NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27547 | 2rno | 11030 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -5 HN GLY -5 1.811 -0.001 0.854 2 HA2 GLY -5 2HA GLY -5 2.729 -0.855 -1.263 3 HA3 GLY -5 3HA GLY -5 1.374 -0.079 -2.068 4 H SER -4 HN SER -4 2.777 1.093 -3.418 5 HA SER -4 HA SER -4 4.416 3.135 -2.082 6 HB2 SER -4 1HB SER -4 5.129 1.429 -4.090 7 HB3 SER -4 2HB SER -4 4.649 2.857 -5.008 8 HG SER -4 HG SER -4 6.837 2.982 -4.455 9 H HIS -3 HN HIS -3 1.471 3.194 -2.483 10 HA HIS -3 HA HIS -3 -0.142 4.711 -3.004 11 HB2 HIS -3 1HB HIS -3 2.177 6.588 -3.501 12 HB3 HIS -3 2HB HIS -3 0.502 7.051 -3.217 13 HD1 HIS -3 1HD HIS -3 -0.039 7.631 -0.875 14 HD2 HIS -3 2HD HIS -3 3.300 5.172 -1.127 15 HE1 HIS -3 1HE HIS -3 0.819 7.418 1.479 16 H MET -2 HN MET -2 0.399 2.970 -5.002 17 HA MET -2 HA MET -2 -0.174 4.587 -7.361 18 HB2 MET -2 1HB MET -2 1.824 2.345 -7.563 19 HB3 MET -2 2HB MET -2 1.462 3.596 -8.745 20 HG2 MET -2 1HG MET -2 2.345 5.228 -6.960 21 HG3 MET -2 2HG MET -2 3.054 3.793 -6.223 22 HE1 MET -2 3HE MET -2 3.649 2.220 -9.294 23 HE2 MET -2 1HE MET -2 5.378 2.476 -9.060 24 HE3 MET -2 2HE MET -2 4.358 2.045 -7.688 25 H ALA -1 HN ALA -1 -2.302 3.764 -7.018 26 HA ALA -1 HA ALA -1 -2.610 0.915 -7.707 27 HB1 ALA -1 1HB ALA -1 -4.969 2.221 -6.596 28 HB2 ALA -1 2HB ALA -1 -4.202 0.695 -6.154 29 HB3 ALA -1 3HB ALA -1 -3.588 2.213 -5.498 30 H SER 1 HN SER 1 -3.040 4.073 -8.802 31 HA SER 1 HA SER 1 -5.393 4.078 -10.222 32 HB2 SER 1 1HB SER 1 -4.239 5.629 -11.813 33 HB3 SER 1 2HB SER 1 -4.005 6.054 -10.117 34 HG SER 1 HG SER 1 -2.141 5.699 -11.882 35 H ALA 2 HN ALA 2 -2.221 2.992 -11.434 36 HA ALA 2 HA ALA 2 -3.188 2.037 -13.906 37 HB1 ALA 2 1HB ALA 2 -0.739 1.008 -12.496 38 HB2 ALA 2 2HB ALA 2 -1.045 1.098 -14.231 39 HB3 ALA 2 3HB ALA 2 -0.793 2.576 -13.303 40 H ASP 3 HN ASP 3 -3.274 0.722 -10.732 41 HA ASP 3 HA ASP 3 -3.544 -2.026 -11.535 42 HB2 ASP 3 1HB ASP 3 -2.663 -1.195 -9.290 43 HB3 ASP 3 2HB ASP 3 -4.340 -0.856 -8.871 44 H LEU 4 HN LEU 4 -5.733 0.555 -10.499 45 HA LEU 4 HA LEU 4 -8.082 -1.043 -10.558 46 HB2 LEU 4 1HB LEU 4 -7.841 1.077 -9.292 47 HB3 LEU 4 2HB LEU 4 -7.839 1.950 -10.823 48 HG LEU 4 HG LEU 4 -10.167 0.201 -10.330 49 HD11 LEU 4 1HD1 LEU 4 -10.371 2.829 -9.025 50 HD12 LEU 4 2HD1 LEU 4 -9.394 1.630 -8.178 51 HD13 LEU 4 3HD1 LEU 4 -11.075 1.276 -8.576 52 HD21 LEU 4 3HD2 LEU 4 -9.835 1.680 -12.323 53 HD22 LEU 4 1HD2 LEU 4 -9.977 3.066 -11.241 54 HD23 LEU 4 2HD2 LEU 4 -11.336 1.959 -11.439 55 H VAL 5 HN VAL 5 -6.522 1.104 -12.890 56 HA VAL 5 HA VAL 5 -8.583 0.947 -14.844 57 HB VAL 5 HB VAL 5 -5.667 1.676 -15.146 58 HG11 VAL 5 1HG1 VAL 5 -7.017 2.916 -17.178 59 HG12 VAL 5 2HG1 VAL 5 -6.064 1.440 -17.337 60 HG13 VAL 5 3HG1 VAL 5 -7.810 1.343 -17.104 61 HG21 VAL 5 3HG2 VAL 5 -8.102 3.448 -14.983 62 HG22 VAL 5 1HG2 VAL 5 -6.998 3.131 -13.645 63 HG23 VAL 5 2HG2 VAL 5 -6.419 3.966 -15.086 64 H SER 6 HN SER 6 -5.408 -0.642 -14.565 65 HA SER 6 HA SER 6 -5.633 -2.218 -16.875 66 HB2 SER 6 1HB SER 6 -4.051 -2.664 -14.335 67 HB3 SER 6 2HB SER 6 -3.869 -3.642 -15.792 68 HG SER 6 HG SER 6 -3.590 -1.367 -16.771 69 H SER 7 HN SER 7 -6.662 -2.769 -13.554 70 HA SER 7 HA SER 7 -7.407 -5.496 -13.955 71 HB2 SER 7 1HB SER 7 -8.077 -3.496 -11.791 72 HB3 SER 7 2HB SER 7 -8.631 -5.170 -11.762 73 HG SER 7 HG SER 7 -6.618 -5.853 -11.425 74 H CYS 8 HN CYS 8 -9.290 -2.490 -13.621 75 HA CYS 8 HA CYS 8 -11.807 -3.622 -14.083 76 HB2 CYS 8 1HB CYS 8 -10.715 -0.840 -14.423 77 HB3 CYS 8 2HB CYS 8 -12.379 -1.219 -14.848 78 HG CYS 8 HG CYS 8 -11.225 -1.993 -11.744 79 H LYS 9 HN LYS 9 -9.427 -2.275 -16.320 80 HA LYS 9 HA LYS 9 -11.042 -2.463 -18.640 81 HB2 LYS 9 1HB LYS 9 -9.180 -1.005 -18.749 82 HB3 LYS 9 2HB LYS 9 -8.069 -2.256 -18.208 83 HG2 LYS 9 1HG LYS 9 -9.414 -3.021 -20.648 84 HG3 LYS 9 2HG LYS 9 -8.567 -1.482 -20.822 85 HD2 LYS 9 1HD LYS 9 -6.572 -2.484 -20.811 86 HD3 LYS 9 2HD LYS 9 -6.980 -3.436 -19.382 87 HE2 LYS 9 1HE LYS 9 -7.416 -5.254 -20.603 88 HE3 LYS 9 2HE LYS 9 -8.387 -4.341 -21.757 89 HZ1 LYS 9 3HZ LYS 9 -5.628 -5.165 -21.921 90 HZ2 LYS 9 1HZ LYS 9 -5.888 -3.552 -22.362 91 HZ3 LYS 9 2HZ LYS 9 -6.722 -4.790 -23.156 92 H ASP 10 HN ASP 10 -8.393 -4.532 -17.452 93 HA ASP 10 HA ASP 10 -8.438 -6.482 -19.395 94 HB2 ASP 10 1HB ASP 10 -6.734 -6.479 -17.687 95 HB3 ASP 10 2HB ASP 10 -7.932 -6.768 -16.428 96 H LYS 11 HN LYS 11 -10.376 -6.368 -16.417 97 HA LYS 11 HA LYS 11 -11.793 -8.769 -16.952 98 HB2 LYS 11 1HB LYS 11 -12.054 -6.517 -15.020 99 HB3 LYS 11 2HB LYS 11 -13.455 -7.552 -15.262 100 HG2 LYS 11 1HG LYS 11 -12.037 -8.238 -13.361 101 HG3 LYS 11 2HG LYS 11 -12.209 -9.491 -14.593 102 HD2 LYS 11 1HD LYS 11 -10.024 -9.356 -15.230 103 HD3 LYS 11 2HD LYS 11 -9.902 -7.640 -14.834 104 HE2 LYS 11 1HE LYS 11 -9.899 -8.213 -12.443 105 HE3 LYS 11 2HE LYS 11 -9.976 -9.923 -12.863 106 HZ1 LYS 11 3HZ LYS 11 -7.703 -8.733 -12.376 107 HZ2 LYS 11 1HZ LYS 11 -7.813 -8.326 -14.015 108 HZ3 LYS 11 2HZ LYS 11 -7.822 -9.951 -13.545 109 H LEU 12 HN LEU 12 -12.805 -5.353 -17.150 110 HA LEU 12 HA LEU 12 -15.329 -5.679 -18.174 111 HB2 LEU 12 1HB LEU 12 -14.590 -3.511 -17.568 112 HB3 LEU 12 2HB LEU 12 -13.261 -3.567 -18.724 113 HG LEU 12 HG LEU 12 -15.603 -3.835 -20.243 114 HD11 LEU 12 1HD1 LEU 12 -16.619 -1.554 -19.527 115 HD12 LEU 12 2HD1 LEU 12 -15.912 -1.937 -17.958 116 HD13 LEU 12 3HD1 LEU 12 -17.095 -3.027 -18.681 117 HD21 LEU 12 3HD2 LEU 12 -13.990 -2.667 -21.316 118 HD22 LEU 12 1HD2 LEU 12 -13.434 -1.869 -19.844 119 HD23 LEU 12 2HD2 LEU 12 -14.883 -1.290 -20.667 120 H ALA 13 HN ALA 13 -12.264 -5.661 -19.945 121 HA ALA 13 HA ALA 13 -13.430 -5.878 -22.527 122 HB1 ALA 13 1HB ALA 13 -11.211 -5.027 -22.351 123 HB2 ALA 13 2HB ALA 13 -10.656 -6.482 -21.522 124 HB3 ALA 13 3HB ALA 13 -11.124 -6.560 -23.220 125 H TYR 14 HN TYR 14 -12.102 -8.249 -20.249 126 HA TYR 14 HA TYR 14 -12.495 -10.485 -21.968 127 HB2 TYR 14 1HB TYR 14 -10.855 -10.476 -20.114 128 HB3 TYR 14 2HB TYR 14 -12.181 -10.425 -18.958 129 HD1 TYR 14 1HD TYR 14 -11.846 -12.447 -22.069 130 HD2 TYR 14 2HD TYR 14 -12.051 -12.454 -17.819 131 HE1 TYR 14 1HE TYR 14 -11.945 -14.904 -22.084 132 HE2 TYR 14 2HE TYR 14 -12.150 -14.912 -17.823 133 HH TYR 14 HH TYR 14 -12.881 -16.718 -20.454 134 H PHE 15 HN PHE 15 -14.608 -8.599 -20.127 135 HA PHE 15 HA PHE 15 -16.574 -10.752 -19.850 136 HB2 PHE 15 1HB PHE 15 -16.355 -7.987 -18.683 137 HB3 PHE 15 2HB PHE 15 -17.875 -8.875 -18.641 138 HD1 PHE 15 1HD PHE 15 -17.259 -11.539 -17.976 139 HD2 PHE 15 2HD PHE 15 -15.337 -7.986 -16.635 140 HE1 PHE 15 1HE PHE 15 -16.520 -12.710 -15.942 141 HE2 PHE 15 2HE PHE 15 -14.594 -9.152 -14.600 142 HZ PHE 15 HZ PHE 15 -15.185 -11.517 -14.251 143 H ARG 16 HN ARG 16 -18.404 -10.854 -21.030 144 HA ARG 16 HA ARG 16 -18.615 -9.645 -23.503 145 HB2 ARG 16 1HB ARG 16 -20.974 -10.566 -21.860 146 HB3 ARG 16 2HB ARG 16 -20.853 -10.502 -23.613 147 HG2 ARG 16 1HG ARG 16 -18.739 -12.120 -22.859 148 HG3 ARG 16 2HG ARG 16 -20.052 -12.585 -21.774 149 HD2 ARG 16 1HD ARG 16 -20.796 -13.861 -23.446 150 HD3 ARG 16 2HD ARG 16 -21.296 -12.359 -24.223 151 HE ARG 16 HE ARG 16 -18.611 -12.818 -24.848 152 HH11 ARG 16 1HH1 ARG 16 -21.745 -14.203 -25.461 153 HH12 ARG 16 2HH1 ARG 16 -21.299 -14.858 -27.001 154 HH21 ARG 16 1HH2 ARG 16 -18.011 -13.676 -26.875 155 HH22 ARG 16 2HH2 ARG 16 -19.174 -14.559 -27.804 156 H ILE 17 HN ILE 17 -20.637 -8.314 -24.173 157 HA ILE 17 HA ILE 17 -20.350 -5.717 -23.316 158 HB ILE 17 HB ILE 17 -22.958 -6.837 -24.336 159 HG12 ILE 17 1HG1 ILE 17 -20.350 -6.354 -25.712 160 HG13 ILE 17 2HG1 ILE 17 -21.528 -7.637 -25.965 161 HG21 ILE 17 1HG2 ILE 17 -22.863 -4.471 -23.496 162 HG22 ILE 17 2HG2 ILE 17 -21.725 -4.131 -24.798 163 HG23 ILE 17 3HG2 ILE 17 -23.367 -4.652 -25.176 164 HD11 ILE 17 3HD1 ILE 17 -21.471 -4.871 -27.058 165 HD12 ILE 17 1HD1 ILE 17 -21.766 -6.404 -27.878 166 HD13 ILE 17 2HD1 ILE 17 -23.018 -5.694 -26.858 167 H LYS 18 HN LYS 18 -22.158 -8.278 -21.850 168 HA LYS 18 HA LYS 18 -24.079 -7.006 -20.373 169 HB2 LYS 18 1HB LYS 18 -22.893 -9.526 -20.365 170 HB3 LYS 18 2HB LYS 18 -22.636 -8.925 -18.732 171 HG2 LYS 18 1HG LYS 18 -24.684 -10.188 -18.831 172 HG3 LYS 18 2HG LYS 18 -25.047 -8.486 -18.534 173 HD2 LYS 18 1HD LYS 18 -25.067 -8.683 -21.289 174 HD3 LYS 18 2HD LYS 18 -25.808 -10.195 -20.761 175 HE2 LYS 18 1HE LYS 18 -27.386 -8.928 -19.379 176 HE3 LYS 18 2HE LYS 18 -26.646 -7.422 -19.918 177 HZ1 LYS 18 3HZ LYS 18 -28.531 -9.130 -21.272 178 HZ2 LYS 18 1HZ LYS 18 -27.235 -8.642 -22.244 179 HZ3 LYS 18 2HZ LYS 18 -28.210 -7.484 -21.492 180 H GLU 19 HN GLU 19 -20.660 -7.417 -19.473 181 HA GLU 19 HA GLU 19 -20.717 -6.170 -17.000 182 HB2 GLU 19 1HB GLU 19 -18.733 -7.080 -18.815 183 HB3 GLU 19 2HB GLU 19 -18.294 -5.447 -18.336 184 HG2 GLU 19 1HG GLU 19 -18.840 -7.756 -16.485 185 HG3 GLU 19 2HG GLU 19 -17.260 -7.081 -16.880 186 H LEU 20 HN LEU 20 -19.916 -4.677 -20.139 187 HA LEU 20 HA LEU 20 -19.720 -2.047 -19.170 188 HB2 LEU 20 1HB LEU 20 -20.486 -2.964 -21.937 189 HB3 LEU 20 2HB LEU 20 -19.905 -1.359 -21.499 190 HG LEU 20 HG LEU 20 -17.962 -3.240 -20.644 191 HD11 LEU 20 1HD1 LEU 20 -18.915 -3.661 -23.470 192 HD12 LEU 20 2HD1 LEU 20 -18.849 -4.856 -22.175 193 HD13 LEU 20 3HD1 LEU 20 -17.356 -4.205 -22.850 194 HD21 LEU 20 3HD2 LEU 20 -18.009 -0.760 -21.690 195 HD22 LEU 20 1HD2 LEU 20 -17.507 -1.684 -23.105 196 HD23 LEU 20 2HD2 LEU 20 -16.561 -1.765 -21.619 197 H LYS 21 HN LYS 21 -22.452 -3.962 -20.218 198 HA LYS 21 HA LYS 21 -24.337 -1.930 -20.591 199 HB2 LYS 21 1HB LYS 21 -24.440 -4.542 -20.973 200 HB3 LYS 21 2HB LYS 21 -25.159 -4.530 -19.368 201 HG2 LYS 21 1HG LYS 21 -26.301 -2.563 -21.209 202 HG3 LYS 21 2HG LYS 21 -26.527 -4.244 -21.698 203 HD2 LYS 21 1HD LYS 21 -27.818 -4.745 -19.869 204 HD3 LYS 21 2HD LYS 21 -27.070 -3.500 -18.866 205 HE2 LYS 21 1HE LYS 21 -28.707 -2.081 -19.352 206 HE3 LYS 21 2HE LYS 21 -28.389 -2.261 -21.077 207 HZ1 LYS 21 3HZ LYS 21 -30.379 -3.211 -21.187 208 HZ2 LYS 21 1HZ LYS 21 -30.513 -3.342 -19.505 209 HZ3 LYS 21 2HZ LYS 21 -29.716 -4.546 -20.386 210 H ASP 22 HN ASP 22 -23.651 -3.862 -17.678 211 HA ASP 22 HA ASP 22 -25.482 -2.529 -16.005 212 HB2 ASP 22 1HB ASP 22 -23.607 -4.637 -15.758 213 HB3 ASP 22 2HB ASP 22 -23.235 -3.470 -14.492 214 H ILE 23 HN ILE 23 -22.058 -1.973 -16.682 215 HA ILE 23 HA ILE 23 -21.630 0.028 -14.749 216 HB ILE 23 HB ILE 23 -20.242 -0.352 -17.405 217 HG12 ILE 23 1HG1 ILE 23 -19.194 -1.193 -14.717 218 HG13 ILE 23 2HG1 ILE 23 -20.271 -2.246 -15.627 219 HG21 ILE 23 1HG2 ILE 23 -18.363 0.792 -15.980 220 HG22 ILE 23 2HG2 ILE 23 -19.579 1.762 -16.810 221 HG23 ILE 23 3HG2 ILE 23 -19.734 1.443 -15.082 222 HD11 ILE 23 3HD1 ILE 23 -18.689 -2.778 -17.135 223 HD12 ILE 23 1HD1 ILE 23 -17.958 -1.174 -17.101 224 HD13 ILE 23 2HD1 ILE 23 -17.607 -2.330 -15.817 225 H LEU 24 HN LEU 24 -22.168 0.378 -18.261 226 HA LEU 24 HA LEU 24 -22.425 3.173 -18.231 227 HB2 LEU 24 1HB LEU 24 -22.409 2.830 -20.417 228 HB3 LEU 24 2HB LEU 24 -22.544 1.096 -20.134 229 HG LEU 24 HG LEU 24 -24.994 2.818 -20.219 230 HD11 LEU 24 1HD1 LEU 24 -24.451 1.480 -22.716 231 HD12 LEU 24 2HD1 LEU 24 -23.199 2.661 -22.338 232 HD13 LEU 24 3HD1 LEU 24 -24.888 3.161 -22.410 233 HD21 LEU 24 3HD2 LEU 24 -24.347 -0.019 -20.115 234 HD22 LEU 24 1HD2 LEU 24 -25.488 0.383 -21.398 235 HD23 LEU 24 2HD2 LEU 24 -25.851 0.817 -19.727 236 H ASN 25 HN ASN 25 -24.671 0.633 -17.493 237 HA ASN 25 HA ASN 25 -27.069 2.107 -17.802 238 HB2 ASN 25 1HB ASN 25 -27.595 -0.106 -17.661 239 HB3 ASN 25 2HB ASN 25 -26.272 -0.458 -16.552 240 HD21 ASN 25 1HD2 ASN 25 -26.587 -0.257 -14.356 241 HD22 ASN 25 2HD2 ASN 25 -28.156 -0.081 -13.653 242 H GLN 26 HN GLN 26 -25.016 1.439 -14.981 243 HA GLN 26 HA GLN 26 -26.619 2.935 -13.167 244 HB2 GLN 26 1HB GLN 26 -23.838 1.804 -13.060 245 HB3 GLN 26 2HB GLN 26 -24.441 2.836 -11.770 246 HG2 GLN 26 1HG GLN 26 -26.152 1.304 -11.215 247 HG3 GLN 26 2HG GLN 26 -25.879 0.363 -12.681 248 HE21 GLN 26 1HE2 GLN 26 -23.242 -0.023 -12.749 249 HE22 GLN 26 2HE2 GLN 26 -22.702 -0.899 -11.361 250 H LEU 27 HN LEU 27 -23.911 3.693 -15.250 251 HA LEU 27 HA LEU 27 -23.256 6.196 -14.099 252 HB2 LEU 27 1HB LEU 27 -22.755 4.932 -16.769 253 HB3 LEU 27 2HB LEU 27 -22.287 6.602 -16.456 254 HG LEU 27 HG LEU 27 -21.339 4.580 -14.515 255 HD11 LEU 27 1HD1 LEU 27 -20.022 4.831 -17.208 256 HD12 LEU 27 2HD1 LEU 27 -21.101 3.504 -16.776 257 HD13 LEU 27 3HD1 LEU 27 -19.597 3.743 -15.886 258 HD21 LEU 27 3HD2 LEU 27 -19.549 6.525 -15.819 259 HD22 LEU 27 1HD2 LEU 27 -19.729 6.107 -14.115 260 HD23 LEU 27 2HD2 LEU 27 -20.878 7.207 -14.879 261 H GLY 28 HN GLY 28 -25.598 5.181 -16.502 262 HA2 GLY 28 2HA GLY 28 -27.617 6.446 -16.807 263 HA3 GLY 28 3HA GLY 28 -26.708 7.907 -16.453 264 H LEU 29 HN LEU 29 -25.425 5.471 -18.582 265 HA LEU 29 HA LEU 29 -25.314 7.391 -20.736 266 HB2 LEU 29 1HB LEU 29 -24.234 4.649 -20.268 267 HB3 LEU 29 2HB LEU 29 -24.293 5.287 -21.909 268 HG LEU 29 HG LEU 29 -22.847 6.600 -19.610 269 HD11 LEU 29 1HD1 LEU 29 -22.004 4.588 -21.630 270 HD12 LEU 29 2HD1 LEU 29 -21.519 4.772 -19.945 271 HD13 LEU 29 3HD1 LEU 29 -20.865 5.854 -21.173 272 HD21 LEU 29 3HD2 LEU 29 -23.569 8.165 -21.328 273 HD22 LEU 29 1HD2 LEU 29 -22.839 7.155 -22.575 274 HD23 LEU 29 2HD2 LEU 29 -21.819 7.951 -21.377 275 HA PRO 30 HA PRO 30 -28.772 6.092 -23.103 276 HB2 PRO 30 1HB PRO 30 -27.816 6.217 -25.641 277 HB3 PRO 30 2HB PRO 30 -28.162 7.655 -24.673 278 HG2 PRO 30 1HG PRO 30 -25.541 6.304 -25.191 279 HG3 PRO 30 2HG PRO 30 -25.925 8.035 -25.181 280 HD2 PRO 30 1HD PRO 30 -24.734 6.795 -23.089 281 HD3 PRO 30 2HD PRO 30 -25.838 8.170 -22.882 282 H LYS 31 HN LYS 31 -29.575 4.475 -24.652 283 HA LYS 31 HA LYS 31 -28.662 1.886 -24.044 284 HB2 LYS 31 1HB LYS 31 -30.982 2.394 -24.698 285 HB3 LYS 31 2HB LYS 31 -30.436 2.780 -26.325 286 HG2 LYS 31 1HG LYS 31 -29.489 0.184 -25.648 287 HG3 LYS 31 2HG LYS 31 -31.213 0.275 -25.281 288 HD2 LYS 31 1HD LYS 31 -31.322 -0.319 -27.484 289 HD3 LYS 31 2HD LYS 31 -31.290 1.437 -27.656 290 HE2 LYS 31 1HE LYS 31 -28.975 1.426 -28.187 291 HE3 LYS 31 2HE LYS 31 -28.809 -0.266 -27.719 292 HZ1 LYS 31 3HZ LYS 31 -29.428 0.776 -30.237 293 HZ2 LYS 31 1HZ LYS 31 -30.782 -0.083 -29.697 294 HZ3 LYS 31 2HZ LYS 31 -29.276 -0.848 -29.787 295 H GLN 32 HN GLN 32 -27.754 4.131 -26.506 296 HA GLN 32 HA GLN 32 -26.614 2.217 -28.302 297 HB2 GLN 32 1HB GLN 32 -25.593 4.201 -29.383 298 HB3 GLN 32 2HB GLN 32 -27.330 4.358 -29.160 299 HG2 GLN 32 1HG GLN 32 -26.811 6.379 -28.364 300 HG3 GLN 32 2HG GLN 32 -26.427 5.501 -26.884 301 HE21 GLN 32 1HE2 GLN 32 -24.274 5.129 -26.347 302 HE22 GLN 32 2HE2 GLN 32 -22.982 6.015 -27.074 303 H GLY 33 HN GLY 33 -24.138 3.023 -28.931 304 HA2 GLY 33 2HA GLY 33 -21.969 3.466 -27.998 305 HA3 GLY 33 3HA GLY 33 -22.574 2.930 -26.438 306 H LYS 34 HN LYS 34 -21.309 1.945 -29.525 307 HA LYS 34 HA LYS 34 -21.652 -0.820 -29.348 308 HB2 LYS 34 1HB LYS 34 -19.772 -0.982 -30.921 309 HB3 LYS 34 2HB LYS 34 -20.904 0.278 -31.394 310 HG2 LYS 34 1HG LYS 34 -19.344 1.904 -30.218 311 HG3 LYS 34 2HG LYS 34 -18.175 0.582 -30.185 312 HD2 LYS 34 1HD LYS 34 -17.564 1.505 -32.167 313 HD3 LYS 34 2HD LYS 34 -18.862 0.470 -32.765 314 HE2 LYS 34 1HE LYS 34 -20.419 2.334 -32.668 315 HE3 LYS 34 2HE LYS 34 -19.162 3.372 -31.997 316 HZ1 LYS 34 3HZ LYS 34 -18.021 2.438 -34.258 317 HZ2 LYS 34 1HZ LYS 34 -18.799 3.933 -34.111 318 HZ3 LYS 34 2HZ LYS 34 -19.638 2.601 -34.727 319 H LYS 35 HN LYS 35 -19.638 -2.332 -29.195 320 HA LYS 35 HA LYS 35 -18.872 -2.541 -26.554 321 HB2 LYS 35 1HB LYS 35 -18.150 -3.814 -29.066 322 HB3 LYS 35 2HB LYS 35 -16.783 -3.729 -27.962 323 HG2 LYS 35 1HG LYS 35 -19.479 -4.887 -27.284 324 HG3 LYS 35 2HG LYS 35 -18.058 -5.822 -27.758 325 HD2 LYS 35 1HD LYS 35 -17.950 -3.917 -25.445 326 HD3 LYS 35 2HD LYS 35 -18.584 -5.552 -25.245 327 HE2 LYS 35 1HE LYS 35 -15.865 -4.891 -26.371 328 HE3 LYS 35 2HE LYS 35 -16.170 -5.335 -24.692 329 HZ1 LYS 35 3HZ LYS 35 -17.339 -7.362 -25.922 330 HZ2 LYS 35 1HZ LYS 35 -15.702 -7.375 -25.495 331 HZ3 LYS 35 2HZ LYS 35 -16.160 -7.000 -27.080 332 H GLN 36 HN GLN 36 -17.227 -0.899 -29.206 333 HA GLN 36 HA GLN 36 -14.861 -0.299 -27.745 334 HB2 GLN 36 1HB GLN 36 -14.626 -0.248 -30.080 335 HB3 GLN 36 2HB GLN 36 -16.065 0.739 -30.295 336 HG2 GLN 36 1HG GLN 36 -13.814 1.858 -30.646 337 HG3 GLN 36 2HG GLN 36 -14.978 2.686 -29.614 338 HE21 GLN 36 1HE2 GLN 36 -13.002 -0.098 -28.776 339 HE22 GLN 36 2HE2 GLN 36 -12.077 0.694 -27.551 340 H ASP 37 HN ASP 37 -17.708 1.648 -28.625 341 HA ASP 37 HA ASP 37 -16.991 4.031 -27.419 342 HB2 ASP 37 1HB ASP 37 -19.396 2.853 -28.464 343 HB3 ASP 37 2HB ASP 37 -19.764 3.717 -26.974 344 H LEU 38 HN LEU 38 -18.757 1.299 -25.983 345 HA LEU 38 HA LEU 38 -19.100 2.422 -23.435 346 HB2 LEU 38 1HB LEU 38 -18.776 -0.501 -24.084 347 HB3 LEU 38 2HB LEU 38 -19.579 0.191 -22.676 348 HG LEU 38 HG LEU 38 -20.640 0.857 -25.377 349 HD11 LEU 38 1HD1 LEU 38 -22.110 -1.333 -24.711 350 HD12 LEU 38 2HD1 LEU 38 -20.485 -1.844 -24.258 351 HD13 LEU 38 3HD1 LEU 38 -20.813 -1.312 -25.907 352 HD21 LEU 38 3HD2 LEU 38 -21.411 1.638 -22.980 353 HD22 LEU 38 1HD2 LEU 38 -22.261 0.093 -23.003 354 HD23 LEU 38 2HD2 LEU 38 -22.583 1.294 -24.254 355 H ILE 39 HN ILE 39 -16.647 0.094 -24.567 356 HA ILE 39 HA ILE 39 -15.160 -0.148 -22.264 357 HB ILE 39 HB ILE 39 -14.516 -0.381 -25.153 358 HG12 ILE 39 1HG1 ILE 39 -13.543 -2.380 -23.242 359 HG13 ILE 39 2HG1 ILE 39 -15.280 -2.107 -23.146 360 HG21 ILE 39 1HG2 ILE 39 -12.124 -0.974 -24.444 361 HG22 ILE 39 2HG2 ILE 39 -12.543 0.732 -24.589 362 HG23 ILE 39 3HG2 ILE 39 -12.462 -0.023 -22.998 363 HD11 ILE 39 3HD1 ILE 39 -14.192 -2.434 -25.857 364 HD12 ILE 39 1HD1 ILE 39 -14.119 -3.857 -24.819 365 HD13 ILE 39 2HD1 ILE 39 -15.668 -3.074 -25.135 366 H ASP 40 HN ASP 40 -14.717 2.256 -24.852 367 HA ASP 40 HA ASP 40 -12.572 3.621 -23.655 368 HB2 ASP 40 1HB ASP 40 -13.999 3.822 -26.033 369 HB3 ASP 40 2HB ASP 40 -14.310 5.354 -25.221 370 H ARG 41 HN ARG 41 -16.029 3.841 -23.206 371 HA ARG 41 HA ARG 41 -16.053 6.328 -21.839 372 HB2 ARG 41 1HB ARG 41 -17.955 4.208 -22.474 373 HB3 ARG 41 2HB ARG 41 -18.236 4.914 -20.888 374 HG2 ARG 41 1HG ARG 41 -17.971 6.525 -23.414 375 HG3 ARG 41 2HG ARG 41 -19.509 5.976 -22.747 376 HD2 ARG 41 1HD ARG 41 -19.501 7.534 -21.130 377 HD3 ARG 41 2HD ARG 41 -17.778 7.336 -20.817 378 HE ARG 41 HE ARG 41 -17.814 8.645 -23.176 379 HH11 ARG 41 1HH1 ARG 41 -19.375 9.220 -20.118 380 HH12 ARG 41 2HH1 ARG 41 -19.400 10.942 -20.306 381 HH21 ARG 41 1HH2 ARG 41 -17.840 10.911 -23.435 382 HH22 ARG 41 2HH2 ARG 41 -18.528 11.903 -22.194 383 H VAL 42 HN VAL 42 -16.056 2.957 -20.710 384 HA VAL 42 HA VAL 42 -16.157 3.468 -17.967 385 HB VAL 42 HB VAL 42 -14.918 1.176 -19.486 386 HG11 VAL 42 1HG1 VAL 42 -15.046 -0.011 -17.252 387 HG12 VAL 42 2HG1 VAL 42 -13.760 1.185 -17.427 388 HG13 VAL 42 3HG1 VAL 42 -15.220 1.584 -16.521 389 HG21 VAL 42 3HG2 VAL 42 -17.582 1.889 -18.861 390 HG22 VAL 42 1HG2 VAL 42 -16.998 0.414 -19.630 391 HG23 VAL 42 2HG2 VAL 42 -17.169 0.486 -17.876 392 H LEU 43 HN LEU 43 -13.276 2.731 -19.942 393 HA LEU 43 HA LEU 43 -11.373 3.176 -17.961 394 HB2 LEU 43 1HB LEU 43 -10.981 3.784 -20.881 395 HB3 LEU 43 2HB LEU 43 -9.757 3.307 -19.706 396 HG LEU 43 HG LEU 43 -11.867 1.602 -21.001 397 HD11 LEU 43 1HD1 LEU 43 -10.193 0.906 -22.275 398 HD12 LEU 43 2HD1 LEU 43 -9.233 0.496 -20.854 399 HD13 LEU 43 3HD1 LEU 43 -9.155 2.123 -21.531 400 HD21 LEU 43 3HD2 LEU 43 -11.999 0.930 -18.747 401 HD22 LEU 43 1HD2 LEU 43 -10.255 1.068 -18.520 402 HD23 LEU 43 2HD2 LEU 43 -10.915 -0.226 -19.522 403 H ALA 44 HN ALA 44 -12.819 5.436 -20.268 404 HA ALA 44 HA ALA 44 -11.226 7.666 -19.539 405 HB1 ALA 44 1HB ALA 44 -12.366 7.616 -21.665 406 HB2 ALA 44 2HB ALA 44 -13.934 7.547 -20.860 407 HB3 ALA 44 3HB ALA 44 -12.937 8.995 -20.725 408 H LEU 45 HN LEU 45 -13.949 6.148 -18.088 409 HA LEU 45 HA LEU 45 -14.797 8.454 -16.580 410 HB2 LEU 45 1HB LEU 45 -16.641 7.233 -16.469 411 HB3 LEU 45 2HB LEU 45 -15.797 5.843 -17.147 412 HG LEU 45 HG LEU 45 -15.016 5.392 -14.743 413 HD11 LEU 45 1HD1 LEU 45 -17.454 6.950 -13.982 414 HD12 LEU 45 2HD1 LEU 45 -15.871 7.726 -14.047 415 HD13 LEU 45 3HD1 LEU 45 -16.140 6.360 -12.964 416 HD21 LEU 45 3HD2 LEU 45 -16.728 4.107 -16.044 417 HD22 LEU 45 1HD2 LEU 45 -17.965 5.119 -15.296 418 HD23 LEU 45 2HD2 LEU 45 -16.953 4.077 -14.294 419 H LEU 46 HN LEU 46 -12.966 5.491 -15.948 420 HA LEU 46 HA LEU 46 -12.485 6.257 -13.193 421 HB2 LEU 46 1HB LEU 46 -11.091 4.006 -14.580 422 HB3 LEU 46 2HB LEU 46 -11.561 4.153 -12.887 423 HG LEU 46 HG LEU 46 -13.566 3.817 -15.107 424 HD11 LEU 46 1HD1 LEU 46 -11.821 1.829 -13.803 425 HD12 LEU 46 2HD1 LEU 46 -12.607 1.794 -15.381 426 HD13 LEU 46 3HD1 LEU 46 -13.528 1.407 -13.928 427 HD21 LEU 46 3HD2 LEU 46 -15.113 3.821 -13.497 428 HD22 LEU 46 1HD2 LEU 46 -13.866 4.526 -12.467 429 HD23 LEU 46 2HD2 LEU 46 -14.147 2.785 -12.445 430 H THR 47 HN THR 47 -11.169 7.052 -16.135 431 HA THR 47 HA THR 47 -8.494 7.504 -14.989 432 HB THR 47 HB THR 47 -9.306 7.430 -17.902 433 HG1 THR 47 1HG THR 47 -8.052 5.474 -17.865 434 HG21 THR 47 3HG2 THR 47 -7.458 8.931 -17.635 435 HG22 THR 47 1HG2 THR 47 -6.827 7.413 -18.272 436 HG23 THR 47 2HG2 THR 47 -6.627 7.802 -16.563 437 H ASP 48 HN ASP 48 -10.860 9.016 -17.187 438 HA ASP 48 HA ASP 48 -9.672 11.628 -16.702 439 HB2 ASP 48 1HB ASP 48 -11.258 10.427 -18.794 440 HB3 ASP 48 2HB ASP 48 -11.998 11.931 -18.252 441 H GLU 49 HN GLU 49 -11.968 9.701 -15.257 442 HA GLU 49 HA GLU 49 -13.188 12.037 -13.957 443 HB2 GLU 49 1HB GLU 49 -14.523 10.032 -15.554 444 HB3 GLU 49 2HB GLU 49 -15.129 10.012 -13.904 445 HG2 GLU 49 1HG GLU 49 -14.988 12.709 -14.604 446 HG3 GLU 49 2HG GLU 49 -15.640 11.886 -16.020 447 H GLN 50 HN GLN 50 -11.041 10.001 -13.314 448 HA GLN 50 HA GLN 50 -11.755 8.132 -11.452 449 HB2 GLN 50 1HB GLN 50 -9.510 8.973 -10.292 450 HB3 GLN 50 2HB GLN 50 -9.502 8.079 -11.807 451 HG2 GLN 50 1HG GLN 50 -8.005 10.018 -11.846 452 HG3 GLN 50 2HG GLN 50 -9.277 10.121 -13.063 453 HE21 GLN 50 1HE2 GLN 50 -10.454 11.908 -13.142 454 HE22 GLN 50 2HE2 GLN 50 -10.493 13.142 -11.934 455 H GLY 51 HN GLY 51 -11.822 11.594 -11.127 456 HA2 GLY 51 2HA GLY 51 -12.478 12.974 -9.410 457 HA3 GLY 51 3HA GLY 51 -13.566 11.660 -8.986 458 H GLN 52 HN GLN 52 -10.114 11.213 -8.944 459 HA GLN 52 HA GLN 52 -10.068 10.251 -6.318 460 HB2 GLN 52 1HB GLN 52 -8.165 10.733 -8.431 461 HB3 GLN 52 2HB GLN 52 -7.485 11.207 -6.880 462 HG2 GLN 52 1HG GLN 52 -6.966 8.886 -7.470 463 HG3 GLN 52 2HG GLN 52 -7.896 9.013 -5.977 464 HE21 GLN 52 1HE2 GLN 52 -7.668 7.541 -8.975 465 HE22 GLN 52 2HE2 GLN 52 -9.237 6.819 -9.031 466 H ARG 53 HN ARG 53 -9.909 13.471 -7.562 467 HA ARG 53 HA ARG 53 -9.339 14.478 -4.851 468 HB2 ARG 53 1HB ARG 53 -8.895 16.065 -7.369 469 HB3 ARG 53 2HB ARG 53 -8.248 16.361 -5.761 470 HG2 ARG 53 1HG ARG 53 -6.824 14.399 -5.955 471 HG3 ARG 53 2HG ARG 53 -7.495 14.059 -7.551 472 HD2 ARG 53 1HD ARG 53 -5.701 15.222 -8.264 473 HD3 ARG 53 2HD ARG 53 -6.715 16.616 -7.893 474 HE ARG 53 HE ARG 53 -5.213 15.783 -5.625 475 HH11 ARG 53 1HH1 ARG 53 -4.979 17.516 -8.635 476 HH12 ARG 53 2HH1 ARG 53 -3.663 18.513 -8.109 477 HH21 ARG 53 1HH2 ARG 53 -3.481 17.089 -4.921 478 HH22 ARG 53 2HH2 ARG 53 -2.811 18.268 -5.997 479 H HIS 54 HN HIS 54 -11.909 13.738 -6.249 480 HA HIS 54 HA HIS 54 -13.345 16.167 -5.523 481 HB2 HIS 54 1HB HIS 54 -12.868 16.181 -8.030 482 HB3 HIS 54 2HB HIS 54 -13.955 14.800 -8.142 483 HD1 HIS 54 1HD HIS 54 -16.226 15.472 -8.807 484 HD2 HIS 54 2HD HIS 54 -14.357 18.420 -6.554 485 HE1 HIS 54 1HE HIS 54 -17.887 17.355 -8.651 486 H HIS 55 HN HIS 55 -13.393 14.171 -3.871 487 HA HIS 55 HA HIS 55 -15.704 12.475 -4.502 488 HB2 HIS 55 1HB HIS 55 -14.988 11.013 -2.761 489 HB3 HIS 55 2HB HIS 55 -13.546 11.442 -3.678 490 HD1 HIS 55 1HD HIS 55 -11.713 12.718 -2.460 491 HD2 HIS 55 2HD HIS 55 -15.127 12.152 -0.161 492 HE1 HIS 55 1HE HIS 55 -11.069 13.388 -0.124 493 H GLY 56 HN GLY 56 -17.083 11.970 -2.471 494 HA2 GLY 56 2HA GLY 56 -17.822 12.970 -0.317 495 HA3 GLY 56 3HA GLY 56 -17.652 14.530 -1.108 496 H TRP 57 HN TRP 57 -19.087 11.532 -2.343 497 HA TRP 57 HA TRP 57 -21.627 12.997 -2.643 498 HB2 TRP 57 1HB TRP 57 -21.426 10.670 -4.350 499 HB3 TRP 57 2HB TRP 57 -21.727 12.350 -4.784 500 HD1 TRP 57 HD TRP 57 -19.570 13.859 -5.407 501 HE1 TRP 57 1HE TRP 57 -17.239 13.195 -6.271 502 HE3 TRP 57 3HE TRP 57 -19.646 8.889 -4.210 503 HZ2 TRP 57 2HZ TRP 57 -15.643 10.871 -6.427 504 HZ3 TRP 57 3HZ TRP 57 -17.677 7.515 -4.751 505 HH2 TRP 57 HH TRP 57 -15.718 8.488 -5.837 506 H GLY 58 HN GLY 58 -20.774 9.551 -2.891 507 HA2 GLY 58 2HA GLY 58 -21.402 7.782 -1.511 508 HA3 GLY 58 3HA GLY 58 -22.254 8.923 -0.480 509 H ARG 59 HN ARG 59 -24.021 10.102 -2.174 510 HA ARG 59 HA ARG 59 -25.833 7.883 -2.731 511 HB2 ARG 59 1HB ARG 59 -26.148 10.507 -1.695 512 HB3 ARG 59 2HB ARG 59 -27.034 10.434 -3.213 513 HG2 ARG 59 1HG ARG 59 -27.448 8.130 -1.451 514 HG3 ARG 59 2HG ARG 59 -28.015 9.671 -0.804 515 HD2 ARG 59 1HD ARG 59 -28.738 8.517 -3.497 516 HD3 ARG 59 2HD ARG 59 -29.766 8.503 -2.065 517 HE ARG 59 HE ARG 59 -28.904 11.132 -2.838 518 HH11 ARG 59 1HH1 ARG 59 -31.284 8.640 -3.331 519 HH12 ARG 59 2HH1 ARG 59 -32.502 9.734 -3.900 520 HH21 ARG 59 1HH2 ARG 59 -30.498 12.582 -3.585 521 HH22 ARG 59 2HH2 ARG 59 -32.053 11.976 -4.045 522 H LYS 60 HN LYS 60 -23.520 8.856 -4.472 523 HA LYS 60 HA LYS 60 -24.918 8.567 -6.975 524 HB2 LYS 60 1HB LYS 60 -24.498 11.161 -6.074 525 HB3 LYS 60 2HB LYS 60 -23.166 10.884 -7.188 526 HG2 LYS 60 1HG LYS 60 -24.531 10.722 -9.005 527 HG3 LYS 60 2HG LYS 60 -25.897 10.117 -8.064 528 HD2 LYS 60 1HD LYS 60 -25.726 12.554 -7.002 529 HD3 LYS 60 2HD LYS 60 -25.024 12.906 -8.583 530 HE2 LYS 60 1HE LYS 60 -27.266 13.295 -8.962 531 HE3 LYS 60 2HE LYS 60 -27.097 11.620 -9.488 532 HZ1 LYS 60 3HZ LYS 60 -28.737 11.162 -8.085 533 HZ2 LYS 60 1HZ LYS 60 -28.676 12.697 -7.375 534 HZ3 LYS 60 2HZ LYS 60 -27.663 11.465 -6.813 535 H ASN 61 HN ASN 61 -22.804 7.268 -5.325 536 HA ASN 61 HA ASN 61 -20.381 7.576 -6.878 537 HB2 ASN 61 1HB ASN 61 -19.339 6.524 -5.167 538 HB3 ASN 61 2HB ASN 61 -20.831 6.853 -4.291 539 HD21 ASN 61 1HD2 ASN 61 -22.556 5.049 -5.333 540 HD22 ASN 61 2HD2 ASN 61 -22.025 3.443 -4.983 541 H SER 62 HN SER 62 -23.176 6.216 -7.630 542 HA SER 62 HA SER 62 -22.523 3.576 -8.400 543 HB2 SER 62 1HB SER 62 -24.610 5.358 -9.672 544 HB3 SER 62 2HB SER 62 -24.586 3.595 -9.640 545 HG SER 62 HG SER 62 -25.604 5.288 -7.837 546 H LEU 63 HN LEU 63 -21.439 6.504 -9.581 547 HA LEU 63 HA LEU 63 -20.780 5.312 -12.194 548 HB2 LEU 63 1HB LEU 63 -20.431 7.836 -12.785 549 HB3 LEU 63 2HB LEU 63 -22.037 7.110 -12.825 550 HG LEU 63 HG LEU 63 -21.344 8.315 -10.248 551 HD11 LEU 63 1HD1 LEU 63 -20.232 9.789 -12.045 552 HD12 LEU 63 2HD1 LEU 63 -21.292 10.553 -10.861 553 HD13 LEU 63 3HD1 LEU 63 -21.882 10.225 -12.490 554 HD21 LEU 63 3HD2 LEU 63 -23.664 8.572 -12.158 555 HD22 LEU 63 1HD2 LEU 63 -23.599 9.271 -10.540 556 HD23 LEU 63 2HD2 LEU 63 -23.571 7.519 -10.745 557 H THR 64 HN THR 64 -19.344 5.149 -9.602 558 HA THR 64 HA THR 64 -16.823 6.440 -10.422 559 HB THR 64 HB THR 64 -16.954 5.576 -7.627 560 HG1 THR 64 1HG THR 64 -18.478 7.001 -6.956 561 HG21 THR 64 3HG2 THR 64 -15.428 7.196 -7.427 562 HG22 THR 64 1HG2 THR 64 -16.500 8.393 -8.152 563 HG23 THR 64 2HG2 THR 64 -15.504 7.363 -9.180 564 H LYS 65 HN LYS 65 -14.931 5.216 -9.148 565 HA LYS 65 HA LYS 65 -14.533 2.790 -10.414 566 HB2 LYS 65 1HB LYS 65 -13.305 3.735 -7.817 567 HB3 LYS 65 2HB LYS 65 -12.678 2.438 -8.827 568 HG2 LYS 65 1HG LYS 65 -11.749 3.856 -10.301 569 HG3 LYS 65 2HG LYS 65 -13.080 5.010 -10.193 570 HD2 LYS 65 1HD LYS 65 -10.984 4.638 -8.057 571 HD3 LYS 65 2HD LYS 65 -10.901 5.866 -9.322 572 HE2 LYS 65 1HE LYS 65 -12.076 7.200 -7.985 573 HE3 LYS 65 2HE LYS 65 -13.452 6.126 -8.232 574 HZ1 LYS 65 3HZ LYS 65 -12.308 6.670 -5.846 575 HZ2 LYS 65 1HZ LYS 65 -11.599 5.186 -6.244 576 HZ3 LYS 65 2HZ LYS 65 -13.283 5.326 -6.172 577 H GLU 66 HN GLU 66 -15.865 3.437 -7.210 578 HA GLU 66 HA GLU 66 -15.922 0.863 -6.182 579 HB2 GLU 66 1HB GLU 66 -18.074 2.949 -5.801 580 HB3 GLU 66 2HB GLU 66 -17.690 1.618 -4.718 581 HG2 GLU 66 1HG GLU 66 -15.485 2.619 -4.302 582 HG3 GLU 66 2HG GLU 66 -15.923 3.973 -5.342 583 H ALA 67 HN ALA 67 -18.302 2.491 -8.246 584 HA ALA 67 HA ALA 67 -20.157 0.356 -8.305 585 HB1 ALA 67 1HB ALA 67 -20.042 2.119 -10.661 586 HB2 ALA 67 2HB ALA 67 -21.402 1.701 -9.618 587 HB3 ALA 67 3HB ALA 67 -20.242 2.927 -9.106 588 H VAL 68 HN VAL 68 -17.758 1.423 -10.721 589 HA VAL 68 HA VAL 68 -18.150 -0.587 -12.589 590 HB VAL 68 HB VAL 68 -15.573 0.818 -11.876 591 HG11 VAL 68 1HG1 VAL 68 -16.269 -1.132 -14.008 592 HG12 VAL 68 2HG1 VAL 68 -15.200 0.210 -14.422 593 HG13 VAL 68 3HG1 VAL 68 -14.756 -0.906 -13.131 594 HG21 VAL 68 3HG2 VAL 68 -17.790 1.423 -13.813 595 HG22 VAL 68 1HG2 VAL 68 -17.133 2.449 -12.538 596 HG23 VAL 68 2HG2 VAL 68 -16.177 2.116 -13.982 597 H ALA 69 HN ALA 69 -16.002 -0.555 -9.768 598 HA ALA 69 HA ALA 69 -14.866 -3.109 -10.252 599 HB1 ALA 69 1HB ALA 69 -14.284 -2.926 -7.755 600 HB2 ALA 69 2HB ALA 69 -13.600 -1.735 -8.862 601 HB3 ALA 69 3HB ALA 69 -14.986 -1.311 -7.857 602 H LYS 70 HN LYS 70 -17.720 -2.007 -8.544 603 HA LYS 70 HA LYS 70 -18.281 -4.346 -7.094 604 HB2 LYS 70 1HB LYS 70 -19.442 -2.339 -6.527 605 HB3 LYS 70 2HB LYS 70 -20.064 -2.160 -8.162 606 HG2 LYS 70 1HG LYS 70 -21.565 -3.967 -7.889 607 HG3 LYS 70 2HG LYS 70 -20.789 -4.473 -6.386 608 HD2 LYS 70 1HD LYS 70 -22.449 -3.316 -5.404 609 HD3 LYS 70 2HD LYS 70 -21.464 -1.905 -5.799 610 HE2 LYS 70 1HE LYS 70 -23.370 -2.944 -7.839 611 HE3 LYS 70 2HE LYS 70 -24.008 -2.033 -6.472 612 HZ1 LYS 70 3HZ LYS 70 -22.021 -1.109 -8.470 613 HZ2 LYS 70 1HZ LYS 70 -22.394 -0.255 -7.059 614 HZ3 LYS 70 2HZ LYS 70 -23.586 -0.515 -8.229 615 H ILE 71 HN ILE 71 -19.451 -3.273 -10.279 616 HA ILE 71 HA ILE 71 -20.980 -5.590 -10.807 617 HB ILE 71 HB ILE 71 -19.728 -3.816 -12.898 618 HG12 ILE 71 1HG1 ILE 71 -20.817 -2.377 -11.269 619 HG13 ILE 71 2HG1 ILE 71 -21.790 -2.447 -12.734 620 HG21 ILE 71 1HG2 ILE 71 -21.205 -6.082 -13.185 621 HG22 ILE 71 2HG2 ILE 71 -22.453 -4.839 -13.235 622 HG23 ILE 71 3HG2 ILE 71 -21.110 -4.786 -14.376 623 HD11 ILE 71 3HD1 ILE 71 -22.769 -4.496 -11.135 624 HD12 ILE 71 1HD1 ILE 71 -22.482 -3.151 -10.033 625 HD13 ILE 71 2HD1 ILE 71 -23.519 -2.930 -11.442 626 H VAL 72 HN VAL 72 -17.760 -4.605 -11.977 627 HA VAL 72 HA VAL 72 -17.145 -6.825 -13.497 628 HB VAL 72 HB VAL 72 -15.306 -5.132 -11.805 629 HG11 VAL 72 1HG1 VAL 72 -13.993 -6.998 -12.139 630 HG12 VAL 72 2HG1 VAL 72 -14.742 -7.377 -13.692 631 HG13 VAL 72 3HG1 VAL 72 -13.606 -6.033 -13.564 632 HG21 VAL 72 3HG2 VAL 72 -15.044 -3.757 -13.623 633 HG22 VAL 72 1HG2 VAL 72 -15.454 -5.026 -14.777 634 HG23 VAL 72 2HG2 VAL 72 -16.725 -4.245 -13.836 635 H ASP 73 HN ASP 73 -16.802 -6.375 -10.008 636 HA ASP 73 HA ASP 73 -15.455 -8.801 -9.487 637 HB2 ASP 73 1HB ASP 73 -15.441 -7.036 -7.840 638 HB3 ASP 73 2HB ASP 73 -17.198 -7.080 -7.715 639 H ASP 74 HN ASP 74 -18.895 -7.931 -9.392 640 HA ASP 74 HA ASP 74 -19.868 -10.401 -8.496 641 HB2 ASP 74 1HB ASP 74 -21.087 -8.150 -10.071 642 HB3 ASP 74 2HB ASP 74 -22.001 -9.622 -9.753 643 H THR 75 HN THR 75 -19.014 -9.259 -11.701 644 HA THR 75 HA THR 75 -20.168 -11.441 -13.123 645 HB THR 75 HB THR 75 -17.896 -10.244 -14.478 646 HG1 THR 75 1HG THR 75 -18.587 -8.123 -14.426 647 HG21 THR 75 3HG2 THR 75 -20.436 -11.220 -15.081 648 HG22 THR 75 1HG2 THR 75 -19.284 -10.505 -16.207 649 HG23 THR 75 2HG2 THR 75 -20.517 -9.497 -15.448 650 H TYR 76 HN TYR 76 -16.958 -10.765 -11.821 651 HA TYR 76 HA TYR 76 -15.665 -13.000 -12.985 652 HB2 TYR 76 1HB TYR 76 -14.726 -10.833 -11.771 653 HB3 TYR 76 2HB TYR 76 -14.729 -11.902 -10.373 654 HD1 TYR 76 1HD TYR 76 -13.276 -11.302 -13.695 655 HD2 TYR 76 2HD TYR 76 -13.176 -13.735 -10.206 656 HE1 TYR 76 1HE TYR 76 -11.130 -12.254 -14.427 657 HE2 TYR 76 2HE TYR 76 -11.029 -14.692 -10.928 658 HH TYR 76 HH TYR 76 -9.785 -14.254 -14.069 659 H ARG 77 HN ARG 77 -16.929 -12.453 -9.698 660 HA ARG 77 HA ARG 77 -16.381 -15.033 -8.729 661 HB2 ARG 77 1HB ARG 77 -18.142 -14.470 -7.004 662 HB3 ARG 77 2HB ARG 77 -16.818 -13.322 -7.142 663 HG2 ARG 77 1HG ARG 77 -18.289 -11.697 -7.421 664 HG3 ARG 77 2HG ARG 77 -18.829 -12.462 -8.917 665 HD2 ARG 77 1HD ARG 77 -19.993 -13.924 -6.820 666 HD3 ARG 77 2HD ARG 77 -20.188 -12.223 -6.400 667 HE ARG 77 HE ARG 77 -20.913 -12.871 -9.114 668 HH11 ARG 77 1HH1 ARG 77 -22.001 -12.616 -5.817 669 HH12 ARG 77 2HH1 ARG 77 -23.668 -12.419 -6.245 670 HH21 ARG 77 1HH2 ARG 77 -23.105 -12.613 -9.691 671 HH22 ARG 77 2HH2 ARG 77 -24.295 -12.418 -8.449 672 H LYS 78 HN LYS 78 -19.142 -13.698 -10.445 673 HA LYS 78 HA LYS 78 -20.754 -16.059 -10.120 674 HB2 LYS 78 1HB LYS 78 -21.912 -13.978 -10.344 675 HB3 LYS 78 2HB LYS 78 -21.047 -13.585 -11.823 676 HG2 LYS 78 1HG LYS 78 -22.280 -15.076 -13.096 677 HG3 LYS 78 2HG LYS 78 -22.786 -16.013 -11.687 678 HD2 LYS 78 1HD LYS 78 -24.714 -14.849 -12.189 679 HD3 LYS 78 2HD LYS 78 -23.967 -13.792 -10.989 680 HE2 LYS 78 1HE LYS 78 -22.967 -13.119 -13.577 681 HE3 LYS 78 2HE LYS 78 -24.728 -13.177 -13.643 682 HZ1 LYS 78 3HZ LYS 78 -24.906 -11.556 -11.982 683 HZ2 LYS 78 1HZ LYS 78 -23.680 -10.985 -12.999 684 HZ3 LYS 78 2HZ LYS 78 -23.285 -11.704 -11.521 685 H MET 79 HN MET 79 -18.373 -14.934 -12.354 686 HA MET 79 HA MET 79 -19.124 -16.541 -14.576 687 HB2 MET 79 1HB MET 79 -17.719 -14.671 -15.006 688 HB3 MET 79 2HB MET 79 -16.545 -15.185 -13.801 689 HG2 MET 79 1HG MET 79 -15.502 -16.562 -15.219 690 HG3 MET 79 2HG MET 79 -17.009 -17.129 -15.936 691 HE1 MET 79 3HE MET 79 -14.437 -13.586 -17.285 692 HE2 MET 79 1HE MET 79 -14.766 -13.982 -15.598 693 HE3 MET 79 2HE MET 79 -13.821 -15.089 -16.595 694 H GLN 80 HN GLN 80 -16.477 -16.904 -12.209 695 HA GLN 80 HA GLN 80 -16.837 -19.787 -12.261 696 HB2 GLN 80 1HB GLN 80 -14.332 -18.401 -13.191 697 HB3 GLN 80 2HB GLN 80 -14.304 -20.048 -12.574 698 HG2 GLN 80 1HG GLN 80 -16.326 -20.144 -14.414 699 HG3 GLN 80 2HG GLN 80 -15.183 -19.024 -15.155 700 HE21 GLN 80 1HE2 GLN 80 -12.798 -20.058 -14.249 701 HE22 GLN 80 2HE2 GLN 80 -12.551 -21.621 -14.943 702 H ILE 81 HN ILE 81 -16.786 -17.250 -10.455 703 HA ILE 81 HA ILE 81 -16.462 -16.885 -8.229 704 HB ILE 81 HB ILE 81 -15.294 -19.655 -8.025 705 HG12 ILE 81 1HG1 ILE 81 -18.205 -18.837 -7.897 706 HG13 ILE 81 2HG1 ILE 81 -17.459 -19.781 -9.182 707 HG21 ILE 81 1HG2 ILE 81 -16.188 -19.524 -5.729 708 HG22 ILE 81 2HG2 ILE 81 -14.987 -18.278 -6.064 709 HG23 ILE 81 3HG2 ILE 81 -16.702 -17.868 -6.047 710 HD11 ILE 81 3HD1 ILE 81 -16.830 -21.181 -6.889 711 HD12 ILE 81 1HD1 ILE 81 -18.480 -20.624 -6.612 712 HD13 ILE 81 2HD1 ILE 81 -18.099 -21.574 -8.049 713 H GLN 82 HN GLN 82 -13.752 -19.069 -9.000 714 HA GLN 82 HA GLN 82 -11.501 -18.827 -8.752 715 HB2 GLN 82 1HB GLN 82 -12.384 -16.852 -10.454 716 HB3 GLN 82 2HB GLN 82 -11.444 -15.947 -9.276 717 HG2 GLN 82 1HG GLN 82 -10.059 -16.569 -11.146 718 HG3 GLN 82 2HG GLN 82 -9.527 -17.413 -9.692 719 HE21 GLN 82 1HE2 GLN 82 -9.707 -19.617 -9.572 720 HE22 GLN 82 2HE2 GLN 82 -10.128 -20.606 -10.924 721 H CYS 83 HN CYS 83 -9.796 -17.018 -7.816 722 HA CYS 83 HA CYS 83 -10.689 -16.642 -5.049 723 HB2 CYS 83 1HB CYS 83 -8.547 -17.956 -5.771 724 HB3 CYS 83 2HB CYS 83 -7.841 -16.354 -5.941 725 HG CYS 83 HG CYS 83 -8.611 -18.069 -3.160 726 H ALA 84 HN ALA 84 -11.748 -14.769 -6.670 727 HA ALA 84 HA ALA 84 -12.039 -12.516 -6.835 728 HB1 ALA 84 1HB ALA 84 -9.737 -12.126 -4.948 729 HB2 ALA 84 2HB ALA 84 -11.155 -11.104 -5.186 730 HB3 ALA 84 3HB ALA 84 -11.320 -12.670 -4.392 731 HA PRO 85 HA PRO 85 -9.184 -11.521 -10.055 732 HB2 PRO 85 1HB PRO 85 -10.134 -9.047 -10.640 733 HB3 PRO 85 2HB PRO 85 -10.969 -10.532 -11.110 734 HG2 PRO 85 1HG PRO 85 -11.500 -8.714 -8.793 735 HG3 PRO 85 2HG PRO 85 -12.654 -9.488 -9.894 736 HD2 PRO 85 1HD PRO 85 -12.133 -10.451 -7.417 737 HD3 PRO 85 2HD PRO 85 -12.553 -11.505 -8.783 738 H ASP 86 HN ASP 86 -9.265 -10.110 -7.019 739 HA ASP 86 HA ASP 86 -7.750 -8.909 -5.818 740 HB2 ASP 86 1HB ASP 86 -6.147 -10.401 -7.147 741 HB3 ASP 86 2HB ASP 86 -5.899 -9.007 -8.194 742 H LEU 87 HN LEU 87 -9.715 -7.593 -7.452 743 HA LEU 87 HA LEU 87 -8.860 -5.454 -8.953 744 HB2 LEU 87 1HB LEU 87 -11.216 -6.116 -8.580 745 HB3 LEU 87 2HB LEU 87 -11.125 -5.422 -6.963 746 HG LEU 87 HG LEU 87 -10.387 -3.530 -9.056 747 HD11 LEU 87 1HD1 LEU 87 -12.137 -5.021 -10.166 748 HD12 LEU 87 2HD1 LEU 87 -12.450 -3.286 -10.131 749 HD13 LEU 87 3HD1 LEU 87 -13.272 -4.353 -8.993 750 HD21 LEU 87 3HD2 LEU 87 -12.521 -3.459 -6.926 751 HD22 LEU 87 1HD2 LEU 87 -11.851 -2.084 -7.805 752 HD23 LEU 87 2HD2 LEU 87 -10.838 -2.990 -6.681 753 H ALA 88 HN ALA 88 -9.127 -5.669 -5.428 754 HA ALA 88 HA ALA 88 -6.983 -3.950 -4.920 755 HB1 ALA 88 1HB ALA 88 -9.309 -2.408 -4.042 756 HB2 ALA 88 2HB ALA 88 -7.797 -1.868 -4.774 757 HB3 ALA 88 3HB ALA 88 -9.104 -2.473 -5.792 758 H THR 89 HN THR 89 -10.054 -5.254 -3.839 759 HA THR 89 HA THR 89 -10.690 -6.249 -1.891 760 HB THR 89 HB THR 89 -7.861 -6.194 -0.890 761 HG1 THR 89 1HG THR 89 -7.274 -7.261 -2.614 762 HG21 THR 89 3HG2 THR 89 -10.198 -8.078 -0.644 763 HG22 THR 89 1HG2 THR 89 -9.404 -7.159 0.634 764 HG23 THR 89 2HG2 THR 89 -8.565 -8.506 -0.135 765 H ARG 90 HN ARG 90 -10.298 -3.283 -2.162 766 HA ARG 90 HA ARG 90 -10.499 -1.404 -0.895 767 HB2 ARG 90 1HB ARG 90 -11.914 -3.510 0.490 768 HB3 ARG 90 2HB ARG 90 -11.267 -2.340 1.633 769 HG2 ARG 90 1HG ARG 90 -12.501 -0.585 0.716 770 HG3 ARG 90 2HG ARG 90 -12.823 -1.472 -0.775 771 HD2 ARG 90 1HD ARG 90 -13.858 -3.050 1.295 772 HD3 ARG 90 2HD ARG 90 -14.334 -1.395 1.672 773 HE ARG 90 HE ARG 90 -15.729 -1.408 -0.153 774 HH11 ARG 90 1HH1 ARG 90 -13.602 -4.160 -0.290 775 HH12 ARG 90 2HH1 ARG 90 -14.447 -4.912 -1.603 776 HH21 ARG 90 1HH2 ARG 90 -16.850 -2.387 -1.881 777 HH22 ARG 90 2HH2 ARG 90 -16.294 -3.902 -2.507 778 H SER 91 HN SER 91 -7.978 -3.027 -0.811 779 HA SER 91 HA SER 91 -6.924 -2.273 1.818 780 HB2 SER 91 1HB SER 91 -5.892 -4.086 -0.361 781 HB3 SER 91 2HB SER 91 -4.888 -3.587 1.000 782 HG SER 91 HG SER 91 -5.885 -4.992 2.191 783 H HIS 92 HN HIS 92 -7.373 -0.025 0.601 784 HA HIS 92 HA HIS 92 -4.721 0.957 -0.075 785 HB2 HIS 92 1HB HIS 92 -7.037 0.934 -1.961 786 HB3 HIS 92 2HB HIS 92 -5.957 2.325 -1.976 787 HD1 HIS 92 1HD HIS 92 -5.937 -1.404 -2.559 788 HD2 HIS 92 2HD HIS 92 -3.555 1.929 -3.254 789 HE1 HIS 92 1HE HIS 92 -4.083 -2.203 -4.059 790 H SER 93 HN SER 93 -7.974 2.337 -0.466 791 HA SER 93 HA SER 93 -7.816 3.882 1.935 792 HB2 SER 93 1HB SER 93 -6.933 5.061 -0.635 793 HB3 SER 93 2HB SER 93 -8.029 6.049 0.331 794 HG SER 93 HG SER 93 -6.308 6.546 1.420 795 H GLY 94 HN GLY 94 -9.824 4.312 2.605 796 HA2 GLY 94 2HA GLY 94 -12.028 5.214 2.179 797 HA3 GLY 94 3HA GLY 94 -11.963 4.484 0.582 798 H SER 95 HN SER 95 -12.960 4.110 3.801 799 HA SER 95 HA SER 95 -14.135 1.532 3.168 800 HB2 SER 95 1HB SER 95 -11.902 1.884 5.077 801 HB3 SER 95 2HB SER 95 -13.254 0.911 5.656 802 HG SER 95 HG SER 95 -12.040 -0.539 4.617 803 H ASP 96 HN ASP 96 -14.721 4.458 4.015 804 HA ASP 96 HA ASP 96 -16.712 3.749 6.067 805 HB2 ASP 96 1HB ASP 96 -14.923 6.151 5.872 806 HB3 ASP 96 2HB ASP 96 -16.478 6.270 6.691 807 H PHE 97 HN PHE 97 -16.210 4.748 2.947 808 HA PHE 97 HA PHE 97 -18.738 6.245 2.830 809 HB2 PHE 97 1HB PHE 97 -16.207 6.626 1.565 810 HB3 PHE 97 2HB PHE 97 -17.401 6.281 0.318 811 HD1 PHE 97 1HD PHE 97 -19.806 7.533 1.210 812 HD2 PHE 97 2HD PHE 97 -15.788 8.880 1.612 813 HE1 PHE 97 1HE PHE 97 -20.601 9.859 1.329 814 HE2 PHE 97 2HE PHE 97 -16.577 11.207 1.732 815 HZ PHE 97 HZ PHE 97 -18.986 11.699 1.591 816 H SER 98 HN SER 98 -18.027 3.208 2.807 817 HA SER 98 HA SER 98 -19.241 2.423 0.276 818 HB2 SER 98 1HB SER 98 -18.328 0.610 2.514 819 HB3 SER 98 2HB SER 98 -18.606 0.181 0.826 820 HG SER 98 HG SER 98 -16.391 1.215 2.001 821 H PHE 99 HN PHE 99 -20.622 0.176 0.907 822 HA PHE 99 HA PHE 99 -22.665 -0.579 1.558 823 HB2 PHE 99 1HB PHE 99 -22.429 1.282 3.923 824 HB3 PHE 99 2HB PHE 99 -23.366 -0.204 3.813 825 HD1 PHE 99 1HD PHE 99 -21.544 -2.143 2.750 826 HD2 PHE 99 2HD PHE 99 -20.797 1.008 5.513 827 HE1 PHE 99 1HE PHE 99 -19.647 -3.408 3.675 828 HE2 PHE 99 2HE PHE 99 -18.898 -0.252 6.441 829 HZ PHE 99 HZ PHE 99 -18.320 -2.463 5.522 830 H ARG 100 HN ARG 100 -22.690 1.413 -0.325 831 HA ARG 100 HA ARG 100 -24.164 3.691 0.123 832 HB2 ARG 100 1HB ARG 100 -24.995 3.330 -2.281 833 HB3 ARG 100 2HB ARG 100 -23.259 3.454 -2.025 834 HG2 ARG 100 1HG ARG 100 -22.888 1.380 -2.760 835 HG3 ARG 100 2HG ARG 100 -24.265 0.720 -1.875 836 HD2 ARG 100 1HD ARG 100 -24.991 2.431 -4.139 837 HD3 ARG 100 2HD ARG 100 -24.109 0.972 -4.589 838 HE ARG 100 HE ARG 100 -26.077 0.161 -2.837 839 HH11 ARG 100 1HH1 ARG 100 -25.926 1.750 -5.931 840 HH12 ARG 100 2HH1 ARG 100 -27.448 1.126 -6.473 841 HH21 ARG 100 1HH2 ARG 100 -28.084 -0.666 -3.539 842 HH22 ARG 100 2HH2 ARG 100 -28.676 -0.248 -5.111 843 HA PRO 101 HA PRO 101 -28.279 2.543 1.123 844 HB2 PRO 101 1HB PRO 101 -29.715 4.457 -0.159 845 HB3 PRO 101 2HB PRO 101 -28.749 4.786 1.285 846 HG2 PRO 101 1HG PRO 101 -28.078 5.269 -1.592 847 HG3 PRO 101 2HG PRO 101 -27.809 6.319 -0.189 848 HD2 PRO 101 1HD PRO 101 -25.844 4.805 -1.275 849 HD3 PRO 101 2HD PRO 101 -25.914 5.177 0.459 850 H ILE 102 HN ILE 102 -30.592 2.557 -0.125 851 HA ILE 102 HA ILE 102 -30.166 1.024 -2.607 852 HB ILE 102 HB ILE 102 -32.578 0.551 -0.915 853 HG12 ILE 102 1HG1 ILE 102 -29.775 -0.293 -0.282 854 HG13 ILE 102 2HG1 ILE 102 -31.053 0.235 0.808 855 HG21 ILE 102 1HG2 ILE 102 -32.115 -0.412 -3.245 856 HG22 ILE 102 2HG2 ILE 102 -30.939 -1.447 -2.435 857 HG23 ILE 102 3HG2 ILE 102 -32.641 -1.526 -1.982 858 HD11 ILE 102 3HD1 ILE 102 -32.214 -1.969 0.086 859 HD12 ILE 102 1HD1 ILE 102 -30.590 -2.446 -0.408 860 HD13 ILE 102 2HD1 ILE 102 -30.909 -2.009 1.271 861 H GLU 103 HN GLU 103 -30.613 3.856 -2.450 862 HA GLU 103 HA GLU 103 -31.831 5.472 -3.490 863 HB2 GLU 103 1HB GLU 103 -32.009 3.292 -5.129 864 HB3 GLU 103 2HB GLU 103 -33.706 3.649 -4.836 865 HG2 GLU 103 1HG GLU 103 -32.560 6.118 -5.375 866 HG3 GLU 103 2HG GLU 103 -31.794 5.011 -6.513 867 H GLU 104 HN GLU 104 -32.711 4.233 -0.935 868 HA GLU 104 HA GLU 104 -34.455 4.302 0.530 869 HB2 GLU 104 1HB GLU 104 -34.155 6.750 -0.299 870 HB3 GLU 104 2HB GLU 104 -35.665 6.471 -1.155 871 HG2 GLU 104 1HG GLU 104 -36.527 5.688 1.168 872 HG3 GLU 104 2HG GLU 104 -35.152 6.606 1.778 873 H ALA 105 HN ALA 105 -34.726 2.480 -1.675 874 HA ALA 105 HA ALA 105 -36.258 1.086 -2.619 875 HB1 ALA 105 1HB ALA 105 -37.825 2.229 -0.334 876 HB2 ALA 105 2HB ALA 105 -38.546 1.068 -1.450 877 HB3 ALA 105 3HB ALA 105 -37.124 0.619 -0.507 Start of MODEL 2 1 H1 GLY -5 HN GLY -5 -1.696 -2.173 -2.800 2 HA2 GLY -5 2HA GLY -5 0.622 -1.555 -1.850 3 HA3 GLY -5 3HA GLY -5 0.004 -0.542 -3.147 4 H SER -4 HN SER -4 1.615 0.923 -2.009 5 HA SER -4 HA SER -4 1.008 2.022 0.520 6 HB2 SER -4 1HB SER -4 3.230 2.270 -0.399 7 HB3 SER -4 2HB SER -4 2.601 3.142 -1.796 8 HG SER -4 HG SER -4 3.524 4.364 0.108 9 H HIS -3 HN HIS -3 0.860 3.800 -2.558 10 HA HIS -3 HA HIS -3 -1.834 4.705 -1.982 11 HB2 HIS -3 1HB HIS -3 0.486 6.640 -2.137 12 HB3 HIS -3 2HB HIS -3 -1.213 7.104 -2.146 13 HD1 HIS -3 1HD HIS -3 -2.556 6.635 0.098 14 HD2 HIS -3 2HD HIS -3 1.569 6.203 0.349 15 HE1 HIS -3 1HE HIS -3 -2.027 6.641 2.557 16 H MET -2 HN MET -2 -1.034 3.091 -4.030 17 HA MET -2 HA MET -2 -1.595 4.786 -6.334 18 HB2 MET -2 1HB MET -2 0.605 2.741 -6.518 19 HB3 MET -2 2HB MET -2 0.201 4.015 -7.660 20 HG2 MET -2 1HG MET -2 0.963 5.695 -6.067 21 HG3 MET -2 2HG MET -2 1.355 4.423 -4.911 22 HE1 MET -2 3HE MET -2 4.299 2.676 -6.043 23 HE2 MET -2 1HE MET -2 2.610 2.419 -5.603 24 HE3 MET -2 2HE MET -2 3.126 2.210 -7.277 25 H ALA -1 HN ALA -1 -3.657 3.770 -6.184 26 HA ALA -1 HA ALA -1 -3.667 0.956 -7.064 27 HB1 ALA -1 1HB ALA -1 -6.198 1.881 -6.005 28 HB2 ALA -1 2HB ALA -1 -5.230 0.477 -5.554 29 HB3 ALA -1 3HB ALA -1 -4.892 2.050 -4.832 30 H SER 1 HN SER 1 -4.312 4.124 -7.973 31 HA SER 1 HA SER 1 -6.610 4.049 -9.480 32 HB2 SER 1 1HB SER 1 -5.236 5.656 -11.048 33 HB3 SER 1 2HB SER 1 -5.638 6.152 -9.405 34 HG SER 1 HG SER 1 -3.586 6.272 -9.033 35 H ALA 2 HN ALA 2 -3.326 3.285 -10.641 36 HA ALA 2 HA ALA 2 -4.131 2.421 -13.200 37 HB1 ALA 2 1HB ALA 2 -1.735 2.910 -11.997 38 HB2 ALA 2 2HB ALA 2 -1.713 1.153 -12.144 39 HB3 ALA 2 3HB ALA 2 -1.939 2.155 -13.577 40 H ASP 3 HN ASP 3 -4.240 0.900 -10.120 41 HA ASP 3 HA ASP 3 -4.283 -1.802 -11.103 42 HB2 ASP 3 1HB ASP 3 -3.951 -0.593 -8.603 43 HB3 ASP 3 2HB ASP 3 -5.475 -1.468 -8.483 44 H LEU 4 HN LEU 4 -6.683 0.556 -10.009 45 HA LEU 4 HA LEU 4 -8.911 -1.193 -10.251 46 HB2 LEU 4 1HB LEU 4 -8.848 0.871 -8.862 47 HB3 LEU 4 2HB LEU 4 -8.885 1.820 -10.347 48 HG LEU 4 HG LEU 4 -11.082 -0.070 -10.219 49 HD11 LEU 4 1HD1 LEU 4 -10.860 0.246 -7.814 50 HD12 LEU 4 2HD1 LEU 4 -12.314 1.035 -8.424 51 HD13 LEU 4 3HD1 LEU 4 -10.888 1.996 -8.031 52 HD21 LEU 4 3HD2 LEU 4 -10.897 1.854 -11.749 53 HD22 LEU 4 1HD2 LEU 4 -11.002 2.942 -10.364 54 HD23 LEU 4 2HD2 LEU 4 -12.367 1.903 -10.774 55 H VAL 5 HN VAL 5 -7.413 1.180 -12.395 56 HA VAL 5 HA VAL 5 -9.391 1.000 -14.435 57 HB VAL 5 HB VAL 5 -6.528 1.955 -14.579 58 HG11 VAL 5 1HG1 VAL 5 -7.300 1.317 -16.782 59 HG12 VAL 5 2HG1 VAL 5 -8.781 2.252 -16.564 60 HG13 VAL 5 3HG1 VAL 5 -7.223 3.074 -16.662 61 HG21 VAL 5 3HG2 VAL 5 -7.239 3.832 -13.627 62 HG22 VAL 5 1HG2 VAL 5 -8.499 4.007 -14.849 63 HG23 VAL 5 2HG2 VAL 5 -8.818 3.085 -13.379 64 H SER 6 HN SER 6 -6.102 -0.342 -14.149 65 HA SER 6 HA SER 6 -6.118 -1.789 -16.543 66 HB2 SER 6 1HB SER 6 -4.084 -1.331 -15.193 67 HB3 SER 6 2HB SER 6 -4.649 -2.488 -13.989 68 HG SER 6 HG SER 6 -3.437 -2.924 -16.400 69 H SER 7 HN SER 7 -7.155 -2.689 -13.287 70 HA SER 7 HA SER 7 -7.710 -5.406 -13.906 71 HB2 SER 7 1HB SER 7 -8.623 -3.607 -11.656 72 HB3 SER 7 2HB SER 7 -9.053 -5.314 -11.758 73 HG SER 7 HG SER 7 -7.225 -5.552 -10.732 74 H CYS 8 HN CYS 8 -9.760 -2.517 -13.633 75 HA CYS 8 HA CYS 8 -12.207 -3.767 -14.177 76 HB2 CYS 8 1HB CYS 8 -11.196 -0.958 -14.378 77 HB3 CYS 8 2HB CYS 8 -12.766 -1.351 -15.068 78 HG CYS 8 HG CYS 8 -12.790 -2.652 -12.116 79 H LYS 9 HN LYS 9 -9.779 -2.369 -16.324 80 HA LYS 9 HA LYS 9 -11.277 -2.599 -18.711 81 HB2 LYS 9 1HB LYS 9 -9.409 -1.133 -18.726 82 HB3 LYS 9 2HB LYS 9 -8.321 -2.392 -18.157 83 HG2 LYS 9 1HG LYS 9 -9.563 -3.164 -20.636 84 HG3 LYS 9 2HG LYS 9 -8.762 -1.599 -20.789 85 HD2 LYS 9 1HD LYS 9 -6.741 -2.542 -20.741 86 HD3 LYS 9 2HD LYS 9 -7.143 -3.484 -19.303 87 HE2 LYS 9 1HE LYS 9 -8.192 -5.183 -20.663 88 HE3 LYS 9 2HE LYS 9 -7.943 -4.217 -22.117 89 HZ1 LYS 9 3HZ LYS 9 -5.563 -4.443 -21.829 90 HZ2 LYS 9 1HZ LYS 9 -6.288 -5.970 -21.902 91 HZ3 LYS 9 2HZ LYS 9 -5.786 -5.342 -20.414 92 H ASP 10 HN ASP 10 -8.657 -4.639 -17.408 93 HA ASP 10 HA ASP 10 -8.638 -6.609 -19.335 94 HB2 ASP 10 1HB ASP 10 -7.094 -6.348 -17.323 95 HB3 ASP 10 2HB ASP 10 -8.325 -7.198 -16.393 96 H LYS 11 HN LYS 11 -10.628 -6.489 -16.390 97 HA LYS 11 HA LYS 11 -12.008 -8.909 -16.912 98 HB2 LYS 11 1HB LYS 11 -12.182 -6.707 -14.973 99 HB3 LYS 11 2HB LYS 11 -13.721 -7.482 -15.323 100 HG2 LYS 11 1HG LYS 11 -13.141 -8.945 -13.748 101 HG3 LYS 11 2HG LYS 11 -12.060 -9.626 -14.966 102 HD2 LYS 11 1HD LYS 11 -10.197 -8.731 -14.009 103 HD3 LYS 11 2HD LYS 11 -11.058 -7.319 -13.394 104 HE2 LYS 11 1HE LYS 11 -12.224 -9.066 -11.844 105 HE3 LYS 11 2HE LYS 11 -10.817 -10.058 -12.224 106 HZ1 LYS 11 3HZ LYS 11 -9.494 -7.990 -11.539 107 HZ2 LYS 11 1HZ LYS 11 -10.193 -8.930 -10.318 108 HZ3 LYS 11 2HZ LYS 11 -10.925 -7.481 -10.793 109 H LEU 12 HN LEU 12 -13.023 -5.507 -17.252 110 HA LEU 12 HA LEU 12 -15.530 -5.887 -18.316 111 HB2 LEU 12 1HB LEU 12 -14.742 -3.700 -17.724 112 HB3 LEU 12 2HB LEU 12 -13.485 -3.770 -18.957 113 HG LEU 12 HG LEU 12 -15.914 -4.094 -20.323 114 HD11 LEU 12 1HD1 LEU 12 -17.372 -3.228 -18.810 115 HD12 LEU 12 2HD1 LEU 12 -16.812 -1.725 -19.542 116 HD13 LEU 12 3HD1 LEU 12 -16.138 -2.260 -18.003 117 HD21 LEU 12 3HD2 LEU 12 -13.872 -1.926 -20.036 118 HD22 LEU 12 1HD2 LEU 12 -15.308 -1.676 -21.028 119 HD23 LEU 12 2HD2 LEU 12 -14.192 -2.988 -21.408 120 H ALA 13 HN ALA 13 -12.427 -5.840 -20.027 121 HA ALA 13 HA ALA 13 -13.541 -6.168 -22.620 122 HB1 ALA 13 1HB ALA 13 -11.329 -5.237 -22.339 123 HB2 ALA 13 2HB ALA 13 -10.759 -6.735 -21.603 124 HB3 ALA 13 3HB ALA 13 -11.234 -6.712 -23.301 125 H TYR 14 HN TYR 14 -12.344 -8.407 -20.172 126 HA TYR 14 HA TYR 14 -12.518 -10.723 -21.832 127 HB2 TYR 14 1HB TYR 14 -11.029 -10.623 -19.874 128 HB3 TYR 14 2HB TYR 14 -12.429 -10.508 -18.814 129 HD1 TYR 14 1HD TYR 14 -11.373 -12.726 -21.642 130 HD2 TYR 14 2HD TYR 14 -12.892 -12.450 -17.677 131 HE1 TYR 14 1HE TYR 14 -11.471 -15.180 -21.515 132 HE2 TYR 14 2HE TYR 14 -12.994 -14.904 -17.539 133 HH TYR 14 HH TYR 14 -13.116 -16.827 -19.023 134 H PHE 15 HN PHE 15 -14.798 -8.856 -20.124 135 HA PHE 15 HA PHE 15 -16.740 -11.047 -20.027 136 HB2 PHE 15 1HB PHE 15 -16.940 -8.236 -18.926 137 HB3 PHE 15 2HB PHE 15 -18.117 -9.523 -18.685 138 HD1 PHE 15 2HD PHE 15 -15.873 -11.686 -18.380 139 HD2 PHE 15 1HD PHE 15 -16.618 -7.912 -16.556 140 HE1 PHE 15 2HE PHE 15 -14.657 -12.420 -16.371 141 HE2 PHE 15 1HE PHE 15 -15.402 -8.641 -14.545 142 HZ PHE 15 HZ PHE 15 -14.421 -10.897 -14.450 143 H ARG 16 HN ARG 16 -18.496 -11.139 -21.317 144 HA ARG 16 HA ARG 16 -18.566 -9.862 -23.767 145 HB2 ARG 16 1HB ARG 16 -19.915 -11.914 -22.775 146 HB3 ARG 16 2HB ARG 16 -21.147 -10.686 -22.517 147 HG2 ARG 16 1HG ARG 16 -21.496 -10.365 -24.758 148 HG3 ARG 16 2HG ARG 16 -19.871 -10.896 -25.197 149 HD2 ARG 16 1HD ARG 16 -22.022 -12.716 -24.129 150 HD3 ARG 16 2HD ARG 16 -21.682 -12.485 -25.843 151 HE ARG 16 HE ARG 16 -19.329 -13.219 -24.452 152 HH11 ARG 16 1HH1 ARG 16 -22.327 -14.518 -25.654 153 HH12 ARG 16 2HH1 ARG 16 -21.704 -16.123 -25.849 154 HH21 ARG 16 1HH2 ARG 16 -18.497 -15.328 -24.705 155 HH22 ARG 16 2HH2 ARG 16 -19.526 -16.583 -25.308 156 H ILE 17 HN ILE 17 -20.579 -8.553 -24.522 157 HA ILE 17 HA ILE 17 -20.397 -5.976 -23.582 158 HB ILE 17 HB ILE 17 -22.914 -7.127 -24.782 159 HG12 ILE 17 1HG1 ILE 17 -20.243 -6.547 -25.980 160 HG13 ILE 17 2HG1 ILE 17 -21.388 -7.828 -26.362 161 HG21 ILE 17 1HG2 ILE 17 -22.935 -4.788 -23.863 162 HG22 ILE 17 2HG2 ILE 17 -21.737 -4.374 -25.088 163 HG23 ILE 17 3HG2 ILE 17 -23.340 -4.928 -25.573 164 HD11 ILE 17 3HD1 ILE 17 -22.845 -5.876 -27.270 165 HD12 ILE 17 1HD1 ILE 17 -21.309 -5.011 -27.322 166 HD13 ILE 17 2HD1 ILE 17 -21.509 -6.509 -28.232 167 H LYS 18 HN LYS 18 -22.242 -8.611 -22.296 168 HA LYS 18 HA LYS 18 -24.259 -7.401 -20.891 169 HB2 LYS 18 1HB LYS 18 -22.966 -9.907 -20.855 170 HB3 LYS 18 2HB LYS 18 -22.986 -9.343 -19.189 171 HG2 LYS 18 1HG LYS 18 -24.939 -10.673 -19.608 172 HG3 LYS 18 2HG LYS 18 -25.421 -8.992 -19.370 173 HD2 LYS 18 1HD LYS 18 -24.881 -9.498 -22.151 174 HD3 LYS 18 2HD LYS 18 -26.055 -10.661 -21.530 175 HE2 LYS 18 1HE LYS 18 -27.530 -8.944 -20.841 176 HE3 LYS 18 2HE LYS 18 -26.299 -7.701 -21.058 177 HZ1 LYS 18 3HZ LYS 18 -26.523 -8.879 -23.514 178 HZ2 LYS 18 1HZ LYS 18 -27.184 -7.390 -23.056 179 HZ3 LYS 18 2HZ LYS 18 -28.121 -8.795 -22.963 180 H GLU 19 HN GLU 19 -20.900 -7.844 -19.797 181 HA GLU 19 HA GLU 19 -21.120 -6.665 -17.297 182 HB2 GLU 19 1HB GLU 19 -19.123 -7.876 -18.082 183 HB3 GLU 19 2HB GLU 19 -18.757 -6.552 -19.179 184 HG2 GLU 19 1HG GLU 19 -17.351 -6.219 -17.350 185 HG3 GLU 19 2HG GLU 19 -18.669 -5.072 -17.115 186 H LEU 20 HN LEU 20 -20.109 -5.104 -20.340 187 HA LEU 20 HA LEU 20 -19.943 -2.501 -19.297 188 HB2 LEU 20 1HB LEU 20 -20.588 -3.294 -22.132 189 HB3 LEU 20 2HB LEU 20 -19.931 -1.750 -21.592 190 HG LEU 20 HG LEU 20 -18.097 -3.644 -20.698 191 HD11 LEU 20 1HD1 LEU 20 -17.532 -4.850 -22.794 192 HD12 LEU 20 2HD1 LEU 20 -19.070 -4.314 -23.470 193 HD13 LEU 20 3HD1 LEU 20 -19.048 -5.372 -22.059 194 HD21 LEU 20 3HD2 LEU 20 -17.959 -2.026 -23.237 195 HD22 LEU 20 1HD2 LEU 20 -16.611 -2.588 -22.248 196 HD23 LEU 20 2HD2 LEU 20 -17.712 -1.360 -21.622 197 H LYS 21 HN LYS 21 -22.629 -4.361 -20.540 198 HA LYS 21 HA LYS 21 -24.468 -2.295 -20.973 199 HB2 LYS 21 1HB LYS 21 -24.613 -4.841 -21.503 200 HB3 LYS 21 2HB LYS 21 -25.307 -4.966 -19.892 201 HG2 LYS 21 1HG LYS 21 -26.799 -2.961 -20.892 202 HG3 LYS 21 2HG LYS 21 -26.451 -3.865 -22.368 203 HD2 LYS 21 1HD LYS 21 -27.270 -5.918 -21.264 204 HD3 LYS 21 2HD LYS 21 -27.685 -4.960 -19.840 205 HE2 LYS 21 1HE LYS 21 -29.670 -4.574 -20.763 206 HE3 LYS 21 2HE LYS 21 -28.852 -3.630 -22.006 207 HZ1 LYS 21 3HZ LYS 21 -28.913 -5.359 -23.488 208 HZ2 LYS 21 1HZ LYS 21 -30.364 -5.620 -22.658 209 HZ3 LYS 21 2HZ LYS 21 -29.001 -6.550 -22.290 210 H ASP 22 HN ASP 22 -23.890 -4.264 -18.069 211 HA ASP 22 HA ASP 22 -25.826 -2.943 -16.474 212 HB2 ASP 22 1HB ASP 22 -24.264 -5.196 -16.195 213 HB3 ASP 22 2HB ASP 22 -23.564 -4.094 -15.012 214 H ILE 23 HN ILE 23 -22.379 -2.450 -17.010 215 HA ILE 23 HA ILE 23 -21.966 -0.553 -14.961 216 HB ILE 23 HB ILE 23 -20.485 -0.899 -17.571 217 HG12 ILE 23 1HG1 ILE 23 -19.594 -1.805 -14.841 218 HG13 ILE 23 2HG1 ILE 23 -20.604 -2.826 -15.858 219 HG21 ILE 23 1HG2 ILE 23 -18.695 0.159 -15.822 220 HG22 ILE 23 2HG2 ILE 23 -19.599 1.087 -17.018 221 HG23 ILE 23 3HG2 ILE 23 -20.176 0.995 -15.354 222 HD11 ILE 23 3HD1 ILE 23 -18.098 -3.208 -15.934 223 HD12 ILE 23 1HD1 ILE 23 -18.935 -3.050 -17.478 224 HD13 ILE 23 2HD1 ILE 23 -18.009 -1.694 -16.835 225 H LEU 24 HN LEU 24 -22.474 -0.095 -18.462 226 HA LEU 24 HA LEU 24 -22.597 2.717 -18.358 227 HB2 LEU 24 1HB LEU 24 -22.581 2.449 -20.554 228 HB3 LEU 24 2HB LEU 24 -22.748 0.710 -20.323 229 HG LEU 24 HG LEU 24 -25.194 2.423 -20.336 230 HD11 LEU 24 1HD1 LEU 24 -23.651 2.945 -22.330 231 HD12 LEU 24 2HD1 LEU 24 -25.334 2.526 -22.651 232 HD13 LEU 24 3HD1 LEU 24 -24.067 1.322 -22.882 233 HD21 LEU 24 3HD2 LEU 24 -26.051 0.383 -20.078 234 HD22 LEU 24 1HD2 LEU 24 -24.509 -0.393 -20.442 235 HD23 LEU 24 2HD2 LEU 24 -25.591 0.079 -21.753 236 H ASN 25 HN ASN 25 -25.015 0.223 -17.918 237 HA ASN 25 HA ASN 25 -27.308 1.850 -18.128 238 HB2 ASN 25 1HB ASN 25 -27.937 -0.344 -18.188 239 HB3 ASN 25 2HB ASN 25 -26.689 -0.843 -17.050 240 HD21 ASN 25 1HD2 ASN 25 -27.124 -0.876 -14.886 241 HD22 ASN 25 2HD2 ASN 25 -28.705 -0.630 -14.233 242 H GLN 26 HN GLN 26 -25.278 0.952 -15.372 243 HA GLN 26 HA GLN 26 -26.887 2.387 -13.478 244 HB2 GLN 26 1HB GLN 26 -24.200 1.042 -13.342 245 HB3 GLN 26 2HB GLN 26 -24.821 1.986 -11.995 246 HG2 GLN 26 1HG GLN 26 -26.557 0.502 -11.589 247 HG3 GLN 26 2HG GLN 26 -26.452 -0.212 -13.197 248 HE21 GLN 26 1HE2 GLN 26 -23.928 -0.917 -13.505 249 HE22 GLN 26 2HE2 GLN 26 -23.422 -2.039 -12.292 250 H LEU 27 HN LEU 27 -24.069 3.063 -15.427 251 HA LEU 27 HA LEU 27 -23.222 5.395 -14.063 252 HB2 LEU 27 1HB LEU 27 -22.755 4.261 -16.789 253 HB3 LEU 27 2HB LEU 27 -22.208 5.893 -16.410 254 HG LEU 27 HG LEU 27 -21.396 3.686 -14.588 255 HD11 LEU 27 1HD1 LEU 27 -20.043 4.204 -17.230 256 HD12 LEU 27 2HD1 LEU 27 -21.044 2.797 -16.871 257 HD13 LEU 27 3HD1 LEU 27 -19.543 3.060 -15.985 258 HD21 LEU 27 3HD2 LEU 27 -19.710 5.100 -14.007 259 HD22 LEU 27 1HD2 LEU 27 -20.897 6.291 -14.541 260 HD23 LEU 27 2HD2 LEU 27 -19.590 5.803 -15.621 261 H GLY 28 HN GLY 28 -25.590 4.792 -16.576 262 HA2 GLY 28 2HA GLY 28 -27.453 6.190 -16.968 263 HA3 GLY 28 3HA GLY 28 -26.582 7.521 -16.221 264 H LEU 29 HN LEU 29 -25.552 5.352 -18.831 265 HA LEU 29 HA LEU 29 -25.286 7.724 -20.558 266 HB2 LEU 29 1HB LEU 29 -23.588 5.296 -20.199 267 HB3 LEU 29 2HB LEU 29 -23.607 6.114 -21.760 268 HG LEU 29 HG LEU 29 -21.706 6.814 -20.399 269 HD11 LEU 29 1HD1 LEU 29 -23.397 9.232 -20.327 270 HD12 LEU 29 2HD1 LEU 29 -23.277 8.400 -21.877 271 HD13 LEU 29 3HD1 LEU 29 -21.818 8.968 -21.067 272 HD21 LEU 29 3HD2 LEU 29 -23.426 8.280 -18.489 273 HD22 LEU 29 1HD2 LEU 29 -21.829 7.566 -18.265 274 HD23 LEU 29 2HD2 LEU 29 -23.263 6.539 -18.249 275 HA PRO 30 HA PRO 30 -28.414 4.814 -22.448 276 HB2 PRO 30 1HB PRO 30 -30.309 6.712 -22.863 277 HB3 PRO 30 2HB PRO 30 -30.176 5.802 -21.354 278 HG2 PRO 30 1HG PRO 30 -29.199 8.558 -21.996 279 HG3 PRO 30 2HG PRO 30 -30.014 7.972 -20.534 280 HD2 PRO 30 1HD PRO 30 -27.334 8.340 -20.661 281 HD3 PRO 30 2HD PRO 30 -28.077 7.073 -19.664 282 H LYS 31 HN LYS 31 -29.952 5.917 -24.462 283 HA LYS 31 HA LYS 31 -29.929 6.753 -26.594 284 HB2 LYS 31 1HB LYS 31 -27.118 7.741 -26.175 285 HB3 LYS 31 2HB LYS 31 -28.340 8.355 -27.281 286 HG2 LYS 31 1HG LYS 31 -29.587 8.754 -24.928 287 HG3 LYS 31 2HG LYS 31 -27.903 8.931 -24.431 288 HD2 LYS 31 1HD LYS 31 -28.691 10.320 -26.918 289 HD3 LYS 31 2HD LYS 31 -29.376 10.950 -25.418 290 HE2 LYS 31 1HE LYS 31 -26.902 10.773 -24.575 291 HE3 LYS 31 2HE LYS 31 -26.526 10.805 -26.297 292 HZ1 LYS 31 3HZ LYS 31 -26.894 12.977 -26.361 293 HZ2 LYS 31 1HZ LYS 31 -27.018 12.969 -24.674 294 HZ3 LYS 31 2HZ LYS 31 -28.409 12.823 -25.625 295 H GLN 32 HN GLN 32 -26.650 5.631 -25.739 296 HA GLN 32 HA GLN 32 -26.883 3.333 -27.430 297 HB2 GLN 32 1HB GLN 32 -25.260 3.874 -29.083 298 HB3 GLN 32 2HB GLN 32 -26.408 5.206 -29.049 299 HG2 GLN 32 1HG GLN 32 -23.732 5.204 -27.673 300 HG3 GLN 32 2HG GLN 32 -24.068 5.943 -29.237 301 HE21 GLN 32 1HE2 GLN 32 -24.411 6.197 -25.817 302 HE22 GLN 32 2HE2 GLN 32 -25.071 7.793 -25.785 303 H GLY 33 HN GLY 33 -24.274 2.655 -27.806 304 HA2 GLY 33 2HA GLY 33 -22.323 3.085 -26.002 305 HA3 GLY 33 3HA GLY 33 -23.449 2.096 -25.085 306 H LYS 34 HN LYS 34 -21.719 2.154 -28.193 307 HA LYS 34 HA LYS 34 -21.943 -0.642 -28.632 308 HB2 LYS 34 1HB LYS 34 -19.909 1.276 -29.781 309 HB3 LYS 34 2HB LYS 34 -20.335 -0.304 -30.426 310 HG2 LYS 34 1HG LYS 34 -21.757 0.778 -31.745 311 HG3 LYS 34 2HG LYS 34 -22.757 0.996 -30.307 312 HD2 LYS 34 1HD LYS 34 -22.156 3.183 -30.055 313 HD3 LYS 34 2HD LYS 34 -20.557 2.938 -30.760 314 HE2 LYS 34 1HE LYS 34 -21.845 4.284 -32.264 315 HE3 LYS 34 2HE LYS 34 -21.648 2.686 -32.983 316 HZ1 LYS 34 3HZ LYS 34 -24.064 3.701 -31.587 317 HZ2 LYS 34 1HZ LYS 34 -23.879 2.124 -32.171 318 HZ3 LYS 34 2HZ LYS 34 -23.903 3.428 -33.248 319 H LYS 35 HN LYS 35 -19.852 -1.968 -28.981 320 HA LYS 35 HA LYS 35 -18.711 -2.544 -26.529 321 HB2 LYS 35 1HB LYS 35 -18.722 -3.984 -28.611 322 HB3 LYS 35 2HB LYS 35 -17.358 -3.032 -29.184 323 HG2 LYS 35 1HG LYS 35 -16.146 -4.644 -28.209 324 HG3 LYS 35 2HG LYS 35 -16.471 -3.733 -26.733 325 HD2 LYS 35 1HD LYS 35 -18.679 -5.462 -27.242 326 HD3 LYS 35 2HD LYS 35 -17.190 -6.404 -27.346 327 HE2 LYS 35 1HE LYS 35 -17.397 -4.516 -25.083 328 HE3 LYS 35 2HE LYS 35 -18.477 -5.908 -25.040 329 HZ1 LYS 35 3HZ LYS 35 -16.597 -7.371 -25.222 330 HZ2 LYS 35 1HZ LYS 35 -16.343 -6.314 -23.925 331 HZ3 LYS 35 2HZ LYS 35 -15.532 -6.067 -25.388 332 H GLN 36 HN GLN 36 -17.414 -0.535 -29.150 333 HA GLN 36 HA GLN 36 -14.980 0.069 -27.800 334 HB2 GLN 36 1HB GLN 36 -16.371 1.072 -30.242 335 HB3 GLN 36 2HB GLN 36 -15.076 2.046 -29.559 336 HG2 GLN 36 1HG GLN 36 -14.753 -0.857 -30.262 337 HG3 GLN 36 2HG GLN 36 -14.413 0.458 -31.385 338 HE21 GLN 36 1HE2 GLN 36 -13.493 -1.017 -28.347 339 HE22 GLN 36 2HE2 GLN 36 -11.900 -0.353 -28.286 340 H ASP 37 HN ASP 37 -17.938 1.961 -28.399 341 HA ASP 37 HA ASP 37 -17.253 4.278 -27.063 342 HB2 ASP 37 1HB ASP 37 -19.666 3.069 -28.054 343 HB3 ASP 37 2HB ASP 37 -19.981 3.818 -26.491 344 H LEU 38 HN LEU 38 -18.755 1.348 -25.734 345 HA LEU 38 HA LEU 38 -19.009 2.296 -23.092 346 HB2 LEU 38 1HB LEU 38 -18.797 -0.493 -24.204 347 HB3 LEU 38 2HB LEU 38 -19.123 -0.146 -22.508 348 HG LEU 38 HG LEU 38 -20.884 0.577 -24.849 349 HD11 LEU 38 1HD1 LEU 38 -20.681 -1.861 -23.975 350 HD12 LEU 38 2HD1 LEU 38 -22.276 -1.158 -24.245 351 HD13 LEU 38 3HD1 LEU 38 -21.621 -1.257 -22.610 352 HD21 LEU 38 3HD2 LEU 38 -22.205 0.807 -22.356 353 HD22 LEU 38 1HD2 LEU 38 -21.859 2.072 -23.535 354 HD23 LEU 38 2HD2 LEU 38 -20.701 1.723 -22.252 355 H ILE 39 HN ILE 39 -16.578 0.103 -24.508 356 HA ILE 39 HA ILE 39 -14.941 -0.205 -22.313 357 HB ILE 39 HB ILE 39 -14.503 -0.335 -25.242 358 HG12 ILE 39 1HG1 ILE 39 -13.284 -2.366 -23.555 359 HG13 ILE 39 2HG1 ILE 39 -14.981 -2.125 -23.158 360 HG21 ILE 39 1HG2 ILE 39 -12.530 0.834 -24.806 361 HG22 ILE 39 2HG2 ILE 39 -12.296 0.043 -23.248 362 HG23 ILE 39 3HG2 ILE 39 -12.043 -0.859 -24.742 363 HD11 ILE 39 3HD1 ILE 39 -15.615 -3.258 -24.946 364 HD12 ILE 39 1HD1 ILE 39 -14.629 -2.248 -26.003 365 HD13 ILE 39 2HD1 ILE 39 -13.921 -3.663 -25.222 366 H ASP 40 HN ASP 40 -14.569 2.235 -24.888 367 HA ASP 40 HA ASP 40 -12.437 3.613 -23.694 368 HB2 ASP 40 1HB ASP 40 -13.854 3.809 -26.067 369 HB3 ASP 40 2HB ASP 40 -14.216 5.326 -25.248 370 H ARG 41 HN ARG 41 -15.885 3.783 -23.198 371 HA ARG 41 HA ARG 41 -15.931 6.273 -21.835 372 HB2 ARG 41 1HB ARG 41 -17.809 4.027 -22.274 373 HB3 ARG 41 2HB ARG 41 -18.106 5.015 -20.850 374 HG2 ARG 41 1HG ARG 41 -17.595 6.545 -23.292 375 HG3 ARG 41 2HG ARG 41 -19.047 5.543 -23.341 376 HD2 ARG 41 1HD ARG 41 -19.744 6.550 -21.179 377 HD3 ARG 41 2HD ARG 41 -18.351 7.626 -21.276 378 HE ARG 41 HE ARG 41 -20.810 7.828 -22.759 379 HH11 ARG 41 1HH1 ARG 41 -17.440 8.694 -22.642 380 HH12 ARG 41 2HH1 ARG 41 -17.628 10.083 -23.660 381 HH21 ARG 41 1HH2 ARG 41 -21.070 9.655 -24.100 382 HH22 ARG 41 2HH2 ARG 41 -19.693 10.630 -24.488 383 H VAL 42 HN VAL 42 -15.904 2.905 -20.691 384 HA VAL 42 HA VAL 42 -15.951 3.432 -17.950 385 HB VAL 42 HB VAL 42 -14.748 1.130 -19.482 386 HG11 VAL 42 1HG1 VAL 42 -15.001 1.529 -16.509 387 HG12 VAL 42 2HG1 VAL 42 -14.784 -0.053 -17.260 388 HG13 VAL 42 3HG1 VAL 42 -13.542 1.187 -17.437 389 HG21 VAL 42 3HG2 VAL 42 -17.402 1.839 -18.583 390 HG22 VAL 42 1HG2 VAL 42 -16.888 0.546 -19.667 391 HG23 VAL 42 2HG2 VAL 42 -16.892 0.285 -17.923 392 H LEU 43 HN LEU 43 -13.119 2.740 -20.008 393 HA LEU 43 HA LEU 43 -11.174 3.182 -18.051 394 HB2 LEU 43 1HB LEU 43 -10.821 3.770 -20.978 395 HB3 LEU 43 2HB LEU 43 -9.592 3.274 -19.817 396 HG LEU 43 HG LEU 43 -11.697 1.615 -21.159 397 HD11 LEU 43 1HD1 LEU 43 -8.919 2.018 -21.474 398 HD12 LEU 43 2HD1 LEU 43 -9.965 0.885 -22.329 399 HD13 LEU 43 3HD1 LEU 43 -9.148 0.385 -20.848 400 HD21 LEU 43 3HD2 LEU 43 -10.948 -0.231 -19.610 401 HD22 LEU 43 1HD2 LEU 43 -11.991 0.997 -18.894 402 HD23 LEU 43 2HD2 LEU 43 -10.255 1.025 -18.584 403 H ALA 44 HN ALA 44 -12.778 5.412 -20.257 404 HA ALA 44 HA ALA 44 -11.145 7.660 -19.709 405 HB1 ALA 44 1HB ALA 44 -12.378 7.835 -21.669 406 HB2 ALA 44 2HB ALA 44 -13.873 7.310 -20.893 407 HB3 ALA 44 3HB ALA 44 -13.227 8.918 -20.567 408 H LEU 45 HN LEU 45 -13.801 6.190 -18.035 409 HA LEU 45 HA LEU 45 -14.414 8.490 -16.419 410 HB2 LEU 45 1HB LEU 45 -16.280 7.328 -16.157 411 HB3 LEU 45 2HB LEU 45 -15.547 5.920 -16.922 412 HG LEU 45 HG LEU 45 -14.576 5.395 -14.613 413 HD11 LEU 45 1HD1 LEU 45 -15.050 6.688 -12.873 414 HD12 LEU 45 2HD1 LEU 45 -16.773 6.663 -13.246 415 HD13 LEU 45 3HD1 LEU 45 -15.724 7.860 -14.006 416 HD21 LEU 45 3HD2 LEU 45 -16.476 4.127 -14.028 417 HD22 LEU 45 1HD2 LEU 45 -16.520 4.269 -15.786 418 HD23 LEU 45 2HD2 LEU 45 -17.576 5.275 -14.793 419 H LEU 46 HN LEU 46 -12.682 5.432 -15.952 420 HA LEU 46 HA LEU 46 -11.944 6.102 -13.247 421 HB2 LEU 46 1HB LEU 46 -10.664 3.934 -14.865 422 HB3 LEU 46 2HB LEU 46 -10.957 3.998 -13.128 423 HG LEU 46 HG LEU 46 -13.148 3.709 -15.176 424 HD11 LEU 46 1HD1 LEU 46 -13.137 1.373 -14.816 425 HD12 LEU 46 2HD1 LEU 46 -11.954 1.505 -13.515 426 HD13 LEU 46 3HD1 LEU 46 -11.471 1.825 -15.180 427 HD21 LEU 46 3HD2 LEU 46 -13.745 4.617 -12.939 428 HD22 LEU 46 1HD2 LEU 46 -13.124 3.132 -12.218 429 HD23 LEU 46 2HD2 LEU 46 -14.510 3.071 -13.308 430 H THR 47 HN THR 47 -10.819 6.960 -16.281 431 HA THR 47 HA THR 47 -8.091 7.440 -15.285 432 HB THR 47 HB THR 47 -9.084 7.410 -18.142 433 HG1 THR 47 1HG THR 47 -7.224 5.592 -17.056 434 HG21 THR 47 3HG2 THR 47 -6.431 8.023 -16.899 435 HG22 THR 47 1HG2 THR 47 -7.276 8.863 -18.198 436 HG23 THR 47 2HG2 THR 47 -6.510 7.305 -18.507 437 H ASP 48 HN ASP 48 -10.361 8.991 -17.564 438 HA ASP 48 HA ASP 48 -9.241 11.584 -17.086 439 HB2 ASP 48 1HB ASP 48 -11.095 10.388 -18.948 440 HB3 ASP 48 2HB ASP 48 -11.747 11.899 -18.322 441 H GLU 49 HN GLU 49 -11.426 9.676 -15.407 442 HA GLU 49 HA GLU 49 -12.408 12.026 -13.938 443 HB2 GLU 49 1HB GLU 49 -13.969 10.058 -15.371 444 HB3 GLU 49 2HB GLU 49 -14.372 10.045 -13.660 445 HG2 GLU 49 1HG GLU 49 -14.200 12.746 -14.582 446 HG3 GLU 49 2HG GLU 49 -15.269 11.822 -15.635 447 H GLN 50 HN GLN 50 -10.223 10.002 -13.542 448 HA GLN 50 HA GLN 50 -10.844 8.163 -11.551 449 HB2 GLN 50 1HB GLN 50 -8.535 7.989 -11.148 450 HB3 GLN 50 2HB GLN 50 -8.655 8.453 -12.840 451 HG2 GLN 50 1HG GLN 50 -8.389 10.629 -10.852 452 HG3 GLN 50 2HG GLN 50 -6.977 9.617 -11.147 453 HE21 GLN 50 1HE2 GLN 50 -9.326 11.744 -12.648 454 HE22 GLN 50 2HE2 GLN 50 -8.349 12.176 -14.006 455 H GLY 51 HN GLY 51 -10.680 11.590 -11.404 456 HA2 GLY 51 2HA GLY 51 -11.102 13.064 -9.694 457 HA3 GLY 51 3HA GLY 51 -11.735 11.697 -8.789 458 H GLN 52 HN GLN 52 -8.468 12.427 -9.997 459 HA GLN 52 HA GLN 52 -7.419 11.819 -7.340 460 HB2 GLN 52 1HB GLN 52 -6.280 11.900 -10.094 461 HB3 GLN 52 2HB GLN 52 -5.192 12.184 -8.741 462 HG2 GLN 52 1HG GLN 52 -6.996 9.812 -8.697 463 HG3 GLN 52 2HG GLN 52 -5.537 9.782 -9.686 464 HE21 GLN 52 1HE2 GLN 52 -3.671 10.980 -8.266 465 HE22 GLN 52 2HE2 GLN 52 -3.412 10.197 -6.748 466 H ARG 53 HN ARG 53 -8.838 14.253 -7.624 467 HA ARG 53 HA ARG 53 -6.694 16.128 -6.944 468 HB2 ARG 53 1HB ARG 53 -8.902 16.617 -8.938 469 HB3 ARG 53 2HB ARG 53 -8.040 17.931 -8.149 470 HG2 ARG 53 1HG ARG 53 -6.070 16.206 -9.151 471 HG3 ARG 53 2HG ARG 53 -7.281 16.368 -10.423 472 HD2 ARG 53 1HD ARG 53 -6.910 18.609 -10.682 473 HD3 ARG 53 2HD ARG 53 -6.404 18.827 -9.007 474 HE ARG 53 HE ARG 53 -4.421 17.322 -10.074 475 HH11 ARG 53 1HH1 ARG 53 -5.925 20.324 -10.991 476 HH12 ARG 53 2HH1 ARG 53 -4.498 20.962 -11.739 477 HH21 ARG 53 1HH2 ARG 53 -2.535 18.150 -11.056 478 HH22 ARG 53 2HH2 ARG 53 -2.571 19.724 -11.776 479 H HIS 54 HN HIS 54 -10.125 15.322 -6.865 480 HA HIS 54 HA HIS 54 -10.407 15.990 -4.145 481 HB2 HIS 54 1HB HIS 54 -10.259 18.294 -5.311 482 HB3 HIS 54 2HB HIS 54 -11.879 17.937 -5.904 483 HD1 HIS 54 1HD HIS 54 -13.668 17.382 -3.898 484 HD2 HIS 54 2HD HIS 54 -10.219 19.455 -2.863 485 HE1 HIS 54 1HE HIS 54 -14.170 18.459 -1.682 486 H HIS 55 HN HIS 55 -11.084 13.725 -5.225 487 HA HIS 55 HA HIS 55 -13.756 13.646 -6.262 488 HB2 HIS 55 1HB HIS 55 -13.520 11.227 -6.158 489 HB3 HIS 55 2HB HIS 55 -12.061 11.939 -6.841 490 HD1 HIS 55 1HD HIS 55 -13.182 9.640 -4.281 491 HD2 HIS 55 2HD HIS 55 -9.893 12.115 -4.846 492 HE1 HIS 55 