NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12304 | 1ss3 | 6139 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 H1 ASP 1 1.059 -0.934 0.165 2 2H ASP 1 H2 ASP 1 0.483 0.589 -0.092 3 3H ASP 1 H3 ASP 1 1.891 0.351 0.788 4 HA ASP 1 HA ASP 1 1.624 0.660 -1.971 5 1HB ASP 1 2HB ASP 1 3.584 1.081 0.011 6 2HB ASP 1 3HB ASP 1 4.259 -0.235 -0.940 7 H GLU 2 H GLU 2 3.649 -0.877 -2.988 8 HA GLU 2 HA GLU 2 3.835 -3.556 -2.576 9 1HB GLU 2 2HB GLU 2 1.137 -2.992 -3.541 10 2HB GLU 2 3HB GLU 2 1.996 -3.957 -4.719 11 1HG GLU 2 2HG GLU 2 2.578 -5.625 -3.035 12 2HG GLU 2 3HG GLU 2 1.894 -4.652 -1.740 13 H ALA 3 H ALA 3 3.405 -0.968 -4.907 14 HA ALA 3 HA ALA 3 4.641 -2.184 -7.146 15 1HB ALA 3 1HB ALA 3 5.128 0.714 -6.824 16 2HB ALA 3 2HB ALA 3 4.344 -0.175 -8.130 17 3HB ALA 3 3HB ALA 3 3.424 0.257 -6.657 18 H GLN 4 H GLN 4 6.085 -0.030 -4.618 19 HA GLN 4 HA GLN 4 8.719 -0.022 -5.399 20 1HB GLN 4 2HB GLN 4 7.330 -0.140 -2.719 21 2HB GLN 4 3HB GLN 4 9.091 -0.275 -2.747 22 1HG GLN 4 2HG GLN 4 9.388 1.806 -3.799 23 2HG GLN 4 3HG GLN 4 7.676 1.993 -4.180 24 1HE2 GLN 4 1HE2 GLN 4 9.485 3.813 -2.673 25 2HE2 GLN 4 2HE2 GLN 4 8.656 3.943 -1.108 26 H PHE 5 H PHE 5 7.016 -2.795 -4.175 27 HA PHE 5 HA PHE 5 9.431 -4.507 -3.915 28 1HB PHE 5 2HB PHE 5 7.372 -4.491 -2.306 29 2HB PHE 5 3HB PHE 5 6.452 -5.152 -3.648 30 HD1 PHE 5 HD1 PHE 5 8.821 -5.856 -1.055 31 HD2 PHE 5 HD2 PHE 5 7.077 -7.393 -4.699 32 HE1 PHE 5 HE1 PHE 5 9.510 -8.150 -0.453 33 HE2 PHE 5 HE2 PHE 5 7.811 -9.670 -4.080 34 HZ PHE 5 HZ PHE 5 9.108 -10.036 -1.997 35 H LYS 6 H LYS 6 6.387 -4.169 -5.869 36 HA LYS 6 HA LYS 6 6.796 -6.426 -7.582 37 1HB LYS 6 2HB LYS 6 4.664 -5.107 -7.392 38 2HB LYS 6 3HB LYS 6 5.445 -3.800 -8.307 39 1HG LYS 6 2HG LYS 6 5.641 -5.091 -10.269 40 2HG LYS 6 3HG LYS 6 5.315 -6.617 -9.427 41 1HD LYS 6 2HD LYS 6 3.036 -6.257 -9.305 42 2HD LYS 6 3HD LYS 6 3.196 -4.486 -9.343 43 1HE LYS 6 2HE LYS 6 3.948 -4.615 -11.714 44 2HE LYS 6 3HE LYS 6 3.657 -6.359 -11.715 45 1HZ LYS 6 1HZ LYS 6 1.375 -6.022 -11.517 46 2HZ LYS 6 2HZ LYS 6 1.514 -4.507 -10.900 47 3HZ LYS 6 3HZ LYS 6 1.797 -4.763 -12.503 48 H GLU 7 H GLU 7 8.269 -3.275 -7.558 49 HA GLU 7 HA GLU 7 9.500 -3.653 -10.144 50 1HB GLU 7 2HB GLU 7 9.252 -1.461 -8.260 51 2HB GLU 7 3HB GLU 7 10.958 -1.746 -8.529 52 1HG GLU 7 2HG GLU 7 10.561 -0.334 -10.288 53 2HG GLU 7 3HG GLU 7 10.249 -1.859 -11.099 54 H CYS 8 H CYS 8 10.383 -4.305 -6.794 55 HA CYS 8 HA CYS 8 13.178 -4.902 -7.400 56 1HB CYS 8 2HB CYS 8 11.834 -4.327 -5.090 57 2HB CYS 8 3HB CYS 8 11.779 -6.076 -5.046 58 H TYR 9 H TYR 9 10.169 -6.764 -6.901 59 HA TYR 9 HA TYR 9 11.295 -9.339 -7.294 60 1HB TYR 9 2HB TYR 9 8.947 -8.551 -6.471 61 2HB TYR 9 3HB TYR 9 8.513 -8.403 -8.162 62 HD1 TYR 9 HD1 TYR 9 8.496 -10.475 -9.641 63 HD2 TYR 9 HD2 TYR 9 9.116 -10.662 -5.369 64 HE1 TYR 9 HE1 TYR 9 7.841 -12.868 -9.635 65 HE2 TYR 9 HE2 TYR 9 8.368 -13.007 -5.398 66 HH TYR 9 HH TYR 9 7.406 -14.664 -6.555 67 H ASP 10 H ASP 10 9.649 -7.206 -9.667 68 HA ASP 10 HA ASP 10 10.027 -8.897 -11.922 69 1HB ASP 10 2HB ASP 10 8.573 -6.704 -11.566 70 2HB ASP 10 3HB ASP 10 9.999 -5.858 -12.141 71 H THR 11 H THR 11 11.822 -6.045 -10.829 72 HA THR 11 HA THR 11 13.884 -6.139 -12.794 73 HB THR 11 HB THR 11 14.004 -4.918 -10.011 74 HG1 THR 11 1HG THR 11 12.378 -4.037 -11.080 75 1HG2 THR 11 1HG2 THR 11 15.471 -4.071 -12.514 76 2HG2 THR 11 2HG2 THR 11 15.599 -3.399 -10.867 77 3HG2 THR 11 3HG2 THR 11 16.224 -5.029 -11.198 78 H CYS 12 H CYS 12 13.752 -7.449 -9.436 79 HA CYS 12 HA CYS 12 16.370 -8.526 -9.336 80 1HB CYS 12 2HB CYS 12 14.948 -8.382 -7.355 81 2HB CYS 12 3HB CYS 12 13.839 -9.589 -8.035 82 H HIS 13 H HIS 13 13.262 -9.905 -10.574 83 HA HIS 13 HA HIS 13 14.238 -12.410 -11.374 84 1HB HIS 13 2HB HIS 13 11.813 -11.315 -11.477 85 2HB HIS 13 3HB HIS 13 12.301 -10.991 -13.128 86 HD1 HIS 13 HD1 HIS 13 12.775 -13.143 -14.659 87 HD2 HIS 13 HD2 HIS 13 11.255 -13.832 -10.780 88 HE1 HIS 13 HE1 HIS 13 11.990 -15.581 -14.617 89 HE2 HIS 13 HE2 HIS 13 11.014 -15.996 -12.231 90 H LYS 14 H LYS 14 14.392 -9.324 -13.075 91 HA LYS 14 HA LYS 14 15.546 -10.271 -15.516 92 1HB LYS 14 2HB LYS 14 14.640 -7.955 -15.115 93 2HB LYS 14 3HB LYS 14 16.068 -7.604 -14.163 94 1HG LYS 14 2HG LYS 14 16.758 -8.736 -16.795 95 2HG LYS 14 3HG LYS 14 15.822 -7.240 -16.877 96 1HD LYS 14 2HD LYS 14 17.618 -6.439 -15.008 97 2HD LYS 14 3HD LYS 14 18.567 -7.751 -15.704 98 1HE LYS 14 2HE LYS 14 17.413 -6.252 -17.880 99 2HE LYS 14 3HE LYS 14 17.933 -5.072 -16.676 100 1HZ LYS 14 1HZ LYS 14 19.875 -5.395 -17.829 101 2HZ LYS 14 2HZ LYS 14 20.076 -6.569 -16.693 102 3HZ LYS 14 3HZ LYS 14 19.562 -6.981 -18.191 103 H GLU 15 H GLU 15 17.304 -8.912 -12.677 104 HA GLU 15 HA GLU 15 19.906 -9.880 -13.620 105 1HB GLU 15 2HB GLU 15 19.710 -7.904 -12.196 106 2HB GLU 15 3HB GLU 15 18.970 -8.864 -10.908 107 1HG GLU 15 2HG GLU 15 21.027 -10.159 -10.626 108 2HG GLU 15 3HG GLU 15 21.742 -9.403 -12.061 109 H CYS 16 H CYS 16 17.233 -11.413 -12.154 110 HA CYS 16 HA CYS 16 18.708 -13.407 -10.766 111 1HB CYS 16 2HB CYS 16 16.395 -12.738 -10.187 112 2HB CYS 16 3HB CYS 16 15.838 -13.567 -11.642 113 H SER 17 H SER 17 16.546 -13.638 -13.614 114 HA SER 17 HA SER 17 17.293 -16.174 -14.569 115 1HB SER 17 2HB SER 17 15.688 -14.052 -15.494 116 2HB SER 17 3HB SER 17 16.913 -14.285 -16.739 117 HG SER 17 HG SER 17 15.323 -15.690 -17.229 118 H ASP 18 H ASP 18 19.076 -13.140 -14.722 119 HA ASP 18 HA ASP 18 21.007 -13.652 -16.742 120 1HB ASP 18 2HB ASP 18 21.028 -11.486 -15.773 121 2HB ASP 18 3HB ASP 18 21.007 -12.143 -14.162 122 H LYS 19 H LYS 19 20.802 -14.873 -13.370 123 HA LYS 19 HA LYS 19 23.330 -16.068 -13.342 124 1HB LYS 19 2HB LYS 19 20.913 -16.028 -11.640 125 2HB LYS 19 3HB LYS 19 21.520 -17.607 -11.738 126 1HG LYS 19 2HG LYS 19 23.663 -15.575 -11.355 127 2HG LYS 19 3HG LYS 19 22.391 -15.377 -10.179 128 1HD LYS 19 2HD LYS 19 23.197 -18.220 -10.557 129 2HD LYS 19 3HD LYS 19 24.532 -17.179 -10.057 130 1HE LYS 19 2HE LYS 19 23.266 -16.367 -8.135 131 2HE LYS 19 3HE LYS 19 21.817 -17.225 -8.696 132 1HZ LYS 19 1HZ LYS 19 23.552 -19.224 -8.599 133 2HZ LYS 19 2HZ LYS 19 24.201 -18.312 -7.396 134 3HZ LYS 19 3HZ LYS 19 22.636 -18.836 -7.300 135 H GLY 20 H GLY 20 20.748 -16.799 -15.261 136 1HA GLY 20 2HA GLY 20 20.543 -18.332 -16.941 137 2HA GLY 20 3HA GLY 20 21.953 -19.206 -16.326 138 H ASN 21 H ASN 21 19.604 -18.505 -13.957 139 HA ASN 21 HA ASN 21 18.926 -21.320 -13.577 140 1HB ASN 21 2HB ASN 21 17.592 -20.312 -11.652 141 2HB ASN 21 3HB ASN 21 19.325 -20.142 -11.530 142 1HD2 ASN 21 1HD2 ASN 21 18.486 -18.450 -9.927 143 2HD2 ASN 21 2HD2 ASN 21 18.206 -16.862 -10.719 144 H GLY 22 H GLY 22 16.506 -21.498 -12.863 145 1HA GLY 22 2HA GLY 22 14.928 -21.011 -15.318 146 2HA GLY 22 3HA GLY 22 14.442 -22.015 -13.934 147 H PHE 23 H PHE 23 12.883 -20.072 -15.291 148 HA PHE 23 HA PHE 23 12.646 -17.594 -13.983 149 1HB PHE 23 2HB PHE 23 11.476 -18.437 -16.094 150 2HB PHE 23 3HB PHE 23 10.359 -19.314 -15.062 151 HD1 PHE 23 HD1 PHE 23 10.702 -16.436 -16.941 152 HD2 PHE 23 HD2 PHE 23 9.224 -17.657 -13.043 153 HE1 PHE 23 HE1 PHE 23 9.302 -14.390 -16.775 154 HE2 PHE 23 HE2 PHE 23 7.886 -15.629 -12.920 155 HZ PHE 23 HZ PHE 23 7.922 -13.986 -14.745 156 H THR 24 H THR 24 10.714 -20.517 -13.377 157 HA THR 24 HA THR 24 9.234 -19.698 -11.159 158 HB THR 24 HB THR 24 10.151 -22.308 -12.262 159 HG1 THR 24 1HG THR 24 8.132 -21.415 -12.769 160 1HG2 THR 24 1HG2 THR 24 9.073 -23.570 -10.354 161 2HG2 THR 24 2HG2 THR 24 10.648 -22.915 -9.965 162 3HG2 THR 24 3HG2 THR 24 9.183 -22.081 -9.389 163 H PHE 25 H PHE 25 12.280 -21.591 -10.877 164 HA PHE 25 HA PHE 25 12.664 -21.249 -8.136 165 1HB PHE 25 2HB PHE 25 14.027 -22.758 -9.451 166 2HB PHE 25 3HB PHE 25 14.570 -21.444 -10.500 167 HD1 PHE 25 HD1 PHE 25 16.401 -20.019 -9.930 168 HD2 PHE 25 HD2 PHE 25 14.857 -22.807 -7.039 169 HE1 PHE 25 HE1 PHE 25 18.431 -19.688 -8.525 170 HE2 PHE 25 HE2 PHE 25 16.844 -22.439 -5.616 171 HZ PHE 25 HZ PHE 25 18.639 -20.894 -6.355 172 H CYS 26 H CYS 26 13.455 -18.974 -10.808 173 HA CYS 26 HA CYS 26 14.894 -17.166 -9.216 174 1HB CYS 26 2HB CYS 26 13.771 -17.247 -11.947 175 2HB CYS 26 3HB CYS 26 13.612 -15.684 -11.194 176 H GLU 27 H GLU 27 11.429 -17.664 -9.800 177 HA GLU 27 HA GLU 27 10.529 -15.184 -8.669 178 1HB GLU 27 2HB GLU 27 9.344 -17.613 -9.870 179 2HB GLU 27 3HB GLU 27 8.574 -17.222 -8.346 180 1HG GLU 27 2HG GLU 27 8.764 -14.755 -9.599 181 2HG GLU 27 3HG GLU 27 8.666 -15.802 -10.942 182 H MET 28 H MET 28 10.258 -18.514 -7.394 183 HA MET 28 HA MET 28 9.589 -17.831 -4.784 184 1HB MET 28 2HB MET 28 10.530 -20.203 -6.176 185 2HB MET 28 3HB MET 28 11.504 -20.038 -4.728 186 1HG MET 28 2HG MET 28 8.922 -19.531 -3.792 187 2HG MET 28 3HG MET 28 8.675 -20.753 -5.030 188 1HE MET 28 1HE MET 28 10.756 -20.124 -1.463 189 2HE MET 28 2HE MET 28 9.004 -19.944 -1.712 190 3HE MET 28 3HE MET 28 9.623 -21.349 -0.823 191 H LYS 29 H LYS 29 12.631 -17.462 -6.293 192 HA LYS 29 HA LYS 29 14.082 -17.004 -3.779 193 1HB LYS 29 2HB LYS 29 15.040 -18.179 -5.903 194 2HB LYS 29 3HB LYS 29 15.209 -16.563 -6.553 195 1HG LYS 29 2HG LYS 29 16.193 -16.899 -3.729 196 2HG LYS 29 3HG LYS 29 16.954 -17.979 -4.889 197 1HD LYS 29 2HD LYS 29 17.175 -15.718 -6.319 198 2HD LYS 29 3HD LYS 29 17.021 -14.957 -4.727 199 1HE LYS 29 2HE LYS 29 19.065 -15.668 -4.041 200 2HE LYS 29 3HE LYS 29 18.881 -17.268 -4.781 201 1HZ LYS 29 1HZ LYS 29 20.461 -15.332 -5.777 202 2HZ LYS 29 2HZ LYS 29 19.780 -16.546 -6.710 203 3HZ LYS 29 3HZ LYS 29 19.101 -15.047 -6.633 204 H CYS 30 H CYS 30 13.578 -15.066 -6.764 205 HA CYS 30 HA CYS 30 14.313 -12.550 -5.882 206 1HB CYS 30 2HB CYS 30 12.173 -13.502 -7.774 207 2HB CYS 30 3HB CYS 30 12.430 -11.804 -7.473 208 H ASP 31 H ASP 31 11.395 -14.411 -5.157 209 HA ASP 31 HA ASP 31 9.810 -12.400 -3.988 210 1HB ASP 31 2HB ASP 31 9.379 -15.024 -4.556 211 2HB ASP 31 3HB ASP 31 9.861 -15.257 -2.915 212 H THR 32 H THR 32 11.846 -14.820 -2.419 213 HA THR 32 HA THR 32 11.793 -13.379 0.135 214 HB THR 32 HB THR 32 12.934 -15.950 -0.904 215 HG1 THR 32 1HG THR 32 11.881 -16.658 0.905 216 1HG2 THR 32 1HG2 THR 32 13.846 -14.779 1.749 217 2HG2 THR 32 2HG2 THR 32 14.229 -16.404 1.096 218 3HG2 THR 32 3HG2 THR 32 14.890 -14.973 0.330 219 H ASP 33 H ASP 33 13.709 -13.160 -2.728 220 HA ASP 33 HA ASP 33 16.199 -12.342 -1.737 221 1HB ASP 33 2HB ASP 33 15.849 -12.818 -4.117 222 2HB ASP 33 3HB ASP 33 14.706 -11.476 -4.212 223 H CYS 34 H CYS 34 13.766 -10.166 -3.134 224 HA CYS 34 HA CYS 34 14.794 -7.922 -1.622 225 1HB CYS 34 2HB CYS 34 12.390 -8.184 -3.460 226 2HB CYS 34 3HB CYS 34 12.901 -6.694 -2.685 227 H SER 35 H SER 35 14.270 -9.409 0.239 228 HA SER 35 HA SER 35 12.314 -8.188 1.854 229 1HB SER 35 2HB SER 35 11.246 -10.282 0.272 230 2HB SER 35 3HB SER 35 11.293 -10.912 1.920 231 HG SER 35 HG SER 35 10.145 -9.134 2.626 232 H VAL 36 H VAL 36 12.614 -8.893 4.105 233 HA VAL 36 HA VAL 36 14.962 -10.440 4.662 234 HB VAL 36 HB VAL 36 13.102 -9.524 6.799 235 1HG1 VAL 36 1HG1 VAL 36 15.687 -8.757 7.480 236 2HG1 VAL 36 2HG1 VAL 36 14.913 -10.267 7.961 237 3HG1 VAL 36 3HG1 VAL 36 15.985 -10.219 6.545 238 1HG2 VAL 36 1HG2 VAL 36 14.642 -7.706 4.946 239 2HG2 VAL 36 2HG2 VAL 36 12.981 -7.563 5.572 240 3HG2 VAL 36 3HG2 VAL 36 14.353 -7.227 6.630 241 H LYS 37 H LYS 37 14.453 -11.847 6.882 242 HA LYS 37 HA LYS 37 12.188 -13.410 7.002 243 1HB LYS 37 2HB LYS 37 13.585 -14.134 4.639 244 2HB LYS 37 3HB LYS 37 14.173 -15.298 5.771 245 1HG LYS 37 2HG LYS 37 11.443 -15.352 6.352 246 2HG LYS 37 3HG LYS 37 11.430 -14.817 4.665 247 1HD LYS 37 2HD LYS 37 13.132 -16.811 4.315 248 2HD LYS 37 3HD LYS 37 12.534 -17.371 5.888 249 1HE LYS 37 2HE LYS 37 10.425 -16.524 3.959 250 2HE LYS 37 3HE LYS 37 11.403 -17.862 3.367 251 1HZ LYS 37 1HZ LYS 37 10.536 -18.135 6.119 252 2HZ LYS 37 2HZ LYS 37 9.316 -18.177 5.012 253 3HZ LYS 37 3HZ LYS 37 10.559 -19.256 4.922 254 H ASP 38 H ASP 38 13.650 -15.953 7.551 255 HA ASP 38 HA ASP 38 15.316 -15.202 9.852 256 1HB ASP 38 2HB ASP 38 12.633 -15.864 10.222 257 2HB ASP 38 3HB ASP 38 13.388 -17.444 10.287 258 H VAL 39 H VAL 39 17.119 -16.326 9.684 259 HA VAL 39 HA VAL 39 17.141 -19.164 8.920 260 HB VAL 39 HB VAL 39 18.384 -16.989 7.218 261 1HG1 VAL 39 1HG1 VAL 39 19.616 -19.609 7.879 262 2HG1 VAL 39 2HG1 VAL 39 19.458 -19.304 6.146 263 3HG1 VAL 39 3HG1 VAL 39 20.307 -18.144 7.177 264 1HG2 VAL 39 1HG2 VAL 39 16.778 -19.496 6.616 265 2HG2 VAL 39 2HG2 VAL 39 16.270 -17.807 6.402 266 3HG2 VAL 39 3HG2 VAL 39 17.523 -18.462 5.370 267 H LYS 40 H LYS 40 17.604 -19.323 11.105 268 HA LYS 40 HA LYS 40 19.652 -18.077 12.528 269 1HB LYS 40 2HB LYS 40 18.742 -20.995 12.635 270 2HB LYS 40 3HB LYS 40 19.870 -20.274 13.783 271 1HG LYS 40 2HG LYS 40 17.892 -18.394 13.892 272 2HG LYS 40 3HG LYS 40 16.918 -19.806 13.457 273 1HD LYS 40 2HD LYS 40 17.818 -21.026 15.411 274 2HD LYS 40 3HD LYS 40 18.882 -19.658 15.794 275 1HE LYS 40 2HE LYS 40 17.269 -18.679 16.996 276 2HE LYS 40 3HE LYS 40 16.299 -18.528 15.531 277 1HZ LYS 40 1HZ LYS 40 15.873 -21.079 16.159 278 2HZ LYS 40 2HZ LYS 40 16.049 -20.454 17.678 279 3HZ LYS 40 3HZ LYS 40 14.900 -19.856 16.650 280 H GLU 41 H GLU 41 21.824 -18.462 12.931 281 HA GLU 41 HA GLU 41 23.363 -18.820 10.659 282 1HB GLU 41 2HB GLU 41 23.890 -17.874 13.085 283 2HB GLU 41 3HB GLU 41 24.543 -19.484 13.361 284 1HG GLU 41 2HG GLU 41 26.274 -19.227 11.820 285 2HG GLU 41 3HG GLU 41 25.387 -18.078 10.826 286 H LYS 42 H LYS 42 25.250 -20.469 10.535 287 HA LYS 42 HA LYS 42 24.082 -23.210 10.830 288 1HB LYS 42 2HB LYS 42 24.241 -22.558 8.485 289 2HB LYS 42 3HB LYS 42 25.928 -22.086 8.705 290 1HG LYS 42 2HG LYS 42 26.152 -24.236 7.793 291 2HG LYS 42 3HG LYS 42 26.274 -24.567 9.520 292 1HD LYS 42 2HD LYS 42 23.727 -24.940 9.477 293 2HD LYS 42 3HD LYS 42 23.880 -25.000 7.710 294 1HE LYS 42 2HE LYS 42 24.986 -27.020 7.740 295 2HE LYS 42 3HE LYS 42 25.900 -26.607 9.194 296 1HZ LYS 42 1HZ LYS 42 23.480 -28.089 9.019 297 2HZ LYS 42 2HZ LYS 42 24.513 -27.895 10.301 298 3HZ LYS 42 3HZ LYS 42 23.313 -26.807 10.041 299 H LEU 43 H LEU 43 24.807 -23.187 12.963 300 HA LEU 43 HA LEU 43 27.378 -22.818 13.888 301 1HB LEU 43 2HB LEU 43 26.833 -24.124 15.738 302 2HB LEU 43 3HB LEU 43 25.269 -23.606 15.150 303 HG LEU 43 HG LEU 43 25.582 -26.031 13.796 304 1HD1 LEU 43 1HD1 LEU 43 27.728 -26.408 15.165 305 2HD1 LEU 43 2HD1 LEU 43 26.692 -26.503 16.588 306 3HD1 LEU 43 3HD1 LEU 43 26.514 -27.677 15.258 307 1HD2 LEU 43 1HD2 LEU 43 24.115 -26.982 15.580 308 2HD2 LEU 43 2HD2 LEU 43 24.305 -25.446 16.458 309 3HD2 LEU 43 3HD2 LEU 43 23.567 -25.465 14.837 310 H GLU 44 H GLU 44 29.187 -24.301 14.320 311 HA GLU 44 HA GLU 44 29.440 -26.682 12.755 312 1HB GLU 44 2HB GLU 44 30.157 -24.125 11.534 313 2HB GLU 44 3HB GLU 44 31.629 -25.031 11.812 314 1HG GLU 44 2HG GLU 44 31.119 -26.661 10.303 315 2HG GLU 44 3HG GLU 44 29.407 -26.677 10.683 316 H ASN 45 H ASN 45 31.957 -27.169 12.738 317 HA ASN 45 HA ASN 45 33.678 -26.365 14.665 318 1HB ASN 45 2HB ASN 45 31.431 -27.837 15.892 319 2HB ASN 45 3HB ASN 45 32.911 -28.728 16.113 320 1HD2 ASN 45 1HD2 ASN 45 31.809 -27.966 18.322 321 2HD2 ASN 45 2HD2 ASN 45 32.670 -26.561 18.978 322 H TYR 46 H TYR 46 35.394 -27.897 15.088 323 HA TYR 46 HA TYR 46 35.480 -30.323 13.409 324 1HB TYR 46 2HB TYR 46 37.661 -29.376 12.421 325 2HB TYR 46 3HB TYR 46 36.161 -28.732 11.798 326 HD1 TYR 46 HD1 TYR 46 39.359 -27.853 13.103 327 HD2 TYR 46 HD2 TYR 46 35.282 -26.454 12.852 328 HE1 TYR 46 HE1 TYR 46 40.081 -25.499 13.608 329 HE2 TYR 46 HE2 TYR 46 35.992 -24.202 13.521 330 HH TYR 46 HH TYR 46 38.909 -23.460 14.817 331 H LYS 47 H LYS 47 37.777 -31.235 13.593 332 HA LYS 47 HA LYS 47 38.755 -30.903 16.393 333 1HB LYS 47 2HB LYS 47 37.321 -32.981 15.916 334 2HB LYS 47 3HB LYS 47 38.710 -33.588 15.020 335 1HG LYS 47 2HG LYS 47 39.590 -32.460 17.589 336 2HG LYS 47 3HG LYS 47 38.241 -33.559 17.868 337 1HD LYS 47 2HD LYS 47 39.430 -35.355 16.668 338 2HD LYS 47 3HD LYS 47 40.721 -34.225 16.222 339 1HE LYS 47 2HE LYS 47 41.768 -35.021 18.062 340 2HE LYS 47 3HE LYS 47 40.771 -33.823 18.888 341 1HZ LYS 47 1HZ LYS 47 40.701 -36.634 19.153 342 2HZ LYS 47 2HZ LYS 47 39.843 -35.517 20.006 343 3HZ LYS 47 3HZ LYS 47 39.237 -36.134 18.607 344 HA PRO 48 HA PRO 48 42.171 -30.151 13.443 345 1HB PRO 48 2HB PRO 48 43.252 -27.994 14.846 346 2HB PRO 48 3HB PRO 48 42.052 -27.883 13.526 347 1HG PRO 48 2HG PRO 48 41.641 -27.489 16.448 348 2HG PRO 48 3HG PRO 48 40.663 -26.936 15.086 349 1HD PRO 48 2HD PRO 48 40.152 -29.163 16.775 350 2HD PRO 48 3HD PRO 48 39.238 -28.666 15.329 351 H LYS 49 H LYS 49 44.055 -31.119 13.684 352 HA LYS 49 HA LYS 49 44.696 -32.724 15.900 353 1HB LYS 49 2HB LYS 49 45.713 -32.520 13.377 354 2HB LYS 49 3HB LYS 49 46.946 -31.602 14.226 355 1HG LYS 49 2HG LYS 49 46.352 -34.052 15.717 356 2HG LYS 49 3HG LYS 49 46.601 -34.471 14.035 357 1HD LYS 49 2HD LYS 49 48.553 -32.685 15.548 358 2HD LYS 49 3HD LYS 49 48.615 -34.457 15.627 359 1HE LYS 49 2HE LYS 49 49.988 -34.291 13.878 360 2HE LYS 49 3HE LYS 49 48.475 -34.218 12.966 361 1HZ LYS 49 1HZ LYS 49 49.964 -32.388 12.349 362 2HZ LYS 49 2HZ LYS 49 48.642 -31.758 13.109 363 3HZ LYS 49 3HZ LYS 49 50.045 -31.870 13.918 364 H ASN 50 H ASN 50 46.729 -32.527 17.253 365 HA ASN 50 HA ASN 50 46.522 -30.328 19.040 366 1HB ASN 50 2HB ASN 50 48.669 -31.128 19.947 367 2HB ASN 50 3HB ASN 50 47.569 -32.477 19.682 368 1HD2 ASN 50 1HD2 ASN 50 48.293 -34.145 18.473 369 2HD2 ASN 50 2HD2 ASN 50 49.780 -34.013 17.488 Start of MODEL 2 1 1H ASP 1 H1 ASP 1 1.397 0.833 0.451 2 2H ASP 1 H2 ASP 1 1.570 -0.801 0.588 3 3H ASP 1 H3 ASP 1 0.271 -0.144 -0.231 4 HA ASP 1 HA ASP 1 2.772 -0.830 -1.276 5 1HB ASP 1 2HB ASP 1 0.170 0.304 -2.308 6 2HB ASP 1 3HB ASP 1 1.578 0.223 -3.379 7 H GLU 2 H GLU 2 4.111 0.825 0.167 8 HA GLU 2 HA GLU 2 3.967 3.576 -0.189 9 1HB GLU 2 2HB GLU 2 5.947 1.599 0.579 10 2HB GLU 2 3HB GLU 2 6.723 2.855 -0.369 11 1HG GLU 2 2HG GLU 2 6.187 4.571 1.113 12 2HG GLU 2 3HG GLU 2 4.835 3.691 1.839 13 H ALA 3 H ALA 3 4.865 1.221 -2.589 14 HA ALA 3 HA ALA 3 6.227 2.792 -4.495 15 1HB ALA 3 1HB ALA 3 5.856 0.302 -4.586 16 2HB ALA 3 2HB ALA 3 4.167 0.638 -5.053 17 3HB ALA 3 3HB ALA 3 5.496 1.174 -6.099 18 H GLN 4 H GLN 4 2.640 2.298 -4.195 19 HA GLN 4 HA GLN 4 1.728 3.858 -6.272 20 1HB GLN 4 2HB GLN 4 -0.323 3.894 -5.168 21 2HB GLN 4 3HB GLN 4 0.456 2.486 -4.449 22 1HG GLN 4 2HG GLN 4 1.219 4.140 -2.563 23 2HG GLN 4 3HG GLN 4 0.120 5.283 -3.280 24 1HE2 GLN 4 1HE2 GLN 4 -1.783 5.407 -2.265 25 2HE2 GLN 4 2HE2 GLN 4 -2.541 4.003 -1.479 26 H PHE 5 H PHE 5 3.187 4.935 -3.299 27 HA PHE 5 HA PHE 5 2.608 7.807 -3.728 28 1HB PHE 5 2HB PHE 5 2.459 6.569 -1.434 29 2HB PHE 5 3HB PHE 5 4.213 6.429 -1.529 30 HD1 PHE 5 HD1 PHE 5 1.495 8.968 -1.762 31 HD2 PHE 5 HD2 PHE 5 5.626 8.149 -0.784 32 HE1 PHE 5 HE1 PHE 5 1.743 11.252 -0.836 33 HE2 PHE 5 HE2 PHE 5 5.846 10.438 0.167 34 HZ PHE 5 HZ PHE 5 3.958 11.964 0.106 35 H LYS 6 H LYS 6 5.329 5.496 -3.570 36 HA LYS 6 HA LYS 6 7.490 7.300 -3.950 37 1HB LYS 6 2HB LYS 6 7.685 4.815 -3.435 38 2HB LYS 6 3HB LYS 6 7.268 4.508 -5.134 39 1HG LYS 6 2HG LYS 6 9.276 5.914 -5.803 40 2HG LYS 6 3HG LYS 6 9.703 5.991 -4.084 41 1HD LYS 6 2HD LYS 6 9.598 3.355 -4.224 42 2HD LYS 6 3HD LYS 6 9.601 3.618 -5.975 43 1HE LYS 6 2HE LYS 6 11.864 3.547 -5.729 44 2HE LYS 6 3HE LYS 6 11.652 5.257 -5.347 45 1HZ LYS 6 1HZ LYS 6 11.687 4.741 -3.023 46 2HZ LYS 6 2HZ LYS 6 11.638 3.120 -3.293 47 3HZ LYS 6 3HZ LYS 6 12.987 3.984 -3.684 48 H GLU 7 H GLU 7 5.142 6.079 -6.232 49 HA GLU 7 HA GLU 7 6.482 7.244 -8.516 50 1HB GLU 7 2HB GLU 7 4.210 5.508 -8.083 51 2HB GLU 7 3HB GLU 7 3.638 6.903 -8.983 52 1HG GLU 7 2HG GLU 7 6.066 5.212 -9.714 53 2HG GLU 7 3HG GLU 7 4.460 5.015 -10.418 54 H CYS 8 H CYS 8 4.014 8.325 -6.232 55 HA CYS 8 HA CYS 8 3.383 10.743 -7.755 56 1HB CYS 8 2HB CYS 8 2.116 9.426 -5.739 57 2HB CYS 8 3HB CYS 8 3.027 10.584 -4.792 58 H TYR 9 H TYR 9 5.480 9.923 -4.976 59 HA TYR 9 HA TYR 9 6.513 12.516 -4.551 60 1HB TYR 9 2HB TYR 9 6.698 10.297 -3.183 61 2HB TYR 9 3HB TYR 9 8.026 9.870 -4.233 62 HD1 TYR 9 HD1 TYR 9 10.141 11.295 -4.231 63 HD2 TYR 9 HD2 TYR 9 6.907 11.846 -1.420 64 HE1 TYR 9 HE1 TYR 9 11.675 12.469 -2.691 65 HE2 TYR 9 HE2 TYR 9 8.487 13.017 0.116 66 HH TYR 9 HH TYR 9 10.690 14.462 -0.328 67 H ASP 10 H ASP 10 7.890 9.846 -6.494 68 HA ASP 10 HA ASP 10 10.174 11.278 -7.423 69 1HB ASP 10 2HB ASP 10 9.526 8.707 -7.532 70 2HB ASP 10 3HB ASP 10 8.807 9.110 -9.077 71 H THR 11 H THR 11 7.061 10.536 -9.031 72 HA THR 11 HA THR 11 7.467 12.077 -11.342 73 HB THR 11 HB THR 11 4.844 11.190 -10.056 74 HG1 THR 11 1HG THR 11 5.319 9.365 -11.281 75 1HG2 THR 11 1HG2 THR 11 4.121 11.171 -12.498 76 2HG2 THR 11 2HG2 THR 11 4.179 12.767 -11.724 77 3HG2 THR 11 3HG2 THR 11 5.500 12.249 -12.813 78 H CYS 12 H CYS 12 5.850 12.930 -8.248 79 HA CYS 12 HA CYS 12 5.040 15.553 -8.946 80 1HB CYS 12 2HB CYS 12 4.268 14.453 -6.895 81 2HB CYS 12 3HB CYS 12 5.907 14.503 -6.227 82 H HIS 13 H HIS 13 8.122 14.290 -7.522 83 HA HIS 13 HA HIS 13 9.498 16.720 -7.333 84 1HB HIS 13 2HB HIS 13 10.208 14.238 -6.749 85 2HB HIS 13 3HB HIS 13 10.943 14.317 -8.333 86 HD1 HIS 13 HD1 HIS 13 12.964 16.005 -8.617 87 HD2 HIS 13 HD2 HIS 13 11.237 15.724 -4.777 88 HE1 HIS 13 HE1 HIS 13 14.634 17.101 -7.016 89 HE2 HIS 13 HE2 HIS 13 13.515 16.945 -4.597 90 H LYS 14 H LYS 14 9.038 14.708 -10.183 91 HA LYS 14 HA LYS 14 10.679 16.162 -12.009 92 1HB LYS 14 2HB LYS 14 9.117 13.911 -12.196 93 2HB LYS 14 3HB LYS 14 8.104 15.068 -13.068 94 1HG LYS 14 2HG LYS 14 10.178 15.718 -14.403 95 2HG LYS 14 3HG LYS 14 11.013 14.361 -13.605 96 1HD LYS 14 2HD LYS 14 9.131 12.853 -14.455 97 2HD LYS 14 3HD LYS 14 8.526 14.260 -15.360 98 1HE LYS 14 2HE LYS 14 11.132 14.314 -16.138 99 2HE LYS 14 3HE LYS 14 10.999 12.589 -15.757 100 1HZ LYS 14 1HZ LYS 14 8.999 12.578 -17.222 101 2HZ LYS 14 2HZ LYS 14 9.325 14.130 -17.656 102 3HZ LYS 14 3HZ LYS 14 10.388 12.926 -18.040 103 H GLU 15 H GLU 15 7.115 16.510 -11.662 104 HA GLU 15 HA GLU 15 7.058 19.071 -13.028 105 1HB GLU 15 2HB GLU 15 5.158 17.374 -12.765 106 2HB GLU 15 3HB GLU 15 4.959 17.993 -11.118 107 1HG GLU 15 2HG GLU 15 4.346 20.166 -11.902 108 2HG GLU 15 3HG GLU 15 5.045 19.883 -13.499 109 H CYS 16 H CYS 16 8.026 18.213 -9.897 110 HA CYS 16 HA CYS 16 7.398 20.684 -8.623 111 1HB CYS 16 2HB CYS 16 7.703 18.505 -7.434 112 2HB CYS 16 3HB CYS 16 9.437 18.671 -7.703 113 H SER 17 H SER 17 10.532 19.169 -9.466 114 HA SER 17 HA SER 17 12.244 21.411 -9.190 115 1HB SER 17 2HB SER 17 12.478 18.750 -10.136 116 2HB SER 17 3HB SER 17 12.962 19.770 -11.483 117 HG SER 17 HG SER 17 13.980 20.322 -8.922 118 H ASP 18 H ASP 18 9.911 20.683 -11.738 119 HA ASP 18 HA ASP 18 10.724 22.418 -13.822 120 1HB ASP 18 2HB ASP 18 8.867 21.010 -14.242 121 2HB ASP 18 3HB ASP 18 8.091 21.481 -12.746 122 H LYS 19 H LYS 19 9.137 23.168 -10.676 123 HA LYS 19 HA LYS 19 8.608 25.859 -11.275 124 1HB LYS 19 2HB LYS 19 8.544 24.085 -8.919 125 2HB LYS 19 3HB LYS 19 9.180 25.597 -8.484 126 1HG LYS 19 2HG LYS 19 6.796 25.786 -10.267 127 2HG LYS 19 3HG LYS 19 6.485 24.773 -8.877 128 1HD LYS 19 2HD LYS 19 6.362 26.514 -7.476 129 2HD LYS 19 3HD LYS 19 7.893 27.217 -8.044 130 1HE LYS 19 2HE LYS 19 6.831 28.209 -9.970 131 2HE LYS 19 3HE LYS 19 5.277 27.470 -9.562 132 1HZ LYS 19 1HZ LYS 19 6.274 28.889 -7.337 133 2HZ LYS 19 2HZ LYS 19 6.290 29.894 -8.635 134 3HZ LYS 19 3HZ LYS 19 4.882 29.165 -8.175 135 H GLY 20 H GLY 20 11.541 24.385 -11.086 136 1HA GLY 20 2HA GLY 20 13.653 25.199 -11.397 137 2HA GLY 20 3HA GLY 20 13.062 26.854 -11.191 138 H ASN 21 H ASN 21 12.112 24.716 -8.712 139 HA ASN 21 HA ASN 21 13.755 26.073 -6.708 140 1HB ASN 21 2HB ASN 21 12.420 24.514 -5.168 141 2HB ASN 21 3HB ASN 21 11.481 25.725 -6.018 142 1HD2 ASN 21 1HD2 ASN 21 9.645 24.216 -5.479 143 2HD2 ASN 21 2HD2 ASN 21 9.472 22.894 -6.656 144 H GLY 22 H GLY 22 14.446 24.407 -4.932 145 1HA GLY 22 2HA GLY 22 16.525 22.712 -6.207 146 2HA GLY 22 3HA GLY 22 16.430 23.147 -4.488 147 H PHE 23 H PHE 23 16.757 20.532 -5.837 148 HA PHE 23 HA PHE 23 14.547 18.903 -5.714 149 1HB PHE 23 2HB PHE 23 16.092 17.087 -5.514 150 2HB PHE 23 3HB PHE 23 16.939 18.318 -6.432 151 HD1 PHE 23 HD1 PHE 23 18.803 19.583 -5.318 152 HD2 PHE 23 HD2 PHE 23 16.681 16.447 -3.225 153 HE1 PHE 23 HE1 PHE 23 20.559 19.535 -3.568 154 HE2 PHE 23 HE2 PHE 23 18.412 16.428 -1.494 155 HZ PHE 23 HZ PHE 23 20.379 17.940 -1.662 156 H THR 24 H THR 24 16.676 19.731 -3.015 157 HA THR 24 HA THR 24 15.575 18.195 -0.996 158 HB THR 24 HB THR 24 17.207 20.683 -1.148 159 HG1 THR 24 1HG THR 24 18.550 19.362 -0.120 160 1HG2 THR 24 1HG2 THR 24 15.633 20.001 1.357 161 2HG2 THR 24 2HG2 THR 24 17.216 20.791 1.441 162 3HG2 THR 24 3HG2 THR 24 15.893 21.599 0.610 163 H PHE 25 H PHE 25 14.827 21.666 -1.429 164 HA PHE 25 HA PHE 25 12.579 21.747 0.262 165 1HB PHE 25 2HB PHE 25 13.563 23.788 -0.572 166 2HB PHE 25 3HB PHE 25 13.402 23.262 -2.244 167 HD1 PHE 25 HD1 PHE 25 11.380 23.543 -3.503 168 HD2 PHE 25 HD2 PHE 25 11.440 24.399 0.720 169 HE1 PHE 25 HE1 PHE 25 9.212 24.728 -3.710 170 HE2 PHE 25 HE2 PHE 25 9.270 25.560 0.522 171 HZ PHE 25 HZ PHE 25 8.169 25.765 -1.722 172 H CYS 26 H CYS 26 12.823 20.746 -3.195 173 HA CYS 26 HA CYS 26 10.045 20.502 -3.584 174 1HB CYS 26 2HB CYS 26 12.526 19.778 -5.002 175 2HB CYS 26 3HB CYS 26 11.265 18.573 -5.176 176 H GLU 27 H GLU 27 12.496 18.358 -2.117 177 HA GLU 27 HA GLU 27 10.908 15.981 -2.161 178 1HB GLU 27 2HB GLU 27 13.540 16.856 -1.147 179 2HB GLU 27 3HB GLU 27 12.657 15.956 0.073 180 1HG GLU 27 2HG GLU 27 12.285 14.432 -2.207 181 2HG GLU 27 3HG GLU 27 13.853 15.104 -2.510 182 H MET 28 H MET 28 11.732 18.149 0.568 183 HA MET 28 HA MET 28 9.838 17.108 2.375 184 1HB MET 28 2HB MET 28 11.734 19.048 2.496 185 2HB MET 28 3HB MET 28 10.312 20.082 2.365 186 1HG MET 28 2HG MET 28 9.300 18.878 4.316 187 2HG MET 28 3HG MET 28 10.783 17.930 4.467 188 1HE MET 28 1HE MET 28 13.473 20.518 5.478 189 2HE MET 28 2HE MET 28 13.014 18.799 5.591 190 3HE MET 28 3HE MET 28 13.135 19.589 4.007 191 H LYS 29 H LYS 29 9.285 19.039 -0.411 192 HA LYS 29 HA LYS 29 6.587 19.879 0.426 193 1HB LYS 29 2HB LYS 29 8.302 21.317 -0.983 194 2HB LYS 29 3HB LYS 29 7.760 20.335 -2.329 195 1HG LYS 29 2HG LYS 29 6.166 22.034 -2.418 196 2HG LYS 29 3HG LYS 29 5.332 20.996 -1.248 197 1HD LYS 29 2HD LYS 29 6.370 22.244 0.631 198 2HD LYS 29 3HD LYS 29 7.271 23.243 -0.515 199 1HE LYS 29 2HE LYS 29 4.420 23.189 -1.178 200 2HE LYS 29 3HE LYS 29 4.645 23.675 0.507 201 1HZ LYS 29 1HZ LYS 29 6.102 25.412 -0.196 202 2HZ LYS 29 2HZ LYS 29 6.098 24.888 -1.761 203 3HZ LYS 29 3HZ LYS 29 4.731 25.536 -1.104 204 H CYS 30 H CYS 30 7.904 18.140 -2.429 205 HA CYS 30 HA CYS 30 5.657 16.951 -3.468 206 1HB CYS 30 2HB CYS 30 8.502 16.005 -3.203 207 2HB CYS 30 3HB CYS 30 7.286 15.046 -4.014 208 H ASP 31 H ASP 31 7.471 16.084 -0.550 209 HA ASP 31 HA ASP 31 6.294 13.597 0.052 210 1HB ASP 31 2HB ASP 31 8.251 15.066 1.207 211 2HB ASP 31 3HB ASP 31 6.958 15.620 2.218 212 H THR 32 H THR 32 5.474 16.797 1.342 213 HA THR 32 HA THR 32 2.882 15.874 2.345 214 HB THR 32 HB THR 32 4.486 18.383 2.497 215 HG1 THR 32 1HG THR 32 4.530 17.668 4.419 216 1HG2 THR 32 1HG2 THR 32 2.596 19.613 3.573 217 2HG2 THR 32 2HG2 THR 32 2.373 19.377 1.829 218 3HG2 THR 32 3HG2 THR 32 1.486 18.354 2.987 219 H ASP 33 H ASP 33 3.961 17.043 -0.697 220 HA ASP 33 HA ASP 33 1.714 18.375 -1.701 221 1HB ASP 33 2HB ASP 33 3.860 18.342 -2.895 222 2HB ASP 33 3HB ASP 33 3.714 16.592 -3.102 223 H CYS 34 H CYS 34 2.668 15.068 -2.643 224 HA CYS 34 HA CYS 34 -0.039 14.363 -3.267 225 1HB CYS 34 2HB CYS 34 2.440 12.649 -2.843 226 2HB CYS 34 3HB CYS 34 0.879 12.041 -3.412 227 H SER 35 H SER 35 1.761 14.427 -0.329 228 HA SER 35 HA SER 35 -0.164 12.661 1.032 229 1HB SER 35 2HB SER 35 2.224 12.172 1.327 230 2HB SER 35 3HB SER 35 2.389 13.662 2.278 231 HG SER 35 HG SER 35 0.237 12.076 2.930 232 H VAL 36 H VAL 36 -1.711 14.692 0.804 233 HA VAL 36 HA VAL 36 -1.130 17.055 2.220 234 HB VAL 36 HB VAL 36 -3.933 16.269 1.598 235 1HG1 VAL 36 1HG1 VAL 36 -2.544 18.733 2.228 236 2HG1 VAL 36 2HG1 VAL 36 -3.208 18.884 0.614 237 3HG1 VAL 36 3HG1 VAL 36 -4.277 18.465 1.957 238 1HG2 VAL 36 1HG2 VAL 36 -3.290 17.298 -0.833 239 2HG2 VAL 36 2HG2 VAL 36 -1.794 16.506 -0.421 240 3HG2 VAL 36 3HG2 VAL 36 -3.286 15.565 -0.464 241 H LYS 37 H LYS 37 -3.236 17.674 3.752 242 HA LYS 37 HA LYS 37 -3.642 15.550 5.756 243 1HB LYS 37 2HB LYS 37 -1.898 17.956 6.165 244 2HB LYS 37 3HB LYS 37 -3.062 17.642 7.446 245 1HG LYS 37 2HG LYS 37 -1.409 16.271 8.224 246 2HG LYS 37 3HG LYS 37 -2.161 15.106 7.152 247 1HD LYS 37 2HD LYS 37 -0.416 16.064 5.357 248 2HD LYS 37 3HD LYS 37 0.371 16.721 6.784 249 1HE LYS 37 2HE LYS 37 0.064 14.221 7.677 250 2HE LYS 37 3HE LYS 37 -0.084 13.841 5.954 251 1HZ LYS 37 1HZ LYS 37 2.070 14.553 5.537 252 2HZ LYS 37 2HZ LYS 37 2.156 15.502 6.870 253 3HZ LYS 37 3HZ LYS 37 2.264 13.867 7.023 254 H ASP 38 H ASP 38 -5.598 15.451 6.417 255 HA ASP 38 HA ASP 38 -7.646 17.247 5.471 256 1HB ASP 38 2HB ASP 38 -8.166 14.904 5.895 257 2HB ASP 38 3HB ASP 38 -7.630 15.045 7.574 258 H VAL 39 H VAL 39 -8.655 18.845 6.513 259 HA VAL 39 HA VAL 39 -7.931 19.573 9.294 260 HB VAL 39 HB VAL 39 -7.681 21.386 6.875 261 1HG1 VAL 39 1HG1 VAL 39 -8.334 23.094 8.176 262 2HG1 VAL 39 2HG1 VAL 39 -8.387 22.100 9.634 263 3HG1 VAL 39 3HG1 VAL 39 -6.869 22.870 9.144 264 1HG2 VAL 39 1HG2 VAL 39 -5.600 20.936 9.034 265 2HG2 VAL 39 2HG2 VAL 39 -5.678 19.904 7.606 266 3HG2 VAL 39 3HG2 VAL 39 -5.405 21.624 7.397 267 H LYS 40 H LYS 40 -10.046 18.263 9.097 268 HA LYS 40 HA LYS 40 -12.406 19.339 8.190 269 1HB LYS 40 2HB LYS 40 -11.688 17.792 10.694 270 2HB LYS 40 3HB LYS 40 -13.293 18.493 10.578 271 1HG LYS 40 2HG LYS 40 -12.941 17.315 8.041 272 2HG LYS 40 3HG LYS 40 -12.131 16.182 9.111 273 1HD LYS 40 2HD LYS 40 -14.056 15.523 10.136 274 2HD LYS 40 3HD LYS 40 -14.807 17.130 10.050 275 1HE LYS 40 2HE LYS 40 -15.002 16.795 7.531 276 2HE LYS 40 3HE LYS 40 -14.553 15.107 7.805 277 1HZ LYS 40 1HZ LYS 40 -16.459 15.339 9.590 278 2HZ LYS 40 2HZ LYS 40 -16.980 16.546 8.609 279 3HZ LYS 40 3HZ LYS 40 -16.840 15.010 8.017 280 H GLU 41 H GLU 41 -13.829 20.878 8.652 281 HA GLU 41 HA GLU 41 -12.908 23.311 9.666 282 1HB GLU 41 2HB GLU 41 -15.529 22.170 8.835 283 2HB GLU 41 3HB GLU 41 -15.678 23.455 10.015 284 1HG GLU 41 2HG GLU 41 -13.762 24.035 7.789 285 2HG GLU 41 3HG GLU 41 -15.448 23.852 7.312 286 H LYS 42 H LYS 42 -13.926 24.587 11.426 287 HA LYS 42 HA LYS 42 -13.468 23.022 13.925 288 1HB LYS 42 2HB LYS 42 -12.255 25.118 13.614 289 2HB LYS 42 3HB LYS 42 -13.783 26.011 13.473 290 1HG LYS 42 2HG LYS 42 -14.359 25.653 15.737 291 2HG LYS 42 3HG LYS 42 -13.276 24.269 15.910 292 1HD LYS 42 2HD LYS 42 -11.933 26.840 15.174 293 2HD LYS 42 3HD LYS 42 -12.698 26.836 16.762 294 1HE LYS 42 2HE LYS 42 -10.906 24.550 15.847 295 2HE LYS 42 3HE LYS 42 -10.221 26.016 16.565 296 1HZ LYS 42 1HZ LYS 42 -12.297 24.345 17.865 297 2HZ LYS 42 2HZ LYS 42 -10.691 24.268 18.235 298 3HZ LYS 42 3HZ LYS 42 -11.552 25.644 18.528 299 H LEU 43 H LEU 43 -15.319 21.774 13.724 300 HA LEU 43 HA LEU 43 -17.960 22.571 13.565 301 1HB LEU 43 2HB LEU 43 -16.508 20.273 14.702 302 2HB LEU 43 3HB LEU 43 -17.872 20.640 15.701 303 HG LEU 43 HG LEU 43 -18.674 20.699 12.884 304 1HD1 LEU 43 1HD1 LEU 43 -18.009 17.889 13.669 305 2HD1 LEU 43 2HD1 LEU 43 -18.143 18.656 12.069 306 3HD1 LEU 43 3HD1 LEU 43 -16.695 18.902 13.048 307 1HD2 LEU 43 1HD2 LEU 43 -20.558 19.596 13.647 308 2HD2 LEU 43 2HD2 LEU 43 -19.678 18.683 14.895 309 3HD2 LEU 43 3HD2 LEU 43 -20.037 20.392 15.132 310 H GLU 44 H GLU 44 -19.638 22.844 15.213 311 HA GLU 44 HA GLU 44 -18.661 24.493 17.491 312 1HB GLU 44 2HB GLU 44 -20.796 24.943 15.431 313 2HB GLU 44 3HB GLU 44 -21.061 25.572 17.048 314 1HG GLU 44 2HG GLU 44 -19.475 27.156 16.946 315 2HG GLU 44 3HG GLU 44 -18.326 26.176 16.055 316 H ASN 45 H ASN 45 -20.235 24.725 19.182 317 HA ASN 45 HA ASN 45 -21.917 22.336 19.617 318 1HB ASN 45 2HB ASN 45 -19.441 23.076 21.118 319 2HB ASN 45 3HB ASN 45 -20.843 22.815 22.143 320 1HD2 ASN 45 1HD2 ASN 45 -21.731 20.757 22.386 321 2HD2 ASN 45 2HD2 ASN 45 -20.903 19.376 21.644 322 H TYR 46 H TYR 46 -23.295 22.626 21.539 323 HA TYR 46 HA TYR 46 -24.071 25.467 21.947 324 1HB TYR 46 2HB TYR 46 -25.436 23.895 20.260 325 2HB TYR 46 3HB TYR 46 -26.109 23.254 21.755 326 HD1 TYR 46 HD1 TYR 46 -28.019 24.346 22.637 327 HD2 TYR 46 HD2 TYR 46 -25.376 26.493 19.978 328 HE1 TYR 46 HE1 TYR 46 -29.595 26.273 22.624 329 HE2 TYR 46 HE2 TYR 46 -26.972 28.413 19.964 330 HH TYR 46 HH TYR 46 -30.116 28.194 20.952 331 H LYS 47 H LYS 47 -25.424 25.772 23.823 332 HA LYS 47 HA LYS 47 -25.452 23.641 25.810 333 1HB LYS 47 2HB LYS 47 -23.164 25.124 25.827 334 2HB LYS 47 3HB LYS 47 -24.125 26.067 26.932 335 1HG LYS 47 2HG LYS 47 -24.499 23.247 27.607 336 2HG LYS 47 3HG LYS 47 -22.801 23.488 27.264 337 1HD LYS 47 2HD LYS 47 -22.716 24.085 29.457 338 2HD LYS 47 3HD LYS 47 -23.217 25.662 28.859 339 1HE LYS 47 2HE LYS 47 -25.607 24.060 29.136 340 2HE LYS 47 3HE LYS 47 -24.635 23.760 30.576 341 1HZ LYS 47 1HZ LYS 47 -25.369 26.440 29.554 342 2HZ LYS 47 2HZ LYS 47 -26.155 25.654 30.766 343 3HZ LYS 47 3HZ LYS 47 -24.579 26.123 30.974 344 HA PRO 48 HA PRO 48 -29.064 26.425 25.955 345 1HB PRO 48 2HB PRO 48 -30.930 24.390 26.340 346 2HB PRO 48 3HB PRO 48 -30.421 25.052 24.761 347 1HG PRO 48 2HG PRO 48 -29.728 22.439 25.986 348 2HG PRO 48 3HG PRO 48 -29.655 22.951 24.274 349 1HD PRO 48 2HD PRO 48 -27.501 22.745 26.156 350 2HD PRO 48 3HD PRO 48 -27.416 23.332 24.476 351 H LYS 49 H LYS 49 -29.816 27.282 27.767 352 HA LYS 49 HA LYS 49 -28.761 26.726 30.276 353 1HB LYS 49 2HB LYS 49 -30.268 28.754 29.315 354 2HB LYS 49 3HB LYS 49 -31.540 27.910 30.161 355 1HG LYS 49 2HG LYS 49 -29.093 28.158 31.829 356 2HG LYS 49 3HG LYS 49 -29.638 29.709 31.204 357 1HD LYS 49 2HD LYS 49 -32.017 28.942 32.051 358 2HD LYS 49 3HD LYS 49 -31.115 27.767 33.016 359 1HE LYS 49 2HE LYS 49 -30.475 30.755 32.960 360 2HE LYS 49 3HE LYS 49 -31.701 30.086 34.040 361 1HZ LYS 49 1HZ LYS 49 -28.891 30.042 34.369 362 2HZ LYS 49 2HZ LYS 49 -30.060 29.587 35.434 363 3HZ LYS 49 3HZ LYS 49 -29.472 28.497 34.361 364 H ASN 50 H ASN 50 -32.152 25.970 29.474 365 HA ASN 50 HA ASN 50 -31.990 23.388 30.870 366 1HB ASN 50 2HB ASN 50 -33.838 25.726 31.469 367 2HB ASN 50 3HB ASN 50 -34.453 24.091 31.606 368 1HD2 ASN 50 1HD2 ASN 50 -34.796 25.070 33.788 369 2HD2 ASN 50 2HD2 ASN 50 -33.502 24.655 34.934 Start of MODEL 3 1 1H ASP 1 H1 ASP 1 0.601 -0.696 -0.088 2 2H ASP 1 H2 ASP 1 0.931 0.914 0.164 3 3H ASP 1 H3 ASP 1 1.945 -0.271 0.764 4 HA ASP 1 HA ASP 1 2.101 0.999 -1.698 5 1HB ASP 1 2HB ASP 1 3.767 -0.374 0.109 6 2HB ASP 1 3HB ASP 1 3.769 -1.425 -1.313 7 H GLU 2 H GLU 2 0.941 0.507 -3.531 8 HA GLU 2 HA GLU 2 -0.467 -1.978 -3.843 9 1HB GLU 2 2HB GLU 2 -0.043 0.481 -5.325 10 2HB GLU 2 3HB GLU 2 0.146 -0.900 -6.399 11 1HG GLU 2 2HG GLU 2 -2.024 -1.811 -5.698 12 2HG GLU 2 3HG GLU 2 -2.233 -0.472 -4.555 13 H ALA 3 H ALA 3 2.887 -1.023 -4.509 14 HA ALA 3 HA ALA 3 3.587 -3.037 -6.367 15 1HB ALA 3 1HB ALA 3 5.666 -2.228 -6.059 16 2HB ALA 3 2HB ALA 3 4.904 -0.999 -4.994 17 3HB ALA 3 3HB ALA 3 5.615 -2.475 -4.303 18 H GLN 4 H GLN 4 3.755 -3.183 -2.777 19 HA GLN 4 HA GLN 4 4.634 -5.762 -2.424 20 1HB GLN 4 2HB GLN 4 2.961 -3.861 -0.897 21 2HB GLN 4 3HB GLN 4 2.559 -5.517 -0.534 22 1HG GLN 4 2HG GLN 4 5.496 -4.950 -0.600 23 2HG GLN 4 3HG GLN 4 4.583 -4.092 0.638 24 1HE2 GLN 4 1HE2 GLN 4 3.809 -5.190 2.423 25 2HE2 GLN 4 2HE2 GLN 4 4.060 -6.948 2.582 26 H PHE 5 H PHE 5 1.528 -4.853 -3.662 27 HA PHE 5 HA PHE 5 0.436 -7.630 -3.611 28 1HB PHE 5 2HB PHE 5 -0.887 -5.428 -3.088 29 2HB PHE 5 3HB PHE 5 -0.684 -5.047 -4.801 30 HD1 PHE 5 HD1 PHE 5 -2.427 -7.065 -2.405 31 HD2 PHE 5 HD2 PHE 5 -1.649 -6.500 -6.609 32 HE1 PHE 5 HE1 PHE 5 -4.431 -8.322 -2.949 33 HE2 PHE 5 HE2 PHE 5 -3.675 -7.832 -7.155 34 HZ PHE 5 HZ PHE 5 -5.014 -8.800 -5.367 35 H LYS 6 H LYS 6 1.533 -5.045 -5.883 36 HA LYS 6 HA LYS 6 0.954 -6.494 -8.323 37 1HB LYS 6 2HB LYS 6 2.018 -3.936 -7.683 38 2HB LYS 6 3HB LYS 6 3.347 -4.777 -8.459 39 1HG LYS 6 2HG LYS 6 2.236 -3.879 -10.311 40 2HG LYS 6 3HG LYS 6 1.534 -5.485 -10.234 41 1HD LYS 6 2HD LYS 6 -0.406 -4.275 -10.372 42 2HD LYS 6 3HD LYS 6 -0.253 -4.262 -8.617 43 1HE LYS 6 2HE LYS 6 0.333 -2.035 -8.515 44 2HE LYS 6 3HE LYS 6 1.188 -2.081 -10.054 45 1HZ LYS 6 1HZ LYS 6 -1.437 -1.189 -9.576 46 2HZ LYS 6 2HZ LYS 6 -0.631 -1.261 -11.029 47 3HZ LYS 6 3HZ LYS 6 -1.539 -2.526 -10.517 48 H GLU 7 H GLU 7 3.541 -6.764 -6.006 49 HA GLU 7 HA GLU 7 5.117 -8.502 -7.722 50 1HB GLU 7 2HB GLU 7 5.280 -7.806 -4.771 51 2HB GLU 7 3HB GLU 7 6.355 -8.955 -5.578 52 1HG GLU 7 2HG GLU 7 6.616 -6.869 -7.292 53 2HG GLU 7 3HG GLU 7 6.231 -5.968 -5.834 54 H CYS 8 H CYS 8 2.584 -8.875 -5.267 55 HA CYS 8 HA CYS 8 3.022 -11.774 -5.074 56 1HB CYS 8 2HB CYS 8 1.732 -9.961 -3.479 57 2HB CYS 8 3HB CYS 8 0.395 -10.536 -4.470 58 H TYR 9 H TYR 9 0.795 -9.572 -6.815 59 HA TYR 9 HA TYR 9 -0.688 -11.610 -8.132 60 1HB TYR 9 2HB TYR 9 -1.024 -9.022 -7.912 61 2HB TYR 9 3HB TYR 9 0.085 -8.875 -9.267 62 HD1 TYR 9 HD1 TYR 9 -0.544 -9.973 -11.510 63 HD2 TYR 9 HD2 TYR 9 -3.306 -9.589 -8.215 64 HE1 TYR 9 HE1 TYR 9 -2.454 -10.203 -13.070 65 HE2 TYR 9 HE2 TYR 9 -5.185 -9.758 -9.801 66 HH TYR 9 HH TYR 9 -5.705 -10.698 -11.823 67 H ASP 10 H ASP 10 2.162 -9.767 -9.295 68 HA ASP 10 HA ASP 10 2.371 -11.076 -11.802 69 1HB ASP 10 2HB ASP 10 3.567 -8.922 -10.825 70 2HB ASP 10 3HB ASP 10 4.800 -10.045 -10.288 71 H THR 11 H THR 11 4.167 -11.574 -8.763 72 HA THR 11 HA THR 11 5.634 -13.837 -9.582 73 HB THR 11 HB THR 11 4.854 -12.974 -6.778 74 HG1 THR 11 1HG THR 11 6.836 -11.911 -6.962 75 1HG2 THR 11 1HG2 THR 11 7.355 -14.470 -7.575 76 2HG2 THR 11 2HG2 THR 11 6.664 -14.184 -5.954 77 3HG2 THR 11 3HG2 THR 11 5.894 -15.351 -7.055 78 H CYS 12 H CYS 12 2.489 -13.559 -7.808 79 HA CYS 12 HA CYS 12 2.069 -16.345 -7.437 80 1HB CYS 12 2HB CYS 12 0.697 -14.648 -6.335 81 2HB CYS 12 3HB CYS 12 0.011 -14.157 -7.900 82 H HIS 13 H HIS 13 1.242 -14.145 -10.171 83 HA HIS 13 HA HIS 13 -0.002 -16.018 -11.838 84 1HB HIS 13 2HB HIS 13 0.513 -13.427 -12.152 85 2HB HIS 13 3HB HIS 13 1.897 -14.069 -13.033 86 HD1 HIS 13 HD1 HIS 13 1.422 -14.817 -15.441 87 HD2 HIS 13 HD2 HIS 13 -2.018 -14.243 -13.051 88 HE1 HIS 13 HE1 HIS 13 -0.559 -14.947 -17.001 89 HE2 HIS 13 HE2 HIS 13 -2.689 -14.551 -15.546 90 H LYS 14 H LYS 14 3.463 -15.458 -11.355 91 HA LYS 14 HA LYS 14 4.413 -17.267 -13.368 92 1HB LYS 14 2HB LYS 14 5.541 -15.818 -11.094 93 2HB LYS 14 3HB LYS 14 6.120 -17.471 -11.048 94 1HG LYS 14 2HG LYS 14 7.683 -16.624 -12.463 95 2HG LYS 14 3HG LYS 14 6.461 -16.992 -13.690 96 1HD LYS 14 2HD LYS 14 5.605 -14.481 -12.936 97 2HD LYS 14 3HD LYS 14 7.297 -14.352 -12.493 98 1HE LYS 14 2HE LYS 14 7.591 -13.749 -14.653 99 2HE LYS 14 3HE LYS 14 7.550 -15.492 -14.965 100 1HZ LYS 14 1HZ LYS 14 5.980 -13.999 -16.296 101 2HZ LYS 14 2HZ LYS 14 5.295 -15.328 -15.593 102 3HZ LYS 14 3HZ LYS 14 5.120 -13.826 -14.918 103 H GLU 15 H GLU 15 4.086 -18.097 -9.896 104 HA GLU 15 HA GLU 15 4.206 -20.926 -10.419 105 1HB GLU 15 2HB GLU 15 4.597 -19.560 -8.206 106 2HB GLU 15 3HB GLU 15 2.855 -19.725 -7.999 107 1HG GLU 15 2HG GLU 15 2.995 -22.138 -7.994 108 2HG GLU 15 3HG GLU 15 4.651 -22.108 -8.599 109 H CYS 16 H CYS 16 1.735 -18.652 -10.937 110 HA CYS 16 HA CYS 16 -0.477 -20.478 -10.616 111 1HB CYS 16 2HB CYS 16 -0.581 -17.960 -10.402 112 2HB CYS 16 3HB CYS 16 -0.544 -17.910 -12.184 113 H SER 17 H SER 17 0.845 -18.771 -13.515 114 HA SER 17 HA SER 17 -0.352 -20.274 -15.557 115 1HB SER 17 2HB SER 17 1.649 -18.286 -15.366 116 2HB SER 17 3HB SER 17 2.420 -19.655 -16.163 117 HG SER 17 HG SER 17 1.232 -19.349 -17.865 118 H ASP 18 H ASP 18 2.279 -21.216 -13.381 119 HA ASP 18 HA ASP 18 3.444 -23.409 -14.733 120 1HB ASP 18 2HB ASP 18 4.401 -22.779 -12.657 121 2HB ASP 18 3HB ASP 18 2.834 -22.752 -11.864 122 H LYS 19 H LYS 19 0.214 -23.080 -13.188 123 HA LYS 19 HA LYS 19 -0.365 -25.861 -13.196 124 1HB LYS 19 2HB LYS 19 -1.808 -23.315 -12.710 125 2HB LYS 19 3HB LYS 19 -2.782 -24.396 -13.552 126 1HG LYS 19 2HG LYS 19 -1.311 -25.736 -11.365 127 2HG LYS 19 3HG LYS 19 -2.144 -24.302 -10.775 128 1HD LYS 19 2HD LYS 19 -4.273 -25.092 -11.500 129 2HD LYS 19 3HD LYS 19 -3.560 -26.326 -12.549 130 1HE LYS 19 2HE LYS 19 -2.699 -26.561 -9.738 131 2HE LYS 19 3HE LYS 19 -4.448 -26.701 -9.913 132 1HZ LYS 19 1HZ LYS 19 -3.009 -28.179 -11.898 133 2HZ LYS 19 2HZ LYS 19 -2.632 -28.690 -10.394 134 3HZ LYS 19 3HZ LYS 19 -4.203 -28.703 -10.902 135 H GLY 20 H GLY 20 0.213 -23.853 -15.758 136 1HA GLY 20 2HA GLY 20 0.255 -24.340 -18.007 137 2HA GLY 20 3HA GLY 20 -0.668 -25.818 -17.735 138 H ASN 21 H ASN 21 -2.053 -23.073 -16.248 139 HA ASN 21 HA ASN 21 -4.341 -23.111 -18.084 140 1HB ASN 21 2HB ASN 21 -5.211 -21.405 -16.388 141 2HB ASN 21 3HB ASN 21 -4.971 -23.037 -15.776 142 1HD2 ASN 21 1HD2 ASN 21 -4.751 -22.337 -13.626 143 2HD2 ASN 21 2HD2 ASN 21 -3.275 -21.439 -13.173 144 H GLY 22 H GLY 22 -5.249 -20.738 -18.268 145 1HA GLY 22 2HA GLY 22 -3.313 -19.299 -19.988 146 2HA GLY 22 3HA GLY 22 -5.046 -18.947 -19.824 147 H PHE 23 H PHE 23 -2.892 -17.079 -19.802 148 HA PHE 23 HA PHE 23 -2.228 -16.197 -17.234 149 1HB PHE 23 2HB PHE 23 -1.877 -13.990 -18.417 150 2HB PHE 23 3HB PHE 23 -1.099 -15.335 -19.238 151 HD1 PHE 23 HD1 PHE 23 -3.813 -12.808 -19.371 152 HD2 PHE 23 HD2 PHE 23 -2.020 -16.178 -21.372 153 HE1 PHE 23 HE1 PHE 23 -5.110 -12.301 -21.390 154 HE2 PHE 23 HE2 PHE 23 -3.305 -15.642 -23.414 155 HZ PHE 23 HZ PHE 23 -4.852 -13.701 -23.433 156 H THR 24 H THR 24 -4.919 -15.160 -19.318 157 HA THR 24 HA THR 24 -6.056 -13.303 -17.636 158 HB THR 24 HB THR 24 -6.964 -14.998 -19.872 159 HG1 THR 24 1HG THR 24 -7.532 -12.971 -20.570 160 1HG2 THR 24 1HG2 THR 24 -9.369 -14.127 -19.634 161 2HG2 THR 24 2HG2 THR 24 -8.942 -15.499 -18.609 162 3HG2 THR 24 3HG2 THR 24 -8.995 -13.854 -17.915 163 H PHE 25 H PHE 25 -7.206 -16.680 -17.817 164 HA PHE 25 HA PHE 25 -8.885 -16.664 -15.607 165 1HB PHE 25 2HB PHE 25 -8.779 -18.571 -17.072 166 2HB PHE 25 3HB PHE 25 -7.041 -18.749 -16.813 167 HD1 PHE 25 HD1 PHE 25 -6.141 -20.018 -15.012 168 HD2 PHE 25 HD2 PHE 25 -10.336 -19.104 -15.098 169 HE1 PHE 25 HE1 PHE 25 -6.540 -21.666 -13.203 170 HE2 PHE 25 HE2 PHE 25 -10.728 -20.733 -13.278 171 HZ PHE 25 HZ PHE 25 -8.830 -22.027 -12.339 172 H CYS 26 H CYS 26 -5.330 -17.266 -15.640 173 HA CYS 26 HA CYS 26 -5.155 -17.699 -12.860 174 1HB CYS 26 2HB CYS 26 -3.328 -17.423 -15.136 175 2HB CYS 26 3HB CYS 26 -2.722 -16.608 -13.716 176 H GLU 27 H GLU 27 -5.161 -14.762 -14.888 177 HA GLU 27 HA GLU 27 -4.188 -12.905 -12.918 178 1HB GLU 27 2HB GLU 27 -5.299 -12.881 -15.634 179 2HB GLU 27 3HB GLU 27 -6.103 -11.654 -14.673 180 1HG GLU 27 2HG GLU 27 -4.241 -10.357 -14.534 181 2HG GLU 27 3HG GLU 27 -3.157 -11.763 -14.322 182 H MET 28 H MET 28 -7.544 -13.697 -13.952 183 HA MET 28 HA MET 28 -8.744 -12.182 -11.826 184 1HB MET 28 2HB MET 28 -9.828 -13.085 -13.960 185 2HB MET 28 3HB MET 28 -9.881 -14.664 -13.165 186 1HG MET 28 2HG MET 28 -11.280 -13.734 -11.375 187 2HG MET 28 3HG MET 28 -11.145 -12.119 -12.076 188 1HE MET 28 1HE MET 28 -13.735 -13.854 -11.237 189 2HE MET 28 2HE MET 28 -13.911 -12.191 -11.839 190 3HE MET 28 3HE MET 28 -14.874 -13.505 -12.556 191 H LYS 29 H LYS 29 -6.986 -15.083 -11.724 192 HA LYS 29 HA LYS 29 -8.325 -16.047 -9.264 193 1HB LYS 29 2HB LYS 29 -7.616 -17.557 -11.259 194 2HB LYS 29 3HB LYS 29 -5.983 -17.391 -10.628 195 1HG LYS 29 2HG LYS 29 -8.175 -18.071 -8.658 196 2HG LYS 29 3HG LYS 29 -7.801 -19.283 -9.874 197 1HD LYS 29 2HD LYS 29 -5.259 -18.764 -9.085 198 2HD LYS 29 3HD LYS 29 -6.100 -18.178 -7.642 199 1HE LYS 29 2HE LYS 29 -7.396 -20.541 -8.044 200 2HE LYS 29 3HE LYS 29 -5.855 -20.941 -8.792 201 1HZ LYS 29 1HZ LYS 29 -4.770 -20.798 -6.774 202 2HZ LYS 29 2HZ LYS 29 -5.728 -19.621 -6.196 203 3HZ LYS 29 3HZ LYS 29 -6.260 -21.171 -6.176 204 H CYS 30 H CYS 30 -4.931 -15.497 -10.245 205 HA CYS 30 HA CYS 30 -3.648 -15.345 -7.816 206 1HB CYS 30 2HB CYS 30 -3.289 -13.906 -10.431 207 2HB CYS 30 3HB CYS 30 -2.232 -13.597 -9.069 208 H ASP 31 H ASP 31 -5.827 -13.007 -9.393 209 HA ASP 31 HA ASP 31 -5.337 -10.752 -7.768 210 1HB ASP 31 2HB ASP 31 -6.996 -11.217 -9.881 211 2HB ASP 31 3HB ASP 31 -8.156 -11.504 -8.641 212 H THR 32 H THR 32 -7.888 -13.221 -7.433 213 HA THR 32 HA THR 32 -8.563 -12.352 -4.704 214 HB THR 32 HB THR 32 -9.464 -14.488 -6.630 215 HG1 THR 32 1HG THR 32 -10.275 -12.287 -6.327 216 1HG2 THR 32 1HG2 THR 32 -11.166 -15.117 -4.708 217 2HG2 THR 32 2HG2 THR 32 -9.575 -15.926 -4.814 218 3HG2 THR 32 3HG2 THR 32 -9.855 -14.619 -3.630 219 H ASP 33 H ASP 33 -6.232 -14.575 -6.088 220 HA ASP 33 HA ASP 33 -5.850 -16.321 -3.899 221 1HB ASP 33 2HB ASP 33 -4.754 -16.681 -6.067 222 2HB ASP 33 3HB ASP 33 -3.878 -15.152 -5.867 223 H CYS 34 H CYS 34 -3.677 -13.609 -4.690 224 HA CYS 34 HA CYS 34 -2.961 -13.367 -1.853 225 1HB CYS 34 2HB CYS 34 -1.375 -13.299 -3.959 226 2HB CYS 34 3HB CYS 34 -1.862 -11.606 -4.035 227 H SER 35 H SER 35 -5.519 -12.781 -2.153 228 HA SER 35 HA SER 35 -5.679 -10.063 -1.210 229 1HB SER 35 2HB SER 35 -5.639 -9.870 -3.738 230 2HB SER 35 3HB SER 35 -7.338 -10.387 -3.699 231 HG SER 35 HG SER 35 -7.212 -8.602 -1.826 232 H VAL 36 H VAL 36 -7.159 -10.610 0.490 233 HA VAL 36 HA VAL 36 -9.169 -12.614 0.161 234 HB VAL 36 HB VAL 36 -9.126 -10.739 2.475 235 1HG1 VAL 36 1HG1 VAL 36 -10.616 -12.294 3.163 236 2HG1 VAL 36 2HG1 VAL 36 -10.150 -13.450 1.891 237 3HG1 VAL 36 3HG1 VAL 36 -9.243 -13.383 3.400 238 1HG2 VAL 36 1HG2 VAL 36 -6.883 -12.601 1.724 239 2HG2 VAL 36 2HG2 VAL 36 -6.852 -11.002 2.511 240 3HG2 VAL 36 3HG2 VAL 36 -7.303 -12.442 3.434 241 H LYS 37 H LYS 37 -11.364 -11.675 1.427 242 HA LYS 37 HA LYS 37 -12.290 -9.182 0.294 243 1HB LYS 37 2HB LYS 37 -13.971 -10.047 -1.233 244 2HB LYS 37 3HB LYS 37 -12.399 -10.687 -1.696 245 1HG LYS 37 2HG LYS 37 -12.964 -12.816 -0.380 246 2HG LYS 37 3HG LYS 37 -14.588 -12.157 -0.162 247 1HD LYS 37 2HD LYS 37 -14.518 -11.882 -2.792 248 2HD LYS 37 3HD LYS 37 -13.186 -13.041 -2.678 249 1HE LYS 37 2HE LYS 37 -15.205 -14.084 -0.990 250 2HE LYS 37 3HE LYS 37 -16.110 -13.409 -2.337 251 1HZ LYS 37 1HZ LYS 37 -14.840 -14.744 -3.843 252 2HZ LYS 37 2HZ LYS 37 -13.806 -15.227 -2.667 253 3HZ LYS 37 3HZ LYS 37 -15.366 -15.756 -2.649 254 H ASP 38 H ASP 38 -15.082 -9.765 0.447 255 HA ASP 38 HA ASP 38 -15.605 -10.945 3.053 256 1HB ASP 38 2HB ASP 38 -14.844 -8.336 3.175 257 2HB ASP 38 3HB ASP 38 -16.505 -8.090 2.666 258 H VAL 39 H VAL 39 -17.854 -11.268 3.281 259 HA VAL 39 HA VAL 39 -19.796 -10.329 1.372 260 HB VAL 39 HB VAL 39 -18.789 -13.169 1.224 261 1HG1 VAL 39 1HG1 VAL 39 -20.910 -13.896 1.137 262 2HG1 VAL 39 2HG1 VAL 39 -21.593 -12.271 0.934 263 3HG1 VAL 39 3HG1 VAL 39 -21.004 -13.168 -0.476 264 1HG2 VAL 39 1HG2 VAL 39 -19.109 -10.897 -0.717 265 2HG2 VAL 39 2HG2 VAL 39 -17.732 -11.999 -0.469 266 3HG2 VAL 39 3HG2 VAL 39 -19.164 -12.556 -1.346 267 H LYS 40 H LYS 40 -20.313 -9.530 3.518 268 HA LYS 40 HA LYS 40 -21.033 -11.046 5.711 269 1HB LYS 40 2HB LYS 40 -22.276 -8.537 4.529 270 2HB LYS 40 3HB LYS 40 -22.903 -9.246 6.018 271 1HG LYS 40 2HG LYS 40 -20.674 -9.137 7.051 272 2HG LYS 40 3HG LYS 40 -20.005 -8.397 5.595 273 1HD LYS 40 2HD LYS 40 -20.856 -6.361 6.040 274 2HD LYS 40 3HD LYS 40 -22.405 -6.981 6.603 275 1HE LYS 40 2HE LYS 40 -21.843 -6.909 8.753 276 2HE LYS 40 3HE LYS 40 -20.297 -7.710 8.485 277 1HZ LYS 40 1HZ LYS 40 -20.238 -5.309 9.299 278 2HZ LYS 40 2HZ LYS 40 -19.256 -5.702 8.039 279 3HZ LYS 40 3HZ LYS 40 -20.652 -4.884 7.767 280 H GLU 41 H GLU 41 -22.804 -12.174 6.411 281 HA GLU 41 HA GLU 41 -24.831 -12.993 4.361 282 1HB GLU 41 2HB GLU 41 -22.974 -14.593 6.065 283 2HB GLU 41 3HB GLU 41 -24.606 -15.205 5.915 284 1HG GLU 41 2HG GLU 41 -23.258 -14.316 3.375 285 2HG GLU 41 3HG GLU 41 -22.698 -15.807 4.127 286 H LYS 42 H LYS 42 -25.145 -10.846 6.106 287 HA LYS 42 HA LYS 42 -27.499 -11.847 7.618 288 1HB LYS 42 2HB LYS 42 -25.565 -11.787 9.212 289 2HB LYS 42 3HB LYS 42 -25.405 -10.056 8.921 290 1HG LYS 42 2HG LYS 42 -27.473 -9.546 9.943 291 2HG LYS 42 3HG LYS 42 -28.107 -11.186 9.715 292 1HD LYS 42 2HD LYS 42 -26.533 -12.066 11.374 293 2HD LYS 42 3HD LYS 42 -25.828 -10.454 11.581 294 1HE LYS 42 2HE LYS 42 -28.658 -10.166 11.906 295 2HE LYS 42 3HE LYS 42 -28.227 -11.641 12.762 296 1HZ LYS 42 1HZ LYS 42 -26.333 -10.121 13.678 297 2HZ LYS 42 2HZ LYS 42 -27.344 -8.894 13.268 298 3HZ LYS 42 3HZ LYS 42 -27.827 -10.029 14.355 299 H LEU 43 H LEU 43 -28.301 -10.979 5.593 300 HA LEU 43 HA LEU 43 -28.231 -8.387 4.715 301 1HB LEU 43 2HB LEU 43 -30.388 -8.733 3.713 302 2HB LEU 43 3HB LEU 43 -29.488 -10.224 3.647 303 HG LEU 43 HG LEU 43 -30.824 -10.661 5.969 304 1HD1 LEU 43 1HD1 LEU 43 -32.839 -9.581 6.227 305 2HD1 LEU 43 2HD1 LEU 43 -31.988 -8.271 5.416 306 3HD1 LEU 43 3HD1 LEU 43 -33.056 -9.306 4.479 307 1HD2 LEU 43 1HD2 LEU 43 -32.297 -12.083 4.786 308 2HD2 LEU 43 2HD2 LEU 43 -32.221 -11.080 3.313 309 3HD2 LEU 43 3HD2 LEU 43 -30.812 -12.025 3.828 310 H GLU 44 H GLU 44 -29.654 -6.510 5.013 311 HA GLU 44 HA GLU 44 -30.805 -6.337 7.732 312 1HB GLU 44 2HB GLU 44 -28.292 -5.496 7.498 313 2HB GLU 44 3HB GLU 44 -29.070 -4.100 6.746 314 1HG GLU 44 2HG GLU 44 -30.673 -4.491 8.984 315 2HG GLU 44 3HG GLU 44 -29.126 -5.086 9.575 316 H ASN 45 H ASN 45 -32.742 -5.468 7.662 317 HA ASN 45 HA ASN 45 -33.346 -3.337 5.797 318 1HB ASN 45 2HB ASN 45 -34.270 -6.161 5.381 319 2HB ASN 45 3HB ASN 45 -35.571 -4.984 5.371 320 1HD2 ASN 45 1HD2 ASN 45 -34.417 -6.625 3.222 321 2HD2 ASN 45 2HD2 ASN 45 -34.004 -5.419 1.982 322 H TYR 46 H TYR 46 -35.411 -2.388 6.270 323 HA TYR 46 HA TYR 46 -37.082 -3.159 8.472 324 1HB TYR 46 2HB TYR 46 -35.323 -2.706 9.968 325 2HB TYR 46 3HB TYR 46 -34.679 -1.396 8.980 326 HD1 TYR 46 HD1 TYR 46 -37.321 -2.344 11.394 327 HD2 TYR 46 HD2 TYR 46 -35.474 0.847 9.190 328 HE1 TYR 46 HE1 TYR 46 -38.504 -0.684 12.823 329 HE2 TYR 46 HE2 TYR 46 -36.677 2.525 10.595 330 HH TYR 46 HH TYR 46 -38.351 1.589 13.484 331 H LYS 47 H LYS 47 -38.938 -2.338 7.752 332 HA LYS 47 HA LYS 47 -38.926 0.486 6.859 333 1HB LYS 47 2HB LYS 47 -39.626 -1.829 5.231 334 2HB LYS 47 3HB LYS 47 -41.065 -0.888 5.519 335 1HG LYS 47 2HG LYS 47 -40.270 0.198 3.644 336 2HG LYS 47 3HG LYS 47 -39.477 1.191 4.866 337 1HD LYS 47 2HD LYS 47 -37.400 0.221 4.595 338 2HD LYS 47 3HD LYS 47 -38.026 -1.219 3.767 339 1HE LYS 47 2HE LYS 47 -38.434 -0.100 1.773 340 2HE LYS 47 3HE LYS 47 -38.497 1.489 2.531 341 1HZ LYS 47 1HZ LYS 47 -36.411 1.177 1.330 342 2HZ LYS 47 2HZ LYS 47 -36.121 1.338 2.942 343 3HZ LYS 47 3HZ LYS 47 -36.039 -0.142 2.246 344 HA PRO 48 HA PRO 48 -42.137 1.106 9.676 345 1HB PRO 48 2HB PRO 48 -43.700 3.052 8.398 346 2HB PRO 48 3HB PRO 48 -42.155 3.340 9.227 347 1HG PRO 48 2HG PRO 48 -42.742 3.251 6.318 348 2HG PRO 48 3HG PRO 48 -41.398 4.041 7.181 349 1HD PRO 48 2HD PRO 48 -41.406 1.556 5.795 350 2HD PRO 48 3HD PRO 48 -40.061 2.282 6.736 351 H LYS 49 H LYS 49 -44.784 1.664 9.366 352 HA LYS 49 HA LYS 49 -45.865 -0.830 8.120 353 1HB LYS 49 2HB LYS 49 -47.643 -0.686 9.793 354 2HB LYS 49 3HB LYS 49 -46.059 -0.897 10.528 355 1HG LYS 49 2HG LYS 49 -46.202 1.038 11.713 356 2HG LYS 49 3HG LYS 49 -46.631 1.967 10.299 357 1HD LYS 49 2HD LYS 49 -48.988 0.798 10.579 358 2HD LYS 49 3HD LYS 49 -48.455 0.611 12.262 359 1HE LYS 49 2HE LYS 49 -48.483 2.927 12.625 360 2HE LYS 49 3HE LYS 49 -48.058 3.279 10.949 361 1HZ LYS 49 1HZ LYS 49 -50.395 2.264 10.491 362 2HZ LYS 49 2HZ LYS 49 -50.715 2.781 12.027 363 3HZ LYS 49 3HZ LYS 49 -50.230 3.833 10.846 364 H ASN 50 H ASN 50 -47.673 -0.693 6.890 365 HA ASN 50 HA ASN 50 -48.284 1.956 5.729 366 1HB ASN 50 2HB ASN 50 -49.266 -0.780 4.832 367 2HB ASN 50 3HB ASN 50 -49.234 0.717 3.895 368 1HD2 ASN 50 1HD2 ASN 50 -48.135 -1.989 3.412 369 2HD2 ASN 50 2HD2 ASN 50 -46.411 -1.706 3.109 Start of MODEL 4 1 1H ASP 1 H1 ASP 1 0.789 0.920 0.064 2 2H ASP 1 H2 ASP 1 1.941 -0.024 0.814 3 3H ASP 1 H3 ASP 1 0.689 -0.751 0.081 4 HA ASP 1 HA ASP 1 3.126 -0.086 -1.030 5 1HB ASP 1 2HB ASP 1 0.657 -0.940 -2.589 6 2HB ASP 1 3HB ASP 1 2.355 -1.258 -2.967 7 H GLU 2 H GLU 2 3.514 1.092 -3.012 8 HA GLU 2 HA GLU 2 1.624 3.332 -3.571 9 1HB GLU 2 2HB GLU 2 3.967 4.556 -3.921 10 2HB GLU 2 3HB GLU 2 3.090 4.617 -2.413 11 1HG GLU 2 2HG GLU 2 5.270 2.553 -3.014 12 2HG GLU 2 3HG GLU 2 5.604 4.113 -2.273 13 H ALA 3 H ALA 3 1.105 3.216 -5.594 14 HA ALA 3 HA ALA 3 2.674 3.408 -7.862 15 1HB ALA 3 1HB ALA 3 2.414 0.514 -6.997 16 2HB ALA 3 2HB ALA 3 2.477 0.909 -8.735 17 3HB ALA 3 3HB ALA 3 3.808 1.359 -7.695 18 H GLN 4 H GLN 4 0.448 0.721 -8.029 19 HA GLN 4 HA GLN 4 -1.298 1.822 -9.907 20 1HB GLN 4 2HB GLN 4 -1.693 -0.329 -7.787 21 2HB GLN 4 3HB GLN 4 -2.926 0.039 -8.989 22 1HG GLN 4 2HG GLN 4 -1.877 -1.112 -10.611 23 2HG GLN 4 3HG GLN 4 -0.335 -0.316 -10.312 24 1HE2 GLN 4 1HE2 GLN 4 1.181 -1.261 -8.720 25 2HE2 GLN 4 2HE2 GLN 4 0.857 -2.920 -8.208 26 H PHE 5 H PHE 5 -1.262 2.251 -6.493 27 HA PHE 5 HA PHE 5 -3.833 3.663 -6.330 28 1HB PHE 5 2HB PHE 5 -2.764 2.166 -4.511 29 2HB PHE 5 3HB PHE 5 -1.577 3.443 -4.282 30 HD1 PHE 5 HD1 PHE 5 -4.834 2.233 -3.427 31 HD2 PHE 5 HD2 PHE 5 -2.494 5.878 -3.684 32 HE1 PHE 5 HE1 PHE 5 -6.348 3.360 -1.845 33 HE2 PHE 5 HE2 PHE 5 -4.063 6.969 -2.128 34 HZ PHE 5 HZ PHE 5 -6.034 5.754 -1.271 35 H LYS 6 H LYS 6 -0.389 4.452 -6.211 36 HA LYS 6 HA LYS 6 -0.757 7.286 -5.674 37 1HB LYS 6 2HB LYS 6 1.457 5.628 -5.661 38 2HB LYS 6 3HB LYS 6 1.657 6.440 -7.224 39 1HG LYS 6 2HG LYS 6 1.320 8.655 -5.958 40 2HG LYS 6 3HG LYS 6 1.351 7.692 -4.461 41 1HD LYS 6 2HD LYS 6 3.633 6.788 -5.300 42 2HD LYS 6 3HD LYS 6 3.554 8.093 -6.516 43 