 1HB ASN 27 2.416 -8.525 0.755 226 2HB ASN 27 2HB ASN 27 0.690 -8.829 0.584 227 1HD2 ASN 27 1HD2 ASN 27 -0.034 -10.968 0.289 228 2HD2 ASN 27 2HD2 ASN 27 0.953 -12.316 0.726 229 H LYS 28 H LYS 28 1.474 -10.889 -2.708 230 HA LYS 28 HA LYS 28 -1.426 -10.557 -2.991 231 1HB LYS 28 1HB LYS 28 0.314 -9.856 -5.015 232 2HB LYS 28 2HB LYS 28 -0.149 -11.496 -5.449 233 1HG LYS 28 1HG LYS 28 -1.719 -10.196 -6.538 234 2HG LYS 28 2HG LYS 28 -2.563 -10.686 -5.068 235 1HD LYS 28 1HD LYS 28 -1.061 -8.230 -4.693 236 2HD LYS 28 2HD LYS 28 -2.232 -8.094 -6.007 237 1HE LYS 28 1HE LYS 28 -3.977 -8.965 -4.466 238 2HE LYS 28 2HE LYS 28 -2.789 -8.937 -3.164 239 1HZ LYS 28 1HZ LYS 28 -3.712 -6.577 -4.716 240 2HZ LYS 28 2HZ LYS 28 -2.568 -6.546 -3.469 241 3HZ LYS 28 3HZ LYS 28 -4.173 -6.963 -3.134 242 H LYS 29 H LYS 29 -2.559 -12.478 -3.617 243 HA LYS 29 HA LYS 29 -1.118 -14.927 -2.854 244 1HB LYS 29 1HB LYS 29 -3.326 -15.860 -2.290 245 2HB LYS 29 2HB LYS 29 -2.978 -14.397 -1.382 246 1HG LYS 29 1HG LYS 29 -5.056 -13.814 -1.974 247 2HG LYS 29 2HG LYS 29 -4.305 -13.366 -3.506 248 1HD LYS 29 1HD LYS 29 -5.174 -15.156 -4.613 249 2HD LYS 29 2HD LYS 29 -5.134 -16.194 -3.187 250 1HE LYS 29 1HE LYS 29 -6.982 -13.961 -2.908 251 2HE LYS 29 2HE LYS 29 -7.372 -15.000 -4.278 252 1HZ LYS 29 1HZ LYS 29 -8.463 -15.709 -2.221 253 2HZ LYS 29 2HZ LYS 29 -6.956 -15.946 -1.493 254 3HZ LYS 29 3HZ LYS 29 -7.415 -16.898 -2.813 Start of MODEL 27 1 H TYR 1 H TYR 1 -8.756 16.314 4.086 2 HA TYR 1 HA TYR 1 -6.204 14.917 3.678 3 1HB TYR 1 1HB TYR 1 -8.823 14.004 4.891 4 2HB TYR 1 2HB TYR 1 -7.280 13.160 4.938 5 HD1 TYR 1 HD1 TYR 1 -5.397 14.147 6.298 6 HD2 TYR 1 HD2 TYR 1 -9.387 15.608 6.527 7 HE1 TYR 1 HE1 TYR 1 -4.872 15.232 8.441 8 HE2 TYR 1 HE2 TYR 1 -8.872 16.697 8.670 9 HH TYR 1 HH TYR 1 -6.901 16.113 10.606 10 H LYS 2 H LYS 2 -6.496 15.292 1.324 11 HA LYS 2 HA LYS 2 -8.660 13.756 0.095 12 1HB LYS 2 1HB LYS 2 -6.562 15.529 -1.171 13 2HB LYS 2 2HB LYS 2 -7.895 14.760 -2.020 14 1HG LYS 2 1HG LYS 2 -8.163 16.818 0.165 15 2HG LYS 2 2HG LYS 2 -8.338 17.117 -1.565 16 1HD LYS 2 1HD LYS 2 -10.164 15.327 -1.509 17 2HD LYS 2 2HD LYS 2 -10.110 15.500 0.246 18 1HE LYS 2 1HE LYS 2 -11.698 17.059 -0.153 19 2HE LYS 2 2HE LYS 2 -10.294 18.083 -0.448 20 1HZ LYS 2 1HZ LYS 2 -11.871 16.647 -2.516 21 2HZ LYS 2 2HZ LYS 2 -10.495 17.583 -2.818 22 3HZ LYS 2 3HZ LYS 2 -11.899 18.313 -2.218 23 H PHE 3 H PHE 3 -6.174 12.586 1.471 24 HA PHE 3 HA PHE 3 -4.857 11.230 -0.721 25 1HB PHE 3 1HB PHE 3 -4.391 10.640 2.186 26 2HB PHE 3 2HB PHE 3 -3.282 10.530 0.845 27 HD1 PHE 3 HD1 PHE 3 -4.885 12.819 3.207 28 HD2 PHE 3 HD2 PHE 3 -2.021 12.418 0.087 29 HE1 PHE 3 HE1 PHE 3 -3.974 15.034 3.764 30 HE2 PHE 3 HE2 PHE 3 -1.105 14.633 0.638 31 HZ PHE 3 HZ PHE 3 -2.081 15.945 2.479 32 H ALA 4 H ALA 4 -5.817 9.498 -1.575 33 HA ALA 4 HA ALA 4 -7.082 7.554 0.234 34 1HB ALA 4 1HB ALA 4 -8.236 8.472 -2.397 35 2HB ALA 4 2HB ALA 4 -8.860 8.870 -0.796 36 3HB ALA 4 3HB ALA 4 -8.892 7.201 -1.365 37 H CYS 5 H CYS 5 -6.854 5.410 -0.307 38 HA CYS 5 HA CYS 5 -4.720 4.805 -2.172 39 1HB CYS 5 1HB CYS 5 -4.837 3.757 0.083 40 2HB CYS 5 2HB CYS 5 -6.306 2.931 -0.404 41 HG CYS 5 HG CYS 5 -4.753 1.150 -1.058 42 HA PRO 6 HA PRO 6 -7.438 3.686 -5.503 43 1HB PRO 6 1HB PRO 6 -5.701 2.221 -6.987 44 2HB PRO 6 2HB PRO 6 -5.631 3.984 -6.891 45 1HG PRO 6 1HG PRO 6 -4.004 1.941 -5.424 46 2HG PRO 6 2HG PRO 6 -3.476 3.448 -6.196 47 1HD PRO 6 1HD PRO 6 -3.872 3.238 -3.526 48 2HD PRO 6 2HD PRO 6 -4.161 4.748 -4.420 49 H GLU 7 H GLU 7 -5.881 1.365 -3.444 50 HA GLU 7 HA GLU 7 -7.480 -0.832 -4.523 51 1HB GLU 7 1HB GLU 7 -4.975 -0.634 -2.926 52 2HB GLU 7 2HB GLU 7 -5.984 -2.051 -2.699 53 1HG GLU 7 1HG GLU 7 -4.423 -2.662 -4.325 54 2HG GLU 7 2HG GLU 7 -5.909 -2.335 -5.215 55 H CYS 8 H CYS 8 -6.881 0.971 -1.520 56 HA CYS 8 HA CYS 8 -9.360 -0.191 -0.432 57 1HB CYS 8 1HB CYS 8 -8.359 -0.356 1.762 58 2HB CYS 8 2HB CYS 8 -7.366 -1.229 0.610 59 HG CYS 8 HG CYS 8 -5.493 0.347 0.981 60 HA PRO 9 HA PRO 9 -10.344 3.963 0.744 61 1HB PRO 9 1HB PRO 9 -12.167 3.555 2.635 62 2HB PRO 9 2HB PRO 9 -12.405 2.927 1.000 63 1HG PRO 9 1HG PRO 9 -11.607 1.488 3.485 64 2HG PRO 9 2HG PRO 9 -12.610 0.930 2.136 65 1HD PRO 9 1HD PRO 9 -9.857 0.404 2.531 66 2HD PRO 9 2HD PRO 9 -10.803 0.065 1.071 67 H LYS 10 H LYS 10 -7.832 3.683 1.847 68 HA LYS 10 HA LYS 10 -8.076 4.322 4.686 69 1HB LYS 10 1HB LYS 10 -5.527 4.022 3.091 70 2HB LYS 10 2HB LYS 10 -5.691 4.067 4.821 71 1HG LYS 10 1HG LYS 10 -7.057 1.935 3.254 72 2HG LYS 10 2HG LYS 10 -5.347 1.799 3.667 73 1HD LYS 10 1HD LYS 10 -6.095 0.854 5.562 74 2HD LYS 10 2HD LYS 10 -6.444 2.510 6.062 75 1HE LYS 10 1HE LYS 10 -8.442 1.383 6.466 76 2HE LYS 10 2HE LYS 10 -8.714 2.162 4.908 77 1HZ LYS 10 1HZ LYS 10 -7.994 -0.683 5.359 78 2HZ LYS 10 2HZ LYS 10 -8.116 0.043 3.837 79 3HZ LYS 10 3HZ LYS 10 -9.485 -0.091 4.821 80 H ARG 11 H ARG 11 -7.144 6.196 5.593 81 HA ARG 11 HA ARG 11 -6.619 8.419 3.742 82 1HB ARG 11 1HB ARG 11 -7.963 9.921 5.202 83 2HB ARG 11 2HB ARG 11 -8.925 8.694 4.391 84 1HG ARG 11 1HG ARG 11 -8.052 7.743 6.961 85 2HG ARG 11 2HG ARG 11 -8.873 9.297 7.117 86 1HD ARG 11 1HD ARG 11 -10.671 7.891 7.225 87 2HD ARG 11 2HD ARG 11 -10.603 8.162 5.485 88 HE ARG 11 HE ARG 11 -10.083 5.957 5.200 89 1HH1 ARG 11 1HH1 ARG 11 -9.501 6.789 8.553 90 2HH1 ARG 11 2HH1 ARG 11 -9.199 5.154 9.033 91 1HH2 ARG 11 1HH2 ARG 11 -9.687 3.805 5.842 92 2HH2 ARG 11 2HH2 ARG 11 -9.303 3.462 7.496 93 H PHE 12 H PHE 12 -4.932 9.691 4.304 94 HA PHE 12 HA PHE 12 -3.841 9.413 7.024 95 1HB PHE 12 1HB PHE 12 -2.254 9.385 4.479 96 2HB PHE 12 2HB PHE 12 -1.576 9.302 6.091 97 HD1 PHE 12 HD1 PHE 12 -4.216 7.545 4.132 98 HD2 PHE 12 HD2 PHE 12 -0.876 7.193 6.739 99 HE1 PHE 12 HE1 PHE 12 -4.413 5.116 4.037 100 HE2 PHE 12 HE2 PHE 12 -1.074 4.737 6.648 101 HZ PHE 12 HZ PHE 12 -2.855 3.700 5.280 102 H MET 13 H MET 13 -2.112 11.105 7.466 103 HA MET 13 HA MET 13 -3.226 13.697 6.834 104 1HB MET 13 1HB MET 13 -1.001 12.763 8.638 105 2HB MET 13 2HB MET 13 -1.288 14.472 8.337 106 1HG MET 13 1HG MET 13 -2.663 14.389 10.077 107 2HG MET 13 2HG MET 13 -3.784 13.556 9.000 108 1HE MET 13 1HE MET 13 -1.947 13.596 12.154 109 2HE MET 13 2HE MET 13 -0.626 12.684 11.420 110 3HE MET 13 3HE MET 13 -1.654 11.925 12.636 111 H ARG 14 H ARG 14 -0.250 11.904 6.152 112 HA ARG 14 HA ARG 14 0.687 14.099 4.445 113 1HB ARG 14 1HB ARG 14 2.028 11.792 5.792 114 2HB ARG 14 2HB ARG 14 2.755 12.463 4.342 115 1HG ARG 14 1HG ARG 14 3.825 13.646 5.990 116 2HG ARG 14 2HG ARG 14 2.498 14.733 5.579 117 1HD ARG 14 1HD ARG 14 1.949 14.733 7.736 118 2HD ARG 14 2HD ARG 14 1.452 13.051 7.535 119 HE ARG 14 HE ARG 14 3.276 12.416 8.745 120 1HH1 ARG 14 1HH1 ARG 14 3.818 15.688 7.614 121 2HH1 ARG 14 2HH1 ARG 14 5.281 15.887 8.518 122 1HH2 ARG 14 1HH2 ARG 14 5.200 12.689 9.936 123 2HH2 ARG 14 2HH2 ARG 14 6.066 14.186 9.835 124 H SER 15 H SER 15 1.749 13.447 2.378 125 HA SER 15 HA SER 15 -0.024 11.662 0.920 126 1HB SER 15 1HB SER 15 0.181 13.334 -0.519 127 2HB SER 15 2HB SER 15 1.631 13.966 0.256 128 HG SER 15 HG SER 15 1.366 12.184 -1.872 129 H ASP 16 H ASP 16 3.452 12.037 1.564 130 HA ASP 16 HA ASP 16 4.250 9.718 0.133 131 1HB ASP 16 1HB ASP 16 5.605 11.813 1.142 132 2HB ASP 16 2HB ASP 16 5.920 10.623 2.400 133 H HIS 17 H HIS 17 3.429 10.332 3.520 134 HA HIS 17 HA HIS 17 4.195 7.829 4.558 135 1HB HIS 17 1HB HIS 17 2.317 9.985 5.444 136 2HB HIS 17 2HB HIS 17 2.290 8.433 6.270 137 HD1 HIS 17 HD1 HIS 17 3.074 10.048 8.314 138 HD2 HIS 17 HD2 HIS 17 5.854 9.333 5.310 139 HE1 HIS 17 HE1 HIS 17 5.298 10.671 9.296 140 HE2 HIS 17 HE2 HIS 17 6.957 10.310 7.435 141 H LEU 18 H LEU 18 1.041 8.990 3.351 142 HA LEU 18 HA LEU 18 -0.430 6.659 3.796 143 1HB LEU 18 1HB LEU 18 -1.375 8.841 3.123 144 2HB LEU 18 2HB LEU 18 -0.724 8.620 1.523 145 HG LEU 18 HG LEU 18 -2.584 6.565 2.631 146 1HD1 LEU 18 1HD1 LEU 18 -3.786 8.749 1.070 147 2HD1 LEU 18 2HD1 LEU 18 -3.371 9.122 2.742 148 3HD1 LEU 18 3HD1 LEU 18 -4.460 7.782 2.380 149 1HD2 LEU 18 1HD2 LEU 18 -1.354 7.173 0.114 150 2HD2 LEU 18 2HD2 LEU 18 -3.111 7.165 -0.040 151 3HD2 LEU 18 3HD2 LEU 18 -2.273 5.748 0.602 152 H THR 19 H THR 19 1.548 7.657 1.031 153 HA THR 19 HA THR 19 0.957 5.475 -0.611 154 HB THR 19 HB THR 19 3.514 7.096 -0.530 155 HG1 THR 19 HG1 THR 19 2.175 8.616 -1.088 156 1HG2 THR 19 1HG2 THR 19 3.585 6.601 -2.972 157 2HG2 THR 19 2HG2 THR 19 2.318 5.403 -2.706 158 3HG2 THR 19 3HG2 THR 19 3.889 5.213 -1.928 159 H LEU 20 H LEU 20 3.305 5.915 1.980 160 HA LEU 20 HA LEU 20 4.877 3.624 1.552 161 1HB LEU 20 1HB LEU 20 5.337 5.513 3.164 162 2HB LEU 20 2HB LEU 20 4.142 4.807 4.233 163 HG LEU 20 HG LEU 20 5.652 2.658 3.993 164 1HD1 LEU 20 1HD1 LEU 20 7.625 4.878 3.481 165 2HD1 LEU 20 2HD1 LEU 20 7.134 3.658 2.306 166 3HD1 LEU 20 3HD1 LEU 20 8.005 3.180 3.763 167 1HD2 LEU 20 1HD2 LEU 20 6.376 5.041 5.697 168 2HD2 LEU 20 2HD2 LEU 20 6.900 3.381 5.983 169 3HD2 LEU 20 3HD2 LEU 20 5.189 3.795 6.085 170 H HIS 21 H HIS 21 1.794 4.115 3.162 171 HA HIS 21 HA HIS 21 1.471 1.639 4.409 172 1HB HIS 21 1HB HIS 21 -0.458 2.612 5.019 173 2HB HIS 21 2HB HIS 21 -0.043 3.981 4.028 174 HD1 HIS 21 HD1 HIS 21 -2.152 4.619 2.838 175 HD2 HIS 21 HD2 HIS 21 -1.560 0.520 2.857 176 HE1 HIS 21 HE1 HIS 21 -4.063 3.606 1.535 177 H ILE 22 H ILE 22 0.504 2.735 1.212 178 HA ILE 22 HA ILE 22 -0.825 0.431 0.406 179 HB ILE 22 HB ILE 22 0.608 2.258 -1.513 180 1HG1 ILE 22 1HG1 ILE 22 -2.198 2.803 -0.710 181 2HG1 ILE 22 2HG1 ILE 22 -0.962 3.261 0.439 182 1HG2 ILE 22 1HG2 ILE 22 -0.928 1.573 -3.095 183 2HG2 ILE 22 2HG2 ILE 22 -2.115 1.091 -1.880 184 3HG2 ILE 22 3HG2 ILE 22 -0.695 0.087 -2.175 185 1HD1 ILE 22 1HD1 ILE 22 -0.951 5.167 -0.696 186 2HD1 ILE 22 2HD1 ILE 22 -1.703 4.443 -2.116 187 3HD1 ILE 22 3HD1 ILE 22 0.034 4.281 -1.860 188 H LEU 23 H LEU 23 2.449 0.628 1.054 189 HA LEU 23 HA LEU 23 3.521 -0.993 -1.000 190 1HB LEU 23 1HB LEU 23 4.710 0.495 0.756 191 2HB LEU 23 2HB LEU 23 4.610 -0.927 1.767 192 HG LEU 23 HG LEU 23 5.712 -1.496 -0.875 193 1HD1 LEU 23 1HD1 LEU 23 6.617 0.731 -0.686 194 2HD1 LEU 23 2HD1 LEU 23 7.897 -0.449 -0.402 195 3HD1 LEU 23 3HD1 LEU 23 7.166 0.404 0.958 196 1HD2 LEU 23 1HD2 LEU 23 7.359 -2.697 0.450 197 2HD2 LEU 23 2HD2 LEU 23 5.729 -3.064 1.013 198 3HD2 LEU 23 3HD2 LEU 23 6.745 -1.947 1.924 199 H LEU 24 H LEU 24 1.943 -1.729 2.084 200 HA LEU 24 HA LEU 24 2.691 -4.451 2.193 201 1HB LEU 24 1HB LEU 24 0.395 -4.584 3.530 202 2HB LEU 24 2HB LEU 24 1.884 -3.982 4.221 203 HG LEU 24 HG LEU 24 1.090 -1.663 3.660 204 1HD1 LEU 24 1HD1 LEU 24 -1.453 -3.168 3.067 205 2HD1 LEU 24 2HD1 LEU 24 -0.563 -2.100 1.984 206 3HD1 LEU 24 3HD1 LEU 24 -1.389 -1.435 3.391 207 1HD2 LEU 24 1HD2 LEU 24 0.086 -1.477 5.697 208 2HD2 LEU 24 2HD2 LEU 24 0.840 -3.063 5.855 209 3HD2 LEU 24 3HD2 LEU 24 -0.878 -2.937 5.479 210 H HIS 25 H HIS 25 0.241 -2.852 0.309 211 HA HIS 25 HA HIS 25 -1.565 -4.909 -0.137 212 1HB HIS 25 1HB HIS 25 -0.637 -2.626 -1.856 213 2HB HIS 25 2HB HIS 25 -1.783 -3.806 -2.483 214 HD1 HIS 25 HD1 HIS 25 -3.994 -4.098 -0.741 215 HD2 HIS 25 HD2 HIS 25 -1.826 -0.560 -0.672 216 HE1 HIS 25 HE1 HIS 25 -5.494 -2.363 0.337 217 H GLU 26 H GLU 26 1.474 -4.231 -1.864 218 HA GLU 26 HA GLU 26 1.210 -6.748 -3.329 219 1HB GLU 26 1HB GLU 26 3.152 -4.447 -3.587 220 2HB GLU 26 2HB GLU 26 3.276 -5.928 -4.525 221 1HG GLU 26 1HG GLU 26 0.997 -3.963 -4.569 222 2HG GLU 26 2HG GLU 26 2.208 -4.203 -5.827 223 H ASN 27 H ASN 27 1.603 -6.999 -0.556 224 HA ASN 27 HA ASN 27 3.892 -8.705 -0.511 225 1HB ASN 27 1HB ASN 27 4.734 -6.265 -0.092 226 2HB ASN 27 2HB ASN 27 4.035 -6.484 1.508 227 1HD2 ASN 27 1HD2 ASN 27 5.232 -7.448 3.011 228 2HD2 ASN 27 2HD2 ASN 27 6.698 -8.314 2.719 229 H LYS 28 H LYS 28 1.314 -9.378 -0.150 230 HA LYS 28 HA LYS 28 1.298 -10.315 2.595 231 1HB LYS 28 1HB LYS 28 -0.039 -8.030 2.220 232 2HB LYS 28 2HB LYS 28 -1.290 -9.147 1.697 233 1HG LYS 28 1HG LYS 28 -0.204 -10.130 4.127 234 2HG LYS 28 2HG LYS 28 -0.553 -8.413 4.333 235 1HD LYS 28 1HD LYS 28 -2.584 -9.329 4.889 236 2HD LYS 28 2HD LYS 28 -2.814 -9.054 3.162 237 1HE LYS 28 1HE LYS 28 -2.780 -11.271 2.665 238 2HE LYS 28 2HE LYS 28 -1.646 -11.656 3.959 239 1HZ LYS 28 1HZ LYS 28 -3.849 -12.582 4.369 240 2HZ LYS 28 2HZ LYS 28 -4.527 -11.033 4.333 241 3HZ LYS 28 3HZ LYS 28 -3.436 -11.449 5.556 242 H LYS 29 H LYS 29 1.575 -12.367 1.716 243 HA LYS 29 HA LYS 29 -0.829 -13.726 0.990 244 1HB LYS 29 1HB LYS 29 0.163 -14.633 -1.192 245 2HB LYS 29 2HB LYS 29 -0.502 -13.007 -1.221 246 1HG LYS 29 1HG LYS 29 2.036 -12.399 -0.663 247 2HG LYS 29 2HG LYS 29 2.294 -13.923 -1.514 248 1HD LYS 29 1HD LYS 29 2.393 -12.262 -3.178 249 2HD LYS 29 2HD LYS 29 0.789 -12.980 -3.338 250 1HE LYS 29 1HE LYS 29 -0.041 -10.919 -3.198 251 2HE LYS 29 2HE LYS 29 0.451 -10.917 -1.506 252 1HZ LYS 29 1HZ LYS 29 2.137 -9.995 -3.772 253 2HZ LYS 29 2HZ LYS 29 2.552 -9.937 -2.133 254 3HZ LYS 29 3HZ LYS 29 1.283 -8.984 -2.718 Start of MODEL 28 1 H TYR 1 H TYR 1 -7.211 14.482 6.424 2 HA TYR 1 HA TYR 1 -7.530 12.249 5.433 3 1HB TYR 1 1HB TYR 1 -10.335 13.279 4.958 4 2HB TYR 1 2HB TYR 1 -9.689 11.693 4.554 5 HD1 TYR 1 HD1 TYR 1 -11.862 13.250 6.668 6 HD2 TYR 1 HD2 TYR 1 -8.579 10.549 6.829 7 HE1 TYR 1 HE1 TYR 1 -12.688 12.382 8.816 8 HE2 TYR 1 HE2 TYR 1 -9.396 9.674 8.976 9 HH TYR 1 HH TYR 1 -11.219 11.034 10.944 10 H LYS 2 H LYS 2 -6.023 13.184 4.086 11 HA LYS 2 HA LYS 2 -6.895 15.253 2.216 12 1HB LYS 2 1HB LYS 2 -4.745 15.508 3.443 13 2HB LYS 2 2HB LYS 2 -4.136 14.083 2.613 14 1HG LYS 2 1HG LYS 2 -3.416 15.393 0.985 15 2HG LYS 2 2HG LYS 2 -5.091 15.797 0.608 16 1HD LYS 2 1HD LYS 2 -3.774 17.231 2.857 17 2HD LYS 2 2HD LYS 2 -3.305 17.658 1.210 18 1HE LYS 2 1HE LYS 2 -5.931 17.708 0.868 19 2HE LYS 2 2HE LYS 2 -5.908 18.013 2.605 20 1HZ LYS 2 1HZ LYS 2 -4.449 19.902 2.214 21 2HZ LYS 2 2HZ LYS 2 -5.890 20.071 1.346 22 3HZ LYS 2 3HZ LYS 2 -4.473 19.606 0.548 23 H PHE 3 H PHE 3 -5.116 12.152 2.030 24 HA PHE 3 HA PHE 3 -6.043 11.872 -0.739 25 1HB PHE 3 1HB PHE 3 -3.602 11.038 0.734 26 2HB PHE 3 2HB PHE 3 -4.184 9.968 -0.525 27 HD1 PHE 3 HD1 PHE 3 -4.355 10.793 -2.866 28 HD2 PHE 3 HD2 PHE 3 -2.524 13.076 0.224 29 HE1 PHE 3 HE1 PHE 3 -3.253 12.195 -4.560 30 HE2 PHE 3 HE2 PHE 3 -1.420 14.484 -1.464 31 HZ PHE 3 HZ PHE 3 -1.784 14.044 -3.860 32 H ALA 4 H ALA 4 -6.076 9.410 -1.364 33 HA ALA 4 HA ALA 4 -7.173 7.668 0.669 34 1HB ALA 4 1HB ALA 4 -9.156 8.921 0.081 35 2HB ALA 4 2HB ALA 4 -9.289 7.279 -0.549 36 3HB ALA 4 3HB ALA 4 -8.882 8.610 -1.633 37 H CYS 5 H CYS 5 -6.838 5.541 0.181 38 HA CYS 5 HA CYS 5 -5.119 4.897 -1.977 39 1HB CYS 5 1HB CYS 5 -5.367 3.700 0.296 40 2HB CYS 5 2HB CYS 5 -6.708 2.849 -0.454 41 HG CYS 5 HG CYS 5 -3.816 2.633 -1.578 42 HA PRO 6 HA PRO 6 -8.147 4.169 -5.149 43 1HB PRO 6 1HB PRO 6 -6.546 2.964 -6.959 44 2HB PRO 6 2HB PRO 6 -6.447 4.695 -6.618 45 1HG PRO 6 1HG PRO 6 -4.719 2.466 -5.615 46 2HG PRO 6 2HG PRO 6 -4.247 4.075 -6.193 47 1HD PRO 6 1HD PRO 6 -4.444 3.432 -3.553 48 2HD PRO 6 2HD PRO 6 -4.714 5.071 -4.178 49 H GLU 7 H GLU 7 -6.295 1.655 -3.600 50 HA GLU 7 HA GLU 7 -7.979 -0.446 -4.747 51 1HB GLU 7 1HB GLU 7 -5.477 -0.695 -4.679 52 2HB GLU 7 2HB GLU 7 -5.588 -0.755 -2.925 53 1HG GLU 7 1HG GLU 7 -7.414 -2.641 -4.061 54 2HG GLU 7 2HG GLU 7 -5.810 -2.874 -4.753 55 H CYS 8 H CYS 8 -6.862 0.695 -1.543 56 HA CYS 8 HA CYS 8 -9.157 -0.691 -0.326 57 1HB CYS 8 1HB CYS 8 -7.952 -0.750 1.715 58 2HB CYS 8 2HB CYS 8 -6.817 -1.216 0.463 59 HG CYS 8 HG CYS 8 -5.370 0.597 1.208 60 HA PRO 9 HA PRO 9 -10.869 3.157 1.008 61 1HB PRO 9 1HB PRO 9 -12.150 2.477 3.249 62 2HB PRO 9 2HB PRO 9 -12.567 1.742 1.699 63 1HG PRO 9 1HG PRO 9 -11.018 0.611 3.973 64 2HG PRO 9 2HG PRO 9 -12.110 -0.202 2.842 65 1HD PRO 9 1HD PRO 9 -9.292 -0.126 2.707 66 2HD PRO 9 2HD PRO 9 -10.390 -0.706 1.448 67 H LYS 10 H LYS 10 -8.050 3.047 1.811 68 HA LYS 10 HA LYS 10 -8.014 4.079 4.528 69 1HB LYS 10 1HB LYS 10 -5.791 3.578 2.547 70 2HB LYS 10 2HB LYS 10 -5.539 4.269 4.126 71 1HG LYS 10 1HG LYS 10 -7.021 1.725 4.059 72 2HG LYS 10 2HG LYS 10 -5.315 1.661 3.613 73 1HD LYS 10 1HD LYS 10 -5.028 3.116 5.786 74 2HD LYS 10 2HD LYS 10 -6.577 2.387 6.216 75 1HE LYS 10 1HE LYS 10 -4.920 0.981 7.138 76 2HE LYS 10 2HE LYS 10 -5.518 0.148 5.705 77 1HZ LYS 10 1HZ LYS 10 -3.018 0.232 6.052 78 2HZ LYS 10 2HZ LYS 10 -3.106 1.860 5.607 79 3HZ LYS 10 3HZ LYS 10 -3.590 0.658 4.519 80 H ARG 11 H ARG 11 -6.885 6.105 5.004 81 HA ARG 11 HA ARG 11 -6.820 8.118 2.913 82 1HB ARG 11 1HB ARG 11 -8.241 9.668 4.387 83 2HB ARG 11 2HB ARG 11 -9.080 8.437 3.454 84 1HG ARG 11 1HG ARG 11 -8.759 7.063 5.707 85 2HG ARG 11 2HG ARG 11 -8.725 8.690 6.383 86 1HD ARG 11 1HD ARG 11 -10.919 8.985 6.063 87 2HD ARG 11 2HD ARG 11 -10.857 8.312 4.435 88 HE ARG 11 HE ARG 11 -10.657 6.315 6.483 89 1HH1 ARG 11 1HH1 ARG 11 -12.905 8.257 4.626 90 2HH1 ARG 11 2HH1 ARG 11 -14.213 7.139 4.812 91 1HH2 ARG 11 1HH2 ARG 11 -12.385 4.847 6.721 92 2HH2 ARG 11 2HH2 ARG 11 -13.918 5.204 6.001 93 H PHE 12 H PHE 12 -5.182 9.518 3.246 94 HA PHE 12 HA PHE 12 -4.190 9.906 5.983 95 1HB PHE 12 1HB PHE 12 -2.299 9.434 3.718 96 2HB PHE 12 2HB PHE 12 -1.940 9.444 5.428 97 HD1 PHE 12 HD1 PHE 12 -4.165 7.605 3.066 98 HD2 PHE 12 HD2 PHE 12 -1.509 7.397 6.382 99 HE1 PHE 12 HE1 PHE 12 -4.401 5.171 3.091 100 HE2 PHE 12 HE2 PHE 12 -1.746 4.946 6.415 101 HZ PHE 12 HZ PHE 12 -3.193 3.832 4.754 102 H MET 13 H MET 13 -3.358 11.892 6.427 103 HA MET 13 HA MET 13 -3.935 14.001 4.567 104 1HB MET 13 1HB MET 13 -3.105 15.506 6.335 105 2HB MET 13 2HB MET 13 -4.311 14.378 6.935 106 1HG MET 13 1HG MET 13 -2.054 13.007 7.474 107 2HG MET 13 2HG MET 13 -1.469 14.661 7.624 108 1HE MET 13 1HE MET 13 -3.567 11.850 8.847 109 2HE MET 13 2HE MET 13 -5.011 12.858 8.761 110 3HE MET 13 3HE MET 13 -4.344 12.403 10.329 111 H ARG 14 H ARG 14 -1.219 12.020 5.187 112 HA ARG 14 HA ARG 14 0.650 13.937 3.993 113 1HB ARG 14 1HB ARG 14 1.230 11.223 5.204 114 2HB ARG 14 2HB ARG 14 2.416 12.416 4.697 115 1HG ARG 14 1HG ARG 14 2.407 12.812 6.934 116 2HG ARG 14 2HG ARG 14 1.138 13.930 6.436 117 1HD ARG 14 1HD ARG 14 0.429 12.678 8.387 118 2HD ARG 14 2HD ARG 14 -0.551 12.236 6.988 119 HE ARG 14 HE ARG 14 1.734 10.543 7.649 120 1HH1 ARG 14 1HH1 ARG 14 -1.744 10.981 7.643 121 2HH1 ARG 14 2HH1 ARG 14 -2.075 9.303 7.898 122 1HH2 ARG 14 1HH2 ARG 14 1.285 8.336 7.990 123 2HH2 ARG 14 2HH2 ARG 14 -0.359 7.802 8.097 124 H SER 15 H SER 15 2.036 13.237 2.241 125 HA SER 15 HA SER 15 0.601 11.500 0.384 126 1HB SER 15 1HB SER 15 1.072 13.204 -0.949 127 2HB SER 15 2HB SER 15 2.322 13.836 0.119 128 HG SER 15 HG SER 15 3.800 12.830 -1.019 129 H ASP 16 H ASP 16 3.891 11.925 1.683 130 HA ASP 16 HA ASP 16 4.939 9.600 0.423 131 1HB ASP 16 1HB ASP 16 6.088 11.738 1.594 132 2HB ASP 16 2HB ASP 16 6.234 10.566 2.898 133 H HIS 17 H HIS 17 3.911 10.260 3.774 134 HA HIS 17 HA HIS 17 4.432 7.694 4.788 135 1HB HIS 17 1HB HIS 17 2.607 9.920 5.645 136 2HB HIS 17 2HB HIS 17 2.569 8.368 6.471 137 HD1 HIS 17 HD1 HIS 17 3.397 9.727 8.590 138 HD2 HIS 17 HD2 HIS 17 6.098 9.503 5.441 139 HE1 HIS 17 HE1 HIS 17 5.605 10.430 9.548 140 HE2 HIS 17 HE2 HIS 17 7.209 10.370 7.609 141 H LEU 18 H LEU 18 1.574 9.036 3.183 142 HA LEU 18 HA LEU 18 -0.192 6.907 3.631 143 1HB LEU 18 1HB LEU 18 -0.844 9.089 2.721 144 2HB LEU 18 2HB LEU 18 0.011 8.739 1.243 145 HG LEU 18 HG LEU 18 -2.211 6.962 2.170 146 1HD1 LEU 18 1HD1 LEU 18 -2.763 9.514 1.995 147 2HD1 LEU 18 2HD1 LEU 18 -3.850 8.306 1.310 148 3HD1 LEU 18 3HD1 LEU 18 -2.729 9.179 0.265 149 1HD2 LEU 18 1HD2 LEU 18 -2.276 7.185 -0.558 150 2HD2 LEU 18 2HD2 LEU 18 -1.512 5.881 0.357 151 3HD2 LEU 18 3HD2 LEU 18 -0.550 7.253 -0.198 152 H THR 19 H THR 19 2.074 7.526 0.956 153 HA THR 19 HA THR 19 1.454 5.236 -0.516 154 HB THR 19 HB THR 19 4.130 6.651 -0.388 155 HG1 THR 19 HG1 THR 19 1.821 7.187 -1.944 156 1HG2 THR 19 1HG2 THR 19 4.278 5.972 -2.784 157 2HG2 THR 19 2HG2 THR 19 2.898 4.910 -2.504 158 3HG2 THR 19 3HG2 THR 19 4.405 4.648 -1.627 159 H LEU 20 H LEU 20 3.540 5.739 2.260 160 HA LEU 20 HA LEU 20 5.044 3.375 2.169 161 1HB LEU 20 1HB LEU 20 5.318 5.374 3.725 162 2HB LEU 20 2HB LEU 20 4.035 4.681 4.693 163 HG LEU 20 HG LEU 20 5.446 2.618 4.949 164 1HD1 LEU 20 1HD1 LEU 20 7.882 2.914 4.523 165 2HD1 LEU 20 2HD1 LEU 20 7.497 4.378 3.618 166 3HD1 LEU 20 3HD1 LEU 20 6.901 2.814 3.061 167 1HD2 LEU 20 1HD2 LEU 20 5.295 4.367 6.677 168 2HD2 LEU 20 2HD2 LEU 20 6.681 5.180 5.951 169 3HD2 LEU 20 3HD2 LEU 20 6.871 3.575 6.656 170 H HIS 21 H HIS 21 1.775 4.037 3.253 171 HA HIS 21 HA HIS 21 1.234 1.621 4.583 172 1HB HIS 21 1HB HIS 21 -0.731 2.651 4.928 173 2HB HIS 21 2HB HIS 21 -0.142 3.999 3.999 174 HD1 HIS 21 HD1 HIS 21 -1.937 4.706 2.421 175 HD2 HIS 21 HD2 HIS 21 -1.717 0.584 2.761 176 HE1 HIS 21 HE1 HIS 21 -3.743 3.759 0.930 177 H ILE 22 H ILE 22 0.684 2.646 1.262 178 HA ILE 22 HA ILE 22 -0.610 0.345 0.370 179 HB ILE 22 HB ILE 22 1.091 2.086 -1.404 180 1HG1 ILE 22 1HG1 ILE 22 -1.783 2.700 -0.977 181 2HG1 ILE 22 2HG1 ILE 22 -0.694 3.162 0.312 182 1HG2 ILE 22 1HG2 ILE 22 -0.407 -0.120 -1.995 183 2HG2 ILE 22 2HG2 ILE 22 -0.018 1.171 -3.131 184 3HG2 ILE 22 3HG2 ILE 22 -1.558 1.188 -2.267 185 1HD1 ILE 22 1HD1 ILE 22 -1.125 4.343 -2.294 186 2HD1 ILE 22 2HD1 ILE 22 0.580 4.083 -1.925 187 3HD1 ILE 22 3HD1 ILE 22 -0.426 5.031 -0.831 188 H LEU 23 H LEU 23 2.591 0.521 1.380 189 HA LEU 23 HA LEU 23 3.875 -1.160 -0.483 190 1HB LEU 23 1HB LEU 23 4.411 -0.212 2.261 191 2HB LEU 23 2HB LEU 23 5.169 -1.732 1.834 192 HG LEU 23 HG LEU 23 6.195 -0.614 -0.144 193 1HD1 LEU 23 1HD1 LEU 23 4.950 1.830 1.098 194 2HD1 LEU 23 2HD1 LEU 23 4.692 1.194 -0.527 195 3HD1 LEU 23 3HD1 LEU 23 6.253 1.886 -0.088 196 1HD2 LEU 23 1HD2 LEU 23 6.831 0.685 2.502 197 2HD2 LEU 23 2HD2 LEU 23 7.906 0.547 1.112 198 3HD2 LEU 23 3HD2 LEU 23 7.403 -0.900 1.985 199 H LEU 24 H LEU 24 1.870 -1.842 2.371 200 HA LEU 24 HA LEU 24 2.435 -4.604 2.525 201 1HB LEU 24 1HB LEU 24 -0.079 -4.616 3.445 202 2HB LEU 24 2HB LEU 24 1.310 -4.163 4.403 203 HG LEU 24 HG LEU 24 0.786 -1.760 3.776 204 1HD1 LEU 24 1HD1 LEU 24 -1.731 -1.486 3.301 205 2HD1 LEU 24 2HD1 LEU 24 -1.648 -3.142 2.699 206 3HD1 LEU 24 3HD1 LEU 24 -0.668 -1.882 1.951 207 1HD2 LEU 24 1HD2 LEU 24 -1.456 -2.960 5.316 208 2HD2 LEU 24 2HD2 LEU 24 -0.487 -1.527 5.664 209 3HD2 LEU 24 3HD2 LEU 24 0.198 -3.135 5.902 210 H HIS 25 H HIS 25 0.242 -2.807 0.464 211 HA HIS 25 HA HIS 25 -1.378 -4.912 -0.427 212 1HB HIS 25 1HB HIS 25 -0.520 -2.337 -1.745 213 2HB HIS 25 2HB HIS 25 -1.629 -3.463 -2.519 214 HD1 HIS 25 HD1 HIS 25 -3.387 -4.168 -0.040 215 HD2 HIS 25 HD2 HIS 25 -2.219 -0.332 -1.121 216 HE1 HIS 25 HE1 HIS 25 -5.084 -2.592 0.976 217 H GLU 26 H GLU 26 1.692 -3.662 -1.719 218 HA GLU 26 HA GLU 26 1.855 -5.457 -3.898 219 1HB GLU 26 1HB GLU 26 3.164 -3.276 -3.502 220 2HB GLU 26 2HB GLU 26 4.242 -4.251 -2.514 221 1HG GLU 26 1HG GLU 26 5.252 -4.152 -4.619 222 2HG GLU 26 2HG GLU 26 4.512 -5.750 -4.538 223 H ASN 27 H ASN 27 3.174 -5.561 -0.602 224 HA ASN 27 HA ASN 27 4.309 -8.200 -1.054 225 1HB ASN 27 1HB ASN 27 5.349 -6.279 0.360 226 2HB ASN 27 2HB ASN 27 4.224 -6.802 1.609 227 1HD2 ASN 27 1HD2 ASN 27 7.186 -7.395 0.038 228 2HD2 ASN 27 2HD2 ASN 27 7.613 -8.838 0.887 229 H LYS 28 H LYS 28 2.105 -9.054 -1.526 230 HA LYS 28 HA LYS 28 1.062 -10.384 0.801 231 1HB LYS 28 1HB LYS 28 -0.085 -7.995 0.411 232 2HB LYS 28 2HB LYS 28 -1.063 -8.944 -0.699 233 1HG LYS 28 1HG LYS 28 -1.899 -10.299 1.017 234 2HG LYS 28 2HG LYS 28 -0.643 -9.788 2.147 235 1HD LYS 28 1HD LYS 28 -1.604 -7.498 2.098 236 2HD LYS 28 2HD LYS 28 -2.913 -8.109 1.084 237 1HE LYS 28 1HE LYS 28 -3.916 -8.288 3.121 238 2HE LYS 28 2HE LYS 28 -3.130 -9.863 3.055 239 1HZ LYS 28 1HZ LYS 28 -2.092 -7.447 4.439 240 2HZ LYS 28 2HZ LYS 28 -1.284 -8.930 4.338 241 3HZ LYS 28 3HZ LYS 28 -2.747 -8.820 5.180 242 H LYS 29 H LYS 29 -0.376 -12.120 0.286 243 HA LYS 29 HA LYS 29 0.194 -13.344 -2.230 244 1HB LYS 29 1HB LYS 29 -1.066 -14.113 0.288 245 2HB LYS 29 2HB LYS 29 -1.879 -14.807 -1.107 246 1HG LYS 29 1HG LYS 29 -0.289 -16.399 -0.491 247 2HG LYS 29 2HG LYS 29 0.429 -15.566 -1.872 248 1HD LYS 29 1HD LYS 29 2.198 -15.649 -0.380 249 2HD LYS 29 2HD LYS 29 1.518 -14.053 -0.057 250 1HE LYS 29 1HE LYS 29 1.626 -14.766 2.086 251 2HE LYS 29 2HE LYS 29 0.079 -15.505 1.678 252 1HZ LYS 29 1HZ LYS 29 2.727 -16.851 1.593 253 2HZ LYS 29 2HZ LYS 29 1.253 -17.566 1.173 254 3HZ LYS 29 3HZ LYS 29 1.532 -17.083 2.769 Start of MODEL 29 1 H TYR 1 H TYR 1 -6.558 14.144 6.207 2 HA TYR 1 HA TYR 1 -6.325 12.276 4.565 3 1HB TYR 1 1HB TYR 1 -8.620 11.542 5.078 4 2HB TYR 1 2HB TYR 1 -7.861 12.294 6.475 5 HD1 TYR 1 HD1 TYR 1 -10.653 12.355 4.215 6 HD2 TYR 1 HD2 TYR 1 -8.500 14.682 7.054 7 HE1 TYR 1 HE1 TYR 1 -12.579 13.866 4.430 8 HE2 TYR 1 HE2 TYR 1 -10.420 16.199 7.275 9 HH TYR 1 HH TYR 1 -12.665 16.629 5.287 10 H LYS 2 H LYS 2 -6.100 14.445 2.750 11 HA LYS 2 HA LYS 2 -8.352 14.437 0.966 12 1HB LYS 2 1HB LYS 2 -5.920 15.942 1.264 13 2HB LYS 2 2HB LYS 2 -6.084 15.409 -0.403 14 1HG LYS 2 1HG LYS 2 -8.398 16.687 0.987 15 2HG LYS 2 2HG LYS 2 -7.093 17.680 0.334 16 1HD LYS 2 1HD LYS 2 -7.503 16.963 -1.867 17 2HD LYS 2 2HD LYS 2 -8.479 15.595 -1.327 18 1HE LYS 2 1HE LYS 2 -10.239 16.902 -1.773 19 2HE LYS 2 2HE LYS 2 -9.831 17.728 -0.270 20 1HZ LYS 2 1HZ LYS 2 -8.932 18.513 -2.991 21 2HZ LYS 2 2HZ LYS 2 -8.490 19.294 -1.557 22 3HZ LYS 2 3HZ LYS 2 -10.105 19.304 -2.062 23 H PHE 3 H PHE 3 -5.583 12.425 1.380 24 HA PHE 3 HA PHE 3 -5.635 11.436 -1.353 25 1HB PHE 3 1HB PHE 3 -3.802 11.255 0.938 26 2HB PHE 3 2HB PHE 3 -3.960 9.766 0.024 27 HD1 PHE 3 HD1 PHE 3 -3.724 9.994 -2.564 28 HD2 PHE 3 HD2 PHE 3 -2.294 12.853 0.246 29 HE1 PHE 3 HE1 PHE 3 -2.151 10.856 -4.247 30 HE2 PHE 3 HE2 PHE 3 -0.719 13.722 -1.432 31 HZ PHE 3 HZ PHE 3 -0.647 12.723 -3.683 32 H ALA 4 H ALA 4 -5.726 9.077 -1.745 33 HA ALA 4 HA ALA 4 -7.064 7.401 0.178 34 1HB ALA 4 1HB ALA 4 -9.040 6.969 -1.274 35 2HB ALA 4 2HB ALA 4 -8.549 8.336 -2.274 36 3HB ALA 4 3HB ALA 4 -9.000 8.593 -0.588 37 H CYS 5 H CYS 5 -6.667 5.277 -0.209 38 HA CYS 5 HA CYS 5 -4.829 4.587 -2.285 39 1HB CYS 5 1HB CYS 5 -4.874 3.539 -0.001 40 2HB CYS 5 2HB CYS 5 -6.346 2.704 -0.469 41 HG CYS 5 HG CYS 5 -3.931 1.391 -0.808 42 HA PRO 6 HA PRO 6 -7.787 3.500 -5.418 43 1HB PRO 6 1HB PRO 6 -6.187 2.045 -7.042 44 2HB PRO 6 2HB PRO 6 -6.068 3.804 -6.916 45 1HG PRO 6 1HG PRO 6 -4.392 1.695 -5.610 46 2HG PRO 6 2HG PRO 6 -3.883 3.205 -6.384 47 1HD PRO 6 1HD PRO 6 -4.110 2.932 -3.692 48 2HD PRO 6 2HD PRO 6 -4.388 4.473 -4.531 49 H GLU 7 H GLU 7 -6.223 1.201 -3.385 50 HA GLU 7 HA GLU 7 -7.887 -0.994 -4.404 51 1HB GLU 7 1HB GLU 7 -5.207 -0.836 -3.305 52 2HB GLU 7 2HB GLU 7 -6.186 -2.000 -2.424 53 1HG GLU 7 1HG GLU 7 -6.783 -2.992 -4.676 54 2HG GLU 7 2HG GLU 7 -5.503 -1.982 -5.346 55 H CYS 8 H CYS 8 -6.937 0.646 -1.383 56 HA CYS 8 HA CYS 8 -9.383 -0.428 -0.130 57 1HB CYS 8 1HB CYS 8 -8.223 -0.376 2.010 58 2HB CYS 8 2HB CYS 8 -7.324 -1.345 0.853 59 HG CYS 8 HG CYS 8 -5.516 0.068 1.855 60 HA PRO 9 HA PRO 9 -10.449 3.756 0.839 61 1HB PRO 9 1HB PRO 9 -12.134 3.417 2.874 62 2HB PRO 9 2HB PRO 9 -12.463 2.704 1.291 63 1HG PRO 9 1HG PRO 9 -11.493 1.408 3.789 64 2HG PRO 9 2HG PRO 9 -12.544 0.759 2.520 65 1HD PRO 9 1HD PRO 9 -9.758 0.329 2.807 66 2HD PRO 9 2HD PRO 9 -10.767 -0.123 1.421 67 H LYS 10 H LYS 10 -7.834 3.347 1.934 68 HA LYS 10 HA LYS 10 -7.945 4.260 4.687 69 1HB LYS 10 1HB LYS 10 -5.482 3.943 2.967 70 2HB LYS 10 2HB LYS 10 -5.553 4.081 4.700 71 1HG LYS 10 1HG LYS 10 -7.040 1.834 3.501 72 2HG LYS 10 2HG LYS 10 -5.277 1.754 3.464 73 1HD LYS 10 1HD LYS 10 -5.163 2.003 5.857 74 2HD LYS 10 2HD LYS 10 -6.905 2.267 5.950 75 1HE LYS 10 1HE LYS 10 -6.567 0.024 6.589 76 2HE LYS 10 2HE LYS 10 -7.171 -0.038 4.935 77 1HZ LYS 10 1HZ LYS 10 -5.282 -1.542 5.343 78 2HZ LYS 10 2HZ LYS 10 -4.299 -0.206 5.676 79 3HZ LYS 10 3HZ LYS 10 -4.958 -0.407 4.131 80 H ARG 11 H ARG 11 -7.026 6.215 5.420 81 HA ARG 11 HA ARG 11 -6.627 8.323 3.416 82 1HB ARG 11 1HB ARG 11 -7.993 9.859 4.909 83 2HB ARG 11 2HB ARG 11 -8.897 8.677 3.976 84 1HG ARG 11 1HG ARG 11 -9.500 7.471 5.825 85 2HG ARG 11 2HG ARG 11 -8.087 7.975 6.752 86 1HD ARG 11 1HD ARG 11 -9.928 9.071 7.740 87 2HD ARG 11 2HD ARG 11 -9.099 10.294 6.781 88 HE ARG 11 HE ARG 11 -10.939 10.441 5.420 89 1HH1 ARG 11 1HH1 ARG 11 -11.246 7.583 7.423 90 2HH1 ARG 11 2HH1 ARG 11 -12.885 7.285 6.956 91 1HH2 ARG 11 1HH2 ARG 11 -13.099 10.043 4.814 92 2HH2 ARG 11 2HH2 ARG 11 -13.938 8.681 5.474 93 H PHE 12 H PHE 12 -4.950 9.646 3.868 94 HA PHE 12 HA PHE 12 -3.936 9.710 6.630 95 1HB PHE 12 1HB PHE 12 -2.168 9.418 4.227 96 2HB PHE 12 2HB PHE 12 -1.660 9.412 5.900 97 HD1 PHE 12 HD1 PHE 12 -4.186 7.572 3.851 98 HD2 PHE 12 HD2 PHE 12 -0.985 7.344 6.642 99 HE1 PHE 12 HE1 PHE 12 -4.382 5.141 3.861 100 HE2 PHE 12 HE2 PHE 12 -1.182 4.887 6.657 101 HZ PHE 12 HZ PHE 12 -2.889 3.785 5.249 102 H MET 13 H MET 13 -2.754 11.552 7.226 103 HA MET 13 HA MET 13 -3.558 13.960 5.889 104 1HB MET 13 1HB MET 13 -2.420 15.125 7.689 105 2HB MET 13 2HB MET 13 -3.393 13.819 8.348 106 1HG MET 13 1HG MET 13 -1.340 12.432 8.490 107 2HG MET 13 2HG MET 13 -0.408 13.831 7.963 108 1HE MET 13 1HE MET 13 -0.785 12.729 12.109 109 2HE MET 13 2HE MET 13 -0.198 11.967 10.630 110 3HE MET 13 3HE MET 13 -1.924 11.966 10.997 111 H ARG 14 H ARG 14 -0.677 11.984 5.969 112 HA ARG 14 HA ARG 14 0.849 14.010 4.497 113 1HB ARG 14 1HB ARG 14 1.662 11.424 5.826 114 2HB ARG 14 2HB ARG 14 2.756 12.382 4.842 115 1HG ARG 14 1HG ARG 14 2.710 14.184 6.370 116 2HG ARG 14 2HG ARG 14 1.337 13.501 7.242 117 1HD ARG 14 1HD ARG 14 3.376 11.547 7.250 118 2HD ARG 14 2HD ARG 14 4.136 13.087 7.663 119 HE ARG 14 HE ARG 14 1.698 12.460 9.104 120 1HH1 ARG 14 1HH1 ARG 14 5.201 12.332 9.101 121 2HH1 ARG 14 2HH1 ARG 14 5.316 12.174 10.821 122 1HH2 ARG 14 1HH2 ARG 14 1.863 12.253 11.367 123 2HH2 ARG 14 2HH2 ARG 14 3.424 12.130 12.105 124 H SER 15 H SER 15 2.096 13.329 2.609 125 HA SER 15 HA SER 15 0.495 11.609 0.887 126 1HB SER 15 1HB SER 15 0.877 13.410 -0.374 127 2HB SER 15 2HB SER 15 2.358 13.851 0.473 128 HG SER 15 HG SER 15 3.484 12.765 -0.953 129 H ASP 16 H ASP 16 3.868 11.944 1.968 130 HA ASP 16 HA ASP 16 4.831 9.670 0.575 131 1HB ASP 16 1HB ASP 16 6.015 11.725 1.943 132 2HB ASP 16 2HB ASP 16 6.257 10.375 3.044 133 H HIS 17 H HIS 17 3.860 10.157 3.967 134 HA HIS 17 HA HIS 17 4.386 7.553 4.859 135 1HB HIS 17 1HB HIS 17 2.688 9.803 5.814 136 2HB HIS 17 2HB HIS 17 2.366 8.205 6.473 137 HD1 HIS 17 HD1 HIS 17 3.164 9.330 8.762 138 HD2 HIS 17 HD2 HIS 17 6.096 8.827 5.862 139 HE1 HIS 17 HE1 HIS 17 5.350 9.575 9.968 140 HE2 HIS 17 HE2 HIS 17 7.112 9.346 8.184 141 H LEU 18 H LEU 18 1.436 8.969 3.462 142 HA LEU 18 HA LEU 18 -0.233 6.741 3.754 143 1HB LEU 18 1HB LEU 18 -0.924 9.041 3.090 144 2HB LEU 18 2HB LEU 18 -0.270 8.744 1.500 145 HG LEU 18 HG LEU 18 -2.340 6.904 2.615 146 1HD1 LEU 18 1HD1 LEU 18 -3.991 8.407 1.383 147 2HD1 LEU 18 2HD1 LEU 18 -2.746 9.654 1.517 148 3HD1 LEU 18 3HD1 LEU 18 -3.428 8.931 2.968 149 1HD2 LEU 18 1HD2 LEU 18 -2.867 7.211 -0.002 150 2HD2 LEU 18 2HD2 LEU 18 -1.758 5.998 0.640 151 3HD2 LEU 18 3HD2 LEU 18 -1.129 7.519 0.002 152 H THR 19 H THR 19 1.879 7.712 1.062 153 HA THR 19 HA THR 19 1.243 5.573 -0.617 154 HB THR 19 HB THR 19 3.841 7.121 -0.448 155 HG1 THR 19 HG1 THR 19 2.540 8.651 -1.071 156 1HG2 THR 19 1HG2 THR 19 2.718 5.416 -2.653 157 2HG2 THR 19 2HG2 THR 19 4.254 5.220 -1.806 158 3HG2 THR 19 3HG2 THR 19 4.008 6.598 -2.880 159 H LEU 20 H LEU 20 3.455 5.845 2.098 160 HA LEU 20 HA LEU 20 4.961 3.498 1.646 161 1HB LEU 20 1HB LEU 20 5.386 5.398 3.324 162 2HB LEU 20 2HB LEU 20 4.246 4.572 4.368 163 HG LEU 20 HG LEU 20 5.841 2.511 3.940 164 1HD1 LEU 20 1HD1 LEU 20 8.171 3.179 3.735 165 2HD1 LEU 20 2HD1 LEU 20 7.685 4.861 3.535 166 3HD1 LEU 20 3HD1 LEU 20 7.252 3.668 2.312 167 1HD2 LEU 20 1HD2 LEU 20 7.117 3.167 5.951 168 2HD2 LEU 20 2HD2 LEU 20 5.383 3.439 6.123 169 3HD2 LEU 20 3HD2 LEU 20 6.462 4.797 5.807 170 H HIS 21 H HIS 21 1.827 4.104 3.115 171 HA HIS 21 HA HIS 21 1.394 1.613 4.326 172 1HB HIS 21 1HB HIS 21 -0.518 2.611 4.930 173 2HB HIS 21 2HB HIS 21 -0.013 4.019 4.037 174 HD1 HIS 21 HD1 HIS 21 -2.024 4.824 2.788 175 HD2 HIS 21 HD2 HIS 21 -1.658 0.708 2.630 176 HE1 HIS 21 HE1 HIS 21 -3.941 3.976 1.385 177 H ILE 22 H ILE 22 0.471 2.860 1.160 178 HA ILE 22 HA ILE 22 -0.965 0.696 0.247 179 HB ILE 22 HB ILE 22 0.706 2.408 -1.584 180 1HG1 ILE 22 1HG1 ILE 22 -2.096 3.136 -0.902 181 2HG1 ILE 22 2HG1 ILE 22 -0.883 3.506 0.301 182 1HG2 ILE 22 1HG2 ILE 22 -0.869 1.892 -3.228 183 2HG2 ILE 22 2HG2 ILE 22 -2.066 1.370 -2.043 184 3HG2 ILE 22 3HG2 ILE 22 -0.658 0.361 -2.378 185 1HD1 ILE 22 1HD1 ILE 22 0.264 4.467 -1.964 186 2HD1 ILE 22 2HD1 ILE 22 -0.677 5.411 -0.809 187 3HD1 ILE 22 3HD1 ILE 22 -1.449 4.765 -2.256 188 H LEU 23 H LEU 23 2.424 0.796 0.770 189 HA LEU 23 HA LEU 23 3.232 -1.139 -1.143 190 1HB LEU 23 1HB LEU 23 4.380 0.032 1.331 191 2HB LEU 23 2HB LEU 23 5.010 -1.526 0.839 192 HG LEU 23 HG LEU 23 5.491 -0.497 -1.423 193 1HD1 LEU 23 1HD1 LEU 23 5.666 1.947 -1.500 194 2HD1 LEU 23 2HD1 LEU 23 4.914 2.045 0.092 195 3HD1 LEU 23 3HD1 LEU 23 4.000 1.413 -1.277 196 1HD2 LEU 23 1HD2 LEU 23 7.564 0.464 -0.708 197 2HD2 LEU 23 2HD2 LEU 23 7.183 -0.878 0.371 198 3HD2 LEU 23 3HD2 LEU 23 6.919 0.783 0.903 199 H LEU 24 H LEU 24 1.487 -1.325 1.838 200 HA LEU 24 HA LEU 24 2.027 -3.913 2.724 201 1HB LEU 24 1HB LEU 24 -0.646 -2.501 2.793 202 2HB LEU 24 2HB LEU 24 -0.160 -3.842 3.808 203 HG LEU 24 HG LEU 24 1.501 -1.382 3.948 204 1HD1 LEU 24 1HD1 LEU 24 -0.993 -0.720 3.905 205 2HD1 LEU 24 2HD1 LEU 24 0.008 -0.134 5.235 206 3HD1 LEU 24 3HD1 LEU 24 -1.075 -1.504 5.484 207 1HD2 LEU 24 1HD2 LEU 24 2.140 -3.236 5.303 208 2HD2 LEU 24 2HD2 LEU 24 0.498 -3.431 5.915 209 3HD2 LEU 24 3HD2 LEU 24 1.445 -2.014 6.367 210 H HIS 25 H HIS 25 -0.060 -2.771 0.132 211 HA HIS 25 HA HIS 25 -1.413 -5.233 -0.313 212 1HB HIS 25 1HB HIS 25 -1.002 -2.967 -2.274 213 2HB HIS 25 2HB HIS 25 -2.246 -4.209 -2.345 214 HD1 HIS 25 HD1 HIS 25 -3.978 -4.115 -0.177 215 HD2 HIS 25 HD2 HIS 25 -1.783 -0.699 -1.061 216 HE1 HIS 25 HE1 HIS 25 -5.135 -2.198 0.999 217 H GLU 26 H GLU 26 1.458 -3.724 -1.745 218 HA GLU 26 HA GLU 26 1.847 -5.730 -3.731 219 1HB GLU 26 1HB GLU 26 3.487 -3.469 -2.651 220 2HB GLU 26 2HB GLU 26 4.259 -4.682 -3.664 221 1HG GLU 26 1HG GLU 26 1.757 -3.320 -4.568 222 2HG GLU 26 2HG GLU 26 3.327 -2.535 -4.744 223 H ASN 27 H ASN 27 3.801 -4.978 -0.828 224 HA ASN 27 HA ASN 27 5.075 -7.557 -0.901 225 1HB ASN 27 1HB ASN 27 6.133 -5.375 -0.101 226 2HB ASN 27 2HB ASN 27 5.182 -5.569 1.369 227 1HD2 ASN 27 1HD2 ASN 27 7.681 -7.032 -0.625 