1HE HIS 55 -11.425 8.796 -2.693 493 H GLY 56 HN GLY 56 -15.007 11.609 -4.967 494 HA2 GLY 56 2HA GLY 56 -15.479 11.007 -2.581 495 HA3 GLY 56 3HA GLY 56 -15.436 12.736 -2.269 496 H TRP 57 HN TRP 57 -16.874 11.368 -5.148 497 HA TRP 57 HA TRP 57 -19.517 12.177 -4.127 498 HB2 TRP 57 1HB TRP 57 -19.472 11.976 -6.992 499 HB3 TRP 57 2HB TRP 57 -19.812 13.381 -5.987 500 HD1 TRP 57 HD TRP 57 -17.730 15.018 -5.427 501 HE1 TRP 57 1HE TRP 57 -15.521 15.426 -6.683 502 HE3 TRP 57 3HE TRP 57 -17.703 10.855 -8.395 503 HZ2 TRP 57 2HZ TRP 57 -13.972 14.152 -8.669 504 HZ3 TRP 57 3HZ TRP 57 -15.821 10.525 -9.946 505 HH2 TRP 57 HH TRP 57 -13.996 12.141 -10.079 506 H GLY 58 HN GLY 58 -17.629 9.647 -5.524 507 HA2 GLY 58 2HA GLY 58 -19.842 8.039 -6.399 508 HA3 GLY 58 3HA GLY 58 -18.168 7.522 -6.257 509 H ARG 59 HN ARG 59 -20.389 8.813 -3.803 510 HA ARG 59 HA ARG 59 -19.623 6.749 -1.957 511 HB2 ARG 59 1HB ARG 59 -20.748 9.322 -1.772 512 HB3 ARG 59 2HB ARG 59 -21.954 8.221 -1.120 513 HG2 ARG 59 1HG ARG 59 -20.746 8.709 0.759 514 HG3 ARG 59 2HG ARG 59 -19.920 7.251 0.205 515 HD2 ARG 59 1HD ARG 59 -18.105 8.583 0.537 516 HD3 ARG 59 2HD ARG 59 -18.477 9.034 -1.126 517 HE ARG 59 HE ARG 59 -19.086 11.124 -0.396 518 HH11 ARG 59 1HH1 ARG 59 -18.780 8.981 2.330 519 HH12 ARG 59 2HH1 ARG 59 -18.914 10.246 3.506 520 HH21 ARG 59 1HH2 ARG 59 -19.263 12.799 1.142 521 HH22 ARG 59 2HH2 ARG 59 -19.190 12.417 2.829 522 H LYS 60 HN LYS 60 -22.225 7.298 -4.180 523 HA LYS 60 HA LYS 60 -23.130 4.682 -4.203 524 HB2 LYS 60 1HB LYS 60 -25.391 5.095 -3.039 525 HB3 LYS 60 2HB LYS 60 -23.985 4.783 -2.029 526 HG2 LYS 60 1HG LYS 60 -23.971 6.872 -1.162 527 HG3 LYS 60 2HG LYS 60 -24.570 7.613 -2.648 528 HD2 LYS 60 1HD LYS 60 -26.515 5.836 -1.408 529 HD3 LYS 60 2HD LYS 60 -26.030 7.164 -0.350 530 HE2 LYS 60 1HE LYS 60 -26.784 7.663 -3.207 531 HE3 LYS 60 2HE LYS 60 -28.020 7.510 -1.960 532 HZ1 LYS 60 3HZ LYS 60 -26.141 9.660 -2.446 533 HZ2 LYS 60 1HZ LYS 60 -26.341 9.243 -0.819 534 HZ3 LYS 60 2HZ LYS 60 -27.680 9.703 -1.744 535 H ASN 61 HN ASN 61 -22.773 5.919 -6.335 536 HA ASN 61 HA ASN 61 -25.389 6.923 -7.242 537 HB2 ASN 61 1HB ASN 61 -23.881 8.198 -8.980 538 HB3 ASN 61 2HB ASN 61 -24.153 8.873 -7.377 539 HD21 ASN 61 1HD2 ASN 61 -22.071 6.168 -8.218 540 HD22 ASN 61 2HD2 ASN 61 -20.589 6.928 -7.758 541 H SER 62 HN SER 62 -23.146 4.515 -7.484 542 HA SER 62 HA SER 62 -22.677 2.873 -8.995 543 HB2 SER 62 1HB SER 62 -25.352 3.347 -10.266 544 HB3 SER 62 2HB SER 62 -24.543 1.822 -9.908 545 HG SER 62 HG SER 62 -24.841 2.606 -7.601 546 H LEU 63 HN LEU 63 -21.579 5.254 -9.757 547 HA LEU 63 HA LEU 63 -21.494 4.933 -12.638 548 HB2 LEU 63 1HB LEU 63 -21.763 7.353 -13.048 549 HB3 LEU 63 2HB LEU 63 -23.227 6.575 -12.448 550 HG LEU 63 HG LEU 63 -22.492 7.467 -10.142 551 HD11 LEU 63 1HD1 LEU 63 -21.254 9.687 -10.468 552 HD12 LEU 63 2HD1 LEU 63 -20.714 9.005 -12.002 553 HD13 LEU 63 3HD1 LEU 63 -20.306 8.200 -10.486 554 HD21 LEU 63 3HD2 LEU 63 -23.518 9.197 -12.380 555 HD22 LEU 63 1HD2 LEU 63 -23.490 9.716 -10.695 556 HD23 LEU 63 2HD2 LEU 63 -24.450 8.315 -11.170 557 H THR 64 HN THR 64 -19.788 4.708 -10.134 558 HA THR 64 HA THR 64 -17.505 6.245 -11.181 559 HB THR 64 HB THR 64 -17.433 5.694 -8.291 560 HG1 THR 64 1HG THR 64 -18.995 7.907 -9.010 561 HG21 THR 64 3HG2 THR 64 -15.739 7.106 -8.725 562 HG22 THR 64 1HG2 THR 64 -16.975 8.362 -8.682 563 HG23 THR 64 2HG2 THR 64 -16.472 7.672 -10.225 564 H LYS 65 HN LYS 65 -15.442 5.343 -9.849 565 HA LYS 65 HA LYS 65 -14.796 2.898 -10.910 566 HB2 LYS 65 1HB LYS 65 -13.057 2.794 -9.035 567 HB3 LYS 65 2HB LYS 65 -13.017 4.199 -10.092 568 HG2 LYS 65 1HG LYS 65 -14.725 4.660 -7.813 569 HG3 LYS 65 2HG LYS 65 -13.098 4.189 -7.317 570 HD2 LYS 65 1HD LYS 65 -13.299 6.184 -9.494 571 HD3 LYS 65 2HD LYS 65 -13.785 6.718 -7.883 572 HE2 LYS 65 1HE LYS 65 -11.566 7.194 -7.750 573 HE3 LYS 65 2HE LYS 65 -11.509 5.511 -7.226 574 HZ1 LYS 65 3HZ LYS 65 -10.573 6.715 -9.704 575 HZ2 LYS 65 1HZ LYS 65 -11.284 5.186 -9.840 576 HZ3 LYS 65 2HZ LYS 65 -9.947 5.410 -8.830 577 H GLU 66 HN GLU 66 -16.486 3.584 -7.926 578 HA GLU 66 HA GLU 66 -16.268 1.060 -6.712 579 HB2 GLU 66 1HB GLU 66 -18.198 3.337 -6.480 580 HB3 GLU 66 2HB GLU 66 -18.563 1.813 -5.683 581 HG2 GLU 66 1HG GLU 66 -17.310 3.703 -4.408 582 HG3 GLU 66 2HG GLU 66 -16.843 2.017 -4.189 583 H ALA 67 HN ALA 67 -18.772 2.394 -8.853 584 HA ALA 67 HA ALA 67 -20.408 0.099 -8.887 585 HB1 ALA 67 1HB ALA 67 -21.747 1.368 -10.137 586 HB2 ALA 67 2HB ALA 67 -20.560 2.655 -9.919 587 HB3 ALA 67 3HB ALA 67 -20.496 1.630 -11.353 588 H VAL 68 HN VAL 68 -17.961 1.245 -11.210 589 HA VAL 68 HA VAL 68 -18.146 -0.849 -13.035 590 HB VAL 68 HB VAL 68 -15.625 0.645 -12.302 591 HG11 VAL 68 1HG1 VAL 68 -16.401 -0.602 -14.932 592 HG12 VAL 68 2HG1 VAL 68 -14.840 0.090 -14.484 593 HG13 VAL 68 3HG1 VAL 68 -15.394 -1.404 -13.727 594 HG21 VAL 68 3HG2 VAL 68 -17.878 1.367 -14.166 595 HG22 VAL 68 1HG2 VAL 68 -17.292 2.276 -12.773 596 HG23 VAL 68 2HG2 VAL 68 -16.290 2.131 -14.217 597 H ALA 69 HN ALA 69 -16.079 -0.537 -10.164 598 HA ALA 69 HA ALA 69 -14.824 -3.075 -10.513 599 HB1 ALA 69 1HB ALA 69 -13.710 -1.310 -9.285 600 HB2 ALA 69 2HB ALA 69 -15.001 -1.299 -8.082 601 HB3 ALA 69 3HB ALA 69 -13.954 -2.710 -8.240 602 H LYS 70 HN LYS 70 -17.777 -2.003 -9.071 603 HA LYS 70 HA LYS 70 -18.200 -4.162 -7.291 604 HB2 LYS 70 1HB LYS 70 -19.473 -2.137 -7.030 605 HB3 LYS 70 2HB LYS 70 -20.129 -2.281 -8.656 606 HG2 LYS 70 1HG LYS 70 -21.490 -4.108 -8.054 607 HG3 LYS 70 2HG LYS 70 -20.640 -4.332 -6.523 608 HD2 LYS 70 1HD LYS 70 -22.337 -3.152 -5.647 609 HD3 LYS 70 2HD LYS 70 -21.492 -1.751 -6.309 610 HE2 LYS 70 1HE LYS 70 -23.338 -3.226 -8.105 611 HE3 LYS 70 2HE LYS 70 -24.054 -2.247 -6.825 612 HZ1 LYS 70 3HZ LYS 70 -23.798 -0.990 -8.874 613 HZ2 LYS 70 1HZ LYS 70 -22.130 -1.272 -8.867 614 HZ3 LYS 70 2HZ LYS 70 -22.834 -0.335 -7.647 615 H ILE 71 HN ILE 71 -19.350 -3.560 -10.604 616 HA ILE 71 HA ILE 71 -20.647 -6.095 -10.822 617 HB ILE 71 HB ILE 71 -19.780 -4.388 -13.144 618 HG12 ILE 71 1HG1 ILE 71 -20.880 -2.900 -11.571 619 HG13 ILE 71 2HG1 ILE 71 -21.961 -3.222 -12.922 620 HG21 ILE 71 1HG2 ILE 71 -21.686 -5.345 -14.255 621 HG22 ILE 71 2HG2 ILE 71 -20.706 -6.646 -13.580 622 HG23 ILE 71 3HG2 ILE 71 -22.194 -6.153 -12.772 623 HD11 ILE 71 3HD1 ILE 71 -23.126 -3.238 -10.777 624 HD12 ILE 71 1HD1 ILE 71 -23.203 -4.807 -11.578 625 HD13 ILE 71 2HD1 ILE 71 -22.092 -4.559 -10.230 626 H VAL 72 HN VAL 72 -17.519 -4.800 -11.818 627 HA VAL 72 HA VAL 72 -16.690 -7.011 -13.362 628 HB VAL 72 HB VAL 72 -15.193 -4.814 -11.965 629 HG11 VAL 72 1HG1 VAL 72 -13.264 -5.854 -13.490 630 HG12 VAL 72 2HG1 VAL 72 -13.490 -6.305 -11.799 631 HG13 VAL 72 3HG1 VAL 72 -14.124 -7.338 -13.081 632 HG21 VAL 72 3HG2 VAL 72 -16.336 -4.171 -13.976 633 HG22 VAL 72 1HG2 VAL 72 -14.606 -4.235 -14.313 634 HG23 VAL 72 2HG2 VAL 72 -15.659 -5.542 -14.854 635 H ASP 73 HN ASP 73 -16.379 -6.248 -9.931 636 HA ASP 73 HA ASP 73 -14.709 -8.480 -9.320 637 HB2 ASP 73 1HB ASP 73 -16.324 -6.564 -7.653 638 HB3 ASP 73 2HB ASP 73 -15.493 -7.936 -6.925 639 H ASP 74 HN ASP 74 -18.173 -7.817 -8.870 640 HA ASP 74 HA ASP 74 -18.816 -10.311 -7.729 641 HB2 ASP 74 1HB ASP 74 -20.539 -8.361 -9.271 642 HB3 ASP 74 2HB ASP 74 -21.160 -9.744 -8.374 643 H THR 75 HN THR 75 -18.676 -9.193 -11.064 644 HA THR 75 HA THR 75 -19.819 -11.571 -12.172 645 HB THR 75 HB THR 75 -18.202 -9.385 -13.496 646 HG1 THR 75 1HG THR 75 -21.013 -9.864 -13.385 647 HG21 THR 75 3HG2 THR 75 -19.194 -10.254 -15.596 648 HG22 THR 75 1HG2 THR 75 -19.841 -11.622 -14.692 649 HG23 THR 75 2HG2 THR 75 -18.097 -11.402 -14.830 650 H TYR 76 HN TYR 76 -16.562 -10.416 -11.528 651 HA TYR 76 HA TYR 76 -15.259 -12.529 -12.953 652 HB2 TYR 76 1HB TYR 76 -14.171 -10.352 -12.572 653 HB3 TYR 76 2HB TYR 76 -14.171 -10.657 -10.839 654 HD1 TYR 76 1HD TYR 76 -12.992 -12.227 -14.019 655 HD2 TYR 76 2HD TYR 76 -12.264 -11.546 -9.883 656 HE1 TYR 76 1HE TYR 76 -10.812 -13.348 -14.224 657 HE2 TYR 76 2HE TYR 76 -10.082 -12.663 -10.076 658 HH TYR 76 HH TYR 76 -8.645 -13.675 -11.426 659 H ARG 77 HN ARG 77 -16.271 -11.981 -9.637 660 HA ARG 77 HA ARG 77 -14.912 -14.296 -8.607 661 HB2 ARG 77 1HB ARG 77 -15.877 -13.747 -6.510 662 HB3 ARG 77 2HB ARG 77 -15.474 -12.217 -7.279 663 HG2 ARG 77 1HG ARG 77 -17.830 -11.994 -7.986 664 HG3 ARG 77 2HG ARG 77 -18.202 -13.476 -7.102 665 HD2 ARG 77 1HD ARG 77 -18.692 -11.335 -5.877 666 HD3 ARG 77 2HD ARG 77 -17.654 -12.476 -5.023 667 HE ARG 77 HE ARG 77 -16.223 -10.496 -6.546 668 HH11 ARG 77 1HH1 ARG 77 -17.711 -11.254 -3.492 669 HH12 ARG 77 2HH1 ARG 77 -16.758 -10.117 -2.597 670 HH21 ARG 77 1HH2 ARG 77 -14.962 -8.996 -5.380 671 HH22 ARG 77 2HH2 ARG 77 -15.195 -8.832 -3.672 672 H LYS 78 HN LYS 78 -18.139 -13.519 -9.743 673 HA LYS 78 HA LYS 78 -19.295 -16.001 -8.873 674 HB2 LYS 78 1HB LYS 78 -21.299 -15.254 -9.883 675 HB3 LYS 78 2HB LYS 78 -20.541 -13.812 -9.220 676 HG2 LYS 78 1HG LYS 78 -21.092 -13.001 -11.257 677 HG3 LYS 78 2HG LYS 78 -19.522 -13.693 -11.670 678 HD2 LYS 78 1HD LYS 78 -20.532 -14.942 -13.208 679 HD3 LYS 78 2HD LYS 78 -21.390 -15.779 -11.914 680 HE2 LYS 78 1HE LYS 78 -23.119 -13.982 -12.000 681 HE3 LYS 78 2HE LYS 78 -22.294 -13.324 -13.413 682 HZ1 LYS 78 3HZ LYS 78 -24.217 -15.306 -13.372 683 HZ2 LYS 78 1HZ LYS 78 -22.768 -16.094 -13.750 684 HZ3 LYS 78 2HZ LYS 78 -23.300 -14.800 -14.700 685 H MET 79 HN MET 79 -17.886 -14.746 -11.835 686 HA MET 79 HA MET 79 -18.666 -17.014 -13.421 687 HB2 MET 79 1HB MET 79 -18.247 -14.667 -14.294 688 HB3 MET 79 2HB MET 79 -16.531 -14.988 -14.083 689 HG2 MET 79 1HG MET 79 -17.474 -17.170 -15.514 690 HG3 MET 79 2HG MET 79 -18.312 -15.784 -16.207 691 HE1 MET 79 3HE MET 79 -17.184 -14.329 -18.114 692 HE2 MET 79 1HE MET 79 -16.930 -13.493 -16.582 693 HE3 MET 79 2HE MET 79 -15.609 -13.626 -17.743 694 H GLN 80 HN GLN 80 -15.626 -15.848 -11.993 695 HA GLN 80 HA GLN 80 -14.160 -18.170 -12.824 696 HB2 GLN 80 1HB GLN 80 -13.318 -15.739 -12.297 697 HB3 GLN 80 2HB GLN 80 -13.216 -16.344 -10.649 698 HG2 GLN 80 1HG GLN 80 -11.140 -16.916 -11.261 699 HG3 GLN 80 2HG GLN 80 -11.946 -18.322 -11.954 700 HE21 GLN 80 1HE2 GLN 80 -12.597 -18.141 -14.231 701 HE22 GLN 80 2HE2 GLN 80 -11.579 -17.255 -15.309 702 H ILE 81 HN ILE 81 -15.535 -17.003 -9.775 703 HA ILE 81 HA ILE 81 -16.102 -18.081 -7.853 704 HB ILE 81 HB ILE 81 -15.672 -20.718 -9.228 705 HG12 ILE 81 1HG1 ILE 81 -18.057 -18.875 -9.501 706 HG13 ILE 81 2HG1 ILE 81 -16.944 -19.333 -10.786 707 HG21 ILE 81 1HG2 ILE 81 -16.656 -19.928 -6.716 708 HG22 ILE 81 2HG2 ILE 81 -18.046 -20.487 -7.645 709 HG23 ILE 81 3HG2 ILE 81 -16.654 -21.546 -7.418 710 HD11 ILE 81 3HD1 ILE 81 -19.304 -20.659 -9.869 711 HD12 ILE 81 1HD1 ILE 81 -18.299 -21.006 -11.276 712 HD13 ILE 81 2HD1 ILE 81 -17.912 -21.730 -9.715 713 H GLN 82 HN GLN 82 -13.260 -17.576 -8.651 714 HA GLN 82 HA GLN 82 -11.683 -19.681 -7.543 715 HB2 GLN 82 1HB GLN 82 -11.166 -17.450 -9.079 716 HB3 GLN 82 2HB GLN 82 -10.465 -17.021 -7.524 717 HG2 GLN 82 1HG GLN 82 -8.834 -18.066 -9.006 718 HG3 GLN 82 2HG GLN 82 -9.105 -19.020 -7.548 719 HE21 GLN 82 1HE2 GLN 82 -9.905 -21.052 -7.715 720 HE22 GLN 82 2HE2 GLN 82 -10.227 -21.843 -9.216 721 H CYS 83 HN CYS 83 -9.906 -18.502 -5.854 722 HA CYS 83 HA CYS 83 -11.458 -18.345 -3.420 723 HB2 CYS 83 1HB CYS 83 -8.523 -18.518 -4.043 724 HB3 CYS 83 2HB CYS 83 -9.072 -18.118 -2.420 725 HG CYS 83 HG CYS 83 -9.103 -20.591 -1.742 726 H ALA 84 HN ALA 84 -12.253 -16.210 -4.688 727 HA ALA 84 HA ALA 84 -12.546 -13.962 -4.469 728 HB1 ALA 84 1HB ALA 84 -11.564 -14.786 -1.997 729 HB2 ALA 84 2HB ALA 84 -10.599 -13.373 -2.424 730 HB3 ALA 84 3HB ALA 84 -12.358 -13.256 -2.370 731 HA PRO 85 HA PRO 85 -9.260 -12.588 -7.119 732 HB2 PRO 85 1HB PRO 85 -10.330 -10.163 -7.706 733 HB3 PRO 85 2HB PRO 85 -10.915 -11.669 -8.423 734 HG2 PRO 85 1HG PRO 85 -12.033 -10.103 -6.130 735 HG3 PRO 85 2HG PRO 85 -12.886 -10.878 -7.477 736 HD2 PRO 85 1HD PRO 85 -12.728 -11.997 -5.016 737 HD3 PRO 85 2HD PRO 85 -12.789 -12.965 -6.504 738 H ASP 86 HN ASP 86 -10.009 -11.470 -4.060 739 HA ASP 86 HA ASP 86 -8.820 -10.291 -2.515 740 HB2 ASP 86 1HB ASP 86 -6.868 -11.399 -3.806 741 HB3 ASP 86 2HB ASP 86 -6.651 -9.813 -4.542 742 H LEU 87 HN LEU 87 -10.767 -8.895 -3.539 743 HA LEU 87 HA LEU 87 -10.073 -6.539 -4.942 744 HB2 LEU 87 1HB LEU 87 -12.338 -7.319 -4.946 745 HB3 LEU 87 2HB LEU 87 -12.428 -7.210 -3.189 746 HG LEU 87 HG LEU 87 -12.341 -4.780 -3.318 747 HD11 LEU 87 1HD1 LEU 87 -12.771 -3.975 -5.831 748 HD12 LEU 87 2HD1 LEU 87 -11.724 -5.357 -6.149 749 HD13 LEU 87 3HD1 LEU 87 -11.165 -4.050 -5.106 750 HD21 LEU 87 3HD2 LEU 87 -14.539 -5.461 -3.294 751 HD22 LEU 87 1HD2 LEU 87 -14.417 -6.277 -4.853 752 HD23 LEU 87 2HD2 LEU 87 -14.487 -4.516 -4.784 753 H ALA 88 HN ALA 88 -9.442 -7.489 -1.786 754 HA ALA 88 HA ALA 88 -8.471 -6.426 -0.020 755 HB1 ALA 88 1HB ALA 88 -7.728 -4.896 -2.265 756 HB2 ALA 88 2HB ALA 88 -8.178 -3.757 -0.996 757 HB3 ALA 88 3HB ALA 88 -6.937 -4.972 -0.691 758 H THR 89 HN THR 89 -11.398 -6.314 -0.613 759 HA THR 89 HA THR 89 -13.281 -5.484 0.360 760 HB THR 89 HB THR 89 -11.653 -3.871 2.291 761 HG1 THR 89 1HG THR 89 -11.441 -5.870 3.512 762 HG21 THR 89 3HG2 THR 89 -14.261 -5.352 2.322 763 HG22 THR 89 1HG2 THR 89 -13.936 -3.665 2.721 764 HG23 THR 89 2HG2 THR 89 -13.435 -4.945 3.826 765 H ARG 90 HN ARG 90 -11.520 -3.875 -1.602 766 HA ARG 90 HA ARG 90 -11.579 -1.865 -2.670 767 HB2 ARG 90 1HB ARG 90 -14.285 -2.508 -1.881 768 HB3 ARG 90 2HB ARG 90 -14.049 -0.766 -1.929 769 HG2 ARG 90 1HG ARG 90 -13.024 -2.319 -4.227 770 HG3 ARG 90 2HG ARG 90 -14.776 -2.188 -4.056 771 HD2 ARG 90 1HD ARG 90 -13.905 -0.398 -5.459 772 HD3 ARG 90 2HD ARG 90 -14.585 0.248 -3.966 773 HE ARG 90 HE ARG 90 -12.522 1.066 -3.450 774 HH11 ARG 90 1HH1 ARG 90 -12.151 -1.476 -5.799 775 HH12 ARG 90 2HH1 ARG 90 -10.447 -1.229 -5.991 776 HH21 ARG 90 1HH2 ARG 90 -10.279 1.402 -3.693 777 HH22 ARG 90 2HH2 ARG 90 -9.383 0.408 -4.792 778 H SER 91 HN SER 91 -10.650 -1.989 0.157 779 HA SER 91 HA SER 91 -11.336 0.656 1.174 780 HB2 SER 91 1HB SER 91 -9.436 -1.349 2.401 781 HB3 SER 91 2HB SER 91 -10.222 0.016 3.196 782 HG SER 91 HG SER 91 -11.133 -2.248 3.413 783 H HIS 92 HN HIS 92 -10.008 0.787 -1.233 784 HA HIS 92 HA HIS 92 -7.322 1.715 -0.450 785 HB2 HIS 92 1HB HIS 92 -8.269 0.165 -2.769 786 HB3 HIS 92 2HB HIS 92 -7.175 1.487 -3.167 787 HD1 HIS 92 1HD HIS 92 -7.248 -1.927 -1.843 788 HD2 HIS 92 2HD HIS 92 -4.589 1.266 -1.878 789 HE1 HIS 92 1HE HIS 92 -5.016 -2.903 -1.219 790 H SER 93 HN SER 93 -10.326 2.488 -1.998 791 HA SER 93 HA SER 93 -9.989 5.254 -1.764 792 HB2 SER 93 1HB SER 93 -9.930 5.710 -4.317 793 HB3 SER 93 2HB SER 93 -8.415 5.325 -3.500 794 HG SER 93 HG SER 93 -9.981 3.714 -5.197 795 H GLY 94 HN GLY 94 -12.075 4.138 -0.926 796 HA2 GLY 94 2HA GLY 94 -14.365 4.917 -1.342 797 HA3 GLY 94 3HA GLY 94 -14.133 4.456 -3.022 798 H SER 95 HN SER 95 -15.610 3.569 -0.245 799 HA SER 95 HA SER 95 -15.556 0.711 -0.968 800 HB2 SER 95 1HB SER 95 -16.376 0.471 1.510 801 HB3 SER 95 2HB SER 95 -14.660 0.707 1.178 802 HG SER 95 HG SER 95 -16.464 2.372 2.423 803 H ASP 96 HN ASP 96 -17.339 3.306 -1.434 804 HA ASP 96 HA ASP 96 -19.544 3.772 -1.764 805 HB2 ASP 96 1HB ASP 96 -19.069 1.060 -2.643 806 HB3 ASP 96 2HB ASP 96 -20.726 1.243 -2.073 807 H PHE 97 HN PHE 97 -18.592 3.083 0.991 808 HA PHE 97 HA PHE 97 -19.462 2.928 3.086 809 HB2 PHE 97 1HB PHE 97 -21.064 4.618 2.089 810 HB3 PHE 97 2HB PHE 97 -22.173 3.281 1.803 811 HD1 PHE 97 1HD PHE 97 -19.995 4.199 4.689 812 HD2 PHE 97 2HD PHE 97 -23.929 3.403 3.273 813 HE1 PHE 97 1HE PHE 97 -20.864 4.436 6.979 814 HE2 PHE 97 2HE PHE 97 -24.804 3.641 5.560 815 HZ PHE 97 HZ PHE 97 -23.271 4.159 7.416 816 H SER 98 HN SER 98 -19.393 0.582 1.147 817 HA SER 98 HA SER 98 -19.820 -1.651 1.221 818 HB2 SER 98 1HB SER 98 -21.065 -1.381 3.935 819 HB3 SER 98 2HB SER 98 -20.031 -2.662 3.305 820 HG SER 98 HG SER 98 -18.287 -1.176 3.387 821 H PHE 99 HN PHE 99 -21.633 -0.304 -0.189 822 HA PHE 99 HA PHE 99 -24.286 -1.145 0.721 823 HB2 PHE 99 1HB PHE 99 -23.791 1.216 -0.154 824 HB3 PHE 99 2HB PHE 99 -23.694 0.476 -1.749 825 HD1 PHE 99 2HD PHE 99 -25.997 0.131 1.171 826 HD2 PHE 99 1HD PHE 99 -25.567 0.872 -2.998 827 HE1 PHE 99 2HE PHE 99 -28.442 0.295 0.952 828 HE2 PHE 99 1HE PHE 99 -28.012 1.039 -3.224 829 HZ PHE 99 HZ PHE 99 -29.453 0.749 -1.248 830 H ARG 100 HN ARG 100 -22.974 -3.341 0.176 831 HA ARG 100 HA ARG 100 -22.676 -4.268 -2.399 832 HB2 ARG 100 1HB ARG 100 -23.053 -5.461 0.237 833 HB3 ARG 100 2HB ARG 100 -23.704 -6.460 -1.055 834 HG2 ARG 100 1HG ARG 100 -21.664 -7.214 -1.444 835 HG3 ARG 100 2HG ARG 100 -21.185 -5.587 -1.933 836 HD2 ARG 100 1HD ARG 100 -20.963 -5.213 0.651 837 HD3 ARG 100 2HD ARG 100 -20.829 -6.971 0.686 838 HE ARG 100 HE ARG 100 -19.033 -6.287 -1.197 839 HH11 ARG 100 1HH1 ARG 100 -19.594 -5.150 2.045 840 HH12 ARG 100 2HH1 ARG 100 -17.932 -4.752 2.333 841 HH21 ARG 100 1HH2 ARG 100 -16.842 -5.768 -0.830 842 HH22 ARG 100 2HH2 ARG 100 -16.368 -5.103 0.696 843 HA PRO 101 HA PRO 101 -26.630 -4.689 -4.249 844 HB2 PRO 101 1HB PRO 101 -26.416 -7.056 -5.560 845 HB3 PRO 101 2HB PRO 101 -25.574 -5.591 -6.079 846 HG2 PRO 101 1HG PRO 101 -24.538 -7.913 -4.500 847 HG3 PRO 101 2HG PRO 101 -23.766 -7.032 -5.831 848 HD2 PRO 101 1HD PRO 101 -23.142 -6.586 -3.234 849 HD3 PRO 101 2HD PRO 101 -23.088 -5.306 -4.462 850 H ILE 102 HN ILE 102 -28.296 -6.665 -4.751 851 HA ILE 102 HA ILE 102 -28.612 -8.302 -2.348 852 HB ILE 102 HB ILE 102 -30.989 -6.788 -3.371 853 HG12 ILE 102 1HG1 ILE 102 -28.810 -5.802 -1.570 854 HG13 ILE 102 2HG1 ILE 102 -29.695 -4.940 -2.824 855 HG21 ILE 102 1HG2 ILE 102 -32.019 -7.440 -1.411 856 HG22 ILE 102 2HG2 ILE 102 -30.994 -8.830 -1.763 857 HG23 ILE 102 3HG2 ILE 102 -30.492 -7.648 -0.554 858 HD11 ILE 102 3HD1 ILE 102 -30.504 -3.995 -0.888 859 HD12 ILE 102 1HD1 ILE 102 -31.719 -5.224 -1.241 860 HD13 ILE 102 2HD1 ILE 102 -30.491 -5.525 -0.011 861 H GLU 103 HN GLU 103 -27.919 -8.913 -5.095 862 HA GLU 103 HA GLU 103 -28.458 -10.336 -6.793 863 HB2 GLU 103 1HB GLU 103 -30.174 -11.576 -4.634 864 HB3 GLU 103 2HB GLU 103 -29.685 -12.361 -6.129 865 HG2 GLU 103 1HG GLU 103 -27.876 -11.468 -3.897 866 HG3 GLU 103 2HG GLU 103 -28.314 -13.126 -4.303 867 H GLU 104 HN GLU 104 -29.961 -7.956 -6.768 868 HA GLU 104 HA GLU 104 -32.737 -8.440 -7.110 869 HB2 GLU 104 1HB GLU 104 -31.610 -6.213 -6.613 870 HB3 GLU 104 2HB GLU 104 -31.182 -6.156 -8.317 871 HG2 GLU 104 1HG GLU 104 -33.979 -6.726 -8.009 872 HG3 GLU 104 2HG GLU 104 -33.541 -5.269 -7.119 873 H ALA 105 HN ALA 105 -32.822 -10.250 -8.516 874 HA ALA 105 HA ALA 105 -31.684 -10.265 -11.108 875 HB1 ALA 105 1HB ALA 105 -33.816 -11.973 -11.286 876 HB2 ALA 105 2HB ALA 105 -32.209 -12.399 -10.694 877 HB3 ALA 105 3HB ALA 105 -33.482 -11.962 -9.554 Start of MODEL 3 1 H1 GLY -5 HN GLY -5 4.559 5.022 -6.606 2 HA2 GLY -5 2HA GLY -5 5.997 5.928 -4.850 3 HA3 GLY -5 3HA GLY -5 4.544 6.909 -4.960 4 H SER -4 HN SER -4 2.765 4.996 -3.792 5 HA SER -4 HA SER -4 3.640 4.059 -1.294 6 HB2 SER -4 1HB SER -4 3.732 6.699 -1.135 7 HB3 SER -4 2HB SER -4 1.998 6.522 -0.870 8 HG SER -4 HG SER -4 4.086 5.328 0.637 9 H HIS -3 HN HIS -3 0.805 5.820 -2.559 10 HA HIS -3 HA HIS -3 -0.775 3.379 -2.365 11 HB2 HIS -3 1HB HIS -3 -2.626 4.755 -1.236 12 HB3 HIS -3 2HB HIS -3 -1.279 4.230 -0.230 13 HD1 HIS -3 1HD HIS -3 0.386 6.065 0.570 14 HD2 HIS -3 2HD HIS -3 -2.872 7.507 -1.567 15 HE1 HIS -3 1HE HIS -3 0.367 8.548 0.968 16 H MET -2 HN MET -2 -1.068 3.331 -4.558 17 HA MET -2 HA MET -2 -2.719 5.496 -5.665 18 HB2 MET -2 1HB MET -2 -0.363 4.146 -6.984 19 HB3 MET -2 2HB MET -2 -1.538 5.118 -7.861 20 HG2 MET -2 1HG MET -2 -0.897 6.884 -5.988 21 HG3 MET -2 2HG MET -2 0.595 5.946 -5.984 22 HE1 MET -2 3HE MET -2 2.632 7.075 -8.449 23 HE2 MET -2 1HE MET -2 2.116 5.688 -7.490 24 HE3 MET -2 2HE MET -2 1.812 5.720 -9.226 25 H ALA -1 HN ALA -1 -1.448 2.505 -7.087 26 HA ALA -1 HA ALA -1 -2.473 0.645 -7.913 27 HB1 ALA -1 1HB ALA -1 -3.528 0.793 -5.540 28 HB2 ALA -1 2HB ALA -1 -4.981 1.275 -6.417 29 HB3 ALA -1 3HB ALA -1 -4.231 -0.287 -6.745 30 H SER 1 HN SER 1 -3.053 3.570 -8.841 31 HA SER 1 HA SER 1 -5.565 3.654 -10.060 32 HB2 SER 1 1HB SER 1 -2.977 5.063 -10.442 33 HB3 SER 1 2HB SER 1 -4.133 5.152 -11.770 34 HG SER 1 HG SER 1 -5.091 5.614 -9.194 35 H ALA 2 HN ALA 2 -2.434 2.810 -11.550 36 HA ALA 2 HA ALA 2 -3.491 1.986 -14.015 37 HB1 ALA 2 1HB ALA 2 -0.907 1.543 -12.595 38 HB2 ALA 2 2HB ALA 2 -1.261 0.617 -14.054 39 HB3 ALA 2 3HB ALA 2 -1.230 2.380 -14.114 40 H ASP 3 HN ASP 3 -3.410 0.433 -10.948 41 HA ASP 3 HA ASP 3 -3.669 -2.252 -11.939 42 HB2 ASP 3 1HB ASP 3 -3.304 -0.978 -9.387 43 HB3 ASP 3 2HB ASP 3 -4.641 -2.122 -9.290 44 H LEU 4 HN LEU 4 -5.865 0.210 -10.661 45 HA LEU 4 HA LEU 4 -8.186 -1.429 -10.745 46 HB2 LEU 4 1HB LEU 4 -7.940 0.602 -9.344 47 HB3 LEU 4 2HB LEU 4 -8.002 1.579 -10.809 48 HG LEU 4 HG LEU 4 -10.299 -0.180 -10.584 49 HD11 LEU 4 1HD1 LEU 4 -11.360 0.898 -8.699 50 HD12 LEU 4 2HD1 LEU 4 -9.916 1.865 -8.403 51 HD13 LEU 4 3HD1 LEU 4 -9.867 0.117 -8.179 52 HD21 LEU 4 3HD2 LEU 4 -10.195 2.826 -10.598 53 HD22 LEU 4 1HD2 LEU 4 -11.481 1.771 -11.184 54 HD23 LEU 4 2HD2 LEU 4 -9.947 1.856 -12.051 55 H VAL 5 HN VAL 5 -6.746 0.899 -12.976 56 HA VAL 5 HA VAL 5 -8.871 0.842 -14.864 57 HB VAL 5 HB VAL 5 -5.976 1.624 -15.229 58 HG11 VAL 5 1HG1 VAL 5 -6.917 1.088 -17.373 59 HG12 VAL 5 2HG1 VAL 5 -8.366 2.032 -17.022 60 HG13 VAL 5 3HG1 VAL 5 -6.813 2.842 -17.228 61 HG21 VAL 5 3HG2 VAL 5 -6.671 3.265 -13.834 62 HG22 VAL 5 1HG2 VAL 5 -7.355 3.928 -15.318 63 HG23 VAL 5 2HG2 VAL 5 -8.375 3.012 -14.209 64 H SER 6 HN SER 6 -5.653 -0.689 -14.841 65 HA SER 6 HA SER 6 -5.946 -2.117 -17.230 66 HB2 SER 6 1HB SER 6 -3.794 -1.760 -15.993 67 HB3 SER 6 2HB SER 6 -4.321 -2.971 -14.825 68 HG SER 6 HG SER 6 -3.991 -4.519 -16.253 69 H SER 7 HN SER 7 -6.720 -3.003 -13.894 70 HA SER 7 HA SER 7 -7.484 -5.673 -14.472 71 HB2 SER 7 1HB SER 7 -8.107 -3.842 -12.150 72 HB3 SER 7 2HB SER 7 -8.636 -5.523 -12.218 73 HG SER 7 HG SER 7 -5.936 -4.674 -12.432 74 H CYS 8 HN CYS 8 -9.284 -2.641 -14.189 75 HA CYS 8 HA CYS 8 -11.865 -3.725 -14.432 76 HB2 CYS 8 1HB CYS 8 -10.654 -1.027 -14.799 77 HB3 CYS 8 2HB CYS 8 -12.264 -1.297 -15.454 78 HG CYS 8 HG CYS 8 -11.886 -2.325 -12.288 79 H LYS 9 HN LYS 9 -9.597 -2.510 -16.867 80 HA LYS 9 HA LYS 9 -11.306 -2.802 -19.089 81 HB2 LYS 9 1HB LYS 9 -9.354 -1.432 -19.297 82 HB3 LYS 9 2HB LYS 9 -8.297 -2.765 -18.852 83 HG2 LYS 9 1HG LYS 9 -8.097 -3.373 -20.969 84 HG3 LYS 9 2HG LYS 9 -9.850 -3.497 -21.142 85 HD2 LYS 9 1HD LYS 9 -8.998 -0.737 -21.087 86 HD3 LYS 9 2HD LYS 9 -8.164 -1.636 -22.357 87 HE2 LYS 9 1HE LYS 9 -11.150 -1.663 -21.953 88 HE3 LYS 9 2HE LYS 9 -10.319 -0.575 -23.062 89 HZ1 LYS 9 3HZ LYS 9 -10.428 -2.176 -24.569 90 HZ2 LYS 9 1HZ LYS 9 -11.067 -3.273 -23.451 91 HZ3 LYS 9 2HZ LYS 9 -9.391 -3.120 -23.622 92 H ASP 10 HN ASP 10 -8.656 -4.904 -17.955 93 HA ASP 10 HA ASP 10 -8.927 -6.960 -19.769 94 HB2 ASP 10 1HB ASP 10 -7.071 -7.017 -18.294 95 HB3 ASP 10 2HB ASP 10 -8.105 -6.986 -16.869 96 H LYS 11 HN LYS 11 -10.534 -6.681 -16.603 97 HA LYS 11 HA LYS 11 -12.072 -9.030 -16.856 98 HB2 LYS 11 1HB LYS 11 -11.927 -6.745 -15.032 99 HB3 LYS 11 2HB LYS 11 -13.553 -7.393 -15.204 100 HG2 LYS 11 1HG LYS 11 -13.052 -9.029 -13.806 101 HG3 LYS 11 2HG LYS 11 -11.775 -9.579 -14.894 102 HD2 LYS 11 1HD LYS 11 -11.183 -7.229 -13.186 103 HD3 LYS 11 2HD LYS 11 -11.296 -8.799 -12.387 104 HE2 LYS 11 1HE LYS 11 -9.729 -9.588 -14.305 105 HE3 LYS 11 2HE LYS 11 -9.376 -7.871 -14.485 106 HZ1 LYS 11 3HZ LYS 11 -9.096 -9.374 -11.941 107 HZ2 LYS 11 1HZ LYS 11 -8.622 -7.776 -12.233 108 HZ3 LYS 11 2HZ LYS 11 -7.819 -9.051 -13.002 109 H LEU 12 HN LEU 12 -12.968 -5.614 -17.339 110 HA LEU 12 HA LEU 12 -15.593 -5.946 -18.107 111 HB2 LEU 12 1HB LEU 12 -14.616 -3.768 -17.735 112 HB3 LEU 12 2HB LEU 12 -13.564 -3.968 -19.134 113 HG LEU 12 HG LEU 12 -16.176 -4.253 -20.107 114 HD11 LEU 12 1HD1 LEU 12 -16.426 -2.935 -17.725 115 HD12 LEU 12 2HD1 LEU 12 -17.537 -2.805 -19.088 116 HD13 LEU 12 3HD1 LEU 12 -16.260 -1.608 -18.875 117 HD21 LEU 12 3HD2 LEU 12 -15.453 -2.728 -21.599 118 HD22 LEU 12 1HD2 LEU 12 -13.893 -3.001 -20.821 119 HD23 LEU 12 2HD2 LEU 12 -14.883 -1.619 -20.350 120 H ALA 13 HN ALA 13 -12.683 -6.139 -20.120 121 HA ALA 13 HA ALA 13 -14.058 -6.568 -22.565 122 HB1 ALA 13 1HB ALA 13 -11.222 -7.189 -21.757 123 HB2 ALA 13 2HB ALA 13 -11.844 -7.321 -23.402 124 HB3 ALA 13 3HB ALA 13 -11.801 -5.751 -22.599 125 H TYR 14 HN TYR 14 -12.852 -8.700 -20.048 126 HA TYR 14 HA TYR 14 -13.332 -11.099 -21.567 127 HB2 TYR 14 1HB TYR 14 -11.547 -11.002 -19.874 128 HB3 TYR 14 2HB TYR 14 -12.753 -10.739 -18.619 129 HD1 TYR 14 1HD TYR 14 -12.713 -13.129 -21.484 130 HD2 TYR 14 2HD TYR 14 -12.719 -12.619 -17.260 131 HE1 TYR 14 1HE TYR 14 -12.935 -15.562 -21.197 132 HE2 TYR 14 2HE TYR 14 -12.940 -15.050 -16.961 133 HH TYR 14 HH TYR 14 -13.887 -17.113 -19.312 134 H PHE 15 HN PHE 15 -15.246 -8.968 -19.790 135 HA PHE 15 HA PHE 15 -17.231 -11.009 -19.112 136 HB2 PHE 15 1HB PHE 15 -16.969 -8.094 -18.373 137 HB3 PHE 15 2HB PHE 15 -18.399 -9.049 -17.996 138 HD1 PHE 15 1HD PHE 15 -17.170 -11.625 -17.247 139 HD2 PHE 15 2HD PHE 15 -16.036 -7.633 -16.299 140 HE1 PHE 15 1HE PHE 15 -16.092 -12.424 -15.184 141 HE2 PHE 15 2HE PHE 15 -14.955 -8.426 -14.236 142 HZ PHE 15 HZ PHE 15 -14.981 -10.825 -13.677 143 H ARG 16 HN ARG 16 -16.467 -9.427 -21.785 144 HA ARG 16 HA ARG 16 -17.563 -8.905 -23.709 145 HB2 ARG 16 1HB ARG 16 -20.043 -10.047 -22.423 146 HB3 ARG 16 2HB ARG 16 -19.700 -9.891 -24.141 147 HG2 ARG 16 1HG ARG 16 -17.713 -11.470 -22.713 148 HG3 ARG 16 2HG ARG 16 -19.341 -12.145 -22.631 149 HD2 ARG 16 1HD ARG 16 -18.173 -13.035 -24.555 150 HD3 ARG 16 2HD ARG 16 -19.500 -12.002 -25.081 151 HE ARG 16 HE ARG 16 -17.973 -10.541 -25.987 152 HH11 ARG 16 1HH1 ARG 16 -16.332 -12.851 -23.964 153 HH12 ARG 16 2HH1 ARG 16 -14.749 -12.379 -24.486 154 HH21 ARG 16 1HH2 ARG 16 -15.894 -9.911 -26.682 155 HH22 ARG 16 2HH2 ARG 16 -14.501 -10.707 -26.032 156 H ILE 17 HN ILE 17 -20.074 -7.962 -24.268 157 HA ILE 17 HA ILE 17 -19.911 -5.281 -23.409 158 HB ILE 17 HB ILE 17 -22.380 -6.558 -24.569 159 HG12 ILE 17 1HG1 ILE 17 -19.788 -5.799 -25.894 160 HG13 ILE 17 2HG1 ILE 17 -20.714 -7.287 -26.061 161 HG21 ILE 17 1HG2 ILE 17 -22.452 -4.200 -23.722 162 HG22 ILE 17 2HG2 ILE 17 -21.267 -3.789 -24.960 163 HG23 ILE 17 3HG2 ILE 17 -22.857 -4.390 -25.427 164 HD11 ILE 17 3HD1 ILE 17 -21.010 -4.702 -27.437 165 HD12 ILE 17 1HD1 ILE 17 -21.290 -6.343 -28.019 166 HD13 ILE 17 2HD1 ILE 17 -22.502 -5.542 -27.018 167 H LYS 18 HN LYS 18 -21.515 -8.052 -22.107 168 HA LYS 18 HA LYS 18 -23.629 -7.049 -20.698 169 HB2 LYS 18 1HB LYS 18 -22.144 -9.409 -20.669 170 HB3 LYS 18 2HB LYS 18 -22.054 -8.818 -19.015 171 HG2 LYS 18 1HG LYS 18 -23.924 -10.331 -19.285 172 HG3 LYS 18 2HG LYS 18 -24.495 -8.700 -18.924 173 HD2 LYS 18 1HD LYS 18 -24.286 -8.924 -21.738 174 HD3 LYS 18 2HD LYS 18 -25.122 -10.365 -21.154 175 HE2 LYS 18 1HE LYS 18 -26.929 -9.192 -20.449 176 HE3 LYS 18 2HE LYS 18 -25.970 -7.788 -19.983 177 HZ1 LYS 18 3HZ LYS 18 -27.401 -8.260 -22.389 178 HZ2 LYS 18 1HZ LYS 18 -25.773 -7.939 -22.722 179 HZ3 LYS 18 2HZ LYS 18 -26.689 -6.831 -21.832 180 H GLU 19 HN GLU 19 -20.233 -7.078 -19.633 181 HA GLU 19 HA GLU 19 -20.589 -5.868 -17.153 182 HB2 GLU 19 1HB GLU 19 -18.438 -6.773 -18.596 183 HB3 GLU 19 2HB GLU 19 -18.154 -5.039 -18.566 184 HG2 GLU 19 1HG GLU 19 -18.414 -6.911 -16.235 185 HG3 GLU 19 2HG GLU 19 -17.017 -5.947 -16.711 186 H LEU 20 HN LEU 20 -19.737 -4.321 -20.249 187 HA LEU 20 HA LEU 20 -19.745 -1.684 -19.342 188 HB2 LEU 20 1HB LEU 20 -20.522 -2.680 -22.079 189 HB3 LEU 20 2HB LEU 20 -20.013 -1.043 -21.671 190 HG LEU 20 HG LEU 20 -18.070 -3.136 -20.985 191 HD11 LEU 20 1HD1 LEU 20 -17.472 -2.848 -23.622 192 HD12 LEU 20 2HD1 LEU 20 -19.230 -2.976 -23.669 193 HD13 LEU 20 3HD1 LEU 20 -18.273 -4.252 -22.916 194 HD21 LEU 20 3HD2 LEU 20 -17.025 -1.157 -20.813 195 HD22 LEU 20 1HD2 LEU 20 -18.165 -0.348 -21.888 196 HD23 LEU 20 2HD2 LEU 20 -16.838 -1.294 -22.562 197 H LYS 21 HN LYS 21 -22.377 -3.702 -20.549 198 HA LYS 21 HA LYS 21 -24.368 -1.765 -20.763 199 HB2 LYS 21 1HB LYS 21 -24.235 -4.487 -21.106 200 HB3 LYS 21 2HB LYS 21 -25.291 -4.343 -19.707 201 HG2 LYS 21 1HG LYS 21 -25.974 -2.487 -21.842 202 HG3 LYS 21 2HG LYS 21 -26.061 -4.181 -22.333 203 HD2 LYS 21 1HD LYS 21 -28.147 -4.005 -21.464 204 HD3 LYS 21 2HD LYS 21 -27.293 -4.350 -19.958 205 HE2 LYS 21 1HE LYS 21 -27.808 -2.351 -19.124 206 HE3 LYS 21 2HE LYS 21 -27.227 -1.530 -20.572 207 HZ1 LYS 21 3HZ LYS 21 -29.936 -2.383 -19.881 208 HZ2 LYS 21 1HZ LYS 21 -29.494 -2.435 -21.513 209 HZ3 LYS 21 2HZ LYS 21 -29.413 -0.976 -20.661 210 H ASP 22 HN ASP 22 -23.426 -3.740 -17.968 211 HA ASP 22 HA ASP 22 -25.391 -2.769 -16.202 212 HB2 ASP 22 1HB ASP 22 -23.221 -4.582 -16.087 213 HB3 ASP 22 2HB ASP 22 -22.982 -3.422 -14.783 214 H ILE 23 HN ILE 23 -22.093 -1.688 -16.890 215 HA ILE 23 HA ILE 23 -21.929 0.277 -14.887 216 HB ILE 23 HB ILE 23 -20.564 0.207 -17.580 217 HG12 ILE 23 1HG1 ILE 23 -20.036 -1.762 -16.275 218 HG13 ILE 23 2HG1 ILE 23 -18.645 -0.683 -16.264 219 HG21 ILE 23 1HG2 ILE 23 -20.196 2.374 -16.954 220 HG22 ILE 23 2HG2 ILE 23 -20.317 2.014 -15.232 221 HG23 ILE 23 3HG2 ILE 23 -18.856 1.586 -16.123 222 HD11 ILE 23 3HD1 ILE 23 -20.657 -1.001 -14.049 223 HD12 ILE 23 1HD1 ILE 23 -19.018 -1.651 -14.075 224 HD13 ILE 23 2HD1 ILE 23 -19.275 0.094 -14.036 225 H LEU 24 HN LEU 24 -22.618 0.680 -18.367 226 HA LEU 24 HA LEU 24 -23.248 3.398 -18.260 227 HB2 LEU 24 1HB LEU 24 -23.907 3.199 -20.442 228 HB3 LEU 24 2HB LEU 24 -22.886 1.773 -20.269 229 HG LEU 24 HG LEU 24 -25.190 0.612 -19.715 230 HD11 LEU 24 1HD1 LEU 24 -26.870 2.093 -19.844 231 HD12 LEU 24 2HD1 LEU 24 -26.720 1.839 -21.583 232 HD13 LEU 24 3HD1 LEU 24 -25.937 3.225 -20.824 233 HD21 LEU 24 3HD2 LEU 24 -23.624 0.115 -21.583 234 HD22 LEU 24 1HD2 LEU 24 -24.446 1.346 -22.542 235 HD23 LEU 24 2HD2 LEU 24 -25.326 -0.085 -22.005 236 H ASN 25 HN ASN 25 -25.187 0.561 -17.595 237 HA ASN 25 HA ASN 25 -27.724 1.789 -17.631 238 HB2 ASN 25 1HB ASN 25 -28.064 -0.451 -17.567 239 HB3 ASN 25 2HB ASN 25 -26.584 -0.751 -16.660 240 HD21 ASN 25 1HD2 ASN 25 -26.622 -0.584 -14.399 241 HD22 ASN 25 2HD2 ASN 25 -28.103 -0.683 -13.514 242 H GLN 26 HN GLN 26 -25.379 1.274 -15.025 243 HA GLN 26 HA GLN 26 -26.996 2.376 -12.973 244 HB2 GLN 26 1HB GLN 26 -24.055 1.809 -13.227 245 HB3 GLN 26 2HB GLN 26 -24.703 2.622 -11.808 246 HG2 GLN 26 1HG GLN 26 -25.896 0.757 -11.125 247 HG3 GLN 26 2HG GLN 26 -25.854 0.022 -12.726 248 HE21 GLN 26 1HE2 GLN 26 -23.579 -0.467 -13.512 249 HE22 GLN 26 2HE2 GLN 26 -22.513 -1.190 -12.360 250 H LEU 27 HN LEU 27 -24.581 3.725 -15.155 251 HA LEU 27 HA LEU 27 -24.415 6.270 -13.923 252 HB2 LEU 27 1HB LEU 27 -23.745 5.244 -16.661 253 HB3 LEU 27 2HB LEU 27 -23.574 6.949 -16.250 254 HG LEU 27 HG LEU 27 -22.245 5.244 -14.319 255 HD11 LEU 27 1HD1 LEU 27 -20.799 4.040 -15.574 256 HD12 LEU 27 2HD1 LEU 27 -20.826 5.189 -16.912 257 HD13 LEU 27 3HD1 LEU 27 -22.153 4.046 -16.705 258 HD21 LEU 27 3HD2 LEU 27 -21.263 7.401 -16.186 259 HD22 LEU 27 1HD2 LEU 27 -20.388 6.751 -14.799 260 HD23 LEU 27 2HD2 LEU 27 -21.886 7.650 -14.554 261 H GLY 28 HN GLY 28 -26.552 4.886 -16.333 262 HA2 GLY 28 2HA GLY 28 -28.713 5.643 -16.826 263 HA3 GLY 28 3HA GLY 28 -28.345 7.155 -16.009 264 H LEU 29 HN LEU 29 -26.502 5.602 -18.595 265 HA LEU 29 HA LEU 29 -27.257 7.814 -20.382 266 HB2 LEU 29 1HB LEU 29 -24.535 6.807 -19.665 267 HB3 LEU 29 2HB LEU 29 -24.822 7.520 -21.251 268 HG LEU 29 HG LEU 29 -25.796 9.502 -19.806 269 HD11 LEU 29 1HD1 LEU 29 -25.151 7.913 -17.748 270 HD12 LEU 29 2HD1 LEU 29 -25.138 9.674 -17.652 271 HD13 LEU 29 3HD1 LEU 29 -23.634 8.795 -17.924 272 HD21 LEU 29 3HD2 LEU 29 -24.007 9.843 -21.322 273 HD22 LEU 29 1HD2 LEU 29 -22.896 8.896 -20.333 274 HD23 LEU 29 2HD2 LEU 29 -23.466 10.464 -19.761 275 HA PRO 30 HA PRO 30 -27.712 3.553 -22.320 276 HB2 PRO 30 1HB PRO 30 -30.363 3.765 -22.866 277 HB3 PRO 30 2HB PRO 30 -29.745 3.125 -21.338 278 HG2 PRO 30 1HG PRO 30 -30.773 5.865 -21.967 279 HG3 PRO 30 2HG PRO 30 -31.081 4.855 -20.543 280 HD2 PRO 30 1HD PRO 30 -29.289 6.885 -20.528 281 HD3 PRO 30 2HD PRO 30 -29.075 5.416 -19.555 282 H LYS 31 HN LYS 31 -26.360 4.886 -23.845 283 HA LYS 31 HA LYS 31 -27.552 4.978 -26.381 284 HB2 LYS 31 1HB LYS 31 -28.385 7.145 -25.081 285 HB3 LYS 31 2HB LYS 31 -26.823 7.761 -25.602 286 HG2 LYS 31 1HG LYS 31 -28.502 6.444 -27.651 287 HG3 LYS 31 2HG LYS 31 -29.032 8.019 -27.057 288 HD2 LYS 31 1HD LYS 31 -27.628 8.881 -28.571 289 HD3 LYS 31 2HD LYS 31 -26.338 8.392 -27.470 290 HE2 LYS 31 1HE LYS 31 -26.340 6.164 -28.655 291 HE3 LYS 31 2HE LYS 31 -27.403 6.895 -29.856 292 HZ1 LYS 31 3HZ LYS 31 -25.071 8.474 -29.320 293 HZ2 LYS 31 1HZ LYS 31 -25.703 7.951 -30.799 294 HZ3 LYS 31 2HZ LYS 31 -24.688 6.935 -29.906 295 H GLN 32 HN GLN 32 -25.370 3.704 -25.726 296 HA GLN 32 HA GLN 32 -23.065 5.378 -26.416 297 HB2 GLN 32 1HB GLN 32 -23.433 2.840 -24.934 298 HB3 GLN 32 2HB GLN 32 -21.967 2.971 -25.898 299 HG2 GLN 32 1HG GLN 32 -21.417 3.699 -23.725 300 HG3 GLN 32 2HG GLN 32 -21.514 5.144 -24.730 301 HE21 GLN 32 1HE2 GLN 32 -23.657 6.259 -24.697 302 HE22 GLN 32 2HE2 GLN 32 -24.473 6.362 -23.178 303 H GLY 33 HN GLY 33 -21.346 3.708 -27.592 304 HA2 GLY 33 2HA GLY 33 -22.687 3.121 -30.139 305 HA3 GLY 33 3HA GLY 33 -20.967 3.417 -29.929 306 H LYS 34 HN LYS 34 -19.821 1.664 -30.354 307 HA LYS 34 HA LYS 34 -20.991 -0.972 -29.848 308 HB2 LYS 34 1HB LYS 34 -18.474 -0.257 -31.363 309 HB3 LYS 34 2HB LYS 34 -19.232 -1.842 -31.291 310 HG2 LYS 34 1HG LYS 34 -20.090 -1.183 -33.267 311 HG3 LYS 34 2HG LYS 34 -21.297 -0.425 -32.225 312 HD2 LYS 34 1HD LYS 34 -19.299 1.464 -32.338 313 HD3 LYS 34 2HD LYS 34 -19.298 0.788 -33.969 314 HE2 LYS 34 1HE LYS 34 -21.852 1.607 -32.629 315 HE3 LYS 34 2HE LYS 34 -20.842 2.788 -33.460 316 HZ1 LYS 34 3HZ LYS 34 -22.572 1.896 -34.903 317 HZ2 LYS 34 1HZ LYS 34 -21.969 0.330 -34.688 318 HZ3 LYS 34 2HZ LYS 34 -21.034 1.495 -35.481 319 H LYS 35 HN LYS 35 -18.882 -2.581 -29.495 320 HA LYS 35 HA LYS 35 -18.304 -2.493 -26.818 321 HB2 LYS 35 1HB LYS 35 -17.904 -4.482 -28.136 322 HB3 LYS 35 2HB LYS 35 -16.645 -3.667 -29.055 323 HG2 LYS 35 1HG LYS 35 -15.419 -4.927 -27.575 324 HG3 LYS 35 2HG LYS 35 -15.507 -3.374 -26.740 325 HD2 LYS 35 1HD LYS 35 -15.988 -5.016 -25.111 326 HD3 LYS 35 2HD LYS 35 -17.540 -4.290 -25.537 327 HE2 LYS 35 1HE LYS 35 -18.005 -6.567 -25.529 328 HE3 LYS 35 2HE LYS 35 -17.723 -6.222 -27.235 329 HZ1 LYS 35 3HZ LYS 35 -16.585 -8.247 -26.088 330 HZ2 LYS 35 1HZ LYS 35 -15.464 -7.088 -25.574 331 HZ3 LYS 35 2HZ LYS 35 -15.737 -7.326 -27.227 332 H GLN 36 HN GLN 36 -16.668 -0.845 -29.432 333 HA GLN 36 HA GLN 36 -14.364 -0.085 -27.943 334 HB2 GLN 36 1HB GLN 36 -15.446 0.384 -30.606 335 HB3 GLN 36 2HB GLN 36 -14.672 1.816 -29.941 336 HG2 GLN 36 1HG GLN 36 -13.400 -0.902 -30.172 337 HG3 GLN 36 2HG GLN 36 -13.137 0.451 -31.272 338 HE21 GLN 36 1HE2 GLN 36 -12.586 -0.786 -28.062 339 HE22 GLN 36 2HE2 GLN 36 -11.322 0.313 -27.640 340 H ASP 37 HN ASP 37 -17.293 1.692 -28.919 341 HA ASP 37 HA ASP 37 -16.711 4.097 -27.638 342 HB2 ASP 37 1HB ASP 37 -18.984 2.893 -28.925 343 HB3 ASP 37 2HB ASP 37 -19.504 3.725 -27.463 344 H LEU 38 HN LEU 38 -18.558 1.305 -26.435 345 HA LEU 38 HA LEU 38 -19.178 2.348 -23.915 346 HB2 LEU 38 1HB LEU 38 -18.690 -0.534 -24.650 347 HB3 LEU 38 2HB LEU 38 -19.565 0.044 -23.234 348 HG LEU 38 HG LEU 38 -20.556 0.820 -25.934 349 HD11 LEU 38 1HD1 LEU 38 -21.675 -1.676 -24.894 350 HD12 LEU 38 2HD1 LEU 38 -20.019 -1.810 -25.485 351 HD13 LEU 38 3HD1 LEU 38 -21.288 -1.204 -26.549 352 HD21 LEU 38 3HD2 LEU 38 -22.624 0.977 -24.859 353 HD22 LEU 38 1HD2 LEU 38 -21.474 1.587 -23.668 354 HD23 LEU 38 2HD2 LEU 38 -22.111 -0.051 -23.520 355 H ILE 39 HN ILE 39 -16.534 0.133 -24.821 356 HA ILE 39 HA ILE 39 -15.275 -0.073 -22.380 357 HB ILE 39 HB ILE 39 -14.369 -0.303 -25.190 358 HG12 ILE 39 1HG1 ILE 39 -13.689 -2.113 -22.893 359 HG13 ILE 39 2HG1 ILE 39 -15.317 -2.109 -23.563 360 HG21 ILE 39 1HG2 ILE 39 -12.493 0.154 -22.888 361 HG22 ILE 39 2HG2 ILE 39 -12.011 -0.722 -24.340 362 HG23 ILE 39 3HG2 ILE 39 -12.526 0.961 -24.456 363 HD11 ILE 39 3HD1 ILE 39 -14.385 -3.780 -24.786 364 HD12 ILE 39 1HD1 ILE 39 -14.010 -2.409 -25.828 365 HD13 ILE 39 2HD1 ILE 39 -12.775 -3.062 -24.751 366 H ASP 40 HN ASP 40 -14.625 2.338 -24.921 367 HA ASP 40 HA ASP 40 -12.651 3.771 -23.565 368 HB2 ASP 40 1HB ASP 40 -13.677 3.942 -26.031 369 HB3 ASP 40 2HB ASP 40 -14.544 5.284 -25.290 370 H ARG 41 HN ARG 41 -16.139 3.885 -23.323 371 HA ARG 41 HA ARG 41 -16.345 6.327 -21.913 372 HB2 ARG 41 1HB ARG 41 -18.105 4.273 -22.813 373 HB3 ARG 41 2HB ARG 41 -18.431 4.561 -21.109 374 HG2 ARG 41 1HG ARG 41 -18.459 6.612 -23.313 375 HG3 ARG 41 2HG ARG 41 -19.858 5.947 -22.467 376 HD2 ARG 41 1HD ARG 41 -19.677 7.589 -20.983 377 HD3 ARG 41 2HD ARG 41 -18.133 6.906 -20.476 378 HE ARG 41 HE ARG 41 -17.778 8.511 -22.772 379 HH11 ARG 41 1HH1 ARG 41 -18.418 8.739 -19.358 380 HH12 ARG 41 2HH1 ARG 41 -17.691 10.303 -19.194 381 HH21 ARG 41 1HH2 ARG 41 -16.818 10.570 -22.569 382 HH22 ARG 41 2HH2 ARG 41 -16.782 11.344 -21.021 383 H VAL 42 HN VAL 42 -16.359 2.952 -20.767 384 HA VAL 42 HA VAL 42 -16.550 3.431 -18.047 385 HB VAL 42 HB VAL 42 -15.170 1.224 -19.559 386 HG11 VAL 42 1HG1 VAL 42 -15.148 0.009 -17.356 387 HG12 VAL 42 2HG1 VAL 42 -13.978 1.322 -17.506 388 HG13 VAL 42 3HG1 VAL 42 -15.461 1.562 -16.582 389 HG21 VAL 42 3HG2 VAL 42 -17.206 0.106 -18.168 390 HG22 VAL 42 1HG2 VAL 42 -17.853 1.720 -18.464 391 HG23 VAL 42 2HG2 VAL 42 -17.348 0.710 -19.819 392 H LEU 43 HN LEU 43 -13.566 2.991 -19.949 393 HA LEU 43 HA LEU 43 -11.773 3.487 -17.857 394 HB2 LEU 43 1HB LEU 43 -11.271 4.172 -20.740 395 HB3 LEU 43 2HB LEU 43 -10.093 3.708 -19.514 396 HG LEU 43 HG LEU 43 -12.011 1.981 -21.039 397 HD11 LEU 43 1HD1 LEU 43 -9.267 1.129 -20.443 398 HD12 LEU 43 2HD1 LEU 43 -9.398 2.581 -21.435 399 HD13 LEU 43 3HD1 LEU 43 -10.171 1.083 -21.957 400 HD21 LEU 43 3HD2 LEU 43 -12.445 1.232 -18.859 401 HD22 LEU 43 1HD2 LEU 43 -10.765 1.433 -18.362 402 HD23 LEU 43 2HD2 LEU 43 -11.206 0.136 -19.473 403 H ALA 44 HN ALA 44 -13.426 5.662 -20.068 404 HA ALA 44 HA ALA 44 -11.967 8.000 -19.488 405 HB1 ALA 44 1HB ALA 44 -14.822 7.682 -20.405 406 HB2 ALA 44 2HB ALA 44 -13.923 9.200 -20.397 407 HB3 ALA 44 3HB ALA 44 -13.398 7.870 -21.429 408 H LEU 45 HN LEU 45 -14.565 6.376 -17.821 409 HA LEU 45 HA LEU 45 -15.227 8.580 -16.113 410 HB2 LEU 45 1HB LEU 45 -15.807 5.647 -15.737 411 HB3 LEU 45 2HB LEU 45 -16.590 6.987 -14.901 412 HG LEU 45 HG LEU 45 -16.780 6.918 -17.864 413 HD11 LEU 45 1HD1 LEU 45 -18.097 5.112 -18.051 414 HD12 LEU 45 2HD1 LEU 45 -18.864 5.381 -16.486 415 HD13 LEU 45 3HD1 LEU 45 -17.291 4.588 -16.572 416 HD21 LEU 45 3HD2 LEU 45 -18.163 8.576 -17.344 417 HD22 LEU 45 1HD2 LEU 45 -18.056 8.201 -15.624 418 HD23 LEU 45 2HD2 LEU 45 -19.245 7.377 -16.633 419 H LEU 46 HN LEU 46 -13.442 5.534 -15.657 420 HA LEU 46 HA LEU 46 -12.637 6.201 -12.993 421 HB2 LEU 46 1HB LEU 46 -11.201 4.182 -14.653 422 HB3 LEU 46 2HB LEU 46 -11.587 4.149 -12.934 423 HG LEU 46 HG LEU 46 -13.437 3.583 -15.243 424 HD11 LEU 46 1HD1 LEU 46 -11.712 1.929 -13.917 425 HD12 LEU 46 2HD1 LEU 46 -13.170 1.417 -14.765 426 HD13 LEU 46 3HD1 LEU 46 -13.216 1.697 -13.025 427 HD21 LEU 46 3HD2 LEU 46 -15.116 4.307 -13.980 428 HD22 LEU 46 1HD2 LEU 46 -14.039 4.608 -12.616 429 HD23 LEU 46 2HD2 LEU 46 -14.741 3.007 -12.848 430 H THR 47 HN THR 47 -11.620 7.224 -16.014 431 HA THR 47 HA THR 47 -8.906 7.832 -15.050 432 HB THR 47 HB THR 47 -9.974 7.831 -17.880 433 HG1 THR 47 1HG THR 47 -7.964 6.144 -16.809 434 HG21 THR 47 3HG2 THR 47 -8.294 9.482 -17.827 435 HG22 THR 47 1HG2 THR 47 -7.483 8.029 -18.409 436 HG23 THR 47 2HG2 THR 47 -7.285 8.538 -16.732 437 H ASP 48 HN ASP 48 -11.132 9.377 -17.366 438 HA ASP 48 HA ASP 48 -10.211 11.989 -16.755 439 HB2 ASP 48 1HB ASP 48 -12.058 10.765 -18.610 440 HB3 ASP 48 2HB ASP 48 -12.751 12.232 -17.924 441 H GLU 49 HN GLU 49 -12.311 9.914 -15.135 442 HA GLU 49 HA GLU 49 -13.352 12.160 -13.546 443 HB2 GLU 49 1HB GLU 49 -14.847 10.163 -15.017 444 HB3 GLU 49 2HB GLU 49 -15.222 10.093 -13.301 445 HG2 GLU 49 1HG GLU 49 -16.349 12.020 -13.343 446 HG3 GLU 49 2HG GLU 49 -15.166 12.802 -14.390 447 H GLN 50 HN GLN 50 -11.065 10.243 -13.260 448 HA GLN 50 HA GLN 50 -11.595 8.319 -11.301 449 HB2 GLN 50 1HB GLN 50 -9.359 7.968 -11.300 450 HB3 GLN 50 2HB GLN 50 -9.401 9.018 -12.710 451 HG2 GLN 50 1HG GLN 50 -8.756 9.825 -9.884 452 HG3 GLN 50 2HG GLN 50 -7.629 9.699 -11.234 453 HE21 GLN 50 1HE2 GLN 50 -9.219 10.869 -13.217 454 HE22 GLN 50 2HE2 GLN 50 -9.390 12.550 -12.857 455 H GLY 51 HN GLY 51 -11.612 11.715 -11.096 456 HA2 GLY 51 2HA GLY 51 -11.119 11.729 -8.211 457 HA3 GLY 51 3HA GLY 51 -11.302 13.143 -9.239 458 H GLN 52 HN GLN 52 -13.533 10.453 -9.329 459 HA GLN 52 HA GLN 52 -15.665 12.254 -8.477 460 HB2 GLN 52 1HB GLN 52 -15.479 9.858 -10.163 461 HB3 GLN 52 2HB GLN 52 -16.892 9.890 -9.117 462 HG2 GLN 52 1HG GLN 52 -16.183 12.255 -10.803 463 HG3 GLN 52 2HG GLN 52 -17.061 10.886 -11.482 464 HE21 GLN 52 1HE2 GLN 52 -18.833 10.149 -9.727 465 HE22 GLN 52 2HE2 GLN 52 -19.894 11.433 -9.271 466 H ARG 53 HN ARG 53 -13.652 10.915 -6.660 467 HA ARG 53 HA ARG 53 -15.236 9.072 -5.099 468 HB2 ARG 53 1HB ARG 53 -13.282 9.029 -3.594 469 HB3 ARG 53 2HB ARG 53 -12.839 8.711 -5.265 470 HG2 ARG 53 1HG ARG 53 -12.520 11.413 -5.112 471 HG3 ARG 53 2HG ARG 53 -12.049 10.892 -3.492 472 HD2 ARG 53 1HD ARG 53 -10.943 9.830 -6.090 473 HD3 ARG 53 2HD ARG 53 -10.130 10.955 -5.003 474 HE ARG 53 HE ARG 53 -10.878 8.544 -3.678 475 HH11 ARG 53 1HH1 ARG 53 -8.505 9.954 -5.799 476 HH12 ARG 53 2HH1 ARG 53 -7.248 8.854 -5.337 477 HH21 ARG 53 1HH2 ARG 53 -9.232 7.090 -3.062 478 HH22 ARG 53 2HH2 ARG 53 -7.664 7.225 -3.781 479 H HIS 54 HN HIS 54 -15.007 12.406 -5.345 480 HA HIS 54 HA HIS 54 -15.312 13.143 -2.613 481 HB2 HIS 54 1HB HIS 54 -14.578 14.610 -4.606 482 HB3 HIS 54 2HB HIS 54 -16.299 14.785 -4.934 483 HD1 HIS 54 1HD HIS 54 -16.279 17.297 -4.389 484 HD2 HIS 54 2HD HIS 54 -15.052 14.884 -1.238 485 HE1 HIS 54 1HE HIS 54 -16.247 18.794 -2.369 486 H HIS 55 HN HIS 55 -17.204 13.944 -1.573 487 HA HIS 55 HA HIS 55 -19.431 12.319 -1.707 488 HB2 HIS 55 1HB HIS 55 -20.549 13.930 -0.282 489 HB3 HIS 55 2HB HIS 55 -18.861 13.803 0.202 490 HD1 HIS 55 1HD HIS 55 -17.652 15.952 0.440 491 HD2 HIS 55 2HD HIS 55 -21.012 16.318 -1.975 492 HE1 HIS 55 1HE HIS 55 -17.835 18.404 -0.090 493 H GLY 56 HN GLY 56 -21.700 12.966 -2.222 494 HA2 GLY 56 2HA GLY 56 -23.176 14.383 -3.525 495 HA3 GLY 56 3HA GLY 56 -21.821 14.716 -4.594 496 H TRP 57 HN TRP 57 -23.098 11.653 -3.316 497 HA TRP 57 HA TRP 57 -23.420 10.755 -6.104 498 HB2 TRP 57 1HB TRP 57 -23.311 8.581 -4.205 499 HB3 TRP 57 2HB TRP 57 -22.287 8.891 -5.604 500 HD1 TRP 57 HD TRP 57 -20.025 10.324 -5.168 501 HE1 TRP 57 1HE TRP 57 -18.613 10.629 -3.038 502 HE3 TRP 57 3HE TRP 57 -23.440 8.757 -1.700 503 HZ2 TRP 57 2HZ TRP 57 -18.908 10.254 -0.256 504 HZ3 TRP 57 3HZ TRP 57 -22.795 8.761 0.674 505 HH2 TRP 57 HH TRP 57 -20.575 9.494 1.380 506 H GLY 58 HN GLY 58 -24.590 9.576 -2.949 507 HA2 GLY 58 2HA GLY 58 -26.798 9.507 -2.173 508 HA3 GLY 58 3HA GLY 58 -27.342 10.101 -3.735 509 H ARG 59 HN ARG 59 -26.320 8.277 -5.479 510 HA ARG 59 HA ARG 59 -27.912 5.919 -4.817 511 HB2 ARG 59 1HB ARG 59 -28.095 7.285 -7.012 512 HB3 ARG 59 2HB ARG 59 -26.625 6.443 -7.480 513 HG2 ARG 59 1HG ARG 59 -28.409 5.221 -8.407 514 HG3 ARG 59 2HG ARG 59 -27.851 4.290 -7.015 515 HD2 ARG 59 1HD ARG 59 -30.256 4.330 -7.019 516 HD3 ARG 59 2HD ARG 59 -29.668 5.300 -5.670 517 HE ARG 59 HE ARG 59 -30.147 6.877 -7.998 518 HH11 ARG 59 1HH1 ARG 59 -31.692 5.338 -5.284 519 HH12 ARG 59 2HH1 ARG 59 -33.036 6.431 -5.263 520 HH21 ARG 59 1HH2 ARG 59 -31.912 8.322 -7.981 521 HH22 ARG 59 2HH2 ARG 59 -33.160 8.127 -6.798 522 H LYS 60 HN LYS 60 -25.342 6.284 -3.565 523 HA LYS 60 HA LYS 60 -23.544 5.018 -2.977 524 HB2 LYS 60 1HB LYS 60 -25.340 3.176 -3.459 525 HB3 LYS 60 2HB LYS 60 -24.367 2.863 -4.891 526 HG2 LYS 60 1HG LYS 60 -22.791 1.810 -3.721 527 HG3 LYS 60 2HG LYS 60 -22.780 3.044 -2.458 528 HD2 LYS 60 1HD LYS 60 -23.596 1.311 -1.232 529 HD3 LYS 60 2HD LYS 60 -25.122 1.906 -1.890 530 HE2 LYS 60 1HE LYS 60 -23.765 0.021 -3.652 531 HE3 LYS 60 2HE LYS 60 -24.168 -0.669 -2.081 532 HZ1 LYS 60 3HZ LYS 60 -26.186 0.844 -3.606 533 HZ2 LYS 60 1HZ LYS 60 -26.415 -0.338 -2.418 534 HZ3 LYS 60 2HZ LYS 60 -25.891 -0.783 -3.963 535 H ASN 61 HN ASN 61 -23.364 6.881 -5.140 536 HA ASN 61 HA ASN 61 -22.181 7.346 -7.080 537 HB2 ASN 61 1HB ASN 61 -19.694 6.925 -6.619 538 HB3 ASN 61 2HB ASN 61 -20.567 7.919 -5.458 539 HD21 ASN 61 1HD2 ASN 61 -19.728 4.529 -6.066 540 HD22 ASN 61 2HD2 ASN 61 -19.427 4.129 -4.412 541 H SER 62 HN SER 62 -23.539 5.158 -7.748 542 HA SER 62 HA SER 62 -21.839 2.975 -8.516 543 HB2 SER 62 1HB SER 62 -24.701 3.641 -9.239 544 HB3 SER 62 2HB SER 62 -23.881 2.150 -9.702 545 HG SER 62 HG SER 62 -25.210 2.187 -7.680 546 H LEU 63 HN LEU 63 -20.715 5.246 -9.520 547 HA LEU 63 HA LEU 63 -20.789 4.699 -12.367 548 HB2 LEU 63 1HB LEU 63 -20.775 7.352 -12.601 549 HB3 LEU 63 2HB LEU 63 -22.250 6.390 -12.676 550 HG LEU 63 HG LEU 63 -22.773 6.947 -10.380 551 HD11 LEU 63 1HD1 LEU 63 -19.987 7.853 -10.370 552 HD12 LEU 63 2HD1 LEU 63 -20.997 7.263 -9.051 553 HD13 LEU 63 3HD1 LEU 63 -21.119 8.944 -9.571 554 HD21 LEU 63 3HD2 LEU 63 -23.249 9.284 -10.649 555 HD22 LEU 63 1HD2 LEU 63 -23.432 8.490 -12.213 556 HD23 LEU 63 2HD2 LEU 63 -21.989 9.446 -11.874 557 H THR 64 HN THR 64 -18.988 4.704 -9.873 558 HA THR 64 HA THR 64 -16.722 6.102 -11.140 559 HB THR 64 HB THR 64 -16.484 5.599 -8.251 560 HG1 THR 64 1HG THR 64 -17.809 7.710 -8.061 561 HG21 THR 64 3HG2 THR 64 -15.890 8.156 -8.523 562 HG22 THR 64 1HG2 THR 64 -15.794 7.721 -10.228 563 HG23 THR 64 2HG2 THR 64 -14.769 6.901 -9.050 564 H LYS 65 HN LYS 65 -14.594 5.189 -9.954 565 HA LYS 65 HA LYS 65 -14.085 2.694 -10.987 566 HB2 LYS 65 1HB LYS 65 -12.190 2.625 -9.264 567 HB3 LYS 65 2HB LYS 65 -12.216 3.981 -10.384 568 HG2 LYS 65 1HG LYS 65 -12.648 5.494 -8.761 569 HG3 LYS 65 2HG LYS 65 -13.617 4.364 -7.812 570 HD2 LYS 65 1HD LYS 65 -11.800 3.517 -6.713 571 HD3 LYS 65 2HD LYS 65 -10.702 3.835 -8.058 572 HE2 LYS 65 1HE LYS 65 -11.736 6.309 -7.050 573 HE3 LYS 65 2HE LYS 65 -11.073 5.361 -5.720 574 HZ1 LYS 65 3HZ LYS 65 -9.063 5.973 -6.369 575 HZ2 LYS 65 1HZ LYS 65 -9.696 6.813 -7.694 576 HZ3 LYS 65 2HZ LYS 65 -9.286 5.180 -7.846 577 H GLU 66 HN GLU 66 -15.444 3.526 -7.865 578 HA GLU 66 HA GLU 66 -15.181 1.022 -6.615 579 HB2 GLU 66 1HB GLU 66 -16.979 3.383 -6.224 580 HB3 GLU 66 2HB GLU 66 -17.313 1.892 -5.354 581 HG2 GLU 66 1HG GLU 66 -15.859 3.738 -4.260 582 HG3 GLU 66 2HG GLU 66 -15.411 2.043 -4.081 583 H ALA 67 HN ALA 67 -17.853 2.413 -8.501 584 HA ALA 67 HA ALA 67 -19.597 0.221 -8.284 585 HB1 ALA 67 1HB ALA 67 -19.720 1.749 -10.795 586 HB2 ALA 67 2HB ALA 67 -20.976 1.418 -9.600 587 HB3 ALA 67 3HB ALA 67 -19.808 2.709 -9.317 588 H VAL 68 HN VAL 68 -17.373 1.116 -10.925 589 HA VAL 68 HA VAL 68 -17.838 -1.052 -12.593 590 HB VAL 68 HB VAL 68 -15.175 0.315 -12.189 591 HG11 VAL 68 1HG1 VAL 68 -15.065 -1.745 -13.506 592 HG12 VAL 68 2HG1 VAL 68 -16.319 -1.124 -14.581 593 HG13 VAL 68 3HG1 VAL 68 -14.749 -0.325 -14.501 594 HG21 VAL 68 3HG2 VAL 68 -15.932 1.765 -14.083 595 HG22 VAL 68 1HG2 VAL 68 -17.546 1.083 -13.882 596 HG23 VAL 68 2HG2 VAL 68 -16.813 2.013 -12.575 597 H ALA 69 HN ALA 69 -15.558 -0.746 -9.898 598 HA ALA 69 HA ALA 69 -14.385 -3.312 -10.242 599 HB1 ALA 69 1HB ALA 69 -13.807 -2.832 -7.702 600 HB2 ALA 69 2HB ALA 69 -12.996 -1.983 -9.019 601 HB3 ALA 69 3HB ALA 69 -14.319 -1.205 -8.152 602 H LYS 70 HN LYS 70 -17.203 -2.131 -8.557 603 HA LYS 70 HA LYS 70 -17.615 -4.335 -6.843 604 HB2 LYS 70 1HB LYS 70 -18.780 -2.288 -6.407 605 HB3 LYS 70 2HB LYS 70 -19.518 -2.299 -8.003 606 HG2 LYS 70 1HG LYS 70 -20.864 -4.210 -7.417 607 HG3 LYS 70 2HG LYS 70 -20.057 -4.337 -5.852 608 HD2 LYS 70 1HD LYS 70 -21.607 -2.985 -5.005 609 HD3 LYS 70 2HD LYS 70 -20.985 -1.694 -6.035 610 HE2 LYS 70 1HE LYS 70 -22.625 -1.982 -7.615 611 HE3 LYS 70 2HE LYS 70 -22.862 -3.682 -7.214 612 HZ1 LYS 70 3HZ LYS 70 -24.005 -1.298 -5.956 613 HZ2 LYS 70 1HZ LYS 70 -23.703 -2.642 -4.974 614 HZ3 LYS 70 2HZ LYS 70 -24.731 -2.785 -6.309 615 H ILE 71 HN ILE 71 -18.912 -3.580 -10.066 616 HA ILE 71 HA ILE 71 -20.411 -5.986 -10.287 617 HB ILE 71 HB ILE 71 -19.416 -4.350 -12.609 618 HG12 ILE 71 1HG1 ILE 71 -20.369 -2.787 -11.013 619 HG13 ILE 71 2HG1 ILE 71 -21.485 -3.001 -12.358 620 HG21 ILE 71 1HG2 ILE 71 -21.750 -5.045 -13.440 621 HG22 ILE 71 2HG2 ILE 71 -20.473 -6.259 -13.416 622 HG23 ILE 71 3HG2 ILE 71 -21.694 -6.238 -12.143 623 HD11 ILE 71 3HD1 ILE 71 -22.307 -4.905 -10.558 624 HD12 ILE 71 1HD1 ILE 71 -21.840 -3.549 -9.532 625 HD13 ILE 71 2HD1 ILE 71 -23.039 -3.320 -10.806 626 H VAL 72 HN VAL 72 -17.194 -4.993 -11.351 627 HA VAL 72 HA VAL 72 -16.588 -7.231 -12.931 628 HB VAL 72 HB VAL 72 -14.869 -5.278 -11.429 629 HG11 VAL 72 1HG1 VAL 72 -14.091 -7.877 -12.577 630 HG12 VAL 72 2HG1 VAL 72 -13.083 -6.503 -13.038 631 HG13 VAL 72 3HG1 VAL 72 -13.307 -6.902 -11.334 632 HG21 VAL 72 3HG2 VAL 72 -14.288 -5.370 -14.177 633 HG22 VAL 72 1HG2 VAL 72 -16.045 -5.437 -14.038 634 HG23 VAL 72 2HG2 VAL 72 -15.151 -4.109 -13.298 635 H ASP 73 HN ASP 73 -16.164 -6.633 -9.472 636 HA ASP 73 HA ASP 73 -14.791 -9.071 -8.947 637 HB2 ASP 73 1HB ASP 73 -14.713 -7.034 -7.485 638 HB3 ASP 73 2HB ASP 73 -16.368 -7.385 -6.994 639 H ASP 74 HN ASP 74 -18.157 -8.031 -8.451 640 HA ASP 74 HA ASP 74 -19.097 -10.465 -7.410 641 HB2 ASP 74 1HB ASP 74 -20.257 -7.968 -8.392 642 HB3 ASP 74 2HB ASP 74 -21.277 -9.369 -8.710 643 H THR 75 HN THR 75 -18.910 -9.246 -10.723 644 HA THR 75 HA THR 75 -20.309 -11.350 -11.963 645 HB THR 75 HB THR 75 -18.138 -9.571 -13.089 646 HG1 THR 75 1HG THR 75 -20.194 -8.666 -14.072 647 HG21 THR 75 3HG2 THR 75 -20.155 -11.286 -14.543 648 HG22 THR 75 1HG2 THR 75 -18.431 -11.632 -14.409 649 HG23 THR 75 2HG2 THR 75 -18.979 -10.202 -15.285 650 H TYR 76 HN TYR 76 -16.829 -10.863 -11.419 651 HA TYR 76 HA TYR 76 -15.995 -13.253 -12.664 652 HB2 TYR 76 1HB TYR 76 -14.734 -11.064 -11.556 653 HB3 TYR 76 2HB TYR 76 -14.300 -12.363 -10.450 654 HD1 TYR 76 2HD TYR 76 -14.168 -14.641 -12.380 655 HD2 TYR 76 1HD TYR 76 -12.713 -10.653 -12.672 656 HE1 TYR 76 2HE TYR 76 -12.428 -15.396 -13.946 657 HE2 TYR 76 1HE TYR 76 -10.970 -11.397 -14.239 658 HH TYR 76 HH TYR 76 -10.678 -14.814 -15.174 659 H ARG 77 HN ARG 77 -16.512 -12.462 -9.231 660 HA ARG 77 HA ARG 77 -15.854 -14.921 -8.134 661 HB2 ARG 77 1HB ARG 77 -16.787 -12.546 -7.153 662 HB3 ARG 77 2HB ARG 77 -18.165 -13.604 -6.881 663 HG2 ARG 77 1HG ARG 77 -17.187 -14.477 -5.101 664 HG3 ARG 77 2HG ARG 77 -15.783 -14.947 -6.063 665 HD2 ARG 77 1HD ARG 77 -16.255 -12.299 -4.701 666 HD3 ARG 77 2HD ARG 77 -15.065 -13.524 -4.260 667 HE ARG 77 HE ARG 77 -14.788 -12.518 -6.945 668 HH11 ARG 77 1HH1 ARG 77 -13.920 -12.086 -3.601 669 HH12 ARG 77 2HH1 ARG 77 -12.478 -11.194 -3.955 670 HH21 ARG 77 1HH2 ARG 77 -12.891 -11.345 -7.424 671 HH22 ARG 77 2HH2 ARG 77 -11.894 -10.773 -6.130 672 H LYS 78 HN LYS 78 -18.948 -13.809 -9.446 673 HA LYS 78 HA LYS 78 -20.306 -16.263 -8.833 674 HB2 LYS 78 1HB LYS 78 -21.076 -13.942 -10.610 675 HB3 LYS 78 2HB LYS 78 -22.134 -15.292 -10.224 676 HG2 LYS 78 1HG LYS 78 -21.039 -14.089 -7.836 677 HG3 LYS 78 2HG LYS 78 -21.896 -12.910 -8.831 678 HD2 LYS 78 1HD LYS 78 -23.742 -14.723 -8.959 679 HD3 LYS 78 2HD LYS 78 -22.929 -15.415 -7.553 680 HE2 LYS 78 1HE LYS 78 -23.650 -12.513 -7.594 681 HE3 LYS 78 2HE LYS 78 -24.879 -13.722 -7.223 682 HZ1 LYS 78 3HZ LYS 78 -22.454 -13.023 -5.706 683 HZ2 LYS 78 1HZ LYS 78 -23.131 -14.565 -5.546 684 HZ3 LYS 78 2HZ LYS 78 -24.045 -13.196 -5.157 685 H MET 79 HN MET 79 -18.436 -15.035 -11.475 686 HA MET 79 HA MET 79 -19.402 -16.709 -13.528 687 HB2 MET 79 1HB MET 79 -18.049 -14.753 -14.023 688 HB3 MET 79 2HB MET 79 -16.683 -15.441 -13.155 689 HG2 MET 79 1HG MET 79 -16.627 -17.287 -14.804 690 HG3 MET 79 2HG MET 79 -17.905 -16.471 -15.703 691 HE1 MET 79 3HE MET 79 -17.650 -13.850 -16.224 692 HE2 MET 79 1HE MET 79 -16.274 -13.421 -17.242 693 HE3 MET 79 2HE MET 79 -17.305 -14.783 -17.681 694 H GLN 80 HN GLN 80 -16.446 -17.019 -11.550 695 HA GLN 80 HA GLN 80 -16.783 -19.812 -11.177 696 HB2 GLN 80 1HB GLN 80 -15.677 -19.121 -13.647 697 HB3 GLN 80 2HB GLN 80 -14.300 -19.588 -12.657 698 HG2 GLN 80 1HG GLN 80 -14.790 -21.657 -13.329 699 HG3 GLN 80 2HG GLN 80 -16.048 -21.582 -12.096 700 HE21 GLN 80 1HE2 GLN 80 -15.643 -20.343 -15.401 701 HE22 GLN 80 2HE2 GLN 80 -17.156 -20.933 -15.989 702 H ILE 81 HN ILE 81 -16.058 -17.239 -9.825 703 HA ILE 81 HA ILE 81 -14.617 -16.436 -8.244 704 HB ILE 81 HB ILE 81 -13.933 -19.296 -7.632 705 HG12 ILE 81 1HG1 ILE 81 -16.513 -17.858 -6.979 706 HG13 ILE 81 2HG1 ILE 81 -16.340 -19.245 -8.048 707 HG21 ILE 81 1HG2 ILE 81 -13.187 -18.487 -5.698 708 HG22 ILE 81 2HG2 ILE 81 -13.352 -16.880 -6.403 709 HG23 ILE 81 3HG2 ILE 81 -14.663 -17.558 -5.438 710 HD11 ILE 81 3HD1 ILE 81 -16.883 -20.452 -6.261 711 HD12 ILE 81 1HD1 ILE 81 -15.230 -20.156 -5.723 712 HD13 ILE 81 2HD1 ILE 81 -16.543 -19.127 -5.149 713 H GLN 82 HN GLN 82 -13.482 -16.886 -10.900 714 HA GLN 82 HA GLN 82 -10.770 -17.795 -10.421 715 HB2 GLN 82 1HB GLN 82 -12.453 -17.558 -12.686 716 HB3 GLN 82 2HB GLN 82 -11.076 -16.500 -12.960 717 HG2 GLN 82 1HG GLN 82 -10.804 -18.808 -13.841 718 HG3 GLN 82 2HG GLN 82 -9.542 -18.297 -12.721 719 HE21 GLN 82 1HE2 GLN 82 -9.198 -19.444 -10.911 720 HE22 GLN 82 2HE2 GLN 82 -10.120 -20.824 -10.433 721 H CYS 83 HN CYS 83 -8.949 -16.389 -11.254 722 HA CYS 83 HA CYS 83 -7.701 -14.488 -11.156 723 HB2 CYS 83 1HB CYS 83 -10.331 -13.570 -11.924 724 HB3 CYS 83 2HB CYS 83 -9.540 -12.378 -10.900 725 HG CYS 83 HG CYS 83 -7.310 -12.083 -12.524 726 H ALA 84 HN ALA 84 -10.493 -13.298 -9.321 727 HA ALA 84 HA ALA 84 -10.638 -12.436 -7.211 728 HB1 ALA 84 1HB ALA 84 -8.821 -14.586 -6.230 729 HB2 ALA 84 2HB ALA 84 -10.333 -13.987 -5.547 730 HB3 ALA 84 3HB ALA 84 -10.360 -15.031 -6.968 731 HA PRO 85 HA PRO 85 -6.386 -10.507 -7.509 732 HB2 PRO 85 1HB PRO 85 -7.276 -7.984 -7.973 733 HB3 PRO 85 2HB PRO 85 -6.981 -9.152 -9.267 734 HG2 PRO 85 1HG PRO 85 -9.564 -8.378 -7.967 735 HG3 PRO 85 2HG PRO 85 -9.210 -8.639 -9.685 736 HD2 PRO 85 1HD PRO 85 -10.434 -10.504 -8.150 737 HD3 PRO 85 2HD PRO 85 -9.359 -10.932 -9.497 738 H ASP 86 HN ASP 86 -9.170 -10.288 -5.604 739 HA ASP 86 HA ASP 86 -9.543 -9.636 -3.457 740 HB2 ASP 86 1HB ASP 86 -7.202 -10.715 -3.241 741 HB3 ASP 86 2HB ASP 86 -6.608 -9.059 -3.149 742 H LEU 87 HN LEU 87 -10.571 -7.777 -4.559 743 HA LEU 87 HA LEU 87 -9.368 -5.323 -5.016 744 HB2 LEU 87 1HB LEU 87 -11.654 -5.908 -5.695 745 HB3 LEU 87 2HB LEU 87 -12.163 -5.836 -4.009 746 HG LEU 87 HG LEU 87 -11.522 -3.406 -4.024 747 HD11 LEU 87 1HD1 LEU 87 -10.019 -3.321 -5.871 748 HD12 LEU 87 2HD1 LEU 87 -11.431 -2.351 -6.287 749 HD13 LEU 87 3HD1 LEU 87 -11.239 -3.965 -6.969 750 HD21 LEU 87 3HD2 LEU 87 -13.823 -3.932 -4.143 751 HD22 LEU 87 1HD2 LEU 87 -13.694 -4.448 -5.825 752 HD23 LEU 87 2HD2 LEU 87 -13.527 -2.742 -5.411 753 H ALA 88 HN ALA 88 -10.162 -6.858 -2.030 754 HA ALA 88 HA ALA 88 -9.764 -6.295 0.140 755 HB1 ALA 88 1HB ALA 88 -8.235 -3.897 -0.821 756 HB2 ALA 88 2HB ALA 88 -7.990 -4.849 0.644 757 HB3 ALA 88 3HB ALA 88 -7.577 -5.530 -0.930 758 H THR 89 HN THR 89 -12.010 -5.122 -1.455 759 HA THR 89 HA THR 89 -13.756 -3.694 -1.149 760 HB THR 89 HB THR 89 -12.759 -3.085 1.618 761 HG1 THR 89 1HG THR 89 -13.193 -5.083 2.271 762 HG21 THR 89 3HG2 THR 89 -15.389 -3.202 0.209 763 HG22 THR 89 1HG2 THR 89 -14.751 -1.970 1.298 764 HG23 THR 89 2HG2 THR 89 -15.332 -3.505 1.945 765 H ARG 90 HN ARG 90 -11.006 -2.686 -1.922 766 HA ARG 90 HA ARG 90 -9.990 -0.712 -2.420 767 HB2 ARG 90 1HB ARG 90 -12.840 -0.266 -2.606 768 HB3 ARG 90 2HB ARG 90 -12.010 1.209 -2.129 769 HG2 ARG 90 1HG ARG 90 -10.748 -0.245 -4.340 770 HG3 ARG 90 2HG ARG 90 -12.359 0.386 -4.685 771 HD2 ARG 90 1HD ARG 90 -10.568 1.977 -5.270 772 HD3 ARG 90 2HD ARG 90 -11.668 2.610 -4.047 773 HE ARG 90 HE ARG 90 -9.667 1.532 -2.581 774 HH11 ARG 90 1HH1 ARG 90 -9.747 3.788 -5.232 775 HH12 ARG 90 2HH1 ARG 90 -8.322 4.634 -4.726 776 HH21 ARG 90 1HH2 ARG 90 -7.790 2.638 -1.905 777 HH22 ARG 90 2HH2 ARG 90 -7.209 3.978 -2.834 778 H SER 91 HN SER 91 -10.295 -1.577 0.434 779 HA SER 91 HA SER 91 -10.205 0.999 1.820 780 HB2 SER 91 1HB SER 91 -10.643 -1.827 2.666 781 HB3 SER 91 2HB SER 91 -9.918 -0.722 3.833 782 HG SER 91 HG SER 91 -11.909 -0.153 4.186 783 H HIS 92 HN HIS 92 -8.193 1.740 1.089 784 HA HIS 92 HA HIS 92 -5.980 1.019 2.675 785 HB2 HIS 92 1HB HIS 92 -4.497 0.048 1.022 786 HB3 HIS 92 2HB HIS 92 -5.954 -0.935 1.139 787 HD1 HIS 92 1HD HIS 92 -7.863 0.119 -0.770 788 HD2 HIS 92 2HD HIS 92 -3.788 0.261 -1.564 789 HE1 HIS 92 1HE HIS 92 -7.672 0.338 -3.268 790 H SER 93 HN SER 93 -7.446 3.351 1.802 791 HA SER 93 HA SER 93 -5.319 5.142 1.416 792 HB2 SER 93 1HB SER 93 -5.183 5.501 -0.811 793 HB3 SER 93 2HB SER 93 -5.956 3.923 -0.963 794 HG SER 93 HG SER 93 -7.986 5.082 -0.936 795 H GLY 94 HN GLY 94 -5.951 7.270 1.702 796 HA2 GLY 94 2HA GLY 94 -8.769 7.603 2.463 797 HA3 GLY 94 3HA GLY 94 -7.435 8.613 2.999 798 H SER 95 HN SER 95 -7.273 10.546 2.087 799 HA SER 95 HA SER 95 -7.449 12.259 0.594 800 HB2 SER 95 1HB SER 95 -6.811 10.127 -0.991 801 HB3 SER 95 2HB SER 95 -8.343 10.638 -1.700 802 HG SER 95 HG SER 95 -7.237 12.156 -2.622 803 H ASP 96 HN ASP 96 -9.831 10.662 1.870 804 HA ASP 96 HA ASP 96 -11.930 12.128 0.410 805 HB2 ASP 96 1HB ASP 96 -11.987 9.405 1.688 806 HB3 ASP 96 2HB ASP 96 -13.470 10.317 1.423 807 H PHE 97 HN PHE 97 -10.166 12.075 3.172 808 HA PHE 97 HA PHE 97 -12.370 13.021 4.869 809 HB2 PHE 97 1HB PHE 97 -10.106 11.377 5.383 810 HB3 PHE 97 2HB PHE 97 -9.906 12.863 6.306 811 HD1 PHE 97 2HD PHE 97 -12.322 13.637 7.367 812 HD2 PHE 97 1HD PHE 97 -11.039 9.660 6.561 813 HE1 PHE 97 2HE PHE 97 -13.885 12.792 9.068 814 HE2 PHE 97 1HE PHE 97 -12.601 8.808 8.260 815 HZ PHE 97 HZ PHE 97 -14.026 10.374 9.517 816 H SER 98 HN SER 98 -10.478 14.349 2.708 817 HA SER 98 HA SER 98 -10.579 16.950 3.866 818 HB2 SER 98 1HB SER 98 -7.949 15.504 3.768 819 HB3 SER 98 2HB SER 98 -8.003 17.255 3.566 820 HG SER 98 HG SER 98 -8.463 17.480 5.614 821 H PHE 99 HN PHE 99 -11.648 15.889 1.560 822 HA PHE 99 HA PHE 99 -10.021 16.407 -0.726 823 HB2 PHE 99 1HB PHE 99 -12.124 14.900 -0.526 824 HB3 PHE 99 2HB PHE 99 -13.026 16.391 -0.776 825 HD1 PHE 99 1HD PHE 99 -10.579 14.084 -2.285 826 HD2 PHE 99 2HD PHE 99 -13.201 17.376 -2.918 827 HE1 PHE 99 1HE PHE 99 -10.288 13.844 -4.716 828 HE2 PHE 99 2HE PHE 99 -12.915 17.141 -5.350 829 HZ PHE 99 HZ PHE 99 -11.458 15.373 -6.252 830 H ARG 100 HN ARG 100 -9.257 18.547 -0.116 831 HA ARG 100 HA ARG 100 -10.781 20.800 0.306 832 HB2 ARG 100 1HB ARG 100 -8.340 20.780 0.479 833 HB3 ARG 100 2HB ARG 100 -8.207 20.591 -1.265 834 HG2 ARG 100 1HG ARG 100 -7.896 22.823 -1.157 835 HG3 ARG 100 2HG ARG 100 -9.660 22.823 -1.206 836 HD2 ARG 100 1HD ARG 100 -9.495 24.083 0.644 837 HD3 ARG 100 2HD ARG 100 -9.202 22.546 1.457 838 HE ARG 100 HE ARG 100 -6.771 23.593 0.485 839 HH11 ARG 100 1HH1 ARG 100 -9.162 24.128 2.958 840 HH12 ARG 100 2HH1 ARG 100 -8.044 24.853 4.065 841 HH21 ARG 100 1HH2 ARG 100 -5.290 24.546 1.934 842 HH22 ARG 100 2HH2 ARG 100 -5.842 25.092 3.482 843 HA PRO 101 HA PRO 101 -13.030 21.385 -3.448 844 HB2 PRO 101 1HB PRO 101 -13.759 23.969 -3.046 845 HB3 PRO 101 2HB PRO 101 -14.502 22.616 -2.185 846 HG2 PRO 101 1HG PRO 101 -12.354 24.492 -1.273 847 HG3 PRO 101 2HG PRO 101 -13.764 23.888 -0.383 848 HD2 PRO 101 1HD PRO 101 -11.280 22.862 -0.049 849 HD3 PRO 101 2HD PRO 101 -12.750 21.878 0.109 850 H ILE 102 HN ILE 102 -13.244 23.472 -5.023 851 HA ILE 102 HA ILE 102 -10.586 24.574 -5.553 852 HB ILE 102 HB ILE 102 -12.134 23.407 -7.839 853 HG12 ILE 102 1HG1 ILE 102 -10.388 21.972 -5.873 854 HG13 ILE 102 2HG1 ILE 102 -11.884 21.437 -6.631 855 HG21 ILE 102 1HG2 ILE 102 -10.188 23.667 -9.050 856 HG22 ILE 102 2HG2 ILE 102 -10.122 25.053 -7.963 857 HG23 ILE 102 3HG2 ILE 102 -9.163 23.614 -7.616 858 HD11 ILE 102 3HD1 ILE 102 -10.341 20.127 -7.693 859 HD12 ILE 102 1HD1 ILE 102 -10.452 21.487 -8.810 860 HD13 ILE 102 2HD1 ILE 102 -9.102 21.382 -7.680 861 H GLU 103 HN GLU 103 -13.015 25.760 -4.560 862 HA GLU 103 HA GLU 103 -14.595 27.054 -6.410 863 HB2 GLU 103 1HB GLU 103 -13.881 27.436 -3.620 864 HB3 GLU 103 2HB GLU 103 -14.166 28.968 -4.433 865 HG2 GLU 103 1HG GLU 103 -16.314 27.746 -5.305 866 HG3 GLU 103 2HG GLU 103 -16.045 26.728 -3.892 867 H GLU 104 HN GLU 104 -11.299 27.732 -5.481 868 HA GLU 104 HA GLU 104 -9.727 29.157 -6.301 869 HB2 GLU 104 1HB GLU 104 -10.605 28.080 -8.451 870 HB3 GLU 104 2HB GLU 104 -11.519 29.563 -8.688 871 HG2 GLU 104 1HG GLU 104 -9.713 30.223 -9.824 872 HG3 GLU 104 2HG GLU 104 -9.049 30.562 -8.227 873 H ALA 105 HN ALA 105 -11.699 30.229 -4.573 874 HA ALA 105 HA ALA 105 -12.202 32.911 -5.650 875 HB1 ALA 105 1HB ALA 105 -13.522 33.102 -3.430 876 HB2 ALA 105 2HB ALA 105 -14.186 32.131 -4.745 877 HB3 ALA 105 3HB ALA 105 -13.378 31.345 -3.389 Start of MODEL 4 1 H1 GLY -5 HN GLY -5 -5.136 7.934 -4.625 2 HA2 GLY -5 2HA GLY -5 -5.279 6.669 -2.023 3 HA3 GLY -5 3HA GLY -5 -5.248 5.856 -3.581 4 H SER -4 HN SER -4 -3.655 5.835 -0.875 5 HA SER -4 HA SER -4 -1.005 6.474 -1.310 6 HB2 SER -4 1HB SER -4 -0.535 4.523 0.293 7 HB3 SER -4 2HB SER -4 -1.601 5.801 0.877 8 HG SER -4 HG SER -4 -2.359 3.607 1.238 9 H HIS -3 HN HIS -3 -2.101 3.093 -1.422 10 HA HIS -3 HA HIS -3 -0.059 2.556 -3.445 11 HB2 HIS -3 1HB HIS -3 -1.724 0.713 -1.722 12 HB3 HIS -3 2HB HIS -3 -0.591 0.152 -2.949 13 HD1 HIS -3 1HD HIS -3 1.792 1.986 -2.369 14 HD2 HIS -3 2HD HIS -3 -0.423 0.064 0.574 15 HE1 HIS -3 1HE HIS -3 3.313 1.838 -0.372 16 H MET -2 HN MET -2 -2.196 4.013 -4.407 17 HA MET -2 HA MET -2 -3.220 2.185 -6.411 18 HB2 MET -2 1HB MET -2 -5.026 3.735 -4.557 19 HB3 MET -2 2HB MET -2 -5.565 3.092 -6.102 20 HG2 MET -2 1HG MET -2 -4.430 1.441 -3.859 21 HG3 MET -2 2HG MET -2 -6.148 1.663 -4.181 22 HE1 MET -2 3HE MET -2 -7.073 -0.437 -4.612 23 HE2 MET -2 1HE MET -2 -6.459 -1.720 -5.655 24 HE3 MET -2 2HE MET -2 -5.655 -1.367 -4.126 25 H ALA -1 HN ALA -1 -1.949 3.373 -7.853 26 HA ALA -1 HA ALA -1 -2.414 6.227 -8.137 27 HB1 ALA -1 1HB ALA -1 -0.168 5.704 -8.433 28 HB2 ALA -1 2HB ALA -1 -0.526 4.281 -9.411 29 HB3 ALA -1 3HB ALA -1 -0.762 5.894 -10.083 30 H SER 1 HN SER 1 -4.421 3.995 -8.792 31 HA SER 1 HA SER 1 -6.211 3.893 -10.217 32 HB2 SER 1 1HB SER 1 -5.373 6.446 -10.625 33 HB3 SER 1 2HB SER 1 -5.143 5.769 -12.237 34 HG SER 1 HG SER 1 -7.217 5.841 -12.489 35 H ALA 2 HN ALA 2 -3.031 3.265 -10.937 36 HA ALA 2 HA ALA 2 -3.281 2.360 -13.635 37 HB1 ALA 2 1HB ALA 2 -1.071 2.390 -13.479 38 HB2 ALA 2 2HB ALA 2 -1.187 2.689 -11.744 39 HB3 ALA 2 3HB ALA 2 -1.131 1.034 -12.352 40 H ASP 3 HN ASP 3 -3.628 0.883 -10.471 41 HA ASP 3 HA ASP 3 -3.808 -1.797 -11.514 42 HB2 ASP 3 1HB ASP 3 -2.972 -1.141 -9.190 43 HB3 ASP 3 2HB ASP 3 -4.664 -0.889 -8.768 44 H LEU 4 HN LEU 4 -6.040 0.709 -10.448 45 HA LEU 4 HA LEU 4 -8.377 -0.900 -10.535 46 HB2 LEU 4 1HB LEU 4 -8.168 1.234 -9.289 47 HB3 LEU 4 2HB LEU 4 -8.146 2.091 -10.829 48 HG LEU 4 HG LEU 4 -10.469 0.602 -10.957 49 HD11 LEU 4 1HD1 LEU 4 -10.890 1.922 -8.397 50 HD12 LEU 4 2HD1 LEU 4 -9.789 0.548 -8.296 51 HD13 LEU 4 3HD1 LEU 4 -11.411 0.332 -8.954 52 HD21 LEU 4 3HD2 LEU 4 -11.503 2.651 -11.111 53 HD22 LEU 4 1HD2 LEU 4 -9.832 3.082 -11.471 54 HD23 LEU 4 2HD2 LEU 4 -10.491 3.379 -9.863 55 H VAL 5 HN VAL 5 -6.815 1.260 -12.859 56 HA VAL 5 HA VAL 5 -8.847 1.001 -14.847 57 HB VAL 5 HB VAL 5 -5.986 1.945 -15.043 58 HG11 VAL 5 1HG1 VAL 5 -6.237 1.575 -17.243 59 HG12 VAL 5 2HG1 VAL 5 -7.989 1.410 -17.117 60 HG13 VAL 5 3HG1 VAL 5 -7.256 3.013 -17.197 61 HG21 VAL 5 3HG2 VAL 5 -6.822 4.125 -14.914 62 HG22 VAL 5 1HG2 VAL 5 -8.473 3.609 -15.257 63 HG23 VAL 5 2HG2 VAL 5 -7.741 3.243 -13.695 64 H SER 6 HN SER 6 -5.581 -0.381 -14.512 65 HA SER 6 HA SER 6 -5.631 -1.954 -16.824 66 HB2 SER 6 1HB SER 6 -3.566 -1.513 -15.588 67 HB3 SER 6 2HB SER 6 -4.166 -2.450 -14.220 68 HG SER 6 HG SER 6 -3.876 -3.547 -16.813 69 H SER 7 HN SER 7 -6.728 -2.634 -13.540 70 HA SER 7 HA SER 7 -7.343 -5.374 -14.028 71 HB2 SER 7 1HB SER 7 -8.388 -5.349 -11.852 72 HB3 SER 7 2HB SER 7 -6.907 -4.396 -11.761 73 HG SER 7 HG SER 7 -8.696 -3.350 -10.765 74 H CYS 8 HN CYS 8 -9.363 -2.457 -13.720 75 HA CYS 8 HA CYS 8 -11.820 -3.673 -14.257 76 HB2 CYS 8 1HB CYS 8 -10.798 -0.864 -14.541 77 HB3 CYS 8 2HB CYS 8 -12.416 -1.278 -15.095 78 HG CYS 8 HG CYS 8 -11.810 -2.349 -11.998 79 H LYS 9 HN LYS 9 -9.410 -2.286 -16.434 80 HA LYS 9 HA LYS 9 -10.937 -2.503 -18.802 81 HB2 LYS 9 1HB LYS 9 -9.057 -1.057 -18.849 82 HB3 LYS 9 2HB LYS 9 -7.975 -2.321 -18.278 83 HG2 LYS 9 1HG LYS 9 -9.261 -3.068 -20.756 84 HG3 LYS 9 2HG LYS 9 -8.389 -1.540 -20.904 85 HD2 LYS 9 1HD LYS 9 -6.851 -3.485 -19.420 86 HD3 LYS 9 2HD LYS 9 -7.311 -4.110 -21.006 87 HE2 LYS 9 1HE LYS 9 -6.192 -1.349 -20.746 88 HE3 LYS 9 2HE LYS 9 -5.111 -2.742 -20.735 89 HZ1 LYS 9 3HZ LYS 9 -7.056 -2.800 -22.855 90 HZ2 LYS 9 1HZ LYS 9 -5.385 -3.056 -22.913 91 HZ3 LYS 9 2HZ LYS 9 -6.000 -1.481 -22.950 92 H ASP 10 HN ASP 10 -8.324 -4.573 -17.535 93 HA ASP 10 HA ASP 10 -8.363 -6.542 -19.467 94 HB2 ASP 10 1HB ASP 10 -6.649 -6.521 -17.774 95 HB3 ASP 10 2HB ASP 10 -7.838 -6.781 -16.501 96 H LYS 11 HN LYS 11 -10.320 -6.348 -16.511 97 HA LYS 11 HA LYS 11 -11.718 -8.776 -16.965 98 HB2 LYS 11 1HB LYS 11 -12.574 -6.396 -15.309 99 HB3 LYS 11 2HB LYS 11 -13.210 -8.031 -15.188 100 HG2 LYS 11 1HG LYS 11 -11.311 -8.839 -14.159 101 HG3 LYS 11 2HG LYS 11 -10.294 -7.538 -14.783 102 HD2 LYS 11 1HD LYS 11 -11.575 -5.957 -13.320 103 HD3 LYS 11 2HD LYS 11 -12.369 -7.360 -12.602 104 HE2 LYS 11 1HE LYS 11 -10.220 -8.224 -11.866 105 HE3 LYS 11 2HE LYS 11 -9.390 -6.877 -12.644 106 HZ1 LYS 11 3HZ LYS 11 -10.326 -5.361 -11.115 107 HZ2 LYS 11 1HZ LYS 11 -9.746 -6.655 -10.192 108 HZ3 LYS 11 2HZ LYS 11 -11.403 -6.511 -10.500 109 H LEU 12 HN LEU 12 -12.749 -5.378 -17.314 110 HA LEU 12 HA LEU 12 -15.255 -5.792 -18.378 111 HB2 LEU 12 1HB LEU 12 -14.181 -3.607 -17.730 112 HB3 LEU 12 