1HE LYS 6 2HE LYS 6 3.223 9.729 -4.604 44 2HE LYS 6 3HE LYS 6 3.507 8.396 -3.471 45 1HZ LYS 6 1HZ LYS 6 5.531 9.705 -3.983 46 2HZ LYS 6 2HZ LYS 6 5.715 8.125 -4.397 47 3HZ LYS 6 3HZ LYS 6 5.425 9.257 -5.563 48 H GLU 7 H GLU 7 -0.898 5.339 -8.529 49 HA GLU 7 HA GLU 7 -0.952 7.620 -10.325 50 1HB GLU 7 2HB GLU 7 -0.684 4.735 -10.607 51 2HB GLU 7 3HB GLU 7 -2.060 5.249 -11.557 52 1HG GLU 7 2HG GLU 7 0.419 6.935 -11.821 53 2HG GLU 7 3HG GLU 7 0.532 5.287 -12.421 54 H CYS 8 H CYS 8 -3.329 5.616 -8.649 55 HA CYS 8 HA CYS 8 -5.576 6.744 -10.141 56 1HB CYS 8 2HB CYS 8 -5.226 4.520 -8.562 57 2HB CYS 8 3HB CYS 8 -5.895 5.623 -7.395 58 H TYR 9 H TYR 9 -3.979 7.315 -6.985 59 HA TYR 9 HA TYR 9 -5.679 9.391 -6.107 60 1HB TYR 9 2HB TYR 9 -3.803 8.054 -4.911 61 2HB TYR 9 3HB TYR 9 -2.667 9.171 -5.620 62 HD1 TYR 9 HD1 TYR 9 -2.846 11.676 -5.022 63 HD2 TYR 9 HD2 TYR 9 -5.120 8.584 -3.042 64 HE1 TYR 9 HE1 TYR 9 -3.167 13.154 -3.061 65 HE2 TYR 9 HE2 TYR 9 -5.299 10.042 -1.045 66 HH TYR 9 HH TYR 9 -5.488 12.484 -0.632 67 H ASP 10 H ASP 10 -2.558 9.631 -7.832 68 HA ASP 10 HA ASP 10 -2.553 12.475 -8.044 69 1HB ASP 10 2HB ASP 10 -0.674 10.653 -8.503 70 2HB ASP 10 3HB ASP 10 -1.271 10.677 -10.151 71 H THR 11 H THR 11 -3.430 9.962 -10.417 72 HA THR 11 HA THR 11 -4.387 11.689 -12.436 73 HB THR 11 HB THR 11 -5.121 8.784 -11.922 74 HG1 THR 11 1HG THR 11 -3.064 8.703 -12.460 75 1HG2 THR 11 1HG2 THR 11 -5.602 10.623 -14.246 76 2HG2 THR 11 2HG2 THR 11 -5.134 8.938 -14.550 77 3HG2 THR 11 3HG2 THR 11 -6.602 9.278 -13.618 78 H CYS 12 H CYS 12 -6.146 10.014 -9.795 79 HA CYS 12 HA CYS 12 -8.757 10.905 -10.474 80 1HB CYS 12 2HB CYS 12 -8.352 9.151 -8.787 81 2HB CYS 12 3HB CYS 12 -7.635 10.355 -7.704 82 H HIS 13 H HIS 13 -6.138 12.393 -8.472 83 HA HIS 13 HA HIS 13 -7.511 14.740 -7.732 84 1HB HIS 13 2HB HIS 13 -5.067 13.866 -7.170 85 2HB HIS 13 3HB HIS 13 -4.636 14.916 -8.496 86 HD1 HIS 13 HD1 HIS 13 -4.304 17.347 -7.818 87 HD2 HIS 13 HD2 HIS 13 -6.540 15.060 -5.081 88 HE1 HIS 13 HE1 HIS 13 -4.711 18.883 -5.744 89 HE2 HIS 13 HE2 HIS 13 -6.121 17.439 -4.071 90 H LYS 14 H LYS 14 -5.828 14.039 -10.737 91 HA LYS 14 HA LYS 14 -6.120 16.603 -11.987 92 1HB LYS 14 2HB LYS 14 -5.334 13.883 -12.775 93 2HB LYS 14 3HB LYS 14 -6.311 14.618 -14.029 94 1HG LYS 14 2HG LYS 14 -4.034 16.164 -12.737 95 2HG LYS 14 3HG LYS 14 -3.693 14.891 -13.904 96 1HD LYS 14 2HD LYS 14 -3.836 16.603 -15.366 97 2HD LYS 14 3HD LYS 14 -5.535 16.150 -15.394 98 1HE LYS 14 2HE LYS 14 -6.219 18.099 -14.423 99 2HE LYS 14 3HE LYS 14 -4.958 18.008 -13.191 100 1HZ LYS 14 1HZ LYS 14 -4.400 19.881 -14.498 101 2HZ LYS 14 2HZ LYS 14 -3.379 18.698 -15.012 102 3HZ LYS 14 3HZ LYS 14 -4.698 19.102 -15.918 103 H GLU 15 H GLU 15 -8.228 13.743 -12.432 104 HA GLU 15 HA GLU 15 -10.361 15.336 -13.658 105 1HB GLU 15 2HB GLU 15 -9.852 12.774 -13.871 106 2HB GLU 15 3HB GLU 15 -10.701 12.645 -12.330 107 1HG GLU 15 2HG GLU 15 -12.401 14.286 -13.897 108 2HG GLU 15 3HG GLU 15 -11.689 13.225 -15.086 109 H CYS 16 H CYS 16 -9.364 14.928 -10.444 110 HA CYS 16 HA CYS 16 -11.873 15.361 -9.201 111 1HB CYS 16 2HB CYS 16 -9.977 14.254 -8.070 112 2HB CYS 16 3HB CYS 16 -9.161 15.808 -7.975 113 H SER 17 H SER 17 -8.952 17.419 -9.313 114 HA SER 17 HA SER 17 -10.110 19.876 -8.515 115 1HB SER 17 2HB SER 17 -7.582 19.070 -9.426 116 2HB SER 17 3HB SER 17 -8.132 20.229 -10.631 117 HG SER 17 HG SER 17 -8.703 21.581 -8.754 118 H ASP 18 H ASP 18 -10.369 18.211 -11.590 119 HA ASP 18 HA ASP 18 -11.310 20.230 -13.362 120 1HB ASP 18 2HB ASP 18 -10.892 18.095 -14.288 121 2HB ASP 18 3HB ASP 18 -11.811 17.302 -13.036 122 H LYS 19 H LYS 19 -13.045 18.445 -10.748 123 HA LYS 19 HA LYS 19 -15.561 19.479 -11.341 124 1HB LYS 19 2HB LYS 19 -14.277 17.935 -9.187 125 2HB LYS 19 3HB LYS 19 -15.321 19.097 -8.509 126 1HG LYS 19 2HG LYS 19 -16.500 17.672 -10.858 127 2HG LYS 19 3HG LYS 19 -15.874 16.553 -9.668 128 1HD LYS 19 2HD LYS 19 -17.414 18.720 -8.375 129 2HD LYS 19 3HD LYS 19 -18.347 17.915 -9.642 130 1HE LYS 19 2HE LYS 19 -17.944 15.739 -8.680 131 2HE LYS 19 3HE LYS 19 -16.813 16.397 -7.490 132 1HZ LYS 19 1HZ LYS 19 -18.509 17.149 -6.218 133 2HZ LYS 19 2HZ LYS 19 -19.405 17.663 -7.498 134 3HZ LYS 19 3HZ LYS 19 -19.462 16.077 -7.051 135 H GLY 20 H GLY 20 -12.915 21.155 -10.398 136 1HA GLY 20 2HA GLY 20 -12.572 23.401 -10.069 137 2HA GLY 20 3HA GLY 20 -14.324 23.653 -9.982 138 H ASN 21 H ASN 21 -13.158 21.188 -7.945 139 HA ASN 21 HA ASN 21 -13.773 22.660 -5.495 140 1HB ASN 21 2HB ASN 21 -13.158 20.415 -4.473 141 2HB ASN 21 3HB ASN 21 -14.565 20.389 -5.508 142 1HD2 ASN 21 1HD2 ASN 21 -13.902 17.947 -5.331 143 2HD2 ASN 21 2HD2 ASN 21 -12.755 17.541 -6.634 144 H GLY 22 H GLY 22 -12.165 22.036 -3.700 145 1HA GLY 22 2HA GLY 22 -9.599 23.367 -4.358 146 2HA GLY 22 3HA GLY 22 -10.188 22.969 -2.732 147 H PHE 23 H PHE 23 -7.572 22.495 -3.788 148 HA PHE 23 HA PHE 23 -7.013 19.908 -4.597 149 1HB PHE 23 2HB PHE 23 -5.270 21.482 -2.658 150 2HB PHE 23 3HB PHE 23 -4.781 20.335 -3.884 151 HD1 PHE 23 HD1 PHE 23 -5.688 23.769 -3.101 152 HD2 PHE 23 HD2 PHE 23 -4.968 21.000 -6.348 153 HE1 PHE 23 HE1 PHE 23 -5.427 25.664 -4.669 154 HE2 PHE 23 HE2 PHE 23 -4.682 22.896 -7.898 155 HZ PHE 23 HZ PHE 23 -4.903 25.235 -7.064 156 H THR 24 H THR 24 -6.744 21.103 -1.246 157 HA THR 24 HA THR 24 -6.252 18.763 0.132 158 HB THR 24 HB THR 24 -7.482 21.391 0.790 159 HG1 THR 24 1HG THR 24 -5.698 21.448 1.955 160 1HG2 THR 24 1HG2 THR 24 -7.808 20.573 3.238 161 2HG2 THR 24 2HG2 THR 24 -9.108 20.311 2.082 162 3HG2 THR 24 3HG2 THR 24 -8.035 18.970 2.529 163 H PHE 25 H PHE 25 -9.540 20.103 -0.343 164 HA PHE 25 HA PHE 25 -10.974 17.856 0.608 165 1HB PHE 25 2HB PHE 25 -12.050 19.992 0.175 166 2HB PHE 25 3HB PHE 25 -11.561 19.952 -1.522 167 HD1 PHE 25 HD1 PHE 25 -12.798 18.738 -3.193 168 HD2 PHE 25 HD2 PHE 25 -13.779 18.302 0.992 169 HE1 PHE 25 HE1 PHE 25 -14.957 17.658 -3.799 170 HE2 PHE 25 HE2 PHE 25 -15.900 17.186 0.376 171 HZ PHE 25 HZ PHE 25 -16.498 16.869 -2.021 172 H CYS 26 H CYS 26 -9.613 18.519 -2.689 173 HA CYS 26 HA CYS 26 -10.745 16.246 -3.870 174 1HB CYS 26 2HB CYS 26 -8.687 18.276 -4.538 175 2HB CYS 26 3HB CYS 26 -8.347 16.673 -5.142 176 H GLU 27 H GLU 27 -7.869 16.712 -1.858 177 HA GLU 27 HA GLU 27 -6.620 14.208 -2.469 178 1HB GLU 27 2HB GLU 27 -6.097 16.548 -0.750 179 2HB GLU 27 3HB GLU 27 -5.931 15.059 0.142 180 1HG GLU 27 2HG GLU 27 -4.589 14.500 -2.211 181 2HG GLU 27 3HG GLU 27 -4.362 16.202 -2.125 182 H MET 28 H MET 28 -8.195 15.301 0.559 183 HA MET 28 HA MET 28 -8.504 12.798 1.757 184 1HB MET 28 2HB MET 28 -9.533 15.466 2.174 185 2HB MET 28 3HB MET 28 -10.922 14.386 2.169 186 1HG MET 28 2HG MET 28 -9.464 12.915 3.790 187 2HG MET 28 3HG MET 28 -8.565 14.426 4.028 188 1HE MET 28 1HE MET 28 -10.866 13.959 7.214 189 2HE MET 28 2HE MET 28 -9.797 12.879 6.283 190 3HE MET 28 3HE MET 28 -9.251 14.522 6.709 191 H LYS 29 H LYS 29 -10.283 14.065 -0.907 192 HA LYS 29 HA LYS 29 -12.351 11.986 -0.819 193 1HB LYS 29 2HB LYS 29 -12.675 14.436 -1.623 194 2HB LYS 29 3HB LYS 29 -11.925 13.918 -3.121 195 1HG LYS 29 2HG LYS 29 -14.231 12.388 -1.815 196 2HG LYS 29 3HG LYS 29 -14.543 13.835 -2.774 197 1HD LYS 29 2HD LYS 29 -13.338 12.769 -4.714 198 2HD LYS 29 3HD LYS 29 -13.176 11.286 -3.746 199 1HE LYS 29 2HE LYS 29 -15.642 11.219 -3.477 200 2HE LYS 29 3HE LYS 29 -15.762 12.601 -4.579 201 1HZ LYS 29 1HZ LYS 29 -15.989 10.511 -5.852 202 2HZ LYS 29 2HZ LYS 29 -14.526 11.144 -6.264 203 3HZ LYS 29 3HZ LYS 29 -14.568 9.929 -5.270 204 H CYS 30 H CYS 30 -9.897 12.911 -3.271 205 HA CYS 30 HA CYS 30 -9.935 10.642 -4.886 206 1HB CYS 30 2HB CYS 30 -7.677 12.449 -4.021 207 2HB CYS 30 3HB CYS 30 -7.486 11.178 -5.218 208 H ASP 31 H ASP 31 -8.440 11.064 -1.720 209 HA ASP 31 HA ASP 31 -6.889 8.731 -1.501 210 1HB ASP 31 2HB ASP 31 -7.229 10.893 0.082 211 2HB ASP 31 3HB ASP 31 -8.439 9.912 0.851 212 H THR 32 H THR 32 -10.091 9.335 -0.196 213 HA THR 32 HA THR 32 -10.662 6.515 0.215 214 HB THR 32 HB THR 32 -12.115 9.077 0.649 215 HG1 THR 32 1HG THR 32 -11.702 8.470 2.573 216 1HG2 THR 32 1HG2 THR 32 -13.499 6.373 0.570 217 2HG2 THR 32 2HG2 THR 32 -14.161 7.813 1.373 218 3HG2 THR 32 3HG2 THR 32 -13.914 7.818 -0.387 219 H ASP 33 H ASP 33 -11.015 8.620 -2.537 220 HA ASP 33 HA ASP 33 -13.110 7.356 -3.914 221 1HB ASP 33 2HB ASP 33 -12.138 9.521 -4.584 222 2HB ASP 33 3HB ASP 33 -10.620 8.714 -4.991 223 H CYS 34 H CYS 34 -9.660 7.048 -4.634 224 HA CYS 34 HA CYS 34 -10.123 4.358 -5.758 225 1HB CYS 34 2HB CYS 34 -7.733 6.214 -5.709 226 2HB CYS 34 3HB CYS 34 -7.663 4.552 -6.306 227 H SER 35 H SER 35 -10.776 4.260 -3.176 228 HA SER 35 HA SER 35 -8.474 3.255 -1.620 229 1HB SER 35 2HB SER 35 -9.712 3.345 0.331 230 2HB SER 35 3HB SER 35 -9.878 4.870 -0.533 231 HG SER 35 HG SER 35 -11.766 2.728 -0.395 232 H VAL 36 H VAL 36 -8.016 1.351 -2.569 233 HA VAL 36 HA VAL 36 -10.038 -0.584 -3.033 234 HB VAL 36 HB VAL 36 -7.158 -1.338 -2.934 235 1HG1 VAL 36 1HG1 VAL 36 -8.004 -3.193 -3.913 236 2HG1 VAL 36 2HG1 VAL 36 -9.628 -2.482 -4.005 237 3HG1 VAL 36 3HG1 VAL 36 -8.490 -2.235 -5.315 238 1HG2 VAL 36 1HG2 VAL 36 -8.370 0.595 -4.904 239 2HG2 VAL 36 2HG2 VAL 36 -6.784 0.607 -4.116 240 3HG2 VAL 36 3HG2 VAL 36 -7.097 -0.519 -5.437 241 H LYS 37 H LYS 37 -9.092 -2.911 -2.115 242 HA LYS 37 HA LYS 37 -9.842 -2.816 0.706 243 1HB LYS 37 2HB LYS 37 -10.093 -4.777 -1.252 244 2HB LYS 37 3HB LYS 37 -8.782 -5.434 -0.274 245 1HG LYS 37 2HG LYS 37 -11.460 -4.428 0.781 246 2HG LYS 37 3HG LYS 37 -11.056 -6.127 0.496 247 1HD LYS 37 2HD LYS 37 -9.308 -6.070 2.221 248 2HD LYS 37 3HD LYS 37 -9.490 -4.325 2.422 249 1HE LYS 37 2HE LYS 37 -10.736 -4.982 4.183 250 2HE LYS 37 3HE LYS 37 -11.983 -4.815 2.938 251 1HZ LYS 37 1HZ LYS 37 -10.681 -7.325 3.832 252 2HZ LYS 37 2HZ LYS 37 -12.262 -6.918 4.056 253 3HZ LYS 37 3HZ LYS 37 -11.698 -7.253 2.540 254 H ASP 38 H ASP 38 -8.314 -1.498 1.610 255 HA ASP 38 HA ASP 38 -5.505 -2.285 1.644 256 1HB ASP 38 2HB ASP 38 -6.946 0.140 2.091 257 2HB ASP 38 3HB ASP 38 -6.304 -0.315 3.669 258 H VAL 39 H VAL 39 -4.482 -3.266 3.257 259 HA VAL 39 HA VAL 39 -5.609 -3.708 5.921 260 HB VAL 39 HB VAL 39 -5.422 -5.982 3.925 261 1HG1 VAL 39 1HG1 VAL 39 -4.939 -6.088 6.876 262 2HG1 VAL 39 2HG1 VAL 39 -6.066 -7.305 6.255 263 3HG1 VAL 39 3HG1 VAL 39 -4.449 -7.188 5.579 264 1HG2 VAL 39 1HG2 VAL 39 -7.619 -5.182 3.958 265 2HG2 VAL 39 2HG2 VAL 39 -7.701 -6.544 5.064 266 3HG2 VAL 39 3HG2 VAL 39 -7.613 -4.893 5.711 267 H LYS 40 H LYS 40 -3.757 -2.412 6.211 268 HA LYS 40 HA LYS 40 -1.122 -2.927 5.647 269 1HB LYS 40 2HB LYS 40 -0.546 -1.998 7.880 270 2HB LYS 40 3HB LYS 40 -1.641 -0.990 6.945 271 1HG LYS 40 2HG LYS 40 -3.415 -1.260 8.391 272 2HG LYS 40 3HG LYS 40 -3.052 -2.917 8.755 273 1HD LYS 40 2HD LYS 40 -2.442 -2.211 10.770 274 2HD LYS 40 3HD LYS 40 -0.916 -1.791 10.007 275 1HE LYS 40 2HE LYS 40 -2.729 0.357 9.453 276 2HE LYS 40 3HE LYS 40 -3.011 -0.070 11.144 277 1HZ LYS 40 1HZ LYS 40 -0.891 0.578 11.706 278 2HZ LYS 40 2HZ LYS 40 -0.243 0.178 10.243 279 3HZ LYS 40 3HZ LYS 40 -1.086 1.579 10.404 280 H GLU 41 H GLU 41 0.234 -4.530 5.847 281 HA GLU 41 HA GLU 41 -0.561 -6.931 7.296 282 1HB GLU 41 2HB GLU 41 1.269 -6.211 5.155 283 2HB GLU 41 3HB GLU 41 2.170 -7.089 6.368 284 1HG GLU 41 2HG GLU 41 -0.545 -8.048 5.341 285 2HG GLU 41 3HG GLU 41 0.947 -8.442 4.495 286 H LYS 42 H LYS 42 1.445 -8.083 8.431 287 HA LYS 42 HA LYS 42 1.985 -6.319 10.763 288 1HB LYS 42 2HB LYS 42 1.106 -8.992 10.602 289 2HB LYS 42 3HB LYS 42 2.817 -9.147 10.961 290 1HG LYS 42 2HG LYS 42 2.138 -7.130 12.715 291 2HG LYS 42 3HG LYS 42 0.582 -7.934 12.550 292 1HD LYS 42 2HD LYS 42 1.265 -9.425 14.065 293 2HD LYS 42 3HD LYS 42 2.432 -10.065 12.908 294 1HE LYS 42 2HE LYS 42 4.227 -9.001 13.824 295 2HE LYS 42 3HE LYS 42 3.315 -7.559 14.270 296 1HZ LYS 42 1HZ LYS 42 2.441 -8.618 16.153 297 2HZ LYS 42 2HZ LYS 42 2.923 -10.120 15.669 298 3HZ LYS 42 3HZ LYS 42 4.044 -9.024 16.174 299 H LEU 43 H LEU 43 3.396 -5.078 9.500 300 HA LEU 43 HA LEU 43 5.742 -5.797 8.237 301 1HB LEU 43 2HB LEU 43 4.818 -3.433 9.720 302 2HB LEU 43 3HB LEU 43 6.554 -3.639 9.929 303 HG LEU 43 HG LEU 43 5.291 -3.723 7.181 304 1HD1 LEU 43 1HD1 LEU 43 5.476 -1.418 8.942 305 2HD1 LEU 43 2HD1 LEU 43 6.556 -1.186 7.568 306 3HD1 LEU 43 3HD1 LEU 43 4.852 -1.536 7.286 307 1HD2 LEU 43 1HD2 LEU 43 7.774 -4.501 7.777 308 2HD2 LEU 43 2HD2 LEU 43 7.450 -3.536 6.338 309 3HD2 LEU 43 3HD2 LEU 43 8.102 -2.775 7.806 310 H GLU 44 H GLU 44 7.849 -6.352 8.758 311 HA GLU 44 HA GLU 44 8.381 -7.149 11.548 312 1HB GLU 44 2HB GLU 44 7.577 -9.036 9.722 313 2HB GLU 44 3HB GLU 44 9.319 -8.988 9.398 314 1HG GLU 44 2HG GLU 44 9.645 -9.196 11.952 315 2HG GLU 44 3HG GLU 44 7.907 -9.482 12.060 316 H ASN 45 H ASN 45 10.657 -7.561 11.887 317 HA ASN 45 HA ASN 45 12.746 -6.954 10.238 318 1HB ASN 45 2HB ASN 45 11.297 -4.500 10.973 319 2HB ASN 45 3HB ASN 45 12.857 -4.472 11.735 320 1HD2 ASN 45 1HD2 ASN 45 13.439 -2.697 10.433 321 2HD2 ASN 45 2HD2 ASN 45 13.871 -3.030 8.741 322 H TYR 46 H TYR 46 14.607 -5.888 11.725 323 HA TYR 46 HA TYR 46 14.542 -6.915 14.465 324 1HB TYR 46 2HB TYR 46 16.327 -8.488 14.109 325 2HB TYR 46 3HB TYR 46 15.051 -8.870 12.977 326 HD1 TYR 46 HD1 TYR 46 18.509 -8.540 13.286 327 HD2 TYR 46 HD2 TYR 46 15.312 -7.580 10.514 328 HE1 TYR 46 HE1 TYR 46 20.105 -8.508 11.389 329 HE2 TYR 46 HE2 TYR 46 16.940 -7.354 8.709 330 HH TYR 46 HH TYR 46 20.181 -8.540 8.940 331 H LYS 47 H LYS 47 17.072 -6.820 15.067 332 HA LYS 47 HA LYS 47 18.066 -4.062 14.408 333 1HB LYS 47 2HB LYS 47 18.903 -3.828 16.591 334 2HB LYS 47 3HB LYS 47 17.204 -4.251 16.652 335 1HG LYS 47 2HG LYS 47 17.689 -5.918 18.097 336 2HG LYS 47 3HG LYS 47 18.512 -6.764 16.802 337 1HD LYS 47 2HD LYS 47 20.567 -5.233 17.366 338 2HD LYS 47 3HD LYS 47 19.669 -4.847 18.849 339 1HE LYS 47 2HE LYS 47 19.492 -7.444 19.137 340 2HE LYS 47 3HE LYS 47 20.701 -7.524 17.837 341 1HZ LYS 47 1HZ LYS 47 21.959 -5.857 19.344 342 2HZ LYS 47 2HZ LYS 47 20.985 -6.399 20.549 343 3HZ LYS 47 3HZ LYS 47 21.987 -7.452 19.773 344 HA PRO 48 HA PRO 48 21.234 -6.910 12.745 345 1HB PRO 48 2HB PRO 48 22.001 -5.190 10.656 346 2HB PRO 48 3HB PRO 48 20.847 -6.509 10.550 347 1HG PRO 48 2HG PRO 48 20.292 -3.616 10.573 348 2HG PRO 48 3HG PRO 48 19.223 -4.964 10.083 349 1HD PRO 48 2HD PRO 48 19.179 -3.482 12.533 350 2HD PRO 48 3HD PRO 48 18.162 -4.872 12.053 351 H LYS 49 H LYS 49 23.398 -6.769 13.093 352 HA LYS 49 HA LYS 49 24.497 -4.938 14.992 353 1HB LYS 49 2HB LYS 49 25.539 -7.007 13.091 354 2HB LYS 49 3HB LYS 49 26.717 -5.784 13.573 355 1HG LYS 49 2HG LYS 49 26.553 -6.278 15.859 356 2HG LYS 49 3HG LYS 49 25.020 -7.138 15.692 357 1HD LYS 49 2HD LYS 49 26.082 -9.108 15.465 358 2HD LYS 49 3HD LYS 49 26.915 -8.522 14.026 359 1HE LYS 49 2HE LYS 49 28.694 -9.096 15.418 360 2HE LYS 49 3HE LYS 49 28.556 -7.340 15.597 361 1HZ LYS 49 1HZ LYS 49 28.565 -7.915 17.786 362 2HZ LYS 49 2HZ LYS 49 26.956 -8.165 17.551 363 3HZ LYS 49 3HZ LYS 49 27.998 -9.440 17.536 364 H ASN 50 H ASN 50 25.457 -3.061 14.912 365 HA ASN 50 HA ASN 50 25.059 -1.329 12.605 366 1HB ASN 50 2HB ASN 50 24.889 -0.674 15.129 367 2HB ASN 50 3HB ASN 50 26.673 -0.731 15.120 368 1HD2 ASN 50 1HD2 ASN 50 27.602 0.612 13.360 369 2HD2 ASN 50 2HD2 ASN 50 26.859 2.164 13.084 Start of MODEL 5 1 1H ASP 1 H1 ASP 1 1.939 0.213 0.740 2 2H ASP 1 H2 ASP 1 0.777 -0.829 0.124 3 3H ASP 1 H3 ASP 1 0.577 0.758 -0.031 4 HA ASP 1 HA ASP 1 1.881 -0.936 -1.820 5 1HB ASP 1 2HB ASP 1 2.061 2.084 -1.994 6 2HB ASP 1 3HB ASP 1 1.886 0.883 -3.281 7 H GLU 2 H GLU 2 3.985 -1.619 -1.674 8 HA GLU 2 HA GLU 2 6.264 -1.567 -1.400 9 1HB GLU 2 2HB GLU 2 5.650 1.180 -2.109 10 2HB GLU 2 3HB GLU 2 6.932 1.147 -0.892 11 1HG GLU 2 2HG GLU 2 8.274 -0.314 -2.256 12 2HG GLU 2 3HG GLU 2 6.925 -0.534 -3.406 13 H ALA 3 H ALA 3 4.966 0.893 0.825 14 HA ALA 3 HA ALA 3 6.675 0.601 2.984 15 1HB ALA 3 1HB ALA 3 3.649 0.919 3.127 16 2HB ALA 3 2HB ALA 3 4.813 1.328 4.397 17 3HB ALA 3 3HB ALA 3 4.809 2.252 2.868 18 H GLN 4 H GLN 4 3.749 -1.387 2.454 19 HA GLN 4 HA GLN 4 3.903 -3.172 4.586 20 1HB GLN 4 2HB GLN 4 2.878 -3.272 1.786 21 2HB GLN 4 3HB GLN 4 3.240 -4.853 2.454 22 1HG GLN 4 2HG GLN 4 1.646 -4.740 4.107 23 2HG GLN 4 3HG GLN 4 1.689 -2.973 4.205 24 1HE2 GLN 4 1HE2 GLN 4 0.027 -1.903 3.292 25 2HE2 GLN 4 2HE2 GLN 4 -1.005 -2.638 2.047 26 H PHE 5 H PHE 5 6.086 -3.103 1.883 27 HA PHE 5 HA PHE 5 7.560 -5.595 2.607 28 1HB PHE 5 2HB PHE 5 6.956 -4.765 0.162 29 2HB PHE 5 3HB PHE 5 8.136 -3.489 0.469 30 HD1 PHE 5 HD1 PHE 5 7.673 -6.995 -0.147 31 HD2 PHE 5 HD2 PHE 5 10.551 -3.913 0.881 32 HE1 PHE 5 HE1 PHE 5 9.489 -8.424 -0.885 33 HE2 PHE 5 HE2 PHE 5 12.390 -5.412 0.178 34 HZ PHE 5 HZ PHE 5 11.888 -7.703 -0.594 35 H LYS 6 H LYS 6 7.930 -1.994 2.394 36 HA LYS 6 HA LYS 6 10.674 -1.922 3.318 37 1HB LYS 6 2HB LYS 6 9.013 -0.023 2.348 38 2HB LYS 6 3HB LYS 6 8.786 0.321 4.068 39 1HG LYS 6 2HG LYS 6 10.959 1.040 4.379 40 2HG LYS 6 3HG LYS 6 11.627 -0.016 3.155 41 1HD LYS 6 2HD LYS 6 9.809 2.037 1.999 42 2HD LYS 6 3HD LYS 6 11.171 2.702 2.898 43 1HE LYS 6 2HE LYS 6 12.385 0.662 1.418 44 2HE LYS 6 3HE LYS 6 11.087 1.161 0.334 45 1HZ LYS 6 1HZ LYS 6 12.070 3.522 1.071 46 2HZ LYS 6 2HZ LYS 6 13.439 2.624 1.219 47 3HZ LYS 6 3HZ LYS 6 12.656 2.707 -0.231 48 H GLU 7 H GLU 7 7.707 -2.302 5.035 49 HA GLU 7 HA GLU 7 8.971 -2.039 7.646 50 1HB GLU 7 2HB GLU 7 6.216 -2.270 6.662 51 2HB GLU 7 3HB GLU 7 6.541 -3.509 7.865 52 1HG GLU 7 2HG GLU 7 7.519 -1.659 9.348 53 2HG GLU 7 3HG GLU 7 6.888 -0.510 8.157 54 H CYS 8 H CYS 8 8.293 -4.651 5.364 55 HA CYS 8 HA CYS 8 8.925 -6.747 7.343 56 1HB CYS 8 2HB CYS 8 7.594 -6.775 4.924 57 2HB CYS 8 3HB CYS 8 9.224 -7.180 4.414 58 H TYR 9 H TYR 9 10.595 -5.062 4.674 59 HA TYR 9 HA TYR 9 13.092 -6.414 4.947 60 1HB TYR 9 2HB TYR 9 12.177 -4.782 3.126 61 2HB TYR 9 3HB TYR 9 12.697 -3.483 4.177 62 HD1 TYR 9 HD1 TYR 9 15.197 -3.311 4.813 63 HD2 TYR 9 HD2 TYR 9 13.688 -5.967 1.741 64 HE1 TYR 9 HE1 TYR 9 17.392 -3.364 3.772 65 HE2 TYR 9 HE2 TYR 9 15.890 -5.942 0.682 66 HH TYR 9 HH TYR 9 18.041 -5.678 1.070 67 H ASP 10 H ASP 10 12.072 -3.284 6.344 68 HA ASP 10 HA ASP 10 14.473 -2.792 7.841 69 1HB ASP 10 2HB ASP 10 12.378 -1.252 7.305 70 2HB ASP 10 3HB ASP 10 11.726 -1.881 8.807 71 H THR 11 H THR 11 11.371 -4.119 8.863 72 HA THR 11 HA THR 11 12.115 -4.764 11.532 73 HB THR 11 HB THR 11 9.918 -6.008 9.867 74 HG1 THR 11 1HG THR 11 9.295 -4.078 9.997 75 1HG2 THR 11 1HG2 THR 11 10.578 -7.039 12.239 76 2HG2 THR 11 2HG2 THR 11 9.682 -5.614 12.819 77 3HG2 THR 11 3HG2 THR 11 8.899 -6.775 11.721 78 H CYS 12 H CYS 12 12.016 -6.803 8.542 79 HA CYS 12 HA CYS 12 12.915 -9.238 9.744 80 1HB CYS 12 2HB CYS 12 11.975 -9.064 7.448 81 2HB CYS 12 3HB CYS 12 13.472 -8.272 6.907 82 H HIS 13 H HIS 13 14.690 -6.417 8.364 83 HA HIS 13 HA HIS 13 17.320 -7.359 8.781 84 1HB HIS 13 2HB HIS 13 16.415 -5.075 7.732 85 2HB HIS 13 3HB HIS 13 16.706 -4.511 9.366 86 HD1 HIS 13 HD1 HIS 13 19.182 -3.950 9.888 87 HD2 HIS 13 HD2 HIS 13 18.494 -6.200 6.366 88 HE1 HIS 13 HE1 HIS 13 21.381 -4.003 8.619 89 HE2 HIS 13 HE2 HIS 13 20.950 -5.259 6.421 90 H LYS 14 H LYS 14 15.111 -5.848 11.081 91 HA LYS 14 HA LYS 14 16.928 -5.654 13.294 92 1HB LYS 14 2HB LYS 14 14.099 -5.295 12.892 93 2HB LYS 14 3HB LYS 14 14.246 -6.490 14.174 94 1HG LYS 14 2HG LYS 14 14.292 -4.526 15.324 95 2HG LYS 14 3HG LYS 14 16.024 -4.849 15.166 96 1HD LYS 14 2HD LYS 14 16.245 -2.800 14.164 97 2HD LYS 14 3HD LYS 14 15.392 -3.436 12.769 98 1HE LYS 14 2HE LYS 14 14.272 -1.436 13.438 99 2HE LYS 14 3HE LYS 14 13.209 -2.800 13.786 100 1HZ LYS 14 1HZ LYS 14 13.633 -1.002 15.612 101 2HZ LYS 14 2HZ LYS 14 13.566 -2.591 16.048 102 3HZ LYS 14 3HZ LYS 14 15.021 -1.849 15.897 103 H GLU 15 H GLU 15 14.610 -8.340 12.838 104 HA GLU 15 HA GLU 15 16.018 -10.108 14.663 105 1HB GLU 15 2HB GLU 15 13.578 -10.190 13.841 106 2HB GLU 15 3HB GLU 15 14.205 -10.970 12.389 107 1HG GLU 15 2HG GLU 15 14.785 -12.914 13.481 108 2HG GLU 15 3HG GLU 15 15.207 -12.102 14.982 109 H CYS 16 H CYS 16 16.724 -9.156 11.464 110 HA CYS 16 HA CYS 16 18.235 -11.494 10.753 111 1HB CYS 16 2HB CYS 16 17.215 -9.885 9.132 112 2HB CYS 16 3HB CYS 16 18.558 -8.782 9.487 113 H SER 17 H SER 17 19.259 -8.116 11.390 114 HA SER 17 HA SER 17 22.058 -8.546 11.726 115 1HB SER 17 2HB SER 17 20.227 -6.362 12.023 116 2HB SER 17 3HB SER 17 21.007 -6.557 13.583 117 HG SER 17 HG SER 17 22.810 -6.742 11.565 118 H ASP 18 H ASP 18 19.382 -9.284 13.937 119 HA ASP 18 HA ASP 18 20.722 -9.695 16.420 120 1HB ASP 18 2HB ASP 18 18.352 -9.929 16.378 121 2HB ASP 18 3HB ASP 18 18.431 -11.008 14.996 122 H LYS 19 H LYS 19 20.717 -11.732 13.443 123 HA LYS 19 HA LYS 19 22.085 -13.895 14.636 124 1HB LYS 19 2HB LYS 19 21.299 -13.029 11.896 125 2HB LYS 19 3HB LYS 19 22.850 -13.682 11.886 126 1HG LYS 19 2HG LYS 19 20.905 -15.281 13.514 127 2HG LYS 19 3HG LYS 19 20.288 -14.904 11.915 128 1HD LYS 19 2HD LYS 19 22.737 -15.714 11.142 129 2HD LYS 19 3HD LYS 19 22.721 -16.511 12.718 130 1HE LYS 19 2HE LYS 19 20.257 -16.768 10.998 131 2HE LYS 19 3HE LYS 19 21.733 -17.495 10.346 132 1HZ LYS 19 1HZ LYS 19 20.760 -19.175 11.656 133 2HZ LYS 19 2HZ LYS 19 21.934 -18.553 12.636 134 3HZ LYS 19 3HZ LYS 19 20.371 -18.147 12.888 135 H GLY 20 H GLY 20 23.161 -10.833 14.240 136 1HA GLY 20 2HA GLY 20 25.153 -9.836 14.772 137 2HA GLY 20 3HA GLY 20 25.906 -11.432 14.971 138 H ASN 21 H ASN 21 24.209 -10.824 12.053 139 HA ASN 21 HA ASN 21 26.679 -11.027 10.457 140 1HB ASN 21 2HB ASN 21 23.815 -11.482 10.013 141 2HB ASN 21 3HB ASN 21 24.611 -10.708 8.662 142 1HD2 ASN 21 1HD2 ASN 21 23.612 -13.511 9.229 143 2HD2 ASN 21 2HD2 ASN 21 25.007 -14.459 8.623 144 H GLY 22 H GLY 22 26.546 -9.654 8.411 145 1HA GLY 22 2HA GLY 22 26.793 -6.811 9.275 146 2HA GLY 22 3HA GLY 22 27.226 -7.453 7.663 147 H PHE 23 H PHE 23 25.554 -5.144 8.610 148 HA PHE 23 HA PHE 23 22.886 -5.400 8.055 149 1HB PHE 23 2HB PHE 23 22.904 -3.050 7.590 150 2HB PHE 23 3HB PHE 23 24.174 -3.297 8.765 151 HD1 PHE 23 HD1 PHE 23 23.273 -1.960 5.488 152 HD2 PHE 23 HD2 PHE 23 26.623 -3.616 7.698 153 HE1 PHE 23 HE1 PHE 23 24.763 -1.072 3.843 154 HE2 PHE 23 HE2 PHE 23 28.157 -2.672 6.020 155 HZ PHE 23 HZ PHE 23 27.249 -1.334 4.099 156 H THR 24 H THR 24 25.396 -4.829 5.637 157 HA THR 24 HA THR 24 23.821 -4.815 3.357 158 HB THR 24 HB THR 24 26.676 -5.371 3.957 159 HG1 THR 24 1HG THR 24 26.630 -3.486 3.150 160 1HG2 THR 24 1HG2 THR 24 25.448 -6.317 1.351 161 2HG2 THR 24 2HG2 THR 24 27.148 -5.827 1.483 162 3HG2 THR 24 3HG2 THR 24 26.578 -7.202 2.418 163 H PHE 25 H PHE 25 25.583 -7.722 4.453 164 HA PHE 25 HA PHE 25 24.359 -9.588 2.750 165 1HB PHE 25 2HB PHE 25 26.271 -10.189 4.088 166 2HB PHE 25 3HB PHE 25 25.421 -9.772 5.584 167 HD1 PHE 25 HD1 PHE 25 23.980 -11.300 6.715 168 HD2 PHE 25 HD2 PHE 25 25.411 -12.231 2.754 169 HE1 PHE 25 HE1 PHE 25 23.129 -13.621 6.947 170 HE2 PHE 25 HE2 PHE 25 24.627 -14.566 3.022 171 HZ PHE 25 HZ PHE 25 23.532 -15.274 5.156 172 H CYS 26 H CYS 26 23.266 -8.543 6.028 173 HA CYS 26 HA CYS 26 20.966 -10.172 6.035 174 1HB CYS 26 2HB CYS 26 22.121 -7.969 7.657 175 2HB CYS 26 3HB CYS 26 20.392 -7.941 7.581 176 H GLU 27 H GLU 27 21.613 -7.006 4.579 177 HA GLU 27 HA GLU 27 18.893 -6.228 4.052 178 1HB GLU 27 2HB GLU 27 21.632 -5.195 3.563 179 2HB GLU 27 3HB GLU 27 20.676 -5.080 2.120 180 1HG GLU 27 2HG GLU 27 19.412 -3.411 2.951 181 2HG GLU 27 3HG GLU 27 19.231 -4.215 4.542 182 H MET 28 H MET 28 21.424 -7.407 1.841 183 HA MET 28 HA MET 28 19.638 -7.972 -0.335 184 1HB MET 28 2HB MET 28 22.407 -8.679 0.471 185 2HB MET 28 3HB MET 28 21.629 -9.943 -0.474 186 1HG MET 28 2HG MET 28 21.263 -8.526 -2.323 187 2HG MET 28 3HG MET 28 21.546 -7.059 -1.371 188 1HE MET 28 1HE MET 28 24.691 -10.233 -2.275 189 2HE MET 28 2HE MET 28 22.924 -10.410 -2.235 190 3HE MET 28 3HE MET 28 23.708 -9.784 -3.695 191 H LYS 29 H LYS 29 20.342 -9.818 2.555 192 HA LYS 29 HA LYS 29 18.980 -12.207 1.595 193 1HB LYS 29 2HB LYS 29 20.852 -12.085 3.398 194 2HB LYS 29 3HB LYS 29 19.574 -11.617 4.518 195 1HG LYS 29 2HG LYS 29 19.176 -14.004 2.689 196 2HG LYS 29 3HG LYS 29 20.344 -14.173 3.994 197 1HD LYS 29 2HD LYS 29 18.745 -13.991 5.678 198 2HD LYS 29 3HD LYS 29 17.605 -13.084 4.668 199 1HE LYS 29 2HE LYS 29 17.330 -15.107 3.226 200 2HE LYS 29 3HE LYS 29 18.210 -16.038 4.441 201 1HZ LYS 29 1HZ LYS 29 16.369 -15.873 5.896 202 2HZ LYS 29 2HZ LYS 29 15.884 -14.412 5.377 203 3HZ LYS 29 3HZ LYS 29 15.518 -15.662 4.508 204 H CYS 30 H CYS 30 18.138 -9.892 4.171 205 HA CYS 30 HA CYS 30 15.478 -10.577 4.704 206 1HB CYS 30 2HB CYS 30 16.918 -7.927 4.584 207 2HB CYS 30 3HB CYS 30 15.246 -8.071 5.101 208 H ASP 31 H ASP 31 16.856 -8.847 1.933 209 HA ASP 31 HA ASP 31 14.505 -7.889 0.709 210 1HB ASP 31 2HB ASP 31 17.175 -7.716 0.106 211 2HB ASP 31 3HB ASP 31 16.798 -9.039 -0.934 212 H THR 32 H THR 32 16.288 -10.842 -0.004 213 HA THR 32 HA THR 32 14.078 -12.009 -1.579 214 HB THR 32 HB THR 32 16.817 -12.928 -0.715 215 HG1 THR 32 1HG THR 32 16.434 -11.675 -2.561 216 1HG2 THR 32 1HG2 THR 32 14.639 -14.717 -1.813 217 2HG2 THR 32 2HG2 THR 32 16.357 -15.045 -2.103 218 3HG2 THR 32 3HG2 THR 32 15.738 -14.989 -0.435 219 H ASP 33 H ASP 33 14.944 -12.010 1.798 220 HA ASP 33 HA ASP 33 13.633 -14.367 2.702 221 1HB ASP 33 2HB ASP 33 15.079 -12.981 4.148 222 2HB ASP 33 3HB ASP 33 13.914 -11.659 4.022 223 H CYS 34 H CYS 34 12.326 -11.094 3.029 224 HA CYS 34 HA CYS 34 9.599 -12.166 3.033 225 1HB CYS 34 2HB CYS 34 10.555 -10.320 4.579 226 2HB CYS 34 3HB CYS 34 10.341 -9.237 3.191 227 H SER 35 H SER 35 10.641 -12.676 0.756 228 HA SER 35 HA SER 35 8.969 -11.312 -1.183 229 1HB SER 35 2HB SER 35 10.989 -9.845 -1.005 230 2HB SER 35 3HB SER 35 11.914 -11.088 -1.848 231 HG SER 35 HG SER 35 9.470 -10.553 -2.986 232 H VAL 36 H VAL 36 8.273 -13.485 -1.901 233 HA VAL 36 HA VAL 36 10.109 -15.612 -2.406 234 HB VAL 36 HB VAL 36 7.319 -15.643 -3.432 235 1HG1 VAL 36 1HG1 VAL 36 9.382 -17.624 -2.952 236 2HG1 VAL 36 2HG1 VAL 36 8.035 -17.989 -1.898 237 3HG1 VAL 36 3HG1 VAL 36 7.764 -17.840 -3.641 238 1HG2 VAL 36 1HG2 VAL 36 6.636 -14.789 -1.426 239 2HG2 VAL 36 2HG2 VAL 36 6.729 -16.485 -0.947 240 3HG2 VAL 36 3HG2 VAL 36 8.041 -15.398 -0.519 241 H LYS 37 H LYS 37 9.449 -16.735 -4.702 242 HA LYS 37 HA LYS 37 9.166 -15.049 -6.992 243 1HB LYS 37 2HB LYS 37 11.410 -14.274 -6.383 244 2HB LYS 37 3HB LYS 37 12.022 -15.903 -6.249 245 1HG LYS 37 2HG LYS 37 12.404 -16.034 -8.500 246 2HG LYS 37 3HG LYS 37 10.821 -15.361 -8.903 247 1HD LYS 37 2HD LYS 37 11.964 -13.719 -9.757 248 2HD LYS 37 3HD LYS 37 11.832 -13.058 -8.124 249 1HE LYS 37 2HE LYS 37 14.030 -13.895 -7.532 250 2HE LYS 37 3HE LYS 37 14.158 -14.785 -9.064 251 1HZ LYS 37 1HZ LYS 37 14.469 -12.850 -10.244 252 2HZ LYS 37 2HZ LYS 37 13.682 -11.901 -9.157 253 3HZ LYS 37 3HZ LYS 37 15.212 -12.402 -8.836 254 H ASP 38 H ASP 38 8.978 -16.246 -8.860 255 HA ASP 38 HA ASP 38 9.020 -19.216 -8.587 256 1HB ASP 38 2HB ASP 38 6.735 -17.778 -8.974 257 2HB ASP 38 3HB ASP 38 7.348 -17.751 -10.624 258 H VAL 39 H VAL 39 9.657 -20.330 -10.393 259 HA VAL 39 HA VAL 39 10.861 -18.963 -12.733 260 HB VAL 39 HB VAL 39 12.556 -20.628 -10.830 261 1HG1 VAL 39 1HG1 VAL 39 13.146 -20.968 -13.287 262 2HG1 VAL 39 2HG1 VAL 39 13.363 -19.217 -13.433 263 3HG1 VAL 39 3HG1 VAL 39 14.417 -20.187 -12.367 264 1HG2 VAL 39 1HG2 VAL 39 13.978 -18.493 -10.741 265 2HG2 VAL 39 2HG2 VAL 39 12.611 -17.668 -11.526 266 3HG2 VAL 39 3HG2 VAL 39 12.423 -18.412 -9.923 267 H LYS 40 H LYS 40 8.979 -20.088 -13.498 268 HA LYS 40 HA LYS 40 8.524 -22.825 -13.472 269 1HB LYS 40 2HB LYS 40 8.179 -20.880 -15.798 270 2HB LYS 40 3HB LYS 40 7.546 -22.522 -15.797 271 1HG LYS 40 2HG LYS 40 6.726 -21.240 -13.300 272 2HG LYS 40 3HG LYS 40 6.411 -20.128 -14.626 273 1HD LYS 40 2HD LYS 40 4.447 -21.384 -14.412 274 2HD LYS 40 3HD LYS 40 5.267 -22.115 -15.813 275 1HE LYS 40 2HE LYS 40 6.163 -23.908 -14.373 276 2HE LYS 40 3HE LYS 40 5.463 -23.145 -12.936 277 1HZ LYS 40 1HZ LYS 40 3.597 -23.688 -15.079 278 2HZ LYS 40 2HZ LYS 40 4.207 -25.033 -14.354 279 3HZ LYS 40 3HZ LYS 40 3.418 -23.896 -13.458 280 H GLU 41 H GLU 41 9.313 -24.617 -14.373 281 HA GLU 41 HA GLU 41 11.999 -24.334 -15.593 282 1HB GLU 41 2HB GLU 41 11.206 -25.962 -13.582 283 2HB GLU 41 3HB GLU 41 10.833 -27.008 -14.962 284 1HG GLU 41 2HG GLU 41 13.327 -26.126 -15.697 285 2HG GLU 41 3HG GLU 41 13.467 -25.919 -13.956 286 H LYS 42 H LYS 42 12.536 -25.783 -17.367 287 HA LYS 42 HA LYS 42 10.463 -25.620 -19.500 288 1HB LYS 42 2HB LYS 42 12.999 -24.931 -19.769 289 2HB LYS 42 3HB LYS 42 13.308 -26.658 -19.763 290 1HG LYS 42 2HG LYS 42 11.230 -26.559 -21.566 291 2HG LYS 42 3HG LYS 42 11.880 -24.931 -21.777 292 1HD LYS 42 2HD LYS 42 13.971 -25.760 -22.575 293 2HD LYS 42 3HD LYS 42 13.719 -27.351 -21.829 294 1HE LYS 42 2HE LYS 42 13.367 -27.788 -24.080 295 2HE LYS 42 3HE LYS 42 11.770 -27.743 -23.339 296 1HZ LYS 42 1HZ LYS 42 11.244 -26.180 -24.820 297 2HZ LYS 42 2HZ LYS 42 12.349 -25.156 -24.152 298 3HZ LYS 42 3HZ LYS 42 12.778 -26.114 -25.422 299 H LEU 43 H LEU 43 9.178 -27.103 -18.290 300 HA LEU 43 HA LEU 43 9.616 -29.750 -17.655 301 1HB LEU 43 2HB LEU 43 7.341 -29.923 -17.525 302 2HB LEU 43 3HB LEU 43 7.394 -28.208 -17.723 303 HG LEU 43 HG LEU 43 5.690 -28.877 -19.104 304 1HD1 LEU 43 1HD1 LEU 43 6.203 -27.766 -21.022 305 2HD1 LEU 43 2HD1 LEU 43 7.859 -27.712 -20.433 306 3HD1 LEU 43 3HD1 LEU 43 7.366 -29.002 -21.507 307 1HD2 LEU 43 1HD2 LEU 43 6.594 -31.403 -19.042 308 2HD2 LEU 43 2HD2 LEU 43 5.371 -30.857 -20.188 309 3HD2 LEU 43 3HD2 LEU 43 7.030 -31.020 -20.697 310 H GLU 44 H GLU 44 9.053 -31.800 -18.884 311 HA GLU 44 HA GLU 44 9.111 -31.737 -21.749 312 1HB GLU 44 2HB GLU 44 11.674 -31.833 -20.293 313 2HB GLU 44 3HB GLU 44 11.434 -33.306 -21.204 314 1HG GLU 44 2HG GLU 44 11.016 -30.557 -22.494 315 2HG GLU 44 3HG GLU 44 12.603 -31.279 -22.366 316 H ASN 45 H ASN 45 8.854 -33.803 -22.593 317 HA ASN 45 HA ASN 45 8.837 -36.257 -21.253 318 1HB ASN 45 2HB ASN 45 6.347 -36.600 -20.897 319 2HB ASN 45 3HB ASN 45 7.042 -35.480 -19.743 320 1HD2 ASN 45 1HD2 ASN 45 5.282 -35.499 -22.812 321 2HD2 ASN 45 2HD2 ASN 45 4.520 -33.973 -22.467 322 H TYR 46 H TYR 46 8.491 -37.847 -22.753 323 HA TYR 46 HA TYR 46 6.623 -37.641 -24.918 324 1HB TYR 46 2HB TYR 46 8.857 -36.028 -25.433 325 2HB TYR 46 3HB TYR 46 9.384 -37.544 -26.072 326 HD1 TYR 46 HD1 TYR 46 6.898 -34.790 -26.291 327 HD2 TYR 46 HD2 TYR 46 8.313 -38.461 -28.059 328 HE1 TYR 46 HE1 TYR 46 5.623 -34.281 -28.359 329 HE2 TYR 46 HE2 TYR 46 7.031 -37.987 -30.106 330 HH TYR 46 HH TYR 46 5.934 -36.295 -31.252 331 H LYS 47 H LYS 47 6.833 -39.472 -26.367 332 HA LYS 47 HA LYS 47 8.743 -41.548 -25.511 333 1HB LYS 47 2HB LYS 47 5.858 -41.652 -24.928 334 2HB LYS 47 3HB LYS 47 6.280 -42.902 -26.081 335 1HG LYS 47 2HG LYS 47 8.320 -43.315 -24.341 336 2HG LYS 47 3HG LYS 47 7.271 -42.475 -23.232 337 1HD LYS 47 2HD LYS 47 6.105 -44.747 -24.898 338 2HD LYS 47 3HD LYS 47 7.281 -45.139 -23.639 339 1HE LYS 47 2HE LYS 47 5.929 -43.769 -22.027 340 2HE LYS 47 3HE LYS 47 4.669 -43.609 -23.262 341 1HZ LYS 47 1HZ LYS 47 5.686 -46.279 -22.538 342 2HZ LYS 47 2HZ LYS 47 4.580 -45.578 -21.554 343 3HZ LYS 47 3HZ LYS 47 4.206 -45.893 -23.128 344 HA PRO 48 HA PRO 48 9.216 -42.350 -29.737 345 1HB PRO 48 2HB PRO 48 9.667 -45.128 -29.809 346 2HB PRO 48 3HB PRO 48 10.841 -43.880 -29.302 347 1HG PRO 48 2HG PRO 48 9.296 -45.806 -27.636 348 2HG PRO 48 3HG PRO 48 10.846 -44.965 -27.287 349 1HD PRO 48 2HD PRO 48 8.220 -44.309 -26.418 350 2HD PRO 48 3HD PRO 48 9.743 -43.385 -26.130 351 H LYS 49 H LYS 49 8.479 -44.272 -31.437 352 HA LYS 49 HA LYS 49 5.776 -45.217 -31.044 353 1HB LYS 49 2HB LYS 49 4.650 -43.792 -32.587 354 2HB LYS 49 3HB LYS 49 5.601 -42.702 -31.612 355 1HG LYS 49 2HG LYS 49 6.092 -41.818 -33.648 356 2HG LYS 49 3HG LYS 49 7.428 -42.928 -33.527 357 1HD LYS 49 2HD LYS 49 6.752 -44.100 -35.317 358 2HD LYS 49 3HD LYS 49 5.132 -44.366 -34.669 359 1HE LYS 49 2HE LYS 49 4.262 -42.396 -35.579 360 2HE LYS 49 3HE LYS 49 5.882 -41.693 -35.801 361 1HZ LYS 49 1HZ LYS 49 4.529 -43.695 -37.460 362 2HZ LYS 49 2HZ LYS 49 5.544 -42.461 -37.918 363 3HZ LYS 49 3HZ LYS 49 6.120 -43.871 -37.260 364 H ASN 50 H ASN 50 5.502 -46.974 -32.309 365 HA ASN 50 HA ASN 50 7.526 -48.309 -33.721 366 1HB ASN 50 2HB ASN 50 4.491 -48.394 -33.756 367 2HB ASN 50 3HB ASN 50 5.402 -49.247 -34.995 368 1HD2 ASN 50 1HD2 ASN 50 5.009 -51.289 -34.487 369 2HD2 ASN 50 2HD2 ASN 50 5.481 -51.997 -32.922 Start of MODEL 6 1 1H ASP 1 H1 ASP 1 1.464 0.883 0.420 2 2H ASP 1 H2 ASP 1 1.636 -0.753 0.595 3 3H ASP 1 H3 ASP 1 0.313 -0.125 -0.206 4 HA ASP 1 HA ASP 1 2.787 -0.832 -1.277 5 1HB ASP 1 2HB ASP 1 0.048 -0.126 -2.113 6 2HB ASP 1 3HB ASP 1 1.206 0.595 -3.210 7 H GLU 2 H GLU 2 3.275 0.864 -3.309 8 HA GLU 2 HA GLU 2 4.250 2.804 -3.958 9 1HB GLU 2 2HB GLU 2 2.267 3.717 -2.052 10 2HB GLU 2 3HB GLU 2 3.724 4.669 -1.837 11 1HG GLU 2 2HG GLU 2 3.662 5.522 -3.993 12 2HG GLU 2 3HG GLU 2 2.700 4.171 -4.632 13 H ALA 3 H ALA 3 4.458 2.601 -0.394 14 HA ALA 3 HA ALA 3 6.965 3.698 0.014 15 1HB ALA 3 1HB ALA 3 5.171 1.860 1.445 16 2HB ALA 3 2HB ALA 3 6.873 1.443 1.719 17 3HB ALA 3 3HB ALA 3 6.316 3.084 2.084 18 H GLN 4 H GLN 4 6.298 0.235 -0.730 19 HA GLN 4 HA GLN 4 8.854 -0.760 -0.848 20 1HB GLN 4 2HB GLN 4 6.318 -1.294 -2.387 21 2HB GLN 4 3HB GLN 4 7.795 -1.973 -3.061 22 1HG GLN 4 2HG GLN 4 7.050 -2.366 -0.143 23 2HG GLN 4 3HG GLN 4 6.503 -3.462 -1.420 24 1HE2 GLN 4 1HE2 GLN 4 9.145 -2.571 0.636 25 2HE2 GLN 4 2HE2 GLN 4 10.289 -3.723 -0.050 26 H PHE 5 H PHE 5 7.482 1.527 -3.096 27 HA PHE 5 HA PHE 5 9.774 1.399 -4.968 28 1HB PHE 5 2HB PHE 5 7.229 1.645 -5.588 29 2HB PHE 5 3HB PHE 5 7.339 3.260 -4.902 30 HD1 PHE 5 HD1 PHE 5 8.217 1.190 -7.706 31 HD2 PHE 5 HD2 PHE 5 8.800 5.031 -5.826 32 HE1 PHE 5 HE1 PHE 5 9.017 2.151 -9.855 33 HE2 PHE 5 HE2 PHE 5 9.632 5.948 -7.989 34 HZ PHE 5 HZ PHE 5 9.814 4.482 -9.967 35 H LYS 6 H LYS 6 8.157 3.581 -2.572 36 HA LYS 6 HA LYS 6 9.894 5.838 -2.987 37 1HB LYS 6 2HB LYS 6 7.625 5.484 -1.509 38 2HB LYS 6 3HB LYS 6 8.820 5.259 -0.230 39 1HG LYS 6 2HG LYS 6 8.440 7.581 -0.177 40 2HG LYS 6 3HG LYS 6 9.901 7.473 -1.166 41 1HD LYS 6 2HD LYS 6 8.403 7.503 -3.236 42 2HD LYS 6 3HD LYS 6 7.027 7.743 -2.146 43 1HE LYS 6 2HE LYS 6 8.410 9.767 -1.230 44 2HE LYS 6 3HE LYS 6 9.370 9.602 -2.704 45 1HZ LYS 6 1HZ LYS 6 7.262 11.106 -2.687 46 2HZ LYS 6 2HZ LYS 6 7.574 10.175 -4.011 47 3HZ LYS 6 3HZ LYS 6 6.444 9.699 -2.919 48 H GLU 7 H GLU 7 10.366 2.837 -1.296 49 HA GLU 7 HA GLU 7 12.799 3.751 0.015 50 1HB GLU 7 2HB GLU 7 11.248 1.168 -0.176 51 2HB GLU 7 3HB GLU 7 12.952 1.072 0.237 52 1HG GLU 7 2HG GLU 7 11.342 3.131 1.731 53 2HG GLU 7 3HG GLU 7 11.000 1.438 2.082 54 H CYS 8 H CYS 8 11.876 2.189 -3.033 55 HA CYS 8 HA CYS 8 14.649 1.399 -3.612 56 1HB CYS 8 2HB CYS 8 12.212 0.590 -4.580 57 2HB CYS 8 3HB CYS 8 12.636 1.810 -5.772 58 H TYR 9 H TYR 9 12.404 4.046 -4.507 59 HA TYR 9 HA TYR 9 14.202 5.417 -6.234 60 1HB TYR 9 2HB TYR 9 11.640 5.698 -5.724 61 2HB TYR 9 3HB TYR 9 12.132 6.663 -4.352 62 HD1 TYR 9 HD1 TYR 9 13.520 8.794 -4.752 63 HD2 TYR 9 HD2 TYR 9 11.599 6.588 -7.926 64 HE1 TYR 9 HE1 TYR 9 13.578 10.781 -6.183 65 HE2 TYR 9 HE2 TYR 9 11.639 8.624 -9.327 66 HH TYR 9 HH TYR 9 12.776 10.563 -9.638 67 H ASP 10 H ASP 10 13.505 5.926 -2.737 68 HA ASP 10 HA ASP 10 15.380 8.031 -2.403 69 1HB ASP 10 2HB ASP 10 13.483 7.044 -0.805 70 2HB ASP 10 3HB ASP 10 14.776 6.034 -0.185 71 H THR 11 H THR 11 15.621 4.535 -1.646 72 HA THR 11 HA THR 11 18.315 4.558 -0.855 73 HB THR 11 HB THR 11 16.669 2.268 -1.988 74 HG1 THR 11 1HG THR 11 15.904 2.282 0.055 75 1HG2 THR 11 1HG2 THR 11 18.646 1.160 -1.818 76 2HG2 THR 11 2HG2 THR 11 19.359 2.406 -0.740 77 3HG2 THR 11 3HG2 THR 11 18.257 1.173 -0.088 78 H CYS 12 H CYS 12 16.818 3.854 -4.047 79 HA CYS 12 HA CYS 12 19.188 3.230 -5.433 80 1HB CYS 12 2HB CYS 12 16.963 2.840 -6.359 81 2HB CYS 12 3HB CYS 12 16.684 4.596 -6.495 82 H HIS 13 H HIS 13 17.565 6.382 -4.788 83 HA HIS 13 HA HIS 13 19.326 8.055 -6.180 84 1HB HIS 13 2HB HIS 13 17.136 8.558 -4.738 85 2HB HIS 13 3HB HIS 13 18.336 8.916 -3.519 86 HD1 HIS 13 HD1 HIS 13 19.062 11.321 -3.566 87 HD2 HIS 13 HD2 HIS 13 17.614 9.922 -7.270 88 HE1 HIS 13 HE1 HIS 13 19.040 13.354 -5.160 89 HE2 HIS 13 HE2 HIS 13 18.162 12.476 -7.421 90 H LYS 14 H LYS 14 19.656 6.661 -2.932 91 HA LYS 14 HA LYS 14 22.040 8.012 -2.175 92 1HB LYS 14 2HB LYS 14 20.460 5.818 -1.216 93 2HB LYS 14 3HB LYS 14 22.123 5.222 -1.306 94 1HG LYS 14 2HG LYS 14 22.900 6.986 0.100 95 2HG LYS 14 3HG LYS 14 21.364 7.879 -0.039 96 1HD LYS 14 2HD LYS 14 20.152 6.327 1.250 97 2HD LYS 14 3HD LYS 14 21.381 5.067 1.107 98 1HE LYS 14 2HE LYS 14 22.015 7.722 2.440 99 2HE LYS 14 3HE LYS 14 21.201 6.430 3.337 100 1HZ LYS 14 1HZ LYS 14 23.563 6.196 3.625 101 2HZ LYS 14 2HZ LYS 14 23.049 4.955 2.674 102 3HZ LYS 14 3HZ LYS 14 23.841 6.217 1.997 103 H GLU 15 H GLU 15 21.962 4.706 -3.610 104 HA GLU 15 HA GLU 15 24.763 4.757 -4.280 105 1HB GLU 15 2HB GLU 15 23.382 2.699 -4.011 106 2HB GLU 15 3HB GLU 15 22.507 3.099 -5.485 107 1HG GLU 15 2HG GLU 15 24.187 2.384 -6.836 108 2HG GLU 15 3HG GLU 15 25.439 3.189 -5.892 109 H CYS 16 H CYS 16 22.052 6.313 -5.702 110 HA CYS 16 HA CYS 16 23.122 6.450 -8.354 111 1HB CYS 16 2HB CYS 16 20.693 6.633 -7.752 112 2HB CYS 16 3HB CYS 16 21.026 8.283 -7.192 113 H SER 17 H SER 17 22.471 9.041 -5.933 114 HA SER 17 HA SER 17 24.019 11.076 -7.028 115 1HB SER 17 2HB SER 17 22.600 10.662 -4.617 116 2HB SER 17 3HB SER 17 24.257 10.945 -4.095 117 HG SER 17 HG SER 17 24.223 12.926 -4.995 118 H ASP 18 H ASP 18 25.075 8.136 -5.335 119 HA ASP 18 HA ASP 18 27.694 8.808 -4.560 120 1HB ASP 18 2HB ASP 18 26.928 6.652 -3.955 121 2HB ASP 18 3HB ASP 18 26.352 6.334 -5.578 122 H LYS 19 H LYS 19 26.330 8.150 -7.812 123 HA LYS 19 HA LYS 19 28.816 7.966 -9.127 124 1HB LYS 19 2HB LYS 19 25.952 8.128 -9.869 125 2HB LYS 19 3HB LYS 19 26.887 9.096 -10.896 126 1HG LYS 19 2HG LYS 19 28.158 6.446 -10.382 127 2HG LYS 19 3HG LYS 19 26.484 6.269 -10.861 128 1HD LYS 19 2HD LYS 19 27.325 8.131 -12.714 129 2HD LYS 19 3HD LYS 19 28.846 7.285 -12.406 130 1HE LYS 19 2HE LYS 19 27.959 5.213 -13.164 131 2HE LYS 19 3HE LYS 19 26.289 5.734 -12.902 132 1HZ LYS 19 1HZ LYS 19 26.623 7.367 -14.697 133 2HZ LYS 19 2HZ LYS 19 28.100 6.725 -15.021 134 3HZ LYS 19 3HZ LYS 19 26.739 5.811 -15.230 135 H GLY 20 H GLY 20 27.491 10.543 -7.537 136 1HA GLY 20 2HA GLY 20 28.331 12.650 -7.177 137 2HA GLY 20 3HA GLY 20 29.538 12.376 -8.455 138 H ASN 21 H ASN 21 26.254 11.680 -9.256 139 HA ASN 21 HA ASN 21 26.220 13.861 -11.199 140 1HB ASN 21 2HB ASN 21 24.838 11.292 -10.828 141 2HB ASN 21 3HB ASN 21 23.776 12.566 -11.363 142 1HD2 ASN 21 1HD2 ASN 21 25.033 10.179 -12.655 143 2HD2 ASN 21 2HD2 ASN 21 25.647 10.866 -14.197 144 H GLY 22 H GLY 22 23.826 14.733 -11.455 145 1HA GLY 22 2HA GLY 22 23.322 16.327 -9.030 146 2HA GLY 22 3HA GLY 22 22.487 16.487 -10.601 147 H PHE 23 H PHE 23 21.429 16.355 -7.829 148 HA PHE 23 HA PHE 23 20.201 13.955 -7.214 149 1HB PHE 23 2HB PHE 23 18.908 16.703 -6.937 150 2HB PHE 23 3HB PHE 23 18.684 15.323 -5.894 151 HD1 PHE 23 HD1 PHE 23 20.310 18.414 -6.298 152 HD2 PHE 23 HD2 PHE 23 21.019 14.436 -4.781 153 HE1 PHE 23 HE1 PHE 23 22.138 19.280 -4.855 154 HE2 PHE 23 HE2 PHE 23 22.828 15.310 -3.337 155 HZ PHE 23 HZ PHE 23 23.388 17.731 -3.372 156 H THR 24 H THR 24 18.741 16.680 -9.016 157 HA THR 24 HA THR 24 16.329 15.558 -9.721 158 HB THR 24 HB THR 24 18.101 17.670 -10.811 159 HG1 THR 24 1HG THR 24 16.396 18.368 -9.663 160 1HG2 THR 24 1HG2 THR 24 17.776 16.756 -13.007 161 2HG2 THR 24 2HG2 THR 24 16.091 16.289 -12.622 162 3HG2 THR 24 3HG2 THR 24 16.541 17.992 -12.824 163 H PHE 25 H PHE 25 19.180 15.462 -11.918 164 HA PHE 25 HA PHE 25 18.175 13.656 -13.759 165 1HB PHE 25 2HB PHE 25 20.281 14.747 -14.146 166 2HB PHE 25 3HB PHE 25 20.933 14.176 -12.607 167 HD1 PHE 25 HD1 PHE 25 22.059 12.111 -12.397 168 HD2 PHE 25 HD2 PHE 25 19.884 12.995 -15.986 169 HE1 PHE 25 HE1 PHE 25 23.070 10.123 -13.493 170 HE2 PHE 25 HE2 PHE 25 20.945 11.039 -17.113 171 HZ PHE 25 HZ PHE 25 22.578 9.624 -15.864 172 H CYS 26 H CYS 26 19.940 12.882 -10.692 173 HA CYS 26 HA CYS 26 19.842 10.099 -11.062 174 1HB CYS 26 2HB CYS 26 20.570 12.009 -8.931 175 2HB CYS 26 3HB CYS 26 19.810 10.580 -8.316 176 H GLU 27 H GLU 27 17.480 12.450 -9.870 177 HA GLU 27 HA GLU 27 15.704 10.569 -8.631 178 1HB GLU 27 2HB GLU 27 15.860 13.470 -9.115 179 2HB GLU 27 3HB GLU 27 14.272 12.891 -9.557 180 1HG GLU 27 2HG GLU 27 13.701 12.553 -7.394 181 2HG GLU 27 3HG GLU 27 15.264 11.771 -7.015 182 H MET 28 H MET 28 15.355 12.432 -11.679 183 HA MET 28 HA MET 28 13.185 10.930 -12.674 184 1HB MET 28 2HB MET 28 15.284 12.764 -13.780 185 2HB MET 28 3HB MET 28 14.695 11.589 -14.937 186 1HG MET 28 2HG MET 28 12.341 12.486 -13.733 187 2HG MET 28 3HG MET 28 13.331 13.933 -13.811 188 1HE MET 28 1HE MET 28 11.097 11.588 -15.192 189 2HE MET 28 2HE MET 28 10.422 13.056 -15.933 190 3HE MET 28 3HE MET 28 11.060 11.747 -16.958 191 H LYS 29 H LYS 29 16.603 10.145 -12.604 192 HA LYS 29 HA LYS 29 16.332 7.925 -14.459 193 1HB LYS 29 2HB LYS 29 18.456 9.353 -13.877 194 2HB LYS 29 3HB LYS 29 18.631 8.257 -12.520 195 1HG LYS 29 2HG LYS 29 19.635 6.813 -13.954 196 2HG LYS 29 3HG LYS 29 18.091 6.582 -14.772 197 1HD LYS 29 2HD LYS 29 19.756 9.024 -15.472 198 2HD LYS 29 3HD LYS 29 20.247 7.455 -16.073 199 1HE LYS 29 2HE LYS 29 17.401 7.677 -16.477 200 2HE LYS 29 3HE LYS 29 18.107 9.205 -16.999 201 1HZ LYS 29 1HZ LYS 29 18.086 7.558 -18.784 202 2HZ LYS 29 2HZ LYS 29 19.644 7.924 -18.401 203 3HZ LYS 29 3HZ LYS 29 18.974 6.513 -17.881 204 H CYS 30 H CYS 30 17.098 8.040 -10.949 205 HA CYS 30 HA CYS 30 16.802 5.381 -10.308 206 1HB CYS 30 2HB CYS 30 16.147 7.955 -8.869 207 2HB CYS 30 3HB CYS 30 15.854 6.419 -8.085 208 H ASP 31 H ASP 31 14.338 7.793 -11.130 209 HA ASP 31 HA ASP 31 12.032 6.472 -10.215 210 1HB ASP 31 2HB ASP 31 12.475 8.874 -11.423 211 2HB ASP 31 3HB ASP 31 12.040 7.996 -12.848 212 H THR 32 H THR 32 13.437 6.555 -13.493 213 HA THR 32 HA THR 32 11.777 4.347 -14.420 214 HB THR 32 HB THR 32 13.943 6.084 -15.576 215 HG1 THR 32 1HG THR 32 12.246 6.366 -17.048 216 1HG2 THR 32 1HG2 THR 32 13.779 4.796 -17.727 217 2HG2 THR 32 2HG2 THR 32 14.642 3.912 -16.451 218 3HG2 THR 32 3HG2 THR 32 12.955 3.499 -16.821 219 H ASP 33 H ASP 33 14.861 4.592 -12.818 220 HA ASP 33 HA ASP 33 16.124 2.220 -13.604 221 1HB ASP 33 2HB ASP 33 17.268 3.891 -12.200 222 2HB ASP 33 3HB ASP 33 16.078 3.614 -10.929 223 H CYS 34 H CYS 34 14.445 2.664 -10.476 224 HA CYS 34 HA CYS 34 13.849 -0.197 -10.387 225 1HB CYS 34 2HB CYS 34 14.600 1.352 -8.424 226 2HB CYS 34 3HB CYS 34 12.904 1.847 -8.368 227 H SER 35 H SER 35 12.632 0.437 -12.464 228 HA SER 35 HA SER 35 9.768 0.499 -11.772 229 1HB SER 35 2HB SER 35 11.050 2.745 -12.891 230 2HB SER 35 3HB SER 35 10.180 2.064 -14.241 231 HG SER 35 HG SER 35 8.272 2.119 -12.984 232 H VAL 36 H VAL 36 8.786 -1.116 -12.857 233 HA VAL 36 HA VAL 36 10.160 -2.603 -14.866 234 HB VAL 36 HB VAL 36 7.298 -3.090 -14.163 235 1HG1 VAL 36 1HG1 VAL 36 7.791 -4.930 -15.371 236 2HG1 VAL 36 2HG1 VAL 36 9.538 -4.605 -15.338 237 3HG1 VAL 36 3HG1 VAL 36 8.780 -5.484 -14.019 238 1HG2 VAL 36 1HG2 VAL 36 8.403 -4.504 -12.152 239 2HG2 VAL 36 2HG2 VAL 36 9.585 -3.206 -12.215 240 3HG2 VAL 36 3HG2 VAL 36 7.859 -2.834 -11.966 241 H LYS 37 H LYS 37 8.302 -3.407 -16.637 242 HA LYS 37 HA LYS 37 6.644 -1.414 -17.745 243 1HB LYS 37 2HB LYS 37 9.339 -0.742 -18.192 244 2HB LYS 37 3HB LYS 37 8.940 -1.617 -19.655 245 1HG LYS 37 2HG LYS 37 6.953 -0.143 -19.969 246 2HG LYS 37 3HG LYS 37 7.303 0.682 -18.448 247 1HD LYS 37 2HD LYS 37 9.634 0.590 -20.294 248 2HD LYS 37 3HD LYS 37 8.232 1.406 -20.977 249 1HE LYS 37 2HE LYS 37 8.534 2.271 -18.222 250 2HE LYS 37 3HE LYS 37 10.121 2.350 -18.974 251 1HZ LYS 37 1HZ LYS 37 8.831 4.395 -19.297 252 2HZ LYS 37 2HZ LYS 37 9.160 3.683 -20.747 253 3HZ LYS 37 3HZ LYS 37 7.657 3.558 -20.089 254 H ASP 38 H ASP 38 5.195 -2.530 -18.868 255 HA ASP 38 HA ASP 38 6.049 -4.987 -20.306 256 1HB ASP 38 2HB ASP 38 4.760 -5.282 -17.988 257 2HB ASP 38 3HB ASP 38 3.367 -4.725 -18.922 258 H VAL 39 H VAL 39 4.433 -5.584 -21.950 259 HA VAL 39 HA VAL 39 2.630 -3.434 -22.881 260 HB VAL 39 HB VAL 39 5.003 -4.455 -24.486 261 1HG1 VAL 39 1HG1 VAL 39 3.452 -2.374 -25.848 262 2HG1 VAL 39 2HG1 VAL 39 3.922 -4.018 -26.380 263 3HG1 VAL 39 3HG1 VAL 39 2.422 -3.753 -25.506 264 1HG2 VAL 39 1HG2 VAL 39 5.231 -1.804 -24.712 265 2HG2 VAL 39 2HG2 VAL 39 4.291 -1.814 -23.224 266 3HG2 VAL 39 3HG2 VAL 39 5.855 -2.665 -23.296 267 H LYS 40 H LYS 40 1.377 -5.272 -21.911 268 HA LYS 40 HA LYS 40 1.153 -7.808 -22.938 269 1HB LYS 40 2HB LYS 40 -1.015 -5.844 -22.083 270 2HB LYS 40 3HB LYS 40 -1.397 -7.490 -22.559 271 1HG LYS 40 2HG LYS 40 0.871 -7.455 -20.699 272 2HG LYS 40 3HG LYS 40 -0.467 -6.573 -19.994 273 1HD LYS 40 2HD LYS 40 -1.674 -8.473 -19.642 274 2HD LYS 40 3HD LYS 40 -1.322 -9.117 -21.246 275 1HE LYS 40 2HE LYS 40 1.145 -9.388 -20.124 276 2HE LYS 40 3HE LYS 40 0.141 -9.544 -18.681 277 1HZ LYS 40 1HZ LYS 40 -0.116 -11.118 -21.181 278 2HZ LYS 40 2HZ LYS 40 0.453 -11.685 -19.749 279 3HZ LYS 40 3HZ LYS 40 -1.138 -11.259 -19.900 280 H GLU 41 H GLU 41 0.798 -8.752 -24.796 281 HA GLU 41 HA GLU 41 0.252 -7.041 -27.080 282 1HB GLU 41 2HB GLU 41 1.569 -9.600 -26.620 283 2HB GLU 41 3HB GLU 41 0.315 -9.823 -27.826 284 1HG GLU 41 2HG GLU 41 1.879 -9.076 -29.288 285 2HG GLU 41 3HG GLU 41 1.373 -7.485 -28.770 286 H LYS 42 H LYS 42 -1.309 -7.756 -28.753 287 HA LYS 42 HA LYS 42 -3.921 -8.175 -27.448 288 1HB LYS 42 2HB LYS 42 -3.314 -6.468 -29.366 289 2HB LYS 42 3HB LYS 42 -3.469 -7.863 -30.426 290 1HG LYS 42 2HG LYS 42 -5.756 -8.194 -29.011 291 2HG LYS 42 3HG LYS 42 -5.545 -6.473 -28.712 292 1HD LYS 42 2HD LYS 42 -6.175 -5.917 -30.828 293 2HD LYS 42 3HD LYS 42 -5.134 -7.122 -31.564 294 1HE LYS 42 2HE LYS 42 -6.969 -8.276 -32.119 295 2HE LYS 42 3HE LYS 42 -7.055 -8.770 -30.444 296 1HZ LYS 42 1HZ LYS 42 -8.189 -6.200 -30.742 297 2HZ LYS 42 2HZ LYS 42 -8.882 -7.254 -31.814 298 3HZ LYS 42 3HZ LYS 42 -8.898 -7.603 -30.218 299 H LEU 43 H LEU 43 -3.316 -10.312 -26.728 300 HA LEU 43 HA LEU 43 -2.654 -12.522 -28.194 301 1HB LEU 43 2HB LEU 43 -3.654 -13.889 -26.554 302 2HB LEU 43 3HB LEU 43 -3.033 -12.474 -25.749 303 HG LEU 43 HG LEU 43 -5.785 -11.866 -26.398 304 1HD1 LEU 43 1HD1 LEU 43 -5.709 -14.575 -26.489 305 2HD1 LEU 43 2HD1 LEU 43 -5.881 -14.350 -24.740 306 3HD1 LEU 43 3HD1 LEU 43 -7.076 -13.667 -25.874 307 1HD2 LEU 43 1HD2 LEU 43 -6.002 -11.299 -24.266 308 2HD2 LEU 43 2HD2 LEU 43 -4.978 -12.623 -23.652 309 3HD2 LEU 43 3HD2 LEU 43 -4.251 -11.198 -24.439 310 H GLU 44 H GLU 44 -3.413 -13.573 -29.925 311 HA GLU 44 HA GLU 44 -6.191 -13.992 -30.390 312 1HB GLU 44 2HB GLU 44 -5.749 -11.428 -31.073 313 2HB GLU 44 3HB GLU 44 -4.962 -12.137 -32.464 314 1HG GLU 44 2HG GLU 44 -7.147 -11.933 -33.233 315 2HG GLU 44 3HG GLU 44 -7.221 -13.574 -32.601 316 H ASN 45 H ASN 45 -6.473 -15.511 -32.019 317 HA ASN 45 HA ASN 45 -4.557 -16.107 -34.019 318 1HB ASN 45 2HB ASN 45 -3.811 -17.137 -31.465 319 2HB ASN 45 3HB ASN 45 -4.583 -18.498 -32.253 320 1HD2 ASN 45 1HD2 ASN 45 -1.752 -16.937 -31.829 321 2HD2 ASN 45 2HD2 ASN 45 -0.875 -17.533 -33.246 322 H TYR 46 H TYR 46 -5.405 -17.620 -35.459 323 HA TYR 46 HA TYR 46 -7.511 -19.462 -34.869 324 1HB TYR 46 2HB TYR 46 -8.999 -17.648 -34.511 325 2HB TYR 46 3HB TYR 46 -8.231 -16.655 -35.744 326 HD1 TYR 46 HD1 TYR 46 -10.625 -19.374 -35.092 327 HD2 TYR 46 HD2 TYR 46 -8.804 -16.875 -38.090 328 HE1 TYR 46 HE1 TYR 46 -12.383 -20.058 -36.747 329 HE2 TYR 46 HE2 TYR 46 -10.541 -17.578 -39.743 330 HH TYR 46 HH TYR 46 -12.299 -20.126 -39.576 331 H LYS 47 H LYS 47 -7.027 -20.952 -36.339 332 HA LYS 47 HA LYS 47 -6.278 -20.028 -39.068 333 1HB LYS 47 2HB LYS 47 -4.993 -22.067 -39.332 334 2HB LYS 47 3HB LYS 47 -4.447 -21.168 -37.932 335 1HG LYS 47 2HG LYS 47 -4.840 -22.923 -36.580 336 2HG LYS 47 3HG LYS 47 -6.532 -22.999 -37.054 337 1HD LYS 47 2HD LYS 47 -5.896 -24.291 -39.096 338 2HD LYS 47 3HD LYS 47 -4.229 -24.311 -38.566 339 1HE LYS 47 2HE LYS 47 -6.583 -25.369 -36.929 340 2HE LYS 47 3HE LYS 47 -5.599 -26.383 -37.990 341 1HZ LYS 47 1HZ LYS 47 -4.008 -26.470 -36.430 342 2HZ LYS 47 2HZ LYS 47 -3.956 -24.837 -36.278 343 3HZ LYS 47 3HZ LYS 47 -5.017 -25.704 -35.374 344 HA PRO 48 HA PRO 48 -9.857 -22.012 -40.568 345 1HB PRO 48 2HB PRO 48 -9.036 -22.675 -43.172 346 2HB PRO 48 3HB PRO 48 -9.554 -21.064 -42.618 347 1HG PRO 48 2HG PRO 48 -6.820 -22.061 -43.227 348 2HG PRO 48 3HG PRO 48 -7.436 -20.380 -43.182 349 1HD PRO 48 2HD PRO 48 -5.908 -21.749 -41.204 350 2HD PRO 48 3HD PRO 48 -6.609 -20.113 -41.097 351 H LYS 49 H LYS 49 -10.313 -24.066 -42.182 352 HA LYS 49 HA LYS 49 -9.005 -26.385 -40.790 353 1HB LYS 49 2HB LYS 49 -11.367 -26.132 -40.173 354 2HB LYS 49 3HB LYS 49 -11.813 -26.105 -41.890 355 1HG LYS 49 2HG LYS 49 -10.577 -28.440 -41.997 356 2HG LYS 49 3HG LYS 49 -10.693 -28.413 -40.240 357 1HD LYS 49 2HD LYS 49 -12.971 -28.715 -40.263 358 2HD LYS 49 3HD LYS 49 -13.217 -27.793 -41.760 359 1HE LYS 49 2HE LYS 49 -12.482 -29.569 -43.156 360 2HE LYS 49 3HE LYS 49 -11.816 -30.478 -41.796 361 1HZ LYS 49 1HZ LYS 49 -14.453 -30.073 -41.168 362 2HZ LYS 49 2HZ LYS 49 -14.495 -30.448 -42.765 363 3HZ LYS 49 3HZ LYS 49 -13.793 -31.484 -41.689 364 H ASN 50 H ASN 50 -10.632 -25.507 -43.920 365 HA ASN 50 HA ASN 50 -8.430 -26.600 -45.428 366 1HB ASN 50 2HB ASN 50 -11.135 -27.956 -45.173 367 2HB ASN 50 3HB ASN 50 -10.280 -27.997 -46.711 368 1HD2 ASN 50 1HD2 ASN 50 -10.944 -30.246 -45.174 369 2HD2 ASN 50 2HD2 ASN 50 -9.384 -30.977 -44.694 Start of MODEL 7 1 1H ASP 1 H1 ASP 1 0.567 -0.660 -0.099 2 2H ASP 1 H2 ASP 1 1.016 0.913 0.227 3 3H ASP 1 H3 ASP 1 1.930 -0.407 0.732 4 HA ASP 1 HA ASP 1 2.135 1.007 -1.653 5 1HB ASP 1 2HB ASP 1 4.085 -0.386 -1.966 6 2HB ASP 1 3HB ASP 1 4.021 0.184 -0.285 7 H GLU 2 H GLU 2 0.675 0.683 -3.295 8 HA GLU 2 HA GLU 2 -0.346 -0.399 -4.975 9 1HB GLU 2 2HB GLU 2 1.894 -2.190 -4.416 10 2HB GLU 2 3HB GLU 2 0.474 -3.141 -4.776 11 1HG GLU 2 2HG GLU 2 1.109 -2.821 -6.903 12 2HG GLU 2 3HG GLU 2 0.330 -1.245 -6.757 13 H ALA 3 H ALA 3 -0.127 -2.747 -2.262 14 HA ALA 3 HA ALA 3 -2.630 -3.956 -2.586 15 1HB ALA 3 1HB ALA 3 -2.384 -4.537 -0.179 16 2HB ALA 3 2HB ALA 3 -0.937 -4.919 -1.156 17 3HB ALA 3 3HB ALA 3 -0.955 -3.480 -0.092 18 H GLN 4 H GLN 4 -1.709 -1.246 -0.424 19 HA GLN 4 HA GLN 4 -4.130 -0.650 0.673 20 1HB GLN 4 2HB GLN 4 -1.652 0.725 0.343 21 2HB GLN 4 3HB GLN 4 -2.839 1.835 -0.311 22 1HG GLN 4 2HG GLN 4 -3.533 0.518 2.312 23 2HG GLN 4 3HG GLN 4 -2.217 1.679 2.334 24 1HE2 GLN 4 1HE2 GLN 4 -5.573 1.301 2.440 25 2HE2 GLN 4 2HE2 GLN 4 -6.002 2.994 2.180 26 H PHE 5 H PHE 5 -3.274 -0.217 -2.670 27 HA PHE 5 HA PHE 5 -5.701 1.300 -3.326 28 1HB PHE 5 2HB PHE 5 -3.338 1.670 -4.326 29 2HB PHE 5 3HB PHE 5 -3.545 0.124 -5.134 30 HD1 PHE 5 HD1 PHE 5 -4.232 3.595 -5.310 31 HD2 PHE 5 HD2 PHE 5 -5.557 -0.283 -6.686 32 HE1 PHE 5 HE1 PHE 5 -5.371 4.613 -7.256 33 HE2 PHE 5 HE2 PHE 5 -6.728 0.799 -8.584 34 HZ PHE 5 HZ PHE 5 -6.683 3.253 -8.831 35 H LYS 6 H LYS 6 -4.200 -1.906 -3.859 36 HA LYS 6 HA LYS 6 -6.283 -2.959 -5.542 37 1HB LYS 6 2HB LYS 6 -3.882 -3.936 -4.210 38 2HB LYS 6 3HB LYS 6 -5.196 -5.086 -3.952 39 1HG LYS 6 2HG LYS 6 -5.620 -5.091 -6.423 40 2HG LYS 6 3HG LYS 6 -4.285 -3.933 -6.622 41 1HD LYS 6 2HD LYS 6 -2.891 -5.756 -5.308 42 2HD LYS 6 3HD LYS 6 -4.183 -6.855 -5.822 43 1HE LYS 6 2HE LYS 6 -3.654 -6.653 -8.082 44 2HE LYS 6 3HE LYS 6 -2.966 -5.036 -7.899 45 1HZ LYS 6 1HZ LYS 6 -1.453 -7.203 -8.135 46 2HZ LYS 6 2HZ LYS 6 -0.962 -5.857 -7.327 47 3HZ LYS 6 3HZ LYS 6 -1.562 -7.141 -6.490 48 H GLU 7 H GLU 7 -6.114 -2.425 -2.099 49 HA GLU 7 HA GLU 7 -8.481 -4.013 -1.580 50 1HB GLU 7 2HB GLU 7 -6.681 -2.206 0.051 51 2HB GLU 7 3HB GLU 7 -8.292 -2.613 0.662 52 1HG GLU 7 2HG GLU 7 -7.775 -5.048 0.360 53 2HG GLU 7 3HG GLU 7 -6.128 -4.614 -0.114 54 H CYS 8 H CYS 8 -7.722 -0.644 -2.370 55 HA CYS 8 HA CYS 8 -10.398 0.289 -1.625 56 1HB CYS 8 2HB CYS 8 -7.994 1.553 -2.028 57 2HB CYS 8 3HB CYS 8 -8.719 1.733 -3.617 58 H TYR 9 H TYR 9 -8.665 -0.647 -4.620 59 HA TYR 9 HA TYR 9 -10.802 -0.141 -6.412 60 1HB TYR 9 2HB TYR 9 -8.271 -0.710 -6.779 61 2HB TYR 9 3HB TYR 9 -8.726 -2.389 -6.581 62 HD1 TYR 9 HD1 TYR 9 -10.279 -3.489 -8.252 63 HD2 TYR 9 HD2 TYR 9 -8.764 0.524 -8.781 64 HE1 TYR 9 HE1 TYR 9 -10.781 -3.600 -10.669 65 HE2 TYR 9 HE2 TYR 9 -9.251 0.325 -11.220 66 HH TYR 9 HH TYR 9 -9.924 -2.394 -12.827 67 H ASP 10 H ASP 10 -9.801 -3.209 -4.811 68 HA ASP 10 HA ASP 10 -11.903 -4.773 -5.893 69 1HB ASP 10 2HB ASP 10 -9.718 -5.413 -4.491 70 2HB ASP 10 3HB ASP 10 -10.787 -5.278 -3.108 71 H THR 11 H THR 11 -11.563 -3.173 -2.686 72 HA THR 11 HA THR 11 -14.150 -3.828 -1.746 73 HB THR 11 HB THR 11 -12.339 -1.519 -0.973 74 HG1 THR 11 1HG THR 11 -12.663 -4.233 -0.108 75 1HG2 THR 11 1HG2 THR 11 -13.673 -1.072 0.747 76 2HG2 THR 11 2HG2 THR 11 -14.934 -2.060 -0.030 77 3HG2 THR 11 3HG2 THR 11 -13.851 -2.779 1.177 78 H CYS 12 H CYS 12 -12.922 -0.883 -3.404 79 HA CYS 12 HA CYS 12 -15.325 0.582 -3.346 80 1HB CYS 12 2HB CYS 12 -13.194 1.573 -4.000 81 2HB CYS 12 3HB CYS 12 -13.143 0.570 -5.470 82 H HIS 13 H HIS 13 -14.066 -1.860 -5.684 83 HA HIS 13 HA HIS 13 -16.171 -1.784 -7.522 84 1HB HIS 13 2HB HIS 13 -13.934 -3.245 -7.409 85 2HB HIS 13 3HB HIS 13 -15.038 -4.419 -6.758 86 HD1 HIS 13 HD1 HIS 13 -15.529 -5.975 -8.659 87 HD2 HIS 13 HD2 HIS 13 -15.310 -1.939 -9.825 88 HE1 HIS 13 HE1 HIS 13 -16.111 -5.922 -11.196 89 HE2 HIS 13 HE2 HIS 13 -15.995 -3.409 -11.893 90 H LYS 14 H LYS 14 -15.980 -3.450 -4.402 91 HA LYS 14 HA LYS 14 -18.449 -4.886 -4.606 92 1HB LYS 14 2HB LYS 14 -16.472 -4.298 -2.566 93 2HB LYS 14 3HB LYS 14 -18.062 -4.020 -1.866 94 1HG LYS 14 2HG LYS 14 -18.674 -6.230 -2.063 95 2HG LYS 14 3HG LYS 14 -17.671 -6.510 -3.509 96 1HD LYS 14 2HD LYS 14 -15.614 -6.358 -2.158 97 2HD LYS 14 3HD LYS 14 -16.596 -6.155 -0.686 98 1HE LYS 14 2HE LYS 14 -17.589 -8.339 -0.962 99 2HE LYS 14 3HE LYS 14 -16.892 -8.532 -2.577 100 1HZ LYS 14 1HZ LYS 14 -15.722 -9.480 -0.366 101 2HZ LYS 14 2HZ LYS 14 -14.873 -9.075 -1.723 102 3HZ LYS 14 3HZ LYS 14 -14.961 -8.024 -0.479 103 H GLU 15 H GLU 15 -18.038 -1.854 -2.708 104 HA GLU 15 HA GLU 15 -20.827 -1.334 -2.638 105 1HB GLU 15 2HB GLU 15 -18.829 -0.297 -1.300 106 2HB GLU 15 3HB GLU 15 -18.717 0.853 -2.637 107 1HG GLU 15 2HG GLU 15 -20.749 1.863 -2.135 108 2HG GLU 15 3HG GLU 15 -21.455 0.381 -1.490 109 H CYS 16 H CYS 16 -18.560 -0.943 -5.202 110 HA CYS 16 HA CYS 16 -20.016 1.019 -6.659 111 1HB CYS 16 2HB CYS 16 -17.604 0.608 -6.968 112 2HB CYS 16 3HB CYS 16 -17.975 -0.947 -7.720 113 H SER 17 H SER 17 -19.336 -2.392 -7.555 114 HA SER 17 HA SER 17 -21.377 -2.734 -9.417 115 1HB SER 17 2HB SER 17 -19.430 -4.386 -8.194 116 2HB SER 17 3HB SER 17 -20.970 -5.142 -7.805 117 HG SER 17 HG SER 17 -19.822 -5.574 -9.951 118 H ASP 18 H ASP 18 -21.567 -2.638 -5.879 119 HA ASP 18 HA ASP 18 -24.008 -3.894 -5.375 120 1HB ASP 18 2HB ASP 18 -22.821 -3.121 -3.485 121 2HB ASP 18 3HB ASP 18 -22.548 -1.556 -4.213 122 H LYS 19 H LYS 19 -23.314 -0.715 -6.874 123 HA LYS 19 HA LYS 19 -25.956 0.232 -6.765 124 1HB LYS 19 2HB LYS 19 -23.399 1.035 -8.022 125 2HB LYS 19 3HB LYS 19 -24.682 1.251 -9.106 126 1HG LYS 19 2HG LYS 19 -25.346 2.174 -6.346 127 2HG LYS 19 3HG LYS 19 -23.840 2.850 -6.898 128 1HD LYS 19 2HD LYS 19 -25.095 4.420 -7.927 129 2HD LYS 19 3HD LYS 19 -25.432 3.222 -9.164 130 1HE LYS 19 2HE LYS 19 -27.611 3.148 -8.622 131 2HE LYS 19 3HE LYS 19 -27.212 2.676 -6.972 132 1HZ LYS 19 1HZ LYS 19 -28.376 4.727 -6.868 133 2HZ LYS 19 2HZ LYS 19 -26.806 5.060 -6.508 134 3HZ LYS 19 3HZ LYS 19 -27.409 5.441 -8.001 135 H GLY 20 H GLY 20 -24.763 -2.380 -8.389 136 1HA GLY 20 2HA GLY 20 -25.867 -3.937 -9.660 137 2HA GLY 20 3HA GLY 20 -27.225 -2.804 -9.859 138 H ASN 21 H ASN 21 -24.017 -1.639 -10.495 139 HA ASN 21 HA ASN 21 -24.691 -1.226 -13.307 140 1HB ASN 21 2HB ASN 21 -22.819 -0.067 -11.360 141 2HB ASN 21 3HB ASN 21 -22.110 -0.297 -12.932 142 1HD2 ASN 21 1HD2 ASN 21 -23.103 2.076 -11.370 143 2HD2 ASN 21 2HD2 ASN 21 -24.061 2.954 -12.593 144 H GLY 22 H GLY 22 -22.570 -1.429 -14.726 145 1HA GLY 22 2HA GLY 22 -21.997 -4.314 -14.844 146 2HA GLY 22 3HA GLY 22 -21.444 -3.071 -16.002 147 H PHE 23 H PHE 23 -19.979 -5.277 -14.678 148 HA PHE 23 HA PHE 23 -18.269 -4.455 -12.661 149 1HB PHE 23 2HB PHE 23 -17.455 -6.144 -15.075 150 2HB PHE 23 3HB PHE 23 -16.830 -6.246 -13.443 151 HD1 PHE 23 HD1 PHE 23 -19.427 -7.254 -15.794 152 HD2 PHE 23 HD2 PHE 23 -18.329 -7.183 -11.624 153 HE1 PHE 23 HE1 PHE 23 -21.136 -8.995 -15.312 154 HE2 PHE 23 HE2 PHE 23 -20.041 -8.931 -11.148 155 HZ PHE 23 HZ PHE 23 -21.433 -9.833 -12.994 156 H THR 24 H THR 24 -17.514 -4.428 -16.172 157 HA THR 24 HA THR 24 -15.108 -3.125 -16.151 158 HB THR 24 HB THR 24 -17.341 -3.451 -18.080 159 HG1 THR 24 1HG THR 24 -15.320 -3.837 -19.316 160 1HG2 THR 24 1HG2 THR 24 -17.111 -1.086 -18.557 161 2HG2 THR 24 2HG2 THR 24 -15.338 -1.189 -18.417 162 3HG2 THR 24 3HG2 THR 24 -16.208 -1.942 -19.781 163 H PHE 25 H PHE 25 -18.221 -1.371 -16.636 164 HA PHE 25 HA PHE 25 -17.242 1.207 -16.396 165 1HB PHE 25 2HB PHE 25 -19.540 0.759 -17.020 166 2HB PHE 25 3HB PHE 25 -19.828 -0.139 -15.527 167 HD1 PHE 25 HD1 PHE 25 -20.555 0.917 -13.539 168 HD2 PHE 25 HD2 PHE 25 -19.147 3.298 -16.826 169 HE1 PHE 25 HE1 PHE 25 -21.385 2.980 -12.410 170 HE2 PHE 25 HE2 PHE 25 -20.019 5.351 -15.711 171 HZ PHE 25 HZ PHE 25 -21.176 5.175 -13.519 172 H CYS 26 H CYS 26 -18.311 -0.984 -13.729 173 HA CYS 26 HA CYS 26 -17.843 0.889 -11.703 174 1HB CYS 26 2HB CYS 26 -18.494 -1.979 -11.929 175 2HB CYS 26 3HB CYS 26 -17.405 -1.656 -10.625 176 H GLU 27 H GLU 27 -15.704 -1.299 -13.455 177 HA GLU 27 HA GLU 27 -13.469 -1.083 -11.657 178 1HB GLU 27 2HB GLU 27 -14.148 -2.524 -14.152 179 2HB GLU 27 3HB GLU 27 -12.590 -1.723 -14.297 180 1HG GLU 27 2HG GLU 27 -12.326 -2.772 -11.838 181 2HG GLU 27 3HG GLU 27 -13.473 -3.911 -12.446 182 H MET 28 H MET 28 -13.858 0.109 -15.031 183 HA MET 28 HA MET 28 -11.743 1.885 -15.062 184 1HB MET 28 2HB MET 28 -14.451 1.744 -16.413 185 2HB MET 28 3HB MET 28 -13.608 3.286 -16.517 186 1HG MET 28 2HG MET 28 -12.356 0.639 -17.301 187 2HG MET 28 3HG MET 28 -13.098 1.792 -18.425 188 1HE MET 28 1HE MET 28 -10.872 1.041 -19.349 189 2HE MET 28 2HE MET 28 -9.728 2.396 -19.541 190 3HE MET 28 3HE MET 28 -9.387 1.100 -18.363 191 H LYS 29 H LYS 29 -14.732 2.210 -13.336 192 HA LYS 29 HA LYS 29 -14.291 5.043 -12.755 193 1HB LYS 29 2HB LYS 29 -16.598 3.858 -13.078 194 2HB LYS 29 3HB LYS 29 -16.386 3.313 -11.409 195 1HG LYS 29 2HG LYS 29 -16.007 6.217 -12.262 196 2HG LYS 29 3HG LYS 29 -17.623 5.578 -12.000 197 1HD LYS 29 2HD LYS 29 -15.583 5.120 -9.814 198 2HD LYS 29 3HD LYS 29 -16.181 6.746 -10.044 199 1HE LYS 29 2HE LYS 29 -18.473 5.076 -10.170 200 2HE LYS 29 3HE LYS 29 -17.458 4.321 -8.933 201 1HZ LYS 29 1HZ LYS 29 -17.226 6.640 -7.995 202 2HZ LYS 29 2HZ LYS 29 -18.473 7.095 -8.970 203 3HZ LYS 29 3HZ LYS 29 -18.696 5.945 -7.793 204 H CYS 30 H CYS 30 -14.659 2.101 -10.705 205 HA CYS 30 HA CYS 30 -13.708 3.131 -8.317 206 1HB CYS 30 2HB CYS 30 -13.519 0.417 -9.628 207 2HB CYS 30 3HB CYS 30 -12.800 0.686 -8.060 208 H ASP 31 H ASP 31 -11.931 2.305 -11.249 209 HA ASP 31 HA ASP 31 -9.312 2.211 -10.259 210 1HB ASP 31 2HB ASP 31 -10.423 1.776 -12.716 211 2HB ASP 31 3HB ASP 31 -9.953 3.420 -12.982 212 H THR 32 H THR 32 -11.034 4.869 -11.888 213 HA THR 32 HA THR 32 -9.026 6.821 -11.070 214 HB THR 32 HB THR 32 -11.594 6.856 -12.654 215 HG1 THR 32 1HG THR 32 -10.068 6.862 -14.076 216 1HG2 THR 32 1HG2 THR 32 -10.283 9.254 -11.372 217 2HG2 THR 32 2HG2 THR 32 -10.979 9.398 -12.979 218 3HG2 THR 32 3HG2 THR 32 -12.016 8.914 -11.608 219 H ASP 33 H ASP 33 -11.955 5.572 -9.691 220 HA ASP 33 HA ASP 33 -12.795 7.674 -8.054 221 1HB ASP 33 2HB ASP 33 -14.065 5.551 -8.313 222 2HB ASP 33 3HB ASP 33 -12.773 4.702 -7.481 223 H CYS 34 H CYS 34 -10.874 4.834 -6.999 224 HA CYS 34 HA CYS 34 -9.709 6.517 -4.849 225 1HB CYS 34 2HB CYS 34 -10.789 4.082 -4.616 226 2HB CYS 34 3HB CYS 34 -9.183 3.563 -5.101 227 H SER 35 H SER 35 -8.188 7.710 -5.974 228 HA SER 35 HA SER 35 -5.678 6.501 -6.460 229 1HB SER 35 2HB SER 35 -5.410 6.476 -8.782 230 2HB SER 35 3HB SER 35 -6.999 5.775 -8.580 231 HG SER 35 HG SER 35 -6.357 8.388 -9.440 232 H VAL 36 H VAL 36 -4.282 8.014 -5.867 233 HA VAL 36 HA VAL 36 -5.117 10.736 -5.757 234 HB VAL 36 HB VAL 36 -2.301 9.887 -5.252 235 1HG1 VAL 36 1HG1 VAL 36 -3.968 12.193 -4.648 236 2HG1 VAL 36 2HG1 VAL 36 -3.446 11.461 -3.139 237 3HG1 VAL 36 3HG1 VAL 36 -2.237 11.940 -4.342 238 1HG2 VAL 36 1HG2 VAL 36 -4.708 8.999 -3.653 239 2HG2 VAL 36 2HG2 VAL 36 -3.254 8.087 -4.129 240 3HG2 VAL 36 3HG2 VAL 36 -3.163 9.288 -2.836 241 H LYS 37 H LYS 37 -2.923 12.187 -6.390 242 HA LYS 37 HA LYS 37 -2.197 11.544 -9.188 243 1HB LYS 37 2HB LYS 37 -2.794 13.821 -9.923 244 2HB LYS 37 3HB LYS 37 -4.194 12.874 -9.436 245 1HG LYS 37 2HG LYS 37 -4.817 14.429 -7.946 246 2HG LYS 37 3HG LYS 37 -3.300 14.288 -7.068 247 1HD LYS 37 2HD LYS 37 -2.213 15.933 -8.380 248 2HD LYS 37 3HD LYS 37 -3.519 15.954 -9.589 249 1HE LYS 37 2HE LYS 37 -5.094 16.778 -7.826 250 2HE LYS 37 3HE LYS 37 -3.742 16.830 -6.680 251 1HZ LYS 37 1HZ LYS 37 -2.651 18.275 -8.480 252 2HZ LYS 37 2HZ LYS 37 -4.167 18.484 -9.082 253 3HZ LYS 37 3HZ LYS 37 -3.815 18.978 -7.546 254 H ASP 38 H ASP 38 -0.258 12.337 -9.850 255 HA ASP 38 HA ASP 38 1.708 12.738 -7.867 256 1HB ASP 38 2HB ASP 38 1.759 12.152 -10.531 257 2HB ASP 38 3HB ASP 38 2.121 13.877 -10.622 258 H VAL 39 H VAL 39 3.098 14.685 -7.699 259 HA VAL 39 HA VAL 39 1.450 17.189 -7.766 260 HB VAL 39 HB VAL 39 1.949 16.308 -5.522 261 1HG1 VAL 39 1HG1 VAL 39 3.965 15.361 -5.180 262 2HG1 VAL 39 2HG1 VAL 39 4.717 16.165 -6.541 263 3HG1 VAL 39 3HG1 VAL 39 4.603 17.011 -5.000 264 1HG2 VAL 39 1HG2 VAL 39 2.199 18.960 -6.532 265 2HG2 VAL 39 2HG2 VAL 39 1.749 18.441 -4.896 266 3HG2 VAL 39 3HG2 VAL 39 3.443 18.790 -5.308 267 H LYS 40 H LYS 40 2.547 16.605 -10.090 268 HA LYS 40 HA LYS 40 4.048 18.773 -10.855 269 1HB LYS 40 2HB LYS 40 5.739 16.750 -9.506 270 2HB LYS 40 3HB LYS 40 6.339 17.051 -11.110 271 1HG LYS 40 2HG LYS 40 6.722 19.326 -10.778 272 2HG LYS 40 3HG LYS 40 5.599 19.462 -9.439 273 1HD LYS 40 2HD LYS 40 7.253 17.720 -8.254 274 2HD LYS 40 3HD LYS 40 8.387 18.358 -9.463 275 1HE LYS 40 2HE LYS 40 7.400 20.703 -8.554 276 2HE LYS 40 3HE LYS 40 6.965 19.714 -7.155 277 1HZ LYS 40 1HZ LYS 40 9.079 20.059 -6.514 278 2HZ LYS 40 2HZ LYS 40 9.525 19.002 -7.696 279 3HZ LYS 40 3HZ LYS 40 9.551 20.618 -8.003 280 H GLU 41 H GLU 41 5.152 15.528 -11.765 281 HA GLU 41 HA GLU 41 3.290 15.387 -13.958 282 1HB GLU 41 2HB GLU 41 5.655 16.899 -14.419 283 2HB GLU 41 3HB GLU 41 6.030 15.299 -15.053 284 1HG GLU 41 2HG GLU 41 3.665 15.446 -16.193 285 2HG GLU 41 3HG GLU 41 3.742 17.164 -15.793 286 H LYS 42 H LYS 42 3.443 13.385 -15.071 287 HA LYS 42 HA LYS 42 4.582 11.263 -13.343 288 1HB LYS 42 2HB LYS 42 2.193 11.242 -14.205 289 2HB LYS 42 3HB LYS 42 2.834 10.980 -15.836 290 1HG LYS 42 2HG LYS 42 3.732 8.860 -15.289 291 2HG LYS 42 3HG LYS 42 3.723 9.180 -13.552 292 1HD LYS 42 2HD LYS 42 1.559 8.627 -13.271 293 2HD LYS 42 3HD LYS 42 1.029 9.300 -14.819 294 1HE LYS 42 2HE LYS 42 1.256 7.361 -15.942 295 2HE LYS 42 3HE LYS 42 2.814 6.998 -15.205 296 1HZ LYS 42 1HZ LYS 42 1.551 6.371 -13.171 297 2HZ LYS 42 2HZ LYS 42 0.147 6.489 -14.024 298 3HZ LYS 42 3HZ LYS 42 1.290 5.374 -14.453 299 H LEU 43 H LEU 43 6.663 12.413 -14.085 300 HA LEU 43 HA LEU 43 7.802 12.213 -16.570 301 1HB LEU 43 2HB LEU 43 9.894 12.359 -15.559 302 2HB LEU 43 3HB LEU 43 8.816 13.086 -14.395 303 HG LEU 43 HG LEU 43 8.934 10.331 -13.627 304 1HD1 LEU 43 1HD1 LEU 43 11.345 9.930 -13.409 305 2HD1 LEU 43 2HD1 LEU 43 10.841 9.991 -15.105 306 3HD1 LEU 43 3HD1 LEU 43 11.688 11.375 -14.391 307 1HD2 LEU 43 1HD2 LEU 43 10.265 11.216 -11.718 308 2HD2 LEU 43 2HD2 LEU 43 10.262 12.805 -12.530 309 3HD2 LEU 43 3HD2 LEU 43 8.732 12.040 -12.043 310 H GLU 44 H GLU 44 9.176 10.657 -17.637 311 HA GLU 44 HA GLU 44 8.691 7.838 -16.827 312 1HB GLU 44 2HB GLU 44 7.235 9.084 -18.865 313 2HB GLU 44 3HB GLU 44 8.500 8.287 -19.747 314 1HG GLU 44 2HG GLU 44 7.218 6.438 -19.611 315 2HG GLU 44 3HG GLU 44 7.909 6.259 -18.018 316 H ASN 45 H ASN 45 10.797 7.874 -16.081 317 HA ASN 45 HA ASN 45 13.083 8.644 -17.519 318 1HB ASN 45 2HB ASN 45 12.513 6.504 -15.457 319 2HB ASN 45 3HB ASN 45 14.066 6.459 -16.263 320 1HD2 ASN 45 1HD2 ASN 45 12.579 7.599 -13.619 321 2HD2 ASN 45 2HD2 ASN 45 13.674 8.941 -13.267 322 H TYR 46 H TYR 46 14.763 7.067 -18.433 323 HA TYR 46 HA TYR 46 13.509 4.954 -20.090 324 1HB TYR 46 2HB TYR 46 14.510 5.911 -22.076 325 2HB TYR 46 3HB TYR 46 13.489 7.131 -21.324 326 HD1 TYR 46 HD1 TYR 46 16.717 6.463 -22.643 327 HD2 TYR 46 HD2 TYR 46 14.689 8.869 -19.707 328 HE1 TYR 46 HE1 TYR 46 18.696 8.043 -22.525 329 HE2 TYR 46 HE2 TYR 46 16.639 10.406 -19.612 330 HH TYR 46 HH TYR 46 19.031 10.398 -20.105 331 H LYS 47 H LYS 47 14.913 3.369 -20.763 332 HA LYS 47 HA LYS 47 17.687 3.548 -19.716 333 1HB LYS 47 2HB LYS 47 16.060 2.231 -18.233 334 2HB LYS 47 3HB LYS 47 16.125 0.974 -19.472 335 1HG LYS 47 2HG LYS 47 18.724 2.199 -18.465 336 2HG LYS 47 3HG LYS 47 17.870 1.072 -17.415 337 1HD LYS 47 2HD LYS 47 18.008 -0.706 -19.014 338 2HD LYS 47 3HD LYS 47 18.520 0.384 -20.307 339 1HE LYS 47 2HE LYS 47 20.572 0.937 -18.876 340 2HE LYS 47 3HE LYS 47 20.124 -0.477 -17.901 341 1HZ LYS 47 1HZ LYS 47 20.866 -0.370 -20.771 342 2HZ LYS 47 2HZ LYS 47 21.603 -1.229 -19.583 343 3HZ LYS 47 3HZ LYS 47 20.108 -1.689 -20.116 344 HA PRO 48 HA PRO 48 17.739 2.439 -24.120 345 1HB PRO 48 2HB PRO 48 20.010 3.964 -24.729 346 2HB PRO 48 3HB PRO 48 18.312 4.520 -24.843 347 1HG PRO 48 2HG PRO 48 20.373 5.229 -22.822 348 2HG PRO 48 3HG PRO 48 18.871 6.063 -23.286 349 1HD PRO 48 2HD PRO 48 19.339 4.395 -20.986 350 2HD PRO 48 3HD PRO 48 17.812 5.139 -21.448 351 H LYS 49 H LYS 49 18.939 0.883 -25.058 352 HA LYS 49 HA LYS 49 20.417 -0.910 -23.534 353 1HB LYS 49 2HB LYS 49 19.943 -0.467 -26.444 354 2HB LYS 49 3HB LYS 49 21.488 -1.229 -26.098 355 1HG LYS 49 2HG LYS 49 19.982 -2.758 -24.462 356 2HG LYS 49 3HG LYS 49 18.717 -2.238 -25.578 357 1HD LYS 49 2HD LYS 49 20.826 -2.966 -27.296 358 2HD LYS 49 3HD LYS 49 21.045 -4.067 -25.940 359 1HE LYS 49 2HE LYS 49 18.217 -3.919 -26.594 360 2HE LYS 49 3HE LYS 49 19.114 -4.132 -28.098 361 1HZ LYS 49 1HZ LYS 49 18.524 -6.246 -26.971 362 2HZ LYS 49 2HZ LYS 49 20.150 -6.078 -27.189 363 3HZ LYS 49 3HZ LYS 49 19.491 -5.833 -25.701 364 H ASN 50 H ASN 50 22.154 0.980 -26.055 365 HA ASN 50 HA ASN 50 24.212 1.653 -24.081 366 1HB ASN 50 2HB ASN 50 25.929 0.950 -25.565 367 2HB ASN 50 3HB ASN 50 24.832 -0.436 -25.486 368 1HD2 ASN 50 1HD2 ASN 50 26.761 0.387 -27.540 369 2HD2 ASN 50 2HD2 ASN 50 25.802 0.549 -29.024 Start of MODEL 8 1 1H ASP 1 H1 ASP 1 1.462 -0.867 0.457 2 2H ASP 1 H2 ASP 1 0.325 0.193 -0.157 3 3H ASP 1 H3 ASP 1 1.660 0.743 0.650 4 HA ASP 1 HA ASP 1 1.429 0.207 -2.084 5 1HB ASP 1 2HB ASP 1 4.074 0.770 -1.767 6 2HB ASP 1 3HB ASP 1 2.803 1.986 -1.862 7 H GLU 2 H GLU 2 3.133 -0.943 -3.364 8 HA GLU 2 HA GLU 2 4.144 -2.819 -4.001 9 1HB GLU 2 2HB GLU 2 5.189 -2.303 -1.332 10 2HB GLU 2 3HB GLU 2 5.043 -4.032 -1.565 11 1HG GLU 2 2HG GLU 2 7.090 -3.784 -2.455 12 2HG GLU 2 3HG GLU 2 6.175 -3.474 -3.930 13 H ALA 3 H ALA 3 2.796 -3.754 -0.854 14 HA ALA 3 HA ALA 3 1.972 -6.332 -1.533 15 1HB ALA 3 1HB ALA 3 1.449 -6.318 0.658 16 2HB ALA 3 2HB ALA 3 1.666 -4.545 0.716 17 3HB ALA 3 3HB ALA 3 0.081 -5.242 0.344 18 H GLN 4 H GLN 4 0.012 -3.335 -1.558 19 HA GLN 4 HA GLN 4 -2.362 -4.323 -2.549 20 1HB GLN 4 2HB GLN 4 -0.915 -1.716 -2.726 21 2HB GLN 4 3HB GLN 4 -2.009 -2.000 -4.069 22 1HG GLN 4 2HG GLN 4 -3.723 -2.724 -2.154 23 2HG GLN 4 3HG GLN 4 -2.662 -1.739 -1.134 24 1HE2 GLN 4 1HE2 GLN 4 -4.710 -1.791 -4.044 25 2HE2 GLN 4 2HE2 GLN 4 -4.974 -0.044 -4.061 26 H PHE 5 H PHE 5 0.629 -4.117 -4.334 27 HA PHE 5 HA PHE 5 -0.591 -4.810 -6.939 28 1HB PHE 5 2HB PHE 5 1.379 -3.130 -6.527 29 2HB PHE 5 3HB PHE 5 2.340 -4.542 -6.110 30 HD1 PHE 5 HD1 PHE 5 0.915 -2.643 -8.782 31 HD2 PHE 5 HD2 PHE 5 2.766 -6.408 -7.744 32 HE1 PHE 5 HE1 PHE 5 1.519 -3.014 -11.131 33 HE2 PHE 5 HE2 PHE 5 3.312 -6.788 -10.128 34 HZ PHE 5 HZ PHE 5 2.634 -5.140 -11.834 35 H LYS 6 H LYS 6 1.607 -6.149 -4.393 36 HA LYS 6 HA LYS 6 2.179 -8.637 -5.670 37 1HB LYS 6 2HB LYS 6 3.199 -9.215 -3.718 38 2HB LYS 6 3HB LYS 6 3.031 -7.507 -3.383 39 1HG LYS 6 2HG LYS 6 2.199 -8.393 -1.405 40 2HG LYS 6 3HG LYS 6 0.704 -8.299 -2.281 41 1HD LYS 6 2HD LYS 6 1.229 -10.761 -3.040 42 2HD LYS 6 3HD LYS 6 2.413 -10.699 -1.743 43 1HE LYS 6 2HE LYS 6 -0.056 -9.587 -0.731 44 2HE LYS 6 3HE LYS 6 -0.503 -11.018 -1.657 45 1HZ LYS 6 1HZ LYS 6 0.141 -11.369 0.762 46 2HZ LYS 6 2HZ LYS 6 0.840 -12.359 -0.352 47 3HZ LYS 6 3HZ LYS 6 1.704 -11.108 0.281 48 H GLU 7 H GLU 7 -0.677 -7.521 -4.013 49 HA GLU 7 HA GLU 7 -1.885 -10.154 -3.938 50 1HB GLU 7 2HB GLU 7 -2.609 -7.420 -3.015 51 2HB GLU 7 3HB GLU 7 -3.971 -8.350 -3.652 52 1HG GLU 7 2HG GLU 7 -3.244 -10.282 -2.165 53 2HG GLU 7 3HG GLU 7 -2.113 -9.162 -1.393 54 H CYS 8 H CYS 8 -1.855 -7.398 -6.142 55 HA CYS 8 HA CYS 8 -4.083 -8.423 -7.743 56 1HB CYS 8 2HB CYS 8 -2.877 -5.977 -7.499 57 2HB CYS 8 3HB CYS 8 -2.008 -6.602 -8.878 58 H TYR 9 H TYR 9 -0.488 -8.443 -7.887 59 HA TYR 9 HA TYR 9 -0.279 -9.879 -10.321 60 1HB TYR 9 2HB TYR 9 1.483 -8.624 -8.848 61 2HB TYR 9 3HB TYR 9 1.567 -10.083 -7.887 62 HD1 TYR 9 HD1 TYR 9 2.439 -12.229 -8.901 63 HD2 TYR 9 HD2 TYR 9 2.467 -8.467 -11.030 64 HE1 TYR 9 HE1 TYR 9 4.179 -13.083 -10.417 65 HE2 TYR 9 HE2 TYR 9 4.256 -9.352 -12.511 66 HH TYR 9 HH TYR 9 5.221 -11.150 -13.299 67 H ASP 10 H ASP 10 -0.175 -11.094 -6.941 68 HA ASP 10 HA ASP 10 0.030 -13.845 -7.635 69 1HB ASP 10 2HB ASP 10 0.222 -12.545 -5.311 70 2HB ASP 10 3HB ASP 10 -1.484 -12.922 -5.159 71 H THR 11 H THR 11 -2.794 -11.886 -6.736 72 HA THR 11 HA THR 11 -4.757 -13.922 -7.098 73 HB THR 11 HB THR 11 -5.098 -10.911 -7.220 74 HG1 THR 11 1HG THR 11 -4.307 -11.370 -5.313 75 1HG2 THR 11 1HG2 THR 11 -7.323 -11.138 -6.991 76 2HG2 THR 11 2HG2 THR 11 -7.077 -12.673 -7.846 77 3HG2 THR 11 3HG2 THR 11 -7.209 -12.657 -6.073 78 H CYS 12 H CYS 12 -3.601 -11.309 -9.294 79 HA CYS 12 HA CYS 12 -5.310 -11.887 -11.480 80 1HB CYS 12 2HB CYS 12 -3.954 -9.842 -11.326 81 2HB CYS 12 3HB CYS 12 -2.474 -10.787 -11.550 82 H HIS 13 H HIS 13 -2.060 -13.170 -10.536 83 HA HIS 13 HA HIS 13 -1.672 -14.903 -12.696 84 1HB HIS 13 2HB HIS 13 -0.191 -14.385 -10.535 85 2HB HIS 13 3HB HIS 13 -0.961 -15.841 -9.964 86 HD1 HIS 13 HD1 HIS 13 0.059 -18.030 -10.838 87 HD2 HIS 13 HD2 HIS 13 1.265 -14.562 -12.920 88 HE1 HIS 13 HE1 HIS 13 1.908 -18.759 -12.447 89 HE2 HIS 13 HE2 HIS 13 2.669 -16.619 -13.729 90 H LYS 14 H LYS 14 -3.625 -15.384 -9.786 91 HA LYS 14 HA LYS 14 -4.344 -18.112 -10.276 92 1HB LYS 14 2HB LYS 14 -5.104 -15.990 -8.451 93 2HB LYS 14 3HB LYS 14 -6.575 -16.681 -9.086 94 1HG LYS 14 2HG LYS 14 -4.373 -18.565 -8.200 95 2HG LYS 14 3HG LYS 14 -5.182 -17.601 -6.973 96 1HD LYS 14 2HD LYS 14 -7.348 -18.552 -8.487 97 2HD LYS 14 3HD LYS 14 -6.208 -19.880 -8.601 98 1HE LYS 14 2HE LYS 14 -6.748 -20.517 -6.516 99 2HE LYS 14 3HE LYS 14 -6.138 -18.988 -5.874 100 1HZ LYS 14 1HZ LYS 14 -8.222 -18.064 -5.869 101 2HZ LYS 14 2HZ LYS 14 -8.797 -18.997 -7.090 102 3HZ LYS 14 3HZ LYS 14 -8.643 -19.632 -5.580 103 H GLU 15 H GLU 15 -6.503 -15.319 -10.964 104 HA GLU 15 HA GLU 15 -8.185 -16.814 -12.751 105 1HB GLU 15 2HB GLU 15 -8.690 -14.582 -11.611 106 2HB GLU 15 3HB GLU 15 -7.642 -13.821 -12.819 107 1HG GLU 15 2HG GLU 15 -9.115 -14.800 -14.630 108 2HG GLU 15 3HG GLU 15 -10.145 -15.486 -13.374 109 H CYS 16 H CYS 16 -5.037 -15.454 -13.213 110 HA CYS 16 HA CYS 16 -5.156 -15.332 -16.048 111 1HB CYS 16 2HB CYS 16 -3.553 -14.054 -14.698 112 2HB CYS 16 3HB CYS 16 -2.697 -15.548 -14.300 113 H SER 17 H SER 17 -3.170 -17.480 -13.974 114 HA SER 17 HA SER 17 -2.582 -19.462 -15.870 115 1HB SER 17 2HB SER 17 -2.130 -19.114 -13.105 116 2HB SER 17 3HB SER 17 -3.078 -20.586 -13.203 117 HG SER 17 HG SER 17 -1.530 -21.490 -14.491 118 H ASP 18 H ASP 18 -5.600 -18.871 -14.123 119 HA ASP 18 HA ASP 18 -6.958 -21.327 -14.394 120 1HB ASP 18 2HB ASP 18 -8.069 -19.638 -13.172 121 2HB ASP 18 3HB ASP 18 -7.757 -18.445 -14.409 122 H LYS 19 H LYS 19 -6.246 -18.779 -16.839 123 HA LYS 19 HA LYS 19 -7.897 -19.857 -18.836 124 1HB LYS 19 2HB LYS 19 -5.808 -17.776 -18.607 125 2HB LYS 19 3HB LYS 19 -5.616 -18.647 -20.049 126 1HG LYS 19 2HG LYS 19 -8.467 -17.947 -19.485 127 2HG LYS 19 3HG LYS 19 -7.418 -16.550 -19.387 128 1HD LYS 19 2HD LYS 19 -7.800 -16.458 -21.635 129 2HD LYS 19 3HD LYS 19 -6.446 -17.589 -21.700 130 1HE LYS 19 2HE LYS 19 -8.279 -19.452 -21.412 131 2HE LYS 19 3HE LYS 19 -9.423 -18.165 -21.822 132 1HZ LYS 19 1HZ LYS 19 -7.985 -17.803 -23.845 133 2HZ LYS 19 2HZ LYS 19 -7.204 -19.209 -23.471 134 3HZ LYS 19 3HZ LYS 19 -8.804 -19.237 -23.841 135 H GLY 20 H GLY 20 -5.267 -21.230 -17.415 136 1HA GLY 20 2HA GLY 20 -4.288 -23.282 -17.739 137 2HA GLY 20 3HA GLY 20 -5.141 -23.445 -19.287 138 H ASN 21 H ASN 21 -3.334 -20.541 -18.650 139 HA ASN 21 HA ASN 21 -1.519 -21.130 -20.866 140 1HB ASN 21 2HB ASN 21 -2.463 -18.733 -19.447 141 2HB ASN 21 3HB ASN 21 -0.763 -18.682 -19.825 142 1HD2 ASN 21 1HD2 ASN 21 -3.249 -17.354 -20.937 143 2HD2 ASN 21 2HD2 ASN 21 -2.985 -17.548 -22.687 144 H GLY 22 H GLY 22 0.762 -20.136 -20.414 145 1HA GLY 22 2HA GLY 22 2.014 -21.889 -18.398 146 2HA GLY 22 3HA GLY 22 2.866 -20.802 -19.528 147 H PHE 23 H PHE 23 3.082 -21.265 -16.590 148 HA PHE 23 HA PHE 23 2.163 -19.179 -15.003 149 1HB PHE 23 2HB PHE 23 3.613 -21.242 -14.417 150 2HB PHE 23 3HB PHE 23 5.010 -20.315 -14.928 151 HD1 PHE 23 HD1 PHE 23 3.309 -21.358 -12.145 152 HD2 PHE 23 HD2 PHE 23 5.029 -17.703 -13.743 153 HE1 PHE 23 HE1 PHE 23 3.450 -20.371 -9.862 154 HE2 PHE 23 HE2 PHE 23 5.145 -16.794 -11.470 155 HZ PHE 23 HZ PHE 23 4.341 -18.064 -9.559 156 H THR 24 H THR 24 5.348 -19.215 -16.616 157 HA THR 24 HA THR 24 6.198 -16.637 -16.116 158 HB THR 24 HB THR 24 6.746 -18.682 -18.208 159 HG1 THR 24 1HG THR 24 8.411 -18.657 -16.902 160 1HG2 THR 24 1HG2 THR 24 6.625 -16.848 -19.803 161 2HG2 THR 24 2HG2 THR 24 7.447 -15.755 -18.662 162 3HG2 THR 24 3HG2 THR 24 8.316 -17.105 -19.427 163 H PHE 25 H PHE 25 4.514 -17.561 -19.159 164 HA PHE 25 HA PHE 25 4.076 -14.996 -20.137 165 1HB PHE 25 2HB PHE 25 3.564 -17.002 -21.418 166 2HB PHE 25 3HB PHE 25 2.403 -17.538 -20.203 167 HD1 PHE 25 HD1 PHE 25 0.132 -16.840 -20.223 168 HD2 PHE 25 HD2 PHE 25 3.000 -14.873 -22.754 169 HE1 PHE 25 HE1 PHE 25 -1.714 -15.683 -21.424 170 HE2 PHE 25 HE2 PHE 25 1.143 -13.753 -23.980 171 HZ PHE 25 HZ PHE 25 -1.223 -14.200 -23.325 172 H CYS 26 H CYS 26 1.987 -16.850 -17.840 173 HA CYS 26 HA CYS 26 0.050 -14.854 -17.616 174 1HB CYS 26 2HB CYS 26 0.760 -17.389 -16.274 175 2HB CYS 26 3HB CYS 26 0.169 -16.207 -15.151 176 H GLU 27 H GLU 27 3.181 -15.269 -16.062 177 HA GLU 27 HA GLU 27 2.800 -13.258 -14.034 178 1HB GLU 27 2HB GLU 27 4.894 -15.185 -14.862 179 2HB GLU 27 3HB GLU 27 5.552 -13.570 -14.620 180 1HG GLU 27 2HG GLU 27 3.980 -13.753 -12.439 181 2HG GLU 27 3HG GLU 27 4.201 -15.417 -12.712 182 H MET 28 H MET 28 5.017 -13.279 -16.855 183 HA MET 28 HA MET 28 5.621 -10.594 -16.904 184 1HB MET 28 2HB MET 28 5.794 -12.831 -18.741 185 2HB MET 28 3HB MET 28 5.120 -11.499 -19.649 186 1HG MET 28 2HG MET 28 7.207 -10.730 -19.909 187 2HG MET 28 3HG MET 28 7.201 -10.295 -18.203 188 1HE MET 28 1HE MET 28 10.446 -11.546 -17.686 189 2HE MET 28 2HE MET 28 10.378 -11.348 -19.458 190 3HE MET 28 3HE MET 28 9.495 -10.223 -18.393 191 H LYS 29 H LYS 29 2.608 -12.080 -17.795 192 HA LYS 29 HA LYS 29 1.557 -9.634 -19.016 193 1HB LYS 29 2HB LYS 29 0.962 -12.137 -19.690 194 2HB LYS 29 3HB LYS 29 -0.130 -12.043 -18.308 195 1HG LYS 29 2HG LYS 29 -1.400 -11.325 -20.202 196 2HG LYS 29 3HG LYS 29 -0.934 -9.806 -19.411 197 1HD LYS 29 2HD LYS 29 1.219 -10.057 -21.057 198 2HD LYS 29 3HD LYS 29 0.106 -11.097 -21.944 199 1HE LYS 29 2HE LYS 29 -1.553 -9.027 -21.616 200 2HE LYS 29 3HE LYS 29 -0.060 -8.141 -21.281 201 1HZ LYS 29 1HZ LYS 29 0.731 -9.202 -23.465 202 2HZ LYS 29 2HZ LYS 29 -0.862 -9.490 -23.770 203 3HZ LYS 29 3HZ LYS 29 -0.325 -7.943 -23.577 204 H CYS 30 H CYS 30 0.527 -11.639 -16.214 205 HA CYS 30 HA CYS 30 -1.214 -9.873 -14.987 206 1HB CYS 30 2HB CYS 30 0.786 -11.863 -13.904 207 2HB CYS 30 3HB CYS 30 -0.221 -10.922 -12.827 208 H ASP 31 H ASP 31 2.291 -9.710 -15.148 209 HA ASP 31 HA ASP 31 2.848 -7.774 -13.187 210 1HB ASP 31 2HB ASP 31 4.390 -9.243 -14.882 211 2HB ASP 31 3HB ASP 31 4.317 -7.809 -15.850 212 H THR 32 H THR 32 2.448 -7.343 -16.691 213 HA THR 32 HA THR 32 2.130 -4.450 -16.418 214 HB THR 32 HB THR 32 2.146 -6.428 -18.708 215 HG1 THR 32 1HG THR 32 3.463 -4.026 -18.025 216 1HG2 THR 32 1HG2 THR 32 0.331 -4.794 -19.304 217 2HG2 THR 32 2HG2 THR 32 1.472 -3.466 -18.988 218 3HG2 THR 32 3HG2 THR 32 1.773 -4.625 -20.314 219 H ASP 33 H ASP 33 -0.037 -7.191 -16.505 220 HA ASP 33 HA ASP 33 -2.432 -6.063 -17.361 221 1HB ASP 33 2HB ASP 33 -1.716 -8.536 -16.595 222 2HB ASP 33 3HB ASP 33 -2.429 -8.054 -15.072 223 H CYS 34 H CYS 34 -1.417 -6.665 -13.996 224 HA CYS 34 HA CYS 34 -3.269 -4.613 -12.989 225 1HB CYS 34 2HB CYS 34 -1.497 -6.719 -11.749 226 2HB CYS 34 3HB CYS 34 -2.041 -5.365 -10.776 227 H SER 35 H SER 35 -1.600 -3.432 -14.636 228 HA SER 35 HA SER 35 -0.272 -1.487 -12.945 229 1HB SER 35 2HB SER 35 1.377 -3.427 -13.206 230 2HB SER 35 3HB SER 35 1.624 -2.879 -14.860 231 HG SER 35 HG SER 35 2.952 -2.027 -13.027 232 H VAL 36 H VAL 36 -2.287 -0.882 -14.595 233 HA VAL 36 HA VAL 36 -1.554 -0.338 -17.286 234 HB VAL 36 HB VAL 36 -3.915 0.949 -15.991 235 1HG1 VAL 36 1HG1 VAL 36 -3.059 0.193 -18.732 236 2HG1 VAL 36 2HG1 VAL 36 -4.728 -0.229 -18.380 237 3HG1 VAL 36 3HG1 VAL 36 -4.205 1.441 -18.188 238 1HG2 VAL 36 1HG2 VAL 36 -4.377 -1.064 -15.018 239 2HG2 VAL 36 2HG2 VAL 36 -5.121 -1.364 -16.589 240 3HG2 VAL 36 3HG2 VAL 36 -3.522 -2.013 -16.255 241 H LYS 37 H LYS 37 -2.372 2.122 -17.859 242 HA LYS 37 HA LYS 37 -1.669 4.247 -16.174 243 1HB LYS 37 2HB LYS 37 0.691 2.857 -17.157 244 2HB LYS 37 3HB LYS 37 0.600 4.386 -18.004 245 1HG LYS 37 2HG LYS 37 0.074 5.335 -15.527 246 2HG LYS 37 3HG LYS 37 0.813 3.810 -15.034 247 1HD LYS 37 2HD LYS 37 2.581 4.723 -16.972 248 2HD LYS 37 3HD LYS 37 1.997 6.236 -16.273 249 1HE LYS 37 2HE LYS 37 3.190 5.937 -14.381 250 2HE LYS 37 3HE LYS 37 2.581 4.289 -14.161 251 1HZ LYS 37 1HZ LYS 37 5.071 4.554 -14.607 252 2HZ LYS 37 2HZ LYS 37 4.260 3.411 -15.471 253 3HZ LYS 37 3HZ LYS 37 4.646 4.841 -16.178 254 H ASP 38 H ASP 38 -3.028 5.660 -17.012 255 HA ASP 38 HA ASP 38 -4.242 5.742 -19.451 256 1HB ASP 38 2HB ASP 38 -4.315 7.353 -17.263 257 2HB ASP 38 3HB ASP 38 -3.337 8.379 -18.302 258 H VAL 39 H VAL 39 -3.584 6.091 -21.500 259 HA VAL 39 HA VAL 39 -1.333 7.839 -22.150 260 HB VAL 39 HB VAL 39 -1.117 4.824 -22.370 261 1HG1 VAL 39 1HG1 VAL 39 -0.560 5.124 -24.567 262 2HG1 VAL 39 2HG1 VAL 39 -0.063 6.816 -24.352 263 3HG1 VAL 39 3HG1 VAL 39 1.013 5.472 -23.908 264 1HG2 VAL 39 1HG2 VAL 39 1.416 5.771 -21.868 265 2HG2 VAL 39 2HG2 VAL 39 0.459 7.068 -21.171 266 3HG2 VAL 39 3HG2 VAL 39 0.229 5.401 -20.618 267 H LYS 40 H LYS 40 -3.144 8.892 -23.075 268 HA LYS 40 HA LYS 40 -3.388 8.701 -25.830 269 1HB LYS 40 2HB LYS 40 -5.807 7.772 -25.966 270 2HB LYS 40 3HB LYS 40 -4.495 6.635 -25.921 271 1HG LYS 40 2HG LYS 40 -4.926 5.966 -23.656 272 2HG LYS 40 3HG LYS 40 -5.776 7.431 -23.271 273 1HD LYS 40 2HD LYS 40 -6.896 5.646 -25.425 274 2HD LYS 40 3HD LYS 40 -6.916 5.056 -23.758 275 1HE LYS 40 2HE LYS 40 -8.819 6.224 -23.515 276 2HE LYS 40 3HE LYS 40 -7.757 7.623 -23.318 277 1HZ LYS 40 1HZ LYS 40 -8.444 6.887 -26.039 278 2HZ LYS 40 2HZ LYS 40 -9.647 7.572 -25.140 279 3HZ LYS 40 3HZ LYS 40 -8.225 8.382 -25.382 280 H GLU 41 H GLU 41 -3.594 10.802 -26.011 281 HA GLU 41 HA GLU 41 -5.028 12.493 -24.209 282 1HB GLU 41 2HB GLU 41 -3.803 12.755 -26.954 283 2HB GLU 41 3HB GLU 41 -4.948 13.992 -26.469 284 1HG GLU 41 2HG GLU 41 -2.831 13.222 -24.460 285 2HG GLU 41 3HG GLU 41 -2.340 14.164 -25.869 286 H LYS 42 H LYS 42 -6.782 13.940 -24.911 287 HA LYS 42 HA LYS 42 -9.076 12.220 -25.675 288 1HB LYS 42 2HB LYS 42 -9.009 13.980 -23.737 289 2HB LYS 42 3HB LYS 42 -9.211 15.175 -25.008 290 1HG LYS 42 2HG LYS 42 -11.124 13.146 -25.612 291 2HG LYS 42 3HG LYS 42 -11.152 13.263 -23.852 292 1HD LYS 42 2HD LYS 42 -11.744 15.607 -23.943 293 2HD LYS 42 3HD LYS 42 -11.310 15.717 -25.658 294 1HE LYS 42 2HE LYS 42 -13.604 15.592 -25.855 295 2HE LYS 42 3HE LYS 42 -13.122 13.922 -26.077 296 1HZ LYS 42 1HZ LYS 42 -14.501 13.483 -24.383 297 2HZ LYS 42 2HZ LYS 42 -13.426 14.215 -23.362 298 3HZ LYS 42 3HZ LYS 42 -14.681 15.075 -24.003 299 H LEU 43 H LEU 43 -7.897 11.981 -27.778 300 HA LEU 43 HA LEU 43 -7.599 13.831 -29.785 301 1HB LEU 43 2HB LEU 43 -7.778 12.091 -31.357 302 2HB LEU 43 3HB LEU 43 -7.134 11.350 -29.913 303 HG LEU 43 HG LEU 43 -8.665 9.834 -30.876 304 1HD1 LEU 43 1HD1 LEU 43 -8.765 9.959 -28.426 305 2HD1 LEU 43 2HD1 LEU 43 -10.127 11.071 -28.516 306 3HD1 LEU 43 3HD1 LEU 43 -10.333 9.448 -29.128 307 1HD2 LEU 43 1HD2 LEU 43 -11.220 11.200 -30.796 308 2HD2 LEU 43 2HD2 LEU 43 -10.088 12.051 -31.848 309 3HD2 LEU 43 3HD2 LEU 43 -10.434 10.355 -32.137 310 H GLU 44 H GLU 44 -8.867 15.171 -30.914 311 HA GLU 44 HA GLU 44 -11.569 14.763 -31.627 312 1HB GLU 44 2HB GLU 44 -12.219 14.920 -29.285 313 2HB GLU 44 3HB GLU 44 -11.210 16.352 -29.035 314 1HG GLU 44 2HG GLU 44 -12.697 17.647 -30.450 315 2HG GLU 44 3HG GLU 44 -13.567 16.190 -30.958 316 H ASN 45 H ASN 45 -9.230 17.167 -30.489 317 HA ASN 45 HA ASN 45 -10.008 19.427 -31.885 318 1HB ASN 45 2HB ASN 45 -7.630 20.044 -31.943 319 2HB ASN 45 3HB ASN 45 -8.057 19.405 -30.356 320 1HD2 ASN 45 1HD2 ASN 45 -5.404 19.581 -31.228 321 2HD2 ASN 45 2HD2 ASN 45 -4.857 17.904 -31.462 322 H TYR 46 H TYR 46 -9.521 20.336 -33.911 323 HA TYR 46 HA TYR 46 -8.287 18.675 -35.969 324 1HB TYR 46 2HB TYR 46 -11.129 18.519 -35.414 325 2HB TYR 46 3HB TYR 46 -10.931 19.342 -36.943 326 HD1 TYR 46 HD1 TYR 46 -11.333 16.214 -35.453 327 HD2 TYR 46 HD2 TYR 46 -9.070 18.172 -38.550 328 HE1 TYR 46 HE1 TYR 46 -11.033 14.027 -36.619 329 HE2 TYR 46 HE2 TYR 46 -8.732 15.968 -39.693 330 HH TYR 46 HH TYR 46 -8.740 13.536 -39.055 331 H LYS 47 H LYS 47 -7.728 19.842 -37.726 332 HA LYS 47 HA LYS 47 -7.995 22.772 -37.428 333 1HB LYS 47 2HB LYS 47 -6.273 22.906 -39.187 334 2HB LYS 47 3HB LYS 47 -5.749 21.977 -37.781 335 1HG LYS 47 2HG LYS 47 -6.041 19.879 -38.954 336 2HG LYS 47 3HG LYS 47 -6.915 20.664 -40.274 337 1HD LYS 47 2HD LYS 47 -4.529 22.072 -40.316 338 2HD LYS 47 3HD LYS 47 -4.006 20.477 -39.740 339 1HE LYS 47 2HE LYS 47 -5.613 19.665 -41.740 340 2HE LYS 47 3HE LYS 47 -5.322 21.296 -42.349 341 1HZ LYS 47 1HZ LYS 47 -3.180 20.765 -42.832 342 2HZ LYS 47 2HZ LYS 47 -2.953 19.897 -41.455 343 3HZ LYS 47 3HZ LYS 47 -3.676 19.193 -42.750 344 HA PRO 48 HA PRO 48 -11.025 23.102 -40.567 345 1HB PRO 48 2HB PRO 48 -10.464 25.643 -41.592 346 2HB PRO 48 3HB PRO 48 -11.346 25.297 -40.078 347 1HG PRO 48 2HG PRO 48 -8.576 26.314 -40.426 348 2HG PRO 48 3HG PRO 48 -9.662 26.422 -39.006 349 1HD PRO 48 2HD PRO 48 -7.495 24.622 -39.435 350 2HD PRO 48 3HD PRO 48 -8.634 24.650 -38.058 351 H LYS 49 H LYS 49 -11.357 23.426 -42.896 352 HA LYS 49 HA LYS 49 -8.995 22.454 -44.405 353 1HB LYS 49 2HB LYS 49 -11.358 21.186 -44.220 354 2HB LYS 49 3HB LYS 49 -11.814 22.306 -45.498 355 1HG LYS 49 2HG LYS 49 -9.148 21.069 -45.961 356 2HG LYS 49 3HG LYS 49 -10.396 19.852 -45.741 357 1HD LYS 49 2HD LYS 49 -11.658 20.622 -47.592 358 2HD LYS 49 3HD LYS 49 -10.859 22.181 -47.619 359 1HE LYS 49 2HE LYS 49 -8.860 20.075 -47.906 360 2HE LYS 49 3HE LYS 49 -10.170 19.804 -49.067 361 1HZ LYS 49 1HZ LYS 49 -9.886 22.207 -49.707 362 2HZ LYS 49 2HZ LYS 49 -8.681 22.364 -48.794 363 3HZ LYS 49 3HZ LYS 49 -8.537 21.306 -50.073 364 H ASN 50 H ASN 50 -8.997 23.152 -46.706 365 HA ASN 50 HA ASN 50 -9.435 26.103 -46.900 366 1HB ASN 50 2HB ASN 50 -7.505 24.287 -48.403 367 2HB ASN 50 3HB ASN 50 -7.681 26.024 -48.642 368 1HD2 ASN 50 1HD2 ASN 50 -5.300 24.547 -47.899 369 2HD2 ASN 50 2HD2 ASN 50 -4.852 25.243 -46.326 Start of MODEL 9 1 1H ASP 1 H1 ASP 1 1.361 1.096 0.535 2 2H ASP 1 H2 ASP 1 1.630 -0.521 0.800 3 3H ASP 1 H3 ASP 1 0.274 -0.011 0.023 4 HA ASP 1 HA ASP 1 2.776 -0.625 -1.123 5 1HB ASP 1 2HB ASP 1 1.115 0.287 -3.162 6 2HB ASP 1 3HB ASP 1 1.564 -1.343 -2.731 7 H GLU 2 H GLU 2 4.208 0.888 -0.340 8 HA GLU 2 HA GLU 2 3.939 3.575 -1.645 9 1HB GLU 2 2HB GLU 2 4.873 2.722 1.003 10 2HB GLU 2 3HB GLU 2 6.056 3.715 0.162 11 1HG GLU 2 2HG GLU 2 4.815 5.322 1.185 12 2HG GLU 2 3HG GLU 2 4.028 5.305 -0.376 13 H ALA 3 H ALA 3 6.124 0.855 -1.205 14 HA ALA 3 HA ALA 3 8.274 2.013 -2.695 15 1HB ALA 3 1HB ALA 3 8.531 0.085 -1.114 16 2HB ALA 3 2HB ALA 3 7.744 -0.949 -2.344 17 3HB ALA 3 3HB ALA 3 9.283 -0.150 -2.712 18 H GLN 4 H GLN 4 5.818 -0.367 -3.801 19 HA GLN 4 HA GLN 4 6.467 -0.617 -6.451 20 1HB GLN 4 2HB GLN 4 4.302 -1.379 -6.797 21 2HB GLN 4 3HB GLN 4 4.500 -1.573 -5.053 22 1HG GLN 4 2HG GLN 4 3.316 0.616 -4.720 23 2HG GLN 4 3HG GLN 4 3.073 0.730 -6.477 24 1HE2 GLN 4 1HE2 GLN 4 0.732 0.964 -5.636 25 2HE2 GLN 4 2HE2 GLN 4 -0.014 -0.588 -5.236 26 H PHE 5 H PHE 5 5.083 2.161 -4.964 27 HA PHE 5 HA PHE 5 4.654 3.707 -7.435 28 1HB PHE 5 2HB PHE 5 3.061 3.695 -5.381 29 2HB PHE 5 3HB PHE 5 4.328 4.575 -4.530 30 HD1 PHE 5 HD1 PHE 5 1.631 4.754 -6.884 31 HD2 PHE 5 HD2 PHE 5 5.141 6.873 -5.505 32 HE1 PHE 5 HE1 PHE 5 0.722 6.889 -7.756 33 HE2 PHE 5 HE2 PHE 5 4.244 8.962 -6.481 34 HZ PHE 5 HZ PHE 5 2.079 8.945 -7.675 35 H LYS 6 H LYS 6 6.641 3.918 -4.473 36 HA LYS 6 HA LYS 6 8.182 6.174 -5.222 37 1HB LYS 6 2HB LYS 6 9.454 5.750 -3.399 38 2HB LYS 6 3HB LYS 6 8.177 4.646 -3.014 39 1HG LYS 6 2HG LYS 6 10.060 3.386 -2.594 40 2HG LYS 6 3HG LYS 6 9.670 2.817 -4.195 41 1HD LYS 6 2HD LYS 6 11.685 3.386 -4.945 42 2HD LYS 6 3HD LYS 6 11.333 5.086 -4.595 43 1HE LYS 6 2HE LYS 6 11.887 4.390 -2.117 44 2HE LYS 6 3HE LYS 6 12.694 3.004 -2.875 45 1HZ LYS 6 1HZ LYS 6 13.177 5.881 -3.469 46 2HZ LYS 6 2HZ LYS 6 14.242 4.899 -2.677 47 3HZ LYS 6 3HZ LYS 6 13.899 4.665 -4.277 48 H GLU 7 H GLU 7 8.484 2.887 -6.258 49 HA GLU 7 HA GLU 7 10.922 3.300 -7.789 50 1HB GLU 7 2HB GLU 7 8.937 1.015 -7.537 51 2HB GLU 7 3HB GLU 7 10.135 1.030 -8.840 52 1HG GLU 7 2HG GLU 7 11.980 1.088 -7.340 53 2HG GLU 7 3HG GLU 7 10.947 1.379 -5.936 54 H CYS 8 H CYS 8 7.456 3.394 -8.475 55 HA CYS 8 HA CYS 8 7.886 3.713 -11.358 56 1HB CYS 8 2HB CYS 8 5.661 3.075 -9.865 57 2HB CYS 8 3HB CYS 8 5.479 4.814 -9.992 58 H TYR 9 H TYR 9 7.281 5.898 -8.603 59 HA TYR 9 HA TYR 9 7.403 8.323 -10.047 60 1HB TYR 9 2HB TYR 9 6.704 7.824 -7.606 61 2HB TYR 9 3HB TYR 9 8.395 7.891 -7.182 62 HD1 TYR 9 HD1 TYR 9 9.666 10.107 -7.465 63 HD2 TYR 9 HD2 TYR 9 5.409 9.746 -8.149 64 HE1 TYR 9 HE1 TYR 9 9.400 12.509 -7.040 65 HE2 TYR 9 HE2 TYR 9 5.157 12.129 -7.614 66 HH TYR 9 HH TYR 9 6.046 13.941 -6.890 67 H ASP 10 H ASP 10 10.056 6.762 -8.247 68 HA ASP 10 HA ASP 10 12.105 8.618 -8.993 69 1HB ASP 10 2HB ASP 10 12.077 6.684 -7.195 70 2HB ASP 10 3HB ASP 10 12.660 5.654 -8.484 71 H THR 11 H THR 11 11.304 5.472 -10.369 72 HA THR 11 HA THR 11 13.160 5.557 -12.572 73 HB THR 11 HB THR 11 10.677 3.849 -12.254 74 HG1 THR 11 1HG THR 11 11.900 2.568 -11.219 75 1HG2 THR 11 1HG2 THR 11 12.721 3.897 -14.420 76 2HG2 THR 11 2HG2 THR 11 12.339 2.307 -13.735 77 3HG2 THR 11 3HG2 THR 11 11.042 3.309 -14.401 78 H CYS 12 H CYS 12 9.636 6.387 -12.417 79 HA CYS 12 HA CYS 12 9.407 7.169 -15.179 80 1HB CYS 12 2HB CYS 12 7.446 6.822 -13.618 81 2HB CYS 12 3HB CYS 12 7.880 8.350 -12.833 82 H HIS 13 H HIS 13 10.397 8.961 -12.186 83 HA HIS 13 HA HIS 13 10.879 11.458 -13.411 84 1HB HIS 13 2HB HIS 13 11.124 10.693 -10.876 85 2HB HIS 13 3HB HIS 13 12.787 10.483 -11.337 86 HD1 HIS 13 HD1 HIS 13 14.153 12.735 -11.544 87 HD2 HIS 13 HD2 HIS 13 9.979 13.120 -11.151 88 HE1 HIS 13 HE1 HIS 13 13.698 15.230 -11.118 89 HE2 HIS 13 HE2 HIS 13 11.120 15.459 -10.824 90 H LYS 14 H LYS 14 12.912 8.658 -13.439 91 HA LYS 14 HA LYS 14 15.230 9.795 -14.751 92 1HB LYS 14 2HB LYS 14 14.346 7.204 -13.877 93 2HB LYS 14 3HB LYS 14 14.895 7.015 -15.542 94 1HG LYS 14 2HG LYS 14 17.079 7.650 -15.053 95 2HG LYS 14 3HG LYS 14 16.596 8.619 -13.658 96 1HD LYS 14 2HD LYS 14 15.794 6.084 -12.821 97 2HD LYS 14 3HD LYS 14 17.192 5.711 -13.840 98 1HE LYS 14 2HE LYS 14 17.974 7.979 -12.376 99 2HE LYS 14 3HE LYS 14 16.931 7.142 -11.224 100 1HZ LYS 14 1HZ LYS 14 18.335 5.278 -11.263 101 2HZ LYS 14 2HZ LYS 14 19.060 5.709 -12.682 102 3HZ LYS 14 3HZ LYS 14 19.406 6.526 -11.292 103 H GLU 15 H GLU 15 12.808 7.734 -16.373 104 HA GLU 15 HA GLU 15 13.455 8.702 -19.013 105 1HB GLU 15 2HB GLU 15 12.190 6.576 -18.213 106 2HB GLU 15 3HB GLU 15 10.755 7.603 -18.191 107 1HG GLU 15 2HG GLU 15 10.745 7.904 -20.500 108 2HG GLU 15 3HG GLU 15 12.483 7.664 -20.670 109 H CYS 16 H CYS 16 11.498 10.124 -16.577 110 HA CYS 16 HA CYS 16 10.167 11.993 -18.263 111 1HB CYS 16 2HB CYS 16 9.399 11.397 -16.030 112 2HB CYS 16 3HB CYS 16 10.739 12.281 -15.311 113 H SER 17 H SER 17 12.794 12.543 -15.913 114 HA SER 17 HA SER 17 13.570 15.200 -16.806 115 1HB SER 17 2HB SER 17 14.379 13.406 -14.752 116 2HB SER 17 3HB SER 17 15.797 13.676 -15.722 117 HG SER 17 HG SER 17 14.197 15.861 -14.933 118 H ASP 18 H ASP 18 14.396 11.993 -18.075 119 HA ASP 18 HA ASP 18 16.496 12.546 -19.912 120 1HB ASP 18 2HB ASP 18 15.768 10.308 -19.650 121 2HB ASP 18 3HB ASP 18 14.090 10.754 -19.906 122 H LYS 19 H LYS 19 12.952 13.323 -20.261 123 HA LYS 19 HA LYS 19 13.209 14.352 -22.851 124 1HB LYS 19 2HB LYS 19 11.199 14.347 -20.674 125 2HB LYS 19 3HB LYS 19 11.207 15.847 -21.489 126 1HG LYS 19 2HG LYS 19 11.324 13.519 -23.337 127 2HG LYS 19 3HG LYS 19 9.982 13.396 -22.198 128 1HD LYS 19 2HD LYS 19 8.960 15.348 -22.890 129 2HD LYS 19 3HD LYS 19 10.430 16.028 -23.619 130 1HE LYS 19 2HE LYS 19 9.393 13.418 -24.695 131 2HE LYS 19 3HE LYS 19 8.483 14.890 -25.083 132 1HZ LYS 19 1HZ LYS 19 11.344 14.343 -25.676 133 2HZ LYS 19 2HZ LYS 19 10.149 14.627 -26.772 134 3HZ LYS 19 3HZ LYS 19 10.702 15.842 -25.802 135 H GLY 20 H GLY 20 14.785 15.525 -20.248 136 1HA GLY 20 2HA GLY 20 16.128 17.295 -19.893 137 2HA GLY 20 3HA GLY 20 15.706 17.967 -21.476 138 H ASN 21 H ASN 21 13.269 17.188 -19.189 139 HA ASN 21 HA ASN 21 12.335 19.977 -19.009 140 1HB ASN 21 2HB ASN 21 11.139 17.311 -18.601 141 2HB ASN 21 3HB ASN 21 10.617 18.512 -17.446 142 1HD2 ASN 21 1HD2 ASN 21 9.354 17.184 -20.023 143 2HD2 ASN 21 2HD2 ASN 21 8.680 18.696 -20.703 144 H GLY 22 H GLY 22 11.466 20.609 -16.877 145 1HA GLY 22 2HA GLY 22 13.680 20.780 -14.928 146 2HA GLY 22 3HA GLY 22 12.075 21.498 -14.712 147 H PHE 23 H PHE 23 13.839 19.836 -12.993 148 HA PHE 23 HA PHE 23 12.912 17.267 -12.370 149 1HB PHE 23 2HB PHE 23 14.772 18.606 -11.227 150 2HB PHE 23 3HB PHE 23 13.548 19.405 -10.261 151 HD1 PHE 23 HD1 PHE 23 11.780 17.462 -8.985 152 HD2 PHE 23 HD2 PHE 23 15.948 16.967 -10.158 153 HE1 PHE 23 HE1 PHE 23 12.046 15.592 -7.447 154 HE2 PHE 23 HE2 PHE 23 16.116 15.059 -8.599 155 HZ PHE 23 HZ PHE 23 14.105 14.332 -7.290 156 H THR 24 H THR 24 11.637 20.181 -10.784 157 HA THR 24 HA THR 24 9.466 19.159 -9.400 158 HB THR 24 HB THR 24 10.127 21.839 -10.574 159 HG1 THR 24 1HG THR 24 9.457 22.198 -8.230 160 1HG2 THR 24 1HG2 THR 24 7.842 22.052 -11.111 161 2HG2 THR 24 2HG2 THR 24 7.295 21.249 -9.629 162 3HG2 THR 24 3HG2 THR 24 8.023 22.871 -9.578 163 H PHE 25 H PHE 25 9.229 20.576 -12.680 164 HA PHE 25 HA PHE 25 6.524 19.856 -13.204 165 1HB PHE 25 2HB PHE 25 7.711 21.367 -14.663 166 2HB PHE 25 3HB PHE 25 8.951 20.162 -15.011 167 HD1 PHE 25 HD1 PHE 25 8.640 18.416 -16.654 168 HD2 PHE 25 HD2 PHE 25 5.306 20.926 -15.512 169 HE1 PHE 25 HE1 PHE 25 7.357 17.586 -18.575 170 HE2 PHE 25 HE2 PHE 25 4.046 20.131 -17.481 171 HZ PHE 25 HZ PHE 25 5.087 18.500 -19.058 172 H CYS 26 H CYS 26 9.553 17.962 -13.900 173 HA CYS 26 HA CYS 26 8.173 15.737 -14.838 174 1HB CYS 26 2HB CYS 26 10.925 16.436 -13.954 175 2HB CYS 26 3HB CYS 26 10.532 14.783 -13.698 176 H GLU 27 H GLU 27 8.838 16.692 -11.521 177 HA GLU 27 HA GLU 27 8.094 14.194 -10.256 178 1HB GLU 27 2HB GLU 27 9.014 16.897 -9.483 179 2HB GLU 27 3HB GLU 27 7.678 16.341 -8.481 180 1HG GLU 27 2HG GLU 27 9.177 14.101 -8.478 181 2HG GLU 27 3HG GLU 27 10.418 15.246 -8.853 182 H MET 28 H MET 28 6.424 17.307 -10.172 183 HA MET 28 HA MET 28 3.862 16.491 -9.349 184 1HB MET 28 2HB MET 28 5.030 18.808 -10.824 185 2HB MET 28 3HB MET 28 3.354 18.506 -11.235 186 1HG MET 28 2HG MET 28 4.250 18.709 -8.354 187 2HG MET 28 3HG MET 28 3.751 20.090 -9.352 188 1HE MET 28 1HE MET 28 1.752 20.093 -6.950 189 2HE MET 28 2HE MET 28 1.843 21.032 -8.465 190 3HE MET 28 3HE MET 28 0.320 20.246 -7.998 191 H LYS 29 H LYS 29 5.268 16.159 -12.511 192 HA LYS 29 HA LYS 29 2.772 15.132 -13.689 193 1HB LYS 29 2HB LYS 29 4.630 16.447 -14.921 194 2HB LYS 29 3HB LYS 29 5.514 14.936 -14.976 195 1HG LYS 29 2HG LYS 29 2.607 15.331 -15.885 196 2HG LYS 29 3HG LYS 29 3.980 15.546 -16.975 197 1HD LYS 29 2HD LYS 29 4.622 13.102 -16.460 198 2HD LYS 29 3HD LYS 29 3.083 12.993 -15.591 199 1HE LYS 29 2HE LYS 29 2.207 12.285 -17.394 200 2HE LYS 29 3HE LYS 29 2.081 14.012 -17.791 201 1HZ LYS 29 1HZ LYS 29 3.533 13.643 -19.487 202 2HZ LYS 29 2HZ LYS 29 4.618 12.899 -18.472 203 3HZ LYS 29 3HZ LYS 29 3.442 12.014 -19.156 204 H CYS 30 H CYS 30 5.960 13.624 -13.069 205 HA CYS 30 HA CYS 30 5.347 10.905 -13.430 206 1HB CYS 30 2HB CYS 30 7.154 12.260 -11.416 207 2HB CYS 30 3HB CYS 30 7.121 10.515 -11.740 208 H ASP 31 H ASP 31 4.611 12.922 -10.678 209 HA ASP 31 HA ASP 31 3.589 11.073 -8.782 210 1HB ASP 31 2HB ASP 31 4.041 13.752 -8.825 211 2HB ASP 31 3HB ASP 31 2.350 13.823 -9.202 212 H THR 32 H THR 32 1.756 13.059 -11.018 213 HA THR 32 HA THR 32 -0.635 11.407 -10.709 214 HB THR 32 HB THR 32 0.069 13.848 -12.291 215 HG1 THR 32 1HG THR 32 -1.349 14.685 -11.006 216 1HG2 THR 32 1HG2 THR 32 -1.221 12.632 -13.990 217 2HG2 THR 32 2HG2 THR 32 -2.493 12.277 -12.796 218 3HG2 THR 32 3HG2 THR 32 -2.178 13.953 -13.306 219 H ASP 33 H ASP 33 2.050 11.262 -12.931 220 HA ASP 33 HA ASP 33 1.040 9.942 -15.202 221 1HB ASP 33 2HB ASP 33 3.333 10.934 -14.993 222 2HB ASP 33 3HB ASP 33 3.741 9.680 -13.836 223 H CYS 34 H CYS 34 2.844 8.464 -12.548 224 HA CYS 34 HA CYS 34 1.583 5.846 -13.115 225 1HB CYS 34 2HB CYS 34 4.122 6.270 -12.751 226 2HB CYS 34 3HB CYS 34 3.716 6.357 -11.036 227 H SER 35 H SER 35 -0.489 6.370 -12.363 228 HA SER 35 HA SER 35 -0.826 6.735 -9.382 229 1HB SER 35 2HB SER 35 -2.541 7.803 -11.623 230 2HB SER 35 3HB SER 35 -3.125 7.581 -9.956 231 HG SER 35 HG SER 35 -1.429 9.461 -11.004 232 H VAL 36 H VAL 36 -1.139 4.778 -8.599 233 HA VAL 36 HA VAL 36 -2.506 2.747 -10.057 234 HB VAL 36 HB VAL 36 -1.938 2.456 -7.143 235 1HG1 VAL 36 1HG1 VAL 36 -1.093 0.128 -8.402 236 2HG1 VAL 36 2HG1 VAL 36 -2.694 0.378 -7.734 237 3HG1 VAL 36 3HG1 VAL 36 -2.396 0.636 -9.467 238 1HG2 VAL 36 1HG2 VAL 36 0.184 2.742 -9.246 239 2HG2 VAL 36 2HG2 VAL 36 0.121 3.286 -7.558 240 3HG2 VAL 36 3HG2 VAL 36 0.433 1.594 -7.916 241 H LYS 37 H LYS 37 -4.093 1.522 -8.241 242 HA LYS 37 HA LYS 37 -6.139 3.419 -7.362 243 1HB LYS 37 2HB LYS 37 -6.463 2.033 -9.870 244 2HB LYS 37 3HB LYS 37 -7.502 1.205 -8.728 245 1HG LYS 37 2HG LYS 37 -8.089 3.820 -8.095 246 2HG LYS 37 3HG LYS 37 -7.586 4.030 -9.782 247 1HD LYS 37 2HD LYS 37 -9.297 2.407 -10.501 248 2HD LYS 37 3HD LYS 37 -9.638 1.999 -8.806 249 1HE LYS 37 2HE LYS 37 -11.227 3.522 -8.782 250 2HE LYS 37 3HE LYS 37 -9.943 4.726 -8.731 251 1HZ LYS 37 1HZ LYS 37 -11.813 4.280 -10.783 252 2HZ LYS 37 2HZ LYS 37 -10.656 5.452 -10.714 253 3HZ LYS 37 3HZ LYS 37 -10.315 4.001 -11.402 254 H ASP 38 H ASP 38 -8.079 1.658 -6.679 255 HA ASP 38 HA ASP 38 -6.839 0.196 -4.397 256 1HB ASP 38 2HB ASP 38 -8.849 2.184 -4.405 257 2HB ASP 38 3HB ASP 38 -9.750 0.674 -4.325 258 H VAL 39 H VAL 39 -7.323 -1.894 -4.180 259 HA VAL 39 HA VAL 39 -8.944 -3.357 -6.217 260 HB VAL 39 HB VAL 39 -6.564 -3.902 -6.154 261 1HG1 VAL 39 1HG1 VAL 39 -6.960 -5.017 -3.357 262 2HG1 VAL 39 2HG1 VAL 39 -5.518 -5.155 -4.376 263 3HG1 VAL 39 3HG1 VAL 39 -6.029 -3.575 -3.798 264 1HG2 VAL 39 1HG2 VAL 39 -7.589 -5.637 -7.135 265 2HG2 VAL 39 2HG2 VAL 39 -7.135 -6.519 -5.667 266 3HG2 VAL 39 3HG2 VAL 39 -8.767 -5.869 -5.839 267 H LYS 40 H LYS 40 -10.352 -2.023 -4.452 268 HA LYS 40 HA LYS 40 -11.052 -3.209 -2.053 269 1HB LYS 40 2HB LYS 40 -12.955 -2.057 -4.131 270 2HB LYS 40 3HB LYS 40 -13.453 -2.504 -2.503 271 1HG LYS 40 2HG LYS 40 -11.167 -0.827 -2.146 272 2HG LYS 40 3HG LYS 40 -12.100 -0.089 -3.451 273 1HD LYS 40 2HD LYS 40 -13.027 0.905 -1.547 274 2HD LYS 40 3HD LYS 40 -14.149 -0.440 -1.846 275 1HE LYS 40 2HE LYS 40 -12.521 -1.794 -0.277 276 2HE LYS 40 3HE LYS 40 -11.891 -0.221 0.200 277 1HZ LYS 40 1HZ LYS 40 -13.956 -1.374 1.415 278 2HZ LYS 40 2HZ LYS 40 -13.823 0.263 1.318 279 3HZ LYS 40 3HZ LYS 40 -14.793 -0.549 0.268 280 H GLU 41 H GLU 41 -12.410 -4.718 -1.263 281 HA GLU 41 HA GLU 41 -12.541 -7.122 -2.917 282 1HB GLU 41 2HB GLU 41 -12.599 -6.505 -0.005 283 2HB GLU 41 3HB GLU 41 -13.682 -7.813 -0.481 284 1HG GLU 41 2HG GLU 41 -11.765 -8.820 -1.809 285 2HG GLU 41 3HG GLU 41 -10.697 -7.632 -1.044 286 H LYS 42 H LYS 42 -14.605 -8.486 -2.227 287 HA LYS 42 HA LYS 42 -16.996 -6.963 -3.204 288 1HB LYS 42 2HB LYS 42 -16.108 -8.663 -4.779 289 2HB LYS 42 3HB LYS 42 -16.363 -9.919 -3.555 290 1HG LYS 42 2HG LYS 42 -18.668 -9.815 -3.699 291 2HG LYS 42 3HG LYS 42 -18.697 -8.127 -4.178 292 1HD LYS 42 2HD LYS 42 -17.408 -9.893 -6.221 293 2HD LYS 42 3HD LYS 42 -19.077 -10.313 -5.842 294 1HE LYS 42 2HE LYS 42 -19.576 -8.717 -7.393 295 2HE LYS 42 3HE LYS 42 -19.453 -7.682 -5.976 296 1HZ LYS 42 1HZ LYS 42 -18.016 -6.564 -7.328 297 2HZ LYS 42 2HZ LYS 42 -16.916 -7.664 -6.810 298 3HZ LYS 42 3HZ LYS 42 -17.658 -7.865 -8.260 299 H LEU 43 H LEU 43 -17.280 -6.259 -1.119 300 HA LEU 43 HA LEU 43 -17.691 -7.721 1.195 301 1HB LEU 43 2HB LEU 43 -18.841 -5.879 2.059 302 2HB LEU 43 3HB LEU 43 -17.806 -5.196 0.837 303 HG LEU 43 HG LEU 43 -20.078 -5.592 -0.664 304 1HD1 LEU 43 1HD1 LEU 43 -21.836 -4.501 1.253 305 2HD1 LEU 43 2HD1 LEU 43 -21.855 -6.130 0.585 306 3HD1 LEU 43 3HD1 LEU 43 -21.032 -5.810 2.100 307 1HD2 LEU 43 1HD2 LEU 43 -20.640 -3.086 0.244 308 2HD2 LEU 43 2HD2 LEU 43 -18.923 -3.254 0.645 309 3HD2 LEU 43 3HD2 LEU 43 -19.504 -3.535 -1.015 310 H GLU 44 H GLU 44 -19.448 -8.707 2.240 311 HA GLU 44 HA GLU 44 -21.224 -10.161 0.377 312 1HB GLU 44 2HB GLU 44 -21.450 -11.758 2.125 313 2HB GLU 44 3HB GLU 44 -19.732 -11.354 2.005 314 1HG GLU 44 2HG GLU 44 -20.278 -9.575 3.893 315 2HG GLU 44 3HG GLU 44 -21.768 -10.501 4.105 316 H ASN 45 H ASN 45 -23.391 -10.715 1.380 317 HA ASN 45 HA ASN 45 -24.605 -8.900 3.154 318 1HB ASN 45 2HB ASN 45 -24.302 -7.548 0.817 319 2HB ASN 45 3HB ASN 45 -25.768 -8.440 0.405 320 1HD2 ASN 45 1HD2 ASN 45 -27.750 -7.599 1.270 321 2HD2 ASN 45 2HD2 ASN 45 -27.627 -6.269 2.459 322 H TYR 46 H TYR 46 -26.724 -9.550 3.636 323 HA TYR 46 HA TYR 46 -27.815 -11.861 2.112 324 1HB TYR 46 2HB TYR 46 -26.337 -12.438 4.264 325 2HB TYR 46 3HB TYR 46 -27.826 -12.024 5.111 326 HD1 TYR 46 HD1 TYR 46 -26.824 -13.906 1.971 327 HD2 TYR 46 HD2 TYR 46 -28.997 -13.989 5.712 328 HE1 TYR 46 HE1 TYR 46 -27.558 -16.200 1.482 329 HE2 TYR 46 HE2 TYR 46 -29.716 -16.321 5.222 330 HH TYR 46 HH TYR 46 -28.846 -17.998 2.208 331 H LYS 47 H LYS 47 -29.949 -12.504 3.222 332 HA LYS 47 HA LYS 47 -31.436 -10.331 4.410 333 1HB LYS 47 2HB LYS 47 -31.295 -10.115 1.662 334 2HB LYS 47 3HB LYS 47 -32.815 -10.952 1.820 335 1HG LYS 47 2HG LYS 47 -32.154 -8.507 3.544 336 2HG LYS 47 3HG LYS 47 -32.633 -8.325 1.861 337 1HD LYS 47 2HD LYS 47 -34.707 -9.757 2.419 338 2HD LYS 47 3HD LYS 47 -34.236 -9.600 4.118 339 1HE LYS 47 2HE LYS 47 -35.772 -7.862 3.777 340 2HE LYS 47 3HE LYS 47 -34.195 -7.057 3.727 341 1HZ LYS 47 1HZ LYS 47 -35.181 -8.021 1.174 342 2HZ LYS 47 2HZ LYS 47 -36.085 -6.812 1.815 343 3HZ LYS 47 3HZ LYS 47 -34.482 -6.577 1.516 344 HA PRO 48 HA PRO 48 -32.849 -14.574 5.421 345 1HB PRO 48 2HB PRO 48 -33.003 -14.154 8.169 346 2HB PRO 48 3HB PRO 48 -31.601 -14.819 7.284 347 1HG PRO 48 2HG PRO 48 -31.881 -12.135 8.503 348 2HG PRO 48 3HG PRO 48 -30.411 -13.043 8.048 349 1HD PRO 48 2HD PRO 48 -31.729 -10.942 6.606 350 2HD PRO 48 3HD PRO 48 -30.273 -11.865 6.109 351 H LYS 49 H LYS 49 -34.951 -15.108 6.037 352 HA LYS 49 HA LYS 49 -37.111 -13.356 5.473 353 1HB LYS 49 2HB LYS 49 -38.544 -15.065 6.230 354 2HB LYS 49 3HB LYS 49 -37.185 -15.888 5.503 355 1HG LYS 49 2HG LYS 49 -36.637 -16.977 7.444 356 2HG LYS 49 3HG LYS 49 -36.698 -15.521 8.383 357 1HD LYS 49 2HD LYS 49 -39.381 -15.876 8.005 358 2HD LYS 49 3HD LYS 49 -38.831 -17.557 7.981 359 1HE LYS 49 2HE LYS 49 -38.335 -17.506 10.234 360 2HE LYS 49 3HE LYS 49 -37.610 -15.896 10.123 361 1HZ LYS 49 1HZ LYS 49 -40.545 -16.315 10.215 362 2HZ LYS 49 2HZ LYS 49 -39.596 -15.721 11.455 363 3HZ LYS 49 3HZ LYS 49 -39.772 -14.915 10.110 364 H ASN 50 H ASN 50 -38.805 -12.539 6.868 365 HA ASN 50 HA ASN 50 -37.767 -11.269 9.349 366 1HB ASN 50 2HB ASN 50 -38.797 -9.831 7.628 367 2HB ASN 50 3HB ASN 50 -40.303 -10.748 7.724 368 1HD2 ASN 50 1HD2 ASN 50 -38.060 -8.720 9.727 369 2HD2 ASN 50 2HD2 ASN 50 -39.418 -8.310 10.790 Start of MODEL 10 1 1H ASP 1 H1 ASP 1 0.627 0.679 -0.057 2 2H ASP 1 H2 ASP 1 1.918 0.090 0.795 3 3H ASP 1 H3 ASP 1 0.813 -0.960 0.108 4 HA ASP 1 HA ASP 1 3.130 0.098 -1.028 5 1HB ASP 1 2HB ASP 1 1.008 -1.318 -2.638 6 2HB ASP 1 3HB ASP 1 2.776 -1.478 -2.707 7 H GLU 2 H GLU 2 3.010 0.732 -3.493 8 HA GLU 2 HA GLU 2 2.494 2.227 -5.080 9 1HB GLU 2 2HB GLU 2 -0.121 1.402 -4.095 10 2HB GLU 2 3HB GLU 2 -0.160 3.109 -4.473 11 1HG GLU 2 2HG GLU 2 -0.704 2.213 -6.501 12 2HG GLU 2 3HG GLU 2 1.041 2.412 -6.699 13 H ALA 3 H ALA 3 0.757 3.387 -2.187 14 HA ALA 3 HA ALA 3 1.119 6.136 -2.482 15 1HB ALA 3 1HB ALA 3 -0.229 5.727 -0.674 16 2HB ALA 3 2HB ALA 3 0.689 4.275 -0.172 17 3HB ALA 3 3HB ALA 3 1.297 5.894 0.211 18 H GLN 4 H GLN 4 3.316 3.876 -0.746 19 HA GLN 4 HA GLN 4 5.328 5.609 -0.012 20 1HB GLN 4 2HB GLN 4 5.174 2.722 -0.806 21 2HB GLN 4 3HB GLN 4 6.758 3.428 -1.022 22 1HG GLN 4 2HG GLN 4 5.626 4.243 1.565 23 2HG GLN 4 3HG GLN 4 5.620 2.493 1.402 24 1HE2 GLN 4 1HE2 GLN 4 7.369 4.845 2.720 25 2HE2 GLN 4 2HE2 GLN 4 8.986 4.175 2.466 26 H PHE 5 H PHE 5 4.551 4.662 -3.275 27 HA PHE 5 HA PHE 5 6.911 5.977 -4.432 28 1HB PHE 5 2HB PHE 5 5.858 3.732 -5.215 29 2HB PHE 5 3HB PHE 5 4.505 4.693 -5.796 30 HD1 PHE 5 HD1 PHE 5 7.930 3.752 -6.383 31 HD2 PHE 5 HD2 PHE 5 4.719 6.377 -7.600 32 HE1 PHE 5 HE1 PHE 5 9.027 4.154 -8.522 33 HE2 PHE 5 HE2 PHE 5 5.887 6.785 -9.764 34 HZ PHE 5 HZ PHE 5 8.080 5.744 -10.193 35 H LYS 6 H LYS 6 3.355 6.280 -4.267 36 HA LYS 6 HA LYS 6 3.131 8.581 -5.977 37 1HB LYS 6 2HB LYS 6 1.254 7.078 -5.105 38 2HB LYS 6 3HB LYS 6 1.360 7.976 -3.572 39 1HG LYS 6 2HG LYS 6 0.804 10.069 -4.671 40 2HG LYS 6 3HG LYS 6 0.949 9.328 -6.268 41 1HD LYS 6 2HD LYS 6 -1.252 8.907 -6.211 42 2HD LYS 6 3HD LYS 6 -0.931 7.697 -4.961 43 1HE LYS 6 2HE LYS 6 -1.047 9.604 -3.254 44 2HE LYS 6 3HE LYS 6 -1.646 10.637 -4.556 45 1HZ LYS 6 1HZ LYS 6 -3.199 9.074 -3.008 46 2HZ LYS 6 2HZ LYS 6 -3.638 9.620 -4.501 47 3HZ LYS 6 3HZ LYS 6 -3.012 8.106 -4.330 48 H GLU 7 H GLU 7 4.201 8.243 -2.678 49 HA GLU 7 HA GLU 7 4.137 11.091 -2.184 50 1HB GLU 7 2HB GLU 7 4.727 8.650 -0.617 51 2HB GLU 7 3HB GLU 7 5.908 9.925 -0.337 52 1HG GLU 7 2HG GLU 7 3.895 11.526 -0.041 53 2HG GLU 7 3HG GLU 7 2.900 10.065 0.041 54 H CYS 8 H CYS 8 6.470 8.732 -3.412 55 HA CYS 8 HA CYS 8 8.720 10.589 -3.192 56 1HB CYS 8 2HB CYS 8 8.545 7.865 -3.496 57 2HB CYS 8 3HB CYS 8 8.700 8.358 -5.170 58 H TYR 9 H TYR 9 6.469 9.483 -5.748 59 HA TYR 9 HA TYR 9 7.554 11.046 -7.845 60 1HB TYR 9 2HB TYR 9 5.753 9.138 -7.790 61 2HB TYR 9 3HB TYR 9 4.600 10.388 -7.389 62 HD1 TYR 9 HD1 TYR 9 4.268 12.353 -9.036 63 HD2 TYR 9 HD2 TYR 9 6.463 8.768 -10.021 64 HE1 TYR 9 HE1 TYR 9 3.926 12.783 -11.448 65 HE2 TYR 9 HE2 TYR 9 6.035 9.193 -12.416 66 HH TYR 9 HH TYR 9 4.734 10.331 -13.888 67 H ASP 10 H ASP 10 4.823 11.776 -5.630 68 HA ASP 10 HA ASP 10 4.290 14.373 -6.676 69 1HB ASP 10 2HB ASP 10 2.975 12.824 -4.962 70 2HB ASP 10 3HB ASP 10 3.885 13.687 -3.734 71 H THR 11 H THR 11 6.116 13.336 -3.797 72 HA THR 11 HA THR 11 7.039 15.895 -3.038 73 HB THR 11 HB THR 11 8.268 13.180 -2.449 74 HG1 THR 11 1HG THR 11 6.348 13.117 -1.631 75 1HG2 THR 11 1HG2 THR 11 8.920 15.895 -1.514 76 2HG2 THR 11 2HG2 THR 11 8.558 14.741 -0.210 77 3HG2 THR 11 3HG2 THR 11 9.837 14.364 -1.378 78 H CYS 12 H CYS 12 8.582 13.342 -5.045 79 HA CYS 12 HA CYS 12 11.036 14.660 -5.516 80 1HB CYS 12 2HB CYS 12 10.631 12.299 -6.050 81 2HB CYS 12 3HB CYS 12 9.558 12.759 -7.380 82 H HIS 13 H HIS 13 7.870 14.772 -7.255 83 HA HIS 13 HA HIS 13 8.565 16.569 -9.284 84 1HB HIS 13 2HB HIS 13 6.274 15.356 -8.691 85 2HB HIS 13 3HB HIS 13 5.950 16.888 -7.913 86 HD1 HIS 13 HD1 HIS 13 5.186 18.774 -9.444 87 HD2 HIS 13 HD2 HIS 13 6.873 15.436 -11.435 88 HE1 HIS 13 HE1 HIS 13 4.764 19.130 -11.923 89 HE2 HIS 13 HE2 HIS 13 5.781 17.047 -13.155 90 H LYS 14 H LYS 14 7.681 17.268 -5.930 91 HA LYS 14 HA LYS 14 7.657 20.088 -6.140 92 1HB LYS 14 2HB LYS 14 7.368 18.240 -4.081 93 2HB LYS 14 3HB LYS 14 8.897 18.978 -3.634 94 1HG LYS 14 2HG LYS 14 6.637 20.797 -4.468 95 2HG LYS 14 3HG LYS 14 6.505 19.974 -2.917 96 1HD LYS 14 2HD LYS 14 8.533 20.927 -2.088 97 2HD LYS 14 3HD LYS 14 9.026 21.527 -3.677 98 1HE LYS 14 2HE LYS 14 6.463 22.438 -2.305 99 2HE LYS 14 3HE LYS 14 8.025 23.233 -2.036 100 1HZ LYS 14 1HZ LYS 14 8.158 23.466 -4.517 101 2HZ LYS 14 2HZ LYS 14 6.594 22.981 -4.614 102 3HZ LYS 14 3HZ LYS 14 6.973 24.379 -3.819 103 H GLU 15 H GLU 15 10.480 18.180 -5.006 104 HA GLU 15 HA GLU 15 12.328 20.377 -5.386 105 1HB GLU 15 2HB GLU 15 12.681 18.431 -3.847 106 2HB GLU 15 3HB GLU 15 12.876 17.380 -5.242 107 1HG GLU 15 2HG GLU 15 14.560 19.859 -5.294 108 2HG GLU 15 3HG GLU 15 14.889 18.806 -3.948 109 H CYS 16 H CYS 16 10.796 18.280 -7.608 110 HA CYS 16 HA CYS 16 12.839 18.368 -9.592 111 1HB CYS 16 2HB CYS 16 11.038 16.611 -9.362 112 2HB CYS 16 3HB CYS 16 9.932 17.767 -10.111 113 H SER 17 H SER 17 9.520 19.762 -9.528 114 HA SER 17 HA SER 17 9.694 21.571 -11.637 115 1HB SER 17 2HB SER 17 7.845 21.018 -9.573 116 2HB SER 17 3HB SER 17 8.265 22.714 -9.374 117 HG SER 17 HG SER 17 7.664 21.742 -11.940 118 H ASP 18 H ASP 18 11.189 21.752 -8.449 119 HA ASP 18 HA ASP 18 11.793 24.508 -8.227 120 1HB ASP 18 2HB ASP 18 12.374 23.127 -6.386 121 2HB ASP 18 3HB ASP 18 13.161 21.984 -7.430 122 H LYS 19 H LYS 19 13.186 21.991 -10.358 123 HA LYS 19 HA LYS 19 15.412 23.482 -11.165 124 1HB LYS 19 2HB LYS 19 14.072 20.960 -11.951 125 2HB LYS 19 3HB LYS 19 14.558 21.807 -13.321 126 1HG LYS 19 2HG LYS 19 16.624 21.809 -11.187 127 2HG LYS 19 3HG LYS 19 16.075 20.185 -11.518 128 1HD LYS 19 2HD LYS 19 17.072 20.115 -13.576 129 2HD LYS 19 3HD LYS 19 16.555 21.755 -13.992 130 1HE LYS 19 2HE LYS 19 18.362 22.327 -12.038 131 2HE LYS 19 3HE LYS 19 19.084 20.853 -12.697 132 1HZ LYS 19 1HZ LYS 19 19.119 21.887 -14.863 133 2HZ LYS 19 2HZ LYS 19 18.191 23.153 -14.348 134 3HZ LYS 19 3HZ LYS 19 19.733 23.009 -13.812 135 H