228 2HD2 ASN 27 2HD2 ASN 27 8.401 -7.964 0.640 229 H LYS 28 H LYS 28 5.002 -9.139 0.795 230 HA LYS 28 HA LYS 28 2.325 -9.550 1.795 231 1HB LYS 28 1HB LYS 28 4.834 -11.177 1.696 232 2HB LYS 28 2HB LYS 28 3.567 -11.638 2.825 233 1HG LYS 28 1HG LYS 28 2.036 -12.073 1.110 234 2HG LYS 28 2HG LYS 28 2.999 -11.203 -0.086 235 1HD LYS 28 1HD LYS 28 4.209 -13.558 1.281 236 2HD LYS 28 2HD LYS 28 2.999 -13.840 0.028 237 1HE LYS 28 1HE LYS 28 5.323 -12.006 -0.451 238 2HE LYS 28 2HE LYS 28 5.489 -13.750 -0.647 239 1HZ LYS 28 1HZ LYS 28 3.633 -13.674 -2.234 240 2HZ LYS 28 2HZ LYS 28 4.951 -12.746 -2.744 241 3HZ LYS 28 3HZ LYS 28 3.586 -11.987 -2.094 242 H LYS 29 H LYS 29 2.394 -7.608 3.167 243 HA LYS 29 HA LYS 29 2.986 -8.318 5.884 244 1HB LYS 29 1HB LYS 29 5.175 -7.420 4.910 245 2HB LYS 29 2HB LYS 29 4.376 -5.856 4.833 246 1HG LYS 29 1HG LYS 29 5.009 -5.495 6.920 247 2HG LYS 29 2HG LYS 29 3.935 -6.798 7.431 248 1HD LYS 29 1HD LYS 29 5.687 -8.400 7.319 249 2HD LYS 29 2HD LYS 29 6.755 -7.270 6.484 250 1HE LYS 29 1HE LYS 29 7.108 -5.996 8.412 251 2HE LYS 29 2HE LYS 29 5.697 -6.670 9.225 252 1HZ LYS 29 1HZ LYS 29 8.180 -8.170 8.587 253 2HZ LYS 29 2HZ LYS 29 6.839 -8.775 9.422 254 3HZ LYS 29 3HZ LYS 29 7.778 -7.548 10.109 Start of MODEL 30 1 H TYR 1 H TYR 1 -9.529 14.541 6.008 2 HA TYR 1 HA TYR 1 -7.907 13.408 4.879 3 1HB TYR 1 1HB TYR 1 -10.340 13.039 3.128 4 2HB TYR 1 2HB TYR 1 -9.163 11.826 3.618 5 HD1 TYR 1 HD1 TYR 1 -8.980 11.832 6.404 6 HD2 TYR 1 HD2 TYR 1 -12.416 12.708 4.051 7 HE1 TYR 1 HE1 TYR 1 -10.426 11.198 8.289 8 HE2 TYR 1 HE2 TYR 1 -13.870 12.077 5.930 9 HH TYR 1 HH TYR 1 -13.263 12.025 8.793 10 H LYS 2 H LYS 2 -6.288 13.639 3.471 11 HA LYS 2 HA LYS 2 -6.627 15.482 1.232 12 1HB LYS 2 1HB LYS 2 -4.680 15.551 2.929 13 2HB LYS 2 2HB LYS 2 -4.034 14.186 2.027 14 1HG LYS 2 1HG LYS 2 -3.994 15.528 -0.004 15 2HG LYS 2 2HG LYS 2 -4.677 16.895 0.877 16 1HD LYS 2 1HD LYS 2 -2.461 17.441 0.984 17 2HD LYS 2 2HD LYS 2 -2.593 16.465 2.447 18 1HE LYS 2 1HE LYS 2 -0.718 15.560 1.465 19 2HE LYS 2 2HE LYS 2 -1.982 14.495 0.850 20 1HZ LYS 2 1HZ LYS 2 -0.961 16.852 -0.637 21 2HZ LYS 2 2HZ LYS 2 -1.974 15.629 -1.221 22 3HZ LYS 2 3HZ LYS 2 -0.362 15.283 -0.845 23 H PHE 3 H PHE 3 -5.135 12.262 1.741 24 HA PHE 3 HA PHE 3 -5.752 11.651 -1.071 25 1HB PHE 3 1HB PHE 3 -3.372 11.177 0.614 26 2HB PHE 3 2HB PHE 3 -3.851 9.847 -0.419 27 HD1 PHE 3 HD1 PHE 3 -4.517 10.719 -2.915 28 HD2 PHE 3 HD2 PHE 3 -1.776 12.567 -0.233 29 HE1 PHE 3 HE1 PHE 3 -3.388 11.797 -4.817 30 HE2 PHE 3 HE2 PHE 3 -0.643 13.649 -2.130 31 HZ PHE 3 HZ PHE 3 -1.450 13.265 -4.426 32 H ALA 4 H ALA 4 -5.756 9.174 -1.422 33 HA ALA 4 HA ALA 4 -6.778 7.555 0.723 34 1HB ALA 4 1HB ALA 4 -8.965 7.103 -0.306 35 2HB ALA 4 2HB ALA 4 -8.642 8.345 -1.516 36 3HB ALA 4 3HB ALA 4 -8.802 8.790 0.183 37 H CYS 5 H CYS 5 -6.684 5.351 0.242 38 HA CYS 5 HA CYS 5 -4.989 4.622 -1.925 39 1HB CYS 5 1HB CYS 5 -5.275 3.469 0.388 40 2HB CYS 5 2HB CYS 5 -6.608 2.622 -0.380 41 HG CYS 5 HG CYS 5 -5.006 1.312 -1.786 42 HA PRO 6 HA PRO 6 -8.075 3.934 -5.037 43 1HB PRO 6 1HB PRO 6 -6.555 2.594 -6.821 44 2HB PRO 6 2HB PRO 6 -6.363 4.326 -6.530 45 1HG PRO 6 1HG PRO 6 -4.747 2.038 -5.476 46 2HG PRO 6 2HG PRO 6 -4.194 3.603 -6.100 47 1HD PRO 6 1HD PRO 6 -4.406 3.042 -3.444 48 2HD PRO 6 2HD PRO 6 -4.590 4.676 -4.113 49 H GLU 7 H GLU 7 -6.376 1.372 -3.400 50 HA GLU 7 HA GLU 7 -8.198 -0.656 -4.478 51 1HB GLU 7 1HB GLU 7 -5.740 -1.089 -4.522 52 2HB GLU 7 2HB GLU 7 -5.739 -1.043 -2.764 53 1HG GLU 7 1HG GLU 7 -7.745 -2.870 -3.643 54 2HG GLU 7 2HG GLU 7 -6.227 -3.239 -4.459 55 H CYS 8 H CYS 8 -6.908 0.467 -1.330 56 HA CYS 8 HA CYS 8 -9.208 -0.803 -0.012 57 1HB CYS 8 1HB CYS 8 -7.941 -0.730 2.029 58 2HB CYS 8 2HB CYS 8 -6.917 -1.395 0.768 59 HG CYS 8 HG CYS 8 -5.299 0.355 1.267 60 HA PRO 9 HA PRO 9 -10.830 3.120 1.201 61 1HB PRO 9 1HB PRO 9 -12.120 2.533 3.466 62 2HB PRO 9 2HB PRO 9 -12.564 1.780 1.931 63 1HG PRO 9 1HG PRO 9 -11.056 0.647 4.229 64 2HG PRO 9 2HG PRO 9 -12.163 -0.156 3.104 65 1HD PRO 9 1HD PRO 9 -9.341 -0.156 2.990 66 2HD PRO 9 2HD PRO 9 -10.449 -0.738 1.738 67 H LYS 10 H LYS 10 -8.008 2.975 2.020 68 HA LYS 10 HA LYS 10 -7.977 4.106 4.697 69 1HB LYS 10 1HB LYS 10 -5.672 3.670 2.788 70 2HB LYS 10 2HB LYS 10 -5.546 4.137 4.460 71 1HG LYS 10 1HG LYS 10 -6.914 1.593 3.711 72 2HG LYS 10 2HG LYS 10 -5.155 1.680 3.827 73 1HD LYS 10 1HD LYS 10 -5.560 1.118 5.982 74 2HD LYS 10 2HD LYS 10 -5.820 2.854 6.151 75 1HE LYS 10 1HE LYS 10 -7.654 1.773 7.206 76 2HE LYS 10 2HE LYS 10 -8.253 2.432 5.685 77 1HZ LYS 10 1HZ LYS 10 -8.198 0.283 4.700 78 2HZ LYS 10 2HZ LYS 10 -8.999 0.129 6.180 79 3HZ LYS 10 3HZ LYS 10 -7.397 -0.389 6.030 80 H ARG 11 H ARG 11 -6.987 6.166 5.141 81 HA ARG 11 HA ARG 11 -6.831 8.085 2.953 82 1HB ARG 11 1HB ARG 11 -8.300 9.569 4.709 83 2HB ARG 11 2HB ARG 11 -8.958 8.760 3.295 84 1HG ARG 11 1HG ARG 11 -9.664 6.887 4.629 85 2HG ARG 11 2HG ARG 11 -8.871 7.557 6.055 86 1HD ARG 11 1HD ARG 11 -11.182 8.039 6.266 87 2HD ARG 11 2HD ARG 11 -10.386 9.549 5.831 88 HE ARG 11 HE ARG 11 -11.146 8.657 3.436 89 1HH1 ARG 11 1HH1 ARG 11 -12.932 8.865 6.443 90 2HH1 ARG 11 2HH1 ARG 11 -14.459 9.086 5.660 91 1HH2 ARG 11 1HH2 ARG 11 -13.159 8.951 2.414 92 2HH2 ARG 11 2HH2 ARG 11 -14.589 9.135 3.374 93 H PHE 12 H PHE 12 -5.188 9.468 3.270 94 HA PHE 12 HA PHE 12 -4.290 9.985 6.022 95 1HB PHE 12 1HB PHE 12 -2.355 9.459 3.802 96 2HB PHE 12 2HB PHE 12 -2.011 9.563 5.512 97 HD1 PHE 12 HD1 PHE 12 -4.276 7.566 3.310 98 HD2 PHE 12 HD2 PHE 12 -1.445 7.559 6.486 99 HE1 PHE 12 HE1 PHE 12 -4.454 5.134 3.451 100 HE2 PHE 12 HE2 PHE 12 -1.624 5.107 6.634 101 HZ PHE 12 HZ PHE 12 -3.129 3.892 5.099 102 H MET 13 H MET 13 -3.214 11.941 6.368 103 HA MET 13 HA MET 13 -3.915 14.033 4.499 104 1HB MET 13 1HB MET 13 -2.726 13.984 7.258 105 2HB MET 13 2HB MET 13 -2.705 15.460 6.304 106 1HG MET 13 1HG MET 13 -4.642 15.778 7.434 107 2HG MET 13 2HG MET 13 -5.271 14.909 6.037 108 1HE MET 13 1HE MET 13 -6.606 11.717 7.250 109 2HE MET 13 2HE MET 13 -6.011 12.691 5.905 110 3HE MET 13 3HE MET 13 -7.381 13.253 6.862 111 H ARG 14 H ARG 14 -1.141 12.117 5.226 112 HA ARG 14 HA ARG 14 0.662 13.970 3.845 113 1HB ARG 14 1HB ARG 14 1.211 11.455 5.430 114 2HB ARG 14 2HB ARG 14 2.449 12.396 4.610 115 1HG ARG 14 1HG ARG 14 2.269 14.167 6.088 116 2HG ARG 14 2HG ARG 14 0.652 13.696 6.614 117 1HD ARG 14 1HD ARG 14 1.963 13.080 8.418 118 2HD ARG 14 2HD ARG 14 1.827 11.570 7.513 119 HE ARG 14 HE ARG 14 4.092 12.528 6.520 120 1HH1 ARG 14 1HH1 ARG 14 3.017 12.364 9.850 121 2HH1 ARG 14 2HH1 ARG 14 4.622 12.239 10.487 122 1HH2 ARG 14 1HH2 ARG 14 6.200 12.362 7.368 123 2HH2 ARG 14 2HH2 ARG 14 6.427 12.237 9.080 124 H SER 15 H SER 15 2.067 13.153 2.159 125 HA SER 15 HA SER 15 0.671 11.238 0.454 126 1HB SER 15 1HB SER 15 1.289 12.525 -1.223 127 2HB SER 15 2HB SER 15 1.968 13.658 -0.059 128 HG SER 15 HG SER 15 3.942 12.932 -0.479 129 H ASP 16 H ASP 16 3.882 11.768 1.878 130 HA ASP 16 HA ASP 16 5.052 9.434 0.753 131 1HB ASP 16 1HB ASP 16 6.005 11.635 2.129 132 2HB ASP 16 2HB ASP 16 6.246 10.315 3.268 133 H HIS 17 H HIS 17 3.776 10.140 4.016 134 HA HIS 17 HA HIS 17 4.261 7.584 5.090 135 1HB HIS 17 1HB HIS 17 2.606 9.919 5.843 136 2HB HIS 17 2HB HIS 17 2.088 8.369 6.494 137 HD1 HIS 17 HD1 HIS 17 2.729 9.183 8.871 138 HD2 HIS 17 HD2 HIS 17 5.911 8.974 6.209 139 HE1 HIS 17 HE1 HIS 17 4.793 9.371 10.277 140 HE2 HIS 17 HE2 HIS 17 6.713 9.144 8.663 141 H LEU 18 H LEU 18 1.435 8.931 3.418 142 HA LEU 18 HA LEU 18 -0.291 6.752 3.720 143 1HB LEU 18 1HB LEU 18 -0.885 9.008 2.856 144 2HB LEU 18 2HB LEU 18 -0.091 8.608 1.355 145 HG LEU 18 HG LEU 18 -2.313 6.893 2.382 146 1HD1 LEU 18 1HD1 LEU 18 -2.496 9.579 1.108 147 2HD1 LEU 18 2HD1 LEU 18 -3.440 8.903 2.432 148 3HD1 LEU 18 3HD1 LEU 18 -3.726 8.358 0.780 149 1HD2 LEU 18 1HD2 LEU 18 -2.505 7.084 -0.329 150 2HD2 LEU 18 2HD2 LEU 18 -1.674 5.798 0.551 151 3HD2 LEU 18 3HD2 LEU 18 -0.763 7.177 -0.071 152 H THR 19 H THR 19 2.037 7.517 1.135 153 HA THR 19 HA THR 19 1.495 5.270 -0.436 154 HB THR 19 HB THR 19 4.047 6.879 -0.180 155 HG1 THR 19 HG1 THR 19 2.711 8.251 -1.082 156 1HG2 THR 19 1HG2 THR 19 4.716 4.892 -1.254 157 2HG2 THR 19 2HG2 THR 19 4.465 6.083 -2.530 158 3HG2 THR 19 3HG2 THR 19 3.249 4.839 -2.232 159 H LEU 20 H LEU 20 3.520 5.714 2.401 160 HA LEU 20 HA LEU 20 5.048 3.357 2.230 161 1HB LEU 20 1HB LEU 20 5.317 5.324 3.844 162 2HB LEU 20 2HB LEU 20 4.055 4.574 4.803 163 HG LEU 20 HG LEU 20 5.841 2.504 4.426 164 1HD1 LEU 20 1HD1 LEU 20 7.414 5.026 4.931 165 2HD1 LEU 20 2HD1 LEU 20 7.469 4.064 3.454 166 3HD1 LEU 20 3HD1 LEU 20 8.034 3.376 4.977 167 1HD2 LEU 20 1HD2 LEU 20 4.679 3.026 6.491 168 2HD2 LEU 20 2HD2 LEU 20 5.664 4.472 6.706 169 3HD2 LEU 20 3HD2 LEU 20 6.410 2.876 6.787 170 H HIS 21 H HIS 21 1.799 4.008 3.416 171 HA HIS 21 HA HIS 21 1.269 1.543 4.645 172 1HB HIS 21 1HB HIS 21 -0.681 2.566 5.088 173 2HB HIS 21 2HB HIS 21 -0.096 3.954 4.217 174 HD1 HIS 21 HD1 HIS 21 -1.940 4.762 2.744 175 HD2 HIS 21 HD2 HIS 21 -1.708 0.634 2.805 176 HE1 HIS 21 HE1 HIS 21 -3.770 3.907 1.228 177 H ILE 22 H ILE 22 0.559 2.733 1.401 178 HA ILE 22 HA ILE 22 -0.782 0.528 0.421 179 HB ILE 22 HB ILE 22 0.983 2.259 -1.301 180 1HG1 ILE 22 1HG1 ILE 22 -1.878 2.923 -0.826 181 2HG1 ILE 22 2HG1 ILE 22 -0.747 3.352 0.437 182 1HG2 ILE 22 1HG2 ILE 22 -0.309 1.595 -3.072 183 2HG2 ILE 22 2HG2 ILE 22 -1.724 1.296 -2.060 184 3HG2 ILE 22 3HG2 ILE 22 -0.394 0.136 -2.084 185 1HD1 ILE 22 1HD1 ILE 22 0.459 4.243 -1.876 186 2HD1 ILE 22 2HD1 ILE 22 -0.408 5.215 -0.688 187 3HD1 ILE 22 3HD1 ILE 22 -1.253 4.598 -2.107 188 H LEU 23 H LEU 23 2.545 0.693 1.205 189 HA LEU 23 HA LEU 23 3.687 -1.079 -0.622 190 1HB LEU 23 1HB LEU 23 4.247 -0.473 2.265 191 2HB LEU 23 2HB LEU 23 5.144 -1.725 1.429 192 HG LEU 23 HG LEU 23 5.002 1.112 0.422 193 1HD1 LEU 23 1HD1 LEU 23 7.136 1.521 1.463 194 2HD1 LEU 23 2HD1 LEU 23 7.161 -0.111 2.134 195 3HD1 LEU 23 3HD1 LEU 23 5.964 1.056 2.696 196 1HD2 LEU 23 1HD2 LEU 23 6.836 -1.210 -0.161 197 2HD2 LEU 23 2HD2 LEU 23 7.069 0.432 -0.762 198 3HD2 LEU 23 3HD2 LEU 23 5.649 -0.494 -1.252 199 H LEU 24 H LEU 24 1.515 -1.627 2.069 200 HA LEU 24 HA LEU 24 1.851 -4.336 2.578 201 1HB LEU 24 1HB LEU 24 -0.841 -2.982 2.414 202 2HB LEU 24 2HB LEU 24 -0.409 -4.371 3.388 203 HG LEU 24 HG LEU 24 1.101 -1.897 3.964 204 1HD1 LEU 24 1HD1 LEU 24 -1.744 -2.124 4.913 205 2HD1 LEU 24 2HD1 LEU 24 -1.294 -1.168 3.500 206 3HD1 LEU 24 3HD1 LEU 24 -0.635 -0.765 5.086 207 1HD2 LEU 24 1HD2 LEU 24 0.789 -2.658 6.251 208 2HD2 LEU 24 2HD2 LEU 24 1.391 -3.971 5.239 209 3HD2 LEU 24 3HD2 LEU 24 -0.311 -3.920 5.698 210 H HIS 25 H HIS 25 -0.262 -2.791 0.170 211 HA HIS 25 HA HIS 25 -1.231 -5.184 -0.981 212 1HB HIS 25 1HB HIS 25 -1.000 -2.554 -2.441 213 2HB HIS 25 2HB HIS 25 -2.195 -3.825 -2.674 214 HD1 HIS 25 HD1 HIS 25 -3.604 -4.211 -0.171 215 HD2 HIS 25 HD2 HIS 25 -2.081 -0.480 -1.171 216 HE1 HIS 25 HE1 HIS 25 -4.876 -2.526 1.221 217 H GLU 26 H GLU 26 1.533 -3.116 -1.717 218 HA GLU 26 HA GLU 26 2.315 -4.126 -4.172 219 1HB GLU 26 1HB GLU 26 3.317 -2.192 -2.831 220 2HB GLU 26 2HB GLU 26 4.272 -3.407 -1.995 221 1HG GLU 26 1HG GLU 26 4.788 -4.067 -4.557 222 2HG GLU 26 2HG GLU 26 4.533 -2.330 -4.718 223 H ASN 27 H ASN 27 2.894 -5.445 -0.938 224 HA ASN 27 HA ASN 27 4.599 -7.559 -1.861 225 1HB ASN 27 1HB ASN 27 4.510 -6.503 0.499 226 2HB ASN 27 2HB ASN 27 3.130 -7.562 0.768 227 1HD2 ASN 27 1HD2 ASN 27 6.532 -7.319 0.590 228 2HD2 ASN 27 2HD2 ASN 27 6.895 -8.976 0.919 229 H LYS 28 H LYS 28 3.292 -8.458 -3.542 230 HA LYS 28 HA LYS 28 1.708 -10.670 -2.685 231 1HB LYS 28 1HB LYS 28 0.283 -8.317 -2.928 232 2HB LYS 28 2HB LYS 28 0.034 -9.084 -4.489 233 1HG LYS 28 1HG LYS 28 -1.195 -10.778 -3.621 234 2HG LYS 28 2HG LYS 28 -0.320 -10.778 -2.089 235 1HD LYS 28 1HD LYS 28 -1.945 -8.378 -2.691 236 2HD LYS 28 2HD LYS 28 -2.829 -9.867 -2.349 237 1HE LYS 28 1HE LYS 28 -2.611 -9.196 -0.209 238 2HE LYS 28 2HE LYS 28 -1.012 -9.923 -0.358 239 1HZ LYS 28 1HZ LYS 28 -1.637 -7.051 -0.788 240 2HZ LYS 28 2HZ LYS 28 -0.102 -7.755 -0.883 241 3HZ LYS 28 3HZ LYS 28 -0.916 -7.698 0.598 242 H LYS 29 H LYS 29 0.520 -11.602 -4.798 243 HA LYS 29 HA LYS 29 2.557 -12.359 -6.569 244 1HB LYS 29 1HB LYS 29 0.771 -13.412 -7.898 245 2HB LYS 29 2HB LYS 29 0.613 -13.766 -6.184 246 1HG LYS 29 1HG LYS 29 -1.454 -12.981 -6.182 247 2HG LYS 29 2HG LYS 29 -0.896 -11.418 -6.781 248 1HD LYS 29 1HD LYS 29 -1.171 -13.688 -8.698 249 2HD LYS 29 2HD LYS 29 -2.625 -12.853 -8.148 250 1HE LYS 29 1HE LYS 29 -1.551 -10.703 -8.844 251 2HE LYS 29 2HE LYS 29 -0.244 -11.651 -9.553 252 1HZ LYS 29 1HZ LYS 29 -1.886 -11.041 -11.210 253 2HZ LYS 29 2HZ LYS 29 -3.109 -11.804 -10.325 254 3HZ LYS 29 3HZ LYS 29 -1.859 -12.721 -11.001 Start of MODEL 31 1 H TYR 1 H TYR 1 -11.015 14.095 4.188 2 HA TYR 1 HA TYR 1 -8.348 13.577 5.320 3 1HB TYR 1 1HB TYR 1 -8.430 11.434 4.297 4 2HB TYR 1 2HB TYR 1 -9.940 11.602 5.182 5 HD1 TYR 1 HD1 TYR 1 -8.400 11.383 1.873 6 HD2 TYR 1 HD2 TYR 1 -12.061 11.829 3.993 7 HE1 TYR 1 HE1 TYR 1 -9.645 10.850 -0.180 8 HE2 TYR 1 HE2 TYR 1 -13.317 11.300 1.947 9 HH TYR 1 HH TYR 1 -12.421 9.798 -0.425 10 H LYS 2 H LYS 2 -6.696 13.432 3.681 11 HA LYS 2 HA LYS 2 -7.202 15.278 1.474 12 1HB LYS 2 1HB LYS 2 -5.292 15.728 2.965 13 2HB LYS 2 2HB LYS 2 -4.587 14.179 2.523 14 1HG LYS 2 1HG LYS 2 -3.729 14.984 0.631 15 2HG LYS 2 2HG LYS 2 -5.214 15.842 0.216 16 1HD LYS 2 1HD LYS 2 -4.025 17.700 0.625 17 2HD LYS 2 2HD LYS 2 -4.280 17.308 2.326 18 1HE LYS 2 1HE LYS 2 -2.116 15.781 1.785 19 2HE LYS 2 2HE LYS 2 -1.844 17.124 0.676 20 1HZ LYS 2 1HZ LYS 2 -2.334 17.401 3.594 21 2HZ LYS 2 2HZ LYS 2 -1.984 18.657 2.515 22 3HZ LYS 2 3HZ LYS 2 -0.816 17.481 2.852 23 H PHE 3 H PHE 3 -5.233 12.300 1.824 24 HA PHE 3 HA PHE 3 -5.886 11.644 -0.957 25 1HB PHE 3 1HB PHE 3 -3.550 11.136 0.818 26 2HB PHE 3 2HB PHE 3 -3.921 9.947 -0.410 27 HD1 PHE 3 HD1 PHE 3 -4.177 10.811 -2.832 28 HD2 PHE 3 HD2 PHE 3 -2.293 13.005 0.292 29 HE1 PHE 3 HE1 PHE 3 -3.001 12.178 -4.505 30 HE2 PHE 3 HE2 PHE 3 -1.115 14.376 -1.377 31 HZ PHE 3 HZ PHE 3 -1.468 13.964 -3.779 32 H ALA 4 H ALA 4 -5.999 9.282 -1.460 33 HA ALA 4 HA ALA 4 -6.921 7.545 0.672 34 1HB ALA 4 1HB ALA 4 -9.108 7.655 0.295 35 2HB ALA 4 2HB ALA 4 -8.876 7.392 -1.434 36 3HB ALA 4 3HB ALA 4 -8.806 9.025 -0.773 37 H CYS 5 H CYS 5 -6.713 5.368 0.186 38 HA CYS 5 HA CYS 5 -4.956 4.697 -1.947 39 1HB CYS 5 1HB CYS 5 -5.182 3.519 0.321 40 2HB CYS 5 2HB CYS 5 -6.575 2.705 -0.370 41 HG CYS 5 HG CYS 5 -3.713 2.356 -1.541 42 HA PRO 6 HA PRO 6 -7.951 3.951 -5.142 43 1HB PRO 6 1HB PRO 6 -6.387 2.581 -6.867 44 2HB PRO 6 2HB PRO 6 -6.213 4.321 -6.607 45 1HG PRO 6 1HG PRO 6 -4.612 2.065 -5.459 46 2HG PRO 6 2HG PRO 6 -4.049 3.611 -6.119 47 1HD PRO 6 1HD PRO 6 -4.300 3.148 -3.456 48 2HD PRO 6 2HD PRO 6 -4.520 4.755 -4.180 49 H GLU 7 H GLU 7 -6.314 1.417 -3.407 50 HA GLU 7 HA GLU 7 -8.112 -0.615 -4.521 51 1HB GLU 7 1HB GLU 7 -5.659 -1.061 -4.517 52 2HB GLU 7 2HB GLU 7 -5.689 -1.006 -2.760 53 1HG GLU 7 1HG GLU 7 -7.694 -2.822 -3.660 54 2HG GLU 7 2HG GLU 7 -6.168 -3.206 -4.455 55 H CYS 8 H CYS 8 -6.885 0.534 -1.360 56 HA CYS 8 HA CYS 8 -9.235 -0.700 -0.089 57 1HB CYS 8 1HB CYS 8 -8.002 -0.667 1.980 58 2HB CYS 8 2HB CYS 8 -6.992 -1.379 0.733 59 HG CYS 8 HG CYS 8 -6.524 1.589 1.458 60 HA PRO 9 HA PRO 9 -10.762 3.263 1.121 61 1HB PRO 9 1HB PRO 9 -12.108 2.706 3.359 62 2HB PRO 9 2HB PRO 9 -12.545 1.966 1.816 63 1HG PRO 9 1HG PRO 9 -11.098 0.794 4.136 64 2HG PRO 9 2HG PRO 9 -12.217 0.023 3.002 65 1HD PRO 9 1HD PRO 9 -9.399 -0.067 2.917 66 2HD PRO 9 2HD PRO 9 -10.510 -0.606 1.647 67 H LYS 10 H LYS 10 -7.956 2.994 2.011 68 HA LYS 10 HA LYS 10 -7.926 4.127 4.685 69 1HB LYS 10 1HB LYS 10 -5.619 3.676 2.787 70 2HB LYS 10 2HB LYS 10 -5.494 4.105 4.467 71 1HG LYS 10 1HG LYS 10 -6.990 1.637 3.816 72 2HG LYS 10 2HG LYS 10 -5.236 1.614 3.627 73 1HD LYS 10 1HD LYS 10 -5.313 2.716 6.027 74 2HD LYS 10 2HD LYS 10 -6.882 1.908 6.089 75 1HE LYS 10 1HE LYS 10 -4.318 0.508 5.355 76 2HE LYS 10 2HE LYS 10 -4.943 0.587 7.001 77 1HZ LYS 10 1HZ LYS 10 -6.993 -0.485 6.179 78 2HZ LYS 10 2HZ LYS 10 -5.623 -1.461 6.003 79 3HZ LYS 10 3HZ LYS 10 -6.270 -0.665 4.659 80 H ARG 11 H ARG 11 -7.030 6.180 5.165 81 HA ARG 11 HA ARG 11 -6.786 8.087 2.969 82 1HB ARG 11 1HB ARG 11 -8.496 8.671 5.376 83 2HB ARG 11 2HB ARG 11 -8.304 9.645 3.936 84 1HG ARG 11 1HG ARG 11 -9.582 8.172 2.626 85 2HG ARG 11 2HG ARG 11 -9.499 6.898 3.843 86 1HD ARG 11 1HD ARG 11 -10.760 9.513 4.540 87 2HD ARG 11 2HD ARG 11 -11.663 8.349 3.575 88 HE ARG 11 HE ARG 11 -11.695 6.879 5.400 89 1HH1 ARG 11 1HH1 ARG 11 -10.044 9.871 6.188 90 2HH1 ARG 11 2HH1 ARG 11 -10.108 9.595 7.894 91 1HH2 ARG 11 1HH2 ARG 11 -11.770 6.528 7.648 92 2HH2 ARG 11 2HH2 ARG 11 -11.085 7.701 8.723 93 H PHE 12 H PHE 12 -5.212 9.566 3.292 94 HA PHE 12 HA PHE 12 -4.205 10.017 6.007 95 1HB PHE 12 1HB PHE 12 -2.315 9.451 3.757 96 2HB PHE 12 2HB PHE 12 -1.941 9.560 5.461 97 HD1 PHE 12 HD1 PHE 12 -4.242 7.568 3.292 98 HD2 PHE 12 HD2 PHE 12 -1.391 7.561 6.450 99 HE1 PHE 12 HE1 PHE 12 -4.430 5.138 3.443 100 HE2 PHE 12 HE2 PHE 12 -1.582 5.111 6.609 101 HZ PHE 12 HZ PHE 12 -3.101 3.896 5.090 102 H MET 13 H MET 13 -3.298 12.015 6.363 103 HA MET 13 HA MET 13 -3.872 14.040 4.385 104 1HB MET 13 1HB MET 13 -3.219 15.641 6.094 105 2HB MET 13 2HB MET 13 -4.316 14.449 6.774 106 1HG MET 13 1HG MET 13 -2.645 13.436 8.025 107 2HG MET 13 2HG MET 13 -1.356 14.119 7.036 108 1HE MET 13 1HE MET 13 -4.479 15.441 9.075 109 2HE MET 13 2HE MET 13 -3.642 16.210 10.424 110 3HE MET 13 3HE MET 13 -3.509 14.469 10.181 111 H ARG 14 H ARG 14 -1.209 12.071 5.160 112 HA ARG 14 HA ARG 14 0.741 13.939 4.018 113 1HB ARG 14 1HB ARG 14 1.282 11.215 5.210 114 2HB ARG 14 2HB ARG 14 2.447 12.487 4.878 115 1HG ARG 14 1HG ARG 14 2.231 12.816 7.100 116 2HG ARG 14 2HG ARG 14 0.876 13.815 6.570 117 1HD ARG 14 1HD ARG 14 -0.513 12.552 7.759 118 2HD ARG 14 2HD ARG 14 -0.061 11.150 6.786 119 HE ARG 14 HE ARG 14 1.196 10.393 8.534 120 1HH1 ARG 14 1HH1 ARG 14 0.500 13.782 9.076 121 2HH1 ARG 14 2HH1 ARG 14 1.169 13.790 10.672 122 1HH2 ARG 14 1HH2 ARG 14 2.071 10.410 10.638 123 2HH2 ARG 14 2HH2 ARG 14 2.061 11.877 11.560 124 H SER 15 H SER 15 2.199 13.177 2.342 125 HA SER 15 HA SER 15 0.808 11.450 0.443 126 1HB SER 15 1HB SER 15 1.380 13.151 -0.860 127 2HB SER 15 2HB SER 15 2.644 13.715 0.230 128 HG SER 15 HG SER 15 2.792 11.963 -1.932 129 H ASP 16 H ASP 16 4.086 11.836 1.799 130 HA ASP 16 HA ASP 16 5.116 9.459 0.664 131 1HB ASP 16 1HB ASP 16 6.619 11.212 1.359 132 2HB ASP 16 2HB ASP 16 6.050 11.088 3.017 133 H HIS 17 H HIS 17 3.914 10.188 3.938 134 HA HIS 17 HA HIS 17 4.337 7.639 5.029 135 1HB HIS 17 1HB HIS 17 2.439 9.866 5.727 136 2HB HIS 17 2HB HIS 17 2.423 8.343 6.602 137 HD1 HIS 17 HD1 HIS 17 3.138 9.698 8.729 138 HD2 HIS 17 HD2 HIS 17 5.923 9.679 5.647 139 HE1 HIS 17 HE1 HIS 17 5.265 10.547 9.743 140 HE2 HIS 17 HE2 HIS 17 6.917 10.613 7.844 141 H LEU 18 H LEU 18 1.531 9.001 3.324 142 HA LEU 18 HA LEU 18 -0.218 6.842 3.686 143 1HB LEU 18 1HB LEU 18 -0.806 9.092 2.793 144 2HB LEU 18 2HB LEU 18 -0.039 8.659 1.287 145 HG LEU 18 HG LEU 18 -2.250 6.969 2.377 146 1HD1 LEU 18 1HD1 LEU 18 -2.440 9.674 1.180 147 2HD1 LEU 18 2HD1 LEU 18 -3.446 8.909 2.408 148 3HD1 LEU 18 3HD1 LEU 18 -3.635 8.463 0.713 149 1HD2 LEU 18 1HD2 LEU 18 -1.675 5.854 0.541 150 2HD2 LEU 18 2HD2 LEU 18 -0.741 7.209 -0.100 151 3HD2 LEU 18 3HD2 LEU 18 -2.488 7.153 -0.339 152 H THR 19 H THR 19 2.127 7.539 1.106 153 HA THR 19 HA THR 19 1.550 5.294 -0.455 154 HB THR 19 HB THR 19 4.173 6.785 -0.205 155 HG1 THR 19 HG1 THR 19 2.962 8.295 -1.032 156 1HG2 THR 19 1HG2 THR 19 4.640 4.788 -1.386 157 2HG2 THR 19 2HG2 THR 19 4.484 6.073 -2.583 158 3HG2 THR 19 3HG2 THR 19 3.163 4.930 -2.342 159 H LEU 20 H LEU 20 3.563 5.726 2.389 160 HA LEU 20 HA LEU 20 5.069 3.358 2.252 161 1HB LEU 20 1HB LEU 20 5.356 5.305 3.856 162 2HB LEU 20 2HB LEU 20 4.031 4.631 4.783 163 HG LEU 20 HG LEU 20 5.564 2.459 4.719 164 1HD1 LEU 20 1HD1 LEU 20 7.277 3.493 3.304 165 2HD1 LEU 20 2HD1 LEU 20 7.916 3.022 4.879 166 3HD1 LEU 20 3HD1 LEU 20 7.556 4.716 4.544 167 1HD2 LEU 20 1HD2 LEU 20 6.456 3.133 6.894 168 2HD2 LEU 20 2HD2 LEU 20 4.758 3.577 6.728 169 3HD2 LEU 20 3HD2 LEU 20 6.011 4.807 6.560 170 H HIS 21 H HIS 21 1.806 4.021 3.386 171 HA HIS 21 HA HIS 21 1.255 1.559 4.614 172 1HB HIS 21 1HB HIS 21 -0.692 2.589 5.041 173 2HB HIS 21 2HB HIS 21 -0.094 3.975 4.171 174 HD1 HIS 21 HD1 HIS 21 -1.935 4.788 2.702 175 HD2 HIS 21 HD2 HIS 21 -1.712 0.660 2.740 176 HE1 HIS 21 HE1 HIS 21 -3.768 3.946 1.187 177 H ILE 22 H ILE 22 0.577 2.746 1.364 178 HA ILE 22 HA ILE 22 -0.778 0.555 0.381 179 HB ILE 22 HB ILE 22 1.018 2.254 -1.339 180 1HG1 ILE 22 1HG1 ILE 22 -1.832 2.972 -0.889 181 2HG1 ILE 22 2HG1 ILE 22 -0.717 3.369 0.398 182 1HG2 ILE 22 1HG2 ILE 22 -0.315 1.628 -3.107 183 2HG2 ILE 22 2HG2 ILE 22 -1.707 1.299 -2.072 184 3HG2 ILE 22 3HG2 ILE 22 -0.364 0.156 -2.137 185 1HD1 ILE 22 1HD1 ILE 22 -1.143 4.635 -2.156 186 2HD1 ILE 22 2HD1 ILE 22 0.557 4.268 -1.863 187 3HD1 ILE 22 3HD1 ILE 22 -0.349 5.240 -0.704 188 H LEU 23 H LEU 23 2.543 0.665 1.187 189 HA LEU 23 HA LEU 23 3.640 -1.156 -0.636 190 1HB LEU 23 1HB LEU 23 4.271 -0.402 2.191 191 2HB LEU 23 2HB LEU 23 5.096 -1.765 1.461 192 HG LEU 23 HG LEU 23 5.074 0.918 0.109 193 1HD1 LEU 23 1HD1 LEU 23 6.952 -0.024 2.269 194 2HD1 LEU 23 2HD1 LEU 23 5.905 1.395 2.306 195 3HD1 LEU 23 3HD1 LEU 23 7.271 1.336 1.192 196 1HD2 LEU 23 1HD2 LEU 23 7.115 0.089 -0.907 197 2HD2 LEU 23 2HD2 LEU 23 5.797 -1.053 -1.166 198 3HD2 LEU 23 3HD2 LEU 23 7.022 -1.384 0.058 199 H LEU 24 H LEU 24 1.469 -1.614 2.062 200 HA LEU 24 HA LEU 24 1.830 -4.313 2.655 201 1HB LEU 24 1HB LEU 24 -0.867 -2.965 2.517 202 2HB LEU 24 2HB LEU 24 -0.405 -4.320 3.524 203 HG LEU 24 HG LEU 24 1.112 -1.827 3.987 204 1HD1 LEU 24 1HD1 LEU 24 -1.283 -1.099 3.540 205 2HD1 LEU 24 2HD1 LEU 24 -0.605 -0.657 5.107 206 3HD1 LEU 24 3HD1 LEU 24 -1.721 -2.017 4.982 207 1HD2 LEU 24 1HD2 LEU 24 -0.275 -3.788 5.812 208 2HD2 LEU 24 2HD2 LEU 24 0.834 -2.508 6.306 209 3HD2 LEU 24 3HD2 LEU 24 1.420 -3.855 5.330 210 H HIS 25 H HIS 25 -0.185 -2.803 0.155 211 HA HIS 25 HA HIS 25 -1.299 -5.208 -0.842 212 1HB HIS 25 1HB HIS 25 -0.967 -2.644 -2.399 213 2HB HIS 25 2HB HIS 25 -2.190 -3.891 -2.620 214 HD1 HIS 25 HD1 HIS 25 -3.599 -4.193 -0.084 215 HD2 HIS 25 HD2 HIS 25 -2.058 -0.510 -1.233 216 HE1 HIS 25 HE1 HIS 25 -4.859 -2.449 1.241 217 H GLU 26 H GLU 26 1.612 -3.393 -1.669 218 HA GLU 26 HA GLU 26 2.262 -4.477 -4.118 219 1HB GLU 26 1HB GLU 26 3.816 -3.344 -1.865 220 2HB GLU 26 2HB GLU 26 4.722 -4.296 -3.031 221 1HG GLU 26 1HG GLU 26 4.900 -2.132 -3.834 222 2HG GLU 26 2HG GLU 26 3.605 -2.827 -4.808 223 H ASN 27 H ASN 27 2.875 -5.861 -0.902 224 HA ASN 27 HA ASN 27 3.088 -8.495 -2.125 225 1HB ASN 27 1HB ASN 27 5.390 -7.052 -1.275 226 2HB ASN 27 2HB ASN 27 5.139 -8.373 -0.137 227 1HD2 ASN 27 1HD2 ASN 27 5.650 -7.552 -3.505 228 2HD2 ASN 27 2HD2 ASN 27 6.218 -9.109 -3.993 229 H LYS 28 H LYS 28 1.827 -9.838 -1.030 230 HA LYS 28 HA LYS 28 1.687 -9.654 1.882 231 1HB LYS 28 1HB LYS 28 -0.747 -9.736 1.912 232 2HB LYS 28 2HB LYS 28 -0.196 -8.303 1.058 233 1HG LYS 28 1HG LYS 28 -1.665 -8.900 -0.509 234 2HG LYS 28 2HG LYS 28 -0.464 -10.104 -0.979 235 1HD LYS 28 1HD LYS 28 -1.554 -11.811 0.235 236 2HD LYS 28 2HD LYS 28 -2.553 -10.652 1.114 237 1HE LYS 28 1HE LYS 28 -2.777 -10.698 -1.846 238 2HE LYS 28 2HE LYS 28 -3.471 -12.051 -0.954 239 1HZ LYS 28 1HZ LYS 28 -4.780 -10.481 0.338 240 2HZ LYS 28 2HZ LYS 28 -5.097 -10.306 -1.314 241 3HZ LYS 28 3HZ LYS 28 -4.112 -9.183 -0.520 242 H LYS 29 H LYS 29 1.465 -11.590 2.896 243 HA LYS 29 HA LYS 29 0.462 -13.928 1.576 244 1HB LYS 29 1HB LYS 29 2.676 -15.194 1.951 245 2HB LYS 29 2HB LYS 29 2.539 -14.164 0.534 246 1HG LYS 29 1HG LYS 29 3.923 -12.513 1.462 247 2HG LYS 29 2HG LYS 29 3.781 -13.189 3.086 248 1HD LYS 29 1HD LYS 29 5.066 -15.129 2.434 249 2HD LYS 29 2HD LYS 29 5.114 -14.575 0.760 250 1HE LYS 29 1HE LYS 29 6.471 -12.696 1.351 251 2HE LYS 29 2HE LYS 29 6.272 -13.027 3.071 252 1HZ LYS 29 1HZ LYS 29 7.677 -14.788 1.132 253 2HZ LYS 29 2HZ LYS 29 7.504 -15.082 2.788 254 3HZ LYS 29 3HZ LYS 29 8.426 -13.769 2.256 Start of MODEL 32 1 H TYR 1 H TYR 1 -10.226 14.358 4.101 2 HA TYR 1 HA TYR 1 -7.296 14.099 4.061 3 1HB TYR 1 1HB TYR 1 -9.638 12.205 4.252 4 2HB TYR 1 2HB TYR 1 -8.039 11.652 3.764 5 HD1 TYR 1 HD1 TYR 1 -10.025 13.033 6.536 6 HD2 TYR 1 HD2 TYR 1 -6.255 11.449 5.363 7 HE1 TYR 1 HE1 TYR 1 -9.392 12.807 8.900 8 HE2 TYR 1 HE2 TYR 1 -5.611 11.217 7.724 9 HH TYR 1 HH TYR 1 -7.485 11.062 10.135 10 H LYS 2 H LYS 2 -6.607 14.781 2.117 11 HA LYS 2 HA LYS 2 -8.210 14.414 -0.267 12 1HB LYS 2 1HB LYS 2 -5.535 15.693 0.259 13 2HB LYS 2 2HB LYS 2 -6.159 15.476 -1.370 14 1HG LYS 2 1HG LYS 2 -8.250 16.707 -0.480 15 2HG LYS 2 2HG LYS 2 -7.182 17.227 0.824 16 1HD LYS 2 1HD LYS 2 -5.660 18.225 -0.777 17 2HD LYS 2 2HD LYS 2 -6.639 17.626 -2.117 18 1HE LYS 2 1HE LYS 2 -8.406 19.091 -1.627 19 2HE LYS 2 2HE LYS 2 -7.785 19.434 -0.013 20 1HZ LYS 2 1HZ LYS 2 -5.926 20.609 -1.016 21 2HZ LYS 2 2HZ LYS 2 -7.394 21.277 -1.523 22 3HZ LYS 2 3HZ LYS 2 -6.517 20.275 -2.566 23 H PHE 3 H PHE 3 -5.624 12.749 1.338 24 HA PHE 3 HA PHE 3 -4.835 11.286 -1.028 25 1HB PHE 3 1HB PHE 3 -3.943 10.861 1.824 26 2HB PHE 3 2HB PHE 3 -3.155 10.318 0.370 27 HD1 PHE 3 HD1 PHE 3 -2.112 11.991 -1.179 28 HD2 PHE 3 HD2 PHE 3 -3.516 13.009 2.705 29 HE1 PHE 3 HE1 PHE 3 -0.762 14.046 -1.233 30 HE2 PHE 3 HE2 PHE 3 -2.167 15.065 2.660 31 HZ PHE 3 HZ PHE 3 -0.788 15.587 0.688 32 H ALA 4 H ALA 4 -5.743 9.446 -1.642 33 HA ALA 4 HA ALA 4 -6.968 7.683 0.353 34 1HB ALA 4 1HB ALA 4 -8.353 8.557 -2.181 35 2HB ALA 4 2HB ALA 4 -8.784 9.052 -0.544 36 3HB ALA 4 3HB ALA 4 -8.955 7.366 -1.028 37 H CYS 5 H CYS 5 -6.859 5.508 -0.125 38 HA CYS 5 HA CYS 5 -4.921 4.753 -2.120 39 1HB CYS 5 1HB CYS 5 -5.283 3.748 0.258 40 2HB CYS 5 2HB CYS 5 -6.529 2.788 -0.523 41 HG CYS 5 HG CYS 5 -4.805 1.429 -1.681 42 HA PRO 6 HA PRO 6 -7.886 3.780 -5.289 43 1HB PRO 6 1HB PRO 6 -6.271 2.391 -6.950 44 2HB PRO 6 2HB PRO 6 -6.152 4.144 -6.763 45 1HG PRO 6 1HG PRO 6 -4.478 1.988 -5.534 46 2HG PRO 6 2HG PRO 6 -3.972 3.535 -6.236 47 1HD PRO 6 1HD PRO 6 -4.231 3.122 -3.555 48 2HD PRO 6 2HD PRO 6 -4.460 4.706 -4.324 49 H GLU 7 H GLU 7 -6.148 1.379 -3.465 50 HA GLU 7 HA GLU 7 -7.826 -0.789 -4.492 51 1HB GLU 7 1HB GLU 7 -5.332 -1.068 -4.301 52 2HB GLU 7 2HB GLU 7 -5.515 -0.969 -2.556 53 1HG GLU 7 1HG GLU 7 -5.334 -3.272 -3.282 54 2HG GLU 7 2HG GLU 7 -6.920 -2.960 -2.579 55 H CYS 8 H CYS 8 -6.881 0.720 -1.399 56 HA CYS 8 HA CYS 8 -9.283 -0.483 -0.181 57 1HB CYS 8 1HB CYS 8 -8.156 -0.554 1.919 58 2HB CYS 8 2HB CYS 8 -7.070 -1.243 0.728 59 HG CYS 8 HG CYS 8 -6.568 1.709 1.385 60 HA PRO 9 HA PRO 9 -10.587 3.588 0.948 61 1HB PRO 9 1HB PRO 9 -12.181 3.080 3.014 62 2HB PRO 9 2HB PRO 9 -12.497 2.360 1.432 63 1HG PRO 9 1HG PRO 9 -11.336 1.118 3.877 64 2HG PRO 9 2HG PRO 9 -12.388 0.403 2.645 65 1HD PRO 9 1HD PRO 9 -9.570 0.182 2.804 66 2HD PRO 9 2HD PRO 9 -10.598 -0.318 1.451 67 H LYS 10 H LYS 10 -7.910 3.326 1.955 68 HA LYS 10 HA LYS 10 -8.038 4.240 4.718 69 1HB LYS 10 1HB LYS 10 -5.601 3.791 2.980 70 2HB LYS 10 2HB LYS 10 -5.599 4.146 4.683 71 1HG LYS 10 1HG LYS 10 -7.119 1.769 3.789 72 2HG LYS 10 2HG LYS 10 -5.356 1.687 3.787 73 1HD LYS 10 1HD LYS 10 -6.892 2.636 6.187 74 2HD LYS 10 2HD LYS 10 -6.583 0.922 5.901 75 1HE LYS 10 1HE LYS 10 -4.151 1.457 5.766 76 2HE LYS 10 2HE LYS 10 -4.537 3.110 6.241 77 1HZ LYS 10 1HZ LYS 10 -3.851 1.801 8.140 78 2HZ LYS 10 2HZ LYS 10 -5.075 0.671 7.850 79 3HZ LYS 10 3HZ LYS 10 -5.474 2.251 8.304 80 H ARG 11 H ARG 11 -7.024 6.193 5.400 81 HA ARG 11 HA ARG 11 -6.600 8.261 3.379 82 1HB ARG 11 1HB ARG 11 -8.018 9.630 5.337 83 2HB ARG 11 2HB ARG 11 -8.600 9.199 3.739 84 1HG ARG 11 1HG ARG 11 -10.253 8.503 5.263 85 2HG ARG 11 2HG ARG 11 -9.420 7.039 4.741 86 1HD ARG 11 1HD ARG 11 -9.588 6.749 7.036 87 2HD ARG 11 2HD ARG 11 -7.961 7.394 6.842 88 HE ARG 11 HE ARG 11 -8.604 9.295 7.952 89 1HH1 ARG 11 1HH1 ARG 11 -11.464 7.460 7.104 90 2HH1 ARG 11 2HH1 ARG 11 -12.519 8.422 8.083 91 1HH2 ARG 11 1HH2 ARG 11 -10.002 10.555 9.243 92 2HH2 ARG 11 2HH2 ARG 11 -11.690 10.179 9.295 93 H PHE 12 H PHE 12 -4.907 9.542 3.866 94 HA PHE 12 HA PHE 12 -3.970 9.569 6.659 95 1HB PHE 12 1HB PHE 12 -2.215 9.400 4.235 96 2HB PHE 12 2HB PHE 12 -1.679 9.359 5.899 97 HD1 PHE 12 HD1 PHE 12 -4.203 7.546 3.836 98 HD2 PHE 12 HD2 PHE 12 -0.982 7.267 6.596 99 HE1 PHE 12 HE1 PHE 12 -4.390 5.115 3.784 100 HE2 PHE 12 HE2 PHE 12 -1.169 4.809 6.551 101 HZ PHE 12 HZ PHE 12 -2.883 3.733 5.129 102 H MET 13 H MET 13 -2.675 11.392 7.273 103 HA MET 13 HA MET 13 -3.609 13.846 6.088 104 1HB MET 13 1HB MET 13 -1.754 13.266 8.401 105 2HB MET 13 2HB MET 13 -2.164 14.895 7.884 106 1HG MET 13 1HG MET 13 -3.836 14.761 9.342 107 2HG MET 13 2HG MET 13 -4.625 13.730 8.150 108 1HE MET 13 1HE MET 13 -4.010 13.532 12.082 109 2HE MET 13 2HE MET 13 -5.338 12.421 11.743 110 3HE MET 13 3HE MET 13 -5.284 13.998 10.955 111 H ARG 14 H ARG 14 -0.678 11.937 6.034 112 HA ARG 14 HA ARG 14 0.749 14.038 4.567 113 1HB ARG 14 1HB ARG 14 1.640 11.488 5.901 114 2HB ARG 14 2HB ARG 14 2.689 12.376 4.810 115 1HG ARG 14 1HG ARG 14 3.323 13.138 6.901 116 2HG ARG 14 2HG ARG 14 2.218 14.392 6.337 117 1HD ARG 14 1HD ARG 14 0.736 13.976 7.966 118 2HD ARG 14 2HD ARG 14 0.884 12.226 7.774 119 HE ARG 14 HE ARG 14 2.397 12.197 9.490 120 1HH1 ARG 14 1HH1 ARG 14 1.980 15.511 8.436 121 2HH1 ARG 14 2HH1 ARG 14 2.927 16.169 9.728 122 1HH2 ARG 14 1HH2 ARG 14 3.648 13.068 11.183 123 2HH2 ARG 14 2HH2 ARG 14 3.875 14.782 11.287 124 H SER 15 H SER 15 1.982 13.394 2.633 125 HA SER 15 HA SER 15 0.341 11.718 0.910 126 1HB SER 15 1HB SER 15 1.005 13.000 -0.776 127 2HB SER 15 2HB SER 15 1.574 14.105 0.470 128 HG SER 15 HG SER 15 3.204 13.671 -1.063 129 H ASP 16 H ASP 16 3.729 11.923 1.976 130 HA ASP 16 HA ASP 16 4.563 9.598 0.563 131 1HB ASP 16 1HB ASP 16 5.919 11.609 1.711 132 2HB ASP 16 2HB ASP 16 6.042 10.414 2.996 133 H HIS 17 H HIS 17 3.358 10.189 3.825 134 HA HIS 17 HA HIS 17 3.963 7.668 4.925 135 1HB HIS 17 1HB HIS 17 1.917 9.769 5.589 136 2HB HIS 17 2HB HIS 17 1.957 8.237 6.449 137 HD1 HIS 17 HD1 HIS 17 2.419 10.217 8.389 138 HD2 HIS 17 HD2 HIS 17 5.531 9.142 5.855 139 HE1 HIS 17 HE1 HIS 17 4.519 10.970 9.547 140 HE2 HIS 17 HE2 HIS 17 6.394 10.223 8.041 141 H LEU 18 H LEU 18 0.951 8.888 3.432 142 HA LEU 18 HA LEU 18 -0.547 6.543 3.644 143 1HB LEU 18 1HB LEU 18 -1.394 8.783 2.952 144 2HB LEU 18 2HB LEU 18 -0.657 8.544 1.391 145 HG LEU 18 HG LEU 18 -2.606 6.517 2.393 146 1HD1 LEU 18 1HD1 LEU 18 -3.331 9.140 2.386 147 2HD1 LEU 18 2HD1 LEU 18 -4.430 7.781 2.147 148 3HD1 LEU 18 3HD1 LEU 18 -3.768 8.633 0.754 149 1HD2 LEU 18 1HD2 LEU 18 -1.246 7.145 -0.057 150 2HD2 LEU 18 2HD2 LEU 18 -2.992 7.113 -0.292 151 3HD2 LEU 18 3HD2 LEU 18 -2.165 5.706 0.389 152 H THR 19 H THR 19 1.616 7.658 1.053 153 HA THR 19 HA THR 19 1.185 5.479 -0.653 154 HB THR 19 HB THR 19 3.666 7.201 -0.418 155 HG1 THR 19 HG1 THR 19 2.270 8.657 -1.026 156 1HG2 THR 19 1HG2 THR 19 3.881 6.726 -2.865 157 2HG2 THR 19 2HG2 THR 19 2.680 5.452 -2.653 158 3HG2 THR 19 3HG2 THR 19 4.221 5.361 -1.801 159 H LEU 20 H LEU 20 3.340 5.960 2.093 160 HA LEU 20 HA LEU 20 4.999 3.705 1.702 161 1HB LEU 20 1HB LEU 20 5.214 5.691 3.373 162 2HB LEU 20 2HB LEU 20 4.212 4.707 4.421 163 HG LEU 20 HG LEU 20 5.948 2.879 4.183 164 1HD1 LEU 20 1HD1 LEU 20 8.222 3.672 3.549 165 2HD1 LEU 20 2HD1 LEU 20 7.483 5.150 2.931 166 3HD1 LEU 20 3HD1 LEU 20 7.086 3.593 2.203 167 1HD2 LEU 20 1HD2 LEU 20 6.823 5.478 5.440 168 2HD2 LEU 20 2HD2 LEU 20 7.435 3.872 5.836 169 3HD2 LEU 20 3HD2 LEU 20 5.755 4.284 6.178 170 H HIS 21 H HIS 21 1.820 4.148 3.085 171 HA HIS 21 HA HIS 21 1.501 1.670 4.369 172 1HB HIS 21 1HB HIS 21 -0.439 2.648 4.925 173 2HB HIS 21 2HB HIS 21 -0.032 4.001 3.911 174 HD1 HIS 21 HD1 HIS 21 -2.149 4.568 2.706 175 HD2 HIS 21 HD2 HIS 21 -1.429 0.490 2.755 176 HE1 HIS 21 HE1 HIS 21 -4.024 3.490 1.407 177 H ILE 22 H ILE 22 0.679 2.771 1.134 178 HA ILE 22 HA ILE 22 -0.571 0.412 0.290 179 HB ILE 22 HB ILE 22 0.787 2.294 -1.619 180 1HG1 ILE 22 1HG1 ILE 22 -2.014 2.815 -0.825 181 2HG1 ILE 22 2HG1 ILE 22 -0.814 3.238 0.370 182 1HG2 ILE 22 1HG2 ILE 22 -0.610 1.452 -3.193 183 2HG2 ILE 22 2HG2 ILE 22 -1.934 1.231 -2.047 184 3HG2 ILE 22 3HG2 ILE 22 -0.620 0.056 -2.115 185 1HD1 ILE 22 1HD1 ILE 22 -0.685 5.168 -0.689 186 2HD1 ILE 22 2HD1 ILE 22 -1.533 4.545 -2.103 187 3HD1 ILE 22 3HD1 ILE 22 0.205 4.300 -1.938 188 H LEU 23 H LEU 23 2.618 0.633 1.105 189 HA LEU 23 HA LEU 23 3.803 -0.869 -1.015 190 1HB LEU 23 1HB LEU 23 4.633 0.107 1.648 191 2HB LEU 23 2HB LEU 23 5.436 -1.347 1.093 192 HG LEU 23 HG LEU 23 6.081 -0.126 -0.992 193 1HD1 LEU 23 1HD1 LEU 23 4.926 2.219 0.504 194 2HD1 LEU 23 2HD1 LEU 23 4.402 1.584 -1.054 195 3HD1 LEU 23 3HD1 LEU 23 5.982 2.354 -0.900 196 1HD2 LEU 23 1HD2 LEU 23 7.903 1.063 0.019 197 2HD2 LEU 23 2HD2 LEU 23 7.578 -0.383 0.977 198 3HD2 LEU 23 3HD2 LEU 23 7.031 1.194 1.546 199 H LEU 24 H LEU 24 2.132 -1.651 1.990 200 HA LEU 24 HA LEU 24 2.898 -4.402 2.035 201 1HB LEU 24 1HB LEU 24 0.679 -4.534 3.477 202 2HB LEU 24 2HB LEU 24 2.195 -3.941 4.114 203 HG LEU 24 HG LEU 24 1.352 -1.607 3.583 204 1HD1 LEU 24 1HD1 LEU 24 -1.235 -3.130 3.268 205 2HD1 LEU 24 2HD1 LEU 24 -0.436 -2.141 2.046 206 3HD1 LEU 24 3HD1 LEU 24 -1.117 -1.382 3.483 207 1HD2 LEU 24 1HD2 LEU 24 1.309 -3.002 5.797 208 2HD2 LEU 24 2HD2 LEU 24 -0.437 -2.897 5.568 209 3HD2 LEU 24 3HD2 LEU 24 0.527 -1.424 5.698 210 H HIS 25 H HIS 25 0.457 -2.651 0.306 211 HA HIS 25 HA HIS 25 -1.470 -4.585 -0.150 212 1HB HIS 25 1HB HIS 25 -0.521 -2.192 -1.624 213 2HB HIS 25 2HB HIS 25 -1.494 -3.343 -2.533 214 HD1 HIS 25 HD1 HIS 25 -3.794 -4.053 -0.911 215 HD2 HIS 25 HD2 HIS 25 -2.064 -0.291 -0.590 216 HE1 HIS 25 HE1 HIS 25 -5.559 -2.541 0.091 217 H GLU 26 H GLU 26 1.703 -4.247 -1.647 218 HA GLU 26 HA GLU 26 1.381 -5.934 -3.836 219 1HB GLU 26 1HB GLU 26 3.378 -4.471 -3.284 220 2HB GLU 26 2HB GLU 26 3.907 -5.743 -2.194 221 1HG GLU 26 1HG GLU 26 3.364 -6.242 -5.103 222 2HG GLU 26 2HG GLU 26 4.933 -5.703 -4.509 223 H ASN 27 H ASN 27 3.092 -6.920 -0.849 224 HA ASN 27 HA ASN 27 1.560 -9.219 -0.355 225 1HB ASN 27 1HB ASN 27 2.865 -9.716 -2.607 226 2HB ASN 27 2HB ASN 27 4.183 -10.076 -1.498 227 1HD2 ASN 27 1HD2 ASN 27 0.926 -10.939 -2.451 228 2HD2 ASN 27 2HD2 ASN 27 0.945 -12.526 -1.767 229 H LYS 28 H LYS 28 2.049 -10.059 1.606 230 HA LYS 28 HA LYS 28 4.233 -8.819 3.071 231 1HB LYS 28 1HB