2HB LEU 12 -13.374 -3.629 -19.296 113 HG LEU 12 HG LEU 12 -16.101 -3.973 -19.846 114 HD11 LEU 12 1HD1 LEU 12 -16.001 -2.883 -17.345 115 HD12 LEU 12 2HD1 LEU 12 -17.325 -2.681 -18.493 116 HD13 LEU 12 3HD1 LEU 12 -16.068 -1.450 -18.372 117 HD21 LEU 12 3HD2 LEU 12 -14.022 -2.541 -20.808 118 HD22 LEU 12 1HD2 LEU 12 -14.978 -1.261 -20.059 119 HD23 LEU 12 2HD2 LEU 12 -15.701 -2.295 -21.292 120 H ALA 13 HN ALA 13 -12.143 -5.743 -20.057 121 HA ALA 13 HA ALA 13 -13.211 -5.999 -22.672 122 HB1 ALA 13 1HB ALA 13 -10.482 -6.960 -21.883 123 HB2 ALA 13 2HB ALA 13 -11.010 -6.244 -23.407 124 HB3 ALA 13 3HB ALA 13 -10.865 -5.240 -21.964 125 H TYR 14 HN TYR 14 -12.028 -8.340 -20.295 126 HA TYR 14 HA TYR 14 -12.395 -10.592 -22.029 127 HB2 TYR 14 1HB TYR 14 -10.728 -10.581 -20.201 128 HB3 TYR 14 2HB TYR 14 -12.036 -10.518 -19.025 129 HD1 TYR 14 2HD TYR 14 -11.332 -12.577 -22.072 130 HD2 TYR 14 1HD TYR 14 -12.321 -12.522 -17.934 131 HE1 TYR 14 2HE TYR 14 -11.444 -15.034 -22.072 132 HE2 TYR 14 1HE TYR 14 -12.434 -14.979 -17.922 133 HH TYR 14 HH TYR 14 -11.168 -16.888 -20.291 134 H PHE 15 HN PHE 15 -14.491 -8.667 -20.241 135 HA PHE 15 HA PHE 15 -16.448 -10.809 -19.850 136 HB2 PHE 15 1HB PHE 15 -16.162 -8.021 -18.789 137 HB3 PHE 15 2HB PHE 15 -17.743 -8.796 -18.785 138 HD1 PHE 15 1HD PHE 15 -17.281 -11.502 -18.051 139 HD2 PHE 15 2HD PHE 15 -15.298 -7.999 -16.667 140 HE1 PHE 15 1HE PHE 15 -16.711 -12.657 -15.954 141 HE2 PHE 15 2HE PHE 15 -14.724 -9.149 -14.569 142 HZ PHE 15 HZ PHE 15 -15.430 -11.481 -14.211 143 H ARG 16 HN ARG 16 -18.292 -10.976 -21.004 144 HA ARG 16 HA ARG 16 -18.503 -9.842 -23.535 145 HB2 ARG 16 1HB ARG 16 -20.861 -10.825 -21.933 146 HB3 ARG 16 2HB ARG 16 -20.653 -10.852 -23.679 147 HG2 ARG 16 1HG ARG 16 -18.538 -12.343 -22.912 148 HG3 ARG 16 2HG ARG 16 -19.690 -12.721 -21.629 149 HD2 ARG 16 1HD ARG 16 -20.817 -12.734 -24.339 150 HD3 ARG 16 2HD ARG 16 -19.588 -13.964 -24.048 151 HE ARG 16 HE ARG 16 -21.441 -13.948 -21.924 152 HH11 ARG 16 1HH1 ARG 16 -21.168 -14.842 -25.278 153 HH12 ARG 16 2HH1 ARG 16 -22.359 -16.095 -25.176 154 HH21 ARG 16 1HH2 ARG 16 -23.011 -15.596 -21.777 155 HH22 ARG 16 2HH2 ARG 16 -23.408 -16.523 -23.184 156 H ILE 17 HN ILE 17 -20.784 -8.740 -24.124 157 HA ILE 17 HA ILE 17 -20.589 -6.074 -23.411 158 HB ILE 17 HB ILE 17 -23.164 -7.409 -24.239 159 HG12 ILE 17 1HG1 ILE 17 -20.665 -6.841 -25.760 160 HG13 ILE 17 2HG1 ILE 17 -21.810 -8.166 -25.937 161 HG21 ILE 17 1HG2 ILE 17 -23.766 -5.290 -25.142 162 HG22 ILE 17 2HG2 ILE 17 -23.206 -5.016 -23.493 163 HG23 ILE 17 3HG2 ILE 17 -22.151 -4.642 -24.856 164 HD11 ILE 17 3HD1 ILE 17 -23.409 -6.333 -26.817 165 HD12 ILE 17 1HD1 ILE 17 -21.929 -5.403 -27.052 166 HD13 ILE 17 2HD1 ILE 17 -22.135 -6.955 -27.866 167 H LYS 18 HN LYS 18 -22.092 -8.682 -21.720 168 HA LYS 18 HA LYS 18 -24.038 -7.517 -20.198 169 HB2 LYS 18 1HB LYS 18 -22.499 -9.877 -20.076 170 HB3 LYS 18 2HB LYS 18 -22.398 -9.144 -18.481 171 HG2 LYS 18 1HG LYS 18 -24.989 -9.654 -19.922 172 HG3 LYS 18 2HG LYS 18 -24.259 -10.779 -18.775 173 HD2 LYS 18 1HD LYS 18 -25.048 -9.625 -17.041 174 HD3 LYS 18 2HD LYS 18 -24.375 -8.118 -17.668 175 HE2 LYS 18 1HE LYS 18 -26.463 -8.405 -19.329 176 HE3 LYS 18 2HE LYS 18 -27.103 -9.233 -17.910 177 HZ1 LYS 18 3HZ LYS 18 -26.066 -7.011 -16.827 178 HZ2 LYS 18 1HZ LYS 18 -27.685 -7.178 -17.288 179 HZ3 LYS 18 2HZ LYS 18 -26.585 -6.422 -18.326 180 H GLU 19 HN GLU 19 -20.553 -7.537 -19.470 181 HA GLU 19 HA GLU 19 -20.639 -6.106 -17.088 182 HB2 GLU 19 1HB GLU 19 -18.641 -7.007 -18.904 183 HB3 GLU 19 2HB GLU 19 -18.310 -5.321 -18.535 184 HG2 GLU 19 1HG GLU 19 -17.199 -7.020 -17.053 185 HG3 GLU 19 2HG GLU 19 -18.110 -5.753 -16.233 186 H LEU 20 HN LEU 20 -19.978 -4.821 -20.350 187 HA LEU 20 HA LEU 20 -19.934 -2.123 -19.649 188 HB2 LEU 20 1HB LEU 20 -20.523 -3.580 -22.195 189 HB3 LEU 20 2HB LEU 20 -20.682 -1.827 -22.113 190 HG LEU 20 HG LEU 20 -18.547 -2.355 -23.053 191 HD11 LEU 20 1HD1 LEU 20 -17.311 -0.908 -21.818 192 HD12 LEU 20 2HD1 LEU 20 -17.704 -1.696 -20.291 193 HD13 LEU 20 3HD1 LEU 20 -18.878 -0.627 -21.058 194 HD21 LEU 20 3HD2 LEU 20 -18.414 -4.658 -22.128 195 HD22 LEU 20 1HD2 LEU 20 -17.961 -3.964 -20.571 196 HD23 LEU 20 2HD2 LEU 20 -16.913 -3.744 -21.973 197 H LYS 21 HN LYS 21 -22.616 -4.261 -20.359 198 HA LYS 21 HA LYS 21 -24.629 -2.343 -20.722 199 HB2 LYS 21 1HB LYS 21 -24.466 -5.152 -20.560 200 HB3 LYS 21 2HB LYS 21 -25.642 -4.664 -19.348 201 HG2 LYS 21 1HG LYS 21 -25.769 -3.679 -22.179 202 HG3 LYS 21 2HG LYS 21 -26.517 -5.195 -21.669 203 HD2 LYS 21 1HD LYS 21 -28.083 -4.131 -20.350 204 HD3 LYS 21 2HD LYS 21 -27.080 -2.695 -20.135 205 HE2 LYS 21 1HE LYS 21 -28.752 -1.963 -21.573 206 HE3 LYS 21 2HE LYS 21 -27.424 -2.349 -22.667 207 HZ1 LYS 21 3HZ LYS 21 -30.028 -3.520 -22.486 208 HZ2 LYS 21 1HZ LYS 21 -28.804 -4.687 -22.451 209 HZ3 LYS 21 2HZ LYS 21 -28.897 -3.598 -23.742 210 H ASP 22 HN ASP 22 -23.558 -4.027 -17.780 211 HA ASP 22 HA ASP 22 -25.390 -2.807 -16.028 212 HB2 ASP 22 1HB ASP 22 -22.950 -4.429 -15.788 213 HB3 ASP 22 2HB ASP 22 -23.226 -3.336 -14.434 214 H ILE 23 HN ILE 23 -22.123 -1.900 -17.028 215 HA ILE 23 HA ILE 23 -21.834 0.285 -15.259 216 HB ILE 23 HB ILE 23 -20.525 -0.126 -17.950 217 HG12 ILE 23 1HG1 ILE 23 -20.045 -2.018 -16.550 218 HG13 ILE 23 2HG1 ILE 23 -18.620 -0.985 -16.552 219 HG21 ILE 23 1HG2 ILE 23 -19.876 1.995 -17.573 220 HG22 ILE 23 2HG2 ILE 23 -20.257 1.916 -15.854 221 HG23 ILE 23 3HG2 ILE 23 -18.739 1.246 -16.452 222 HD11 ILE 23 3HD1 ILE 23 -19.639 -0.003 -14.387 223 HD12 ILE 23 1HD1 ILE 23 -20.586 -1.490 -14.367 224 HD13 ILE 23 2HD1 ILE 23 -18.824 -1.566 -14.335 225 H LEU 24 HN LEU 24 -22.568 0.259 -18.752 226 HA LEU 24 HA LEU 24 -23.119 2.995 -18.969 227 HB2 LEU 24 1HB LEU 24 -23.188 2.410 -21.102 228 HB3 LEU 24 2HB LEU 24 -23.195 0.710 -20.639 229 HG LEU 24 HG LEU 24 -25.744 2.286 -20.742 230 HD11 LEU 24 1HD1 LEU 24 -24.528 2.532 -22.907 231 HD12 LEU 24 2HD1 LEU 24 -26.070 1.684 -23.027 232 HD13 LEU 24 3HD1 LEU 24 -24.559 0.775 -23.062 233 HD21 LEU 24 3HD2 LEU 24 -24.938 -0.479 -20.333 234 HD22 LEU 24 1HD2 LEU 24 -26.166 -0.300 -21.587 235 HD23 LEU 24 2HD2 LEU 24 -26.466 0.324 -19.965 236 H ASN 25 HN ASN 25 -25.038 0.360 -17.792 237 HA ASN 25 HA ASN 25 -27.581 1.611 -18.044 238 HB2 ASN 25 1HB ASN 25 -27.873 -0.642 -17.761 239 HB3 ASN 25 2HB ASN 25 -26.498 -0.793 -16.670 240 HD21 ASN 25 1HD2 ASN 25 -26.815 -0.701 -14.516 241 HD22 ASN 25 2HD2 ASN 25 -28.362 -0.514 -13.769 242 H GLN 26 HN GLN 26 -25.304 1.251 -15.338 243 HA GLN 26 HA GLN 26 -26.883 2.731 -13.497 244 HB2 GLN 26 1HB GLN 26 -23.924 2.110 -13.466 245 HB3 GLN 26 2HB GLN 26 -24.835 2.761 -12.109 246 HG2 GLN 26 1HG GLN 26 -26.101 0.766 -11.891 247 HG3 GLN 26 2HG GLN 26 -25.481 0.134 -13.416 248 HE21 GLN 26 1HE2 GLN 26 -22.908 0.276 -13.371 249 HE22 GLN 26 2HE2 GLN 26 -22.206 -0.505 -12.000 250 H LEU 27 HN LEU 27 -24.555 3.593 -15.922 251 HA LEU 27 HA LEU 27 -23.929 6.184 -14.941 252 HB2 LEU 27 1HB LEU 27 -22.376 5.415 -16.453 253 HB3 LEU 27 2HB LEU 27 -23.601 4.747 -17.530 254 HG LEU 27 HG LEU 27 -24.177 7.076 -18.210 255 HD11 LEU 27 1HD1 LEU 27 -21.614 8.102 -17.191 256 HD12 LEU 27 2HD1 LEU 27 -22.878 7.864 -15.985 257 HD13 LEU 27 3HD1 LEU 27 -23.172 8.908 -17.375 258 HD21 LEU 27 3HD2 LEU 27 -22.715 6.920 -19.901 259 HD22 LEU 27 1HD2 LEU 27 -22.189 5.437 -19.104 260 HD23 LEU 27 2HD2 LEU 27 -21.318 6.945 -18.824 261 H GLY 28 HN GLY 28 -26.742 4.911 -16.264 262 HA2 GLY 28 2HA GLY 28 -28.721 6.313 -16.229 263 HA3 GLY 28 3HA GLY 28 -27.728 7.634 -16.826 264 H LEU 29 HN LEU 29 -26.977 4.702 -18.320 265 HA LEU 29 HA LEU 29 -27.214 3.966 -20.460 266 HB2 LEU 29 1HB LEU 29 -30.008 4.982 -20.547 267 HB3 LEU 29 2HB LEU 29 -29.350 3.447 -21.111 268 HG LEU 29 HG LEU 29 -29.040 3.226 -18.408 269 HD11 LEU 29 1HD1 LEU 29 -30.391 4.577 -17.290 270 HD12 LEU 29 2HD1 LEU 29 -31.773 3.969 -18.201 271 HD13 LEU 29 3HD1 LEU 29 -30.865 5.358 -18.799 272 HD21 LEU 29 3HD2 LEU 29 -31.465 2.078 -18.781 273 HD22 LEU 29 1HD2 LEU 29 -29.934 1.354 -19.272 274 HD23 LEU 29 2HD2 LEU 29 -30.909 2.236 -20.448 275 HA PRO 30 HA PRO 30 -26.453 8.014 -22.389 276 HB2 PRO 30 1HB PRO 30 -24.525 7.082 -24.058 277 HB3 PRO 30 2HB PRO 30 -24.208 7.524 -22.376 278 HG2 PRO 30 1HG PRO 30 -24.659 4.816 -23.571 279 HG3 PRO 30 2HG PRO 30 -23.461 5.322 -22.364 280 HD2 PRO 30 1HD PRO 30 -25.749 4.036 -21.696 281 HD3 PRO 30 2HD PRO 30 -24.982 5.234 -20.634 282 H LYS 31 HN LYS 31 -26.745 8.776 -24.557 283 HA LYS 31 HA LYS 31 -28.911 7.811 -25.920 284 HB2 LYS 31 1HB LYS 31 -26.542 9.331 -27.022 285 HB3 LYS 31 2HB LYS 31 -28.052 9.093 -27.893 286 HG2 LYS 31 1HG LYS 31 -29.265 10.361 -26.266 287 HG3 LYS 31 2HG LYS 31 -27.846 10.463 -25.220 288 HD2 LYS 31 1HD LYS 31 -27.533 11.464 -27.988 289 HD3 LYS 31 2HD LYS 31 -28.563 12.414 -26.913 290 HE2 LYS 31 1HE LYS 31 -26.543 13.373 -26.457 291 HE3 LYS 31 2HE LYS 31 -26.536 12.083 -25.255 292 HZ1 LYS 31 3HZ LYS 31 -24.575 12.527 -27.041 293 HZ2 LYS 31 1HZ LYS 31 -25.464 11.317 -27.820 294 HZ3 LYS 31 2HZ LYS 31 -24.850 11.049 -26.267 295 H GLN 32 HN GLN 32 -25.560 6.832 -26.245 296 HA GLN 32 HA GLN 32 -26.313 4.382 -27.507 297 HB2 GLN 32 1HB GLN 32 -25.179 4.668 -29.612 298 HB3 GLN 32 2HB GLN 32 -26.367 5.952 -29.435 299 HG2 GLN 32 1HG GLN 32 -23.452 6.292 -28.789 300 HG3 GLN 32 2HG GLN 32 -24.153 6.650 -30.366 301 HE21 GLN 32 1HE2 GLN 32 -23.381 7.879 -27.370 302 HE22 GLN 32 2HE2 GLN 32 -24.310 9.334 -27.428 303 H GLY 33 HN GLY 33 -24.039 3.407 -28.468 304 HA2 GLY 33 2HA GLY 33 -21.569 3.782 -27.719 305 HA3 GLY 33 3HA GLY 33 -22.267 3.501 -26.130 306 H LYS 34 HN LYS 34 -21.178 2.073 -29.066 307 HA LYS 34 HA LYS 34 -22.279 -0.527 -28.630 308 HB2 LYS 34 1HB LYS 34 -19.854 0.139 -30.297 309 HB3 LYS 34 2HB LYS 34 -20.942 -1.231 -30.480 310 HG2 LYS 34 1HG LYS 34 -22.011 -0.045 -32.017 311 HG3 LYS 34 2HG LYS 34 -22.590 0.989 -30.708 312 HD2 LYS 34 1HD LYS 34 -20.236 2.137 -31.041 313 HD3 LYS 34 2HD LYS 34 -20.378 1.433 -32.654 314 HE2 LYS 34 1HE LYS 34 -22.826 2.511 -32.407 315 HE3 LYS 34 2HE LYS 34 -21.912 3.619 -31.385 316 HZ1 LYS 34 3HZ LYS 34 -21.096 4.600 -33.178 317 HZ2 LYS 34 1HZ LYS 34 -22.079 3.625 -34.150 318 HZ3 LYS 34 2HZ LYS 34 -20.502 3.136 -33.783 319 H LYS 35 HN LYS 35 -20.369 -2.356 -28.830 320 HA LYS 35 HA LYS 35 -19.420 -2.747 -26.274 321 HB2 LYS 35 1HB LYS 35 -19.553 -4.521 -27.968 322 HB3 LYS 35 2HB LYS 35 -18.219 -3.787 -28.848 323 HG2 LYS 35 1HG LYS 35 -17.078 -5.386 -27.714 324 HG3 LYS 35 2HG LYS 35 -16.994 -4.085 -26.524 325 HD2 LYS 35 1HD LYS 35 -19.387 -5.315 -25.938 326 HD3 LYS 35 2HD LYS 35 -18.343 -6.666 -26.385 327 HE2 LYS 35 1HE LYS 35 -17.369 -4.561 -24.495 328 HE3 LYS 35 2HE LYS 35 -18.413 -5.858 -23.917 329 HZ1 LYS 35 3HZ LYS 35 -16.829 -7.453 -24.375 330 HZ2 LYS 35 1HZ LYS 35 -15.876 -6.165 -23.829 331 HZ3 LYS 35 2HZ LYS 35 -15.999 -6.484 -25.485 332 H GLN 36 HN GLN 36 -17.718 -1.314 -29.035 333 HA GLN 36 HA GLN 36 -15.275 -0.911 -27.627 334 HB2 GLN 36 1HB GLN 36 -15.056 -1.002 -29.959 335 HB3 GLN 36 2HB GLN 36 -16.393 0.109 -30.221 336 HG2 GLN 36 1HG GLN 36 -14.051 0.982 -30.648 337 HG3 GLN 36 2HG GLN 36 -15.112 1.973 -29.649 338 HE21 GLN 36 1HE2 GLN 36 -13.426 -0.948 -28.669 339 HE22 GLN 36 2HE2 GLN 36 -12.402 -0.189 -27.502 340 H ASP 37 HN ASP 37 -17.880 1.308 -28.616 341 HA ASP 37 HA ASP 37 -16.902 3.650 -27.533 342 HB2 ASP 37 1HB ASP 37 -19.434 2.689 -28.496 343 HB3 ASP 37 2HB ASP 37 -19.686 3.665 -27.051 344 H LEU 38 HN LEU 38 -18.913 1.191 -25.938 345 HA LEU 38 HA LEU 38 -19.107 2.483 -23.452 346 HB2 LEU 38 1HB LEU 38 -19.128 -0.480 -24.000 347 HB3 LEU 38 2HB LEU 38 -19.761 0.322 -22.564 348 HG LEU 38 HG LEU 38 -20.909 1.098 -25.192 349 HD11 LEU 38 1HD1 LEU 38 -21.677 -0.903 -25.747 350 HD12 LEU 38 2HD1 LEU 38 -22.399 -1.097 -24.150 351 HD13 LEU 38 3HD1 LEU 38 -20.737 -1.615 -24.435 352 HD21 LEU 38 3HD2 LEU 38 -21.446 1.792 -22.645 353 HD22 LEU 38 1HD2 LEU 38 -22.558 0.437 -22.840 354 HD23 LEU 38 2HD2 LEU 38 -22.644 1.813 -23.940 355 H ILE 39 HN ILE 39 -16.895 -0.094 -24.527 356 HA ILE 39 HA ILE 39 -15.420 -0.426 -22.226 357 HB ILE 39 HB ILE 39 -14.776 -0.732 -25.119 358 HG12 ILE 39 1HG1 ILE 39 -14.291 -2.743 -22.953 359 HG13 ILE 39 2HG1 ILE 39 -15.944 -2.399 -23.452 360 HG21 ILE 39 1HG2 ILE 39 -12.765 -0.584 -22.910 361 HG22 ILE 39 2HG2 ILE 39 -12.499 -1.646 -24.291 362 HG23 ILE 39 3HG2 ILE 39 -12.689 0.089 -24.537 363 HD11 ILE 39 3HD1 ILE 39 -14.989 -2.823 -25.845 364 HD12 ILE 39 1HD1 ILE 39 -13.737 -3.697 -24.963 365 HD13 ILE 39 2HD1 ILE 39 -15.428 -4.171 -24.797 366 H ASP 40 HN ASP 40 -14.746 1.857 -24.877 367 HA ASP 40 HA ASP 40 -12.499 3.056 -23.687 368 HB2 ASP 40 1HB ASP 40 -13.823 3.291 -26.102 369 HB3 ASP 40 2HB ASP 40 -14.084 4.863 -25.351 370 H ARG 41 HN ARG 41 -15.937 3.687 -23.387 371 HA ARG 41 HA ARG 41 -15.742 6.181 -22.074 372 HB2 ARG 41 1HB ARG 41 -17.856 4.119 -22.436 373 HB3 ARG 41 2HB ARG 41 -18.079 5.289 -21.143 374 HG2 ARG 41 1HG ARG 41 -17.599 5.982 -24.033 375 HG3 ARG 41 2HG ARG 41 -19.175 5.957 -23.238 376 HD2 ARG 41 1HD ARG 41 -17.965 7.565 -21.540 377 HD3 ARG 41 2HD ARG 41 -16.908 7.863 -22.919 378 HE ARG 41 HE ARG 41 -19.693 8.085 -23.563 379 HH11 ARG 41 1HH1 ARG 41 -16.932 9.757 -22.259 380 HH12 ARG 41 2HH1 ARG 41 -17.534 11.332 -22.658 381 HH21 ARG 41 1HH2 ARG 41 -20.496 10.153 -24.093 382 HH22 ARG 41 2HH2 ARG 41 -19.562 11.556 -23.700 383 H VAL 42 HN VAL 42 -15.980 2.857 -20.862 384 HA VAL 42 HA VAL 42 -16.128 3.466 -18.129 385 HB VAL 42 HB VAL 42 -15.078 1.034 -19.566 386 HG11 VAL 42 1HG1 VAL 42 -13.960 0.662 -17.631 387 HG12 VAL 42 2HG1 VAL 42 -15.010 1.724 -16.691 388 HG13 VAL 42 3HG1 VAL 42 -15.545 0.095 -17.105 389 HG21 VAL 42 3HG2 VAL 42 -17.682 1.960 -18.616 390 HG22 VAL 42 1HG2 VAL 42 -17.283 0.737 -19.823 391 HG23 VAL 42 2HG2 VAL 42 -17.285 0.318 -18.110 392 H LEU 43 HN LEU 43 -13.280 2.419 -20.010 393 HA LEU 43 HA LEU 43 -11.370 2.726 -18.034 394 HB2 LEU 43 1HB LEU 43 -10.930 3.347 -20.946 395 HB3 LEU 43 2HB LEU 43 -9.733 2.799 -19.774 396 HG LEU 43 HG LEU 43 -11.923 1.220 -21.092 397 HD11 LEU 43 1HD1 LEU 43 -9.495 1.593 -21.991 398 HD12 LEU 43 2HD1 LEU 43 -10.238 -0.005 -22.053 399 HD13 LEU 43 3HD1 LEU 43 -9.081 0.381 -20.779 400 HD21 LEU 43 3HD2 LEU 43 -12.182 0.442 -18.930 401 HD22 LEU 43 1HD2 LEU 43 -10.482 0.684 -18.528 402 HD23 LEU 43 2HD2 LEU 43 -10.959 -0.653 -19.575 403 H ALA 44 HN ALA 44 -12.679 5.136 -20.260 404 HA ALA 44 HA ALA 44 -10.915 7.229 -19.503 405 HB1 ALA 44 1HB ALA 44 -11.906 7.584 -21.560 406 HB2 ALA 44 2HB ALA 44 -13.505 7.104 -20.990 407 HB3 ALA 44 3HB ALA 44 -12.830 8.662 -20.512 408 H LEU 45 HN LEU 45 -13.879 5.978 -18.183 409 HA LEU 45 HA LEU 45 -14.447 8.276 -16.555 410 HB2 LEU 45 1HB LEU 45 -16.424 7.280 -16.528 411 HB3 LEU 45 2HB LEU 45 -15.738 5.830 -17.258 412 HG LEU 45 HG LEU 45 -15.071 5.164 -14.881 413 HD11 LEU 45 1HD1 LEU 45 -17.285 6.618 -13.726 414 HD12 LEU 45 2HD1 LEU 45 -16.023 7.705 -14.303 415 HD13 LEU 45 3HD1 LEU 45 -15.630 6.434 -13.146 416 HD21 LEU 45 3HD2 LEU 45 -18.016 5.332 -15.503 417 HD22 LEU 45 1HD2 LEU 45 -17.208 4.147 -14.476 418 HD23 LEU 45 2HD2 LEU 45 -16.909 4.157 -16.215 419 H LEU 46 HN LEU 46 -13.025 5.074 -16.021 420 HA LEU 46 HA LEU 46 -12.563 5.559 -13.226 421 HB2 LEU 46 1HB LEU 46 -11.242 3.425 -14.868 422 HB3 LEU 46 2HB LEU 46 -11.622 3.410 -13.147 423 HG LEU 46 HG LEU 46 -13.657 3.267 -15.371 424 HD11 LEU 46 1HD1 LEU 46 -13.293 1.086 -15.478 425 HD12 LEU 46 2HD1 LEU 46 -13.540 0.934 -13.739 426 HD13 LEU 46 3HD1 LEU 46 -11.930 1.270 -14.374 427 HD21 LEU 46 3HD2 LEU 46 -14.438 2.356 -12.731 428 HD22 LEU 46 1HD2 LEU 46 -15.245 3.480 -13.825 429 HD23 LEU 46 2HD2 LEU 46 -13.980 4.060 -12.741 430 H THR 47 HN THR 47 -10.992 6.414 -16.094 431 HA THR 47 HA THR 47 -8.401 6.726 -14.743 432 HB THR 47 HB THR 47 -9.062 6.934 -17.688 433 HG1 THR 47 1HG THR 47 -9.124 4.786 -16.870 434 HG21 THR 47 3HG2 THR 47 -7.194 8.272 -17.497 435 HG22 THR 47 1HG2 THR 47 -6.450 6.691 -17.735 436 HG23 THR 47 2HG2 THR 47 -6.563 7.379 -16.114 437 H ASP 48 HN ASP 48 -10.207 8.563 -17.212 438 HA ASP 48 HA ASP 48 -9.049 11.042 -16.419 439 HB2 ASP 48 1HB ASP 48 -10.773 10.080 -18.529 440 HB3 ASP 48 2HB ASP 48 -11.384 11.598 -17.877 441 H GLU 49 HN GLU 49 -11.566 9.185 -15.158 442 HA GLU 49 HA GLU 49 -12.509 11.487 -13.591 443 HB2 GLU 49 1HB GLU 49 -14.053 9.793 -15.363 444 HB3 GLU 49 2HB GLU 49 -14.664 9.708 -13.716 445 HG2 GLU 49 1HG GLU 49 -15.325 11.885 -13.695 446 HG3 GLU 49 2HG GLU 49 -14.084 12.389 -14.841 447 H GLN 50 HN GLN 50 -10.548 9.314 -13.094 448 HA GLN 50 HA GLN 50 -11.457 7.291 -11.463 449 HB2 GLN 50 1HB GLN 50 -9.256 7.161 -10.557 450 HB3 GLN 50 2HB GLN 50 -9.091 7.672 -12.231 451 HG2 GLN 50 1HG GLN 50 -9.236 9.773 -10.142 452 HG3 GLN 50 2HG GLN 50 -7.754 8.828 -10.274 453 HE21 GLN 50 1HE2 GLN 50 -9.786 11.194 -11.755 454 HE22 GLN 50 2HE2 GLN 50 -8.706 11.635 -13.028 455 H GLY 51 HN GLY 51 -11.342 10.686 -10.826 456 HA2 GLY 51 2HA GLY 51 -12.180 11.915 -9.074 457 HA3 GLY 51 3HA GLY 51 -12.925 10.436 -8.485 458 H GLN 52 HN GLN 52 -9.503 11.267 -8.958 459 HA GLN 52 HA GLN 52 -8.589 10.019 -6.653 460 HB2 GLN 52 1HB GLN 52 -7.511 11.854 -8.640 461 HB3 GLN 52 2HB GLN 52 -6.820 12.123 -7.045 462 HG2 GLN 52 1HG GLN 52 -6.952 9.401 -8.298 463 HG3 GLN 52 2HG GLN 52 -5.608 10.508 -8.572 464 HE21 GLN 52 1HE2 GLN 52 -5.007 11.575 -6.273 465 HE22 GLN 52 2HE2 GLN 52 -4.631 10.394 -5.071 466 H ARG 53 HN ARG 53 -10.134 13.084 -7.050 467 HA ARG 53 HA ARG 53 -10.530 13.421 -4.274 468 HB2 ARG 53 1HB ARG 53 -9.243 15.635 -4.142 469 HB3 ARG 53 2HB ARG 53 -8.312 14.147 -4.034 470 HG2 ARG 53 1HG ARG 53 -7.129 14.648 -5.846 471 HG3 ARG 53 2HG ARG 53 -8.575 15.061 -6.769 472 HD2 ARG 53 1HD ARG 53 -7.634 16.957 -4.678 473 HD3 ARG 53 2HD ARG 53 -6.736 16.867 -6.193 474 HE ARG 53 HE ARG 53 -9.391 17.112 -6.895 475 HH11 ARG 53 1HH1 ARG 53 -7.055 18.967 -5.100 476 HH12 ARG 53 2HH1 ARG 53 -7.773 20.494 -5.492 477 HH21 ARG 53 1HH2 ARG 53 -10.346 19.116 -7.418 478 HH22 ARG 53 2HH2 ARG 53 -9.645 20.578 -6.809 479 H HIS 54 HN HIS 54 -12.559 13.422 -5.653 480 HA HIS 54 HA HIS 54 -13.724 15.960 -5.620 481 HB2 HIS 54 1HB HIS 54 -12.134 15.686 -7.864 482 HB3 HIS 54 2HB HIS 54 -13.739 15.276 -8.463 483 HD1 HIS 54 1HD HIS 54 -14.295 17.358 -9.739 484 HD2 HIS 54 2HD HIS 54 -12.999 18.159 -5.874 485 HE1 HIS 54 1HE HIS 54 -14.677 19.820 -9.399 486 H HIS 55 HN HIS 55 -13.745 12.821 -7.259 487 HA HIS 55 HA HIS 55 -16.506 12.437 -6.411 488 HB2 HIS 55 1HB HIS 55 -17.050 11.548 -8.744 489 HB3 HIS 55 2HB HIS 55 -16.941 13.297 -8.570 490 HD1 HIS 55 1HD HIS 55 -14.977 14.486 -9.745 491 HD2 HIS 55 2HD HIS 55 -15.056 10.373 -10.324 492 HE1 HIS 55 1HE HIS 55 -13.347 14.038 -11.607 493 H GLY 56 HN GLY 56 -15.156 11.028 -4.990 494 HA2 GLY 56 2HA GLY 56 -14.635 8.447 -6.334 495 HA3 GLY 56 3HA GLY 56 -13.628 9.051 -5.026 496 H TRP 57 HN TRP 57 -17.071 8.397 -5.685 497 HA TRP 57 HA TRP 57 -17.250 7.250 -2.976 498 HB2 TRP 57 1HB TRP 57 -19.823 7.986 -4.072 499 HB3 TRP 57 2HB TRP 57 -19.066 8.492 -2.564 500 HD1 TRP 57 HD TRP 57 -17.615 10.773 -2.629 501 HE1 TRP 57 1HE TRP 57 -17.720 12.798 -4.214 502 HE3 TRP 57 3HE TRP 57 -20.263 8.667 -6.462 503 HZ2 TRP 57 2HZ TRP 57 -18.784 13.421 -6.753 504 HZ3 TRP 57 3HZ TRP 57 -20.783 10.046 -8.432 505 HH2 TRP 57 HH TRP 57 -20.059 12.373 -8.572 506 H GLY 58 HN GLY 58 -19.266 7.166 -5.920 507 HA2 GLY 58 2HA GLY 58 -19.663 5.293 -7.292 508 HA3 GLY 58 3HA GLY 58 -18.887 4.275 -6.088 509 H ARG 59 HN ARG 59 -20.405 5.253 -3.848 510 HA ARG 59 HA ARG 59 -22.802 3.675 -4.271 511 HB2 ARG 59 1HB ARG 59 -23.119 4.024 -1.807 512 HB3 ARG 59 2HB ARG 59 -21.612 3.231 -2.245 513 HG2 ARG 59 1HG ARG 59 -20.357 5.205 -1.846 514 HG3 ARG 59 2HG ARG 59 -21.821 6.178 -1.693 515 HD2 ARG 59 1HD ARG 59 -21.044 5.798 0.508 516 HD3 ARG 59 2HD ARG 59 -22.430 4.732 0.282 517 HE ARG 59 HE ARG 59 -20.350 3.149 -0.372 518 HH11 ARG 59 1HH1 ARG 59 -21.004 5.184 2.375 519 HH12 ARG 59 2HH1 ARG 59 -20.105 4.201 3.483 520 HH21 ARG 59 1HH2 ARG 59 -19.163 1.846 1.076 521 HH22 ARG 59 2HH2 ARG 59 -19.058 2.303 2.743 522 H LYS 60 HN LYS 60 -22.204 6.631 -5.154 523 HA LYS 60 HA LYS 60 -24.500 7.963 -3.945 524 HB2 LYS 60 1HB LYS 60 -22.401 8.935 -5.891 525 HB3 LYS 60 2HB LYS 60 -23.724 9.926 -5.290 526 HG2 LYS 60 1HG LYS 60 -21.752 8.599 -3.456 527 HG3 LYS 60 2HG LYS 60 -21.477 10.197 -4.154 528 HD2 LYS 60 1HD LYS 60 -22.576 10.979 -2.368 529 HD3 LYS 60 2HD LYS 60 -24.034 10.400 -3.176 530 HE2 LYS 60 1HE LYS 60 -22.960 8.159 -1.905 531 HE3 LYS 60 2HE LYS 60 -22.783 9.475 -0.744 532 HZ1 LYS 60 3HZ LYS 60 -24.969 9.540 -0.391 533 HZ2 LYS 60 1HZ LYS 60 -25.035 8.027 -1.146 534 HZ3 LYS 60 2HZ LYS 60 -25.348 9.431 -2.036 535 H ASN 61 HN ASN 61 -23.430 6.671 -7.037 536 HA ASN 61 HA ASN 61 -26.150 6.463 -7.942 537 HB2 ASN 61 1HB ASN 61 -24.848 7.767 -10.112 538 HB3 ASN 61 2HB ASN 61 -26.265 8.299 -9.212 539 HD21 ASN 61 1HD2 ASN 61 -22.794 8.017 -8.517 540 HD22 ASN 61 2HD2 ASN 61 -22.608 9.634 -7.937 541 H SER 62 HN SER 62 -23.575 4.920 -7.466 542 HA SER 62 HA SER 62 -22.319 3.275 -8.446 543 HB2 SER 62 1HB SER 62 -23.778 1.793 -9.997 544 HB3 SER 62 2HB SER 62 -24.254 1.959 -8.307 545 HG SER 62 HG SER 62 -25.930 3.181 -8.878 546 H LEU 63 HN LEU 63 -21.808 5.698 -9.652 547 HA LEU 63 HA LEU 63 -21.399 4.897 -12.455 548 HB2 LEU 63 1HB LEU 63 -21.451 7.398 -12.938 549 HB3 LEU 63 2HB LEU 63 -22.987 6.591 -12.634 550 HG LEU 63 HG LEU 63 -22.923 7.471 -10.308 551 HD11 LEU 63 1HD1 LEU 63 -20.314 8.449 -11.257 552 HD12 LEU 63 2HD1 LEU 63 -20.854 8.041 -9.629 553 HD13 LEU 63 3HD1 LEU 63 -21.275 9.603 -10.331 554 HD21 LEU 63 3HD2 LEU 63 -24.243 8.621 -11.951 555 HD22 LEU 63 1HD2 LEU 63 -22.822 9.465 -12.567 556 HD23 LEU 63 2HD2 LEU 63 -23.424 9.820 -10.948 557 H THR 64 HN THR 64 -19.869 5.196 -9.681 558 HA THR 64 HA THR 64 -17.512 6.575 -10.775 559 HB THR 64 HB THR 64 -17.514 5.767 -7.928 560 HG1 THR 64 1HG THR 64 -19.008 8.054 -8.674 561 HG21 THR 64 3HG2 THR 64 -15.775 7.162 -8.086 562 HG22 THR 64 1HG2 THR 64 -16.946 8.475 -8.198 563 HG23 THR 64 2HG2 THR 64 -16.298 7.744 -9.666 564 H LYS 65 HN LYS 65 -15.422 5.604 -9.607 565 HA LYS 65 HA LYS 65 -14.829 3.204 -10.831 566 HB2 LYS 65 1HB LYS 65 -12.912 3.070 -9.210 567 HB3 LYS 65 2HB LYS 65 -13.049 4.599 -10.068 568 HG2 LYS 65 1HG LYS 65 -14.271 5.479 -8.038 569 HG3 LYS 65 2HG LYS 65 -13.758 4.008 -7.210 570 HD2 LYS 65 1HD LYS 65 -11.481 4.573 -7.392 571 HD3 LYS 65 2HD LYS 65 -11.802 5.812 -8.608 572 HE2 LYS 65 1HE LYS 65 -13.002 7.130 -6.905 573 HE3 LYS 65 2HE LYS 65 -12.606 5.906 -5.701 574 HZ1 LYS 65 3HZ LYS 65 -11.043 7.677 -5.522 575 HZ2 LYS 65 1HZ LYS 65 -10.701 7.636 -7.179 576 HZ3 LYS 65 2HZ LYS 65 -10.231 6.349 -6.187 577 H GLU 66 HN GLU 66 -15.863 3.749 -7.477 578 HA GLU 66 HA GLU 66 -15.667 1.177 -6.497 579 HB2 GLU 66 1HB GLU 66 -16.834 3.599 -5.660 580 HB3 GLU 66 2HB GLU 66 -18.105 2.389 -5.553 581 HG2 GLU 66 1HG GLU 66 -16.331 0.972 -4.324 582 HG3 GLU 66 2HG GLU 66 -15.489 2.507 -4.116 583 H ALA 67 HN ALA 67 -18.274 2.624 -8.396 584 HA ALA 67 HA ALA 67 -20.033 0.407 -8.251 585 HB1 ALA 67 1HB ALA 67 -21.430 1.640 -9.527 586 HB2 ALA 67 2HB ALA 67 -20.319 2.939 -9.091 587 HB3 ALA 67 3HB ALA 67 -20.157 2.126 -10.647 588 H VAL 68 HN VAL 68 -17.864 1.510 -10.861 589 HA VAL 68 HA VAL 68 -18.294 -0.555 -12.654 590 HB VAL 68 HB VAL 68 -15.717 0.936 -12.140 591 HG11 VAL 68 1HG1 VAL 68 -15.000 -0.838 -13.421 592 HG12 VAL 68 2HG1 VAL 68 -16.544 -0.995 -14.260 593 HG13 VAL 68 3HG1 VAL 68 -15.449 0.327 -14.666 594 HG21 VAL 68 3HG2 VAL 68 -16.596 2.094 -14.315 595 HG22 VAL 68 1HG2 VAL 68 -18.162 1.511 -13.751 596 HG23 VAL 68 2HG2 VAL 68 -17.205 2.590 -12.736 597 H ALA 69 HN ALA 69 -15.893 -0.370 -10.039 598 HA ALA 69 HA ALA 69 -14.785 -2.940 -10.537 599 HB1 ALA 69 1HB ALA 69 -14.658 -1.673 -7.840 600 HB2 ALA 69 2HB ALA 69 -13.416 -2.553 -8.732 601 HB3 ALA 69 3HB ALA 69 -13.836 -0.905 -9.199 602 H LYS 70 HN LYS 70 -17.495 -1.785 -8.681 603 HA LYS 70 HA LYS 70 -17.840 -4.008 -6.983 604 HB2 LYS 70 1HB LYS 70 -18.987 -1.951 -6.502 605 HB3 LYS 70 2HB LYS 70 -19.812 -1.987 -8.055 606 HG2 LYS 70 1HG LYS 70 -21.128 -3.869 -7.384 607 HG3 LYS 70 2HG LYS 70 -20.203 -4.042 -5.891 608 HD2 LYS 70 1HD LYS 70 -21.119 -1.393 -5.922 609 HD3 LYS 70 2HD LYS 70 -22.486 -2.381 -6.443 610 HE2 LYS 70 1HE LYS 70 -22.088 -3.839 -4.456 611 HE3 LYS 70 2HE LYS 70 -20.869 -2.685 -3.916 612 HZ1 LYS 70 3HZ LYS 70 -23.730 -2.530 -3.753 613 HZ2 LYS 70 1HZ LYS 70 -23.035 -1.128 -4.397 614 HZ3 LYS 70 2HZ LYS 70 -22.552 -1.690 -2.877 615 H ILE 71 HN ILE 71 -19.377 -3.207 -10.095 616 HA ILE 71 HA ILE 71 -20.837 -5.623 -10.289 617 HB ILE 71 HB ILE 71 -19.950 -3.959 -12.637 618 HG12 ILE 71 1HG1 ILE 71 -20.842 -2.415 -10.995 619 HG13 ILE 71 2HG1 ILE 71 -22.025 -2.634 -12.280 620 HG21 ILE 71 1HG2 ILE 71 -21.530 -6.252 -12.399 621 HG22 ILE 71 2HG2 ILE 71 -22.658 -4.925 -12.672 622 HG23 ILE 71 3HG2 ILE 71 -21.349 -5.218 -13.816 623 HD11 ILE 71 3HD1 ILE 71 -22.281 -3.093 -9.461 624 HD12 ILE 71 1HD1 ILE 71 -23.522 -3.070 -10.714 625 HD13 ILE 71 2HD1 ILE 71 -22.648 -4.562 -10.365 626 H VAL 72 HN VAL 72 -17.851 -4.556 -11.921 627 HA VAL 72 HA VAL 72 -17.308 -6.868 -13.344 628 HB VAL 72 HB VAL 72 -15.299 -5.006 -12.069 629 HG11 VAL 72 1HG1 VAL 72 -14.972 -6.888 -14.404 630 HG12 VAL 72 2HG1 VAL 72 -13.743 -5.804 -13.749 631 HG13 VAL 72 3HG1 VAL 72 -14.334 -7.156 -12.782 632 HG21 VAL 72 3HG2 VAL 72 -17.215 -4.423 -13.974 633 HG22 VAL 72 1HG2 VAL 72 -15.741 -3.506 -13.661 634 HG23 VAL 72 2HG2 VAL 72 -15.763 -4.737 -14.924 635 H ASP 73 HN ASP 73 -16.542 -6.076 -9.990 636 HA ASP 73 HA ASP 73 -14.921 -8.317 -9.453 637 HB2 ASP 73 1HB ASP 73 -14.992 -6.337 -7.995 638 HB3 ASP 73 2HB ASP 73 -16.652 -6.723 -7.550 639 H ASP 74 HN ASP 74 -18.388 -7.754 -8.897 640 HA ASP 74 HA ASP 74 -18.995 -10.218 -7.741 641 HB2 ASP 74 1HB ASP 74 -20.633 -8.269 -9.347 642 HB3 ASP 74 2HB ASP 74 -21.331 -9.762 -8.726 643 H THR 75 HN THR 75 -18.929 -9.250 -11.145 644 HA THR 75 HA THR 75 -19.946 -11.620 -12.240 645 HB THR 75 HB THR 75 -17.906 -10.437 -13.930 646 HG1 THR 75 1HG THR 75 -19.944 -8.617 -13.235 647 HG21 THR 75 3HG2 THR 75 -20.653 -9.873 -14.639 648 HG22 THR 75 1HG2 THR 75 -20.448 -11.557 -14.161 649 HG23 THR 75 2HG2 THR 75 -19.467 -10.884 -15.463 650 H TYR 76 HN TYR 76 -16.560 -10.605 -11.785 651 HA TYR 76 HA TYR 76 -15.406 -12.991 -12.727 652 HB2 TYR 76 1HB TYR 76 -14.460 -10.540 -11.883 653 HB3 TYR 76 2HB TYR 76 -13.865 -11.636 -10.641 654 HD1 TYR 76 2HD TYR 76 -13.492 -14.075 -12.402 655 HD2 TYR 76 1HD TYR 76 -12.425 -9.994 -12.954 656 HE1 TYR 76 2HE TYR 76 -11.654 -14.762 -13.885 657 HE2 TYR 76 1HE TYR 76 -10.585 -10.669 -14.440 658 HH TYR 76 HH TYR 76 -10.309 -13.221 -15.982 659 H ARG 77 HN ARG 77 -16.190 -11.911 -9.436 660 HA ARG 77 HA ARG 77 -15.161 -14.045 -8.004 661 HB2 ARG 77 1HB ARG 77 -16.554 -11.805 -7.358 662 HB3 ARG 77 2HB ARG 77 -17.774 -13.038 -7.070 663 HG2 ARG 77 1HG ARG 77 -16.859 -13.479 -5.108 664 HG3 ARG 77 2HG ARG 77 -15.359 -13.946 -5.912 665 HD2 ARG 77 1HD ARG 77 -16.146 -11.197 -4.959 666 HD3 ARG 77 2HD ARG 77 -14.870 -12.227 -4.310 667 HE ARG 77 HE ARG 77 -14.535 -11.577 -7.091 668 HH11 ARG 77 1HH1 ARG 77 -13.944 -10.555 -3.816 669 HH12 ARG 77 2HH1 ARG 77 -12.589 -9.559 -4.233 670 HH21 ARG 77 1HH2 ARG 77 -12.752 -10.269 -7.653 671 HH22 ARG 77 2HH2 ARG 77 -11.913 -9.396 -6.416 672 H LYS 78 HN LYS 78 -18.308 -13.738 -9.595 673 HA LYS 78 HA LYS 78 -19.189 -16.339 -8.736 674 HB2 LYS 78 1HB LYS 78 -20.728 -14.410 -9.191 675 HB3 LYS 78 2HB LYS 78 -20.359 -14.587 -10.902 676 HG2 LYS 78 1HG LYS 78 -21.114 -17.134 -10.008 677 HG3 LYS 78 2HG LYS 78 -22.264 -15.999 -9.297 678 HD2 LYS 78 1HD LYS 78 -23.254 -16.448 -11.331 679 HD3 LYS 78 2HD LYS 78 -22.326 -14.995 -11.706 680 HE2 LYS 78 1HE LYS 78 -20.714 -16.178 -12.885 681 HE3 LYS 78 2HE LYS 78 -21.116 -17.704 -12.098 682 HZ1 LYS 78 3HZ LYS 78 -23.325 -16.648 -13.562 683 HZ2 LYS 78 1HZ LYS 78 -22.593 -18.170 -13.670 684 HZ3 LYS 78 2HZ LYS 78 -21.975 -16.869 -14.557 685 H MET 79 HN MET 79 -17.481 -15.021 -11.447 686 HA MET 79 HA MET 79 -17.981 -17.054 -13.332 687 HB2 MET 79 1HB MET 79 -16.922 -14.778 -13.742 688 HB3 MET 79 2HB MET 79 -15.427 -15.465 -13.121 689 HG2 MET 79 1HG MET 79 -16.168 -17.311 -14.989 690 HG3 MET 79 2HG MET 79 -16.718 -15.802 -15.715 691 HE1 MET 79 3HE MET 79 -13.635 -13.926 -16.686 692 HE2 MET 79 1HE MET 79 -15.358 -14.229 -16.910 693 HE3 MET 79 2HE MET 79 -14.775 -13.536 -15.397 694 H GLN 80 HN GLN 80 -15.140 -16.564 -11.227 695 HA GLN 80 HA GLN 80 -14.930 -19.275 -10.498 696 HB2 GLN 80 1HB GLN 80 -13.947 -18.744 -13.077 697 HB3 GLN 80 2HB GLN 80 -12.528 -18.891 -12.049 698 HG2 GLN 80 1HG GLN 80 -12.710 -21.080 -12.366 699 HG3 GLN 80 2HG GLN 80 -14.077 -21.012 -11.255 700 HE21 GLN 80 1HE2 GLN 80 -13.487 -20.222 -14.669 701 HE22 GLN 80 2HE2 GLN 80 -14.868 -21.063 -15.277 702 H ILE 81 HN ILE 81 -14.687 -16.477 -9.521 703 HA ILE 81 HA ILE 81 -13.413 -15.210 -8.111 704 HB ILE 81 HB ILE 81 -12.148 -17.773 -7.188 705 HG12 ILE 81 1HG1 ILE 81 -14.955 -16.808 -6.599 706 HG13 ILE 81 2HG1 ILE 81 -14.523 -18.258 -7.498 707 HG21 ILE 81 1HG2 ILE 81 -13.207 -15.837 -5.264 708 HG22 ILE 81 2HG2 ILE 81 -11.642 -16.648 -5.316 709 HG23 ILE 81 3HG2 ILE 81 -11.923 -15.210 -6.298 710 HD11 ILE 81 3HD1 ILE 81 -15.094 -19.031 -5.382 711 HD12 ILE 81 1HD1 ILE 81 -13.331 -18.997 -5.363 712 HD13 ILE 81 2HD1 ILE 81 -14.247 -17.715 -4.570 713 H GLN 82 HN GLN 82 -12.255 -15.807 -10.746 714 HA GLN 82 HA GLN 82 -9.402 -16.022 -10.246 715 HB2 GLN 82 1HB GLN 82 -11.149 -16.450 -12.488 716 HB3 GLN 82 2HB GLN 82 -9.871 -15.331 -12.943 717 HG2 GLN 82 1HG GLN 82 -9.392 -17.750 -13.370 718 HG3 GLN 82 2HG GLN 82 -8.182 -16.895 -12.415 719 HE21 GLN 82 1HE2 GLN 82 -7.721 -17.587 -10.406 720 HE22 GLN 82 2HE2 GLN 82 -8.484 -18.931 -9.634 721 H CYS 83 HN CYS 83 -7.882 -14.419 -10.900 722 HA CYS 83 HA CYS 83 -7.053 -12.299 -10.799 723 HB2 CYS 83 1HB CYS 83 -8.587 -12.509 -13.040 724 HB3 CYS 83 2HB CYS 83 -9.329 -11.119 -12.258 725 HG CYS 83 HG CYS 83 -6.377 -10.245 -11.958 726 H ALA 84 HN ALA 84 -8.491 -12.964 -8.539 727 HA ALA 84 HA ALA 84 -9.955 -10.489 -7.900 728 HB1 ALA 84 1HB ALA 84 -10.221 -13.293 -6.889 729 HB2 ALA 84 2HB ALA 84 -10.779 -11.930 -5.917 730 HB3 ALA 84 3HB ALA 84 -11.462 -12.209 -7.519 731 HA PRO 85 HA PRO 85 -5.937 -10.304 -5.575 732 HB2 PRO 85 1HB PRO 85 -5.476 -7.684 -6.115 733 HB3 PRO 85 2HB PRO 85 -4.975 -8.990 -7.195 734 HG2 PRO 85 1HG PRO 85 -7.376 -7.210 -7.363 735 HG3 PRO 85 2HG PRO 85 -6.281 -7.736 -8.655 736 HD2 PRO 85 1HD PRO 85 -8.702 -8.876 -8.243 737 HD3 PRO 85 2HD PRO 85 -7.310 -9.787 -8.864 738 H ASP 86 HN ASP 86 -9.019 -8.960 -5.385 739 HA ASP 86 HA ASP 86 -10.221 -8.088 -3.659 740 HB2 ASP 86 1HB ASP 86 -8.801 -9.787 -2.357 741 HB3 ASP 86 2HB ASP 86 -7.809 -8.411 -1.882 742 H LEU 87 HN LEU 87 -10.148 -6.070 -4.792 743 HA LEU 87 HA LEU 87 -8.206 -4.120 -4.622 744 HB2 LEU 87 1HB LEU 87 -11.175 -3.610 -4.603 745 HB3 LEU 87 2HB LEU 87 -9.914 -2.520 -5.175 746 HG LEU 87 HG LEU 87 -9.698 -4.928 -6.655 747 HD11 LEU 87 1HD1 LEU 87 -11.940 -5.517 -6.116 748 HD12 LEU 87 2HD1 LEU 87 -11.944 -4.874 -7.757 749 HD13 LEU 87 3HD1 LEU 87 -12.509 -3.875 -6.418 750 HD21 LEU 87 3HD2 LEU 87 -10.053 -3.473 -8.529 751 HD22 LEU 87 1HD2 LEU 87 -9.087 -2.613 -7.329 752 HD23 LEU 87 2HD2 LEU 87 -10.806 -2.254 -7.499 753 H ALA 88 HN ALA 88 -10.427 -5.188 -2.198 754 HA ALA 88 HA ALA 88 -10.625 -4.691 0.016 755 HB1 ALA 88 1HB ALA 88 -8.798 -3.745 1.176 756 HB2 ALA 88 2HB ALA 88 -8.103 -4.673 -0.154 757 HB3 ALA 88 3HB ALA 88 -8.214 -2.916 -0.267 758 H THR 89 HN THR 89 -11.932 -3.091 -2.030 759 HA THR 89 HA THR 89 -13.153 -1.181 -2.272 760 HB THR 89 HB THR 89 -12.945 -0.770 0.699 761 HG1 THR 89 1HG THR 89 -14.530 -2.373 0.947 762 HG21 THR 89 3HG2 THR 89 -14.550 0.714 0.271 763 HG22 THR 89 1HG2 THR 89 -15.584 -0.603 -0.280 764 HG23 THR 89 2HG2 THR 89 -14.563 0.257 -1.432 765 H ARG 90 HN ARG 90 -10.206 -0.971 -2.291 766 HA ARG 90 HA ARG 90 -8.597 0.630 -2.440 767 HB2 ARG 90 1HB ARG 90 -11.100 1.934 -3.069 768 HB3 ARG 90 2HB ARG 90 -9.983 3.062 -2.313 769 HG2 ARG 90 1HG ARG 90 -8.882 3.281 -4.216 770 HG3 ARG 90 2HG ARG 90 -8.561 1.546 -4.256 771 HD2 ARG 90 1HD ARG 90 -10.963 2.990 -5.364 772 HD3 ARG 90 2HD ARG 90 -9.702 2.160 -6.275 773 HE ARG 90 HE ARG 90 -10.692 0.187 -4.744 774 HH11 ARG 90 1HH1 ARG 90 -12.220 2.561 -6.782 775 HH12 ARG 90 2HH1 ARG 90 -13.564 1.543 -7.182 776 HH21 ARG 90 1HH2 ARG 90 -12.456 -1.162 -5.263 777 HH22 ARG 90 2HH2 ARG 90 -13.698 -0.574 -6.317 778 H SER 91 HN SER 91 -9.738 -0.209 0.220 779 HA SER 91 HA SER 91 -9.195 2.147 1.859 780 HB2 SER 91 1HB SER 91 -10.145 -0.621 2.636 781 HB3 SER 91 2HB SER 91 -9.963 0.739 3.744 782 HG SER 91 HG SER 91 -12.099 0.167 2.461 783 H HIS 92 HN HIS 92 -6.974 2.386 1.631 784 HA HIS 92 HA HIS 92 -5.389 0.408 3.103 785 HB2 HIS 92 1HB HIS 92 -3.545 0.667 1.439 786 HB3 HIS 92 2HB HIS 92 -4.972 -0.137 0.791 787 HD1 HIS 92 1HD HIS 92 -5.522 3.440 1.016 788 HD2 HIS 92 2HD HIS 92 -3.775 0.840 -1.714 789 HE1 HIS 92 1HE HIS 92 -5.385 4.724 -1.142 790 H SER 93 