GLY 20 H GLY 20 12.222 24.144 -11.619 136 1HA GLY 20 2HA GLY 20 11.217 25.955 -12.618 137 2HA GLY 20 3HA GLY 20 12.731 26.323 -13.471 138 H ASN 21 H ASN 21 11.800 23.047 -13.746 139 HA ASN 21 HA ASN 21 11.223 23.357 -16.596 140 1HB ASN 21 2HB ASN 21 11.077 20.801 -16.415 141 2HB ASN 21 3HB ASN 21 12.652 21.501 -16.105 142 1HD2 ASN 21 1HD2 ASN 21 13.366 19.789 -14.835 143 2HD2 ASN 21 2HD2 ASN 21 12.629 19.523 -13.232 144 H GLY 22 H GLY 22 9.454 21.624 -17.247 145 1HA GLY 22 2HA GLY 22 6.918 22.673 -16.148 146 2HA GLY 22 3HA GLY 22 7.103 21.652 -17.595 147 H PHE 23 H PHE 23 5.207 21.324 -15.463 148 HA PHE 23 HA PHE 23 5.931 19.312 -13.675 149 1HB PHE 23 2HB PHE 23 3.422 18.883 -13.658 150 2HB PHE 23 3HB PHE 23 3.846 20.575 -13.415 151 HD1 PHE 23 HD1 PHE 23 2.351 18.098 -15.749 152 HD2 PHE 23 HD2 PHE 23 3.390 22.246 -15.146 153 HE1 PHE 23 HE1 PHE 23 1.009 18.710 -17.716 154 HE2 PHE 23 HE2 PHE 23 2.007 22.866 -17.116 155 HZ PHE 23 HZ PHE 23 0.816 21.100 -18.406 156 H THR 24 H THR 24 4.437 19.034 -16.878 157 HA THR 24 HA THR 24 4.172 16.293 -16.985 158 HB THR 24 HB THR 24 4.315 18.513 -18.918 159 HG1 THR 24 1HG THR 24 2.395 17.681 -19.307 160 1HG2 THR 24 1HG2 THR 24 5.056 15.709 -19.812 161 2HG2 THR 24 2HG2 THR 24 4.309 16.894 -20.901 162 3HG2 THR 24 3HG2 THR 24 5.890 17.235 -20.209 163 H PHE 25 H PHE 25 6.940 18.086 -18.365 164 HA PHE 25 HA PHE 25 8.572 15.907 -18.964 165 1HB PHE 25 2HB PHE 25 9.154 18.146 -19.669 166 2HB PHE 25 3HB PHE 25 9.125 18.742 -18.006 167 HD1 PHE 25 HD1 PHE 25 11.031 18.648 -16.583 168 HD2 PHE 25 HD2 PHE 25 11.025 16.513 -20.325 169 HE1 PHE 25 HE1 PHE 25 13.478 18.272 -16.368 170 HE2 PHE 25 HE2 PHE 25 13.465 16.113 -20.098 171 HZ PHE 25 HZ PHE 25 14.697 17.003 -18.130 172 H CYS 26 H CYS 26 8.314 17.704 -15.834 173 HA CYS 26 HA CYS 26 10.280 16.157 -14.533 174 1HB CYS 26 2HB CYS 26 8.337 18.232 -13.834 175 2HB CYS 26 3HB CYS 26 8.455 17.024 -12.597 176 H GLU 27 H GLU 27 6.799 15.681 -15.132 177 HA GLU 27 HA GLU 27 6.311 13.639 -13.227 178 1HB GLU 27 2HB GLU 27 4.930 14.951 -15.433 179 2HB GLU 27 3HB GLU 27 4.725 13.232 -15.614 180 1HG GLU 27 2HG GLU 27 3.415 13.089 -13.740 181 2HG GLU 27 3HG GLU 27 4.348 14.324 -12.861 182 H MET 28 H MET 28 7.047 13.436 -16.732 183 HA MET 28 HA MET 28 7.444 10.573 -16.653 184 1HB MET 28 2HB MET 28 7.854 12.827 -18.562 185 2HB MET 28 3HB MET 28 8.976 11.491 -18.799 186 1HG MET 28 2HG MET 28 7.332 9.974 -19.329 187 2HG MET 28 3HG MET 28 6.067 10.827 -18.430 188 1HE MET 28 1HE MET 28 5.269 10.485 -22.252 189 2HE MET 28 2HE MET 28 5.334 9.634 -20.689 190 3HE MET 28 3HE MET 28 4.172 10.963 -20.929 191 H LYS 29 H LYS 29 9.310 13.035 -15.341 192 HA LYS 29 HA LYS 29 11.841 11.541 -15.615 193 1HB LYS 29 2HB LYS 29 11.610 14.101 -16.010 194 2HB LYS 29 3HB LYS 29 11.525 14.239 -14.267 195 1HG LYS 29 2HG LYS 29 13.712 12.467 -15.339 196 2HG LYS 29 3HG LYS 29 13.812 14.136 -15.847 197 1HD LYS 29 2HD LYS 29 13.222 14.033 -12.967 198 2HD LYS 29 3HD LYS 29 14.556 12.963 -13.320 199 1HE LYS 29 2HE LYS 29 14.736 15.557 -14.766 200 2HE LYS 29 3HE LYS 29 14.616 15.759 -13.013 201 1HZ LYS 29 1HZ LYS 29 16.378 13.776 -13.178 202 2HZ LYS 29 2HZ LYS 29 16.786 14.597 -14.550 203 3HZ LYS 29 3HZ LYS 29 16.805 15.348 -13.063 204 H CYS 30 H CYS 30 10.150 13.189 -12.944 205 HA CYS 30 HA CYS 30 11.294 12.018 -10.745 206 1HB CYS 30 2HB CYS 30 8.470 12.913 -11.379 207 2HB CYS 30 3HB CYS 30 8.892 12.294 -9.790 208 H ASP 31 H ASP 31 8.965 10.673 -13.086 209 HA ASP 31 HA ASP 31 8.147 8.374 -11.688 210 1HB ASP 31 2HB ASP 31 7.530 9.407 -14.122 211 2HB ASP 31 3HB ASP 31 8.721 8.301 -14.683 212 H THR 32 H THR 32 10.728 8.729 -14.130 213 HA THR 32 HA THR 32 11.846 6.091 -13.580 214 HB THR 32 HB THR 32 12.562 8.452 -15.315 215 HG1 THR 32 1HG THR 32 11.192 6.847 -16.063 216 1HG2 THR 32 1HG2 THR 32 14.549 7.157 -16.145 217 2HG2 THR 32 2HG2 THR 32 14.769 7.850 -14.523 218 3HG2 THR 32 3HG2 THR 32 14.401 6.117 -14.706 219 H ASP 33 H ASP 33 12.336 9.305 -12.251 220 HA ASP 33 HA ASP 33 14.883 9.014 -11.104 221 1HB ASP 33 2HB ASP 33 13.710 11.165 -11.123 222 2HB ASP 33 3HB ASP 33 12.436 10.492 -10.123 223 H CYS 34 H CYS 34 11.840 8.840 -9.253 224 HA CYS 34 HA CYS 34 13.166 7.027 -7.355 225 1HB CYS 34 2HB CYS 34 11.709 9.117 -6.764 226 2HB CYS 34 3HB CYS 34 10.332 8.071 -7.101 227 H SER 35 H SER 35 13.253 5.118 -8.558 228 HA SER 35 HA SER 35 10.983 3.412 -8.446 229 1HB SER 35 2HB SER 35 10.749 5.015 -10.627 230 2HB SER 35 3HB SER 35 11.700 3.731 -11.344 231 HG SER 35 HG SER 35 9.166 3.806 -10.979 232 H VAL 36 H VAL 36 11.568 1.311 -8.715 233 HA VAL 36 HA VAL 36 14.375 0.804 -8.739 234 HB VAL 36 HB VAL 36 12.347 -1.381 -8.721 235 1HG1 VAL 36 1HG1 VAL 36 14.174 -2.560 -8.158 236 2HG1 VAL 36 2HG1 VAL 36 15.173 -1.094 -8.055 237 3HG1 VAL 36 3HG1 VAL 36 14.299 -1.659 -6.645 238 1HG2 VAL 36 1HG2 VAL 36 12.398 -0.865 -6.054 239 2HG2 VAL 36 2HG2 VAL 36 12.528 0.780 -6.646 240 3HG2 VAL 36 3HG2 VAL 36 11.165 -0.246 -7.153 241 H LYS 37 H LYS 37 14.658 -1.584 -9.977 242 HA LYS 37 HA LYS 37 13.591 -1.446 -12.662 243 1HB LYS 37 2HB LYS 37 15.763 0.178 -12.354 244 2HB LYS 37 3HB LYS 37 16.614 -1.333 -12.612 245 1HG LYS 37 2HG LYS 37 14.702 -1.465 -14.620 246 2HG LYS 37 3HG LYS 37 14.863 0.287 -14.450 247 1HD LYS 37 2HD LYS 37 17.234 0.186 -14.907 248 2HD LYS 37 3HD LYS 37 17.262 -1.581 -14.786 249 1HE LYS 37 2HE LYS 37 15.456 -0.244 -16.818 250 2HE LYS 37 3HE LYS 37 17.188 -0.408 -17.148 251 1HZ LYS 37 1HZ LYS 37 15.258 -2.601 -16.650 252 2HZ LYS 37 2HZ LYS 37 16.181 -2.358 -17.992 253 3HZ LYS 37 3HZ LYS 37 16.882 -2.840 -16.586 254 H ASP 38 H ASP 38 16.030 -3.013 -13.554 255 HA ASP 38 HA ASP 38 15.451 -5.544 -12.131 256 1HB ASP 38 2HB ASP 38 14.784 -4.909 -14.850 257 2HB ASP 38 3HB ASP 38 16.242 -5.870 -14.944 258 H VAL 39 H VAL 39 17.209 -6.324 -11.237 259 HA VAL 39 HA VAL 39 19.858 -5.722 -12.470 260 HB VAL 39 HB VAL 39 19.319 -4.559 -10.318 261 1HG1 VAL 39 1HG1 VAL 39 18.866 -5.614 -8.341 262 2HG1 VAL 39 2HG1 VAL 39 18.381 -6.964 -9.377 263 3HG1 VAL 39 3HG1 VAL 39 19.985 -6.951 -8.684 264 1HG2 VAL 39 1HG2 VAL 39 21.704 -5.673 -11.301 265 2HG2 VAL 39 2HG2 VAL 39 21.538 -4.379 -10.104 266 3HG2 VAL 39 3HG2 VAL 39 21.731 -6.065 -9.592 267 H LYS 40 H LYS 40 18.948 -7.684 -13.691 268 HA LYS 40 HA LYS 40 18.683 -10.210 -12.619 269 1HB LYS 40 2HB LYS 40 20.079 -9.414 -15.208 270 2HB LYS 40 3HB LYS 40 19.655 -11.074 -14.769 271 1HG LYS 40 2HG LYS 40 17.216 -9.996 -14.366 272 2HG LYS 40 3HG LYS 40 17.841 -8.737 -15.437 273 1HD LYS 40 2HD LYS 40 16.731 -10.315 -16.837 274 2HD LYS 40 3HD LYS 40 18.463 -10.594 -17.073 275 1HE LYS 40 2HE LYS 40 17.492 -12.197 -14.823 276 2HE LYS 40 3HE LYS 40 16.411 -12.427 -16.194 277 1HZ LYS 40 1HZ LYS 40 18.018 -13.951 -16.718 278 2HZ LYS 40 2HZ LYS 40 18.747 -12.651 -17.414 279 3HZ LYS 40 3HZ LYS 40 19.223 -13.167 -15.926 280 H GLU 41 H GLU 41 19.827 -11.377 -11.267 281 HA GLU 41 HA GLU 41 22.535 -10.659 -10.605 282 1HB GLU 41 2HB GLU 41 20.689 -12.917 -9.739 283 2HB GLU 41 3HB GLU 41 22.348 -12.751 -9.155 284 1HG GLU 41 2HG GLU 41 20.810 -10.211 -9.003 285 2HG GLU 41 3HG GLU 41 20.085 -11.509 -8.065 286 H LYS 42 H LYS 42 24.149 -11.146 -11.886 287 HA LYS 42 HA LYS 42 24.203 -12.886 -14.080 288 1HB LYS 42 2HB LYS 42 25.960 -11.180 -13.620 289 2HB LYS 42 3HB LYS 42 26.499 -12.130 -12.229 290 1HG LYS 42 2HG LYS 42 26.707 -14.082 -14.101 291 2HG LYS 42 3HG LYS 42 26.801 -12.710 -15.191 292 1HD LYS 42 2HD LYS 42 28.813 -11.925 -14.143 293 2HD LYS 42 3HD LYS 42 28.529 -12.890 -12.686 294 1HE LYS 42 2HE LYS 42 29.977 -14.358 -13.558 295 2HE LYS 42 3HE LYS 42 28.581 -14.914 -14.482 296 1HZ LYS 42 1HZ LYS 42 30.486 -14.475 -15.920 297 2HZ LYS 42 2HZ LYS 42 29.256 -13.446 -16.286 298 3HZ LYS 42 3HZ LYS 42 30.552 -12.904 -15.416 299 H LEU 43 H LEU 43 23.572 -14.962 -13.994 300 HA LEU 43 HA LEU 43 25.081 -16.891 -12.559 301 1HB LEU 43 2HB LEU 43 22.222 -16.170 -11.774 302 2HB LEU 43 3HB LEU 43 22.760 -17.836 -11.640 303 HG LEU 43 HG LEU 43 23.806 -15.425 -10.122 304 1HD1 LEU 43 1HD1 LEU 43 21.740 -16.793 -9.425 305 2HD1 LEU 43 2HD1 LEU 43 22.918 -18.048 -8.955 306 3HD1 LEU 43 3HD1 LEU 43 22.990 -16.420 -8.236 307 1HD2 LEU 43 1HD2 LEU 43 25.064 -18.189 -10.469 308 2HD2 LEU 43 2HD2 LEU 43 25.851 -16.616 -10.604 309 3HD2 LEU 43 3HD2 LEU 43 25.376 -17.182 -9.026 310 H GLU 44 H GLU 44 25.155 -18.751 -13.605 311 HA GLU 44 HA GLU 44 23.126 -19.420 -15.583 312 1HB GLU 44 2HB GLU 44 25.964 -18.580 -16.284 313 2HB GLU 44 3HB GLU 44 25.161 -19.839 -17.231 314 1HG GLU 44 2HG GLU 44 23.168 -18.241 -17.462 315 2HG GLU 44 3HG GLU 44 24.225 -16.976 -16.812 316 H ASN 45 H ASN 45 23.851 -21.521 -16.667 317 HA ASN 45 HA ASN 45 24.051 -23.545 -14.687 318 1HB ASN 45 2HB ASN 45 24.334 -25.089 -16.589 319 2HB ASN 45 3HB ASN 45 23.087 -23.916 -16.984 320 1HD2 ASN 45 1HD2 ASN 45 23.593 -22.231 -18.531 321 2HD2 ASN 45 2HD2 ASN 45 25.018 -22.389 -19.540 322 H TYR 46 H TYR 46 25.824 -25.353 -15.228 323 HA TYR 46 HA TYR 46 28.461 -24.039 -14.854 324 1HB TYR 46 2HB TYR 46 27.093 -25.373 -12.923 325 2HB TYR 46 3HB TYR 46 27.799 -26.751 -13.753 326 HD1 TYR 46 HD1 TYR 46 29.423 -27.535 -12.251 327 HD2 TYR 46 HD2 TYR 46 29.218 -23.294 -13.073 328 HE1 TYR 46 HE1 TYR 46 31.495 -27.164 -10.927 329 HE2 TYR 46 HE2 TYR 46 31.307 -22.946 -11.781 330 HH TYR 46 HH TYR 46 32.961 -25.648 -10.150 331 H LYS 47 H LYS 47 30.108 -26.058 -14.945 332 HA LYS 47 HA LYS 47 29.691 -27.315 -17.641 333 1HB LYS 47 2HB LYS 47 31.972 -27.039 -18.152 334 2HB LYS 47 3HB LYS 47 31.269 -25.482 -17.745 335 1HG LYS 47 2HG LYS 47 32.873 -25.141 -16.170 336 2HG LYS 47 3HG LYS 47 32.253 -26.496 -15.261 337 1HD LYS 47 2HD LYS 47 33.648 -27.949 -17.041 338 2HD LYS 47 3HD LYS 47 34.510 -26.424 -17.255 339 1HE LYS 47 2HE LYS 47 34.138 -26.928 -14.412 340 2HE LYS 47 3HE LYS 47 34.675 -28.431 -15.163 341 1HZ LYS 47 1HZ LYS 47 36.424 -26.950 -16.271 342 2HZ LYS 47 2HZ LYS 47 36.045 -25.817 -15.144 343 3HZ LYS 47 3HZ LYS 47 36.646 -27.276 -14.667 344 HA PRO 48 HA PRO 48 30.180 -30.616 -14.514 345 1HB PRO 48 2HB PRO 48 28.121 -32.234 -15.506 346 2HB PRO 48 3HB PRO 48 27.974 -31.024 -14.194 347 1HG PRO 48 2HG PRO 48 26.983 -30.858 -16.992 348 2HG PRO 48 3HG PRO 48 26.479 -29.932 -15.541 349 1HD PRO 48 2HD PRO 48 28.207 -29.067 -17.656 350 2HD PRO 48 3HD PRO 48 27.768 -28.223 -16.145 351 H LYS 49 H LYS 49 31.074 -32.653 -14.824 352 HA LYS 49 HA LYS 49 32.716 -32.936 -17.128 353 1HB LYS 49 2HB LYS 49 32.631 -34.155 -14.626 354 2HB LYS 49 3HB LYS 49 31.964 -35.431 -15.630 355 1HG LYS 49 2HG LYS 49 34.205 -34.448 -17.097 356 2HG LYS 49 3HG LYS 49 34.732 -34.402 -15.422 357 1HD LYS 49 2HD LYS 49 33.411 -36.858 -16.667 358 2HD LYS 49 3HD LYS 49 35.137 -36.536 -16.821 359 1HE LYS 49 2HE LYS 49 34.501 -36.150 -14.052 360 2HE LYS 49 3HE LYS 49 33.627 -37.601 -14.549 361 1HZ LYS 49 1HZ LYS 49 36.451 -37.227 -14.211 362 2HZ LYS 49 2HZ LYS 49 35.591 -38.633 -14.302 363 3HZ LYS 49 3HZ LYS 49 36.091 -37.887 -15.675 364 H ASN 50 H ASN 50 32.642 -34.803 -18.655 365 HA ASN 50 HA ASN 50 30.334 -34.759 -20.227 366 1HB ASN 50 2HB ASN 50 32.954 -35.751 -20.472 367 2HB ASN 50 3HB ASN 50 31.997 -37.203 -20.531 368 1HD2 ASN 50 1HD2 ASN 50 33.551 -35.510 -22.524 369 2HD2 ASN 50 2HD2 ASN 50 32.382 -35.395 -23.860 Start of MODEL 11 1 1H ASP 1 H1 ASP 1 0.345 -0.190 -0.235 2 2H ASP 1 H2 ASP 1 1.391 0.923 0.415 3 3H ASP 1 H3 ASP 1 1.690 -0.684 0.637 4 HA ASP 1 HA ASP 1 2.494 0.971 -1.419 5 1HB ASP 1 2HB ASP 1 2.780 -2.050 -1.390 6 2HB ASP 1 3HB ASP 1 3.916 -0.851 -2.034 7 H GLU 2 H GLU 2 2.710 -0.614 -3.643 8 HA GLU 2 HA GLU 2 0.251 -1.836 -4.488 9 1HB GLU 2 2HB GLU 2 -0.035 0.179 -6.237 10 2HB GLU 2 3HB GLU 2 -0.923 0.082 -4.744 11 1HG GLU 2 2HG GLU 2 1.750 1.516 -4.653 12 2HG GLU 2 3HG GLU 2 0.490 2.297 -5.570 13 H ALA 3 H ALA 3 0.953 -3.187 -5.973 14 HA ALA 3 HA ALA 3 2.371 -2.507 -8.326 15 1HB ALA 3 1HB ALA 3 4.568 -3.758 -7.728 16 2HB ALA 3 2HB ALA 3 4.392 -2.135 -7.072 17 3HB ALA 3 3HB ALA 3 4.088 -3.534 -6.016 18 H GLN 4 H GLN 4 3.509 -5.389 -6.727 19 HA GLN 4 HA GLN 4 2.506 -7.179 -8.582 20 1HB GLN 4 2HB GLN 4 3.131 -7.584 -5.620 21 2HB GLN 4 3HB GLN 4 2.824 -8.900 -6.742 22 1HG GLN 4 2HG GLN 4 4.884 -6.897 -7.627 23 2HG GLN 4 3HG GLN 4 5.319 -7.864 -6.224 24 1HE2 GLN 4 1HE2 GLN 4 6.196 -7.776 -9.166 25 2HE2 GLN 4 2HE2 GLN 4 6.091 -9.478 -9.626 26 H PHE 5 H PHE 5 0.839 -5.641 -6.004 27 HA PHE 5 HA PHE 5 -1.504 -7.437 -6.108 28 1HB PHE 5 2HB PHE 5 -0.482 -6.409 -3.967 29 2HB PHE 5 3HB PHE 5 -1.022 -4.844 -4.559 30 HD1 PHE 5 HD1 PHE 5 -2.009 -7.976 -2.995 31 HD2 PHE 5 HD2 PHE 5 -3.513 -4.379 -4.861 32 HE1 PHE 5 HE1 PHE 5 -4.228 -8.317 -1.936 33 HE2 PHE 5 HE2 PHE 5 -5.748 -4.802 -3.845 34 HZ PHE 5 HZ PHE 5 -6.107 -6.788 -2.431 35 H LYS 6 H LYS 6 -0.547 -4.072 -6.872 36 HA LYS 6 HA LYS 6 -3.171 -3.210 -7.687 37 1HB LYS 6 2HB LYS 6 -1.005 -1.805 -7.111 38 2HB LYS 6 3HB LYS 6 -0.588 -2.091 -8.809 39 1HG LYS 6 2HG LYS 6 -2.946 -1.189 -9.365 40 2HG LYS 6 3HG LYS 6 -3.062 -0.693 -7.671 41 1HD LYS 6 2HD LYS 6 -1.408 0.958 -7.906 42 2HD LYS 6 3HD LYS 6 -0.634 0.122 -9.267 43 1HE LYS 6 2HE LYS 6 -2.841 0.601 -10.561 44 2HE LYS 6 3HE LYS 6 -3.183 1.773 -9.281 45 1HZ LYS 6 1HZ LYS 6 -1.542 2.108 -11.490 46 2HZ LYS 6 2HZ LYS 6 -1.738 3.169 -10.242 47 3HZ LYS 6 3HZ LYS 6 -0.526 2.059 -10.203 48 H GLU 7 H GLU 7 -0.666 -5.107 -9.210 49 HA GLU 7 HA GLU 7 -1.859 -4.862 -11.836 50 1HB GLU 7 2HB GLU 7 0.614 -5.940 -10.703 51 2HB GLU 7 3HB GLU 7 -0.149 -7.137 -11.748 52 1HG GLU 7 2HG GLU 7 -0.337 -5.445 -13.561 53 2HG GLU 7 3HG GLU 7 0.476 -4.258 -12.532 54 H CYS 8 H CYS 8 -2.085 -7.031 -9.045 55 HA CYS 8 HA CYS 8 -3.490 -9.102 -10.570 56 1HB CYS 8 2HB CYS 8 -2.139 -9.080 -8.194 57 2HB CYS 8 3HB CYS 8 -3.770 -8.832 -7.609 58 H TYR 9 H TYR 9 -4.321 -6.404 -8.347 59 HA TYR 9 HA TYR 9 -7.119 -6.842 -8.342 60 1HB TYR 9 2HB TYR 9 -5.559 -5.275 -6.939 61 2HB TYR 9 3HB TYR 9 -5.662 -4.148 -8.275 62 HD1 TYR 9 HD1 TYR 9 -7.911 -3.137 -8.907 63 HD2 TYR 9 HD2 TYR 9 -7.318 -5.553 -5.362 64 HE1 TYR 9 HE1 TYR 9 -9.963 -2.204 -7.910 65 HE2 TYR 9 HE2 TYR 9 -9.398 -4.561 -4.419 66 HH TYR 9 HH TYR 9 -10.778 -2.055 -5.052 67 H ASP 10 H ASP 10 -5.127 -4.643 -10.386 68 HA ASP 10 HA ASP 10 -7.316 -3.688 -11.922 69 1HB ASP 10 2HB ASP 10 -4.751 -2.942 -11.764 70 2HB ASP 10 3HB ASP 10 -4.541 -4.029 -13.124 71 H THR 11 H THR 11 -4.903 -6.243 -12.598 72 HA THR 11 HA THR 11 -5.999 -7.077 -15.077 73 HB THR 11 HB THR 11 -4.297 -8.626 -13.107 74 HG1 THR 11 1HG THR 11 -3.088 -7.020 -13.666 75 1HG2 THR 11 1HG2 THR 11 -5.394 -9.441 -15.627 76 2HG2 THR 11 2HG2 THR 11 -3.653 -9.160 -15.834 77 3HG2 THR 11 3HG2 THR 11 -4.218 -10.281 -14.580 78 H CYS 12 H CYS 12 -6.474 -8.315 -11.735 79 HA CYS 12 HA CYS 12 -8.203 -10.448 -12.383 80 1HB CYS 12 2HB CYS 12 -7.204 -10.191 -10.168 81 2HB CYS 12 3HB CYS 12 -8.169 -8.736 -9.869 82 H HIS 13 H HIS 13 -8.847 -6.964 -11.669 83 HA HIS 13 HA HIS 13 -11.628 -7.007 -11.863 84 1HB HIS 13 2HB HIS 13 -9.890 -5.031 -11.419 85 2HB HIS 13 3HB HIS 13 -10.147 -4.758 -13.120 86 HD1 HIS 13 HD1 HIS 13 -12.195 -3.360 -13.649 87 HD2 HIS 13 HD2 HIS 13 -12.245 -5.086 -9.792 88 HE1 HIS 13 HE1 HIS 13 -14.263 -2.448 -12.428 89 HE2 HIS 13 HE2 HIS 13 -14.299 -3.495 -10.068 90 H LYS 14 H LYS 14 -9.219 -6.929 -14.467 91 HA LYS 14 HA LYS 14 -11.058 -6.598 -16.641 92 1HB LYS 14 2HB LYS 14 -8.239 -7.217 -16.278 93 2HB LYS 14 3HB LYS 14 -8.891 -8.311 -17.489 94 1HG LYS 14 2HG LYS 14 -9.318 -6.617 -18.973 95 2HG LYS 14 3HG LYS 14 -9.681 -5.423 -17.704 96 1HD LYS 14 2HD LYS 14 -7.268 -5.372 -17.070 97 2HD LYS 14 3HD LYS 14 -6.908 -6.427 -18.446 98 1HE LYS 14 2HE LYS 14 -6.905 -4.673 -19.846 99 2HE LYS 14 3HE LYS 14 -8.569 -4.283 -19.409 100 1HZ LYS 14 1HZ LYS 14 -6.674 -3.487 -17.393 101 2HZ LYS 14 2HZ LYS 14 -6.392 -2.745 -18.825 102 3HZ LYS 14 3HZ LYS 14 -7.861 -2.602 -18.089 103 H GLU 15 H GLU 15 -9.532 -9.732 -15.769 104 HA GLU 15 HA GLU 15 -11.475 -11.271 -17.164 105 1HB GLU 15 2HB GLU 15 -9.194 -12.020 -16.280 106 2HB GLU 15 3HB GLU 15 -9.926 -12.122 -14.682 107 1HG GLU 15 2HG GLU 15 -10.782 -14.155 -15.157 108 2HG GLU 15 3HG GLU 15 -11.680 -13.510 -16.522 109 H CYS 16 H CYS 16 -11.687 -9.634 -14.128 110 HA CYS 16 HA CYS 16 -13.817 -11.181 -13.047 111 1HB CYS 16 2HB CYS 16 -12.319 -9.800 -11.665 112 2HB CYS 16 3HB CYS 16 -13.041 -8.339 -12.352 113 H SER 17 H SER 17 -13.835 -7.747 -14.090 114 HA SER 17 HA SER 17 -16.590 -7.434 -14.421 115 1HB SER 17 2HB SER 17 -14.290 -5.867 -14.942 116 2HB SER 17 3HB SER 17 -15.061 -6.050 -16.509 117 HG SER 17 HG SER 17 -16.026 -4.847 -14.161 118 H ASP 18 H ASP 18 -14.261 -9.122 -16.510 119 HA ASP 18 HA ASP 18 -15.655 -9.265 -18.932 120 1HB ASP 18 2HB ASP 18 -13.497 -10.219 -18.907 121 2HB ASP 18 3HB ASP 18 -13.819 -11.080 -17.423 122 H LYS 19 H LYS 19 -16.198 -11.004 -15.837 123 HA LYS 19 HA LYS 19 -18.073 -12.827 -16.872 124 1HB LYS 19 2HB LYS 19 -17.050 -12.013 -14.215 125 2HB LYS 19 3HB LYS 19 -18.734 -12.243 -14.166 126 1HG LYS 19 2HG LYS 19 -17.356 -14.392 -15.704 127 2HG LYS 19 3HG LYS 19 -16.603 -14.136 -14.140 128 1HD LYS 19 2HD LYS 19 -19.176 -14.142 -13.313 129 2HD LYS 19 3HD LYS 19 -19.400 -15.054 -14.813 130 1HE LYS 19 2HE LYS 19 -18.106 -16.841 -14.070 131 2HE LYS 19 3HE LYS 19 -17.109 -15.833 -13.011 132 1HZ LYS 19 1HZ LYS 19 -18.891 -17.343 -11.953 133 2HZ LYS 19 2HZ LYS 19 -18.725 -15.803 -11.387 134 3HZ LYS 19 3HZ LYS 19 -19.955 -16.168 -12.414 135 H GLY 20 H GLY 20 -18.276 -9.541 -16.679 136 1HA GLY 20 2HA GLY 20 -19.939 -8.104 -17.331 137 2HA GLY 20 3HA GLY 20 -21.051 -9.487 -17.469 138 H ASN 21 H ASN 21 -19.238 -9.027 -14.532 139 HA ASN 21 HA ASN 21 -21.700 -8.696 -13.013 140 1HB ASN 21 2HB ASN 21 -18.924 -9.487 -12.464 141 2HB ASN 21 3HB ASN 21 -19.584 -8.453 -11.230 142 1HD2 ASN 21 1HD2 ASN 21 -18.941 -11.374 -11.408 143 2HD2 ASN 21 2HD2 ASN 21 -20.446 -12.109 -10.760 144 H GLY 22 H GLY 22 -21.293 -7.125 -11.025 145 1HA GLY 22 2HA GLY 22 -21.211 -4.420 -12.197 146 2HA GLY 22 3HA GLY 22 -21.593 -4.833 -10.499 147 H PHE 23 H PHE 23 -19.501 -3.123 -12.205 148 HA PHE 23 HA PHE 23 -16.908 -3.653 -11.719 149 1HB PHE 23 2HB PHE 23 -18.489 -1.337 -12.160 150 2HB PHE 23 3HB PHE 23 -17.623 -0.943 -10.704 151 HD1 PHE 23 HD1 PHE 23 -15.506 -0.010 -10.793 152 HD2 PHE 23 HD2 PHE 23 -17.002 -2.341 -14.114 153 HE1 PHE 23 HE1 PHE 23 -13.523 0.637 -12.139 154 HE2 PHE 23 HE2 PHE 23 -15.012 -1.692 -15.463 155 HZ PHE 23 HZ PHE 23 -13.273 -0.191 -14.470 156 H THR 24 H THR 24 -18.738 -1.847 -9.234 157 HA THR 24 HA THR 24 -16.999 -1.941 -7.142 158 HB THR 24 HB THR 24 -19.952 -1.778 -7.446 159 HG1 THR 24 1HG THR 24 -19.343 -0.088 -5.854 160 1HG2 THR 24 1HG2 THR 24 -20.309 -1.793 -4.943 161 2HG2 THR 24 2HG2 THR 24 -20.066 -3.383 -5.628 162 3HG2 THR 24 3HG2 THR 24 -18.714 -2.583 -4.788 163 H PHE 25 H PHE 25 -19.524 -4.458 -7.666 164 HA PHE 25 HA PHE 25 -18.679 -6.236 -5.682 165 1HB PHE 25 2HB PHE 25 -20.776 -6.501 -6.923 166 2HB PHE 25 3HB PHE 25 -19.919 -6.648 -8.438 167 HD1 PHE 25 HD1 PHE 25 -19.032 -8.686 -9.258 168 HD2 PHE 25 HD2 PHE 25 -20.482 -8.386 -5.224 169 HE1 PHE 25 HE1 PHE 25 -18.930 -11.172 -9.023 170 HE2 PHE 25 HE2 PHE 25 -20.405 -10.869 -5.013 171 HZ PHE 25 HZ PHE 25 -19.656 -12.253 -6.939 172 H CYS 26 H CYS 26 -17.533 -5.929 -9.074 173 HA CYS 26 HA CYS 26 -15.808 -8.140 -8.971 174 1HB CYS 26 2HB CYS 26 -16.419 -5.921 -10.802 175 2HB CYS 26 3HB CYS 26 -14.693 -6.247 -10.737 176 H GLU 27 H GLU 27 -15.499 -4.786 -7.911 177 HA GLU 27 HA GLU 27 -12.646 -4.879 -7.478 178 1HB GLU 27 2HB GLU 27 -14.836 -2.902 -7.270 179 2HB GLU 27 3HB GLU 27 -13.851 -2.920 -5.809 180 1HG GLU 27 2HG GLU 27 -11.915 -2.984 -7.685 181 2HG GLU 27 3HG GLU 27 -13.123 -2.191 -8.624 182 H MET 28 H MET 28 -15.326 -4.577 -5.107 183 HA MET 28 HA MET 28 -13.911 -5.217 -2.824 184 1HB MET 28 2HB MET 28 -16.753 -5.391 -3.727 185 2HB MET 28 3HB MET 28 -16.351 -6.582 -2.502 186 1HG MET 28 2HG MET 28 -15.247 -4.594 -1.228 187 2HG MET 28 3HG MET 28 -16.242 -3.583 -2.287 188 1HE MET 28 1HE MET 28 -17.916 -3.020 0.686 189 2HE MET 28 2HE MET 28 -17.133 -4.381 1.531 190 3HE MET 28 3HE MET 28 -16.182 -3.344 0.445 191 H LYS 29 H LYS 29 -14.827 -7.375 -5.393 192 HA LYS 29 HA LYS 29 -14.149 -9.764 -3.855 193 1HB LYS 29 2HB LYS 29 -15.997 -9.562 -5.688 194 2HB LYS 29 3HB LYS 29 -14.670 -9.724 -6.841 195 1HG LYS 29 2HG LYS 29 -14.903 -11.635 -4.487 196 2HG LYS 29 3HG LYS 29 -16.054 -11.797 -5.817 197 1HD LYS 29 2HD LYS 29 -14.243 -12.088 -7.434 198 2HD LYS 29 3HD LYS 29 -13.032 -11.750 -6.204 199 1HE LYS 29 2HE LYS 29 -14.714 -13.848 -5.192 200 2HE LYS 29 3HE LYS 29 -14.292 -14.255 -6.861 201 1HZ LYS 29 1HZ LYS 29 -12.532 -14.010 -4.544 202 2HZ LYS 29 2HZ LYS 29 -12.391 -15.015 -5.853 203 3HZ LYS 29 3HZ LYS 29 -11.908 -13.482 -5.968 204 H CYS 30 H CYS 30 -12.921 -8.328 -6.928 205 HA CYS 30 HA CYS 30 -10.587 -9.791 -7.191 206 1HB CYS 30 2HB CYS 30 -11.306 -6.934 -7.823 207 2HB CYS 30 3HB CYS 30 -9.694 -7.525 -8.138 208 H ASP 31 H ASP 31 -11.348 -7.218 -4.897 209 HA ASP 31 HA ASP 31 -8.774 -6.605 -3.983 210 1HB ASP 31 2HB ASP 31 -11.248 -5.598 -3.443 211 2HB ASP 31 3HB ASP 31 -11.174 -6.691 -2.103 212 H THR 32 H THR 32 -11.240 -8.731 -2.533 213 HA THR 32 HA THR 32 -9.291 -9.961 -0.755 214 HB THR 32 HB THR 32 -12.240 -10.182 -1.276 215 HG1 THR 32 1HG THR 32 -10.467 -10.082 0.918 216 1HG2 THR 32 1HG2 THR 32 -10.688 -12.315 0.238 217 2HG2 THR 32 2HG2 THR 32 -12.462 -12.122 0.222 218 3HG2 THR 32 3HG2 THR 32 -11.610 -12.587 -1.261 219 H ASP 33 H ASP 33 -10.280 -10.537 -3.998 220 HA ASP 33 HA ASP 33 -9.883 -13.290 -4.298 221 1HB ASP 33 2HB ASP 33 -10.829 -11.895 -6.102 222 2HB ASP 33 3HB ASP 33 -9.318 -10.997 -6.196 223 H CYS 34 H CYS 34 -7.576 -10.783 -5.386 224 HA CYS 34 HA CYS 34 -5.376 -12.664 -5.100 225 1HB CYS 34 2HB CYS 34 -5.472 -9.724 -5.882 226 2HB CYS 34 3HB CYS 34 -4.001 -10.688 -5.794 227 H SER 35 H SER 35 -5.512 -13.093 -2.852 228 HA SER 35 HA SER 35 -3.964 -11.203 -1.255 229 1HB SER 35 2HB SER 35 -6.756 -10.961 -1.109 230 2HB SER 35 3HB SER 35 -6.374 -11.999 0.274 231 HG SER 35 HG SER 35 -6.085 -9.411 0.060 232 H VAL 36 H VAL 36 -2.735 -12.320 0.169 233 HA VAL 36 HA VAL 36 -2.854 -15.169 0.142 234 HB VAL 36 HB VAL 36 -1.004 -13.645 1.926 235 1HG1 VAL 36 1HG1 VAL 36 -1.130 -16.331 0.681 236 2HG1 VAL 36 2HG1 VAL 36 0.436 -15.559 0.476 237 3HG1 VAL 36 3HG1 VAL 36 -0.218 -15.758 2.100 238 1HG2 VAL 36 1HG2 VAL 36 0.528 -13.526 -0.249 239 2HG2 VAL 36 2HG2 VAL 36 -1.027 -13.495 -1.086 240 3HG2 VAL 36 3HG2 VAL 36 -0.634 -12.256 0.132 241 H LYS 37 H LYS 37 -2.108 -15.926 2.632 242 HA LYS 37 HA LYS 37 -4.106 -14.914 4.538 243 1HB LYS 37 2HB LYS 37 -5.130 -17.064 4.939 244 2HB LYS 37 3HB LYS 37 -5.283 -16.680 3.224 245 1HG LYS 37 2HG LYS 37 -3.445 -18.184 2.631 246 2HG LYS 37 3HG LYS 37 -3.048 -18.451 4.313 247 1HD LYS 37 2HD LYS 37 -5.295 -19.457 4.708 248 2HD LYS 37 3HD LYS 37 -5.611 -19.273 2.963 249 1HE LYS 37 2HE LYS 37 -3.342 -20.574 2.685 250 2HE LYS 37 3HE LYS 37 -3.557 -21.033 4.375 251 1HZ LYS 37 1HZ LYS 37 -4.546 -22.556 2.592 252 2HZ LYS 37 2HZ LYS 37 -5.558 -22.144 3.832 253 3HZ LYS 37 3HZ LYS 37 -5.698 -21.407 2.373 254 H ASP 38 H ASP 38 -3.727 -17.214 6.266 255 HA ASP 38 HA ASP 38 -1.139 -16.407 7.401 256 1HB ASP 38 2HB ASP 38 -3.620 -16.985 8.534 257 2HB ASP 38 3HB ASP 38 -2.782 -18.522 8.724 258 H VAL 39 H VAL 39 0.187 -18.172 8.339 259 HA VAL 39 HA VAL 39 0.258 -20.591 6.559 260 HB VAL 39 HB VAL 39 2.008 -18.837 6.156 261 1HG1 VAL 39 1HG1 VAL 39 3.541 -18.158 7.713 262 2HG1 VAL 39 2HG1 VAL 39 2.354 -18.730 8.877 263 3HG1 VAL 39 3HG1 VAL 39 3.672 -19.789 8.427 264 1HG2 VAL 39 1HG2 VAL 39 2.098 -21.641 6.069 265 2HG2 VAL 39 2HG2 VAL 39 3.182 -20.508 5.240 266 3HG2 VAL 39 3HG2 VAL 39 3.627 -21.205 6.809 267 H LYS 40 H LYS 40 -1.307 -21.131 8.367 268 HA LYS 40 HA LYS 40 -0.582 -21.570 10.984 269 1HB LYS 40 2HB LYS 40 -2.599 -22.537 9.221 270 2HB LYS 40 3HB LYS 40 -1.927 -23.984 9.961 271 1HG LYS 40 2HG LYS 40 -2.582 -23.399 12.109 272 2HG LYS 40 3HG LYS 40 -2.542 -21.664 11.802 273 1HD LYS 40 2HD LYS 40 -4.699 -21.562 11.250 274 2HD LYS 40 3HD LYS 40 -4.543 -22.870 10.076 275 1HE LYS 40 2HE LYS 40 -4.460 -24.410 12.232 276 2HE LYS 40 3HE LYS 40 -5.253 -23.028 13.005 277 1HZ LYS 40 1HZ LYS 40 -6.837 -24.633 12.035 278 2HZ LYS 40 2HZ LYS 40 -6.981 -23.153 11.319 279 3HZ LYS 40 3HZ LYS 40 -6.199 -24.378 10.541 280 H GLU 41 H GLU 41 0.144 -23.436 12.204 281 HA GLU 41 HA GLU 41 2.725 -24.137 11.396 282 1HB GLU 41 2HB GLU 41 0.971 -24.651 13.638 283 2HB GLU 41 3HB GLU 41 1.627 -26.188 13.142 284 1HG GLU 41 2HG GLU 41 3.521 -23.825 13.351 285 2HG GLU 41 3HG GLU 41 2.908 -24.513 14.846 286 H LYS 42 H LYS 42 3.577 -26.420 11.179 287 HA LYS 42 HA LYS 42 1.995 -27.700 8.981 288 1HB LYS 42 2HB LYS 42 4.262 -26.846 8.441 289 2HB LYS 42 3HB LYS 42 4.952 -27.912 9.656 290 1HG LYS 42 2HG LYS 42 3.078 -29.246 7.713 291 2HG LYS 42 3HG LYS 42 4.498 -28.542 6.972 292 1HD LYS 42 2HD LYS 42 5.316 -30.003 9.380 293 2HD LYS 42 3HD LYS 42 4.273 -31.030 8.425 294 1HE LYS 42 2HE LYS 42 6.318 -29.465 6.901 295 2HE LYS 42 3HE LYS 42 6.994 -30.611 8.062 296 1HZ LYS 42 1HZ LYS 42 4.863 -31.462 6.234 297 2HZ LYS 42 2HZ LYS 42 6.435 -31.464 5.719 298 3HZ LYS 42 3HZ LYS 42 5.967 -32.388 7.010 299 H LEU 43 H LEU 43 0.570 -28.583 10.541 300 HA LEU 43 HA LEU 43 1.121 -30.214 12.671 301 1HB LEU 43 2HB LEU 43 -0.932 -31.334 12.320 302 2HB LEU 43 3HB LEU 43 -1.173 -29.657 11.867 303 HG LEU 43 HG LEU 43 -0.574 -31.814 9.781 304 1HD1 LEU 43 1HD1 LEU 43 -2.702 -32.153 11.339 305 2HD1 LEU 43 2HD1 LEU 43 -3.397 -30.968 10.219 306 3HD1 LEU 43 3HD1 LEU 43 -2.698 -32.491 9.614 307 1HD2 LEU 43 1HD2 LEU 43 -2.177 -29.945 8.577 308 2HD2 LEU 43 2HD2 LEU 43 -1.305 -28.921 9.731 309 3HD2 LEU 43 3HD2 LEU 43 -0.407 -29.906 8.565 310 H GLU 44 H GLU 44 1.392 -32.510 13.010 311 HA GLU 44 HA GLU 44 2.171 -34.149 10.790 312 1HB GLU 44 2HB GLU 44 4.197 -32.455 11.735 313 2HB GLU 44 3HB GLU 44 4.423 -33.862 12.734 314 1HG GLU 44 2HG GLU 44 3.968 -34.367 9.784 315 2HG GLU 44 3HG GLU 44 5.428 -33.498 10.164 316 H ASN 45 H ASN 45 3.206 -36.277 11.727 317 HA ASN 45 HA ASN 45 2.535 -36.942 14.402 318 1HB ASN 45 2HB ASN 45 0.762 -38.652 13.728 319 2HB ASN 45 3HB ASN 45 0.240 -36.976 13.622 320 1HD2 ASN 45 1HD2 ASN 45 -1.431 -37.830 12.224 321 2HD2 ASN 45 2HD2 ASN 45 -0.996 -38.097 10.511 322 H TYR 46 H TYR 46 2.827 -39.329 14.734 323 HA TYR 46 HA TYR 46 4.398 -40.650 12.606 324 1HB TYR 46 2HB TYR 46 5.677 -39.152 14.531 325 2HB TYR 46 3HB TYR 46 5.523 -40.666 15.388 326 HD1 TYR 46 HD1 TYR 46 6.760 -39.089 12.225 327 HD2 TYR 46 HD2 TYR 46 7.077 -42.441 14.915 328 HE1 TYR 46 HE1 TYR 46 8.787 -39.884 11.023 329 HE2 TYR 46 HE2 TYR 46 9.092 -43.249 13.691 330 HH TYR 46 HH TYR 46 10.439 -41.391 10.989 331 H LYS 47 H LYS 47 5.017 -42.876 13.337 332 HA LYS 47 HA LYS 47 3.276 -44.017 15.401 333 1HB LYS 47 2HB LYS 47 2.042 -43.900 13.090 334 2HB LYS 47 3HB LYS 47 3.041 -45.274 12.647 335 1HG LYS 47 2HG LYS 47 1.682 -45.371 15.351 336 2HG LYS 47 3HG LYS 47 0.624 -45.434 13.953 337 1HD LYS 47 2HD LYS 47 1.371 -47.467 13.245 338 2HD LYS 47 3HD LYS 47 3.008 -47.258 13.841 339 1HE LYS 47 2HE LYS 47 2.617 -48.117 15.870 340 2HE LYS 47 3HE LYS 47 1.068 -47.292 16.043 341 1HZ LYS 47 1HZ LYS 47 1.462 -49.958 15.377 342 2HZ LYS 47 2HZ LYS 47 0.032 -49.148 15.474 343 3HZ LYS 47 3HZ LYS 47 0.825 -49.225 14.039 344 HA PRO 48 HA PRO 48 7.439 -45.884 15.036 345 1HB PRO 48 2HB PRO 48 8.170 -45.484 17.703 346 2HB PRO 48 3HB PRO 48 8.548 -44.394 16.338 347 1HG PRO 48 2HG PRO 48 6.563 -44.028 18.520 348 2HG PRO 48 3HG PRO 48 7.304 -42.810 17.438 349 1HD PRO 48 2HD PRO 48 4.681 -43.973 17.257 350 2HD PRO 48 3HD PRO 48 5.442 -42.834 16.141 351 H LYS 49 H LYS 49 7.745 -47.992 15.344 352 HA LYS 49 HA LYS 49 5.670 -49.661 16.305 353 1HB LYS 49 2HB LYS 49 7.742 -50.204 14.779 354 2HB LYS 49 3HB LYS 49 8.609 -50.468 16.284 355 1HG LYS 49 2HG LYS 49 7.837 -52.610 16.014 356 2HG LYS 49 3HG LYS 49 6.411 -51.992 16.827 357 1HD LYS 49 2HD LYS 49 5.126 -51.894 14.923 358 2HD LYS 49 3HD LYS 49 6.499 -51.692 13.825 359 1HE LYS 49 2HE LYS 49 7.002 -53.916 13.705 360 2HE LYS 49 3HE LYS 49 6.441 -54.257 15.344 361 1HZ LYS 49 1HZ LYS 49 4.765 -53.869 12.939 362 2HZ LYS 49 2HZ LYS 49 4.877 -55.215 13.880 363 3HZ LYS 49 3HZ LYS 49 4.147 -53.871 14.471 364 H ASN 50 H ASN 50 5.407 -50.826 18.207 365 HA ASN 50 HA ASN 50 5.769 -49.508 20.637 366 1HB ASN 50 2HB ASN 50 4.197 -51.427 20.335 367 2HB ASN 50 3HB ASN 50 5.600 -52.500 20.103 368 1HD2 ASN 50 1HD2 ASN 50 5.678 -53.767 21.834 369 2HD2 ASN 50 2HD2 ASN 50 5.622 -53.151 23.492 Start of MODEL 12 1 1H ASP 1 H1 ASP 1 0.907 0.878 0.123 2 2H ASP 1 H2 ASP 1 1.992 -0.177 0.780 3 3H ASP 1 H3 ASP 1 0.649 -0.759 0.018 4 HA ASP 1 HA ASP 1 3.138 -0.193 -1.091 5 1HB ASP 1 2HB ASP 1 0.478 -1.184 -2.158 6 2HB ASP 1 3HB ASP 1 1.856 -0.890 -3.238 7 H GLU 2 H GLU 2 -0.124 1.109 -1.860 8 HA GLU 2 HA GLU 2 -0.785 3.035 -2.799 9 1HB GLU 2 2HB GLU 2 1.634 4.571 -2.390 10 2HB GLU 2 3HB GLU 2 -0.024 4.849 -1.826 11 1HG GLU 2 2HG GLU 2 0.545 3.026 -0.041 12 2HG GLU 2 3HG GLU 2 2.234 3.360 -0.481 13 H ALA 3 H ALA 3 -1.062 2.946 -4.928 14 HA ALA 3 HA ALA 3 1.250 3.569 -6.704 15 1HB ALA 3 1HB ALA 3 -0.122 0.866 -6.556 16 2HB ALA 3 2HB ALA 3 0.518 1.460 -8.114 17 3HB ALA 3 3HB ALA 3 1.609 1.258 -6.740 18 H GLN 4 H GLN 4 -1.488 1.931 -8.009 19 HA GLN 4 HA GLN 4 -2.274 3.998 -9.680 20 1HB GLN 4 2HB GLN 4 -3.762 1.600 -8.526 21 2HB GLN 4 3HB GLN 4 -4.581 2.752 -9.585 22 1HG GLN 4 2HG GLN 4 -2.546 2.404 -11.191 23 2HG GLN 4 3HG GLN 4 -2.253 0.931 -10.256 24 1HE2 GLN 4 1HE2 GLN 4 -3.793 2.169 -12.934 25 2HE2 GLN 4 2HE2 GLN 4 -5.039 0.917 -13.101 26 H PHE 5 H PHE 5 -2.934 3.693 -6.352 27 HA PHE 5 HA PHE 5 -5.050 5.777 -6.278 28 1HB PHE 5 2HB PHE 5 -5.023 3.590 -4.870 29 2HB PHE 5 3HB PHE 5 -3.624 4.255 -4.032 30 HD1 PHE 5 HD1 PHE 5 -7.245 4.479 -4.546 31 HD2 PHE 5 HD2 PHE 5 -3.856 6.310 -2.575 32 HE1 PHE 5 HE1 PHE 5 -8.760 5.662 -2.987 33 HE2 PHE 5 HE2 PHE 5 -5.413 7.541 -1.074 34 HZ PHE 5 HZ PHE 5 -7.857 7.247 -1.317 35 H LYS 6 H LYS 6 -1.657 5.177 -5.219 36 HA LYS 6 HA LYS 6 -1.366 7.717 -3.875 37 1HB LYS 6 2HB LYS 6 0.091 5.529 -3.871 38 2HB LYS 6 3HB LYS 6 0.965 6.260 -5.180 39 1HG LYS 6 2HG LYS 6 0.422 7.927 -2.678 40 2HG LYS 6 3HG LYS 6 1.625 6.666 -2.566 41 1HD LYS 6 2HD LYS 6 2.645 7.671 -4.741 42 2HD LYS 6 3HD LYS 6 1.663 9.090 -4.352 43 1HE LYS 6 2HE LYS 6 3.340 9.755 -3.053 44 2HE LYS 6 3HE LYS 6 2.808 8.520 -1.895 45 1HZ LYS 6 1HZ LYS 6 4.512 7.589 -4.041 46 2HZ LYS 6 2HZ LYS 6 5.253 8.575 -2.956 47 3HZ LYS 6 3HZ LYS 6 4.523 7.173 -2.451 48 H GLU 7 H GLU 7 -1.230 6.714 -7.201 49 HA GLU 7 HA GLU 7 -0.060 9.219 -8.085 50 1HB GLU 7 2HB GLU 7 -0.963 6.671 -9.332 51 2HB GLU 7 3HB GLU 7 -1.256 8.094 -10.322 52 1HG GLU 7 2HG GLU 7 0.956 8.576 -10.637 53 2HG GLU 7 3HG GLU 7 1.456 7.970 -9.059 54 H CYS 8 H CYS 8 -3.318 7.934 -7.576 55 HA CYS 8 HA CYS 8 -4.586 10.162 -9.010 56 1HB CYS 8 2HB CYS 8 -5.412 7.668 -8.230 57 2HB CYS 8 3HB CYS 8 -6.011 8.621 -6.891 58 H TYR 9 H TYR 9 -3.880 9.279 -5.594 59 HA TYR 9 HA TYR 9 -5.034 11.589 -4.433 60 1HB TYR 9 2HB TYR 9 -4.077 9.365 -3.423 61 2HB TYR 9 3HB TYR 9 -2.507 10.134 -3.499 62 HD1 TYR 9 HD1 TYR 9 -2.157 12.364 -2.220 63 HD2 TYR 9 HD2 TYR 9 -5.558 9.748 -1.643 64 HE1 TYR 9 HE1 TYR 9 -2.557 13.356 0.005 65 HE2 TYR 9 HE2 TYR 9 -5.887 10.752 0.611 66 HH TYR 9 HH TYR 9 -4.142 12.033 2.362 67 H ASP 10 H ASP 10 -1.625 10.985 -5.379 68 HA ASP 10 HA ASP 10 -0.678 13.569 -4.653 69 1HB ASP 10 2HB ASP 10 0.592 11.338 -5.368 70 2HB ASP 10 3HB ASP 10 0.485 11.997 -6.994 71 H THR 11 H THR 11 -1.609 12.242 -7.804 72 HA THR 11 HA THR 11 -1.288 14.630 -9.313 73 HB THR 11 HB THR 11 -3.073 12.247 -9.907 74 HG1 THR 11 1HG THR 11 -1.109 11.513 -9.801 75 1HG2 THR 11 1HG2 THR 11 -1.778 14.209 -11.803 76 2HG2 THR 11 2HG2 THR 11 -2.773 12.788 -12.219 77 3HG2 THR 11 3HG2 THR 11 -3.528 14.177 -11.404 78 H CYS 12 H CYS 12 -4.197 13.196 -7.742 79 HA CYS 12 HA CYS 12 -6.077 15.144 -8.553 80 1HB CYS 12 2HB CYS 12 -6.718 13.014 -7.510 81 2HB CYS 12 3HB CYS 12 -6.025 13.540 -5.965 82 H HIS 13 H HIS 13 -3.877 14.963 -5.689 83 HA HIS 13 HA HIS 13 -4.591 17.363 -4.457 84 1HB HIS 13 2HB HIS 13 -2.775 15.530 -3.831 85 2HB HIS 13 3HB HIS 13 -1.710 16.656 -4.651 86 HD1 HIS 13 HD1 HIS 13 -1.001 18.731 -3.305 87 HD2 HIS 13 HD2 HIS 13 -4.177 16.479 -1.629 88 HE1 HIS 13 HE1 HIS 13 -1.354 19.632 -0.969 89 HE2 HIS 13 HE2 HIS 13 -3.312 18.220 0.087 90 H LYS 14 H LYS 14 -2.422 16.886 -7.201 91 HA LYS 14 HA LYS 14 -1.532 19.571 -7.470 92 1HB LYS 14 2HB LYS 14 -1.097 17.234 -8.830 93 2HB LYS 14 3HB LYS 14 -2.121 18.049 -10.004 94 1HG LYS 14 2HG LYS 14 -0.623 19.738 -10.405 95 2HG LYS 14 3HG LYS 14 0.110 19.674 -8.787 96 1HD LYS 14 2HD LYS 14 1.347 17.717 -9.248 97 2HD LYS 14 3HD LYS 14 0.403 17.360 -10.709 98 1HE LYS 14 2HE LYS 14 1.333 19.839 -11.357 99 2HE LYS 14 3HE LYS 14 2.634 19.325 -10.274 100 1HZ LYS 14 1HZ LYS 14 2.623 17.200 -11.683 101 2HZ LYS 14 2HZ LYS 14 1.709 18.029 -12.766 102 3HZ LYS 14 3HZ LYS 14 3.234 18.546 -12.410 103 H GLU 15 H GLU 15 -4.239 18.138 -9.350 104 HA GLU 15 HA GLU 15 -5.282 20.725 -10.136 105 1HB GLU 15 2HB GLU 15 -5.657 18.405 -11.241 106 2HB GLU 15 3HB GLU 15 -6.865 18.143 -9.974 107 1HG GLU 15 2HG GLU 15 -7.991 20.307 -10.725 108 2HG GLU 15 3HG GLU 15 -6.791 20.427 -12.005 109 H CYS 16 H CYS 16 -5.380 19.044 -7.170 110 HA CYS 16 HA CYS 16 -7.864 20.133 -6.248 111 1HB CYS 16 2HB CYS 16 -6.763 18.006 -5.435 112 2HB CYS 16 3HB CYS 16 -5.690 19.041 -4.477 113 H SER 17 H SER 17 -4.465 20.644 -5.164 114 HA SER 17 HA SER 17 -4.768 22.959 -3.635 115 1HB SER 17 2HB SER 17 -2.603 21.446 -4.601 116 2HB SER 17 3HB SER 17 -2.361 23.052 -5.282 117 HG SER 17 HG SER 17 -2.387 23.915 -3.231 118 H ASP 18 H ASP 18 -4.889 22.595 -7.149 119 HA ASP 18 HA ASP 18 -4.486 25.241 -8.063 120 1HB ASP 18 2HB ASP 18 -4.781 23.564 -9.712 121 2HB ASP 18 3HB ASP 18 -6.216 22.949 -8.915 122 H LYS 19 H LYS 19 -7.272 23.802 -6.329 123 HA LYS 19 HA LYS 19 -9.034 25.951 -6.777 124 1HB LYS 19 2HB LYS 19 -8.943 23.510 -5.099 125 2HB LYS 19 3HB LYS 19 -9.592 24.802 -4.232 126 1HG LYS 19 2HG LYS 19 -10.672 24.647 -7.002 127 2HG LYS 19 3HG LYS 19 -10.778 23.100 -6.176 128 1HD LYS 19 2HD LYS 19 -11.757 24.566 -4.172 129 2HD LYS 19 3HD LYS 19 -12.008 25.770 -5.443 130 1HE LYS 19 2HE LYS 19 -13.936 24.691 -5.957 131 2HE LYS 19 3HE LYS 19 -12.926 23.380 -6.593 132 1HZ LYS 19 1HZ LYS 19 -14.306 22.396 -4.994 133 2HZ LYS 19 2HZ LYS 19 -12.853 22.564 -4.235 134 3HZ LYS 19 3HZ LYS 19 -14.082 23.613 -3.892 135 H GLY 20 H GLY 20 -6.176 25.941 -5.152 136 1HA GLY 20 2HA GLY 20 -5.055 27.667 -4.110 137 2HA GLY 20 3HA GLY 20 -6.564 28.603 -4.038 138 H ASN 21 H ASN 21 -6.901 25.409 -2.881 139 HA ASN 21 HA ASN 21 -7.304 26.337 -0.131 140 1HB ASN 21 2HB ASN 21 -7.944 23.874 0.167 141 2HB ASN 21 3HB ASN 21 -8.991 24.817 -0.880 142 1HD2 ASN 21 1HD2 ASN 21 -9.728 23.035 -2.036 143 2HD2 ASN 21 2HD2 ASN 21 -8.580 22.173 -3.116 144 H GLY 22 H GLY 22 -6.540 24.495 1.449 145 1HA GLY 22 2HA GLY 22 -3.579 24.574 1.365 146 2HA GLY 22 3HA GLY 22 -4.585 24.069 2.747 147 H PHE 23 H PHE 23 -2.283 22.741 1.657 148 HA PHE 23 HA PHE 23 -2.941 20.531 0.107 149 1HB PHE 23 2HB PHE 23 -0.881 19.532 1.217 150 2HB PHE 23 3HB PHE 23 -0.607 21.137 0.543 151 HD1 PHE 23 HD1 PHE 23 -0.279 23.075 2.009 152 HD2 PHE 23 HD2 PHE 23 -0.922 19.141 3.671 153 HE1 PHE 23 HE1 PHE 23 0.433 23.884 4.247 154 HE2 PHE 23 HE2 PHE 23 -0.258 19.946 5.880 155 HZ PHE 23 HZ PHE 23 0.448 22.322 6.189 156 H THR 24 H THR 24 -2.848 20.802 3.637 157 HA THR 24 HA THR 24 -3.566 18.223 4.283 158 HB THR 24 HB THR 24 -3.661 20.861 5.599 159 HG1 THR 24 1HG THR 24 -2.544 19.676 7.067 160 1HG2 THR 24 1HG2 THR 24 -4.859 19.888 7.644 161 2HG2 THR 24 2HG2 THR 24 -5.898 20.383 6.315 162 3HG2 THR 24 3HG2 THR 24 -5.517 18.654 6.548 163 H PHE 25 H PHE 25 -5.894 20.922 4.090 164 HA PHE 25 HA PHE 25 -8.254 19.448 4.288 165 1HB PHE 25 2HB PHE 25 -8.287 21.859 4.324 166 2HB PHE 25 3HB PHE 25 -7.473 21.955 2.759 167 HD1 PHE 25 HD1 PHE 25 -8.657 21.907 0.690 168 HD2 PHE 25 HD2 PHE 25 -10.694 20.973 4.371 169 HE1 PHE 25 HE1 PHE 25 -10.834 22.073 -0.480 170 HE2 PHE 25 HE2 PHE 25 -12.875 21.117 3.201 171 HZ PHE 25 HZ PHE 25 -12.953 21.685 0.776 172 H CYS 26 H CYS 26 -6.330 20.173 1.316 173 HA CYS 26 HA CYS 26 -8.101 18.834 -0.429 174 1HB CYS 26 2HB CYS 26 -5.471 20.127 -0.567 175 2HB CYS 26 3HB CYS 26 -5.525 18.678 -1.525 176 H GLU 27 H GLU 27 -5.406 17.744 1.638 177 HA GLU 27 HA GLU 27 -4.989 15.172 0.476 178 1HB GLU 27 2HB GLU 27 -4.134 16.711 2.805 179 2HB GLU 27 3HB GLU 27 -4.544 15.102 3.328 180 1HG GLU 27 2HG GLU 27 -2.790 14.157 2.198 181 2HG GLU 27 3HG GLU 27 -2.895 15.310 0.843 182 H MET 28 H MET 28 -6.923 16.197 3.309 183 HA MET 28 HA MET 28 -8.194 13.603 3.576 184 1HB MET 28 2HB MET 28 -8.762 16.409 4.592 185 2HB MET 28 3HB MET 28 -9.969 15.134 4.806 186 1HG MET 28 2HG MET 28 -8.075 13.708 5.804 187 2HG MET 28 3HG MET 28 -7.154 15.217 5.875 188 1HE MET 28 1HE MET 28 -7.647 16.677 8.672 189 2HE MET 28 2HE MET 28 -7.713 15.045 9.391 190 3HE MET 28 3HE MET 28 -6.695 15.349 7.966 191 H LYS 29 H LYS 29 -8.543 15.892 1.158 192 HA LYS 29 HA LYS 29 -11.365 15.185 0.598 193 1HB LYS 29 2HB LYS 29 -10.419 17.665 0.593 194 2HB LYS 29 3HB LYS 29 -9.764 17.216 -0.973 195 1HG LYS 29 2HG LYS 29 -11.874 17.940 -1.639 196 2HG LYS 29 3HG LYS 29 -12.270 16.254 -1.303 197 1HD LYS 29 2HD LYS 29 -12.538 17.429 1.230 198 2HD LYS 29 3HD LYS 29 -13.046 18.735 0.161 199 1HE LYS 29 2HE LYS 29 -14.087 15.864 0.159 200 2HE LYS 29 3HE LYS 29 -14.917 17.230 0.921 201 1HZ LYS 29 1HZ LYS 29 -14.226 17.164 -1.959 202 2HZ LYS 29 2HZ LYS 29 -15.663 16.621 -1.411 203 3HZ LYS 29 3HZ LYS 29 -15.266 18.209 -1.207 204 H CYS 30 H CYS 30 -8.377 15.579 -1.320 205 HA CYS 30 HA CYS 30 -8.958 14.132 -3.574 206 1HB CYS 30 2HB CYS 30 -6.428 14.548 -1.973 207 2HB CYS 30 3HB CYS 30 -6.433 13.590 -3.450 208 H ASP 31 H ASP 31 -8.174 12.986 -0.277 209 HA ASP 31 HA ASP 31 -7.700 10.270 -0.778 210 1HB ASP 31 2HB ASP 31 -7.770 11.803 1.465 211 2HB ASP 31 3HB ASP 31 -9.370 11.184 1.607 212 H THR 32 H THR 32 -10.732 11.841 0.147 213 HA THR 32 HA THR 32 -12.341 9.474 -0.460 214 HB THR 32 HB THR 32 -12.903 12.295 0.445 215 HG1 THR 32 1HG THR 32 -13.658 11.186 2.156 216 1HG2 THR 32 1HG2 THR 32 -15.313 11.926 0.423 217 2HG2 THR 32 2HG2 THR 32 -14.725 11.824 -1.234 218 3HG2 THR 32 3HG2 THR 32 -15.076 10.324 -0.359 219 H ASP 33 H ASP 33 -11.223 12.246 -2.312 220 HA ASP 33 HA ASP 33 -13.117 12.298 -4.400 221 1HB ASP 33 2HB ASP 33 -11.365 14.009 -4.158 222 2HB ASP 33 3HB ASP 33 -10.136 12.783 -4.448 223 H CYS 34 H CYS 34 -9.870 10.874 -4.682 224 HA CYS 34 HA CYS 34 -10.804 9.070 -6.771 225 1HB CYS 34 2HB CYS 34 -8.122 9.598 -5.458 226 2HB CYS 34 3HB CYS 34 -8.366 8.227 -6.529 227 H SER 35 H SER 35 -12.368 8.177 -5.213 228 HA SER 35 HA SER 35 -11.544 5.572 -4.398 229 1HB SER 35 2HB SER 35 -10.725 7.146 -2.451 230 2HB SER 35 3HB SER 35 -12.433 7.204 -1.997 231 HG SER 35 HG SER 35 -11.507 5.494 -0.992 232 H VAL 36 H VAL 36 -13.435 4.307 -3.997 233 HA VAL 36 HA VAL 36 -15.960 5.451 -4.746 234 HB VAL 36 HB VAL 36 -15.694 2.639 -3.797 235 1HG1 VAL 36 1HG1 VAL 36 -17.557 4.207 -5.482 236 2HG1 VAL 36 2HG1 VAL 36 -17.089 2.688 -6.232 237 3HG1 VAL 36 3HG1 VAL 36 -17.803 2.674 -4.621 238 1HG2 VAL 36 1HG2 VAL 36 -14.995 2.165 -6.342 239 2HG2 VAL 36 2HG2 VAL 36 -14.276 3.765 -6.196 240 3HG2 VAL 36 3HG2 VAL 36 -13.809 2.467 -5.069 241 H LYS 37 H LYS 37 -17.822 4.187 -3.300 242 HA LYS 37 HA LYS 37 -17.543 4.077 -0.548 243 1HB LYS 37 2HB LYS 37 -17.300 6.794 -1.295 244 2HB LYS 37 3HB LYS 37 -18.990 6.682 -0.948 245 1HG LYS 37 2HG LYS 37 -18.122 5.382 1.262 246 2HG LYS 37 3HG LYS 37 -16.573 6.114 0.807 247 1HD LYS 37 2HD LYS 37 -18.168 8.290 0.558 248 2HD LYS 37 3HD LYS 37 -19.132 7.388 1.745 249 1HE LYS 37 2HE LYS 37 -17.499 7.529 3.391 250 2HE LYS 37 3HE LYS 37 -16.164 7.625 2.227 251 1HZ LYS 37 1HZ LYS 37 -16.958 9.754 3.486 252 2HZ LYS 37 2HZ LYS 37 -16.451 9.825 1.915 253 3HZ LYS 37 3HZ LYS 37 -18.064 9.826 2.259 254 H ASP 38 H ASP 38 -20.120 5.431 0.003 255 HA ASP 38 HA ASP 38 -21.908 3.266 -0.937 256 1HB ASP 38 2HB ASP 38 -21.632 4.306 1.557 257 2HB ASP 38 3HB ASP 38 -22.762 5.496 0.911 258 H VAL 39 H VAL 39 -24.133 4.020 -1.488 259 HA VAL 39 HA VAL 39 -24.294 6.655 -2.863 260 HB VAL 39 HB VAL 39 -24.731 3.962 -4.161 261 1HG1 VAL 39 1HG1 VAL 39 -26.240 6.373 -4.650 262 2HG1 VAL 39 2HG1 VAL 39 -25.185 6.150 -6.031 263 3HG1 VAL 39 3HG1 VAL 39 -26.271 4.840 -5.524 264 1HG2 VAL 39 1HG2 VAL 39 -23.112 6.142 -5.471 265 2HG2 VAL 39 2HG2 VAL 39 -22.375 5.313 -4.132 266 3HG2 VAL 39 3HG2 VAL 39 -22.911 4.363 -5.491 267 H LYS 40 H LYS 40 -25.446 6.962 -0.875 268 HA LYS 40 HA LYS 40 -27.712 5.649 -0.021 269 1HB LYS 40 2HB LYS 40 -27.025 8.608 -0.093 270 2HB LYS 40 3HB LYS 40 -28.566 8.092 0.560 271 1HG LYS 40 2HG LYS 40 -26.152 6.585 1.566 272 2HG LYS 40 3HG LYS 40 -26.239 8.272 2.018 273 1HD LYS 40 2HD LYS 40 -27.465 7.512 3.759 274 2HD LYS 40 3HD LYS 40 -28.812 7.561 2.643 275 1HE LYS 40 2HE LYS 40 -27.118 5.073 2.605 276 2HE LYS 40 3HE LYS 40 -28.059 5.347 4.073 277 1HZ LYS 40 1HZ LYS 40 -29.173 4.071 2.178 278 2HZ LYS 40 2HZ LYS 40 -30.057 5.272 2.873 279 3HZ LYS 40 3HZ LYS 40 -29.338 5.524 1.428 280 H GLU 41 H GLU 41 -29.790 5.357 -0.615 281 HA GLU 41 HA GLU 41 -30.405 5.736 -3.359 282 1HB GLU 41 2HB GLU 41 -32.508 4.728 -2.835 283 2HB GLU 41 3HB GLU 41 -31.263 3.872 -1.929 284 1HG GLU 41 2HG GLU 41 -31.873 4.878 0.144 285 2HG GLU 41 3HG GLU 41 -32.831 6.143 -0.620 286 H LYS 42 H LYS 42 -32.610 6.719 -3.962 287 HA LYS 42 HA LYS 42 -32.520 9.557 -3.079 288 1HB LYS 42 2HB LYS 42 -32.457 9.013 -5.503 289 2HB LYS 42 3HB LYS 42 -34.021 8.214 -5.375 290 1HG LYS 42 2HG LYS 42 -33.981 10.944 -4.179 291 2HG LYS 42 3HG LYS 42 -33.532 10.959 -5.875 292 1HD LYS 42 2HD LYS 42 -35.634 10.404 -6.605 293 2HD LYS 42 3HD LYS 42 -35.921 9.268 -5.287 294 1HE LYS 42 2HE LYS 42 -37.362 10.745 -4.539 295 2HE LYS 42 3HE LYS 42 -35.950 11.470 -3.797 296 1HZ LYS 42 1HZ LYS 42 -35.881 13.123 -5.392 297 2HZ LYS 42 2HZ LYS 42 -36.770 12.262 -6.493 298 3HZ LYS 42 3HZ LYS 42 -37.509 12.920 -5.175 299 H LEU 43 H LEU 43 -33.541 9.714 -1.209 300 HA LEU 43 HA LEU 43 -35.570 8.257 -0.091 301 1HB LEU 43 2HB LEU 43 -34.384 10.878 0.314 302 2HB LEU 43 3HB LEU 43 -36.102 11.084 0.442 303 HG LEU 43 HG LEU 43 -35.119 8.717 1.962 304 1HD1 LEU 43 1HD1 LEU 43 -34.038 11.486 2.529 305 2HD1 LEU 43 2HD1 LEU 43 -34.249 10.275 3.812 306 3HD1 LEU 43 3HD1 LEU 43 -33.190 9.925 2.438 307 1HD2 LEU 43 1HD2 LEU 43 -36.819 11.139 2.691 308 2HD2 LEU 43 2HD2 LEU 43 -37.409 9.542 2.185 309 3HD2 LEU 43 3HD2 LEU 43 -36.544 9.712 3.715 310 H GLU 44 H GLU 44 -37.923 8.673 0.219 311 HA GLU 44 HA GLU 44 -39.171 9.903 -2.182 312 1HB GLU 44 2HB GLU 44 -38.758 7.372 -2.361 313 2HB GLU 44 3HB GLU 44 -40.042 7.202 -1.150 314 1HG GLU 44 2HG GLU 44 -41.683 8.154 -2.572 315 2HG GLU 44 3HG GLU 44 -40.495 8.921 -3.619 316 H ASN 45 H ASN 45 -41.590 9.987 -1.885 317 HA ASN 45 HA ASN 45 -42.630 9.946 0.733 318 1HB ASN 45 2HB ASN 45 -41.078 12.222 0.338 319 2HB ASN 45 3HB ASN 45 -42.648 12.794 -0.222 320 1HD2 ASN 45 1HD2 ASN 45 -40.844 13.126 2.254 321 2HD2 ASN 45 2HD2 ASN 45 -42.019 12.964 3.576 322 H TYR 46 H TYR 46 -44.822 10.962 0.742 323 HA TYR 46 HA TYR 46 -46.092 10.734 -1.965 324 1HB TYR 46 2HB TYR 46 -46.492 8.963 -0.073 325 2HB TYR 46 3HB TYR 46 -47.434 10.239 0.694 326 HD1 TYR 46 HD1 TYR 46 -49.737 10.211 0.255 327 HD2 TYR 46 HD2 TYR 46 -47.020 8.615 -2.698 328 HE1 TYR 46 HE1 TYR 46 -51.667 9.527 -1.143 329 HE2 TYR 46 HE2 TYR 46 -48.970 7.936 -4.107 330 HH TYR 46 HH TYR 46 -52.173 7.909 -2.905 331 H LYS 47 H LYS 47 -48.303 11.817 -1.918 332 HA LYS 47 HA LYS 47 -48.201 14.364 -0.418 333 1HB LYS 47 2HB LYS 47 -48.863 15.619 -2.405 334 2HB LYS 47 3HB LYS 47 -47.289 14.884 -2.598 335 1HG LYS 47 2HG LYS 47 -47.950 13.695 -4.403 336 2HG LYS 47 3HG LYS 47 -49.315 13.006 -3.554 337 1HD LYS 47 2HD LYS 47 -50.243 15.590 -4.023 338 2HD LYS 47 3HD LYS 47 -49.203 15.280 -5.427 339 1HE LYS 47 2HE LYS 47 -50.558 12.922 -5.322 340 2HE LYS 47 3HE LYS 47 -51.722 13.928 -4.454 341 1HZ LYS 47 1HZ LYS 47 -50.639 14.444 -7.163 342 2HZ LYS 47 2HZ LYS 47 -52.183 13.986 -6.817 343 3HZ LYS 47 3HZ LYS 47 -51.638 15.476 -6.361 344 HA PRO 48 HA PRO 48 -52.390 13.476 0.389 345 1HB PRO 48 2HB PRO 48 -53.394 16.054 0.862 346 2HB PRO 48 3HB PRO 48 -52.436 15.073 2.001 347 1HG PRO 48 2HG PRO 48 -51.607 17.434 0.397 348 2HG PRO 48 3HG PRO 48 -50.895 16.767 1.900 349 1HD PRO 48 2HD PRO 48 -49.976 16.449 -0.778 350 2HD PRO 48 3HD PRO 48 -49.322 15.687 0.700 351 H LYS 49 H LYS 49 -54.672 14.748 -0.181 352 HA LYS 49 HA LYS 49 -54.729 14.894 -3.146 353 1HB LYS 49 2HB LYS 49 -55.820 12.817 -1.844 354 2HB LYS 49 3HB LYS 49 -57.114 13.974 -1.530 355 1HG LYS 49 2HG LYS 49 -56.342 14.177 -4.338 356 2HG LYS 49 3HG LYS 49 -56.492 12.466 -3.944 357 1HD LYS 49 2HD LYS 49 -58.780 12.846 -3.093 358 2HD LYS 49 3HD LYS 49 -58.582 14.595 -3.310 359 1HE LYS 49 2HE LYS 49 -57.928 13.669 -5.822 360 2HE LYS 49 3HE LYS 49 -59.113 12.454 -5.336 361 1HZ LYS 49 1HZ LYS 49 -59.819 15.226 -4.801 362 2HZ LYS 49 2HZ LYS 49 -59.794 14.804 -6.395 363 3HZ LYS 49 3HZ LYS 49 -60.774 14.012 -5.333 364 H ASN 50 H ASN 50 -56.750 16.058 -3.851 365 HA ASN 50 HA ASN 50 -56.676 18.747 -3.237 366 1HB ASN 50 2HB ASN 50 -58.549 16.949 -4.648 367 2HB ASN 50 3HB ASN 50 -59.423 18.192 -3.768 368 1HD2 ASN 50 1HD2 ASN 50 -60.089 18.627 -6.025 369 2HD2 ASN 50 2HD2 ASN 50 -59.030 19.771 -6.870 Start of MODEL 13 1 1H ASP 1 H1 ASP 1 0.374 -0.238 -0.226 2 2H ASP 1 H2 ASP 1 1.355 0.924 0.440 3 3H ASP 1 H3 ASP 1 1.688 -0.712 0.640 4 HA ASP 1 HA ASP 1 2.576 0.958 -1.393 5 1HB ASP 1 2HB ASP 1 3.287 -1.491 -0.151 6 2HB ASP 1 3HB ASP 1 2.939 -1.933 -1.825 7 H GLU 2 H GLU 2 1.972 1.158 -3.518 8 HA GLU 2 HA GLU 2 -0.401 -0.416 -4.399 9 1HB GLU 2 2HB GLU 2 0.465 2.325 -4.726 10 2HB GLU 2 3HB GLU 2 0.314 1.565 -6.306 11 1HG GLU 2 2HG GLU 2 -1.970 1.120 -6.047 12 2HG GLU 2 3HG GLU 2 -1.888 1.145 -4.285 13 H ALA 3 H ALA 3 3.006 -0.512 -4.535 14 HA ALA 3 HA ALA 3 3.422 -1.139 -7.232 15 1HB ALA 3 1HB ALA 3 5.550 -1.725 -6.587 16 2HB ALA 3 2HB ALA 3 5.054 -0.838 -5.137 17 3HB ALA 3 3HB ALA 3 4.990 -2.613 -5.159 18 H GLN 4 H GLN 4 2.820 -3.412 -4.537 19 HA GLN 4 HA GLN 4 2.722 -5.803 -5.887 20 1HB GLN 4 2HB GLN 4 0.900 -4.766 -3.691 21 2HB GLN 4 3HB GLN 4 0.892 -6.441 -4.249 22 1HG GLN 4 2HG GLN 4 3.636 -5.760 -3.754 23 2HG GLN 4 3HG GLN 4 2.718 -5.129 -2.392 24 1HE2 GLN 4 1HE2 GLN 4 4.648 -7.474 -2.717 25 2HE2 GLN 4 2HE2 GLN 4 3.695 -8.814 -2.061 26 H PHE 5 H PHE 5 0.362 -3.258 -6.164 27 HA PHE 5 HA PHE 5 -1.564 -4.866 -7.775 28 1HB PHE 5 2HB PHE 5 -2.158 -3.111 -5.911 29 2HB PHE 5 3HB PHE 5 -1.521 -1.901 -7.020 30 HD1 PHE 5 HD1 PHE 5 -4.192 -4.256 -6.387 31 HD2 PHE 5 HD2 PHE 5 -2.615 -1.392 -9.193 32 HE1 PHE 5 HE1 PHE 5 -6.388 -4.119 -7.509 33 HE2 PHE 5 HE2 PHE 5 -4.822 -1.285 -10.318 34 HZ PHE 5 HZ PHE 5 -6.667 -2.696 -9.524 35 H LYS 6 H LYS 6 0.725 -2.065 -8.018 36 HA LYS 6 HA LYS 6 0.207 -1.317 -10.713 37 1HB LYS 6 2HB LYS 6 1.971 0.090 -10.503 38 2HB LYS 6 3HB LYS 6 1.804 -0.284 -8.819 39 1HG LYS 6 2HG LYS 6 4.078 -0.516 -9.157 40 2HG LYS 6 3HG LYS 6 3.600 -2.181 -9.287 41 1HD LYS 6 2HD LYS 6 4.012 -2.371 -11.513 42 2HD LYS 6 3HD LYS 6 3.646 -0.678 -11.872 43 1HE LYS 6 2HE LYS 6 6.085 -1.746 -10.391 44 2HE LYS 6 3HE LYS 6 6.034 -1.293 -12.106 45 1HZ LYS 6 1HZ LYS 6 6.371 0.818 -11.491 46 2HZ LYS 6 2HZ LYS 6 4.966 0.809 -10.646 47 3HZ LYS 6 3HZ LYS 6 6.368 0.408 -9.884 48 H GLU 7 H GLU 7 2.002 -3.989 -9.373 49 HA GLU 7 HA GLU 7 3.151 -4.751 -11.914 50 1HB GLU 7 2HB GLU 7 3.963 -5.321 -9.407 51 2HB GLU 7 3HB GLU 7 2.894 -6.704 -9.651 52 1HG GLU 7 2HG GLU 7 4.162 -7.158 -11.832 53 2HG GLU 7 3HG GLU 7 5.257 -5.857 -11.375 54 H CYS 8 H CYS 8 0.257 -5.539 -10.055 55 HA CYS 8 HA CYS 8 -0.477 -7.772 -11.766 56 1HB CYS 8 2HB CYS 8 -1.290 -6.983 -9.277 57 2HB CYS 8 3HB CYS 8 -2.514 -6.215 -10.270 58 H TYR 9 H TYR 9 -1.350 -4.312 -11.515 59 HA TYR 9 HA TYR 9 -3.186 -4.268 -13.659 60 1HB TYR 9 2HB TYR 9 -2.588 -2.507 -11.825 61 2HB TYR 9 3HB TYR 9 -1.240 -2.039 -12.851 62 HD1 TYR 9 HD1 TYR 9 -1.714 -1.016 -15.135 63 HD2 TYR 9 HD2 TYR 9 -4.840 -1.934 -12.309 64 HE1 TYR 9 HE1 TYR 9 -3.224 0.581 -16.277 65 HE2 TYR 9 HE2 TYR 9 -6.315 -0.322 -13.455 66 HH TYR 9 HH TYR 9 -5.676 1.983 -15.321 67 H ASP 10 H ASP 10 0.297 -3.454 -13.659 68 HA ASP 10 HA ASP 10 0.487 -2.916 -16.447 69 1HB ASP 10 2HB ASP 10 2.170 -2.532 -14.431 70 2HB ASP 10 3HB ASP 10 2.793 -4.109 -14.864 71 H THR 11 H THR 11 1.332 -5.835 -14.573 72 HA THR 11 HA THR 11 2.011 -7.464 -16.800 73 HB THR 11 HB THR 11 1.056 -8.293 -14.004 74 HG1 THR 11 1HG THR 11 3.621 -7.838 -15.197 75 1HG2 THR 11 1HG2 THR 11 2.571 -10.245 -14.438 76 2HG2 THR 11 2HG2 THR 11 1.057 -10.266 -15.351 77 3HG2 THR 11 3HG2 THR 11 2.577 -9.792 -16.163 78 H CYS 12 H CYS 12 -1.079 -7.112 -14.970 79 HA CYS 12 HA CYS 12 -2.561 -9.039 -16.406 80 1HB CYS 12 2HB CYS 12 -3.428 -8.006 -14.362 81 2HB CYS 12 3HB CYS 12 -3.554 -6.464 -15.172 82 H HIS 13 H HIS 13 -1.996 -5.518 -17.003 83 HA HIS 13 HA HIS 13 -3.499 -5.253 -19.350 84 1HB HIS 13 2HB HIS 13 -2.005 -3.512 -17.990 85 2HB HIS 13 3HB HIS 13 -0.830 -3.957 -19.205 86 HD1 HIS 13 HD1 HIS 13 -0.902 -2.310 -21.075 87 HD2 HIS 13 HD2 HIS 13 -4.622 -2.904 -19.226 88 HE1 HIS 13 HE1 HIS 13 -2.542 -0.751 -22.296 89 HE2 HIS 13 HE2 HIS 13 -4.858 -1.123 -21.093 90 H LYS 14 H LYS 14 -0.247 -6.579 -18.984 91 HA LYS 14 HA LYS 14 0.341 -6.948 -21.739 92 1HB LYS 14 2HB LYS 14 1.751 -7.376 -19.490 93 2HB LYS 14 3HB LYS 14 1.215 -9.036 -19.761 94 1HG LYS 14 2HG LYS 14 2.028 -8.749 -22.195 95 2HG LYS 14 3HG LYS 14 2.784 -7.243 -21.622 96 1HD LYS 14 2HD LYS 14 3.755 -8.831 -19.718 97 2HD LYS 14 3HD LYS 14 3.356 -10.122 -20.872 98 1HE LYS 14 2HE LYS 14 4.685 -8.797 -22.613 99 2HE LYS 14 3HE LYS 14 5.154 -7.699 -21.307 100 1HZ LYS 14 1HZ LYS 14 6.104 -10.360 -21.864 101 2HZ LYS 14 2HZ LYS 14 6.833 -9.150 -21.011 102 3HZ LYS 14 3HZ LYS 14 5.731 -10.124 -20.281 103 H GLU 15 H GLU 15 -0.818 -9.567 -19.570 104 HA GLU 15 HA GLU 15 -1.679 -11.279 -21.710 105 1HB GLU 15 2HB GLU 15 -1.172 -11.925 -19.309 106 2HB GLU 15 3HB GLU 15 -2.727 -11.230 -18.857 107 1HG GLU 15 2HG GLU 15 -3.954 -12.861 -19.997 108 2HG GLU 15 3HG GLU 15 -2.659 -13.210 -21.135 109 H CYS 16 H CYS 16 -3.106 -8.474 -20.367 110 HA CYS 16 HA CYS 16 -5.793 -9.057 -21.144 111 1HB CYS 16 2HB CYS 16 -5.185 -7.438 -19.368 112 2HB CYS 16 3HB CYS 16 -4.621 -6.333 -20.617 113 H SER 17 H SER 17 -3.546 -6.546 -22.356 114 HA SER 17 HA SER 17 -4.818 -5.936 -24.796 115 1HB SER 17 2HB SER 17 -2.393 -5.191 -23.527 116 2HB SER 17 3HB SER 17 -1.914 -5.936 -25.038 117 HG SER 17 HG SER 17 -3.403 -3.615 -24.595 118 H ASP 18 H ASP 18 -2.856 -8.751 -23.937 119 HA ASP 18 HA ASP 18 -2.183 -9.824 -26.455 120 1HB ASP 18 2HB ASP 18 -1.368 -10.956 -24.543 121 2HB ASP 18 3HB ASP 18 -2.944 -10.970 -23.792 122 H LYS 19 H LYS 19 -5.365 -9.752 -24.759 123 HA LYS 19 HA LYS 19 -6.673 -11.474 -26.549 124 1HB LYS 19 2HB LYS 19 -7.410 -9.641 -24.355 125 2HB LYS 19 3HB LYS 19 -8.540 -9.554 -25.609 126 1HG LYS 19 2HG LYS 19 -7.766 -12.346 -24.995 127 2HG LYS 19 3HG LYS 19 -8.250 -11.478 -23.539 128 1HD LYS 19 2HD LYS 19 -10.356 -10.749 -24.755 129 2HD LYS 19 3HD LYS 19 -9.822 -11.756 -26.122 130 1HE LYS 19 2HE LYS 19 -9.623 -13.638 -24.296 131 2HE LYS 19 3HE LYS 19 -10.675 -12.601 -23.329 132 1HZ LYS 19 1HZ LYS 19 -12.393 -12.833 -24.902 133 2HZ LYS 19 2HZ LYS 19 -11.372 -13.281 -26.111 134 3HZ LYS 19 3HZ LYS 19 -11.724 -14.345 -24.907 135 H GLY 20 H GLY 20 -5.298 -8.553 -27.204 136 1HA GLY 20 2HA GLY 20 -5.146 -7.383 -29.155 137 2HA GLY 20 3HA GLY 20 -6.419 -8.367 -29.867 138 H ASN 21 H ASN 21 -7.014 -6.922 -26.793 139 HA ASN 21 HA ASN 21 -9.154 -5.264 -27.910 140 1HB ASN 21 2HB ASN 21 -8.501 -6.424 -25.292 141 2HB ASN 21 3HB ASN 21 -9.107 -4.789 -25.185 142 1HD2 ASN 21 1HD2 ASN 21 -10.250 -7.566 -24.635 143 2HD2 ASN 21 2HD2 ASN 21 -11.847 -7.405 -25.397 144 H GLY 22 H GLY 22 -9.396 -3.119 -26.589 145 1HA GLY 22 2HA GLY 22 -7.073 -1.447 -27.354 146 2HA GLY 22 3HA GLY 22 -8.623 -0.859 -26.723 147 H PHE 23 H PHE 23 -5.723 -0.391 -25.998 148 HA PHE 23 HA PHE 23 -4.976 -1.354 -23.533 149 1HB PHE 23 2HB PHE 23 -3.666 0.610 -23.334 150 2HB PHE 23 3HB PHE 23 -3.754 0.297 -25.051 151 HD1 PHE 23 HD1 PHE 23 -4.300 2.691 -22.372 152 HD2 PHE 23 HD2 PHE 23 -5.646 1.654 -26.342 153 HE1 PHE 23 HE1 PHE 23 -5.242 4.939 -22.652 154 HE2 PHE 23 HE2 PHE 23 -6.610 3.907 -26.588 155 HZ PHE 23 HZ PHE 23 -6.378 5.565 -24.762 156 H THR 24 H THR 24 -7.164 1.406 -24.126 157 HA THR 24 HA THR 24 -7.678 2.131 -21.499 158 HB THR 24 HB THR 24 -9.008 2.497 -24.150 159 HG1 THR 24 1HG THR 24 -8.453 4.087 -21.860 160 1HG2 THR 24 1HG2 THR 24 -10.605 2.813 -21.566 161 2HG2 THR 24 2HG2 THR 24 -10.945 3.757 -23.032 162 3HG2 THR 24 3HG2 THR 24 -11.099 2.008 -23.075 163 H PHE 25 H PHE 25 -9.930 0.137 -23.448 164 HA PHE 25 HA PHE 25 -11.569 -0.705 -21.360 165 1HB PHE 25 2HB PHE 25 -12.172 -1.170 -23.646 166 2HB PHE 25 3HB PHE 25 -10.636 -1.968 -23.964 167 HD1 PHE 25 HD1 PHE 25 -10.278 -4.273 -23.510 168 HD2 PHE 25 HD2 PHE 25 -13.844 -2.367 -22.082 169 HE1 PHE 25 HE1 PHE 25 -11.225 -6.488 -22.940 170 HE2 PHE 25 HE2 PHE 25 -14.823 -4.585 -21.571 171 HZ PHE 25 HZ PHE 25 -13.523 -6.653 -22.047 172 H CYS 26 H CYS 26 -8.478 -2.156 -22.507 173 HA CYS 26 HA CYS 26 -8.548 -4.313 -20.730 174 1HB CYS 26 2HB CYS 26 -6.619 -3.058 -22.573 175 2HB CYS 26 3HB CYS 26 -5.875 -3.690 -21.127 176 H GLU 27 H GLU 27 -7.549 -0.948 -20.315 177 HA GLU 27 HA GLU 27 -6.208 -1.297 -17.793 178 1HB GLU 27 2HB GLU 27 -6.830 0.899 -19.679 179 2HB GLU 27 3HB GLU 27 -7.241 1.339 -18.034 180 1HG GLU 27 2HG GLU 27 -4.810 0.212 -17.613 181 2HG GLU 27 3HG GLU 27 -4.605 0.688 -19.270 182 H MET 28 H MET 28 -9.294 0.354 -18.536 183 HA MET 28 HA MET 28 -10.287 0.537 -15.947 184 1HB MET 28 2HB MET 28 -11.291 1.314 -18.272 185 2HB MET 28 3HB MET 28 -12.086 -0.264 -18.262 186 1HG MET 28 2HG MET 28 -12.987 0.361 -15.934 187 2HG MET 28 3HG MET 28 -12.345 1.974 -16.225 188 1HE MET 28 1HE MET 28 -15.328 -0.470 -18.451 189 2HE MET 28 2HE MET 28 -14.560 -0.770 -16.872 190 3HE MET 28 3HE MET 28 -16.094 0.123 -16.954 191 H LYS 29 H LYS 29 -10.029 -2.294 -17.943 192 HA LYS 29 HA LYS 29 -11.720 -3.938 -16.183 193 1HB LYS 29 2HB LYS 29 -11.464 -4.184 -18.783 194 2HB LYS 29 3HB LYS 29 -9.977 -5.036 -18.388 195 1HG LYS 29 2HG LYS 29 -12.750 -5.623 -17.264 196 2HG LYS 29 3HG LYS 29 -12.046 -6.454 -18.650 197 1HD LYS 29 2HD LYS 29 -10.080 -6.739 -16.639 198 2HD LYS 29 3HD LYS 29 -11.606 -6.854 -15.750 199 1HE LYS 29 2HE LYS 29 -11.991 -8.435 -18.019 200 2HE LYS 29 3HE LYS 29 -10.254 -8.605 -17.719 201 1HZ LYS 29 1HZ LYS 29 -10.741 -10.027 -16.084 202 2HZ LYS 29 2HZ LYS 29 -11.424 -8.827 -15.253 203 3HZ LYS 29 3HZ LYS 29 -12.380 -9.749 -16.241 204 H CYS 30 H CYS 30 -8.268 -4.089 -17.196 205 HA CYS 30 HA CYS 30 -7.237 -5.905 -15.388 206 1HB CYS 30 2HB CYS 30 -6.129 -3.384 -16.583 207 2HB CYS 30 3HB CYS 30 -5.174 -4.397 -15.529 208 H ASP 31 H ASP 31 -8.225 -2.554 -14.856 209 HA ASP 31 HA ASP 31 -7.130 -2.120 -12.307 210 1HB ASP 31 2HB ASP 31 -8.542 -0.580 -14.066 211 2HB ASP 31 3HB ASP 31 -9.878 -1.066 -13.086 212 H THR 32 H THR 32 -10.441 -3.064 -13.165 213 HA THR 32 HA THR 32 -11.019 -3.924 -10.418 214 HB THR 32 HB THR 32 -12.533 -3.694 -13.019 215 HG1 THR 32 1HG THR 32 -12.867 -3.100 -10.264 216 1HG2 THR 32 1HG2 THR 32 -14.484 -4.832 -12.154 217 2HG2 THR 32 2HG2 THR 32 -13.168 -6.010 -12.283 218 3HG2 THR 32 3HG2 THR 32 -13.606 -5.353 -10.687 219 H ASP 33 H ASP 33 -9.553 -5.426 -13.148 220 HA ASP 33 HA ASP 33 -10.318 -8.103 -12.877 221 1HB ASP 33 2HB ASP 33 -8.956 -7.352 -14.766 222 2HB ASP 33 3HB ASP 33 -7.648 -6.924 -13.666 223 H CYS 34 H CYS 34 -7.236 -6.743 -11.748 224 HA CYS 34 HA CYS 34 -6.839 -8.859 -9.844 225 1HB CYS 34 2HB CYS 34 -5.080 -7.349 -11.152 226 2HB CYS 34 3HB CYS 34 -5.249 -6.303 -9.755 227 H SER 35 H SER 35 -8.982 -8.254 -9.010 228 HA SER 35 HA SER 35 -8.982 -7.440 -6.363 229 1HB SER 35 2HB SER 35 -9.110 -5.119 -8.085 230 2HB SER 35 3HB SER 35 -10.509 -5.191 -7.000 231 HG SER 35 HG SER 35 -8.314 -4.314 -6.268 232 H VAL 36 H VAL 36 -11.180 -7.552 -5.427 233 HA VAL 36 HA VAL 36 -13.152 -8.852 -7.066 234 HB VAL 36 HB VAL 36 -13.695 -8.027 -4.268 235 1HG1 VAL 36 1HG1 VAL 36 -14.696 -10.066 -6.184 236 2HG1 VAL 36 2HG1 VAL 36 -14.442 -10.683 -4.549 237 3HG1 VAL 36 3HG1 VAL 36 -15.504 -9.294 -4.797 238 1HG2 VAL 36 1HG2 VAL 36 -11.498 -9.890 -5.089 239 2HG2 VAL 36 2HG2 VAL 36 -11.656 -8.821 -3.679 240 3HG2 VAL 36 3HG2 VAL 36 -12.491 -10.383 -3.716 241 H LYS 37 H LYS 37 -15.539 -7.954 -6.218 242 HA LYS 37 HA LYS 37 -15.936 -5.172 -6.118 243 1HB LYS 37 2HB LYS 37 -16.771 -4.709 -8.407 244 2HB LYS 37 3HB LYS 37 -15.065 -5.081 -8.433 245 1HG LYS 37 2HG LYS 37 -15.298 -7.098 -9.481 246 2HG LYS 37 3HG LYS 37 -16.893 -7.448 -8.834 247 1HD LYS 37 2HD LYS 37 -18.017 -6.280 -10.440 248 2HD LYS 37 3HD LYS 37 -16.764 -5.047 -10.596 249 1HE LYS 37 2HE LYS 37 -16.327 -6.029 -12.551 250 2HE LYS 37 3HE LYS 37 -15.327 -7.077 -11.549 251 1HZ LYS 37 1HZ LYS 37 -17.207 -8.631 -11.437 252 2HZ LYS 37 2HZ LYS 37 -18.122 -7.643 -12.376 253 3HZ LYS 37 3HZ LYS 37 -16.782 -8.367 -13.008 254 H ASP 38 H ASP 38 -18.356 -4.924 -7.424 255 HA ASP 38 HA ASP 38 -20.028 -6.930 -6.016 256 1HB ASP 38 2HB ASP 38 -19.996 -4.157 -5.695 257 2HB ASP 38 3HB ASP 38 -21.273 -4.371 -6.871 258 H VAL 39 H VAL 39 -20.955 -8.335 -7.339 259 HA VAL 39 HA VAL 39 -21.759 -7.439 -10.075 260 HB VAL 39 HB VAL 39 -19.777 -8.991 -9.942 261 1HG1 VAL 39 1HG1 VAL 39 -19.811 -11.049 -9.019 262 2HG1 VAL 39 2HG1 VAL 39 -21.302 -10.551 -8.214 263 3HG1 VAL 39 3HG1 VAL 39 -21.395 -11.428 -9.731 264 1HG2 VAL 39 1HG2 VAL 39 -20.585 -8.849 -12.071 265 2HG2 VAL 39 2HG2 VAL 39 -21.021 -10.549 -11.776 266 3HG2 VAL 39 3HG2 VAL 39 -22.235 -9.285 -11.611 267 H LYS 40 H LYS 40 -23.550 -6.844 -8.318 268 HA LYS 40 HA LYS 40 -25.245 -8.689 -7.200 269 1HB LYS 40 2HB LYS 40 -25.934 -6.090 -8.596 270 2HB LYS 40 3HB LYS 40 -27.110 -7.054 -7.702 271 1HG LYS 40 2HG LYS 40 -25.383 -6.983 -5.740 272 2HG LYS 40 3HG LYS 40 -24.632 -5.647 -6.619 273 1HD LYS 40 2HD LYS 40 -27.606 -5.722 -5.980 274 2HD LYS 40 3HD LYS 40 -26.432 -5.121 -4.807 275 1HE LYS 40 2HE LYS 40 -25.903 -3.245 -6.012 276 2HE LYS 40 3HE LYS 40 -26.194 -4.012 -7.574 277 1HZ LYS 40 1HZ LYS 40 -28.567 -3.886 -7.159 278 2HZ LYS 40 2HZ LYS 40 -28.320 -3.182 -5.689 279 3HZ LYS 40 3HZ LYS 40 -27.913 -2.381 -7.068 280 H GLU 41 H GLU 41 -25.448 -10.594 -8.251 281 HA GLU 41 HA GLU 41 -26.636 -10.738 -10.946 282 1HB GLU 41 2HB GLU 41 -24.931 -12.510 -9.243 283 2HB GLU 41 3HB GLU 41 -26.056 -13.318 -10.305 284 1HG GLU 41 2HG GLU 41 -24.556 -11.117 -11.626 285 2HG GLU 41 3HG GLU 41 -23.575 -12.469 -11.077 286 H LYS 42 H LYS 42 -28.221 -9.781 -8.926 287 HA LYS 42 HA LYS 42 -30.182 -11.982 -8.548 288 1HB LYS 42 2HB LYS 42 -29.096 -10.521 -6.513 289 2HB LYS 42 3HB LYS 42 -30.431 -9.474 -6.927 290 1HG LYS 42 2HG LYS 42 -31.391 -12.237 -6.923 291 2HG LYS 42 3HG LYS 42 -30.452 -11.974 -5.465 292 1HD LYS 42 2HD LYS 42 -31.913 -10.294 -4.689 293 2HD LYS 42 3HD LYS 42 -32.540 -9.952 -6.319 294 1HE LYS 42 2HE LYS 42 -33.570 -12.212 -6.388 295 2HE LYS 42 3HE LYS 42 -33.122 -12.454 -4.696 296 1HZ LYS 42 1HZ LYS 42 -35.444 -11.537 -5.138 297 2HZ LYS 42 2HZ LYS 42 -34.548 -10.607 -4.107 298 3HZ LYS 42 3HZ LYS 42 -34.779 -10.179 -5.693 299 H LEU 43 H LEU 43 -29.839 -10.746 -10.984 300 HA LEU 43 HA LEU 43 -31.463 -8.605 -11.619 301 1HB LEU 43 2HB LEU 43 -30.018 -10.554 -13.009 302 2HB LEU 43 3HB LEU 43 -31.639 -10.861 -13.544 303 HG LEU 43 HG LEU 43 -30.672 -8.020 -13.552 304 1HD1 LEU 43 1HD1 LEU 43 -29.265 -8.143 -15.314 305 2HD1 LEU 43 2HD1 LEU 43 -28.957 -9.758 -14.670 306 3HD1 LEU 43 3HD1 LEU 43 -30.062 -9.566 -16.030 307 1HD2 LEU 43 1HD2 LEU 43 -32.104 -8.897 -15.942 308 2HD2 LEU 43 2HD2 LEU 43 -33.008 -9.324 -14.504 309 3HD2 LEU 43 3HD2 LEU 43 -32.530 -7.638 -14.775 310 H GLU 44 H GLU 44 -33.639 -8.494 -12.558 311 HA GLU 44 HA GLU 44 -35.457 -10.644 -12.073 312 1HB GLU 44 2HB GLU 44 -34.873 -9.018 -9.784 313 2HB GLU 44 3HB GLU 44 -36.454 -8.499 -10.370 314 1HG GLU 44 2HG GLU 44 -36.973 -11.064 -10.519 315 2HG GLU 44 3HG GLU 44 -35.553 -11.266 -9.497 316 H ASN 45 H ASN 45 -37.059 -10.406 -13.438 317 HA ASN 45 HA ASN 45 -37.227 -8.022 -15.107 318 1HB ASN 45 2HB ASN 45 -38.485 -10.735 -14.998 319 2HB ASN 45 3HB ASN 45 -39.553 -9.479 -15.589 320 1HD2 ASN 45 1HD2 ASN 45 -38.971 -11.474 -17.264 321 2HD2 ASN 45 2HD2 ASN 45 -37.876 -10.830 -18.500 322 H TYR 46 H TYR 46 -39.431 -7.039 -15.508 323 HA TYR 46 HA TYR 46 -40.844 -6.511 -12.938 324 1HB TYR 46 2HB TYR 46 -40.729 -4.195 -13.312 325 2HB TYR 46 3HB TYR 46 -39.090 -4.764 -13.616 326 HD1 TYR 46 HD1 TYR 46 -38.271 -4.986 -16.019 327 HD2 TYR 46 HD2 TYR 46 -42.098 -3.252 -15.084 328 HE1 TYR 46 HE1 TYR 46 -38.372 -3.997 -18.289 329 HE2 TYR 46 HE2 TYR 46 -42.195 -2.248 -17.377 330 HH TYR 46 HH TYR 46 -39.470 -2.486 -19.605 331 H LYS 47 H LYS 47 -42.982 -6.285 -13.149 332 HA LYS 47 HA LYS 47 -44.580 -5.521 -15.292 333 1HB LYS 47 2HB LYS 47 -43.549 -8.292 -15.596 334 2HB LYS 47 3HB LYS 47 -45.284 -8.239 -15.576 335 1HG LYS 47 2HG LYS 47 -43.968 -6.128 -17.236 336 2HG LYS 47 3HG LYS 47 -43.710 -7.777 -17.786 337 1HD LYS 47 2HD LYS 47 -45.878 -8.095 -18.387 338 2HD LYS 47 3HD LYS 47 -46.537 -7.177 -17.029 339 1HE LYS 47 2HE LYS 47 -46.851 -5.377 -18.276 340 2HE LYS 47 3HE LYS 47 -45.127 -5.281 -18.597 341 1HZ LYS 47 1HZ LYS 47 -45.827 -7.213 -20.279 342 2HZ LYS 47 2HZ LYS 47 -47.225 -6.341 -20.285 343 3HZ LYS 47 3HZ LYS 47 -45.796 -5.628 -20.708 344 HA PRO 48 HA PRO 48 -47.349 -7.647 -12.102 345 1HB PRO 48 2HB PRO 48 -46.262 -9.395 -10.223 346 2HB PRO 48 3HB PRO 48 -46.925 -9.871 -11.793 347 1HG PRO 48 2HG PRO 48 -44.076 -9.701 -10.934 348 2HG PRO 48 3HG PRO 48 -44.821 -10.655 -12.232 349 1HD PRO 48 2HD PRO 48 -43.394 -8.214 -12.462 350 2HD PRO 48 3HD PRO 48 -44.235 -9.137 -13.736 351 H LYS 49 H LYS 49 -46.318 -5.270 -11.902 352 HA LYS 49 HA LYS 49 -44.837 -4.412 -9.726 353 1HB LYS 49 2HB LYS 49 -46.099 -3.104 -11.699 354 2HB LYS 49 3HB LYS 49 -47.327 -2.841 -10.485 355 1HG LYS 49 2HG LYS 49 -44.386 -2.238 -9.973 356 2HG LYS 49 3HG LYS 49 -45.479 -1.089 -10.735 357 1HD LYS 49 2HD LYS 49 -46.981 -1.752 -8.534 358 2HD LYS 49 3HD LYS 49 -45.380 -2.032 -7.876 359 1HE LYS 49 2HE LYS 49 -45.661 0.475 -9.469 360 2HE LYS 49 3HE LYS 49 -46.745 0.400 -8.085 361 1HZ LYS 49 1HZ LYS 49 -45.041 0.819 -6.745 362 2HZ LYS 49 2HZ LYS 49 -44.199 -0.477 -7.300 363 3HZ LYS 49 3HZ LYS 49 -44.029 0.987 -8.040 364 H ASN 50 H ASN 50 -48.391 -4.447 -9.574 365 HA ASN 50 HA ASN 50 -48.260 -4.972 -6.641 366 1HB ASN 50 2HB ASN 50 -50.457 -3.851 -8.446 367 2HB ASN 50 3HB ASN 50 -50.689 -4.266 -6.759 368 1HD2 ASN 50 1HD2 ASN 50 -50.414 -1.695 -8.600 369 2HD2 ASN 50 2HD2 ASN 50 -49.568 -0.637 -7.454 Start of MODEL 14 1 1H ASP 1 H1 ASP 1 1.162 -0.892 0.326 2 2H ASP 1 H2 ASP 1 0.483 0.588 -0.040 3 3H ASP 1 H3 ASP 1 1.933 0.401 0.793 4 HA ASP 1 HA ASP 1 1.601 0.532 -2.017 5 1HB ASP 1 2HB ASP 1 4.132 0.422 -1.939 6 2HB ASP 1 3HB ASP 1 3.374 1.733 -1.026 7 H GLU 2 H GLU 2 0.799 -2.186 -0.386 8 HA GLU 2 HA GLU 2 2.530 -4.121 -1.322 9 1HB GLU 2 2HB GLU 2 -0.111 -3.857 -0.121 10 2HB GLU 2 3HB GLU 2 -0.174 -5.092 -1.364 11 1HG GLU 2 2HG GLU 2 1.478 -6.429 -0.385 12 2HG GLU 2 3HG GLU 2 2.115 -5.115 0.622 13 H ALA 3 H ALA 3 0.358 -2.115 -3.072 14 HA ALA 3 HA ALA 3 -0.383 -3.716 -5.281 15 1HB ALA 3 1HB ALA 3 0.409 -0.978 -6.038 16 2HB ALA 3 2HB ALA 3 -1.174 -1.757 -6.076 17 3HB ALA 3 3HB ALA 3 -0.585 -0.974 -4.570 18 H GLN 4 H GLN 4 2.582 -1.646 -4.920 19 HA GLN 4 HA GLN 4 3.857 -2.286 -7.304 20 1HB GLN 4 2HB GLN 4 4.889 -1.826 -4.472 21 2HB GLN 4 3HB GLN 4 6.011 -2.149 -5.791 22 1HG GLN 4 2HG GLN 4 3.949 0.070 -6.006 23 2HG GLN 4 3HG GLN 4 5.529 0.324 -5.245 24 1HE2 GLN 4 1HE2 GLN 4 3.871 -0.460 -8.319 25 2HE2 GLN 4 2HE2 GLN 4 5.289 -0.146 -9.299 26 H PHE 5 H PHE 5 3.385 -4.405 -4.611 27 HA PHE 5 HA PHE 5 5.096 -6.551 -5.719 28 1HB PHE 5 2HB PHE 5 4.874 -5.859 -3.210 29 2HB PHE 5 3HB PHE 5 3.263 -6.562 -3.279 30 HD1 PHE 5 HD1 PHE 5 6.724 -7.269 -2.968 31 HD2 PHE 5 HD2 PHE 5 2.858 -8.979 -3.935 32 HE1 PHE 5 HE1 PHE 5 7.539 -9.545 -2.422 33 HE2 PHE 5 HE2 PHE 5 3.753 -11.248 -3.458 34 HZ PHE 5 HZ PHE 5 6.114 -11.534 -2.812 35 H LYS 6 H LYS 6 1.662 -5.802 -5.051 36 HA LYS 6 HA LYS 6 0.579 -8.329 -5.909 37 1HB LYS 6 2HB LYS 6 -0.508 -6.173 -4.674 38 2HB LYS 6 3HB LYS 6 -1.001 -5.762 -6.332 39 1HG LYS 6 2HG LYS 6 -2.166 -7.907 -6.556 40 2HG LYS 6 3HG LYS 6 -1.450 -8.480 -5.038 41 1HD LYS 6 2HD LYS 6 -2.685 -6.230 -4.110 42 2HD LYS 6 3HD LYS 6 -3.739 -6.594 -5.479 43 1HE LYS 6 2HE LYS 6 -2.980 -8.953 -3.794 44 2HE LYS 6 3HE LYS 6 -3.840 -7.703 -2.899 45 1HZ LYS 6 1HZ LYS 6 -4.792 -8.929 -5.429 46 2HZ LYS 6 2HZ LYS 6 -5.352 -9.317 -3.930 47 3HZ LYS 6 3HZ LYS 6 -5.604 -7.806 -4.549 48 H GLU 7 H GLU 7 1.738 -5.557 -7.657 49 HA GLU 7 HA GLU 7 0.652 -6.497 -10.183 50 1HB GLU 7 2HB GLU 7 1.395 -4.016 -9.354 51 2HB GLU 7 3HB GLU 7 2.915 -4.533 -10.114 52 1HG GLU 7 2HG GLU 7 1.611 -5.101 -12.191 53 2HG GLU 7 3HG GLU 7 0.147 -4.499 -11.404 54 H CYS 8 H CYS 8 3.657 -6.819 -8.312 55 HA CYS 8 HA CYS 8 5.116 -7.960 -10.624 56 1HB CYS 8 2HB CYS 8 5.901 -6.830 -8.222 57 2HB CYS 8 3HB CYS 8 5.886 -8.537 -7.802 58 H TYR 9 H TYR 9 3.383 -9.153 -7.729 59 HA TYR 9 HA TYR 9 3.858 -11.927 -8.193 60 1HB TYR 9 2HB TYR 9 2.853 -10.621 -6.159 61 2HB TYR 9 3HB TYR 9 1.332 -10.653 -7.023 62 HD1 TYR 9 HD1 TYR 9 0.180 -12.852 -7.516 63 HD2 TYR 9 HD2 TYR 9 3.757 -12.566 -5.069 64 HE1 TYR 9 HE1 TYR 9 -0.309 -15.023 -6.498 65 HE2 TYR 9 HE2 TYR 9 3.170 -14.749 -4.075 66 HH TYR 9 HH TYR 9 2.116 -16.699 -4.441 67 H ASP 10 H ASP 10 1.038 -9.890 -9.109 68 HA ASP 10 HA ASP 10 -0.375 -11.964 -10.492 69 1HB ASP 10 2HB ASP 10 -1.059 -9.485 -9.766 70 2HB ASP 10 3HB ASP 10 -0.518 -9.050 -11.377 71 H THR 11 H THR 11 1.739 -9.332 -11.719 72 HA THR 11 HA THR 11 1.692 -10.153 -14.422 73 HB THR 11 HB THR 11 3.778 -8.515 -12.947 74 HG1 THR 11 1HG THR 11 1.406 -7.892 -14.430 75 1HG2 THR 11 1HG2 THR 11 3.197 -8.911 -15.859 76 2HG2 THR 11 2HG2 THR 11 3.860 -7.371 -15.230 77 3HG2 THR 11 3HG2 THR 11 4.781 -8.869 -15.003 78 H CYS 12 H CYS 12 4.032 -10.845 -11.795 79 HA CYS 12 HA CYS 12 5.866 -12.376 -13.332 80 1HB CYS 12 2HB CYS 12 6.374 -11.607 -11.058 81 2HB CYS 12 3HB CYS 12 5.115 -12.701 -10.391 82 H HIS 13 H HIS 13 2.865 -13.278 -11.542 83 HA HIS 13 HA HIS 13 2.915 -16.039 -12.075 84 1HB HIS 13 2HB HIS 13 1.162 -14.496 -10.754 85 2HB HIS 13 3HB HIS 13 0.329 -14.592 -12.282 86 HD1 HIS 13 HD1 HIS 13 -1.492 -16.281 -11.812 87 HD2 HIS 13 HD2 HIS 13 2.255 -17.289 -10.149 88 HE1 HIS 13 HE1 HIS 13 -1.739 -18.593 -10.662 89 HE2 HIS 13 HE2 HIS 13 0.532 -19.281 -9.758 90 H LYS 14 H LYS 14 1.864 -13.378 -14.152 91 HA LYS 14 HA LYS 14 0.803 -14.994 -16.300 92 1HB LYS 14 2HB LYS 14 1.374 -12.199 -15.827 93 2HB LYS 14 3HB LYS 14 2.126 -12.622 -17.376 94 1HG LYS 14 2HG LYS 14 0.010 -13.473 -18.185 95 2HG LYS 14 3HG LYS 14 -0.732 -13.268 -16.565 96 1HD LYS 14 2HD LYS 14 -0.283 -10.815 -16.687 97 2HD LYS 14 3HD LYS 14 0.366 -11.051 -18.334 98 1HE LYS 14 2HE LYS 14 -1.860 -12.092 -18.948 99 2HE LYS 14 3HE LYS 14 -2.481 -11.607 -17.358 100 1HZ LYS 14 1HZ LYS 14 -2.419 -9.388 -17.947 101 2HZ LYS 14 2HZ LYS 14 -1.198 -9.574 -19.028 102 3HZ LYS 14 3HZ LYS 14 -2.728 -10.033 -19.431 103 H GLU 15 H GLU 15 4.031 -13.419 -16.348 104 HA GLU 15 HA GLU 15 5.040 -15.122 -18.446 105 1HB GLU 15 2HB GLU 15 5.993 -12.865 -17.565 106 2HB GLU 15 3HB GLU 15 6.683 -13.821 -16.251 107 1HG GLU 15 2HG GLU 15 7.408 -15.259 -18.593 108 2HG GLU 15 3HG GLU 15 7.463 -13.601 -19.113 109 H CYS 16 H CYS 16 4.578 -15.713 -15.076 110 HA CYS 16 HA CYS 16 6.420 -17.873 -14.868 111 1HB CYS 16 2HB CYS 16 5.596 -16.612 -12.926 112 2HB CYS 16 3HB CYS 16 3.981 -17.335 -13.143 113 H SER 17 H SER 17 2.840 -17.959 -14.656 114 HA SER 17 HA SER 17 2.446 -20.691 -15.199 115 1HB SER 17 2HB SER 17 0.781 -18.420 -14.855 116 2HB SER 17 3HB SER 17 0.396 -19.025 -16.462 117 HG SER 17 HG SER 17 -0.823 -20.018 -14.833 118 H ASP 18 H ASP 18 3.282 -18.066 -17.436 119 HA ASP 18 HA ASP 18 2.603 -19.184 -19.943 120 1HB ASP 18 2HB ASP 18 3.467 -16.977 -19.957 121 2HB ASP 18 3HB ASP 18 4.785 -17.427 -18.922 122 H LYS 19 H LYS 19 5.312 -19.960 -17.701 123 HA LYS 19 HA LYS 19 6.653 -21.640 -19.517 124 1HB LYS 19 2HB LYS 19 6.817 -20.959 -16.612 125 2HB LYS 19 3HB LYS 19 7.044 -22.618 -16.854 126 1HG LYS 19 2HG LYS 19 8.543 -20.960 -18.842 127 2HG LYS 19 3HG LYS 19 8.813 -20.412 -17.199 128 1HD LYS 19 2HD LYS 19 9.223 -22.969 -16.664 129 2HD LYS 19 3HD LYS 19 9.359 -23.151 -18.422 130 1HE LYS 19 2HE LYS 19 10.867 -20.953 -16.972 131 2HE LYS 19 3HE LYS 19 11.465 -22.617 -16.826 132 1HZ LYS 19 1HZ LYS 19 12.050 -22.660 -19.016 133 2HZ LYS 19 2HZ LYS 19 10.820 -21.676 -19.498 134 3HZ LYS 19 3HZ LYS 19 12.158 -21.014 -18.823 135 H GLY 20 H GLY 20 3.683 -22.023 -18.247 136 1HA GLY 20 2HA GLY 20 2.081 -23.650 -18.564 137 2HA GLY 20 3HA GLY 20 3.344 -24.696 -19.291 138 H ASN 21 H ASN 21 3.909 -23.228 -16.193 139 HA ASN 21 HA ASN 21 4.103 -25.860 -14.915 140 1HB ASN 21 2HB ASN 21 5.067 -23.135 -14.380 141 2HB ASN 21 3HB ASN 21 4.530 -23.966 -12.949 142 1HD2 ASN 21 1HD2 ASN 21 7.202 -23.232 -14.056 143 2HD2 ASN 21 2HD2 ASN 21 8.095 -24.786 -13.874 144 H GLY 22 H GLY 22 3.326 -25.727 -12.525 145 1HA GLY 22 2HA GLY 22 0.370 -25.621 -12.660 146 2HA GLY 22 3HA GLY 22 1.353 -26.152 -11.243 147 H PHE 23 H PHE 23 -0.806 -23.949 -12.087 148 HA PHE 23 HA PHE 23 -0.150 -21.408 -11.508 149 1HB PHE 23 2HB PHE 23 -2.506 -22.962 -11.399 150 2HB PHE 23 3HB PHE 23 -2.393 -22.360 -9.771 151 HD1 PHE 23 HD1 PHE 23 -3.826 -20.611 -9.377 152 HD2 PHE 23 HD2 PHE 23 -1.661 -20.846 -13.125 153 HE1 PHE 23 HE1 PHE 23 -4.850 -18.475 -10.099 154 HE2 PHE 23 HE2 PHE 23 -2.686 -18.678 -13.853 155 HZ PHE 23 HZ PHE 23 -4.299 -17.509 -12.329 156 H THR 24 H THR 24 -0.927 -23.627 -8.857 157 HA THR 24 HA THR 24 -0.196 -22.105 -6.676 158 HB THR 24 HB THR 24 -0.436 -25.008 -7.246 159 HG1 THR 24 1HG THR 24 -2.031 -24.577 -5.933 160 1HG2 THR 24 1HG2 THR 24 1.297 -24.016 -4.959 161 2HG2 THR 24 2HG2 THR 24 0.411 -25.548 -4.873 162 3HG2 THR 24 3HG2 THR 24 1.646 -25.346 -6.104 163 H PHE 25 H PHE 25 2.027 -24.483 -8.217 164 HA PHE 25 HA PHE 25 4.367 -23.731 -6.888 165 1HB PHE 25 2HB PHE 25 4.265 -25.678 -8.335 166 2HB PHE 25 3HB PHE 25 3.820 -24.693 -9.716 167 HD1 PHE 25 HD1 PHE 25 5.384 -23.589 -11.119 168 HD2 PHE 25 HD2 PHE 25 6.634 -25.387 -7.404 169 HE1 PHE 25 HE1 PHE 25 7.778 -23.309 -11.776 170 HE2 PHE 25 HE2 PHE 25 9.020 -25.154 -8.100 171 HZ PHE 25 HZ PHE 25 9.568 -24.139 -10.328 172 H CYS 26 H CYS 26 2.918 -22.256 -9.817 173 HA CYS 26 HA CYS 26 5.024 -20.444 -10.255 174 1HB CYS 26 2HB CYS 26 2.298 -20.978 -11.303 175 2HB CYS 26 3HB CYS 26 2.658 -19.261 -11.176 176 H GLU 27 H GLU 27 2.233 -20.392 -8.114 177 HA GLU 27 HA GLU 27 2.446 -17.586 -7.401 178 1HB GLU 27 2HB GLU 27 0.655 -19.900 -6.791 179 2HB GLU 27 3HB GLU 27 1.206 -19.078 -5.326 180 1HG GLU 27 2HG GLU 27 0.580 -16.975 -6.882 181 2HG GLU 27 3HG GLU 27 -0.476 -18.095 -7.616 182 H MET 28 H MET 28 2.975 -20.545 -5.411 183 HA MET 28 HA MET 28 4.386 -19.341 -3.322 184 1HB MET 28 2HB MET 28 4.235 -22.075 -4.552 185 2HB MET 28 3HB MET 28 5.767 -21.749 -3.777 186 1HG MET 28 2HG MET 28 3.912 -20.780 -1.928 187 2HG MET 28 3HG MET 28 3.170 -22.249 -2.554 188 1HE MET 28 1HE MET 28 3.887 -21.407 0.138 189 2HE MET 28 2HE MET 28 4.415 -22.951 0.841 190 3HE MET 28 3HE MET 28 5.557 -21.587 0.703 191 H LYS 29 H LYS 29 5.525 -19.878 -6.544 192 HA LYS 29 HA LYS 29 8.313 -19.262 -5.874 193 1HB LYS 29 2HB LYS 29 7.448 -20.900 -7.779 194 2HB LYS 29 3HB LYS 29 7.239 -19.411 -8.699 195 1HG LYS 29 2HG LYS 29 9.469 -19.819 -9.198 196 2HG LYS 29 3HG LYS 29 9.757 -19.038 -7.629 197 1HD LYS 29 2HD LYS 29 9.218 -21.644 -6.835 198 2HD LYS 29 3HD LYS 29 9.957 -21.923 -8.421 199 1HE LYS 29 2HE LYS 29 11.991 -20.831 -7.745 200 2HE LYS 29 3HE LYS 29 11.185 -20.047 -6.376 201 1HZ LYS 29 1HZ LYS 29 10.777 -22.472 -5.626 202 2HZ LYS 29 2HZ LYS 29 12.066 -22.838 -6.587 203 3HZ LYS 29 3HZ LYS 29 12.227 -21.779 -5.326 204 H CYS 30 H CYS 30 5.879 -17.773 -8.099 205 HA CYS 30 HA CYS 30 7.141 -15.345 -8.541 206 1HB CYS 30 2HB CYS 30 4.233 -16.141 -8.216 207 2HB CYS 30 3HB CYS 30 4.678 -14.483 -8.578 208 H ASP 31 H ASP 31 5.541 -16.484 -5.631 209 HA ASP 31 HA ASP 31 5.242 -14.059 -4.225 210 1HB ASP 31 2HB ASP 31 4.495 -16.650 -3.690 211 2HB ASP 31 3HB ASP 31 5.977 -16.676 -2.810 212 H THR 32 H THR 32 7.732 -16.547 -3.936 213 HA THR 32 HA THR 32 9.498 -14.807 -2.424 214 HB THR 32 HB THR 32 9.621 -17.619 -3.411 215 HG1 THR 32 1HG THR 32 9.539 -17.906 -1.317 216 1HG2 THR 32 1HG2 THR 32 12.036 -15.962 -2.678 217 2HG2 THR 32 2HG2 THR 32 11.963 -17.622 -2.172 218 3HG2 THR 32 3HG2 THR 32 11.873 -17.228 -3.922 219 H ASP 33 H ASP 33 8.974 -15.406 -5.795 220 HA ASP 33 HA ASP 33 11.467 -14.799 -6.968 221 1HB ASP 33 2HB ASP 33 9.554 -15.687 -8.289 222 2HB ASP 33 3HB ASP 33 8.666 -14.202 -7.910 223 H CYS 34 H CYS 34 8.662 -12.611 -6.840 224 HA CYS 34 HA CYS 34 10.520 -10.299 -6.803 225 1HB CYS 34 2HB CYS 34 8.234 -10.648 -8.191 226 2HB CYS 34 3HB CYS 34 7.523 -9.973 -6.724 227 H SER 35 H SER 35 10.811 -11.781 -4.581 228 HA SER 35 HA SER 35 9.103 -10.936 -2.356 229 1HB SER 35 2HB SER 35 10.390 -13.049 -2.303 230 2HB SER 35 3HB SER 35 11.911 -12.135 -2.247 231 HG SER 35 HG SER 35 11.576 -12.192 -0.200 232 H VAL 36 H VAL 36 9.278 -8.659 -3.037 233 HA VAL 36 HA VAL 36 11.648 -7.208 -2.504 234 HB VAL 36 HB VAL 36 8.983 -5.862 -2.652 235 1HG1 VAL 36 1HG1 VAL 36 11.842 -5.151 -3.082 236 2HG1 VAL 36 2HG1 VAL 36 10.804 -4.600 -4.380 237 3HG1 VAL 36 3HG1 VAL 36 10.435 -4.116 -2.731 238 1HG2 VAL 36 1HG2 VAL 36 10.267 -7.407 -4.908 239 2HG2 VAL 36 2HG2 VAL 36 8.560 -7.249 -4.416 240 3HG2 VAL 36 3HG2 VAL 36 9.321 -5.947 -5.270 241 H LYS 37 H LYS 37 10.951 -5.073 -1.080 242 HA LYS 37 HA LYS 37 9.598 -5.710 1.411 243 1HB LYS 37 2HB LYS 37 11.643 -5.522 2.857 244 2HB LYS 37 3HB LYS 37 11.503 -7.027 1.953 245 1HG LYS 37 2HG LYS 37 13.188 -6.500 0.400 246 2HG LYS 37 3HG LYS 37 13.210 -4.801 0.760 247 1HD LYS 37 2HD LYS 37 14.656 -4.951 2.410 248 2HD LYS 37 3HD LYS 37 13.742 -6.245 3.202 249 1HE LYS 37 2HE LYS 37 14.719 -7.623 1.071 250 2HE LYS 37 3HE LYS 37 16.015 -6.425 1.244 251 1HZ LYS 37 1HZ LYS 37 16.543 -7.263 3.323 252 2HZ LYS 37 2HZ LYS 37 15.013 -7.794 3.631 253 3HZ LYS 37 3HZ LYS 37 15.979 -8.662 2.633 254 H ASP 38 H ASP 38 8.495 -3.831 1.319 255 HA ASP 38 HA ASP 38 9.972 -1.394 1.985 256 1HB ASP 38 2HB ASP 38 9.856 -1.759 -0.682 257 2HB ASP 38 3HB ASP 38 8.189 -1.236 -0.453 258 H VAL 39 H VAL 39 8.764 -0.534 3.528 259 HA VAL 39 HA VAL 39 5.793 -0.684 3.278 260 HB VAL 39 HB VAL 39 6.944 -2.338 4.931 261 1HG1 VAL 39 1HG1 VAL 39 6.784 -0.288 7.080 262 2HG1 VAL 39 2HG1 VAL 39 7.919 -1.652 6.893 263 3HG1 VAL 39 3HG1 VAL 39 8.163 -0.134 6.030 264 1HG2 VAL 39 1HG2 VAL 39 4.790 -0.953 6.442 265 2HG2 VAL 39 2HG2 VAL 39 4.408 -1.268 4.765 266 3HG2 VAL 39 3HG2 VAL 39 4.895 -2.611 5.798 267 H LYS 40 H LYS 40 7.248 1.370 2.320 268 HA LYS 40 HA LYS 40 7.965 3.466 4.016 269 1HB LYS 40 2HB LYS 40 6.550 3.602 1.321 270 2HB LYS 40 3HB LYS 40 7.335 4.985 2.097 271 1HG LYS 40 2HG LYS 40 9.037 2.496 1.762 272 2HG LYS 40 3HG LYS 40 8.559 3.383 0.307 273 1HD LYS 40 2HD LYS 40 10.645 4.217 0.957 274 2HD LYS 40 3HD LYS 40 9.446 5.473 1.353 275 1HE LYS 40 2HE LYS 40 9.453 4.807 3.704 276 2HE LYS 40 3HE LYS 40 10.499 3.416 3.347 277 1HZ LYS 40 1HZ LYS 40 11.293 5.988 4.002 278 2HZ LYS 40 2HZ LYS 40 12.266 4.745 3.480 279 3HZ LYS 40 3HZ LYS 40 11.638 5.818 2.404 280 H GLU 41 H GLU 41 7.020 4.802 5.361 281 HA GLU 41 HA GLU 41 4.279 4.245 6.078 282 1HB GLU 41 2HB GLU 41 6.559 5.411 7.335 283 2HB GLU 41 3HB GLU 41 5.401 6.737 7.218 284 1HG GLU 41 2HG GLU 41 4.398 4.026 8.148 285 2HG GLU 41 3HG GLU 41 5.391 4.974 9.243 286 H LYS 42 H LYS 42 2.586 5.058 5.204 287 HA LYS 42 HA LYS 42 2.732 7.167 3.188 288 1HB LYS 42 2HB LYS 42 0.799 5.071 3.973 289 2HB LYS 42 3HB LYS 42 -0.025 6.596 3.872 290 1HG LYS 42 2HG LYS 42 1.303 6.893 1.602 291 2HG LYS 42 3HG LYS 42 1.453 5.135 1.698 292 1HD LYS 42 2HD LYS 42 -0.778 4.801 1.274 293 2HD LYS 42 3HD LYS 42 -1.318 6.183 2.224 294 1HE LYS 42 2HE LYS 42 0.138 6.586 -0.394 295 2HE LYS 42 3HE LYS 42 -1.618 6.306 -0.346 296 1HZ LYS 42 1HZ LYS 42 -0.500 8.746 -0.075 297 2HZ LYS 42 2HZ LYS 42 -1.976 8.354 0.548 298 3HZ LYS 42 3HZ LYS 42 -0.642 8.323 1.497 299 H LEU 43 H LEU 43 3.796 8.465 5.053 300 HA LEU 43 HA LEU 43 2.113 10.685 5.544 301 1HB LEU 43 2HB LEU 43 1.188 9.793 7.458 302 2HB LEU 43 3HB LEU 43 2.427 8.573 7.620 303 HG LEU 43 HG LEU 43 4.007 10.368 8.525 304 1HD1 LEU 43 1HD1 LEU 43 1.452 11.879 9.164 305 2HD1 LEU 43 2HD1 LEU 43 3.149 12.440 9.181 306 3HD1 LEU 43 3HD1 LEU 43 2.271 12.222 7.658 307 1HD2 LEU 43 1HD2 LEU 43 2.905 8.637 9.850 308 2HD2 LEU 43 2HD2 LEU 43 3.222 10.124 10.728 309 3HD2 LEU 43 3HD2 LEU 43 1.554 9.729 10.171 310 H GLU 44 H GLU 44 3.309 12.415 5.929 311 HA GLU 44 HA GLU 44 5.913 12.492 6.981 312 1HB GLU 44 2HB GLU 44 6.223 11.372 4.498 313 2HB GLU 44 3HB GLU 44 6.077 13.001 3.969 314 1HG GLU 44 2HG GLU 44 8.372 12.695 4.327 315 2HG GLU 44 3HG GLU 44 7.883 13.542 5.804 316 H ASN 45 H ASN 45 4.191 14.033 7.867 317 HA ASN 45 HA ASN 45 4.941 16.680 7.240 318 1HB ASN 45 2HB ASN 45 2.947 15.721 5.370 319 2HB ASN 45 3HB ASN 45 2.078 16.721 6.508 320 1HD2 ASN 45 1HD2 ASN 45 2.641 18.910 6.734 321 2HD2 ASN 45 2HD2 ASN 45 3.618 19.672 5.429 322 H TYR 46 H TYR 46 4.250 18.049 8.841 323 HA TYR 46 HA TYR 46 1.865 17.573 10.426 324 1HB TYR 46 2HB TYR 46 3.238 15.698 11.300 325 2HB TYR 46 3HB TYR 46 4.591 16.797 11.531 326 HD1 TYR 46 HD1 TYR 46 0.970 17.476 12.380 327 HD2 TYR 46 HD2 TYR 46 4.925 16.471 13.840 328 HE1 TYR 46 HE1 TYR 46 0.214 17.860 14.705 329 HE2 TYR 46 HE2 TYR 46 4.142 16.844 16.169 330 HH TYR 46 HH TYR 46 2.355 17.290 17.472 331 H LYS 47 H LYS 47 1.349 19.690 10.634 332 HA LYS 47 HA LYS 47 2.954 21.405 12.275 333 1HB LYS 47 2HB LYS 47 3.521 21.526 9.416 334 2HB LYS 47 3HB LYS 47 2.818 23.049 9.965 335 1HG LYS 47 2HG LYS 47 4.512 22.807 11.998 336 2HG LYS 47 3HG LYS 47 5.349 21.664 10.951 337 1HD LYS 47 2HD LYS 47 4.580 24.197 9.611 338 2HD LYS 47 3HD LYS 47 5.664 24.417 10.984 339 1HE LYS 47 2HE LYS 47 7.393 23.199 10.027 340 2HE LYS 47 3HE LYS 47 6.305 22.208 9.042 341 1HZ LYS 47 1HZ LYS 47 6.648 23.619 7.363 342 2HZ LYS 47 2HZ LYS 47 5.976 24.842 8.226 343 3HZ LYS 47 3HZ LYS 47 7.597 24.601 8.291 344 HA PRO 48 HA PRO 48 -1.547 22.204 12.182 345 1HB PRO 48 2HB PRO 48 -1.781 22.367 14.995 346 2HB PRO 48 3HB PRO 48 -1.998 20.892 13.991 347 1HG PRO 48 2HG PRO 48 0.263 21.620 15.790 348 2HG PRO 48 3HG PRO 48 -0.248 20.014 15.174 349 1HD PRO 48 2HD PRO 48 1.892 21.680 14.237 350 2HD PRO 48 3HD PRO 48 1.341 20.128 13.544 351 H LYS 49 H LYS 49 -2.716 24.089 12.963 352 HA LYS 49 HA LYS 49 -1.415 26.489 12.459 353 1HB LYS 49 2HB LYS 49 -4.020 25.837 12.810 354 2HB LYS 49 3HB LYS 49 -3.749 26.484 14.432 355 1HG LYS 49 2HG LYS 49 -2.839 28.042 11.982 356 2HG LYS 49 3HG LYS 49 -4.544 28.050 12.417 357 1HD LYS 49 2HD LYS 49 -4.215 29.150 14.439 358 2HD LYS 49 3HD LYS 49 -2.550 28.687 14.607 359 1HE LYS 49 2HE LYS 49 -1.786 30.531 13.668 360 2HE LYS 49 3HE LYS 49 -2.641 30.134 12.171 361 1HZ LYS 49 1HZ LYS 49 -4.598 31.038 13.828 362 2HZ LYS 49 2HZ LYS 49 -3.334 32.028 14.186 363 3HZ LYS 49 3HZ LYS 49 -3.889 31.924 12.632 364 H ASN 50 H ASN 50 -0.199 27.910 13.541 365 HA ASN 50 HA ASN 50 0.012 28.229 16.381 366 1HB ASN 50 2HB ASN 50 2.288 27.333 16.536 367 2HB ASN 50 3HB ASN 50 1.175 26.023 16.200 368 1HD2 ASN 50 1HD2 ASN 50 4.077 26.397 15.749 369 2HD2 ASN 50 2HD2 ASN 50 4.262 26.071 13.996 Start of MODEL 15 1 1H ASP 1 H1 ASP 1 1.785 -0.476 0.687 2 2H ASP 1 H2 ASP 1 0.378 -0.361 -0.170 3 3H ASP 1 H3 ASP 1 1.197 1.008 0.308 4 HA ASP 1 HA ASP 1 1.474 -0.410 -2.069 5 1HB ASP 1 2HB ASP 1 1.922 2.156 -1.017 6 2HB ASP 1 3HB ASP 1 3.525 1.618 -1.482 7 H GLU 2 H GLU 2 2.602 -1.847 0.555 8 HA GLU 2 HA GLU 2 4.279 -3.161 1.072 9 1HB GLU 2 2HB GLU 2 4.221 -3.177 -1.830 10 2HB GLU 2 3HB GLU 2 5.889 -3.228 -1.323 11 1HG GLU 2 2HG GLU 2 3.756 -5.009 -0.147 12 2HG GLU 2 3HG GLU 2 4.676 -5.425 -1.604 13 H ALA 3 H ALA 3 6.090 -1.155 -1.238 14 HA ALA 3 HA ALA 3 8.404 -0.789 0.284 15 1HB ALA 3 1HB ALA 3 8.605 -0.020 -1.885 16 2HB ALA 3 2HB ALA 3 7.015 0.807 -1.860 17 3HB ALA 3 3HB ALA 3 8.405 1.518 -1.012 18 H GLN 4 H GLN 4 5.563 1.406 0.199 19 HA GLN 4 HA GLN 4 6.305 3.286 2.064 20 1HB GLN 4 2HB GLN 4 3.604 1.904 1.713 21 2HB GLN 4 3HB GLN 4 3.850 3.299 2.771 22 1HG GLN 4 2HG GLN 4 4.864 4.500 0.741 23 2HG GLN 4 3HG GLN 4 4.204 3.208 -0.247 24 1HE2 GLN 4 1HE2 GLN 4 3.624 6.236 0.586 25 2HE2 GLN 4 2HE2 GLN 4 1.856 6.232 0.630 26 H PHE 5 H PHE 5 5.578 -0.041 2.789 27 HA PHE 5 HA PHE 5 5.634 0.293 5.739 28 1HB PHE 5 2HB PHE 5 4.008 -1.258 4.351 29 2HB PHE 5 3HB PHE 5 5.429 -2.239 4.014 30 HD1 PHE 5 HD1 PHE 5 3.079 -1.223 6.556 31 HD2 PHE 5 HD2 PHE 5 6.686 -3.462 5.739 32 HE1 PHE 5 HE1 PHE 5 2.821 -2.452 8.663 33 HE2 PHE 5 HE2 PHE 5 6.393 -4.689 7.886 34 HZ PHE 5 HZ PHE 5 4.516 -4.142 9.379 35 H LYS 6 H LYS 6 7.440 -1.244 2.973 36 HA LYS 6 HA LYS 6 9.486 -2.469 4.574 37 1HB LYS 6 2HB LYS 6 8.924 -2.177 1.782 38 2HB LYS 6 3HB LYS 6 10.545 -1.508 2.029 39 1HG LYS 6 2HG LYS 6 11.072 -3.669 3.327 40 2HG LYS 6 3HG LYS 6 9.493 -4.262 2.783 41 1HD LYS 6 2HD LYS 6 10.730 -5.094 1.046 42 2HD LYS 6 3HD LYS 6 10.460 -3.476 0.385 43 1HE LYS 6 2HE LYS 6 12.670 -2.830 1.663 44 2HE LYS 6 3HE LYS 6 12.907 -4.570 1.837 45 1HZ LYS 6 1HZ LYS 6 12.376 -4.403 -0.756 46 2HZ LYS 6 2HZ LYS 6 13.071 -2.926 -0.544 47 3HZ LYS 6 3HZ LYS 6 13.911 -4.287 -0.153 48 H GLU 7 H GLU 7 8.981 0.838 3.625 49 HA GLU 7 HA GLU 7 11.626 1.641 4.489 50 1HB GLU 7 2HB GLU 7 9.490 2.870 2.972 51 2HB GLU 7 3HB GLU 7 9.732 3.843 4.411 52 1HG GLU 7 2HG GLU 7 12.363 3.394 3.629 53 2HG GLU 7 3HG GLU 7 11.527 3.380 2.078 54 H CYS 8 H CYS 8 8.407 1.340 5.909 55 HA CYS 8 HA CYS 8 9.126 2.913 8.281 56 1HB CYS 8 2HB CYS 8 6.733 2.140 7.175 57 2HB CYS 8 3HB CYS 8 6.974 0.849 8.339 58 H TYR 9 H TYR 9 8.910 -0.549 7.374 59 HA TYR 9 HA TYR 9 9.675 -1.597 9.896 60 1HB TYR 9 2HB TYR 9 8.733 -2.708 7.715 61 2HB TYR 9 3HB TYR 9 10.383 -2.724 7.139 62 HD1 TYR 9 HD1 TYR 9 12.164 -4.019 8.473 63 HD2 TYR 9 HD2 TYR 9 7.925 -4.340 9.241 64 HE1 TYR 9 HE1 TYR 9 12.514 -6.177 9.560 65 HE2 TYR 9 HE2 TYR 9 8.327 -6.539 10.307 66 HH TYR 9 HH TYR 9 10.881 -8.362 10.032 67 H ASP 10 H ASP 10 11.674 -0.896 6.997 68 HA ASP 10 HA ASP 10 14.158 -1.654 8.159 69 1HB ASP 10 2HB ASP 10 13.468 -1.030 5.663 70 2HB ASP 10 3HB ASP 10 13.942 0.598 6.120 71 H THR 11 H THR 11 12.670 1.567 7.716 72 HA THR 11 HA THR 11 14.641 3.040 9.094 73 HB THR 11 HB THR 11 11.719 3.720 8.660 74 HG1 THR 11 1HG THR 11 12.442 3.805 6.695 75 1HG2 THR 11 1HG2 THR 11 12.236 5.957 8.915 76 2HG2 THR 11 2HG2 THR 11 13.123 5.218 10.270 77 3HG2 THR 11 3HG2 THR 11 13.990 5.680 8.779 78 H CYS 12 H CYS 12 11.505 1.680 10.232 79 HA CYS 12 HA CYS 12 11.615 2.640 12.884 80 1HB CYS 12 2HB CYS 12 9.640 1.648 11.795 81 2HB CYS 12 3HB CYS 12 10.341 0.028 11.950 82 H HIS 13 H HIS 13 12.939 -0.353 11.354 83 HA HIS 13 HA HIS 13 14.104 -1.512 13.636 84 1HB HIS 13 2HB HIS 13 14.015 -2.287 11.081 85 2HB HIS 13 3HB HIS 13 15.609 -1.564 11.083 86 HD1 HIS 13 HD1 HIS 13 17.470 -3.033 12.030 87 HD2 HIS 13 HD2 HIS 13 13.543 -4.335 12.936 88 HE1 HIS 13 HE1 HIS 13 17.693 -5.348 13.088 89 HE2 HIS 13 HE2 HIS 13 15.282 -6.152 13.587 90 H LYS 14 H LYS 14 15.354 1.068 11.556 91 HA LYS 14 HA LYS 14 17.896 1.267 12.756 92 1HB LYS 14 2HB LYS 14 16.588 2.614 10.767 93 2HB LYS 14 3HB LYS 14 16.435 3.814 12.022 94 1HG LYS 14 2HG LYS 14 19.168 2.662 11.912 95 2HG LYS 14 3HG LYS 14 18.663 3.295 10.363 96 1HD LYS 14 2HD LYS 14 18.891 5.428 11.034 97 2HD LYS 14 3HD LYS 14 17.970 5.203 12.515 98 1HE LYS 14 2HE LYS 14 20.808 4.174 12.278 99 2HE LYS 14 3HE LYS 14 20.451 5.847 12.735 100 1HZ LYS 14 1HZ LYS 14 20.102 5.099 14.818 101 2HZ LYS 14 2HZ LYS 14 18.810 4.244 14.310 102 3HZ LYS 14 3HZ LYS 14 20.263 3.524 14.372 103 H GLU 15 H GLU 15 15.070 3.322 13.662 104 HA GLU 15 HA GLU 15 16.277 4.206 16.146 105 1HB GLU 15 2HB GLU 15 14.357 5.287 14.769 106 2HB GLU 15 3HB GLU 15 13.324 4.066 15.534 107 1HG GLU 15 2HG GLU 15 14.168 4.940 17.799 108 2HG GLU 15 3HG GLU 15 15.063 6.171 16.915 109 H CYS 16 H CYS 16 14.837 1.226 15.209 110 HA CYS 16 HA CYS 16 13.945 0.482 17.820 111 1HB CYS 16 2HB CYS 16 13.088 -0.449 15.637 112 2HB CYS 16 3HB CYS 16 14.560 -1.434 15.574 113 H SER 17 H SER 17 16.565 -0.851 15.736 114 HA SER 17 HA SER 17 17.968 -2.323 17.653 115 1HB SER 17 2HB SER 17 18.380 -1.530 14.952 116 2HB SER 17 3HB SER 17 19.760 -0.880 15.830 117 HG SER 17 HG SER 17 18.896 -3.585 15.929 118 H ASP 18 H ASP 18 17.793 1.186 17.235 119 HA ASP 18 HA ASP 18 20.072 2.070 18.666 120 1HB ASP 18 2HB ASP 18 18.742 3.744 17.636 121 2HB ASP 18 3HB ASP 18 17.273 3.067 18.307 122 H LYS 19 H LYS 19 16.990 0.650 19.844 123 HA LYS 19 HA LYS 19 17.437 1.243 22.550 124 1HB LYS 19 2HB LYS 19 15.525 -0.359 20.936 125 2HB LYS 19 3HB LYS 19 15.970 -1.210 22.330 126 1HG LYS 19 2HG LYS 19 15.448 1.669 22.869 127 2HG LYS 19 3HG LYS 19 14.123 0.949 21.994 128 1HD LYS 19 2HD LYS 19 13.432 -0.284 23.769 129 2HD LYS 19 3HD LYS 19 15.061 -0.797 24.206 130 1HE LYS 19 2HE LYS 19 14.697 2.068 24.698 131 2HE LYS 19 3HE LYS 19 13.480 1.107 25.547 132 1HZ LYS 19 1HZ LYS 19 16.415 0.645 25.655 133 2HZ LYS 19 2HZ LYS 19 15.538 1.364 26.850 134 3HZ LYS 19 3HZ LYS 19 15.303 -0.227 26.485 135 H GLY 20 H GLY 20 19.194 -0.697 20.560 136 1HA GLY 20 2HA GLY 20 21.102 -1.904 20.952 137 2HA GLY 20 3HA GLY 20 20.816 -1.769 22.703 138 H ASN 21 H ASN 21 18.167 -2.851 20.766 139 HA ASN 21 HA ASN 21 18.241 -5.478 22.047 140 1HB ASN 21 2HB ASN 21 16.225 -3.781 20.755 141 2HB ASN 21 3HB ASN 21 16.072 -5.462 20.311 142 1HD2 ASN 21 1HD2 ASN 21 14.561 -3.589 22.126 143 2HD2 ASN 21 2HD2 ASN 21 14.353 -4.601 23.580 144 H GLY 22 H GLY 22 17.335 -7.235 20.442 145 1HA GLY 22 2HA GLY 22 19.475 -7.630 18.431 146 2HA GLY 22 3HA GLY 22 18.247 -8.832 18.919 147 H PHE 23 H PHE 23 19.180 -7.828 16.250 148 HA PHE 23 HA PHE 23 17.324 -6.296 14.943 149 1HB PHE 23 2HB PHE 23 18.158 -7.335 12.934 150 2HB PHE 23 3HB PHE 23 19.506 -7.354 14.063 151 HD1 PHE 23 HD1 PHE 23 19.842 -9.592 15.411 152 HD2 PHE 23 HD2 PHE 23 17.295 -9.318 11.933 153 HE1 PHE 23 HE1 PHE 23 19.896 -12.059 15.145 154 HE2 PHE 23 HE2 PHE 23 17.332 -11.730 11.684 155 HZ PHE 23 HZ PHE 23 18.671 -13.137 13.256 156 H THR 24 H THR 24 17.161 -9.802 15.465 157 HA THR 24 HA THR 24 14.778 -10.312 14.144 158 HB THR 24 HB THR 24 16.377 -11.606 16.285 159 HG1 THR 24 1HG THR 24 16.530 -12.971 14.673 160 1HG2 THR 24 1HG2 THR 24 14.353 -12.060 17.460 161 2HG2 THR 24 2HG2 THR 24 13.428 -12.218 15.940 162 3HG2 THR 24 3HG2 THR 24 14.581 -13.471 16.428 163 H PHE 25 H PHE 25 14.981 -9.906 17.703 164 HA PHE 25 HA PHE 25 12.263 -9.676 18.214 165 1HB PHE 25 2HB PHE 25 13.895 -9.824 20.000 166 2HB PHE 25 3HB PHE 25 14.726 -8.371 19.433 167 HD1 PHE 25 HD1 PHE 25 14.090 -6.195 20.133 168 HD2 PHE 25 HD2 PHE 25 11.528 -9.546 20.969 169 HE1 PHE 25 HE1 PHE 25 12.698 -4.767 21.637 170 HE2 PHE 25 HE2 PHE 25 10.180 -8.129 22.511 171 HZ PHE 25 HZ PHE 25 10.804 -5.745 22.871 172 H CYS 26 H CYS 26 14.561 -7.031 17.332 173 HA CYS 26 HA CYS 26 12.620 -4.991 17.453 174 1HB CYS 26 2HB CYS 26 15.414 -5.306 16.557 175 2HB CYS 26 3HB CYS 26 14.504 -4.229 15.547 176 H GLU 27 H GLU 27 13.456 -7.375 14.962 177 HA GLU 27 HA GLU 27 12.107 -6.123 12.773 178 1HB GLU 27 2HB GLU 27 13.610 -8.609 13.291 179 2HB GLU 27 3HB GLU 27 12.141 -8.985 12.455 180 1HG GLU 27 2HG GLU 27 12.895 -8.057 10.537 181 2HG GLU 27 3HG GLU 27 13.547 -6.616 11.374 182 H MET 28 H MET 28 11.194 -8.995 14.710 183 HA MET 28 HA MET 28 8.511 -9.109 13.788 184 1HB MET 28 2HB MET 28 9.960 -9.969 16.305 185 2HB MET 28 3HB MET 28 8.202 -10.102 16.269 186 1HG MET 28 2HG MET 28 8.195 -11.790 14.745 187 2HG MET 28 3HG MET 28 9.576 -11.165 13.853 188 1HE MET 28 1HE MET 28 9.373 -13.379 17.714 189 2HE MET 28 2HE MET 28 8.094 -13.024 16.530 190 3HE MET 28 3HE MET 28 9.072 -14.496 16.357 191 H LYS 29 H LYS 29 9.995 -7.007 16.182 192 HA LYS 29 HA LYS 29 7.439 -6.075 17.218 193 1HB LYS 29 2HB LYS 29 9.753 -6.108 18.433 194 2HB LYS 29 3HB LYS 29 10.078 -4.612 17.560 195 1HG LYS 29 2HG LYS 29 7.609 -5.180 19.282 196 2HG LYS 29 3HG LYS 29 9.093 -4.449 19.896 197 1HD LYS 29 2HD LYS 29 8.569 -2.827 17.695 198 2HD LYS 29 3HD LYS 29 6.934 -3.269 18.184 199 1HE LYS 29 2HE LYS 29 8.741 -2.543 20.424 200 2HE LYS 29 3HE LYS 29 8.588 -1.253 19.220 201 1HZ LYS 29 1HZ LYS 29 6.266 -1.257 19.464 202 2HZ LYS 29 2HZ LYS 29 6.247 -2.619 20.381 203 3HZ LYS 29 3HZ LYS 29 6.872 -1.201 20.996 204 H CYS 30 H CYS 30 10.005 -4.426 15.340 205 HA CYS 30 HA CYS 30 8.700 -2.109 14.602 206 1HB CYS 30 2HB CYS 30 10.630 -3.938 13.166 207 2HB CYS 30 3HB CYS 30 10.118 -2.443 12.424 208 H ASP 31 H ASP 31 8.241 -5.446 13.432 209 HA ASP 31 HA ASP 31 6.737 -4.962 11.131 210 1HB ASP 31 2HB ASP 31 7.662 -7.217 12.357 211 2HB ASP 31 3HB ASP 31 6.063 -7.257 13.014 212 H THR 32 H THR 32 5.591 -5.763 14.407 213 HA THR 32 HA THR 32 2.845 -4.993 13.796 214 HB THR 32 HB THR 32 4.350 -6.026 16.199 215 HG1 THR 32 1HG THR 32 1.941 -6.583 14.849 216 1HG2 THR 32 1HG2 THR 32 1.537 -4.876 16.339 217 2HG2 THR 32 2HG2 THR 32 2.327 -5.864 17.599 218 3HG2 THR 32 3HG2 THR 32 2.949 -4.249 17.223 219 H ASP 33 H ASP 33 5.660 -3.289 14.875 220 HA ASP 33 HA ASP 33 4.546 -1.150 16.312 221 1HB ASP 33 2HB ASP 33 6.972 -1.483 16.138 222 2HB ASP 33 3HB ASP 33 6.893 -1.193 14.407 223 H CYS 34 H CYS 34 5.656 -0.938 12.931 224 HA CYS 34 HA CYS 34 3.801 1.234 12.430 225 1HB CYS 34 2HB CYS 34 6.223 0.950 11.517 226 2HB CYS 34 3HB CYS 34 5.493 -0.131 10.320 227 H SER 35 H SER 35 2.312 -0.673 13.084 228 HA SER 35 HA SER 35 0.501 -1.159 10.993 229 1HB SER 35 2HB SER 35 2.569 -2.964 10.822 230 2HB SER 35 3HB SER 35 1.406 -3.924 11.673 231 HG SER 35 HG SER 35 1.353 -3.730 9.288 232 H VAL 36 H VAL 36 0.102 -0.180 13.548 233 HA VAL 36 HA VAL 36 -0.527 -1.990 15.592 234 HB VAL 36 HB VAL 36 -0.372 0.620 15.575 235 1HG1 VAL 36 1HG1 VAL 36 -3.348 0.754 15.694 236 2HG1 VAL 36 2HG1 VAL 36 -2.170 1.895 15.017 237 3HG1 VAL 36 3HG1 VAL 36 -2.689 0.503 14.081 238 1HG2 VAL 36 1HG2 VAL 36 -1.266 -1.244 17.474 239 2HG2 VAL 36 2HG2 VAL 36 -0.773 0.422 17.751 240 3HG2 VAL 36 3HG2 VAL 36 -2.482 0.034 17.532 241 H LYS 37 H LYS 37 -3.123 -1.442 16.251 242 HA LYS 37 HA LYS 37 -5.081 -1.914 14.332 243 1HB LYS 37 2HB LYS 37 -3.502 -4.304 14.623 244 2HB LYS 37 3HB LYS 37 -4.949 -4.611 15.542 245 1HG LYS 37 2HG LYS 37 -6.244 -3.743 13.462 246 2HG LYS 37 3HG LYS 37 -4.700 -3.779 12.592 247 1HD LYS 37 2HD LYS 37 -4.520 -6.100 12.680 248 2HD LYS 37 3HD LYS 37 -5.515 -6.235 14.132 249 1HE LYS 37 2HE LYS 37 -7.051 -5.039 11.943 250 2HE LYS 37 3HE LYS 37 -6.340 -6.576 11.438 251 1HZ LYS 37 1HZ LYS 37 -8.051 -7.496 12.553 252 2HZ LYS 37 2HZ LYS 37 -7.287 -7.076 13.944 253 3HZ LYS 37 3HZ LYS 37 -8.444 -6.095 13.336 254 H ASP 38 H ASP 38 -4.029 -2.724 17.611 255 HA ASP 38 HA ASP 38 -6.390 -1.473 18.708 256 1HB ASP 38 2HB ASP 38 -6.845 -4.074 18.129 257 2HB ASP 38 3HB ASP 38 -5.849 -4.335 19.565 258 H VAL 39 H VAL 39 -6.150 -1.174 21.000 259 HA VAL 39 HA VAL 39 -3.599 -1.974 22.261 260 HB VAL 39 HB VAL 39 -4.356 0.955 21.858 261 1HG1 VAL 39 1HG1 VAL 39 -2.029 -0.383 23.333 262 2HG1 VAL 39 2HG1 VAL 39 -2.136 1.364 22.971 263 3HG1 VAL 39 3HG1 VAL 39 -3.303 0.619 24.051 264 1HG2 VAL 39 1HG2 VAL 39 -2.221 1.113 20.584 265 2HG2 VAL 39 2HG2 VAL 39 -2.035 -0.659 20.723 266 3HG2 VAL 39 3HG2 VAL 39 -3.377 0.059 19.810 267 H LYS 40 H LYS 40 -5.291 -3.213 23.309 268 HA LYS 40 HA LYS 40 -7.423 -2.240 24.711 269 1HB LYS 40 2HB LYS 40 -6.316 -4.678 24.537 270 2HB LYS 40 3HB LYS 40 -5.654 -4.260 26.114 271 1HG LYS 40 2HG LYS 40 -8.622 -3.869 25.508 272 2HG LYS 40 3HG LYS 40 -8.022 -5.478 25.875 273 1HD LYS 40 2HD LYS 40 -7.535 -3.111 27.710 274 2HD LYS 40 3HD LYS 40 -8.945 -4.100 27.867 275 1HE LYS 40 2HE LYS 40 -6.111 -5.236 27.835 276 2HE LYS 40 3HE LYS 40 -6.842 -4.622 29.319 277 1HZ LYS 40 1HZ LYS 40 -8.108 -6.460 29.462 278 2HZ LYS 40 2HZ LYS 40 -8.606 -6.338 27.903 279 3HZ LYS 40 3HZ LYS 40 -7.209 -7.132 28.242 280 H GLU 41 H GLU 41 -7.846 -1.100 26.537 281 HA GLU 41 HA GLU 41 -5.886 0.689 27.438 282 1HB GLU 41 2HB GLU 41 -8.535 0.625 27.596 283 2HB GLU 41 3HB GLU 41 -8.245 -0.034 29.202 284 1HG GLU 41 2HG GLU 41 -7.206 1.899 29.993 285 2HG GLU 41 3HG GLU 41 -6.652 2.411 28.406 286 H LYS 42 H LYS 42 -4.702 0.845 29.328 287 HA LYS 42 HA LYS 42 -3.789 -1.712 30.379 288 1HB LYS 42 2HB LYS 42 -2.449 0.543 29.912 289 2HB LYS 42 3HB LYS 42 -2.944 0.984 31.537 290 1HG LYS 42 2HG LYS 42 -1.745 -1.759 30.998 291 2HG LYS 42 3HG LYS 42 -0.684 -0.360 31.089 292 1HD LYS 42 2HD LYS 42 -1.099 0.023 33.357 293 2HD LYS 42 3HD LYS 42 -2.670 -0.734 33.335 294 1HE LYS 42 2HE LYS 42 -1.701 -2.418 34.358 295 2HE LYS 42 3HE LYS 42 -1.311 -2.934 32.717 296 1HZ LYS 42 1HZ LYS 42 0.550 -2.670 34.547 297 2HZ LYS 42 2HZ LYS 42 0.876 -2.272 32.972 298 3HZ LYS 42 3HZ LYS 42 0.511 -1.100 34.066 299 H LEU 43 H LEU 43 -5.935 -2.298 31.079 300 HA LEU 43 HA LEU 43 -7.451 -1.161 33.053 301 1HB LEU 43 2HB LEU 43 -7.177 -3.768 31.871 302 2HB LEU 43 3HB LEU 43 -7.217 -4.039 33.595 303 HG LEU 43 HG LEU 43 -9.288 -2.201 32.356 304 1HD1 LEU 43 1HD1 LEU 43 -10.723 -4.039 31.795 305 2HD1 LEU 43 2HD1 LEU 43 -9.200 -4.212 30.919 306 3HD1 LEU 43 3HD1 LEU 43 -9.522 -5.228 32.356 307 1HD2 LEU 43 1HD2 LEU 43 -10.300 -4.079 34.322 308 2HD2 LEU 43 2HD2 LEU 43 -8.837 -3.337 34.969 309 3HD2 LEU 43 3HD2 LEU 43 -10.162 -2.315 34.428 310 H GLU 44 H GLU 44 -7.587 -1.347 35.350 311 HA GLU 44 HA GLU 44 -5.048 -2.047 36.709 312 1HB GLU 44 2HB GLU 44 -5.068 0.009 37.938 313 2HB GLU 44 3HB GLU 44 -5.093 0.378 36.220 314 1HG GLU 44 2HG GLU 44 -7.827 0.311 36.790 315 2HG GLU 44 3HG GLU 44 -7.176 0.790 38.351 316 H ASN 45 H ASN 45 -5.310 -2.280 39.009 317 HA ASN 45 HA ASN 45 -8.041 -2.707 39.997 318 1HB ASN 45 2HB ASN 45 -6.006 -4.930 39.528 319 2HB ASN 45 3HB ASN 45 -7.174 -5.029 40.841 320 1HD2 ASN 45 1HD2 ASN 45 -9.030 -6.003 40.420 321 2HD2 ASN 45 2HD2 ASN 45 -9.699 -6.136 38.773 322 H TYR 46 H TYR 46 -8.112 -1.999 42.034 323 HA TYR 46 HA TYR 46 -5.992 -2.509 43.924 324 1HB TYR 46 2HB TYR 46 -5.346 -0.445 42.291 325 2HB TYR 46 3HB TYR 46 -6.451 0.426 43.319 326 HD1 TYR 46 HD1 TYR 46 -3.260 -1.436 43.102 327 HD2 TYR 46 HD2 TYR 46 -5.803 0.971 45.627 328 HE1 TYR 46 HE1 TYR 46 -1.376 -1.121 44.719 329 HE2 TYR 46 HE2 TYR 46 -3.932 1.232 47.256 330 HH TYR 46 HH TYR 46 -1.017 -0.582 47.061 331 H LYS 47 H LYS 47 -6.457 -1.102 45.953 332 HA LYS 47 HA LYS 47 -9.406 -0.783 46.304 333 1HB LYS 47 2HB LYS 47 -7.583 -2.534 47.747 334 2HB LYS 47 3HB LYS 47 -8.266 -1.345 48.850 335 1HG LYS 47 2HG LYS 47 -9.953 -2.907 48.918 336 2HG LYS 47 3HG LYS 47 -10.551 -1.891 47.622 337 1HD LYS 47 2HD LYS 47 -8.900 -3.705 46.244 338 2HD LYS 47 3HD LYS 47 -9.521 -4.683 47.569 339 1HE LYS 47 2HE LYS 47 -11.631 -3.029 46.357 340 2HE LYS 47 3HE LYS 47 -10.799 -3.957 45.112 341 1HZ LYS 47 1HZ LYS 47 -11.562 -5.364 47.557 342 2HZ LYS 47 2HZ LYS 47 -12.773 -4.983 46.511 343 3HZ LYS 47 3HZ LYS 47 -11.515 -5.922 46.015 344 HA PRO 48 HA PRO 48 -7.501 3.249 47.058 345 1HB PRO 48 2HB PRO 48 -9.527 4.714 45.792 346 2HB PRO 48 3HB PRO 48 -8.024 4.124 45.024 347 1HG PRO 48 2HG PRO 48 -10.799 3.109 44.706 348 2HG PRO 48 3HG PRO 48 -9.374 2.895 43.641 349 1HD PRO 48 2HD PRO 48 -10.464 1.020 45.508 350 2HD PRO 48 3HD PRO 48 -8.983 0.878 44.518 351 H LYS 49 H LYS 49 -8.259 4.994 48.369 352 HA LYS 49 HA LYS 49 -9.718 4.170 50.628 353 1HB LYS 49 2HB LYS 49 -8.109 6.220 50.259 354 2HB LYS 49 3HB LYS 49 -9.579 7.096 49.794 355 1HG LYS 49 2HG LYS 49 -10.584 6.687 51.973 356 2HG LYS 49 3HG LYS 49 -9.310 5.529 52.404 357 1HD LYS 49 2HD LYS 49 -7.633 7.386 52.277 358 2HD LYS 49 3HD LYS 49 -8.958 8.519 51.960 359 1HE LYS 49 2HE LYS 49 -9.229 8.756 54.176 360 2HE LYS 49 3HE LYS 49 -9.833 7.099 54.223 361 1HZ LYS 49 1HZ LYS 49 -7.936 7.482 55.740 362 2HZ LYS 49 2HZ LYS 49 -7.591 6.324 54.618 363 3HZ LYS 49 3HZ LYS 49 -6.969 7.836 54.454 364 H ASN 50 H ASN 50 -11.781 4.962 51.448 365 HA ASN 50 HA ASN 50 -13.855 4.956 49.330 366 1HB ASN 50 2HB ASN 50 -14.022 3.128 51.007 367 2HB ASN 50 3HB ASN 50 -14.015 4.334 52.312 368 1HD2 ASN 50 1HD2 ASN 50 -15.709 3.688 49.271 369 2HD2 ASN 50 2HD2 ASN 50 -17.288 4.150 49.912 Start of MODEL 16 1 1H ASP 1 H1 ASP 1 0.692 -0.714 0.032 2 2H ASP 1 H2 ASP 1 0.857 0.918 0.134 3 3H ASP 1 H3 ASP 1 1.994 -0.061 0.828 4 HA ASP 1 HA ASP 1 1.971 0.929 -1.776 5 1HB ASP 1 2HB ASP 1 3.874 -1.244 -0.904 6 2HB ASP 1 3HB ASP 1 4.172 0.191 -1.904 7 H GLU 2 H GLU 2 1.898 -2.450 -0.599 8 HA GLU 2 HA GLU 2 0.766 -3.340 -3.228 9 1HB GLU 2 2HB GLU 2 3.127 -4.163 -1.722 10 2HB GLU 2 3HB GLU 2 2.002 -5.499 -1.822 11 1HG GLU 2 2HG GLU 2 2.458 -3.955 -4.368 12 2HG GLU 2 3HG GLU 2 3.791 -4.931 -3.756 13 H ALA 3 H ALA 3 0.981 -4.360 0.226 14 HA ALA 3 HA ALA 3 -1.220 -6.037 0.205 15 1HB ALA 3 1HB ALA 3 -0.465 -4.126 2.446 16 2HB ALA 3 2HB ALA 3 -1.434 -5.603 2.600 17 3HB ALA 3 3HB ALA 3 0.293 -5.725 2.153 18 H GLN 4 H GLN 4 -1.366 -2.541 0.891 19 HA GLN 4 HA GLN 4 -4.041 -2.111 1.260 20 1HB GLN 4 2HB GLN 4 -3.681 0.118 0.654 21 2HB GLN 4 3HB GLN 4 -2.052 -0.430 1.065 22 1HG GLN 4 2HG GLN 4 -1.759 -0.925 -1.451 23 2HG GLN 4 3HG GLN 4 -3.268 -0.021 -1.709 24 1HE2 GLN 4 1HE2 GLN 4 -0.930 0.702 -2.977 25 2HE2 GLN 4 2HE2 GLN 4 -0.433 2.239 -2.247 26 H PHE 5 H PHE 5 -2.581 -3.029 -1.785 27 HA PHE 5 HA PHE 5 -5.001 -2.685 -3.432 28 1HB PHE 5 2HB PHE 5 -2.540 -2.091 -4.148 29 2HB PHE 5 3HB PHE 5 -2.251 -3.830 -4.134 30 HD1 PHE 5 HD1 PHE 5 -3.620 -1.117 -5.979 31 HD2 PHE 5 HD2 PHE 5 -3.637 -5.430 -5.561 32 HE1 PHE 5 HE1 PHE 5 -4.436 -1.369 -8.277 33 HE2 PHE 5 HE2 PHE 5 -4.521 -5.640 -7.857 34 HZ PHE 5 HZ PHE 5 -4.997 -3.615 -9.191 35 H LYS 6 H LYS 6 -2.716 -5.213 -2.203 36 HA LYS 6 HA LYS 6 -4.086 -7.474 -3.352 37 1HB LYS 6 2HB LYS 6 -1.770 -7.483 -2.246 38 2HB LYS 6 3HB LYS 6 -2.625 -7.413 -0.692 39 1HG LYS 6 2HG LYS 6 -3.893 -9.541 -1.518 40 2HG LYS 6 3HG LYS 6 -2.635 -9.646 -2.756 41 1HD LYS 6 2HD LYS 6 -0.934 -9.933 -1.040 42 2HD LYS 6 3HD LYS 6 -2.060 -9.425 0.232 43 1HE LYS 6 2HE LYS 6 -2.189 -11.673 0.551 44 2HE LYS 6 3HE LYS 6 -3.547 -11.435 -0.546 45 1HZ LYS 6 1HZ LYS 6 -0.993 -11.923 -1.823 46 2HZ LYS 6 2HZ LYS 6 -1.606 -13.207 -0.980 47 3HZ LYS 6 3HZ LYS 6 -2.473 -12.520 -2.199 48 H GLU 7 H GLU 7 -4.818 -5.512 -0.553 49 HA GLU 7 HA GLU 7 -6.871 -7.337 0.370 50 1HB GLU 7 2HB GLU 7 -5.520 -5.544 1.763 51 2HB GLU 7 3HB GLU 7 -6.756 -4.423 1.175 52 1HG GLU 7 2HG GLU 7 -8.436 -5.396 2.446 53 2HG GLU 7 3HG GLU 7 -7.766 -7.018 2.308 54 H CYS 8 H CYS 8 -6.690 -4.550 -1.791 55 HA CYS 8 HA CYS 8 -9.615 -4.213 -1.916 56 1HB CYS 8 2HB CYS 8 -7.469 -2.612 -2.547 57 2HB CYS 8 3HB CYS 8 -7.822 -3.306 -4.114 58 H TYR 9 H TYR 9 -7.033 -5.752 -3.887 59 HA TYR 9 HA TYR 9 -8.743 -6.725 -5.929 60 1HB TYR 9 2HB TYR 9 -6.146 -6.625 -5.707 61 2HB TYR 9 3HB TYR 9 -6.260 -8.111 -4.787 62 HD1 TYR 9 HD1 TYR 9 -7.156 -10.228 -5.914 63 HD2 TYR 9 HD2 TYR 9 -6.410 -6.531 -8.060 64 HE1 TYR 9 HE1 TYR 9 -6.982 -11.480 -8.048 65 HE2 TYR 9 HE2 TYR 9 -6.213 -7.835 -10.132 66 HH TYR 9 HH TYR 9 -5.805 -10.906 -10.616 67 H ASP 10 H ASP 10 -7.550 -8.402 -2.988 68 HA ASP 10 HA ASP 10 -9.003 -10.818 -3.439 69 1HB ASP 10 2HB ASP 10 -7.106 -10.164 -1.687 70 2HB ASP 10 3HB ASP 10 -8.450 -9.767 -0.630 71 H THR 11 H THR 11 -9.736 -8.025 -1.382 72 HA THR 11 HA THR 11 -12.303 -8.916 -0.512 73 HB THR 11 HB THR 11 -11.255 -6.077 -0.670 74 HG1 THR 11 1HG THR 11 -9.971 -6.995 0.651 75 1HG2 THR 11 1HG2 THR 11 -12.897 -6.513 1.623 76 2HG2 THR 11 2HG2 THR 11 -13.105 -5.376 0.281 77 3HG2 THR 11 3HG2 THR 11 -13.825 -7.007 0.191 78 H CYS 12 H CYS 12 -11.349 -6.723 -3.220 79 HA CYS 12 HA CYS 12 -13.977 -6.143 -4.145 80 1HB CYS 12 2HB CYS 12 -11.932 -4.926 -4.867 81 2HB CYS 12 3HB CYS 12 -11.442 -6.337 -5.821 82 H HIS 13 H HIS 13 -11.668 -8.821 -4.902 83 HA HIS 13 HA HIS 13 -13.272 -10.206 -6.761 84 1HB HIS 13 2HB HIS 13 -10.836 -10.728 -5.759 85 2HB HIS 13 3HB HIS 13 -11.776 -11.775 -4.731 86 HD1 HIS 13 HD1 HIS 13 -11.583 -14.085 -5.724 87 HD2 HIS 13 HD2 HIS 13 -11.781 -11.010 -8.590 88 HE1 HIS 13 HE1 HIS 13 -11.520 -15.257 -8.057 89 HE2 HIS 13 HE2 HIS 13 -11.664 -13.327 -9.814 90 H LYS 14 H LYS 14 -13.455 -10.227 -3.246 91 HA LYS 14 HA LYS 14 -15.445 -12.290 -3.020 92 1HB LYS 14 2HB LYS 14 -14.099 -11.192 -1.133 93 2HB LYS 14 3HB LYS 14 -15.222 -9.844 -1.260 94 1HG LYS 14 2HG LYS 14 -16.859 -12.176 -1.139 95 2HG LYS 14 3HG LYS 14 -15.577 -12.386 0.045 96 1HD LYS 14 2HD LYS 14 -16.442 -9.683 0.428 97 2HD LYS 14 3HD LYS 14 -17.905 -10.547 -0.009 98 1HE LYS 14 2HE LYS 14 -17.923 -10.959 2.242 99 2HE LYS 14 3HE LYS 14 -16.923 -12.334 1.745 100 1HZ LYS 14 1HZ LYS 14 -14.946 -10.988 2.229 101 2HZ LYS 14 2HZ LYS 14 -15.864 -9.700 2.632 102 3HZ LYS 14 3HZ LYS 14 -15.885 -11.045 3.581 103 H GLU 15 H GLU 15 -16.136 -8.756 -2.798 104 HA GLU 15 HA GLU 15 -18.968 -9.043 -3.314 105 1HB GLU 15 2HB GLU 15 -17.806 -7.053 -2.257 106 2HB GLU 15 3HB GLU 15 -17.189 -6.631 -3.852 107 1HG GLU 15 2HG GLU 15 -20.115 -7.139 -3.872 108 2HG GLU 15 3HG GLU 15 -19.681 -5.933 -2.697 109 H CYS 16 H CYS 16 -16.242 -9.062 -5.446 110 HA CYS 16 HA CYS 16 -17.692 -8.465 -7.809 111 1HB CYS 16 2HB CYS 16 -15.258 -8.236 -7.616 112 2HB CYS 16 3HB CYS 16 -15.094 -9.999 -7.571 113 H SER 17 H SER 17 -16.152 -11.565 -6.869 114 HA SER 17 HA SER 17 -17.579 -13.286 -8.609 115 1HB SER 17 2HB SER 17 -15.649 -13.605 -6.549 116 2HB SER 17 3HB SER 17 -17.036 -14.536 -6.027 117 HG SER 17 HG SER 17 -16.595 -15.936 -7.497 118 H ASP 18 H ASP 18 -18.624 -11.770 -5.598 119 HA ASP 18 HA ASP 18 -20.869 -13.338 -4.850 120 1HB ASP 18 2HB ASP 18 -20.278 -11.565 -3.392 121 2HB ASP 18 3HB ASP 18 -20.161 -10.441 -4.712 122 H LYS 19 H LYS 19 -20.473 -10.951 -7.528 123 HA LYS 19 HA LYS 19 -23.184 -10.919 -8.258 124 1HB LYS 19 2HB LYS 19 -20.592 -9.975 -9.366 125 2HB LYS 19 3HB LYS 19 -21.557 -10.606 -10.602 126 1HG LYS 19 2HG LYS 19 -23.063 -8.883 -8.691 127 2HG LYS 19 3HG LYS 19 -21.644 -8.069 -9.299 128 1HD LYS 19 2HD LYS 19 -22.491 -7.854 -11.423 129 2HD LYS 19 3HD LYS 19 -23.197 -9.478 -11.427 130 1HE LYS 19 2HE LYS 19 -25.119 -8.258 -11.418 131 2HE LYS 19 3HE LYS 19 -24.880 -8.591 -9.699 132 1HZ LYS 19 1HZ LYS 19 -24.686 -6.055 -11.097 133 2HZ LYS 19 2HZ LYS 19 -25.088 -6.352 -9.518 134 3HZ LYS 19 3HZ LYS 19 -23.520 -6.323 -9.966 135 H GLY 20 H GLY 20 -21.171 -13.458 -8.296 136 1HA GLY 20 2HA GLY 20 -21.504 -15.670 -8.873 137 2HA GLY 20 3HA GLY 20 -22.993 -15.218 -9.733 138 H ASN 21 H ASN 21 -20.064 -13.505 -10.423 139 HA ASN 21 HA ASN 21 -20.079 -14.462 -13.198 140 1HB ASN 21 2HB ASN 21 -19.022 -12.131 -11.753 141 2HB ASN 21 3HB ASN 21 -17.940 -12.749 -12.971 142 1HD2 ASN 21 1HD2 ASN 21 -19.786 -10.355 -12.757 143 2HD2 ASN 21 2HD2 ASN 21 -20.553 -10.386 -14.369 144 H GLY 22 H GLY 22 -17.755 -14.629 -14.092 145 1HA GLY 22 2HA GLY 22 -16.549 -17.033 -12.861 146 2HA GLY 22 3HA GLY 22 -16.012 -16.243 -14.370 147 H PHE 23 H PHE 23 -14.521 -17.213 -11.985 148 HA PHE 23 HA PHE 23 -13.513 -15.215 -10.358 149 1HB PHE 23 2HB PHE 23 -11.811 -17.419 -11.624 150 2HB PHE 23 3HB PHE 23 -11.606 -16.664 -10.058 151 HD1 PHE 23 HD1 PHE 23 -13.575 -17.011 -8.337 152 HD2 PHE 23 HD2 PHE 23 -13.017 -19.382 -11.911 153 HE1 PHE 23 HE1 PHE 23 -14.950 -18.825 -7.357 154 HE2 PHE 23 HE2 PHE 23 -14.401 -21.184 -10.932 155 HZ PHE 23 HZ PHE 23 -15.360 -20.912 -8.652 156 H THR 24 H THR 24 -11.973 -16.349 -13.373 157 HA THR 24 HA THR 24 -9.945 -14.499 -13.654 158 HB THR 24 HB THR 24 -11.499 -16.223 -15.502 159 HG1 THR 24 1HG THR 24 -9.454 -16.927 -15.850 160 1HG2 THR 24 1HG2 THR 24 -11.665 -14.490 -17.062 161 2HG2 THR 24 2HG2 THR 24 -10.135 -13.730 -16.572 162 3HG2 THR 24 3HG2 THR 24 -10.120 -15.223 -17.501 163 H PHE 25 H PHE 25 -13.141 -14.117 -15.249 164 HA PHE 25 HA PHE 25 -12.810 -11.471 -16.102 165 1HB PHE 25 2HB PHE 25 -14.735 -12.774 -16.757 166 2HB PHE 25 3HB PHE 25 -15.199 -13.038 -15.072 167 HD1 PHE 25 HD1 PHE 25 -16.539 -11.495 -13.854 168 HD2 PHE 25 HD2 PHE 25 -14.920 -10.374 -17.681 169 HE1 PHE 25 HE1 PHE 25 -17.988 -9.487 -13.876 170 HE2 PHE 25 HE2 PHE 25 -16.432 -8.401 -17.739 171 HZ PHE 25 HZ PHE 25 -18.010 -7.988 -15.836 172 H CYS 26 H CYS 26 -14.019 -12.605 -12.880 173 HA CYS 26 HA CYS 26 -14.384 -10.018 -11.881 174 1HB CYS 26 2HB CYS 26 -14.369 -12.806 -10.861 175 2HB CYS 26 3HB CYS 26 -13.748 -11.666 -9.716 176 H GLU 27 H GLU 27 -11.516 -12.014 -12.153 177 HA GLU 27 HA GLU 27 -9.823 -10.455 -10.398 178 1HB GLU 27 2HB GLU 27 -9.637 -12.926 -12.038 179 2HB GLU 27 3HB GLU 27 -8.290 -11.847 -12.352 180 1HG GLU 27 2HG GLU 27 -8.410 -11.727 -9.639 181 2HG GLU 27 3HG GLU 27 -9.117 -13.277 -9.859 182 H MET 28 H MET 28 -9.646 -10.912 -13.947 183 HA MET 28 HA MET 28 -7.999 -8.767 -14.569 184 1HB MET 28 2HB MET 28 -9.883 -10.505 -15.966 185 2HB MET 28 3HB MET 28 -10.097 -8.874 -16.570 186 1HG MET 28 2HG MET 28 -7.939 -8.696 -17.348 187 2HG MET 28 3HG MET 28 -7.314 -9.996 -16.320 188 1HE MET 28 1HE MET 28 -8.263 -9.870 -20.396 189 2HE MET 28 2HE MET 28 -7.094 -9.159 -19.261 190 3HE MET 28 3HE MET 28 -6.775 -10.756 -19.972 191 H LYS 29 H LYS 29 -11.323 -8.638 -13.596 192 HA LYS 29 HA LYS 29 -11.628 -5.809 -14.303 193 1HB LYS 29 2HB LYS 29 -13.514 -7.666 -14.295 194 2HB LYS 29 3HB LYS 29 -13.583 -7.337 -12.577 195 1HG LYS 29 2HG LYS 29 -14.880 -5.497 -13.098 196 2HG LYS 29 3HG LYS 29 -13.458 -4.773 -13.852 197 1HD LYS 29 2HD LYS 29 -14.107 -6.414 -15.880 198 2HD LYS 29 3HD LYS 29 -15.714 -6.311 -15.132 199 1HE LYS 29 2HE LYS 29 -15.799 -3.944 -15.498 200 2HE LYS 29 3HE LYS 29 -14.038 -3.842 -15.657 201 1HZ LYS 29 1HZ LYS 29 -15.925 -4.907 -17.658 202 2HZ LYS 29 2HZ LYS 29 -14.808 -3.709 -17.835 203 3HZ LYS 29 3HZ LYS 29 -14.314 -5.264 -17.697 204 H CYS 30 H CYS 30 -11.845 -7.640 -11.200 205 HA CYS 30 HA CYS 30 -11.698 -5.556 -9.381 206 1HB CYS 30 2HB CYS 30 -10.540 -8.347 -9.367 207 2HB CYS 30 3HB CYS 30 -10.436 -7.301 -7.971 208 H ASP 31 H ASP 31 -9.146 -6.932 -11.370 209 HA ASP 31 HA ASP 31 -6.863 -5.793 -10.164 210 1HB ASP 31 2HB ASP 31 -7.213 -7.549 -12.237 211 2HB ASP 31 3HB ASP 31 -7.102 -6.112 -13.188 212 H THR 32 H THR 32 -8.644 -4.712 -13.024 213 HA THR 32 HA THR 32 -7.388 -2.066 -12.943 214 HB THR 32 HB THR 32 -9.359 -3.495 -14.714 215 HG1 THR 32 1HG THR 32 -7.115 -1.841 -14.959 216 1HG2 THR 