LYS 28 3.205 -9.718 5.061 232 2HB LYS 28 2HB LYS 28 1.968 -8.961 4.071 233 1HG LYS 28 1HG LYS 28 0.815 -10.836 4.433 234 2HG LYS 28 2HG LYS 28 1.860 -11.541 3.199 235 1HD LYS 28 1HD LYS 28 2.118 -13.065 4.899 236 2HD LYS 28 2HD LYS 28 3.455 -11.967 5.243 237 1HE LYS 28 1HE LYS 28 0.945 -11.158 6.494 238 2HE LYS 28 2HE LYS 28 1.501 -12.746 7.019 239 1HZ LYS 28 1HZ LYS 28 2.385 -11.017 8.436 240 2HZ LYS 28 2HZ LYS 28 3.081 -10.231 7.111 241 3HZ LYS 28 3HZ LYS 28 3.645 -11.754 7.582 242 H LYS 29 H LYS 29 3.369 -11.939 1.741 243 HA LYS 29 HA LYS 29 5.219 -13.518 3.188 244 1HB LYS 29 1HB LYS 29 3.201 -14.067 1.454 245 2HB LYS 29 2HB LYS 29 4.595 -14.347 0.422 246 1HG LYS 29 1HG LYS 29 5.482 -15.833 2.282 247 2HG LYS 29 2HG LYS 29 3.864 -15.732 2.980 248 1HD LYS 29 1HD LYS 29 3.177 -16.393 0.498 249 2HD LYS 29 2HD LYS 29 4.795 -17.095 0.509 250 1HE LYS 29 1HE LYS 29 2.923 -17.636 2.777 251 2HE LYS 29 2HE LYS 29 2.736 -18.516 1.261 252 1HZ LYS 29 1HZ LYS 29 4.124 -19.749 2.772 253 2HZ LYS 29 2HZ LYS 29 5.178 -18.438 2.951 254 3HZ LYS 29 3HZ LYS 29 5.058 -19.230 1.460 Start of MODEL 33 1 H TYR 1 H TYR 1 -7.868 13.724 6.412 2 HA TYR 1 HA TYR 1 -7.362 11.129 5.142 3 1HB TYR 1 1HB TYR 1 -9.879 11.201 4.674 4 2HB TYR 1 2HB TYR 1 -9.393 10.757 6.304 5 HD1 TYR 1 HD1 TYR 1 -11.051 13.272 4.238 6 HD2 TYR 1 HD2 TYR 1 -9.774 12.290 8.176 7 HE1 TYR 1 HE1 TYR 1 -12.496 15.044 5.141 8 HE2 TYR 1 HE2 TYR 1 -11.215 14.060 9.090 9 HH TYR 1 HH TYR 1 -12.257 16.475 7.721 10 H LYS 2 H LYS 2 -5.964 13.149 4.235 11 HA LYS 2 HA LYS 2 -7.374 14.840 2.399 12 1HB LYS 2 1HB LYS 2 -4.454 14.285 2.880 13 2HB LYS 2 2HB LYS 2 -4.998 15.325 1.570 14 1HG LYS 2 1HG LYS 2 -6.160 16.739 3.247 15 2HG LYS 2 2HG LYS 2 -5.445 15.742 4.517 16 1HD LYS 2 1HD LYS 2 -3.246 16.363 3.062 17 2HD LYS 2 2HD LYS 2 -4.222 17.813 2.816 18 1HE LYS 2 1HE LYS 2 -4.310 18.276 5.116 19 2HE LYS 2 2HE LYS 2 -3.775 16.653 5.548 20 1HZ LYS 2 1HZ LYS 2 -1.602 17.173 4.599 21 2HZ LYS 2 2HZ LYS 2 -2.001 18.248 5.842 22 3HZ LYS 2 3HZ LYS 2 -2.122 18.741 4.230 23 H PHE 3 H PHE 3 -5.155 12.069 1.981 24 HA PHE 3 HA PHE 3 -5.965 11.867 -0.819 25 1HB PHE 3 1HB PHE 3 -3.617 11.037 0.763 26 2HB PHE 3 2HB PHE 3 -4.127 9.896 -0.468 27 HD1 PHE 3 HD1 PHE 3 -2.603 13.109 0.194 28 HD2 PHE 3 HD2 PHE 3 -4.143 10.557 -2.844 29 HE1 PHE 3 HE1 PHE 3 -1.444 14.448 -1.514 30 HE2 PHE 3 HE2 PHE 3 -2.987 11.891 -4.557 31 HZ PHE 3 HZ PHE 3 -1.635 13.839 -3.892 32 H ALA 4 H ALA 4 -5.999 9.441 -1.583 33 HA ALA 4 HA ALA 4 -7.375 7.693 0.303 34 1HB ALA 4 1HB ALA 4 -9.185 8.999 -0.675 35 2HB ALA 4 2HB ALA 4 -9.264 7.321 -1.217 36 3HB ALA 4 3HB ALA 4 -8.637 8.568 -2.295 37 H CYS 5 H CYS 5 -7.096 5.531 -0.135 38 HA CYS 5 HA CYS 5 -5.086 4.861 -2.093 39 1HB CYS 5 1HB CYS 5 -5.331 3.853 0.262 40 2HB CYS 5 2HB CYS 5 -6.622 2.881 -0.422 41 HG CYS 5 HG CYS 5 -4.771 1.337 -0.904 42 HA PRO 6 HA PRO 6 -7.949 3.642 -5.271 43 1HB PRO 6 1HB PRO 6 -6.236 2.358 -6.908 44 2HB PRO 6 2HB PRO 6 -6.217 4.115 -6.719 45 1HG PRO 6 1HG PRO 6 -4.434 2.056 -5.483 46 2HG PRO 6 2HG PRO 6 -4.013 3.637 -6.163 47 1HD PRO 6 1HD PRO 6 -4.297 3.158 -3.484 48 2HD PRO 6 2HD PRO 6 -4.556 4.747 -4.235 49 H GLU 7 H GLU 7 -6.114 1.398 -3.363 50 HA GLU 7 HA GLU 7 -7.588 -0.905 -4.405 51 1HB GLU 7 1HB GLU 7 -5.029 -0.500 -2.984 52 2HB GLU 7 2HB GLU 7 -5.934 -1.933 -2.520 53 1HG GLU 7 1HG GLU 7 -5.907 -2.760 -4.760 54 2HG GLU 7 2HG GLU 7 -5.215 -1.252 -5.358 55 H CYS 8 H CYS 8 -6.875 0.749 -1.329 56 HA CYS 8 HA CYS 8 -9.248 -0.558 -0.159 57 1HB CYS 8 1HB CYS 8 -8.170 -0.545 1.977 58 2HB CYS 8 2HB CYS 8 -7.045 -1.236 0.822 59 HG CYS 8 HG CYS 8 -5.464 0.603 1.233 60 HA PRO 9 HA PRO 9 -10.739 3.473 0.862 61 1HB PRO 9 1HB PRO 9 -12.231 3.006 3.027 62 2HB PRO 9 2HB PRO 9 -12.595 2.240 1.477 63 1HG PRO 9 1HG PRO 9 -11.330 1.086 3.909 64 2HG PRO 9 2HG PRO 9 -12.389 0.314 2.718 65 1HD PRO 9 1HD PRO 9 -9.570 0.168 2.823 66 2HD PRO 9 2HD PRO 9 -10.607 -0.389 1.502 67 H LYS 10 H LYS 10 -7.996 3.146 1.934 68 HA LYS 10 HA LYS 10 -8.111 4.347 4.577 69 1HB LYS 10 1HB LYS 10 -5.712 3.704 2.856 70 2HB LYS 10 2HB LYS 10 -5.653 4.267 4.500 71 1HG LYS 10 1HG LYS 10 -7.257 1.843 4.058 72 2HG LYS 10 2HG LYS 10 -5.517 1.683 3.810 73 1HD LYS 10 1HD LYS 10 -6.215 3.164 6.230 74 2HD LYS 10 2HD LYS 10 -6.814 1.504 6.223 75 1HE LYS 10 1HE LYS 10 -4.604 0.646 5.835 76 2HE LYS 10 2HE LYS 10 -3.963 2.275 5.619 77 1HZ LYS 10 1HZ LYS 10 -4.481 2.746 7.933 78 2HZ LYS 10 2HZ LYS 10 -3.453 1.408 7.811 79 3HZ LYS 10 3HZ LYS 10 -5.096 1.182 8.139 80 H ARG 11 H ARG 11 -7.149 6.349 5.081 81 HA ARG 11 HA ARG 11 -6.695 8.218 2.881 82 1HB ARG 11 1HB ARG 11 -8.558 8.767 5.189 83 2HB ARG 11 2HB ARG 11 -8.102 9.910 3.946 84 1HG ARG 11 1HG ARG 11 -10.063 9.266 3.048 85 2HG ARG 11 2HG ARG 11 -9.066 7.969 2.388 86 1HD ARG 11 1HD ARG 11 -10.944 6.892 3.298 87 2HD ARG 11 2HD ARG 11 -9.662 6.657 4.484 88 HE ARG 11 HE ARG 11 -11.096 8.971 5.158 89 1HH1 ARG 11 1HH1 ARG 11 -11.548 5.499 5.042 90 2HH1 ARG 11 2HH1 ARG 11 -12.715 5.487 6.320 91 1HH2 ARG 11 1HH2 ARG 11 -12.635 8.947 6.838 92 2HH2 ARG 11 2HH2 ARG 11 -13.334 7.444 7.340 93 H PHE 12 H PHE 12 -5.156 9.743 3.306 94 HA PHE 12 HA PHE 12 -4.141 9.976 6.045 95 1HB PHE 12 1HB PHE 12 -2.330 9.499 3.707 96 2HB PHE 12 2HB PHE 12 -1.862 9.601 5.389 97 HD1 PHE 12 HD1 PHE 12 -4.237 7.629 3.286 98 HD2 PHE 12 HD2 PHE 12 -1.340 7.599 6.402 99 HE1 PHE 12 HE1 PHE 12 -4.457 5.199 3.453 100 HE2 PHE 12 HE2 PHE 12 -1.561 5.151 6.576 101 HZ PHE 12 HZ PHE 12 -3.119 3.949 5.086 102 H MET 13 H MET 13 -3.127 11.898 6.549 103 HA MET 13 HA MET 13 -3.803 14.149 4.903 104 1HB MET 13 1HB MET 13 -2.443 13.794 7.553 105 2HB MET 13 2HB MET 13 -2.366 15.348 6.734 106 1HG MET 13 1HG MET 13 -4.484 15.851 7.226 107 2HG MET 13 2HG MET 13 -5.056 14.219 6.888 108 1HE MET 13 1HE MET 13 -5.486 12.451 8.512 109 2HE MET 13 2HE MET 13 -6.668 13.700 8.906 110 3HE MET 13 3HE MET 13 -5.824 12.845 10.198 111 H ARG 14 H ARG 14 -0.983 12.167 5.375 112 HA ARG 14 HA ARG 14 0.717 14.059 3.920 113 1HB ARG 14 1HB ARG 14 1.363 11.517 5.425 114 2HB ARG 14 2HB ARG 14 2.550 12.453 4.529 115 1HG ARG 14 1HG ARG 14 2.189 14.358 5.985 116 2HG ARG 14 2HG ARG 14 0.934 13.476 6.855 117 1HD ARG 14 1HD ARG 14 2.875 13.300 8.180 118 2HD ARG 14 2HD ARG 14 2.700 11.740 7.374 119 HE ARG 14 HE ARG 14 4.354 12.954 5.702 120 1HH1 ARG 14 1HH1 ARG 14 4.429 12.864 9.207 121 2HH1 ARG 14 2HH1 ARG 14 6.152 13.016 9.291 122 1HH2 ARG 14 1HH2 ARG 14 6.616 13.157 5.826 123 2HH2 ARG 14 2HH2 ARG 14 7.393 13.184 7.373 124 H SER 15 H SER 15 2.031 13.281 2.140 125 HA SER 15 HA SER 15 0.537 11.427 0.456 126 1HB SER 15 1HB SER 15 0.981 12.993 -1.036 127 2HB SER 15 2HB SER 15 2.191 13.758 -0.011 128 HG SER 15 HG SER 15 2.494 11.911 -2.060 129 H ASP 16 H ASP 16 3.831 11.879 1.718 130 HA ASP 16 HA ASP 16 4.902 9.537 0.519 131 1HB ASP 16 1HB ASP 16 6.119 11.618 1.525 132 2HB ASP 16 2HB ASP 16 6.032 10.705 3.025 133 H HIS 17 H HIS 17 3.813 10.232 3.846 134 HA HIS 17 HA HIS 17 4.306 7.688 4.909 135 1HB HIS 17 1HB HIS 17 2.514 9.956 5.665 136 2HB HIS 17 2HB HIS 17 2.280 8.402 6.451 137 HD1 HIS 17 HD1 HIS 17 3.006 9.670 8.659 138 HD2 HIS 17 HD2 HIS 17 5.969 9.259 5.775 139 HE1 HIS 17 HE1 HIS 17 5.163 10.166 9.836 140 HE2 HIS 17 HE2 HIS 17 6.926 10.051 8.043 141 H LEU 18 H LEU 18 1.449 8.988 3.261 142 HA LEU 18 HA LEU 18 -0.284 6.828 3.638 143 1HB LEU 18 1HB LEU 18 -0.863 9.061 2.698 144 2HB LEU 18 2HB LEU 18 -0.084 8.599 1.207 145 HG LEU 18 HG LEU 18 -2.313 6.942 2.315 146 1HD1 LEU 18 1HD1 LEU 18 -3.472 8.914 2.284 147 2HD1 LEU 18 2HD1 LEU 18 -3.688 8.385 0.617 148 3HD1 LEU 18 3HD1 LEU 18 -2.473 9.603 1.008 149 1HD2 LEU 18 1HD2 LEU 18 -1.703 5.775 0.520 150 2HD2 LEU 18 2HD2 LEU 18 -0.781 7.120 -0.158 151 3HD2 LEU 18 3HD2 LEU 18 -2.527 7.038 -0.400 152 H THR 19 H THR 19 2.011 7.507 1.011 153 HA THR 19 HA THR 19 1.477 5.226 -0.503 154 HB THR 19 HB THR 19 4.109 6.712 -0.286 155 HG1 THR 19 HG1 THR 19 2.918 8.274 -1.035 156 1HG2 THR 19 1HG2 THR 19 4.336 6.069 -2.689 157 2HG2 THR 19 2HG2 THR 19 2.989 4.955 -2.451 158 3HG2 THR 19 3HG2 THR 19 4.484 4.738 -1.541 159 H LEU 20 H LEU 20 3.501 5.727 2.322 160 HA LEU 20 HA LEU 20 5.043 3.380 2.198 161 1HB LEU 20 1HB LEU 20 5.311 5.375 3.765 162 2HB LEU 20 2HB LEU 20 4.044 4.659 4.740 163 HG LEU 20 HG LEU 20 5.557 2.564 4.801 164 1HD1 LEU 20 1HD1 LEU 20 7.090 3.297 3.036 165 2HD1 LEU 20 2HD1 LEU 20 7.934 3.002 4.555 166 3HD1 LEU 20 3HD1 LEU 20 7.593 4.655 4.042 167 1HD2 LEU 20 1HD2 LEU 20 6.781 3.444 6.722 168 2HD2 LEU 20 2HD2 LEU 20 5.104 3.990 6.732 169 3HD2 LEU 20 3HD2 LEU 20 6.386 5.090 6.227 170 H HIS 21 H HIS 21 1.784 4.018 3.340 171 HA HIS 21 HA HIS 21 1.281 1.564 4.627 172 1HB HIS 21 1HB HIS 21 -0.657 2.606 5.075 173 2HB HIS 21 2HB HIS 21 -0.111 3.963 4.135 174 HD1 HIS 21 HD1 HIS 21 -2.027 4.684 2.710 175 HD2 HIS 21 HD2 HIS 21 -1.684 0.560 2.867 176 HE1 HIS 21 HE1 HIS 21 -3.891 3.750 1.282 177 H ILE 22 H ILE 22 0.634 2.689 1.360 178 HA ILE 22 HA ILE 22 -0.682 0.401 0.455 179 HB ILE 22 HB ILE 22 0.919 2.182 -1.365 180 1HG1 ILE 22 1HG1 ILE 22 -1.911 2.828 -0.774 181 2HG1 ILE 22 2HG1 ILE 22 -0.763 3.237 0.477 182 1HG2 ILE 22 1HG2 ILE 22 -1.804 1.272 -2.024 183 2HG2 ILE 22 2HG2 ILE 22 -0.578 0.007 -1.943 184 3HG2 ILE 22 3HG2 ILE 22 -0.366 1.370 -3.041 185 1HD1 ILE 22 1HD1 ILE 22 -1.350 4.567 -1.981 186 2HD1 ILE 22 2HD1 ILE 22 0.363 4.158 -1.892 187 3HD1 ILE 22 3HD1 ILE 22 -0.386 5.107 -0.610 188 H LEU 23 H LEU 23 2.529 0.547 1.373 189 HA LEU 23 HA LEU 23 3.775 -1.032 -0.602 190 1HB LEU 23 1HB LEU 23 4.362 -0.314 2.222 191 2HB LEU 23 2HB LEU 23 5.196 -1.703 1.554 192 HG LEU 23 HG LEU 23 5.225 0.905 0.080 193 1HD1 LEU 23 1HD1 LEU 23 7.057 0.134 2.349 194 2HD1 LEU 23 2HD1 LEU 23 5.910 1.474 2.335 195 3HD1 LEU 23 3HD1 LEU 23 7.300 1.494 1.252 196 1HD2 LEU 23 1HD2 LEU 23 6.038 -1.213 -0.960 197 2HD2 LEU 23 2HD2 LEU 23 7.273 -1.297 0.296 198 3HD2 LEU 23 3HD2 LEU 23 7.263 0.051 -0.841 199 H LEU 24 H LEU 24 1.850 -1.844 2.269 200 HA LEU 24 HA LEU 24 2.417 -4.615 2.266 201 1HB LEU 24 1HB LEU 24 -0.023 -4.683 3.322 202 2HB LEU 24 2HB LEU 24 1.402 -4.218 4.220 203 HG LEU 24 HG LEU 24 0.802 -1.821 3.712 204 1HD1 LEU 24 1HD1 LEU 24 -0.683 -1.982 1.881 205 2HD1 LEU 24 2HD1 LEU 24 -1.679 -1.510 3.257 206 3HD1 LEU 24 3HD1 LEU 24 -1.680 -3.183 2.699 207 1HD2 LEU 24 1HD2 LEU 24 -0.396 -1.690 5.644 208 2HD2 LEU 24 2HD2 LEU 24 0.250 -3.326 5.781 209 3HD2 LEU 24 3HD2 LEU 24 -1.409 -3.077 5.239 210 H HIS 25 H HIS 25 0.249 -2.706 0.314 211 HA HIS 25 HA HIS 25 -1.489 -4.734 -0.565 212 1HB HIS 25 1HB HIS 25 -0.607 -2.115 -1.751 213 2HB HIS 25 2HB HIS 25 -1.655 -3.201 -2.654 214 HD1 HIS 25 HD1 HIS 25 -3.824 -4.009 -0.903 215 HD2 HIS 25 HD2 HIS 25 -2.067 -0.267 -0.505 216 HE1 HIS 25 HE1 HIS 25 -5.506 -2.557 0.308 217 H GLU 26 H GLU 26 1.647 -3.634 -1.799 218 HA GLU 26 HA GLU 26 1.633 -5.425 -4.039 219 1HB GLU 26 1HB GLU 26 2.868 -3.331 -4.148 220 2HB GLU 26 2HB GLU 26 3.867 -3.816 -2.785 221 1HG GLU 26 1HG GLU 26 3.817 -5.548 -5.204 222 2HG GLU 26 2HG GLU 26 4.718 -4.034 -5.258 223 H ASN 27 H ASN 27 3.743 -5.276 -1.148 224 HA ASN 27 HA ASN 27 4.212 -8.163 -1.438 225 1HB ASN 27 1HB ASN 27 6.207 -7.837 -0.072 226 2HB ASN 27 2HB ASN 27 6.221 -6.726 -1.437 227 1HD2 ASN 27 1HD2 ASN 27 6.053 -4.532 -1.075 228 2HD2 ASN 27 2HD2 ASN 27 6.167 -3.832 0.500 229 H LYS 28 H LYS 28 3.666 -9.592 0.126 230 HA LYS 28 HA LYS 28 1.700 -8.891 2.014 231 1HB LYS 28 1HB LYS 28 1.602 -11.141 2.574 232 2HB LYS 28 2HB LYS 28 2.228 -11.194 0.934 233 1HG LYS 28 1HG LYS 28 3.983 -11.316 3.373 234 2HG LYS 28 2HG LYS 28 3.323 -12.742 2.574 235 1HD LYS 28 1HD LYS 28 4.468 -12.164 0.519 236 2HD LYS 28 2HD LYS 28 5.054 -10.663 1.237 237 1HE LYS 28 1HE LYS 28 5.858 -12.630 3.019 238 2HE LYS 28 2HE LYS 28 6.116 -13.355 1.433 239 1HZ LYS 28 1HZ LYS 28 8.064 -12.138 2.207 240 2HZ LYS 28 2HZ LYS 28 7.160 -10.711 2.300 241 3HZ LYS 28 3HZ LYS 28 7.434 -11.444 0.799 242 H LYS 29 H LYS 29 1.753 -8.448 4.161 243 HA LYS 29 HA LYS 29 4.060 -8.837 5.795 244 1HB LYS 29 1HB LYS 29 4.250 -6.606 4.233 245 2HB LYS 29 2HB LYS 29 3.500 -5.948 5.680 246 1HG LYS 29 1HG LYS 29 5.612 -7.633 6.517 247 2HG LYS 29 2HG LYS 29 6.227 -6.606 5.219 248 1HD LYS 29 1HD LYS 29 6.593 -5.242 7.023 249 2HD LYS 29 2HD LYS 29 4.969 -4.723 6.568 250 1HE LYS 29 1HE LYS 29 4.979 -7.000 8.392 251 2HE LYS 29 2HE LYS 29 5.759 -5.571 9.066 252 1HZ LYS 29 1HZ LYS 29 3.026 -5.643 7.903 253 2HZ LYS 29 2HZ LYS 29 3.773 -4.295 8.598 254 3HZ LYS 29 3HZ LYS 29 3.385 -5.633 9.555 Start of MODEL 34 1 H TYR 1 H TYR 1 -8.228 14.861 5.784 2 HA TYR 1 HA TYR 1 -7.680 12.175 4.716 3 1HB TYR 1 1HB TYR 1 -10.311 13.581 4.549 4 2HB TYR 1 2HB TYR 1 -9.967 11.867 4.740 5 HD1 TYR 1 HD1 TYR 1 -9.198 11.047 7.026 6 HD2 TYR 1 HD2 TYR 1 -10.849 14.919 6.399 7 HE1 TYR 1 HE1 TYR 1 -9.679 11.227 9.430 8 HE2 TYR 1 HE2 TYR 1 -11.333 15.108 8.801 9 HH TYR 1 HH TYR 1 -10.129 13.817 11.029 10 H LYS 2 H LYS 2 -6.126 13.556 3.319 11 HA LYS 2 HA LYS 2 -7.514 14.981 1.179 12 1HB LYS 2 1HB LYS 2 -4.609 14.706 1.926 13 2HB LYS 2 2HB LYS 2 -5.119 15.426 0.405 14 1HG LYS 2 1HG LYS 2 -6.557 16.979 1.872 15 2HG LYS 2 2HG LYS 2 -5.522 16.434 3.192 16 1HD LYS 2 1HD LYS 2 -4.353 17.481 0.635 17 2HD LYS 2 2HD LYS 2 -4.866 18.577 1.918 18 1HE LYS 2 1HE LYS 2 -3.334 17.587 3.468 19 2HE LYS 2 2HE LYS 2 -2.943 16.295 2.333 20 1HZ LYS 2 1HZ LYS 2 -1.214 17.972 2.376 21 2HZ LYS 2 2HZ LYS 2 -2.326 19.176 1.958 22 3HZ LYS 2 3HZ LYS 2 -1.962 17.945 0.858 23 H PHE 3 H PHE 3 -5.124 12.347 1.510 24 HA PHE 3 HA PHE 3 -5.664 11.510 -1.227 25 1HB PHE 3 1HB PHE 3 -3.498 11.091 0.735 26 2HB PHE 3 2HB PHE 3 -3.854 9.723 -0.303 27 HD1 PHE 3 HD1 PHE 3 -3.859 10.110 -2.824 28 HD2 PHE 3 HD2 PHE 3 -2.203 12.863 -0.032 29 HE1 PHE 3 HE1 PHE 3 -2.531 11.132 -4.625 30 HE2 PHE 3 HE2 PHE 3 -0.873 13.890 -1.828 31 HZ PHE 3 HZ PHE 3 -1.037 13.026 -4.129 32 H ALA 4 H ALA 4 -5.783 9.110 -1.617 33 HA ALA 4 HA ALA 4 -6.993 7.498 0.449 34 1HB ALA 4 1HB ALA 4 -9.086 7.095 -0.749 35 2HB ALA 4 2HB ALA 4 -8.618 8.280 -1.969 36 3HB ALA 4 3HB ALA 4 -8.917 8.795 -0.309 37 H CYS 5 H CYS 5 -6.591 5.372 0.113 38 HA CYS 5 HA CYS 5 -4.852 4.587 -1.969 39 1HB CYS 5 1HB CYS 5 -5.108 3.528 0.347 40 2HB CYS 5 2HB CYS 5 -6.492 2.675 -0.316 41 HG CYS 5 HG CYS 5 -3.864 1.588 -0.481 42 HA PRO 6 HA PRO 6 -7.789 3.669 -5.170 43 1HB PRO 6 1HB PRO 6 -6.180 2.257 -6.817 44 2HB PRO 6 2HB PRO 6 -6.026 4.006 -6.618 45 1HG PRO 6 1HG PRO 6 -4.421 1.810 -5.368 46 2HG PRO 6 2HG PRO 6 -3.865 3.343 -6.067 47 1HD PRO 6 1HD PRO 6 -4.167 2.949 -3.391 48 2HD PRO 6 2HD PRO 6 -4.367 4.534 -4.168 49 H GLU 7 H GLU 7 -6.207 1.256 -3.252 50 HA GLU 7 HA GLU 7 -7.908 -0.873 -4.344 51 1HB GLU 7 1HB GLU 7 -5.274 -0.968 -3.877 52 2HB GLU 7 2HB GLU 7 -5.841 -1.456 -2.286 53 1HG GLU 7 1HG GLU 7 -7.130 -3.269 -3.320 54 2HG GLU 7 2HG GLU 7 -6.512 -2.790 -4.900 55 H CYS 8 H CYS 8 -6.919 0.582 -1.237 56 HA CYS 8 HA CYS 8 -9.343 -0.579 -0.022 57 1HB CYS 8 1HB CYS 8 -8.188 -0.566 2.105 58 2HB CYS 8 2HB CYS 8 -7.212 -1.410 0.915 59 HG CYS 8 HG CYS 8 -6.500 1.528 1.552 60 HA PRO 9 HA PRO 9 -10.645 3.504 1.042 61 1HB PRO 9 1HB PRO 9 -12.177 3.076 3.178 62 2HB PRO 9 2HB PRO 9 -12.548 2.326 1.622 63 1HG PRO 9 1HG PRO 9 -11.325 1.126 4.058 64 2HG PRO 9 2HG PRO 9 -12.431 0.399 2.881 65 1HD PRO 9 1HD PRO 9 -9.628 0.113 2.954 66 2HD PRO 9 2HD PRO 9 -10.701 -0.364 1.626 67 H LYS 10 H LYS 10 -7.931 3.199 2.057 68 HA LYS 10 HA LYS 10 -8.036 4.323 4.743 69 1HB LYS 10 1HB LYS 10 -5.554 3.845 3.100 70 2HB LYS 10 2HB LYS 10 -5.665 4.079 4.817 71 1HG LYS 10 1HG LYS 10 -7.218 1.801 3.896 72 2HG LYS 10 2HG LYS 10 -5.492 1.670 3.555 73 1HD LYS 10 1HD LYS 10 -5.261 2.459 6.049 74 2HD LYS 10 2HD LYS 10 -6.905 1.832 6.177 75 1HE LYS 10 1HE LYS 10 -5.417 0.073 6.792 76 2HE LYS 10 2HE LYS 10 -6.072 -0.318 5.204 77 1HZ LYS 10 1HZ LYS 10 -3.475 1.066 5.493 78 2HZ LYS 10 2HZ LYS 10 -4.066 0.196 4.169 79 3HZ LYS 10 3HZ LYS 10 -3.585 -0.620 5.569 80 H ARG 11 H ARG 11 -7.278 6.355 5.280 81 HA ARG 11 HA ARG 11 -6.750 8.227 3.081 82 1HB ARG 11 1HB ARG 11 -8.500 8.867 5.449 83 2HB ARG 11 2HB ARG 11 -8.183 9.886 4.061 84 1HG ARG 11 1HG ARG 11 -9.866 8.999 2.929 85 2HG ARG 11 2HG ARG 11 -9.273 7.363 3.218 86 1HD ARG 11 1HD ARG 11 -10.853 8.963 5.222 87 2HD ARG 11 2HD ARG 11 -11.574 7.816 4.094 88 HE ARG 11 HE ARG 11 -9.742 6.292 5.304 89 1HH1 ARG 11 1HH1 ARG 11 -12.121 8.493 6.636 90 2HH1 ARG 11 2HH1 ARG 11 -12.290 7.607 8.113 91 1HH2 ARG 11 1HH2 ARG 11 -9.971 5.133 7.253 92 2HH2 ARG 11 2HH2 ARG 11 -11.070 5.701 8.465 93 H PHE 12 H PHE 12 -5.122 9.638 3.444 94 HA PHE 12 HA PHE 12 -4.103 9.925 6.185 95 1HB PHE 12 1HB PHE 12 -2.340 9.401 3.816 96 2HB PHE 12 2HB PHE 12 -1.817 9.581 5.474 97 HD1 PHE 12 HD1 PHE 12 -4.317 7.512 3.626 98 HD2 PHE 12 HD2 PHE 12 -1.158 7.614 6.471 99 HE1 PHE 12 HE1 PHE 12 -4.500 5.096 3.900 100 HE2 PHE 12 HE2 PHE 12 -1.341 5.173 6.753 101 HZ PHE 12 HZ PHE 12 -3.019 3.910 5.449 102 H MET 13 H MET 13 -3.014 11.833 6.646 103 HA MET 13 HA MET 13 -3.730 14.074 4.982 104 1HB MET 13 1HB MET 13 -2.263 13.839 7.609 105 2HB MET 13 2HB MET 13 -2.502 15.376 6.791 106 1HG MET 13 1HG MET 13 -5.018 14.607 6.804 107 2HG MET 13 2HG MET 13 -4.469 13.627 8.162 108 1HE MET 13 1HE MET 13 -3.898 14.262 10.265 109 2HE MET 13 2HE MET 13 -4.041 15.851 11.016 110 3HE MET 13 3HE MET 13 -2.584 15.428 10.117 111 H ARG 14 H ARG 14 -0.932 12.086 5.470 112 HA ARG 14 HA ARG 14 0.801 13.982 4.059 113 1HB ARG 14 1HB ARG 14 1.420 11.416 5.532 114 2HB ARG 14 2HB ARG 14 2.619 12.367 4.668 115 1HG ARG 14 1HG ARG 14 2.923 13.119 6.805 116 2HG ARG 14 2HG ARG 14 1.762 14.302 6.201 117 1HD ARG 14 1HD ARG 14 0.350 13.752 7.824 118 2HD ARG 14 2HD ARG 14 0.305 12.091 7.225 119 HE ARG 14 HE ARG 14 2.598 12.670 8.862 120 1HH1 ARG 14 1HH1 ARG 14 -0.755 11.660 8.895 121 2HH1 ARG 14 2HH1 ARG 14 -0.624 10.855 10.421 122 1HH2 ARG 14 1HH2 ARG 14 2.763 11.604 10.871 123 2HH2 ARG 14 2HH2 ARG 14 1.372 10.823 11.543 124 H SER 15 H SER 15 2.103 13.225 2.269 125 HA SER 15 HA SER 15 0.604 11.393 0.567 126 1HB SER 15 1HB SER 15 1.042 13.019 -0.869 127 2HB SER 15 2HB SER 15 2.329 13.698 0.125 128 HG SER 15 HG SER 15 3.770 12.607 -0.993 129 H ASP 16 H ASP 16 3.899 11.802 1.843 130 HA ASP 16 HA ASP 16 4.904 9.433 0.613 131 1HB ASP 16 1HB ASP 16 6.920 9.812 1.868 132 2HB ASP 16 2HB ASP 16 6.333 11.367 1.297 133 H HIS 17 H HIS 17 3.594 10.176 3.818 134 HA HIS 17 HA HIS 17 4.203 7.673 5.002 135 1HB HIS 17 1HB HIS 17 2.165 9.798 5.650 136 2HB HIS 17 2HB HIS 17 2.296 8.313 6.579 137 HD1 HIS 17 HD1 HIS 17 2.850 10.045 8.563 138 HD2 HIS 17 HD2 HIS 17 5.728 9.659 5.593 139 HE1 HIS 17 HE1 HIS 17 4.944 11.037 9.525 140 HE2 HIS 17 HE2 HIS 17 6.697 10.716 7.745 141 H LEU 18 H LEU 18 1.313 8.922 3.353 142 HA LEU 18 HA LEU 18 -0.351 6.704 3.695 143 1HB LEU 18 1HB LEU 18 -0.927 8.985 2.746 144 2HB LEU 18 2HB LEU 18 -0.267 8.428 1.230 145 HG LEU 18 HG LEU 18 -2.405 6.823 2.549 146 1HD1 LEU 18 1HD1 LEU 18 -3.610 8.752 2.631 147 2HD1 LEU 18 2HD1 LEU 18 -3.920 8.287 0.961 148 3HD1 LEU 18 3HD1 LEU 18 -2.697 9.506 1.329 149 1HD2 LEU 18 1HD2 LEU 18 -1.914 5.671 0.698 150 2HD2 LEU 18 2HD2 LEU 18 -1.150 7.057 -0.086 151 3HD2 LEU 18 3HD2 LEU 18 -2.906 6.888 -0.110 152 H THR 19 H THR 19 1.955 7.476 1.104 153 HA THR 19 HA THR 19 1.471 5.224 -0.469 154 HB THR 19 HB THR 19 4.052 6.778 -0.173 155 HG1 THR 19 HG1 THR 19 1.832 7.126 -1.905 156 1HG2 THR 19 1HG2 THR 19 4.577 4.811 -1.378 157 2HG2 THR 19 2HG2 THR 19 4.400 6.107 -2.560 158 3HG2 THR 19 3HG2 THR 19 3.106 4.929 -2.343 159 H LEU 20 H LEU 20 3.484 5.683 2.384 160 HA LEU 20 HA LEU 20 5.024 3.340 2.244 161 1HB LEU 20 1HB LEU 20 5.356 5.211 3.863 162 2HB LEU 20 2HB LEU 20 3.927 4.680 4.724 163 HG LEU 20 HG LEU 20 6.157 4.009 5.709 164 1HD1 LEU 20 1HD1 LEU 20 4.702 1.495 5.189 165 2HD1 LEU 20 2HD1 LEU 20 3.763 2.828 5.861 166 3HD1 LEU 20 3HD1 LEU 20 5.189 2.236 6.714 167 1HD2 LEU 20 1HD2 LEU 20 6.157 1.934 3.530 168 2HD2 LEU 20 2HD2 LEU 20 7.387 2.222 4.761 169 3HD2 LEU 20 3HD2 LEU 20 7.140 3.397 3.470 170 H HIS 21 H HIS 21 1.800 3.964 3.544 171 HA HIS 21 HA HIS 21 1.262 1.456 4.645 172 1HB HIS 21 1HB HIS 21 -0.654 2.492 5.175 173 2HB HIS 21 2HB HIS 21 -0.105 3.890 4.292 174 HD1 HIS 21 HD1 HIS 21 -2.075 4.697 2.986 175 HD2 HIS 21 HD2 HIS 21 -1.698 0.582 2.823 176 HE1 HIS 21 HE1 HIS 21 -3.952 3.853 1.529 177 H ILE 22 H ILE 22 0.462 2.758 1.459 178 HA ILE 22 HA ILE 22 -0.896 0.578 0.450 179 HB ILE 22 HB ILE 22 0.797 2.352 -1.299 180 1HG1 ILE 22 1HG1 ILE 22 -2.029 3.041 -0.698 181 2HG1 ILE 22 2HG1 ILE 22 -0.863 3.402 0.553 182 1HG2 ILE 22 1HG2 ILE 22 -1.953 1.335 -1.882 183 2HG2 ILE 22 2HG2 ILE 22 -0.555 0.286 -2.129 184 3HG2 ILE 22 3HG2 ILE 22 -0.678 1.811 -3.004 185 1HD1 ILE 22 1HD1 ILE 22 -1.462 4.832 -1.823 186 2HD1 ILE 22 2HD1 ILE 22 0.228 4.330 -1.856 187 3HD1 ILE 22 3HD1 ILE 22 -0.388 5.269 -0.496 188 H LEU 23 H LEU 23 2.462 0.724 1.112 189 HA LEU 23 HA LEU 23 3.488 -1.018 -0.829 190 1HB LEU 23 1HB LEU 23 4.436 0.211 1.507 191 2HB LEU 23 2HB LEU 23 4.663 -1.508 1.751 192 HG LEU 23 HG LEU 23 5.812 -1.514 -0.539 193 1HD1 LEU 23 1HD1 LEU 23 6.822 0.634 -1.184 194 2HD1 LEU 23 2HD1 LEU 23 5.855 1.443 0.048 195 3HD1 LEU 23 3HD1 LEU 23 5.063 0.653 -1.315 196 1HD2 LEU 23 1HD2 LEU 23 6.959 -1.752 1.636 197 2HD2 LEU 23 2HD2 LEU 23 7.128 0.001 1.711 198 3HD2 LEU 23 3HD2 LEU 23 7.935 -0.908 0.434 199 H LEU 24 H LEU 24 1.483 -1.591 1.971 200 HA LEU 24 HA LEU 24 1.903 -4.283 2.493 201 1HB LEU 24 1HB LEU 24 -0.808 -2.951 2.448 202 2HB LEU 24 2HB LEU 24 -0.345 -4.363 3.375 203 HG LEU 24 HG LEU 24 1.185 -1.893 3.939 204 1HD1 LEU 24 1HD1 LEU 24 -1.606 -2.174 5.024 205 2HD1 LEU 24 2HD1 LEU 24 -1.242 -1.185 3.610 206 3HD1 LEU 24 3HD1 LEU 24 -0.505 -0.803 5.166 207 1HD2 LEU 24 1HD2 LEU 24 -0.115 -3.989 5.676 208 2HD2 LEU 24 2HD2 LEU 24 0.972 -2.713 6.225 209 3HD2 LEU 24 3HD2 LEU 24 1.571 -3.980 5.153 210 H HIS 25 H HIS 25 -0.325 -2.809 0.148 211 HA HIS 25 HA HIS 25 -1.376 -5.195 -0.901 212 1HB HIS 25 1HB HIS 25 -1.056 -2.609 -2.433 213 2HB HIS 25 2HB HIS 25 -2.270 -3.860 -2.678 214 HD1 HIS 25 HD1 HIS 25 -3.939 -4.149 -0.445 215 HD2 HIS 25 HD2 HIS 25 -1.919 -0.552 -0.950 216 HE1 HIS 25 HE1 HIS 25 -5.145 -2.446 0.989 217 H GLU 26 H GLU 26 1.379 -3.206 -1.943 218 HA GLU 26 HA GLU 26 2.035 -5.132 -4.033 219 1HB GLU 26 1HB GLU 26 2.154 -2.552 -4.250 220 2HB GLU 26 2HB GLU 26 3.658 -2.694 -3.352 221 1HG GLU 26 1HG GLU 26 4.732 -3.812 -5.062 222 2HG GLU 26 2HG GLU 26 3.223 -4.351 -5.796 223 H ASN 27 H ASN 27 2.266 -6.552 -1.883 224 HA ASN 27 HA ASN 27 5.024 -7.211 -1.703 225 1HB ASN 27 1HB ASN 27 4.740 -5.201 -0.112 226 2HB ASN 27 2HB ASN 27 3.846 -6.312 0.922 227 1HD2 ASN 27 1HD2 ASN 27 6.949 -5.778 -0.660 228 2HD2 ASN 27 2HD2 ASN 27 7.886 -6.680 0.476 229 H LYS 28 H LYS 28 4.362 -9.265 -2.263 230 HA LYS 28 HA LYS 28 3.454 -10.932 -0.116 231 1HB LYS 28 1HB LYS 28 1.390 -11.683 -0.978 232 2HB LYS 28 2HB LYS 28 1.326 -9.932 -1.091 233 1HG LYS 28 1HG LYS 28 2.159 -11.615 -3.428 234 2HG LYS 28 2HG LYS 28 0.462 -11.309 -3.065 235 1HD LYS 28 1HD LYS 28 0.611 -9.077 -3.581 236 2HD LYS 28 2HD LYS 28 2.329 -8.990 -3.189 237 1HE LYS 28 1HE LYS 28 2.366 -8.832 -5.489 238 2HE LYS 28 2HE LYS 28 2.604 -10.562 -5.244 239 1HZ LYS 28 1HZ LYS 28 0.033 -9.228 -5.908 240 2HZ LYS 28 2HZ LYS 28 0.224 -10.885 -5.626 241 3HZ LYS 28 3HZ LYS 28 0.973 -10.164 -6.959 242 H LYS 29 H LYS 29 3.976 -13.068 -0.401 243 HA LYS 29 HA LYS 29 4.496 -14.304 -2.882 244 1HB LYS 29 1HB LYS 29 7.023 -14.584 -2.475 245 2HB LYS 29 2HB LYS 29 6.462 -13.069 -3.167 246 1HG LYS 29 1HG LYS 29 6.458 -12.750 -0.359 247 2HG LYS 29 2HG LYS 29 7.990 -13.506 -0.805 248 1HD LYS 29 1HD LYS 29 8.546 -11.739 -2.272 249 2HD LYS 29 2HD LYS 29 6.905 -11.091 -2.235 250 1HE LYS 29 1HE LYS 29 8.262 -11.279 0.374 251 2HE LYS 29 2HE LYS 29 8.956 -10.123 -0.762 252 1HZ LYS 29 1HZ LYS 29 7.249 -9.139 0.673 253 2HZ LYS 29 2HZ LYS 29 6.097 -10.201 0.038 254 3HZ LYS 29 3HZ LYS 29 6.827 -9.050 -0.964 Start of MODEL 35 1 H TYR 1 H TYR 1 -7.104 13.612 6.840 2 HA TYR 1 HA TYR 1 -7.239 11.417 5.748 3 1HB TYR 1 1HB TYR 1 -10.188 12.013 6.100 4 2HB TYR 1 2HB TYR 1 -9.550 10.771 5.033 5 HD1 TYR 1 HD1 TYR 1 -7.339 9.772 6.880 6 HD2 TYR 1 HD2 TYR 1 -11.442 10.659 7.575 7 HE1 TYR 1 HE1 TYR 1 -7.364 8.166 8.739 8 HE2 TYR 1 HE2 TYR 1 -11.477 9.056 9.439 9 HH TYR 1 HH TYR 1 -9.211 8.065 11.061 10 H LYS 2 H LYS 2 -6.108 12.799 4.351 11 HA LYS 2 HA LYS 2 -7.653 14.662 2.715 12 1HB LYS 2 1HB LYS 2 -5.444 15.302 3.764 13 2HB LYS 2 2HB LYS 2 -4.673 14.186 2.646 14 1HG LYS 2 1HG LYS 2 -5.205 15.488 0.787 15 2HG LYS 2 2HG LYS 2 -6.445 16.390 1.662 16 1HD LYS 2 1HD LYS 2 -4.673 17.896 1.529 17 2HD LYS 2 2HD LYS 2 -4.503 17.207 3.145 18 1HE LYS 2 1HE LYS 2 -2.346 17.018 2.437 19 2HE LYS 2 2HE LYS 2 -2.971 15.480 1.846 20 1HZ LYS 2 1HZ LYS 2 -3.261 16.451 -0.330 21 2HZ LYS 2 2HZ LYS 2 -1.661 16.660 0.172 22 3HZ LYS 2 3HZ LYS 2 -2.740 17.961 0.227 23 H PHE 3 H PHE 3 -5.201 12.118 2.123 24 HA PHE 3 HA PHE 3 -6.127 11.831 -0.610 25 1HB PHE 3 1HB PHE 3 -3.790 10.818 0.970 26 2HB PHE 3 2HB PHE 3 -4.217 10.065 -0.550 27 HD1 PHE 3 HD1 PHE 3 -2.500 12.747 1.019 28 HD2 PHE 3 HD2 PHE 3 -4.364 11.562 -2.620 29 HE1 PHE 3 HE1 PHE 3 -1.254 14.494 -0.184 30 HE2 PHE 3 HE2 PHE 3 -3.121 13.307 -3.829 31 HZ PHE 3 HZ PHE 3 -1.564 14.776 -2.611 32 H ALA 4 H ALA 4 -5.974 9.355 -1.343 33 HA ALA 4 HA ALA 4 -7.192 7.522 0.529 34 1HB ALA 4 1HB ALA 4 -9.134 8.791 -0.227 35 2HB ALA 4 2HB ALA 4 -9.200 7.127 -0.807 36 3HB ALA 4 3HB ALA 4 -8.727 8.424 -1.905 37 H CYS 5 H CYS 5 -6.865 5.397 -0.018 38 HA CYS 5 HA CYS 5 -4.970 4.858 -2.099 39 1HB CYS 5 1HB CYS 5 -5.171 3.674 0.179 40 2HB CYS 5 2HB CYS 5 -6.479 2.758 -0.555 41 HG CYS 5 HG CYS 5 -3.894 1.739 -0.701 42 HA PRO 6 HA PRO 6 -7.860 3.932 -5.344 43 1HB PRO 6 1HB PRO 6 -6.222 2.539 -6.991 44 2HB PRO 6 2HB PRO 6 -6.111 4.292 -6.795 45 1HG PRO 6 1HG PRO 6 -4.458 2.137 -5.534 46 2HG PRO 6 2HG PRO 6 -3.936 3.679 -6.238 47 1HD PRO 6 1HD PRO 6 -4.217 3.304 -3.568 48 2HD PRO 6 2HD PRO 6 -4.496 4.873 -4.352 49 H GLU 7 H GLU 7 -6.194 1.476 -3.520 50 HA GLU 7 HA GLU 7 -7.908 -0.632 -4.609 51 1HB GLU 7 1HB GLU 7 -5.285 -0.567 -3.195 52 2HB GLU 7 2HB GLU 7 -6.298 -1.986 -2.994 53 1HG GLU 7 1HG GLU 7 -4.870 -2.500 -4.770 54 2HG GLU 7 2HG GLU 7 -6.410 -2.088 -5.525 55 H CYS 8 H CYS 8 -6.802 0.639 -1.453 56 HA CYS 8 HA CYS 8 -9.180 -0.574 -0.211 57 1HB CYS 8 1HB CYS 8 -8.003 -0.541 1.873 58 2HB CYS 8 2HB CYS 8 -6.927 -1.220 0.664 59 HG CYS 8 HG CYS 8 -5.347 0.634 1.001 60 HA PRO 9 HA PRO 9 -10.708 3.415 0.901 61 1HB PRO 9 1HB PRO 9 -12.077 2.902 3.142 62 2HB PRO 9 2HB PRO 9 -12.515 2.163 1.599 63 1HG PRO 9 1HG PRO 9 -11.136 0.972 3.944 64 2HG PRO 9 2HG PRO 9 -12.224 0.213 2.772 65 1HD PRO 9 1HD PRO 9 -9.395 0.119 2.780 66 2HD PRO 9 2HD PRO 9 -10.472 -0.447 1.493 67 H LYS 10 H LYS 10 -7.901 2.924 2.002 68 HA LYS 10 HA LYS 10 -7.923 4.181 4.596 69 1HB LYS 10 1HB LYS 10 -5.584 3.639 2.760 70 2HB LYS 10 2HB LYS 10 -5.475 4.138 4.420 71 1HG LYS 10 1HG LYS 10 -6.999 1.667 3.844 72 2HG LYS 10 2HG LYS 10 -5.241 1.611 3.704 73 1HD LYS 10 1HD LYS 10 -4.915 1.965 5.945 74 2HD LYS 10 2HD LYS 10 -6.426 2.856 6.135 75 1HE LYS 10 1HE LYS 10 -6.658 0.762 7.263 76 2HE LYS 10 2HE LYS 10 -7.651 0.707 5.808 77 1HZ LYS 10 1HZ LYS 10 -6.036 -0.634 4.722 78 2HZ LYS 10 2HZ LYS 10 -6.317 -1.332 6.237 79 3HZ LYS 10 3HZ LYS 10 -4.912 -0.427 5.970 80 H ARG 11 H ARG 11 -6.993 6.216 5.076 81 HA ARG 11 HA ARG 11 -6.681 8.100 2.867 82 1HB ARG 11 1HB ARG 11 -8.474 8.603 5.238 83 2HB ARG 11 2HB ARG 11 -8.121 9.740 3.956 84 1HG ARG 11 1HG ARG 11 -9.409 8.601 2.403 85 2HG ARG 11 2HG ARG 11 -9.360 7.097 3.323 86 1HD ARG 11 1HD ARG 11 -10.557 9.038 4.984 87 2HD ARG 11 2HD ARG 11 -11.300 9.198 3.394 88 HE ARG 11 HE ARG 11 -12.268 7.127 3.654 89 1HH1 ARG 11 1HH1 ARG 11 -9.927 7.626 6.213 90 2HH1 ARG 11 2HH1 ARG 11 -10.448 6.249 7.123 91 1HH2 ARG 11 1HH2 ARG 11 -12.947 5.317 4.859 92 2HH2 ARG 11 2HH2 ARG 11 -12.161 4.938 6.355 93 H PHE 12 H PHE 12 -5.162 9.650 3.227 94 HA PHE 12 HA PHE 12 -4.104 9.999 5.935 95 1HB PHE 12 1HB PHE 12 -2.286 9.462 3.616 96 2HB PHE 12 2HB PHE 12 -1.835 9.592 5.299 97 HD1 PHE 12 HD1 PHE 12 -4.162 7.576 3.193 98 HD2 PHE 12 HD2 PHE 12 -1.331 7.614 6.365 99 HE1 PHE 12 HE1 PHE 12 -4.379 5.150 3.401 100 HE2 PHE 12 HE2 PHE 12 -1.546 5.169 6.582 101 HZ PHE 12 HZ PHE 12 -3.073 3.935 5.083 102 H MET 13 H MET 13 -3.179 11.969 6.348 103 HA MET 13 HA MET 13 -3.821 14.095 4.514 104 1HB MET 13 1HB MET 13 -2.577 14.021 7.257 105 2HB MET 13 2HB MET 13 -2.704 15.512 6.335 106 1HG MET 13 1HG MET 13 -5.111 15.315 6.280 107 2HG MET 13 2HG MET 13 -5.025 13.762 7.110 108 1HE MET 13 1HE MET 13 -4.398 14.543 10.724 109 2HE MET 13 2HE MET 13 -3.817 13.500 9.427 110 3HE MET 13 3HE MET 13 -5.549 13.688 9.697 111 H ARG 14 H ARG 14 -1.080 12.130 5.147 112 HA ARG 14 HA ARG 14 0.761 14.036 3.897 113 1HB ARG 14 1HB ARG 14 1.311 11.387 5.251 114 2HB ARG 14 2HB ARG 14 2.534 12.475 4.614 115 1HG ARG 14 1HG ARG 14 2.565 12.961 6.865 116 2HG ARG 14 2HG ARG 14 1.484 14.205 6.234 117 1HD ARG 14 1HD ARG 14 -0.095 13.516 7.635 118 2HD ARG 14 2HD ARG 14 -0.111 11.951 6.817 119 HE ARG 14 HE ARG 14 1.943 12.297 8.835 120 1HH1 ARG 14 1HH1 ARG 14 -1.280 11.127 8.117 121 2HH1 ARG 14 2HH1 ARG 14 -1.322 10.049 9.469 122 1HH2 ARG 14 1HH2 ARG 14 1.882 10.872 10.614 123 2HH2 ARG 14 2HH2 ARG 14 0.472 9.903 10.886 124 H SER 15 H SER 15 2.184 13.284 2.186 125 HA SER 15 HA SER 15 0.765 11.521 0.343 126 1HB SER 15 1HB SER 15 1.301 13.172 -1.029 127 2HB SER 15 2HB SER 15 2.512 13.831 0.066 128 HG SER 15 HG SER 15 4.031 12.780 -0.978 129 H ASP 16 H ASP 16 4.015 11.912 1.745 130 HA ASP 16 HA ASP 16 5.045 9.538 0.549 131 1HB ASP 16 1HB ASP 16 7.031 9.920 1.846 132 2HB ASP 16 2HB ASP 16 6.454 11.476 1.267 133 H HIS 17 H HIS 17 3.633 10.275 3.712 134 HA HIS 17 HA HIS 17 4.239 7.768 4.901 135 1HB HIS 17 1HB HIS 17 2.175 9.874 5.536 136 2HB HIS 17 2HB HIS 17 2.333 8.394 6.469 137 HD1 HIS 17 HD1 HIS 17 2.833 10.233 8.410 138 HD2 HIS 17 HD2 HIS 17 5.767 9.700 5.520 139 HE1 HIS 17 HE1 HIS 17 4.921 11.232 9.382 140 HE2 HIS 17 HE2 HIS 17 6.706 10.822 7.653 141 H LEU 18 H LEU 18 1.393 9.011 3.175 142 HA LEU 18 HA LEU 18 -0.281 6.797 3.509 143 1HB LEU 18 1HB LEU 18 -0.896 9.032 2.555 144 2HB LEU 18 2HB LEU 18 -0.118 8.558 1.068 145 HG LEU 18 HG LEU 18 -2.298 6.862 2.207 146 1HD1 LEU 18 1HD1 LEU 18 -3.991 8.176 1.442 147 2HD1 LEU 18 2HD1 LEU 18 -2.975 8.968 0.238 148 3HD1 LEU 18 3HD1 LEU 18 -2.847 9.424 1.936 149 1HD2 LEU 18 1HD2 LEU 18 -1.698 5.710 0.401 150 2HD2 LEU 18 2HD2 LEU 18 -0.798 7.068 -0.278 151 3HD2 LEU 18 3HD2 LEU 18 -2.543 6.964 -0.511 152 H THR 19 H THR 19 2.104 7.534 0.980 153 HA THR 19 HA THR 19 1.638 5.275 -0.589 154 HB THR 19 HB THR 19 4.234 6.794 -0.239 155 HG1 THR 19 HG1 THR 19 2.049 7.195 -2.001 156 1HG2 THR 19 1HG2 THR 19 4.744 4.821 -1.443 157 2HG2 THR 19 2HG2 THR 19 4.617 6.130 -2.619 158 3HG2 THR 19 3HG2 THR 19 3.295 4.976 -2.438 159 H LEU 20 H LEU 20 3.566 5.735 2.317 160 HA LEU 20 HA LEU 20 5.097 3.381 2.225 161 1HB LEU 20 1HB LEU 20 5.428 5.263 3.825 162 2HB LEU 20 2HB LEU 20 3.973 4.771 4.665 163 HG LEU 20 HG LEU 20 6.164 4.081 5.715 164 1HD1 LEU 20 1HD1 LEU 20 5.156 2.327 6.715 165 2HD1 LEU 20 2HD1 LEU 20 4.687 1.580 5.188 166 3HD1 LEU 20 3HD1 LEU 20 3.757 2.933 5.830 167 1HD2 LEU 20 1HD2 LEU 20 7.133 3.407 3.446 168 2HD2 LEU 20 2HD2 LEU 20 6.211 1.916 3.639 169 3HD2 LEU 20 3HD2 LEU 20 7.448 2.346 4.819 170 H HIS 21 H HIS 21 1.855 4.041 3.471 171 HA HIS 21 HA HIS 21 1.268 1.580 4.620 172 1HB HIS 21 1HB HIS 21 -0.684 2.611 5.018 173 2HB HIS 21 2HB HIS 21 -0.085 3.988 4.134 174 HD1 HIS 21 HD1 HIS 21 -1.937 4.772 2.657 175 HD2 HIS 21 HD2 HIS 21 -1.651 0.646 2.706 176 HE1 HIS 21 HE1 HIS 21 -3.744 3.898 1.127 177 H ILE 22 H ILE 22 0.595 2.738 1.356 178 HA ILE 22 HA ILE 22 -0.754 0.562 0.371 179 HB ILE 22 HB ILE 22 1.099 2.230 -1.323 180 1HG1 ILE 22 1HG1 ILE 22 -1.766 2.934 -0.945 181 2HG1 ILE 22 2HG1 ILE 22 -0.673 3.359 0.351 182 1HG2 ILE 22 1HG2 ILE 22 -0.165 1.582 -3.127 183 2HG2 ILE 22 2HG2 ILE 22 -1.598 1.278 -2.141 184 3HG2 ILE 22 3HG2 ILE 22 -0.264 0.121 -2.142 185 1HD1 ILE 22 1HD1 ILE 22 0.598 4.209 -1.959 186 2HD1 ILE 22 2HD1 ILE 22 -0.243 5.201 -0.767 187 3HD1 ILE 22 3HD1 ILE 22 -1.102 4.614 -2.189 188 H LEU 23 H LEU 23 2.602 0.649 1.151 189 HA LEU 23 HA LEU 23 3.629 -1.247 -0.630 190 1HB LEU 23 1HB LEU 23 4.366 -0.238 2.040 191 2HB LEU 23 2HB LEU 23 4.970 -1.837 1.660 192 HG LEU 23 HG LEU 23 5.379 0.319 -0.355 193 1HD1 LEU 23 1HD1 LEU 23 6.905 0.079 2.230 194 2HD1 LEU 23 2HD1 LEU 23 6.034 1.486 1.617 195 3HD1 LEU 23 3HD1 LEU 23 7.501 0.936 0.808 196 1HD2 LEU 23 1HD2 LEU 23 7.109 -1.957 0.609 197 2HD2 LEU 23 2HD2 LEU 23 7.417 -0.918 -0.783 198 3HD2 LEU 23 3HD2 LEU 23 6.035 -2.016 -0.789 199 H LEU 24 H LEU 24 1.498 -1.603 2.119 200 HA LEU 24 HA LEU 24 1.808 -4.298 2.751 201 1HB LEU 24 1HB LEU 24 -0.850 -2.872 2.633 202 2HB LEU 24 2HB LEU 24 -0.427 -4.243 3.636 203 HG LEU 24 HG LEU 24 1.179 -1.802 4.078 204 1HD1 LEU 24 1HD1 LEU 24 -1.633 -1.900 5.139 205 2HD1 LEU 24 2HD1 LEU 24 -1.213 -1.016 3.670 206 3HD1 LEU 24 3HD1 LEU 24 -0.477 -0.571 5.211 207 1HD2 LEU 24 1HD2 LEU 24 1.454 -3.835 5.413 208 2HD2 LEU 24 2HD2 LEU 24 -0.232 -3.730 5.918 209 3HD2 LEU 24 3HD2 LEU 24 0.913 -2.479 6.402 210 H HIS 25 H HIS 25 -0.297 -2.786 0.318 211 HA HIS 25 HA HIS 25 -1.533 -5.082 -0.668 212 1HB HIS 25 1HB HIS 25 -0.806 -2.580 -2.212 213 2HB HIS 25 2HB HIS 25 -2.022 -3.765 -2.676 214 HD1 HIS 25 HD1 HIS 25 -3.807 -4.077 -0.360 215 HD2 HIS 25 HD2 HIS 25 -2.040 -0.420 -1.241 216 HE1 HIS 25 HE1 HIS 25 -5.213 -2.312 0.779 217 H GLU 26 H GLU 26 1.528 -3.562 -1.618 218 HA GLU 26 HA GLU 26 2.069 -5.295 -3.795 219 1HB GLU 26 1HB GLU 26 3.806 -3.499 -2.110 220 2HB GLU 26 2HB GLU 26 4.474 -4.487 -3.400 221 1HG GLU 26 1HG GLU 26 4.140 -2.480 -4.462 222 2HG GLU 26 2HG GLU 26 2.664 -3.352 -4.867 223 H ASN 27 H ASN 27 3.140 -5.298 -0.401 224 HA ASN 27 HA ASN 27 3.330 -8.160 -0.378 225 1HB ASN 27 1HB ASN 27 5.676 -6.673 -1.040 226 2HB ASN 27 2HB ASN 27 5.898 -7.361 0.566 227 1HD2 ASN 27 1HD2 ASN 27 5.333 -9.708 0.757 228 2HD2 ASN 27 2HD2 ASN 27 5.778 -10.734 -0.560 229 H LYS 28 H LYS 28 2.846 -8.880 1.600 230 HA LYS 28 HA LYS 28 2.468 -6.980 3.736 231 1HB LYS 28 1HB LYS 28 0.990 -9.030 3.118 232 2HB LYS 28 2HB LYS 28 2.162 -9.950 4.050 233 1HG LYS 28 1HG LYS 28 1.394 -9.184 6.013 234 2HG LYS 28 2HG LYS 28 1.142 -7.551 5.395 235 1HD LYS 28 1HD LYS 28 -0.866 -8.491 4.154 236 2HD LYS 28 2HD LYS 28 -0.670 -9.940 5.143 237 1HE LYS 28 1HE LYS 28 -0.902 -8.584 7.169 238 2HE LYS 28 2HE LYS 28 -1.099 -7.139 6.179 239 1HZ LYS 28 1HZ LYS 28 -2.920 -9.485 6.206 240 2HZ LYS 28 2HZ LYS 28 -3.107 -8.113 5.235 241 3HZ LYS 28 3HZ LYS 28 -3.230 -7.981 6.917 242 H LYS 29 H LYS 29 3.636 -6.750 5.576 243 HA LYS 29 HA LYS 29 6.040 -8.433 5.862 244 1HB LYS 29 1HB LYS 29 7.092 -6.402 6.941 245 2HB LYS 29 2HB LYS 29 6.809 -6.288 5.210 246 1HG LYS 29 1HG LYS 29 4.640 -5.262 6.919 247 2HG LYS 29 2HG LYS 29 6.160 -4.368 6.984 248 1HD LYS 29 1HD LYS 29 5.235 -5.104 4.283 249 2HD LYS 29 2HD LYS 29 4.220 -3.944 5.142 250 1HE LYS 29 1HE LYS 29 5.689 -2.509 4.141 251 2HE LYS 29 2HE LYS 29 6.542 -2.807 5.655 252 1HZ LYS 29 1HZ LYS 29 7.989 -2.971 3.698 253 2HZ LYS 29 2HZ LYS 29 7.056 -4.253 3.111 254 3HZ LYS 29 3HZ LYS 29 7.918 -4.428 4.556 Start of MODEL 36 1 H TYR 1 H TYR 1 -7.280 14.666 6.104 2 HA TYR 1 HA TYR 1 -7.236 12.320 5.316 3 1HB TYR 1 1HB TYR 1 -10.192 12.855 4.945 4 2HB TYR 1 2HB TYR 1 -9.322 11.379 4.548 5 HD1 TYR 1 HD1 TYR 1 -11.716 12.375 6.610 6 HD2 TYR 1 HD2 TYR 1 -7.776 10.795 6.923 7 HE1 TYR 1 HE1 TYR 1 -12.259 11.475 8.832 8 HE2 TYR 1 HE2 TYR 1 -8.311 9.888 9.145 9 HH TYR 1 HH TYR 1 -11.044 9.265 10.271 10 H LYS 2 H LYS 2 -5.949 13.357 3.830 11 HA LYS 2 HA LYS 2 -7.201 15.114 1.859 12 1HB LYS 2 1HB LYS 2 -4.891 15.442 3.122 13 2HB LYS 2 2HB LYS 2 -4.291 14.467 1.788 14 1HG LYS 2 1HG LYS 2 -4.235 16.257 0.493 15 2HG LYS 2 2HG LYS 2 -5.971 16.484 0.710 16 1HD LYS 2 1HD LYS 2 -5.112 18.492 1.482 17 2HD LYS 2 2HD LYS 2 -5.288 17.563 2.973 18 1HE LYS 2 1HE LYS 2 -2.777 16.862 2.192 19 2HE LYS 2 2HE LYS 2 -2.868 18.524 1.611 20 1HZ LYS 2 1HZ LYS 2 -2.004 18.448 3.852 21 2HZ LYS 2 2HZ LYS 2 -3.374 17.620 4.396 22 3HZ LYS 2 3HZ LYS 2 -3.512 19.214 3.849 23 H PHE 3 H PHE 3 -5.018 12.279 1.835 24 HA PHE 3 HA PHE 3 -5.829 11.729 -0.924 25 1HB PHE 3 1HB PHE 3 -3.443 11.170 0.725 26 2HB PHE 3 2HB PHE 3 -3.907 9.905 -0.397 27 HD1 PHE 3 HD1 PHE 3 -2.420 13.158 -0.010 28 HD2 PHE 3 HD2 PHE 3 -4.033 10.418 -2.839 29 HE1 PHE 3 HE1 PHE 3 -1.307 14.384 -1.827 30 HE2 PHE 3 HE2 PHE 3 -2.921 11.640 -4.662 31 HZ PHE 3 HZ PHE 3 -1.555 13.626 -4.157 32 H ALA 4 H ALA 4 -5.742 9.235 -1.398 33 HA ALA 4 HA ALA 4 -6.833 7.537 0.655 34 1HB ALA 4 1HB ALA 4 -8.588 8.335 -1.665 35 2HB ALA 4 2HB ALA 4 -8.834 8.778 0.024 36 3HB ALA 4 3HB ALA 4 -8.960 7.091 -0.473 37 H CYS 5 H CYS 5 -6.736 5.343 0.116 38 HA CYS 5 HA CYS 5 -4.933 4.678 -2.008 39 1HB CYS 5 1HB CYS 5 -5.169 3.517 0.287 40 2HB CYS 5 2HB CYS 5 -6.520 2.661 -0.438 41 HG CYS 5 HG CYS 5 -3.909 1.606 -0.617 42 HA PRO 6 HA PRO 6 -7.974 3.861 -5.143 43 1HB PRO 6 1HB PRO 6 -6.408 2.568 -6.916 44 2HB PRO 6 2HB PRO 6 -6.264 4.306 -6.626 45 1HG PRO 6 1HG PRO 6 -4.588 2.064 -5.570 46 2HG PRO 6 2HG PRO 6 -4.081 3.648 -6.186 47 1HD PRO 6 1HD PRO 6 -4.297 3.059 -3.527 48 2HD PRO 6 2HD PRO 6 -4.499 4.694 -4.189 49 H GLU 7 H GLU 7 -6.258 1.393 -3.415 50 HA GLU 7 HA GLU 7 -7.946 -0.723 -4.543 51 1HB GLU 7 1HB GLU 7 -5.331 -0.828 -4.216 52 2HB GLU 7 2HB GLU 7 -5.765 -1.252 -2.566 53 1HG GLU 7 1HG GLU 7 -7.132 -2.733 -4.730 54 2HG GLU 7 2HG GLU 7 -5.415 -3.058 -4.493 55 H CYS 8 H CYS 8 -6.859 0.529 -1.375 56 HA CYS 8 HA CYS 8 -9.217 -0.739 -0.146 57 1HB CYS 8 1HB CYS 8 -8.036 -0.701 1.944 58 2HB CYS 8 2HB CYS 8 -6.977 -1.393 0.727 59 HG CYS 8 HG CYS 8 -6.619 1.549 1.661 60 HA PRO 9 HA PRO 9 -10.778 3.225 1.011 61 1HB PRO 9 1HB PRO 9 -12.202 2.661 3.196 62 2HB PRO 9 2HB PRO 9 -12.580 1.920 1.637 63 1HG PRO 9 1HG PRO 9 -11.218 0.749 4.008 64 2HG PRO 9 2HG PRO 9 -12.290 -0.025 2.830 65 1HD PRO 9 1HD PRO 9 -9.464 -0.097 2.851 66 2HD PRO 9 2HD PRO 9 -10.527 -0.648 1.545 67 H LYS 10 H LYS 10 -8.030 3.123 1.896 68 HA LYS 10 HA LYS 10 -8.083 4.168 4.615 69 1HB LYS 10 1HB LYS 10 -5.750 3.675 2.754 70 2HB LYS 10 2HB LYS 10 -5.616 4.270 4.386 71 1HG LYS 10 1HG LYS 10 -7.160 1.831 4.276 72 2HG LYS 10 2HG LYS 10 -5.546 1.633 3.591 73 1HD LYS 10 1HD LYS 10 -5.484 3.170 6.045 74 2HD LYS 10 2HD LYS 10 -6.231 1.589 6.285 75 1HE LYS 10 1HE LYS 10 -4.316 0.447 5.611 76 2HE LYS 10 2HE LYS 10 -3.655 1.854 4.780 77 1HZ LYS 10 1HZ LYS 10 -3.324 2.899 6.957 78 2HZ LYS 10 2HZ LYS 10 -2.460 1.452 6.816 79 3HZ LYS 10 3HZ LYS 10 -3.888 1.499 7.720 80 H ARG 11 H ARG 11 -6.998 6.209 5.106 81 HA ARG 11 HA ARG 11 -6.803 8.156 2.955 82 1HB ARG 11 1HB ARG 11 -8.289 9.761 4.261 83 2HB ARG 11 2HB ARG 11 -9.101 8.464 3.398 84 1HG ARG 11 1HG ARG 11 -8.399 7.862 6.189 85 2HG ARG 11 2HG ARG 11 -9.593 9.139 5.964 86 1HD ARG 11 1HD ARG 11 -11.147 7.587 5.656 87 2HD ARG 11 2HD ARG 11 -10.303 7.069 4.198 88 HE ARG 11 HE ARG 11 -9.631 5.205 5.315 89 1HH1 ARG 11 1HH1 ARG 11 -10.536 7.609 7.699 90 2HH1 ARG 11 2HH1 ARG 11 -10.320 6.535 9.038 91 1HH2 ARG 11 1HH2 ARG 11 -9.349 3.800 7.084 92 2HH2 ARG 11 2HH2 ARG 11 -9.647 4.373 8.691 93 H PHE 12 H PHE 12 -5.186 9.561 3.321 94 HA PHE 12 HA PHE 12 -4.289 9.988 6.087 95 1HB PHE 12 1HB PHE 12 -2.354 9.506 3.856 96 2HB PHE 12 2HB PHE 12 -2.009 9.568 5.569 97 HD1 PHE 12 HD1 PHE 12 -4.269 7.636 3.307 98 HD2 PHE 12 HD2 PHE 12 -1.475 7.539 6.513 99 HE1 PHE 12 HE1 PHE 12 -4.465 5.203 3.391 100 HE2 PHE 12 HE2 PHE 12 -1.673 5.085 6.604 101 HZ PHE 12 HZ PHE 12 -3.170 3.914 5.026 102 H MET 13 H MET 13 -3.110 11.906 6.460 103 HA MET 13 HA MET 13 -3.840 14.070 4.680 104 1HB MET 13 1HB MET 13 -2.445 14.000 7.357 105 2HB MET 13 2HB MET 13 -2.729 15.485 6.461 106 1HG MET 13 1HG MET 13 -5.206 14.687 6.465 107 2HG MET 13 2HG MET 13 -4.683 13.688 7.818 108 1HE MET 13 1HE MET 13 -3.772 14.421 9.911 109 2HE MET 13 2HE MET 13 -3.927 16.022 10.633 110 3HE MET 13 3HE MET 13 -2.598 15.679 9.527 111 H ARG 14 H ARG 14 -1.084 12.089 5.275 112 HA ARG 14 HA ARG 14 0.728 13.964 3.936 113 1HB ARG 14 1HB ARG 14 1.348 11.324 5.277 114 2HB ARG 14 2HB ARG 14 2.522 12.481 4.671 115 1HG ARG 14 1HG ARG 14 2.563 13.014 6.880 116 2HG ARG 14 2HG ARG 14 1.279 14.100 6.343 117 1HD ARG 14 1HD ARG 14 -0.110 13.150 7.792 118 2HD ARG 14 2HD ARG 14 0.072 11.616 6.936 119 HE ARG 14 HE ARG 14 2.181 12.187 8.820 120 1HH1 ARG 14 1HH1 ARG 14 -0.978 10.737 8.381 121 2HH1 ARG 14 2HH1 ARG 14 -0.822 9.689 9.749 122 1HH2 ARG 14 1HH2 ARG 14 2.381 10.803 10.620 123 2HH2 ARG 14 2HH2 ARG 14 1.085 9.726 11.022 124 H SER 15 H SER 15 2.106 13.176 2.203 125 HA SER 15 HA SER 15 0.643 11.365 0.441 126 1HB SER 15 1HB SER 15 1.107 13.007 -0.968 127 2HB SER 15 2HB SER 15 2.377 13.675 0.054 128 HG SER 15 HG SER 15 3.831 12.606 -1.057 129 H ASP 16 H ASP 16 3.952 11.828 1.684 130 HA ASP 16 HA ASP 16 4.994 9.464 0.512 131 1HB ASP 16 1HB ASP 16 6.143 11.621 1.640 132 2HB ASP 16 2HB ASP 16 6.265 10.486 2.979 133 H HIS 17 H HIS 17 3.913 10.205 3.830 134 HA HIS 17 HA HIS 17 4.416 7.656 4.909 135 1HB HIS 17 1HB HIS 17 2.627 9.932 5.687 136 2HB HIS 17 2HB HIS 17 2.487 8.390 6.521 137 HD1 HIS 17 HD1 HIS 17 3.258 10.064 8.558 138 HD2 HIS 17 HD2 HIS 17 6.134 9.020 5.747 139 HE1 HIS 17 HE1 HIS 17 5.466 10.574 9.636 140 HE2 HIS 17 HE2 HIS 17 7.195 9.849 7.956 141 H LEU 18 H LEU 18 1.533 9.013 3.342 142 HA LEU 18 HA LEU 18 -0.204 6.861 3.766 143 1HB LEU 18 1HB LEU 18 -0.866 9.072 2.914 144 2HB LEU 18 2HB LEU 18 -0.066 8.729 1.402 145 HG LEU 18 HG LEU 18 -2.271 6.969 2.404 146 1HD1 LEU 18 1HD1 LEU 18 -3.395 8.989 2.440 147 2HD1 LEU 18 2HD1 LEU 18 -3.685 8.415 0.799 148 3HD1 LEU 18 3HD1 LEU 18 -2.457 9.645 1.101 149 1HD2 LEU 18 1HD2 LEU 18 -1.616 5.875 0.579 150 2HD2 LEU 18 2HD2 LEU 18 -0.693 7.251 -0.030 151 3HD2 LEU 18 3HD2 LEU 18 -2.431 7.161 -0.314 152 H THR 19 H THR 19 2.022 7.555 1.077 153 HA THR 19 HA THR 19 1.396 5.306 -0.448 154 HB THR 19 HB THR 19 4.023 6.802 -0.289 155 HG1 THR 19 HG1 THR 19 1.765 7.129 -1.976 156 1HG2 THR 19 1HG2 THR 19 2.979 4.899 -2.364 157 2HG2 THR 19 2HG2 THR 19 4.483 4.795 -1.449 158 3HG2 THR 19 3HG2 THR 19 4.276 6.054 -2.666 159 H LEU 20 H LEU 20 3.518 5.730 2.319 160 HA LEU 20 HA LEU 20 5.002 3.359 2.139 161 1HB LEU 20 1HB LEU 20 5.364 5.277 3.743 162 2HB LEU 20 2HB LEU 20 4.034 4.647 4.693 163 HG LEU 20 HG LEU 20 5.795 2.482 4.302 164 1HD1 LEU 20 1HD1 LEU 20 7.263 4.967 5.177 165 2HD1 LEU 20 2HD1 LEU 20 7.515 4.101 3.660 166 3HD1 LEU 20 3HD1 LEU 20 7.893 3.319 5.196 167 1HD2 LEU 20 1HD2 LEU 20 6.049 2.623 6.724 168 2HD2 LEU 20 2HD2 LEU 20 4.369 2.873 6.247 169 3HD2 LEU 20 3HD2 LEU 20 5.369 4.251 6.709 170 H HIS 21 H HIS 21 1.783 4.034 3.411 171 HA HIS 21 HA HIS 21 1.241 1.567 4.614 172 1HB HIS 21 1HB HIS 21 -0.707 2.590 5.065 173 2HB HIS 21 2HB HIS 21 -0.129 3.978 4.184 174 HD1 HIS 21 HD1 HIS 21 -1.974 4.771 2.705 175 HD2 HIS 21 HD2 HIS 21 -1.742 0.644 2.790 176 HE1 HIS 21 HE1 HIS 21 -3.803 3.908 1.197 177 H ILE 22 H ILE 22 0.489 2.768 1.381 178 HA ILE 22 HA ILE 22 -0.854 0.579 0.392 179 HB ILE 22 HB ILE 22 0.927 2.324 -1.302 180 1HG1 ILE 22 1HG1 ILE 22 -1.951 2.941 -0.851 181 2HG1 ILE 22 2HG1 ILE 22 -0.834 3.377 0.424 182 1HG2 ILE 22 1HG2 ILE 22 -0.373 0.200 -2.153 183 2HG2 ILE 22 2HG2 ILE 22 -0.365 1.687 -3.098 184 3HG2 ILE 22 3HG2 ILE 22 -1.757 1.293 -2.086 185 1HD1 ILE 22 1HD1 ILE 22 -0.459 5.241 -0.675 186 2HD1 ILE 22 2HD1 ILE 22 -1.372 4.672 -2.069 187 3HD1 ILE 22 3HD1 ILE 22 0.343 4.289 -1.920 188 H LEU 23 H LEU 23 2.507 0.772 1.095 189 HA LEU 23 HA LEU 23 3.582 -1.058 -0.710 190 1HB LEU 23 1HB LEU 23 4.653 0.365 1.236 191 2HB LEU 23 2HB LEU 23 4.437 -1.126 2.124 192 HG LEU 23 HG LEU 23 5.649 -2.008 -0.174 193 1HD1 LEU 23 1HD1 LEU 23 6.062 0.266 -0.933 194 2HD1 LEU 23 2HD1 LEU 23 7.575 -0.544 -0.528 195 3HD1 LEU 23 3HD1 LEU 23 6.883 0.638 0.584 196 1HD2 LEU 23 1HD2 LEU 23 7.589 -2.356 1.216 197 2HD2 LEU 23 2HD2 LEU 23 6.132 -2.647 2.166 198 3HD2 LEU 23 3HD2 LEU 23 7.028 -1.140 2.364 199 H LEU 24 H LEU 24 1.466 -1.535 2.020 200 HA LEU 24 HA LEU 24 1.891 -4.212 2.638 201 1HB LEU 24 1HB LEU 24 -0.816 -2.879 2.526 202 2HB LEU 24 2HB LEU 24 -0.361 -4.259 3.503 203 HG LEU 24 HG LEU 24 1.165 -1.771 3.993 204 1HD1 LEU 24 1HD1 LEU 24 -1.270 -1.086 3.625 205 2HD1 LEU 24 2HD1 LEU 24 -0.526 -0.631 5.157 206 3HD1 LEU 24 3HD1 LEU 24 -1.624 -2.008 5.088 207 1HD2 LEU 24 1HD2 LEU 24 1.531 -3.833 5.270 208 2HD2 LEU 24 2HD2 LEU 24 -0.150 -3.791 5.806 209 3HD2 LEU 24 3HD2 LEU 24 0.964 -2.515 6.297 210 H HIS 25 H HIS 25 -0.275 -2.796 0.204 211 HA HIS 25 HA HIS 25 -1.371 -5.188 -0.762 212 1HB HIS 25 1HB HIS 25 -0.936 -2.665 -2.371 213 2HB HIS 25 2HB HIS 25 -2.155 -3.905 -2.644 214 HD1 HIS 25 HD1 HIS 25 -3.754 -4.169 -0.257 215 HD2 HIS 25 HD2 HIS 25 -2.009 -0.518 -1.198 216 HE1 HIS 25 HE1 HIS 25 -5.050 -2.410 1.017 217 H GLU 26 H GLU 26 1.523 -3.401 -1.775 218 HA GLU 26 HA GLU 26 2.096 -5.121 -3.989 219 1HB GLU 26 1HB GLU 26 3.745 -3.072 -2.506 220 2HB GLU 26 2HB GLU 26 4.373 -3.992 -3.866 221 1HG GLU 26 1HG GLU 26 3.687 -2.094 -4.924 222 2HG GLU 26 2HG GLU 26 2.237 -3.083 -5.075 223 H ASN 27 H ASN 27 3.808 -4.642 -0.891 224 HA ASN 27 HA ASN 27 4.212 -7.498 -0.618 225 1HB ASN 27 1HB ASN 27 6.173 -6.088 -1.936 226 2HB ASN 27 2HB ASN 27 6.752 -6.064 -0.273 227 1HD2 ASN 27 1HD2 ASN 27 6.450 -7.876 -3.113 228 2HD2 ASN 27 2HD2 ASN 27 7.038 -9.382 -2.502 229 H LYS 28 H LYS 28 3.454 -7.760 1.387 230 HA LYS 28 HA LYS 28 4.279 -5.838 3.465 231 1HB LYS 28 1HB LYS 28 2.278 -6.432 4.692 232 2HB LYS 28 2HB LYS 28 1.844 -5.946 3.061 233 1HG LYS 28 1HG LYS 28 1.485 -8.219 2.406 234 2HG LYS 28 2HG LYS 28 2.119 -8.809 3.943 235 1HD LYS 28 1HD LYS 28 -0.298 -7.024 3.738 236 2HD LYS 28 2HD LYS 28 -0.399 -8.785 3.720 237 1HE LYS 28 1HE LYS 28 0.868 -7.164 5.925 238 2HE LYS 28 2HE LYS 28 -0.784 -7.778 5.960 239 1HZ LYS 28 1HZ LYS 28 0.246 -10.045 5.630 240 2HZ LYS 28 2HZ LYS 28 0.506 -9.324 7.137 241 3HZ LYS 28 3HZ LYS 28 1.739 -9.329 5.981 242 H LYS 29 H LYS 29 4.807 -6.639 5.559 243 HA LYS 29 HA LYS 29 6.216 -9.173 5.458 244 1HB LYS 29 1HB LYS 29 7.125 -8.522 7.644 245 2HB LYS 29 2HB LYS 29 7.339 -7.251 6.450 246 1HG LYS 29 1HG LYS 29 6.510 -5.879 7.992 247 2HG LYS 29 2HG LYS 29 4.939 -6.589 7.614 248 1HD LYS 29 1HD LYS 29 5.034 -6.830 9.911 249 2HD LYS 29 2HD LYS 29 5.635 -8.394 9.356 250 1HE LYS 29 1HE LYS 29 7.873 -7.810 9.818 251 2HE LYS 29 2HE LYS 29 7.473 -6.102 9.991 252 1HZ LYS 29 1HZ LYS 29 7.853 -7.187 12.130 253 2HZ LYS 29 2HZ LYS 29 6.579 -8.258 11.829 254 3HZ LYS 29 3HZ LYS 29 6.269 -6.604 12.008 Start of MODEL 37 1 H TYR 1 H TYR 1 -7.908 16.593 2.763 2 HA TYR 1 HA TYR 1 -6.398 14.284 3.739 3 1HB TYR 1 1HB TYR 1 -8.489 13.394 4.671 4 2HB TYR 1 2HB TYR 1 -8.026 14.886 5.479 5 HD1 TYR 1 HD1 TYR 1 -10.617 13.167 3.715 6 HD2 TYR 1 HD2 TYR 1 -9.208 17.045 4.757 7 HE1 TYR 1 HE1 TYR 1 -12.847 14.094 3.261 8 HE2 TYR 1 HE2 TYR 1 -11.435 17.981 4.303 9 HH TYR 1 HH TYR 1 -13.595 16.836 2.567 10 H LYS 2 H LYS 2 -6.446 15.233 1.117 11 HA LYS 2 HA LYS 2 -8.520 13.766 -0.305 12 1HB LYS 2 1HB LYS 2 -7.330 16.114 -0.861 13 2HB LYS 2 2HB LYS 2 -6.294 15.042 -1.793 14 1HG LYS 2 1HG LYS 2 -7.840 14.749 -3.369 15 2HG LYS 2 2HG LYS 2 -9.122 14.489 -2.185 16 1HD LYS 2 1HD LYS 2 -9.798 16.432 -3.265 17 2HD LYS 2 2HD LYS 2 -8.988 17.046 -1.824 18 1HE LYS 2 1HE LYS 2 -6.886 17.119 -3.335 19 2HE LYS 2 2HE LYS 2 -8.039 17.025 -4.665 20 1HZ LYS 2 1HZ LYS 2 -9.121 19.016 -3.815 21 2HZ LYS 2 2HZ LYS 2 -7.488 19.313 -4.141 22 3HZ LYS 2 3HZ LYS 2 -8.006 19.106 -2.545 23 H PHE 3 H PHE 3 -5.945 12.648 1.199 24 HA PHE 3 HA PHE 3 -4.748 11.114 -0.943 25 1HB PHE 3 1HB PHE 3 -4.151 10.783 1.984 26 2HB PHE 3 2HB PHE 3 -3.112 10.505 0.613 27 HD1 PHE 3 HD1 PHE 3 -1.824 12.256 -0.374 28 HD2 PHE 3 HD2 PHE 3 -4.574 13.086 2.766 29 HE1 PHE 3 HE1 PHE 3 -0.835 14.492 -0.101 30 HE2 PHE 3 HE2 PHE 3 -3.590 15.323 3.043 31 HZ PHE 3 HZ PHE 3 -1.718 16.029 1.608 32 H ALA 4 H ALA 4 -5.564 9.213 -1.552 33 HA ALA 4 HA ALA 4 -6.709 7.418 0.444 34 1HB ALA 4 1HB ALA 4 -8.225 8.219 -2.037 35 2HB ALA 4 2HB ALA 4 -8.613 8.714 -0.390 36 3HB ALA 4 3HB ALA 4 -8.729 7.015 -0.851 37 H CYS 5 H CYS 5 -6.741 5.228 -0.161 38 HA CYS 5 HA CYS 5 -4.756 4.535 -2.150 39 1HB CYS 5 1HB CYS 5 -4.936 3.459 0.145 40 2HB CYS 5 2HB CYS 5 -6.372 2.638 -0.445 41 HG CYS 5 HG CYS 5 -3.669 2.165 -1.883 42 HA PRO 6 HA PRO 6 -7.709 3.684 -5.360 43 1HB PRO 6 1HB PRO 6 -6.150 2.135 -6.958 44 2HB PRO 6 2HB PRO 6 -5.973 3.891 -6.846 45 1HG PRO 6 1HG PRO 6 -4.388 1.737 -5.499 46 2HG PRO 6 2HG PRO 6 -3.819 3.227 -6.277 47 1HD PRO 6 1HD PRO 6 -4.074 2.996 -3.595 48 2HD PRO 6 2HD PRO 6 -4.337 4.531 -4.448 49 H GLU 7 H GLU 7 -6.248 1.233 -3.394 50 HA GLU 7 HA GLU 7 -8.074 -0.810 -4.444 51 1HB GLU 7 1HB GLU 7 -5.581 -1.265 -4.276 52 2HB GLU 7 2HB GLU 7 -5.784 -1.244 -2.530 53 1HG GLU 7 1HG GLU 7 -7.733 -2.982 -3.703 54 2HG GLU 7 2HG GLU 7 -6.124 -3.403 -4.289 55 H CYS 8 H CYS 8 -6.959 0.629 -1.372 56 HA CYS 8 HA CYS 8 -9.421 -0.393 -0.110 57 1HB CYS 8 1HB CYS 8 -8.238 -0.444 2.002 58 2HB CYS 8 2HB CYS 8 -7.336 -1.353 0.802 59 HG CYS 8 HG CYS 8 -5.542 0.033 1.867 60 HA PRO 9 HA PRO 9 -10.417 3.776 0.986 61 1HB PRO 9 1HB PRO 9 -12.101 3.392 3.005 62 2HB PRO 9 2HB PRO 9 -12.431 2.701 1.412 63 1HG PRO 9 1HG PRO 9 -11.436 1.370 3.885 64 2HG PRO 9 2HG PRO 9 -12.510 0.741 2.624 65 1HD PRO 9 1HD PRO 9 -9.722 0.297 2.856 66 2HD PRO 9 2HD PRO 9 -10.753 -0.121 1.476 67 H LYS 10 H LYS 10 -7.812 3.490 1.983 68 HA LYS 10 HA LYS 10 -7.934 4.316 4.783 69 1HB LYS 10 1HB LYS 10 -5.424 3.948 3.156 70 2HB LYS 10 2HB LYS 10 -5.586 3.986 4.885 71 1HG LYS 10 1HG LYS 10 -7.135 1.866 3.606 72 2HG LYS 10 2HG LYS 10 -5.387 1.732 3.406 73 1HD LYS 10 1HD LYS 10 -5.807 0.564 5.380 74 2HD LYS 10 2HD LYS 10 -5.270 2.148 5.940 75 1HE LYS 10 1HE LYS 10 -7.860 2.663 5.855 76 2HE LYS 10 2HE LYS 10 -7.978 0.912 6.022 77 1HZ LYS 10 1HZ LYS 10 -6.661 1.037 8.032 78 2HZ LYS 10 2HZ LYS 10 -8.015 2.040 8.167 79 3HZ LYS 10 3HZ LYS 10 -6.494 2.714 7.861 80 H ARG 11 H ARG 11 -7.106 6.261 5.523 81 HA ARG 11 HA ARG 11 -6.517 8.327 3.519 82 1HB ARG 11 1HB ARG 11 -8.300 8.714 5.922 83 2HB ARG 11 2HB ARG 11 -7.868 9.936 4.745 84 1HG ARG 11 1HG ARG 11 -9.920 9.372 3.956 85 2HG ARG 11 2HG ARG 11 -8.941 8.207 3.065 86 1HD ARG 11 1HD ARG 11 -9.592 6.437 4.411 87 2HD ARG 11 2HD ARG 11 -10.045 7.489 5.749 88 HE ARG 11 HE ARG 11 -12.134 7.685 4.844 89 1HH1 ARG 11 1HH1 ARG 11 -9.988 6.414 2.383 90 2HH1 ARG 11 2HH1 ARG 11 -11.268 6.088 1.265 91 1HH2 ARG 11 1HH2 ARG 11 -13.811 7.255 3.366 92 2HH2 ARG 11 2HH2 ARG 11 -13.439 6.565 1.822 93 H PHE 12 H PHE 12 -4.887 9.699 4.046 94 HA PHE 12 HA PHE 12 -3.820 9.608 6.782 95 1HB PHE 12 1HB PHE 12 -2.151 9.354 4.302 96 2HB PHE 12 2HB PHE 12 -1.542 9.373 5.940 97 HD1 PHE 12 HD1 PHE 12 -4.136 7.510 4.019 98 HD2 PHE 12 HD2 PHE 12 -0.874 7.307 6.736 99 HE1 PHE 12 HE1 PHE 12 -4.353 5.082 4.077 100 HE2 PHE 12 HE2 PHE 12 -1.091 4.852 6.800 101 HZ PHE 12 HZ PHE 12 -2.842 3.740 5.454 102 H MET 13 H MET 13 -2.595 11.431 7.428 103 HA MET 13 HA MET 13 -3.478 13.891 6.295 104 1HB MET 13 1HB MET 13 -1.466 13.226 8.440 105 2HB MET 13 2HB MET 13 -1.796 14.879 7.943 106 1HG MET 13 1HG MET 13 -4.246 14.341 8.454 107 2HG MET 13 2HG MET 13 -3.616 12.933 9.307 108 1HE MET 13 1HE MET 13 -3.625 17.266 10.629 109 2HE MET 13 2HE MET 13 -4.446 16.513 9.262 110 3HE MET 13 3HE MET 13 -2.739 16.938 9.141 111 H ARG 14 H ARG 14 -0.496 12.021 6.098 112 HA ARG 14 HA ARG 14 0.723 14.074 4.397 113 1HB ARG 14 1HB ARG 14 1.831 11.660 5.818 114 2HB ARG 14 2HB ARG 14 2.754 12.527 4.602 115 1HG ARG 14 1HG ARG 14 3.503 13.757 6.300 116 2HG ARG 14 2HG ARG 14 1.926 14.548 6.249 117 1HD ARG 14 1HD ARG 14 1.667 13.899 8.367 118 2HD ARG 14 2HD ARG 14 1.466 12.262 7.736 119 HE ARG 14 HE ARG 14 3.618 11.747 8.421 120 1HH1 ARG 14 1HH1 ARG 14 2.987 15.154 8.933 121 2HH1 ARG 14 2HH1 ARG 14 4.375 15.383 9.941 122 1HH2 ARG 14 1HH2 ARG 14 5.445 12.057 9.746 123 2HH2 ARG 14 2HH2 ARG 14 5.771 13.627 10.401 124 H SER 15 H SER 15 1.840 13.379 2.432 125 HA SER 15 HA SER 15 0.190 11.530 0.915 126 1HB SER 15 1HB SER 15 0.521 13.046 -0.651 127 2HB SER 15 2HB SER 15 1.745 13.870 0.310 128 HG SER 15 HG SER 15 3.257 12.944 -0.841 129 H ASP 16 H ASP 16 3.625 11.952 1.740 130 HA ASP 16 HA ASP 16 4.549 9.627 0.434 131 1HB ASP 16 1HB ASP 16 5.736 11.742 1.751 132 2HB ASP 16 2HB ASP 16 6.076 10.379 2.811 133 H HIS 17 H HIS 17 3.564 10.227 3.794 134 HA HIS 17 HA HIS 17 4.184 7.695 4.828 135 1HB HIS 17 1HB HIS 17 2.495 9.974 5.657 136 2HB HIS 17 2HB HIS 17 2.051 8.415 6.335 137 HD1 HIS 17 HD1 HIS 17 2.783 9.240 8.679 138 HD2 HIS 17 HD2 HIS 17 5.836 9.142 5.865 139 HE1 HIS 17 HE1 HIS 17 4.906 9.506 9.983 140 HE2 HIS 17 HE2 HIS 17 6.750 9.316 8.279 141 H LEU 18 H LEU 18 1.146 8.932 3.426 142 HA LEU 18 HA LEU 18 -0.407 6.636 3.781 143 1HB LEU 18 1HB LEU 18 -1.202 8.886 3.019 144 2HB LEU 18 2HB LEU 18 -0.548 8.532 1.443 145 HG LEU 18 HG LEU 18 -2.509 6.628 2.634 146 1HD1 LEU 18 1HD1 LEU 18 -3.639 8.773 0.979 147 2HD1 LEU 18 2HD1 LEU 18 -3.182 9.234 2.619 148 3HD1 LEU 18 3HD1 LEU 18 -4.328 7.917 2.357 149 1HD2 LEU 18 1HD2 LEU 18 -2.186 5.721 0.646 150 2HD2 LEU 18 2HD2 LEU 18 -1.272 7.122 0.083 151 3HD2 LEU 18 3HD2 LEU 18 -3.031 7.109 -0.044 152 H THR 19 H THR 19 1.706 7.602 1.101 153 HA THR 19 HA THR 19 1.182 5.411 -0.550 154 HB THR 19 HB THR 19 3.748 7.006 -0.351 155 HG1 THR 19 HG1 THR 19 2.450 8.538 -0.974 156 1HG2 THR 19 1HG2 THR 19 2.644 5.293 -2.555 157 2HG2 THR 19 2HG2 THR 19 4.191 5.132 -1.723 158 3HG2 THR 19 3HG2 THR 19 3.905 6.501 -2.797 159 H LEU 20 H LEU 20 3.376 5.833 2.171 160 HA LEU 20 HA LEU 20 4.949 3.524 1.821 161 1HB LEU 20 1HB LEU 20 5.320 5.450 3.445 162 2HB LEU 20 2HB LEU 20 4.127 4.688 4.479 163 HG LEU 20 HG LEU 20 6.346 2.944 3.609 164 1HD1 LEU 20 1HD1 LEU 20 6.844 5.059 5.691 165 2HD1 LEU 20 2HD1 LEU 20 7.430 5.169 4.032 166 3HD1 LEU 20 3HD1 LEU 20 7.976 3.857 5.075 167 1HD2 LEU 20 1HD2 LEU 20 4.873 3.471 6.181 168 2HD2 LEU 20 2HD2 LEU 20 6.222 2.343 6.042 169 3HD2 LEU 20 3HD2 LEU 20 4.742 2.063 5.125 170 H HIS 21 H HIS 21 1.790 4.065 3.254 171 HA HIS 21 HA HIS 21 1.409 1.576 4.489 172 1HB HIS 21 1HB HIS 21 -0.514 2.568 5.090 173 2HB HIS 21 2HB HIS 21 -0.037 3.960 4.160 174 HD1 HIS 21 HD1 HIS 21 -2.079 4.706 2.922 175 HD2 HIS 21 HD2 HIS 21 -1.637 0.593 2.839 176 HE1 HIS 21 HE1 HIS 21 -3.993 3.794 1.550 177 H ILE 22 H ILE 22 0.436 2.777 1.325 178 HA ILE 22 HA ILE 22 -0.941 0.570 0.423 179 HB ILE 22 HB ILE 22 0.662 2.346 -1.409 180 1HG1 ILE 22 1HG1 ILE 22 -2.160 2.972 -0.713 181 2HG1 ILE 22 2HG1 ILE 22 -0.955 3.378 0.486 182 1HG2 ILE 22 1HG2 ILE 22 -2.039 1.078 -1.802 183 2HG2 ILE 22 2HG2 ILE 22 -0.532 0.315 -2.316 184 3HG2 ILE 22 3HG2 ILE 22 -1.024 1.856 -3.017 185 1HD1 ILE 22 1HD1 ILE 22 -0.731 5.279 -0.604 186 2HD1 ILE 22 2HD1 ILE 22 -1.626 4.676 -1.998 187 3HD1 ILE 22 3HD1 ILE 22 0.102 4.355 -1.854 188 H LEU 23 H LEU 23 2.440 0.741 0.938 189 HA LEU 23 HA LEU 23 3.362 -1.053 -1.023 190 1HB LEU 23 1HB LEU 23 4.333 -0.124 1.625 191 2HB LEU 23 2HB LEU 23 5.023 -1.612 1.008 192 HG LEU 23 HG LEU 23 5.084 0.294 -1.101 193 1HD1 LEU 23 1HD1 LEU 23 6.078 1.337 1.540 194 2HD1 LEU 23 2HD1 LEU 23 4.919 2.089 0.445 195 3HD1 LEU 23 3HD1 LEU 23 6.615 1.958 -0.020 196 1HD2 LEU 23 1HD2 LEU 23 7.274 -0.853 0.629 197 2HD2 LEU 23 2HD2 LEU 23 7.497 -0.073 -0.937 198 3HD2 LEU 23 3HD2 LEU 23 6.606 -1.590 -0.828 199 H LEU 24 H LEU 24 1.481 -1.537 1.864 200 HA LEU 24 HA LEU 24 2.000 -4.195 2.502 201 1HB LEU 24 1HB LEU 24 -0.723 -2.886 2.527 202 2HB LEU 24 2HB LEU 24 -0.223 -4.275 3.470 203 HG LEU 24 HG LEU 24 1.324 -1.783 3.896 204 1HD1 LEU 24 1HD1 LEU 24 -0.305 -0.673 5.173 205 2HD1 LEU 24 2HD1 LEU 24 -1.393 -2.060 5.153 206 3HD1 LEU 24 3HD1 LEU 24 -1.135 -1.121 3.682 207 1HD2 LEU 24 1HD2 LEU 24 0.139 -3.845 5.752 208 2HD2 LEU 24 2HD2 LEU 24 1.252 -2.555 6.205 209 3HD2 LEU 24 3HD2 LEU 24 1.789 -3.847 5.131 210 H HIS 25 H HIS 25 -0.352 -2.879 0.181 211 HA HIS 25 HA HIS 25 -1.423 -5.319 -0.691 212 1HB HIS 25 1HB HIS 25 -1.139 -2.861 -2.422 213 2HB HIS 25 2HB HIS 25 -2.378 -4.108 -2.512 214 HD1 HIS 25 HD1 HIS 25 -4.023 -4.160 -0.282 215 HD2 HIS 25 HD2 HIS 25 -1.839 -0.701 -0.998 216 HE1 HIS 25 HE1 HIS 25 -5.129 -2.327 1.068 217 H GLU 26 H GLU 26 1.485 -3.593 -1.649 218 HA GLU 26 HA GLU 26 1.990 -5.435 -3.848 219 1HB GLU 26 1HB GLU 26 3.525 -3.045 -2.814 220 2HB GLU 26 2HB GLU 26 4.054 -4.036 -4.167 221 1HG GLU 26 1HG GLU 26 1.449 -2.532 -4.064 222 2HG GLU 26 2HG GLU 26 2.920 -1.946 -4.839 223 H ASN 27 H ASN 27 1.877 -6.928 -1.652 224 HA ASN 27 HA ASN 27 4.668 -7.707 -1.223 225 1HB ASN 27 1HB ASN 27 3.475 -6.341 0.728 226 2HB ASN 27 2HB ASN 27 2.813 -7.928 1.106 227 1HD2 ASN 27 1HD2 ASN 27 5.400 -5.850 1.524 228 2HD2 ASN 27 2HD2 ASN 27 6.535 -6.978 2.177 229 H LYS 28 H LYS 28 3.310 -8.992 -3.059 230 HA LYS 28 HA LYS 28 1.922 -11.278 -1.895 231 1HB LYS 28 1HB LYS 28 2.307 -10.264 -4.697 232 2HB LYS 28 2HB LYS 28 1.749 -11.906 -4.410 233 1HG LYS 28 1HG LYS 28 -0.039 -10.772 -2.915 234 2HG LYS 28 2HG LYS 28 0.384 -9.316 -3.817 235 1HD LYS 28 1HD LYS 28 -0.187 -11.820 -5.330 236 2HD LYS 28 2HD LYS 28 -1.539 -10.924 -4.635 237 1HE LYS 28 1HE LYS 28 -0.530 -8.869 -5.770 238 2HE LYS 28 2HE LYS 28 0.463 -10.008 -6.679 239 1HZ LYS 28 1HZ LYS 28 -2.508 -9.941 -6.631 240 2HZ LYS 28 2HZ LYS 28 -1.570 -11.063 -7.481 241 3HZ LYS 28 3HZ LYS 28 -1.521 -9.428 -7.907 242 H LYS 29 H LYS 29 2.466 -13.472 -2.885 243 HA LYS 29 HA LYS 29 5.145 -14.120 -2.219 244 1HB LYS 29 1HB LYS 29 2.756 -15.526 -2.557 245 2HB LYS 29 2HB LYS 29 3.820 -16.164 -3.801 246 1HG LYS 29 1HG LYS 29 4.654 -15.937 -0.925 247 2HG LYS 29 2HG LYS 29 3.827 -17.356 -1.573 248 1HD LYS 29 1HD LYS 29 5.712 -17.273 -3.381 249 2HD LYS 29 2HD LYS 29 6.566 -16.315 -2.169 250 1HE LYS 29 1HE LYS 29 5.351 -18.999 -1.562 251 2HE LYS 29 2HE LYS 29 6.999 -18.816 -2.157 252 1HZ LYS 29 1HZ LYS 29 7.021 -18.952 0.221 253 2HZ LYS 29 2HZ LYS 29 5.892 -17.701 0.363 254 3HZ LYS 29 3HZ LYS 29 7.445 -17.376 -0.223 Start of MODEL 38 1 H TYR 1 H TYR 1 -9.677 14.242 5.952 2 HA TYR 1 HA TYR 1 -8.062 13.174 4.718 3 1HB TYR 1 1HB TYR 1 -10.658 12.901 3.184 4 2HB TYR 1 2HB TYR 1 -9.400 11.683 3.356 5 HD1 TYR 1 HD1 TYR 1 -12.571 12.249 4.289 6 HD2 TYR 1 HD2 TYR 1 -8.805 11.527 6.132 7 HE1 TYR 1 HE1 TYR 1 -13.718 11.360 6.273 8 HE2 TYR 1 HE2 TYR 1 -9.942 10.635 8.121 9 HH TYR 1 HH TYR 1 -12.681 11.155 9.062 10 H LYS 2 H LYS 2 -6.492 13.581 3.317 11 HA LYS 2 HA LYS 2 -6.992 15.397 1.084 12 1HB LYS 2 1HB LYS 2 -4.580 14.535 2.604 13 2HB LYS 2 2HB LYS 2 -4.359 15.036 0.933 14 1HG LYS 2 1HG LYS 2 -5.702 17.129 1.625 15 2HG LYS 2 2HG LYS 2 -5.311 16.636 3.273 16 1HD LYS 2 1HD LYS 2 -3.446 17.851 2.955 17 2HD LYS 2 2HD LYS 2 -2.881 16.434 2.068 18 1HE LYS 2 1HE LYS 2 -4.449 18.583 0.688 19 2HE LYS 2 2HE LYS 2 -2.716 18.767 0.956 20 1HZ LYS 2 1HZ LYS 2 -3.034 17.826 -1.185 21 2HZ LYS 2 2HZ LYS 2 -4.075 16.633 -0.594 22 3HZ LYS 2 3HZ LYS 2 -2.433 16.593 -0.194 23 H PHE 3 H PHE 3 -5.352 12.260 1.623 24 HA PHE 3 HA PHE 3 -5.696 11.678 -1.236 25 1HB PHE 3 1HB PHE 3 -3.640 11.019 0.770 26 2HB PHE 3 2HB PHE 3 -4.081 9.704 -0.301 27 HD1 PHE 3 HD1 PHE 3 -3.612 9.814 -2.674 28 HD2 PHE 3 HD2 PHE 3 -2.534 12.998 -0.063 29 HE1 PHE 3 HE1 PHE 3 -2.140 10.739 -4.415 30 HE2 PHE 3 HE2 PHE 3 -1.062 13.930 -1.801 31 HZ PHE 3 HZ PHE 3 -0.863 12.800 -3.980 32 H ALA 4 H ALA 4 -5.932 9.278 -1.710 33 HA ALA 4 HA ALA 4 -7.433 7.736 0.231 34 1HB ALA 4 1HB ALA 4 -8.739 8.486 -2.384 35 2HB ALA 4 2HB ALA 4 -9.138 9.207 -0.825 36 3HB ALA 4 3HB ALA 4 -9.423 7.489 -1.099 37 H CYS 5 H CYS 5 -6.803 5.671 0.037 38 HA CYS 5 HA CYS 5 -5.051 4.824 -2.004 39 1HB CYS 5 1HB CYS 5 -5.299 3.885 0.375 40 2HB CYS 5 2HB CYS 5 -6.622 2.930 -0.274 41 HG CYS 5 HG CYS 5 -3.800 2.630 -1.519 42 HA PRO 6 HA PRO 6 -7.991 3.633 -5.119 43 1HB PRO 6 1HB PRO 6 -6.294 2.412 -6.813 44 2HB PRO 6 2HB PRO 6 -6.290 4.164 -6.590 45 1HG PRO 6 1HG PRO 6 -4.467 2.103 -5.413 46 2HG PRO 6 2HG PRO 6 -4.067 3.689 -6.097 47 1HD PRO 6 1HD PRO 6 -4.289 3.212 -3.417 48 2HD PRO 6 2HD PRO 6 -4.597 4.795 -4.161 49 H GLU 7 H GLU 7 -6.037 1.400 -3.298 50 HA GLU 7 HA GLU 7 -7.505 -0.910 -4.330 51 1HB GLU 7 1HB GLU 7 -4.860 -0.605 -3.692 52 2HB GLU 7 2HB GLU 7 -5.491 -1.372 -2.241 53 1HG GLU 7 1HG GLU 7 -6.531 -2.719 -4.530 54 2HG GLU 7 2HG GLU 7 -4.783 -2.570 -4.691 55 H CYS 8 H CYS 8 -6.844 0.779 -1.258 56 HA CYS 8 HA CYS 8 -9.139 -0.668 -0.094 57 1HB CYS 8 1HB CYS 8 -8.062 -0.716 2.031 58 2HB CYS 8 2HB CYS 8 -6.905 -1.311 0.855 59 HG CYS 8 HG CYS 8 -6.545 1.644 1.491 60 HA PRO 9 HA PRO 9 -10.742 3.279 1.069 61 1HB PRO 9 1HB PRO 9 -12.228 2.689 3.206 62 2HB PRO 9 2HB PRO 9 -12.560 1.958 1.632 63 1HG PRO 9 1HG PRO 9 -11.251 0.778 4.032 64 2HG PRO 9 2HG PRO 9 -12.295 0.007 2.826 65 1HD PRO 9 1HD PRO 9 -9.474 -0.061 2.908 66 2HD PRO 9 2HD PRO 9 -10.501 -0.600 1.571 67 H LYS 10 H LYS 10 -8.033 3.212 1.982 68 HA LYS 10 HA LYS 10 -8.143 4.214 4.722 69 1HB LYS 10 1HB LYS 10 -5.759 3.666 2.940 70 2HB LYS 10 2HB LYS 10 -5.667 4.251 4.575 71 1HG LYS 10 1HG LYS 10 -7.196 1.762 4.153 72 2HG LYS 10 2HG LYS 10 -5.443 1.682 3.962 73 1HD LYS 10 1HD LYS 10 -5.737 3.139 6.275 74 2HD LYS 10 2HD LYS 10 -7.058 1.972 6.378 75 1HE LYS 10 1HE LYS 10 -5.662 0.237 6.688 76 2HE LYS 10 2HE LYS 10 -4.499 0.835 5.507 77 1HZ LYS 10 1HZ LYS 10 -3.655 2.377 7.152 78 2HZ LYS 10 2HZ LYS 10 -3.582 0.796 7.749 79 3HZ LYS 10 3HZ LYS 10 -4.795 1.846 8.285 80 H ARG 11 H ARG 11 -7.045 6.215 5.265 81 HA ARG 11 HA ARG 11 -6.781 8.189 3.131 82 1HB ARG 11 1HB ARG 11 -8.172 9.807 4.569 83 2HB ARG 11 2HB ARG 11 -9.036 8.612 3.613 84 1HG ARG 11 1HG ARG 11 -8.720 7.280 5.961 85 2HG ARG 11 2HG ARG 11 -8.871 8.946 6.519 86 1HD ARG 11 1HD ARG 11 -11.062 8.057 6.469 87 2HD ARG 11 2HD ARG 11 -10.926 9.126 5.075 88 HE ARG 11 HE ARG 11 -10.271 6.509 4.288 89 1HH1 ARG 11 1HH1 ARG 11 -13.049 8.380 5.308 90 2HH1 ARG 11 2HH1 ARG 11 -14.179 7.414 4.421 91 1HH2 ARG 11 1HH2 ARG 11 -11.765 5.242 3.119 92 2HH2 ARG 11 2HH2 ARG 11 -13.450 5.632 3.179 93 H PHE 12 H PHE 12 -5.110 9.534 3.491 94 HA PHE 12 HA PHE 12 -4.115 9.819 6.245 95 1HB PHE 12 1HB PHE 12 -2.331 9.394 3.876 96 2HB PHE 12 2HB PHE 12 -1.844 9.464 5.555 97 HD1 PHE 12 HD1 PHE 12 -4.261 7.536 3.465 98 HD2 PHE 12 HD2 PHE 12 -1.285 7.441 6.502 99 HE1 PHE 12 HE1 PHE 12 -4.474 5.107 3.582 100 HE2 PHE 12 HE2 PHE 12 -1.502 4.990 6.630 101 HZ PHE 12 HZ PHE 12 -3.100 3.821 5.153 102 H MET 13 H MET 13 -2.940 11.707 6.703 103 HA MET 13 HA MET 13 -3.743 13.992 5.136 104 1HB MET 13 1HB MET 13 -2.144 13.709 7.680 105 2HB MET 13 2HB MET 13 -2.467 15.261 6.919 106 1HG MET 13 1HG MET 13 -4.725 15.178 7.399 107 2HG MET 13 2HG MET 13 -4.723 13.427 7.593 108 1HE MET 13 1HE MET 13 -2.476 12.849 10.314 109 2HE MET 13 2HE MET 13 -3.698 12.195 9.224 110 3HE MET 13 3HE MET 13 -4.116 12.566 10.897 111 H ARG 14 H ARG 14 -0.869 12.055 5.534 112 HA ARG 14 HA ARG 14 0.751 13.996 4.046 113 1HB ARG 14 1HB ARG 14 1.488 11.475 5.532 114 2HB ARG 14 2HB ARG 14 2.635 12.405 4.584 115 1HG ARG 14 1HG ARG 14 1.164 13.300 7.053 116 2HG ARG 14 2HG ARG 14 2.887 12.952 6.902 117 1HD ARG 14 1HD ARG 14 2.945 15.225 6.716 118 2HD ARG 14 2HD ARG 14 2.726 14.800 5.015 119 HE ARG 14 HE ARG 14 0.198 15.068 6.112 120 1HH1 ARG 14 1HH1 ARG 14 2.982 17.111 5.545 121 2HH1 ARG 14 2HH1 ARG 14 2.043 18.555 5.374 122 1HH2 ARG 14 1HH2 ARG 14 -1.037 16.972 5.884 123 2HH2 ARG 14 2HH2 ARG 14 -0.240 18.477 5.567 124 H SER 15 H SER 15 2.018 13.279 2.225 125 HA SER 15 HA SER 15 0.534 11.412 0.558 126 1HB SER 15 1HB SER 15 0.932 13.105 -0.829 127 2HB SER 15 2HB SER 15 2.320 13.690 0.083 128 HG SER 15 HG SER 15 2.199 11.918 -2.050 129 H ASP 16 H ASP 16 3.853 11.879 1.753 130 HA ASP 16 HA ASP 16 4.867 9.508 0.542 131 1HB ASP 16 1HB ASP 16 6.894 9.923 1.778 132 2HB ASP 16 2HB ASP 16 6.287 11.456 1.172 133 H HIS 17 H HIS 17 3.607 10.271 3.762 134 HA HIS 17 HA HIS 17 4.266 7.790 4.963 135 1HB HIS 17 1HB HIS 17 2.127 9.816 5.635 136 2HB HIS 17 2HB HIS 17 2.491 8.409 6.623 137 HD1 HIS 17 HD1 HIS 17 2.878 10.643 8.289 138 HD2 HIS 17 HD2 HIS 17 5.798 9.715 5.481 139 HE1 HIS 17 HE1 HIS 17 4.964 11.800 9.081 140 HE2 HIS 17 HE2 HIS 17 6.742 11.140 7.423 141 H LEU 18 H LEU 18 1.359 8.981 3.315 142 HA LEU 18 HA LEU 18 -0.296 6.767 3.729 143 1HB LEU 18 1HB LEU 18 -0.945 8.989 2.786 144 2HB LEU 18 2HB LEU 18 -0.199 8.520 1.280 145 HG LEU 18 HG LEU 18 -2.344 6.810 2.458 146 1HD1 LEU 18 1HD1 LEU 18 -3.483 8.828 2.526 147 2HD1 LEU 18 2HD1 LEU 18 -3.889 8.193 0.933 148 3HD1 LEU 18 3HD1 LEU 18 -2.659 9.448 1.099 149 1HD2 LEU 18 1HD2 LEU 18 -1.795 5.688 0.618 150 2HD2 LEU 18 2HD2 LEU 18 -0.913 7.058 -0.063 151 3HD2 LEU 18 3HD2 LEU 18 -2.664 6.956 -0.253 152 H THR 19 H THR 19 1.961 7.501 1.081 153 HA THR 19 HA THR 19 1.462 5.208 -0.425 154 HB THR 19 HB THR 19 4.048 6.773 -0.231 155 HG1 THR 19 HG1 THR 19 1.765 7.117 -1.876 156 1HG2 THR 19 1HG2 THR 19 4.523 4.791 -1.431 157 2HG2 THR 19 2HG2 THR 19 4.313 6.077 -2.619 158 3HG2 THR 19 3HG2 THR 19 3.022 4.906 -2.348 159 H LEU 20 H LEU 20 3.497 5.749 2.390 160 HA LEU 20 HA LEU 20 5.093 3.447 2.283 161 1HB LEU 20 1HB LEU 20 5.375 5.332 3.888 162 2HB LEU 20 2HB LEU 20 3.943 4.790 4.739 163 HG LEU 20 HG LEU 20 6.155 4.168 5.776 164 1HD1 LEU 20 1HD1 LEU 20 3.792 2.920 5.874 165 2HD1 LEU 20 2HD1 LEU 20 5.214 2.371 6.762 166 3HD1 LEU 20 3HD1 LEU 20 4.785 1.612 5.230 167 1HD2 LEU 20 1HD2 LEU 20 7.585 2.653 4.829 168 2HD2 LEU 20 2HD2 LEU 20 7.019 3.496 3.387 169 3HD2 LEU 20 3HD2 LEU 20 6.331 1.931 3.821 170 H HIS 21 H HIS 21 1.844 3.997 3.544 171 HA HIS 21 HA HIS 21 1.346 1.503 4.685 172 1HB HIS 21 1HB HIS 21 -0.606 2.513 5.151 173 2HB HIS 21 2HB HIS 21 -0.086 3.892 4.222 174 HD1 HIS 21 HD1 HIS 21 -2.046 4.586 2.830 175 HD2 HIS 21 HD2 HIS 21 -1.560 0.480 2.877 176 HE1 HIS 21 HE1 HIS 21 -3.884 3.620 1.387 177 H ILE 22 H ILE 22 0.554 2.687 1.459 178 HA ILE 22 HA ILE 22 -0.719 0.449 0.489 179 HB ILE 22 HB ILE 22 0.958 2.240 -1.259 180 1HG1 ILE 22 1HG1 ILE 22 -1.907 2.824 -0.734 181 2HG1 ILE 22 2HG1 ILE 22 -0.782 3.257 0.530 182 1HG2 ILE 22 1HG2 ILE 22 -0.475 0.065 -1.957 183 2HG2 ILE 22 2HG2 ILE 22 -0.266 1.467 -3.004 184 3HG2 ILE 22 3HG2 ILE 22 -1.731 1.300 -2.032 185 1HD1 ILE 22 1HD1 ILE 22 -1.378 4.594 -1.913 186 2HD1 ILE 22 2HD1 ILE 22 0.338 4.194 -1.846 187 3HD1 ILE 22 3HD1 ILE 22 -0.402 5.129 -0.548 188 H LEU 23 H LEU 23 2.597 0.615 1.264 189 HA LEU 23 HA LEU 23 3.734 -1.076 -0.648 190 1HB LEU 23 1HB LEU 23 4.367 -0.294 2.129 191 2HB LEU 23 2HB LEU 23 5.057 -1.816 1.602 192 HG LEU 23 HG LEU 23 5.399 0.538 -0.186 193 1HD1 LEU 23 1HD1 LEU 23 7.486 1.108 1.118 194 2HD1 LEU 23 2HD1 LEU 23 6.798 0.177 2.450 195 3HD1 LEU 23 3HD1 LEU 23 5.956 1.603 1.843 196 1HD2 LEU 23 1HD2 LEU 23 6.200 -1.726 -0.777 197 2HD2 LEU 23 2HD2 LEU 23 7.255 -1.691 0.636 198 3HD2 LEU 23 3HD2 LEU 23 7.500 -0.538 -0.676 199 H LEU 24 H LEU 24 1.674 -1.766 2.134 200 HA LEU 24 HA LEU 24 2.080 -4.532 2.340 201 1HB LEU 24 1HB LEU 24 -0.313 -4.582 3.209 202 2HB LEU 24 2HB LEU 24 0.841 -3.591 4.076 203 HG LEU 24 HG LEU 24 -0.243 -1.779 2.333 204 1HD1 LEU 24 1HD1 LEU 24 -2.547 -3.450 3.292 205 2HD1 LEU 24 2HD1 LEU 24 -1.907 -3.526 1.650 206 3HD1 LEU 24 3HD1 LEU 24 -2.594 -2.018 2.260 207 1HD2 LEU 24 1HD2 LEU 24 -1.398 -2.386 5.039 208 2HD2 LEU 24 2HD2 LEU 24 -1.234 -0.819 4.248 209 3HD2 LEU 24 3HD2 LEU 24 0.200 -1.673 4.819 210 H HIS 25 H HIS 25 -0.040 -2.690 0.191 211 HA HIS 25 HA HIS 25 -1.484 -4.848 -0.884 212 1HB HIS 25 1HB HIS 25 -0.792 -2.154 -2.067 213 2HB HIS 25 2HB HIS 25 -1.916 -3.290 -2.807 214 HD1 HIS 25 HD1 HIS 25 -3.707 -4.127 -0.568 215 HD2 HIS 25 HD2 HIS 25 -2.271 -0.248 -0.929 216 HE1 HIS 25 HE1 HIS 25 -5.297 -2.658 0.737 217 H GLU 26 H GLU 26 1.628 -3.437 -1.789 218 HA GLU 26 HA GLU 26 2.039 -4.626 -4.256 219 1HB GLU 26 1HB GLU 26 3.529 -2.940 -3.153 220 2HB GLU 26 2HB GLU 26 4.152 -4.227 -2.130 221 1HG GLU 26 1HG GLU 26 5.663 -3.780 -3.963 222 2HG GLU 26 2HG GLU 26 4.984 -5.400 -4.100 223 H ASN 27 H ASN 27 2.626 -5.963 -1.024 224 HA ASN 27 HA ASN 27 3.299 -8.559 -2.219 225 1HB ASN 27 1HB ASN 27 4.122 -9.172 0.013 226 2HB ASN 27 2HB ASN 27 4.881 -7.689 -0.554 227 1HD2 ASN 27 1HD2 ASN 27 4.676 -5.867 0.624 228 2HD2 ASN 27 2HD2 ASN 27 3.762 -5.747 2.084 229 H LYS 28 H LYS 28 2.523 -10.446 -0.648 230 HA LYS 28 HA LYS 28 -0.336 -10.010 -0.078 231 1HB LYS 28 1HB LYS 28 1.007 -12.242 -1.570 232 2HB LYS 28 2HB LYS 28 -0.507 -12.534 -0.723 233 1HG LYS 28 1HG LYS 28 -1.150 -10.304 -2.095 234 2HG LYS 28 2HG LYS 28 0.021 -11.031 -3.196 235 1HD LYS 28 1HD LYS 28 -1.249 -13.097 -3.230 236 2HD LYS 28 2HD LYS 28 -2.384 -12.446 -2.044 237 1HE LYS 28 1HE LYS 28 -2.765 -10.569 -3.771 238 2HE LYS 28 2HE LYS 28 -2.001 -11.670 -4.916 239 1HZ LYS 28 1HZ LYS 28 -3.691 -13.329 -4.357 240 