32 1HG2 THR 32 -9.750 -1.411 -16.034 217 2HG2 THR 32 2HG2 THR 32 -10.577 -1.394 -14.462 218 3HG2 THR 32 3HG2 THR 32 -9.078 -0.460 -14.688 219 H ASP 33 H ASP 33 -10.201 -3.441 -11.438 220 HA ASP 33 HA ASP 33 -11.891 -1.226 -11.083 221 1HB ASP 33 2HB ASP 33 -12.575 -3.531 -10.510 222 2HB ASP 33 3HB ASP 33 -11.299 -3.584 -9.288 223 H CYS 34 H CYS 34 -9.783 -2.615 -8.584 224 HA CYS 34 HA CYS 34 -9.566 -0.036 -7.231 225 1HB CYS 34 2HB CYS 34 -8.451 -2.800 -6.647 226 2HB CYS 34 3HB CYS 34 -8.041 -1.377 -5.696 227 H SER 35 H SER 35 -8.633 0.365 -9.611 228 HA SER 35 HA SER 35 -5.828 1.049 -9.148 229 1HB SER 35 2HB SER 35 -6.310 -1.287 -10.531 230 2HB SER 35 3HB SER 35 -5.974 -0.173 -11.844 231 HG SER 35 HG SER 35 -3.998 -0.507 -11.265 232 H VAL 36 H VAL 36 -6.764 3.178 -9.336 233 HA VAL 36 HA VAL 36 -8.284 4.168 -11.473 234 HB VAL 36 HB VAL 36 -7.651 5.206 -9.167 235 1HG1 VAL 36 1HG1 VAL 36 -5.116 5.386 -10.128 236 2HG1 VAL 36 2HG1 VAL 36 -5.707 6.987 -10.588 237 3HG1 VAL 36 3HG1 VAL 36 -5.764 6.463 -8.896 238 1HG2 VAL 36 1HG2 VAL 36 -8.997 6.842 -9.800 239 2HG2 VAL 36 2HG2 VAL 36 -7.823 7.538 -10.921 240 3HG2 VAL 36 3HG2 VAL 36 -8.910 6.248 -11.452 241 H LYS 37 H LYS 37 -6.957 6.334 -12.422 242 HA LYS 37 HA LYS 37 -4.449 5.654 -13.616 243 1HB LYS 37 2HB LYS 37 -6.709 4.494 -14.961 244 2HB LYS 37 3HB LYS 37 -6.209 5.831 -15.968 245 1HG LYS 37 2HG LYS 37 -3.768 4.825 -15.528 246 2HG LYS 37 3HG LYS 37 -4.668 3.355 -15.109 247 1HD LYS 37 2HD LYS 37 -5.590 3.164 -17.294 248 2HD LYS 37 3HD LYS 37 -5.284 4.868 -17.666 249 1HE LYS 37 2HE LYS 37 -3.602 3.915 -18.867 250 2HE LYS 37 3HE LYS 37 -2.778 4.342 -17.365 251 1HZ LYS 37 1HZ LYS 37 -3.943 1.745 -17.220 252 2HZ LYS 37 2HZ LYS 37 -2.904 1.826 -18.488 253 3HZ LYS 37 3HZ LYS 37 -2.387 2.167 -16.956 254 H ASP 38 H ASP 38 -3.799 7.642 -12.913 255 HA ASP 38 HA ASP 38 -4.617 9.881 -14.628 256 1HB ASP 38 2HB ASP 38 -5.996 9.659 -12.270 257 2HB ASP 38 3HB ASP 38 -4.537 10.435 -11.669 258 H VAL 39 H VAL 39 -2.826 10.904 -15.198 259 HA VAL 39 HA VAL 39 -0.468 11.012 -13.359 260 HB VAL 39 HB VAL 39 -0.434 10.032 -16.218 261 1HG1 VAL 39 1HG1 VAL 39 1.658 11.488 -14.737 262 2HG1 VAL 39 2HG1 VAL 39 2.235 9.921 -15.312 263 3HG1 VAL 39 3HG1 VAL 39 1.534 11.073 -16.449 264 1HG2 VAL 39 1HG2 VAL 39 1.099 8.458 -14.248 265 2HG2 VAL 39 2HG2 VAL 39 -0.574 8.546 -13.822 266 3HG2 VAL 39 3HG2 VAL 39 -0.150 7.960 -15.421 267 H LYS 40 H LYS 40 -1.578 13.042 -13.059 268 HA LYS 40 HA LYS 40 -1.983 15.061 -14.881 269 1HB LYS 40 2HB LYS 40 -1.590 16.673 -13.119 270 2HB LYS 40 3HB LYS 40 -2.383 15.237 -12.456 271 1HG LYS 40 2HG LYS 40 0.055 14.442 -11.852 272 2HG LYS 40 3HG LYS 40 0.528 16.122 -12.142 273 1HD LYS 40 2HD LYS 40 -1.738 15.349 -10.278 274 2HD LYS 40 3HD LYS 40 -0.056 15.371 -9.740 275 1HE LYS 40 2HE LYS 40 0.054 17.594 -9.611 276 2HE LYS 40 3HE LYS 40 -0.669 17.826 -11.203 277 1HZ LYS 40 1HZ LYS 40 -2.473 16.973 -9.079 278 2HZ LYS 40 2HZ LYS 40 -1.936 18.527 -8.987 279 3HZ LYS 40 3HZ LYS 40 -2.747 18.001 -10.325 280 H GLU 41 H GLU 41 -0.862 16.131 -16.340 281 HA GLU 41 HA GLU 41 1.770 15.372 -16.975 282 1HB GLU 41 2HB GLU 41 -0.090 16.645 -18.368 283 2HB GLU 41 3HB GLU 41 0.729 18.097 -17.760 284 1HG GLU 41 2HG GLU 41 2.910 17.093 -18.645 285 2HG GLU 41 3HG GLU 41 1.953 15.793 -19.350 286 H LYS 42 H LYS 42 3.753 16.491 -16.802 287 HA LYS 42 HA LYS 42 4.177 17.789 -14.200 288 1HB LYS 42 2HB LYS 42 5.836 16.210 -15.157 289 2HB LYS 42 3HB LYS 42 6.091 17.303 -16.532 290 1HG LYS 42 2HG LYS 42 6.878 19.086 -14.952 291 2HG LYS 42 3HG LYS 42 6.586 17.988 -13.591 292 1HD LYS 42 2HD LYS 42 8.286 16.420 -14.553 293 2HD LYS 42 3HD LYS 42 8.501 17.530 -15.921 294 1HE LYS 42 2HE LYS 42 10.270 18.124 -14.524 295 2HE LYS 42 3HE LYS 42 9.048 19.355 -14.184 296 1HZ LYS 42 1HZ LYS 42 8.885 18.628 -12.079 297 2HZ LYS 42 2HZ LYS 42 8.782 17.046 -12.519 298 3HZ LYS 42 3HZ LYS 42 10.256 17.756 -12.332 299 H LEU 43 H LEU 43 2.674 19.452 -14.581 300 HA LEU 43 HA LEU 43 2.659 21.448 -16.429 301 1HB LEU 43 2HB LEU 43 1.621 22.848 -14.927 302 2HB LEU 43 3HB LEU 43 1.159 21.256 -14.366 303 HG LEU 43 HG LEU 43 3.545 22.622 -13.021 304 1HD1 LEU 43 1HD1 LEU 43 1.267 24.083 -13.207 305 2HD1 LEU 43 2HD1 LEU 43 1.079 23.220 -11.660 306 3HD1 LEU 43 3HD1 LEU 43 2.532 24.190 -12.006 307 1HD2 LEU 43 1HD2 LEU 43 3.060 20.305 -12.444 308 2HD2 LEU 43 2HD2 LEU 43 2.767 21.395 -11.084 309 3HD2 LEU 43 3HD2 LEU 43 1.389 20.757 -12.030 310 H GLU 44 H GLU 44 3.767 23.323 -16.895 311 HA GLU 44 HA GLU 44 5.823 24.546 -15.468 312 1HB GLU 44 2HB GLU 44 6.723 21.943 -16.518 313 2HB GLU 44 3HB GLU 44 7.534 23.188 -17.399 314 1HG GLU 44 2HG GLU 44 7.378 23.618 -14.411 315 2HG GLU 44 3HG GLU 44 8.333 22.257 -14.968 316 H ASN 45 H ASN 45 5.252 23.299 -18.718 317 HA ASN 45 HA ASN 45 6.219 25.324 -20.318 318 1HB ASN 45 2HB ASN 45 4.360 24.832 -21.862 319 2HB ASN 45 3HB ASN 45 5.152 23.362 -21.300 320 1HD2 ASN 45 1HD2 ASN 45 2.822 22.894 -22.405 321 2HD2 ASN 45 2HD2 ASN 45 1.635 22.637 -21.112 322 H TYR 46 H TYR 46 5.815 27.396 -20.764 323 HA TYR 46 HA TYR 46 3.262 28.641 -20.281 324 1HB TYR 46 2HB TYR 46 3.701 29.843 -18.315 325 2HB TYR 46 3HB TYR 46 4.265 28.263 -17.878 326 HD1 TYR 46 HD1 TYR 46 6.909 27.783 -18.528 327 HD2 TYR 46 HD2 TYR 46 5.075 31.616 -17.736 328 HE1 TYR 46 HE1 TYR 46 9.098 28.673 -17.933 329 HE2 TYR 46 HE2 TYR 46 7.319 32.525 -17.130 330 HH TYR 46 HH TYR 46 9.663 31.086 -16.194 331 H LYS 47 H LYS 47 3.428 30.965 -20.601 332 HA LYS 47 HA LYS 47 5.829 31.720 -22.193 333 1HB LYS 47 2HB LYS 47 4.448 32.991 -23.699 334 2HB LYS 47 3HB LYS 47 3.953 31.316 -23.699 335 1HG LYS 47 2HG LYS 47 1.856 31.789 -22.941 336 2HG LYS 47 3HG LYS 47 2.447 32.830 -21.669 337 1HD LYS 47 2HD LYS 47 2.933 34.490 -23.769 338 2HD LYS 47 3HD LYS 47 1.588 33.561 -24.439 339 1HE LYS 47 2HE LYS 47 1.405 34.584 -21.593 340 2HE LYS 47 3HE LYS 47 1.398 35.788 -22.870 341 1HZ LYS 47 1HZ LYS 47 -0.769 35.314 -23.122 342 2HZ LYS 47 2HZ LYS 47 -0.342 33.853 -23.731 343 3HZ LYS 47 3HZ LYS 47 -0.694 33.986 -22.136 344 HA PRO 48 HA PRO 48 6.166 35.140 -19.496 345 1HB PRO 48 2HB PRO 48 7.480 36.986 -21.146 346 2HB PRO 48 3HB PRO 48 8.231 35.600 -20.311 347 1HG PRO 48 2HG PRO 48 7.583 35.923 -23.195 348 2HG PRO 48 3HG PRO 48 8.780 34.848 -22.403 349 1HD PRO 48 2HD PRO 48 6.188 34.191 -23.381 350 2HD PRO 48 3HD PRO 48 7.329 33.130 -22.498 351 H LYS 49 H LYS 49 5.941 37.671 -19.654 352 HA LYS 49 HA LYS 49 3.564 38.436 -21.225 353 1HB LYS 49 2HB LYS 49 2.962 37.513 -18.841 354 2HB LYS 49 3HB LYS 49 3.588 39.045 -18.236 355 1HG LYS 49 2HG LYS 49 1.566 38.955 -20.520 356 2HG LYS 49 3HG LYS 49 1.021 38.757 -18.862 357 1HD LYS 49 2HD LYS 49 2.816 41.098 -19.474 358 2HD LYS 49 3HD LYS 49 1.176 41.175 -20.051 359 1HE LYS 49 2HE LYS 49 1.358 40.171 -17.257 360 2HE LYS 49 3HE LYS 49 2.112 41.734 -17.430 361 1HZ LYS 49 1HZ LYS 49 -0.210 41.995 -16.948 362 2HZ LYS 49 2HZ LYS 49 0.160 42.619 -18.425 363 3HZ LYS 49 3HZ LYS 49 -0.626 41.173 -18.325 364 H ASN 50 H ASN 50 5.695 39.791 -18.663 365 HA ASN 50 HA ASN 50 6.927 41.717 -20.365 366 1HB ASN 50 2HB ASN 50 5.897 43.699 -19.327 367 2HB ASN 50 3HB ASN 50 4.737 42.764 -20.249 368 1HD2 ASN 50 1HD2 ASN 50 3.435 44.318 -18.875 369 2HD2 ASN 50 2HD2 ASN 50 3.025 43.653 -17.265 Start of MODEL 17 1 1H ASP 1 H1 ASP 1 1.441 0.890 0.377 2 2H ASP 1 H2 ASP 1 1.728 -0.742 0.613 3 3H ASP 1 H3 ASP 1 0.389 -0.304 -0.183 4 HA ASP 1 HA ASP 1 2.901 -0.757 -1.257 5 1HB ASP 1 2HB ASP 1 0.163 0.125 -2.285 6 2HB ASP 1 3HB ASP 1 1.533 0.055 -3.403 7 H GLU 2 H GLU 2 3.500 0.749 -3.216 8 HA GLU 2 HA GLU 2 4.092 3.467 -2.098 9 1HB GLU 2 2HB GLU 2 5.463 1.524 -3.794 10 2HB GLU 2 3HB GLU 2 5.305 3.056 -4.644 11 1HG GLU 2 2HG GLU 2 6.506 4.263 -3.051 12 2HG GLU 2 3HG GLU 2 6.181 3.097 -1.755 13 H ALA 3 H ALA 3 1.830 1.900 -4.160 14 HA ALA 3 HA ALA 3 1.434 3.871 -6.179 15 1HB ALA 3 1HB ALA 3 -0.587 2.829 -6.603 16 2HB ALA 3 2HB ALA 3 0.385 1.500 -5.892 17 3HB ALA 3 3HB ALA 3 -0.847 2.350 -4.918 18 H GLN 4 H GLN 4 -0.274 3.533 -3.052 19 HA GLN 4 HA GLN 4 -1.852 5.837 -3.050 20 1HB GLN 4 2HB GLN 4 -0.257 4.443 -0.857 21 2HB GLN 4 3HB GLN 4 -1.156 5.905 -0.488 22 1HG GLN 4 2HG GLN 4 -2.549 3.663 -1.978 23 2HG GLN 4 3HG GLN 4 -2.309 3.531 -0.228 24 1HE2 GLN 4 1HE2 GLN 4 -4.798 3.952 -1.987 25 2HE2 GLN 4 2HE2 GLN 4 -5.526 5.354 -1.188 26 H PHE 5 H PHE 5 1.613 5.735 -2.795 27 HA PHE 5 HA PHE 5 1.874 8.637 -2.245 28 1HB PHE 5 2HB PHE 5 3.289 6.741 -1.168 29 2HB PHE 5 3HB PHE 5 4.018 6.536 -2.758 30 HD1 PHE 5 HD1 PHE 5 3.924 8.539 0.193 31 HD2 PHE 5 HD2 PHE 5 5.287 8.411 -3.915 32 HE1 PHE 5 HE1 PHE 5 5.622 10.267 0.672 33 HE2 PHE 5 HE2 PHE 5 6.932 10.202 -3.401 34 HZ PHE 5 HZ PHE 5 7.013 11.205 -1.150 35 H LYS 6 H LYS 6 2.567 6.227 -4.767 36 HA LYS 6 HA LYS 6 3.795 8.063 -6.640 37 1HB LYS 6 2HB LYS 6 2.967 5.243 -6.607 38 2HB LYS 6 3HB LYS 6 2.323 5.975 -8.046 39 1HG LYS 6 2HG LYS 6 4.321 5.544 -8.905 40 2HG LYS 6 3HG LYS 6 4.872 7.011 -8.137 41 1HD LYS 6 2HD LYS 6 5.927 5.902 -6.334 42 2HD LYS 6 3HD LYS 6 4.986 4.425 -6.518 43 1HE LYS 6 2HE LYS 6 7.134 5.391 -8.418 44 2HE LYS 6 3HE LYS 6 7.265 4.052 -7.250 45 1HZ LYS 6 1HZ LYS 6 6.197 3.974 -9.859 46 2HZ LYS 6 2HZ LYS 6 6.357 2.713 -8.788 47 3HZ LYS 6 3HZ LYS 6 4.994 3.640 -8.821 48 H GLU 7 H GLU 7 0.483 7.442 -5.810 49 HA GLU 7 HA GLU 7 -0.514 9.025 -8.043 50 1HB GLU 7 2HB GLU 7 -1.673 7.352 -5.893 51 2HB GLU 7 3HB GLU 7 -2.506 8.903 -6.050 52 1HG GLU 7 2HG GLU 7 -2.652 8.490 -8.544 53 2HG GLU 7 3HG GLU 7 -2.055 6.848 -8.236 54 H CYS 8 H CYS 8 0.486 9.587 -4.689 55 HA CYS 8 HA CYS 8 -0.734 12.296 -4.656 56 1HB CYS 8 2HB CYS 8 0.124 10.558 -2.677 57 2HB CYS 8 3HB CYS 8 1.563 11.544 -2.906 58 H TYR 9 H TYR 9 2.496 10.842 -5.178 59 HA TYR 9 HA TYR 9 3.887 13.300 -5.609 60 1HB TYR 9 2HB TYR 9 4.711 10.839 -5.293 61 2HB TYR 9 3HB TYR 9 4.413 10.632 -7.004 62 HD1 TYR 9 HD1 TYR 9 5.691 12.075 -8.703 63 HD2 TYR 9 HD2 TYR 9 6.639 11.979 -4.469 64 HE1 TYR 9 HE1 TYR 9 7.939 12.886 -9.169 65 HE2 TYR 9 HE2 TYR 9 8.905 12.732 -5.002 66 HH TYR 9 HH TYR 9 10.127 13.848 -6.456 67 H ASP 10 H ASP 10 2.436 11.049 -7.993 68 HA ASP 10 HA ASP 10 3.048 12.628 -10.303 69 1HB ASP 10 2HB ASP 10 2.110 10.141 -10.044 70 2HB ASP 10 3HB ASP 10 0.528 10.912 -10.117 71 H THR 11 H THR 11 0.044 12.332 -8.432 72 HA THR 11 HA THR 11 -1.419 14.322 -9.816 73 HB THR 11 HB THR 11 -1.820 13.316 -6.998 74 HG1 THR 11 1HG THR 11 -2.466 11.666 -8.005 75 1HG2 THR 11 1HG2 THR 11 -3.530 14.707 -6.854 76 2HG2 THR 11 2HG2 THR 11 -3.316 15.260 -8.549 77 3HG2 THR 11 3HG2 THR 11 -4.299 13.829 -8.184 78 H CYS 12 H CYS 12 0.507 14.489 -6.774 79 HA CYS 12 HA CYS 12 0.034 17.247 -6.204 80 1HB CYS 12 2HB CYS 12 1.029 15.592 -4.648 81 2HB CYS 12 3HB CYS 12 2.563 15.621 -5.627 82 H HIS 13 H HIS 13 2.495 15.597 -8.256 83 HA HIS 13 HA HIS 13 3.908 17.887 -9.118 84 1HB HIS 13 2HB HIS 13 4.235 15.289 -9.672 85 2HB HIS 13 3HB HIS 13 3.303 15.752 -11.089 86 HD1 HIS 13 HD1 HIS 13 4.648 16.951 -12.925 87 HD2 HIS 13 HD2 HIS 13 6.581 16.580 -9.171 88 HE1 HIS 13 HE1 HIS 13 7.089 17.630 -13.287 89 HE2 HIS 13 HE2 HIS 13 8.286 17.329 -11.034 90 H LYS 14 H LYS 14 0.864 16.553 -10.318 91 HA LYS 14 HA LYS 14 0.531 18.383 -12.539 92 1HB LYS 14 2HB LYS 14 -1.048 16.401 -11.149 93 2HB LYS 14 3HB LYS 14 -2.046 17.863 -11.230 94 1HG LYS 14 2HG LYS 14 -1.974 17.888 -13.570 95 2HG LYS 14 3HG LYS 14 -0.542 16.806 -13.646 96 1HD LYS 14 2HD LYS 14 -1.784 14.919 -12.839 97 2HD LYS 14 3HD LYS 14 -3.225 15.930 -12.530 98 1HE LYS 14 2HE LYS 14 -3.196 16.500 -15.024 99 2HE LYS 14 3HE LYS 14 -1.931 15.265 -15.208 100 1HZ LYS 14 1HZ LYS 14 -3.721 13.851 -13.901 101 2HZ LYS 14 2HZ LYS 14 -4.772 14.904 -14.586 102 3HZ LYS 14 3HZ LYS 14 -3.790 13.967 -15.533 103 H GLU 15 H GLU 15 -0.997 18.797 -9.320 104 HA GLU 15 HA GLU 15 -1.568 21.606 -9.791 105 1HB GLU 15 2HB GLU 15 -2.613 20.003 -8.069 106 2HB GLU 15 3HB GLU 15 -1.178 20.267 -7.085 107 1HG GLU 15 2HG GLU 15 -1.831 22.343 -6.445 108 2HG GLU 15 3HG GLU 15 -2.276 22.830 -8.077 109 H CYS 16 H CYS 16 1.351 19.988 -9.036 110 HA CYS 16 HA CYS 16 2.652 22.222 -7.785 111 1HB CYS 16 2HB CYS 16 3.317 19.832 -7.474 112 2HB CYS 16 3HB CYS 16 4.045 19.880 -9.100 113 H SER 17 H SER 17 3.302 20.577 -10.912 114 HA SER 17 HA SER 17 4.882 22.583 -12.152 115 1HB SER 17 2HB SER 17 3.687 20.097 -12.917 116 2HB SER 17 3HB SER 17 3.024 21.299 -14.023 117 HG SER 17 HG SER 17 5.757 21.399 -13.533 118 H ASP 18 H ASP 18 1.365 22.493 -11.588 119 HA ASP 18 HA ASP 18 0.425 24.495 -13.370 120 1HB ASP 18 2HB ASP 18 -1.185 23.368 -12.033 121 2HB ASP 18 3HB ASP 18 -0.250 23.649 -10.569 122 H LYS 19 H LYS 19 2.357 24.831 -10.365 123 HA LYS 19 HA LYS 19 2.113 27.640 -10.229 124 1HB LYS 19 2HB LYS 19 3.720 25.505 -8.880 125 2HB LYS 19 3HB LYS 19 4.676 26.851 -9.197 126 1HG LYS 19 2HG LYS 19 1.987 27.575 -8.105 127 2HG LYS 19 3HG LYS 19 2.768 26.331 -7.141 128 1HD LYS 19 2HD LYS 19 4.885 27.936 -7.258 129 2HD LYS 19 3HD LYS 19 3.694 29.130 -7.828 130 1HE LYS 19 2HE LYS 19 2.415 28.079 -5.627 131 2HE LYS 19 3HE LYS 19 4.102 27.824 -5.152 132 1HZ LYS 19 1HZ LYS 19 2.876 30.396 -5.963 133 2HZ LYS 19 2HZ LYS 19 3.324 30.019 -4.426 134 3HZ LYS 19 3HZ LYS 19 4.467 30.231 -5.605 135 H GLY 20 H GLY 20 3.517 25.839 -12.569 136 1HA GLY 20 2HA GLY 20 4.546 26.452 -14.533 137 2HA GLY 20 3HA GLY 20 4.721 28.122 -13.908 138 H ASN 21 H ASN 21 5.790 25.538 -11.897 139 HA ASN 21 HA ASN 21 8.590 26.460 -12.081 140 1HB ASN 21 2HB ASN 21 6.948 24.992 -10.138 141 2HB ASN 21 3HB ASN 21 8.562 24.340 -10.310 142 1HD2 ASN 21 1HD2 ASN 21 7.157 26.001 -8.247 143 2HD2 ASN 21 2HD2 ASN 21 8.414 27.260 -7.915 144 H GLY 22 H GLY 22 10.156 24.538 -11.797 145 1HA GLY 22 2HA GLY 22 10.016 22.993 -14.338 146 2HA GLY 22 3HA GLY 22 11.405 23.025 -13.190 147 H PHE 23 H PHE 23 9.808 20.826 -14.528 148 HA PHE 23 HA PHE 23 8.337 19.309 -12.792 149 1HB PHE 23 2HB PHE 23 8.936 17.432 -14.162 150 2HB PHE 23 3HB PHE 23 8.938 18.835 -15.235 151 HD1 PHE 23 HD1 PHE 23 11.298 19.928 -15.690 152 HD2 PHE 23 HD2 PHE 23 10.854 16.046 -13.784 153 HE1 PHE 23 HE1 PHE 23 13.662 19.388 -16.183 154 HE2 PHE 23 HE2 PHE 23 13.163 15.522 -14.266 155 HZ PHE 23 HZ PHE 23 14.601 17.161 -15.515 156 H THR 24 H THR 24 11.860 19.307 -13.043 157 HA THR 24 HA THR 24 12.426 17.416 -11.081 158 HB THR 24 HB THR 24 13.883 19.652 -12.375 159 HG1 THR 24 1HG THR 24 14.768 17.940 -13.135 160 1HG2 THR 24 1HG2 THR 24 15.935 19.211 -10.914 161 2HG2 THR 24 2HG2 THR 24 14.726 20.255 -10.192 162 3HG2 THR 24 3HG2 THR 24 14.808 18.530 -9.713 163 H PHE 25 H PHE 25 12.615 20.943 -10.480 164 HA PHE 25 HA PHE 25 12.754 20.887 -7.720 165 1HB PHE 25 2HB PHE 25 13.073 22.916 -8.895 166 2HB PHE 25 3HB PHE 25 11.470 22.794 -9.646 167 HD1 PHE 25 HD1 PHE 25 9.489 23.573 -8.592 168 HD2 PHE 25 HD2 PHE 25 13.182 23.376 -6.365 169 HE1 PHE 25 HE1 PHE 25 8.452 24.888 -6.743 170 HE2 PHE 25 HE2 PHE 25 12.167 24.751 -4.557 171 HZ PHE 25 HZ PHE 25 9.806 25.550 -4.782 172 H CYS 26 H CYS 26 9.804 20.823 -9.747 173 HA CYS 26 HA CYS 26 8.023 20.822 -7.537 174 1HB CYS 26 2HB CYS 26 7.881 20.537 -10.483 175 2HB CYS 26 3HB CYS 26 6.763 19.488 -9.650 176 H GLU 27 H GLU 27 9.832 18.275 -9.178 177 HA GLU 27 HA GLU 27 8.412 16.000 -8.093 178 1HB GLU 27 2HB GLU 27 10.765 16.519 -9.848 179 2HB GLU 27 3HB GLU 27 11.150 15.329 -8.648 180 1HG GLU 27 2HG GLU 27 9.870 13.777 -9.663 181 2HG GLU 27 3HG GLU 27 8.496 14.910 -9.885 182 H MET 28 H MET 28 11.621 17.297 -7.291 183 HA MET 28 HA MET 28 11.968 15.830 -4.874 184 1HB MET 28 2HB MET 28 13.467 17.657 -4.158 185 2HB MET 28 3HB MET 28 13.771 17.166 -5.848 186 1HG MET 28 2HG MET 28 12.458 19.046 -6.629 187 2HG MET 28 3HG MET 28 12.209 19.639 -4.994 188 1HE MET 28 1HE MET 28 14.314 21.457 -3.772 189 2HE MET 28 2HE MET 28 13.857 19.789 -3.387 190 3HE MET 28 3HE MET 28 15.564 20.184 -3.667 191 H LYS 29 H LYS 29 10.238 18.918 -5.402 192 HA LYS 29 HA LYS 29 9.687 19.310 -2.591 193 1HB LYS 29 2HB LYS 29 9.603 21.049 -4.540 194 2HB LYS 29 3HB LYS 29 7.972 20.402 -4.838 195 1HG LYS 29 2HG LYS 29 7.587 20.870 -2.286 196 2HG LYS 29 3HG LYS 29 9.151 21.702 -2.343 197 1HD LYS 29 2HD LYS 29 7.904 23.545 -2.890 198 2HD LYS 29 3HD LYS 29 7.935 22.854 -4.515 199 1HE LYS 29 2HE LYS 29 5.619 23.192 -4.191 200 2HE LYS 29 3HE LYS 29 5.832 21.490 -3.755 201 1HZ LYS 29 1HZ LYS 29 4.699 22.222 -1.922 202 2HZ LYS 29 2HZ LYS 29 6.206 22.534 -1.385 203 3HZ LYS 29 3HZ LYS 29 5.288 23.761 -1.984 204 H CYS 30 H CYS 30 7.502 18.285 -5.236 205 HA CYS 30 HA CYS 30 5.271 17.482 -3.743 206 1HB CYS 30 2HB CYS 30 6.655 16.340 -6.224 207 2HB CYS 30 3HB CYS 30 5.096 15.718 -5.636 208 H ASP 31 H ASP 31 8.434 15.896 -4.093 209 HA ASP 31 HA ASP 31 7.829 13.342 -3.034 210 1HB ASP 31 2HB ASP 31 10.097 14.500 -4.100 211 2HB ASP 31 3HB ASP 31 10.476 14.693 -2.415 212 H THR 32 H THR 32 9.293 16.163 -1.452 213 HA THR 32 HA THR 32 8.871 15.035 1.225 214 HB THR 32 HB THR 32 9.992 17.594 0.099 215 HG1 THR 32 1HG THR 32 10.703 15.736 2.040 216 1HG2 THR 32 1HG2 THR 32 8.560 18.452 1.963 217 2HG2 THR 32 2HG2 THR 32 9.334 17.269 3.046 218 3HG2 THR 32 3HG2 THR 32 10.287 18.589 2.295 219 H ASP 33 H ASP 33 6.956 17.003 -0.909 220 HA ASP 33 HA ASP 33 5.188 18.290 0.896 221 1HB ASP 33 2HB ASP 33 5.202 18.761 -1.535 222 2HB ASP 33 3HB ASP 33 4.651 17.125 -1.835 223 H CYS 34 H CYS 34 4.425 15.382 -0.985 224 HA CYS 34 HA CYS 34 2.491 14.599 1.138 225 1HB CYS 34 2HB CYS 34 2.092 14.557 -1.469 226 2HB CYS 34 3HB CYS 34 2.991 13.037 -1.428 227 H SER 35 H SER 35 3.835 13.946 2.785 228 HA SER 35 HA SER 35 5.754 11.659 2.230 229 1HB SER 35 2HB SER 35 6.737 13.720 3.226 230 2HB SER 35 3HB SER 35 5.688 13.471 4.648 231 HG SER 35 HG SER 35 7.367 11.435 3.644 232 H VAL 36 H VAL 36 4.186 10.097 2.188 233 HA VAL 36 HA VAL 36 2.190 9.670 4.116 234 HB VAL 36 HB VAL 36 2.606 8.502 1.836 235 1HG1 VAL 36 1HG1 VAL 36 4.824 7.362 3.069 236 2HG1 VAL 36 2HG1 VAL 36 3.637 6.082 3.274 237 3HG1 VAL 36 3HG1 VAL 36 4.028 6.696 1.658 238 1HG2 VAL 36 1HG2 VAL 36 0.676 7.640 2.359 239 2HG2 VAL 36 2HG2 VAL 36 1.439 6.327 3.250 240 3HG2 VAL 36 3HG2 VAL 36 0.965 7.823 4.081 241 H LYS 37 H LYS 37 2.627 7.137 4.980 242 HA LYS 37 HA LYS 37 5.054 7.002 6.551 243 1HB LYS 37 2HB LYS 37 2.886 8.496 7.749 244 2HB LYS 37 3HB LYS 37 2.899 6.936 8.555 245 1HG LYS 37 2HG LYS 37 5.612 7.578 8.551 246 2HG LYS 37 3HG LYS 37 4.914 9.186 8.480 247 1HD LYS 37 2HD LYS 37 4.634 9.069 10.723 248 2HD LYS 37 3HD LYS 37 3.387 7.851 10.491 249 1HE LYS 37 2HE LYS 37 6.375 7.312 10.774 250 2HE LYS 37 3HE LYS 37 5.144 7.073 12.030 251 1HZ LYS 37 1HZ LYS 37 4.199 5.648 9.901 252 2HZ LYS 37 2HZ LYS 37 5.787 5.372 9.774 253 3HZ LYS 37 3HZ LYS 37 4.997 4.983 11.170 254 H ASP 38 H ASP 38 1.746 5.826 6.349 255 HA ASP 38 HA ASP 38 2.035 3.320 7.495 256 1HB ASP 38 2HB ASP 38 0.031 4.585 6.003 257 2HB ASP 38 3HB ASP 38 0.588 3.367 4.861 258 H VAL 39 H VAL 39 3.052 1.488 7.018 259 HA VAL 39 HA VAL 39 4.251 1.068 4.291 260 HB VAL 39 HB VAL 39 5.768 1.155 6.924 261 1HG1 VAL 39 1HG1 VAL 39 6.734 -0.774 6.159 262 2HG1 VAL 39 2HG1 VAL 39 6.333 -0.475 4.459 263 3HG1 VAL 39 3HG1 VAL 39 7.729 0.317 5.242 264 1HG2 VAL 39 1HG2 VAL 39 6.373 3.155 6.122 265 2HG2 VAL 39 2HG2 VAL 39 7.255 2.364 4.818 266 3HG2 VAL 39 3HG2 VAL 39 5.615 2.888 4.543 267 H LYS 40 H LYS 40 2.303 -0.192 4.335 268 HA LYS 40 HA LYS 40 1.733 -2.409 5.931 269 1HB LYS 40 2HB LYS 40 1.522 -2.196 2.882 270 2HB LYS 40 3HB LYS 40 0.850 -3.526 3.816 271 1HG LYS 40 2HG LYS 40 -1.015 -2.247 3.806 272 2HG LYS 40 3HG LYS 40 -0.282 -1.531 5.246 273 1HD LYS 40 2HD LYS 40 0.330 0.438 4.154 274 2HD LYS 40 3HD LYS 40 0.375 -0.343 2.552 275 1HE LYS 40 2HE LYS 40 -2.050 -0.590 2.550 276 2HE LYS 40 3HE LYS 40 -2.149 0.211 4.138 277 1HZ LYS 40 1HZ LYS 40 -2.456 1.644 2.031 278 2HZ LYS 40 2HZ LYS 40 -1.545 2.210 3.281 279 3HZ LYS 40 3HZ LYS 40 -0.802 1.622 1.947 280 H GLU 41 H GLU 41 3.514 -2.975 2.883 281 HA GLU 41 HA GLU 41 5.675 -4.192 4.283 282 1HB GLU 41 2HB GLU 41 3.561 -5.919 4.179 283 2HB GLU 41 3HB GLU 41 4.178 -6.194 2.565 284 1HG GLU 41 2HG GLU 41 5.749 -7.557 3.448 285 2HG GLU 41 3HG GLU 41 6.484 -6.197 4.272 286 H LYS 42 H LYS 42 6.972 -5.506 2.539 287 HA LYS 42 HA LYS 42 7.041 -3.842 0.032 288 1HB LYS 42 2HB LYS 42 9.013 -3.855 1.780 289 2HB LYS 42 3HB LYS 42 9.413 -5.427 1.123 290 1HG LYS 42 2HG LYS 42 8.923 -2.996 -0.693 291 2HG LYS 42 3HG LYS 42 10.473 -3.269 0.107 292 1HD LYS 42 2HD LYS 42 10.255 -5.698 -0.970 293 2HD LYS 42 3HD LYS 42 9.145 -4.879 -2.092 294 1HE LYS 42 2HE LYS 42 10.889 -3.358 -2.781 295 2HE LYS 42 3HE LYS 42 11.929 -3.874 -1.430 296 1HZ LYS 42 1HZ LYS 42 12.674 -5.032 -3.392 297 2HZ LYS 42 2HZ LYS 42 11.872 -6.142 -2.468 298 3HZ LYS 42 3HZ LYS 42 11.153 -5.526 -3.786 299 H LEU 43 H LEU 43 5.218 -5.312 -0.449 300 HA LEU 43 HA LEU 43 5.379 -8.051 -0.964 301 1HB LEU 43 2HB LEU 43 4.080 -5.886 -2.714 302 2HB LEU 43 3HB LEU 43 3.879 -7.599 -2.944 303 HG LEU 43 HG LEU 43 3.165 -7.580 -0.353 304 1HD1 LEU 43 1HD1 LEU 43 1.575 -5.252 -0.572 305 2HD1 LEU 43 2HD1 LEU 43 2.980 -5.478 0.490 306 3HD1 LEU 43 3HD1 LEU 43 3.148 -4.706 -1.095 307 1HD2 LEU 43 1HD2 LEU 43 1.197 -6.685 -2.482 308 2HD2 LEU 43 2HD2 LEU 43 1.853 -8.332 -2.379 309 3HD2 LEU 43 3HD2 LEU 43 0.912 -7.701 -1.040 310 H GLU 44 H GLU 44 5.772 -9.242 -3.013 311 HA GLU 44 HA GLU 44 7.381 -8.148 -5.094 312 1HB GLU 44 2HB GLU 44 8.788 -8.937 -2.587 313 2HB GLU 44 3HB GLU 44 9.287 -9.965 -3.890 314 1HG GLU 44 2HG GLU 44 9.186 -6.919 -4.239 315 2HG GLU 44 3HG GLU 44 10.574 -7.726 -3.548 316 H ASN 45 H ASN 45 8.553 -10.135 -6.145 317 HA ASN 45 HA ASN 45 8.260 -12.093 -7.336 318 1HB ASN 45 2HB ASN 45 6.622 -13.084 -4.971 319 2HB ASN 45 3HB ASN 45 7.389 -14.059 -6.206 320 1HD2 ASN 45 1HD2 ASN 45 7.623 -13.299 -3.142 321 2HD2 ASN 45 2HD2 ASN 45 9.412 -13.350 -2.968 322 H TYR 46 H TYR 46 7.078 -11.373 -9.049 323 HA TYR 46 HA TYR 46 4.278 -12.254 -9.185 324 1HB TYR 46 2HB TYR 46 4.304 -9.986 -7.796 325 2HB TYR 46 3HB TYR 46 4.663 -9.221 -9.288 326 HD1 TYR 46 HD1 TYR 46 2.255 -11.278 -7.404 327 HD2 TYR 46 HD2 TYR 46 2.940 -8.979 -10.995 328 HE1 TYR 46 HE1 TYR 46 -0.212 -11.238 -7.852 329 HE2 TYR 46 HE2 TYR 46 0.484 -8.937 -11.447 330 HH TYR 46 HH TYR 46 -1.524 -10.125 -10.882 331 H LYS 47 H LYS 47 5.123 -13.272 -11.052 332 HA LYS 47 HA LYS 47 4.792 -11.880 -13.482 333 1HB LYS 47 2HB LYS 47 7.494 -11.522 -12.398 334 2HB LYS 47 3HB LYS 47 7.562 -12.357 -13.933 335 1HG LYS 47 2HG LYS 47 5.738 -10.424 -14.619 336 2HG LYS 47 3HG LYS 47 6.596 -9.554 -13.335 337 1HD LYS 47 2HD LYS 47 8.732 -10.047 -14.444 338 2HD LYS 47 3HD LYS 47 7.809 -10.888 -15.735 339 1HE LYS 47 2HE LYS 47 6.469 -8.509 -15.656 340 2HE LYS 47 3HE LYS 47 8.049 -7.959 -15.079 341 1HZ LYS 47 1HZ LYS 47 7.263 -8.809 -17.717 342 2HZ LYS 47 2HZ LYS 47 8.586 -7.919 -17.270 343 3HZ LYS 47 3HZ LYS 47 8.622 -9.564 -17.211 344 HA PRO 48 HA PRO 48 4.678 -16.431 -13.666 345 1HB PRO 48 2HB PRO 48 2.265 -16.533 -15.107 346 2HB PRO 48 3HB PRO 48 2.450 -16.574 -13.319 347 1HG PRO 48 2HG PRO 48 1.465 -14.355 -15.039 348 2HG PRO 48 3HG PRO 48 1.217 -14.645 -13.277 349 1HD PRO 48 2HD PRO 48 3.056 -12.853 -14.543 350 2HD PRO 48 3HD PRO 48 2.895 -13.203 -12.791 351 H LYS 49 H LYS 49 5.747 -17.376 -15.230 352 HA LYS 49 HA LYS 49 6.762 -16.187 -17.544 353 1HB LYS 49 2HB LYS 49 6.876 -18.819 -16.340 354 2HB LYS 49 3HB LYS 49 6.328 -19.043 -18.006 355 1HG LYS 49 2HG LYS 49 8.265 -17.510 -18.699 356 2HG LYS 49 3HG LYS 49 8.869 -17.645 -17.036 357 1HD LYS 49 2HD LYS 49 9.576 -19.815 -17.323 358 2HD LYS 49 3HD LYS 49 8.182 -20.241 -18.321 359 1HE LYS 49 2HE LYS 49 9.545 -18.448 -19.963 360 2HE LYS 49 3HE LYS 49 10.864 -19.280 -19.122 361 1HZ LYS 49 1HZ LYS 49 8.783 -20.367 -20.913 362 2HZ LYS 49 2HZ LYS 49 10.404 -20.690 -20.919 363 3HZ LYS 49 3HZ LYS 49 9.413 -21.356 -19.781 364 H ASN 50 H ASN 50 6.363 -16.541 -19.786 365 HA ASN 50 HA ASN 50 3.479 -16.240 -20.393 366 1HB ASN 50 2HB ASN 50 5.796 -14.989 -21.398 367 2HB ASN 50 3HB ASN 50 5.384 -16.196 -22.633 368 1HD2 ASN 50 1HD2 ASN 50 3.267 -16.111 -23.498 369 2HD2 ASN 50 2HD2 ASN 50 2.426 -14.537 -23.573 Start of MODEL 18 1 1H ASP 1 H1 ASP 1 0.422 -0.249 -0.199 2 2H ASP 1 H2 ASP 1 1.391 0.937 0.424 3 3H ASP 1 H3 ASP 1 1.756 -0.686 0.644 4 HA ASP 1 HA ASP 1 2.579 0.954 -1.426 5 1HB ASP 1 2HB ASP 1 2.991 -1.831 -0.446 6 2HB ASP 1 3HB ASP 1 3.263 -1.616 -2.179 7 H GLU 2 H GLU 2 2.047 1.066 -3.615 8 HA GLU 2 HA GLU 2 -0.539 0.176 -4.471 9 1HB GLU 2 2HB GLU 2 0.101 0.995 -6.615 10 2HB GLU 2 3HB GLU 2 0.740 2.104 -5.400 11 1HG GLU 2 2HG GLU 2 2.966 0.760 -5.596 12 2HG GLU 2 3HG GLU 2 2.231 -0.017 -6.999 13 H ALA 3 H ALA 3 2.736 -1.156 -4.969 14 HA ALA 3 HA ALA 3 2.077 -3.227 -6.710 15 1HB ALA 3 1HB ALA 3 4.149 -4.327 -5.924 16 2HB ALA 3 2HB ALA 3 4.399 -2.596 -6.229 17 3HB ALA 3 3HB ALA 3 4.232 -3.200 -4.559 18 H GLN 4 H GLN 4 2.160 -3.374 -3.156 19 HA GLN 4 HA GLN 4 1.369 -5.982 -2.649 20 1HB GLN 4 2HB GLN 4 1.257 -3.359 -1.297 21 2HB GLN 4 3HB GLN 4 -0.088 -4.360 -0.813 22 1HG GLN 4 2HG GLN 4 2.569 -5.748 -0.870 23 2HG GLN 4 3HG GLN 4 2.430 -4.420 0.274 24 1HE2 GLN 4 1HE2 GLN 4 2.657 -6.043 2.028 25 2HE2 GLN 4 2HE2 GLN 4 1.199 -6.983 2.379 26 H PHE 5 H PHE 5 -0.578 -3.362 -3.886 27 HA PHE 5 HA PHE 5 -3.069 -4.937 -3.830 28 1HB PHE 5 2HB PHE 5 -2.887 -2.383 -3.385 29 2HB PHE 5 3HB PHE 5 -2.514 -2.219 -5.094 30 HD1 PHE 5 HD1 PHE 5 -5.084 -2.646 -2.641 31 HD2 PHE 5 HD2 PHE 5 -4.218 -3.003 -6.847 32 HE1 PHE 5 HE1 PHE 5 -7.495 -2.428 -3.178 33 HE2 PHE 5 HE2 PHE 5 -6.643 -2.896 -7.348 34 HZ PHE 5 HZ PHE 5 -8.279 -2.690 -5.515 35 H LYS 6 H LYS 6 -0.825 -3.579 -6.232 36 HA LYS 6 HA LYS 6 -2.176 -4.564 -8.553 37 1HB LYS 6 2HB LYS 6 -0.260 -2.923 -8.554 38 2HB LYS 6 3HB LYS 6 0.804 -4.261 -8.128 39 1HG LYS 6 2HG LYS 6 -0.587 -5.171 -10.440 40 2HG LYS 6 3HG LYS 6 -0.259 -3.465 -10.750 41 1HD LYS 6 2HD LYS 6 2.120 -3.789 -10.320 42 2HD LYS 6 3HD LYS 6 1.847 -5.481 -9.847 43 1HE LYS 6 2HE LYS 6 1.330 -6.186 -12.008 44 2HE LYS 6 3HE LYS 6 0.865 -4.569 -12.545 45 1HZ LYS 6 1HZ LYS 6 3.026 -5.251 -13.427 46 2HZ LYS 6 2HZ LYS 6 3.171 -3.910 -12.477 47 3HZ LYS 6 3HZ LYS 6 3.644 -5.378 -11.904 48 H GLU 7 H GLU 7 -0.106 -6.210 -6.272 49 HA GLU 7 HA GLU 7 -0.010 -8.658 -7.804 50 1HB GLU 7 2HB GLU 7 0.846 -7.860 -5.018 51 2HB GLU 7 3HB GLU 7 0.639 -9.574 -5.407 52 1HG GLU 7 2HG GLU 7 2.144 -9.320 -7.369 53 2HG GLU 7 3HG GLU 7 2.449 -7.641 -6.922 54 H CYS 8 H CYS 8 -2.119 -7.340 -5.277 55 HA CYS 8 HA CYS 8 -3.543 -9.844 -4.941 56 1HB CYS 8 2HB CYS 8 -3.465 -7.549 -3.465 57 2HB CYS 8 3HB CYS 8 -4.876 -7.232 -4.451 58 H TYR 9 H TYR 9 -4.097 -6.870 -6.823 59 HA TYR 9 HA TYR 9 -6.492 -7.679 -8.061 60 1HB TYR 9 2HB TYR 9 -5.276 -5.387 -8.020 61 2HB TYR 9 3HB TYR 9 -4.311 -5.966 -9.351 62 HD1 TYR 9 HD1 TYR 9 -5.501 -6.609 -11.560 63 HD2 TYR 9 HD2 TYR 9 -7.500 -4.610 -8.302 64 HE1 TYR 9 HE1 TYR 9 -7.222 -5.749 -13.136 65 HE2 TYR 9 HE2 TYR 9 -9.113 -3.659 -9.909 66 HH TYR 9 HH TYR 9 -9.501 -3.260 -12.092 67 H ASP 10 H ASP 10 -3.163 -7.942 -9.365 68 HA ASP 10 HA ASP 10 -3.873 -9.302 -11.779 69 1HB ASP 10 2HB ASP 10 -1.628 -8.181 -10.933 70 2HB ASP 10 3HB ASP 10 -1.240 -9.777 -10.325 71 H THR 11 H THR 11 -2.658 -10.581 -8.694 72 HA THR 11 HA THR 11 -2.885 -13.353 -9.384 73 HB THR 11 HB THR 11 -2.830 -12.059 -6.622 74 HG1 THR 11 1HG THR 11 -0.766 -13.089 -8.294 75 1HG2 THR 11 1HG2 THR 11 -2.981 -14.113 -5.782 76 2HG2 THR 11 2HG2 THR 11 -3.024 -14.880 -7.371 77 3HG2 THR 11 3HG2 THR 11 -1.469 -14.552 -6.582 78 H CYS 12 H CYS 12 -5.157 -11.163 -7.598 79 HA CYS 12 HA CYS 12 -7.140 -13.145 -7.120 80 1HB CYS 12 2HB CYS 12 -7.191 -10.894 -6.064 81 2HB CYS 12 3HB CYS 12 -7.561 -10.185 -7.623 82 H HIS 13 H HIS 13 -6.545 -10.936 -9.927 83 HA HIS 13 HA HIS 13 -8.714 -11.728 -11.524 84 1HB HIS 13 2HB HIS 13 -6.767 -9.961 -11.943 85 2HB HIS 13 3HB HIS 13 -6.050 -11.298 -12.802 86 HD1 HIS 13 HD1 HIS 13 -6.525 -10.647 -15.277 87 HD2 HIS 13 HD2 HIS 13 -9.696 -9.893 -12.628 88 HE1 HIS 13 HE1 HIS 13 -8.462 -9.652 -16.684 89 HE2 HIS 13 HE2 HIS 13 -10.361 -9.244 -15.139 90 H LYS 14 H LYS 14 -5.648 -13.351 -11.073 91 HA LYS 14 HA LYS 14 -6.014 -15.428 -12.991 92 1HB LYS 14 2HB LYS 14 -4.118 -14.840 -10.903 93 2HB LYS 14 3HB LYS 14 -4.685 -16.494 -10.662 94 1HG LYS 14 2HG LYS 14 -4.296 -16.636 -13.316 95 2HG LYS 14 3HG LYS 14 -3.226 -15.274 -12.991 96 1HD LYS 14 2HD LYS 14 -2.911 -17.622 -11.124 97 2HD LYS 14 3HD LYS 14 -2.588 -17.959 -12.816 98 1HE LYS 14 2HE LYS 14 -0.498 -17.263 -12.155 99 2HE LYS 14 3HE LYS 14 -1.183 -15.761 -12.781 100 1HZ LYS 14 1HZ LYS 14 -0.459 -16.444 -10.072 101 2HZ LYS 14 2HZ LYS 14 -0.589 -14.958 -10.767 102 3HZ LYS 14 3HZ LYS 14 -1.929 -15.719 -10.180 103 H GLU 15 H GLU 15 -6.588 -15.855 -9.475 104 HA GLU 15 HA GLU 15 -8.224 -18.196 -9.775 105 1HB GLU 15 2HB GLU 15 -6.960 -17.382 -7.722 106 2HB GLU 15 3HB GLU 15 -8.252 -16.199 -7.489 107 1HG GLU 15 2HG GLU 15 -9.823 -17.780 -6.903 108 2HG GLU 15 3HG GLU 15 -9.124 -19.044 -7.912 109 H CYS 16 H CYS 16 -8.978 -14.875 -10.210 110 HA CYS 16 HA CYS 16 -11.792 -15.126 -9.948 111 1HB CYS 16 2HB CYS 16 -10.578 -13.005 -9.759 112 2HB CYS 16 3HB CYS 16 -10.297 -13.014 -11.485 113 H SER 17 H SER 17 -9.791 -14.555 -12.854 114 HA SER 17 HA SER 17 -11.751 -15.183 -14.832 115 1HB SER 17 2HB SER 17 -9.044 -14.384 -14.855 116 2HB SER 17 3HB SER 17 -9.043 -15.962 -15.618 117 HG SER 17 HG SER 17 -10.948 -13.981 -16.323 118 H ASP 18 H ASP 18 -9.757 -17.309 -12.854 119 HA ASP 18 HA ASP 18 -10.047 -19.816 -14.109 120 1HB ASP 18 2HB ASP 18 -8.716 -19.732 -12.173 121 2HB ASP 18 3HB ASP 18 -9.942 -18.876 -11.262 122 H LYS 19 H LYS 19 -12.477 -17.953 -12.160 123 HA LYS 19 HA LYS 19 -14.393 -19.995 -12.147 124 1HB LYS 19 2HB LYS 19 -14.224 -17.157 -11.466 125 2HB LYS 19 3HB LYS 19 -15.725 -17.470 -12.238 126 1HG LYS 19 2HG LYS 19 -14.972 -19.511 -10.217 127 2HG LYS 19 3HG LYS 19 -14.934 -17.887 -9.556 128 1HD LYS 19 2HD LYS 19 -17.167 -17.594 -9.631 129 2HD LYS 19 3HD LYS 19 -17.374 -18.414 -11.185 130 1HE LYS 19 2HE LYS 19 -16.590 -19.993 -8.731 131 2HE LYS 19 3HE LYS 19 -18.285 -19.544 -8.971 132 1HZ LYS 19 1HZ LYS 19 -18.319 -20.731 -11.027 133 2HZ LYS 19 2HZ LYS 19 -16.692 -20.892 -11.078 134 3HZ LYS 19 3HZ LYS 19 -17.556 -21.750 -9.975 135 H GLY 20 H GLY 20 -13.169 -18.490 -14.816 136 1HA GLY 20 2HA GLY 20 -13.644 -18.614 -17.012 137 2HA GLY 20 3HA GLY 20 -15.087 -19.570 -16.688 138 H ASN 21 H ASN 21 -14.633 -16.507 -15.145 139 HA ASN 21 HA ASN 21 -17.046 -15.429 -16.385 140 1HB ASN 21 2HB ASN 21 -15.427 -14.840 -13.998 141 2HB ASN 21 3HB ASN 21 -16.004 -13.413 -14.809 142 1HD2 ASN 21 1HD2 ASN 21 -16.807 -14.907 -12.196 143 2HD2 ASN 21 2HD2 ASN 21 -18.574 -14.902 -12.431 144 H GLY 22 H GLY 22 -16.889 -12.997 -16.858 145 1HA GLY 22 2HA GLY 22 -15.143 -12.647 -19.195 146 2HA GLY 22 3HA GLY 22 -16.256 -11.448 -18.557 147 H PHE 23 H PHE 23 -13.135 -11.892 -19.128 148 HA PHE 23 HA PHE 23 -11.471 -11.226 -17.112 149 1HB PHE 23 2HB PHE 23 -11.384 -11.014 -19.899 150 2HB PHE 23 3HB PHE 23 -11.221 -9.338 -19.422 151 HD1 PHE 23 HD1 PHE 23 -9.886 -12.576 -18.043 152 HD2 PHE 23 HD2 PHE 23 -9.000 -8.643 -19.537 153 HE1 PHE 23 HE1 PHE 23 -7.496 -12.964 -17.609 154 HE2 PHE 23 HE2 PHE 23 -6.606 -9.046 -19.191 155 HZ PHE 23 HZ PHE 23 -5.814 -11.205 -18.226 156 H THR 24 H THR 24 -13.194 -8.647 -18.797 157 HA THR 24 HA THR 24 -12.663 -6.430 -17.178 158 HB THR 24 HB THR 24 -14.853 -7.212 -19.048 159 HG1 THR 24 1HG THR 24 -12.960 -5.985 -19.615 160 1HG2 THR 24 1HG2 THR 24 -15.347 -5.052 -16.975 161 2HG2 THR 24 2HG2 THR 24 -16.042 -4.955 -18.599 162 3HG2 THR 24 3HG2 THR 24 -16.434 -6.328 -17.570 163 H PHE 25 H PHE 25 -15.582 -8.507 -16.814 164 HA PHE 25 HA PHE 25 -16.529 -7.363 -14.408 165 1HB PHE 25 2HB PHE 25 -17.931 -8.896 -15.610 166 2HB PHE 25 3HB PHE 25 -16.706 -10.157 -15.609 167 HD1 PHE 25 HD1 PHE 25 -16.395 -11.651 -13.754 168 HD2 PHE 25 HD2 PHE 25 -19.035 -8.275 -13.372 169 HE1 PHE 25 HE1 PHE 25 -17.319 -12.617 -11.685 170 HE2 PHE 25 HE2 PHE 25 -19.984 -9.261 -11.308 171 HZ PHE 25 HZ PHE 25 -19.178 -11.468 -10.489 172 H CYS 26 H CYS 26 -14.209 -10.078 -14.899 173 HA CYS 26 HA CYS 26 -13.780 -10.529 -12.182 174 1HB CYS 26 2HB CYS 26 -12.640 -11.350 -14.760 175 2HB CYS 26 3HB CYS 26 -11.434 -11.243 -13.511 176 H GLU 27 H GLU 27 -12.341 -8.129 -14.369 177 HA GLU 27 HA GLU 27 -10.247 -7.223 -12.609 178 1HB GLU 27 2HB GLU 27 -11.411 -6.588 -15.242 179 2HB GLU 27 3HB GLU 27 -11.045 -5.145 -14.327 180 1HG GLU 27 2HG GLU 27 -8.840 -5.360 -14.552 181 2HG GLU 27 3HG GLU 27 -8.844 -7.076 -14.169 182 H MET 28 H MET 28 -13.277 -5.563 -13.522 183 HA MET 28 HA MET 28 -13.300 -3.654 -11.471 184 1HB MET 28 2HB MET 28 -15.453 -5.015 -13.109 185 2HB MET 28 3HB MET 28 -15.959 -4.119 -11.681 186 1HG MET 28 2HG MET 28 -16.113 -2.502 -13.247 187 2HG MET 28 3HG MET 28 -14.514 -2.169 -12.587 188 1HE MET 28 1HE MET 28 -14.781 -1.371 -16.523 189 2HE MET 28 2HE MET 28 -16.307 -2.058 -15.918 190 3HE MET 28 3HE MET 28 -15.425 -0.853 -14.946 191 H LYS 29 H LYS 29 -14.310 -7.021 -11.291 192 HA LYS 29 HA LYS 29 -15.390 -6.737 -8.620 193 1HB LYS 29 2HB LYS 29 -15.988 -8.539 -10.372 194 2HB LYS 29 3HB LYS 29 -14.527 -9.356 -9.872 195 1HG LYS 29 2HG LYS 29 -16.165 -8.402 -7.571 196 2HG LYS 29 3HG LYS 29 -17.084 -9.449 -8.646 197 1HD LYS 29 2HD LYS 29 -15.522 -11.243 -8.402 198 2HD LYS 29 3HD LYS 29 -14.332 -10.210 -7.579 199 1HE LYS 29 2HE LYS 29 -15.264 -10.463 -5.586 200 2HE LYS 29 3HE LYS 29 -16.862 -10.010 -6.177 201 1HZ LYS 29 1HZ LYS 29 -17.344 -12.233 -6.684 202 2HZ LYS 29 2HZ LYS 29 -15.752 -12.696 -6.659 203 3HZ LYS 29 3HZ LYS 29 -16.519 -12.346 -5.258 204 H CYS 30 H CYS 30 -12.420 -8.317 -9.826 205 HA CYS 30 HA CYS 30 -11.061 -8.840 -7.425 206 1HB CYS 30 2HB CYS 30 -10.080 -7.968 -10.143 207 2HB CYS 30 3HB CYS 30 -9.014 -8.456 -8.825 208 H ASP 31 H ASP 31 -11.473 -5.769 -9.127 209 HA ASP 31 HA ASP 31 -9.687 -4.123 -7.720 210 1HB ASP 31 2HB ASP 31 -11.380 -3.777 -9.803 211 2HB ASP 31 3HB ASP 31 -12.429 -3.144 -8.573 212 H THR 32 H THR 32 -13.157 -4.493 -7.187 213 HA THR 32 HA THR 32 -13.069 -3.233 -4.557 214 HB THR 32 HB THR 32 -15.208 -4.511 -6.238 215 HG1 THR 32 1HG THR 32 -15.292 -2.483 -6.574 216 1HG2 THR 32 1HG2 THR 32 -16.076 -5.408 -4.289 217 2HG2 THR 32 2HG2 THR 32 -15.454 -4.104 -3.248 218 3HG2 THR 32 3HG2 THR 32 -16.841 -3.812 -4.315 219 H ASP 33 H ASP 33 -12.706 -6.574 -5.649 220 HA ASP 33 HA ASP 33 -13.336 -8.000 -3.342 221 1HB ASP 33 2HB ASP 33 -12.836 -9.087 -5.493 222 2HB ASP 33 3HB ASP 33 -11.183 -8.476 -5.423 223 H CYS 34 H CYS 34 -10.021 -7.221 -4.394 224 HA CYS 34 HA CYS 34 -9.083 -7.343 -1.615 225 1HB CYS 34 2HB CYS 34 -7.946 -8.402 -3.708 226 2HB CYS 34 3HB CYS 34 -7.336 -6.771 -3.985 227 H SER 35 H SER 35 -10.052 -5.466 -0.787 228 HA SER 35 HA SER 35 -8.659 -2.973 -1.491 229 1HB SER 35 2HB SER 35 -11.505 -3.418 -2.013 230 2HB SER 35 3HB SER 35 -11.200 -2.033 -0.943 231 HG SER 35 HG SER 35 -9.934 -2.592 -3.449 232 H VAL 36 H VAL 36 -7.825 -2.157 0.203 233 HA VAL 36 HA VAL 36 -8.299 -3.097 2.812 234 HB VAL 36 HB VAL 36 -6.265 -1.864 1.777 235 1HG1 VAL 36 1HG1 VAL 36 -7.166 0.640 3.138 236 2HG1 VAL 36 2HG1 VAL 36 -6.082 0.401 1.759 237 3HG1 VAL 36 3HG1 VAL 36 -7.830 0.308 1.530 238 1HG2 VAL 36 1HG2 VAL 36 -6.971 -2.489 4.420 239 2HG2 VAL 36 2HG2 VAL 36 -5.369 -2.183 3.764 240 3HG2 VAL 36 3HG2 VAL 36 -6.282 -0.856 4.499 241 H LYS 37 H LYS 37 -8.448 -0.883 4.403 242 HA LYS 37 HA LYS 37 -10.829 0.602 3.704 243 1HB LYS 37 2HB LYS 37 -11.604 -1.641 4.610 244 2HB LYS 37 3HB LYS 37 -10.960 -1.176 6.183 245 1HG LYS 37 2HG LYS 37 -12.655 0.316 6.575 246 2HG LYS 37 3HG LYS 37 -12.772 0.835 4.889 247 1HD LYS 37 2HD LYS 37 -13.679 -1.949 5.687 248 2HD LYS 37 3HD LYS 37 -14.720 -0.542 5.924 249 1HE LYS 37 2HE LYS 37 -13.626 -0.319 3.272 250 2HE LYS 37 3HE LYS 37 -14.104 -1.999 3.450 251 1HZ LYS 37 1HZ LYS 37 -16.307 -1.200 4.175 252 2HZ LYS 37 2HZ LYS 37 -15.834 0.360 3.941 253 3HZ LYS 37 3HZ LYS 37 -15.954 -0.663 2.661 254 H ASP 38 H ASP 38 -11.387 2.254 5.255 255 HA ASP 38 HA ASP 38 -9.002 3.551 6.333 256 1HB ASP 38 2HB ASP 38 -11.346 4.503 5.098 257 2HB ASP 38 3HB ASP 38 -11.590 4.882 6.800 258 H VAL 39 H VAL 39 -8.462 3.284 8.400 259 HA VAL 39 HA VAL 39 -10.517 2.839 10.501 260 HB VAL 39 HB VAL 39 -7.979 1.246 10.186 261 1HG1 VAL 39 1HG1 VAL 39 -8.074 0.538 12.315 262 2HG1 VAL 39 2HG1 VAL 39 -9.055 1.968 12.616 263 3HG1 VAL 39 3HG1 VAL 39 -9.828 0.396 12.342 264 1HG2 VAL 39 1HG2 VAL 39 -10.437 -0.344 10.460 265 2HG2 VAL 39 2HG2 VAL 39 -10.443 0.656 9.014 266 3HG2 VAL 39 3HG2 VAL 39 -9.114 -0.465 9.310 267 H LYS 40 H LYS 40 -10.186 5.117 10.572 268 HA LYS 40 HA LYS 40 -7.857 6.482 11.154 269 1HB LYS 40 2HB LYS 40 -10.644 6.868 12.321 270 2HB LYS 40 3HB LYS 40 -9.324 7.981 12.636 271 1HG LYS 40 2HG LYS 40 -9.251 7.744 9.843 272 2HG LYS 40 3HG LYS 40 -10.969 7.613 10.201 273 1HD LYS 40 2HD LYS 40 -10.731 9.888 9.933 274 2HD LYS 40 3HD LYS 40 -10.565 9.779 11.687 275 1HE LYS 40 2HE LYS 40 -8.101 9.512 9.934 276 2HE LYS 40 3HE LYS 40 -8.835 11.104 10.076 277 1HZ LYS 40 1HZ LYS 40 -8.690 10.175 12.653 278 2HZ LYS 40 2HZ LYS 40 -7.251 9.724 11.988 279 3HZ LYS 40 3HZ LYS 40 -7.712 11.303 11.962 280 H GLU 41 H GLU 41 -6.418 6.519 12.702 281 HA GLU 41 HA GLU 41 -6.894 5.106 15.270 282 1HB GLU 41 2HB GLU 41 -4.649 5.146 13.290 283 2HB GLU 41 3HB GLU 41 -4.175 5.062 14.983 284 1HG GLU 41 2HG GLU 41 -6.248 3.168 13.829 285 2HG GLU 41 3HG GLU 41 -4.519 2.841 13.776 286 H LYS 42 H LYS 42 -7.712 7.613 15.065 287 HA LYS 42 HA LYS 42 -5.977 8.999 17.006 288 1HB LYS 42 2HB LYS 42 -5.566 9.889 14.604 289 2HB LYS 42 3HB LYS 42 -7.168 10.628 14.750 290 1HG LYS 42 2HG LYS 42 -6.471 11.856 16.741 291 2HG LYS 42 3HG LYS 42 -4.909 11.017 16.776 292 1HD LYS 42 2HD LYS 42 -4.031 12.200 15.006 293 2HD LYS 42 3HD LYS 42 -5.591 12.398 14.212 294 1HE LYS 42 2HE LYS 42 -5.594 14.498 14.902 295 2HE LYS 42 3HE LYS 42 -6.034 13.868 16.486 296 1HZ LYS 42 1HZ LYS 42 -3.848 15.366 15.989 297 2HZ LYS 42 2HZ LYS 42 -3.997 14.382 17.293 298 3HZ LYS 42 3HZ LYS 42 -3.189 13.858 15.963 299 H LEU 43 H LEU 43 -7.728 7.624 17.996 300 HA LEU 43 HA LEU 43 -10.384 8.376 18.109 301 1HB LEU 43 2HB LEU 43 -10.567 7.208 20.113 302 2HB LEU 43 3HB LEU 43 -9.277 6.399 19.265 303 HG LEU 43 HG LEU 43 -8.172 8.504 20.978 304 1HD1 LEU 43 1HD1 LEU 43 -10.434 7.743 22.189 305 2HD1 LEU 43 2HD1 LEU 43 -9.373 6.433 22.748 306 3HD1 LEU 43 3HD1 LEU 43 -8.954 8.133 23.053 307 1HD2 LEU 43 1HD2 LEU 43 -7.038 6.448 20.013 308 2HD2 LEU 43 2HD2 LEU 43 -6.681 6.894 21.689 309 3HD2 LEU 43 3HD2 LEU 43 -7.793 5.548 21.345 310 H GLU 44 H GLU 44 -11.601 9.675 19.692 311 HA GLU 44 HA GLU 44 -10.401 12.318 19.878 312 1HB GLU 44 2HB GLU 44 -12.557 13.031 20.677 313 2HB GLU 44 3HB GLU 44 -12.748 12.015 19.248 314 1HG GLU 44 2HG GLU 44 -13.299 10.062 20.686 315 2HG GLU 44 3HG GLU 44 -13.100 11.059 22.130 316 H ASN 45 H ASN 45 -10.513 13.557 21.912 317 HA ASN 45 HA ASN 45 -10.113 11.951 24.343 318 1HB ASN 45 2HB ASN 45 -8.169 14.130 23.448 319 2HB ASN 45 3HB ASN 45 -8.070 13.197 24.944 320 1HD2 ASN 45 1HD2 ASN 45 -7.924 10.701 24.562 321 2HD2 ASN 45 2HD2 ASN 45 -6.943 10.268 23.168 322 H TYR 46 H TYR 46 -10.241 13.241 26.265 323 HA TYR 46 HA TYR 46 -11.551 15.852 25.985 324 1HB TYR 46 2HB TYR 46 -13.103 13.572 26.151 325 2HB TYR 46 3HB TYR 46 -12.911 13.966 27.853 326 HD1 TYR 46 HD1 TYR 46 -14.178 15.100 24.559 327 HD2 TYR 46 HD2 TYR 46 -14.046 15.909 28.790 328 HE1 TYR 46 HE1 TYR 46 -15.995 16.751 24.293 329 HE2 TYR 46 HE2 TYR 46 -15.830 17.631 28.511 330 HH TYR 46 HH TYR 46 -17.127 18.475 25.314 331 H LYS 47 H LYS 47 -12.035 16.639 28.227 332 HA LYS 47 HA LYS 47 -9.756 16.014 30.064 333 1HB LYS 47 2HB LYS 47 -10.044 18.454 30.828 334 2HB LYS 47 3HB LYS 47 -9.202 18.131 29.323 335 1HG LYS 47 2HG LYS 47 -10.882 18.974 27.979 336 2HG LYS 47 3HG LYS 47 -12.175 18.656 29.143 337 1HD LYS 47 2HD LYS 47 -10.007 20.725 29.629 338 2HD LYS 47 3HD LYS 47 -11.527 21.110 28.799 339 1HE LYS 47 2HE LYS 47 -12.834 20.863 30.692 340 2HE LYS 47 3HE LYS 47 -11.839 19.567 31.333 341 1HZ LYS 47 1HZ LYS 47 -11.296 21.206 32.756 342 2HZ LYS 47 2HZ LYS 47 -10.125 21.482 31.641 343 3HZ LYS 47 3HZ LYS 47 -11.464 22.440 31.672 344 HA PRO 48 HA PRO 48 -12.747 15.207 33.155 345 1HB PRO 48 2HB PRO 48 -11.363 15.834 35.474 346 2HB PRO 48 3HB PRO 48 -11.166 14.339 34.526 347 1HG PRO 48 2HG PRO 48 -9.329 16.667 34.698 348 2HG PRO 48 3HG PRO 48 -8.993 14.978 34.235 349 1HD PRO 48 2HD PRO 48 -9.370 17.231 32.523 350 2HD PRO 48 3HD PRO 48 -9.132 15.525 32.039 351 H LYS 49 H LYS 49 -13.783 16.278 35.093 352 HA LYS 49 HA LYS 49 -14.214 19.184 34.638 353 1HB LYS 49 2HB LYS 49 -16.523 18.906 35.162 354 2HB LYS 49 3HB LYS 49 -16.124 17.714 33.948 355 1HG LYS 49 2HG LYS 49 -17.273 16.289 35.333 356 2HG LYS 49 3HG LYS 49 -15.718 16.161 36.147 357 1HD LYS 49 2HD LYS 49 -17.195 16.661 37.933 358 2HD LYS 49 3HD LYS 49 -16.473 18.202 37.519 359 1HE LYS 49 2HE LYS 49 -18.601 18.854 37.710 360 2HE LYS 49 3HE LYS 49 -18.493 18.578 35.961 361 1HZ LYS 49 1HZ LYS 49 -19.531 16.439 36.278 362 2HZ LYS 49 2HZ LYS 49 -19.449 16.579 37.918 363 3HZ LYS 49 3HZ LYS 49 -20.471 17.549 37.064 364 H ASN 50 H ASN 50 -14.946 20.253 36.690 365 HA ASN 50 HA ASN 50 -13.165 20.166 38.850 366 1HB ASN 50 2HB ASN 50 -14.742 22.050 38.453 367 2HB ASN 50 3HB ASN 50 -16.117 20.997 38.816 368 1HD2 ASN 50 1HD2 ASN 50 -13.277 22.642 40.283 369 2HD2 ASN 50 2HD2 ASN 50 -13.938 22.365 41.896 Start of MODEL 19 1 1H ASP 1 H1 ASP 1 1.187 -0.867 0.276 2 2H ASP 1 H2 ASP 1 0.520 0.594 -0.098 3 3H ASP 1 H3 ASP 1 1.949 0.515 0.747 4 HA ASP 1 HA ASP 1 1.590 0.589 -2.022 5 1HB ASP 1 2HB ASP 1 4.255 0.005 -0.719 6 2HB ASP 1 3HB ASP 1 3.878 1.039 -2.099 7 H GLU 2 H GLU 2 0.709 -1.350 -2.973 8 HA GLU 2 HA GLU 2 0.757 -3.425 -3.792 9 1HB GLU 2 2HB GLU 2 3.572 -2.726 -3.540 10 2HB GLU 2 3HB GLU 2 3.369 -4.446 -3.243 11 1HG GLU 2 2HG GLU 2 3.782 -4.155 -5.530 12 2HG GLU 2 3HG GLU 2 2.105 -4.680 -5.345 13 H ALA 3 H ALA 3 3.006 -4.097 -1.150 14 HA ALA 3 HA ALA 3 1.736 -6.543 -0.362 15 1HB ALA 3 1HB ALA 3 4.111 -5.774 0.166 16 2HB ALA 3 2HB ALA 3 3.397 -4.743 1.430 17 3HB ALA 3 3HB ALA 3 3.190 -6.505 1.510 18 H GLN 4 H GLN 4 1.600 -3.336 1.195 19 HA GLN 4 HA GLN 4 -0.270 -3.803 3.166 20 1HB GLN 4 2HB GLN 4 0.866 -1.542 1.923 21 2HB GLN 4 3HB GLN 4 -0.861 -1.253 1.781 22 1HG GLN 4 2HG GLN 4 0.289 -2.146 4.443 23 2HG GLN 4 3HG GLN 4 0.612 -0.512 3.875 24 1HE2 GLN 4 1HE2 GLN 4 -0.592 0.282 5.761 25 2HE2 GLN 4 2HE2 GLN 4 -2.365 0.229 5.606 26 H PHE 5 H PHE 5 -0.909 -3.678 -0.242 27 HA PHE 5 HA PHE 5 -3.857 -3.775 0.048 28 1HB PHE 5 2HB PHE 5 -2.551 -2.405 -1.754 29 2HB PHE 5 3HB PHE 5 -2.094 -3.972 -2.438 30 HD1 PHE 5 HD1 PHE 5 -5.064 -2.072 -1.274 31 HD2 PHE 5 HD2 PHE 5 -3.486 -5.071 -3.973 32 HE1 PHE 5 HE1 PHE 5 -7.191 -2.176 -2.439 33 HE2 PHE 5 HE2 PHE 5 -5.678 -5.124 -5.174 34 HZ PHE 5 HZ PHE 5 -7.511 -3.728 -4.377 35 H LYS 6 H LYS 6 -1.086 -5.765 -1.018 36 HA LYS 6 HA LYS 6 -2.532 -8.060 -1.882 37 1HB LYS 6 2HB LYS 6 0.156 -7.350 -1.582 38 2HB LYS 6 3HB LYS 6 -0.002 -8.683 -0.446 39 1HG LYS 6 2HG LYS 6 -0.576 -10.221 -2.148 40 2HG LYS 6 3HG LYS 6 -1.138 -8.959 -3.236 41 1HD LYS 6 2HD LYS 6 0.789 -9.002 -4.299 42 2HD LYS 6 3HD LYS 6 1.570 -8.280 -2.906 43 1HE LYS 6 2HE LYS 6 2.774 -10.142 -2.570 44 2HE LYS 6 3HE LYS 6 1.283 -11.032 -2.264 45 1HZ LYS 6 1HZ LYS 6 2.042 -12.162 -4.079 46 2HZ LYS 6 2HZ LYS 6 1.189 -11.012 -4.874 47 3HZ LYS 6 3HZ LYS 6 2.819 -10.864 -4.748 48 H GLU 7 H GLU 7 -1.800 -6.955 1.331 49 HA GLU 7 HA GLU 7 -2.802 -9.368 2.577 50 1HB GLU 7 2HB GLU 7 -1.182 -7.804 3.706 51 2HB GLU 7 3HB GLU 7 -2.482 -6.601 3.791 52 1HG GLU 7 2HG GLU 7 -3.860 -8.315 5.087 53 2HG GLU 7 3HG GLU 7 -2.444 -9.365 5.093 54 H CYS 8 H CYS 8 -4.190 -6.258 1.575 55 HA CYS 8 HA CYS 8 -6.745 -6.714 2.918 56 1HB CYS 8 2HB CYS 8 -5.544 -4.495 1.840 57 2HB CYS 8 3HB CYS 8 -6.520 -5.022 0.480 58 H TYR 9 H TYR 9 -5.476 -7.130 -0.406 59 HA TYR 9 HA TYR 9 -7.836 -8.169 -1.551 60 1HB TYR 9 2HB TYR 9 -5.574 -7.394 -2.597 61 2HB TYR 9 3HB TYR 9 -4.969 -8.995 -2.229 62 HD1 TYR 9 HD1 TYR 9 -5.996 -11.021 -3.357 63 HD2 TYR 9 HD2 TYR 9 -7.049 -6.963 -4.418 64 HE1 TYR 9 HE1 TYR 9 -6.847 -11.805 -5.536 65 HE2 TYR 9 HE2 TYR 9 -7.920 -7.785 -6.580 66 HH TYR 9 HH TYR 9 -7.530 -9.683 -8.128 67 H ASP 10 H ASP 10 -5.039 -9.948 -0.181 68 HA ASP 10 HA ASP 10 -6.134 -12.562 -0.558 69 1HB ASP 10 2HB ASP 10 -3.710 -11.766 0.136 70 2HB ASP 10 3HB ASP 10 -4.304 -11.862 1.780 71 H THR 11 H THR 11 -6.061 -10.474 2.289 72 HA THR 11 HA THR 11 -7.594 -12.152 4.026 73 HB THR 11 HB THR 11 -7.153 -9.144 4.184 74 HG1 THR 11 1HG THR 11 -5.254 -9.940 4.346 75 1HG2 THR 11 1HG2 THR 11 -7.894 -11.180 6.313 76 2HG2 THR 11 2HG2 THR 11 -7.370 -9.503 6.608 77 3HG2 THR 11 3HG2 THR 11 -8.896 -9.809 5.752 78 H CYS 12 H CYS 12 -8.544 -9.352 1.948 79 HA CYS 12 HA CYS 12 -11.303 -9.353 2.633 80 1HB CYS 12 2HB CYS 12 -10.201 -7.527 1.379 81 2HB CYS 12 3HB CYS 12 -10.019 -8.597 -0.019 82 H HIS 13 H HIS 13 -9.430 -11.122 0.080 83 HA HIS 13 HA HIS 13 -11.568 -12.529 -1.062 84 1HB HIS 13 2HB HIS 13 -8.957 -12.559 -1.588 85 2HB HIS 13 3HB HIS 13 -9.014 -13.972 -0.568 86 HD1 HIS 13 HD1 HIS 13 -9.218 -16.027 -2.046 87 HD2 HIS 13 HD2 HIS 13 -11.130 -12.617 -3.592 88 HE1 HIS 13 HE1 HIS 13 -10.212 -16.736 -4.336 89 HE2 HIS 13 HE2 HIS 13 -11.407 -14.601 -5.273 90 H LYS 14 H LYS 14 -9.857 -13.246 1.916 91 HA LYS 14 HA LYS 14 -11.135 -15.759 2.489 92 1HB LYS 14 2HB LYS 14 -9.416 -13.873 3.941 93 2HB LYS 14 3HB LYS 14 -10.709 -14.439 4.985 94 1HG LYS 14 2HG LYS 14 -9.206 -16.114 5.345 95 2HG LYS 14 3HG LYS 14 -10.051 -16.817 3.969 96 1HD LYS 14 2HD LYS 14 -7.783 -17.034 3.399 97 2HD LYS 14 3HD LYS 14 -8.269 -15.600 2.483 98 1HE LYS 14 2HE LYS 14 -6.949 -14.186 3.673 99 2HE LYS 14 3HE LYS 14 -7.355 -14.943 5.216 100 1HZ LYS 14 1HZ LYS 14 -5.001 -15.206 3.793 101 2HZ LYS 14 2HZ LYS 14 -5.453 -16.114 5.118 102 3HZ LYS 14 3HZ LYS 14 -5.738 -16.626 3.572 103 H GLU 15 H GLU 15 -12.022 -12.640 4.022 104 HA GLU 15 HA GLU 15 -14.623 -13.571 4.853 105 1HB GLU 15 2HB GLU 15 -13.371 -11.603 5.775 106 2HB GLU 15 3HB GLU 15 -13.704 -10.718 4.299 107 1HG GLU 15 2HG GLU 15 -15.940 -12.011 5.922 108 2HG GLU 15 3HG GLU 15 -15.268 -10.477 6.428 109 H CYS 16 H CYS 16 -13.466 -12.519 1.763 110 HA CYS 16 HA CYS 16 -16.018 -11.889 0.697 111 1HB CYS 16 2HB CYS 16 -13.880 -11.103 -0.235 112 2HB CYS 16 3HB CYS 16 -13.561 -12.730 -0.837 113 H SER 17 H SER 17 -13.851 -14.634 -0.073 114 HA SER 17 HA SER 17 -15.752 -16.286 -1.378 115 1HB SER 17 2HB SER 17 -13.018 -16.520 -0.610 116 2HB SER 17 3HB SER 17 -13.850 -17.846 0.172 117 HG SER 17 HG SER 17 -14.878 -18.003 -2.087 118 H ASP 18 H ASP 18 -15.300 -15.662 2.064 119 HA ASP 18 HA ASP 18 -16.696 -17.802 3.281 120 1HB ASP 18 2HB ASP 18 -15.675 -16.231 4.721 121 2HB ASP 18 3HB ASP 18 -16.374 -14.889 3.874 122 H LYS 19 H LYS 19 -17.967 -14.940 1.479 123 HA LYS 19 HA LYS 19 -20.662 -15.406 2.103 124 1HB LYS 19 2HB LYS 19 -19.103 -13.739 0.240 125 2HB LYS 19 3HB LYS 19 -20.491 -14.332 -0.535 126 1HG LYS 19 2HG LYS 19 -21.017 -13.327 2.225 127 2HG LYS 19 3HG LYS 19 -20.153 -12.154 1.241 128 1HD LYS 19 2HD LYS 19 -22.065 -12.882 -0.569 129 2HD LYS 19 3HD LYS 19 -22.904 -13.300 0.934 130 1HE LYS 19 2HE LYS 19 -21.744 -10.773 1.442 131 2HE LYS 19 3HE LYS 19 -22.177 -10.689 -0.270 132 1HZ LYS 19 1HZ LYS 19 -24.419 -11.602 0.535 133 2HZ LYS 19 2HZ LYS 19 -23.924 -11.184 2.044 134 3HZ LYS 19 3HZ LYS 19 -24.101 -10.017 0.893 135 H GLY 20 H GLY 20 -18.627 -17.399 0.454 136 1HA GLY 20 2HA GLY 20 -18.959 -19.441 -0.523 137 2HA GLY 20 3HA GLY 20 -20.712 -19.225 -0.415 138 H ASN 21 H ASN 21 -18.840 -16.724 -1.876 139 HA ASN 21 HA ASN 21 -20.137 -17.158 -4.468 140 1HB ASN 21 2HB ASN 21 -18.808 -14.925 -3.086 141 2HB ASN 21 3HB ASN 21 -18.431 -15.016 -4.788 142 1HD2 ASN 21 1HD2 ASN 21 -20.237 -13.240 -3.036 143 2HD2 ASN 21 2HD2 ASN 21 -21.692 -13.203 -4.075 144 H GLY 22 H GLY 22 -18.635 -16.580 -6.361 145 1HA GLY 22 2HA GLY 22 -16.635 -18.740 -6.567 146 2HA GLY 22 3HA GLY 22 -17.083 -17.604 -7.859 147 H PHE 23 H PHE 23 -14.435 -18.532 -6.834 148 HA PHE 23 HA PHE 23 -13.015 -16.649 -5.400 149 1HB PHE 23 2HB PHE 23 -11.937 -18.073 -7.886 150 2HB PHE 23 3HB PHE 23 -11.055 -17.568 -6.462 151 HD1 PHE 23 HD1 PHE 23 -13.093 -20.125 -8.030 152 HD2 PHE 23 HD2 PHE 23 -11.481 -18.790 -4.254 153 HE1 PHE 23 HE1 PHE 23 -13.501 -22.362 -7.061 154 HE2 PHE 23 HE2 PHE 23 -11.871 -21.030 -3.297 155 HZ PHE 23 HZ PHE 23 -12.872 -22.826 -4.699 156 H THR 24 H THR 24 -13.107 -16.786 -8.983 157 HA THR 24 HA THR 24 -11.818 -14.444 -9.617 158 HB THR 24 HB THR 24 -13.849 -16.171 -10.937 159 HG1 THR 24 1HG THR 24 -11.536 -14.802 -11.827 160 1HG2 THR 24 1HG2 THR 24 -15.011 -14.163 -11.584 161 2HG2 THR 24 2HG2 THR 24 -13.489 -13.296 -11.892 162 3HG2 THR 24 3HG2 THR 24 -14.010 -14.630 -12.945 163 H PHE 25 H PHE 25 -15.389 -14.668 -9.299 164 HA PHE 25 HA PHE 25 -15.949 -11.926 -9.449 165 1HB PHE 25 2HB PHE 25 -17.710 -13.589 -9.457 166 2HB PHE 25 3HB PHE 25 -17.204 -14.218 -7.889 167 HD1 PHE 25 HD1 PHE 25 -17.943 -13.270 -5.833 168 HD2 PHE 25 HD2 PHE 25 -18.683 -11.190 -9.527 169 HE1 PHE 25 HE1 PHE 25 -19.482 -11.736 -4.658 170 HE2 PHE 25 HE2 PHE 25 -20.267 -9.685 -8.360 171 HZ PHE 25 HZ PHE 25 -20.710 -9.991 -5.924 172 H CYS 26 H CYS 26 -15.171 -13.875 -6.489 173 HA CYS 26 HA CYS 26 -15.287 -11.695 -4.750 174 1HB CYS 26 2HB CYS 26 -14.378 -14.508 -4.703 175 2HB CYS 26 3HB CYS 26 -13.395 -13.474 -3.721 176 H GLU 27 H GLU 27 -12.725 -12.796 -6.903 177 HA GLU 27 HA GLU 27 -10.609 -11.186 -5.781 178 1HB GLU 27 2HB GLU 27 -10.987 -13.132 -7.976 179 2HB GLU 27 3HB GLU 27 -10.107 -11.714 -8.509 180 1HG GLU 27 2HG GLU 27 -8.822 -12.191 -6.185 181 2HG GLU 27 3HG GLU 27 -9.366 -13.810 -6.503 182 H MET 28 H MET 28 -12.281 -10.887 -8.920 183 HA MET 28 HA MET 28 -11.500 -8.285 -9.582 184 1HB MET 28 2HB MET 28 -13.511 -10.208 -10.431 185 2HB MET 28 3HB MET 28 -14.289 -8.639 -10.312 186 1HG MET 28 2HG MET 28 -12.840 -7.639 -11.851 187 2HG MET 28 3HG MET 28 -11.659 -8.957 -11.771 188 1HE MET 28 1HE MET 28 -13.426 -7.342 -14.019 189 2HE MET 28 2HE MET 28 -12.282 -8.445 -14.823 190 3HE MET 28 3HE MET 28 -14.020 -8.514 -15.217 191 H LYS 29 H LYS 29 -13.823 -9.298 -7.207 192 HA LYS 29 HA LYS 29 -14.846 -6.576 -6.803 193 1HB LYS 29 2HB LYS 29 -16.192 -8.790 -6.561 194 2HB LYS 29 3HB LYS 29 -15.417 -8.940 -4.995 195 1HG LYS 29 2HG LYS 29 -16.705 -6.303 -5.829 196 2HG LYS 29 3HG LYS 29 -17.737 -7.654 -5.423 197 1HD LYS 29 2HD LYS 29 -15.782 -7.522 -3.315 198 2HD LYS 29 3HD LYS 29 -16.240 -5.854 -3.640 199 1HE LYS 29 2HE LYS 29 -18.386 -7.979 -3.512 200 2HE LYS 29 3HE LYS 29 -17.618 -7.485 -1.994 201 1HZ LYS 29 1HZ LYS 29 -19.604 -6.132 -2.584 202 2HZ LYS 29 2HZ LYS 29 -18.228 -5.251 -2.384 203 3HZ LYS 29 3HZ LYS 29 -18.787 -5.550 -3.901 204 H CYS 30 H CYS 30 -13.118 -8.922 -4.710 205 HA CYS 30 HA CYS 30 -12.353 -7.310 -2.582 206 1HB CYS 30 2HB CYS 30 -10.958 -9.555 -4.028 207 2HB CYS 30 3HB CYS 30 -10.255 -8.771 -2.625 208 H ASP 31 H ASP 31 -11.062 -7.396 -5.863 209 HA ASP 31 HA ASP 31 -8.768 -5.805 -5.529 210 1HB ASP 31 2HB ASP 31 -9.860 -7.152 -7.637 211 2HB ASP 31 3HB ASP 31 -10.524 -5.594 -8.002 212 H THR 32 H THR 32 -11.975 -4.825 -6.719 213 HA THR 32 HA THR 32 -11.421 -1.987 -6.250 214 HB THR 32 HB THR 32 -13.670 -3.598 -7.406 215 HG1 THR 32 1HG THR 32 -12.431 -1.136 -8.045 216 1HG2 THR 32 1HG2 THR 32 -14.048 -0.749 -6.378 217 2HG2 THR 32 2HG2 THR 32 -15.059 -1.503 -7.623 218 3HG2 THR 32 3HG2 THR 32 -15.020 -2.189 -5.983 219 H ASP 33 H ASP 33 -12.579 -4.492 -4.232 220 HA ASP 33 HA ASP 33 -14.263 -3.159 -2.440 221 1HB ASP 33 2HB ASP 33 -13.943 -5.599 -2.418 222 2HB ASP 33 3HB ASP 33 -12.253 -5.378 -1.959 223 H CYS 34 H CYS 34 -10.917 -4.059 -1.723 224 HA CYS 34 HA CYS 34 -10.697 -2.057 0.279 225 1HB CYS 34 2HB CYS 34 -9.324 -4.242 -0.058 226 2HB CYS 34 3HB CYS 34 -8.305 -3.295 -1.111 227 H SER 35 H SER 35 -9.576 -2.223 -3.072 228 HA SER 35 HA SER 35 -9.964 0.213 -3.995 229 1HB SER 35 2HB SER 35 -8.927 1.521 -2.444 230 2HB SER 35 3HB SER 35 -7.598 0.354 -2.218 231 HG SER 35 HG SER 35 -6.564 1.137 -3.852 232 H VAL 36 H VAL 36 -9.966 -0.590 -6.058 233 HA VAL 36 HA VAL 36 -8.108 -2.374 -7.052 234 HB VAL 36 HB VAL 36 -10.362 -1.522 -7.981 235 1HG1 VAL 36 1HG1 VAL 36 -9.115 0.846 -8.434 236 2HG1 VAL 36 2HG1 VAL 36 -8.940 0.086 -10.023 237 3HG1 VAL 36 3HG1 VAL 36 -10.547 0.290 -9.302 238 1HG2 VAL 36 1HG2 VAL 36 -8.888 -2.076 -10.423 239 2HG2 VAL 36 2HG2 VAL 36 -8.352 -3.105 -9.097 240 3HG2 VAL 36 3HG2 VAL 36 -10.054 -3.057 -9.522 241 H LYS 37 H LYS 37 -7.111 -1.416 -9.367 242 HA LYS 37 HA LYS 37 -5.609 1.026 -8.948 243 1HB LYS 37 2HB LYS 37 -4.282 -0.351 -7.506 244 2HB LYS 37 3HB LYS 37 -4.232 -1.666 -8.663 245 1HG LYS 37 2HG LYS 37 -2.396 -0.869 -9.636 246 2HG LYS 37 3HG LYS 37 -3.111 0.724 -9.917 247 1HD LYS 37 2HD LYS 37 -2.041 -0.077 -7.191 248 2HD LYS 37 3HD LYS 37 -1.007 0.626 -8.434 249 1HE LYS 37 2HE LYS 37 -3.641 1.983 -7.770 250 2HE LYS 37 3HE LYS 37 -2.295 2.161 -6.647 251 1HZ LYS 37 1HZ LYS 37 -1.403 3.659 -8.015 252 2HZ LYS 37 2HZ LYS 37 -1.322 2.568 -9.235 253 3HZ LYS 37 3HZ LYS 37 -2.656 3.511 -9.081 254 H ASP 38 H ASP 38 -5.605 1.954 -10.849 255 HA ASP 38 HA ASP 38 -5.036 0.346 -13.273 256 1HB ASP 38 2HB ASP 38 -7.610 1.075 -12.721 257 2HB ASP 38 3HB ASP 38 -7.044 2.559 -13.477 258 H VAL 39 H VAL 39 -3.504 1.309 -14.441 259 HA VAL 39 HA VAL 39 -3.183 4.219 -14.540 260 HB