2HZ LYS 28 2HZ LYS 28 -4.387 -11.916 -4.972 241 3HZ LYS 28 3HZ LYS 28 -4.438 -12.229 -3.311 242 H LYS 29 H LYS 29 0.756 -9.553 2.070 243 HA LYS 29 HA LYS 29 1.504 -11.973 3.533 244 1HB LYS 29 1HB LYS 29 1.769 -9.035 4.071 245 2HB LYS 29 2HB LYS 29 1.860 -10.179 5.402 246 1HG LYS 29 1HG LYS 29 3.684 -11.352 4.148 247 2HG LYS 29 2HG LYS 29 3.667 -10.008 3.005 248 1HD LYS 29 1HD LYS 29 3.892 -9.385 5.906 249 2HD LYS 29 2HD LYS 29 5.305 -10.052 5.087 250 1HE LYS 29 1HE LYS 29 3.806 -7.725 3.935 251 2HE LYS 29 2HE LYS 29 5.021 -7.488 5.190 252 1HZ LYS 29 1HZ LYS 29 5.482 -8.799 2.563 253 2HZ LYS 29 2HZ LYS 29 6.648 -8.572 3.766 254 3HZ LYS 29 3HZ LYS 29 5.969 -7.235 2.985 Start of MODEL 39 1 H TYR 1 H TYR 1 -10.705 14.712 4.720 2 HA TYR 1 HA TYR 1 -8.531 12.744 4.569 3 1HB TYR 1 1HB TYR 1 -11.131 12.723 3.061 4 2HB TYR 1 2HB TYR 1 -10.123 11.367 3.551 5 HD1 TYR 1 HD1 TYR 1 -13.130 12.993 4.168 6 HD2 TYR 1 HD2 TYR 1 -9.890 11.165 6.233 7 HE1 TYR 1 HE1 TYR 1 -14.581 12.640 6.120 8 HE2 TYR 1 HE2 TYR 1 -11.333 10.805 8.191 9 HH TYR 1 HH TYR 1 -14.353 10.688 8.257 10 H LYS 2 H LYS 2 -6.946 13.539 3.303 11 HA LYS 2 HA LYS 2 -7.631 15.146 0.961 12 1HB LYS 2 1HB LYS 2 -5.794 15.791 2.599 13 2HB LYS 2 2HB LYS 2 -4.860 14.459 1.935 14 1HG LYS 2 1HG LYS 2 -4.136 15.792 0.327 15 2HG LYS 2 2HG LYS 2 -5.793 15.974 -0.253 16 1HD LYS 2 1HD LYS 2 -5.879 17.702 1.779 17 2HD LYS 2 2HD LYS 2 -4.151 17.785 1.427 18 1HE LYS 2 1HE LYS 2 -4.937 19.424 0.031 19 2HE LYS 2 2HE LYS 2 -4.991 18.031 -1.049 20 1HZ LYS 2 1HZ LYS 2 -7.030 19.314 -1.166 21 2HZ LYS 2 2HZ LYS 2 -7.288 19.118 0.493 22 3HZ LYS 2 3HZ LYS 2 -7.343 17.776 -0.535 23 H PHE 3 H PHE 3 -5.463 12.373 1.645 24 HA PHE 3 HA PHE 3 -5.648 11.596 -1.163 25 1HB PHE 3 1HB PHE 3 -3.731 11.090 1.056 26 2HB PHE 3 2HB PHE 3 -3.878 9.873 -0.195 27 HD1 PHE 3 HD1 PHE 3 -3.237 13.485 0.326 28 HD2 PHE 3 HD2 PHE 3 -2.739 10.108 -2.215 29 HE1 PHE 3 HE1 PHE 3 -1.724 14.792 -1.109 30 HE2 PHE 3 HE2 PHE 3 -1.226 11.409 -3.654 31 HZ PHE 3 HZ PHE 3 -0.716 13.754 -3.101 32 H ALA 4 H ALA 4 -5.705 9.203 -1.603 33 HA ALA 4 HA ALA 4 -7.065 7.535 0.323 34 1HB ALA 4 1HB ALA 4 -8.491 8.394 -2.193 35 2HB ALA 4 2HB ALA 4 -8.951 8.790 -0.537 36 3HB ALA 4 3HB ALA 4 -9.033 7.121 -1.099 37 H CYS 5 H CYS 5 -6.793 5.371 -0.097 38 HA CYS 5 HA CYS 5 -4.876 4.670 -2.120 39 1HB CYS 5 1HB CYS 5 -5.074 3.647 0.223 40 2HB CYS 5 2HB CYS 5 -6.420 2.720 -0.418 41 HG CYS 5 HG CYS 5 -4.764 1.117 -1.203 42 HA PRO 6 HA PRO 6 -7.804 3.532 -5.263 43 1HB PRO 6 1HB PRO 6 -6.168 2.140 -6.896 44 2HB PRO 6 2HB PRO 6 -6.068 3.897 -6.736 45 1HG PRO 6 1HG PRO 6 -4.373 1.780 -5.473 46 2HG PRO 6 2HG PRO 6 -3.883 3.323 -6.195 47 1HD PRO 6 1HD PRO 6 -4.151 2.936 -3.506 48 2HD PRO 6 2HD PRO 6 -4.377 4.510 -4.296 49 H GLU 7 H GLU 7 -6.127 1.231 -3.290 50 HA GLU 7 HA GLU 7 -7.722 -0.993 -4.327 51 1HB GLU 7 1HB GLU 7 -5.165 -0.754 -2.816 52 2HB GLU 7 2HB GLU 7 -6.142 -2.188 -2.555 53 1HG GLU 7 1HG GLU 7 -4.630 -2.778 -4.233 54 2HG GLU 7 2HG GLU 7 -6.145 -2.465 -5.079 55 H CYS 8 H CYS 8 -6.879 0.644 -1.274 56 HA CYS 8 HA CYS 8 -9.299 -0.535 -0.067 57 1HB CYS 8 1HB CYS 8 -8.187 -0.433 2.087 58 2HB CYS 8 2HB CYS 8 -7.193 -1.328 0.948 59 HG CYS 8 HG CYS 8 -6.480 1.634 1.464 60 HA PRO 9 HA PRO 9 -10.610 3.583 0.862 61 1HB PRO 9 1HB PRO 9 -12.236 3.188 2.939 62 2HB PRO 9 2HB PRO 9 -12.553 2.431 1.374 63 1HG PRO 9 1HG PRO 9 -11.464 1.235 3.872 64 2HG PRO 9 2HG PRO 9 -12.502 0.507 2.636 65 1HD PRO 9 1HD PRO 9 -9.696 0.230 2.873 66 2HD PRO 9 2HD PRO 9 -10.701 -0.289 1.509 67 H LYS 10 H LYS 10 -7.955 3.304 1.931 68 HA LYS 10 HA LYS 10 -8.092 4.351 4.641 69 1HB LYS 10 1HB LYS 10 -5.633 3.866 2.948 70 2HB LYS 10 2HB LYS 10 -5.671 4.210 4.651 71 1HG LYS 10 1HG LYS 10 -7.143 1.828 3.670 72 2HG LYS 10 2HG LYS 10 -5.382 1.765 3.781 73 1HD LYS 10 1HD LYS 10 -5.551 2.465 6.152 74 2HD LYS 10 2HD LYS 10 -7.309 2.392 6.016 75 1HE LYS 10 1HE LYS 10 -7.031 -0.015 5.305 76 2HE LYS 10 2HE LYS 10 -5.339 0.128 5.779 77 1HZ LYS 10 1HZ LYS 10 -6.061 0.692 8.023 78 2HZ LYS 10 2HZ LYS 10 -6.661 -0.819 7.555 79 3HZ LYS 10 3HZ LYS 10 -7.682 0.529 7.562 80 H ARG 11 H ARG 11 -7.135 6.336 5.248 81 HA ARG 11 HA ARG 11 -6.656 8.300 3.133 82 1HB ARG 11 1HB ARG 11 -8.068 9.953 4.515 83 2HB ARG 11 2HB ARG 11 -8.912 8.797 3.496 84 1HG ARG 11 1HG ARG 11 -8.702 7.482 5.915 85 2HG ARG 11 2HG ARG 11 -9.003 9.159 6.373 86 1HD ARG 11 1HD ARG 11 -10.937 9.185 4.824 87 2HD ARG 11 2HD ARG 11 -10.663 7.474 4.501 88 HE ARG 11 HE ARG 11 -11.817 8.645 6.882 89 1HH1 ARG 11 1HH1 ARG 11 -10.369 5.790 5.459 90 2HH1 ARG 11 2HH1 ARG 11 -11.065 4.711 6.619 91 1HH2 ARG 11 1HH2 ARG 11 -12.726 7.219 8.406 92 2HH2 ARG 11 2HH2 ARG 11 -12.403 5.521 8.293 93 H PHE 12 H PHE 12 -4.989 9.619 3.581 94 HA PHE 12 HA PHE 12 -4.077 9.800 6.374 95 1HB PHE 12 1HB PHE 12 -2.263 9.440 4.016 96 2HB PHE 12 2HB PHE 12 -1.782 9.492 5.697 97 HD1 PHE 12 HD1 PHE 12 -4.245 7.581 3.637 98 HD2 PHE 12 HD2 PHE 12 -1.156 7.455 6.558 99 HE1 PHE 12 HE1 PHE 12 -4.444 5.150 3.728 100 HE2 PHE 12 HE2 PHE 12 -1.357 5.001 6.656 101 HZ PHE 12 HZ PHE 12 -3.005 3.847 5.219 102 H MET 13 H MET 13 -2.858 11.647 6.926 103 HA MET 13 HA MET 13 -3.630 14.016 5.484 104 1HB MET 13 1HB MET 13 -1.987 13.569 7.978 105 2HB MET 13 2HB MET 13 -2.267 15.165 7.296 106 1HG MET 13 1HG MET 13 -4.722 14.726 7.511 107 2HG MET 13 2HG MET 13 -4.313 13.259 8.400 108 1HE MET 13 1HE MET 13 -3.965 13.240 10.985 109 2HE MET 13 2HE MET 13 -2.929 14.459 11.726 110 3HE MET 13 3HE MET 13 -2.339 13.515 10.358 111 H ARG 14 H ARG 14 -0.795 12.002 5.739 112 HA ARG 14 HA ARG 14 0.837 13.953 4.279 113 1HB ARG 14 1HB ARG 14 1.569 11.348 5.621 114 2HB ARG 14 2HB ARG 14 2.706 12.353 4.742 115 1HG ARG 14 1HG ARG 14 1.195 13.152 7.223 116 2HG ARG 14 2HG ARG 14 2.890 12.666 7.151 117 1HD ARG 14 1HD ARG 14 3.106 14.946 7.116 118 2HD ARG 14 2HD ARG 14 3.041 14.602 5.384 119 HE ARG 14 HE ARG 14 0.439 15.013 6.141 120 1HH1 ARG 14 1HH1 ARG 14 3.391 16.890 6.258 121 2HH1 ARG 14 2HH1 ARG 14 2.575 18.410 6.122 122 1HH2 ARG 14 1HH2 ARG 14 -0.631 17.017 5.958 123 2HH2 ARG 14 2HH2 ARG 14 0.290 18.483 5.952 124 H SER 15 H SER 15 2.005 13.298 2.388 125 HA SER 15 HA SER 15 0.460 11.486 0.715 126 1HB SER 15 1HB SER 15 0.827 13.196 -0.656 127 2HB SER 15 2HB SER 15 2.210 13.787 0.259 128 HG SER 15 HG SER 15 2.914 13.094 -1.754 129 H ASP 16 H ASP 16 3.808 11.935 1.789 130 HA ASP 16 HA ASP 16 4.842 9.628 0.498 131 1HB ASP 16 1HB ASP 16 6.657 9.965 2.438 132 2HB ASP 16 2HB ASP 16 6.599 10.994 1.015 133 H HIS 17 H HIS 17 3.804 10.229 3.847 134 HA HIS 17 HA HIS 17 4.395 7.671 4.856 135 1HB HIS 17 1HB HIS 17 2.385 9.754 5.709 136 2HB HIS 17 2HB HIS 17 2.644 8.259 6.596 137 HD1 HIS 17 HD1 HIS 17 3.267 10.171 8.477 138 HD2 HIS 17 HD2 HIS 17 5.993 9.539 5.405 139 HE1 HIS 17 HE1 HIS 17 5.432 11.154 9.286 140 HE2 HIS 17 HE2 HIS 17 7.042 10.847 7.375 141 H LEU 18 H LEU 18 1.446 8.986 3.380 142 HA LEU 18 HA LEU 18 -0.227 6.778 3.757 143 1HB LEU 18 1HB LEU 18 -0.890 9.037 2.940 144 2HB LEU 18 2HB LEU 18 -0.190 8.644 1.392 145 HG LEU 18 HG LEU 18 -2.323 6.902 2.550 146 1HD1 LEU 18 1HD1 LEU 18 -3.459 8.901 2.705 147 2HD1 LEU 18 2HD1 LEU 18 -3.856 8.376 1.071 148 3HD1 LEU 18 3HD1 LEU 18 -2.613 9.604 1.330 149 1HD2 LEU 18 1HD2 LEU 18 -1.812 5.838 0.661 150 2HD2 LEU 18 2HD2 LEU 18 -0.944 7.227 0.004 151 3HD2 LEU 18 3HD2 LEU 18 -2.699 7.135 -0.144 152 H THR 19 H THR 19 1.955 7.597 1.073 153 HA THR 19 HA THR 19 1.375 5.374 -0.513 154 HB THR 19 HB THR 19 3.988 6.895 -0.343 155 HG1 THR 19 HG1 THR 19 2.729 8.440 -1.019 156 1HG2 THR 19 1HG2 THR 19 4.391 4.966 -1.649 157 2HG2 THR 19 2HG2 THR 19 4.151 6.305 -2.772 158 3HG2 THR 19 3HG2 THR 19 2.856 5.139 -2.499 159 H LEU 20 H LEU 20 3.503 5.789 2.246 160 HA LEU 20 HA LEU 20 5.051 3.456 1.982 161 1HB LEU 20 1HB LEU 20 5.367 5.404 3.601 162 2HB LEU 20 2HB LEU 20 4.146 4.646 4.602 163 HG LEU 20 HG LEU 20 6.309 2.824 3.846 164 1HD1 LEU 20 1HD1 LEU 20 6.946 5.191 5.600 165 2HD1 LEU 20 2HD1 LEU 20 7.589 4.914 3.981 166 3HD1 LEU 20 3HD1 LEU 20 7.991 3.804 5.291 167 1HD2 LEU 20 1HD2 LEU 20 6.219 2.297 6.225 168 2HD2 LEU 20 2HD2 LEU 20 4.602 2.307 5.522 169 3HD2 LEU 20 3HD2 LEU 20 5.147 3.670 6.499 170 H HIS 21 H HIS 21 1.836 4.040 3.277 171 HA HIS 21 HA HIS 21 1.401 1.556 4.515 172 1HB HIS 21 1HB HIS 21 -0.536 2.550 5.057 173 2HB HIS 21 2HB HIS 21 -0.027 3.948 4.153 174 HD1 HIS 21 HD1 HIS 21 -2.008 4.709 2.837 175 HD2 HIS 21 HD2 HIS 21 -1.603 0.592 2.772 176 HE1 HIS 21 HE1 HIS 21 -3.892 3.816 1.419 177 H ILE 22 H ILE 22 0.533 2.763 1.321 178 HA ILE 22 HA ILE 22 -0.833 0.567 0.379 179 HB ILE 22 HB ILE 22 0.838 2.326 -1.407 180 1HG1 ILE 22 1HG1 ILE 22 -1.994 2.984 -0.797 181 2HG1 ILE 22 2HG1 ILE 22 -0.825 3.371 0.442 182 1HG2 ILE 22 1HG2 ILE 22 -0.637 1.755 -3.104 183 2HG2 ILE 22 2HG2 ILE 22 -1.899 1.264 -1.973 184 3HG2 ILE 22 3HG2 ILE 22 -0.485 0.236 -2.220 185 1HD1 ILE 22 1HD1 ILE 22 -0.546 5.273 -0.634 186 2HD1 ILE 22 2HD1 ILE 22 -1.392 4.682 -2.062 187 3HD1 ILE 22 3HD1 ILE 22 0.325 4.344 -1.851 188 H LEU 23 H LEU 23 2.530 0.710 1.002 189 HA LEU 23 HA LEU 23 3.503 -1.096 -0.922 190 1HB LEU 23 1HB LEU 23 4.388 -0.170 1.757 191 2HB LEU 23 2HB LEU 23 5.083 -1.668 1.170 192 HG LEU 23 HG LEU 23 5.182 0.372 -0.877 193 1HD1 LEU 23 1HD1 LEU 23 6.332 1.038 1.818 194 2HD1 LEU 23 2HD1 LEU 23 5.290 2.027 0.794 195 3HD1 LEU 23 3HD1 LEU 23 6.960 1.719 0.316 196 1HD2 LEU 23 1HD2 LEU 23 7.347 -1.115 0.605 197 2HD2 LEU 23 2HD2 LEU 23 7.523 -0.261 -0.928 198 3HD2 LEU 23 3HD2 LEU 23 6.506 -1.697 -0.831 199 H LEU 24 H LEU 24 1.545 -1.549 1.925 200 HA LEU 24 HA LEU 24 2.000 -4.235 2.533 201 1HB LEU 24 1HB LEU 24 -0.705 -2.893 2.583 202 2HB LEU 24 2HB LEU 24 -0.187 -4.263 3.543 203 HG LEU 24 HG LEU 24 1.355 -1.763 3.916 204 1HD1 LEU 24 1HD1 LEU 24 -0.270 -0.634 5.190 205 2HD1 LEU 24 2HD1 LEU 24 -1.365 -2.017 5.173 206 3HD1 LEU 24 3HD1 LEU 24 -1.094 -1.087 3.697 207 1HD2 LEU 24 1HD2 LEU 24 0.197 -3.837 5.774 208 2HD2 LEU 24 2HD2 LEU 24 1.226 -2.490 6.263 209 3HD2 LEU 24 3HD2 LEU 24 1.865 -3.750 5.206 210 H HIS 25 H HIS 25 -0.254 -2.775 0.210 211 HA HIS 25 HA HIS 25 -1.505 -5.095 -0.697 212 1HB HIS 25 1HB HIS 25 -0.904 -2.586 -2.281 213 2HB HIS 25 2HB HIS 25 -2.119 -3.796 -2.683 214 HD1 HIS 25 HD1 HIS 25 -3.996 -4.089 -0.604 215 HD2 HIS 25 HD2 HIS 25 -1.906 -0.511 -0.913 216 HE1 HIS 25 HE1 HIS 25 -5.314 -2.378 0.713 217 H GLU 26 H GLU 26 1.527 -3.591 -1.733 218 HA GLU 26 HA GLU 26 1.999 -5.162 -4.011 219 1HB GLU 26 1HB GLU 26 3.244 -3.065 -3.241 220 2HB GLU 26 2HB GLU 26 4.164 -4.125 -2.183 221 1HG GLU 26 1HG GLU 26 5.473 -3.832 -4.110 222 2HG GLU 26 2HG GLU 26 4.778 -5.446 -4.241 223 H ASN 27 H ASN 27 2.998 -5.643 -0.628 224 HA ASN 27 HA ASN 27 3.032 -8.505 -1.014 225 1HB ASN 27 1HB ASN 27 5.423 -8.522 0.094 226 2HB ASN 27 2HB ASN 27 5.249 -8.368 -1.649 227 1HD2 ASN 27 1HD2 ASN 27 5.884 -6.512 -2.649 228 2HD2 ASN 27 2HD2 ASN 27 6.665 -5.204 -1.833 229 H LYS 28 H LYS 28 1.601 -8.871 0.588 230 HA LYS 28 HA LYS 28 2.121 -7.700 3.233 231 1HB LYS 28 1HB LYS 28 -0.177 -7.598 1.938 232 2HB LYS 28 2HB LYS 28 -0.379 -9.213 2.602 233 1HG LYS 28 1HG LYS 28 -0.072 -8.323 4.859 234 2HG LYS 28 2HG LYS 28 0.124 -6.702 4.189 235 1HD LYS 28 1HD LYS 28 -2.127 -6.701 3.367 236 2HD LYS 28 2HD LYS 28 -2.335 -8.402 3.789 237 1HE LYS 28 1HE LYS 28 -3.410 -7.286 5.523 238 2HE LYS 28 2HE LYS 28 -1.821 -7.645 6.196 239 1HZ LYS 28 1HZ LYS 28 -2.618 -5.046 4.995 240 2HZ LYS 28 2HZ LYS 28 -1.127 -5.397 5.711 241 3HZ LYS 28 3HZ LYS 28 -2.530 -5.367 6.654 242 H LYS 29 H LYS 29 2.874 -8.921 4.835 243 HA LYS 29 HA LYS 29 2.521 -11.836 4.702 244 1HB LYS 29 1HB LYS 29 4.863 -10.852 3.990 245 2HB LYS 29 2HB LYS 29 5.100 -10.724 5.727 246 1HG LYS 29 1HG LYS 29 4.152 -13.311 4.610 247 2HG LYS 29 2HG LYS 29 5.844 -12.860 4.396 248 1HD LYS 29 1HD LYS 29 5.880 -12.422 6.904 249 2HD LYS 29 2HD LYS 29 4.327 -13.259 6.963 250 1HE LYS 29 1HE LYS 29 5.327 -15.257 6.042 251 2HE LYS 29 2HE LYS 29 6.868 -14.427 5.834 252 1HZ LYS 29 1HZ LYS 29 6.886 -15.806 7.806 253 2HZ LYS 29 2HZ LYS 29 5.538 -14.997 8.429 254 3HZ LYS 29 3HZ LYS 29 7.005 -14.174 8.241 Start of MODEL 40 1 H TYR 1 H TYR 1 -8.108 13.796 6.975 2 HA TYR 1 HA TYR 1 -7.059 11.507 5.455 3 1HB TYR 1 1HB TYR 1 -9.878 12.460 6.029 4 2HB TYR 1 2HB TYR 1 -9.429 10.979 5.193 5 HD1 TYR 1 HD1 TYR 1 -7.467 9.700 6.800 6 HD2 TYR 1 HD2 TYR 1 -10.814 11.995 8.077 7 HE1 TYR 1 HE1 TYR 1 -7.471 8.493 8.941 8 HE2 TYR 1 HE2 TYR 1 -10.826 10.797 10.222 9 HH TYR 1 HH TYR 1 -8.665 9.404 11.566 10 H LYS 2 H LYS 2 -5.916 13.045 4.054 11 HA LYS 2 HA LYS 2 -7.619 14.736 2.386 12 1HB LYS 2 1HB LYS 2 -4.741 14.635 3.039 13 2HB LYS 2 2HB LYS 2 -5.117 15.076 1.380 14 1HG LYS 2 1HG LYS 2 -6.705 16.803 2.367 15 2HG LYS 2 2HG LYS 2 -5.905 16.484 3.907 16 1HD LYS 2 1HD LYS 2 -3.815 17.232 3.085 17 2HD LYS 2 2HD LYS 2 -4.388 17.227 1.416 18 1HE LYS 2 1HE LYS 2 -5.752 18.961 3.428 19 2HE LYS 2 2HE LYS 2 -4.202 19.469 2.761 20 1HZ LYS 2 1HZ LYS 2 -6.041 20.372 1.490 21 2HZ LYS 2 2HZ LYS 2 -6.635 18.818 1.185 22 3HZ LYS 2 3HZ LYS 2 -5.147 19.295 0.539 23 H PHE 3 H PHE 3 -5.165 12.175 1.955 24 HA PHE 3 HA PHE 3 -6.026 11.779 -0.796 25 1HB PHE 3 1HB PHE 3 -3.670 11.038 0.832 26 2HB PHE 3 2HB PHE 3 -4.145 9.885 -0.398 27 HD1 PHE 3 HD1 PHE 3 -4.324 10.675 -2.794 28 HD2 PHE 3 HD2 PHE 3 -2.501 12.986 0.282 29 HE1 PHE 3 HE1 PHE 3 -3.161 12.019 -4.496 30 HE2 PHE 3 HE2 PHE 3 -1.338 14.333 -1.416 31 HZ PHE 3 HZ PHE 3 -1.667 13.851 -3.808 32 H ALA 4 H ALA 4 -6.051 9.364 -1.489 33 HA ALA 4 HA ALA 4 -7.241 7.571 0.456 34 1HB ALA 4 1HB ALA 4 -8.794 8.528 -1.946 35 2HB ALA 4 2HB ALA 4 -9.187 8.819 -0.251 36 3HB ALA 4 3HB ALA 4 -9.264 7.183 -0.907 37 H CYS 5 H CYS 5 -6.812 5.465 -0.007 38 HA CYS 5 HA CYS 5 -5.004 4.861 -2.118 39 1HB CYS 5 1HB CYS 5 -5.285 3.700 0.195 40 2HB CYS 5 2HB CYS 5 -6.524 2.753 -0.613 41 HG CYS 5 HG CYS 5 -3.621 2.737 -1.709 42 HA PRO 6 HA PRO 6 -7.926 3.960 -5.342 43 1HB PRO 6 1HB PRO 6 -6.293 2.600 -7.018 44 2HB PRO 6 2HB PRO 6 -6.189 4.350 -6.802 45 1HG PRO 6 1HG PRO 6 -4.516 2.188 -5.583 46 2HG PRO 6 2HG PRO 6 -4.007 3.743 -6.270 47 1HD PRO 6 1HD PRO 6 -4.268 3.326 -3.601 48 2HD PRO 6 2HD PRO 6 -4.551 4.907 -4.361 49 H GLU 7 H GLU 7 -6.211 1.497 -3.569 50 HA GLU 7 HA GLU 7 -7.931 -0.611 -4.658 51 1HB GLU 7 1HB GLU 7 -5.280 -0.677 -4.247 52 2HB GLU 7 2HB GLU 7 -5.815 -1.243 -2.671 53 1HG GLU 7 1HG GLU 7 -6.866 -2.487 -5.180 54 2HG GLU 7 2HG GLU 7 -5.302 -2.961 -4.519 55 H CYS 8 H CYS 8 -6.821 0.648 -1.497 56 HA CYS 8 HA CYS 8 -9.194 -0.588 -0.262 57 1HB CYS 8 1HB CYS 8 -8.018 -0.595 1.816 58 2HB CYS 8 2HB CYS 8 -6.930 -1.240 0.599 59 HG CYS 8 HG CYS 8 -5.365 0.612 0.999 60 HA PRO 9 HA PRO 9 -10.699 3.398 0.914 61 1HB PRO 9 1HB PRO 9 -12.118 2.837 3.102 62 2HB PRO 9 2HB PRO 9 -12.515 2.109 1.543 63 1HG PRO 9 1HG PRO 9 -11.158 0.910 3.902 64 2HG PRO 9 2HG PRO 9 -12.237 0.153 2.721 65 1HD PRO 9 1HD PRO 9 -9.411 0.060 2.737 66 2HD PRO 9 2HD PRO 9 -10.480 -0.486 1.436 67 H LYS 10 H LYS 10 -7.920 3.073 1.892 68 HA LYS 10 HA LYS 10 -7.970 4.170 4.580 69 1HB LYS 10 1HB LYS 10 -5.605 3.683 2.765 70 2HB LYS 10 2HB LYS 10 -5.527 4.115 4.446 71 1HG LYS 10 1HG LYS 10 -7.051 1.677 3.758 72 2HG LYS 10 2HG LYS 10 -5.292 1.617 3.625 73 1HD LYS 10 1HD LYS 10 -5.111 2.402 5.952 74 2HD LYS 10 2HD LYS 10 -6.872 2.396 6.075 75 1HE LYS 10 1HE LYS 10 -6.244 0.362 7.027 76 2HE LYS 10 2HE LYS 10 -6.714 -0.070 5.384 77 1HZ LYS 10 1HZ LYS 10 -4.390 -0.095 4.750 78 2HZ LYS 10 2HZ LYS 10 -4.647 -1.144 6.052 79 3HZ LYS 10 3HZ LYS 10 -3.924 0.364 6.312 80 H ARG 11 H ARG 11 -7.062 6.187 5.136 81 HA ARG 11 HA ARG 11 -6.725 8.141 2.985 82 1HB ARG 11 1HB ARG 11 -8.484 8.587 5.395 83 2HB ARG 11 2HB ARG 11 -8.129 9.760 4.145 84 1HG ARG 11 1HG ARG 11 -9.471 8.715 2.586 85 2HG ARG 11 2HG ARG 11 -9.403 7.162 3.419 86 1HD ARG 11 1HD ARG 11 -10.936 7.833 5.048 87 2HD ARG 11 2HD ARG 11 -10.701 9.543 4.694 88 HE ARG 11 HE ARG 11 -12.242 9.384 3.002 89 1HH1 ARG 11 1HH1 ARG 11 -11.376 6.153 4.045 90 2HH1 ARG 11 2HH1 ARG 11 -12.626 5.390 3.122 91 1HH2 ARG 11 1HH2 ARG 11 -13.884 8.371 1.791 92 2HH2 ARG 11 2HH2 ARG 11 -14.049 6.647 1.843 93 H PHE 12 H PHE 12 -5.180 9.651 3.380 94 HA PHE 12 HA PHE 12 -4.084 9.870 6.090 95 1HB PHE 12 1HB PHE 12 -2.331 9.437 3.697 96 2HB PHE 12 2HB PHE 12 -1.822 9.523 5.368 97 HD1 PHE 12 HD1 PHE 12 -4.217 7.554 3.289 98 HD2 PHE 12 HD2 PHE 12 -1.271 7.516 6.357 99 HE1 PHE 12 HE1 PHE 12 -4.413 5.122 3.432 100 HE2 PHE 12 HE2 PHE 12 -1.466 5.066 6.508 101 HZ PHE 12 HZ PHE 12 -3.040 3.866 5.031 102 H MET 13 H MET 13 -3.061 11.800 6.572 103 HA MET 13 HA MET 13 -3.808 14.037 4.918 104 1HB MET 13 1HB MET 13 -2.589 15.360 6.735 105 2HB MET 13 2HB MET 13 -4.023 14.467 7.218 106 1HG MET 13 1HG MET 13 -2.828 12.933 8.435 107 2HG MET 13 2HG MET 13 -1.353 13.182 7.505 108 1HE MET 13 1HE MET 13 -2.829 13.401 10.696 109 2HE MET 13 2HE MET 13 -1.733 14.468 11.575 110 3HE MET 13 3HE MET 13 -1.102 13.047 10.743 111 H ARG 14 H ARG 14 -0.977 12.091 5.347 112 HA ARG 14 HA ARG 14 0.712 14.064 3.986 113 1HB ARG 14 1HB ARG 14 1.358 11.502 5.450 114 2HB ARG 14 2HB ARG 14 2.544 12.371 4.490 115 1HG ARG 14 1HG ARG 14 2.990 13.192 6.573 116 2HG ARG 14 2HG ARG 14 1.845 14.398 5.982 117 1HD ARG 14 1HD ARG 14 0.531 13.983 7.722 118 2HD ARG 14 2HD ARG 14 0.335 12.320 7.164 119 HE ARG 14 HE ARG 14 1.758 11.636 8.815 120 1HH1 ARG 14 1HH1 ARG 14 2.103 15.100 8.439 121 2HH1 ARG 14 2HH1 ARG 14 3.109 15.275 9.836 122 1HH2 ARG 14 1HH2 ARG 14 3.084 11.874 10.656 123 2HH2 ARG 14 2HH2 ARG 14 3.667 13.445 11.094 124 H SER 15 H SER 15 2.085 13.333 2.207 125 HA SER 15 HA SER 15 0.601 11.561 0.423 126 1HB SER 15 1HB SER 15 1.033 13.204 -0.988 127 2HB SER 15 2HB SER 15 2.245 13.923 0.069 128 HG SER 15 HG SER 15 3.783 12.922 -1.005 129 H ASP 16 H ASP 16 3.858 11.956 1.783 130 HA ASP 16 HA ASP 16 4.896 9.633 0.464 131 1HB ASP 16 1HB ASP 16 6.924 10.015 1.699 132 2HB ASP 16 2HB ASP 16 6.317 11.567 1.142 133 H HIS 17 H HIS 17 3.631 10.314 3.700 134 HA HIS 17 HA HIS 17 4.297 7.799 4.830 135 1HB HIS 17 1HB HIS 17 2.275 9.912 5.560 136 2HB HIS 17 2HB HIS 17 2.410 8.407 6.457 137 HD1 HIS 17 HD1 HIS 17 3.022 10.054 8.476 138 HD2 HIS 17 HD2 HIS 17 5.828 9.784 5.426 139 HE1 HIS 17 HE1 HIS 17 5.139 11.007 9.426 140 HE2 HIS 17 HE2 HIS 17 6.794 10.939 7.529 141 H LEU 18 H LEU 18 1.403 9.034 3.191 142 HA LEU 18 HA LEU 18 -0.276 6.834 3.563 143 1HB LEU 18 1HB LEU 18 -0.892 9.065 2.619 144 2HB LEU 18 2HB LEU 18 -0.129 8.593 1.122 145 HG LEU 18 HG LEU 18 -2.297 6.888 2.261 146 1HD1 LEU 18 1HD1 LEU 18 -2.588 9.546 0.940 147 2HD1 LEU 18 2HD1 LEU 18 -3.446 8.895 2.335 148 3HD1 LEU 18 3HD1 LEU 18 -3.812 8.295 0.717 149 1HD2 LEU 18 1HD2 LEU 18 -2.575 7.090 -0.461 150 2HD2 LEU 18 2HD2 LEU 18 -1.759 5.785 0.409 151 3HD2 LEU 18 3HD2 LEU 18 -0.828 7.142 -0.229 152 H THR 19 H THR 19 2.038 7.550 0.961 153 HA THR 19 HA THR 19 1.527 5.265 -0.560 154 HB THR 19 HB THR 19 4.139 6.782 -0.344 155 HG1 THR 19 HG1 THR 19 2.925 8.322 -1.104 156 1HG2 THR 19 1HG2 THR 19 3.051 4.994 -2.498 157 2HG2 THR 19 2HG2 THR 19 4.548 4.805 -1.584 158 3HG2 THR 19 3HG2 THR 19 4.382 6.124 -2.743 159 H LEU 20 H LEU 20 3.573 5.806 2.252 160 HA LEU 20 HA LEU 20 5.113 3.461 2.148 161 1HB LEU 20 1HB LEU 20 5.393 5.451 3.703 162 2HB LEU 20 2HB LEU 20 4.100 4.772 4.669 163 HG LEU 20 HG LEU 20 6.261 2.873 4.105 164 1HD1 LEU 20 1HD1 LEU 20 7.601 4.903 4.262 165 2HD1 LEU 20 2HD1 LEU 20 7.845 3.869 5.669 166 3HD1 LEU 20 3HD1 LEU 20 6.828 5.305 5.795 167 1HD2 LEU 20 1HD2 LEU 20 4.942 3.819 6.648 168 2HD2 LEU 20 2HD2 LEU 20 6.001 2.417 6.484 169 3HD2 LEU 20 3HD2 LEU 20 4.435 2.439 5.673 170 H HIS 21 H HIS 21 1.858 4.102 3.323 171 HA HIS 21 HA HIS 21 1.349 1.673 4.627 172 1HB HIS 21 1HB HIS 21 -0.611 2.703 5.014 173 2HB HIS 21 2HB HIS 21 -0.073 4.036 4.033 174 HD1 HIS 21 HD1 HIS 21 -2.035 4.671 2.607 175 HD2 HIS 21 HD2 HIS 21 -1.518 0.570 2.791 176 HE1 HIS 21 HE1 HIS 21 -3.839 3.646 1.164 177 H ILE 22 H ILE 22 0.640 2.719 1.344 178 HA ILE 22 HA ILE 22 -0.636 0.454 0.438 179 HB ILE 22 HB ILE 22 1.091 2.165 -1.341 180 1HG1 ILE 22 1HG1 ILE 22 -1.779 2.793 -0.895 181 2HG1 ILE 22 2HG1 ILE 22 -0.675 3.263 0.376 182 1HG2 ILE 22 1HG2 ILE 22 -0.177 1.404 -3.084 183 2HG2 ILE 22 2HG2 ILE 22 -1.600 1.146 -2.070 184 3HG2 ILE 22 3HG2 ILE 22 -0.269 -0.013 -2.037 185 1HD1 ILE 22 1HD1 ILE 22 0.559 4.149 -1.912 186 2HD1 ILE 22 2HD1 ILE 22 -0.380 5.117 -0.776 187 3HD1 ILE 22 3HD1 ILE 22 -1.153 4.445 -2.209 188 H LEU 23 H LEU 23 2.640 0.622 1.317 189 HA LEU 23 HA LEU 23 3.846 -1.144 -0.481 190 1HB LEU 23 1HB LEU 23 4.315 -0.593 2.441 191 2HB LEU 23 2HB LEU 23 5.276 -1.769 1.566 192 HG LEU 23 HG LEU 23 5.050 1.120 0.731 193 1HD1 LEU 23 1HD1 LEU 23 6.038 0.810 3.022 194 2HD1 LEU 23 2HD1 LEU 23 7.100 1.569 1.835 195 3HD1 LEU 23 3HD1 LEU 23 7.322 -0.129 2.259 196 1HD2 LEU 23 1HD2 LEU 23 5.719 -0.381 -1.048 197 2HD2 LEU 23 2HD2 LEU 23 6.961 -1.091 -0.017 198 3HD2 LEU 23 3HD2 LEU 23 7.098 0.590 -0.533 199 H LEU 24 H LEU 24 1.676 -1.707 2.243 200 HA LEU 24 HA LEU 24 2.038 -4.472 2.559 201 1HB LEU 24 1HB LEU 24 -0.344 -4.456 3.414 202 2HB LEU 24 2HB LEU 24 0.796 -3.413 4.236 203 HG LEU 24 HG LEU 24 -0.258 -1.698 2.393 204 1HD1 LEU 24 1HD1 LEU 24 -2.589 -3.332 3.351 205 2HD1 LEU 24 2HD1 LEU 24 -1.894 -3.484 1.738 206 3HD1 LEU 24 3HD1 LEU 24 -2.602 -1.951 2.251 207 1HD2 LEU 24 1HD2 LEU 24 -1.283 -0.646 4.228 208 2HD2 LEU 24 2HD2 LEU 24 0.105 -1.504 4.896 209 3HD2 LEU 24 3HD2 LEU 24 -1.516 -2.174 5.076 210 H HIS 25 H HIS 25 0.022 -2.662 0.293 211 HA HIS 25 HA HIS 25 -1.552 -4.724 -0.702 212 1HB HIS 25 1HB HIS 25 -0.514 -2.199 -1.969 213 2HB HIS 25 2HB HIS 25 -1.558 -3.310 -2.848 214 HD1 HIS 25 HD1 HIS 25 -3.924 -3.839 -1.440 215 HD2 HIS 25 HD2 HIS 25 -1.870 -0.325 -0.613 216 HE1 HIS 25 HE1 HIS 25 -5.571 -2.305 -0.290 217 H GLU 26 H GLU 26 1.791 -3.915 -1.424 218 HA GLU 26 HA GLU 26 2.179 -5.325 -3.784 219 1HB GLU 26 1HB GLU 26 3.835 -3.831 -2.581 220 2HB GLU 26 2HB GLU 26 4.181 -5.195 -1.527 221 1HG GLU 26 1HG GLU 26 4.554 -6.398 -3.870 222 2HG GLU 26 2HG GLU 26 4.914 -4.741 -4.357 223 H ASN 27 H ASN 27 2.309 -6.491 -0.430 224 HA ASN 27 HA ASN 27 2.517 -9.251 -1.417 225 1HB ASN 27 1HB ASN 27 3.034 -8.047 1.309 226 2HB ASN 27 2HB ASN 27 3.030 -9.782 1.000 227 1HD2 ASN 27 1HD2 ASN 27 4.766 -10.719 0.026 228 2HD2 ASN 27 2HD2 ASN 27 6.212 -9.867 -0.379 229 H LYS 28 H LYS 28 0.198 -8.912 -2.081 230 HA LYS 28 HA LYS 28 -1.675 -9.197 0.165 231 1HB LYS 28 1HB LYS 28 -1.864 -7.554 -1.959 232 2HB LYS 28 2HB LYS 28 -2.691 -8.961 -2.612 233 1HG LYS 28 1HG LYS 28 -4.467 -7.904 -1.691 234 2HG LYS 28 2HG LYS 28 -3.952 -8.833 -0.283 235 1HD LYS 28 1HD LYS 28 -2.970 -6.975 0.734 236 2HD LYS 28 2HD LYS 28 -2.886 -6.075 -0.781 237 1HE LYS 28 1HE LYS 28 -5.213 -5.657 -0.774 238 2HE LYS 28 2HE LYS 28 -5.497 -6.844 0.499 239 1HZ LYS 28 1HZ LYS 28 -5.483 -4.373 1.113 240 2HZ LYS 28 2HZ LYS 28 -3.799 -4.481 0.995 241 3HZ LYS 28 3HZ LYS 28 -4.631 -5.444 2.109 242 H LYS 29 H LYS 29 -2.893 -10.997 0.461 243 HA LYS 29 HA LYS 29 -2.098 -13.378 -0.980 244 1HB LYS 29 1HB LYS 29 -3.394 -14.599 0.670 245 2HB LYS 29 2HB LYS 29 -2.358 -13.426 1.470 246 1HG LYS 29 1HG LYS 29 -4.536 -11.931 1.310 247 2HG LYS 29 2HG LYS 29 -5.315 -13.513 1.247 248 1HD LYS 29 1HD LYS 29 -3.268 -12.882 3.347 249 2HD LYS 29 2HD LYS 29 -4.953 -12.398 3.547 250 1HE LYS 29 1HE LYS 29 -5.666 -14.711 3.312 251 2HE LYS 29 2HE LYS 29 -3.999 -15.215 3.036 252 1HZ LYS 29 1HZ LYS 29 -5.067 -14.010 5.533 253 2HZ LYS 29 2HZ LYS 29 -3.452 -14.441 5.273 254 3HZ LYS 29 3HZ LYS 29 -4.651 -15.635 5.309 Start of MODEL 41 1 H TYR 1 H TYR 1 -6.762 13.527 6.545 2 HA TYR 1 HA TYR 1 -7.949 11.113 5.382 3 1HB TYR 1 1HB TYR 1 -9.296 13.330 6.939 4 2HB TYR 1 2HB TYR 1 -10.163 12.245 5.858 5 HD1 TYR 1 HD1 TYR 1 -10.094 9.746 6.368 6 HD2 TYR 1 HD2 TYR 1 -8.857 12.708 9.158 7 HE1 TYR 1 HE1 TYR 1 -10.340 8.119 8.194 8 HE2 TYR 1 HE2 TYR 1 -9.099 11.090 10.993 9 HH TYR 1 HH TYR 1 -10.755 8.662 11.098 10 H LYS 2 H LYS 2 -6.085 12.957 4.238 11 HA LYS 2 HA LYS 2 -7.709 14.738 2.588 12 1HB LYS 2 1HB LYS 2 -5.505 15.431 3.699 13 2HB LYS 2 2HB LYS 2 -4.713 14.449 2.474 14 1HG LYS 2 1HG LYS 2 -5.651 15.818 0.716 15 2HG LYS 2 2HG LYS 2 -6.558 16.760 1.902 16 1HD LYS 2 1HD LYS 2 -4.764 18.141 1.660 17 2HD LYS 2 2HD LYS 2 -4.127 17.090 2.925 18 1HE LYS 2 1HE LYS 2 -3.690 16.151 0.170 19 2HE LYS 2 2HE LYS 2 -2.849 17.640 0.599 20 1HZ LYS 2 1HZ LYS 2 -2.024 16.411 2.608 21 2HZ LYS 2 2HZ LYS 2 -1.411 15.869 1.129 22 3HZ LYS 2 3HZ LYS 2 -2.626 14.992 1.911 23 H PHE 3 H PHE 3 -5.248 12.186 2.138 24 HA PHE 3 HA PHE 3 -5.965 11.935 -0.664 25 1HB PHE 3 1HB PHE 3 -3.758 10.959 1.082 26 2HB PHE 3 2HB PHE 3 -4.143 10.025 -0.349 27 HD1 PHE 3 HD1 PHE 3 -4.055 11.155 -2.598 28 HD2 PHE 3 HD2 PHE 3 -2.525 12.945 0.946 29 HE1 PHE 3 HE1 PHE 3 -2.710 12.698 -3.964 30 HE2 PHE 3 HE2 PHE 3 -1.177 14.491 -0.412 31 HZ PHE 3 HZ PHE 3 -1.269 14.370 -2.870 32 H ALA 4 H ALA 4 -5.982 9.549 -1.467 33 HA ALA 4 HA ALA 4 -7.421 7.752 0.324 34 1HB ALA 4 1HB ALA 4 -9.244 8.960 -0.634 35 2HB ALA 4 2HB ALA 4 -9.189 7.376 -1.406 36 3HB ALA 4 3HB ALA 4 -8.575 8.794 -2.257 37 H CYS 5 H CYS 5 -7.109 5.600 -0.146 38 HA CYS 5 HA CYS 5 -5.007 4.993 -2.027 39 1HB CYS 5 1HB CYS 5 -5.305 3.953 0.297 40 2HB CYS 5 2HB CYS 5 -6.572 2.977 -0.428 41 HG CYS 5 HG CYS 5 -4.682 1.455 -0.848 42 HA PRO 6 HA PRO 6 -7.724 3.797 -5.338 43 1HB PRO 6 1HB PRO 6 -5.925 2.556 -6.922 44 2HB PRO 6 2HB PRO 6 -5.948 4.311 -6.717 45 1HG PRO 6 1HG PRO 6 -4.180 2.275 -5.421 46 2HG PRO 6 2HG PRO 6 -3.759 3.865 -6.083 47 1HD PRO 6 1HD PRO 6 -4.127 3.392 -3.419 48 2HD PRO 6 2HD PRO 6 -4.420 4.969 -4.183 49 H GLU 7 H GLU 7 -5.912 1.548 -3.406 50 HA GLU 7 HA GLU 7 -7.307 -0.761 -4.529 51 1HB GLU 7 1HB GLU 7 -4.847 -0.334 -2.932 52 2HB GLU 7 2HB GLU 7 -5.744 -1.806 -2.600 53 1HG GLU 7 1HG GLU 7 -5.541 -2.514 -4.883 54 2HG GLU 7 2HG GLU 7 -4.809 -0.975 -5.335 55 H CYS 8 H CYS 8 -6.764 0.864 -1.406 56 HA CYS 8 HA CYS 8 -9.184 -0.470 -0.367 57 1HB CYS 8 1HB CYS 8 -8.199 -0.514 1.811 58 2HB CYS 8 2HB CYS 8 -7.021 -1.173 0.689 59 HG CYS 8 HG CYS 8 -5.459 0.630 1.260 60 HA PRO 9 HA PRO 9 -10.689 3.550 0.701 61 1HB PRO 9 1HB PRO 9 -12.285 3.029 2.780 62 2HB PRO 9 2HB PRO 9 -12.584 2.316 1.191 63 1HG PRO 9 1HG PRO 9 -11.452 1.071 3.641 64 2HG PRO 9 2HG PRO 9 -12.450 0.349 2.369 65 1HD PRO 9 1HD PRO 9 -9.634 0.185 2.619 66 2HD PRO 9 2HD PRO 9 -10.608 -0.336 1.236 67 H LYS 10 H LYS 10 -8.012 3.301 1.786 68 HA LYS 10 HA LYS 10 -8.212 4.334 4.502 69 1HB LYS 10 1HB LYS 10 -5.761 3.760 2.832 70 2HB LYS 10 2HB LYS 10 -5.749 4.267 4.493 71 1HG LYS 10 1HG LYS 10 -7.179 1.779 3.661 72 2HG LYS 10 2HG LYS 10 -5.448 1.783 4.003 73 1HD LYS 10 1HD LYS 10 -6.128 1.334 6.105 74 2HD LYS 10 2HD LYS 10 -6.379 3.080 6.182 75 1HE LYS 10 1HE LYS 10 -8.680 2.886 5.895 76 2HE LYS 10 2HE LYS 10 -8.554 1.273 5.197 77 1HZ LYS 10 1HZ LYS 10 -9.438 1.208 7.445 78 2HZ LYS 10 2HZ LYS 10 -8.048 1.964 8.042 79 3HZ LYS 10 3HZ LYS 10 -7.945 0.415 7.370 80 H ARG 11 H ARG 11 -7.279 6.313 5.133 81 HA ARG 11 HA ARG 11 -6.874 8.309 3.025 82 1HB ARG 11 1HB ARG 11 -8.316 9.239 5.435 83 2HB ARG 11 2HB ARG 11 -8.499 9.715 3.759 84 1HG ARG 11 1HG ARG 11 -9.468 7.045 4.697 85 2HG ARG 11 2HG ARG 11 -10.438 8.499 4.930 86 1HD ARG 11 1HD ARG 11 -10.493 8.911 2.566 87 2HD ARG 11 2HD ARG 11 -9.354 7.600 2.267 88 HE ARG 11 HE ARG 11 -11.890 6.911 3.532 89 1HH1 ARG 11 1HH1 ARG 11 -9.946 6.953 0.616 90 2HH1 ARG 11 2HH1 ARG 11 -10.929 5.787 -0.201 91 1HH2 ARG 11 1HH2 ARG 11 -13.179 5.379 2.447 92 2HH2 ARG 11 2HH2 ARG 11 -12.764 4.894 0.837 93 H PHE 12 H PHE 12 -5.202 9.678 3.397 94 HA PHE 12 HA PHE 12 -4.104 9.836 6.119 95 1HB PHE 12 1HB PHE 12 -2.412 9.439 3.675 96 2HB PHE 12 2HB PHE 12 -1.848 9.511 5.329 97 HD1 PHE 12 HD1 PHE 12 -4.351 7.564 3.351 98 HD2 PHE 12 HD2 PHE 12 -1.237 7.498 6.249 99 HE1 PHE 12 HE1 PHE 12 -4.538 5.131 3.485 100 HE2 PHE 12 HE2 PHE 12 -1.425 5.048 6.390 101 HZ PHE 12 HZ PHE 12 -3.078 3.862 4.992 102 H MET 13 H MET 13 -3.023 11.731 6.644 103 HA MET 13 HA MET 13 -3.774 14.045 5.109 104 1HB MET 13 1HB MET 13 -2.053 13.805 7.587 105 2HB MET 13 2HB MET 13 -2.629 15.316 6.897 106 1HG MET 13 1HG MET 13 -4.645 15.109 7.826 107 2HG MET 13 2HG MET 13 -4.759 13.395 7.429 108 1HE MET 13 1HE MET 13 -3.391 11.557 10.431 109 2HE MET 13 2HE MET 13 -2.510 11.856 8.933 110 3HE MET 13 3HE MET 13 -4.238 11.507 8.885 111 H ARG 14 H ARG 14 -0.957 12.040 5.433 112 HA ARG 14 HA ARG 14 0.712 13.973 3.994 113 1HB ARG 14 1HB ARG 14 1.426 11.362 5.350 114 2HB ARG 14 2HB ARG 14 2.571 12.406 4.522 115 1HG ARG 14 1HG ARG 14 2.894 13.039 6.695 116 2HG ARG 14 2HG ARG 14 1.681 14.215 6.186 117 1HD ARG 14 1HD ARG 14 0.475 13.554 7.942 118 2HD ARG 14 2HD ARG 14 0.187 12.052 7.060 119 HE ARG 14 HE ARG 14 1.603 10.970 8.496 120 1HH1 ARG 14 1HH1 ARG 14 2.039 14.421 8.897 121 2HH1 ARG 14 2HH1 ARG 14 3.050 14.255 10.292 122 1HH2 ARG 14 1HH2 ARG 14 2.935 10.758 10.336 123 2HH2 ARG 14 2HH2 ARG 14 3.561 12.176 11.109 124 H SER 15 H SER 15 1.910 13.292 2.121 125 HA SER 15 HA SER 15 0.382 11.446 0.460 126 1HB SER 15 1HB SER 15 0.879 12.791 -1.215 127 2HB SER 15 2HB SER 15 1.606 13.890 -0.047 128 HG SER 15 HG SER 15 3.284 13.528 -1.317 129 H ASP 16 H ASP 16 3.714 11.944 1.565 130 HA ASP 16 HA ASP 16 4.776 9.640 0.281 131 1HB ASP 16 1HB ASP 16 6.609 9.996 2.167 132 2HB ASP 16 2HB ASP 16 6.491 11.082 0.790 133 H HIS 17 H HIS 17 3.767 10.262 3.642 134 HA HIS 17 HA HIS 17 4.372 7.706 4.643 135 1HB HIS 17 1HB HIS 17 2.473 9.862 5.533 136 2HB HIS 17 2HB HIS 17 2.554 8.321 6.374 137 HD1 HIS 17 HD1 HIS 17 3.375 9.754 8.447 138 HD2 HIS 17 HD2 HIS 17 5.972 9.643 5.204 139 HE1 HIS 17 HE1 HIS 17 5.574 10.586 9.319 140 HE2 HIS 17 HE2 HIS 17 7.114 10.585 7.327 141 H LEU 18 H LEU 18 1.457 8.987 3.095 142 HA LEU 18 HA LEU 18 -0.258 6.828 3.560 143 1HB LEU 18 1HB LEU 18 -0.874 9.050 2.606 144 2HB LEU 18 2HB LEU 18 -0.163 8.554 1.091 145 HG LEU 18 HG LEU 18 -2.327 6.902 2.323 146 1HD1 LEU 18 1HD1 LEU 18 -2.565 9.580 1.095 147 2HD1 LEU 18 2HD1 LEU 18 -3.549 8.816 2.341 148 3HD1 LEU 18 3HD1 LEU 18 -3.764 8.365 0.650 149 1HD2 LEU 18 1HD2 LEU 18 -1.899 5.743 0.481 150 2HD2 LEU 18 2HD2 LEU 18 -0.893 7.031 -0.185 151 3HD2 LEU 18 3HD2 LEU 18 -2.642 7.073 -0.413 152 H THR 19 H THR 19 2.003 7.452 0.883 153 HA THR 19 HA THR 19 1.390 5.135 -0.565 154 HB THR 19 HB THR 19 4.061 6.559 -0.518 155 HG1 THR 19 HG1 THR 19 2.899 8.179 -1.185 156 1HG2 THR 19 1HG2 THR 19 4.131 5.912 -2.911 157 2HG2 THR 19 2HG2 THR 19 2.709 4.904 -2.633 158 3HG2 THR 19 3HG2 THR 19 4.219 4.549 -1.795 159 H LEU 20 H LEU 20 3.534 5.723 2.155 160 HA LEU 20 HA LEU 20 5.074 3.382 2.068 161 1HB LEU 20 1HB LEU 20 5.334 5.414 3.598 162 2HB LEU 20 2HB LEU 20 4.096 4.689 4.603 163 HG LEU 20 HG LEU 20 5.612 2.640 4.738 164 1HD1 LEU 20 1HD1 LEU 20 8.003 3.072 4.369 165 2HD1 LEU 20 2HD1 LEU 20 7.599 4.638 3.665 166 3HD1 LEU 20 3HD1 LEU 20 7.073 3.153 2.872 167 1HD2 LEU 20 1HD2 LEU 20 6.553 5.240 5.941 168 2HD2 LEU 20 2HD2 LEU 20 6.961 3.626 6.522 169 3HD2 LEU 20 3HD2 LEU 20 5.294 4.192 6.591 170 H HIS 21 H HIS 21 1.816 4.013 3.206 171 HA HIS 21 HA HIS 21 1.352 1.583 4.558 172 1HB HIS 21 1HB HIS 21 -0.576 2.632 5.014 173 2HB HIS 21 2HB HIS 21 -0.083 3.955 3.998 174 HD1 HIS 21 HD1 HIS 21 -2.091 4.570 2.647 175 HD2 HIS 21 HD2 HIS 21 -1.572 0.468 2.872 176 HE1 HIS 21 HE1 HIS 21 -3.964 3.531 1.311 177 H ILE 22 H ILE 22 0.663 2.646 1.276 178 HA ILE 22 HA ILE 22 -0.607 0.301 0.430 179 HB ILE 22 HB ILE 22 0.882 2.113 -1.454 180 1HG1 ILE 22 1HG1 ILE 22 -1.946 2.691 -0.799 181 2HG1 ILE 22 2HG1 ILE 22 -0.785 3.129 0.433 182 1HG2 ILE 22 1HG2 ILE 22 -0.570 -0.114 -1.954 183 2HG2 ILE 22 2HG2 ILE 22 -0.422 1.236 -3.078 184 3HG2 ILE 22 3HG2 ILE 22 -1.830 1.118 -2.020 185 1HD1 ILE 22 1HD1 ILE 22 0.315 4.092 -1.906 186 2HD1 ILE 22 2HD1 ILE 22 -0.528 5.019 -0.665 187 3HD1 ILE 22 3HD1 ILE 22 -1.412 4.410 -2.062 188 H LEU 23 H LEU 23 2.593 0.536 1.312 189 HA LEU 23 HA LEU 23 3.838 -1.038 -0.689 190 1HB LEU 23 1HB LEU 23 4.575 0.137 1.823 191 2HB LEU 23 2HB LEU 23 5.097 -1.534 1.793 192 HG LEU 23 HG LEU 23 6.116 -0.931 -0.519 193 1HD1 LEU 23 1HD1 LEU 23 5.914 1.810 0.720 194 2HD1 LEU 23 2HD1 LEU 23 5.021 1.257 -0.697 195 3HD1 LEU 23 3HD1 LEU 23 6.778 1.387 -0.759 196 1HD2 LEU 23 1HD2 LEU 23 7.350 0.232 1.973 197 2HD2 LEU 23 2HD2 LEU 23 8.189 -0.328 0.526 198 3HD2 LEU 23 3HD2 LEU 23 7.354 -1.483 1.565 199 H LEU 24 H LEU 24 2.011 -1.793 2.250 200 HA LEU 24 HA LEU 24 2.641 -4.568 2.274 201 1HB LEU 24 1HB LEU 24 0.334 -4.652 3.561 202 2HB LEU 24 2HB LEU 24 1.815 -4.102 4.309 203 HG LEU 24 HG LEU 24 1.072 -1.746 3.769 204 1HD1 LEU 24 1HD1 LEU 24 -1.421 -1.502 3.525 205 2HD1 LEU 24 2HD1 LEU 24 -1.477 -3.220 3.129 206 3HD1 LEU 24 3HD1 LEU 24 -0.588 -2.106 2.092 207 1HD2 LEU 24 1HD2 LEU 24 0.802 -3.183 5.939 208 2HD2 LEU 24 2HD2 LEU 24 -0.913 -3.024 5.564 209 3HD2 LEU 24 3HD2 LEU 24 0.073 -1.583 5.809 210 H HIS 25 H HIS 25 0.329 -2.685 0.479 211 HA HIS 25 HA HIS 25 -1.568 -4.603 -0.187 212 1HB HIS 25 1HB HIS 25 -0.553 -2.126 -1.483 213 2HB HIS 25 2HB HIS 25 -1.485 -3.227 -2.487 214 HD1 HIS 25 HD1 HIS 25 -3.845 -4.013 -0.986 215 HD2 HIS 25 HD2 HIS 25 -2.150 -0.260 -0.452 216 HE1 HIS 25 HE1 HIS 25 -5.657 -2.547 -0.005 217 H GLU 26 H GLU 26 1.582 -3.940 -1.669 218 HA GLU 26 HA GLU 26 1.291 -5.968 -3.681 219 1HB GLU 26 1HB GLU 26 2.687 -4.078 -4.181 220 2HB GLU 26 2HB GLU 26 3.657 -4.341 -2.740 221 1HG GLU 26 1HG GLU 26 3.535 -6.529 -4.738 222 2HG GLU 26 2HG GLU 26 4.461 -5.087 -5.148 223 H ASN 27 H ASN 27 3.401 -5.645 -0.811 224 HA ASN 27 HA ASN 27 3.917 -8.521 -0.888 225 1HB ASN 27 1HB ASN 27 5.695 -6.633 -0.517 226 2HB ASN 27 2HB ASN 27 5.114 -6.670 1.146 227 1HD2 ASN 27 1HD2 ASN 27 5.442 -8.530 2.395 228 2HD2 ASN 27 2HD2 ASN 27 6.607 -9.725 1.950 229 H LYS 28 H LYS 28 2.179 -9.567 -0.062 230 HA LYS 28 HA LYS 28 1.624 -9.155 2.774 231 1HB LYS 28 1HB LYS 28 -0.038 -7.873 1.245 232 2HB LYS 28 2HB LYS 28 -0.695 -9.464 0.889 233 1HG LYS 28 1HG LYS 28 -1.985 -8.457 2.635 234 2HG LYS 28 2HG LYS 28 -1.070 -9.807 3.309 235 1HD LYS 28 1HD LYS 28 0.481 -7.402 3.493 236 2HD LYS 28 2HD LYS 28 -1.117 -7.131 4.190 237 1HE LYS 28 1HE LYS 28 -0.765 -8.576 5.899 238 2HE LYS 28 2HE LYS 28 0.211 -9.668 4.917 239 1HZ LYS 28 1HZ LYS 28 1.493 -8.553 6.668 240 2HZ LYS 28 2HZ LYS 28 1.144 -7.051 5.973 241 3HZ LYS 28 3HZ LYS 28 2.074 -8.181 5.123 242 H LYS 29 H LYS 29 1.573 -11.036 3.815 243 HA LYS 29 HA LYS 29 1.125 -13.489 2.243 244 1HB LYS 29 1HB LYS 29 2.916 -12.900 4.580 245 2HB LYS 29 2HB LYS 29 2.394 -14.547 4.252 246 1HG LYS 29 1HG LYS 29 3.636 -14.714 2.347 247 2HG LYS 29 2HG LYS 29 3.566 -12.982 2.017 248 1HD LYS 29 1HD LYS 29 5.316 -12.503 3.431 249 2HD LYS 29 2HD LYS 29 5.035 -13.928 4.434 250 1HE LYS 29 1HE LYS 29 5.894 -14.282 1.597 251 2HE LYS 29 2HE LYS 29 7.089 -13.818 2.808 252 1HZ LYS 29 1HZ LYS 29 5.354 -16.228 2.906 253 2HZ LYS 29 2HZ LYS 29 6.463 -15.776 4.101 254 3HZ LYS 29 3HZ LYS 29 7.010 -16.205 2.561 Start of MODEL 42 1 H TYR 1 H TYR 1 -6.868 13.839 6.284 2 HA TYR 1 HA TYR 1 -7.133 11.160 5.128 3 1HB TYR 1 1HB TYR 1 -9.578 11.725 4.884 4 2HB TYR 1 2HB TYR 1 -9.063 11.388 6.532 5 HD1 TYR 1 HD1 TYR 1 -10.373 13.906 4.248 6 HD2 TYR 1 HD2 TYR 1 -8.903 13.214 8.180 7 HE1 TYR 1 HE1 TYR 1 -11.330 16.050 4.978 8 HE2 TYR 1 HE2 TYR 1 -9.857 15.356 8.920 9 HH TYR 1 HH TYR 1 -12.087 16.895 7.706 10 H LYS 2 H LYS 2 -5.425 13.195 4.241 11 HA LYS 2 HA LYS 2 -6.708 14.831 2.273 12 1HB LYS 2 1HB LYS 2 -4.585 15.464 3.388 13 2HB LYS 2 2HB LYS 2 -3.778 14.137 2.563 14 1HG LYS 2 1HG LYS 2 -3.837 15.185 0.520 15 2HG LYS 2 2HG LYS 2 -5.233 16.177 0.949 16 1HD LYS 2 1HD LYS 2 -3.799 17.452 2.510 17 2HD LYS 2 2HD LYS 2 -2.413 16.500 1.974 18 1HE LYS 2 1HE LYS 2 -2.542 17.385 -0.223 19 2HE LYS 2 2HE LYS 2 -4.124 18.100 0.086 20 1HZ LYS 2 1HZ LYS 2 -1.574 18.930 1.366 21 2HZ LYS 2 2HZ LYS 2 -3.091 19.617 1.659 22 3HZ LYS 2 3HZ LYS 2 -2.378 19.764 0.133 23 H PHE 3 H PHE 3 -4.447 12.066 1.993 24 HA PHE 3 HA PHE 3 -5.203 11.724 -0.794 25 1HB PHE 3 1HB PHE 3 -2.976 10.842 0.933 26 2HB PHE 3 2HB PHE 3 -3.491 9.680 -0.271 27 HD1 PHE 3 HD1 PHE 3 -2.681 9.819 -2.431 28 HD2 PHE 3 HD2 PHE 3 -2.518 13.250 0.083 29 HE1 PHE 3 HE1 PHE 3 -1.386 11.012 -4.149 30 HE2 PHE 3 HE2 PHE 3 -1.222 14.449 -1.630 31 HZ PHE 3 HZ PHE 3 -0.656 13.330 -3.749 32 H ALA 4 H ALA 4 -5.486 9.382 -1.540 33 HA ALA 4 HA ALA 4 -6.905 7.689 0.362 34 1HB ALA 4 1HB ALA 4 -8.672 9.110 -0.498 35 2HB ALA 4 2HB ALA 4 -8.867 7.468 -1.110 36 3HB ALA 4 3HB ALA 4 -8.207 8.726 -2.155 37 H CYS 5 H CYS 5 -6.850 5.518 -0.156 38 HA CYS 5 HA CYS 5 -4.954 4.762 -2.206 39 1HB CYS 5 1HB CYS 5 -5.209 3.748 0.179 40 2HB CYS 5 2HB CYS 5 -6.498 2.799 -0.542 41 HG CYS 5 HG CYS 5 -4.833 1.336 -1.584 42 HA PRO 6 HA PRO 6 -8.074 3.765 -5.219 43 1HB PRO 6 1HB PRO 6 -6.516 2.505 -7.014 44 2HB PRO 6 2HB PRO 6 -6.425 4.251 -6.758 45 1HG PRO 6 1HG PRO 6 -4.636 2.087 -5.721 46 2HG PRO 6 2HG PRO 6 -4.206 3.678 -6.378 47 1HD PRO 6 1HD PRO 6 -4.326 3.118 -3.700 48 2HD PRO 6 2HD PRO 6 -4.584 4.738 -4.383 49 H GLU 7 H GLU 7 -6.212 1.425 -3.476 50 HA GLU 7 HA GLU 7 -7.796 -0.809 -4.515 51 1HB GLU 7 1HB GLU 7 -5.104 -0.555 -3.749 52 2HB GLU 7 2HB GLU 7 -5.855 -1.545 -2.506 53 1HG GLU 7 1HG GLU 7 -6.772 -2.973 -4.374 54 2HG GLU 7 2HG GLU 7 -5.706 -2.079 -5.456 55 H CYS 8 H CYS 8 -6.894 0.735 -1.431 56 HA CYS 8 HA CYS 8 -9.219 -0.587 -0.184 57 1HB CYS 8 1HB CYS 8 -8.051 -0.606 1.905 58 2HB CYS 8 2HB CYS 8 -6.979 -1.283 0.691 59 HG CYS 8 HG CYS 8 -5.400 0.597 0.995 60 HA PRO 9 HA PRO 9 -10.663 3.419 1.000 61 1HB PRO 9 1HB PRO 9 -12.112 2.870 3.173 62 2HB PRO 9 2HB PRO 9 -12.509 2.159 1.605 63 1HG PRO 9 1HG PRO 9 -11.195 0.920 3.968 64 2HG PRO 9 2HG PRO 9 -12.277 0.191 2.770 65 1HD PRO 9 1HD PRO 9 -9.451 0.049 2.816 66 2HD PRO 9 2HD PRO 9 -10.518 -0.472 1.501 67 H LYS 10 H LYS 10 -7.940 3.299 1.837 68 HA LYS 10 HA LYS 10 -7.960 4.292 4.585 69 1HB LYS 10 1HB LYS 10 -5.596 3.770 2.771 70 2HB LYS 10 2HB LYS 10 -5.520 4.208 4.451 71 1HG LYS 10 1HG LYS 10 -7.080 1.793 3.782 72 2HG LYS 10 2HG LYS 10 -5.325 1.700 3.628 73 1HD LYS 10 1HD LYS 10 -5.732 1.010 5.821 74 2HD LYS 10 2HD LYS 10 -5.261 2.701 5.990 75 1HE LYS 10 1HE LYS 10 -7.185 2.191 7.395 76 2HE LYS 10 2HE LYS 10 -7.616 3.346 6.137 77 1HZ LYS 10 1HZ LYS 10 -8.082 0.444 5.795 78 2HZ LYS 10 2HZ LYS 10 -8.800 1.732 4.964 79 3HZ LYS 10 3HZ LYS 10 -9.210 1.434 6.578 80 H ARG 11 H ARG 11 -6.921 6.288 5.125 81 HA ARG 11 HA ARG 11 -6.542 8.234 2.988 82 1HB ARG 11 1HB ARG 11 -8.047 9.877 4.054 83 2HB ARG 11 2HB ARG 11 -8.911 8.459 3.478 84 1HG ARG 11 1HG ARG 11 -8.674 7.596 5.892 85 2HG ARG 11 2HG ARG 11 -8.297 9.273 6.291 86 1HD ARG 11 1HD ARG 11 -10.418 9.977 5.930 87 2HD ARG 11 2HD ARG 11 -10.683 8.844 4.607 88 HE ARG 11 HE ARG 11 -11.242 8.424 7.405 89 1HH1 ARG 11 1HH1 ARG 11 -10.698 6.878 4.310 90 2HH1 ARG 11 2HH1 ARG 11 -11.522 5.422 4.755 91 1HH2 ARG 11 1HH2 ARG 11 -12.327 6.506 7.984 92 2HH2 ARG 11 2HH2 ARG 11 -12.449 5.210 6.841 93 H PHE 12 H PHE 12 -4.889 9.584 3.420 94 HA PHE 12 HA PHE 12 -4.043 9.897 6.220 95 1HB PHE 12 1HB PHE 12 -2.120 9.472 3.967 96 2HB PHE 12 2HB PHE 12 -1.748 9.509 5.672 97 HD1 PHE 12 HD1 PHE 12 -4.097 7.644 3.460 98 HD2 PHE 12 HD2 PHE 12 -1.203 7.447 6.566 99 HE1 PHE 12 HE1 PHE 12 -4.360 5.218 3.531 100 HE2 PHE 12 HE2 PHE 12 -1.465 4.997 6.645 101 HZ PHE 12 HZ PHE 12 -3.055 3.881 5.112 102 H MET 13 H MET 13 -3.169 11.844 6.782 103 HA MET 13 HA MET 13 -3.880 14.107 5.246 104 1HB MET 13 1HB MET 13 -2.159 13.758 7.695 105 2HB MET 13 2HB MET 13 -2.428 15.334 6.962 106 1HG MET 13 1HG MET 13 -4.774 15.207 7.380 107 2HG MET 13 2HG MET 13 -4.641 13.529 7.904 108 1HE MET 13 1HE MET 13 -5.052 13.506 10.974 109 2HE MET 13 2HE MET 13 -6.058 14.074 9.641 110 3HE MET 13 3HE MET 13 -5.767 15.117 11.032 111 H ARG 14 H ARG 14 -0.937 12.235 5.491 112 HA ARG 14 HA ARG 14 0.519 14.186 3.858 113 1HB ARG 14 1HB ARG 14 1.373 11.830 5.519 114 2HB ARG 14 2HB ARG 14 2.449 12.527 4.323 115 1HG ARG 14 1HG ARG 14 3.039 13.520 6.365 116 2HG ARG 14 2HG ARG 14 2.109 14.742 5.497 117 1HD ARG 14 1HD ARG 14 0.728 14.897 7.229 118 2HD ARG 14 2HD ARG 14 0.265 13.210 6.992 119 HE ARG 14 HE ARG 14 1.520 12.650 8.813 120 1HH1 ARG 14 1HH1 ARG 14 2.487 15.851 7.769 121 2HH1 ARG 14 2HH1 ARG 14 3.516 16.118 9.134 122 1HH2 ARG 14 1HH2 ARG 14 2.876 13.010 10.610 123 2HH2 ARG 14 2HH2 ARG 14 3.738 14.507 10.747 124 H SER 15 H SER 15 1.823 13.361 2.055 125 HA SER 15 HA SER 15 0.255 11.523 0.442 126 1HB SER 15 1HB SER 15 0.768 13.214 -0.935 127 2HB SER 15 2HB SER 15 2.260 13.625 -0.094 128 HG SER 15 HG SER 15 1.810 11.835 -2.179 129 H ASP 16 H ASP 16 3.595 11.833 1.623 130 HA ASP 16 HA ASP 16 4.498 9.384 0.506 131 1HB ASP 16 1HB ASP 16 5.796 11.486 1.527 132 2HB ASP 16 2HB ASP 16 5.812 10.444 2.944 133 H HIS 17 H HIS 17 3.022 10.263 3.572 134 HA HIS 17 HA HIS 17 3.568 7.895 4.990 135 1HB HIS 17 1HB HIS 17 1.464 10.020 5.220 136 2HB HIS 17 2HB HIS 17 1.367 8.567 6.202 137 HD1 HIS 17 HD1 HIS 17 1.626 10.500 8.127 138 HD2 HIS 17 HD2 HIS 17 4.995 9.589 5.873 139 HE1 HIS 17 HE1 HIS 17 3.573 11.391 9.438 140 HE2 HIS 17 HE2 HIS 17 5.592 10.923 8.006 141 H LEU 18 H LEU 18 0.606 8.851 3.206 142 HA LEU 18 HA LEU 18 -0.743 6.417 3.489 143 1HB LEU 18 1HB LEU 18 -1.764 8.509 2.678 144 2HB LEU 18 2HB LEU 18 -0.880 8.361 1.185 145 HG LEU 18 HG LEU 18 -2.743 6.183 2.055 146 1HD1 LEU 18 1HD1 LEU 18 -4.566 7.394 1.753 147 2HD1 LEU 18 2HD1 LEU 18 -3.989 7.936 0.179 148 3HD1 LEU 18 3HD1 LEU 18 -3.551 8.832 1.635 149 1HD2 LEU 18 1HD2 LEU 18 -2.955 6.347 -0.599 150 2HD2 LEU 18 2HD2 LEU 18 -1.717 5.390 0.218 151 3HD2 LEU 18 3HD2 LEU 18 -1.329 7.001 -0.398 152 H THR 19 H THR 19 1.479 7.561 0.971 153 HA THR 19 HA THR 19 1.281 5.324 -0.685 154 HB THR 19 HB THR 19 3.594 7.238 -0.305 155 HG1 THR 19 HG1 THR 19 1.392 7.189 -2.084 156 1HG2 THR 19 1HG2 THR 19 4.179 6.603 -2.655 157 2HG2 THR 19 2HG2 THR 19 3.099 5.220 -2.473 158 3HG2 THR 19 3HG2 THR 19 4.515 5.376 -1.434 159 H LEU 20 H LEU 20 3.191 5.936 2.207 160 HA LEU 20 HA LEU 20 4.956 3.731 1.958 161 1HB LEU 20 1HB LEU 20 5.169 5.703 3.543 162 2HB LEU 20 2HB LEU 20 3.957 4.927 4.543 163 HG LEU 20 HG LEU 20 6.235 3.199 3.856 164 1HD1 LEU 20 1HD1 LEU 20 6.649 5.598 5.636 165 2HD1 LEU 20 2HD1 LEU 20 7.407 5.332 4.065 166 3HD1 LEU 20 3HD1 LEU 20 7.776 4.259 5.415 167 1HD2 LEU 20 1HD2 LEU 20 4.920 3.948 6.466 168 2HD2 LEU 20 2HD2 LEU 20 6.060 2.627 6.212 169 3HD2 LEU 20 3HD2 LEU 20 4.473 2.579 5.445 170 H HIS 21 H HIS 21 1.723 4.132 3.265 171 HA HIS 21 HA HIS 21 1.412 1.673 4.557 172 1HB HIS 21 1HB HIS 21 -0.610 2.550 4.994 173 2HB HIS 21 2HB HIS 21 -0.149 3.944 4.057 174 HD1 HIS 21 HD1 HIS 21 -2.159 4.535 2.691 175 HD2 HIS 21 HD2 HIS 21 -1.443 0.464 2.695 176 HE1 HIS 21 HE1 HIS 21 -3.907 3.491 1.197 177 H ILE 22 H ILE 22 0.547 2.663 1.285 178 HA ILE 22 HA ILE 22 -0.644 0.352 0.414 179 HB ILE 22 HB ILE 22 1.031 2.039 -1.433 180 1HG1 ILE 22 1HG1 ILE 22 -1.839 2.656 -0.973 181 2HG1 ILE 22 2HG1 ILE 22 -0.719 3.194 0.258 182 1HG2 ILE 22 1HG2 ILE 22 -0.314 -0.172 -2.032 183 2HG2 ILE 22 2HG2 ILE 22 -0.266 1.209 -3.126 184 3HG2 ILE 22 3HG2 ILE 22 -1.663 0.965 -2.072 185 1HD1 ILE 22 1HD1 ILE 22 0.514 4.013 -2.015 186 2HD1 ILE 22 2HD1 ILE 22 -0.539 5.004 -1.008 187 3HD1 ILE 22 3HD1 ILE 22 -1.189 4.193 -2.431 188 H LEU 23 H LEU 23 2.662 0.658 1.206 189 HA LEU 23 HA LEU 23 3.893 -1.120 -0.546 190 1HB LEU 23 1HB LEU 23 4.356 -0.451 2.346 191 2HB LEU 23 2HB LEU 23 5.308 -1.695 1.559 192 HG LEU 23 HG LEU 23 5.134 1.131 0.524 193 1HD1 LEU 23 1HD1 LEU 23 7.326 1.486 1.565 194 2HD1 LEU 23 2HD1 LEU 23 7.206 -0.093 2.342 195 3HD1 LEU 23 3HD1 LEU 23 6.069 1.187 2.765 196 1HD2 LEU 23 1HD2 LEU 23 7.029 -1.151 -0.022 197 2HD2 LEU 23 2HD2 LEU 23 7.202 0.486 -0.654 198 3HD2 LEU 23 3HD2 LEU 23 5.819 -0.501 -1.128 199 H LEU 24 H LEU 24 1.734 -1.696 2.179 200 HA LEU 24 HA LEU 24 2.180 -4.447 2.538 201 1HB LEU 24 1HB LEU 24 -0.191 -4.477 3.424 202 2HB LEU 24 2HB LEU 24 0.933 -3.391 4.214 203 HG LEU 24 HG LEU 24 -0.201 -1.740 2.351 204 1HD1 LEU 24 1HD1 LEU 24 -2.460 -3.412 3.412 205 2HD1 LEU 24 2HD1 LEU 24 -1.806 -3.587 1.784 206 3HD1 LEU 24 3HD1 LEU 24 -2.542 -2.062 2.279 207 1HD2 LEU 24 1HD2 LEU 24 -1.196 -0.668 4.185 208 2HD2 LEU 24 2HD2 LEU 24 0.219 -1.489 4.845 209 3HD2 LEU 24 3HD2 LEU 24 -1.388 -2.181 5.071 210 H HIS 25 H HIS 25 -0.035 -2.731 0.354 211 HA HIS 25 HA HIS 25 -1.479 -4.881 -0.641 212 1HB HIS 25 1HB HIS 25 -0.615 -2.300 -1.942 213 2HB HIS 25 2HB HIS 25 -1.651 -3.463 -2.763 214 HD1 HIS 25 HD1 HIS 25 -3.895 -4.104 -1.150 215 HD2 HIS 25 HD2 HIS 25 -2.015 -0.435 -0.639 216 HE1 HIS 25 HE1 HIS 25 -5.564 -2.605 0.017 217 H GLU 26 H GLU 26 1.675 -3.636 -1.686 218 HA GLU 26 HA GLU 26 1.994 -5.399 -3.881 219 1HB GLU 26 1HB GLU 26 3.286 -3.241 -3.370 220 2HB GLU 26 2HB GLU 26 4.259 -4.218 -2.278 221 1HG GLU 26 1HG GLU 26 5.486 -4.171 -4.249 222 2HG GLU 26 2HG GLU 26 4.673 -5.736 -4.290 223 H ASN 27 H ASN 27 3.114 -5.531 -0.509 224 HA ASN 27 HA ASN 27 3.196 -8.429 -0.649 225 1HB ASN 27 1HB ASN 27 5.523 -8.380 0.459 226 2HB ASN 27 2HB ASN 27 5.437 -8.119 -1.279 227 1HD2 ASN 27 1HD2 ASN 27 5.904 -6.097 -2.118 228 2HD2 ASN 27 2HD2 ASN 27 6.662 -4.858 -1.184 229 H LYS 28 H LYS 28 2.224 -9.174 1.111 230 HA LYS 28 HA LYS 28 2.436 -7.621 3.608 231 1HB LYS 28 1HB LYS 28 0.094 -8.323 2.108 232 2HB LYS 28 2HB LYS 28 0.042 -9.139 3.664 233 1HG LYS 28 1HG LYS 28 0.811 -6.596 4.346 234 2HG LYS 28 2HG LYS 28 -0.311 -6.326 3.013 235 1HD LYS 28 1HD LYS 28 -1.651 -6.323 4.942 236 2HD LYS 28 2HD LYS 28 -1.886 -7.920 4.229 237 1HE LYS 28 1HE LYS 28 -1.600 -8.242 6.564 238 2HE LYS 28 2HE LYS 28 -0.107 -8.767 5.788 239 1HZ LYS 28 1HZ LYS 28 0.996 -6.821 6.477 240 2HZ LYS 28 2HZ LYS 28 0.144 -7.356 7.837 241 3HZ LYS 28 3HZ LYS 28 -0.443 -6.054 6.932 242 H LYS 29 H LYS 29 1.144 -10.819 2.670 243 HA LYS 29 HA LYS 29 1.247 -12.819 3.788 244 1HB LYS 29 1HB LYS 29 3.706 -13.619 3.892 245 2HB LYS 29 2HB LYS 29 3.007 -13.235 2.327 246 1HG LYS 29 1HG LYS 29 4.091 -11.024 2.412 247 2HG LYS 29 2HG LYS 29 4.835 -11.471 3.948 248 1HD LYS 29 1HD LYS 29 5.198 -13.136 1.474 249 2HD LYS 29 2HD LYS 29 6.230 -11.745 1.816 250 1HE LYS 29 1HE LYS 29 7.500 -13.143 3.001 251 2HE LYS 29 2HE LYS 29 6.210 -13.132 4.202 252 1HZ LYS 29 1HZ LYS 29 6.839 -15.383 3.587 253 2HZ LYS 29 2HZ LYS 29 6.464 -15.074 1.967 254 3HZ LYS 29 3HZ LYS 29 5.240 -15.067 3.135 Start of MODEL 43 1 H TYR 1 H TYR 1 -6.837 15.007 5.808 2 HA TYR 1 HA TYR 1 -5.700 12.442 4.909 3 1HB TYR 1 1HB TYR 1 -8.430 13.180 6.000 4 2HB TYR 1 2HB TYR 1 -7.945 11.582 5.448 5 HD1 TYR 1 HD1 TYR 1 -8.299 13.657 8.261 6 HD2 TYR 1 HD2 TYR 1 -5.816 10.597 6.663 7 HE1 TYR 1 HE1 TYR 1 -7.504 13.127 10.526 8 HE2 TYR 1 HE2 TYR 1 -5.017 10.055 8.923 9 HH TYR 1 HH TYR 1 -6.337 10.596 11.523 10 H LYS 2 H LYS 2 -5.306 14.111 3.018 11 HA LYS 2 HA LYS 2 -7.704 14.477 1.390 12 1HB LYS 2 1HB LYS 2 -4.880 15.501 1.148 13 2HB LYS 2 2HB LYS 2 -6.071 15.710 -0.129 14 1HG LYS 2 1HG LYS 2 -6.834 16.565 2.603 15 2HG LYS 2 2HG LYS 2 -5.647 17.542 1.737 16 1HD LYS 2 1HD LYS 2 -7.157 18.254 0.197 17 2HD LYS 2 2HD LYS 2 -8.062 16.740 0.225 18 1HE LYS 2 1HE LYS 2 -9.500 18.347 1.168 19 2HE LYS 2 2HE LYS 2 -8.862 17.429 2.532 20 1HZ LYS 2 1HZ LYS 2 -7.335 19.188 3.017 21 2HZ LYS 2 2HZ LYS 2 -8.883 19.858 2.889 22 3HZ LYS 2 3HZ LYS 2 -7.777 20.040 1.623 23 H PHE 3 H PHE 3 -5.010 12.324 1.630 24 HA PHE 3 HA PHE 3 -5.189 11.493 -1.145 25 1HB PHE 3 1HB PHE 3 -3.324 11.011 1.103 26 2HB PHE 3 2HB PHE 3 -3.528 9.686 -0.021 27 HD1 PHE 3 HD1 PHE 3 -2.213 9.607 -1.909 28 HD2 PHE 3 HD2 PHE 3 -2.888 13.354 -0.005 29 HE1 PHE 3 HE1 PHE 3 -0.643 10.680 -3.471 30 HE2 PHE 3 HE2 PHE 3 -1.322 14.433 -1.563 31 HZ PHE 3 HZ PHE 3 -0.197 13.095 -3.301 32 H ALA 4 H ALA 4 -5.841 9.476 -1.853 33 HA ALA 4 HA ALA 4 -7.205 7.740 0.086 34 1HB ALA 4 1HB ALA 4 -8.919 9.136 -0.943 35 2HB ALA 4 2HB ALA 4 -9.088 7.456 -1.457 36 3HB ALA 4 3HB ALA 4 -8.373 8.644 -2.546 37 H CYS 5 H CYS 5 -6.827 5.616 -0.200 38 HA CYS 5 HA CYS 5 -4.900 4.798 -2.150 39 1HB CYS 5 1HB CYS 5 -5.148 3.897 0.220 40 2HB CYS 5 2HB CYS 5 -6.516 2.973 -0.376 41 HG CYS 5 HG CYS 5 -4.764 1.292 -0.797 42 HA PRO 6 HA PRO 6 -7.780 3.576 -5.312 43 1HB PRO 6 1HB PRO 6 -6.079 2.228 -6.911 44 2HB PRO 6 2HB PRO 6 -6.035 3.988 -6.769 45 1HG PRO 6 1HG PRO 6 -4.293 1.938 -5.460 46 2HG PRO 6 2HG PRO 6 -3.840 3.485 -6.199 47 1HD PRO 6 1HD PRO 6 -4.129 3.125 -3.506 48 2HD PRO 6 2HD PRO 6 -4.393 4.682 -4.321 49 H GLU 7 H GLU 7 -5.910 1.340 -3.406 50 HA GLU 7 HA GLU 7 -7.400 -0.974 -4.367 51 1HB GLU 7 1HB GLU 7 -4.897 -0.530 -2.838 52 2HB GLU 7 2HB GLU 7 -5.807 -1.979 -2.451 53 1HG GLU 7 1HG GLU 7 -5.612 -2.802 -4.663 54 2HG GLU 7 2HG GLU 7 -4.998 -1.258 -5.252 55 H CYS 8 H CYS 8 -6.849 0.870 -1.372 56 HA CYS 8 HA CYS 8 -9.255 -0.405 -0.236 57 1HB CYS 8 1HB CYS 8 -8.239 -0.497 1.914 58 2HB CYS 8 2HB CYS 8 -7.086 -1.180 0.784 59 HG CYS 8 HG CYS 8 -5.478 0.594 1.329 60 HA PRO 9 HA PRO 9 -10.557 3.691 0.819 61 1HB PRO 9 1HB PRO 9 -12.176 3.246 2.887 62 2HB PRO 9 2HB PRO 9 -12.493 2.513 1.310 63 1HG PRO 9 1HG PRO 9 -11.383 1.280 3.783 64 2HG PRO 9 2HG PRO 9 -12.428 0.568 2.543 65 1HD PRO 9 1HD PRO 9 -9.619 0.299 2.749 66 2HD PRO 9 2HD PRO 9 -10.632 -0.198 1.385 67 H LYS 10 H LYS 10 -7.891 3.373 1.889 68 HA LYS 10 HA LYS 10 -8.057 4.387 4.614 69 1HB LYS 10 1HB LYS 10 -5.608 3.765 2.950 70 2HB LYS 10 2HB LYS 10 -5.609 4.231 4.626 71 1HG LYS 10 1HG LYS 10 -7.256 1.886 3.959 72 2HG LYS 10 2HG LYS 10 -5.508 1.693 3.804 73 1HD LYS 10 1HD LYS 10 -6.258 3.063 6.256 74 2HD LYS 10 2HD LYS 10 -6.984 1.460 6.133 75 1HE LYS 10 1HE LYS 10 -4.063 1.927 5.606 76 2HE LYS 10 2HE LYS 10 -4.680 1.638 7.233 77 1HZ LYS 10 1HZ LYS 10 -4.901 -0.192 4.902 78 2HZ LYS 10 2HZ LYS 10 -5.632 -0.465 6.404 79 3HZ LYS 10 3HZ LYS 10 -3.946 -0.420 6.281 80 H ARG 11 H ARG 11 -6.962 6.309 5.259 81 HA ARG 11 HA ARG 11 -6.379 8.290 3.198 82 1HB ARG 11 1HB ARG 11 -7.804 9.986 4.374 83 2HB ARG 11 2HB ARG 11 -8.707 8.718 3.559 84 1HG ARG 11 1HG ARG 11 -8.764 7.560 5.850 85 2HG ARG 11 2HG ARG 11 -8.282 9.131 6.495 86 1HD ARG 11 1HD ARG 11 -10.703 8.865 6.569 87 2HD ARG 11 2HD ARG 11 -10.245 10.158 5.463 88 HE ARG 11 HE ARG 11 -11.138 8.954 3.734 89 1HH1 ARG 11 1HH1 ARG 11 -10.764 6.821 6.490 90 2HH1 ARG 11 2HH1 ARG 11 -11.622 5.514 5.747 91 1HH2 ARG 11 1HH2 ARG 11 -12.266 7.228 2.767 92 2HH2 ARG 11 2HH2 ARG 11 -12.473 5.743 3.636 93 H PHE 12 H PHE 12 -4.701 9.572 3.746 94 HA PHE 12 HA PHE 12 -3.888 9.640 6.575 95 1HB PHE 12 1HB PHE 12 -2.000 9.356 4.267 96 2HB PHE 12 2HB PHE 12 -1.576 9.315 5.959 97 HD1 PHE 12 HD1 PHE 12 -4.040 7.572 3.774 98 HD2 PHE 12 HD2 PHE 12 -0.989 7.200 6.709 99 HE1 PHE 12 HE1 PHE 12 -4.329 5.149 3.742 100 HE2 PHE 12 HE2 PHE 12 -1.276 4.750 6.682 101 HZ PHE 12 HZ PHE 12 -2.956 3.725 5.183 102 H MET 13 H MET 13 -2.879 11.497 7.302 103 HA MET 13 HA MET 13 -3.633 13.920 6.082 104 1HB MET 13 1HB MET 13 -1.635 13.346 8.273 105 2HB MET 13 2HB MET 13 -2.103 14.970 7.785 106 1HG MET 13 1HG MET 13 -4.503 14.203 8.265 107 2HG MET 13 2HG MET 13 -3.751 12.865 9.128 108 1HE MET 13 1HE MET 13 -2.072 13.027 10.720 109 2HE MET 13 2HE MET 13 -2.968 13.566 12.139 110 3HE MET 13 3HE MET 13 -1.529 14.445 11.619 111 H ARG 14 H ARG 14 -0.668 12.040 5.942 112 HA ARG 14 HA ARG 14 0.617 14.119 4.320 113 1HB ARG 14 1HB ARG 14 1.632 11.722 5.806 114 2HB ARG 14 2HB ARG 14 2.589 12.419 4.512 115 1HG ARG 14 1HG ARG 14 3.387 13.378 6.505 116 2HG ARG 14 2HG ARG 14 2.411 14.623 5.725 117 1HD ARG 14 1HD ARG 14 1.229 14.810 7.596 118 2HD ARG 14 2HD ARG 14 0.656 13.156 7.360 119 HE ARG 14 HE ARG 14 2.025 12.484 9.056 120 1HH1 ARG 14 1HH1 ARG 14 3.097 15.641 7.980 121 2HH1 ARG 14 2HH1 ARG 14 4.256 15.816 9.254 122 1HH2 ARG 14 1HH2 ARG 14 3.556 12.722 10.730 123 2HH2 ARG 14 2HH2 ARG 14 4.517 14.160 10.813 124 H SER 15 H SER 15 1.815 13.415 2.388 125 HA SER 15 HA SER 15 0.140 11.694 0.761 126 1HB SER 15 1HB SER 15 0.609 13.481 -0.514 127 2HB SER 15 2HB SER 15 2.172 13.779 0.239 128 HG SER 15 HG SER 15 2.470 13.053 -1.876 129 H ASP 16 H ASP 16 3.546 11.887 1.760 130 HA ASP 16 HA ASP 16 4.331 9.489 0.448 131 1HB ASP 16 1HB ASP 16 5.741 11.515 1.444 132 2HB ASP 16 2HB ASP 16 5.825 10.439 2.832 133 H HIS 17 H HIS 17 2.997 10.216 3.600 134 HA HIS 17 HA HIS 17 3.652 7.789 4.885 135 1HB HIS 17 1HB HIS 17 1.585 9.911 5.351 136 2HB HIS 17 2HB HIS 17 1.536 8.412 6.268 137 HD1 HIS 17 HD1 HIS 17 1.936 10.256 8.255 138 HD2 HIS 17 HD2 HIS 17 5.149 9.419 5.757 139 HE1 HIS 17 HE1 HIS 17 3.971 11.058 9.486 140 HE2 HIS 17 HE2 HIS 17 5.892 10.637 7.914 141 H LEU 18 H LEU 18 0.604 8.834 3.308 142 HA LEU 18 HA LEU 18 -0.764 6.412 3.583 143 1HB LEU 18 1HB LEU 18 -1.800 8.534 2.890 144 2HB LEU 18 2HB LEU 18 -0.986 8.434 1.355 145 HG LEU 18 HG LEU 18 -2.819 6.229 2.215 146 1HD1 LEU 18 1HD1 LEU 18 -4.198 8.038 0.516 147 2HD1 LEU 18 2HD1 LEU 18 -3.629 8.916 1.937 148 3HD1 LEU 18 3HD1 LEU 18 -4.636 7.481 2.129 149 1HD2 LEU 18 1HD2 LEU 18 -3.168 6.594 -0.427 150 2HD2 LEU 18 2HD2 LEU 18 -1.958 5.518 0.278 151 3HD2 LEU 18 3HD2 LEU 18 -1.502 7.146 -0.243 152 H THR 19 H THR 19 1.366 7.585 1.003 153 HA THR 19 HA THR 19 1.035 5.374 -0.687 154 HB THR 19 HB THR 19 3.418 7.228 -0.447 155 HG1 THR 19 HG1 THR 19 1.959 8.584 -1.130 156 1HG2 THR 19 1HG2 THR 19 4.101 5.376 -1.764 157 2HG2 THR 19 2HG2 THR 19 3.737 6.708 -2.862 158 3HG2 THR 19 3HG2 THR 19 2.588 5.384 -2.669 159 H LEU 20 H LEU 20 3.141 5.971 2.074 160 HA LEU 20 HA LEU 20 4.890 3.775 1.704 161 1HB LEU 20 1HB LEU 20 5.114 5.758 3.323 162 2HB LEU 20 2HB LEU 20 4.048 4.857 4.385 163 HG LEU 20 HG LEU 20 5.787 2.948 4.139 164 1HD1 LEU 20 1HD1 LEU 20 7.508 5.315 3.415 165 2HD1 LEU 20 2HD1 LEU 20 7.031 4.030 2.303 166 3HD1 LEU 20 3HD1 LEU 20 8.047 3.658 3.695 167 1HD2 LEU 20 1HD2 LEU 20 6.469 5.450 5.682 168 2HD2 LEU 20 2HD2 LEU 20 7.051 3.820 6.021 169 3HD2 LEU 20 3HD2 LEU 20 5.339 4.198 6.203 170 H HIS 21 H HIS 21 1.696 4.126 3.071 171 HA HIS 21 HA HIS 21 1.464 1.659 4.395 172 1HB HIS 21 1HB HIS 21 -0.513 2.564 4.939 173 2HB HIS 21 2HB HIS 21 -0.134 3.934 3.932 174 HD1 HIS 21 HD1 HIS 21 -2.260 4.448 2.720 175 HD2 HIS 21 HD2 HIS 21 -1.432 0.392 2.741 176 HE1 HIS 21 HE1 HIS 21 -4.089 3.332 1.389 177 H ILE 22 H ILE 22 0.564 2.685 1.150 178 HA ILE 22 HA ILE 22 -0.621 0.294 0.338 179 HB ILE 22 HB ILE 22 0.748 2.137 -1.605 180 1HG1 ILE 22 1HG1 ILE 22 -2.074 2.639 -0.862 181 2HG1 ILE 22 2HG1 ILE 22 -0.884 3.139 0.316 182 1HG2 ILE 22 1HG2 ILE 22 -0.618 1.233 -3.174 183 2HG2 ILE 22 2HG2 ILE 22 -1.954 1.025 -2.038 184 3HG2 ILE 22 3HG2 ILE 22 -0.622 -0.132 -2.058 185 1HD1 ILE 22 1HD1 ILE 22 0.123 4.097 -2.047 186 2HD1 ILE 22 2HD1 ILE 22 -0.771 5.015 -0.838 187 3HD1 ILE 22 3HD1 ILE 22 -1.619 4.319 -2.215 188 H LEU 23 H LEU 23 2.606 0.648 1.102 189 HA LEU 23 HA LEU 23 3.825 -0.911 -0.930 190 1HB LEU 23 1HB LEU 23 4.569 0.031 1.782 191 2HB LEU 23 2HB LEU 23 5.419 -1.381 1.188 192 HG LEU 23 HG LEU 23 5.269 0.953 -0.639 193 1HD1 LEU 23 1HD1 LEU 23 6.976 0.897 1.842 194 2HD1 LEU 23 2HD1 LEU 23 5.754 2.093 1.415 195 3HD1 LEU 23 3HD1 LEU 23 7.238 1.975 0.472 196 1HD2 LEU 23 1HD2 LEU 23 7.505 -0.930 0.104 197 2HD2 LEU 23 2HD2 LEU 23 7.488 0.212 -1.240 198 3HD2 LEU 23 3HD2 LEU 23 6.388 -1.166 -1.240 199 H LEU 24 H LEU 24 2.156 -1.694 2.093 200 HA LEU 24 HA LEU 24 2.895 -4.449 2.108 201 1HB LEU 24 1HB LEU 24 0.710 -4.588 3.583 202 2HB LEU 24 2HB LEU 24 2.224 -3.968 4.198 203 HG LEU 24 HG LEU 24 1.347 -1.652 3.676 204 1HD1 LEU 24 1HD1 LEU 24 -1.166 -1.510 3.637 205 2HD1 LEU 24 2HD1 LEU 24 -1.184 -3.237 3.274 206 3HD1 LEU 24 3HD1 LEU 24 -0.428 -2.107 2.151 207 1HD2 LEU 24 1HD2 LEU 24 1.312 -3.055 5.888 208 2HD2 LEU 24 2HD2 LEU 24 -0.433 -2.955 5.655 209 3HD2 LEU 24 3HD2 LEU 24 0.524 -1.480 5.790 210 H HIS 25 H HIS 25 0.418 -2.671 0.445 211 HA HIS 25 HA HIS 25 -1.506 -4.605 -0.018 212 1HB HIS 25 1HB HIS 25 -0.592 -2.180 -1.457 213 2HB HIS 25 2HB HIS 25 -1.549 -3.322 -2.388 214 HD1 HIS 25 HD1 HIS 25 -3.850 -4.084 -0.794 215 HD2 HIS 25 HD2 HIS 25 -2.152 -0.314 -0.387 216 HE1 HIS 25 HE1 HIS 25 -5.634 -2.605 0.226 217 H GLU 26 H GLU 26 1.533 -4.057 -1.773 218 HA GLU 26 HA GLU 26 1.004 -6.235 -3.599 219 1HB GLU 26 1HB GLU 26 3.579 -4.695 -3.239 220 2HB GLU 26 2HB GLU 26 3.115 -5.677 -4.620 221 1HG GLU 26 1HG GLU 26 2.057 -3.002 -3.784 222 2HG GLU 26 2HG GLU 26 2.804 -3.468 -5.310 223 H ASN 27 H ASN 27 3.464 -5.586 -1.078 224 HA ASN 27 HA ASN 27 3.487 -8.425 -0.427 225 1HB ASN 27 1HB ASN 27 5.346 -7.628 -2.205 226 2HB ASN 27 2HB ASN 27 6.194 -7.243 -0.711 227 1HD2 ASN 27 1HD2 ASN 27 6.822 -8.896 0.665 228 2HD2 ASN 27 2HD2 ASN 27 6.815 -10.555 0.181 229 H LYS 28 H LYS 28 4.373 -8.909 1.626 230 HA LYS 28 HA LYS 28 3.907 -6.965 3.612 231 1HB LYS 28 1HB LYS 28 4.882 -9.751 3.529 232 2HB LYS 28 2HB LYS 28 5.416 -8.816 4.919 233 1HG LYS 28 1HG LYS 28 2.891 -8.186 5.109 234 2HG LYS 28 2HG LYS 28 2.662 -9.644 4.138 235 1HD LYS 28 1HD LYS 28 4.334 -9.651 6.634 236 2HD LYS 28 2HD LYS 28 2.585 -9.883 6.688 237 1HE LYS 28 1HE LYS 28 2.763 -11.823 5.254 238 2HE LYS 28 2HE LYS 28 4.494 -11.557 5.057 239 1HZ LYS 28 1HZ LYS 28 3.116 -12.236 7.600 240 2HZ LYS 28 2HZ LYS 28 4.774 -11.948 7.435 241 3HZ LYS 28 3HZ LYS 28 4.069 -13.284 6.675 242 H LYS 29 H LYS 29 5.415 -6.089 5.169 243 HA LYS 29 HA LYS 29 7.672 -4.882 3.942 244 1HB LYS 29 1HB LYS 29 6.280 -3.880 5.783 245 2HB LYS 29 2HB LYS 29 7.057 -4.998 6.896 246 1HG LYS 29 1HG LYS 29 9.253 -4.009 6.220 247 2HG LYS 29 2HG LYS 29 8.351 -2.787 5.322 248 1HD LYS 29 1HD LYS 29 7.403 -1.894 7.279 249 2HD LYS 29 2HD LYS 29 7.844 -3.309 8.237 250 1HE LYS 29 1HE LYS 29 10.231 -2.715 7.913 251 2HE LYS 29 2HE LYS 29 9.718 -1.245 7.086 252 1HZ LYS 29 1HZ LYS 29 10.236 -0.818 9.404 253 2HZ LYS 29 2HZ LYS 29 9.088 -1.955 9.902 254 3HZ LYS 29 3HZ LYS 29 8.592 -0.546 9.110 Start of MODEL 44 1 H TYR 1 H TYR 1 -5.762 13.174 5.670 2 HA TYR 1 HA TYR 1 -7.017 11.400 5.039 3 1HB TYR 1 1HB TYR 1 -9.430 11.287 5.315 4 2HB TYR 1 2HB TYR 1 -8.684 11.703 6.852 5 HD1 TYR 1 HD1 TYR 1 -11.089 12.657 4.370 6 HD2 TYR 1 HD2 TYR 1 -8.727 14.144 7.583 7 HE1 TYR 1 HE1 TYR 1 -12.569 14.611 4.548 8 HE2 TYR 1 HE2 TYR 1 -10.201 16.101 7.768 9 HH TYR 1 HH TYR 1 -12.011 17.249 5.655 10 H LYS 2 H LYS 2 -6.073 13.883 3.762 11 HA LYS 2 HA LYS 2 -7.991 14.707 1.819 12 1HB LYS 2 1HB LYS 2 -5.910 15.976 2.654 13 2HB LYS 2 2HB LYS 2 -5.012 14.990 1.509 14 1HG LYS 2 1HG LYS 2 -7.380 16.316 0.395 15 2HG LYS 2 2HG LYS 2 -6.104 17.403 0.948 16 1HD LYS 2 1HD LYS 2 -4.556 16.562 -0.563 17 2HD LYS 2 2HD LYS 2 -5.430 15.043 -0.765 18 1HE LYS 2 1HE LYS 2 -6.771 17.563 -1.601 19 2HE LYS 2 2HE LYS 2 -5.474 16.934 -2.615 20 1HZ LYS 2 1HZ LYS 2 -7.675 16.135 -3.288 21 2HZ LYS 2 2HZ LYS 2 -7.874 15.393 -1.781 22 3HZ LYS 2 3HZ LYS 2 -6.658 14.862 -2.830 23 H PHE 3 H PHE 3 -5.252 12.441 1.769 24 HA PHE 3 HA PHE 3 -5.823 11.704 -0.982 25 1HB PHE 3 1HB PHE 3 -3.610 11.254 0.941 26 2HB PHE 3 2HB PHE 3 -3.886 9.999 -0.250 27 HD1 PHE 3 HD1 PHE 3 -3.465 10.384 -2.594 28 HD2 PHE 3 HD2 PHE 3 -2.892 13.475 0.276 29 HE1 PHE 3 HE1 PHE 3 -2.211 11.694 -4.258 30 HE2 PHE 3 HE2 PHE 3 -1.639 14.789 -1.383 31 HZ PHE 3 HZ PHE 3 -1.297 13.899 -3.654 32 H ALA 4 H ALA 4 -5.769 9.288 -1.480 33 HA ALA 4 HA ALA 4 -6.881 7.539 0.533 34 1HB ALA 4 1HB ALA 4 -8.882 8.729 -0.175 35 2HB ALA 4 2HB ALA 4 -8.942 7.046 -0.699 36 3HB ALA 4 3HB ALA 4 -8.549 8.317 -1.857 37 H CYS 5 H CYS 5 -6.849 5.335 -0.065 38 HA CYS 5 HA CYS 5 -4.906 4.705 -2.100 39 1HB CYS 5 1HB CYS 5 -5.172 3.561 0.193 40 2HB CYS 5 2HB CYS 5 -6.503 2.685 -0.543 41 HG CYS 5 HG CYS 5 -3.914 1.614 -0.659 42 HA PRO 6 HA PRO 6 -7.835 3.847 -5.329 43 1HB PRO 6 1HB PRO 6 -6.226 2.458 -7.000 44 2HB PRO 6 2HB PRO 6 -6.082 4.206 -6.778 45 1HG PRO 6 1HG PRO 6 -4.459 2.002 -5.567 46 2HG PRO 6 2HG PRO 6 -3.918 3.550 -6.239 47 1HD PRO 6 1HD PRO 6 -4.206 3.110 -3.571 48 2HD PRO 6 2HD PRO 6 -4.425 4.706 -4.319 49 H GLU 7 H GLU 7 -6.221 1.383 -3.493 50 HA GLU 7 HA GLU 7 -7.950 -0.709 -4.604 51 1HB GLU 7 1HB GLU 7 -5.490 -1.113 -4.489 52 2HB GLU 7 2HB GLU 7 -5.589 -1.000 -2.738 53 1HG GLU 7 1HG GLU 7 -7.527 -2.880 -3.642 54 2HG GLU 7 2HG GLU 7 -5.973 -3.263 -4.380 55 H CYS 8 H CYS 8 -6.860 0.578 -1.448 56 HA CYS 8 HA CYS 8 -9.268 -0.605 -0.232 57 1HB CYS 8 1HB CYS 8 -8.119 -0.585 1.876 58 2HB CYS 8 2HB CYS 8 -7.064 -1.324 0.683 59 HG CYS 8 HG CYS 8 -6.587 1.641 1.427 60 HA PRO 9 HA PRO 9 -10.702 3.427 0.863 61 1HB PRO 9 1HB PRO 9 -12.234 2.907 2.981 62 2HB PRO 9 2HB PRO 9 -12.571 2.171 1.411 63 1HG PRO 9 1HG PRO 9 -11.335 0.972 3.838 64 2HG PRO 9 2HG PRO 9 -12.390 0.225 2.627 65 1HD PRO 9 1HD PRO 9 -9.568 0.067 2.746 66 2HD PRO 9 2HD PRO 9 -10.604 -0.462 1.408 67 H LYS 10 H LYS 10 -8.008 3.288 1.795 68 HA LYS 10 HA LYS 10 -8.083 4.238 4.550 69 1HB LYS 10 1HB LYS 10 -5.732 3.764 2.705 70 2HB LYS 10 2HB LYS 10 -5.610 4.302 4.356 71 1HG LYS 10 1HG LYS 10 -6.992 1.743 3.659 72 2HG LYS 10 2HG LYS 10 -5.245 1.828 3.889 73 1HD LYS 10 1HD LYS 10 -7.157 2.878 5.954 74 2HD LYS 10 2HD LYS 10 -6.694 1.176 5.904 75 1HE LYS 10 1HE LYS 10 -4.925 1.731 7.136 76 2HE LYS 10 2HE LYS 10 -4.288 2.542 5.706 77 1HZ LYS 10 1HZ LYS 10 -5.896 3.767 7.880 78 2HZ LYS 10 2HZ LYS 10 -5.477 4.567 6.450 79 3HZ LYS 10 3HZ LYS 10 -4.269 4.065 7.523 80 H ARG 11 H ARG 11 -6.968 6.232 5.130 81 HA ARG 11 HA ARG 11 -6.728 8.262 3.059 82 1HB ARG 11 1HB ARG 11 -8.169 9.831 4.506 83 2HB ARG 11 2HB ARG 11 -8.993 8.653 3.497 84 1HG ARG 11 1HG ARG 11 -10.158 8.311 5.399 85 2HG ARG 11 2HG ARG 11 -8.818 7.216 5.741 86 1HD ARG 11 1HD ARG 11 -7.988 9.763 6.586 87 2HD ARG 11 2HD ARG 11 -9.648 9.579 7.148 88 HE ARG 11 HE ARG 11 -8.610 7.271 7.938 89 1HH1 ARG 11 1HH1 ARG 11 -7.300 10.511 8.209 90 2HH1 ARG 11 2HH1 ARG 11 -6.414 10.161 9.655 91 1HH2 ARG 11 1HH2 ARG 11 -7.438 6.820 9.840 92 2HH2 ARG 11 2HH2 ARG 11 -6.492 8.067 10.580 93 H PHE 12 H PHE 12 -5.108 9.666 3.493 94 HA PHE 12 HA PHE 12 -4.173 9.892 6.271 95 1HB PHE 12 1HB PHE 12 -2.293 9.530 3.969 96 2HB PHE 12 2HB PHE 12 -1.893 9.523 5.671 97 HD1 PHE 12 HD1 PHE 12 -4.224 7.693 3.396 98 HD2 PHE 12 HD2 PHE 12 -1.358 7.455 6.531 99 HE1 PHE 12 HE1 PHE 12 -4.439 5.260 3.395 100 HE2 PHE 12 HE2 PHE 12 -1.575 5.002 6.536 101 HZ PHE 12 HZ PHE 12 -3.118 3.903 4.952 102 H MET 13 H MET 13 -2.945 11.754 6.760 103 HA MET 13 HA MET 13 -3.714 14.075 5.223 104 1HB MET 13 1HB MET 13 -2.241 13.671 7.817 105 2HB MET 13 2HB MET 13 -2.334 15.254 7.058 106 1HG MET 13 1HG MET 13 -4.807 13.666 7.618 107 2HG MET 13 2HG MET 13 -4.044 14.641 8.873 108 1HE MET 13 1HE MET 13 -3.544 17.074 8.699 109 2HE MET 13 2HE MET 13 -5.207 17.064 9.288 110 3HE MET 13 3HE MET 13 -4.724 18.197 8.025 111 H ARG 14 H ARG 14 -0.911 12.056 5.580 112 HA ARG 14 HA ARG 14 0.792 13.988 4.180 113 1HB ARG 14 1HB ARG 14 1.467 11.362 5.523 114 2HB ARG 14 2HB ARG 14 2.632 12.412 4.729 115 1HG ARG 14 1HG ARG 14 2.941 13.162 6.828 116 2HG ARG 14 2HG ARG 14 1.551 14.174 6.431 117 1HD ARG 14 1HD ARG 14 0.538 13.302 8.215 118 2HD ARG 14 2HD ARG 14 0.435 11.788 7.312 119 HE ARG 14 HE ARG 14 2.078 10.913 8.644 120 1HH1 ARG 14 1HH1 ARG 14 1.981 14.380 9.127 121 2HH1 ARG 14 2HH1 ARG 14 3.070 14.346 10.472 122 1HH2 ARG 14 1HH2 ARG 14 3.512 10.877 10.418 123 2HH2 ARG 14 2HH2 ARG 14 3.939 12.359 11.204 124 H SER 15 H SER 15 2.044 13.297 2.337 125 HA SER 15 HA SER 15 0.524 11.494 0.620 126 1HB SER 15 1HB SER 15 1.132 12.780 -1.079 127 2HB SER 15 2HB SER 15 1.661 13.936 0.138 128 HG SER 15 HG SER 15 3.143 12.384 -1.582 129 H ASP 16 H ASP 16 3.848 11.925 1.805 130 HA ASP 16 HA ASP 16 4.901 9.656 0.484 131 1HB ASP 16 1HB ASP 16 5.931 11.120 2.885 132 2HB ASP 16 2HB ASP 16 6.849 9.985 1.918 133 H HIS 17 H HIS 17 3.932 10.212 3.868 134 HA HIS 17 HA HIS 17 4.478 7.616 4.794 135 1HB HIS 17 1HB HIS 17 2.769 9.871 5.753 136 2HB HIS 17 2HB HIS 17 2.543 8.284 6.476 137 HD1 HIS 17 HD1 HIS 17 3.423 9.268 8.724 138 HD2 HIS 17 HD2 HIS 17 6.190 9.272 5.626 139 HE1 HIS 17 HE1 HIS 17 5.637 9.722 9.803 140 HE2 HIS 17 HE2 HIS 17 7.316 9.610 7.929 141 H LEU 18 H LEU 18 1.561 9.023 3.352 142 HA LEU 18 HA LEU 18 -0.180 6.873 3.746 143 1HB LEU 18 1HB LEU 18 -0.844 9.107 2.965 144 2HB LEU 18 2HB LEU 18 -0.075 8.801 1.430 145 HG LEU 18 HG LEU 18 -2.256 7.007 2.412 146 1HD1 LEU 18 1HD1 LEU 18 -3.350 9.049 2.587 147 2HD1 LEU 18 2HD1 LEU 18 -3.743 8.505 0.958 148 3HD1 LEU 18 3HD1 LEU 18 -2.494 9.729 1.207 149 1HD2 LEU 18 1HD2 LEU 18 -0.728 7.376 -0.028 150 2HD2 LEU 18 2HD2 LEU 18 -2.470 7.370 -0.303 151 3HD2 LEU 18 3HD2 LEU 18 -1.699 6.005 0.510 152 H THR 19 H THR 19 2.005 7.608 1.031 153 HA THR 19 HA THR 19 1.312 5.395 -0.525 154 HB THR 19 HB THR 19 3.969 6.846 -0.420 155 HG1 THR 19 HG1 THR 19 1.602 7.312 -1.902 156 1HG2 THR 19 1HG2 THR 19 4.118 6.179 -2.824 157 2HG2 THR 19 2HG2 THR 19 2.790 5.057 -2.525 158 3HG2 THR 19 3HG2 THR 19 4.318 4.863 -1.667 159 H LEU 20 H LEU 20 3.507 5.747 2.193 160 HA LEU 20 HA LEU 20 4.958 3.354 1.916 161 1HB LEU 20 1HB LEU 20 5.399 5.269 3.525 162 2HB LEU 20 2HB LEU 20 4.125 4.610 4.531 163 HG LEU 20 HG LEU 20 5.455 2.459 4.621 164 1HD1 LEU 20 1HD1 LEU 20 7.587 4.235 3.443 165 2HD1 LEU 20 2HD1 LEU 20 6.864 2.817 2.681 166 3HD1 LEU 20 3HD1 LEU 20 7.852 2.632 4.129 167 1HD2 LEU 20 1HD2 LEU 20 6.718 4.950 5.759 168 2HD2 LEU 20 2HD2 LEU 20 6.985 3.303 6.330 169 3HD2 LEU 20 3HD2 LEU 20 5.390 4.040 6.476 170 H HIS 21 H HIS 21 1.790 4.071 3.263 171 HA HIS 21 HA HIS 21 1.242 1.638 4.524 172 1HB HIS 21 1HB HIS 21 -0.688 2.691 4.983 173 2HB HIS 21 2HB HIS 21 -0.097 4.055 4.078 174 HD1 HIS 21 HD1 HIS 21 -1.922 4.875 2.597 175 HD2 HIS 21 HD2 HIS 21 -1.843 0.742 2.800 176 HE1 HIS 21 HE1 HIS 21 -3.815 4.045 1.147 177 H ILE 22 H ILE 22 0.483 2.776 1.280 178 HA ILE 22 HA ILE 22 -0.890 0.555 0.343 179 HB ILE 22 HB ILE 22 0.794 2.331 -1.416 180 1HG1 ILE 22 1HG1 ILE 22 -2.049 2.986 -0.856 181 2HG1 ILE 22 2HG1 ILE 22 -0.895 3.383 0.396 182 1HG2 ILE 22 1HG2 ILE 22 -0.606 1.733 -3.147 183 2HG2 ILE 22 2HG2 ILE 22 -1.924 1.286 -2.064 184 3HG2 ILE 22 3HG2 ILE 22 -0.522 0.227 -2.233 185 1HD1 ILE 22 1HD1 ILE 22 -1.454 4.702 -2.093 186 2HD1 ILE 22 2HD1 ILE 22 0.261 4.326 -1.928 187 3HD1 ILE 22 3HD1 ILE 22 -0.560 5.268 -0.684 188 H LEU 23 H LEU 23 2.518 0.887 0.840 189 HA LEU 23 HA LEU 23 3.466 -0.959 -1.057 190 1HB LEU 23 1HB LEU 23 4.499 0.397 1.289 191 2HB LEU 23 2HB LEU 23 5.111 -1.241 1.175 192 HG LEU 23 HG LEU 23 5.246 0.628 -1.173 193 1HD1 LEU 23 1HD1 LEU 23 7.508 1.235 -0.483 194 2HD1 LEU 23 2HD1 LEU 23 7.289 0.351 1.027 195 3HD1 LEU 23 3HD1 LEU 23 6.311 1.780 0.692 196 1HD2 LEU 23 1HD2 LEU 23 6.887 -1.765 -0.345 197 2HD2 LEU 23 2HD2 LEU 23 7.104 -0.817 -1.816 198 3HD2 LEU 23 3HD2 LEU 23 5.628 -1.751 -1.580 199 H LEU 24 H LEU 24 1.734 -1.424 1.927 200 HA LEU 24 HA LEU 24 2.533 -4.100 2.423 201 1HB LEU 24 1HB LEU 24 1.103 -4.054 4.195 202 2HB LEU 24 2HB LEU 24 1.370 -2.344 3.960 203 HG LEU 24 HG LEU 24 -0.899 -2.456 4.351 204 1HD1 LEU 24 1HD1 LEU 24 -0.138 -1.836 1.728 205 2HD1 LEU 24 2HD1 LEU 24 -1.568 -1.292 2.601 206 3HD1 LEU 24 3HD1 LEU 24 -1.639 -2.748 1.610 207 1HD2 LEU 24 1HD2 LEU 24 -0.712 -5.095 3.893 208 2HD2 LEU 24 2HD2 LEU 24 -1.613 -4.597 2.461 209 3HD2 LEU 24 3HD2 LEU 24 -2.243 -4.237 4.069 210 H HIS 25 H HIS 25 0.409 -2.761 0.083 211 HA HIS 25 HA HIS 25 -1.313 -5.031 -0.201 212 1HB HIS 25 1HB HIS 25 -0.757 -2.691 -2.038 213 2HB HIS 25 2HB HIS 25 -1.979 -3.921 -2.349 214 HD1 HIS 25 HD1 HIS 25 -3.519 -4.150 0.179 215 HD2 HIS 25 HD2 HIS 25 -2.015 -0.513 -1.147 216 HE1 HIS 25 HE1 HIS 25 -4.895 -2.354 1.310 217 H GLU 26 H GLU 26 1.736 -4.001 -1.611 218 HA GLU 26 HA GLU 26 1.868 -5.672 -3.833 219 1HB GLU 26 1HB GLU 26 3.576 -3.886 -2.586 220 2HB GLU 26 2HB GLU 26 4.418 -5.420 -2.424 221 1HG GLU 26 1HG GLU 26 4.143 -5.742 -4.883 222 2HG GLU 26 2HG GLU 26 3.505 -4.101 -4.966 223 H ASN 27 H ASN 27 3.002 -6.302 -0.508 224 HA ASN 27 HA ASN 27 3.253 -9.150 -1.183 225 1HB ASN 27 1HB ASN 27 5.214 -7.931 -0.157 226 2HB ASN 27 2HB ASN 27 4.255 -7.761 1.309 227 1HD2 ASN 27 1HD2 ASN 27 5.685 -10.101 -0.900 228 2HD2 ASN 27 2HD2 ASN 27 5.822 -11.378 0.255 229 H LYS 28 H LYS 28 1.335 -10.123 -0.900 230 HA LYS 28 HA LYS 28 -0.064 -9.688 1.659 231 1HB LYS 28 1HB LYS 28 -1.041 -9.592 -1.077 232 2HB LYS 28 2HB LYS 28 -1.936 -10.754 -0.109 233 1HG LYS 28 1HG LYS 28 -1.447 -7.988 0.917 234 2HG LYS 28 2HG LYS 28 -2.752 -8.309 -0.227 235 1HD LYS 28 1HD LYS 28 -2.500 -10.041 2.187 236 2HD LYS 28 2HD LYS 28 -3.161 -8.416 2.374 237 1HE LYS 28 1HE LYS 28 -5.086 -9.571 1.959 238 2HE LYS 28 2HE LYS 28 -4.631 -9.148 0.310 239 1HZ LYS 28 1HZ LYS 28 -5.290 -11.556 0.825 240 2HZ LYS 28 2HZ LYS 28 -3.749 -11.699 1.506 241 3HZ LYS 28 3HZ LYS 28 -3.917 -11.293 -0.128 242 H LYS 29 H LYS 29 -1.167 -11.519 2.562 243 HA LYS 29 HA LYS 29 0.351 -13.920 2.398 244 1HB LYS 29 1HB LYS 29 -1.199 -14.805 4.057 245 2HB LYS 29 2HB LYS 29 -0.697 -13.178 4.491 246 1HG LYS 29 1HG LYS 29 -2.879 -12.841 4.844 247 2HG LYS 29 2HG LYS 29 -2.962 -12.662 3.091 248 1HD LYS 29 1HD LYS 29 -3.148 -15.359 3.348 