VAL 39 HB VAL 39 -1.031 2.423 -13.355 261 1HG1 VAL 39 1HG1 VAL 39 0.268 3.782 -14.753 262 2HG1 VAL 39 2HG1 VAL 39 -0.814 5.181 -14.593 263 3HG1 VAL 39 3HG1 VAL 39 0.266 4.714 -13.261 264 1HG2 VAL 39 1HG2 VAL 39 -2.432 3.170 -11.613 265 2HG2 VAL 39 2HG2 VAL 39 -1.055 4.283 -11.562 266 3HG2 VAL 39 3HG2 VAL 39 -2.585 4.800 -12.307 267 H LYS 40 H LYS 40 -3.985 3.518 -16.641 268 HA LYS 40 HA LYS 40 -2.739 1.838 -18.450 269 1HB LYS 40 2HB LYS 40 -4.147 4.506 -18.856 270 2HB LYS 40 3HB LYS 40 -3.516 3.585 -20.214 271 1HG LYS 40 2HG LYS 40 -5.013 1.742 -18.556 272 2HG LYS 40 3HG LYS 40 -5.982 3.212 -18.761 273 1HD LYS 40 2HD LYS 40 -5.491 3.064 -21.254 274 2HD LYS 40 3HD LYS 40 -4.749 1.483 -20.950 275 1HE LYS 40 2HE LYS 40 -6.737 0.452 -20.814 276 2HE LYS 40 3HE LYS 40 -7.346 1.621 -19.640 277 1HZ LYS 40 1HZ LYS 40 -8.562 1.566 -21.822 278 2HZ LYS 40 2HZ LYS 40 -8.025 3.055 -21.375 279 3HZ LYS 40 3HZ LYS 40 -7.222 2.208 -22.535 280 H GLU 41 H GLU 41 -2.127 5.302 -19.005 281 HA GLU 41 HA GLU 41 0.695 4.945 -18.607 282 1HB GLU 41 2HB GLU 41 -0.262 4.236 -21.182 283 2HB GLU 41 3HB GLU 41 0.287 5.900 -21.364 284 1HG GLU 41 2HG GLU 41 2.421 5.059 -20.043 285 2HG GLU 41 3HG GLU 41 1.824 3.441 -20.434 286 H LYS 42 H LYS 42 1.832 6.959 -18.899 287 HA LYS 42 HA LYS 42 0.058 9.321 -18.393 288 1HB LYS 42 2HB LYS 42 1.831 8.679 -16.685 289 2HB LYS 42 3HB LYS 42 3.030 8.990 -17.943 290 1HG LYS 42 2HG LYS 42 1.504 11.317 -18.043 291 2HG LYS 42 3HG LYS 42 1.319 10.896 -16.356 292 1HD LYS 42 2HD LYS 42 3.504 11.419 -15.857 293 2HD LYS 42 3HD LYS 42 4.132 10.696 -17.335 294 1HE LYS 42 2HE LYS 42 4.497 12.735 -18.125 295 2HE LYS 42 3HE LYS 42 2.773 12.821 -18.418 296 1HZ LYS 42 1HZ LYS 42 3.147 13.525 -15.768 297 2HZ LYS 42 2HZ LYS 42 4.285 14.348 -16.651 298 3HZ LYS 42 3HZ LYS 42 2.730 14.506 -17.064 299 H LEU 43 H LEU 43 -0.309 8.793 -20.791 300 HA LEU 43 HA LEU 43 1.443 9.381 -22.839 301 1HB LEU 43 2HB LEU 43 -0.359 9.715 -24.227 302 2HB LEU 43 3HB LEU 43 -1.069 8.715 -22.972 303 HG LEU 43 HG LEU 43 -1.353 11.765 -23.194 304 1HD1 LEU 43 1HD1 LEU 43 -3.510 11.453 -24.017 305 2HD1 LEU 43 2HD1 LEU 43 -2.444 10.443 -25.000 306 3HD1 LEU 43 3HD1 LEU 43 -3.460 9.689 -23.742 307 1HD2 LEU 43 1HD2 LEU 43 -3.234 11.388 -21.523 308 2HD2 LEU 43 2HD2 LEU 43 -2.615 9.727 -21.298 309 3HD2 LEU 43 3HD2 LEU 43 -1.638 11.123 -20.850 310 H GLU 44 H GLU 44 2.311 11.242 -23.782 311 HA GLU 44 HA GLU 44 1.448 13.875 -23.169 312 1HB GLU 44 2HB GLU 44 2.743 12.963 -20.938 313 2HB GLU 44 3HB GLU 44 4.148 13.311 -21.913 314 1HG GLU 44 2HG GLU 44 3.976 15.481 -21.361 315 2HG GLU 44 3HG GLU 44 2.452 15.593 -22.211 316 H ASN 45 H ASN 45 2.793 15.365 -24.286 317 HA ASN 45 HA ASN 45 4.059 16.096 -26.070 318 1HB ASN 45 2HB ASN 45 5.824 13.928 -24.936 319 2HB ASN 45 3HB ASN 45 6.171 14.465 -26.562 320 1HD2 ASN 45 1HD2 ASN 45 5.606 15.647 -23.261 321 2HD2 ASN 45 2HD2 ASN 45 6.709 17.020 -23.455 322 H TYR 46 H TYR 46 4.234 15.900 -28.300 323 HA TYR 46 HA TYR 46 3.749 13.394 -29.658 324 1HB TYR 46 2HB TYR 46 1.504 13.739 -30.385 325 2HB TYR 46 3HB TYR 46 1.471 13.740 -28.650 326 HD1 TYR 46 HD1 TYR 46 1.855 16.312 -27.578 327 HD2 TYR 46 HD2 TYR 46 0.219 15.322 -31.452 328 HE1 TYR 46 HE1 TYR 46 0.832 18.552 -27.712 329 HE2 TYR 46 HE2 TYR 46 -0.869 17.563 -31.539 330 HH TYR 46 HH TYR 46 -1.400 19.414 -28.986 331 H LYS 47 H LYS 47 5.227 13.875 -31.186 332 HA LYS 47 HA LYS 47 4.463 15.739 -33.229 333 1HB LYS 47 2HB LYS 47 5.443 17.330 -31.416 334 2HB LYS 47 3HB LYS 47 6.986 16.616 -31.789 335 1HG LYS 47 2HG LYS 47 5.885 17.230 -34.332 336 2HG LYS 47 3HG LYS 47 5.250 18.519 -33.298 337 1HD LYS 47 2HD LYS 47 7.467 19.167 -32.605 338 2HD LYS 47 3HD LYS 47 8.175 17.702 -33.318 339 1HE LYS 47 2HE LYS 47 6.655 19.090 -35.357 340 2HE LYS 47 3HE LYS 47 7.707 20.261 -34.551 341 1HZ LYS 47 1HZ LYS 47 9.275 19.408 -35.907 342 2HZ LYS 47 2HZ LYS 47 9.304 18.112 -34.880 343 3HZ LYS 47 3HZ LYS 47 8.403 18.043 -36.251 344 HA PRO 48 HA PRO 48 7.274 12.237 -34.320 345 1HB PRO 48 2HB PRO 48 5.646 11.168 -36.310 346 2HB PRO 48 3HB PRO 48 5.674 10.665 -34.598 347 1HG PRO 48 2HG PRO 48 3.609 12.249 -36.020 348 2HG PRO 48 3HG PRO 48 3.491 11.323 -34.497 349 1HD PRO 48 2HD PRO 48 3.794 14.153 -34.821 350 2HD PRO 48 3HD PRO 48 3.761 13.224 -33.294 351 H LYS 49 H LYS 49 8.793 12.516 -35.813 352 HA LYS 49 HA LYS 49 8.940 14.853 -37.461 353 1HB LYS 49 2HB LYS 49 10.817 13.131 -36.620 354 2HB LYS 49 3HB LYS 49 10.477 12.332 -38.161 355 1HG LYS 49 2HG LYS 49 10.963 14.472 -39.355 356 2HG LYS 49 3HG LYS 49 11.252 15.267 -37.792 357 1HD LYS 49 2HD LYS 49 13.130 13.675 -37.365 358 2HD LYS 49 3HD LYS 49 12.819 12.922 -38.937 359 1HE LYS 49 2HE LYS 49 14.255 14.384 -39.832 360 2HE LYS 49 3HE LYS 49 12.992 15.593 -39.643 361 1HZ LYS 49 1HZ LYS 49 15.477 15.569 -38.422 362 2HZ LYS 49 2HZ LYS 49 14.256 16.619 -38.099 363 3HZ LYS 49 3HZ LYS 49 14.425 15.239 -37.212 364 H ASN 50 H ASN 50 9.060 14.908 -39.836 365 HA ASN 50 HA ASN 50 6.640 13.978 -41.103 366 1HB ASN 50 2HB ASN 50 7.848 15.985 -41.906 367 2HB ASN 50 3HB ASN 50 9.289 14.986 -42.230 368 1HD2 ASN 50 1HD2 ASN 50 9.048 16.089 -44.434 369 2HD2 ASN 50 2HD2 ASN 50 7.949 15.149 -45.471 Start of MODEL 20 1 1H ASP 1 H1 ASP 1 1.858 -0.486 0.678 2 2H ASP 1 H2 ASP 1 0.413 -0.446 -0.138 3 3H ASP 1 H3 ASP 1 1.135 0.962 0.308 4 HA ASP 1 HA ASP 1 1.509 -0.473 -2.060 5 1HB ASP 1 2HB ASP 1 2.830 1.997 -0.863 6 2HB ASP 1 3HB ASP 1 3.132 1.459 -2.528 7 H GLU 2 H GLU 2 3.998 -0.321 -2.923 8 HA GLU 2 HA GLU 2 5.795 -1.678 -0.967 9 1HB GLU 2 2HB GLU 2 6.459 -2.917 -3.231 10 2HB GLU 2 3HB GLU 2 5.241 -3.556 -2.129 11 1HG GLU 2 2HG GLU 2 3.425 -2.789 -3.493 12 2HG GLU 2 3HG GLU 2 4.470 -1.759 -4.480 13 H ALA 3 H ALA 3 7.566 -0.558 -0.849 14 HA ALA 3 HA ALA 3 9.317 0.189 -2.879 15 1HB ALA 3 1HB ALA 3 7.915 1.824 -3.866 16 2HB ALA 3 2HB ALA 3 7.234 2.334 -2.295 17 3HB ALA 3 3HB ALA 3 8.892 2.807 -2.788 18 H GLN 4 H GLN 4 8.627 2.825 -0.726 19 HA GLN 4 HA GLN 4 11.055 2.789 0.564 20 1HB GLN 4 2HB GLN 4 8.589 4.265 0.806 21 2HB GLN 4 3HB GLN 4 8.951 3.686 2.417 22 1HG GLN 4 2HG GLN 4 11.462 4.628 1.480 23 2HG GLN 4 3HG GLN 4 10.282 5.752 0.802 24 1HE2 GLN 4 1HE2 GLN 4 9.248 7.187 2.197 25 2HE2 GLN 4 2HE2 GLN 4 9.639 7.203 3.944 26 H PHE 5 H PHE 5 8.371 0.793 1.194 27 HA PHE 5 HA PHE 5 9.384 -0.287 3.755 28 1HB PHE 5 2HB PHE 5 6.912 0.128 3.140 29 2HB PHE 5 3HB PHE 5 7.064 -1.202 1.997 30 HD1 PHE 5 HD1 PHE 5 6.381 -0.292 5.382 31 HD2 PHE 5 HD2 PHE 5 7.905 -3.549 2.953 32 HE1 PHE 5 HE1 PHE 5 5.849 -1.955 7.159 33 HE2 PHE 5 HE2 PHE 5 7.396 -5.126 4.778 34 HZ PHE 5 HZ PHE 5 6.433 -4.309 6.899 35 H LYS 6 H LYS 6 8.959 -1.280 0.363 36 HA LYS 6 HA LYS 6 9.873 -4.003 0.781 37 1HB LYS 6 2HB LYS 6 8.630 -2.698 -1.314 38 2HB LYS 6 3HB LYS 6 10.290 -2.679 -1.904 39 1HG LYS 6 2HG LYS 6 9.089 -5.232 -0.769 40 2HG LYS 6 3HG LYS 6 8.633 -4.717 -2.388 41 1HD LYS 6 2HD LYS 6 10.867 -4.880 -3.221 42 2HD LYS 6 3HD LYS 6 11.574 -4.938 -1.619 43 1HE LYS 6 2HE LYS 6 11.716 -7.133 -2.254 44 2HE LYS 6 3HE LYS 6 10.296 -7.106 -1.203 45 1HZ LYS 6 1HZ LYS 6 9.984 -8.298 -3.381 46 2HZ LYS 6 2HZ LYS 6 8.882 -7.096 -3.124 47 3HZ LYS 6 3HZ LYS 6 10.136 -6.849 -4.147 48 H GLU 7 H GLU 7 11.469 -0.931 0.389 49 HA GLU 7 HA GLU 7 14.077 -2.170 0.003 50 1HB GLU 7 2HB GLU 7 13.028 0.635 0.373 51 2HB GLU 7 3HB GLU 7 14.754 0.313 0.620 52 1HG GLU 7 2HG GLU 7 15.100 -0.430 -1.591 53 2HG GLU 7 3HG GLU 7 13.371 -0.643 -1.895 54 H CYS 8 H CYS 8 12.098 -1.068 2.733 55 HA CYS 8 HA CYS 8 14.383 -1.207 4.592 56 1HB CYS 8 2HB CYS 8 11.927 0.042 4.694 57 2HB CYS 8 3HB CYS 8 11.570 -1.469 5.516 58 H TYR 9 H TYR 9 11.606 -3.254 3.651 59 HA TYR 9 HA TYR 9 12.163 -5.393 5.447 60 1HB TYR 9 2HB TYR 9 10.124 -4.875 3.894 61 2HB TYR 9 3HB TYR 9 11.049 -5.618 2.601 62 HD1 TYR 9 HD1 TYR 9 11.717 -8.081 2.771 63 HD2 TYR 9 HD2 TYR 9 9.037 -6.133 5.592 64 HE1 TYR 9 HE1 TYR 9 10.770 -10.283 3.450 65 HE2 TYR 9 HE2 TYR 9 8.130 -8.356 6.166 66 HH TYR 9 HH TYR 9 7.905 -10.530 5.563 67 H ASP 10 H ASP 10 13.112 -4.982 2.007 68 HA ASP 10 HA ASP 10 14.619 -7.410 1.870 69 1HB ASP 10 2HB ASP 10 13.831 -5.661 -0.005 70 2HB ASP 10 3HB ASP 10 15.402 -4.927 0.283 71 H THR 11 H THR 11 15.652 -4.036 2.378 72 HA THR 11 HA THR 11 18.405 -4.598 2.774 73 HB THR 11 HB THR 11 16.777 -2.239 3.755 74 HG1 THR 11 1HG THR 11 16.801 -1.799 1.752 75 1HG2 THR 11 1HG2 THR 11 19.590 -2.836 4.075 76 2HG2 THR 11 2HG2 THR 11 19.377 -1.439 3.000 77 3HG2 THR 11 3HG2 THR 11 18.642 -1.416 4.614 78 H CYS 12 H CYS 12 15.709 -4.181 5.143 79 HA CYS 12 HA CYS 12 17.236 -4.521 7.505 80 1HB CYS 12 2HB CYS 12 14.909 -3.710 7.507 81 2HB CYS 12 3HB CYS 12 14.338 -5.319 7.001 82 H HIS 13 H HIS 13 15.589 -6.887 5.326 83 HA HIS 13 HA HIS 13 16.219 -9.233 6.729 84 1HB HIS 13 2HB HIS 13 14.912 -8.830 4.434 85 2HB HIS 13 3HB HIS 13 16.478 -9.232 3.771 86 HD1 HIS 13 HD1 HIS 13 17.034 -11.743 3.735 87 HD2 HIS 13 HD2 HIS 13 13.681 -10.698 6.084 88 HE1 HIS 13 HE1 HIS 13 15.933 -13.943 4.437 89 HE2 HIS 13 HE2 HIS 13 13.843 -13.313 5.872 90 H LYS 14 H LYS 14 18.251 -7.346 4.541 91 HA LYS 14 HA LYS 14 20.489 -9.156 4.463 92 1HB LYS 14 2HB LYS 14 19.948 -6.839 3.202 93 2HB LYS 14 3HB LYS 14 20.951 -6.160 4.493 94 1HG LYS 14 2HG LYS 14 22.789 -7.647 3.958 95 2HG LYS 14 3HG LYS 14 21.804 -8.504 2.765 96 1HD LYS 14 2HD LYS 14 21.874 -5.548 2.344 97 2HD LYS 14 3HD LYS 14 23.461 -6.311 2.280 98 1HE LYS 14 2HE LYS 14 21.636 -8.013 0.843 99 2HE LYS 14 3HE LYS 14 21.282 -6.371 0.318 100 1HZ LYS 14 1HZ LYS 14 23.197 -7.766 -0.786 101 2HZ LYS 14 2HZ LYS 14 23.390 -6.147 -0.553 102 3HZ LYS 14 3HZ LYS 14 24.083 -7.215 0.487 103 H GLU 15 H GLU 15 20.348 -6.186 6.494 104 HA GLU 15 HA GLU 15 22.454 -7.042 8.254 105 1HB GLU 15 2HB GLU 15 21.337 -4.668 7.903 106 2HB GLU 15 3HB GLU 15 20.169 -5.258 9.091 107 1HG GLU 15 2HG GLU 15 22.473 -5.904 10.401 108 2HG GLU 15 3HG GLU 15 23.106 -4.625 9.384 109 H CYS 16 H CYS 16 19.123 -7.967 8.076 110 HA CYS 16 HA CYS 16 18.909 -8.926 10.753 111 1HB CYS 16 2HB CYS 16 16.970 -8.347 9.360 112 2HB CYS 16 3HB CYS 16 17.283 -9.767 8.339 113 H SER 17 H SER 17 18.869 -10.801 7.694 114 HA SER 17 HA SER 17 19.533 -13.329 8.756 115 1HB SER 17 2HB SER 17 19.153 -12.240 6.169 116 2HB SER 17 3HB SER 17 20.801 -12.845 6.156 117 HG SER 17 HG SER 17 20.084 -14.846 6.420 118 H ASP 18 H ASP 18 21.614 -10.516 8.182 119 HA ASP 18 HA ASP 18 24.200 -11.655 8.180 120 1HB ASP 18 2HB ASP 18 24.070 -9.318 7.825 121 2HB ASP 18 3HB ASP 18 22.995 -9.104 9.193 122 H LYS 19 H LYS 19 21.871 -11.148 10.884 123 HA LYS 19 HA LYS 19 23.711 -11.799 12.915 124 1HB LYS 19 2HB LYS 19 20.780 -11.343 12.663 125 2HB LYS 19 3HB LYS 19 21.084 -12.649 13.696 126 1HG LYS 19 2HG LYS 19 22.929 -10.363 14.180 127 2HG LYS 19 3HG LYS 19 21.259 -9.833 14.166 128 1HD LYS 19 2HD LYS 19 20.688 -11.037 16.042 129 2HD LYS 19 3HD LYS 19 21.869 -12.338 15.726 130 1HE LYS 19 2HE LYS 19 23.726 -10.920 16.332 131 2HE LYS 19 3HE LYS 19 22.651 -9.540 16.605 132 1HZ LYS 19 1HZ LYS 19 21.584 -10.789 18.368 133 2HZ LYS 19 2HZ LYS 19 22.522 -12.112 18.080 134 3HZ LYS 19 3HZ LYS 19 23.203 -10.735 18.675 135 H GLY 20 H GLY 20 22.616 -13.706 10.472 136 1HA GLY 20 2HA GLY 20 23.161 -15.883 9.944 137 2HA GLY 20 3HA GLY 20 23.794 -16.131 11.591 138 H ASN 21 H ASN 21 20.626 -14.761 11.203 139 HA ASN 21 HA ASN 21 19.407 -17.083 12.522 140 1HB ASN 21 2HB ASN 21 18.753 -14.239 12.143 141 2HB ASN 21 3HB ASN 21 17.369 -15.295 11.977 142 1HD2 ASN 21 1HD2 ASN 21 18.377 -13.388 14.108 143 2HD2 ASN 21 2HD2 ASN 21 18.156 -14.396 15.581 144 H GLY 22 H GLY 22 17.061 -17.429 11.663 145 1HA GLY 22 2HA GLY 22 17.363 -18.593 8.955 146 2HA GLY 22 3HA GLY 22 15.932 -18.749 10.024 147 H PHE 23 H PHE 23 16.163 -18.076 7.182 148 HA PHE 23 HA PHE 23 15.685 -15.394 6.559 149 1HB PHE 23 2HB PHE 23 15.878 -17.535 5.065 150 2HB PHE 23 3HB PHE 23 14.152 -17.732 5.317 151 HD1 PHE 23 HD1 PHE 23 12.720 -15.312 4.882 152 HD2 PHE 23 HD2 PHE 23 16.476 -16.555 3.080 153 HE1 PHE 23 HE1 PHE 23 12.359 -13.778 2.991 154 HE2 PHE 23 HE2 PHE 23 16.045 -14.991 1.194 155 HZ PHE 23 HZ PHE 23 13.981 -13.587 1.194 156 H THR 24 H THR 24 13.149 -17.863 7.113 157 HA THR 24 HA THR 24 10.919 -16.255 7.106 158 HB THR 24 HB THR 24 11.644 -18.869 8.326 159 HG1 THR 24 1HG THR 24 9.444 -17.791 6.938 160 1HG2 THR 24 1HG2 THR 24 10.520 -18.163 10.321 161 2HG2 THR 24 2HG2 THR 24 9.280 -17.274 9.395 162 3HG2 THR 24 3HG2 THR 24 9.328 -19.055 9.394 163 H PHE 25 H PHE 25 12.610 -17.177 10.145 164 HA PHE 25 HA PHE 25 11.279 -15.424 11.856 165 1HB PHE 25 2HB PHE 25 12.858 -17.096 12.645 166 2HB PHE 25 3HB PHE 25 14.165 -16.362 11.710 167 HD1 PHE 25 HD1 PHE 25 15.491 -14.580 12.557 168 HD2 PHE 25 HD2 PHE 25 11.882 -15.733 14.603 169 HE1 PHE 25 HE1 PHE 25 16.119 -13.145 14.486 170 HE2 PHE 25 HE2 PHE 25 12.548 -14.347 16.558 171 HZ PHE 25 HZ PHE 25 14.708 -13.087 16.507 172 H CYS 26 H CYS 26 14.198 -14.711 9.831 173 HA CYS 26 HA CYS 26 14.437 -12.066 10.720 174 1HB CYS 26 2HB CYS 26 15.575 -13.795 8.592 175 2HB CYS 26 3HB CYS 26 15.364 -12.155 8.069 176 H GLU 27 H GLU 27 12.384 -13.562 8.302 177 HA GLU 27 HA GLU 27 11.514 -11.101 7.033 178 1HB GLU 27 2HB GLU 27 11.060 -14.027 6.732 179 2HB GLU 27 3HB GLU 27 9.540 -13.142 6.790 180 1HG GLU 27 2HG GLU 27 11.046 -11.575 5.109 181 2HG GLU 27 3HG GLU 27 11.791 -13.073 4.870 182 H MET 28 H MET 28 9.662 -13.407 9.064 183 HA MET 28 HA MET 28 7.494 -11.736 9.653 184 1HB MET 28 2HB MET 28 8.938 -13.952 11.139 185 2HB MET 28 3HB MET 28 7.703 -13.032 12.003 186 1HG MET 28 2HG MET 28 6.044 -13.546 10.342 187 2HG MET 28 3HG MET 28 7.220 -14.431 9.359 188 1HE MET 28 1HE MET 28 4.488 -15.129 10.333 189 2HE MET 28 2HE MET 28 4.506 -16.766 11.023 190 3HE MET 28 3HE MET 28 4.367 -15.349 12.092 191 H LYS 29 H LYS 29 10.743 -11.550 10.913 192 HA LYS 29 HA LYS 29 10.028 -9.622 13.000 193 1HB LYS 29 2HB LYS 29 12.014 -11.385 13.019 194 2HB LYS 29 3HB LYS 29 12.861 -10.159 12.097 195 1HG LYS 29 2HG LYS 29 13.345 -9.264 14.164 196 2HG LYS 29 3HG LYS 29 11.682 -8.671 14.157 197 1HD LYS 29 2HD LYS 29 11.394 -11.362 15.009 198 2HD LYS 29 3HD LYS 29 12.913 -10.863 15.737 199 1HE LYS 29 2HE LYS 29 10.326 -9.241 15.868 200 2HE LYS 29 3HE LYS 29 10.711 -10.513 17.034 201 1HZ LYS 29 1HZ LYS 29 12.960 -9.070 17.072 202 2HZ LYS 29 2HZ LYS 29 11.892 -7.875 16.742 203 3HZ LYS 29 3HZ LYS 29 11.716 -8.794 18.110 204 H CYS 30 H CYS 30 12.200 -9.435 10.119 205 HA CYS 30 HA CYS 30 12.503 -6.680 9.990 206 1HB CYS 30 2HB CYS 30 12.262 -8.839 7.871 207 2HB CYS 30 3HB CYS 30 12.592 -7.162 7.446 208 H ASP 31 H ASP 31 9.723 -8.663 9.091 209 HA ASP 31 HA ASP 31 8.209 -6.781 7.639 210 1HB ASP 31 2HB ASP 31 7.816 -9.414 8.228 211 2HB ASP 31 3HB ASP 31 6.912 -8.786 9.555 212 H THR 32 H THR 32 7.898 -7.733 11.031 213 HA THR 32 HA THR 32 6.228 -5.420 11.672 214 HB THR 32 HB THR 32 7.419 -7.725 13.177 215 HG1 THR 32 1HG THR 32 5.353 -8.182 13.226 216 1HG2 THR 32 1HG2 THR 32 6.057 -5.423 14.599 217 2HG2 THR 32 2HG2 THR 32 6.714 -6.924 15.329 218 3HG2 THR 32 3HG2 THR 32 7.809 -5.700 14.698 219 H ASP 33 H ASP 33 9.672 -5.970 11.546 220 HA ASP 33 HA ASP 33 10.668 -4.068 13.360 221 1HB ASP 33 2HB ASP 33 12.147 -5.703 12.226 222 2HB ASP 33 3HB ASP 33 11.718 -4.968 10.678 223 H CYS 34 H CYS 34 10.554 -3.651 9.828 224 HA CYS 34 HA CYS 34 10.282 -0.730 10.232 225 1HB CYS 34 2HB CYS 34 11.784 -2.198 8.446 226 2HB CYS 34 3HB CYS 34 10.376 -1.812 7.464 227 H SER 35 H SER 35 8.176 -0.490 10.891 228 HA SER 35 HA SER 35 6.112 -0.733 8.801 229 1HB SER 35 2HB SER 35 6.087 -2.385 11.342 230 2HB SER 35 3HB SER 35 4.568 -1.762 10.646 231 HG SER 35 HG SER 35 6.216 -3.770 9.644 232 H VAL 36 H VAL 36 5.072 1.088 8.772 233 HA VAL 36 HA VAL 36 5.316 2.949 10.912 234 HB VAL 36 HB VAL 36 3.488 3.410 8.590 235 1HG1 VAL 36 1HG1 VAL 36 5.131 5.646 8.952 236 2HG1 VAL 36 2HG1 VAL 36 3.516 5.429 9.619 237 3HG1 VAL 36 3HG1 VAL 36 4.956 5.046 10.594 238 1HG2 VAL 36 1HG2 VAL 36 5.222 2.530 7.317 239 2HG2 VAL 36 2HG2 VAL 36 5.633 4.245 7.331 240 3HG2 VAL 36 3HG2 VAL 36 6.493 3.132 8.411 241 H LYS 37 H LYS 37 2.967 4.217 11.046 242 HA LYS 37 HA LYS 37 1.293 2.215 12.497 243 1HB LYS 37 2HB LYS 37 2.155 4.571 13.432 244 2HB LYS 37 3HB LYS 37 0.754 5.182 12.548 245 1HG LYS 37 2HG LYS 37 -0.095 2.825 14.037 246 2HG LYS 37 3HG LYS 37 0.964 3.736 15.097 247 1HD LYS 37 2HD LYS 37 -0.604 5.785 14.169 248 2HD LYS 37 3HD LYS 37 -1.709 4.439 13.910 249 1HE LYS 37 2HE LYS 37 -2.300 4.896 16.044 250 2HE LYS 37 3HE LYS 37 -0.948 3.809 16.413 251 1HZ LYS 37 1HZ LYS 37 -1.120 6.276 17.392 252 2HZ LYS 37 2HZ LYS 37 0.341 5.574 17.083 253 3HZ LYS 37 3HZ LYS 37 -0.315 6.626 16.008 254 H ASP 38 H ASP 38 -1.170 3.217 12.405 255 HA ASP 38 HA ASP 38 -1.965 2.990 9.528 256 1HB ASP 38 2HB ASP 38 -2.648 1.250 11.514 257 2HB ASP 38 3HB ASP 38 -3.841 2.514 11.838 258 H VAL 39 H VAL 39 -3.963 4.145 9.042 259 HA VAL 39 HA VAL 39 -4.854 6.348 10.734 260 HB VAL 39 HB VAL 39 -3.122 6.823 8.275 261 1HG1 VAL 39 1HG1 VAL 39 -5.306 8.602 9.411 262 2HG1 VAL 39 2HG1 VAL 39 -3.877 9.302 8.589 263 3HG1 VAL 39 3HG1 VAL 39 -4.937 8.212 7.719 264 1HG2 VAL 39 1HG2 VAL 39 -3.105 7.739 11.167 265 2HG2 VAL 39 2HG2 VAL 39 -1.803 6.999 10.204 266 3HG2 VAL 39 3HG2 VAL 39 -2.248 8.675 9.924 267 H LYS 40 H LYS 40 -6.755 5.220 10.568 268 HA LYS 40 HA LYS 40 -8.059 4.212 8.356 269 1HB LYS 40 2HB LYS 40 -9.252 5.829 10.653 270 2HB LYS 40 3HB LYS 40 -10.225 4.871 9.525 271 1HG LYS 40 2HG LYS 40 -9.169 2.805 10.204 272 2HG LYS 40 3HG LYS 40 -7.956 3.642 11.164 273 1HD LYS 40 2HD LYS 40 -9.255 3.481 12.959 274 2HD LYS 40 3HD LYS 40 -10.376 4.611 12.224 275 1HE LYS 40 2HE LYS 40 -11.897 2.975 12.348 276 2HE LYS 40 3HE LYS 40 -11.099 2.306 10.917 277 1HZ LYS 40 1HZ LYS 40 -9.806 0.870 12.300 278 2HZ LYS 40 2HZ LYS 40 -10.267 1.639 13.674 279 3HZ LYS 40 3HZ LYS 40 -11.356 0.729 12.852 280 H GLU 41 H GLU 41 -9.043 4.944 6.585 281 HA GLU 41 HA GLU 41 -8.677 7.802 5.883 282 1HB GLU 41 2HB GLU 41 -9.022 5.211 4.416 283 2HB GLU 41 3HB GLU 41 -9.677 6.626 3.616 284 1HG GLU 41 2HG GLU 41 -6.856 6.568 4.726 285 2HG GLU 41 3HG GLU 41 -7.270 6.104 3.068 286 H LYS 42 H LYS 42 -10.536 7.407 7.886 287 HA LYS 42 HA LYS 42 -12.827 8.597 6.637 288 1HB LYS 42 2HB LYS 42 -13.028 5.839 6.794 289 2HB LYS 42 3HB LYS 42 -13.629 6.268 8.382 290 1HG LYS 42 2HG LYS 42 -14.844 8.072 6.435 291 2HG LYS 42 3HG LYS 42 -14.894 6.463 5.743 292 1HD LYS 42 2HD LYS 42 -16.317 5.649 7.341 293 2HD LYS 42 3HD LYS 42 -15.755 6.738 8.629 294 1HE LYS 42 2HE LYS 42 -17.054 8.508 7.998 295 2HE LYS 42 3HE LYS 42 -17.062 8.052 6.295 296 1HZ LYS 42 1HZ LYS 42 -19.178 7.490 6.967 297 2HZ LYS 42 2HZ LYS 42 -18.416 6.047 7.186 298 3HZ LYS 42 3HZ LYS 42 -18.720 7.020 8.480 299 H LEU 43 H LEU 43 -14.616 8.729 8.658 300 HA LEU 43 HA LEU 43 -13.492 9.124 11.202 301 1HB LEU 43 2HB LEU 43 -12.427 11.089 10.704 302 2HB LEU 43 3HB LEU 43 -13.334 11.350 9.231 303 HG LEU 43 HG LEU 43 -15.271 12.104 10.642 304 1HD1 LEU 43 1HD1 LEU 43 -15.034 11.995 12.972 305 2HD1 LEU 43 2HD1 LEU 43 -13.399 11.383 12.800 306 3HD1 LEU 43 3HD1 LEU 43 -13.717 13.132 12.875 307 1HD2 LEU 43 1HD2 LEU 43 -14.404 14.348 10.914 308 2HD2 LEU 43 2HD2 LEU 43 -12.760 13.731 10.553 309 3HD2 LEU 43 3HD2 LEU 43 -14.068 13.614 9.341 310 H GLU 44 H GLU 44 -15.091 9.904 12.708 311 HA GLU 44 HA GLU 44 -17.808 9.095 11.964 312 1HB GLU 44 2HB GLU 44 -16.610 10.098 14.583 313 2HB GLU 44 3HB GLU 44 -18.274 9.567 14.362 314 1HG GLU 44 2HG GLU 44 -17.369 7.571 15.085 315 2HG GLU 44 3HG GLU 44 -17.253 7.386 13.345 316 H ASN 45 H ASN 45 -19.645 10.442 12.791 317 HA ASN 45 HA ASN 45 -19.262 13.277 11.866 318 1HB ASN 45 2HB ASN 45 -21.464 13.263 11.094 319 2HB ASN 45 3HB ASN 45 -20.816 11.713 10.540 320 1HD2 ASN 45 1HD2 ASN 45 -23.302 13.252 12.306 321 2HD2 ASN 45 2HD2 ASN 45 -23.931 11.770 13.061 322 H TYR 46 H TYR 46 -21.351 14.495 12.847 323 HA TYR 46 HA TYR 46 -21.634 13.952 15.725 324 1HB TYR 46 2HB TYR 46 -20.921 16.233 16.231 325 2HB TYR 46 3HB TYR 46 -19.617 15.352 15.444 326 HD1 TYR 46 HD1 TYR 46 -21.378 18.410 15.472 327 HD2 TYR 46 HD2 TYR 46 -19.472 15.662 12.727 328 HE1 TYR 46 HE1 TYR 46 -21.199 20.204 13.739 329 HE2 TYR 46 HE2 TYR 46 -19.386 17.416 11.015 330 HH TYR 46 HH TYR 46 -19.593 20.600 11.678 331 H LYS 47 H LYS 47 -23.474 14.824 16.577 332 HA LYS 47 HA LYS 47 -25.287 16.298 14.722 333 1HB LYS 47 2HB LYS 47 -25.677 13.648 15.563 334 2HB LYS 47 3HB LYS 47 -26.793 14.586 16.555 335 1HG LYS 47 2HG LYS 47 -26.525 15.025 13.544 336 2HG LYS 47 3HG LYS 47 -27.600 13.806 14.212 337 1HD LYS 47 2HD LYS 47 -27.787 16.631 15.317 338 2HD LYS 47 3HD LYS 47 -28.438 16.320 13.719 339 1HE LYS 47 2HE LYS 47 -29.158 14.255 15.736 340 2HE LYS 47 3HE LYS 47 -29.733 15.873 16.155 341 1HZ LYS 47 1HZ LYS 47 -31.342 14.682 14.759 342 2HZ LYS 47 2HZ LYS 47 -30.773 16.021 13.989 343 3HZ LYS 47 3HZ LYS 47 -30.227 14.537 13.554 344 HA PRO 48 HA PRO 48 -24.729 18.779 18.459 345 1HB PRO 48 2HB PRO 48 -24.825 21.242 17.131 346 2HB PRO 48 3HB PRO 48 -23.351 20.286 17.477 347 1HG PRO 48 2HG PRO 48 -24.755 20.676 14.885 348 2HG PRO 48 3HG PRO 48 -23.067 20.178 15.212 349 1HD PRO 48 2HD PRO 48 -25.290 18.524 14.496 350 2HD PRO 48 3HD PRO 48 -23.639 17.999 14.917 351 H LYS 49 H LYS 49 -26.209 19.962 19.587 352 HA LYS 49 HA LYS 49 -28.968 19.481 18.933 353 1HB LYS 49 2HB LYS 49 -27.954 19.659 21.283 354 2HB LYS 49 3HB LYS 49 -27.909 21.396 21.081 355 1HG LYS 49 2HG LYS 49 -30.534 20.050 20.413 356 2HG LYS 49 3HG LYS 49 -30.040 19.942 22.087 357 1HD LYS 49 2HD LYS 49 -29.679 22.681 21.061 358 2HD LYS 49 3HD LYS 49 -31.319 22.130 20.786 359 1HE LYS 49 2HE LYS 49 -31.835 22.048 23.001 360 2HE LYS 49 3HE LYS 49 -30.239 21.461 23.485 361 1HZ LYS 49 1HZ LYS 49 -30.408 24.201 22.514 362 2HZ LYS 49 2HZ LYS 49 -30.969 23.909 24.029 363 3HZ LYS 49 3HZ LYS 49 -29.406 23.562 23.640 364 H ASN 50 H ASN 50 -27.487 22.670 19.478 365 HA ASN 50 HA ASN 50 -29.289 23.851 17.427 366 1HB ASN 50 2HB ASN 50 -28.744 24.661 20.098 367 2HB ASN 50 3HB ASN 50 -27.776 25.743 19.131 368 1HD2 ASN 50 1HD2 ASN 50 -30.692 25.393 20.483 369 2HD2 ASN 50 2HD2 ASN 50 -31.595 26.478 19.371 Start of MODEL 21 1 1H ASP 1 H1 ASP 1 1.767 -0.398 0.704 2 2H ASP 1 H2 ASP 1 0.362 -0.325 -0.127 3 3H ASP 1 H3 ASP 1 1.129 1.051 0.361 4 HA ASP 1 HA ASP 1 1.464 -0.250 -2.099 5 1HB ASP 1 2HB ASP 1 2.954 2.050 -0.797 6 2HB ASP 1 3HB ASP 1 3.297 1.464 -2.437 7 H GLU 2 H GLU 2 4.118 0.532 0.061 8 HA GLU 2 HA GLU 2 6.063 -0.419 0.629 9 1HB GLU 2 2HB GLU 2 5.214 -3.190 0.078 10 2HB GLU 2 3HB GLU 2 6.114 -2.515 1.415 11 1HG GLU 2 2HG GLU 2 3.115 -2.618 0.949 12 2HG GLU 2 3HG GLU 2 4.031 -3.279 2.305 13 H ALA 3 H ALA 3 7.771 -0.073 -0.682 14 HA ALA 3 HA ALA 3 8.672 -1.791 -2.755 15 1HB ALA 3 1HB ALA 3 8.196 -0.104 -4.746 16 2HB ALA 3 2HB ALA 3 6.964 -1.267 -4.269 17 3HB ALA 3 3HB ALA 3 6.827 0.414 -3.731 18 H GLN 4 H GLN 4 8.797 1.565 -3.590 19 HA GLN 4 HA GLN 4 11.554 1.941 -3.420 20 1HB GLN 4 2HB GLN 4 9.227 3.904 -3.180 21 2HB GLN 4 3HB GLN 4 10.916 4.422 -3.187 22 1HG GLN 4 2HG GLN 4 11.094 2.984 -5.392 23 2HG GLN 4 3HG GLN 4 9.331 3.170 -5.437 24 1HE2 GLN 4 1HE2 GLN 4 8.503 5.595 -5.402 25 2HE2 GLN 4 2HE2 GLN 4 9.727 6.717 -6.050 26 H PHE 5 H PHE 5 9.259 2.147 -0.904 27 HA PHE 5 HA PHE 5 11.136 3.075 1.184 28 1HB PHE 5 2HB PHE 5 8.601 3.552 1.120 29 2HB PHE 5 3HB PHE 5 8.349 1.851 1.499 30 HD1 PHE 5 HD1 PHE 5 8.795 5.110 2.809 31 HD2 PHE 5 HD2 PHE 5 9.681 0.961 3.749 32 HE1 PHE 5 HE1 PHE 5 8.923 5.629 5.212 33 HE2 PHE 5 HE2 PHE 5 9.954 1.571 6.105 34 HZ PHE 5 HZ PHE 5 9.660 3.912 6.840 35 H LYS 6 H LYS 6 9.547 0.041 0.352 36 HA LYS 6 HA LYS 6 10.687 -1.471 2.566 37 1HB LYS 6 2HB LYS 6 8.756 -2.031 0.621 38 2HB LYS 6 3HB LYS 6 10.144 -2.988 0.075 39 1HG LYS 6 2HG LYS 6 10.293 -3.907 2.468 40 2HG LYS 6 3HG LYS 6 8.777 -3.029 2.793 41 1HD LYS 6 2HD LYS 6 7.704 -4.272 0.903 42 2HD LYS 6 3HD LYS 6 9.180 -5.233 0.711 43 1HE LYS 6 2HE LYS 6 7.908 -5.004 3.450 44 2HE LYS 6 3HE LYS 6 7.085 -5.986 2.233 45 1HZ LYS 6 1HZ LYS 6 9.287 -7.167 1.948 46 2HZ LYS 6 2HZ LYS 6 9.823 -6.400 3.293 47 3HZ LYS 6 3HZ LYS 6 8.557 -7.429 3.401 48 H GLU 7 H GLU 7 11.840 -0.612 -0.582 49 HA GLU 7 HA GLU 7 14.277 -2.201 -0.376 50 1HB GLU 7 2HB GLU 7 13.130 -0.255 -2.356 51 2HB GLU 7 3HB GLU 7 14.891 -0.269 -2.219 52 1HG GLU 7 2HG GLU 7 14.984 -2.668 -2.593 53 2HG GLU 7 3HG GLU 7 13.217 -2.763 -2.681 54 H CYS 8 H CYS 8 13.364 1.107 0.482 55 HA CYS 8 HA CYS 8 16.130 1.878 1.073 56 1HB CYS 8 2HB CYS 8 13.863 3.369 0.702 57 2HB CYS 8 3HB CYS 8 13.802 3.145 2.441 58 H TYR 9 H TYR 9 13.327 0.764 2.966 59 HA TYR 9 HA TYR 9 14.618 0.682 5.488 60 1HB TYR 9 2HB TYR 9 12.134 0.365 4.833 61 2HB TYR 9 3HB TYR 9 12.505 -1.310 4.522 62 HD1 TYR 9 HD1 TYR 9 13.325 -2.798 6.472 63 HD2 TYR 9 HD2 TYR 9 11.936 1.278 7.003 64 HE1 TYR 9 HE1 TYR 9 12.770 -3.281 8.831 65 HE2 TYR 9 HE2 TYR 9 11.243 0.689 9.308 66 HH TYR 9 HH TYR 9 11.892 -0.579 11.005 67 H ASP 10 H ASP 10 14.212 -2.047 3.207 68 HA ASP 10 HA ASP 10 15.724 -3.931 4.734 69 1HB ASP 10 2HB ASP 10 14.150 -4.206 2.631 70 2HB ASP 10 3HB ASP 10 15.604 -3.966 1.682 71 H THR 11 H THR 11 16.708 -1.963 1.955 72 HA THR 11 HA THR 11 19.485 -2.670 1.989 73 HB THR 11 HB THR 11 18.194 -0.175 0.823 74 HG1 THR 11 1HG THR 11 17.602 -1.400 -0.657 75 1HG2 THR 11 1HG2 THR 11 20.933 -1.386 0.337 76 2HG2 THR 11 2HG2 THR 11 20.132 -0.247 -0.769 77 3HG2 THR 11 3HG2 THR 11 20.536 0.270 0.875 78 H CYS 12 H CYS 12 17.771 0.161 3.475 79 HA CYS 12 HA CYS 12 20.133 1.331 4.635 80 1HB CYS 12 2HB CYS 12 17.911 2.488 4.528 81 2HB CYS 12 3HB CYS 12 17.315 1.366 5.751 82 H HIS 13 H HIS 13 17.840 -1.216 5.810 83 HA HIS 13 HA HIS 13 19.063 -1.704 8.305 84 1HB HIS 13 2HB HIS 13 16.915 -2.795 7.169 85 2HB HIS 13 3HB HIS 13 18.063 -4.015 6.699 86 HD1 HIS 13 HD1 HIS 13 18.855 -5.617 8.645 87 HD2 HIS 13 HD2 HIS 13 16.543 -2.289 9.785 88 HE1 HIS 13 HE1 HIS 13 18.230 -5.995 11.120 89 HE2 HIS 13 HE2 HIS 13 16.736 -3.978 11.806 90 H LYS 14 H LYS 14 20.036 -2.851 5.160 91 HA LYS 14 HA LYS 14 22.177 -4.601 5.979 92 1HB LYS 14 2HB LYS 14 21.243 -4.397 3.608 93 2HB LYS 14 3HB LYS 14 22.194 -2.906 3.477 94 1HG LYS 14 2HG LYS 14 24.228 -4.350 4.202 95 2HG LYS 14 3HG LYS 14 23.194 -5.731 3.823 96 1HD LYS 14 2HD LYS 14 22.907 -3.939 1.602 97 2HD LYS 14 3HD LYS 14 24.600 -3.783 2.111 98 1HE LYS 14 2HE LYS 14 24.531 -6.397 2.210 99 2HE LYS 14 3HE LYS 14 23.063 -6.246 1.223 100 1HZ LYS 14 1HZ LYS 14 25.307 -4.672 0.311 101 2HZ LYS 14 2HZ LYS 14 25.602 -6.287 0.254 102 3HZ LYS 14 3HZ LYS 14 24.326 -5.651 -0.575 103 H GLU 15 H GLU 15 22.647 -1.248 4.746 104 HA GLU 15 HA GLU 15 25.315 -0.932 5.869 105 1HB GLU 15 2HB GLU 15 24.041 0.384 3.957 106 2HB GLU 15 3HB GLU 15 23.441 1.360 5.309 107 1HG GLU 15 2HG GLU 15 25.885 1.713 5.987 108 2HG GLU 15 3HG GLU 15 26.346 0.812 4.537 109 H CYS 16 H CYS 16 22.185 -0.560 7.315 110 HA CYS 16 HA CYS 16 23.080 0.842 9.612 111 1HB CYS 16 2HB CYS 16 20.758 0.720 8.905 112 2HB CYS 16 3HB CYS 16 20.678 -0.969 9.387 113 H SER 17 H SER 17 22.086 -2.577 9.336 114 HA SER 17 HA SER 17 23.154 -3.503 11.870 115 1HB SER 17 2HB SER 17 21.680 -4.633 9.741 116 2HB SER 17 3HB SER 17 23.180 -5.530 9.765 117 HG SER 17 HG SER 17 22.777 -6.140 11.824 118 H ASP 18 H ASP 18 24.735 -2.939 8.755 119 HA ASP 18 HA ASP 18 27.279 -4.196 9.043 120 1HB ASP 18 2HB ASP 18 26.754 -3.140 6.993 121 2HB ASP 18 3HB ASP 18 26.298 -1.649 7.799 122 H LYS 19 H LYS 19 26.081 -1.116 10.575 123 HA LYS 19 HA LYS 19 28.523 -0.499 11.809 124 1HB LYS 19 2HB LYS 19 25.709 0.343 11.943 125 2HB LYS 19 3HB LYS 19 26.382 0.315 13.518 126 1HG LYS 19 2HG LYS 19 28.145 1.546 11.444 127 2HG LYS 19 3HG LYS 19 26.549 2.264 11.480 128 1HD LYS 19 2HD LYS 19 27.692 1.939 14.201 129 2HD LYS 19 3HD LYS 19 28.712 2.890 13.101 130 1HE LYS 19 2HE LYS 19 26.547 4.145 12.446 131 2HE LYS 19 3HE LYS 19 25.803 3.371 13.853 132 1HZ LYS 19 1HZ LYS 19 28.040 4.301 14.925 133 2HZ LYS 19 2HZ LYS 19 27.903 5.403 13.728 134 3HZ LYS 19 3HZ LYS 19 26.692 5.253 14.847 135 H GLY 20 H GLY 20 26.825 -3.253 12.313 136 1HA GLY 20 2HA GLY 20 27.071 -4.998 13.729 137 2HA GLY 20 3HA GLY 20 28.277 -4.105 14.670 138 H ASN 21 H ASN 21 25.170 -2.749 14.098 139 HA ASN 21 HA ASN 21 24.514 -2.716 16.968 140 1HB ASN 21 2HB ASN 21 23.687 -1.178 14.595 141 2HB ASN 21 3HB ASN 21 22.389 -1.512 15.706 142 1HD2 ASN 21 1HD2 ASN 21 24.207 0.973 15.052 143 2HD2 ASN 21 2HD2 ASN 21 24.445 1.496 16.755 144 H GLY 22 H GLY 22 22.177 -2.995 17.449 145 1HA GLY 22 2HA GLY 22 21.411 -5.802 16.891 146 2HA GLY 22 3HA GLY 22 20.518 -4.691 17.937 147 H PHE 23 H PHE 23 19.687 -6.502 15.779 148 HA PHE 23 HA PHE 23 18.791 -5.304 13.412 149 1HB PHE 23 2HB PHE 23 18.518 -7.754 14.236 150 2HB PHE 23 3HB PHE 23 17.051 -7.238 15.040 151 HD1 PHE 23 HD1 PHE 23 15.305 -5.790 13.244 152 HD2 PHE 23 HD2 PHE 23 18.270 -8.811 12.241 153 HE1 PHE 23 HE1 PHE 23 14.205 -6.205 11.086 154 HE2 PHE 23 HE2 PHE 23 17.120 -9.181 10.092 155 HZ PHE 23 HZ PHE 23 15.112 -7.824 9.492 156 H THR 24 H THR 24 16.748 -5.561 16.329 157 HA THR 24 HA THR 24 14.590 -3.963 15.637 158 HB THR 24 HB THR 24 15.897 -4.736 18.212 159 HG1 THR 24 1HG THR 24 13.638 -5.370 18.497 160 1HG2 THR 24 1HG2 THR 24 15.450 -2.623 19.050 161 2HG2 THR 24 2HG2 THR 24 13.935 -2.418 18.152 162 3HG2 THR 24 3HG2 THR 24 14.033 -3.537 19.532 163 H PHE 25 H PHE 25 17.456 -2.765 17.423 164 HA PHE 25 HA PHE 25 16.791 0.008 17.377 165 1HB PHE 25 2HB PHE 25 18.603 -0.814 18.744 166 2HB PHE 25 3HB PHE 25 19.454 -1.461 17.342 167 HD1 PHE 25 HD1 PHE 25 20.808 -0.073 15.895 168 HD2 PHE 25 HD2 PHE 25 18.347 1.746 18.952 169 HE1 PHE 25 HE1 PHE 25 22.006 2.046 15.590 170 HE2 PHE 25 HE2 PHE 25 19.591 3.861 18.683 171 HZ PHE 25 HZ PHE 25 21.469 4.012 17.044 172 H CYS 26 H CYS 26 18.726 -1.912 14.950 173 HA CYS 26 HA CYS 26 18.981 0.235 13.189 174 1HB CYS 26 2HB CYS 26 19.382 -2.721 13.182 175 2HB CYS 26 3HB CYS 26 19.035 -2.068 11.635 176 H GLU 27 H GLU 27 16.285 -1.992 13.631 177 HA GLU 27 HA GLU 27 14.867 -1.307 11.215 178 1HB GLU 27 2HB GLU 27 14.484 -3.006 13.605 179 2HB GLU 27 3HB GLU 27 13.034 -2.102 13.191 180 1HG GLU 27 2HG GLU 27 13.746 -3.003 10.724 181 2HG GLU 27 3HG GLU 27 14.542 -4.187 11.686 182 H MET 28 H MET 28 14.096 -0.491 14.591 183 HA MET 28 HA MET 28 12.255 1.544 14.103 184 1HB MET 28 2HB MET 28 13.371 0.407 16.351 185 2HB MET 28 3HB MET 28 14.171 1.972 16.391 186 1HG MET 28 2HG MET 28 11.245 2.115 15.890 187 2HG MET 28 3HG MET 28 11.684 1.359 17.417 188 1HE MET 28 1HE MET 28 10.531 3.526 19.083 189 2HE MET 28 2HE MET 28 10.323 4.965 18.059 190 3HE MET 28 3HE MET 28 9.854 3.366 17.447 191 H LYS 29 H LYS 29 15.708 1.733 13.911 192 HA LYS 29 HA LYS 29 15.764 4.635 13.555 193 1HB LYS 29 2HB LYS 29 17.621 3.158 14.571 194 2HB LYS 29 3HB LYS 29 18.055 2.740 12.927 195 1HG LYS 29 2HG LYS 29 17.599 5.668 13.448 196 2HG LYS 29 3HG LYS 29 18.892 4.967 14.412 197 1HD LYS 29 2HD LYS 29 20.004 4.140 12.374 198 2HD LYS 29 3HD LYS 29 18.721 4.828 11.356 199 1HE LYS 29 2HE LYS 29 20.471 6.412 13.290 200 2HE LYS 29 3HE LYS 29 20.754 6.265 11.543 201 1HZ LYS 29 1HZ LYS 29 18.432 7.576 12.847 202 2HZ LYS 29 2HZ LYS 29 19.528 8.265 11.823 203 3HZ LYS 29 3HZ LYS 29 18.439 7.176 11.264 204 H CYS 30 H CYS 30 16.540 1.945 11.336 205 HA CYS 30 HA CYS 30 16.625 3.297 8.846 206 1HB CYS 30 2HB CYS 30 15.593 0.528 9.556 207 2HB CYS 30 3HB CYS 30 15.945 1.122 7.912 208 H ASP 31 H ASP 31 13.851 2.242 10.696 209 HA ASP 31 HA ASP 31 11.692 2.705 8.903 210 1HB ASP 31 2HB ASP 31 11.853 1.636 11.364 211 2HB ASP 31 3HB ASP 31 11.522 3.258 11.908 212 H THR 32 H THR 32 12.775 4.782 11.486 213 HA THR 32 HA THR 32 11.414 7.126 10.406 214 HB THR 32 HB THR 32 13.344 6.655 12.669 215 HG1 THR 32 1HG THR 32 11.540 6.476 13.572 216 1HG2 THR 32 1HG2 THR 32 13.257 8.939 13.422 217 2HG2 THR 32 2HG2 THR 32 14.011 8.919 11.820 218 3HG2 THR 32 3HG2 THR 32 12.315 9.434 11.991 219 H ASP 33 H ASP 33 14.661 5.805 9.811 220 HA ASP 33 HA ASP 33 16.003 8.094 8.847 221 1HB ASP 33 2HB ASP 33 17.075 5.901 9.353 222 2HB ASP 33 3HB ASP 33 16.256 5.183 7.958 223 H CYS 34 H CYS 34 14.577 5.529 6.885 224 HA CYS 34 HA CYS 34 14.292 7.481 4.656 225 1HB CYS 34 2HB CYS 34 15.428 5.054 4.557 226 2HB CYS 34 3HB CYS 34 13.765 4.567 4.244 227 H SER 35 H SER 35 12.553 8.508 5.803 228 HA SER 35 HA SER 35 9.947 7.467 4.965 229 1HB SER 35 2HB SER 35 10.171 6.255 7.081 230 2HB SER 35 3HB SER 35 10.435 7.793 7.947 231 HG SER 35 HG SER 35 8.338 7.894 7.972 232 H VAL 36 H VAL 36 8.680 9.056 4.427 233 HA VAL 36 HA VAL 36 9.571 11.751 4.851 234 HB VAL 36 HB VAL 36 6.969 11.148 3.526 235 1HG1 VAL 36 1HG1 VAL 36 7.152 13.371 3.096 236 2HG1 VAL 36 2HG1 VAL 36 8.826 13.434 3.679 237 3HG1 VAL 36 3HG1 VAL 36 8.492 13.012 2.007 238 1HG2 VAL 36 1HG2 VAL 36 8.196 9.512 2.399 239 2HG2 VAL 36 2HG2 VAL 36 8.273 10.895 1.315 240 3HG2 VAL 36 3HG2 VAL 36 9.676 10.500 2.339 241 H LYS 37 H LYS 37 7.301 13.156 5.189 242 HA LYS 37 HA LYS 37 6.268 12.350 7.885 243 1HB LYS 37 2HB LYS 37 6.177 14.678 8.512 244 2HB LYS 37 3HB LYS 37 7.824 14.237 8.046 245 1HG LYS 37 2HG LYS 37 7.384 15.293 5.759 246 2HG LYS 37 3HG LYS 37 5.805 15.795 6.381 247 1HD LYS 37 2HD LYS 37 7.386 16.732 8.384 248 2HD LYS 37 3HD LYS 37 8.553 16.800 7.043 249 1HE LYS 37 2HE LYS 37 7.110 18.237 5.760 250 2HE LYS 37 3HE LYS 37 5.722 17.883 6.800 251 1HZ LYS 37 1HZ LYS 37 7.879 18.965 8.301 252 2HZ LYS 37 2HZ LYS 37 7.388 20.019 7.129 253 3HZ LYS 37 3HZ LYS 37 6.310 19.439 8.232 254 H ASP 38 H ASP 38 4.152 13.156 8.381 255 HA ASP 38 HA ASP 38 2.221 12.658 6.330 256 1HB ASP 38 2HB ASP 38 1.976 12.513 8.972 257 2HB ASP 38 3HB ASP 38 1.609 14.230 8.837 258 H VAL 39 H VAL 39 0.515 14.190 5.844 259 HA VAL 39 HA VAL 39 1.437 17.001 5.379 260 HB VAL 39 HB VAL 39 0.353 15.275 3.138 261 1HG1 VAL 39 1HG1 VAL 39 1.747 17.965 2.808 262 2HG1 VAL 39 2HG1 VAL 39 0.624 17.125 1.707 263 3HG1 VAL 39 3HG1 VAL 39 0.019 17.925 3.150 264 1HG2 VAL 39 1HG2 VAL 39 2.677 15.648 2.121 265 2HG2 VAL 39 2HG2 VAL 39 3.204 16.094 3.780 266 3HG2 VAL 39 3HG2 VAL 39 2.566 14.481 3.439 267 H LYS 40 H LYS 40 -0.132 16.910 7.265 268 HA LYS 40 HA LYS 40 -2.421 18.327 6.676 269 1HB LYS 40 2HB LYS 40 -2.957 15.439 6.325 270 2HB LYS 40 3HB LYS 40 -4.035 16.179 7.492 271 1HG LYS 40 2HG LYS 40 -4.287 18.073 5.653 272 2HG LYS 40 3HG LYS 40 -3.838 16.772 4.569 273 1HD LYS 40 2HD LYS 40 -5.854 15.955 4.576 274 2HD LYS 40 3HD LYS 40 -5.823 15.663 6.323 275 1HE LYS 40 2HE LYS 40 -6.741 17.800 6.830 276 2HE LYS 40 3HE LYS 40 -6.249 18.457 5.267 277 1HZ LYS 40 1HZ LYS 40 -7.897 16.517 4.492 278 2HZ LYS 40 2HZ LYS 40 -8.656 16.946 5.879 279 3HZ LYS 40 3HZ LYS 40 -8.388 18.067 4.708 280 H GLU 41 H GLU 41 -1.418 19.327 8.376 281 HA GLU 41 HA GLU 41 -2.079 18.312 11.122 282 1HB GLU 41 2HB GLU 41 0.049 20.105 9.980 283 2HB GLU 41 3HB GLU 41 -0.444 20.321 11.660 284 1HG GLU 41 2HG GLU 41 1.374 18.797 11.679 285 2HG GLU 41 3HG GLU 41 -0.101 17.958 12.147 286 H LYS 42 H LYS 42 -4.104 19.272 9.532 287 HA LYS 42 HA LYS 42 -5.323 21.167 11.364 288 1HB LYS 42 2HB LYS 42 -3.848 22.423 9.527 289 2HB LYS 42 3HB LYS 42 -5.289 22.232 8.532 290 1HG LYS 42 2HG LYS 42 -6.610 23.495 10.182 291 2HG LYS 42 3HG LYS 42 -5.324 23.351 11.381 292 1HD LYS 42 2HD LYS 42 -4.726 25.405 10.790 293 2HD LYS 42 3HD LYS 42 -3.894 24.630 9.453 294 1HE LYS 42 2HE LYS 42 -6.709 25.021 8.795 295 2HE LYS 42 3HE LYS 42 -6.053 26.536 9.424 296 1HZ LYS 42 1HZ LYS 42 -4.760 26.796 7.598 297 2HZ LYS 42 2HZ LYS 42 -4.380 25.202 7.470 298 3HZ LYS 42 3HZ LYS 42 -5.815 25.760 6.878 299 H LEU 43 H LEU 43 -6.153 18.934 11.363 300 HA LEU 43 HA LEU 43 -7.940 17.849 9.542 301 1HB LEU 43 2HB LEU 43 -7.267 17.429 12.284 302 2HB LEU 43 3HB LEU 43 -9.018 17.574 12.256 303 HG LEU 43 HG LEU 43 -7.479 15.760 10.361 304 1HD1 LEU 43 1HD1 LEU 43 -7.052 15.195 12.771 305 2HD1 LEU 43 2HD1 LEU 43 -8.800 14.927 12.962 306 3HD1 LEU 43 3HD1 LEU 43 -7.849 13.920 11.840 307 1HD2 LEU 43 1HD2 LEU 43 -10.106 14.759 11.012 308 2HD2 LEU 43 2HD2 LEU 43 -10.305 16.438 10.568 309 3HD2 LEU 43 3HD2 LEU 43 -9.512 15.304 9.448 310 H GLU 44 H GLU 44 -10.201 17.988 9.220 311 HA GLU 44 HA GLU 44 -11.138 20.754 9.139 312 1HB GLU 44 2HB GLU 44 -12.983 19.888 7.916 313 2HB GLU 44 3HB GLU 44 -11.506 19.132 7.309 314 1HG GLU 44 2HG GLU 44 -12.103 17.184 8.976 315 2HG GLU 44 3HG GLU 44 -13.727 17.891 8.965 316 H ASN 45 H ASN 45 -12.409 21.675 10.622 317 HA ASN 45 HA ASN 45 -14.409 20.385 12.132 318 1HB ASN 45 2HB ASN 45 -11.848 19.967 13.317 319 2HB ASN 45 3HB ASN 45 -12.506 21.343 14.182 320 1HD2 ASN 45 1HD2 ASN 45 -14.211 20.938 15.738 321 2HD2 ASN 45 2HD2 ASN 45 -14.812 19.250 15.798 322 H TYR 46 H TYR 46 -15.775 21.961 12.956 323 HA TYR 46 HA TYR 46 -14.875 24.628 13.589 324 1HB TYR 46 2HB TYR 46 -15.066 24.326 10.901 325 2HB TYR 46 3HB TYR 46 -16.754 24.653 11.244 326 HD1 TYR 46 HD1 TYR 46 -17.397 26.853 12.295 327 HD2 TYR 46 HD2 TYR 46 -13.338 25.958 11.132 328 HE1 TYR 46 HE1 TYR 46 -16.852 29.271 12.336 329 HE2 TYR 46 HE2 TYR 46 -12.806 28.381 11.103 330 HH TYR 46 HH TYR 46 -13.835 30.521 11.034 331 H LYS 47 H LYS 47 -16.501 25.718 14.698 332 HA LYS 47 HA LYS 47 -19.143 24.335 14.926 333 1HB LYS 47 2HB LYS 47 -19.263 24.819 17.255 334 2HB LYS 47 3HB LYS 47 -17.827 23.894 16.914 335 1HG LYS 47 2HG LYS 47 -16.531 25.388 17.905 336 2HG LYS 47 3HG LYS 47 -17.030 26.669 16.806 337 1HD LYS 47 2HD LYS 47 -18.582 27.539 18.256 338 2HD LYS 47 3HD LYS 47 -18.924 25.985 19.043 339 1HE LYS 47 2HE LYS 47 -16.522 26.159 19.957 340 2HE LYS 47 3HE LYS 47 -16.575 27.853 19.428 341 1HZ LYS 47 1HZ LYS 47 -18.574 28.130 20.806 342 2HZ LYS 47 2HZ LYS 47 -18.527 26.557 21.260 343 3HZ LYS 47 3HZ LYS 47 -17.341 27.583 21.756 344 HA PRO 48 HA PRO 48 -20.897 28.240 13.877 345 1HB PRO 48 2HB PRO 48 -23.400 28.080 15.085 346 2HB PRO 48 3HB PRO 48 -22.920 27.269 13.569 347 1HG PRO 48 2HG PRO 48 -23.316 26.079 16.268 348 2HG PRO 48 3HG PRO 48 -23.416 25.321 14.649 349 1HD PRO 48 2HD PRO 48 -21.255 25.258 16.505 350 2HD PRO 48 3HD PRO 48 -21.282 24.585 14.838 351 H LYS 49 H LYS 49 -22.305 30.056 15.152 352 HA LYS 49 HA LYS 49 -21.177 30.553 17.833 353 1HB LYS 49 2HB LYS 49 -20.638 32.821 17.276 354 2HB LYS 49 3HB LYS 49 -19.762 31.743 16.186 355 1HG LYS 49 2HG LYS 49 -21.264 32.198 14.346 356 2HG LYS 49 3HG LYS 49 -22.358 33.129 15.366 357 1HD LYS 49 2HD LYS 49 -19.457 33.990 14.936 358 2HD LYS 49 3HD LYS 49 -20.772 34.403 13.831 359 1HE LYS 49 2HE LYS 49 -20.986 36.227 15.190 360 2HE LYS 49 3HE LYS 49 -22.091 35.103 15.988 361 1HZ LYS 49 1HZ LYS 49 -19.738 34.600 17.212 362 2HZ LYS 49 2HZ LYS 49 -19.665 36.233 16.993 363 3HZ LYS 49 3HZ LYS 49 -20.945 35.553 17.790 364 H ASN 50 H ASN 50 -22.574 31.603 19.142 365 HA ASN 50 HA ASN 50 -25.393 31.463 18.834 366 1HB ASN 50 2HB ASN 50 -25.436 32.899 20.843 367 2HB ASN 50 3HB ASN 50 -24.355 31.499 20.973 368 1HD2 ASN 50 1HD2 ASN 50 -23.024 32.374 22.755 369 2HD2 ASN 50 2HD2 ASN 50 -22.170 33.866 22.380 Start of MODEL 22 1 1H ASP 1 H1 ASP 1 1.865 -0.048 0.743 2 2H ASP 1 H2 ASP 1 0.703 -0.921 -0.037 3 3H ASP 1 H3 ASP 1 0.606 0.734 -0.002 4 HA ASP 1 HA ASP 1 1.884 -0.863 -1.884 5 1HB ASP 1 2HB ASP 1 1.186 2.001 -1.498 6 2HB ASP 1 3HB ASP 1 2.613 1.719 -2.508 7 H GLU 2 H GLU 2 3.271 1.684 0.200 8 HA GLU 2 HA GLU 2 5.629 0.420 1.007 9 1HB GLU 2 2HB GLU 2 5.684 1.199 -1.820 10 2HB GLU 2 3HB GLU 2 6.887 2.095 -0.910 11 1HG GLU 2 2HG GLU 2 8.104 0.276 -0.288 12 2HG GLU 2 3HG GLU 2 6.745 -0.851 -0.302 13 H ALA 3 H ALA 3 4.313 3.478 -0.354 14 HA ALA 3 HA ALA 3 5.823 5.296 1.130 15 1HB ALA 3 1HB ALA 3 4.479 6.792 0.172 16 2HB ALA 3 2HB ALA 3 3.555 5.440 -0.549 17 3HB ALA 3 3HB ALA 3 3.047 6.177 0.998 18 H GLN 4 H GLN 4 2.734 3.889 2.189 19 HA GLN 4 HA GLN 4 2.474 4.917 4.717 20 1HB GLN 4 2HB GLN 4 2.036 2.021 3.874 21 2HB GLN 4 3HB GLN 4 1.421 2.739 5.359 22 1HG GLN 4 2HG GLN 4 0.604 4.480 3.206 23 2HG GLN 4 3HG GLN 4 0.271 2.820 2.694 24 1HE2 GLN 4 1HE2 GLN 4 -0.296 5.221 5.321 25 2HE2 GLN 4 2HE2 GLN 4 -1.758 4.378 5.867 26 H PHE 5 H PHE 5 4.906 2.616 3.782 27 HA PHE 5 HA PHE 5 5.916 2.141 6.527 28 1HB PHE 5 2HB PHE 5 5.699 0.322 4.626 29 2HB PHE 5 3HB PHE 5 6.975 1.218 3.795 30 HD1 PHE 5 HD1 PHE 5 6.176 -1.080 6.436 31 HD2 PHE 5 HD2 PHE 5 9.266 1.530 4.878 32 HE1 PHE 5 HE1 PHE 5 7.851 -2.296 7.664 33 HE2 PHE 5 HE2 PHE 5 10.954 0.273 6.171 34 HZ PHE 5 HZ PHE 5 10.271 -1.613 7.621 35 H LYS 6 H LYS 6 6.853 3.610 3.371 36 HA LYS 6 HA LYS 6 9.442 4.528 4.192 37 1HB LYS 6 2HB LYS 6 7.907 4.646 1.840 38 2HB LYS 6 3HB LYS 6 8.048 6.343 2.316 39 1HG LYS 6 2HG LYS 6 10.394 6.330 2.166 40 2HG LYS 6 3HG LYS 6 10.517 4.562 2.296 41 1HD LYS 6 2HD LYS 6 9.760 4.179 0.108 42 2HD LYS 6 3HD LYS 6 9.086 5.805 -0.060 43 1HE LYS 6 2HE LYS 6 10.952 6.407 -1.091 44 2HE LYS 6 3HE LYS 6 11.733 6.379 0.481 45 1HZ LYS 6 1HZ LYS 6 12.473 4.863 -1.639 46 2HZ LYS 6 2HZ LYS 6 12.878 4.533 -0.084 47 3HZ LYS 6 3HZ LYS 6 11.597 3.788 -0.769 48 H GLU 7 H GLU 7 6.285 5.822 4.771 49 HA GLU 7 HA GLU 7 7.330 8.254 5.974 50 1HB GLU 7 2HB GLU 7 4.600 7.023 5.616 51 2HB GLU 7 3HB GLU 7 4.819 8.078 7.021 52 1HG GLU 7 2HG GLU 7 4.064 9.487 5.280 53 2HG GLU 7 3HG GLU 7 5.769 9.854 5.534 54 H CYS 8 H CYS 8 6.506 5.000 7.103 55 HA CYS 8 HA CYS 8 6.655 5.794 9.958 56 1HB CYS 8 2HB CYS 8 5.556 3.615 8.675 57 2HB CYS 8 3HB CYS 8 7.166 2.999 9.051 58 H TYR 9 H TYR 9 8.782 4.235 7.522 59 HA TYR 9 HA TYR 9 11.032 3.914 9.250 60 1HB TYR 9 2HB TYR 9 10.529 3.059 6.835 61 2HB TYR 9 3HB TYR 9 11.098 4.605 6.264 62 HD1 TYR 9 HD1 TYR 9 13.522 5.281 6.627 63 HD2 TYR 9 HD2 TYR 9 11.982 1.371 7.677 64 HE1 TYR 9 HE1 TYR 9 15.816 4.344 6.527 65 HE2 TYR 9 HE2 TYR 9 14.291 0.459 7.486 66 HH TYR 9 HH TYR 9 16.683 1.458 7.878 67 H ASP 10 H ASP 10 10.353 6.612 6.960 68 HA ASP 10 HA ASP 10 12.646 8.162 7.658 69 1HB ASP 10 2HB ASP 10 10.836 8.378 5.721 70 2HB ASP 10 3HB ASP 10 9.996 9.440 6.843 71 H THR 11 H THR 11 9.294 8.393 8.764 72 HA THR 11 HA THR 11 9.691 10.467 10.685 73 HB THR 11 HB THR 11 7.488 8.386 10.633 74 HG1 THR 11 1HG THR 11 7.283 9.399 8.848 75 1HG2 THR 11 1HG2 THR 11 7.152 9.382 12.683 76 2HG2 THR 11 2HG2 THR 11 7.803 10.957 12.152 77 3HG2 THR 11 3HG2 THR 11 6.198 10.417 11.607 78 H CYS 12 H CYS 12 9.603 6.868 11.073 79 HA CYS 12 HA CYS 12 10.070 6.835 13.902 80 1HB CYS 12 2HB CYS 12 9.371 4.826 12.596 81 2HB CYS 12 3HB CYS 12 10.982 4.799 11.823 82 H HIS 13 H HIS 13 12.320 6.904 11.052 83 HA HIS 13 HA HIS 13 14.729 6.869 12.521 84 1HB HIS 13 2HB HIS 13 14.224 7.003 9.891 85 2HB HIS 13 3HB HIS 13 14.485 8.711 10.181 86 HD1 HIS 13 HD1 HIS 13 16.869 9.048 9.295 87 HD2 HIS 13 HD2 HIS 13 16.300 5.465 11.441 88 HE1 HIS 13 HE1 HIS 13 19.160 7.842 9.397 89 HE2 HIS 13 HE2 HIS 13 18.845 5.727 10.788 90 H LYS 14 H LYS 14 12.552 9.556 11.940 91 HA LYS 14 HA LYS 14 14.218 11.604 13.062 92 1HB LYS 14 2HB LYS 14 11.830 11.602 11.802 93 2HB LYS 14 3HB LYS 14 11.227 11.771 13.453 94 1HG LYS 14 2HG LYS 14 12.169 13.837 13.771 95 2HG LYS 14 3HG LYS 14 13.516 13.566 12.657 96 1HD LYS 14 2HD LYS 14 12.298 13.953 10.744 97 2HD LYS 14 3HD LYS 14 10.728 13.627 11.489 98 1HE LYS 14 2HE LYS 14 12.459 15.930 12.419 99 2HE LYS 14 3HE LYS 14 11.404 16.106 11.008 100 1HZ LYS 14 1HZ LYS 14 10.412 15.125 13.615 101 2HZ LYS 14 2HZ LYS 14 10.368 16.717 13.222 102 3HZ LYS 14 3HZ LYS 14 9.517 15.614 12.337 103 H GLU 15 H GLU 15 11.472 10.067 14.779 104 HA GLU 15 HA GLU 15 12.337 10.881 17.410 105 1HB GLU 15 2HB GLU 15 10.004 10.084 16.630 106 2HB GLU 15 3HB GLU 15 10.654 8.450 16.749 107 1HG GLU 15 2HG GLU 15 11.336 9.896 19.188 108 2HG GLU 15 3HG GLU 15 9.659 10.230 18.822 109 H CYS 16 H CYS 16 13.355 8.275 15.365 110 HA CYS 16 HA CYS 16 14.617 6.769 17.411 111 1HB CYS 16 2HB CYS 16 14.013 5.876 15.211 112 2HB CYS 16 3HB CYS 16 15.308 6.842 14.456 113 H SER 17 H SER 17 16.120 8.702 14.771 114 HA SER 17 HA SER 17 18.759 8.857 15.925 115 1HB SER 17 2HB SER 17 17.454 9.863 13.616 116 2HB SER 17 3HB SER 17 18.023 11.280 14.484 117 HG SER 17 HG SER 17 19.635 10.565 13.180 118 H ASP 18 H ASP 18 15.811 10.649 16.737 119 HA ASP 18 HA ASP 18 16.823 12.838 18.239 120 1HB ASP 18 2HB ASP 18 14.488 12.742 17.896 121 2HB ASP 18 3HB ASP 18 14.414 11.069 18.415 122 H LYS 19 H LYS 19 16.564 9.314 19.132 123 HA LYS 19 HA LYS 19 17.345 9.735 21.824 124 1HB LYS 19 2HB LYS 19 16.971 7.484 19.936 125 2HB LYS 19 3HB LYS 19 18.341 7.211 20.936 126 1HG LYS 19 2HG LYS 19 15.975 8.232 22.453 127 2HG LYS 19 3HG LYS 19 15.595 6.810 21.475 128 1HD LYS 19 2HD LYS 19 16.285 5.968 23.578 129 2HD LYS 19 3HD LYS 19 17.635 5.674 22.461 130 1HE LYS 19 2HE LYS 19 18.629 7.896 23.267 131 2HE LYS 19 3HE LYS 19 17.371 7.937 24.499 132 1HZ LYS 19 1HZ LYS 19 18.247 5.948 25.442 133 2HZ LYS 19 2HZ LYS 19 19.249 5.685 24.160 134 3HZ LYS 19 3HZ LYS 19 19.545 6.930 25.177 135 H GLY 20 H GLY 20 19.114 10.433 19.117 136 1HA GLY 20 2HA GLY 20 21.239 11.210 18.835 137 2HA GLY 20 3HA GLY 20 21.599 10.917 20.555 138 H ASN 21 H ASN 21 20.341 8.367 18.556 139 HA ASN 21 HA ASN 21 22.746 6.746 19.009 140 1HB ASN 21 2HB ASN 21 19.933 6.255 18.261 141 2HB ASN 21 3HB ASN 21 21.062 5.257 17.377 142 1HD2 ASN 21 1HD2 ASN 21 19.100 4.789 19.703 143 2HD2 ASN 21 2HD2 ASN 21 20.182 3.823 20.782 144 H GLY 22 H GLY 22 23.285 5.315 17.049 145 1HA GLY 22 2HA GLY 22 24.428 7.072 14.970 146 2HA GLY 22 3HA GLY 22 24.596 5.305 15.044 147 H PHE 23 H PHE 23 23.447 7.608 13.148 148 HA PHE 23 HA PHE 23 20.955 7.223 12.224 149 1HB PHE 23 2HB PHE 23 23.337 8.254 11.150 150 2HB PHE 23 3HB PHE 23 22.974 6.963 10.026 151 HD1 PHE 23 HD1 PHE 23 22.021 7.771 8.062 152 HD2 PHE 23 HD2 PHE 23 20.884 9.485 11.858 153 HE1 PHE 23 HE1 PHE 23 20.464 9.292 6.909 154 HE2 PHE 23 HE2 PHE 23 19.285 10.996 10.688 155 HZ PHE 23 HZ PHE 23 19.097 10.922 8.195 156 H THR 24 H THR 24 23.541 5.110 11.064 157 HA THR 24 HA THR 24 22.087 3.174 9.639 158 HB THR 24 HB THR 24 24.743 3.278 10.992 159 HG1 THR 24 1HG THR 24 24.658 3.670 8.832 160 1HG2 THR 24 1HG2 THR 24 23.403 0.600 10.431 161 2HG2 THR 24 2HG2 THR 24 25.160 0.818 10.380 162 3HG2 THR 24 3HG2 THR 24 24.302 1.118 11.886 163 H PHE 25 H PHE 25 23.098 2.836 13.085 164 HA PHE 25 HA PHE 25 21.597 0.511 13.660 165 1HB PHE 25 2HB PHE 25 23.219 1.357 15.233 166 2HB PHE 25 3HB PHE 25 22.419 2.915 15.330 167 HD1 PHE 25 HD1 PHE 25 20.539 3.333 16.766 168 HD2 PHE 25 HD2 PHE 25 22.027 -0.678 16.234 169 HE1 PHE 25 HE1 PHE 25 19.196 2.578 18.694 170 HE2 PHE 25 HE2 PHE 25 20.723 -1.418 18.203 171 HZ PHE 25 HZ PHE 25 19.339 0.241 19.488 172 H CYS 26 H CYS 26 20.582 3.967 13.835 173 HA CYS 26 HA CYS 26 17.985 3.390 14.741 174 1HB CYS 26 2HB CYS 26 19.528 5.703 13.711 175 2HB CYS 26 3HB CYS 26 17.836 5.743 13.225 176 H GLU 27 H GLU 27 19.401 3.346 11.489 177 HA GLU 27 HA GLU 27 16.870 3.135 10.090 178 1HB GLU 27 2HB GLU 27 19.750 3.241 9.452 179 2HB GLU 27 3HB GLU 27 18.957 1.907 8.609 180 1HG GLU 27 2HG GLU 27 17.149 3.875 8.171 181 2HG GLU 27 3HG GLU 27 18.539 4.879 8.414 182 H MET 28 H MET 28 19.448 0.673 10.514 183 HA MET 28 HA MET 28 18.023 -1.595 9.780 184 1HB MET 28 2HB MET 28 20.463 -1.479 10.416 185 2HB MET 28 3HB MET 28 19.979 -1.371 12.111 186 1HG MET 28 2HG MET 28 18.766 -3.623 11.732 187 2HG MET 28 3HG MET 28 19.596 -3.698 10.199 188 1HE MET 28 1HE MET 28 20.490 -5.338 14.003 189 2HE MET 28 2HE MET 28 20.873 -3.657 14.427 190 3HE MET 28 3HE MET 28 19.302 -4.060 13.713 191 H LYS 29 H LYS 29 17.713 0.231 12.748 192 HA LYS 29 HA LYS 29 16.001 -1.780 14.028 193 1HB LYS 29 2HB LYS 29 17.651 -0.070 15.145 194 2HB LYS 29 3HB LYS 29 16.328 1.073 14.988 195 1HG LYS 29 2HG LYS 29 15.452 0.170 16.883 196 2HG LYS 29 3HG LYS 29 15.148 -1.342 16.019 197 1HD LYS 29 2HD LYS 29 17.107 -2.365 16.736 198 2HD LYS 29 3HD LYS 29 17.966 -0.851 17.037 199 1HE LYS 29 2HE LYS 29 17.275 -0.632 19.106 200 2HE LYS 29 3HE LYS 29 15.594 -0.915 18.667 201 1HZ LYS 29 1HZ LYS 29 16.675 -3.368 18.464 202 2HZ LYS 29 2HZ LYS 29 17.481 -2.780 19.765 203 3HZ LYS 29 3HZ LYS 29 15.832 -2.821 19.755 204 H CYS 30 H CYS 30 15.457 1.631 12.989 205 HA CYS 30 HA CYS 30 12.685 1.761 13.107 206 1HB CYS 30 2HB CYS 30 14.663 2.906 11.143 207 2HB CYS 30 3HB CYS 30 12.944 3.308 11.124 208 H ASP 31 H ASP 31 14.684 0.113 10.728 209 HA ASP 31 HA ASP 31 12.765 -0.521 8.752 210 1HB ASP 31 2HB ASP 31 15.439 -0.877 8.982 211 2HB ASP 31 3HB ASP 31 14.981 -2.458 9.556 212 H THR 32 H THR 32 13.957 -2.547 11.371 213 HA THR 32 HA THR 32 11.740 -4.467 11.104 214 HB THR 32 HB THR 32 14.194 -4.231 12.833 215 HG1 THR 32 1HG THR 32 14.423 -5.398 11.031 216 1HG2 THR 32 1HG2 THR 32 11.813 -5.978 13.526 217 2HG2 THR 32 2HG2 THR 32 13.474 -6.394 13.995 218 3HG2 THR 32 3HG2 THR 32 12.748 -4.875 14.573 219 H ASP 33 H ASP 33 12.206 -1.492 12.888 220 HA ASP 33 HA ASP 33 10.544 -1.829 15.120 221 1HB ASP 33 2HB ASP 33 11.985 0.146 14.841 222 2HB ASP 33 3HB ASP 33 11.071 0.586 13.380 223 H CYS 34 H CYS 34 9.643 -0.021 12.200 224 HA CYS 34 HA CYS 34 6.813 -0.545 12.643 225 1HB CYS 34 2HB CYS 34 8.027 1.615 11.745 226 2HB CYS 34 3HB CYS 34 7.837 0.811 10.170 227 H SER 35 H SER 35 8.062 -2.801 12.297 228 HA SER 35 HA SER 35 6.668 -4.112 10.185 229 1HB SER 35 2HB SER 35 8.924 -3.044 9.189 230 2HB SER 35 3HB SER 35 9.567 -4.619 9.601 231 HG SER 35 HG SER 35 7.791 -5.587 8.552 232 H VAL 36 H VAL 36 6.660 -4.680 12.896 233 HA VAL 36 HA VAL 36 8.514 -6.524 13.872 234 HB VAL 36 HB VAL 36 6.565 -5.282 15.069 235 1HG1 VAL 36 1HG1 VAL 36 4.482 -6.236 15.263 236 2HG1 VAL 36 2HG1 VAL 36 4.881 -6.820 13.643 237 3HG1 VAL 36 3HG1 VAL 36 5.070 -7.898 15.036 238 1HG2 VAL 36 1HG2 VAL 36 6.794 -7.908 16.434 239 2HG2 VAL 36 2HG2 VAL 36 8.342 -7.184 15.947 240 3HG2 VAL 36 3HG2 VAL 36 7.223 -6.269 16.952 241 H LYS 37 H LYS 37 7.177 -8.734 14.654 242 HA LYS 37 HA LYS 37 5.954 -10.161 12.470 243 1HB LYS 37 2HB LYS 37 7.808 -11.819 12.062 244 2HB LYS 37 3HB LYS 37 8.162 -10.206 11.467 245 1HG LYS 37 2HG LYS 37 9.797 -9.765 13.017 246 2HG LYS 37 3HG LYS 37 9.075 -10.780 14.278 247 1HD LYS 37 2HD LYS 37 9.713 -12.814 13.085 248 2HD LYS 37 3HD LYS 37 10.423 -11.833 11.776 249 1HE LYS 37 2HE LYS 37 11.443 -10.880 14.303 250 2HE LYS 37 3HE LYS 37 11.563 -12.637 14.337 251 1HZ LYS 37 1HZ LYS 37 13.185 -12.577 12.784 252 2HZ LYS 37 2HZ LYS 37 12.403 -11.476 11.846 253 3HZ LYS 37 3HZ LYS 37 13.319 -10.967 13.098 254 H ASP 38 H ASP 38 5.723 -12.547 12.959 255 HA ASP 38 HA ASP 38 6.111 -13.300 15.747 256 1HB ASP 38 2HB ASP 38 3.823 -11.935 15.330 257 2HB ASP 38 3HB ASP 38 3.279 -13.506 14.736 258 H VAL 39 H VAL 39 6.734 -15.358 15.673 259 HA VAL 39 HA VAL 39 5.734 -17.118 13.482 260 HB VAL 39 HB VAL 39 8.086 -16.280 13.206 261 1HG1 VAL 39 1HG1 VAL 39 8.579 -16.924 15.798 262 2HG1 VAL 39 2HG1 VAL 39 9.159 -18.393 15.028 263 3HG1 VAL 39 3HG1 VAL 39 9.856 -16.826 14.562 264 1HG2 VAL 39 1HG2 VAL 39 8.566 -18.135 11.943 265 2HG2 VAL 39 2HG2 VAL 39 8.157 -19.291 13.238 266 3HG2 VAL 39 3HG2 VAL 39 6.879 -18.504 12.311 267 H LYS 40 H LYS 40 4.266 -17.019 15.596 268 HA LYS 40 HA LYS 40 4.781 -18.364 17.923 269 1HB LYS 40 2HB LYS 40 2.292 -18.621 16.186 270 2HB LYS 40 3HB LYS 40 2.371 -19.191 17.852 271 1HG LYS 40 2HG LYS 40 3.128 -16.321 17.245 272 2HG LYS 40 3HG LYS 40 1.440 -16.772 17.231 273 1HD LYS 40 2HD LYS 40 1.709 -16.056 19.383 274 2HD LYS 40 3HD LYS 40 1.904 -17.805 19.601 275 1HE LYS 40 2HE LYS 40 4.293 -17.595 19.811 276 2HE LYS 40 3HE LYS 40 4.274 -15.963 19.115 277 1HZ LYS 40 1HZ LYS 40 4.074 -15.165 21.125 278 2HZ LYS 40 2HZ LYS 40 2.633 -15.900 21.324 279 3HZ LYS 40 3HZ LYS 40 4.010 -16.658 21.824 280 H GLU 41 H GLU 41 5.805 -20.137 18.371 281 HA GLU 41 HA GLU 41 6.440 -22.064 16.469 282 1HB GLU 41 2HB GLU 41 6.813 -21.737 19.386 283 2HB GLU 41 3HB GLU 41 6.679 -23.431 18.909 284 1HG GLU 41 2HG GLU 41 8.542 -21.448 17.553 285 2HG GLU 41 3HG GLU 41 9.019 -22.453 18.912 286 H LYS 42 H LYS 42 5.324 -23.570 15.576 287 HA LYS 42 HA LYS 42 2.590 -23.946 15.830 288 1HB LYS 42 2HB LYS 42 2.825 -25.501 14.219 289 2HB LYS 42 3HB LYS 42 4.459 -24.878 14.108 290 1HG LYS 42 2HG LYS 42 5.204 -26.747 15.685 291 2HG LYS 42 3HG LYS 42 3.535 -27.372 15.634 292 1HD LYS 42 2HD LYS 42 4.637 -28.681 14.097 293 2HD LYS 42 3HD LYS 42 3.839 -27.452 13.088 294 1HE LYS 42 2HE LYS 42 6.243 -26.204 13.696 295 2HE LYS 42 3HE LYS 42 6.739 -27.887 13.781 296 1HZ LYS 42 1HZ LYS 42 6.929 -27.652 11.555 297 2HZ LYS 42 2HZ LYS 42 5.289 -27.826 11.524 298 3HZ LYS 42 3HZ LYS 42 5.960 -26.321 11.495 299 H LEU 43 H LEU 43 1.379 -24.705 17.402 300 HA LEU 43 HA LEU 43 2.263 -25.528 19.864 301 1HB LEU 43 2HB LEU 43 -0.236 -26.487 18.446 302 2HB LEU 43 3HB LEU 43 -0.005 -26.587 20.184 303 HG LEU 43 HG LEU 43 0.232 -23.864 18.861 304 1HD1 LEU 43 1HD1 LEU 43 -1.977 -25.287 18.202 305 2HD1 LEU 43 2HD1 LEU 43 -2.513 -24.557 19.721 306 3HD1 LEU 43 3HD1 LEU 43 -1.908 -23.539 18.391 307 1HD2 LEU 43 1HD2 LEU 43 -1.091 -23.368 21.118 308 2HD2 LEU 43 2HD2 LEU 43 -0.400 -24.929 21.606 309 3HD2 LEU 43 3HD2 LEU 43 0.666 -23.606 21.100 310 H GLU 44 H GLU 44 3.241 -27.286 20.683 311 HA GLU 44 HA GLU 44 3.178 -29.857 19.213 312 1HB GLU 44 2HB GLU 44 5.526 -30.110 19.654 313 2HB GLU 44 3HB GLU 44 5.247 -28.627 18.743 314 1HG GLU 44 2HG GLU 44 5.192 -27.648 21.337 315 2HG GLU 44 3HG GLU 44 6.249 -29.041 21.539 316 H ASN 45 H ASN 45 3.093 -31.608 20.470 317 HA ASN 45 HA ASN 45 3.632 -31.872 23.199 318 1HB ASN 45 2HB ASN 45 1.146 -30.370 22.826 319 2HB ASN 45 3HB ASN 45 0.729 -31.965 23.421 320 1HD2 ASN 45 1HD2 ASN 45 0.542 -32.052 25.615 321 2HD2 ASN 45 2HD2 ASN 45 1.619 -31.022 26.622 322 H TYR 46 H TYR 46 1.116 -32.609 