249 2HD LYS 29 2HD LYS 29 -3.951 -14.823 4.825 250 1HE LYS 29 1HE LYS 29 -5.563 -13.594 3.622 251 2HE LYS 29 2HE LYS 29 -4.634 -13.687 2.127 252 1HZ LYS 29 1HZ LYS 29 -6.502 -15.201 2.076 253 2HZ LYS 29 2HZ LYS 29 -5.971 -15.965 3.488 254 3HZ LYS 29 3HZ LYS 29 -5.053 -16.075 2.071 Start of MODEL 45 1 H TYR 1 H TYR 1 -7.180 14.467 6.632 2 HA TYR 1 HA TYR 1 -6.153 11.947 5.500 3 1HB TYR 1 1HB TYR 1 -8.789 12.599 6.844 4 2HB TYR 1 2HB TYR 1 -8.298 11.027 6.227 5 HD1 TYR 1 HD1 TYR 1 -8.659 12.889 9.121 6 HD2 TYR 1 HD2 TYR 1 -5.916 10.232 7.248 7 HE1 TYR 1 HE1 TYR 1 -7.700 12.340 11.318 8 HE2 TYR 1 HE2 TYR 1 -4.951 9.673 9.438 9 HH TYR 1 HH TYR 1 -6.278 10.010 12.176 10 H LYS 2 H LYS 2 -6.012 13.962 3.779 11 HA LYS 2 HA LYS 2 -8.555 14.209 2.363 12 1HB LYS 2 1HB LYS 2 -6.068 15.760 2.498 13 2HB LYS 2 2HB LYS 2 -6.719 15.606 0.873 14 1HG LYS 2 1HG LYS 2 -8.283 16.599 3.247 15 2HG LYS 2 2HG LYS 2 -7.477 17.635 2.067 16 1HD LYS 2 1HD LYS 2 -8.876 16.201 0.355 17 2HD LYS 2 2HD LYS 2 -9.903 15.929 1.763 18 1HE LYS 2 1HE LYS 2 -9.890 18.458 2.060 19 2HE LYS 2 2HE LYS 2 -9.202 18.535 0.438 20 1HZ LYS 2 1HZ LYS 2 -11.824 17.359 1.189 21 2HZ LYS 2 2HZ LYS 2 -11.157 17.301 -0.364 22 3HZ LYS 2 3HZ LYS 2 -11.571 18.790 0.323 23 H PHE 3 H PHE 3 -5.691 12.317 2.219 24 HA PHE 3 HA PHE 3 -5.891 11.807 -0.623 25 1HB PHE 3 1HB PHE 3 -4.057 10.738 1.527 26 2HB PHE 3 2HB PHE 3 -3.982 10.267 -0.151 27 HD1 PHE 3 HD1 PHE 3 -3.601 12.127 -1.890 28 HD2 PHE 3 HD2 PHE 3 -2.880 12.592 2.279 29 HE1 PHE 3 HE1 PHE 3 -2.122 14.036 -2.361 30 HE2 PHE 3 HE2 PHE 3 -1.403 14.502 1.815 31 HZ PHE 3 HZ PHE 3 -1.022 15.227 -0.509 32 H ALA 4 H ALA 4 -5.950 9.541 -1.406 33 HA ALA 4 HA ALA 4 -7.322 7.642 0.334 34 1HB ALA 4 1HB ALA 4 -8.494 8.559 -2.290 35 2HB ALA 4 2HB ALA 4 -9.137 8.911 -0.685 36 3HB ALA 4 3HB ALA 4 -9.116 7.252 -1.283 37 H CYS 5 H CYS 5 -7.066 5.496 -0.256 38 HA CYS 5 HA CYS 5 -4.882 4.973 -2.086 39 1HB CYS 5 1HB CYS 5 -5.178 3.875 0.198 40 2HB CYS 5 2HB CYS 5 -6.458 2.924 -0.533 41 HG CYS 5 HG CYS 5 -4.620 1.382 -1.045 42 HA PRO 6 HA PRO 6 -7.487 3.841 -5.501 43 1HB PRO 6 1HB PRO 6 -5.687 2.449 -6.973 44 2HB PRO 6 2HB PRO 6 -5.650 4.211 -6.833 45 1HG PRO 6 1HG PRO 6 -4.020 2.161 -5.382 46 2HG PRO 6 2HG PRO 6 -3.504 3.700 -6.096 47 1HD PRO 6 1HD PRO 6 -3.971 3.391 -3.441 48 2HD PRO 6 2HD PRO 6 -4.238 4.927 -4.292 49 H GLU 7 H GLU 7 -5.872 1.491 -3.491 50 HA GLU 7 HA GLU 7 -7.430 -0.703 -4.634 51 1HB GLU 7 1HB GLU 7 -4.957 -0.510 -2.972 52 2HB GLU 7 2HB GLU 7 -5.930 -1.965 -2.869 53 1HG GLU 7 1HG GLU 7 -4.330 -2.457 -4.482 54 2HG GLU 7 2HG GLU 7 -5.770 -2.047 -5.413 55 H CYS 8 H CYS 8 -6.718 0.825 -1.486 56 HA CYS 8 HA CYS 8 -9.174 -0.415 -0.419 57 1HB CYS 8 1HB CYS 8 -8.173 -0.415 1.760 58 2HB CYS 8 2HB CYS 8 -7.032 -1.143 0.641 59 HG CYS 8 HG CYS 8 -5.417 0.670 1.075 60 HA PRO 9 HA PRO 9 -10.624 3.638 0.609 61 1HB PRO 9 1HB PRO 9 -12.255 3.141 2.663 62 2HB PRO 9 2HB PRO 9 -12.543 2.426 1.074 63 1HG PRO 9 1HG PRO 9 -11.453 1.178 3.543 64 2HG PRO 9 2HG PRO 9 -12.451 0.463 2.266 65 1HD PRO 9 1HD PRO 9 -9.640 0.262 2.544 66 2HD PRO 9 2HD PRO 9 -10.607 -0.253 1.152 67 H LYS 10 H LYS 10 -7.961 3.253 1.781 68 HA LYS 10 HA LYS 10 -8.157 4.265 4.488 69 1HB LYS 10 1HB LYS 10 -5.731 3.730 2.763 70 2HB LYS 10 2HB LYS 10 -5.670 4.266 4.416 71 1HG LYS 10 1HG LYS 10 -7.213 1.807 3.830 72 2HG LYS 10 2HG LYS 10 -5.452 1.725 3.780 73 1HD LYS 10 1HD LYS 10 -5.866 1.208 5.987 74 2HD LYS 10 2HD LYS 10 -5.620 2.952 6.083 75 1HE LYS 10 1HE LYS 10 -8.378 2.330 5.510 76 2HE LYS 10 2HE LYS 10 -7.838 1.497 6.966 77 1HZ LYS 10 1HZ LYS 10 -7.140 3.584 7.899 78 2HZ LYS 10 2HZ LYS 10 -8.756 3.711 7.417 79 3HZ LYS 10 3HZ LYS 10 -7.538 4.411 6.478 80 H ARG 11 H ARG 11 -7.055 6.214 5.158 81 HA ARG 11 HA ARG 11 -6.684 8.271 3.119 82 1HB ARG 11 1HB ARG 11 -8.044 9.701 5.034 83 2HB ARG 11 2HB ARG 11 -8.713 9.155 3.507 84 1HG ARG 11 1HG ARG 11 -10.287 8.501 5.085 85 2HG ARG 11 2HG ARG 11 -9.375 7.025 4.763 86 1HD ARG 11 1HD ARG 11 -7.931 7.787 6.783 87 2HD ARG 11 2HD ARG 11 -9.316 8.805 7.170 88 HE ARG 11 HE ARG 11 -9.139 5.934 7.396 89 1HH1 ARG 11 1HH1 ARG 11 -11.299 8.686 7.198 90 2HH1 ARG 11 2HH1 ARG 11 -12.623 7.852 7.938 91 1HH2 ARG 11 1HH2 ARG 11 -10.888 4.844 8.368 92 2HH2 ARG 11 2HH2 ARG 11 -12.391 5.673 8.601 93 H PHE 12 H PHE 12 -5.067 9.682 3.601 94 HA PHE 12 HA PHE 12 -4.052 9.711 6.361 95 1HB PHE 12 1HB PHE 12 -2.298 9.444 3.945 96 2HB PHE 12 2HB PHE 12 -1.774 9.429 5.614 97 HD1 PHE 12 HD1 PHE 12 -4.233 7.608 3.475 98 HD2 PHE 12 HD2 PHE 12 -1.203 7.358 6.452 99 HE1 PHE 12 HE1 PHE 12 -4.452 5.174 3.479 100 HE2 PHE 12 HE2 PHE 12 -1.424 4.904 6.461 101 HZ PHE 12 HZ PHE 12 -3.054 3.812 4.958 102 H MET 13 H MET 13 -2.654 11.502 6.878 103 HA MET 13 HA MET 13 -3.572 13.961 5.706 104 1HB MET 13 1HB MET 13 -1.468 13.475 7.825 105 2HB MET 13 2HB MET 13 -2.141 15.042 7.398 106 1HG MET 13 1HG MET 13 -4.163 13.062 8.096 107 2HG MET 13 2HG MET 13 -3.027 13.405 9.399 108 1HE MET 13 1HE MET 13 -4.940 15.377 11.160 109 2HE MET 13 2HE MET 13 -5.134 13.760 10.484 110 3HE MET 13 3HE MET 13 -6.329 15.008 10.139 111 H ARG 14 H ARG 14 -0.604 12.060 5.664 112 HA ARG 14 HA ARG 14 0.692 14.046 3.939 113 1HB ARG 14 1HB ARG 14 1.735 11.648 5.441 114 2HB ARG 14 2HB ARG 14 2.704 12.507 4.257 115 1HG ARG 14 1HG ARG 14 3.395 13.730 5.987 116 2HG ARG 14 2HG ARG 14 1.836 14.544 5.851 117 1HD ARG 14 1HD ARG 14 1.232 13.804 7.855 118 2HD ARG 14 2HD ARG 14 1.509 12.133 7.355 119 HE ARG 14 HE ARG 14 3.996 13.193 7.922 120 1HH1 ARG 14 1HH1 ARG 14 1.021 12.615 9.675 121 2HH1 ARG 14 2HH1 ARG 14 1.819 12.392 11.196 122 1HH2 ARG 14 1HH2 ARG 14 5.039 12.893 9.926 123 2HH2 ARG 14 2HH2 ARG 14 4.098 12.550 11.339 124 H SER 15 H SER 15 1.779 13.344 2.005 125 HA SER 15 HA SER 15 0.222 11.365 0.543 126 1HB SER 15 1HB SER 15 0.561 12.662 -1.212 127 2HB SER 15 2HB SER 15 1.363 13.817 -0.153 128 HG SER 15 HG SER 15 2.430 12.072 -2.009 129 H ASP 16 H ASP 16 3.591 12.030 1.410 130 HA ASP 16 HA ASP 16 4.704 9.737 0.180 131 1HB ASP 16 1HB ASP 16 6.545 10.188 2.044 132 2HB ASP 16 2HB ASP 16 6.375 11.247 0.654 133 H HIS 17 H HIS 17 3.735 10.392 3.539 134 HA HIS 17 HA HIS 17 4.419 7.875 4.589 135 1HB HIS 17 1HB HIS 17 2.487 10.011 5.457 136 2HB HIS 17 2HB HIS 17 2.632 8.499 6.340 137 HD1 HIS 17 HD1 HIS 17 3.427 10.117 8.321 138 HD2 HIS 17 HD2 HIS 17 6.014 9.785 5.083 139 HE1 HIS 17 HE1 HIS 17 5.630 11.008 9.127 140 HE2 HIS 17 HE2 HIS 17 7.163 10.870 7.134 141 H LEU 18 H LEU 18 1.413 9.073 3.130 142 HA LEU 18 HA LEU 18 -0.203 6.852 3.659 143 1HB LEU 18 1HB LEU 18 -0.992 9.019 2.794 144 2HB LEU 18 2HB LEU 18 -0.253 8.670 1.256 145 HG LEU 18 HG LEU 18 -2.305 6.810 2.379 146 1HD1 LEU 18 1HD1 LEU 18 -3.998 8.117 1.110 147 2HD1 LEU 18 2HD1 LEU 18 -2.789 9.389 0.929 148 3HD1 LEU 18 3HD1 LEU 18 -3.364 8.945 2.532 149 1HD2 LEU 18 1HD2 LEU 18 -1.833 5.783 0.472 150 2HD2 LEU 18 2HD2 LEU 18 -0.864 7.145 -0.099 151 3HD2 LEU 18 3HD2 LEU 18 -2.610 7.138 -0.353 152 H THR 19 H THR 19 1.945 7.574 0.920 153 HA THR 19 HA THR 19 1.340 5.301 -0.581 154 HB THR 19 HB THR 19 3.964 6.808 -0.484 155 HG1 THR 19 HG1 THR 19 2.712 8.331 -1.218 156 1HG2 THR 19 1HG2 THR 19 4.129 6.117 -2.878 157 2HG2 THR 19 2HG2 THR 19 2.808 4.987 -2.577 158 3HG2 THR 19 3HG2 THR 19 4.334 4.812 -1.710 159 H LEU 20 H LEU 20 3.524 5.797 2.131 160 HA LEU 20 HA LEU 20 5.066 3.469 1.956 161 1HB LEU 20 1HB LEU 20 5.472 5.327 3.544 162 2HB LEU 20 2HB LEU 20 4.053 4.853 4.450 163 HG LEU 20 HG LEU 20 6.287 4.155 5.404 164 1HD1 LEU 20 1HD1 LEU 20 5.303 2.437 6.478 165 2HD1 LEU 20 2HD1 LEU 20 4.780 1.657 4.986 166 3HD1 LEU 20 3HD1 LEU 20 3.872 3.024 5.631 167 1HD2 LEU 20 1HD2 LEU 20 7.502 2.381 4.472 168 2HD2 LEU 20 2HD2 LEU 20 7.155 3.448 3.111 169 3HD2 LEU 20 3HD2 LEU 20 6.210 1.976 3.340 170 H HIS 21 H HIS 21 1.878 4.054 3.350 171 HA HIS 21 HA HIS 21 1.385 1.587 4.534 172 1HB HIS 21 1HB HIS 21 -0.561 2.598 4.994 173 2HB HIS 21 2HB HIS 21 -0.051 3.960 4.038 174 HD1 HIS 21 HD1 HIS 21 -2.006 4.630 2.639 175 HD2 HIS 21 HD2 HIS 21 -1.565 0.515 2.807 176 HE1 HIS 21 HE1 HIS 21 -3.862 3.649 1.238 177 H ILE 22 H ILE 22 0.683 2.687 1.262 178 HA ILE 22 HA ILE 22 -0.620 0.384 0.388 179 HB ILE 22 HB ILE 22 0.934 2.188 -1.453 180 1HG1 ILE 22 1HG1 ILE 22 -1.910 2.757 -0.826 181 2HG1 ILE 22 2HG1 ILE 22 -0.748 3.207 0.401 182 1HG2 ILE 22 1HG2 ILE 22 -0.565 -0.025 -1.991 183 2HG2 ILE 22 2HG2 ILE 22 -0.294 1.303 -3.119 184 3HG2 ILE 22 3HG2 ILE 22 -1.763 1.262 -2.139 185 1HD1 ILE 22 1HD1 ILE 22 -1.369 4.447 -2.129 186 2HD1 ILE 22 2HD1 ILE 22 0.360 4.177 -1.913 187 3HD1 ILE 22 3HD1 ILE 22 -0.548 5.099 -0.715 188 H LEU 23 H LEU 23 2.597 0.507 1.269 189 HA LEU 23 HA LEU 23 3.753 -1.121 -0.752 190 1HB LEU 23 1HB LEU 23 4.555 -0.043 1.834 191 2HB LEU 23 2HB LEU 23 5.162 -1.664 1.575 192 HG LEU 23 HG LEU 23 5.581 -0.007 -0.766 193 1HD1 LEU 23 1HD1 LEU 23 5.647 1.781 0.940 194 2HD1 LEU 23 2HD1 LEU 23 7.201 1.520 0.149 195 3HD1 LEU 23 3HD1 LEU 23 6.923 0.898 1.776 196 1HD2 LEU 23 1HD2 LEU 23 7.829 -0.859 -0.569 197 2HD2 LEU 23 2HD2 LEU 23 6.681 -2.164 -0.265 198 3HD2 LEU 23 3HD2 LEU 23 7.518 -1.393 1.083 199 H LEU 24 H LEU 24 1.990 -1.796 2.251 200 HA LEU 24 HA LEU 24 2.569 -4.573 2.321 201 1HB LEU 24 1HB LEU 24 0.274 -4.602 3.632 202 2HB LEU 24 2HB LEU 24 1.769 -4.050 4.351 203 HG LEU 24 HG LEU 24 1.052 -1.703 3.775 204 1HD1 LEU 24 1HD1 LEU 24 -1.408 -1.395 3.482 205 2HD1 LEU 24 2HD1 LEU 24 -1.539 -3.130 3.190 206 3HD1 LEU 24 3HD1 LEU 24 -0.607 -2.119 2.088 207 1HD2 LEU 24 1HD2 LEU 24 0.742 -3.112 5.965 208 2HD2 LEU 24 2HD2 LEU 24 -0.967 -2.905 5.581 209 3HD2 LEU 24 3HD2 LEU 24 0.064 -1.491 5.811 210 H HIS 25 H HIS 25 0.329 -2.731 0.416 211 HA HIS 25 HA HIS 25 -1.634 -4.615 -0.147 212 1HB HIS 25 1HB HIS 25 -0.510 -2.279 -1.613 213 2HB HIS 25 2HB HIS 25 -1.499 -3.408 -2.530 214 HD1 HIS 25 HD1 HIS 25 -3.924 -3.936 -1.112 215 HD2 HIS 25 HD2 HIS 25 -1.976 -0.308 -0.570 216 HE1 HIS 25 HE1 HIS 25 -5.648 -2.333 -0.188 217 H GLU 26 H GLU 26 1.538 -4.160 -1.680 218 HA GLU 26 HA GLU 26 1.195 -6.323 -3.530 219 1HB GLU 26 1HB GLU 26 3.569 -4.673 -2.677 220 2HB GLU 26 2HB GLU 26 3.731 -6.022 -3.793 221 1HG GLU 26 1HG GLU 26 1.603 -4.241 -4.594 222 2HG GLU 26 2HG GLU 26 3.135 -3.386 -4.420 223 H ASN 27 H ASN 27 3.007 -5.878 -0.500 224 HA ASN 27 HA ASN 27 2.941 -8.782 -0.100 225 1HB ASN 27 1HB ASN 27 5.340 -7.073 -0.350 226 2HB ASN 27 2HB ASN 27 5.350 -8.190 1.010 227 1HD2 ASN 27 1HD2 ASN 27 5.294 -10.422 0.613 228 2HD2 ASN 27 2HD2 ASN 27 5.708 -11.074 -0.932 229 H LYS 28 H LYS 28 1.512 -8.807 1.550 230 HA LYS 28 HA LYS 28 1.426 -6.852 3.615 231 1HB LYS 28 1HB LYS 28 -0.347 -8.666 2.717 232 2HB LYS 28 2HB LYS 28 0.261 -9.534 4.119 233 1HG LYS 28 1HG LYS 28 -0.397 -6.745 4.670 234 2HG LYS 28 2HG LYS 28 -1.772 -7.711 4.130 235 1HD LYS 28 1HD LYS 28 -1.565 -9.212 5.920 236 2HD LYS 28 2HD LYS 28 0.079 -8.684 6.286 237 1HE LYS 28 1HE LYS 28 -1.157 -7.679 7.967 238 2HE LYS 28 2HE LYS 28 -1.021 -6.392 6.770 239 1HZ LYS 28 1HZ LYS 28 -3.362 -8.196 7.087 240 2HZ LYS 28 2HZ LYS 28 -3.232 -6.922 5.981 241 3HZ LYS 28 3HZ LYS 28 -3.275 -6.600 7.640 242 H LYS 29 H LYS 29 1.836 -7.169 5.878 243 HA LYS 29 HA LYS 29 4.369 -8.294 6.413 244 1HB LYS 29 1HB LYS 29 3.924 -7.722 8.764 245 2HB LYS 29 2HB LYS 29 3.533 -6.392 7.683 246 1HG LYS 29 1HG LYS 29 1.148 -7.777 7.919 247 2HG LYS 29 2HG LYS 29 1.844 -7.839 9.538 248 1HD LYS 29 1HD LYS 29 1.855 -5.243 8.076 249 2HD LYS 29 2HD LYS 29 0.337 -5.816 8.772 250 1HE LYS 29 1HE LYS 29 2.853 -5.737 10.401 251 2HE LYS 29 2HE LYS 29 1.861 -4.294 10.194 252 1HZ LYS 29 1HZ LYS 29 0.982 -6.882 11.360 253 2HZ LYS 29 2HZ LYS 29 -0.030 -5.554 11.087 254 3HZ LYS 29 3HZ LYS 29 1.237 -5.435 12.199 Start of MODEL 46 1 H TYR 1 H TYR 1 -8.575 14.399 5.342 2 HA TYR 1 HA TYR 1 -7.873 11.660 4.551 3 1HB TYR 1 1HB TYR 1 -10.375 11.570 3.928 4 2HB TYR 1 2HB TYR 1 -9.949 11.358 5.620 5 HD1 TYR 1 HD1 TYR 1 -10.646 12.938 7.280 6 HD2 TYR 1 HD2 TYR 1 -11.403 13.692 3.162 7 HE1 TYR 1 HE1 TYR 1 -12.176 14.761 7.900 8 HE2 TYR 1 HE2 TYR 1 -12.931 15.518 3.770 9 HH TYR 1 HH TYR 1 -13.013 17.094 6.283 10 H LYS 2 H LYS 2 -6.530 13.654 3.414 11 HA LYS 2 HA LYS 2 -7.934 14.806 1.180 12 1HB LYS 2 1HB LYS 2 -5.392 15.172 2.479 13 2HB LYS 2 2HB LYS 2 -5.153 14.999 0.745 14 1HG LYS 2 1HG LYS 2 -7.286 16.733 0.914 15 2HG LYS 2 2HG LYS 2 -6.259 17.212 2.266 16 1HD LYS 2 1HD LYS 2 -5.049 16.737 -0.427 17 2HD LYS 2 2HD LYS 2 -5.881 18.258 -0.094 18 1HE LYS 2 1HE LYS 2 -4.417 18.568 1.883 19 2HE LYS 2 2HE LYS 2 -3.541 17.109 1.423 20 1HZ LYS 2 1HZ LYS 2 -2.406 19.089 0.652 21 2HZ LYS 2 2HZ LYS 2 -3.775 19.580 -0.211 22 3HZ LYS 2 3HZ LYS 2 -2.946 18.177 -0.667 23 H PHE 3 H PHE 3 -5.458 12.275 1.588 24 HA PHE 3 HA PHE 3 -5.724 11.542 -1.224 25 1HB PHE 3 1HB PHE 3 -3.705 11.130 0.893 26 2HB PHE 3 2HB PHE 3 -3.923 9.789 -0.215 27 HD1 PHE 3 HD1 PHE 3 -3.588 10.155 -2.666 28 HD2 PHE 3 HD2 PHE 3 -2.573 13.091 0.244 29 HE1 PHE 3 HE1 PHE 3 -2.159 11.293 -4.315 30 HE2 PHE 3 HE2 PHE 3 -1.145 14.233 -1.400 31 HZ PHE 3 HZ PHE 3 -0.936 13.335 -3.683 32 H ALA 4 H ALA 4 -5.711 9.130 -1.691 33 HA ALA 4 HA ALA 4 -7.072 7.448 0.231 34 1HB ALA 4 1HB ALA 4 -8.958 8.648 -0.693 35 2HB ALA 4 2HB ALA 4 -8.985 6.975 -1.251 36 3HB ALA 4 3HB ALA 4 -8.439 8.256 -2.332 37 H CYS 5 H CYS 5 -6.897 5.253 -0.233 38 HA CYS 5 HA CYS 5 -4.868 4.569 -2.178 39 1HB CYS 5 1HB CYS 5 -5.045 3.588 0.170 40 2HB CYS 5 2HB CYS 5 -6.399 2.643 -0.432 41 HG CYS 5 HG CYS 5 -4.775 1.029 -1.256 42 HA PRO 6 HA PRO 6 -7.694 3.341 -5.373 43 1HB PRO 6 1HB PRO 6 -6.024 1.827 -6.869 44 2HB PRO 6 2HB PRO 6 -5.912 3.590 -6.808 45 1HG PRO 6 1HG PRO 6 -4.293 1.537 -5.350 46 2HG PRO 6 2HG PRO 6 -3.751 3.017 -6.161 47 1HD PRO 6 1HD PRO 6 -4.092 2.850 -3.474 48 2HD PRO 6 2HD PRO 6 -4.335 4.356 -4.383 49 H GLU 7 H GLU 7 -6.163 1.097 -3.233 50 HA GLU 7 HA GLU 7 -7.821 -1.113 -4.224 51 1HB GLU 7 1HB GLU 7 -5.168 -0.932 -2.979 52 2HB GLU 7 2HB GLU 7 -6.181 -2.204 -2.316 53 1HG GLU 7 1HG GLU 7 -5.282 -3.401 -3.989 54 2HG GLU 7 2HG GLU 7 -6.567 -2.646 -4.931 55 H CYS 8 H CYS 8 -6.918 0.604 -1.238 56 HA CYS 8 HA CYS 8 -9.336 -0.510 0.032 57 1HB CYS 8 1HB CYS 8 -8.201 -0.354 2.176 58 2HB CYS 8 2HB CYS 8 -7.245 -1.314 1.058 59 HG CYS 8 HG CYS 8 -5.473 0.462 1.007 60 HA PRO 9 HA PRO 9 -10.573 3.656 0.852 61 1HB PRO 9 1HB PRO 9 -12.194 3.345 2.949 62 2HB PRO 9 2HB PRO 9 -12.538 2.567 1.401 63 1HG PRO 9 1HG PRO 9 -11.476 1.391 3.918 64 2HG PRO 9 2HG PRO 9 -12.524 0.663 2.690 65 1HD PRO 9 1HD PRO 9 -9.722 0.338 2.947 66 2HD PRO 9 2HD PRO 9 -10.735 -0.197 1.595 67 H LYS 10 H LYS 10 -7.911 3.201 2.030 68 HA LYS 10 HA LYS 10 -8.011 4.325 4.686 69 1HB LYS 10 1HB LYS 10 -5.593 3.896 2.920 70 2HB LYS 10 2HB LYS 10 -5.579 4.254 4.623 71 1HG LYS 10 1HG LYS 10 -6.966 1.813 3.614 72 2HG LYS 10 2HG LYS 10 -5.219 1.829 3.868 73 1HD LYS 10 1HD LYS 10 -5.433 1.751 6.100 74 2HD LYS 10 2HD LYS 10 -6.745 2.932 6.107 75 1HE LYS 10 1HE LYS 10 -7.146 0.084 5.230 76 2HE LYS 10 2HE LYS 10 -7.292 0.578 6.915 77 1HZ LYS 10 1HZ LYS 10 -8.892 1.630 4.643 78 2HZ LYS 10 2HZ LYS 10 -9.014 2.158 6.245 79 3HZ LYS 10 3HZ LYS 10 -9.440 0.572 5.843 80 H ARG 11 H ARG 11 -7.043 6.324 5.288 81 HA ARG 11 HA ARG 11 -6.698 8.321 3.181 82 1HB ARG 11 1HB ARG 11 -8.153 9.919 4.477 83 2HB ARG 11 2HB ARG 11 -9.012 8.610 3.680 84 1HG ARG 11 1HG ARG 11 -8.197 8.194 6.500 85 2HG ARG 11 2HG ARG 11 -9.512 9.324 6.182 86 1HD ARG 11 1HD ARG 11 -9.568 6.658 4.857 87 2HD ARG 11 2HD ARG 11 -9.965 6.754 6.570 88 HE ARG 11 HE ARG 11 -11.413 8.690 5.082 89 1HH1 ARG 11 1HH1 ARG 11 -11.333 5.267 5.818 90 2HH1 ARG 11 2HH1 ARG 11 -13.029 5.045 5.552 91 1HH2 ARG 11 1HH2 ARG 11 -13.649 8.392 4.740 92 2HH2 ARG 11 2HH2 ARG 11 -14.343 6.818 4.941 93 H PHE 12 H PHE 12 -5.022 9.641 3.585 94 HA PHE 12 HA PHE 12 -4.106 9.921 6.368 95 1HB PHE 12 1HB PHE 12 -2.243 9.512 4.057 96 2HB PHE 12 2HB PHE 12 -1.820 9.558 5.752 97 HD1 PHE 12 HD1 PHE 12 -4.205 7.653 3.595 98 HD2 PHE 12 HD2 PHE 12 -1.230 7.518 6.634 99 HE1 PHE 12 HE1 PHE 12 -4.402 5.220 3.667 100 HE2 PHE 12 HE2 PHE 12 -1.431 5.064 6.713 101 HZ PHE 12 HZ PHE 12 -3.019 3.913 5.212 102 H MET 13 H MET 13 -2.978 11.813 6.876 103 HA MET 13 HA MET 13 -3.682 14.098 5.259 104 1HB MET 13 1HB MET 13 -2.414 13.704 7.944 105 2HB MET 13 2HB MET 13 -2.278 15.265 7.147 106 1HG MET 13 1HG MET 13 -4.740 15.357 6.992 107 2HG MET 13 2HG MET 13 -4.823 13.846 7.895 108 1HE MET 13 1HE MET 13 -5.548 15.302 11.200 109 2HE MET 13 2HE MET 13 -5.127 13.790 10.395 110 3HE MET 13 3HE MET 13 -6.371 14.836 9.712 111 H ARG 14 H ARG 14 -0.937 12.046 5.647 112 HA ARG 14 HA ARG 14 0.862 13.983 4.376 113 1HB ARG 14 1HB ARG 14 1.518 11.248 5.491 114 2HB ARG 14 2HB ARG 14 2.665 12.479 4.987 115 1HG ARG 14 1HG ARG 14 2.713 12.760 7.252 116 2HG ARG 14 2HG ARG 14 1.453 13.916 6.817 117 1HD ARG 14 1HD ARG 14 -0.160 12.734 7.847 118 2HD ARG 14 2HD ARG 14 0.488 11.187 7.298 119 HE ARG 14 HE ARG 14 1.674 11.011 9.256 120 1HH1 ARG 14 1HH1 ARG 14 0.378 14.256 9.006 121 2HH1 ARG 14 2HH1 ARG 14 0.790 14.675 10.634 122 1HH2 ARG 14 1HH2 ARG 14 2.212 11.571 11.397 123 2HH2 ARG 14 2HH2 ARG 14 1.831 13.152 11.991 124 H SER 15 H SER 15 2.158 13.311 2.542 125 HA SER 15 HA SER 15 0.622 11.617 0.727 126 1HB SER 15 1HB SER 15 1.044 13.392 -0.542 127 2HB SER 15 2HB SER 15 2.431 13.903 0.417 128 HG SER 15 HG SER 15 2.312 12.279 -1.832 129 H ASP 16 H ASP 16 3.986 11.986 1.852 130 HA ASP 16 HA ASP 16 4.919 9.651 0.519 131 1HB ASP 16 1HB ASP 16 6.997 9.996 1.683 132 2HB ASP 16 2HB ASP 16 6.378 11.564 1.186 133 H HIS 17 H HIS 17 3.815 10.278 3.832 134 HA HIS 17 HA HIS 17 4.483 7.720 4.860 135 1HB HIS 17 1HB HIS 17 2.491 9.802 5.763 136 2HB HIS 17 2HB HIS 17 2.769 8.300 6.633 137 HD1 HIS 17 HD1 HIS 17 3.421 10.211 8.516 138 HD2 HIS 17 HD2 HIS 17 6.096 9.581 5.402 139 HE1 HIS 17 HE1 HIS 17 5.601 11.179 9.299 140 HE2 HIS 17 HE2 HIS 17 7.233 10.689 7.443 141 H LEU 18 H LEU 18 1.525 9.050 3.416 142 HA LEU 18 HA LEU 18 -0.157 6.857 3.829 143 1HB LEU 18 1HB LEU 18 -0.858 9.087 3.027 144 2HB LEU 18 2HB LEU 18 -0.117 8.753 1.483 145 HG LEU 18 HG LEU 18 -2.254 6.954 2.552 146 1HD1 LEU 18 1HD1 LEU 18 -3.359 9.000 2.702 147 2HD1 LEU 18 2HD1 LEU 18 -3.800 8.387 1.110 148 3HD1 LEU 18 3HD1 LEU 18 -2.561 9.635 1.266 149 1HD2 LEU 18 1HD2 LEU 18 -0.811 7.344 0.041 150 2HD2 LEU 18 2HD2 LEU 18 -2.559 7.186 -0.141 151 3HD2 LEU 18 3HD2 LEU 18 -1.639 5.918 0.674 152 H THR 19 H THR 19 2.023 7.632 1.136 153 HA THR 19 HA THR 19 1.391 5.438 -0.461 154 HB THR 19 HB THR 19 4.042 6.887 -0.261 155 HG1 THR 19 HG1 THR 19 1.678 7.431 -1.708 156 1HG2 THR 19 1HG2 THR 19 4.247 6.295 -2.673 157 2HG2 THR 19 2HG2 THR 19 2.894 5.185 -2.454 158 3HG2 THR 19 3HG2 THR 19 4.394 4.934 -1.562 159 H LEU 20 H LEU 20 3.552 5.766 2.295 160 HA LEU 20 HA LEU 20 5.034 3.403 2.022 161 1HB LEU 20 1HB LEU 20 5.496 5.197 3.670 162 2HB LEU 20 2HB LEU 20 4.075 4.719 4.572 163 HG LEU 20 HG LEU 20 6.314 3.933 5.462 164 1HD1 LEU 20 1HD1 LEU 20 5.298 2.209 6.498 165 2HD1 LEU 20 2HD1 LEU 20 4.709 1.504 4.992 166 3HD1 LEU 20 3HD1 LEU 20 3.869 2.879 5.709 167 1HD2 LEU 20 1HD2 LEU 20 6.113 1.871 3.282 168 2HD2 LEU 20 2HD2 LEU 20 7.410 2.094 4.455 169 3HD2 LEU 20 3HD2 LEU 20 7.164 3.284 3.176 170 H HIS 21 H HIS 21 1.873 4.028 3.462 171 HA HIS 21 HA HIS 21 1.325 1.535 4.559 172 1HB HIS 21 1HB HIS 21 -0.600 2.561 5.077 173 2HB HIS 21 2HB HIS 21 -0.045 3.960 4.199 174 HD1 HIS 21 HD1 HIS 21 -1.969 4.776 2.832 175 HD2 HIS 21 HD2 HIS 21 -1.682 0.649 2.778 176 HE1 HIS 21 HE1 HIS 21 -3.848 3.936 1.371 177 H ILE 22 H ILE 22 0.529 2.781 1.355 178 HA ILE 22 HA ILE 22 -0.861 0.607 0.393 179 HB ILE 22 HB ILE 22 0.854 2.344 -1.374 180 1HG1 ILE 22 1HG1 ILE 22 -1.979 3.035 -0.792 181 2HG1 ILE 22 2HG1 ILE 22 -0.813 3.413 0.455 182 1HG2 ILE 22 1HG2 ILE 22 -1.890 1.314 -1.971 183 2HG2 ILE 22 2HG2 ILE 22 -0.485 0.271 -2.204 184 3HG2 ILE 22 3HG2 ILE 22 -0.610 1.790 -3.088 185 1HD1 ILE 22 1HD1 ILE 22 0.358 4.362 -1.843 186 2HD1 ILE 22 2HD1 ILE 22 -0.497 5.306 -0.625 187 3HD1 ILE 22 3HD1 ILE 22 -1.354 4.727 -2.051 188 H LEU 23 H LEU 23 2.493 0.681 1.066 189 HA LEU 23 HA LEU 23 3.474 -1.114 -0.859 190 1HB LEU 23 1HB LEU 23 4.308 -0.256 1.856 191 2HB LEU 23 2HB LEU 23 4.964 -1.776 1.283 192 HG LEU 23 HG LEU 23 5.780 -0.552 -0.763 193 1HD1 LEU 23 1HD1 LEU 23 5.977 1.878 -0.618 194 2HD1 LEU 23 2HD1 LEU 23 5.040 1.868 0.875 195 3HD1 LEU 23 3HD1 LEU 23 4.289 1.371 -0.640 196 1HD2 LEU 23 1HD2 LEU 23 6.829 0.363 1.912 197 2HD2 LEU 23 2HD2 LEU 23 7.705 0.423 0.383 198 3HD2 LEU 23 3HD2 LEU 23 7.260 -1.133 1.085 199 H LEU 24 H LEU 24 1.426 -1.580 1.923 200 HA LEU 24 HA LEU 24 1.794 -4.279 2.496 201 1HB LEU 24 1HB LEU 24 -0.879 -2.873 2.440 202 2HB LEU 24 2HB LEU 24 -0.452 -4.285 3.384 203 HG LEU 24 HG LEU 24 1.147 -1.846 3.901 204 1HD1 LEU 24 1HD1 LEU 24 -0.499 -0.696 5.119 205 2HD1 LEU 24 2HD1 LEU 24 -1.628 -2.047 5.034 206 3HD1 LEU 24 3HD1 LEU 24 -1.276 -1.101 3.588 207 1HD2 LEU 24 1HD2 LEU 24 -0.184 -3.881 5.686 208 2HD2 LEU 24 2HD2 LEU 24 0.956 -2.635 6.195 209 3HD2 LEU 24 3HD2 LEU 24 1.489 -3.938 5.132 210 H HIS 25 H HIS 25 -0.407 -2.778 0.135 211 HA HIS 25 HA HIS 25 -1.538 -5.131 -0.882 212 1HB HIS 25 1HB HIS 25 -1.082 -2.572 -2.428 213 2HB HIS 25 2HB HIS 25 -2.307 -3.796 -2.739 214 HD1 HIS 25 HD1 HIS 25 -4.206 -4.000 -0.785 215 HD2 HIS 25 HD2 HIS 25 -1.848 -0.581 -0.772 216 HE1 HIS 25 HE1 HIS 25 -5.399 -2.318 0.681 217 H GLU 26 H GLU 26 1.477 -3.497 -1.667 218 HA GLU 26 HA GLU 26 2.098 -4.708 -4.096 219 1HB GLU 26 1HB GLU 26 3.343 -2.847 -2.836 220 2HB GLU 26 2HB GLU 26 4.157 -4.144 -1.972 221 1HG GLU 26 1HG GLU 26 4.825 -5.044 -4.245 222 2HG GLU 26 2HG GLU 26 4.275 -3.502 -4.900 223 H ASN 27 H ASN 27 2.548 -5.893 -0.789 224 HA ASN 27 HA ASN 27 3.912 -8.285 -1.636 225 1HB ASN 27 1HB ASN 27 4.264 -7.142 0.593 226 2HB ASN 27 2HB ASN 27 2.677 -7.737 1.069 227 1HD2 ASN 27 1HD2 ASN 27 2.383 -9.932 1.447 228 2HD2 ASN 27 2HD2 ASN 27 3.713 -11.016 1.649 229 H LYS 28 H LYS 28 0.717 -7.600 -0.187 230 HA LYS 28 HA LYS 28 -0.182 -10.288 -0.835 231 1HB LYS 28 1HB LYS 28 -2.339 -9.489 0.250 232 2HB LYS 28 2HB LYS 28 -0.924 -9.570 1.288 233 1HG LYS 28 1HG LYS 28 -0.783 -7.299 1.514 234 2HG LYS 28 2HG LYS 28 -1.555 -6.985 -0.042 235 1HD LYS 28 1HD LYS 28 -3.467 -8.320 1.528 236 2HD LYS 28 2HD LYS 28 -2.724 -7.113 2.580 237 1HE LYS 28 1HE LYS 28 -3.223 -5.967 0.001 238 2HE LYS 28 2HE LYS 28 -4.696 -6.722 0.606 239 1HZ LYS 28 1HZ LYS 28 -3.126 -4.526 1.796 240 2HZ LYS 28 2HZ LYS 28 -4.149 -5.468 2.759 241 3HZ LYS 28 3HZ LYS 28 -4.783 -4.589 1.461 242 H LYS 29 H LYS 29 -0.372 -10.419 -3.026 243 HA LYS 29 HA LYS 29 -1.684 -8.391 -4.580 244 1HB LYS 29 1HB LYS 29 -0.380 -11.004 -5.120 245 2HB LYS 29 2HB LYS 29 -1.587 -10.470 -6.279 246 1HG LYS 29 1HG LYS 29 0.470 -9.707 -7.108 247 2HG LYS 29 2HG LYS 29 -0.312 -8.289 -6.406 248 1HD LYS 29 1HD LYS 29 1.879 -8.138 -5.628 249 2HD LYS 29 2HD LYS 29 1.020 -8.879 -4.277 250 1HE LYS 29 1HE LYS 29 1.787 -11.086 -4.998 251 2HE LYS 29 2HE LYS 29 2.635 -10.351 -6.358 252 1HZ LYS 29 1HZ LYS 29 3.971 -9.093 -4.724 253 2HZ LYS 29 2HZ LYS 29 4.184 -10.767 -4.605 254 3HZ LYS 29 3HZ LYS 29 3.222 -9.955 -3.475 Start of MODEL 47 1 H TYR 1 H TYR 1 -9.508 14.415 6.047 2 HA TYR 1 HA TYR 1 -7.435 12.520 5.191 3 1HB TYR 1 1HB TYR 1 -10.449 12.529 4.879 4 2HB TYR 1 2HB TYR 1 -9.357 11.212 4.472 5 HD1 TYR 1 HD1 TYR 1 -11.813 11.775 6.591 6 HD2 TYR 1 HD2 TYR 1 -7.630 11.024 6.817 7 HE1 TYR 1 HE1 TYR 1 -12.106 10.853 8.851 8 HE2 TYR 1 HE2 TYR 1 -7.913 10.099 9.077 9 HH TYR 1 HH TYR 1 -10.413 8.972 10.306 10 H LYS 2 H LYS 2 -6.350 13.652 3.619 11 HA LYS 2 HA LYS 2 -7.889 15.025 1.550 12 1HB LYS 2 1HB LYS 2 -5.634 15.794 2.766 13 2HB LYS 2 2HB LYS 2 -4.922 14.903 1.427 14 1HG LYS 2 1HG LYS 2 -5.054 17.134 0.713 15 2HG LYS 2 2HG LYS 2 -6.377 16.298 -0.102 16 1HD LYS 2 1HD LYS 2 -7.993 17.238 1.321 17 2HD LYS 2 2HD LYS 2 -6.783 17.743 2.501 18 1HE LYS 2 1HE LYS 2 -5.932 19.410 0.975 19 2HE LYS 2 2HE LYS 2 -7.021 18.851 -0.293 20 1HZ LYS 2 1HZ LYS 2 -7.832 20.857 0.817 21 2HZ LYS 2 2HZ LYS 2 -7.884 20.033 2.293 22 3HZ LYS 2 3HZ LYS 2 -8.898 19.559 1.024 23 H PHE 3 H PHE 3 -5.362 12.502 1.770 24 HA PHE 3 HA PHE 3 -5.812 11.782 -1.005 25 1HB PHE 3 1HB PHE 3 -3.751 11.183 1.046 26 2HB PHE 3 2HB PHE 3 -4.037 9.963 -0.179 27 HD1 PHE 3 HD1 PHE 3 -3.480 10.361 -2.496 28 HD2 PHE 3 HD2 PHE 3 -2.833 13.349 0.465 29 HE1 PHE 3 HE1 PHE 3 -2.051 11.603 -4.067 30 HE2 PHE 3 HE2 PHE 3 -1.403 14.596 -1.101 31 HZ PHE 3 HZ PHE 3 -1.012 13.724 -3.371 32 H ALA 4 H ALA 4 -5.929 9.422 -1.544 33 HA ALA 4 HA ALA 4 -7.235 7.696 0.375 34 1HB ALA 4 1HB ALA 4 -8.720 8.588 -2.097 35 2HB ALA 4 2HB ALA 4 -9.112 9.041 -0.437 36 3HB ALA 4 3HB ALA 4 -9.255 7.359 -0.949 37 H CYS 5 H CYS 5 -6.820 5.588 -0.054 38 HA CYS 5 HA CYS 5 -4.994 4.935 -2.137 39 1HB CYS 5 1HB CYS 5 -5.302 3.836 0.202 40 2HB CYS 5 2HB CYS 5 -6.531 2.868 -0.595 41 HG CYS 5 HG CYS 5 -4.788 1.543 -1.726 42 HA PRO 6 HA PRO 6 -7.927 3.922 -5.323 43 1HB PRO 6 1HB PRO 6 -6.269 2.671 -7.040 44 2HB PRO 6 2HB PRO 6 -6.202 4.417 -6.775 45 1HG PRO 6 1HG PRO 6 -4.459 2.262 -5.649 46 2HG PRO 6 2HG PRO 6 -4.004 3.855 -6.277 47 1HD PRO 6 1HD PRO 6 -4.258 3.292 -3.614 48 2HD PRO 6 2HD PRO 6 -4.502 4.911 -4.304 49 H GLU 7 H GLU 7 -6.094 1.549 -3.563 50 HA GLU 7 HA GLU 7 -7.644 -0.671 -4.664 51 1HB GLU 7 1HB GLU 7 -5.065 -0.384 -3.248 52 2HB GLU 7 2HB GLU 7 -6.002 -1.811 -2.835 53 1HG GLU 7 1HG GLU 7 -5.932 -2.628 -5.031 54 2HG GLU 7 2HG GLU 7 -5.400 -1.076 -5.678 55 H CYS 8 H CYS 8 -6.827 0.802 -1.520 56 HA CYS 8 HA CYS 8 -9.208 -0.508 -0.373 57 1HB CYS 8 1HB CYS 8 -8.111 -0.535 1.753 58 2HB CYS 8 2HB CYS 8 -6.994 -1.195 0.571 59 HG CYS 8 HG CYS 8 -5.447 0.713 0.923 60 HA PRO 9 HA PRO 9 -10.703 3.492 0.778 61 1HB PRO 9 1HB PRO 9 -12.231 2.924 2.892 62 2HB PRO 9 2HB PRO 9 -12.570 2.228 1.304 63 1HG PRO 9 1HG PRO 9 -11.352 0.965 3.704 64 2HG PRO 9 2HG PRO 9 -12.381 0.248 2.454 65 1HD PRO 9 1HD PRO 9 -9.556 0.113 2.615 66 2HD PRO 9 2HD PRO 9 -10.568 -0.405 1.258 67 H LYS 10 H LYS 10 -7.985 3.126 1.839 68 HA LYS 10 HA LYS 10 -8.083 4.102 4.561 69 1HB LYS 10 1HB LYS 10 -5.731 3.639 2.713 70 2HB LYS 10 2HB LYS 10 -5.597 4.168 4.367 71 1HG LYS 10 1HG LYS 10 -7.030 1.635 3.693 72 2HG LYS 10 2HG LYS 10 -5.273 1.682 3.857 73 1HD LYS 10 1HD LYS 10 -7.082 2.768 5.995 74 2HD LYS 10 2HD LYS 10 -6.667 1.055 5.923 75 1HE LYS 10 1HE LYS 10 -4.835 1.556 7.085 76 2HE LYS 10 2HE LYS 10 -4.234 2.363 5.637 77 1HZ LYS 10 1HZ LYS 10 -5.340 4.409 6.439 78 2HZ LYS 10 2HZ LYS 10 -4.113 3.868 7.469 79 3HZ LYS 10 3HZ LYS 10 -5.733 3.609 7.878 80 H ARG 11 H ARG 11 -6.947 6.067 5.195 81 HA ARG 11 HA ARG 11 -6.739 8.165 3.179 82 1HB ARG 11 1HB ARG 11 -8.142 9.681 4.704 83 2HB ARG 11 2HB ARG 11 -9.001 8.515 3.709 84 1HG ARG 11 1HG ARG 11 -8.763 7.024 5.880 85 2HG ARG 11 2HG ARG 11 -8.645 8.605 6.654 86 1HD ARG 11 1HD ARG 11 -10.905 8.334 6.714 87 2HD ARG 11 2HD ARG 11 -10.755 9.098 5.132 88 HE ARG 11 HE ARG 11 -10.572 6.418 4.624 89 1HH1 ARG 11 1HH1 ARG 11 -12.935 8.470 6.195 90 2HH1 ARG 11 2HH1 ARG 11 -14.275 7.459 5.770 91 1HH2 ARG 11 1HH2 ARG 11 -12.342 5.094 4.062 92 2HH2 ARG 11 2HH2 ARG 11 -13.939 5.544 4.558 93 H PHE 12 H PHE 12 -5.079 9.511 3.608 94 HA PHE 12 HA PHE 12 -4.068 9.640 6.368 95 1HB PHE 12 1HB PHE 12 -2.286 9.381 3.974 96 2HB PHE 12 2HB PHE 12 -1.803 9.332 5.654 97 HD1 PHE 12 HD1 PHE 12 -4.222 7.539 3.439 98 HD2 PHE 12 HD2 PHE 12 -1.218 7.252 6.438 99 HE1 PHE 12 HE1 PHE 12 -4.419 5.103 3.388 100 HE2 PHE 12 HE2 PHE 12 -1.416 4.798 6.393 101 HZ PHE 12 HZ PHE 12 -3.019 3.723 4.852 102 H MET 13 H MET 13 -2.882 11.504 6.921 103 HA MET 13 HA MET 13 -3.709 13.874 5.497 104 1HB MET 13 1HB MET 13 -2.068 13.460 7.998 105 2HB MET 13 2HB MET 13 -2.424 15.048 7.331 106 1HG MET 13 1HG MET 13 -4.384 15.080 8.347 107 2HG MET 13 2HG MET 13 -4.855 13.573 7.564 108 1HE MET 13 1HE MET 13 -3.151 14.106 11.786 109 2HE MET 13 2HE MET 13 -3.669 15.374 10.674 110 3HE MET 13 3HE MET 13 -2.144 14.530 10.401 111 H ARG 14 H ARG 14 -0.862 11.893 5.694 112 HA ARG 14 HA ARG 14 0.767 13.924 4.345 113 1HB ARG 14 1HB ARG 14 1.534 11.246 5.527 114 2HB ARG 14 2HB ARG 14 2.653 12.368 4.769 115 1HG ARG 14 1HG ARG 14 1.071 12.834 7.289 116 2HG ARG 14 2HG ARG 14 2.808 12.551 7.164 117 1HD ARG 14 1HD ARG 14 1.284 14.921 6.084 118 2HD ARG 14 2HD ARG 14 2.367 14.913 7.480 119 HE ARG 14 HE ARG 14 4.016 14.087 5.565 120 1HH1 ARG 14 1HH1 ARG 14 1.710 16.727 5.551 121 2HH1 ARG 14 2HH1 ARG 14 2.627 17.681 4.436 122 1HH2 ARG 14 1HH2 ARG 14 5.215 15.351 4.100 123 2HH2 ARG 14 2HH2 ARG 14 4.617 16.901 3.613 124 H SER 15 H SER 15 1.947 13.374 2.420 125 HA SER 15 HA SER 15 0.405 11.645 0.663 126 1HB SER 15 1HB SER 15 0.786 13.393 -0.646 127 2HB SER 15 2HB SER 15 2.148 13.962 0.315 128 HG SER 15 HG SER 15 3.485 12.948 -0.981 129 H ASP 16 H ASP 16 3.778 12.001 1.744 130 HA ASP 16 HA ASP 16 4.739 9.723 0.349 131 1HB ASP 16 1HB ASP 16 6.279 11.460 1.017 132 2HB ASP 16 2HB ASP 16 5.866 11.218 2.707 133 H HIS 17 H HIS 17 3.909 10.253 3.774 134 HA HIS 17 HA HIS 17 4.425 7.676 4.707 135 1HB HIS 17 1HB HIS 17 2.391 9.708 5.637 136 2HB HIS 17 2HB HIS 17 2.763 8.229 6.508 137 HD1 HIS 17 HD1 HIS 17 3.270 10.524 8.179 138 HD2 HIS 17 HD2 HIS 17 6.095 9.314 5.381 139 HE1 HIS 17 HE1 HIS 17 5.449 11.511 8.953 140 HE2 HIS 17 HE2 HIS 17 7.120 10.859 7.183 141 H LEU 18 H LEU 18 1.473 9.030 3.269 142 HA LEU 18 HA LEU 18 -0.221 6.845 3.660 143 1HB LEU 18 1HB LEU 18 -0.915 9.076 2.874 144 2HB LEU 18 2HB LEU 18 -0.168 8.756 1.329 145 HG LEU 18 HG LEU 18 -2.287 6.920 2.358 146 1HD1 LEU 18 1HD1 LEU 18 -3.850 8.409 0.961 147 2HD1 LEU 18 2HD1 LEU 18 -2.631 9.659 1.226 148 3HD1 LEU 18 3HD1 LEU 18 -3.441 8.916 2.600 149 1HD2 LEU 18 1HD2 LEU 18 -2.608 7.298 -0.333 150 2HD2 LEU 18 2HD2 LEU 18 -1.728 5.967 0.426 151 3HD2 LEU 18 3HD2 LEU 18 -0.858 7.398 -0.133 152 H THR 19 H THR 19 1.916 7.636 0.929 153 HA THR 19 HA THR 19 1.283 5.384 -0.605 154 HB THR 19 HB THR 19 3.916 6.880 -0.578 155 HG1 THR 19 HG1 THR 19 2.669 8.475 -1.149 156 1HG2 THR 19 1HG2 THR 19 2.584 5.190 -2.670 157 2HG2 THR 19 2HG2 THR 19 4.177 4.975 -1.945 158 3HG2 THR 19 3HG2 THR 19 3.877 6.334 -3.027 159 H LEU 20 H LEU 20 3.482 5.868 2.081 160 HA LEU 20 HA LEU 20 5.055 3.550 1.810 161 1HB LEU 20 1HB LEU 20 5.284 5.576 3.427 162 2HB LEU 20 2HB LEU 20 4.226 4.655 4.479 163 HG LEU 20 HG LEU 20 5.999 2.753 4.118 164 1HD1 LEU 20 1HD1 LEU 20 7.285 3.936 2.415 165 2HD1 LEU 20 2HD1 LEU 20 8.264 3.619 3.848 166 3HD1 LEU 20 3HD1 LEU 20 7.619 5.235 3.562 167 1HD2 LEU 20 1HD2 LEU 20 6.383 5.167 5.881 168 2HD2 LEU 20 2HD2 LEU 20 7.282 3.660 6.059 169 3HD2 LEU 20 3HD2 LEU 20 5.531 3.674 6.275 170 H HIS 21 H HIS 21 1.839 4.107 3.075 171 HA HIS 21 HA HIS 21 1.431 1.673 4.418 172 1HB HIS 21 1HB HIS 21 -0.525 2.673 4.871 173 2HB HIS 21 2HB HIS 21 -0.052 4.009 3.863 174 HD1 HIS 21 HD1 HIS 21 -2.059 4.595 2.493 175 HD2 HIS 21 HD2 HIS 21 -1.490 0.501 2.735 176 HE1 HIS 21 HE1 HIS 21 -3.901 3.528 1.136 177 H ILE 22 H ILE 22 0.723 2.705 1.135 178 HA ILE 22 HA ILE 22 -0.534 0.359 0.287 179 HB ILE 22 HB ILE 22 0.959 2.189 -1.581 180 1HG1 ILE 22 1HG1 ILE 22 -1.886 2.719 -0.935 181 2HG1 ILE 22 2HG1 ILE 22 -0.732 3.175 0.295 182 1HG2 ILE 22 1HG2 ILE 22 -0.494 -0.059 -2.087 183 2HG2 ILE 22 2HG2 ILE 22 -0.284 1.272 -3.224 184 3HG2 ILE 22 3HG2 ILE 22 -1.730 1.193 -2.215 185 1HD1 ILE 22 1HD1 ILE 22 0.398 4.203 -1.952 186 2HD1 ILE 22 2HD1 ILE 22 -0.623 5.085 -0.816 187 3HD1 ILE 22 3HD1 ILE 22 -1.325 4.389 -2.275 188 H LEU 23 H LEU 23 2.636 0.559 1.213 189 HA LEU 23 HA LEU 23 3.886 -1.040 -0.781 190 1HB LEU 23 1HB LEU 23 4.729 0.372 1.452 191 2HB LEU 23 2HB LEU 23 5.009 -1.302 1.879 192 HG LEU 23 HG LEU 23 6.259 -1.516 -0.327 193 1HD1 LEU 23 1HD1 LEU 23 5.385 0.499 -1.388 194 2HD1 LEU 23 2HD1 LEU 23 7.143 0.557 -1.270 195 3HD1 LEU 23 3HD1 LEU 23 6.154 1.494 -0.150 196 1HD2 LEU 23 1HD2 LEU 23 7.414 0.386 1.706 197 2HD2 LEU 23 2HD2 LEU 23 8.302 -0.683 0.620 198 3HD2 LEU 23 3HD2 LEU 23 7.315 -1.361 1.915 199 H LEU 24 H LEU 24 2.074 -1.710 2.175 200 HA LEU 24 HA LEU 24 2.730 -4.486 2.271 201 1HB LEU 24 1HB LEU 24 0.504 -4.531 3.679 202 2HB LEU 24 2HB LEU 24 2.013 -3.932 4.328 203 HG LEU 24 HG LEU 24 1.211 -1.610 3.733 204 1HD1 LEU 24 1HD1 LEU 24 -1.387 -3.095 3.348 205 2HD1 LEU 24 2HD1 LEU 24 -0.522 -2.154 2.135 206 3HD1 LEU 24 3HD1 LEU 24 -1.245 -1.346 3.524 207 1HD2 LEU 24 1HD2 LEU 24 0.319 -1.373 5.811 208 2HD2 LEU 24 2HD2 LEU 24 1.049 -2.971 5.970 209 3HD2 LEU 24 3HD2 LEU 24 -0.681 -2.819 5.667 210 H HIS 25 H HIS 25 0.472 -2.676 0.389 211 HA HIS 25 HA HIS 25 -1.542 -4.537 -0.073 212 1HB HIS 25 1HB HIS 25 -0.446 -2.213 -1.543 213 2HB HIS 25 2HB HIS 25 -1.365 -3.364 -2.507 214 HD1 HIS 25 HD1 HIS 25 -3.812 -3.992 -1.118 215 HD2 HIS 25 HD2 HIS 25 -2.022 -0.276 -0.611 216 HE1 HIS 25 HE1 HIS 25 -5.620 -2.437 -0.272 217 H GLU 26 H GLU 26 1.666 -4.277 -1.529 218 HA GLU 26 HA GLU 26 1.275 -6.266 -3.517 219 1HB GLU 26 1HB GLU 26 3.217 -4.419 -3.011 220 2HB GLU 26 2HB GLU 26 4.018 -5.897 -2.497 221 1HG GLU 26 1HG GLU 26 2.739 -5.494 -5.191 222 2HG GLU 26 2HG GLU 26 4.457 -5.285 -4.851 223 H ASN 27 H ASN 27 2.773 -6.352 -0.283 224 HA ASN 27 HA ASN 27 2.589 -9.293 -0.370 225 1HB ASN 27 1HB ASN 27 4.434 -9.083 1.484 226 2HB ASN 27 2HB ASN 27 4.878 -8.973 -0.215 227 1HD2 ASN 27 1HD2 ASN 27 5.578 -7.026 -1.049 228 2HD2 ASN 27 2HD2 ASN 27 5.970 -5.671 -0.053 229 H LYS 28 H LYS 28 0.762 -9.773 0.690 230 HA LYS 28 HA LYS 28 0.079 -8.332 3.142 231 1HB LYS 28 1HB LYS 28 -1.484 -10.352 1.523 232 2HB LYS 28 2HB LYS 28 -2.078 -9.556 2.974 233 1HG LYS 28 1HG LYS 28 -1.539 -7.371 1.659 234 2HG LYS 28 2HG LYS 28 -1.613 -8.432 0.252 235 1HD LYS 28 1HD LYS 28 -3.802 -8.313 2.313 236 2HD LYS 28 2HD LYS 28 -3.768 -7.256 0.900 237 1HE LYS 28 1HE LYS 28 -3.567 -9.380 -0.487 238 2HE LYS 28 2HE LYS 28 -3.991 -10.255 0.984 239 1HZ LYS 28 1HZ LYS 28 -5.645 -8.199 -0.380 240 2HZ LYS 28 2HZ LYS 28 -6.047 -8.941 1.086 241 3HZ LYS 28 3HZ LYS 28 -5.949 -9.863 -0.329 242 H LYS 29 H LYS 29 -0.898 -9.713 4.933 243 HA LYS 29 HA LYS 29 1.085 -11.523 5.865 244 1HB LYS 29 1HB LYS 29 -0.797 -9.995 7.085 245 2HB LYS 29 2HB LYS 29 -1.562 -11.575 7.183 246 1HG LYS 29 1HG LYS 29 1.234 -11.673 7.943 247 2HG LYS 29 2HG LYS 29 0.312 -10.534 8.925 248 1HD LYS 29 1HD LYS 29 -1.403 -12.589 8.932 249 2HD LYS 29 2HD LYS 29 0.104 -13.483 8.728 250 1HE LYS 29 1HE LYS 29 -0.024 -13.400 11.015 251 2HE LYS 29 2HE LYS 29 0.912 -11.941 10.694 252 1HZ LYS 29 1HZ LYS 29 -2.011 -12.077 