20.880 323 HA TYR 46 HA TYR 46 0.257 -35.128 21.389 324 1HB TYR 46 2HB TYR 46 -0.350 -35.329 19.157 325 2HB TYR 46 3HB TYR 46 -0.288 -33.586 19.385 326 HD1 TYR 46 HD1 TYR 46 0.900 -36.396 17.465 327 HD2 TYR 46 HD2 TYR 46 2.045 -32.429 18.726 328 HE1 TYR 46 HE1 TYR 46 2.606 -36.313 15.677 329 HE2 TYR 46 HE2 TYR 46 3.773 -32.369 16.946 330 HH TYR 46 HH TYR 46 4.205 -35.079 14.663 331 H LYS 47 H LYS 47 1.082 -37.091 21.601 332 HA LYS 47 HA LYS 47 3.213 -38.120 20.040 333 1HB LYS 47 2HB LYS 47 4.315 -36.431 21.916 334 2HB LYS 47 3HB LYS 47 4.335 -37.918 22.832 335 1HG LYS 47 2HG LYS 47 5.411 -37.531 19.984 336 2HG LYS 47 3HG LYS 47 6.379 -37.511 21.456 337 1HD LYS 47 2HD LYS 47 4.872 -39.946 21.573 338 2HD LYS 47 3HD LYS 47 5.408 -39.825 19.905 339 1HE LYS 47 2HE LYS 47 7.254 -39.322 22.265 340 2HE LYS 47 3HE LYS 47 6.852 -40.971 21.778 341 1HZ LYS 47 1HZ LYS 47 7.537 -39.587 19.477 342 2HZ LYS 47 2HZ LYS 47 8.710 -39.237 20.571 343 3HZ LYS 47 3HZ LYS 47 8.370 -40.804 20.187 344 HA PRO 48 HA PRO 48 0.499 -41.090 22.257 345 1HB PRO 48 2HB PRO 48 -0.281 -42.512 19.999 346 2HB PRO 48 3HB PRO 48 -1.163 -41.145 20.727 347 1HG PRO 48 2HG PRO 48 0.421 -41.189 18.218 348 2HG PRO 48 3HG PRO 48 -0.855 -40.053 18.747 349 1HD PRO 48 2HD PRO 48 1.995 -39.680 18.819 350 2HD PRO 48 3HD PRO 48 0.722 -38.563 19.423 351 H LYS 49 H LYS 49 1.110 -43.125 22.833 352 HA LYS 49 HA LYS 49 3.806 -44.037 22.204 353 1HB LYS 49 2HB LYS 49 3.418 -45.757 23.800 354 2HB LYS 49 3HB LYS 49 2.736 -44.282 24.463 355 1HG LYS 49 2HG LYS 49 0.643 -45.138 24.579 356 2HG LYS 49 3HG LYS 49 0.697 -45.796 22.940 357 1HD LYS 49 2HD LYS 49 1.898 -47.727 23.640 358 2HD LYS 49 3HD LYS 49 2.139 -47.131 25.268 359 1HE LYS 49 2HE LYS 49 0.075 -47.696 25.951 360 2HE LYS 49 3HE LYS 49 -0.704 -47.150 24.463 361 1HZ LYS 49 1HZ LYS 49 -0.304 -49.162 23.410 362 2HZ LYS 49 2HZ LYS 49 0.901 -49.600 24.367 363 3HZ LYS 49 3HZ LYS 49 -0.649 -49.679 24.949 364 H ASN 50 H ASN 50 3.882 -46.604 21.838 365 HA ASN 50 HA ASN 50 2.705 -47.131 19.195 366 1HB ASN 50 2HB ASN 50 4.772 -48.603 20.899 367 2HB ASN 50 3HB ASN 50 4.226 -49.135 19.308 368 1HD2 ASN 50 1HD2 ASN 50 4.606 -47.687 17.478 369 2HD2 ASN 50 2HD2 ASN 50 6.052 -46.650 17.550 Start of MODEL 23 1 1H ASP 1 H1 ASP 1 1.963 -0.295 0.752 2 2H ASP 1 H2 ASP 1 0.563 -0.645 -0.078 3 3H ASP 1 H3 ASP 1 0.976 0.932 0.178 4 HA ASP 1 HA ASP 1 1.601 -0.699 -1.931 5 1HB ASP 1 2HB ASP 1 2.784 2.036 -1.339 6 2HB ASP 1 3HB ASP 1 2.444 1.319 -2.923 7 H GLU 2 H GLU 2 4.113 0.286 -2.787 8 HA GLU 2 HA GLU 2 6.189 0.033 -0.874 9 1HB GLU 2 2HB GLU 2 6.948 -2.263 -2.067 10 2HB GLU 2 3HB GLU 2 6.018 -2.235 -0.578 11 1HG GLU 2 2HG GLU 2 4.045 -2.942 -1.594 12 2HG GLU 2 3HG GLU 2 4.435 -2.220 -3.153 13 H ALA 3 H ALA 3 7.790 1.108 -1.804 14 HA ALA 3 HA ALA 3 9.084 0.656 -4.164 15 1HB ALA 3 1HB ALA 3 6.581 2.321 -4.596 16 2HB ALA 3 2HB ALA 3 8.034 2.658 -5.589 17 3HB ALA 3 3HB ALA 3 7.308 1.069 -5.642 18 H GLN 4 H GLN 4 7.976 3.945 -4.057 19 HA GLN 4 HA GLN 4 10.391 5.129 -3.598 20 1HB GLN 4 2HB GLN 4 8.899 6.998 -2.465 21 2HB GLN 4 3HB GLN 4 8.737 6.657 -4.186 22 1HG GLN 4 2HG GLN 4 6.674 5.599 -3.943 23 2HG GLN 4 3HG GLN 4 6.989 5.097 -2.281 24 1HE2 GLN 4 1HE2 GLN 4 5.521 5.927 -1.022 25 2HE2 GLN 4 2HE2 GLN 4 5.042 7.625 -1.016 26 H PHE 5 H PHE 5 8.365 3.563 -1.236 27 HA PHE 5 HA PHE 5 9.840 4.622 1.085 28 1HB PHE 5 2HB PHE 5 7.297 4.122 0.952 29 2HB PHE 5 3HB PHE 5 7.703 2.420 0.814 30 HD1 PHE 5 HD1 PHE 5 7.569 5.324 3.048 31 HD2 PHE 5 HD2 PHE 5 8.699 1.176 2.728 32 HE1 PHE 5 HE1 PHE 5 7.637 5.122 5.532 33 HE2 PHE 5 HE2 PHE 5 8.800 1.025 5.231 34 HZ PHE 5 HZ PHE 5 8.299 3.008 6.606 35 H LYS 6 H LYS 6 9.401 1.554 -0.776 36 HA LYS 6 HA LYS 6 10.980 -0.086 0.951 37 1HB LYS 6 2HB LYS 6 9.307 -0.823 -0.888 38 2HB LYS 6 3HB LYS 6 10.576 -0.461 -2.051 39 1HG LYS 6 2HG LYS 6 11.058 -2.686 -1.675 40 2HG LYS 6 3HG LYS 6 12.065 -2.006 -0.419 41 1HD LYS 6 2HD LYS 6 10.835 -2.854 1.264 42 2HD LYS 6 3HD LYS 6 9.288 -2.444 0.526 43 1HE LYS 6 2HE LYS 6 9.089 -4.428 -0.636 44 2HE LYS 6 3HE LYS 6 10.837 -4.625 -0.811 45 1HZ LYS 6 1HZ LYS 6 10.615 -4.835 1.807 46 2HZ LYS 6 2HZ LYS 6 9.133 -5.429 1.391 47 3HZ LYS 6 3HZ LYS 6 10.508 -6.130 0.805 48 H GLU 7 H GLU 7 11.748 2.294 -1.492 49 HA GLU 7 HA GLU 7 14.481 1.412 -1.682 50 1HB GLU 7 2HB GLU 7 12.933 2.810 -3.414 51 2HB GLU 7 3HB GLU 7 13.616 4.176 -2.534 52 1HG GLU 7 2HG GLU 7 15.173 3.871 -4.255 53 2HG GLU 7 3HG GLU 7 15.935 2.981 -2.940 54 H CYS 8 H CYS 8 12.594 3.691 0.249 55 HA CYS 8 HA CYS 8 14.951 5.112 1.222 56 1HB CYS 8 2HB CYS 8 12.284 5.712 1.149 57 2HB CYS 8 3HB CYS 8 12.400 5.051 2.771 58 H TYR 9 H TYR 9 12.758 2.505 2.369 59 HA TYR 9 HA TYR 9 14.004 2.129 4.889 60 1HB TYR 9 2HB TYR 9 11.774 1.225 3.822 61 2HB TYR 9 3HB TYR 9 12.760 -0.010 3.083 62 HD1 TYR 9 HD1 TYR 9 14.093 -1.610 4.578 63 HD2 TYR 9 HD2 TYR 9 11.053 1.062 6.084 64 HE1 TYR 9 HE1 TYR 9 13.866 -2.996 6.617 65 HE2 TYR 9 HE2 TYR 9 10.871 -0.374 8.111 66 HH TYR 9 HH TYR 9 11.854 -1.905 9.358 67 H ASP 10 H ASP 10 14.501 0.405 1.747 68 HA ASP 10 HA ASP 10 16.532 -1.309 2.707 69 1HB ASP 10 2HB ASP 10 15.174 -1.198 0.410 70 2HB ASP 10 3HB ASP 10 16.541 -0.241 -0.143 71 H THR 11 H THR 11 16.721 1.783 0.856 72 HA THR 11 HA THR 11 19.520 1.985 0.894 73 HB THR 11 HB THR 11 17.424 4.171 0.672 74 HG1 THR 11 1HG THR 11 17.503 3.536 -1.452 75 1HG2 THR 11 1HG2 THR 11 19.256 5.515 0.623 76 2HG2 THR 11 2HG2 THR 11 20.362 4.139 0.322 77 3HG2 THR 11 3HG2 THR 11 19.440 4.860 -1.015 78 H CYS 12 H CYS 12 17.052 3.371 3.100 79 HA CYS 12 HA CYS 12 18.789 4.820 4.751 80 1HB CYS 12 2HB CYS 12 16.380 5.075 4.827 81 2HB CYS 12 3HB CYS 12 16.172 3.450 5.488 82 H HIS 13 H HIS 13 17.690 1.378 4.872 83 HA HIS 13 HA HIS 13 18.991 0.595 7.197 84 1HB HIS 13 2HB HIS 13 17.472 -0.722 5.444 85 2HB HIS 13 3HB HIS 13 19.028 -1.229 4.851 86 HD1 HIS 13 HD1 HIS 13 19.274 -3.582 5.729 87 HD2 HIS 13 HD2 HIS 13 17.684 -0.888 8.559 88 HE1 HIS 13 HE1 HIS 13 18.987 -4.866 7.926 89 HE2 HIS 13 HE2 HIS 13 18.105 -3.247 9.675 90 H LYS 14 H LYS 14 20.298 0.932 3.899 91 HA LYS 14 HA LYS 14 22.856 -0.147 4.400 92 1HB LYS 14 2HB LYS 14 21.666 0.833 2.203 93 2HB LYS 14 3HB LYS 14 22.550 2.295 2.636 94 1HG LYS 14 2HG LYS 14 24.605 0.619 2.909 95 2HG LYS 14 3HG LYS 14 23.604 -0.429 1.887 96 1HD LYS 14 2HD LYS 14 23.394 1.622 0.302 97 2HD LYS 14 3HD LYS 14 24.674 2.357 1.287 98 1HE LYS 14 2HE LYS 14 25.984 0.136 0.849 99 2HE LYS 14 3HE LYS 14 24.796 -0.158 -0.431 100 1HZ LYS 14 1HZ LYS 14 25.485 1.787 -1.546 101 2HZ LYS 14 2HZ LYS 14 26.311 2.369 -0.246 102 3HZ LYS 14 3HZ LYS 14 26.900 1.075 -1.077 103 H GLU 15 H GLU 15 22.136 3.395 4.339 104 HA GLU 15 HA GLU 15 24.530 4.094 5.709 105 1HB GLU 15 2HB GLU 15 23.041 5.637 4.339 106 2HB GLU 15 3HB GLU 15 21.889 5.621 5.675 107 1HG GLU 15 2HG GLU 15 24.542 6.202 6.738 108 2HG GLU 15 3HG GLU 15 24.285 7.217 5.348 109 H CYS 16 H CYS 16 21.607 2.677 6.863 110 HA CYS 16 HA CYS 16 21.814 3.631 9.530 111 1HB CYS 16 2HB CYS 16 19.700 2.840 8.469 112 2HB CYS 16 3HB CYS 16 20.310 1.187 8.566 113 H SER 17 H SER 17 22.079 0.268 8.249 114 HA SER 17 HA SER 17 23.348 -0.911 10.374 115 1HB SER 17 2HB SER 17 22.706 -1.663 7.742 116 2HB SER 17 3HB SER 17 24.459 -1.799 7.783 117 HG SER 17 HG SER 17 24.261 -3.496 9.013 118 H ASP 18 H ASP 18 24.680 1.343 7.967 119 HA ASP 18 HA ASP 18 27.412 0.871 8.192 120 1HB ASP 18 2HB ASP 18 26.783 2.505 6.616 121 2HB ASP 18 3HB ASP 18 25.715 3.286 7.749 122 H LYS 19 H LYS 19 25.154 2.492 10.446 123 HA LYS 19 HA LYS 19 27.112 3.576 12.113 124 1HB LYS 19 2HB LYS 19 24.172 3.273 12.116 125 2HB LYS 19 3HB LYS 19 24.798 2.961 13.671 126 1HG LYS 19 2HG LYS 19 26.089 5.328 12.435 127 2HG LYS 19 3HG LYS 19 24.346 5.449 12.360 128 1HD LYS 19 2HD LYS 19 24.995 6.446 14.432 129 2HD LYS 19 3HD LYS 19 24.293 4.887 14.861 130 1HE LYS 19 2HE LYS 19 27.238 4.857 14.298 131 2HE LYS 19 3HE LYS 19 26.768 5.815 15.707 132 1HZ LYS 19 1HZ LYS 19 25.386 3.371 15.724 133 2HZ LYS 19 2HZ LYS 19 26.957 3.040 15.501 134 3HZ LYS 19 3HZ LYS 19 26.481 3.919 16.833 135 H GLY 20 H GLY 20 26.402 0.400 11.487 136 1HA GLY 20 2HA GLY 20 27.372 -1.527 12.257 137 2HA GLY 20 3HA GLY 20 28.192 -0.573 13.518 138 H ASN 21 H ASN 21 24.738 -0.209 13.126 139 HA ASN 21 HA ASN 21 24.311 -1.233 15.806 140 1HB ASN 21 2HB ASN 21 22.875 0.472 13.894 141 2HB ASN 21 3HB ASN 21 21.820 -0.649 14.695 142 1HD2 ASN 21 1HD2 ASN 21 22.292 2.294 14.894 143 2HD2 ASN 21 2HD2 ASN 21 22.433 2.562 16.644 144 H GLY 22 H GLY 22 21.995 -2.442 15.886 145 1HA GLY 22 2HA GLY 22 22.486 -5.020 14.579 146 2HA GLY 22 3HA GLY 22 21.194 -4.640 15.753 147 H PHE 23 H PHE 23 21.587 -5.677 12.729 148 HA PHE 23 HA PHE 23 20.279 -4.261 10.876 149 1HB PHE 23 2HB PHE 23 20.842 -6.986 11.386 150 2HB PHE 23 3HB PHE 23 19.111 -6.990 11.203 151 HD1 PHE 23 HD1 PHE 23 21.912 -5.181 9.466 152 HD2 PHE 23 HD2 PHE 23 18.403 -7.671 9.134 153 HE1 PHE 23 HE1 PHE 23 22.158 -5.203 6.986 154 HE2 PHE 23 HE2 PHE 23 18.661 -7.697 6.663 155 HZ PHE 23 HZ PHE 23 20.532 -6.473 5.585 156 H THR 24 H THR 24 18.417 -6.409 13.069 157 HA THR 24 HA THR 24 15.890 -5.643 12.456 158 HB THR 24 HB THR 24 17.266 -6.754 14.839 159 HG1 THR 24 1HG THR 24 14.776 -7.131 13.537 160 1HG2 THR 24 1HG2 THR 24 15.126 -6.666 16.204 161 2HG2 THR 24 2HG2 THR 24 16.006 -5.151 16.162 162 3HG2 THR 24 3HG2 THR 24 14.575 -5.363 15.118 163 H PHE 25 H PHE 25 17.747 -4.099 15.137 164 HA PHE 25 HA PHE 25 15.982 -2.035 15.669 165 1HB PHE 25 2HB PHE 25 17.950 -2.490 17.045 166 2HB PHE 25 3HB PHE 25 19.023 -2.232 15.692 167 HD1 PHE 25 HD1 PHE 25 19.888 -0.116 15.120 168 HD2 PHE 25 HD2 PHE 25 16.670 -0.456 17.930 169 HE1 PHE 25 HE1 PHE 25 20.153 2.301 15.733 170 HE2 PHE 25 HE2 PHE 25 16.961 1.948 18.553 171 HZ PHE 25 HZ PHE 25 18.728 3.306 17.460 172 H CYS 26 H CYS 26 18.604 -2.137 13.202 173 HA CYS 26 HA CYS 26 18.263 0.508 12.339 174 1HB CYS 26 2HB CYS 26 19.766 -1.885 11.523 175 2HB CYS 26 3HB CYS 26 19.141 -1.001 10.151 176 H GLU 27 H GLU 27 16.577 -2.521 11.612 177 HA GLU 27 HA GLU 27 15.182 -1.554 9.311 178 1HB GLU 27 2HB GLU 27 15.375 -4.018 10.882 179 2HB GLU 27 3HB GLU 27 13.684 -3.641 10.617 180 1HG GLU 27 2HG GLU 27 13.826 -4.134 8.410 181 2HG GLU 27 3HG GLU 27 15.362 -3.271 8.208 182 H MET 28 H MET 28 13.949 -2.335 12.609 183 HA MET 28 HA MET 28 11.469 -1.105 12.343 184 1HB MET 28 2HB MET 28 13.305 -1.863 14.561 185 2HB MET 28 3HB MET 28 12.229 -0.543 14.995 186 1HG MET 28 2HG MET 28 10.289 -1.815 14.698 187 2HG MET 28 3HG MET 28 11.085 -2.964 13.617 188 1HE MET 28 1HE MET 28 10.750 -5.689 16.073 189 2HE MET 28 2HE MET 28 9.430 -4.519 15.814 190 3HE MET 28 3HE MET 28 10.471 -5.008 14.453 191 H LYS 29 H LYS 29 14.629 0.382 13.058 192 HA LYS 29 HA LYS 29 13.515 2.963 13.638 193 1HB LYS 29 2HB LYS 29 15.842 1.983 14.290 194 2HB LYS 29 3HB LYS 29 16.357 2.492 12.684 195 1HG LYS 29 2HG LYS 29 14.897 4.357 14.617 196 2HG LYS 29 3HG LYS 29 16.633 4.068 14.767 197 1HD LYS 29 2HD LYS 29 16.824 4.715 12.271 198 2HD LYS 29 3HD LYS 29 15.150 5.276 12.401 199 1HE LYS 29 2HE LYS 29 15.830 6.744 14.313 200 2HE LYS 29 3HE LYS 29 17.514 6.266 14.038 201 1HZ LYS 29 1HZ LYS 29 17.533 7.356 11.972 202 2HZ LYS 29 2HZ LYS 29 15.937 7.337 11.785 203 3HZ LYS 29 3HZ LYS 29 16.606 8.383 12.867 204 H CYS 30 H CYS 30 15.433 1.820 10.799 205 HA CYS 30 HA CYS 30 15.067 3.978 9.143 206 1HB CYS 30 2HB CYS 30 15.239 1.017 8.662 207 2HB CYS 30 3HB CYS 30 14.978 2.080 7.306 208 H ASP 31 H ASP 31 12.718 1.532 10.158 209 HA ASP 31 HA ASP 31 10.761 1.906 8.208 210 1HB ASP 31 2HB ASP 31 11.000 0.223 10.327 211 2HB ASP 31 3HB ASP 31 10.006 1.423 11.106 212 H THR 32 H THR 32 10.971 3.259 11.519 213 HA THR 32 HA THR 32 8.906 5.228 10.970 214 HB THR 32 HB THR 32 10.629 4.423 13.301 215 HG1 THR 32 1HG THR 32 7.930 5.117 12.810 216 1HG2 THR 32 1HG2 THR 32 9.247 7.114 13.039 217 2HG2 THR 32 2HG2 THR 32 9.567 6.347 14.606 218 3HG2 THR 32 3HG2 THR 32 10.928 6.799 13.546 219 H ASP 33 H ASP 33 12.315 5.074 10.477 220 HA ASP 33 HA ASP 33 13.073 7.740 10.697 221 1HB ASP 33 2HB ASP 33 14.705 5.963 10.275 222 2HB ASP 33 3HB ASP 33 13.950 5.616 8.731 223 H CYS 34 H CYS 34 12.467 6.082 7.581 224 HA CYS 34 HA CYS 34 11.797 8.608 6.351 225 1HB CYS 34 2HB CYS 34 12.997 6.430 5.366 226 2HB CYS 34 3HB CYS 34 11.351 5.988 4.940 227 H SER 35 H SER 35 9.967 9.165 7.569 228 HA SER 35 HA SER 35 7.526 8.407 6.399 229 1HB SER 35 2HB SER 35 8.205 6.438 8.165 230 2HB SER 35 3HB SER 35 7.445 7.521 9.314 231 HG SER 35 HG SER 35 5.832 7.474 7.236 232 H VAL 36 H VAL 36 5.878 9.912 7.127 233 HA VAL 36 HA VAL 36 6.690 12.306 8.318 234 HB VAL 36 HB VAL 36 4.679 11.692 6.760 235 1HG1 VAL 36 1HG1 VAL 36 3.078 11.758 9.321 236 2HG1 VAL 36 2HG1 VAL 36 2.593 11.240 7.715 237 3HG1 VAL 36 3HG1 VAL 36 3.691 10.222 8.684 238 1HG2 VAL 36 1HG2 VAL 36 4.478 13.900 6.864 239 2HG2 VAL 36 2HG2 VAL 36 3.525 13.760 8.352 240 3HG2 VAL 36 3HG2 VAL 36 5.280 13.952 8.437 241 H LYS 37 H LYS 37 4.617 12.901 10.095 242 HA LYS 37 HA LYS 37 4.329 11.130 12.224 243 1HB LYS 37 2HB LYS 37 7.004 12.161 12.110 244 2HB LYS 37 3HB LYS 37 6.254 13.017 13.429 245 1HG LYS 37 2HG LYS 37 5.529 10.851 14.429 246 2HG LYS 37 3HG LYS 37 6.177 9.964 13.057 247 1HD LYS 37 2HD LYS 37 8.146 9.824 14.113 248 2HD LYS 37 3HD LYS 37 8.358 11.545 13.853 249 1HE LYS 37 2HE LYS 37 6.571 10.872 16.149 250 2HE LYS 37 3HE LYS 37 8.218 10.269 16.326 251 1HZ LYS 37 1HZ LYS 37 7.278 12.949 16.465 252 2HZ LYS 37 2HZ LYS 37 8.743 12.332 16.932 253 3HZ LYS 37 3HZ LYS 37 8.497 12.818 15.376 254 H ASP 38 H ASP 38 4.351 12.850 14.418 255 HA ASP 38 HA ASP 38 1.922 14.278 13.931 256 1HB ASP 38 2HB ASP 38 3.006 13.252 16.177 257 2HB ASP 38 3HB ASP 38 3.755 14.850 16.286 258 H VAL 39 H VAL 39 1.845 16.673 14.824 259 HA VAL 39 HA VAL 39 4.209 18.292 14.172 260 HB VAL 39 HB VAL 39 1.698 18.289 12.446 261 1HG1 VAL 39 1HG1 VAL 39 3.704 20.228 11.589 262 2HG1 VAL 39 2HG1 VAL 39 1.978 20.455 11.997 263 3HG1 VAL 39 3HG1 VAL 39 3.214 20.593 13.238 264 1HG2 VAL 39 1HG2 VAL 39 3.444 18.133 10.590 265 2HG2 VAL 39 2HG2 VAL 39 4.648 17.833 11.872 266 3HG2 VAL 39 3HG2 VAL 39 3.282 16.721 11.601 267 H LYS 40 H LYS 40 3.965 18.788 16.371 268 HA LYS 40 HA LYS 40 1.734 19.619 17.741 269 1HB LYS 40 2HB LYS 40 4.589 20.706 17.866 270 2HB LYS 40 3HB LYS 40 3.343 21.122 19.054 271 1HG LYS 40 2HG LYS 40 3.152 18.892 19.850 272 2HG LYS 40 3HG LYS 40 3.965 18.206 18.439 273 1HD LYS 40 2HD LYS 40 6.105 19.215 19.110 274 2HD LYS 40 3HD LYS 40 5.324 20.019 20.477 275 1HE LYS 40 2HE LYS 40 6.386 18.061 21.362 276 2HE LYS 40 3HE LYS 40 4.647 17.735 21.353 277 1HZ LYS 40 1HZ LYS 40 4.912 16.114 19.861 278 2HZ LYS 40 2HZ LYS 40 5.937 16.979 18.921 279 3HZ LYS 40 3HZ LYS 40 6.529 16.157 20.229 280 H GLU 41 H GLU 41 0.504 21.405 17.971 281 HA GLU 41 HA GLU 41 0.500 23.161 15.661 282 1HB GLU 41 2HB GLU 41 -1.330 22.921 18.095 283 2HB GLU 41 3HB GLU 41 -1.557 24.105 16.808 284 1HG GLU 41 2HG GLU 41 -2.943 22.336 16.130 285 2HG GLU 41 3HG GLU 41 -1.495 22.135 15.144 286 H LYS 42 H LYS 42 0.227 25.524 15.945 287 HA LYS 42 HA LYS 42 2.488 26.660 17.063 288 1HB LYS 42 2HB LYS 42 0.378 27.586 15.536 289 2HB LYS 42 3HB LYS 42 0.039 28.413 17.056 290 1HG LYS 42 2HG LYS 42 2.881 28.412 15.970 291 2HG LYS 42 3HG LYS 42 1.695 29.455 15.206 292 1HD LYS 42 2HD LYS 42 1.932 29.474 18.222 293 2HD LYS 42 3HD LYS 42 3.140 30.329 17.253 294 1HE LYS 42 2HE LYS 42 0.419 30.867 16.310 295 2HE LYS 42 3HE LYS 42 0.524 31.189 18.043 296 1HZ LYS 42 1HZ LYS 42 1.243 32.978 16.277 297 2HZ LYS 42 2HZ LYS 42 2.040 32.830 17.719 298 3HZ LYS 42 3HZ LYS 42 2.683 32.181 16.347 299 H LEU 43 H LEU 43 3.183 26.931 19.046 300 HA LEU 43 HA LEU 43 2.023 26.035 21.312 301 1HB LEU 43 2HB LEU 43 3.687 27.067 22.491 302 2HB LEU 43 3HB LEU 43 4.411 26.982 20.892 303 HG LEU 43 HG LEU 43 2.962 29.494 21.842 304 1HD1 LEU 43 1HD1 LEU 43 4.870 28.671 23.401 305 2HD1 LEU 43 2HD1 LEU 43 5.941 29.217 22.094 306 3HD1 LEU 43 3HD1 LEU 43 4.800 30.345 22.879 307 1HD2 LEU 43 1HD2 LEU 43 5.267 29.255 19.889 308 2HD2 LEU 43 2HD2 LEU 43 3.597 29.068 19.398 309 3HD2 LEU 43 3HD2 LEU 43 4.100 30.596 20.117 310 H GLU 44 H GLU 44 1.101 27.147 23.224 311 HA GLU 44 HA GLU 44 -1.106 28.839 22.284 312 1HB GLU 44 2HB GLU 44 -2.061 28.446 24.453 313 2HB GLU 44 3HB GLU 44 -1.529 26.907 23.791 314 1HG GLU 44 2HG GLU 44 0.081 26.585 25.389 315 2HG GLU 44 3HG GLU 44 0.564 28.263 25.444 316 H ASN 45 H ASN 45 -1.744 30.611 23.938 317 HA ASN 45 HA ASN 45 -1.326 32.619 24.852 318 1HB ASN 45 2HB ASN 45 0.573 30.963 26.084 319 2HB ASN 45 3HB ASN 45 1.557 32.254 25.414 320 1HD2 ASN 45 1HD2 ASN 45 1.209 34.402 26.081 321 2HD2 ASN 45 2HD2 ASN 45 0.345 34.717 27.595 322 H TYR 46 H TYR 46 -0.821 34.591 23.961 323 HA TYR 46 HA TYR 46 1.227 34.629 21.778 324 1HB TYR 46 2HB TYR 46 -1.563 35.813 21.995 325 2HB TYR 46 3HB TYR 46 -0.410 36.356 20.791 326 HD1 TYR 46 HD1 TYR 46 -2.127 33.227 22.008 327 HD2 TYR 46 HD2 TYR 46 -0.299 35.310 18.710 328 HE1 TYR 46 HE1 TYR 46 -2.841 31.403 20.473 329 HE2 TYR 46 HE2 TYR 46 -1.064 33.465 17.160 330 HH TYR 46 HH TYR 46 -3.133 30.882 18.274 331 H LYS 47 H LYS 47 1.704 36.982 21.179 332 HA LYS 47 HA LYS 47 2.886 38.156 23.480 333 1HB LYS 47 2HB LYS 47 3.648 39.899 21.970 334 2HB LYS 47 3HB LYS 47 3.826 38.344 21.193 335 1HG LYS 47 2HG LYS 47 2.336 38.849 19.540 336 2HG LYS 47 3HG LYS 47 1.185 39.603 20.631 337 1HD LYS 47 2HD LYS 47 2.521 41.656 20.747 338 2HD LYS 47 3HD LYS 47 3.745 40.931 19.682 339 1HE LYS 47 2HE LYS 47 1.966 40.653 17.914 340 2HE LYS 47 3HE LYS 47 0.818 41.470 18.986 341 1HZ LYS 47 1HZ LYS 47 2.986 42.599 17.440 342 2HZ LYS 47 2HZ LYS 47 1.582 43.301 17.940 343 3HZ LYS 47 3HZ LYS 47 2.854 43.200 18.966 344 HA PRO 48 HA PRO 48 -0.337 40.700 24.934 345 1HB PRO 48 2HB PRO 48 1.096 42.857 25.992 346 2HB PRO 48 3HB PRO 48 0.887 41.269 26.777 347 1HG PRO 48 2HG PRO 48 3.296 42.391 25.449 348 2HG PRO 48 3HG PRO 48 3.173 41.057 26.635 349 1HD PRO 48 2HD PRO 48 3.516 40.867 23.808 350 2HD PRO 48 3HD PRO 48 3.282 39.531 24.960 351 H LYS 49 H LYS 49 -1.622 42.494 24.496 352 HA LYS 49 HA LYS 49 -0.810 43.969 22.040 353 1HB LYS 49 2HB LYS 49 -3.091 44.129 21.463 354 2HB LYS 49 3HB LYS 49 -2.818 42.444 21.903 355 1HG LYS 49 2HG LYS 49 -3.943 42.652 23.984 356 2HG LYS 49 3HG LYS 49 -3.867 44.410 23.988 357 1HD LYS 49 2HD LYS 49 -5.413 42.934 21.850 358 2HD LYS 49 3HD LYS 49 -6.116 43.359 23.422 359 1HE LYS 49 2HE LYS 49 -5.316 45.787 22.957 360 2HE LYS 49 3HE LYS 49 -5.004 45.260 21.303 361 1HZ LYS 49 1HZ LYS 49 -7.178 46.089 21.313 362 2HZ LYS 49 2HZ LYS 49 -7.395 44.451 21.345 363 3HZ LYS 49 3HZ LYS 49 -7.585 45.341 22.718 364 H ASN 50 H ASN 50 -1.453 46.240 21.873 365 HA ASN 50 HA ASN 50 -2.043 47.590 24.387 366 1HB ASN 50 2HB ASN 50 -0.138 49.018 24.235 367 2HB ASN 50 3HB ASN 50 0.496 47.379 24.149 368 1HD2 ASN 50 1HD2 ASN 50 1.630 49.906 23.222 369 2HD2 ASN 50 2HD2 ASN 50 1.885 49.699 21.477 Start of MODEL 24 1 1H ASP 1 H1 ASP 1 0.721 -0.612 0.100 2 2H ASP 1 H2 ASP 1 0.908 1.029 0.036 3 3H ASP 1 H3 ASP 1 2.005 0.094 0.837 4 HA ASP 1 HA ASP 1 2.064 0.816 -1.883 5 1HB ASP 1 2HB ASP 1 3.844 -0.031 0.178 6 2HB ASP 1 3HB ASP 1 4.090 -1.107 -1.210 7 H GLU 2 H GLU 2 2.005 -2.550 -0.438 8 HA GLU 2 HA GLU 2 1.633 -3.852 -2.897 9 1HB GLU 2 2HB GLU 2 0.897 -5.702 -1.571 10 2HB GLU 2 3HB GLU 2 2.127 -4.819 -0.647 11 1HG GLU 2 2HG GLU 2 0.092 -3.561 0.454 12 2HG GLU 2 3HG GLU 2 -0.903 -4.829 -0.262 13 H ALA 3 H ALA 3 -0.923 -2.372 -0.938 14 HA ALA 3 HA ALA 3 -3.209 -3.309 -2.189 15 1HB ALA 3 1HB ALA 3 -3.833 -1.957 -0.466 16 2HB ALA 3 2HB ALA 3 -2.606 -0.704 -0.828 17 3HB ALA 3 3HB ALA 3 -4.096 -0.820 -1.801 18 H GLN 4 H GLN 4 -1.313 -0.531 -3.514 19 HA GLN 4 HA GLN 4 -2.706 0.026 -5.877 20 1HB GLN 4 2HB GLN 4 0.141 0.172 -4.927 21 2HB GLN 4 3HB GLN 4 -0.183 0.482 -6.610 22 1HG GLN 4 2HG GLN 4 -2.041 2.028 -4.940 23 2HG GLN 4 3HG GLN 4 -0.359 2.294 -4.448 24 1HE2 GLN 4 1HE2 GLN 4 1.296 2.943 -6.311 25 2HE2 GLN 4 2HE2 GLN 4 0.402 3.706 -7.664 26 H PHE 5 H PHE 5 -0.620 -2.735 -5.221 27 HA PHE 5 HA PHE 5 -0.762 -3.747 -8.021 28 1HB PHE 5 2HB PHE 5 1.355 -3.906 -6.457 29 2HB PHE 5 3HB PHE 5 0.395 -5.022 -5.490 30 HD1 PHE 5 HD1 PHE 5 2.430 -4.558 -8.417 31 HD2 PHE 5 HD2 PHE 5 -0.503 -7.193 -6.619 32 HE1 PHE 5 HE1 PHE 5 3.192 -6.377 -9.852 33 HE2 PHE 5 HE2 PHE 5 0.220 -9.012 -8.108 34 HZ PHE 5 HZ PHE 5 2.035 -8.622 -9.760 35 H LYS 6 H LYS 6 -1.863 -4.582 -4.755 36 HA LYS 6 HA LYS 6 -3.351 -6.941 -5.474 37 1HB LYS 6 2HB LYS 6 -2.885 -5.480 -3.069 38 2HB LYS 6 3HB LYS 6 -4.632 -5.481 -3.255 39 1HG LYS 6 2HG LYS 6 -4.807 -7.805 -3.014 40 2HG LYS 6 3HG LYS 6 -3.183 -8.087 -3.646 41 1HD LYS 6 2HD LYS 6 -2.228 -7.036 -1.576 42 2HD LYS 6 3HD LYS 6 -3.839 -7.067 -0.837 43 1HE LYS 6 2HE LYS 6 -2.573 -9.498 -2.162 44 2HE LYS 6 3HE LYS 6 -2.102 -9.054 -0.517 45 1HZ LYS 6 1HZ LYS 6 -4.199 -10.636 -1.130 46 2HZ LYS 6 2HZ LYS 6 -4.028 -9.835 0.289 47 3HZ LYS 6 3HZ LYS 6 -4.959 -9.201 -0.908 48 H GLU 7 H GLU 7 -4.214 -3.605 -5.684 49 HA GLU 7 HA GLU 7 -6.963 -4.149 -6.462 50 1HB GLU 7 2HB GLU 7 -7.183 -1.835 -7.055 51 2HB GLU 7 3HB GLU 7 -6.393 -1.934 -5.487 52 1HG GLU 7 2HG GLU 7 -4.231 -1.398 -6.461 53 2HG GLU 7 3HG GLU 7 -4.843 -1.488 -8.092 54 H CYS 8 H CYS 8 -3.887 -3.699 -8.134 55 HA CYS 8 HA CYS 8 -5.021 -3.599 -10.809 56 1HB CYS 8 2HB CYS 8 -2.594 -2.899 -9.706 57 2HB CYS 8 3HB CYS 8 -2.206 -4.508 -10.274 58 H TYR 9 H TYR 9 -3.454 -6.097 -8.805 59 HA TYR 9 HA TYR 9 -3.853 -8.270 -10.578 60 1HB TYR 9 2HB TYR 9 -2.506 -8.044 -8.364 61 2HB TYR 9 3HB TYR 9 -3.990 -8.401 -7.520 62 HD1 TYR 9 HD1 TYR 9 -5.145 -10.644 -7.913 63 HD2 TYR 9 HD2 TYR 9 -1.289 -9.668 -9.591 64 HE1 TYR 9 HE1 TYR 9 -4.593 -13.059 -8.021 65 HE2 TYR 9 HE2 TYR 9 -0.696 -12.106 -9.543 66 HH TYR 9 HH TYR 9 -1.901 -14.173 -9.888 67 H ASP 10 H ASP 10 -6.010 -7.352 -7.840 68 HA ASP 10 HA ASP 10 -8.037 -9.306 -8.390 69 1HB ASP 10 2HB ASP 10 -7.629 -7.720 -6.345 70 2HB ASP 10 3HB ASP 10 -8.654 -6.568 -7.185 71 H THR 11 H THR 11 -7.885 -5.946 -9.330 72 HA THR 11 HA THR 11 -10.276 -5.859 -10.973 73 HB THR 11 HB THR 11 -7.900 -3.964 -11.098 74 HG1 THR 11 1HG THR 11 -8.511 -3.704 -9.188 75 1HG2 THR 11 1HG2 THR 11 -9.485 -2.291 -11.877 76 2HG2 THR 11 2HG2 THR 11 -9.387 -3.628 -13.024 77 3HG2 THR 11 3HG2 THR 11 -10.797 -3.491 -11.937 78 H CYS 12 H CYS 12 -6.792 -6.239 -11.900 79 HA CYS 12 HA CYS 12 -7.265 -6.546 -14.734 80 1HB CYS 12 2HB CYS 12 -4.954 -6.159 -13.681 81 2HB CYS 12 3HB CYS 12 -5.035 -7.827 -13.109 82 H HIS 13 H HIS 13 -7.251 -8.871 -11.921 83 HA HIS 13 HA HIS 13 -7.896 -11.153 -13.496 84 1HB HIS 13 2HB HIS 13 -7.437 -10.893 -10.854 85 2HB HIS 13 3HB HIS 13 -9.188 -10.777 -10.805 86 HD1 HIS 13 HD1 HIS 13 -9.639 -13.174 -9.840 87 HD2 HIS 13 HD2 HIS 13 -6.760 -12.931 -12.896 88 HE1 HIS 13 HE1 HIS 13 -8.795 -15.590 -10.253 89 HE2 HIS 13 HE2 HIS 13 -7.162 -15.441 -12.243 90 H LYS 14 H LYS 14 -10.039 -8.711 -12.235 91 HA LYS 14 HA LYS 14 -12.503 -9.850 -13.225 92 1HB LYS 14 2HB LYS 14 -11.700 -7.167 -12.239 93 2HB LYS 14 3HB LYS 14 -13.035 -7.200 -13.425 94 1HG LYS 14 2HG LYS 14 -14.268 -8.811 -12.106 95 2HG LYS 14 3HG LYS 14 -12.967 -8.897 -10.889 96 1HD LYS 14 2HD LYS 14 -13.253 -6.636 -10.250 97 2HD LYS 14 3HD LYS 14 -14.166 -6.230 -11.718 98 1HE LYS 14 2HE LYS 14 -15.562 -8.373 -10.448 99 2HE LYS 14 3HE LYS 14 -15.122 -7.237 -9.167 100 1HZ LYS 14 1HZ LYS 14 -16.994 -6.188 -9.925 101 2HZ LYS 14 2HZ LYS 14 -16.003 -5.586 -11.086 102 3HZ LYS 14 3HZ LYS 14 -16.940 -6.880 -11.417 103 H GLU 15 H GLU 15 -10.652 -7.244 -14.907 104 HA GLU 15 HA GLU 15 -11.997 -7.623 -17.435 105 1HB GLU 15 2HB GLU 15 -10.630 -5.641 -16.628 106 2HB GLU 15 3HB GLU 15 -9.190 -6.588 -17.008 107 1HG GLU 15 2HG GLU 15 -10.807 -6.750 -19.348 108 2HG GLU 15 3HG GLU 15 -11.084 -5.123 -18.761 109 H CYS 16 H CYS 16 -9.203 -9.291 -16.139 110 HA CYS 16 HA CYS 16 -8.481 -10.614 -18.528 111 1HB CYS 16 2HB CYS 16 -7.051 -10.351 -16.568 112 2HB CYS 16 3HB CYS 16 -7.999 -11.519 -15.667 113 H SER 17 H SER 17 -10.194 -11.902 -15.668 114 HA SER 17 HA SER 17 -11.071 -14.397 -16.976 115 1HB SER 17 2HB SER 17 -11.055 -13.429 -14.338 116 2HB SER 17 3HB SER 17 -12.763 -13.547 -14.773 117 HG SER 17 HG SER 17 -12.543 -15.632 -15.003 118 H ASP 18 H ASP 18 -12.428 -11.129 -16.860 119 HA ASP 18 HA ASP 18 -15.091 -11.492 -17.855 120 1HB ASP 18 2HB ASP 18 -14.429 -9.333 -17.132 121 2HB ASP 18 3HB ASP 18 -12.993 -9.372 -18.141 122 H LYS 19 H LYS 19 -11.948 -11.343 -19.679 123 HA LYS 19 HA LYS 19 -13.119 -11.685 -22.183 124 1HB LYS 19 2HB LYS 19 -10.473 -11.785 -20.908 125 2HB LYS 19 3HB LYS 19 -10.597 -13.029 -22.127 126 1HG LYS 19 2HG LYS 19 -11.634 -10.354 -22.991 127 2HG LYS 19 3HG LYS 19 -9.962 -10.299 -22.466 128 1HD LYS 19 2HD LYS 19 -9.161 -11.535 -24.182 129 2HD LYS 19 3HD LYS 19 -10.588 -12.601 -24.256 130 1HE LYS 19 2HE LYS 19 -11.944 -10.838 -25.196 131 2HE LYS 19 3HE LYS 19 -10.574 -9.707 -25.162 132 1HZ LYS 19 1HZ LYS 19 -9.392 -11.269 -26.622 133 2HZ LYS 19 2HZ LYS 19 -10.703 -12.259 -26.669 134 3HZ LYS 19 3HZ LYS 19 -10.786 -10.760 -27.350 135 H GLY 20 H GLY 20 -13.377 -13.846 -19.728 136 1HA GLY 20 2HA GLY 20 -14.453 -15.850 -19.592 137 2HA GLY 20 3HA GLY 20 -14.413 -16.066 -21.351 138 H ASN 21 H ASN 21 -11.436 -15.345 -19.676 139 HA ASN 21 HA ASN 21 -10.256 -17.850 -20.551 140 1HB ASN 21 2HB ASN 21 -8.926 -15.916 -18.746 141 2HB ASN 21 3HB ASN 21 -8.218 -16.998 -19.928 142 1HD2 ASN 21 1HD2 ASN 21 -7.899 -13.969 -19.443 143 2HD2 ASN 21 2HD2 ASN 21 -8.467 -13.319 -20.926 144 H GLY 22 H GLY 22 -8.697 -18.864 -18.834 145 1HA GLY 22 2HA GLY 22 -10.391 -20.093 -16.735 146 2HA GLY 22 3HA GLY 22 -8.714 -20.502 -17.076 147 H PHE 23 H PHE 23 -10.595 -19.123 -14.783 148 HA PHE 23 HA PHE 23 -9.544 -16.917 -13.630 149 1HB PHE 23 2HB PHE 23 -11.178 -18.871 -12.683 150 2HB PHE 23 3HB PHE 23 -9.739 -19.319 -11.773 151 HD1 PHE 23 HD1 PHE 23 -9.919 -18.532 -9.483 152 HD2 PHE 23 HD2 PHE 23 -11.520 -16.132 -12.692 153 HE1 PHE 23 HE1 PHE 23 -10.685 -16.849 -7.862 154 HE2 PHE 23 HE2 PHE 23 -12.239 -14.433 -11.086 155 HZ PHE 23 HZ PHE 23 -11.859 -14.798 -8.631 156 H THR 24 H THR 24 -7.941 -19.991 -12.812 157 HA THR 24 HA THR 24 -5.549 -19.017 -11.574 158 HB THR 24 HB THR 24 -6.399 -21.531 -12.958 159 HG1 THR 24 1HG THR 24 -6.585 -20.856 -10.615 160 1HG2 THR 24 1HG2 THR 24 -4.179 -22.627 -12.390 161 2HG2 THR 24 2HG2 THR 24 -4.237 -21.629 -13.848 162 3HG2 THR 24 3HG2 THR 24 -3.466 -20.998 -12.367 163 H PHE 25 H PHE 25 -5.883 -19.924 -15.029 164 HA PHE 25 HA PHE 25 -3.279 -19.134 -15.898 165 1HB PHE 25 2HB PHE 25 -4.750 -20.478 -17.304 166 2HB PHE 25 3HB PHE 25 -5.991 -19.248 -17.301 167 HD1 PHE 25 HD1 PHE 25 -5.952 -17.352 -18.770 168 HD2 PHE 25 HD2 PHE 25 -2.478 -19.926 -18.427 169 HE1 PHE 25 HE1 PHE 25 -5.019 -16.375 -20.827 170 HE2 PHE 25 HE2 PHE 25 -1.513 -18.891 -20.442 171 HZ PHE 25 HZ PHE 25 -2.786 -17.143 -21.681 172 H CYS 26 H CYS 26 -6.325 -17.255 -15.745 173 HA CYS 26 HA CYS 26 -5.283 -14.835 -16.670 174 1HB CYS 26 2HB CYS 26 -7.764 -15.850 -15.413 175 2HB CYS 26 3HB CYS 26 -7.380 -14.237 -14.855 176 H GLU 27 H GLU 27 -5.286 -16.281 -13.413 177 HA GLU 27 HA GLU 27 -4.374 -13.944 -11.979 178 1HB GLU 27 2HB GLU 27 -4.980 -16.749 -11.417 179 2HB GLU 27 3HB GLU 27 -3.412 -16.302 -10.742 180 1HG GLU 27 2HG GLU 27 -4.799 -14.166 -9.909 181 2HG GLU 27 3HG GLU 27 -6.156 -15.240 -10.143 182 H MET 28 H MET 28 -2.616 -16.888 -12.980 183 HA MET 28 HA MET 28 0.011 -16.095 -12.491 184 1HB MET 28 2HB MET 28 -1.242 -18.284 -13.736 185 2HB MET 28 3HB MET 28 -0.301 -17.590 -15.053 186 1HG MET 28 2HG MET 28 1.738 -17.735 -13.695 187 2HG MET 28 3HG MET 28 0.802 -18.391 -12.345 188 1HE MET 28 1HE MET 28 3.431 -19.506 -13.897 189 2HE MET 28 2HE MET 28 3.153 -20.914 -14.948 190 3HE MET 28 3HE MET 28 2.827 -19.274 -15.555 191 H LYS 29 H LYS 29 -1.959 -15.162 -15.167 192 HA LYS 29 HA LYS 29 0.185 -13.690 -16.557 193 1HB LYS 29 2HB LYS 29 -1.924 -14.913 -17.603 194 2HB LYS 29 3HB LYS 29 -2.792 -13.454 -17.133 195 1HG LYS 29 2HG LYS 29 -1.013 -12.098 -18.302 196 2HG LYS 29 3HG LYS 29 -0.195 -13.599 -18.771 197 1HD LYS 29 2HD LYS 29 -1.616 -14.090 -20.409 198 2HD LYS 29 3HD LYS 29 -3.063 -13.575 -19.510 199 1HE LYS 29 2HE LYS 29 -3.006 -11.434 -20.216 200 2HE LYS 29 3HE LYS 29 -1.247 -11.337 -20.204 201 1HZ LYS 29 1HZ LYS 29 -2.807 -12.732 -22.295 202 2HZ LYS 29 2HZ LYS 29 -2.119 -11.237 -22.425 203 3HZ LYS 29 3HZ LYS 29 -1.173 -12.572 -22.241 204 H CYS 30 H CYS 30 -2.834 -12.676 -14.950 205 HA CYS 30 HA CYS 30 -2.616 -9.897 -14.681 206 1HB CYS 30 2HB CYS 30 -3.637 -11.916 -12.688 207 2HB CYS 30 3HB CYS 30 -3.892 -10.142 -12.653 208 H ASP 31 H ASP 31 -0.979 -12.327 -12.797 209 HA ASP 31 HA ASP 31 0.407 -10.796 -10.813 210 1HB ASP 31 2HB ASP 31 0.088 -13.413 -11.296 211 2HB ASP 31 3HB ASP 31 1.603 -13.261 -12.176 212 H THR 32 H THR 32 1.696 -11.980 -13.796 213 HA THR 32 HA THR 32 3.918 -10.035 -13.836 214 HB THR 32 HB THR 32 3.108 -12.355 -15.565 215 HG1 THR 32 1HG THR 32 4.532 -13.132 -14.392 216 1HG2 THR 32 1HG2 THR 32 5.124 -10.260 -16.489 217 2HG2 THR 32 2HG2 THR 32 5.079 -11.960 -17.085 218 3HG2 THR 32 3HG2 THR 32 3.674 -10.893 -17.331 219 H ASP 33 H ASP 33 0.621 -9.886 -15.057 220 HA ASP 33 HA ASP 33 0.900 -8.088 -17.189 221 1HB ASP 33 2HB ASP 33 -1.175 -9.304 -16.607 222 2HB ASP 33 3HB ASP 33 -1.323 -8.329 -15.130 223 H CYS 34 H CYS 34 -0.129 -7.241 -13.943 224 HA CYS 34 HA CYS 34 0.653 -4.412 -14.233 225 1HB CYS 34 2HB CYS 34 -0.602 -5.942 -11.928 226 2HB CYS 34 3HB CYS 34 -0.269 -4.200 -11.958 227 H SER 35 H SER 35 2.808 -6.147 -14.427 228 HA SER 35 HA SER 35 4.453 -5.112 -12.257 229 1HB SER 35 2HB SER 35 3.633 -7.418 -11.581 230 2HB SER 35 3HB SER 35 4.730 -8.073 -12.851 231 HG SER 35 HG SER 35 5.807 -7.865 -10.909 232 H VAL 36 H VAL 36 6.777 -5.000 -13.157 233 HA VAL 36 HA VAL 36 7.106 -5.562 -15.979 234 HB VAL 36 HB VAL 36 9.360 -4.559 -14.317 235 1HG1 VAL 36 1HG1 VAL 36 10.265 -4.417 -16.403 236 2HG1 VAL 36 2HG1 VAL 36 8.709 -4.660 -17.208 237 3HG1 VAL 36 3HG1 VAL 36 9.198 -3.052 -16.691 238 1HG2 VAL 36 1HG2 VAL 36 8.512 -2.183 -14.718 239 2HG2 VAL 36 2HG2 VAL 36 6.916 -2.935 -15.046 240 3HG2 VAL 36 3HG2 VAL 36 7.711 -3.140 -13.466 241 H LYS 37 H LYS 37 9.575 -6.403 -16.367 242 HA LYS 37 HA LYS 37 10.371 -8.602 -14.682 243 1HB LYS 37 2HB LYS 37 10.008 -10.458 -16.171 244 2HB LYS 37 3HB LYS 37 8.470 -9.692 -15.812 245 1HG LYS 37 2HG LYS 37 8.150 -8.890 -17.953 246 2HG LYS 37 3HG LYS 37 9.859 -8.763 -18.321 247 1HD LYS 37 2HD LYS 37 9.116 -11.571 -17.850 248 2HD LYS 37 3HD LYS 37 8.079 -10.850 -19.073 249 1HE LYS 37 2HE LYS 37 9.775 -10.638 -20.602 250 2HE LYS 37 3HE LYS 37 10.915 -10.068 -19.383 251 1HZ LYS 37 1HZ LYS 37 11.722 -12.097 -20.122 252 2HZ LYS 37 2HZ LYS 37 11.223 -12.287 -18.614 253 3HZ LYS 37 3HZ LYS 37 10.303 -12.918 -19.837 254 H ASP 38 H ASP 38 12.042 -10.005 -16.043 255 HA ASP 38 HA ASP 38 14.062 -8.168 -17.189 256 1HB ASP 38 2HB ASP 38 14.242 -10.340 -15.421 257 2HB ASP 38 3HB ASP 38 14.825 -11.009 -16.945 258 H VAL 39 H VAL 39 13.993 -7.828 -19.334 259 HA VAL 39 HA VAL 39 13.322 -10.064 -21.212 260 HB VAL 39 HB VAL 39 11.713 -8.201 -21.105 261 1HG1 VAL 39 1HG1 VAL 39 12.074 -6.048 -21.617 262 2HG1 VAL 39 2HG1 VAL 39 13.769 -6.406 -21.178 263 3HG1 VAL 39 3HG1 VAL 39 13.280 -6.414 -22.879 264 1HG2 VAL 39 1HG2 VAL 39 11.404 -9.570 -22.893 265 2HG2 VAL 39 2HG2 VAL 39 11.742 -8.052 -23.760 266 3HG2 VAL 39 3HG2 VAL 39 13.012 -9.268 -23.587 267 H LYS 40 H LYS 40 15.645 -10.464 -20.484 268 HA LYS 40 HA LYS 40 17.799 -9.015 -21.378 269 1HB LYS 40 2HB LYS 40 17.602 -12.048 -21.564 270 2HB LYS 40 3HB LYS 40 19.101 -11.103 -21.634 271 1HG LYS 40 2HG LYS 40 18.361 -10.147 -19.316 272 2HG LYS 40 3HG LYS 40 17.202 -11.475 -19.308 273 1HD LYS 40 2HD LYS 40 18.812 -12.675 -18.345 274 2HD LYS 40 3HD LYS 40 19.519 -12.841 -19.955 275 1HE LYS 40 2HE LYS 40 21.231 -11.356 -19.519 276 2HE LYS 40 3HE LYS 40 20.202 -10.310 -18.531 277 1HZ LYS 40 1HZ LYS 40 21.272 -12.896 -17.590 278 2HZ LYS 40 2HZ LYS 40 21.854 -11.420 -17.150 279 3HZ LYS 40 3HZ LYS 40 20.338 -11.856 -16.728 280 H GLU 41 H GLU 41 18.423 -8.226 -23.168 281 HA GLU 41 HA GLU 41 17.746 -9.334 -25.885 282 1HB GLU 41 2HB GLU 41 17.621 -6.644 -24.567 283 2HB GLU 41 3HB GLU 41 18.061 -6.682 -26.285 284 1HG GLU 41 2HG GLU 41 16.092 -7.677 -26.969 285 2HG GLU 41 3HG GLU 41 15.659 -8.277 -25.369 286 H LYS 42 H LYS 42 19.923 -10.100 -24.422 287 HA LYS 42 HA LYS 42 22.187 -9.327 -26.218 288 1HB LYS 42 2HB LYS 42 22.357 -8.542 -23.717 289 2HB LYS 42 3HB LYS 42 22.729 -10.240 -23.362 290 1HG LYS 42 2HG LYS 42 24.623 -10.149 -24.972 291 2HG LYS 42 3HG LYS 42 24.155 -8.497 -25.445 292 1HD LYS 42 2HD LYS 42 24.444 -7.744 -23.103 293 2HD LYS 42 3HD LYS 42 25.053 -9.358 -22.677 294 1HE LYS 42 2HE LYS 42 27.084 -8.936 -23.503 295 2HE LYS 42 3HE LYS 42 26.432 -8.378 -25.043 296 1HZ LYS 42 1HZ LYS 42 26.482 -6.218 -24.383 297 2HZ LYS 42 2HZ LYS 42 26.201 -6.526 -22.798 298 3HZ LYS 42 3HZ LYS 42 27.708 -6.737 -23.423 299 H LEU 43 H LEU 43 20.628 -10.911 -27.193 300 HA LEU 43 HA LEU 43 20.906 -13.684 -26.794 301 1HB LEU 43 2HB LEU 43 19.935 -11.924 -28.959 302 2HB LEU 43 3HB LEU 43 20.936 -13.176 -29.629 303 HG LEU 43 HG LEU 43 19.293 -14.513 -27.750 304 1HD1 LEU 43 1HD1 LEU 43 17.260 -13.295 -29.541 305 2HD1 LEU 43 2HD1 LEU 43 17.161 -13.843 -27.857 306 3HD1 LEU 43 3HD1 LEU 43 17.857 -12.258 -28.229 307 1HD2 LEU 43 1HD2 LEU 43 18.760 -15.944 -29.405 308 2HD2 LEU 43 2HD2 LEU 43 18.596 -14.692 -30.659 309 3HD2 LEU 43 3HD2 LEU 43 20.209 -15.216 -30.112 310 H GLU 44 H GLU 44 22.191 -15.231 -28.064 311 HA GLU 44 HA GLU 44 24.916 -14.845 -27.745 312 1HB GLU 44 2HB GLU 44 23.241 -16.853 -29.198 313 2HB GLU 44 3HB GLU 44 24.875 -16.686 -29.812 314 1HG GLU 44 2HG GLU 44 25.378 -18.229 -28.308 315 2HG GLU 44 3HG GLU 44 25.547 -16.858 -27.219 316 H ASN 45 H ASN 45 26.610 -15.033 -29.344 317 HA ASN 45 HA ASN 45 26.355 -13.492 -31.820 318 1HB ASN 45 2HB ASN 45 26.718 -11.985 -29.342 319 2HB ASN 45 3HB ASN 45 28.193 -11.839 -30.288 320 1HD2 ASN 45 1HD2 ASN 45 24.971 -10.729 -30.018 321 2HD2 ASN 45 2HD2 ASN 45 25.083 -9.804 -31.526 322 H TYR 46 H TYR 46 28.528 -14.278 -29.292 323 HA TYR 46 HA TYR 46 31.073 -14.508 -30.359 324 1HB TYR 46 2HB TYR 46 29.655 -15.883 -28.147 325 2HB TYR 46 3HB TYR 46 30.998 -16.792 -28.820 326 HD1 TYR 46 HD1 TYR 46 33.186 -15.338 -29.400 327 HD2 TYR 46 HD2 TYR 46 30.286 -14.585 -26.284 328 HE1 TYR 46 HE1 TYR 46 34.900 -14.082 -28.125 329 HE2 TYR 46 HE2 TYR 46 32.021 -13.371 -24.980 330 HH TYR 46 HH TYR 46 35.225 -12.620 -26.310 331 H LYS 47 H LYS 47 31.569 -15.203 -32.229 332 HA LYS 47 HA LYS 47 30.284 -17.635 -33.349 333 1HB LYS 47 2HB LYS 47 30.872 -16.893 -35.510 334 2HB LYS 47 3HB LYS 47 30.274 -15.503 -34.618 335 1HG LYS 47 2HG LYS 47 32.917 -15.165 -34.121 336 2HG LYS 47 3HG LYS 47 33.052 -16.117 -35.615 337 1HD LYS 47 2HD LYS 47 31.546 -14.463 -36.748 338 2HD LYS 47 3HD LYS 47 31.443 -13.567 -35.208 339 1HE LYS 47 2HE LYS 47 33.933 -13.387 -35.197 340 2HE LYS 47 3HE LYS 47 33.980 -14.078 -36.826 341 1HZ LYS 47 1HZ LYS 47 33.880 -11.498 -36.528 342 2HZ LYS 47 2HZ LYS 47 32.935 -12.176 -37.691 343 3HZ LYS 47 3HZ LYS 47 32.283 -11.733 -36.255 344 HA PRO 48 HA PRO 48 33.941 -20.031 -32.678 345 1HB PRO 48 2HB PRO 48 33.871 -21.808 -34.801 346 2HB PRO 48 3HB PRO 48 32.895 -21.926 -33.309 347 1HG PRO 48 2HG PRO 48 31.992 -21.136 -36.028 348 2HG PRO 48 3HG PRO 48 31.064 -21.798 -34.650 349 1HD PRO 48 2HD PRO 48 31.316 -19.069 -35.490 350 2HD PRO 48 3HD PRO 48 30.418 -19.700 -34.066 351 H LYS 49 H LYS 49 35.976 -20.619 -33.771 352 HA LYS 49 HA LYS 49 36.833 -18.868 -36.012 353 1HB LYS 49 2HB LYS 49 37.573 -17.999 -33.711 354 2HB LYS 49 3HB LYS 49 38.552 -19.456 -33.555 355 1HG LYS 49 2HG LYS 49 38.877 -17.855 -36.088 356 2HG LYS 49 3HG LYS 49 39.420 -17.083 -34.597 357 1HD LYS 49 2HD LYS 49 41.009 -18.761 -34.123 358 2HD LYS 49 3HD LYS 49 40.349 -19.885 -35.310 359 1HE LYS 49 2HE LYS 49 41.629 -19.136 -36.918 360 2HE LYS 49 3HE LYS 49 40.964 -17.512 -36.771 361 1HZ LYS 49 1HZ LYS 49 42.684 -16.891 -35.333 362 2HZ LYS 49 2HZ LYS 49 43.018 -18.443 -34.885 363 3HZ LYS 49 3HZ LYS 49 43.466 -17.912 -36.369 364 H ASN 50 H ASN 50 38.486 -19.744 -37.348 365 HA ASN 50 HA ASN 50 39.765 -22.304 -36.984 366 1HB ASN 50 2HB ASN 50 37.333 -22.704 -37.788 367 2HB ASN 50 3HB ASN 50 37.822 -21.978 -39.324 368 1HD2 ASN 50 1HD2 ASN 50 37.648 -24.924 -37.498 369 2HD2 ASN 50 2HD2 ASN 50 38.759 -25.753 -38.622 Start of MODEL 25 1 1H ASP 1 H1 ASP 1 1.113 -0.923 0.224 2 2H ASP 1 H2 ASP 1 0.486 0.575 -0.096 3 3H ASP 1 H3 ASP 1 1.897 0.438 0.756 4 HA ASP 1 HA ASP 1 1.590 0.600 -2.024 5 1HB ASP 1 2HB ASP 1 3.971 0.131 -0.192 6 2HB ASP 1 3HB ASP 1 4.137 0.435 -1.937 7 H GLU 2 H GLU 2 3.359 -0.840 -3.303 8 HA GLU 2 HA GLU 2 2.752 -3.727 -2.766 9 1HB GLU 2 2HB GLU 2 3.103 -3.678 -5.423 10 2HB GLU 2 3HB GLU 2 1.539 -3.481 -4.656 11 1HG GLU 2 2HG GLU 2 1.740 -1.828 -6.425 12 2HG GLU 2 3HG GLU 2 1.686 -1.015 -4.876 13 H ALA 3 H ALA 3 4.538 -4.768 -2.335 14 HA ALA 3 HA ALA 3 6.875 -5.004 -3.810 15 1HB ALA 3 1HB ALA 3 7.056 -2.525 -2.105 16 2HB ALA 3 2HB ALA 3 8.535 -3.500 -2.376 17 3HB ALA 3 3HB ALA 3 7.678 -2.830 -3.756 18 H GLN 4 H GLN 4 7.708 -4.008 -0.603 19 HA GLN 4 HA GLN 4 8.655 -6.430 0.274 20 1HB GLN 4 2HB GLN 4 8.781 -5.463 2.411 21 2HB GLN 4 3HB GLN 4 8.716 -4.059 1.334 22 1HG GLN 4 2HG GLN 4 6.148 -4.072 1.748 23 2HG GLN 4 3HG GLN 4 6.484 -5.262 3.025 24 1HE2 GLN 4 1HE2 GLN 4 5.561 -3.833 4.562 25 2HE2 GLN 4 2HE2 GLN 4 6.514 -2.401 5.041 26 H PHE 5 H PHE 5 5.357 -5.439 0.147 27 HA PHE 5 HA PHE 5 4.260 -7.683 1.698 28 1HB PHE 5 2HB PHE 5 3.321 -5.297 1.587 29 2HB PHE 5 3HB PHE 5 2.881 -5.619 -0.090 30 HD1 PHE 5 HD1 PHE 5 1.734 -5.700 3.233 31 HD2 PHE 5 HD2 PHE 5 1.420 -7.929 -0.485 32 HE1 PHE 5 HE1 PHE 5 -0.397 -6.653 3.910 33 HE2 PHE 5 HE2 PHE 5 -0.638 -8.948 0.305 34 HZ PHE 5 HZ PHE 5 -1.563 -8.372 2.488 35 H LYS 6 H LYS 6 4.444 -6.612 -1.701 36 HA LYS 6 HA LYS 6 2.861 -8.799 -2.784 37 1HB LYS 6 2HB LYS 6 3.343 -7.895 -4.814 38 2HB LYS 6 3HB LYS 6 3.687 -6.493 -3.843 39 1HG LYS 6 2HG LYS 6 5.647 -6.413 -4.950 40 2HG LYS 6 3HG LYS 6 6.216 -7.663 -3.905 41 1HD LYS 6 2HD LYS 6 4.738 -8.649 -6.291 42 2HD LYS 6 3HD LYS 6 6.276 -7.807 -6.555 43 1HE LYS 6 2HE LYS 6 6.845 -9.531 -4.416 44 2HE LYS 6 3HE LYS 6 5.709 -10.480 -5.372 45 1HZ LYS 6 1HZ LYS 6 8.424 -9.893 -5.877 46 2HZ LYS 6 2HZ LYS 6 7.426 -10.899 -6.720 47 3HZ LYS 6 3HZ LYS 6 7.516 -9.307 -7.116 48 H GLU 7 H GLU 7 6.168 -8.486 -1.682 49 HA GLU 7 HA GLU 7 6.971 -11.027 -2.871 50 1HB GLU 7 2HB GLU 7 8.288 -8.858 -1.272 51 2HB GLU 7 3HB GLU 7 8.894 -10.502 -1.022 52 1HG GLU 7 2HG GLU 7 9.054 -10.719 -3.566 53 2HG GLU 7 3HG GLU 7 8.795 -8.975 -3.643 54 H CYS 8 H CYS 8 5.643 -9.890 0.189 55 HA CYS 8 HA CYS 8 6.245 -12.428 1.543 56 1HB CYS 8 2HB CYS 8 5.632 -9.889 2.431 57 2HB CYS 8 3HB CYS 8 4.039 -10.637 2.413 58 H TYR 9 H TYR 9 3.431 -10.871 -0.067 59 HA TYR 9 HA TYR 9 1.615 -13.023 0.368 60 1HB TYR 9 2HB TYR 9 1.296 -10.589 -0.527 61 2HB TYR 9 3HB TYR 9 1.778 -11.212 -2.099 62 HD1 TYR 9 HD1 TYR 9 0.346 -12.945 -3.274 63 HD2 TYR 9 HD2 TYR 9 -0.849 -11.020 0.445 64 HE1 TYR 9 HE1 TYR 9 -2.035 -13.506 -3.713 65 HE2 TYR 9 HE2 TYR 9 -3.209 -11.557 -0.118 66 HH TYR 9 HH TYR 9 -4.385 -13.489 -1.392 67 H ASP 10 H ASP 10 3.660 -12.328 -2.497 68 HA ASP 10 HA ASP 10 2.906 -14.641 -3.977 69 1HB ASP 10 2HB ASP 10 4.356 -12.492 -4.603 70 2HB ASP 10 3HB ASP 10 5.723 -13.490 -4.135 71 H THR 11 H THR 11 5.718 -14.025 -1.900 72 HA THR 11 HA THR 11 6.847 -16.636 -2.096 73 HB THR 11 HB THR 11 7.233 -14.554 0.073 74 HG1 THR 11 1HG THR 11 7.841 -13.675 -1.701 75 1HG2 THR 11 1HG2 THR 11 8.682 -15.917 1.031 76 2HG2 THR 11 2HG2 THR 11 8.354 -17.200 -0.169 77 3HG2 THR 11 3HG2 THR 11 9.620 -15.988 -0.477 78 H CYS 12 H CYS 12 4.722 -15.124 0.414 79 HA CYS 12 HA CYS 12 4.536 -17.366 2.146 80 1HB CYS 12 2HB CYS 12 3.757 -15.087 2.738 81 2HB CYS 12 3HB CYS 12 2.413 -15.258 1.573 82 H HIS 13 H HIS 13 2.691 -16.430 -0.826 83 HA HIS 13 HA HIS 13 0.886 -18.612 -0.783 84 1HB HIS 13 2HB HIS 13 1.188 -16.522 -2.461 85 2HB HIS 13 3HB HIS 13 2.052 -17.746 -3.379 86 HD1 HIS 13 HD1 HIS 13 0.416 -18.442 -5.161 87 HD2 HIS 13 HD2 HIS 13 -1.335 -17.819 -1.368 88 HE1 HIS 13 HE1 HIS 13 -2.055 -19.088 -5.369 89 HE2 HIS 13 HE2 HIS 13 -3.134 -18.735 -3.076 90 H LYS 14 H LYS 14 4.223 -18.436 -1.960 91 HA LYS 14 HA LYS 14 4.307 -21.083 -3.100 92 1HB LYS 14 2HB LYS 14 6.090 -19.022 -3.041 93 2HB LYS 14 3HB LYS 14 6.747 -20.014 -1.728 94 1HG LYS 14 2HG LYS 14 6.507 -22.021 -3.395 95 2HG LYS 14 3HG LYS 14 6.325 -20.755 -4.632 96 1HD LYS 14 2HD LYS 14 8.495 -19.783 -3.962 97 2HD LYS 14 3HD LYS 14 8.639 -20.968 -2.652 98 1HE LYS 14 2HE LYS 14 8.090 -22.352 -5.139 99 2HE LYS 14 3HE LYS 14 9.434 -21.239 -5.408 100 1HZ LYS 14 1HZ LYS 14 9.385 -23.003 -3.045 101 2HZ LYS 14 2HZ LYS 14 9.943 -23.580 -4.471 102 3HZ LYS 14 3HZ LYS 14 10.681 -22.293 -3.748 103 H GLU 15 H GLU 15 5.621 -20.116 0.137 104 HA GLU 15 HA GLU 15 5.820 -22.827 1.097 105 1HB GLU 15 2HB GLU 15 6.992 -20.860 2.049 106 2HB GLU 15 3HB GLU 15 5.450 -20.243 2.617 107 1HG GLU 15 2HG GLU 15 5.733 -23.027 3.498 108 2HG GLU 15 3HG GLU 15 7.233 -22.222 3.807 109 H CYS 16 H CYS 16 3.098 -20.625 0.961 110 HA CYS 16 HA CYS 16 1.433 -22.020 2.768 111 1HB CYS 16 2HB CYS 16 1.050 -19.700 2.101 112 2HB CYS 16 3HB CYS 16 0.653 -20.210 0.454 113 H SER 17 H SER 17 1.053 -21.734 -0.779 114 HA SER 17 HA SER 17 -0.640 -24.042 -1.094 115 1HB SER 17 2HB SER 17 0.475 -22.033 -2.800 116 2HB SER 17 3HB SER 17 1.012 -23.577 -3.428 117 HG SER 17 HG SER 17 -0.929 -23.210 -4.327 118 H ASP 18 H ASP 18 2.872 -23.725 -0.750 119 HA ASP 18 HA ASP 18 3.761 -26.207 -1.815 120 1HB ASP 18 2HB ASP 18 5.456 -24.657 -1.206 121 2HB ASP 18 3HB ASP 18 4.688 -24.365 0.357 122 H LYS 19 H LYS 19 2.249 -25.322 1.355 123 HA LYS 19 HA LYS 19 2.690 -27.864 2.497 124 1HB LYS 19 2HB LYS 19 1.225 -25.346 3.152 125 2HB LYS 19 3HB LYS 19 0.387 -26.786 3.631 126 1HG LYS 19 2HG LYS 19 3.189 -26.998 4.369 127 2HG LYS 19 3HG LYS 19 2.498 -25.457 4.928 128 1HD LYS 19 2HD LYS 19 0.521 -26.827 5.853 129 2HD LYS 19 3HD LYS 19 1.468 -28.278 5.445 130 1HE LYS 19 2HE LYS 19 3.364 -27.189 6.824 131 2HE LYS 19 3HE LYS 19 2.161 -26.013 7.359 132 1HZ LYS 19 1HZ LYS 19 2.555 -28.666 8.264 133 2HZ LYS 19 2HZ LYS 19 1.549 -27.516 8.884 134 3HZ LYS 19 3HZ LYS 19 1.032 -28.517 7.677 135 H GLY 20 H GLY 20 0.843 -27.052 -0.113 136 1HA GLY 20 2HA GLY 20 -0.275 -28.570 -1.495 137 2HA GLY 20 3HA GLY 20 -0.529 -29.669 -0.119 138 H ASN 21 H ASN 21 -1.209 -26.279 0.291 139 HA ASN 21 HA ASN 21 -3.978 -26.846 0.867 140 1HB ASN 21 2HB ASN 21 -2.981 -24.082 0.691 141 2HB ASN 21 3HB ASN 21 -4.070 -24.806 1.876 142 1HD2 ASN 21 1HD2 ASN 21 -1.895 -23.024 2.515 143 2HD2 ASN 21 2HD2 ASN 21 -0.748 -24.031 3.367 144 H GLY 22 H GLY 22 -5.481 -24.896 0.056 145 1HA GLY 22 2HA GLY 22 -5.600 -25.296 -2.916 146 2HA GLY 22 3HA GLY 22 -6.856 -24.520 -1.878 147 H PHE 23 H PHE 23 -4.797 -23.806 -4.283 148 HA PHE 23 HA PHE 23 -3.302 -21.578 -3.821 149 1HB PHE 23 2HB PHE 23 -3.901 -22.628 -6.033 150 2HB PHE 23 3HB PHE 23 -5.458 -21.823 -5.976 151 HD1 PHE 23 HD1 PHE 23 -2.237 -21.617 -7.297 152 HD2 PHE 23 HD2 PHE 23 -5.311 -19.030 -5.623 153 HE1 PHE 23 HE1 PHE 23 -1.256 -19.618 -8.414 154 HE2 PHE 23 HE2 PHE 23 -4.283 -17.114 -6.634 155 HZ PHE 23 HZ PHE 23 -2.282 -17.370 -8.073 156 H THR 24 H THR 24 -6.757 -21.218 -4.592 157 HA THR 24 HA THR 24 -7.056 -18.519 -3.963 158 HB THR 24 HB THR 24 -8.876 -20.864 -4.227 159 HG1 THR 24 1HG THR 24 -9.102 -19.703 -5.965 160 1HG2 THR 24 1HG2 THR 24 -9.978 -20.048 -2.241 161 2HG2 THR 24 2HG2 THR 24 -9.717 -18.350 -2.733 162 3HG2 THR 24 3HG2 THR 24 -10.872 -19.386 -3.606 163 H PHE 25 H PHE 25 -8.015 -21.168 -1.744 164 HA PHE 25 HA PHE 25 -8.417 -19.618 0.533 165 1HB PHE 25 2HB PHE 25 -8.934 -22.005 0.418 166 2HB PHE 25 3HB PHE 25 -7.254 -22.399 0.127 167 HD1 PHE 25 HD1 PHE 25 -5.684 -22.729 1.880 168 HD2 PHE 25 HD2 PHE 25 -9.562 -21.045 2.715 169 HE1 PHE 25 HE1 PHE 25 -5.288 -23.046 4.306 170 HE2 PHE 25 HE2 PHE 25 -9.175 -21.344 5.140 171 HZ PHE 25 HZ PHE 25 -7.030 -22.364 5.939 172 H CYS 26 H CYS 26 -5.326 -20.820 -0.748 173 HA CYS 26 HA CYS 26 -3.717 -20.076 1.433 174 1HB CYS 26 2HB CYS 26 -3.346 -21.088 -1.323 175 2HB CYS 26 3HB CYS 26 -2.178 -19.852 -0.916 176 H GLU 27 H GLU 27 -4.999 -18.333 -1.400 177 HA GLU 27 HA GLU 27 -3.365 -15.960 -1.035 178 1HB GLU 27 2HB GLU 27 -5.519 -16.912 -2.860 179 2HB GLU 27 3HB GLU 27 -5.874 -15.305 -2.205 180 1HG GLU 27 2HG GLU 27 -3.245 -15.023 -2.851 181 2HG GLU 27 3HG GLU 27 -3.663 -16.284 -3.961 182 H MET 28 H MET 28 -6.888 -16.485 -0.417 183 HA MET 28 HA MET 28 -7.341 -14.181 1.068 184 1HB MET 28 2HB MET 28 -8.946 -16.130 0.408 185 2HB MET 28 3HB MET 28 -8.445 -16.881 1.918 186 1HG MET 28 2HG MET 28 -10.067 -15.700 2.902 187 2HG MET 28 3HG MET 28 -9.085 -14.255 2.696 188 1HE MET 28 1HE MET 28 -12.531 -13.655 2.539 189 2HE MET 28 2HE MET 28 -13.120 -14.860 1.361 190 3HE MET 28 3HE MET 28 -12.158 -15.383 2.756 191 H LYS 29 H LYS 29 -5.513 -16.944 2.051 192 HA LYS 29 HA LYS 29 -5.441 -16.172 4.897 193 1HB LYS 29 2HB LYS 29 -5.464 -18.637 3.889 194 2HB LYS 29 3HB LYS 29 -3.742 -18.342 3.683 195 1HG LYS 29 2HG LYS 29 -3.684 -19.117 5.856 196 2HG LYS 29 3HG LYS 29 -4.038 -17.425 6.256 197 1HD LYS 29 2HD LYS 29 -6.413 -17.871 6.425 198 2HD LYS 29 3HD LYS 29 -6.214 -19.503 5.754 199 1HE LYS 29 2HE LYS 29 -4.788 -20.120 7.697 200 2HE LYS 29 3HE LYS 29 -5.061 -18.516 8.388 201 1HZ LYS 29 1HZ LYS 29 -6.651 -19.991 9.343 202 2HZ LYS 29 2HZ LYS 29 -7.486 -19.064 8.275 203 3HZ LYS 29 3HZ LYS 29 -7.091 -20.612 7.886 204 H CYS 30 H CYS 30 -2.913 -16.760 2.395 205 HA CYS 30 HA CYS 30 -0.750 -15.549 3.611 206 1HB CYS 30 2HB CYS 30 -1.670 -15.707 0.726 207 2HB CYS 30 3HB CYS 30 -0.135 -14.973 1.171 208 H ASP 31 H ASP 31 -3.577 -14.064 2.092 209 HA ASP 31 HA ASP 31 -2.701 -11.378 1.871 210 1HB ASP 31 2HB ASP 31 -4.999 -12.686 1.143 211 2HB ASP 31 3HB ASP 31 -5.565 -12.073 2.663 212 H THR 32 H THR 32 -4.686 -12.885 4.389 213 HA THR 32 HA THR 32 -4.325 -10.641 6.218 214 HB THR 32 HB THR 32 -5.700 -13.292 6.279 215 HG1 THR 32 1HG THR 32 -7.360 -11.956 6.456 216 1HG2 THR 32 1HG2 THR 32 -6.317 -13.056 8.631 217 2HG2 THR 32 2HG2 THR 32 -4.563 -13.242 8.513 218 3HG2 THR 32 3HG2 THR 32 -5.251 -11.624 8.773 219 H ASP 33 H ASP 33 -2.524 -13.562 5.564 220 HA ASP 33 HA ASP 33 -1.141 -13.948 7.995 221 1HB ASP 33 2HB ASP 33 -1.020 -15.565 6.134 222 2HB ASP 33 3HB ASP 33 -0.264 -14.337 5.125 223 H CYS 34 H CYS 34 0.251 -12.465 5.087 224 HA CYS 34 HA CYS 34 1.967 -10.794 6.843 225 1HB CYS 34 2HB CYS 34 2.608 -12.307 4.637 226 2HB CYS 34 3HB CYS 34 2.388 -10.740 3.891 227 H SER 35 H SER 35 0.147 -9.484 7.445 228 HA SER 35 HA SER 35 -0.049 -7.065 5.931 229 1HB SER 35 2HB SER 35 -2.275 -7.025 5.152 230 2HB SER 35 3HB SER 35 -1.594 -8.548 4.582 231 HG SER 35 HG SER 35 -3.698 -8.689 5.503 232 H VAL 36 H VAL 36 0.455 -5.984 7.735 233 HA VAL 36 HA VAL 36 -0.965 -6.509 10.161 234 HB VAL 36 HB VAL 36 0.672 -4.052 9.779 235 1HG1 VAL 36 1HG1 VAL 36 0.342 -4.016 12.012 236 2HG1 VAL 36 2HG1 VAL 36 -0.350 -5.658 12.030 237 3HG1 VAL 36 3HG1 VAL 36 1.387 -5.437 12.149 238 1HG2 VAL 36 1HG2 VAL 36 1.712 -6.885 9.665 239 2HG2 VAL 36 2HG2 VAL 36 2.187 -5.448 8.727 240 3HG2 VAL 36 3HG2 VAL 36 2.707 -5.622 10.407 241 H LYS 37 H LYS 37 -1.536 -4.123 11.229 242 HA LYS 37 HA LYS 37 -4.117 -3.492 10.106 243 1HB LYS 37 2HB LYS 37 -2.439 -2.564 12.377 244 2HB LYS 37 3HB LYS 37 -3.312 -1.230 11.654 245 1HG LYS 37 2HG LYS 37 -4.856 -3.787 12.119 246 2HG LYS 37 3HG LYS 37 -4.401 -2.847 13.539 247 1HD LYS 37 2HD LYS 37 -5.523 -0.902 12.782 248 2HD LYS 37 3HD LYS 37 -5.775 -1.544 11.148 249 1HE LYS 37 2HE LYS 37 -7.395 -3.122 11.867 250 2HE LYS 37 3HE LYS 37 -6.907 -2.974 13.559 251 1HZ LYS 37 1HZ LYS 37 -8.618 -1.205 11.998 252 2HZ LYS 37 2HZ LYS 37 -8.713 -1.604 13.591 253 3HZ LYS 37 3HZ LYS 37 -7.628 -0.484 13.082 254 H ASP 38 H ASP 38 -4.899 -1.644 9.108 255 HA ASP 38 HA ASP 38 -2.957 -0.580 7.139 256 1HB ASP 38 2HB ASP 38 -5.529 -1.650 6.841 257 2HB ASP 38 3HB ASP 38 -5.826 0.077 6.824 258 H VAL 39 H VAL 39 -2.374 1.488 7.186 259 HA VAL 39 HA VAL 39 -3.872 3.401 8.946 260 HB VAL 39 HB VAL 39 -1.651 2.581 9.801 261 1HG1 VAL 39 1HG1 VAL 39 0.345 2.906 8.726 262 2HG1 VAL 39 2HG1 VAL 39 -0.640 3.079 7.276 263 3HG1 VAL 39 3HG1 VAL 39 -0.147 4.524 8.146 264 1HG2 VAL 39 1HG2 VAL 39 -2.825 4.615 10.582 265 2HG2 VAL 39 2HG2 VAL 39 -1.059 4.787 10.655 266 3HG2 VAL 39 3HG2 VAL 39 -1.978 5.571 9.348 267 H LYS 40 H LYS 40 -4.994 3.338 6.722 268 HA LYS 40 HA LYS 40 -3.945 4.457 4.457 269 1HB LYS 40 2HB LYS 40 -6.406 3.746 4.957 270 2HB LYS 40 3HB LYS 40 -6.628 5.400 5.527 271 1HG LYS 40 2HG LYS 40 -7.331 5.442 3.265 272 2HG LYS 40 3HG LYS 40 -5.746 6.170 3.208 273 1HD LYS 40 2HD LYS 40 -5.773 3.180 2.868 274 2HD LYS 40 3HD LYS 40 -6.606 4.105 1.626 275 1HE LYS 40 2HE LYS 40 -4.216 5.531 1.933 276 2HE LYS 40 3HE LYS 40 -3.708 3.871 2.251 277 1HZ LYS 40 1HZ LYS 40 -3.570 3.932 -0.015 278 2HZ LYS 40 2HZ LYS 40 -5.154 3.491 0.098 279 3HZ LYS 40 3HZ LYS 40 -4.747 5.061 -0.196 280 H GLU 41 H GLU 41 -3.675 6.525 3.539 281 HA GLU 41 HA GLU 41 -2.613 8.441 5.486 282 1HB GLU 41 2HB GLU 41 -2.654 8.179 2.476 283 2HB GLU 41 3HB GLU 41 -2.266 9.744 3.220 284 1HG GLU 41 2HG GLU 41 -0.441 8.818 4.483 285 2HG GLU 41 3HG GLU 41 -0.874 7.161 4.027 286 H LYS 42 H LYS 42 -3.125 10.743 5.191 287 HA LYS 42 HA LYS 42 -5.962 11.140 5.714 288 1HB LYS 42 2HB LYS 42 -3.652 12.514 6.456 289 2HB LYS 42 3HB LYS 42 -4.244 13.561 5.189 290 1HG LYS 42 2HG LYS 42 -5.413 14.405 6.990 291 2HG LYS 42 3HG LYS 42 -6.590 13.259 6.374 292 1HD LYS 42 2HD LYS 42 -6.627 12.270 8.383 293 2HD LYS 42 3HD LYS 42 -4.988 11.688 8.123 294 1HE LYS 42 2HE LYS 42 -4.007 13.306 9.426 295 2HE LYS 42 3HE LYS 42 -5.202 14.532 9.004 296 1HZ LYS 42 1HZ LYS 42 -6.486 12.497 10.434 297 2HZ LYS 42 2HZ LYS 42 -5.176 12.958 11.304 298 3HZ LYS 42 3HZ LYS 42 -6.305 14.069 10.856 299 H LEU 43 H LEU 43 -7.039 10.505 3.939 300 HA LEU 43 HA LEU 43 -6.679 10.917 1.288 301 1HB LEU 43 2HB LEU 43 -9.317 11.238 2.758 302 2HB LEU 43 3HB LEU 43 -9.176 10.975 1.030 303 HG LEU 43 HG LEU 43 -8.050 8.973 3.038 304 1HD1 LEU 43 1HD1 LEU 43 -10.128 8.593 3.705 305 2HD1 LEU 43 2HD1 LEU 43 -10.862 9.529 2.386 306 3HD1 LEU 43 3HD1 LEU 43 -10.410 7.835 2.136 307 1HD2 LEU 43 1HD2 LEU 43 -7.162 8.203 1.117 308 2HD2 LEU 43 2HD2 LEU 43 -8.782 7.574 0.778 309 3HD2 LEU 43 3HD2 LEU 43 -8.276 9.116 0.081 310 H GLU 44 H GLU 44 -6.542 12.547 -0.114 311 HA GLU 44 HA GLU 44 -6.699 15.259 1.008 312 1HB GLU 44 2HB GLU 44 -4.878 14.126 -0.683 313 2HB GLU 44 3HB GLU 44 -6.005 14.809 -1.862 314 1HG GLU 44 2HG GLU 44 -5.782 16.930 -0.135 315 2HG GLU 44 3HG GLU 44 -4.240 16.156 0.177 316 H ASN 45 H ASN 45 -7.654 16.952 -0.435 317 HA ASN 45 HA ASN 45 -10.032 16.077 -1.970 318 1HB ASN 45 2HB ASN 45 -10.621 16.512 0.549 319 2HB ASN 45 3HB ASN 45 -10.323 18.213 0.196 320 1HD2 ASN 45 1HD2 ASN 45 -12.533 15.680 0.000 321 2HD2 ASN 45 2HD2 ASN 45 -13.750 16.551 -0.973 322 H TYR 46 H TYR 46 -8.565 19.036 -0.612 323 HA TYR 46 HA TYR 46 -7.983 20.050 -3.285 324 1HB TYR 46 2HB TYR 46 -10.516 20.518 -2.277 325 2HB TYR 46 3HB TYR 46 -9.653 21.844 -1.530 326 HD1 TYR 46 HD1 TYR 46 -10.119 20.118 -4.839 327 HD2 TYR 46 HD2 TYR 46 -9.468 23.838 -2.773 328 HE1 TYR 46 HE1 TYR 46 -10.365 21.365 -6.995 329 HE2 TYR 46 HE2 TYR 46 -9.682 25.080 -4.905 330 HH TYR 46 HH TYR 46 -9.797 24.869 -7.166 331 H LYS 47 H LYS 47 -6.672 21.882 -3.221 332 HA LYS 47 HA LYS 47 -5.836 23.021 -0.672 333 1HB LYS 47 2HB LYS 47 -4.451 20.719 -1.496 334 2HB LYS 47 3HB LYS 47 -3.408 22.029 -2.005 335 1HG LYS 47 2HG LYS 47 -4.081 22.948 0.495 336 2HG LYS 47 3HG LYS 47 -4.316 21.220 0.756 337 1HD LYS 47 2HD LYS 47 -1.800 22.341 -0.554 338 2HD LYS 47 3HD LYS 47 -1.967 22.338 1.192 339 1HE LYS 47 2HE LYS 47 -2.438 19.800 -0.433 340 2HE LYS 47 3HE LYS 47 -0.804 20.303 0.014 341 1HZ LYS 47 1HZ LYS 47 -1.617 20.387 2.348 342 2HZ LYS 47 2HZ LYS 47 -3.031 19.711 1.856 343 3HZ LYS 47 3HZ LYS 47 -1.631 18.867 1.705 344 HA PRO 48 HA PRO 48 -5.672 25.854 -4.223 345 1HB PRO 48 2HB PRO 48 -6.926 27.960 -2.974 346 2HB PRO 48 3HB PRO 48 -7.745 26.706 -3.909 347 1HG PRO 48 2HG PRO 48 -7.706 27.055 -0.949 348 2HG PRO 48 3HG PRO 48 -8.863 26.162 -1.981 349 1HD PRO 48 2HD PRO 48 -6.700 25.105 -0.424 350 2HD PRO 48 3HD PRO 48 -7.769 24.209 -1.533 351 H LYS 49 H LYS 49 -4.337 27.582 -4.556 352 HA LYS 49 HA LYS 49 -2.117 27.873 -2.648 353 1HB LYS 49 2HB LYS 49 -1.131 29.330 -4.304 354 2HB LYS 49 3HB LYS 49 -1.711 27.868 -5.092 355 1HG LYS 49 2HG LYS 49 -3.306 28.962 -6.336 356 2HG LYS 49 3HG LYS 49 -3.694 30.123 -5.077 357 1HD LYS 49 2HD LYS 49 -1.591 31.330 -5.453 358 2HD LYS 49 3HD LYS 49 -1.212 30.244 -6.803 359 1HE LYS 49 2HE LYS 49 -3.941 31.515 -6.801 360 2HE LYS 49 3HE LYS 49 -2.590 32.630 -6.987 361 1HZ LYS 49 1HZ LYS 49 -1.993 30.562 -8.657 362 2HZ LYS 49 2HZ LYS 49 -3.606 30.753 -8.880 363 3HZ LYS 49 3HZ LYS 49 -2.580 32.019 -9.123 364 H ASN 50 H ASN 50 -5.105 29.549 -3.192 365 HA ASN 50 HA ASN 50 -4.364 31.673 -1.269 366 1HB ASN 50 2HB ASN 50 -5.779 33.167 -2.456 367 2HB ASN 50 3HB ASN 50 -4.736 32.470 -3.697 368 1HD2 ASN 50 1HD2 ASN 50 -7.856 33.162 -2.862 369 2HD2 ASN 50 2HD2 ASN 50 -8.685 32.117 -4.016
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