11.210 253 2HZ LYS 29 2HZ LYS 29 -1.167 -10.667 10.811 254 3HZ LYS 29 3HZ LYS 29 -0.832 -11.472 12.261 Start of MODEL 48 1 H TYR 1 H TYR 1 -9.164 14.309 5.954 2 HA TYR 1 HA TYR 1 -7.524 12.021 5.101 3 1HB TYR 1 1HB TYR 1 -9.843 11.475 3.951 4 2HB TYR 1 2HB TYR 1 -9.499 10.940 5.588 5 HD1 TYR 1 HD1 TYR 1 -11.443 13.279 3.534 6 HD2 TYR 1 HD2 TYR 1 -10.663 11.902 7.483 7 HE1 TYR 1 HE1 TYR 1 -13.474 14.415 4.325 8 HE2 TYR 1 HE2 TYR 1 -12.692 13.033 8.285 9 HH TYR 1 HH TYR 1 -15.084 13.820 6.769 10 H LYS 2 H LYS 2 -6.242 13.212 3.735 11 HA LYS 2 HA LYS 2 -7.518 14.959 1.769 12 1HB LYS 2 1HB LYS 2 -5.371 15.527 3.107 13 2HB LYS 2 2HB LYS 2 -4.561 14.462 1.966 14 1HG LYS 2 1HG LYS 2 -4.277 16.574 1.049 15 2HG LYS 2 2HG LYS 2 -5.640 15.911 0.145 16 1HD LYS 2 1HD LYS 2 -6.478 17.980 0.651 17 2HD LYS 2 2HD LYS 2 -7.029 17.081 2.065 18 1HE LYS 2 1HE LYS 2 -6.091 18.887 3.101 19 2HE LYS 2 2HE LYS 2 -4.684 17.828 3.020 20 1HZ LYS 2 1HZ LYS 2 -5.328 20.016 1.115 21 2HZ LYS 2 2HZ LYS 2 -3.991 18.986 1.003 22 3HZ LYS 2 3HZ LYS 2 -4.126 20.055 2.306 23 H PHE 3 H PHE 3 -5.315 12.153 1.850 24 HA PHE 3 HA PHE 3 -5.837 11.694 -0.998 25 1HB PHE 3 1HB PHE 3 -3.603 11.143 0.826 26 2HB PHE 3 2HB PHE 3 -3.990 9.818 -0.255 27 HD1 PHE 3 HD1 PHE 3 -3.850 10.130 -2.700 28 HD2 PHE 3 HD2 PHE 3 -2.603 13.146 0.031 29 HE1 PHE 3 HE1 PHE 3 -2.599 11.240 -4.503 30 HE2 PHE 3 HE2 PHE 3 -1.351 14.263 -1.769 31 HZ PHE 3 HZ PHE 3 -1.348 13.310 -4.039 32 H ALA 4 H ALA 4 -5.823 9.271 -1.590 33 HA ALA 4 HA ALA 4 -7.131 7.534 0.329 34 1HB ALA 4 1HB ALA 4 -9.075 7.104 -1.113 35 2HB ALA 4 2HB ALA 4 -8.536 8.382 -2.201 36 3HB ALA 4 3HB ALA 4 -9.023 8.775 -0.553 37 H CYS 5 H CYS 5 -6.847 5.374 -0.124 38 HA CYS 5 HA CYS 5 -4.883 4.725 -2.124 39 1HB CYS 5 1HB CYS 5 -5.032 3.680 0.186 40 2HB CYS 5 2HB CYS 5 -6.419 2.778 -0.400 41 HG CYS 5 HG CYS 5 -3.911 1.604 -0.585 42 HA PRO 6 HA PRO 6 -7.764 3.576 -5.308 43 1HB PRO 6 1HB PRO 6 -6.092 2.217 -6.932 44 2HB PRO 6 2HB PRO 6 -6.021 3.975 -6.763 45 1HG PRO 6 1HG PRO 6 -4.310 1.877 -5.482 46 2HG PRO 6 2HG PRO 6 -3.832 3.423 -6.206 47 1HD PRO 6 1HD PRO 6 -4.112 3.053 -3.522 48 2HD PRO 6 2HD PRO 6 -4.377 4.617 -4.321 49 H GLU 7 H GLU 7 -6.081 1.293 -3.327 50 HA GLU 7 HA GLU 7 -7.643 -0.946 -4.393 51 1HB GLU 7 1HB GLU 7 -4.981 -0.717 -3.449 52 2HB GLU 7 2HB GLU 7 -5.845 -1.731 -2.302 53 1HG GLU 7 1HG GLU 7 -6.541 -2.555 -4.932 54 2HG GLU 7 2HG GLU 7 -4.786 -2.429 -4.825 55 H CYS 8 H CYS 8 -6.906 0.749 -1.351 56 HA CYS 8 HA CYS 8 -9.311 -0.494 -0.176 57 1HB CYS 8 1HB CYS 8 -8.234 -0.440 1.994 58 2HB CYS 8 2HB CYS 8 -7.217 -1.308 0.854 59 HG CYS 8 HG CYS 8 -5.483 0.486 0.987 60 HA PRO 9 HA PRO 9 -10.637 3.604 0.812 61 1HB PRO 9 1HB PRO 9 -12.256 3.187 2.892 62 2HB PRO 9 2HB PRO 9 -12.579 2.454 1.317 63 1HG PRO 9 1HG PRO 9 -11.489 1.219 3.794 64 2HG PRO 9 2HG PRO 9 -12.531 0.512 2.548 65 1HD PRO 9 1HD PRO 9 -9.729 0.220 2.778 66 2HD PRO 9 2HD PRO 9 -10.735 -0.270 1.405 67 H LYS 10 H LYS 10 -7.969 3.207 1.951 68 HA LYS 10 HA LYS 10 -8.122 4.274 4.643 69 1HB LYS 10 1HB LYS 10 -5.671 3.792 2.933 70 2HB LYS 10 2HB LYS 10 -5.685 4.173 4.630 71 1HG LYS 10 1HG LYS 10 -7.096 1.745 3.625 72 2HG LYS 10 2HG LYS 10 -5.357 1.731 3.920 73 1HD LYS 10 1HD LYS 10 -6.696 2.930 6.151 74 2HD LYS 10 2HD LYS 10 -7.441 1.373 5.786 75 1HE LYS 10 1HE LYS 10 -5.214 0.323 5.833 76 2HE LYS 10 2HE LYS 10 -4.505 1.881 6.258 77 1HZ LYS 10 1HZ LYS 10 -4.848 0.487 8.205 78 2HZ LYS 10 2HZ LYS 10 -6.505 0.398 7.882 79 3HZ LYS 10 3HZ LYS 10 -5.802 1.881 8.294 80 H ARG 11 H ARG 11 -7.102 6.261 5.262 81 HA ARG 11 HA ARG 11 -6.739 8.254 3.146 82 1HB ARG 11 1HB ARG 11 -8.120 9.875 4.539 83 2HB ARG 11 2HB ARG 11 -9.011 8.643 3.659 84 1HG ARG 11 1HG ARG 11 -8.242 8.090 6.480 85 2HG ARG 11 2HG ARG 11 -9.562 9.216 6.165 86 1HD ARG 11 1HD ARG 11 -9.845 6.873 4.524 87 2HD ARG 11 2HD ARG 11 -9.665 6.410 6.216 88 HE ARG 11 HE ARG 11 -11.558 8.528 5.834 89 1HH1 ARG 11 1HH1 ARG 11 -11.148 5.051 5.745 90 2HH1 ARG 11 2HH1 ARG 11 -12.822 4.724 6.042 91 1HH2 ARG 11 1HH2 ARG 11 -13.762 8.088 6.224 92 2HH2 ARG 11 2HH2 ARG 11 -14.305 6.446 6.312 93 H PHE 12 H PHE 12 -5.079 9.614 3.532 94 HA PHE 12 HA PHE 12 -4.072 9.838 6.286 95 1HB PHE 12 1HB PHE 12 -2.301 9.405 3.906 96 2HB PHE 12 2HB PHE 12 -1.794 9.486 5.577 97 HD1 PHE 12 HD1 PHE 12 -4.271 7.553 3.559 98 HD2 PHE 12 HD2 PHE 12 -1.203 7.458 6.504 99 HE1 PHE 12 HE1 PHE 12 -4.493 5.126 3.696 100 HE2 PHE 12 HE2 PHE 12 -1.427 5.008 6.648 101 HZ PHE 12 HZ PHE 12 -3.075 3.840 5.226 102 H MET 13 H MET 13 -2.854 11.706 6.759 103 HA MET 13 HA MET 13 -3.670 14.028 5.269 104 1HB MET 13 1HB MET 13 -1.849 13.765 7.670 105 2HB MET 13 2HB MET 13 -2.435 15.285 7.012 106 1HG MET 13 1HG MET 13 -4.733 14.607 7.511 107 2HG MET 13 2HG MET 13 -4.133 13.095 8.188 108 1HE MET 13 1HE MET 13 -5.929 15.520 9.040 109 2HE MET 13 2HE MET 13 -4.966 16.943 9.438 110 3HE MET 13 3HE MET 13 -5.574 15.902 10.726 111 H ARG 14 H ARG 14 -0.774 12.082 5.549 112 HA ARG 14 HA ARG 14 0.765 14.014 3.968 113 1HB ARG 14 1HB ARG 14 1.567 11.542 5.503 114 2HB ARG 14 2HB ARG 14 2.667 12.391 4.433 115 1HG ARG 14 1HG ARG 14 3.184 13.223 6.535 116 2HG ARG 14 2HG ARG 14 2.142 14.466 5.841 117 1HD ARG 14 1HD ARG 14 1.597 13.949 8.196 118 2HD ARG 14 2HD ARG 14 0.252 13.648 7.093 119 HE ARG 14 HE ARG 14 1.744 11.277 7.483 120 1HH1 ARG 14 1HH1 ARG 14 -0.508 13.376 9.146 121 2HH1 ARG 14 2HH1 ARG 14 -1.148 12.109 10.137 122 1HH2 ARG 14 1HH2 ARG 14 0.900 9.610 8.792 123 2HH2 ARG 14 2HH2 ARG 14 -0.347 9.971 9.938 124 H SER 15 H SER 15 2.006 13.240 2.131 125 HA SER 15 HA SER 15 0.465 11.345 0.539 126 1HB SER 15 1HB SER 15 0.834 12.915 -0.975 127 2HB SER 15 2HB SER 15 2.113 13.671 -0.027 128 HG SER 15 HG SER 15 3.571 12.599 -1.137 129 H ASP 16 H ASP 16 3.794 11.880 1.632 130 HA ASP 16 HA ASP 16 4.880 9.534 0.469 131 1HB ASP 16 1HB ASP 16 6.643 9.932 2.419 132 2HB ASP 16 2HB ASP 16 6.588 10.976 1.007 133 H HIS 17 H HIS 17 3.768 10.254 3.774 134 HA HIS 17 HA HIS 17 4.307 7.726 4.873 135 1HB HIS 17 1HB HIS 17 2.384 9.917 5.614 136 2HB HIS 17 2HB HIS 17 2.433 8.406 6.508 137 HD1 HIS 17 HD1 HIS 17 3.162 9.956 8.550 138 HD2 HIS 17 HD2 HIS 17 5.905 9.646 5.442 139 HE1 HIS 17 HE1 HIS 17 5.331 10.803 9.481 140 HE2 HIS 17 HE2 HIS 17 6.957 10.691 7.562 141 H LEU 18 H LEU 18 1.398 9.013 3.286 142 HA LEU 18 HA LEU 18 -0.284 6.817 3.701 143 1HB LEU 18 1HB LEU 18 -0.914 9.065 2.783 144 2HB LEU 18 2HB LEU 18 -0.226 8.576 1.257 145 HG LEU 18 HG LEU 18 -2.345 6.889 2.503 146 1HD1 LEU 18 1HD1 LEU 18 -3.915 8.321 1.012 147 2HD1 LEU 18 2HD1 LEU 18 -2.685 9.565 1.245 148 3HD1 LEU 18 3HD1 LEU 18 -3.507 8.870 2.636 149 1HD2 LEU 18 1HD2 LEU 18 -2.777 7.067 -0.189 150 2HD2 LEU 18 2HD2 LEU 18 -1.881 5.785 0.630 151 3HD2 LEU 18 3HD2 LEU 18 -1.019 7.156 -0.073 152 H THR 19 H THR 19 1.962 7.545 1.040 153 HA THR 19 HA THR 19 1.398 5.275 -0.487 154 HB THR 19 HB THR 19 3.999 6.817 -0.315 155 HG1 THR 19 HG1 THR 19 1.745 7.148 -2.006 156 1HG2 THR 19 1HG2 THR 19 4.467 4.827 -1.508 157 2HG2 THR 19 2HG2 THR 19 4.256 6.107 -2.701 158 3HG2 THR 19 3HG2 THR 19 2.962 4.942 -2.420 159 H LEU 20 H LEU 20 3.487 5.771 2.295 160 HA LEU 20 HA LEU 20 5.031 3.432 2.138 161 1HB LEU 20 1HB LEU 20 5.325 5.388 3.726 162 2HB LEU 20 2HB LEU 20 4.029 4.704 4.686 163 HG LEU 20 HG LEU 20 6.153 2.780 4.108 164 1HD1 LEU 20 1HD1 LEU 20 7.540 4.786 4.214 165 2HD1 LEU 20 2HD1 LEU 20 7.795 3.757 5.623 166 3HD1 LEU 20 3HD1 LEU 20 6.811 5.214 5.761 167 1HD2 LEU 20 1HD2 LEU 20 5.924 2.332 6.480 168 2HD2 LEU 20 2HD2 LEU 20 4.334 2.435 5.724 169 3HD2 LEU 20 3HD2 LEU 20 4.944 3.784 6.681 170 H HIS 21 H HIS 21 1.781 4.040 3.344 171 HA HIS 21 HA HIS 21 1.315 1.554 4.574 172 1HB HIS 21 1HB HIS 21 -0.621 2.560 5.092 173 2HB HIS 21 2HB HIS 21 -0.099 3.953 4.190 174 HD1 HIS 21 HD1 HIS 21 -2.046 4.712 2.828 175 HD2 HIS 21 HD2 HIS 21 -1.674 0.594 2.819 176 HE1 HIS 21 HE1 HIS 21 -3.920 3.816 1.400 177 H ILE 22 H ILE 22 0.479 2.783 1.374 178 HA ILE 22 HA ILE 22 -0.861 0.578 0.402 179 HB ILE 22 HB ILE 22 0.815 2.371 -1.346 180 1HG1 ILE 22 1HG1 ILE 22 -2.034 2.983 -0.780 181 2HG1 ILE 22 2HG1 ILE 22 -0.894 3.369 0.488 182 1HG2 ILE 22 1HG2 ILE 22 -0.470 0.266 -2.192 183 2HG2 ILE 22 2HG2 ILE 22 -0.615 1.786 -3.074 184 3HG2 ILE 22 3HG2 ILE 22 -1.897 1.280 -1.970 185 1HD1 ILE 22 1HD1 ILE 22 -0.489 5.258 -0.546 186 2HD1 ILE 22 2HD1 ILE 22 -1.488 4.775 -1.914 187 3HD1 ILE 22 3HD1 ILE 22 0.221 4.346 -1.875 188 H LEU 23 H LEU 23 2.500 0.780 1.044 189 HA LEU 23 HA LEU 23 3.501 -1.022 -0.870 190 1HB LEU 23 1HB LEU 23 4.403 0.107 1.678 191 2HB LEU 23 2HB LEU 23 5.007 -1.512 1.385 192 HG LEU 23 HG LEU 23 5.822 -0.677 -0.864 193 1HD1 LEU 23 1HD1 LEU 23 6.152 1.741 -1.079 194 2HD1 LEU 23 2HD1 LEU 23 5.227 1.995 0.401 195 3HD1 LEU 23 3HD1 LEU 23 4.441 1.316 -1.025 196 1HD2 LEU 23 1HD2 LEU 23 7.263 -1.029 1.126 197 2HD2 LEU 23 2HD2 LEU 23 7.020 0.664 1.555 198 3HD2 LEU 23 3HD2 LEU 23 7.841 0.245 0.052 199 H LEU 24 H LEU 24 1.507 -1.494 1.935 200 HA LEU 24 HA LEU 24 2.050 -4.165 2.582 201 1HB LEU 24 1HB LEU 24 -0.685 -2.885 2.638 202 2HB LEU 24 2HB LEU 24 -0.132 -4.238 3.601 203 HG LEU 24 HG LEU 24 1.362 -1.710 3.963 204 1HD1 LEU 24 1HD1 LEU 24 -1.105 -1.081 3.730 205 2HD1 LEU 24 2HD1 LEU 24 -0.285 -0.588 5.211 206 3HD1 LEU 24 3HD1 LEU 24 -1.355 -1.989 5.223 207 1HD2 LEU 24 1HD2 LEU 24 1.304 -2.422 6.289 208 2HD2 LEU 24 2HD2 LEU 24 1.848 -3.740 5.251 209 3HD2 LEU 24 3HD2 LEU 24 0.199 -3.734 5.876 210 H HIS 25 H HIS 25 -0.282 -2.782 0.289 211 HA HIS 25 HA HIS 25 -1.510 -5.100 -0.596 212 1HB HIS 25 1HB HIS 25 -0.884 -2.622 -2.219 213 2HB HIS 25 2HB HIS 25 -2.093 -3.836 -2.623 214 HD1 HIS 25 HD1 HIS 25 -3.984 -4.107 -0.535 215 HD2 HIS 25 HD2 HIS 25 -1.921 -0.520 -0.927 216 HE1 HIS 25 HE1 HIS 25 -5.327 -2.370 0.719 217 H GLU 26 H GLU 26 1.384 -3.511 -1.949 218 HA GLU 26 HA GLU 26 1.801 -5.537 -3.927 219 1HB GLU 26 1HB GLU 26 3.615 -3.354 -2.885 220 2HB GLU 26 2HB GLU 26 4.017 -4.409 -4.233 221 1HG GLU 26 1HG GLU 26 1.963 -3.578 -5.388 222 2HG GLU 26 2HG GLU 26 1.785 -2.401 -4.087 223 H ASN 27 H ASN 27 3.643 -4.642 -1.002 224 HA ASN 27 HA ASN 27 4.751 -7.367 -0.941 225 1HB ASN 27 1HB ASN 27 5.790 -4.954 0.555 226 2HB ASN 27 2HB ASN 27 6.602 -6.497 0.313 227 1HD2 ASN 27 1HD2 ASN 27 5.754 -3.447 -1.098 228 2HD2 ASN 27 2HD2 ASN 27 6.747 -3.589 -2.503 229 H LYS 28 H LYS 28 3.590 -8.652 0.343 230 HA LYS 28 HA LYS 28 2.240 -7.568 2.686 231 1HB LYS 28 1HB LYS 28 2.172 -10.289 1.377 232 2HB LYS 28 2HB LYS 28 1.302 -9.902 2.856 233 1HG LYS 28 1HG LYS 28 -0.276 -8.698 1.779 234 2HG LYS 28 2HG LYS 28 0.855 -8.091 0.569 235 1HD LYS 28 1HD LYS 28 0.816 -10.710 -0.081 236 2HD LYS 28 2HD LYS 28 -0.818 -10.522 0.557 237 1HE LYS 28 1HE LYS 28 -1.212 -8.668 -0.982 238 2HE LYS 28 2HE LYS 28 0.428 -8.829 -1.607 239 1HZ LYS 28 1HZ LYS 28 -0.126 -11.046 -2.390 240 2HZ LYS 28 2HZ LYS 28 -1.181 -9.902 -3.051 241 3HZ LYS 28 3HZ LYS 28 -1.699 -10.896 -1.785 242 H LYS 29 H LYS 29 2.789 -7.958 4.763 243 HA LYS 29 HA LYS 29 5.326 -9.348 5.225 244 1HB LYS 29 1HB LYS 29 5.217 -8.242 7.481 245 2HB LYS 29 2HB LYS 29 5.330 -7.140 6.118 246 1HG LYS 29 1HG LYS 29 3.274 -6.267 6.472 247 2HG LYS 29 2HG LYS 29 2.606 -7.787 7.069 248 1HD LYS 29 1HD LYS 29 2.789 -6.978 9.134 249 2HD LYS 29 2HD LYS 29 4.543 -7.027 8.944 250 1HE LYS 29 1HE LYS 29 4.443 -4.755 7.947 251 2HE LYS 29 2HE LYS 29 2.716 -4.716 8.293 252 1HZ LYS 29 1HZ LYS 29 3.227 -4.957 10.649 253 2HZ LYS 29 2HZ LYS 29 3.972 -3.582 10.006 254 3HZ LYS 29 3HZ LYS 29 4.884 -4.973 10.307 Start of MODEL 49 1 H TYR 1 H TYR 1 -9.320 13.911 6.595 2 HA TYR 1 HA TYR 1 -7.954 11.649 5.310 3 1HB TYR 1 1HB TYR 1 -10.703 12.741 4.742 4 2HB TYR 1 2HB TYR 1 -10.080 11.122 4.452 5 HD1 TYR 1 HD1 TYR 1 -12.112 13.080 6.537 6 HD2 TYR 1 HD2 TYR 1 -9.410 9.797 6.651 7 HE1 TYR 1 HE1 TYR 1 -13.118 12.333 8.652 8 HE2 TYR 1 HE2 TYR 1 -10.408 9.040 8.764 9 HH TYR 1 HH TYR 1 -11.947 10.656 10.755 10 H LYS 2 H LYS 2 -6.370 12.768 4.152 11 HA LYS 2 HA LYS 2 -7.226 14.940 2.395 12 1HB LYS 2 1HB LYS 2 -5.012 14.772 3.862 13 2HB LYS 2 2HB LYS 2 -4.411 13.970 2.417 14 1HG LYS 2 1HG LYS 2 -5.763 16.320 1.597 15 2HG LYS 2 2HG LYS 2 -4.690 16.747 2.931 16 1HD LYS 2 1HD LYS 2 -3.390 16.994 0.983 17 2HD LYS 2 2HD LYS 2 -2.881 15.460 1.692 18 1HE LYS 2 1HE LYS 2 -3.137 15.204 -0.696 19 2HE LYS 2 2HE LYS 2 -4.383 14.275 0.134 20 1HZ LYS 2 1HZ LYS 2 -4.893 17.011 -0.873 21 2HZ LYS 2 2HZ LYS 2 -6.017 15.819 -0.453 22 3HZ LYS 2 3HZ LYS 2 -5.091 15.648 -1.858 23 H PHE 3 H PHE 3 -5.362 11.897 2.083 24 HA PHE 3 HA PHE 3 -6.100 11.821 -0.758 25 1HB PHE 3 1HB PHE 3 -3.742 10.962 0.783 26 2HB PHE 3 2HB PHE 3 -4.286 9.807 -0.418 27 HD1 PHE 3 HD1 PHE 3 -4.874 10.947 -2.778 28 HD2 PHE 3 HD2 PHE 3 -2.172 12.488 0.128 29 HE1 PHE 3 HE1 PHE 3 -3.722 12.230 -4.533 30 HE2 PHE 3 HE2 PHE 3 -1.017 13.776 -1.622 31 HZ PHE 3 HZ PHE 3 -1.793 13.648 -3.956 32 H ALA 4 H ALA 4 -6.169 9.422 -1.578 33 HA ALA 4 HA ALA 4 -7.540 7.638 0.276 34 1HB ALA 4 1HB ALA 4 -8.817 8.592 -2.286 35 2HB ALA 4 2HB ALA 4 -9.353 8.970 -0.648 36 3HB ALA 4 3HB ALA 4 -9.440 7.312 -1.243 37 H CYS 5 H CYS 5 -6.946 5.574 -0.057 38 HA CYS 5 HA CYS 5 -5.063 4.917 -2.081 39 1HB CYS 5 1HB CYS 5 -5.344 3.858 0.254 40 2HB CYS 5 2HB CYS 5 -6.600 2.879 -0.487 41 HG CYS 5 HG CYS 5 -4.771 1.374 -1.086 42 HA PRO 6 HA PRO 6 -7.877 3.818 -5.340 43 1HB PRO 6 1HB PRO 6 -6.161 2.474 -6.942 44 2HB PRO 6 2HB PRO 6 -6.118 4.233 -6.766 45 1HG PRO 6 1HG PRO 6 -4.403 2.155 -5.461 46 2HG PRO 6 2HG PRO 6 -3.932 3.710 -6.170 47 1HD PRO 6 1HD PRO 6 -4.247 3.333 -3.496 48 2HD PRO 6 2HD PRO 6 -4.542 4.892 -4.295 49 H GLU 7 H GLU 7 -6.097 1.462 -3.483 50 HA GLU 7 HA GLU 7 -7.703 -0.739 -4.552 51 1HB GLU 7 1HB GLU 7 -5.056 -0.641 -3.967 52 2HB GLU 7 2HB GLU 7 -5.688 -1.287 -2.460 53 1HG GLU 7 1HG GLU 7 -6.572 -2.518 -5.019 54 2HG GLU 7 2HG GLU 7 -4.946 -2.858 -4.428 55 H CYS 8 H CYS 8 -6.863 0.785 -1.436 56 HA CYS 8 HA CYS 8 -9.244 -0.508 -0.264 57 1HB CYS 8 1HB CYS 8 -8.148 -0.551 1.854 58 2HB CYS 8 2HB CYS 8 -7.022 -1.203 0.677 59 HG CYS 8 HG CYS 8 -5.456 0.641 1.127 60 HA PRO 9 HA PRO 9 -10.705 3.508 0.872 61 1HB PRO 9 1HB PRO 9 -12.225 2.967 2.994 62 2HB PRO 9 2HB PRO 9 -12.567 2.243 1.419 63 1HG PRO 9 1HG PRO 9 -11.321 1.027 3.834 64 2HG PRO 9 2HG PRO 9 -12.371 0.287 2.615 65 1HD PRO 9 1HD PRO 9 -9.549 0.145 2.732 66 2HD PRO 9 2HD PRO 9 -10.580 -0.383 1.393 67 H LYS 10 H LYS 10 -7.988 3.277 1.856 68 HA LYS 10 HA LYS 10 -8.092 4.290 4.586 69 1HB LYS 10 1HB LYS 10 -5.698 3.774 2.815 70 2HB LYS 10 2HB LYS 10 -5.636 4.243 4.486 71 1HG LYS 10 1HG LYS 10 -7.207 1.825 3.904 72 2HG LYS 10 2HG LYS 10 -5.463 1.708 3.665 73 1HD LYS 10 1HD LYS 10 -6.096 3.058 6.142 74 2HD LYS 10 2HD LYS 10 -6.849 1.465 6.072 75 1HE LYS 10 1HE LYS 10 -4.391 0.860 5.156 76 2HE LYS 10 2HE LYS 10 -3.997 2.218 6.209 77 1HZ LYS 10 1HZ LYS 10 -3.884 0.097 7.377 78 2HZ LYS 10 2HZ LYS 10 -5.513 -0.203 7.029 79 3HZ LYS 10 3HZ LYS 10 -5.087 1.090 8.035 80 H ARG 11 H ARG 11 -7.110 6.286 5.182 81 HA ARG 11 HA ARG 11 -6.812 8.279 3.056 82 1HB ARG 11 1HB ARG 11 -8.373 8.844 5.567 83 2HB ARG 11 2HB ARG 11 -8.239 9.840 4.133 84 1HG ARG 11 1HG ARG 11 -10.267 8.987 3.680 85 2HG ARG 11 2HG ARG 11 -9.325 7.635 3.050 86 1HD ARG 11 1HD ARG 11 -9.539 6.476 5.184 87 2HD ARG 11 2HD ARG 11 -10.437 7.838 5.848 88 HE ARG 11 HE ARG 11 -11.418 5.812 4.029 89 1HH1 ARG 11 1HH1 ARG 11 -11.976 8.974 5.435 90 2HH1 ARG 11 2HH1 ARG 11 -13.678 8.944 5.124 91 1HH2 ARG 11 1HH2 ARG 11 -13.660 5.783 3.624 92 2HH2 ARG 11 2HH2 ARG 11 -14.634 7.134 4.097 93 H PHE 12 H PHE 12 -5.173 9.698 3.391 94 HA PHE 12 HA PHE 12 -4.026 9.924 6.081 95 1HB PHE 12 1HB PHE 12 -2.328 9.439 3.658 96 2HB PHE 12 2HB PHE 12 -1.782 9.535 5.318 97 HD1 PHE 12 HD1 PHE 12 -4.250 7.588 3.308 98 HD2 PHE 12 HD2 PHE 12 -1.253 7.532 6.326 99 HE1 PHE 12 HE1 PHE 12 -4.486 5.163 3.485 100 HE2 PHE 12 HE2 PHE 12 -1.491 5.087 6.511 101 HZ PHE 12 HZ PHE 12 -3.111 3.899 5.075 102 H MET 13 H MET 13 -2.989 11.843 6.538 103 HA MET 13 HA MET 13 -3.734 14.087 4.907 104 1HB MET 13 1HB MET 13 -2.276 13.781 7.517 105 2HB MET 13 2HB MET 13 -2.348 15.338 6.701 106 1HG MET 13 1HG MET 13 -4.472 15.685 7.292 107 2HG MET 13 2HG MET 13 -4.941 14.020 6.957 108 1HE MET 13 1HE MET 13 -6.313 14.950 10.222 109 2HE MET 13 2HE MET 13 -6.265 13.220 9.885 110 3HE MET 13 3HE MET 13 -6.545 14.365 8.574 111 H ARG 14 H ARG 14 -0.870 12.154 5.352 112 HA ARG 14 HA ARG 14 0.759 14.069 3.842 113 1HB ARG 14 1HB ARG 14 1.469 11.593 5.412 114 2HB ARG 14 2HB ARG 14 2.624 12.442 4.402 115 1HG ARG 14 1HG ARG 14 3.029 13.247 6.548 116 2HG ARG 14 2HG ARG 14 2.065 14.511 5.787 117 1HD ARG 14 1HD ARG 14 1.391 13.965 8.128 118 2HD ARG 14 2HD ARG 14 0.095 13.808 6.940 119 HE ARG 14 HE ARG 14 1.385 11.318 7.320 120 1HH1 ARG 14 1HH1 ARG 14 -0.819 13.513 8.929 121 2HH1 ARG 14 2HH1 ARG 14 -1.609 12.258 9.821 122 1HH2 ARG 14 1HH2 ARG 14 0.347 9.673 8.501 123 2HH2 ARG 14 2HH2 ARG 14 -0.947 10.076 9.579 124 H SER 15 H SER 15 2.078 13.276 2.065 125 HA SER 15 HA SER 15 0.583 11.396 0.411 126 1HB SER 15 1HB SER 15 1.181 12.671 -1.286 127 2HB SER 15 2HB SER 15 1.901 13.789 -0.132 128 HG SER 15 HG SER 15 3.852 13.070 -0.629 129 H ASP 16 H ASP 16 3.885 11.859 1.652 130 HA ASP 16 HA ASP 16 4.907 9.467 0.496 131 1HB ASP 16 1HB ASP 16 6.900 9.866 1.781 132 2HB ASP 16 2HB ASP 16 6.326 11.408 1.164 133 H HIS 17 H HIS 17 3.583 10.271 3.686 134 HA HIS 17 HA HIS 17 4.165 7.786 4.914 135 1HB HIS 17 1HB HIS 17 2.140 9.937 5.509 136 2HB HIS 17 2HB HIS 17 2.238 8.464 6.460 137 HD1 HIS 17 HD1 HIS 17 2.802 10.183 8.443 138 HD2 HIS 17 HD2 HIS 17 5.691 9.777 5.484 139 HE1 HIS 17 HE1 HIS 17 4.899 11.162 9.412 140 HE2 HIS 17 HE2 HIS 17 6.661 10.815 7.647 141 H LEU 18 H LEU 18 1.320 9.001 3.172 142 HA LEU 18 HA LEU 18 -0.369 6.810 3.554 143 1HB LEU 18 1HB LEU 18 -0.940 9.039 2.537 144 2HB LEU 18 2HB LEU 18 -0.191 8.491 1.060 145 HG LEU 18 HG LEU 18 -2.378 6.865 2.271 146 1HD1 LEU 18 1HD1 LEU 18 -3.908 8.228 0.730 147 2HD1 LEU 18 2HD1 LEU 18 -2.654 9.466 0.828 148 3HD1 LEU 18 3HD1 LEU 18 -3.469 8.919 2.292 149 1HD2 LEU 18 1HD2 LEU 18 -2.680 6.973 -0.449 150 2HD2 LEU 18 2HD2 LEU 18 -1.860 5.695 0.455 151 3HD2 LEU 18 3HD2 LEU 18 -0.929 7.023 -0.242 152 H THR 19 H THR 19 2.002 7.472 0.991 153 HA THR 19 HA THR 19 1.535 5.151 -0.491 154 HB THR 19 HB THR 19 4.132 6.691 -0.249 155 HG1 THR 19 HG1 THR 19 1.935 7.052 -2.009 156 1HG2 THR 19 1HG2 THR 19 4.469 5.967 -2.605 157 2HG2 THR 19 2HG2 THR 19 3.117 4.853 -2.399 158 3HG2 THR 19 3HG2 THR 19 4.570 4.667 -1.418 159 H LEU 20 H LEU 20 3.516 5.767 2.352 160 HA LEU 20 HA LEU 20 5.086 3.446 2.355 161 1HB LEU 20 1HB LEU 20 5.249 5.469 3.894 162 2HB LEU 20 2HB LEU 20 3.939 4.761 4.817 163 HG LEU 20 HG LEU 20 6.233 2.969 4.346 164 1HD1 LEU 20 1HD1 LEU 20 7.391 5.105 4.677 165 2HD1 LEU 20 2HD1 LEU 20 7.634 4.007 6.036 166 3HD1 LEU 20 3HD1 LEU 20 6.498 5.349 6.179 167 1HD2 LEU 20 1HD2 LEU 20 4.438 2.245 5.748 168 2HD2 LEU 20 2HD2 LEU 20 4.527 3.717 6.715 169 3HD2 LEU 20 3HD2 LEU 20 5.840 2.541 6.775 170 H HIS 21 H HIS 21 1.769 4.034 3.338 171 HA HIS 21 HA HIS 21 1.276 1.574 4.632 172 1HB HIS 21 1HB HIS 21 -0.666 2.603 5.060 173 2HB HIS 21 2HB HIS 21 -0.128 3.962 4.119 174 HD1 HIS 21 HD1 HIS 21 -2.044 4.656 2.683 175 HD2 HIS 21 HD2 HIS 21 -1.656 0.536 2.853 176 HE1 HIS 21 HE1 HIS 21 -3.888 3.699 1.249 177 H ILE 22 H ILE 22 0.661 2.703 1.353 178 HA ILE 22 HA ILE 22 -0.606 0.386 0.439 179 HB ILE 22 HB ILE 22 0.963 2.200 -1.378 180 1HG1 ILE 22 1HG1 ILE 22 -1.876 2.811 -0.814 181 2HG1 ILE 22 2HG1 ILE 22 -0.762 3.204 0.473 182 1HG2 ILE 22 1HG2 ILE 22 -0.509 -0.003 -1.946 183 2HG2 ILE 22 2HG2 ILE 22 -0.290 1.351 -3.053 184 3HG2 ILE 22 3HG2 ILE 22 -1.741 1.254 -2.050 185 1HD1 ILE 22 1HD1 ILE 22 -0.360 5.095 -0.564 186 2HD1 ILE 22 2HD1 ILE 22 -1.296 4.584 -1.967 187 3HD1 ILE 22 3HD1 ILE 22 0.416 4.175 -1.853 188 H LEU 23 H LEU 23 2.593 0.602 1.379 189 HA LEU 23 HA LEU 23 3.886 -0.961 -0.584 190 1HB LEU 23 1HB LEU 23 4.465 -0.020 2.130 191 2HB LEU 23 2HB LEU 23 5.181 -1.577 1.766 192 HG LEU 23 HG LEU 23 6.178 -0.508 -0.303 193 1HD1 LEU 23 1HD1 LEU 23 6.325 1.873 -0.425 194 2HD1 LEU 23 2HD1 LEU 23 5.474 2.057 1.109 195 3HD1 LEU 23 3HD1 LEU 23 4.620 1.438 -0.304 196 1HD2 LEU 23 1HD2 LEU 23 7.046 0.678 2.328 197 2HD2 LEU 23 2HD2 LEU 23 8.040 0.407 0.896 198 3HD2 LEU 23 3HD2 LEU 23 7.413 -0.967 1.807 199 H LEU 24 H LEU 24 1.949 -1.786 2.269 200 HA LEU 24 HA LEU 24 2.569 -4.554 2.277 201 1HB LEU 24 1HB LEU 24 0.151 -4.642 3.383 202 2HB LEU 24 2HB LEU 24 1.590 -4.162 4.251 203 HG LEU 24 HG LEU 24 0.953 -1.769 3.742 204 1HD1 LEU 24 1HD1 LEU 24 -0.586 -1.950 1.961 205 2HD1 LEU 24 2HD1 LEU 24 -1.550 -1.493 3.365 206 3HD1 LEU 24 3HD1 LEU 24 -1.542 -3.168 2.808 207 1HD2 LEU 24 1HD2 LEU 24 0.498 -3.251 5.842 208 2HD2 LEU 24 2HD2 LEU 24 -1.186 -3.059 5.349 209 3HD2 LEU 24 3HD2 LEU 24 -0.204 -1.638 5.706 210 H HIS 25 H HIS 25 0.352 -2.670 0.364 211 HA HIS 25 HA HIS 25 -1.417 -4.678 -0.462 212 1HB HIS 25 1HB HIS 25 -0.521 -2.081 -1.659 213 2HB HIS 25 2HB HIS 25 -1.530 -3.170 -2.603 214 HD1 HIS 25 HD1 HIS 25 -3.697 -4.047 -0.814 215 HD2 HIS 25 HD2 HIS 25 -2.078 -0.231 -0.545 216 HE1 HIS 25 HE1 HIS 25 -5.439 -2.615 0.330 217 H GLU 26 H GLU 26 1.824 -3.871 -1.569 218 HA GLU 26 HA GLU 26 1.924 -5.177 -4.001 219 1HB GLU 26 1HB GLU 26 3.751 -3.896 -2.465 220 2HB GLU 26 2HB GLU 26 4.288 -5.558 -2.262 221 1HG GLU 26 1HG GLU 26 3.890 -4.176 -4.906 222 2HG GLU 26 2HG GLU 26 5.438 -4.397 -4.092 223 H ASN 27 H ASN 27 2.496 -6.553 -0.765 224 HA ASN 27 HA ASN 27 2.470 -9.246 -1.926 225 1HB ASN 27 1HB ASN 27 4.301 -8.506 -0.318 226 2HB ASN 27 2HB ASN 27 3.073 -8.516 0.944 227 1HD2 ASN 27 1HD2 ASN 27 2.785 -10.346 2.015 228 2HD2 ASN 27 2HD2 ASN 27 3.315 -11.909 1.504 229 H LYS 28 H LYS 28 0.258 -9.440 -2.338 230 HA LYS 28 HA LYS 28 -1.340 -10.123 -0.008 231 1HB LYS 28 1HB LYS 28 -1.645 -7.617 -1.312 232 2HB LYS 28 2HB LYS 28 -3.043 -8.596 -1.731 233 1HG LYS 28 1HG LYS 28 -3.263 -9.058 0.763 234 2HG LYS 28 2HG LYS 28 -2.113 -7.737 0.987 235 1HD LYS 28 1HD LYS 28 -3.677 -6.326 -0.428 236 2HD LYS 28 2HD LYS 28 -4.855 -7.628 -0.251 237 1HE LYS 28 1HE LYS 28 -4.220 -7.322 2.313 238 2HE LYS 28 2HE LYS 28 -3.830 -5.695 1.757 239 1HZ LYS 28 1HZ LYS 28 -6.445 -7.070 1.437 240 2HZ LYS 28 2HZ LYS 28 -6.079 -5.526 0.849 241 3HZ LYS 28 3HZ LYS 28 -6.105 -5.811 2.516 242 H LYS 29 H LYS 29 -2.361 -11.977 -0.404 243 HA LYS 29 HA LYS 29 -2.749 -12.794 -3.200 244 1HB LYS 29 1HB LYS 29 -2.857 -15.091 -2.363 245 2HB LYS 29 2HB LYS 29 -1.365 -14.304 -1.869 246 1HG LYS 29 1HG LYS 29 -1.993 -14.207 0.351 247 2HG LYS 29 2HG LYS 29 -3.713 -14.330 -0.021 248 1HD LYS 29 1HD LYS 29 -1.791 -16.579 -0.560 249 2HD LYS 29 2HD LYS 29 -2.592 -16.381 1.001 250 1HE LYS 29 1HE LYS 29 -4.717 -16.181 -0.634 251 2HE LYS 29 2HE LYS 29 -3.688 -17.226 -1.611 252 1HZ LYS 29 1HZ LYS 29 -3.505 -18.725 0.306 253 2HZ LYS 29 2HZ LYS 29 -5.106 -18.544 -0.208 254 3HZ LYS 29 3HZ LYS 29 -4.568 -17.740 1.178 Start of MODEL 50 1 H TYR 1 H TYR 1 -7.569 13.523 7.219 2 HA TYR 1 HA TYR 1 -6.816 12.353 5.351 3 1HB TYR 1 1HB TYR 1 -9.801 12.871 5.310 4 2HB TYR 1 2HB TYR 1 -9.020 11.517 4.502 5 HD1 TYR 1 HD1 TYR 1 -11.123 11.824 6.931 6 HD2 TYR 1 HD2 TYR 1 -7.020 10.748 6.585 7 HE1 TYR 1 HE1 TYR 1 -11.302 10.500 8.994 8 HE2 TYR 1 HE2 TYR 1 -7.189 9.421 8.648 9 HH TYR 1 HH TYR 1 -9.185 9.702 10.860 10 H LYS 2 H LYS 2 -5.587 13.422 3.833 11 HA LYS 2 HA LYS 2 -6.932 15.064 1.827 12 1HB LYS 2 1HB LYS 2 -4.474 15.285 3.068 13 2HB LYS 2 2HB LYS 2 -4.058 14.645 1.484 14 1HG LYS 2 1HG LYS 2 -5.558 16.532 0.573 15 2HG LYS 2 2HG LYS 2 -5.385 17.234 2.182 16 1HD LYS 2 1HD LYS 2 -2.994 16.365 0.587 17 2HD LYS 2 2HD LYS 2 -3.722 17.956 0.359 18 1HE LYS 2 1HE LYS 2 -2.965 16.988 3.092 19 2HE LYS 2 2HE LYS 2 -1.759 17.700 2.022 20 1HZ LYS 2 1HZ LYS 2 -2.647 19.396 3.426 21 2HZ LYS 2 2HZ LYS 2 -4.238 18.993 3.017 22 3HZ LYS 2 3HZ LYS 2 -3.214 19.675 1.856 23 H PHE 3 H PHE 3 -4.588 12.362 1.851 24 HA PHE 3 HA PHE 3 -5.266 11.708 -0.888 25 1HB PHE 3 1HB PHE 3 -3.185 10.738 1.059 26 2HB PHE 3 2HB PHE 3 -3.475 9.932 -0.462 27 HD1 PHE 3 HD1 PHE 3 -2.634 10.792 -2.499 28 HD2 PHE 3 HD2 PHE 3 -2.425 13.114 1.062 29 HE1 PHE 3 HE1 PHE 3 -1.152 12.394 -3.635 30 HE2 PHE 3 HE2 PHE 3 -0.943 14.720 -0.068 31 HZ PHE 3 HZ PHE 3 -0.305 14.361 -2.419 32 H ALA 4 H ALA 4 -5.440 9.294 -1.390 33 HA ALA 4 HA ALA 4 -6.743 7.672 0.621 34 1HB ALA 4 1HB ALA 4 -8.804 7.347 -0.670 35 2HB ALA 4 2HB ALA 4 -8.266 8.567 -1.825 36 3HB ALA 4 3HB ALA 4 -8.611 9.024 -0.157 37 H CYS 5 H CYS 5 -6.861 5.462 0.056 38 HA CYS 5 HA CYS 5 -4.958 4.677 -1.974 39 1HB CYS 5 1HB CYS 5 -5.279 3.618 0.376 40 2HB CYS 5 2HB CYS 5 -6.611 2.749 -0.370 41 HG CYS 5 HG CYS 5 -4.743 1.153 -0.783 42 HA PRO 6 HA PRO 6 -8.022 3.839 -5.084 43 1HB PRO 6 1HB PRO 6 -6.471 2.504 -6.836 44 2HB PRO 6 2HB PRO 6 -6.300 4.243 -6.570 45 1HG PRO 6 1HG PRO 6 -4.663 1.989 -5.475 46 2HG PRO 6 2HG PRO 6 -4.125 3.551 -6.122 47 1HD PRO 6 1HD PRO 6 -4.354 3.020 -3.453 48 2HD PRO 6 2HD PRO 6 -4.526 4.645 -4.148 49 H GLU 7 H GLU 7 -6.281 1.384 -3.347 50 HA GLU 7 HA GLU 7 -7.996 -0.740 -4.401 51 1HB GLU 7 1HB GLU 7 -5.322 -0.625 -3.138 52 2HB GLU 7 2HB GLU 7 -6.309 -2.013 -2.717 53 1HG GLU 7 1HG GLU 7 -4.914 -2.585 -4.573 54 2HG GLU 7 2HG GLU 7 -6.587 -2.499 -5.124 55 H CYS 8 H CYS 8 -6.860 0.546 -1.261 56 HA CYS 8 HA CYS 8 -9.203 -0.695 0.015 57 1HB CYS 8 1HB CYS 8 -8.015 -0.670 2.069 58 2HB CYS 8 2HB CYS 8 -6.886 -1.246 0.857 59 HG CYS 8 HG CYS 8 -5.391 0.578 1.472 60 HA PRO 9 HA PRO 9 -10.808 3.270 1.095 61 1HB PRO 9 1HB PRO 9 -12.145 2.753 3.348 62 2HB PRO 9 2HB PRO 9 -12.562 1.956 1.827 63 1HG PRO 9 1HG PRO 9 -11.103 0.885 4.187 64 2HG PRO 9 2HG PRO 9 -12.192 0.053 3.065 65 1HD PRO 9 1HD PRO 9 -9.365 0.043 3.004 66 2HD PRO 9 2HD PRO 9 -10.451 -0.575 1.750 67 H LYS 10 H LYS 10 -7.981 3.007 2.074 68 HA LYS 10 HA LYS 10 -8.049 4.300 4.672 69 1HB LYS 10 1HB LYS 10 -5.665 3.645 2.926 70 2HB LYS 10 2HB LYS 10 -5.601 4.239 4.559 71 1HG LYS 10 1HG LYS 10 -7.166 1.779 4.165 72 2HG LYS 10 2HG LYS 10 -5.422 1.650 3.928 73 1HD LYS 10 1HD LYS 10 -5.679 1.187 6.190 74 2HD LYS 10 2HD LYS 10 -5.251 2.898 6.182 75 1HE LYS 10 1HE LYS 10 -7.519 3.546 6.519 76 2HE LYS 10 2HE LYS 10 -8.092 1.900 6.248 77 1HZ LYS 10 1HZ LYS 10 -8.052 2.483 8.603 78 2HZ LYS 10 2HZ LYS 10 -6.386 2.762 8.522 79 3HZ LYS 10 3HZ LYS 10 -6.994 1.205 8.270 80 H ARG 11 H ARG 11 -7.001 6.327 5.070 81 HA ARG 11 HA ARG 11 -6.597 8.119 2.812 82 1HB ARG 11 1HB ARG 11 -8.099 9.843 4.031 83 2HB ARG 11 2HB ARG 11 -8.865 8.608 3.045 84 1HG ARG 11 1HG ARG 11 -8.492 7.918 5.885 85 2HG ARG 11 2HG ARG 11 -9.625 9.226 5.550 86 1HD ARG 11 1HD ARG 11 -10.266 7.312 3.664 87 2HD ARG 11 2HD ARG 11 -9.893 6.365 5.105 88 HE ARG 11 HE ARG 11 -11.540 8.313 6.031 89 1HH1 ARG 11 1HH1 ARG 11 -11.804 5.968 3.443 90 2HH1 ARG 11 2HH1 ARG 11 -13.528 5.859 3.555 91 1HH2 ARG 11 1HH2 ARG 11 -13.808 8.165 6.173 92 2HH2 ARG 11 2HH2 ARG 11 -14.666 7.106 5.104 93 H PHE 12 H PHE 12 -4.971 9.522 3.198 94 HA PHE 12 HA PHE 12 -4.198 10.010 5.995 95 1HB PHE 12 1HB PHE 12 -2.220 9.461 3.817 96 2HB PHE 12 2HB PHE 12 -1.887 9.603 5.525 97 HD1 PHE 12 HD1 PHE 12 -4.192 7.587 3.394 98 HD2 PHE 12 HD2 PHE 12 -1.320 7.599 6.527 99 HE1 PHE 12 HE1 PHE 12 -4.424 5.166 3.594 100 HE2 PHE 12 HE2 PHE 12 -1.551 5.153 6.738 101 HZ PHE 12 HZ PHE 12 -3.112 3.934 5.255 102 H MET 13 H MET 13 -3.318 11.997 6.449 103 HA MET 13 HA MET 13 -3.983 14.136 4.706 104 1HB MET 13 1HB MET 13 -2.864 15.574 6.384 105 2HB MET 13 2HB MET 13 -4.031 14.472 7.100 106 1HG MET 13 1HG MET 13 -1.365 13.338 7.033 107 2HG MET 13 2HG MET 13 -1.417 14.871 7.902 108 1HE MET 13 1HE MET 13 -3.200 14.419 10.974 109 2HE MET 13 2HE MET 13 -4.418 14.666 9.724 110 3HE MET 13 3HE MET 13 -2.861 15.485 9.610 111 H ARG 14 H ARG 14 -1.066 12.293 5.238 112 HA ARG 14 HA ARG 14 0.489 14.140 3.574 113 1HB ARG 14 1HB ARG 14 1.238 11.884 5.416 114 2HB ARG 14 2HB ARG 14 2.385 12.518 4.247 115 1HG ARG 14 1HG ARG 14 2.969 13.953 5.845 116 2HG ARG 14 2HG ARG 14 1.465 14.795 5.467 117 1HD ARG 14 1HD ARG 14 0.888 14.463 7.595 118 2HD ARG 14 2HD ARG 14 0.675 12.762 7.170 119 HE ARG 14 HE ARG 14 2.614 12.261 8.294 120 1HH1 ARG 14 1HH1 ARG 14 2.381 15.735 7.936 121 2HH1 ARG 14 2HH1 ARG 14 3.687 16.058 9.024 122 1HH2 ARG 14 1HH2 ARG 14 4.337 12.691 9.723 123 2HH2 ARG 14 2HH2 ARG 14 4.799 14.331 10.038 124 H SER 15 H SER 15 1.898 13.203 1.907 125 HA SER 15 HA SER 15 0.432 11.235 0.336 126 1HB SER 15 1HB SER 15 1.217 12.252 -1.473 127 2HB SER 15 2HB SER 15 1.641 13.564 -0.379 128 HG SER 15 HG SER 15 3.716 12.995 -0.469 129 H ASP 16 H ASP 16 3.681 11.716 1.691 130 HA ASP 16 HA ASP 16 4.753 9.280 0.706 131 1HB ASP 16 1HB ASP 16 5.808 11.502 1.931 132 2HB ASP 16 2HB ASP 16 5.940 10.282 3.192 133 H HIS 17 H HIS 17 3.261 10.196 3.792 134 HA HIS 17 HA HIS 17 3.727 7.790 5.162 135 1HB HIS 17 1HB HIS 17 1.904 10.098 5.481 136 2HB HIS 17 2HB HIS 17 1.393 8.603 6.248 137 HD1 HIS 17 HD1 HIS 17 1.748 9.715 8.569 138 HD2 HIS 17 HD2 HIS 17 5.194 9.381 6.273 139 HE1 HIS 17 HE1 HIS 17 3.646 10.176 10.138 140 HE2 HIS 17 HE2 HIS 17 5.718 10.068 8.711 141 H LEU 18 H LEU 18 0.866 8.847 3.300 142 HA LEU 18 HA LEU 18 -0.639 6.509 3.593 143 1HB LEU 18 1HB LEU 18 -1.436 8.679 2.657 144 2HB LEU 18 2HB LEU 18 -0.576 8.322 1.185 145 HG LEU 18 HG LEU 18 -2.632 6.407 2.217 146 1HD1 LEU 18 1HD1 LEU 18 -4.380 7.670 1.669 147 2HD1 LEU 18 2HD1 LEU 18 -3.604 8.252 0.199 148 3HD1 LEU 18 3HD1 LEU 18 -3.264 9.035 1.744 149 1HD2 LEU 18 1HD2 LEU 18 -1.768 5.366 0.441 150 2HD2 LEU 18 2HD2 LEU 18 -1.121 6.857 -0.253 151 3HD2 LEU 18 3HD2 LEU 18 -2.824 6.451 -0.467 152 H THR 19 H THR 19 1.724 7.445 1.110 153 HA THR 19 HA THR 19 1.460 5.160 -0.473 154 HB THR 19 HB THR 19 3.839 6.990 -0.082 155 HG1 THR 19 HG1 THR 19 2.455 8.221 -1.101 156 1HG2 THR 19 1HG2 THR 19 3.373 4.862 -2.147 157 2HG2 THR 19 2HG2 THR 19 4.757 5.060 -1.072 158 3HG2 THR 19 3HG2 THR 19 4.487 6.210 -2.382 159 H LEU 20 H LEU 20 3.312 5.782 2.453 160 HA LEU 20 HA LEU 20 5.011 3.533 2.368 161 1HB LEU 20 1HB LEU 20 5.138 5.524 3.939 162 2HB LEU 20 2HB LEU 20 3.853 4.774 4.864 163 HG LEU 20 HG LEU 20 6.024 2.910 4.416 164 1HD1 LEU 20 1HD1 LEU 20 6.707 5.484 5.829 165 2HD1 LEU 20 2HD1 LEU 20 7.413 4.903 4.320 166 3HD1 LEU 20 3HD1 LEU 20 7.690 4.020 5.821 167 1HD2 LEU 20 1HD2 LEU 20 4.872 4.114 6.930 168 2HD2 LEU 20 2HD2 LEU 20 5.865 2.660 6.824 169 3HD2 LEU 20 3HD2 LEU 20 4.256 2.682 6.104 170 H HIS 21 H HIS 21 1.693 3.981 3.408 171 HA HIS 21 HA HIS 21 1.317 1.485 4.672 172 1HB HIS 21 1HB HIS 21 -0.676 2.399 5.138 173 2HB HIS 21 2HB HIS 21 -0.151 3.832 4.303 174 HD1 HIS 21 HD1 HIS 21 -2.026 4.608 2.863 175 HD2 HIS 21 HD2 HIS 21 -1.661 0.485 2.827 176 HE1 HIS 21 HE1 HIS 21 -3.845 3.739 1.343 177 H ILE 22 H ILE 22 0.580 2.633 1.417 178 HA ILE 22 HA ILE 22 -0.664 0.319 0.499 179 HB ILE 22 HB ILE 22 0.932 2.068 -1.353 180 1HG1 ILE 22 1HG1 ILE 22 -1.890 2.764 -0.791 181 2HG1 ILE 22 2HG1 ILE 22 -0.747 3.192 0.462 182 1HG2 ILE 22 1HG2 ILE 22 -1.808 1.139 -1.945 183 2HG2 ILE 22 2HG2 ILE 22 -0.556 -0.105 -1.883 184 3HG2 ILE 22 3HG2 ILE 22 -0.395 1.252 -2.998 185 1HD1 ILE 22 1HD1 ILE 22 -1.263 4.431 -2.076 186 2HD1 ILE 22 2HD1 ILE 22 0.445 4.037 -1.884 187 3HD1 ILE 22 3HD1 ILE 22 -0.373 5.035 -0.682 188 H LEU 23 H LEU 23 2.584 0.614 1.361 189 HA LEU 23 HA LEU 23 3.895 -0.960 -0.534 190 1HB LEU 23 1HB LEU 23 4.379 -0.123 2.234 191 2HB LEU 23 2HB LEU 23 5.107 -1.663 1.829 192 HG LEU 23 HG LEU 23 5.539 0.619 -0.037 193 1HD1 LEU 23 1HD1 LEU 23 7.510 1.310 1.303 194 2HD1 LEU 23 2HD1 LEU 23 6.916 0.303 2.624 195 3HD1 LEU 23 3HD1 LEU 23 5.966 1.682 2.070 196 1HD2 LEU 23 1HD2 LEU 23 7.291 -1.638 0.929 197 2HD2 LEU 23 2HD2 LEU 23 7.687 -0.484 -0.343 198 3HD2 LEU 23 3HD2 LEU 23 6.363 -1.625 -0.570 199 H LEU 24 H LEU 24 1.881 -1.880 2.246 200 HA LEU 24 HA LEU 24 2.487 -4.642 2.187 201 1HB LEU 24 1HB LEU 24 -0.042 -4.736 3.095 202 2HB LEU 24 2HB LEU 24 1.353 -4.390 4.089 203 HG LEU 24 HG LEU 24 0.850 -1.930 3.687 204 1HD1 LEU 24 1HD1 LEU 24 -0.622 -1.835 1.893 205 2HD1 LEU 24 2HD1 LEU 24 -1.694 -1.634 3.277 206 3HD1 LEU 24 3HD1 LEU 24 -1.575 -3.201 2.476 207 1HD2 LEU 24 1HD2 LEU 24 0.280 -3.473 5.690 208 2HD2 LEU 24 2HD2 LEU 24 -1.381 -3.271 5.131 209 3HD2 LEU 24 3HD2 LEU 24 -0.427 -1.860 5.592 210 H HIS 25 H HIS 25 0.173 -2.723 0.352 211 HA HIS 25 HA HIS 25 -1.336 -4.827 -0.743 212 1HB HIS 25 1HB HIS 25 -0.720 -2.059 -1.783 213 2HB HIS 25 2HB HIS 25 -1.810 -3.166 -2.606 214 HD1 HIS 25 HD1 HIS 25 -3.549 -4.216 -0.375 215 HD2 HIS 25 HD2 HIS 25 -2.293 -0.262 -0.588 216 HE1 HIS 25 HE1 HIS 25 -5.202 -2.869 0.987 217 H GLU 26 H GLU 26 1.612 -3.215 -1.901 218 HA GLU 26 HA GLU 26 1.847 -4.543 -4.356 219 1HB GLU 26 1HB GLU 26 3.761 -3.150 -2.532 220 2HB GLU 26 2HB GLU 26 4.407 -4.097 -3.866 221 1HG GLU 26 1HG GLU 26 2.295 -2.444 -4.839 222 2HG GLU 26 2HG GLU 26 3.420 -1.459 -3.906 223 H ASN 27 H ASN 27 3.143 -5.376 -1.152 224 HA ASN 27 HA ASN 27 4.337 -7.820 -2.095 225 1HB ASN 27 1HB ASN 27 5.230 -6.451 -0.175 226 2HB ASN 27 2HB ASN 27 3.843 -6.984 0.769 227 1HD2 ASN 27 1HD2 ASN 27 4.094 -8.751 1.942 228 2HD2 ASN 27 2HD2 ASN 27 5.316 -9.952 1.712 229 H LYS 28 H LYS 28 2.671 -9.032 -2.983 230 HA LYS 28 HA LYS 28 1.056 -10.485 -1.063 231 1HB LYS 28 1HB LYS 28 -0.077 -8.314 -2.428 232 2HB LYS 28 2HB LYS 28 -0.657 -9.741 -3.275 233 1HG LYS 28 1HG LYS 28 -1.876 -10.475 -1.500 234 2HG LYS 28 2HG LYS 28 -0.795 -9.742 -0.312 235 1HD LYS 28 1HD LYS 28 -1.706 -7.508 -1.410 236 2HD LYS 28 2HD LYS 28 -3.074 -8.550 -1.806 237 1HE LYS 28 1HE LYS 28 -3.532 -8.995 0.449 238 2HE LYS 28 2HE LYS 28 -1.951 -8.416 0.973 239 1HZ LYS 28 1HZ LYS 28 -2.608 -6.173 0.397 240 2HZ LYS 28 2HZ LYS 28 -3.715 -6.837 1.489 241 3HZ LYS 28 3HZ LYS 28 -4.115 -6.717 -0.149 242 H LYS 29 H LYS 29 -0.090 -12.336 -2.088 243 HA LYS 29 HA LYS 29 1.670 -13.724 -3.839 244 1HB LYS 29 1HB LYS 29 -0.052 -15.519 -3.794 245 2HB LYS 29 2HB LYS 29 0.439 -14.978 -2.196 246 1HG LYS 29 1HG LYS 29 -1.588 -13.885 -1.811 247 2HG LYS 29 2HG LYS 29 -2.013 -13.876 -3.523 248 1HD LYS 29 1HD LYS 29 -1.639 -16.490 -2.136 249 2HD LYS 29 2HD LYS 29 -3.129 -15.584 -1.869 250 1HE LYS 29 1HE LYS 29 -3.936 -16.209 -3.845 251 2HE LYS 29 2HE LYS 29 -2.483 -15.646 -4.672 252 1HZ LYS 29 1HZ LYS 29 -2.803 -18.294 -3.361 253 2HZ LYS 29 2HZ LYS 29 -1.423 -17.757 -4.179 254 3HZ LYS 29 3HZ LYS 29 -2.864 -18.009 -5.028
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