HN SER 93 -6.438 2.916 3.954 791 HA SER 93 HA SER 93 -5.797 4.765 5.113 792 HB2 SER 93 1HB SER 93 -3.424 3.035 5.127 793 HB3 SER 93 2HB SER 93 -3.059 4.745 5.353 794 HG SER 93 HG SER 93 -4.941 4.542 6.944 795 H GLY 94 HN GLY 94 -6.447 5.995 3.232 796 HA2 GLY 94 2HA GLY 94 -4.172 7.093 1.705 797 HA3 GLY 94 3HA GLY 94 -5.831 7.049 1.128 798 H SER 95 HN SER 95 -7.215 8.685 1.642 799 HA SER 95 HA SER 95 -6.937 10.498 3.749 800 HB2 SER 95 1HB SER 95 -6.240 12.514 2.303 801 HB3 SER 95 2HB SER 95 -4.971 11.404 2.819 802 HG SER 95 HG SER 95 -6.272 10.994 0.363 803 H ASP 96 HN ASP 96 -8.893 9.030 2.122 804 HA ASP 96 HA ASP 96 -10.646 11.296 1.435 805 HB2 ASP 96 1HB ASP 96 -10.177 8.723 -0.037 806 HB3 ASP 96 2HB ASP 96 -11.728 9.549 -0.172 807 H PHE 97 HN PHE 97 -10.124 8.746 3.473 808 HA PHE 97 HA PHE 97 -12.985 8.243 3.910 809 HB2 PHE 97 1HB PHE 97 -10.675 6.564 3.978 810 HB3 PHE 97 2HB PHE 97 -11.380 6.603 5.591 811 HD1 PHE 97 1HD PHE 97 -13.943 6.209 5.723 812 HD2 PHE 97 2HD PHE 97 -11.521 5.114 2.398 813 HE1 PHE 97 1HE PHE 97 -15.652 4.587 5.016 814 HE2 PHE 97 2HE PHE 97 -13.227 3.491 1.685 815 HZ PHE 97 HZ PHE 97 -15.296 3.226 2.994 816 H SER 98 HN SER 98 -11.046 10.514 4.829 817 HA SER 98 HA SER 98 -11.507 10.320 7.717 818 HB2 SER 98 1HB SER 98 -9.645 11.916 6.001 819 HB3 SER 98 2HB SER 98 -10.085 12.540 7.590 820 HG SER 98 HG SER 98 -9.488 10.239 8.248 821 H PHE 99 HN PHE 99 -13.801 10.677 7.489 822 HA PHE 99 HA PHE 99 -15.700 11.936 7.458 823 HB2 PHE 99 1HB PHE 99 -14.138 13.035 9.259 824 HB3 PHE 99 2HB PHE 99 -14.065 14.361 8.103 825 HD1 PHE 99 2HD PHE 99 -16.494 12.224 9.938 826 HD2 PHE 99 1HD PHE 99 -15.706 15.988 8.113 827 HE1 PHE 99 2HE PHE 99 -18.632 13.085 10.797 828 HE2 PHE 99 1HE PHE 99 -17.843 16.855 8.970 829 HZ PHE 99 HZ PHE 99 -19.310 15.402 10.314 830 H ARG 100 HN ARG 100 -14.823 11.567 4.947 831 HA ARG 100 HA ARG 100 -14.166 13.695 3.343 832 HB2 ARG 100 1HB ARG 100 -15.449 12.508 1.536 833 HB3 ARG 100 2HB ARG 100 -14.288 11.506 2.398 834 HG2 ARG 100 1HG ARG 100 -16.849 11.364 3.682 835 HG3 ARG 100 2HG ARG 100 -17.003 10.995 1.963 836 HD2 ARG 100 1HD ARG 100 -15.496 9.205 2.099 837 HD3 ARG 100 2HD ARG 100 -14.862 9.745 3.653 838 HE ARG 100 HE ARG 100 -16.550 8.607 4.688 839 HH11 ARG 100 1HH1 ARG 100 -17.376 9.045 1.334 840 HH12 ARG 100 2HH1 ARG 100 -18.789 8.045 1.417 841 HH21 ARG 100 1HH2 ARG 100 -18.408 7.288 4.809 842 HH22 ARG 100 2HH2 ARG 100 -19.375 7.047 3.394 843 HA PRO 101 HA PRO 101 -17.720 16.321 4.189 844 HB2 PRO 101 1HB PRO 101 -16.675 18.511 2.973 845 HB3 PRO 101 2HB PRO 101 -16.219 18.010 4.606 846 HG2 PRO 101 1HG PRO 101 -14.788 17.555 2.016 847 HG3 PRO 101 2HG PRO 101 -14.127 18.033 3.591 848 HD2 PRO 101 1HD PRO 101 -14.005 15.489 2.672 849 HD3 PRO 101 2HD PRO 101 -14.153 15.874 4.398 850 H ILE 102 HN ILE 102 -19.194 15.281 2.812 851 HA ILE 102 HA ILE 102 -19.447 16.536 0.182 852 HB ILE 102 HB ILE 102 -19.949 13.589 0.417 853 HG12 ILE 102 1HG1 ILE 102 -17.327 14.992 0.066 854 HG13 ILE 102 2HG1 ILE 102 -17.697 13.532 0.978 855 HG21 ILE 102 1HG2 ILE 102 -19.037 15.058 -2.018 856 HG22 ILE 102 2HG2 ILE 102 -20.024 13.603 -1.889 857 HG23 ILE 102 3HG2 ILE 102 -20.717 15.176 -1.496 858 HD11 ILE 102 3HD1 ILE 102 -16.497 12.714 -0.801 859 HD12 ILE 102 1HD1 ILE 102 -18.158 12.504 -1.355 860 HD13 ILE 102 2HD1 ILE 102 -17.198 13.863 -1.941 861 H GLU 103 HN GLU 103 -20.839 16.894 2.698 862 HA GLU 103 HA GLU 103 -22.944 17.031 3.563 863 HB2 GLU 103 1HB GLU 103 -23.654 16.942 0.625 864 HB3 GLU 103 2HB GLU 103 -24.743 17.443 1.911 865 HG2 GLU 103 1HG GLU 103 -23.716 19.448 2.197 866 HG3 GLU 103 2HG GLU 103 -22.137 18.836 1.708 867 H GLU 104 HN GLU 104 -21.893 14.422 3.507 868 HA GLU 104 HA GLU 104 -23.756 12.543 2.475 869 HB2 GLU 104 1HB GLU 104 -21.330 12.482 4.124 870 HB3 GLU 104 2HB GLU 104 -22.489 11.222 4.521 871 HG2 GLU 104 1HG GLU 104 -21.706 11.701 1.680 872 HG3 GLU 104 2HG GLU 104 -20.659 10.771 2.751 873 H ALA 105 HN ALA 105 -25.789 13.330 3.196 874 HA ALA 105 HA ALA 105 -26.321 13.285 6.062 875 HB1 ALA 105 1HB ALA 105 -27.220 15.119 4.688 876 HB2 ALA 105 2HB ALA 105 -28.180 13.949 3.782 877 HB3 ALA 105 3HB ALA 105 -28.490 14.202 5.499 Start of MODEL 5 1 H1 GLY -5 HN GLY -5 -2.146 5.332 -16.451 2 HA2 GLY -5 2HA GLY -5 -0.533 4.520 -17.999 3 HA3 GLY -5 3HA GLY -5 0.419 5.339 -16.771 4 H SER -4 HN SER -4 0.129 3.475 -14.683 5 HA SER -4 HA SER -4 0.814 0.846 -15.520 6 HB2 SER -4 1HB SER -4 3.214 1.506 -14.219 7 HB3 SER -4 2HB SER -4 3.006 1.100 -15.922 8 HG SER -4 HG SER -4 3.583 3.073 -16.304 9 H HIS -3 HN HIS -3 1.219 3.286 -12.980 10 HA HIS -3 HA HIS -3 -0.284 1.871 -11.079 11 HB2 HIS -3 1HB HIS -3 1.809 1.515 -9.515 12 HB3 HIS -3 2HB HIS -3 1.339 0.282 -10.681 13 HD1 HIS -3 1HD HIS -3 3.560 -0.697 -11.278 14 HD2 HIS -3 2HD HIS -3 3.545 3.451 -11.508 15 HE1 HIS -3 1HE HIS -3 5.771 -0.072 -12.300 16 H MET -2 HN MET -2 -1.179 3.874 -10.695 17 HA MET -2 HA MET -2 0.345 5.593 -8.927 18 HB2 MET -2 1HB MET -2 -0.877 6.664 -11.477 19 HB3 MET -2 2HB MET -2 -0.175 7.641 -10.195 20 HG2 MET -2 1HG MET -2 1.980 6.379 -10.601 21 HG3 MET -2 2HG MET -2 1.219 5.752 -12.061 22 HE1 MET -2 3HE MET -2 0.413 7.368 -14.114 23 HE2 MET -2 1HE MET -2 -0.572 8.195 -12.907 24 HE3 MET -2 2HE MET -2 0.469 9.126 -13.984 25 H ALA -1 HN ALA -1 -1.490 4.237 -7.835 26 HA ALA -1 HA ALA -1 -3.539 4.144 -6.825 27 HB1 ALA -1 1HB ALA -1 -2.485 6.132 -5.776 28 HB2 ALA -1 2HB ALA -1 -3.323 7.148 -6.951 29 HB3 ALA -1 3HB ALA -1 -4.248 6.192 -5.793 30 H SER 1 HN SER 1 -3.762 3.822 -9.569 31 HA SER 1 HA SER 1 -6.479 4.225 -10.016 32 HB2 SER 1 1HB SER 1 -6.263 6.530 -10.319 33 HB3 SER 1 2HB SER 1 -4.692 6.379 -11.106 34 HG SER 1 HG SER 1 -7.247 6.137 -12.163 35 H ALA 2 HN ALA 2 -3.279 3.737 -11.290 36 HA ALA 2 HA ALA 2 -4.004 2.730 -13.834 37 HB1 ALA 2 1HB ALA 2 -1.796 2.507 -14.163 38 HB2 ALA 2 2HB ALA 2 -1.652 3.391 -12.643 39 HB3 ALA 2 3HB ALA 2 -1.557 1.630 -12.651 40 H ASP 3 HN ASP 3 -3.965 1.344 -10.659 41 HA ASP 3 HA ASP 3 -3.965 -1.392 -11.525 42 HB2 ASP 3 1HB ASP 3 -3.357 -0.263 -9.177 43 HB3 ASP 3 2HB ASP 3 -5.045 -0.652 -8.853 44 H LEU 4 HN LEU 4 -6.419 0.919 -10.440 45 HA LEU 4 HA LEU 4 -8.587 -0.915 -10.570 46 HB2 LEU 4 1HB LEU 4 -8.572 1.180 -9.237 47 HB3 LEU 4 2HB LEU 4 -8.664 2.094 -10.741 48 HG LEU 4 HG LEU 4 -10.809 0.220 -10.693 49 HD11 LEU 4 1HD1 LEU 4 -10.444 1.811 -8.169 50 HD12 LEU 4 2HD1 LEU 4 -10.716 0.077 -8.336 51 HD13 LEU 4 3HD1 LEU 4 -12.012 1.213 -8.712 52 HD21 LEU 4 3HD2 LEU 4 -12.043 2.046 -11.300 53 HD22 LEU 4 1HD2 LEU 4 -10.426 2.623 -11.706 54 HD23 LEU 4 2HD2 LEU 4 -11.190 3.129 -10.199 55 H VAL 5 HN VAL 5 -7.231 1.441 -12.822 56 HA VAL 5 HA VAL 5 -9.257 1.154 -14.797 57 HB VAL 5 HB VAL 5 -6.416 2.142 -15.074 58 HG11 VAL 5 1HG1 VAL 5 -7.236 1.469 -17.230 59 HG12 VAL 5 2HG1 VAL 5 -8.757 2.323 -16.964 60 HG13 VAL 5 3HG1 VAL 5 -7.254 3.230 -17.142 61 HG21 VAL 5 3HG2 VAL 5 -8.473 4.141 -15.288 62 HG22 VAL 5 1HG2 VAL 5 -8.612 3.272 -13.759 63 HG23 VAL 5 2HG2 VAL 5 -7.097 4.066 -14.188 64 H SER 6 HN SER 6 -5.937 -0.121 -14.572 65 HA SER 6 HA SER 6 -6.011 -1.650 -16.917 66 HB2 SER 6 1HB SER 6 -3.929 -1.110 -15.703 67 HB3 SER 6 2HB SER 6 -4.422 -2.185 -14.395 68 HG SER 6 HG SER 6 -2.972 -3.140 -15.960 69 H SER 7 HN SER 7 -6.911 -2.443 -13.595 70 HA SER 7 HA SER 7 -7.416 -5.196 -14.084 71 HB2 SER 7 1HB SER 7 -7.005 -4.529 -11.825 72 HB3 SER 7 2HB SER 7 -8.292 -3.324 -11.879 73 HG SER 7 HG SER 7 -9.790 -4.893 -11.760 74 H CYS 8 HN CYS 8 -9.541 -2.358 -13.830 75 HA CYS 8 HA CYS 8 -11.965 -3.693 -14.256 76 HB2 CYS 8 1HB CYS 8 -11.051 -0.861 -14.599 77 HB3 CYS 8 2HB CYS 8 -12.640 -1.332 -15.187 78 HG CYS 8 HG CYS 8 -13.261 -0.243 -12.812 79 H LYS 9 HN LYS 9 -9.686 -2.239 -16.535 80 HA LYS 9 HA LYS 9 -11.245 -2.609 -18.856 81 HB2 LYS 9 1HB LYS 9 -9.429 -1.084 -18.979 82 HB3 LYS 9 2HB LYS 9 -8.281 -2.292 -18.416 83 HG2 LYS 9 1HG LYS 9 -9.603 -3.148 -20.836 84 HG3 LYS 9 2HG LYS 9 -8.810 -1.584 -21.045 85 HD2 LYS 9 1HD LYS 9 -7.139 -3.428 -19.569 86 HD3 LYS 9 2HD LYS 9 -7.612 -4.098 -21.132 87 HE2 LYS 9 1HE LYS 9 -6.606 -1.287 -20.931 88 HE3 LYS 9 2HE LYS 9 -5.473 -2.636 -20.957 89 HZ1 LYS 9 3HZ LYS 9 -7.412 -1.848 -23.050 90 HZ2 LYS 9 1HZ LYS 9 -6.659 -3.363 -23.040 91 HZ3 LYS 9 2HZ LYS 9 -5.728 -1.958 -23.175 92 H ASP 10 HN ASP 10 -8.525 -4.528 -17.579 93 HA ASP 10 HA ASP 10 -8.494 -6.550 -19.450 94 HB2 ASP 10 1HB ASP 10 -6.872 -6.231 -17.555 95 HB3 ASP 10 2HB ASP 10 -8.067 -6.962 -16.486 96 H LYS 11 HN LYS 11 -10.388 -6.440 -16.439 97 HA LYS 11 HA LYS 11 -11.714 -8.903 -16.872 98 HB2 LYS 11 1HB LYS 11 -11.872 -6.682 -14.966 99 HB3 LYS 11 2HB LYS 11 -13.421 -7.458 -15.270 100 HG2 LYS 11 1HG LYS 11 -12.734 -8.792 -13.590 101 HG3 LYS 11 2HG LYS 11 -11.916 -9.637 -14.906 102 HD2 LYS 11 1HD LYS 11 -9.899 -8.232 -14.445 103 HD3 LYS 11 2HD LYS 11 -10.731 -7.603 -13.021 104 HE2 LYS 11 1HE LYS 11 -9.691 -9.308 -11.979 105 HE3 LYS 11 2HE LYS 11 -11.028 -10.257 -12.627 106 HZ1 LYS 11 3HZ LYS 11 -8.896 -11.302 -13.073 107 HZ2 LYS 11 1HZ LYS 11 -8.368 -9.928 -13.907 108 HZ3 LYS 11 2HZ LYS 11 -9.649 -10.847 -14.518 109 H LEU 12 HN LEU 12 -12.890 -5.551 -17.205 110 HA LEU 12 HA LEU 12 -15.396 -6.042 -18.208 111 HB2 LEU 12 1HB LEU 12 -14.762 -3.819 -17.684 112 HB3 LEU 12 2HB LEU 12 -13.439 -3.850 -18.848 113 HG LEU 12 HG LEU 12 -15.769 -4.293 -20.340 114 HD11 LEU 12 1HD1 LEU 12 -16.852 -1.993 -19.656 115 HD12 LEU 12 2HD1 LEU 12 -16.198 -2.415 -18.075 116 HD13 LEU 12 3HD1 LEU 12 -17.334 -3.500 -18.877 117 HD21 LEU 12 3HD2 LEU 12 -14.035 -3.114 -21.330 118 HD22 LEU 12 1HD2 LEU 12 -13.859 -2.021 -19.957 119 HD23 LEU 12 2HD2 LEU 12 -15.241 -1.859 -21.041 120 H ALA 13 HN ALA 13 -12.339 -5.923 -19.991 121 HA ALA 13 HA ALA 13 -13.498 -6.304 -22.557 122 HB1 ALA 13 1HB ALA 13 -11.070 -7.052 -23.093 123 HB2 ALA 13 2HB ALA 13 -11.386 -5.373 -22.654 124 HB3 ALA 13 3HB ALA 13 -10.725 -6.487 -21.458 125 H TYR 14 HN TYR 14 -12.160 -8.493 -20.131 126 HA TYR 14 HA TYR 14 -12.398 -10.821 -21.785 127 HB2 TYR 14 1HB TYR 14 -10.733 -10.666 -19.969 128 HB3 TYR 14 2HB TYR 14 -12.038 -10.610 -18.788 129 HD1 TYR 14 2HD TYR 14 -11.234 -12.767 -21.741 130 HD2 TYR 14 1HD TYR 14 -12.247 -12.576 -17.613 131 HE1 TYR 14 2HE TYR 14 -11.233 -15.224 -21.633 132 HE2 TYR 14 1HE TYR 14 -12.248 -15.032 -17.493 133 HH TYR 14 HH TYR 14 -10.958 -16.949 -19.021 134 H PHE 15 HN PHE 15 -14.598 -8.957 -20.057 135 HA PHE 15 HA PHE 15 -16.447 -11.201 -19.661 136 HB2 PHE 15 1HB PHE 15 -16.482 -8.363 -18.624 137 HB3 PHE 15 2HB PHE 15 -17.805 -9.500 -18.390 138 HD1 PHE 15 1HD PHE 15 -16.302 -11.988 -17.853 139 HD2 PHE 15 2HD PHE 15 -15.671 -8.010 -16.477 140 HE1 PHE 15 1HE PHE 15 -15.193 -12.864 -15.839 141 HE2 PHE 15 2HE PHE 15 -14.559 -8.880 -14.461 142 HZ PHE 15 HZ PHE 15 -14.318 -11.310 -14.141 143 H ARG 16 HN ARG 16 -18.286 -11.413 -20.811 144 HA ARG 16 HA ARG 16 -18.586 -10.269 -23.306 145 HB2 ARG 16 1HB ARG 16 -19.792 -12.300 -22.118 146 HB3 ARG 16 2HB ARG 16 -21.033 -11.094 -21.806 147 HG2 ARG 16 1HG ARG 16 -21.711 -11.053 -23.943 148 HG3 ARG 16 2HG ARG 16 -20.068 -11.182 -24.575 149 HD2 ARG 16 1HD ARG 16 -21.438 -13.513 -23.275 150 HD3 ARG 16 2HD ARG 16 -21.684 -13.137 -24.980 151 HE ARG 16 HE ARG 16 -18.917 -13.278 -24.300 152 HH11 ARG 16 1HH1 ARG 16 -21.722 -15.197 -25.054 153 HH12 ARG 16 2HH1 ARG 16 -20.805 -16.537 -25.656 154 HH21 ARG 16 1HH2 ARG 16 -17.698 -15.036 -25.090 155 HH22 ARG 16 2HH2 ARG 16 -18.516 -16.445 -25.676 156 H ILE 17 HN ILE 17 -20.672 -9.044 -23.977 157 HA ILE 17 HA ILE 17 -20.495 -6.420 -23.159 158 HB ILE 17 HB ILE 17 -23.025 -7.700 -24.191 159 HG12 ILE 17 1HG1 ILE 17 -20.418 -7.300 -25.453 160 HG13 ILE 17 2HG1 ILE 17 -21.782 -8.283 -25.976 161 HG21 ILE 17 1HG2 ILE 17 -23.172 -5.366 -23.338 162 HG22 ILE 17 2HG2 ILE 17 -21.985 -4.896 -24.552 163 HG23 ILE 17 3HG2 ILE 17 -23.554 -5.526 -25.052 164 HD11 ILE 17 3HD1 ILE 17 -21.364 -6.652 -27.649 165 HD12 ILE 17 1HD1 ILE 17 -22.854 -6.197 -26.823 166 HD13 ILE 17 2HD1 ILE 17 -21.350 -5.350 -26.460 167 H LYS 18 HN LYS 18 -22.174 -9.042 -21.654 168 HA LYS 18 HA LYS 18 -24.165 -7.855 -20.203 169 HB2 LYS 18 1HB LYS 18 -22.793 -10.293 -20.122 170 HB3 LYS 18 2HB LYS 18 -22.646 -9.637 -18.497 171 HG2 LYS 18 1HG LYS 18 -25.267 -9.886 -19.949 172 HG3 LYS 18 2HG LYS 18 -24.616 -11.132 -18.880 173 HD2 LYS 18 1HD LYS 18 -25.560 -10.063 -17.172 174 HD3 LYS 18 2HD LYS 18 -24.432 -8.733 -17.446 175 HE2 LYS 18 1HE LYS 18 -26.669 -7.859 -17.430 176 HE3 LYS 18 2HE LYS 18 -26.041 -7.777 -19.075 177 HZ1 LYS 18 3HZ LYS 18 -27.781 -8.943 -19.745 178 HZ2 LYS 18 1HZ LYS 18 -28.361 -9.058 -18.159 179 HZ3 LYS 18 2HZ LYS 18 -27.315 -10.241 -18.765 180 H GLU 19 HN GLU 19 -20.741 -8.083 -19.246 181 HA GLU 19 HA GLU 19 -20.923 -6.726 -16.826 182 HB2 GLU 19 1HB GLU 19 -18.910 -7.908 -17.417 183 HB3 GLU 19 2HB GLU 19 -18.652 -6.869 -18.811 184 HG2 GLU 19 1HG GLU 19 -17.181 -6.374 -16.876 185 HG3 GLU 19 2HG GLU 19 -18.142 -5.003 -17.427 186 H LEU 20 HN LEU 20 -20.037 -5.395 -20.013 187 HA LEU 20 HA LEU 20 -19.875 -2.718 -19.205 188 HB2 LEU 20 1HB LEU 20 -20.658 -3.770 -21.919 189 HB3 LEU 20 2HB LEU 20 -20.034 -2.161 -21.559 190 HG LEU 20 HG LEU 20 -18.137 -4.053 -20.623 191 HD11 LEU 20 1HD1 LEU 20 -19.257 -4.639 -23.343 192 HD12 LEU 20 2HD1 LEU 20 -18.902 -5.757 -22.027 193 HD13 LEU 20 3HD1 LEU 20 -17.583 -5.008 -22.927 194 HD21 LEU 20 3HD2 LEU 20 -17.967 -2.345 -23.094 195 HD22 LEU 20 1HD2 LEU 20 -16.658 -2.860 -22.029 196 HD23 LEU 20 2HD2 LEU 20 -17.847 -1.687 -21.461 197 H LYS 21 HN LYS 21 -22.600 -4.706 -20.109 198 HA LYS 21 HA LYS 21 -24.492 -2.695 -20.599 199 HB2 LYS 21 1HB LYS 21 -24.700 -5.203 -21.024 200 HB3 LYS 21 2HB LYS 21 -25.114 -5.354 -19.322 201 HG2 LYS 21 1HG LYS 21 -27.219 -4.862 -19.776 202 HG3 LYS 21 2HG LYS 21 -26.727 -3.305 -20.448 203 HD2 LYS 21 1HD LYS 21 -26.101 -4.778 -22.537 204 HD3 LYS 21 2HD LYS 21 -27.276 -5.890 -21.831 205 HE2 LYS 21 1HE LYS 21 -28.568 -4.596 -23.265 206 HE3 LYS 21 2HE LYS 21 -28.814 -3.824 -21.699 207 HZ1 LYS 21 3HZ LYS 21 -27.655 -1.993 -22.314 208 HZ2 LYS 21 1HZ LYS 21 -28.190 -2.457 -23.851 209 HZ3 LYS 21 2HZ LYS 21 -26.619 -2.836 -23.352 210 H ASP 22 HN ASP 22 -23.693 -4.423 -17.598 211 HA ASP 22 HA ASP 22 -25.570 -3.085 -15.973 212 HB2 ASP 22 1HB ASP 22 -23.587 -5.087 -15.638 213 HB3 ASP 22 2HB ASP 22 -23.273 -3.837 -14.437 214 H ILE 23 HN ILE 23 -22.171 -2.436 -16.708 215 HA ILE 23 HA ILE 23 -21.820 -0.301 -14.910 216 HB ILE 23 HB ILE 23 -20.425 -0.803 -17.541 217 HG12 ILE 23 1HG1 ILE 23 -20.155 -2.673 -16.019 218 HG13 ILE 23 2HG1 ILE 23 -18.646 -1.769 -16.099 219 HG21 ILE 23 1HG2 ILE 23 -19.742 1.323 -17.167 220 HG22 ILE 23 2HG2 ILE 23 -20.086 1.245 -15.439 221 HG23 ILE 23 3HG2 ILE 23 -18.614 0.515 -16.079 222 HD11 ILE 23 3HD1 ILE 23 -18.875 -2.204 -13.847 223 HD12 ILE 23 1HD1 ILE 23 -19.528 -0.572 -13.991 224 HD13 ILE 23 2HD1 ILE 23 -20.620 -1.952 -13.869 225 H LEU 24 HN LEU 24 -22.396 -0.201 -18.432 226 HA LEU 24 HA LEU 24 -22.733 2.568 -18.616 227 HB2 LEU 24 1HB LEU 24 -22.786 2.037 -20.763 228 HB3 LEU 24 2HB LEU 24 -22.905 0.332 -20.332 229 HG LEU 24 HG LEU 24 -25.381 2.003 -20.422 230 HD11 LEU 24 1HD1 LEU 24 -23.871 2.219 -22.548 231 HD12 LEU 24 2HD1 LEU 24 -25.602 1.921 -22.704 232 HD13 LEU 24 3HD1 LEU 24 -24.460 0.589 -22.879 233 HD21 LEU 24 3HD2 LEU 24 -24.655 -0.801 -20.232 234 HD22 LEU 24 1HD2 LEU 24 -25.817 -0.494 -21.522 235 HD23 LEU 24 2HD2 LEU 24 -26.185 0.000 -19.869 236 H ASN 25 HN ASN 25 -24.967 0.025 -17.737 237 HA ASN 25 HA ASN 25 -27.371 1.460 -18.013 238 HB2 ASN 25 1HB ASN 25 -27.893 -0.728 -17.693 239 HB3 ASN 25 2HB ASN 25 -26.499 -1.015 -16.656 240 HD21 ASN 25 1HD2 ASN 25 -26.644 -0.516 -14.445 241 HD22 ASN 25 2HD2 ASN 25 -28.175 -0.378 -13.656 242 H GLN 26 HN GLN 26 -25.155 1.083 -15.274 243 HA GLN 26 HA GLN 26 -26.729 2.604 -13.459 244 HB2 GLN 26 1HB GLN 26 -23.880 1.655 -13.474 245 HB3 GLN 26 2HB GLN 26 -24.456 2.745 -12.220 246 HG2 GLN 26 1HG GLN 26 -26.032 1.161 -11.440 247 HG3 GLN 26 2HG GLN 26 -25.785 0.126 -12.845 248 HE21 GLN 26 1HE2 GLN 26 -23.191 -0.198 -13.081 249 HE22 GLN 26 2HE2 GLN 26 -22.489 -0.886 -11.660 250 H LEU 27 HN LEU 27 -24.170 3.377 -15.731 251 HA LEU 27 HA LEU 27 -23.668 6.007 -14.804 252 HB2 LEU 27 1HB LEU 27 -22.057 5.944 -16.327 253 HB3 LEU 27 2HB LEU 27 -22.592 4.308 -16.709 254 HG LEU 27 HG LEU 27 -24.219 5.540 -18.348 255 HD11 LEU 27 1HD1 LEU 27 -23.909 7.707 -18.716 256 HD12 LEU 27 2HD1 LEU 27 -22.168 7.495 -18.892 257 HD13 LEU 27 3HD1 LEU 27 -22.869 7.731 -17.292 258 HD21 LEU 27 3HD2 LEU 27 -21.904 5.745 -19.825 259 HD22 LEU 27 1HD2 LEU 27 -22.873 4.287 -19.611 260 HD23 LEU 27 2HD2 LEU 27 -21.480 4.581 -18.569 261 H GLY 28 HN GLY 28 -26.231 4.628 -16.599 262 HA2 GLY 28 2HA GLY 28 -28.265 5.925 -16.824 263 HA3 GLY 28 3HA GLY 28 -27.267 7.336 -17.143 264 H LEU 29 HN LEU 29 -25.930 4.741 -18.721 265 HA LEU 29 HA LEU 29 -25.789 4.123 -20.904 266 HB2 LEU 29 1HB LEU 29 -28.714 4.750 -20.675 267 HB3 LEU 29 2HB LEU 29 -28.003 4.222 -22.199 268 HG LEU 29 HG LEU 29 -27.286 2.431 -20.050 269 HD11 LEU 29 1HD1 LEU 29 -30.224 2.905 -20.527 270 HD12 LEU 29 2HD1 LEU 29 -29.349 3.100 -19.008 271 HD13 LEU 29 3HD1 LEU 29 -29.550 1.495 -19.710 272 HD21 LEU 29 3HD2 LEU 29 -29.084 1.557 -22.207 273 HD22 LEU 29 1HD2 LEU 29 -27.538 0.896 -21.675 274 HD23 LEU 29 2HD2 LEU 29 -27.577 2.305 -22.735 275 HA PRO 30 HA PRO 30 -24.876 8.176 -22.586 276 HB2 PRO 30 1HB PRO 30 -23.150 7.267 -24.475 277 HB3 PRO 30 2HB PRO 30 -22.702 7.457 -22.775 278 HG2 PRO 30 1HG PRO 30 -23.511 4.984 -24.256 279 HG3 PRO 30 2HG PRO 30 -22.205 5.205 -23.077 280 HD2 PRO 30 1HD PRO 30 -24.585 4.091 -22.424 281 HD3 PRO 30 2HD PRO 30 -23.637 5.058 -21.276 282 H LYS 31 HN LYS 31 -24.429 8.668 -25.165 283 HA LYS 31 HA LYS 31 -27.008 8.449 -26.346 284 HB2 LYS 31 1HB LYS 31 -24.368 9.482 -27.381 285 HB3 LYS 31 2HB LYS 31 -25.845 9.516 -28.336 286 HG2 LYS 31 1HG LYS 31 -26.614 11.313 -27.271 287 HG3 LYS 31 2HG LYS 31 -26.196 10.659 -25.686 288 HD2 LYS 31 1HD LYS 31 -23.885 11.468 -27.292 289 HD3 LYS 31 2HD LYS 31 -24.978 12.793 -26.887 290 HE2 LYS 31 1HE LYS 31 -24.420 12.744 -24.712 291 HE3 LYS 31 2HE LYS 31 -24.405 10.982 -24.657 292 HZ1 LYS 31 3HZ LYS 31 -22.228 12.842 -25.219 293 HZ2 LYS 31 1HZ LYS 31 -22.228 11.384 -26.077 294 HZ3 LYS 31 2HZ LYS 31 -22.206 11.371 -24.386 295 H GLN 32 HN GLN 32 -24.279 6.427 -26.345 296 HA GLN 32 HA GLN 32 -25.413 4.875 -28.574 297 HB2 GLN 32 1HB GLN 32 -22.515 5.427 -27.955 298 HB3 GLN 32 2HB GLN 32 -23.025 4.111 -29.004 299 HG2 GLN 32 1HG GLN 32 -23.245 5.481 -30.725 300 HG3 GLN 32 2HG GLN 32 -24.285 6.564 -29.801 301 HE21 GLN 32 1HE2 GLN 32 -22.654 7.507 -27.878 302 HE22 GLN 32 2HE2 GLN 32 -21.348 8.400 -28.572 303 H GLY 33 HN GLY 33 -24.061 2.588 -28.462 304 HA2 GLY 33 2HA GLY 33 -23.837 1.642 -25.729 305 HA3 GLY 33 3HA GLY 33 -25.212 1.006 -26.620 306 H LYS 34 HN LYS 34 -22.402 1.726 -28.451 307 HA LYS 34 HA LYS 34 -22.071 -1.052 -29.128 308 HB2 LYS 34 1HB LYS 34 -20.122 -0.049 -30.514 309 HB3 LYS 34 2HB LYS 34 -21.776 0.334 -30.973 310 HG2 LYS 34 1HG LYS 34 -21.634 2.501 -30.042 311 HG3 LYS 34 2HG LYS 34 -20.123 2.121 -29.213 312 HD2 LYS 34 1HD LYS 34 -18.920 2.688 -31.002 313 HD3 LYS 34 2HD LYS 34 -19.893 1.656 -32.054 314 HE2 LYS 34 1HE LYS 34 -21.605 3.708 -31.636 315 HE3 LYS 34 2HE LYS 34 -20.060 4.553 -31.549 316 HZ1 LYS 34 3HZ LYS 34 -19.505 3.881 -33.714 317 HZ2 LYS 34 1HZ LYS 34 -21.119 4.380 -33.813 318 HZ3 LYS 34 2HZ LYS 34 -20.744 2.731 -33.780 319 H LYS 35 HN LYS 35 -20.162 -2.281 -28.881 320 HA LYS 35 HA LYS 35 -19.009 -2.333 -26.395 321 HB2 LYS 35 1HB LYS 35 -18.406 -3.525 -29.009 322 HB3 LYS 35 2HB LYS 35 -17.007 -3.382 -27.952 323 HG2 LYS 35 1HG LYS 35 -19.600 -4.699 -27.174 324 HG3 LYS 35 2HG LYS 35 -18.178 -5.554 -27.776 325 HD2 LYS 35 1HD LYS 35 -17.830 -3.709 -25.470 326 HD3 LYS 35 2HD LYS 35 -18.636 -5.253 -25.184 327 HE2 LYS 35 1HE LYS 35 -15.955 -4.963 -26.532 328 HE3 LYS 35 2HE LYS 35 -16.166 -5.287 -24.812 329 HZ1 LYS 35 3HZ LYS 35 -17.644 -7.225 -25.771 330 HZ2 LYS 35 1HZ LYS 35 -15.972 -7.398 -25.580 331 HZ3 LYS 35 2HZ LYS 35 -16.617 -7.044 -27.103 332 H GLN 36 HN GLN 36 -18.122 -0.378 -29.136 333 HA GLN 36 HA GLN 36 -15.545 0.383 -28.198 334 HB2 GLN 36 1HB GLN 36 -17.325 1.098 -30.414 335 HB3 GLN 36 2HB GLN 36 -16.353 2.442 -29.830 336 HG2 GLN 36 1HG GLN 36 -15.277 -0.228 -30.707 337 HG3 GLN 36 2HG GLN 36 -15.288 1.242 -31.680 338 HE21 GLN 36 1HE2 GLN 36 -13.913 -0.350 -28.902 339 HE22 GLN 36 2HE2 GLN 36 -12.548 0.695 -28.730 340 H ASP 37 HN ASP 37 -18.758 1.868 -28.017 341 HA ASP 37 HA ASP 37 -17.925 4.231 -26.704 342 HB2 ASP 37 1HB ASP 37 -20.404 3.048 -27.563 343 HB3 ASP 37 2HB ASP 37 -20.581 3.676 -25.927 344 H LEU 38 HN LEU 38 -19.219 1.157 -25.496 345 HA LEU 38 HA LEU 38 -19.323 1.852 -22.782 346 HB2 LEU 38 1HB LEU 38 -18.853 -0.849 -24.036 347 HB3 LEU 38 2HB LEU 38 -19.306 -0.570 -22.356 348 HG LEU 38 HG LEU 38 -21.009 0.109 -24.753 349 HD11 LEU 38 1HD1 LEU 38 -22.069 -1.875 -24.556 350 HD12 LEU 38 2HD1 LEU 38 -21.818 -1.963 -22.813 351 HD13 LEU 38 3HD1 LEU 38 -20.508 -2.386 -23.914 352 HD21 LEU 38 3HD2 LEU 38 -22.118 1.407 -23.332 353 HD22 LEU 38 1HD2 LEU 38 -21.119 0.879 -21.977 354 HD23 LEU 38 2HD2 LEU 38 -22.548 -0.049 -22.433 355 H ILE 39 HN ILE 39 -16.836 -0.062 -24.483 356 HA ILE 39 HA ILE 39 -15.027 -0.323 -22.420 357 HB ILE 39 HB ILE 39 -14.803 -0.336 -25.372 358 HG12 ILE 39 1HG1 ILE 39 -13.507 -2.469 -24.714 359 HG13 ILE 39 2HG1 ILE 39 -14.084 -2.152 -23.081 360 HG21 ILE 39 1HG2 ILE 39 -12.906 0.991 -25.050 361 HG22 ILE 39 2HG2 ILE 39 -12.479 0.175 -23.547 362 HG23 ILE 39 3HG2 ILE 39 -12.278 -0.657 -25.089 363 HD11 ILE 39 3HD1 ILE 39 -16.411 -2.014 -24.314 364 HD12 ILE 39 1HD1 ILE 39 -15.573 -3.031 -25.486 365 HD13 ILE 39 2HD1 ILE 39 -15.714 -3.553 -23.807 366 H ASP 40 HN ASP 40 -15.036 2.230 -24.910 367 HA ASP 40 HA ASP 40 -12.921 3.721 -23.825 368 HB2 ASP 40 1HB ASP 40 -14.321 3.875 -26.118 369 HB3 ASP 40 2HB ASP 40 -15.077 5.196 -25.232 370 H ARG 41 HN ARG 41 -16.323 3.614 -23.065 371 HA ARG 41 HA ARG 41 -16.434 6.039 -21.590 372 HB2 ARG 41 1HB ARG 41 -18.185 3.673 -21.967 373 HB3 ARG 41 2HB ARG 41 -18.449 4.626 -20.513 374 HG2 ARG 41 1HG ARG 41 -18.338 5.885 -23.232 375 HG3 ARG 41 2HG ARG 41 -19.827 5.209 -22.568 376 HD2 ARG 41 1HD ARG 41 -20.126 7.249 -21.690 377 HD3 ARG 41 2HD ARG 41 -18.936 6.736 -20.494 378 HE ARG 41 HE ARG 41 -17.503 7.777 -22.611 379 HH11 ARG 41 1HH1 ARG 41 -19.897 8.907 -20.351 380 HH12 ARG 41 2HH1 ARG 41 -19.326 10.543 -20.364 381 HH21 ARG 41 1HH2 ARG 41 -16.742 9.927 -22.637 382 HH22 ARG 41 2HH2 ARG 41 -17.532 11.122 -21.665 383 H VAL 42 HN VAL 42 -16.210 2.634 -20.563 384 HA VAL 42 HA VAL 42 -16.066 3.024 -17.827 385 HB VAL 42 HB VAL 42 -14.773 0.915 -19.549 386 HG11 VAL 42 1HG1 VAL 42 -14.838 1.168 -16.552 387 HG12 VAL 42 2HG1 VAL 42 -14.579 -0.369 -17.380 388 HG13 VAL 42 3HG1 VAL 42 -13.435 0.956 -17.599 389 HG21 VAL 42 3HG2 VAL 42 -16.708 -0.229 -17.945 390 HG22 VAL 42 1HG2 VAL 42 -17.404 1.329 -18.391 391 HG23 VAL 42 2HG2 VAL 42 -16.887 0.203 -19.646 392 H LEU 43 HN LEU 43 -13.320 2.696 -20.082 393 HA LEU 43 HA LEU 43 -11.306 3.219 -18.212 394 HB2 LEU 43 1HB LEU 43 -11.181 3.944 -21.127 395 HB3 LEU 43 2HB LEU 43 -9.843 3.524 -20.059 396 HG LEU 43 HG LEU 43 -11.831 1.742 -21.403 397 HD11 LEU 43 1HD1 LEU 43 -9.092 2.355 -21.691 398 HD12 LEU 43 2HD1 LEU 43 -10.044 1.164 -22.577 399 HD13 LEU 43 3HD1 LEU 43 -9.196 0.695 -21.104 400 HD21 LEU 43 3HD2 LEU 43 -10.861 -0.083 -19.885 401 HD22 LEU 43 1HD2 LEU 43 -12.123 0.958 -19.223 402 HD23 LEU 43 2HD2 LEU 43 -10.435 1.238 -18.795 403 H ALA 44 HN ALA 44 -13.265 5.378 -20.176 404 HA ALA 44 HA ALA 44 -11.809 7.746 -19.737 405 HB1 ALA 44 1HB ALA 44 -13.303 8.025 -21.434 406 HB2 ALA 44 2HB ALA 44 -14.566 7.095 -20.627 407 HB3 ALA 44 3HB ALA 44 -14.227 8.749 -20.118 408 H LEU 45 HN LEU 45 -14.191 6.055 -17.814 409 HA LEU 45 HA LEU 45 -14.660 8.215 -15.993 410 HB2 LEU 45 1HB LEU 45 -15.170 5.273 -15.594 411 HB3 LEU 45 2HB LEU 45 -15.877 6.600 -14.675 412 HG LEU 45 HG LEU 45 -16.375 6.570 -17.597 413 HD11 LEU 45 1HD1 LEU 45 -16.681 4.193 -16.324 414 HD12 LEU 45 2HD1 LEU 45 -17.643 4.725 -17.703 415 HD13 LEU 45 3HD1 LEU 45 -18.262 4.931 -16.064 416 HD21 LEU 45 3HD2 LEU 45 -17.742 7.429 -15.093 417 HD22 LEU 45 1HD2 LEU 45 -18.715 7.084 -16.523 418 HD23 LEU 45 2HD2 LEU 45 -17.459 8.321 -16.589 419 H LEU 46 HN LEU 46 -12.822 5.172 -15.802 420 HA LEU 46 HA LEU 46 -11.731 5.764 -13.233 421 HB2 LEU 46 1HB LEU 46 -10.453 3.857 -15.143 422 HB3 LEU 46 2HB LEU 46 -10.603 3.749 -13.391 423 HG LEU 46 HG LEU 46 -12.716 3.193 -15.463 424 HD11 LEU 46 1HD1 LEU 46 -12.751 0.993 -14.314 425 HD12 LEU 46 2HD1 LEU 46 -11.366 1.515 -13.356 426 HD13 LEU 46 3HD1 LEU 46 -11.217 1.356 -15.106 427 HD21 LEU 46 3HD2 LEU 46 -13.850 2.526 -13.089 428 HD22 LEU 46 1HD2 LEU 46 -14.158 4.030 -13.958 429 HD23 LEU 46 2HD2 LEU 46 -12.975 3.994 -12.650 430 H THR 47 HN THR 47 -11.052 6.901 -16.322 431 HA THR 47 HA THR 47 -8.276 7.570 -15.613 432 HB THR 47 HB THR 47 -9.634 7.629 -18.315 433 HG1 THR 47 1HG THR 47 -9.140 5.520 -17.613 434 HG21 THR 47 3HG2 THR 47 -6.909 8.471 -17.393 435 HG22 THR 47 1HG2 THR 47 -8.027 9.307 -18.470 436 HG23 THR 47 2HG2 THR 47 -7.156 7.881 -19.036 437 H ASP 48 HN ASP 48 -10.705 9.143 -17.684 438 HA ASP 48 HA ASP 48 -9.816 11.751 -17.073 439 HB2 ASP 48 1HB ASP 48 -11.842 10.530 -18.734 440 HB3 ASP 48 2HB ASP 48 -12.484 11.957 -17.925 441 H GLU 49 HN GLU 49 -11.720 9.575 -15.316 442 HA GLU 49 HA GLU 49 -12.578 11.745 -13.523 443 HB2 GLU 49 1HB GLU 49 -14.221 9.803 -14.903 444 HB3 GLU 49 2HB GLU 49 -14.399 9.647 -13.161 445 HG2 GLU 49 1HG GLU 49 -15.393 11.671 -12.936 446 HG3 GLU 49 2HG GLU 49 -14.517 12.378 -14.294 447 H GLN 50 HN GLN 50 -10.257 9.866 -13.558 448 HA GLN 50 HA GLN 50 -10.466 7.799 -11.740 449 HB2 GLN 50 1HB GLN 50 -8.118 7.899 -11.504 450 HB3 GLN 50 2HB GLN 50 -8.449 8.473 -13.133 451 HG2 GLN 50 1HG GLN 50 -8.279 10.504 -10.987 452 HG3 GLN 50 2HG GLN 50 -6.783 9.714 -11.483 453 HE21 GLN 50 1HE2 GLN 50 -9.451 11.712 -12.523 454 HE22 GLN 50 2HE2 GLN 50 -8.685 12.339 -13.939 455 H GLY 51 HN GLY 51 -10.626 11.197 -11.183 456 HA2 GLY 51 2HA GLY 51 -11.349 12.266 -9.247 457 HA3 GLY 51 3HA GLY 51 -11.239 10.734 -8.393 458 H GLN 52 HN GLN 52 -8.849 12.698 -10.161 459 HA GLN 52 HA GLN 52 -7.221 12.724 -7.705 460 HB2 GLN 52 1HB GLN 52 -6.575 11.828 -10.383 461 HB3 GLN 52 2HB GLN 52 -5.479 13.098 -9.858 462 HG2 GLN 52 1HG GLN 52 -4.796 10.706 -9.378 463 HG3 GLN 52 2HG GLN 52 -4.716 11.849 -8.038 464 HE21 GLN 52 1HE2 GLN 52 -6.475 9.171 -9.420 465 HE22 GLN 52 2HE2 GLN 52 -7.317 8.725 -7.979 466 H ARG 53 HN ARG 53 -8.962 14.581 -9.818 467 HA ARG 53 HA ARG 53 -7.346 16.971 -9.215 468 HB2 ARG 53 1HB ARG 53 -8.135 17.979 -11.264 469 HB3 ARG 53 2HB ARG 53 -7.421 16.415 -11.633 470 HG2 ARG 53 1HG ARG 53 -9.317 15.652 -12.504 471 HG3 ARG 53 2HG ARG 53 -10.266 16.216 -11.128 472 HD2 ARG 53 1HD ARG 53 -9.332 17.929 -13.428 473 HD3 ARG 53 2HD ARG 53 -10.956 17.269 -13.243 474 HE ARG 53 HE ARG 53 -11.291 18.724 -11.387 475 HH11 ARG 53 1HH1 ARG 53 -8.313 19.255 -13.111 476 HH12 ARG 53 2HH1 ARG 53 -8.088 20.857 -12.490 477 HH21 ARG 53 1HH2 ARG 53 -11.005 20.832 -10.563 478 HH22 ARG 53 2HH2 ARG 53 -9.619 21.752 -11.041 479 H HIS 54 HN HIS 54 -10.279 15.369 -8.751 480 HA HIS 54 HA HIS 54 -11.324 17.282 -7.007 481 HB2 HIS 54 1HB HIS 54 -11.688 18.171 -9.551 482 HB3 HIS 54 2HB HIS 54 -13.178 17.265 -9.303 483 HD1 HIS 54 1HD HIS 54 -14.982 18.764 -8.561 484 HD2 HIS 54 2HD HIS 54 -11.301 19.919 -7.019 485 HE1 HIS 54 1HE HIS 54 -15.452 20.788 -7.145 486 H HIS 55 HN HIS 55 -13.979 16.857 -7.012 487 HA HIS 55 HA HIS 55 -14.473 14.002 -7.325 488 HB2 HIS 55 1HB HIS 55 -15.192 13.695 -5.029 489 HB3 HIS 55 2HB HIS 55 -13.529 14.274 -5.045 490 HD1 HIS 55 1HD HIS 55 -13.476 17.094 -4.836 491 HD2 HIS 55 2HD HIS 55 -16.679 15.007 -3.208 492 HE1 HIS 55 1HE HIS 55 -14.506 18.650 -3.150 493 H GLY 56 HN GLY 56 -16.796 13.467 -6.791 494 HA2 GLY 56 2HA GLY 56 -19.047 14.356 -6.458 495 HA3 GLY 56 3HA GLY 56 -18.542 15.783 -7.352 496 H TRP 57 HN TRP 57 -18.174 12.311 -8.038 497 HA TRP 57 HA TRP 57 -19.573 12.783 -10.589 498 HB2 TRP 57 1HB TRP 57 -17.941 10.397 -10.600 499 HB3 TRP 57 2HB TRP 57 -17.891 11.788 -11.680 500 HD1 TRP 57 HD TRP 57 -16.193 13.789 -11.017 501 HE1 TRP 57 1HE TRP 57 -14.048 13.779 -9.594 502 HE3 TRP 57 3HE TRP 57 -16.849 9.336 -8.592 503 HZ2 TRP 57 2HZ TRP 57 -12.799 12.104 -7.695 504 HZ3 TRP 57 3HZ TRP 57 -15.132 8.602 -6.989 505 HH2 TRP 57 HH TRP 57 -13.150 9.959 -6.551 506 H GLY 58 HN GLY 58 -18.625 9.845 -8.812 507 HA2 GLY 58 2HA GLY 58 -21.191 8.644 -9.389 508 HA3 GLY 58 3HA GLY 58 -19.850 7.890 -8.540 509 H ARG 59 HN ARG 59 -20.489 10.906 -7.236 510 HA ARG 59 HA ARG 59 -21.742 9.676 -4.912 511 HB2 ARG 59 1HB ARG 59 -19.849 11.718 -5.270 512 HB3 ARG 59 2HB ARG 59 -21.293 12.517 -4.663 513 HG2 ARG 59 1HG ARG 59 -20.151 10.079 -3.341 514 HG3 ARG 59 2HG ARG 59 -19.599 11.709 -2.953 515 HD2 ARG 59 1HD ARG 59 -21.235 11.541 -1.391 516 HD3 ARG 59 2HD ARG 59 -22.227 12.103 -2.736 517 HE ARG 59 HE ARG 59 -22.100 9.288 -2.757 518 HH11 ARG 59 1HH1 ARG 59 -23.498 11.926 -0.967 519 HH12 ARG 59 2HH1 ARG 59 -24.863 11.007 -0.425 520 HH21 ARG 59 1HH2 ARG 59 -23.892 8.067 -2.050 521 HH22 ARG 59 2HH2 ARG 59 -25.086 8.812 -1.041 522 H LYS 60 HN LYS 60 -23.108 10.384 -7.552 523 HA LYS 60 HA LYS 60 -25.464 11.578 -6.313 524 HB2 LYS 60 1HB LYS 60 -23.898 12.768 -8.552 525 HB3 LYS 60 2HB LYS 60 -25.652 12.880 -8.626 526 HG2 LYS 60 1HG LYS 60 -25.429 13.788 -6.200 527 HG3 LYS 60 2HG LYS 60 -23.757 14.102 -6.672 528 HD2 LYS 60 1HD LYS 60 -25.061 15.117 -8.805 529 HD3 LYS 60 2HD LYS 60 -26.256 15.410 -7.539 530 HE2 LYS 60 1HE LYS 60 -24.234 16.353 -6.212 531 HE3 LYS 60 2HE LYS 60 -23.465 16.462 -7.794 532 HZ1 LYS 60 3HZ LYS 60 -25.100 17.949 -8.548 533 HZ2 LYS 60 1HZ LYS 60 -24.685 18.499 -7.003 534 HZ3 LYS 60 2HZ LYS 60 -26.123 17.640 -7.237 535 H ASN 61 HN ASN 61 -24.458 8.956 -7.526 536 HA ASN 61 HA ASN 61 -26.900 8.047 -8.534 537 HB2 ASN 61 1HB ASN 61 -25.857 7.578 -10.933 538 HB3 ASN 61 2HB ASN 61 -26.736 9.064 -10.586 539 HD21 ASN 61 1HD2 ASN 61 -23.534 8.319 -9.394 540 HD22 ASN 61 2HD2 ASN 61 -22.705 9.531 -10.305 541 H SER 62 HN SER 62 -24.224 6.963 -10.389 542 HA SER 62 HA SER 62 -23.328 4.988 -8.488 543 HB2 SER 62 1HB SER 62 -25.114 4.261 -10.795 544 HB3 SER 62 2HB SER 62 -23.924 3.112 -10.183 545 HG SER 62 HG SER 62 -24.925 3.514 -8.068 546 H LEU 63 HN LEU 63 -22.395 7.154 -10.402 547 HA LEU 63 HA LEU 63 -20.624 5.629 -12.153 548 HB2 LEU 63 1HB LEU 63 -21.467 8.480 -11.960 549 HB3 LEU 63 2HB LEU 63 -19.927 8.102 -12.730 550 HG LEU 63 HG LEU 63 -21.943 6.412 -13.837 551 HD11 LEU 63 1HD1 LEU 63 -22.632 9.342 -13.749 552 HD12 LEU 63 2HD1 LEU 63 -23.608 7.990 -13.176 553 HD13 LEU 63 3HD1 LEU 63 -23.318 8.198 -14.903 554 HD21 LEU 63 3HD2 LEU 63 -19.954 8.414 -14.709 555 HD22 LEU 63 1HD2 LEU 63 -21.287 8.094 -15.819 556 HD23 LEU 63 2HD2 LEU 63 -20.247 6.773 -15.287 557 H THR 64 HN THR 64 -19.734 4.891 -9.906 558 HA THR 64 HA THR 64 -17.403 6.593 -9.330 559 HB THR 64 HB THR 64 -17.985 5.097 -6.992 560 HG1 THR 64 1HG THR 64 -20.078 6.150 -6.548 561 HG21 THR 64 3HG2 THR 64 -16.801 7.132 -6.838 562 HG22 THR 64 1HG2 THR 64 -18.357 7.446 -6.070 563 HG23 THR 64 2HG2 THR 64 -18.052 8.019 -7.710 564 H LYS 65 HN LYS 65 -15.560 5.425 -8.442 565 HA LYS 65 HA LYS 65 -14.844 3.190 -9.913 566 HB2 LYS 65 1HB LYS 65 -13.747 3.946 -7.200 567 HB3 LYS 65 2HB LYS 65 -12.939 2.978 -8.426 568 HG2 LYS 65 1HG LYS 65 -12.988 4.965 -9.928 569 HG3 LYS 65 2HG LYS 65 -13.619 5.906 -8.574 570 HD2 LYS 65 1HD LYS 65 -11.249 4.373 -7.867 571 HD3 LYS 65 2HD LYS 65 -10.955 5.508 -9.186 572 HE2 LYS 65 1HE LYS 65 -11.761 7.341 -7.856 573 HE3 LYS 65 2HE LYS 65 -12.265 6.244 -6.572 574 HZ1 LYS 65 3HZ LYS 65 -9.668 7.337 -7.128 575 HZ2 LYS 65 1HZ LYS 65 -9.640 5.664 -6.883 576 HZ3 LYS 65 2HZ LYS 65 -10.279 6.682 -5.694 577 H GLU 66 HN GLU 66 -16.413 3.398 -6.780 578 HA GLU 66 HA GLU 66 -16.118 0.703 -6.015 579 HB2 GLU 66 1HB GLU 66 -17.550 3.034 -5.083 580 HB3 GLU 66 2HB GLU 66 -18.560 1.600 -4.965 581 HG2 GLU 66 1HG GLU 66 -16.624 0.492 -3.780 582 HG3 GLU 66 2HG GLU 66 -15.887 2.091 -3.691 583 H ALA 67 HN ALA 67 -18.587 2.376 -7.904 584 HA ALA 67 HA ALA 67 -20.385 0.208 -8.114 585 HB1 ALA 67 1HB ALA 67 -20.997 2.551 -8.575 586 HB2 ALA 67 2HB ALA 67 -20.013 2.499 -10.038 587 HB3 ALA 67 3HB ALA 67 -21.433 1.464 -9.894 588 H VAL 68 HN VAL 68 -17.966 1.448 -10.423 589 HA VAL 68 HA VAL 68 -18.304 -0.488 -12.394 590 HB VAL 68 HB VAL 68 -15.768 0.970 -11.636 591 HG11 VAL 68 1HG1 VAL 68 -15.032 0.488 -13.920 592 HG12 VAL 68 2HG1 VAL 68 -15.299 -0.996 -13.002 593 HG13 VAL 68 3HG1 VAL 68 -16.491 -0.466 -14.189 594 HG21 VAL 68 3HG2 VAL 68 -17.333 2.619 -12.170 595 HG22 VAL 68 1HG2 VAL 68 -16.478 2.344 -13.688 596 HG23 VAL 68 2HG2 VAL 68 -18.074 1.639 -13.435 597 H ALA 69 HN ALA 69 -16.120 -0.472 -9.597 598 HA ALA 69 HA ALA 69 -14.919 -2.978 -10.193 599 HB1 ALA 69 1HB ALA 69 -13.940 -1.183 -8.734 600 HB2 ALA 69 2HB ALA 69 -15.081 -1.677 -7.483 601 HB3 ALA 69 3HB ALA 69 -13.867 -2.815 -8.069 602 H LYS 70 HN LYS 70 -17.809 -2.013 -8.514 603 HA LYS 70 HA LYS 70 -18.251 -4.354 -7.010 604 HB2 LYS 70 1HB LYS 70 -19.499 -2.374 -6.492 605 HB3 LYS 70 2HB LYS 70 -20.154 -2.290 -8.122 606 HG2 LYS 70 1HG LYS 70 -21.686 -3.947 -7.744 607 HG3 LYS 70 2HG LYS 70 -20.713 -4.710 -6.484 608 HD2 LYS 70 1HD LYS 70 -22.234 -3.750 -5.116 609 HD3 LYS 70 2HD LYS 70 -21.207 -2.329 -5.322 610 HE2 LYS 70 1HE LYS 70 -22.724 -1.887 -7.397 611 HE3 LYS 70 2HE LYS 70 -23.848 -2.964 -6.571 612 HZ1 LYS 70 3HZ LYS 70 -23.908 -1.517 -4.704 613 HZ2 LYS 70 1HZ LYS 70 -24.163 -0.564 -6.078 614 HZ3 LYS 70 2HZ LYS 70 -22.655 -0.557 -5.313 615 H ILE 71 HN ILE 71 -19.479 -3.377 -10.207 616 HA ILE 71 HA ILE 71 -20.860 -5.804 -10.695 617 HB ILE 71 HB ILE 71 -19.800 -3.983 -12.844 618 HG12 ILE 71 1HG1 ILE 71 -20.838 -2.524 -11.226 619 HG13 ILE 71 2HG1 ILE 71 -21.939 -2.713 -12.586 620 HG21 ILE 71 1HG2 ILE 71 -21.233 -6.303 -12.990 621 HG22 ILE 71 2HG2 ILE 71 -22.502 -5.080 -13.034 622 HG23 ILE 71 3HG2 ILE 71 -21.204 -5.047 -14.227 623 HD11 ILE 71 3HD1 ILE 71 -22.243 -3.503 -9.783 624 HD12 ILE 71 1HD1 ILE 71 -23.458 -3.062 -10.983 625 HD13 ILE 71 2HD1 ILE 71 -22.792 -4.696 -10.960 626 H VAL 72 HN VAL 72 -17.743 -4.569 -11.904 627 HA VAL 72 HA VAL 72 -16.997 -6.740 -13.451 628 HB VAL 72 HB VAL 72 -15.237 -4.914 -11.812 629 HG11 VAL 72 1HG1 VAL 72 -13.838 -5.863 -14.045 630 HG12 VAL 72 2HG1 VAL 72 -13.533 -6.236 -12.348 631 HG13 VAL 72 3HG1 VAL 72 -14.584 -7.280 -13.306 632 HG21 VAL 72 3HG2 VAL 72 -16.752 -3.950 -13.620 633 HG22 VAL 72 1HG2 VAL 72 -15.031 -3.580 -13.736 634 HG23 VAL 72 2HG2 VAL 72 -15.739 -4.818 -14.774 635 H ASP 73 HN ASP 73 -16.621 -6.243 -9.975 636 HA ASP 73 HA ASP 73 -15.062 -8.555 -9.487 637 HB2 ASP 73 1HB ASP 73 -16.731 -6.748 -7.765 638 HB3 ASP 73 2HB ASP 73 -16.050 -8.229 -7.097 639 H ASP 74 HN ASP 74 -18.549 -7.931 -9.275 640 HA ASP 74 HA ASP 74 -19.336 -10.425 -8.298 641 HB2 ASP 74 1HB ASP 74 -20.684 -8.254 -9.842 642 HB3 ASP 74 2HB ASP 74 -21.501 -9.808 -9.697 643 H THR 75 HN THR 75 -18.761 -9.328 -11.603 644 HA THR 75 HA THR 75 -19.705 -11.673 -12.884 645 HB THR 75 HB THR 75 -17.591 -10.360 -14.370 646 HG1 THR 75 1HG THR 75 -19.726 -8.681 -13.517 647 HG21 THR 75 3HG2 THR 75 -19.026 -10.782 -16.027 648 HG22 THR 75 1HG2 THR 75 -20.297 -9.838 -15.251 649 HG23 THR 75 2HG2 THR 75 -20.076 -11.536 -14.828 650 H TYR 76 HN TYR 76 -16.464 -10.607 -11.905 651 HA TYR 76 HA TYR 76 -15.076 -12.833 -12.942 652 HB2 TYR 76 1HB TYR 76 -14.081 -10.619 -12.218 653 HB3 TYR 76 2HB TYR 76 -14.233 -11.183 -10.557 654 HD1 TYR 76 1HD TYR 76 -13.078 -12.820 -13.718 655 HD2 TYR 76 2HD TYR 76 -12.158 -11.724 -9.711 656 HE1 TYR 76 1HE TYR 76 -10.906 -13.957 -13.912 657 HE2 TYR 76 2HE TYR 76 -9.983 -12.857 -9.894 658 HH TYR 76 HH TYR 76 -9.093 -14.664 -12.804 659 H ARG 77 HN ARG 77 -16.784 -12.284 -9.946 660 HA ARG 77 HA ARG 77 -15.720 -14.549 -8.569 661 HB2 ARG 77 1HB ARG 77 -17.404 -12.359 -7.948 662 HB3 ARG 77 2HB ARG 77 -18.315 -13.819 -7.591 663 HG2 ARG 77 1HG ARG 77 -17.247 -13.930 -5.657 664 HG3 ARG 77 2HG ARG 77 -15.764 -14.268 -6.551 665 HD2 ARG 77 1HD ARG 77 -16.797 -11.529 -5.822 666 HD3 ARG 77 2HD ARG 77 -15.493 -12.386 -5.002 667 HE ARG 77 HE ARG 77 -14.889 -12.189 -7.738 668 HH11 ARG 77 1HH1 ARG 77 -15.164 -10.196 -4.897 669 HH12 ARG 77 2HH1 ARG 77 -14.006 -9.029 -5.444 670 HH21 ARG 77 1HH2 ARG 77 -13.362 -10.659 -8.469 671 HH22 ARG 77 2HH2 ARG 77 -12.982 -9.293 -7.476 672 H LYS 78 HN LYS 78 -18.745 -13.909 -10.315 673 HA LYS 78 HA LYS 78 -19.870 -16.470 -9.888 674 HB2 LYS 78 1HB LYS 78 -21.254 -14.572 -10.513 675 HB3 LYS 78 2HB LYS 78 -20.406 -14.422 -12.046 676 HG2 LYS 78 1HG LYS 78 -21.590 -17.058 -11.566 677 HG3 LYS 78 2HG LYS 78 -22.751 -15.735 -11.691 678 HD2 LYS 78 1HD LYS 78 -20.655 -15.637 -13.721 679 HD3 LYS 78 2HD LYS 78 -21.641 -17.100 -13.800 680 HE2 LYS 78 1HE LYS 78 -23.233 -14.704 -13.384 681 HE3 LYS 78 2HE LYS 78 -22.276 -14.626 -14.863 682 HZ1 LYS 78 3HZ LYS 78 -24.570 -15.657 -15.021 683 HZ2 LYS 78 1HZ LYS 78 -23.926 -16.989 -14.200 684 HZ3 LYS 78 2HZ LYS 78 -23.295 -16.537 -15.702 685 H MET 79 HN MET 79 -17.824 -15.125 -12.422 686 HA MET 79 HA MET 79 -17.984 -17.457 -14.087 687 HB2 MET 79 1HB MET 79 -17.560 -15.338 -15.141 688 HB3 MET 79 2HB MET 79 -16.156 -15.054 -14.122 689 HG2 MET 79 1HG MET 79 -14.850 -16.034 -15.605 690 HG3 MET 79 2HG MET 79 -15.791 -17.520 -15.483 691 HE1 MET 79 3HE MET 79 -16.019 -14.313 -18.729 692 HE2 MET 79 1HE MET 79 -16.452 -13.848 -17.084 693 HE3 MET 79 2HE MET 79 -14.835 -14.463 -17.429 694 H GLN 80 HN GLN 80 -15.620 -16.126 -11.810 695 HA GLN 80 HA GLN 80 -14.332 -18.770 -11.739 696 HB2 GLN 80 1HB GLN 80 -13.070 -16.815 -12.946 697 HB3 GLN 80 2HB GLN 80 -12.725 -16.280 -11.307 698 HG2 GLN 80 1HG GLN 80 -10.899 -17.604 -12.167 699 HG3 GLN 80 2HG GLN 80 -11.681 -18.435 -10.823 700 HE21 GLN 80 1HE2 GLN 80 -11.970 -18.197 -14.354 701 HE22 GLN 80 2HE2 GLN 80 -12.192 -19.890 -14.621 702 H ILE 81 HN ILE 81 -15.965 -18.870 -9.928 703 HA ILE 81 HA ILE 81 -15.907 -17.360 -7.629 704 HB ILE 81 HB ILE 81 -16.286 -20.353 -7.784 705 HG12 ILE 81 1HG1 ILE 81 -18.313 -18.109 -7.907 706 HG13 ILE 81 2HG1 ILE 81 -17.793 -19.087 -9.275 707 HG21 ILE 81 1HG2 ILE 81 -17.596 -20.052 -5.714 708 HG22 ILE 81 2HG2 ILE 81 -15.894 -19.640 -5.509 709 HG23 ILE 81 3HG2 ILE 81 -17.097 -18.361 -5.671 710 HD11 ILE 81 3HD1 ILE 81 -18.589 -21.045 -7.668 711 HD12 ILE 81 1HD1 ILE 81 -19.615 -19.752 -7.047 712 HD13 ILE 81 2HD1 ILE 81 -19.691 -20.195 -8.752 713 H GLN 82 HN GLN 82 -13.636 -19.784 -8.703 714 HA GLN 82 HA GLN 82 -12.220 -19.722 -6.151 715 HB2 GLN 82 1HB GLN 82 -12.511 -21.908 -7.149 716 HB3 GLN 82 2HB GLN 82 -11.782 -21.359 -8.652 717 HG2 GLN 82 1HG GLN 82 -10.146 -22.629 -7.528 718 HG3 GLN 82 2HG GLN 82 -9.675 -20.938 -7.360 719 HE21 GLN 82 1HE2 GLN 82 -10.368 -19.872 -5.328 720 HE22 GLN 82 2HE2 GLN 82 -10.323 -20.804 -3.874 721 H CYS 83 HN CYS 83 -11.327 -17.669 -6.123 722 HA CYS 83 HA CYS 83 -8.820 -17.354 -7.350 723 HB2 CYS 83 1HB CYS 83 -11.079 -16.433 -8.908 724 HB3 CYS 83 2HB CYS 83 -10.013 -15.094 -8.499 725 HG CYS 83 HG CYS 83 -8.950 -15.668 -10.845 726 H ALA 84 HN ALA 84 -11.331 -14.899 -6.795 727 HA ALA 84 HA ALA 84 -11.492 -13.190 -5.301 728 HB1 ALA 84 1HB ALA 84 -11.669 -14.326 -3.378 729 HB2 ALA 84 2HB ALA 84 -10.322 -15.395 -3.771 730 HB3 ALA 84 3HB ALA 84 -10.011 -13.796 -3.095 731 HA PRO 85 HA PRO 85 -7.363 -11.612 -6.701 732 HB2 PRO 85 1HB PRO 85 -8.376 -9.456 -8.003 733 HB3 PRO 85 2HB PRO 85 -8.213 -11.045 -8.759 734 HG2 PRO 85 1HG PRO 85 -10.633 -9.761 -7.553 735 HG3 PRO 85 2HG PRO 85 -10.491 -10.685 -9.059 736 HD2 PRO 85 1HD PRO 85 -11.459 -11.765 -6.772 737 HD3 PRO 85 2HD PRO 85 -10.550 -12.714 -7.966 738 H ASP 86 HN ASP 86 -9.907 -10.573 -4.719 739 HA ASP 86 HA ASP 86 -10.097 -9.029 -3.058 740 HB2 ASP 86 1HB ASP 86 -7.974 -10.224 -2.379 741 HB3 ASP 86 2HB ASP 86 -7.080 -8.906 -3.131 742 H LEU 87 HN LEU 87 -10.406 -7.995 -5.603 743 HA LEU 87 HA LEU 87 -10.566 -6.010 -6.700 744 HB2 LEU 87 1HB LEU 87 -9.405 -4.648 -4.295 745 HB3 LEU 87 2HB LEU 87 -10.562 -4.020 -5.467 746 HG LEU 87 HG LEU 87 -11.828 -6.206 -4.255 747 HD11 LEU 87 1HD1 LEU 87 -10.648 -6.415 -2.334 748 HD12 LEU 87 2HD1 LEU 87 -11.684 -5.075 -1.843 749 HD13 LEU 87 3HD1 LEU 87 -10.038 -4.761 -2.395 750 HD21 LEU 87 3HD2 LEU 87 -13.416 -4.600 -3.582 751 HD22 LEU 87 1HD2 LEU 87 -12.715 -3.975 -5.075 752 HD23 LEU 87 2HD2 LEU 87 -12.209 -3.315 -3.520 753 H ALA 88 HN ALA 88 -8.199 -7.560 -6.985 754 HA ALA 88 HA ALA 88 -6.102 -7.458 -7.867 755 HB1 ALA 88 1HB ALA 88 -5.940 -4.767 -8.741 756 HB2 ALA 88 2HB ALA 88 -6.254 -6.216 -9.696 757 HB3 ALA 88 3HB ALA 88 -7.597 -5.319 -8.988 758 H THR 89 HN THR 89 -6.586 -6.558 -5.057 759 HA THR 89 HA THR 89 -5.333 -5.827 -3.301 760 HB THR 89 HB THR 89 -2.918 -5.169 -4.858 761 HG1 THR 89 1HG THR 89 -2.585 -7.559 -5.090 762 HG21 THR 89 3HG2 THR 89 -2.823 -5.337 -2.454 763 HG22 THR 89 1HG2 THR 89 -1.901 -6.669 -3.151 764 HG23 THR 89 2HG2 THR 89 -3.515 -6.959 -2.500 765 H ARG 90 HN ARG 90 -6.137 -3.928 -2.637 766 HA ARG 90 HA ARG 90 -5.639 -1.512 -4.197 767 HB2 ARG 90 1HB ARG 90 -7.564 -2.308 -2.079 768 HB3 ARG 90 2HB ARG 90 -7.100 -0.613 -2.138 769 HG2 ARG 90 1HG ARG 90 -7.838 -0.467 -4.447 770 HG3 ARG 90 2HG ARG 90 -8.254 -2.182 -4.434 771 HD2 ARG 90 1HD ARG 90 -9.827 -1.677 -2.539 772 HD3 ARG 90 2HD ARG 90 -9.521 0.034 -2.837 773 HE ARG 90 HE ARG 90 -10.281 -1.074 -5.258 774 HH11 ARG 90 1HH1 ARG 90 -11.660 -0.604 -2.096 775 HH12 ARG 90 2HH1 ARG 90 -13.288 -0.494 -2.679 776 HH21 ARG 90 1HH2 ARG 90 -12.420 -0.931 -6.038 777 HH22 ARG 90 2HH2 ARG 90 -13.719 -0.681 -4.922 778 H SER 91 HN SER 91 -3.596 -2.985 -2.527 779 HA SER 91 HA SER 91 -2.990 -1.458 -0.237 780 HB2 SER 91 1HB SER 91 -2.031 -3.675 -0.579 781 HB3 SER 91 2HB SER 91 -1.166 -3.105 -2.006 782 HG SER 91 HG SER 91 0.310 -2.943 -0.429 783 H HIS 92 HN HIS 92 -2.436 -0.932 -3.612 784 HA HIS 92 HA HIS 92 -0.278 0.842 -3.524 785 HB2 HIS 92 1HB HIS 92 -2.621 0.772 -5.435 786 HB3 HIS 92 2HB HIS 92 -1.141 1.690 -5.695 787 HD1 HIS 92 1HD HIS 92 0.434 -0.976 -4.388 788 HD2 HIS 92 2HD HIS 92 -1.868 -0.640 -7.830 789 HE1 HIS 92 1HE HIS 92 1.159 -2.875 -5.869 790 H SER 93 HN SER 93 -3.599 1.915 -4.197 791 HA SER 93 HA SER 93 -3.869 3.685 -2.055 792 HB2 SER 93 1HB SER 93 -2.271 4.697 -4.317 793 HB3 SER 93 2HB SER 93 -3.575 5.764 -3.797 794 HG SER 93 HG SER 93 -1.212 5.376 -2.648 795 H GLY 94 HN GLY 94 -6.002 3.139 -2.073 796 HA2 GLY 94 2HA GLY 94 -7.548 4.030 -4.428 797 HA3 GLY 94 3HA GLY 94 -7.947 2.564 -3.546 798 H SER 95 HN SER 95 -7.582 3.534 -0.925 799 HA SER 95 HA SER 95 -8.636 4.683 0.740 800 HB2 SER 95 1HB SER 95 -9.846 6.636 -1.173 801 HB3 SER 95 2HB SER 95 -9.171 6.911 0.432 802 HG SER 95 HG SER 95 -7.584 7.656 -0.785 803 H ASP 96 HN ASP 96 -10.000 2.853 -1.437 804 HA ASP 96 HA ASP 96 -12.764 3.359 -0.552 805 HB2 ASP 96 1HB ASP 96 -11.697 2.041 -3.051 806 HB3 ASP 96 2HB ASP 96 -13.385 1.933 -2.559 807 H PHE 97 HN PHE 97 -10.164 1.445 0.060 808 HA PHE 97 HA PHE 97 -11.489 -1.095 0.313 809 HB2 PHE 97 1HB PHE 97 -9.368 -1.776 1.459 810 HB3 PHE 97 2HB PHE 97 -9.127 -1.105 -0.151 811 HD1 PHE 97 2HD PHE 97 -8.938 -0.315 3.458 812 HD2 PHE 97 1HD PHE 97 -7.767 0.771 -0.487 813 HE1 PHE 97 2HE PHE 97 -7.348 1.319 4.384 814 HE2 PHE 97 1HE PHE 97 -6.175 2.407 0.432 815 HZ PHE 97 HZ PHE 97 -5.965 2.683 2.871 816 H SER 98 HN SER 98 -11.370 1.726 2.158 817 HA SER 98 HA SER 98 -12.923 0.581 4.255 818 HB2 SER 98 1HB SER 98 -10.020 1.165 4.741 819 HB3 SER 98 2HB SER 98 -11.189 1.384 6.043 820 HG SER 98 HG SER 98 -10.080 -0.873 5.196 821 H PHE 99 HN PHE 99 -13.410 2.632 2.485 822 HA PHE 99 HA PHE 99 -12.831 5.193 3.600 823 HB2 PHE 99 1HB PHE 99 -13.509 4.531 1.159 824 HB3 PHE 99 2HB PHE 99 -15.152 4.708 1.766 825 HD1 PHE 99 2HD PHE 99 -11.941 6.599 2.028 826 HD2 PHE 99 1HD PHE 99 -16.132 6.716 1.294 827 HE1 PHE 99 2HE PHE 99 -11.806 9.029 1.669 828 HE2 PHE 99 1HE PHE 99 -16.004 9.147 0.933 829 HZ PHE 99 HZ PHE 99 -13.840 10.307 1.121 830 H ARG 100 HN ARG 100 -13.489 4.766 5.815 831 HA ARG 100 HA ARG 100 -16.284 5.483 6.220 832 HB2 ARG 100 1HB ARG 100 -14.997 3.080 7.527 833 HB3 ARG 100 2HB ARG 100 -16.554 3.757 7.985 834 HG2 ARG 100 1HG ARG 100 -17.410 3.272 5.736 835 HG3 ARG 100 2HG ARG 100 -15.854 2.552 5.316 836 HD2 ARG 100 1HD ARG 100 -16.379 0.631 6.317 837 HD3 ARG 100 2HD ARG 100 -16.906 1.461 7.781 838 HE ARG 100 HE ARG 100 -18.566 0.484 5.650 839 HH11 ARG 100 1HH1 ARG 100 -18.309 2.786 8.249 840 HH12 ARG 100 2HH1 ARG 100 -20.022 2.957 8.441 841 HH21 ARG 100 1HH2 ARG 100 -20.824 0.700 5.893 842 HH22 ARG 100 2HH2 ARG 100 -21.452 1.770 7.101 843 HA PRO 101 HA PRO 101 -13.537 7.965 8.901 844 HB2 PRO 101 1HB PRO 101 -15.133 10.160 8.849 845 HB3 PRO 101 2HB PRO 101 -13.961 9.794 7.577 846 HG2 PRO 101 1HG PRO 101 -16.915 9.309 7.627 847 HG3 PRO 101 2HG PRO 101 -15.906 9.932 6.309 848 HD2 PRO 101 1HD PRO 101 -16.739 7.358 6.415 849 HD3 PRO 101 2HD PRO 101 -15.184 7.829 5.701 850 H ILE 102 HN ILE 102 -14.466 9.589 10.747 851 HA ILE 102 HA ILE 102 -16.419 7.999 12.279 852 HB ILE 102 HB ILE 102 -14.443 9.766 13.654 853 HG12 ILE 102 1HG1 ILE 102 -13.865 7.152 12.313 854 HG13 ILE 102 2HG1 ILE 102 -12.860 8.593 12.427 855 HG21 ILE 102 1HG2 ILE 102 -15.406 7.071 14.530 856 HG22 ILE 102 2HG2 ILE 102 -14.862 8.434 15.507 857 HG23 ILE 102 3HG2 ILE 102 -16.431 8.495 14.706 858 HD11 ILE 102 3HD1 ILE 102 -12.842 7.986 14.977 859 HD12 ILE 102 1HD1 ILE 102 -13.230 6.377 14.368 860 HD13 ILE 102 2HD1 ILE 102 -11.755 7.188 13.840 861 H GLU 103 HN GLU 103 -17.094 10.137 10.492 862 HA GLU 103 HA GLU 103 -18.463 11.952 10.410 863 HB2 GLU 103 1HB GLU 103 -19.251 10.535 12.665 864 HB3 GLU 103 2HB GLU 103 -19.058 12.181 13.251 865 HG2 GLU 103 1HG GLU 103 -20.459 12.179 10.747 866 HG3 GLU 103 2HG GLU 103 -21.243 11.094 11.893 867 H GLU 104 HN GLU 104 -15.580 12.177 11.102 868 HA GLU 104 HA GLU 104 -14.050 13.748 11.722 869 HB2 GLU 104 1HB GLU 104 -15.572 14.943 10.006 870 HB3 GLU 104 2HB GLU 104 -16.221 15.801 11.396 871 HG2 GLU 104 1HG GLU 104 -14.083 16.738 11.902 872 HG3 GLU 104 2HG GLU 104 -13.302 15.739 10.677 873 H ALA 105 HN ALA 105 -15.251 12.524 13.888 874 HA ALA 105 HA ALA 105 -16.026 14.572 15.792 875 HB1 ALA 105 1HB ALA 105 -16.302 12.700 17.358 876 HB2 ALA 105 2HB ALA 105 -17.185 12.442 15.853 877 HB3 ALA 105 3HB ALA 105 -15.662 11.598 16.138 Start of MODEL 6 1 H1 GLY -5 HN GLY -5 0.478 -2.351 3.203 2 HA2 GLY -5 2HA GLY -5 0.477 -2.883 0.834 3 HA3 GLY -5 3HA GLY -5 -1.075 -2.069 0.710 4 H SER -4 HN SER -4 -0.197 -0.815 -1.016 5 HA SER -4 HA SER -4 1.589 1.337 -0.084 6 HB2 SER -4 1HB SER -4 1.542 1.032 -2.971 7 HB3 SER -4 2HB SER -4 2.920 1.052 -1.871 8 HG SER -4 HG SER -4 3.045 -1.006 -2.215 9 H HIS -3 HN HIS -3 1.383 3.247 -1.818 10 HA HIS -3 HA HIS -3 -1.476 3.915 -1.863 11 HB2 HIS -3 1HB HIS -3 0.969 5.694 -1.939 12 HB3 HIS -3 2HB HIS -3 -0.690 6.275 -2.048 13 HD1 HIS -3 1HD HIS -3 -2.204 5.776 0.132 14 HD2 HIS -3 2HD HIS -3 1.906 5.393 0.602 15 HE1 HIS -3 1HE HIS -3 -1.804 5.832 2.614 16 H MET -2 HN MET -2 -0.687 2.235 -3.873 17 HA MET -2 HA MET -2 -1.105 3.929 -6.205 18 HB2 MET -2 1HB MET -2 1.022 1.802 -6.306 19 HB3 MET -2 2HB MET -2 0.701 3.081 -7.470 20 HG2 MET -2 1HG MET -2 1.471 4.744 -5.860 21 HG3 MET -2 2HG MET -2 1.790 3.464 -4.692 22 HE1 MET -2 3HE MET -2 4.208 5.169 -7.923 23 HE2 MET -2 1HE MET -2 3.247 3.952 -8.764 24 HE3 MET -2 2HE MET -2 2.448 5.190 -7.795 25 H ALA -1 HN ALA -1 -3.208 2.992 -6.112 26 HA ALA -1 HA ALA -1 -3.289 0.186 -7.015 27 HB1 ALA -1 1HB ALA -1 -4.796 -0.278 -5.453 28 HB2 ALA -1 2HB ALA -1 -4.536 1.333 -4.783 29 HB3 ALA -1 3HB ALA -1 -5.813 1.067 -5.969 30 H SER 1 HN SER 1 -3.804 3.368 -7.895 31 HA SER 1 HA SER 1 -6.118 3.420 -9.378 32 HB2 SER 1 1HB SER 1 -4.525 4.895 -10.977 33 HB3 SER 1 2HB SER 1 -5.144 5.482 -9.434 34 HG SER 1 HG SER 1 -2.598 4.361 -9.974 35 H ALA 2 HN ALA 2 -2.890 2.499 -10.581 36 HA ALA 2 HA ALA 2 -3.770 1.683 -13.132 37 HB1 ALA 2 1HB ALA 2 -1.563 0.438 -13.178 38 HB2 ALA 2 2HB ALA 2 -1.478 2.177 -12.893 39 HB3 ALA 2 3HB ALA 2 -1.296 1.052 -11.547 40 H ASP 3 HN ASP 3 -3.908 0.159 -10.055 41 HA ASP 3 HA ASP 3 -4.078 -2.537 -11.031 42 HB2 ASP 3 1HB ASP 3 -3.401 -1.644 -8.653 43 HB3 ASP 3 2HB ASP 3 -5.136 -1.715 -8.354 44 H LEU 4 HN LEU 4 -6.389 -0.098 -9.909 45 HA LEU 4 HA LEU 4 -8.680 -1.754 -10.193 46 HB2 LEU 4 1HB LEU 4 -8.593 0.244 -8.752 47 HB3 LEU 4 2HB LEU 4 -8.493 1.256 -10.191 48 HG LEU 4 HG LEU 4 -10.816 -0.496 -10.221 49 HD11 LEU 4 1HD1 LEU 4 -12.055 0.673 -8.472 50 HD12 LEU 4 2HD1 LEU 4 -10.589 1.533 -8.002 51 HD13 LEU 4 3HD1 LEU 4 -10.686 -0.217 -7.803 52 HD21 LEU 4 3HD2 LEU 4 -10.339 1.490 -11.680 53 HD22 LEU 4 1HD2 LEU 4 -10.630 2.509 -10.271 54 HD23 LEU 4 2HD2 LEU 4 -11.925 1.493 -10.907 55 H VAL 5 HN VAL 5 -7.124 0.646 -12.275 56 HA VAL 5 HA VAL 5 -9.085 0.587 -14.322 57 HB VAL 5 HB VAL 5 -6.171 1.374 -14.453 58 HG11 VAL 5 1HG1 VAL 5 -6.920 2.642 -16.498 59 HG12 VAL 5 2HG1 VAL 5 -6.854 0.888 -16.673 60 HG13 VAL 5 3HG1 VAL 5 -8.406 1.695 -16.444 61 HG21 VAL 5 3HG2 VAL 5 -6.845 3.149 -13.288 62 HG22 VAL 5 1HG2 VAL 5 -7.799 3.618 -14.696 63 HG23 VAL 5 2HG2 VAL 5 -8.537 2.665 -13.407 64 H SER 6 HN SER 6 -5.893 -0.970 -14.048 65 HA SER 6 HA SER 6 -6.012 -2.372 -16.476 66 HB2 SER 6 1HB SER 6 -4.507 -2.994 -13.926 67 HB3 SER 6 2HB SER 6 -4.250 -3.833 -15.455 68 HG SER 6 HG SER 6 -3.626 -1.854 -16.370 69 H SER 7 HN SER 7 -7.116 -3.200 -13.235 70 HA SER 7 HA SER 7 -7.802 -5.897 -13.868 71 HB2 SER 7 1HB SER 7 -7.385 -5.413 -11.574 72 HB3 SER 7 2HB SER 7 -8.532 -4.073 -11.575 73 HG SER 7 HG SER 7 -9.040 -6.490 -10.843 74 H CYS 8 HN CYS 8 -9.759 -2.965 -13.342 75 HA CYS 8 HA CYS 8 -12.235 -4.105 -13.978 76 HB2 CYS 8 1HB CYS 8 -11.209 -1.275 -14.067 77 HB3 CYS 8 2HB CYS 8 -12.861 -1.669 -14.526 78 HG CYS 8 HG CYS 8 -12.841 -3.119 -11.800 79 H LYS 9 HN LYS 9 -9.774 -2.612 -16.009 80 HA LYS 9 HA LYS 9 -11.314 -2.558 -18.390 81 HB2 LYS 9 1HB LYS 9 -9.430 -1.132 -18.324 82 HB3 LYS 9 2HB LYS 9 -8.358 -2.436 -17.830 83 HG2 LYS 9 1HG LYS 9 -9.623 -2.965 -20.385 84 HG3 LYS 9 2HG LYS 9 -8.694 -1.465 -20.388 85 HD2 LYS 9 1HD LYS 9 -7.261 -3.579 -19.037 86 HD3 LYS 9 2HD LYS 9 -7.708 -4.059 -20.676 87 HE2 LYS 9 1HE LYS 9 -6.818 -1.650 -21.260 88 HE3 LYS 9 2HE LYS 9 -5.927 -1.856 -19.753 89 HZ1 LYS 9 3HZ LYS 9 -5.674 -4.200 -21.267 90 HZ2 LYS 9 1HZ LYS 9 -4.466 -3.102 -20.824 91 HZ3 LYS 9 2HZ LYS 9 -5.312 -2.889 -22.273 92 H ASP 10 HN ASP 10 -8.748 -4.776 -17.291 93 HA ASP 10 HA ASP 10 -8.783 -6.551 -19.406 94 HB2 ASP 10 1HB ASP 10 -7.087 -6.734 -17.716 95 HB3 ASP 10 2HB ASP 10 -8.289 -7.054 -16.468 96 H LYS 11 HN LYS 11 -10.815 -6.553 -16.501 97 HA LYS 11 HA LYS 11 -12.235 -8.922 -17.212 98 HB2 LYS 11 1HB LYS 11 -12.282 -6.954 -15.051 99 HB3 LYS 11 2HB LYS 11 -13.884 -7.539 -15.480 100 HG2 LYS 11 1HG LYS 11 -13.352 -9.112 -13.948 101 HG3 LYS 11 2HG LYS 11 -12.626 -9.880 -15.363 102 HD2 LYS 11 1HD LYS 11 -10.858 -10.007 -13.928 103 HD3 LYS 11 2HD LYS 11 -10.543 -8.414 -14.621 104 HE2 LYS 11 1HE LYS 11 -11.455 -7.313 -12.736 105 HE3 LYS 11 2HE LYS 11 -12.161 -8.804 -12.115 106 HZ1 LYS 11 3HZ LYS 11 -10.284 -8.520 -10.821 107 HZ2 LYS 11 1HZ LYS 11 -9.339 -7.951 -12.104 108 HZ3 LYS 11 2HZ LYS 11 -9.735 -9.593 -12.008 109 H LEU 12 HN LEU 12 -13.306 -5.519 -17.060 110 HA LEU 12 HA LEU 12 -15.770 -5.781 -18.234 111 HB2 LEU 12 1HB LEU 12 -15.090 -3.695 -17.303 112 HB3 LEU 12 2HB LEU 12 -13.765 -3.548 -18.456 113 HG LEU 12 HG LEU 12 -16.085 -3.694 -20.011 114 HD11 LEU 12 1HD1 LEU 12 -16.561 -2.351 -17.425 115 HD12 LEU 12 2HD1 LEU 12 -17.697 -3.111 -18.540 116 HD13 LEU 12 3HD1 LEU 12 -17.088 -1.489 -18.871 117 HD21 LEU 12 3HD2 LEU 12 -14.326 -2.373 -20.755 118 HD22 LEU 12 1HD2 LEU 12 -14.175 -1.531 -19.213 119 HD23 LEU 12 2HD2 LEU 12 -15.539 -1.185 -20.276 120 H ALA 13 HN ALA 13 -12.631 -5.507 -19.831 121 HA ALA 13 HA ALA 13 -13.673 -5.386 -22.476 122 HB1 ALA 13 1HB ALA 13 -10.937 -6.049 -21.408 123 HB2 ALA 13 2HB ALA 13 -11.314 -5.955 -23.129 124 HB3 ALA 13 3HB ALA 13 -11.489 -4.527 -22.110 125 H TYR 14 HN TYR 14 -12.385 -8.011 -20.469 126 HA TYR 14 HA TYR 14 -12.725 -9.999 -22.502 127 HB2 TYR 14 1HB TYR 14 -11.029 -10.196 -20.706 128 HB3 TYR 14 2HB TYR 14 -12.324 -10.356 -19.524 129 HD1 TYR 14 2HD TYR 14 -11.147 -11.937 -22.700 130 HD2 TYR 14 1HD TYR 14 -12.969 -12.482 -18.894 131 HE1 TYR 14 2HE TYR 14 -11.174 -14.369 -23.068 132 HE2 TYR 14 1HE TYR 14 -12.999 -14.916 -19.251 133 HH TYR 14 HH TYR 14 -13.012 -16.461 -21.399 134 H PHE 15 HN PHE 15 -14.880 -8.375 -20.557 135 HA PHE 15 HA PHE 15 -16.748 -10.623 -20.357 136 HB2 PHE 15 1HB PHE 15 -16.502 -7.975 -19.005 137 HB3 PHE 15 2HB PHE 15 -18.107 -8.682 -19.157 138 HD1 PHE 15 2HD PHE 15 -17.947 -11.399 -18.631 139 HD2 PHE 15 1HD PHE 15 -15.565 -8.298 -16.949 140 HE1 PHE 15 2HE PHE 15 -17.515 -12.805 -16.658 141 HE2 PHE 15 1HE PHE 15 -15.129 -9.700 -14.974 142 HZ PHE 15 HZ PHE 15 -16.105 -11.956 -14.826 143 H ARG 16 HN ARG 16 -18.602 -10.745 -21.509 144 HA ARG 16 HA ARG 16 -18.866 -9.476 -23.949 145 HB2 ARG 16 1HB ARG 16 -20.105 -11.548 -22.869 146 HB3 ARG 16 2HB ARG 16 -21.335 -10.343 -22.512 147 HG2 ARG 16 1HG ARG 16 -22.015 -10.233 -24.637 148 HG3 ARG 16 2HG ARG 16 -20.367 -10.267 -25.268 149 HD2 ARG 16 1HD ARG 16 -21.887 -12.663 -24.246 150 HD3 ARG 16 2HD ARG 16 -21.698 -12.233 -25.945 151 HE ARG 16 HE ARG 16 -19.193 -12.481 -24.587 152 HH11 ARG 16 1HH1 ARG 16 -21.740 -14.255 -26.163 153 HH12 ARG 16 2HH1 ARG 16 -20.724 -15.592 -26.588 154 HH21 ARG 16 1HH2 ARG 16 -17.845 -14.236 -25.140 155 HH22 ARG 16 2HH2 ARG 16 -18.509 -15.581 -26.005 156 H ILE 17 HN ILE 17 -20.958 -8.207 -24.557 157 HA ILE 17 HA ILE 17 -20.749 -5.623 -23.635 158 HB ILE 17 HB ILE 17 -23.327 -6.807 -24.657 159 HG12 ILE 17 1HG1 ILE 17 -20.745 -6.238 -26.035 160 HG13 ILE 17 2HG1 ILE 17 -21.926 -7.507 -26.343 161 HG21 ILE 17 1HG2 ILE 17 -22.192 -4.049 -25.063 162 HG22 ILE 17 2HG2 ILE 17 -23.818 -4.616 -25.437 163 HG23 ILE 17 3HG2 ILE 17 -23.303 -4.461 -23.757 164 HD11 ILE 17 3HD1 ILE 17 -23.422 -5.561 -27.166 165 HD12 ILE 17 1HD1 ILE 17 -21.900 -4.679 -27.285 166 HD13 ILE 17 2HD1 ILE 17 -22.130 -6.168 -28.201 167 H LYS 18 HN LYS 18 -22.427 -8.289 -22.210 168 HA LYS 18 HA LYS 18 -24.388 -7.143 -20.685 169 HB2 LYS 18 1HB LYS 18 -23.012 -9.592 -20.710 170 HB3 LYS 18 2HB LYS 18 -22.885 -8.999 -19.059 171 HG2 LYS 18 1HG LYS 18 -25.429 -9.409 -20.617 172 HG3 LYS 18 2HG LYS 18 -24.825 -10.419 -19.301 173 HD2 LYS 18 1HD LYS 18 -25.916 -9.121 -17.862 174 HD3 LYS 18 2HD LYS 18 -24.869 -7.778 -18.327 175 HE2 LYS 18 1HE LYS 18 -27.052 -6.990 -18.670 176 HE3 LYS 18 2HE LYS 18 -26.471 -7.422 -20.276 177 HZ1 LYS 18 3HZ LYS 18 -28.514 -8.405 -20.279 178 HZ2 LYS 18 1HZ LYS 18 -28.502 -8.735 -18.620 179 HZ3 LYS 18 2HZ LYS 18 -27.592 -9.689 -19.678 180 H GLU 19 HN GLU 19 -20.943 -7.399 -19.829 181 HA GLU 19 HA GLU 19 -21.069 -6.164 -17.337 182 HB2 GLU 19 1HB GLU 19 -19.010 -6.909 -19.228 183 HB3 GLU 19 2HB GLU 19 -18.625 -5.377 -18.457 184 HG2 GLU 19 1HG GLU 19 -19.167 -8.010 -17.110 185 HG3 GLU 19 2HG GLU 19 -17.636 -7.139 -17.190 186 H LEU 20 HN LEU 20 -20.214 -4.674 -20.464 187 HA LEU 20 HA LEU 20 -20.017 -2.047 -19.575 188 HB2 LEU 20 1HB LEU 20 -21.003 -2.974 -22.268 189 HB3 LEU 20 2HB LEU 20 -20.337 -1.388 -21.888 190 HG LEU 20 HG LEU 20 -18.589 -3.716 -21.358 191 HD11 LEU 20 1HD1 LEU 20 -19.910 -3.809 -23.712 192 HD12 LEU 20 2HD1 LEU 20 -18.268 -4.405 -23.472 193 HD13 LEU 20 3HD1 LEU 20 -18.532 -2.798 -24.150 194 HD21 LEU 20 3HD2 LEU 20 -17.239 -1.964 -21.096 195 HD22 LEU 20 1HD2 LEU 20 -18.399 -0.866 -21.843 196 HD23 LEU 20 2HD2 LEU 20 -17.279 -1.783 -22.850 197 H LYS 21 HN LYS 21 -22.841 -3.864 -20.668 198 HA LYS 21 HA LYS 21 -24.683 -1.759 -20.741 199 HB2 LYS 21 1HB LYS 21 -24.758 -4.499 -21.165 200 HB3 LYS 21 2HB LYS 21 -25.828 -4.265 -19.789 201 HG2 LYS 21 1HG LYS 21 -26.309 -2.301 -21.855 202 HG3 LYS 21 2HG LYS 21 -26.462 -3.950 -22.467 203 HD2 LYS 21 1HD LYS 21 -28.285 -4.397 -21.191 204 HD3 LYS 21 2HD LYS 21 -27.729 -3.388 -19.854 205 HE2 LYS 21 1HE LYS 21 -29.542 -2.191 -20.634 206 HE3 LYS 21 2HE LYS 21 -28.205 -1.423 -21.489 207 HZ1 LYS 21 3HZ LYS 21 -28.709 -2.739 -23.430 208 HZ2 LYS 21 1HZ LYS 21 -30.093 -1.896 -22.945 209 HZ3 LYS 21 2HZ LYS 21 -29.949 -3.548 -22.613 210 H ASP 22 HN ASP 22 -23.711 -3.887 -18.084 211 HA ASP 22 HA ASP 22 -25.565 -2.950 -16.187 212 HB2 ASP 22 1HB ASP 22 -22.911 -4.343 -15.991 213 HB3 ASP 22 2HB ASP 22 -23.735 -3.787 -14.537 214 H ILE 23 HN ILE 23 -22.286 -1.899 -16.997 215 HA ILE 23 HA ILE 23 -21.978 -0.024 -14.928 216 HB ILE 23 HB ILE 23 -20.768 0.048 -17.695 217 HG12 ILE 23 1HG1 ILE 23 -20.214 -2.037 -16.631 218 HG13 ILE 23 2HG1 ILE 23 -18.801 -0.992 -16.536 219 HG21 ILE 23 1HG2 ILE 23 -20.168 2.104 -16.984 220 HG22 ILE 23 2HG2 ILE 23 -20.427 1.709 -15.285 221 HG23 ILE 23 3HG2 ILE 23 -18.942 1.204 -16.091 222 HD11 ILE 23 3HD1 ILE 23 -18.954 -2.005 -14.441 223 HD12 ILE 23 1HD1 ILE 23 -19.614 -0.387 -14.204 224 HD13 ILE 23 2HD1 ILE 23 -20.699 -1.769 -14.355 225 H LEU 24 HN LEU 24 -22.847 0.541 -18.344 226 HA LEU 24 HA LEU 24 -23.434 3.264 -18.064 227 HB2 LEU 24 1HB LEU 24 -24.206 3.191 -20.226 228 HB3 LEU 24 2HB LEU 24 -23.141 1.788 -20.177 229 HG LEU 24 HG LEU 24 -25.403 0.541 -19.595 230 HD11 LEU 24 1HD1 LEU 24 -27.108 2.005 -19.608 231 HD12 LEU 24 2HD1 LEU 24 -27.018 1.801 -21.357 232 HD13 LEU 24 3HD1 LEU 24 -26.232 3.180 -20.589 233 HD21 LEU 24 3HD2 LEU 24 -25.676 0.112 -22.022 234 HD22 LEU 24 1HD2 LEU 24 -24.006 -0.020 -21.470 235 HD23 LEU 24 2HD2 LEU 24 -24.533 1.417 -22.346 236 H ASN 25 HN ASN 25 -25.356 0.406 -17.461 237 HA ASN 25 HA ASN 25 -27.890 1.643 -17.350 238 HB2 ASN 25 1HB ASN 25 -28.213 -0.605 -17.408 239 HB3 ASN 25 2HB ASN 25 -26.729 -0.946 -16.524 240 HD21 ASN 25 1HD2 ASN 25 -26.753 -0.906 -14.264 241 HD22 ASN 25 2HD2 ASN 25 -28.227 -1.032 -13.373 242 H GLN 26 HN GLN 26 -25.480 0.942 -14.843 243 HA GLN 26 HA GLN 26 -27.014 1.970 -12.693 244 HB2 GLN 26 1HB GLN 26 -24.099 1.342 -13.060 245 HB3 GLN 26 2HB GLN 26 -24.679 2.107 -11.586 246 HG2 GLN 26 1HG GLN 26 -25.979 0.247 -11.001 247 HG3 GLN 26 2HG GLN 26 -25.859 -0.449 -12.616 248 HE21 GLN 26 1HE2 GLN 26 -23.255 -0.402 -13.178 249 HE22 GLN 26 2HE2 GLN 26 -22.353 -1.346 -12.046 250 H LEU 27 HN LEU 27 -24.691 3.390 -14.913 251 HA LEU 27 HA LEU 27 -24.431 5.865 -13.531 252 HB2 LEU 27 1HB LEU 27 -22.669 5.581 -14.937 253 HB3 LEU 27 2HB LEU 27 -23.640 4.776 -16.168 254 HG LEU 27 HG LEU 27 -24.538 6.967 -16.856 255 HD11 LEU 27 1HD1 LEU 27 -23.368 7.800 -14.396 256 HD12 LEU 27 2HD1 LEU 27 -24.378 8.719 -15.512 257 HD13 LEU 27 3HD1 LEU 27 -22.626 8.702 -15.718 258 HD21 LEU 27 3HD2 LEU 27 -21.654 6.284 -16.959 259 HD22 LEU 27 1HD2 LEU 27 -22.136 7.883 -17.526 260 HD23 LEU 27 2HD2 LEU 27 -22.832 6.440 -18.263 261 H GLY 28 HN GLY 28 -26.608 4.632 -15.987 262 HA2 GLY 28 2HA GLY 28 -28.735 5.440 -16.492 263 HA3 GLY 28 3HA GLY 28 -28.399 6.862 -15.516 264 H LEU 29 HN LEU 29 -26.557 5.555 -18.248 265 HA LEU 29 HA LEU 29 -27.299 7.921 -19.821 266 HB2 LEU 29 1HB LEU 29 -24.575 7.004 -19.036 267 HB3 LEU 29 2HB LEU 29 -24.798 7.744 -20.619 268 HG LEU 29 HG LEU 29 -25.417 9.035 -17.962 269 HD11 LEU 29 1HD1 LEU 29 -23.291 9.652 -17.910 270 HD12 LEU 29 2HD1 LEU 29 -23.474 10.428 -19.482 271 HD13 LEU 29 3HD1 LEU 29 -22.977 8.739 -19.386 272 HD21 LEU 29 3HD2 LEU 29 -25.597 11.087 -19.451 273 HD22 LEU 29 1HD2 LEU 29 -26.932 9.936 -19.519 274 HD23 LEU 29 2HD2 LEU 29 -25.724 9.963 -20.805 275 HA PRO 30 HA PRO 30 -27.494 3.840 -22.151 276 HB2 PRO 30 1HB PRO 30 -30.133 3.987 -22.772 277 HB3 PRO 30 2HB PRO 30 -29.536 3.237 -21.287 278 HG2 PRO 30 1HG PRO 30 -30.668 5.977 -21.703 279 HG3 PRO 30 2HG PRO 30 -30.975 4.828 -20.389 280 HD2 PRO 30 1HD PRO 30 -29.280 6.923 -20.125 281 HD3 PRO 30 2HD PRO 30 -29.031 5.381 -19.281 282 H LYS 31 HN LYS 31 -26.160 5.223 -23.569 283 HA LYS 31 HA LYS 31 -27.379 5.611 -26.078 284 HB2 LYS 31 1HB LYS 31 -28.130 7.666 -24.669 285 HB3 LYS 31 2HB LYS 31 -26.479 8.224 -24.905 286 HG2 LYS 31 1HG LYS 31 -27.126 7.616 -27.441 287 HG3 LYS 31 2HG LYS 31 -28.716 8.054 -26.812 288 HD2 LYS 31 1HD LYS 31 -28.087 10.154 -27.308 289 HD3 LYS 31 2HD LYS 31 -27.171 10.053 -25.803 290 HE2 LYS 31 1HE LYS 31 -25.705 10.871 -27.502 291 HE3 LYS 31 2HE LYS 31 -25.230 9.214 -27.130 292 HZ1 LYS 31 3HZ LYS 31 -26.787 10.141 -29.480 293 HZ2 LYS 31 1HZ LYS 31 -26.550 8.512 -29.090 294 HZ3 LYS 31 2HZ LYS 31 -25.226 9.488 -29.481 295 H GLN 32 HN GLN 32 -25.310 4.117 -25.662 296 HA GLN 32 HA GLN 32 -22.930 5.702 -26.364 297 HB2 GLN 32 1HB GLN 32 -23.331 3.280 -24.720 298 HB3 GLN 32 2HB GLN 32 -21.918 3.261 -25.767 299 HG2 GLN 32 1HG GLN 32 -20.806 4.603 -24.406 300 HG3 GLN 32 2HG GLN 32 -22.120 5.778 -24.395 301 HE21 GLN 32 1HE2 GLN 32 -23.886 5.393 -22.898 302 HE22 GLN 32 2HE2 GLN 32 -23.559 4.609 -21.394 303 H GLY 33 HN GLY 33 -21.302 4.097 -27.601 304 HA2 GLY 33 2HA GLY 33 -22.721 3.439 -30.062 305 HA3 GLY 33 3HA GLY 33 -20.979 3.566 -29.865 306 H LYS 34 HN LYS 34 -19.994 1.699 -30.193 307 HA LYS 34 HA LYS 34 -21.431 -0.794 -29.652 308 HB2 LYS 34 1HB LYS 34 -18.831 -0.344 -31.130 309 HB3 LYS 34 2HB LYS 34 -19.698 -1.868 -31.009 310 HG2 LYS 34 1HG LYS 34 -20.451 -1.218 -33.037 311 HG3 LYS 34 2HG LYS 34 -21.648 -0.383 -32.044 312 HD2 LYS 34 1HD LYS 34 -19.577 1.420 -32.146 313 HD3 LYS 34 2HD LYS 34 -19.544 0.699 -33.757 314 HE2 LYS 34 1HE LYS 34 -21.858 1.260 -34.107 315 HE3 LYS 34 2HE LYS 34 -22.015 1.826 -32.445 316 HZ1 LYS 34 3HZ LYS 34 -21.091 3.228 -34.735 317 HZ2 LYS 34 1HZ LYS 34 -19.917 3.249 -33.517 318 HZ3 LYS 34 2HZ LYS 34 -21.475 3.825 -33.199 319 H LYS 35 HN LYS 35 -19.514 -2.595 -29.192 320 HA LYS 35 HA LYS 35 -18.987 -2.462 -26.500 321 HB2 LYS 35 1HB LYS 35 -18.149 -4.133 -28.723 322 HB3 LYS 35 2HB LYS 35 -16.877 -3.974 -27.520 323 HG2 LYS 35 1HG LYS 35 -18.825 -4.516 -25.849 324 HG3 LYS 35 2HG LYS 35 -19.566 -5.224 -27.286 325 HD2 LYS 35 1HD LYS 35 -18.357 -6.953 -26.167 326 HD3 LYS 35 2HD LYS 35 -17.456 -6.530 -27.625 327 HE2 LYS 35 1HE LYS 35 -15.877 -5.259 -26.363 328 HE3 LYS 35 2HE LYS 35 -16.852 -5.396 -24.900 329 HZ1 LYS 35 3HZ LYS 35 -16.193 -7.532 -24.547 330 HZ2 LYS 35 1HZ LYS 35 -14.804 -6.952 -25.319 331 HZ3 LYS 35 2HZ LYS 35 -15.935 -7.861 -26.186 332 H GLN 36 HN GLN 36 -17.143 -1.117 -29.142 333 HA GLN 36 HA GLN 36 -14.776 -0.587 -27.649 334 HB2 GLN 36 1HB GLN 36 -15.825 0.087 -30.329 335 HB3 GLN 36 2HB GLN 36 -14.654 1.216 -29.662 336 HG2 GLN 36 1HG GLN 36 -14.196 -1.747 -29.900 337 HG3 GLN 36 2HG GLN 36 -13.675 -0.559 -31.094 338 HE21 GLN 36 1HE2 GLN 36 -13.242 -1.723 -27.830 339 HE22 GLN 36 2HE2 GLN 36 -11.693 -1.003 -27.570 340 H ASP 37 HN ASP 37 -17.575 1.381 -28.590 341 HA ASP 37 HA ASP 37 -16.712 3.803 -27.481 342 HB2 ASP 37 1HB ASP 37 -19.126 2.753 -28.639 343 HB3 ASP 37 2HB ASP 37 -19.520 3.694 -27.203 344 H LEU 38 HN LEU 38 -18.681 1.203 -26.077 345 HA LEU 38 HA LEU 38 -19.120 2.443 -23.588 346 HB2 LEU 38 1HB LEU 38 -18.948 -0.519 -24.087 347 HB3 LEU 38 2HB LEU 38 -19.840 0.305 -22.810 348 HG LEU 38 HG LEU 38 -20.624 0.974 -25.578 349 HD11 LEU 38 1HD1 LEU 38 -22.139 -1.181 -25.358 350 HD12 LEU 38 2HD1 LEU 38 -20.734 -1.781 -24.478 351 HD13 LEU 38 3HD1 LEU 38 -20.561 -1.230 -26.144 352 HD21 LEU 38 3HD2 LEU 38 -22.658 1.376 -24.628 353 HD22 LEU 38 1HD2 LEU 38 -21.629 1.617 -23.216 354 HD23 LEU 38 2HD2 LEU 38 -22.481 0.088 -23.434 355 H ILE 39 HN ILE 39 -16.819 -0.144 -24.452 356 HA ILE 39 HA ILE 39 -15.476 -0.340 -22.054 357 HB ILE 39 HB ILE 39 -14.786 -0.927 -24.865 358 HG12 ILE 39 1HG1 ILE 39 -13.822 -2.843 -23.000 359 HG13 ILE 39 2HG1 ILE 39 -15.402 -2.310 -22.437 360 HG21 ILE 39 1HG2 ILE 39 -12.770 0.196 -24.381 361 HG22 ILE 39 2HG2 ILE 39 -12.693 -0.481 -22.755 362 HG23 ILE 39 3HG2 ILE 39 -12.425 -1.519 -24.155 363 HD11 ILE 39 3HD1 ILE 39 -14.937 -3.179 -25.267 364 HD12 ILE 39 1HD1 ILE 39 -15.325 -4.321 -23.981 365 HD13 ILE 39 2HD1 ILE 39 -16.462 -3.037 -24.391 366 H ASP 40 HN ASP 40 -14.704 1.806 -24.785 367 HA ASP 40 HA ASP 40 -12.489 3.055 -23.573 368 HB2 ASP 40 1HB ASP 40 -13.431 3.092 -26.059 369 HB3 ASP 40 2HB ASP 40 -14.184 4.581 -25.495 370 H ARG 41 HN ARG 41 -15.929 3.640 -23.381 371 HA ARG 41 HA ARG 41 -15.762 6.224 -22.201 372 HB2 ARG 41 1HB ARG 41 -17.860 5.912 -23.052 373 HB3 ARG 41 2HB ARG 41 -17.886 4.200 -22.651 374 HG2 ARG 41 1HG ARG 41 -18.645 4.569 -20.516 375 HG3 ARG 41 2HG ARG 41 -17.991 6.207 -20.453 376 HD2 ARG 41 1HD ARG 41 -19.967 5.928 -22.547 377 HD3 ARG 41 2HD ARG 41 -20.622 5.472 -20.975 378 HE ARG 41 HE ARG 41 -19.340 7.828 -20.506 379 HH11 ARG 41 1HH1 ARG 41 -21.808 6.785 -22.728 380 HH12 ARG 41 2HH1 ARG 41 -22.575 8.336 -22.809 381 HH21 ARG 41 1HH2 ARG 41 -20.341 9.876 -20.604 382 HH22 ARG 41 2HH2 ARG 41 -21.739 10.094 -21.602 383 H VAL 42 HN VAL 42 -16.222 2.963 -20.869 384 HA VAL 42 HA VAL 42 -16.491 3.676 -18.182 385 HB VAL 42 HB VAL 42 -15.368 1.165 -19.423 386 HG11 VAL 42 1HG1 VAL 42 -15.913 1.841 -16.547 387 HG12 VAL 42 2HG1 VAL 42 -15.888 0.177 -17.135 388 HG13 VAL 42 3HG1 VAL 42 -14.443 1.181 -17.261 389 HG21 VAL 42 3HG2 VAL 42 -18.040 2.181 -18.865 390 HG22 VAL 42 1HG2 VAL 42 -17.527 0.854 -19.907 391 HG23 VAL 42 2HG2 VAL 42 -17.755 0.581 -18.180 392 H LEU 43 HN LEU 43 -13.558 2.512 -19.851 393 HA LEU 43 HA LEU 43 -11.784 2.903 -17.739 394 HB2 LEU 43 1HB LEU 43 -11.116 3.219 -20.657 395 HB3 LEU 43 2HB LEU 43 -10.024 2.758 -19.352 396 HG LEU 43 HG LEU 43 -12.212 1.111 -20.604 397 HD11 LEU 43 1HD1 LEU 43 -10.408 -0.407 -21.133 398 HD12 LEU 43 2HD1 LEU 43 -9.253 0.625 -20.289 399 HD13 LEU 43 3HD1 LEU 43 -10.038 1.200 -21.760 400 HD21 LEU 43 3HD2 LEU 43 -12.441 0.634 -18.313 401 HD22 LEU 43 1HD2 LEU 43 -10.698 0.688 -18.043 402 HD23 LEU 43 2HD2 LEU 43 -11.408 -0.647 -18.951 403 H ALA 44 HN ALA 44 -12.773 5.113 -20.321 404 HA ALA 44 HA ALA 44 -11.010 7.214 -19.628 405 HB1 ALA 44 1HB ALA 44 -12.471 8.622 -21.024 406 HB2 ALA 44 2HB ALA 44 -12.030 7.110 -21.820 407 HB3 ALA 44 3HB ALA 44 -13.634 7.298 -21.111 408 H LEU 45 HN LEU 45 -13.981 6.115 -18.281 409 HA LEU 45 HA LEU 45 -14.636 8.606 -16.982 410 HB2 LEU 45 1HB LEU 45 -16.624 7.634 -16.940 411 HB3 LEU 45 2HB LEU 45 -15.922 6.110 -17.479 412 HG LEU 45 HG LEU 45 -15.370 5.712 -15.005 413 HD11 LEU 45 1HD1 LEU 45 -16.361 6.966 -13.370 414 HD12 LEU 45 2HD1 LEU 45 -17.656 7.526 -14.427 415 HD13 LEU 45 3HD1 LEU 45 -16.040 8.217 -14.571 416 HD21 LEU 45 3HD2 LEU 45 -17.426 4.621 -14.667 417 HD22 LEU 45 1HD2 LEU 45 -17.192 4.640 -16.415 418 HD23 LEU 45 2HD2 LEU 45 -18.302 5.785 -15.663 419 H LEU 46 HN LEU 46 -13.280 5.475 -16.027 420 HA LEU 46 HA LEU 46 -12.889 6.357 -13.297 421 HB2 LEU 46 1HB LEU 46 -11.694 3.870 -14.446 422 HB3 LEU 46 2HB LEU 46 -12.260 4.180 -12.806 423 HG LEU 46 HG LEU 46 -14.137 3.961 -15.147 424 HD11 LEU 46 1HD1 LEU 46 -13.816 1.690 -13.280 425 HD12 LEU 46 2HD1 LEU 46 -12.562 1.907 -14.500 426 HD13 LEU 46 3HD1 LEU 46 -14.244 1.705 -14.991 427 HD21 LEU 46 3HD2 LEU 46 -15.081 3.115 -12.553 428 HD22 LEU 46 1HD2 LEU 46 -15.741 4.325 -13.652 429 HD23 LEU 46 2HD2 LEU 46 -14.478 4.772 -12.505 430 H THR 47 HN THR 47 -11.287 6.837 -16.152 431 HA THR 47 HA THR 47 -8.666 7.039 -14.819 432 HB THR 47 HB THR 47 -9.241 6.836 -17.782 433 HG1 THR 47 1HG THR 47 -9.409 4.915 -16.197 434 HG21 THR 47 3HG2 THR 47 -6.775 6.500 -17.939 435 HG22 THR 47 1HG2 THR 47 -6.650 6.939 -16.236 436 HG23 THR 47 2HG2 THR 47 -7.238 8.117 -17.409 437 H ASP 48 HN ASP 48 -10.583 8.621 -17.381 438 HA ASP 48 HA ASP 48 -9.147 11.108 -16.972 439 HB2 ASP 48 1HB ASP 48 -10.733 9.934 -19.078 440 HB3 ASP 48 2HB ASP 48 -11.313 11.556 -18.708 441 H GLU 49 HN GLU 49 -11.753 9.601 -15.556 442 HA GLU 49 HA GLU 49 -12.742 12.166 -14.521 443 HB2 GLU 49 1HB GLU 49 -14.223 10.235 -16.081 444 HB3 GLU 49 2HB GLU 49 -14.937 10.418 -14.485 445 HG2 GLU 49 1HG GLU 49 -15.793 12.398 -14.995 446 HG3 GLU 49 2HG GLU 49 -14.260 12.976 -15.648 447 H GLN 50 HN GLN 50 -10.944 9.906 -13.589 448 HA GLN 50 HA GLN 50 -12.237 8.472 -11.542 449 HB2 GLN 50 1HB GLN 50 -10.191 7.602 -11.105 450 HB3 GLN 50 2HB GLN 50 -9.776 8.364 -12.635 451 HG2 GLN 50 1HG GLN 50 -9.309 9.491 -9.884 452 HG3 GLN 50 2HG GLN 50 -8.091 8.843 -10.982 453 HE21 GLN 50 1HE2 GLN 50 -9.075 9.982 -13.361 454 HE22 GLN 50 2HE2 GLN 50 -8.812 11.687 -13.287 455 H GLY 51 HN GLY 51 -11.465 11.757 -11.784 456 HA2 GLY 51 2HA GLY 51 -12.608 13.046 -9.939 457 HA3 GLY 51 3HA GLY 51 -11.627 12.075 -8.852 458 H GLN 52 HN GLN 52 -10.682 13.580 -11.915 459 HA GLN 52 HA GLN 52 -8.229 14.517 -10.972 460 HB2 GLN 52 1HB GLN 52 -9.818 14.781 -13.391 461 HB3 GLN 52 2HB GLN 52 -8.930 16.255 -13.030 462 HG2 GLN 52 1HG GLN 52 -7.272 13.911 -12.707 463 HG3 GLN 52 2HG GLN 52 -7.971 14.002 -14.323 464 HE21 GLN 52 1HE2 GLN 52 -6.919 16.539 -12.090 465 HE22 GLN 52 2HE2 GLN 52 -5.762 17.245 -13.162 466 H ARG 53 HN ARG 53 -11.313 16.240 -11.365 467 HA ARG 53 HA ARG 53 -11.026 17.834 -9.099 468 HB2 ARG 53 1HB ARG 53 -10.650 20.053 -10.380 469 HB3 ARG 53 2HB ARG 53 -9.256 19.057 -9.986 470 HG2 ARG 53 1HG ARG 53 -9.311 18.128 -12.269 471 HG3 ARG 53 2HG ARG 53 -10.651 19.212 -12.649 472 HD2 ARG 53 1HD ARG 53 -8.676 20.251 -13.455 473 HD3 ARG 53 2HD ARG 53 -9.153 21.121 -11.997 474 HE ARG 53 HE ARG 53 -7.307 19.064 -11.377 475 HH11 ARG 53 1HH1 ARG 53 -7.518 22.233 -12.802 476 HH12 ARG 53 2HH1 ARG 53 -5.888 22.665 -12.401 477 HH21 ARG 53 1HH2 ARG 53 -5.160 19.620 -10.844 478 HH22 ARG 53 2HH2 ARG 53 -4.548 21.177 -11.288 479 H HIS 54 HN HIS 54 -13.200 16.725 -9.533 480 HA HIS 54 HA HIS 54 -15.069 18.776 -10.301 481 HB2 HIS 54 1HB HIS 54 -14.496 17.612 -12.462 482 HB3 HIS 54 2HB HIS 54 -15.188 16.143 -11.780 483 HD1 HIS 54 1HD HIS 54 -16.867 19.396 -11.092 484 HD2 HIS 54 2HD HIS 54 -17.243 16.187 -13.705 485 HE1 HIS 54 1HE HIS 54 -19.116 19.676 -12.182 486 H HIS 55 HN HIS 55 -15.355 18.414 -7.970 487 HA HIS 55 HA HIS 55 -16.249 16.022 -6.843 488 HB2 HIS 55 1HB HIS 55 -16.995 17.331 -4.978 489 HB3 HIS 55 2HB HIS 55 -15.523 18.078 -5.592 490 HD1 HIS 55 1HD HIS 55 -16.644 19.797 -7.845 491 HD2 HIS 55 2HD HIS 55 -18.418 19.469 -4.102 492 HE1 HIS 55 1HE HIS 55 -18.033 21.877 -7.574 493 H GLY 56 HN GLY 56 -18.487 15.682 -5.920 494 HA2 GLY 56 2HA GLY 56 -20.869 16.138 -6.172 495 HA3 GLY 56 3HA GLY 56 -20.546 16.552 -7.850 496 H TRP 57 HN TRP 57 -19.563 13.765 -5.869 497 HA TRP 57 HA TRP 57 -20.822 12.029 -7.891 498 HB2 TRP 57 1HB TRP 57 -18.853 10.666 -6.271 499 HB3 TRP 57 2HB TRP 57 -18.927 10.844 -8.022 500 HD1 TRP 57 HD TRP 57 -17.601 12.942 -9.097 501 HE1 TRP 57 1HE TRP 57 -15.602 14.306 -8.219 502 HE3 TRP 57 3HE TRP 57 -17.786 11.576 -4.174 503 HZ2 TRP 57 2HZ TRP 57 -14.279 14.744 -5.764 504 HZ3 TRP 57 3HZ TRP 57 -16.117 12.512 -2.626 505 HH2 TRP 57 HH TRP 57 -14.401 14.063 -3.407 506 H GLY 58 HN GLY 58 -19.654 11.659 -4.536 507 HA2 GLY 58 2HA GLY 58 -21.171 11.343 -2.688 508 HA3 GLY 58 3HA GLY 58 -22.330 10.655 -3.816 509 H ARG 59 HN ARG 59 -19.698 9.289 -4.923 510 HA ARG 59 HA ARG 59 -18.684 7.262 -4.724 511 HB2 ARG 59 1HB ARG 59 -17.684 6.913 -2.747 512 HB3 ARG 59 2HB ARG 59 -18.505 8.373 -2.211 513 HG2 ARG 59 1HG ARG 59 -20.449 6.741 -1.637 514 HG3 ARG 59 2HG ARG 59 -19.176 5.519 -1.675 515 HD2 ARG 59 1HD ARG 59 -18.936 6.086 0.494 516 HD3 ARG 59 2HD ARG 59 -17.978 7.407 -0.175 517 HE ARG 59 HE ARG 59 -20.453 8.454 -0.139 518 HH11 ARG 59 1HH1 ARG 59 -18.577 6.787 2.274 519 HH12 ARG 59 2HH1 ARG 59 -19.303 7.624 3.605 520 HH21 ARG 59 1HH2 ARG 59 -21.417 9.563 1.605 521 HH22 ARG 59 2HH2 ARG 59 -20.920 9.203 3.224 522 H LYS 60 HN LYS 60 -21.818 7.759 -4.562 523 HA LYS 60 HA LYS 60 -22.438 4.894 -4.489 524 HB2 LYS 60 1HB LYS 60 -23.125 6.473 -2.395 525 HB3 LYS 60 2HB LYS 60 -24.540 6.675 -3.419 526 HG2 LYS 60 1HG LYS 60 -25.325 4.691 -2.827 527 HG3 LYS 60 2HG LYS 60 -23.810 3.901 -3.269 528 HD2 LYS 60 1HD LYS 60 -24.117 5.402 -0.685 529 HD3 LYS 60 2HD LYS 60 -24.587 3.708 -0.837 530 HE2 LYS 60 1HE LYS 60 -22.451 2.991 -0.922 531 HE3 LYS 60 2HE LYS 60 -21.917 4.372 -1.879 532 HZ1 LYS 60 3HZ LYS 60 -21.952 4.018 1.000 533 HZ2 LYS 60 1HZ LYS 60 -22.428 5.547 0.454 534 HZ3 LYS 60 2HZ LYS 60 -20.909 4.933 0.033 535 H ASN 61 HN ASN 61 -22.270 7.470 -6.344 536 HA ASN 61 HA ASN 61 -24.827 7.710 -7.525 537 HB2 ASN 61 1HB ASN 61 -23.311 8.533 -9.530 538 HB3 ASN 61 2HB ASN 61 -23.492 9.504 -8.072 539 HD21 ASN 61 1HD2 ASN 61 -21.614 6.556 -8.387 540 HD22 ASN 61 2HD2 ASN 61 -20.072 7.290 -8.125 541 H SER 62 HN SER 62 -22.620 5.189 -7.574 542 HA SER 62 HA SER 62 -22.500 3.228 -8.722 543 HB2 SER 62 1HB SER 62 -25.080 3.884 -10.119 544 HB3 SER 62 2HB SER 62 -24.477 2.316 -9.581 545 HG SER 62 HG SER 62 -26.181 3.252 -8.263 546 H LEU 63 HN LEU 63 -21.244 5.519 -9.814 547 HA LEU 63 HA LEU 63 -21.030 4.648 -12.583 548 HB2 LEU 63 1HB LEU 63 -21.126 6.964 -13.424 549 HB3 LEU 63 2HB LEU 63 -22.659 6.397 -12.765 550 HG LEU 63 HG LEU 63 -21.887 7.640 -10.612 551 HD11 LEU 63 1HD1 LEU 63 -19.720 8.305 -11.004 552 HD12 LEU 63 2HD1 LEU 63 -20.617 9.758 -11.444 553 HD13 LEU 63 3HD1 LEU 63 -20.025 8.673 -12.702 554 HD21 LEU 63 3HD2 LEU 63 -22.669 9.310 -12.989 555 HD22 LEU 63 1HD2 LEU 63 -23.089 9.558 -11.294 556 HD23 LEU 63 2HD2 LEU 63 -23.782 8.203 -12.185 557 H THR 64 HN THR 64 -19.454 4.797 -9.978 558 HA THR 64 HA THR 64 -17.071 6.130 -11.091 559 HB THR 64 HB THR 64 -16.516 5.886 -8.415 560 HG1 THR 64 1HG THR 64 -18.440 5.534 -7.547 561 HG21 THR 64 3HG2 THR 64 -17.353 8.051 -10.234 562 HG22 THR 64 1HG2 THR 64 -15.936 7.930 -9.193 563 HG23 THR 64 2HG2 THR 64 -17.492 8.406 -8.513 564 H LYS 65 HN LYS 65 -15.057 5.195 -9.713 565 HA LYS 65 HA LYS 65 -14.466 2.711 -10.717 566 HB2 LYS 65 1HB LYS 65 -12.719 2.595 -8.896 567 HB3 LYS 65 2HB LYS 65 -12.694 4.054 -9.877 568 HG2 LYS 65 1HG LYS 65 -14.370 4.323 -7.519 569 HG3 LYS 65 2HG LYS 65 -12.692 3.939 -7.130 570 HD2 LYS 65 1HD LYS 65 -13.365 6.092 -9.105 571 HD3 LYS 65 2HD LYS 65 -13.373 6.417 -7.370 572 HE2 LYS 65 1HE LYS 65 -10.989 4.992 -8.090 573 HE3 LYS 65 2HE LYS 65 -11.170 6.412 -9.119 574 HZ1 LYS 65 3HZ LYS 65 -10.868 6.271 -6.195 575 HZ2 LYS 65 1HZ LYS 65 -11.651 7.599 -6.893 576 HZ3 LYS 65 2HZ LYS 65 -10.050 7.246 -7.308 577 H GLU 66 HN GLU 66 -16.219 3.507 -7.806 578 HA GLU 66 HA GLU 66 -16.073 1.007 -6.520 579 HB2 GLU 66 1HB GLU 66 -17.412 3.493 -6.121 580 HB3 GLU 66 2HB GLU 66 -18.601 2.205 -5.985 581 HG2 GLU 66 1HG GLU 66 -16.709 1.134 -4.470 582 HG3 GLU 66 2HG GLU 66 -16.271 2.829 -4.269 583 H ALA 67 HN ALA 67 -18.526 2.359 -8.711 584 HA ALA 67 HA ALA 67 -20.180 0.067 -8.736 585 HB1 ALA 67 1HB ALA 67 -20.595 2.539 -9.541 586 HB2 ALA 67 2HB ALA 67 -20.084 1.879 -11.094 587 HB3 ALA 67 3HB ALA 67 -21.472 1.186 -10.256 588 H VAL 68 HN VAL 68 -17.780 1.245 -11.094 589 HA VAL 68 HA VAL 68 -17.972 -0.843 -12.921 590 HB VAL 68 HB VAL 68 -15.510 0.754 -12.198 591 HG11 VAL 68 1HG1 VAL 68 -15.572 -0.038 -14.925 592 HG12 VAL 68 2HG1 VAL 68 -14.394 -0.463 -13.682 593 HG13 VAL 68 3HG1 VAL 68 -15.820 -1.472 -13.929 594 HG21 VAL 68 3HG2 VAL 68 -16.178 2.045 -14.267 595 HG22 VAL 68 1HG2 VAL 68 -17.735 1.221 -14.169 596 HG23 VAL 68 2HG2 VAL 68 -17.207 2.269 -12.852 597 H ALA 69 HN ALA 69 -15.861 -0.531 -10.082 598 HA ALA 69 HA ALA 69 -14.613 -3.072 -10.465 599 HB1 ALA 69 1HB ALA 69 -13.766 -2.690 -8.133 600 HB2 ALA 69 2HB ALA 69 -13.384 -1.411 -9.287 601 HB3 ALA 69 3HB ALA 69 -14.686 -1.185 -8.120 602 H LYS 70 HN LYS 70 -17.524 -1.987 -8.957 603 HA LYS 70 HA LYS 70 -17.898 -4.132 -7.145 604 HB2 LYS 70 1HB LYS 70 -19.172 -2.136 -6.823 605 HB3 LYS 70 2HB LYS 70 -19.826 -2.214 -8.453 606 HG2 LYS 70 1HG LYS 70 -21.123 -4.168 -7.884 607 HG3 LYS 70 2HG LYS 70 -20.399 -4.213 -6.275 608 HD2 LYS 70 1HD LYS 70 -22.397 -3.152 -5.841 609 HD3 LYS 70 2HD LYS 70 -21.328 -1.774 -6.110 610 HE2 LYS 70 1HE LYS 70 -22.106 -2.035 -8.592 611 HE3 LYS 70 2HE LYS 70 -23.462 -2.899 -7.871 612 HZ1 LYS 70 3HZ LYS 70 -24.011 -0.977 -6.578 613 HZ2 LYS 70 1HZ LYS 70 -23.884 -0.508 -8.199 614 HZ3 LYS 70 2HZ LYS 70 -22.636 -0.150 -7.115 615 H ILE 71 HN ILE 71 -19.157 -3.544 -10.422 616 HA ILE 71 HA ILE 71 -20.447 -6.090 -10.582 617 HB ILE 71 HB ILE 71 -19.696 -4.381 -12.943 618 HG12 ILE 71 1HG1 ILE 71 -20.731 -2.901 -11.309 619 HG13 ILE 71 2HG1 ILE 71 -21.856 -3.211 -12.627 620 HG21 ILE 71 1HG2 ILE 71 -21.061 -6.798 -12.680 621 HG22 ILE 71 2HG2 ILE 71 -22.314 -5.588 -12.954 622 HG23 ILE 71 3HG2 ILE 71 -20.991 -5.763 -14.107 623 HD11 ILE 71 3HD1 ILE 71 -22.095 -3.782 -9.793 624 HD12 ILE 71 1HD1 ILE 71 -23.339 -3.657 -11.036 625 HD13 ILE 71 2HD1 ILE 71 -22.470 -5.175 -10.808 626 H VAL 72 HN VAL 72 -17.381 -4.763 -11.721 627 HA VAL 72 HA VAL 72 -16.595 -6.961 -13.300 628 HB VAL 72 HB VAL 72 -15.005 -4.813 -11.912 629 HG11 VAL 72 1HG1 VAL 72 -13.267 -6.237 -12.028 630 HG12 VAL 72 2HG1 VAL 72 -14.074 -7.290 -13.192 631 HG13 VAL 72 3HG1 VAL 72 -13.278 -5.815 -13.740 632 HG21 VAL 72 3HG2 VAL 72 -15.274 -5.258 -14.863 633 HG22 VAL 72 1HG2 VAL 72 -16.525 -4.406 -13.956 634 HG23 VAL 72 2HG2 VAL 72 -14.878 -3.776 -13.992 635 H ASP 73 HN ASP 73 -16.116 -6.202 -9.884 636 HA ASP 73 HA ASP 73 -14.430 -8.446 -9.363 637 HB2 ASP 73 1HB ASP 73 -15.962 -6.555 -7.583 638 HB3 ASP 73 2HB ASP 73 -15.022 -7.897 -6.937 639 H ASP 74 HN ASP 74 -17.877 -7.774 -8.889 640 HA ASP 74 HA ASP 74 -18.490 -10.239 -7.641 641 HB2 ASP 74 1HB ASP 74 -20.120 -8.118 -9.005 642 HB3 ASP 74 2HB ASP 74 -20.872 -9.630 -8.503 643 H THR 75 HN THR 75 -18.692 -9.139 -11.005 644 HA THR 75 HA THR 75 -19.803 -11.531 -12.032 645 HB THR 75 HB THR 75 -18.136 -9.487 -13.511 646 HG1 THR 75 1HG THR 75 -20.039 -8.407 -13.846 647 HG21 THR 75 3HG2 THR 75 -18.602 -11.758 -14.587 648 HG22 THR 75 1HG2 THR 75 -19.073 -10.326 -15.502 649 HG23 THR 75 2HG2 THR 75 -20.293 -11.258 -14.634 650 H TYR 76 HN TYR 76 -16.488 -10.389 -11.631 651 HA TYR 76 HA TYR 76 -15.296 -12.584 -13.013 652 HB2 TYR 76 1HB TYR 76 -14.259 -10.293 -12.615 653 HB3 TYR 76 2HB TYR 76 -13.944 -10.826 -10.967 654 HD1 TYR 76 1HD TYR 76 -13.688 -12.823 -14.091 655 HD2 TYR 76 2HD TYR 76 -11.603 -10.931 -10.902 656 HE1 TYR 76 1HE TYR 76 -11.597 -13.881 -14.839 657 HE2 TYR 76 2HE TYR 76 -9.506 -11.982 -11.641 658 HH TYR 76 HH TYR 76 -8.733 -12.949 -14.196 659 H ARG 77 HN ARG 77 -15.586 -11.741 -9.565 660 HA ARG 77 HA ARG 77 -14.358 -14.025 -8.532 661 HB2 ARG 77 1HB ARG 77 -15.250 -13.412 -6.437 662 HB3 ARG 77 2HB ARG 77 -15.031 -11.896 -7.302 663 HG2 ARG 77 1HG ARG 77 -17.417 -11.890 -7.871 664 HG3 ARG 77 2HG ARG 77 -17.624 -13.388 -6.963 665 HD2 ARG 77 1HD ARG 77 -18.227 -11.226 -5.769 666 HD3 ARG 77 2HD ARG 77 -17.156 -12.337 -4.915 667 HE ARG 77 HE ARG 77 -15.796 -10.307 -6.446 668 HH11 ARG 77 1HH1 ARG 77 -17.209 -11.150 -3.377 669 HH12 ARG 77 2HH1 ARG 77 -16.274 -9.997 -2.483 670 HH21 ARG 77 1HH2 ARG 77 -14.560 -8.785 -5.280 671 HH22 ARG 77 2HH2 ARG 77 -14.769 -8.652 -3.566 672 H LYS 78 HN LYS 78 -17.691 -13.447 -9.511 673 HA LYS 78 HA LYS 78 -18.599 -16.020 -8.576 674 HB2 LYS 78 1HB LYS 78 -20.732 -15.347 -9.192 675 HB3 LYS 78 2HB LYS 78 -19.958 -13.813 -8.815 676 HG2 LYS 78 1HG LYS 78 -20.881 -13.225 -10.787 677 HG3 LYS 78 2HG LYS 78 -19.394 -13.935 -11.421 678 HD2 LYS 78 1HD LYS 78 -20.469 -15.907 -12.059 679 HD3 LYS 78 2HD LYS 78 -21.850 -15.606 -11.002 680 HE2 LYS 78 1HE LYS 78 -22.761 -14.021 -12.440 681 HE3 LYS 78 2HE LYS 78 -21.227 -13.746 -13.265 682 HZ1 LYS 78 3HZ LYS 78 -22.992 -15.084 -14.481 683 HZ2 LYS 78 1HZ LYS 78 -22.619 -16.349 -13.420 684 HZ3 LYS 78 2HZ LYS 78 -21.428 -15.728 -14.448 685 H MET 79 HN MET 79 -17.294 -14.690 -11.490 686 HA MET 79 HA MET 79 -18.290 -16.561 -13.344 687 HB2 MET 79 1HB MET 79 -17.334 -14.630 -14.270 688 HB3 MET 79 2HB MET 79 -15.878 -14.771 -13.294 689 HG2 MET 79 1HG MET 79 -14.863 -16.083 -14.784 690 HG3 MET 79 2HG MET 79 -16.315 -17.039 -15.073 691 HE1 MET 79 3HE MET 79 -14.914 -13.323 -17.354 692 HE2 MET 79 1HE MET 79 -14.801 -13.504 -15.603 693 HE3 MET 79 2HE MET 79 -13.863 -14.558 -16.660 694 H GLN 80 HN GLN 80 -15.110 -16.439 -11.729 695 HA GLN 80 HA GLN 80 -15.072 -19.341 -11.599 696 HB2 GLN 80 1HB GLN 80 -13.563 -17.832 -13.561 697 HB3 GLN 80 2HB GLN 80 -12.496 -18.746 -12.502 698 HG2 GLN 80 1HG GLN 80 -13.102 -20.711 -13.379 699 HG3 GLN 80 2HG GLN 80 -14.802 -20.255 -13.484 700 HE21 GLN 80 1HE2 GLN 80 -15.609 -19.876 -15.425 701 HE22 GLN 80 2HE2 GLN 80 -14.693 -19.607 -16.865 702 H ILE 81 HN ILE 81 -14.929 -16.727 -9.934 703 HA ILE 81 HA ILE 81 -13.781 -15.894 -8.127 704 HB ILE 81 HB ILE 81 -13.045 -18.490 -7.048 705 HG12 ILE 81 1HG1 ILE 81 -15.869 -18.092 -8.055 706 HG13 ILE 81 2HG1 ILE 81 -14.744 -19.356 -8.543 707 HG21 ILE 81 1HG2 ILE 81 -15.322 -17.005 -5.935 708 HG22 ILE 81 2HG2 ILE 81 -13.854 -17.589 -5.154 709 HG23 ILE 81 3HG2 ILE 81 -13.824 -16.086 -6.076 710 HD11 ILE 81 3HD1 ILE 81 -15.663 -20.640 -6.997 711 HD12 ILE 81 1HD1 ILE 81 -14.937 -19.593 -5.779 712 HD13 ILE 81 2HD1 ILE 81 -16.582 -19.288 -6.337 713 H GLN 82 HN GLN 82 -11.957 -15.033 -9.208 714 HA GLN 82 HA GLN 82 -9.636 -16.531 -9.804 715 HB2 GLN 82 1HB GLN 82 -10.461 -14.048 -10.438 716 HB3 GLN 82 2HB GLN 82 -9.334 -13.656 -9.147 717 HG2 GLN 82 1HG GLN 82 -8.390 -13.627 -11.470 718 HG3 GLN 82 2HG GLN 82 -7.520 -14.619 -10.301 719 HE21 GLN 82 1HE2 GLN 82 -10.543 -15.468 -11.857 720 HE22 GLN 82 2HE2 GLN 82 -9.920 -16.796 -12.770 721 H CYS 83 HN CYS 83 -7.451 -15.796 -8.778 722 HA CYS 83 HA CYS 83 -7.589 -16.550 -5.997 723 HB2 CYS 83 1HB CYS 83 -5.823 -17.242 -7.799 724 HB3 CYS 83 2HB CYS 83 -5.056 -15.718 -7.369 725 HG CYS 83 HG CYS 83 -4.077 -18.225 -6.088 726 H ALA 84 HN ALA 84 -8.886 -14.228 -6.112 727 HA ALA 84 HA ALA 84 -8.986 -12.076 -5.359 728 HB1 ALA 84 1HB ALA 84 -8.076 -11.738 -3.262 729 HB2 ALA 84 2HB ALA 84 -8.128 -13.499 -3.365 730 HB3 ALA 84 3HB ALA 84 -6.610 -12.644 -3.637 731 HA PRO 85 HA PRO 85 -5.666 -10.541 -8.135 732 HB2 PRO 85 1HB PRO 85 -7.261 -8.734 -9.384 733 HB3 PRO 85 2HB PRO 85 -7.175 -10.433 -9.865 734 HG2 PRO 85 1HG PRO 85 -9.215 -9.045 -8.170 735 HG3 PRO 85 2HG PRO 85 -9.456 -10.242 -9.456 736 HD2 PRO 85 1HD PRO 85 -9.534 -10.890 -6.828 737 HD3 PRO 85 2HD PRO 85 -8.952 -12.015 -8.072 738 H ASP 86 HN ASP 86 -7.442 -9.316 -5.568 739 HA ASP 86 HA ASP 86 -7.257 -7.491 -4.221 740 HB2 ASP 86 1HB ASP 86 -4.535 -6.977 -5.385 741 HB3 ASP 86 2HB ASP 86 -5.087 -6.769 -3.725 742 H LEU 87 HN LEU 87 -8.867 -6.662 -5.922 743 HA LEU 87 HA LEU 87 -8.288 -4.906 -7.943 744 HB2 LEU 87 1HB LEU 87 -10.536 -5.570 -7.559 745 HB3 LEU 87 2HB LEU 87 -10.533 -4.872 -5.941 746 HG LEU 87 HG LEU 87 -9.999 -2.747 -7.696 747 HD11 LEU 87 1HD1 LEU 87 -11.671 -2.797 -9.343 748 HD12 LEU 87 2HD1 LEU 87 -12.436 -4.224 -8.644 749 HD13 LEU 87 3HD1 LEU 87 -10.873 -4.366 -9.448 750 HD21 LEU 87 3HD2 LEU 87 -12.065 -1.876 -6.852 751 HD22 LEU 87 1HD2 LEU 87 -11.262 -2.753 -5.550 752 HD23 LEU 87 2HD2 LEU 87 -12.619 -3.489 -6.403 753 H ALA 88 HN ALA 88 -8.191 -4.329 -4.488 754 HA ALA 88 HA ALA 88 -6.529 -2.033 -4.825 755 HB1 ALA 88 1HB ALA 88 -9.383 -1.627 -3.966 756 HB2 ALA 88 2HB ALA 88 -8.100 -0.470 -3.609 757 HB3 ALA 88 3HB ALA 88 -8.515 -0.837 -5.283 758 H THR 89 HN THR 89 -8.921 -2.705 -2.292 759 HA THR 89 HA THR 89 -7.264 -4.156 -0.568 760 HB THR 89 HB THR 89 -7.246 -1.900 1.040 761 HG1 THR 89 1HG THR 89 -7.504 -0.426 -0.569 762 HG21 THR 89 3HG2 THR 89 -5.032 -2.366 1.222 763 HG22 THR 89 1HG2 THR 89 -4.795 -2.452 -0.523 764 HG23 THR 89 2HG2 THR 89 -5.500 -3.819 0.340 765 H ARG 90 HN ARG 90 -9.852 -1.811 -0.912 766 HA ARG 90 HA ARG 90 -11.922 -1.663 0.018 767 HB2 ARG 90 1HB ARG 90 -11.294 -4.485 -0.042 768 HB3 ARG 90 2HB ARG 90 -12.314 -4.105 1.340 769 HG2 ARG 90 1HG ARG 90 -14.043 -3.293 -0.017 770 HG3 ARG 90 2HG ARG 90 -12.990 -3.172 -1.428 771 HD2 ARG 90 1HD ARG 90 -12.887 -5.853 -0.610 772 HD3 ARG 90 2HD ARG 90 -14.584 -5.386 -0.522 773 HE ARG 90 HE ARG 90 -14.631 -5.217 -2.814 774 HH11 ARG 90 1HH1 ARG 90 -11.335 -5.487 -1.725 775 HH12 ARG 90 2HH1 ARG 90 -10.690 -5.712 -3.318 776 HH21 ARG 90 1HH2 ARG 90 -13.794 -5.512 -4.915 777 HH22 ARG 90 2HH2 ARG 90 -12.090 -5.725 -5.131 778 H SER 91 HN SER 91 -9.388 -1.195 1.603 779 HA SER 91 HA SER 91 -10.715 -0.855 4.172 780 HB2 SER 91 1HB SER 91 -9.635 -2.996 4.487 781 HB3 SER 91 2HB SER 91 -8.115 -2.370 3.850 782 HG SER 91 HG SER 91 -7.815 -2.150 5.963 783 H HIS 92 HN HIS 92 -7.316 -0.684 3.141 784 HA HIS 92 HA HIS 92 -5.794 1.009 3.244 785 HB2 HIS 92 1HB HIS 92 -7.438 1.717 1.378 786 HB3 HIS 92 2HB HIS 92 -8.032 2.894 2.545 787 HD1 HIS 92 1HD HIS 92 -6.568 4.929 3.019 788 HD2 HIS 92 2HD HIS 92 -4.811 2.194 0.431 789 HE1 HIS 92 1HE HIS 92 -4.558 6.101 2.066 790 H SER 93 HN SER 93 -7.298 0.386 5.679 791 HA SER 93 HA SER 93 -7.458 1.135 7.822 792 HB2 SER 93 1HB SER 93 -5.128 1.980 7.268 793 HB3 SER 93 2HB SER 93 -5.865 3.550 6.948 794 HG SER 93 HG SER 93 -5.479 3.765 9.027 795 H GLY 94 HN GLY 94 -9.570 1.720 6.083 796 HA2 GLY 94 2HA GLY 94 -11.316 3.210 7.398 797 HA3 GLY 94 3HA GLY 94 -10.360 4.475 6.641 798 H SER 95 HN SER 95 -12.473 1.729 6.030 799 HA SER 95 HA SER 95 -13.219 2.972 3.476 800 HB2 SER 95 1HB SER 95 -12.844 1.103 2.224 801 HB3 SER 95 2HB SER 95 -11.656 0.772 3.485 802 HG SER 95 HG SER 95 -13.518 -0.820 2.813 803 H ASP 96 HN ASP 96 -14.246 2.295 6.403 804 HA ASP 96 HA ASP 96 -16.244 1.859 7.407 805 HB2 ASP 96 1HB ASP 96 -16.772 3.412 5.027 806 HB3 ASP 96 2HB ASP 96 -18.134 2.355 5.390 807 H PHE 97 HN PHE 97 -14.931 -0.273 5.758 808 HA PHE 97 HA PHE 97 -15.313 -2.447 5.212 809 HB2 PHE 97 1HB PHE 97 -16.573 -2.348 7.407 810 HB3 PHE 97 2HB PHE 97 -18.041 -2.116 6.463 811 HD1 PHE 97 2HD PHE 97 -15.088 -4.403 6.396 812 HD2 PHE 97 1HD PHE 97 -19.319 -3.989 6.195 813 HE1 PHE 97 2HE PHE 97 -15.311 -6.841 6.154 814 HE2 PHE 97 1HE PHE 97 -19.549 -6.427 5.954 815 HZ PHE 97 HZ PHE 97 -17.544 -7.856 5.931 816 H SER 98 HN SER 98 -16.323 -0.112 3.546 817 HA SER 98 HA SER 98 -17.405 0.227 1.573 818 HB2 SER 98 1HB SER 98 -16.733 -2.671 1.558 819 HB3 SER 98 2HB SER 98 -17.873 -2.104 0.337 820 HG SER 98 HG SER 98 -15.951 -1.778 -0.600 821 H PHE 99 HN PHE 99 -19.308 1.042 2.487 822 HA PHE 99 HA PHE 99 -21.460 -0.685 3.264 823 HB2 PHE 99 1HB PHE 99 -21.013 2.247 3.086 824 HB3 PHE 99 2HB PHE 99 -22.682 1.691 3.016 825 HD1 PHE 99 2HD PHE 99 -23.219 -0.181 4.869 826 HD2 PHE 99 1HD PHE 99 -20.199 2.805 5.147 827 HE1 PHE 99 2HE PHE 99 -23.257 -0.376 7.321 828 HE2 PHE 99 1HE PHE 99 -20.232 2.615 7.600 829 HZ PHE 99 HZ PHE 99 -21.763 1.024 8.690 830 H ARG 100 HN ARG 100 -21.311 -1.869 1.130 831 HA ARG 100 HA ARG 100 -22.021 -0.839 -1.322 832 HB2 ARG 100 1HB ARG 100 -21.305 -3.131 -1.096 833 HB3 ARG 100 2HB ARG 100 -22.710 -3.519 -0.112 834 HG2 ARG 100 1HG ARG 100 -24.133 -2.959 -2.102 835 HG3 ARG 100 2HG ARG 100 -22.644 -2.863 -3.044 836 HD2 ARG 100 1HD ARG 100 -22.139 -5.159 -2.605 837 HD3 ARG 100 2HD ARG 100 -23.462 -5.281 -1.446 838 HE ARG 100 HE ARG 100 -24.531 -4.528 -3.915 839 HH11 ARG 100 1HH1 ARG 100 -22.945 -7.254 -2.440 840 HH12 ARG 100 2HH1 ARG 100 -23.719 -8.422 -3.459 841 HH21 ARG 100 1HH2 ARG 100 -25.556 -6.056 -5.263 842 HH22 ARG 100 2HH2 ARG 100 -25.204 -7.739 -5.065 843 HA PRO 101 HA PRO 101 -26.167 0.588 -0.835 844 HB2 PRO 101 1HB PRO 101 -26.842 0.707 -3.462 845 HB3 PRO 101 2HB PRO 101 -25.769 1.882 -2.692 846 HG2 PRO 101 1HG PRO 101 -25.078 -0.502 -4.366 847 HG3 PRO 101 2HG PRO 101 -24.386 1.131 -4.404 848 HD2 PRO 101 1HD PRO 101 -23.162 -0.943 -3.164 849 HD3 PRO 101 2HD PRO 101 -23.024 0.731 -2.588 850 H ILE 102 HN ILE 102 -28.357 0.040 -2.179 851 HA ILE 102 HA ILE 102 -28.602 -2.856 -2.505 852 HB ILE 102 HB ILE 102 -30.661 -1.428 -0.862 853 HG12 ILE 102 1HG1 ILE 102 -27.978 -2.430 0.020 854 HG13 ILE 102 2HG1 ILE 102 -28.843 -0.979 0.515 855 HG21 ILE 102 1HG2 ILE 102 -29.831 -4.280 -0.578 856 HG22 ILE 102 2HG2 ILE 102 -31.402 -3.533 -0.294 857 HG23 ILE 102 3HG2 ILE 102 -30.835 -3.795 -1.944 858 HD11 ILE 102 3HD1 ILE 102 -29.183 -3.792 1.444 859 HD12 ILE 102 1HD1 ILE 102 -28.971 -2.317 2.385 860 HD13 ILE 102 2HD1 ILE 102 -30.510 -2.639 1.586 861 H GLU 103 HN GLU 103 -28.644 -0.695 -4.399 862 HA GLU 103 HA GLU 103 -31.130 0.226 -5.157 863 HB2 GLU 103 1HB GLU 103 -28.543 -0.131 -6.420 864 HB3 GLU 103 2HB GLU 103 -29.854 -0.392 -7.562 865 HG2 GLU 103 1HG GLU 103 -29.018 1.939 -7.490 866 HG3 GLU 103 2HG GLU 103 -30.742 1.781 -7.157 867 H GLU 104 HN GLU 104 -29.607 -2.414 -6.978 868 HA GLU 104 HA GLU 104 -31.642 -4.314 -6.565 869 HB2 GLU 104 1HB GLU 104 -32.901 -4.200 -8.589 870 HB3 GLU 104 2HB GLU 104 -32.928 -2.595 -7.872 871 HG2 GLU 104 1HG GLU 104 -30.828 -2.264 -9.451 872 HG3 GLU 104 2HG GLU 104 -31.629 -3.545 -10.358 873 H ALA 105 HN ALA 105 -31.632 -5.495 -9.158 874 HA ALA 105 HA ALA 105 -29.247 -6.976 -9.038 875 HB1 ALA 105 1HB ALA 105 -31.423 -7.738 -10.019 876 HB2 ALA 105 2HB ALA 105 -31.056 -6.750 -11.434 877 HB3 ALA 105 3HB ALA 105 -30.000 -8.094 -11.000 Start of MODEL 7 1 H1 GLY -5 HN GLY -5 -3.112 6.153 -16.169 2 HA2 GLY -5 2HA GLY -5 -1.027 7.007 -17.726 3 HA3 GLY -5 3HA GLY -5 -1.400 7.694 -16.152 4 H SER -4 HN SER -4 -0.650 6.063 -14.305 5 HA SER -4 HA SER -4 1.770 4.635 -14.827 6 HB2 SER -4 1HB SER -4 3.386 6.096 -14.123 7 HB3 SER -4 2HB SER -4 2.238 7.275 -14.755 8 HG SER -4 HG SER -4 2.695 6.520 -12.072 9 H HIS -3 HN HIS -3 2.957 4.586 -12.404 10 HA HIS -3 HA HIS -3 1.086 3.086 -10.844 11 HB2 HIS -3 1HB HIS -3 3.812 3.924 -9.890 12 HB3 HIS -3 2HB HIS -3 2.916 2.456 -9.509 13 HD1 HIS -3 1HD HIS -3 5.667 3.555 -11.466 14 HD2 HIS -3 2HD HIS -3 2.595 0.817 -12.042 15 HE1 HIS -3 1HE HIS -3 6.461 2.030 -13.301 16 H MET -2 HN MET -2 -0.492 4.679 -10.318 17 HA MET -2 HA MET -2 0.208 6.180 -7.921 18 HB2 MET -2 1HB MET -2 -0.707 7.390 -10.491 19 HB3 MET -2 2HB MET -2 -1.290 8.086 -8.985 20 HG2 MET -2 1HG MET -2 1.108 8.283 -8.269 21 HG3 MET -2 2HG MET -2 1.555 7.832 -9.913 22 HE1 MET -2 3HE MET -2 -1.068 9.350 -11.358 23 HE2 MET -2 1HE MET -2 -0.197 10.776 -11.925 24 HE3 MET -2 2HE MET -2 0.548 9.182 -12.047 25 H ALA -1 HN ALA -1 -1.153 3.937 -7.738 26 HA ALA -1 HA ALA -1 -3.109 2.938 -7.117 27 HB1 ALA -1 1HB ALA -1 -4.188 4.002 -5.415 28 HB2 ALA -1 2HB ALA -1 -2.737 5.001 -5.505 29 HB3 ALA -1 3HB ALA -1 -4.233 5.550 -6.260 30 H SER 1 HN SER 1 -2.951 4.148 -9.839 31 HA SER 1 HA SER 1 -5.846 4.235 -10.355 32 HB2 SER 1 1HB SER 1 -3.736 6.004 -11.614 33 HB3 SER 1 2HB SER 1 -5.407 5.895 -12.167 34 HG SER 1 HG SER 1 -4.799 6.513 -9.484 35 H ALA 2 HN ALA 2 -2.627 3.409 -11.452 36 HA ALA 2 HA ALA 2 -3.363 2.358 -13.980 37 HB1 ALA 2 1HB ALA 2 -0.957 2.360 -12.283 38 HB2 ALA 2 2HB ALA 2 -1.095 1.013 -13.414 39 HB3 ALA 2 3HB ALA 2 -1.132 2.673 -14.010 40 H ASP 3 HN ASP 3 -3.469 1.102 -10.752 41 HA ASP 3 HA ASP 3 -3.639 -1.660 -11.512 42 HB2 ASP 3 1HB ASP 3 -3.643 -0.115 -9.022 43 HB3 ASP 3 2HB ASP 3 -4.719 -1.509 -8.982 44 H LEU 4 HN LEU 4 -5.950 0.845 -10.546 45 HA LEU 4 HA LEU 4 -8.233 -0.842 -10.643 46 HB2 LEU 4 1HB LEU 4 -8.123 1.284 -9.389 47 HB3 LEU 4 2HB LEU 4 -8.079 2.157 -10.920 48 HG LEU 4 HG LEU 4 -10.362 0.683 -11.185 49 HD11 LEU 4 1HD1 LEU 4 -10.656 1.737 -8.429 50 HD12 LEU 4 2HD1 LEU 4 -9.855 0.179 -8.630 51 HD13 LEU 4 3HD1 LEU 4 -11.495 0.410 -9.234 52 HD21 LEU 4 3HD2 LEU 4 -10.423 3.356 -9.840 53 HD22 LEU 4 1HD2 LEU 4 -11.459 2.722 -11.119 54 HD23 LEU 4 2HD2 LEU 4 -9.799 3.193 -11.482 55 H VAL 5 HN VAL 5 -6.734 1.372 -12.959 56 HA VAL 5 HA VAL 5 -8.732 1.123 -14.954 57 HB VAL 5 HB VAL 5 -5.827 1.912 -15.203 58 HG11 VAL 5 1HG1 VAL 5 -8.085 1.983 -17.188 59 HG12 VAL 5 2HG1 VAL 5 -6.647 2.994 -17.345 60 HG13 VAL 5 3HG1 VAL 5 -6.497 1.237 -17.362 61 HG21 VAL 5 3HG2 VAL 5 -6.527 4.144 -15.034 62 HG22 VAL 5 1HG2 VAL 5 -8.221 3.723 -15.285 63 HG23 VAL 5 2HG2 VAL 5 -7.423 3.304 -13.769 64 H SER 6 HN SER 6 -5.521 -0.383 -14.616 65 HA SER 6 HA SER 6 -5.683 -1.999 -16.903 66 HB2 SER 6 1HB SER 6 -4.111 -2.341 -14.343 67 HB3 SER 6 2HB SER 6 -3.904 -3.372 -15.759 68 HG SER 6 HG SER 6 -3.160 -1.643 -16.908 69 H SER 7 HN SER 7 -6.723 -2.533 -13.582 70 HA SER 7 HA SER 7 -7.400 -5.282 -13.956 71 HB2 SER 7 1HB SER 7 -8.159 -3.281 -11.820 72 HB3 SER 7 2HB SER 7 -8.625 -4.982 -11.772 73 HG SER 7 HG SER 7 -5.934 -4.142 -12.030 74 H CYS 8 HN CYS 8 -9.362 -2.322 -13.656 75 HA CYS 8 HA CYS 8 -11.846 -3.518 -14.124 76 HB2 CYS 8 1HB CYS 8 -10.826 -0.712 -14.506 77 HB3 CYS 8 2HB CYS 8 -12.484 -1.146 -14.904 78 HG CYS 8 HG CYS 8 -13.134 -0.307 -12.537 79 H LYS 9 HN LYS 9 -9.460 -2.187 -16.356 80 HA LYS 9 HA LYS 9 -11.057 -2.405 -18.688 81 HB2 LYS 9 1HB LYS 9 -9.198 -0.941 -18.797 82 HB3 LYS 9 2HB LYS 9 -8.087 -2.183 -18.233 83 HG2 LYS 9 1HG LYS 9 -9.414 -2.972 -20.677 84 HG3 LYS 9 2HG LYS 9 -8.558 -1.440 -20.857 85 HD2 LYS 9 1HD LYS 9 -6.973 -3.349 -19.381 86 HD3 LYS 9 2HD LYS 9 -7.463 -4.006 -20.945 87 HE2 LYS 9 1HE LYS 9 -6.383 -1.227 -20.787 88 HE3 LYS 9 2HE LYS 9 -5.271 -2.593 -20.722 89 HZ1 LYS 9 3HZ LYS 9 -5.769 -1.613 -22.990 90 HZ2 LYS 9 1HZ LYS 9 -7.294 -2.333 -22.863 91 HZ3 LYS 9 2HZ LYS 9 -5.901 -3.293 -22.845 92 H ASP 10 HN ASP 10 -8.409 -4.449 -17.454 93 HA ASP 10 HA ASP 10 -8.443 -6.424 -19.375 94 HB2 ASP 10 1HB ASP 10 -6.719 -6.452 -17.729 95 HB3 ASP 10 2HB ASP 10 -7.883 -6.590 -16.415 96 H LYS 11 HN LYS 11 -10.379 -6.272 -16.398 97 HA LYS 11 HA LYS 11 -11.772 -8.694 -16.858 98 HB2 LYS 11 1HB LYS 11 -12.121 -6.348 -15.046 99 HB3 LYS 11 2HB LYS 11 -13.470 -7.460 -15.241 100 HG2 LYS 11 1HG LYS 11 -12.538 -8.652 -13.615 101 HG3 LYS 11 2HG LYS 11 -11.332 -9.138 -14.808 102 HD2 LYS 11 1HD LYS 11 -9.766 -7.616 -14.036 103 HD3 LYS 11 2HD LYS 11 -10.989 -6.580 -13.298 104 HE2 LYS 11 1HE LYS 11 -9.879 -7.643 -11.508 105 HE3 LYS 11 2HE LYS 11 -11.423 -8.477 -11.679 106 HZ1 LYS 11 3HZ LYS 11 -9.282 -9.628 -13.229 107 HZ2 LYS 11 1HZ LYS 11 -10.417 -10.380 -12.224 108 HZ3 LYS 11 2HZ LYS 11 -9.024 -9.690 -11.558 109 H LEU 12 HN LEU 12 -12.879 -5.314 -17.164 110 HA LEU 12 HA LEU 12 -15.360 -5.755 -18.253 111 HB2 LEU 12 1HB LEU 12 -14.710 -3.553 -17.646 112 HB3 LEU 12 2HB LEU 12 -13.368 -3.566 -18.788 113 HG LEU 12 HG LEU 12 -15.668 -3.945 -20.337 114 HD11 LEU 12 1HD1 LEU 12 -17.294 -3.163 -18.973 115 HD12 LEU 12 2HD1 LEU 12 -16.695 -1.607 -19.548 116 HD13 LEU 12 3HD1 LEU 12 -16.172 -2.229 -17.983 117 HD21 LEU 12 3HD2 LEU 12 -13.546 -1.967 -19.957 118 HD22 LEU 12 1HD2 LEU 12 -15.033 -1.309 -20.640 119 HD23 LEU 12 2HD2 LEU 12 -14.213 -2.649 -21.441 120 H ALA 13 HN ALA 13 -12.244 -5.670 -19.920 121 HA ALA 13 HA ALA 13 -13.299 -5.922 -22.542 122 HB1 ALA 13 1HB ALA 13 -10.975 -5.130 -21.854 123 HB2 ALA 13 2HB ALA 13 -10.563 -6.840 -21.716 124 HB3 ALA 13 3HB ALA 13 -11.085 -6.181 -23.266 125 H TYR 14 HN TYR 14 -12.141 -8.259 -20.154 126 HA TYR 14 HA TYR 14 -12.457 -10.511 -21.900 127 HB2 TYR 14 1HB TYR 14 -10.823 -10.492 -20.042 128 HB3 TYR 14 2HB TYR 14 -12.152 -10.439 -18.890 129 HD1 TYR 14 1HD TYR 14 -11.599 -12.480 -21.971 130 HD2 TYR 14 2HD TYR 14 -12.227 -12.456 -17.763 131 HE1 TYR 14 1HE TYR 14 -11.694 -14.938 -21.978 132 HE2 TYR 14 2HE TYR 14 -12.323 -14.913 -17.758 133 HH TYR 14 HH TYR 14 -12.307 -16.760 -20.744 134 H PHE 15 HN PHE 15 -14.589 -8.613 -20.108 135 HA PHE 15 HA PHE 15 -16.544 -10.770 -19.793 136 HB2 PHE 15 1HB PHE 15 -16.303 -7.997 -18.671 137 HB3 PHE 15 2HB PHE 15 -17.862 -8.816 -18.678 138 HD1 PHE 15 2HD PHE 15 -17.593 -11.404 -17.848 139 HD2 PHE 15 1HD PHE 15 -15.161 -8.106 -16.699 140 HE1 PHE 15 2HE PHE 15 -16.983 -12.581 -15.775 141 HE2 PHE 15 1HE PHE 15 -14.546 -9.277 -14.624 142 HZ PHE 15 HZ PHE 15 -15.459 -11.517 -14.159 143 H ARG 16 HN ARG 16 -18.345 -10.931 -21.004 144 HA ARG 16 HA ARG 16 -18.538 -9.740 -23.498 145 HB2 ARG 16 1HB ARG 16 -20.902 -10.748 -21.918 146 HB3 ARG 16 2HB ARG 16 -20.719 -10.705 -23.666 147 HG2 ARG 16 1HG ARG 16 -18.581 -12.229 -22.883 148 HG3 ARG 16 2HG ARG 16 -19.838 -12.700 -21.738 149 HD2 ARG 16 1HD ARG 16 -20.647 -14.043 -23.316 150 HD3 ARG 16 2HD ARG 16 -21.124 -12.596 -24.203 151 HE ARG 16 HE ARG 16 -18.406 -13.270 -24.697 152 HH11 ARG 16 1HH1 ARG 16 -21.678 -14.136 -25.513 153 HH12 ARG 16 2HH1 ARG 16 -21.258 -14.782 -27.065 154 HH21 ARG 16 1HH2 ARG 16 -17.841 -14.117 -26.738 155 HH22 ARG 16 2HH2 ARG 16 -19.075 -14.771 -27.760 156 H ILE 17 HN ILE 17 -20.690 -8.544 -24.162 157 HA ILE 17 HA ILE 17 -20.508 -5.918 -23.344 158 HB ILE 17 HB ILE 17 -23.069 -7.170 -24.326 159 HG12 ILE 17 1HG1 ILE 17 -20.496 -6.603 -25.733 160 HG13 ILE 17 2HG1 ILE 17 -21.625 -7.934 -25.959 161 HG21 ILE 17 1HG2 ILE 17 -23.074 -4.791 -23.526 162 HG22 ILE 17 2HG2 ILE 17 -21.955 -4.421 -24.837 163 HG23 ILE 17 3HG2 ILE 17 -23.574 -5.016 -25.202 164 HD11 ILE 17 3HD1 ILE 17 -21.685 -5.182 -27.089 165 HD12 ILE 17 1HD1 ILE 17 -21.924 -6.736 -27.887 166 HD13 ILE 17 2HD1 ILE 17 -23.196 -6.063 -26.866 167 H LYS 18 HN LYS 18 -22.156 -8.550 -21.824 168 HA LYS 18 HA LYS 18 -24.136 -7.367 -20.350 169 HB2 LYS 18 1HB LYS 18 -23.628 -9.780 -20.315 170 HB3 LYS 18 2HB LYS 18 -22.184 -9.457 -19.364 171 HG2 LYS 18 1HG LYS 18 -24.031 -10.268 -17.985 172 HG3 LYS 18 2HG LYS 18 -23.539 -8.634 -17.531 173 HD2 LYS 18 1HD LYS 18 -25.963 -8.809 -17.567 174 HD3 LYS 18 2HD LYS 18 -25.408 -7.723 -18.843 175 HE2 LYS 18 1HE LYS 18 -26.362 -8.985 -20.406 176 HE3 LYS 18 2HE LYS 18 -25.532 -10.424 -19.817 177 HZ1 LYS 18 3HZ LYS 18 -27.868 -9.444 -18.340 178 HZ2 LYS 18 1HZ LYS 18 -27.295 -11.025 -18.521 179 HZ3 LYS 18 2HZ LYS 18 -28.122 -10.275 -19.791 180 H GLU 19 HN GLU 19 -20.691 -7.565 -19.475 181 HA GLU 19 HA GLU 19 -20.811 -6.272 -17.024 182 HB2 GLU 19 1HB GLU 19 -18.773 -7.058 -18.882 183 HB3 GLU 19 2HB GLU 19 -18.417 -5.442 -18.289 184 HG2 GLU 19 1HG GLU 19 -18.891 -7.890 -16.604 185 HG3 GLU 19 2HG GLU 19 -17.338 -7.120 -16.921 186 H LEU 20 HN LEU 20 -20.024 -4.802 -20.179 187 HA LEU 20 HA LEU 20 -19.963 -2.153 -19.288 188 HB2 LEU 20 1HB LEU 20 -20.818 -3.039 -22.032 189 HB3 LEU 20 2HB LEU 20 -20.061 -1.513 -21.579 190 HG LEU 20 HG LEU 20 -18.390 -3.788 -20.912 191 HD11 LEU 20 1HD1 LEU 20 -18.823 -5.054 -22.704 192 HD12 LEU 20 2HD1 LEU 20 -17.935 -3.822 -23.600 193 HD13 LEU 20 3HD1 LEU 20 -19.696 -3.762 -23.528 194 HD21 LEU 20 3HD2 LEU 20 -16.707 -2.429 -21.715 195 HD22 LEU 20 1HD2 LEU 20 -17.910 -1.246 -21.202 196 HD23 LEU 20 2HD2 LEU 20 -17.753 -1.659 -22.909 197 H LYS 21 HN LYS 21 -22.626 -4.204 -20.251 198 HA LYS 21 HA LYS 21 -24.593 -2.236 -20.616 199 HB2 LYS 21 1HB LYS 21 -24.637 -4.799 -21.094 200 HB3 LYS 21 2HB LYS 21 -25.228 -4.923 -19.442 201 HG2 LYS 21 1HG LYS 21 -26.578 -2.994 -21.244 202 HG3 LYS 21 2HG LYS 21 -26.859 -4.716 -21.512 203 HD2 LYS 21 1HD LYS 21 -27.031 -4.154 -18.713 204 HD3 LYS 21 2HD LYS 21 -28.066 -3.030 -19.596 205 HE2 LYS 21 1HE LYS 21 -28.105 -5.978 -20.159 206 HE3 LYS 21 2HE LYS 21 -29.067 -5.277 -18.858 207 HZ1 LYS 21 3HZ LYS 21 -29.836 -3.679 -20.744 208 HZ2 LYS 21 1HZ LYS 21 -30.534 -5.213 -20.595 209 HZ3 LYS 21 2HZ LYS 21 -29.341 -4.937 -21.761 210 H ASP 22 HN ASP 22 -23.692 -4.097 -17.726 211 HA ASP 22 HA ASP 22 -25.605 -2.936 -16.009 212 HB2 ASP 22 1HB ASP 22 -22.969 -4.305 -15.473 213 HB3 ASP 22 2HB ASP 22 -24.031 -3.747 -14.183 214 H ILE 23 HN ILE 23 -22.272 -2.068 -16.792 215 HA ILE 23 HA ILE 23 -22.000 -0.019 -14.865 216 HB ILE 23 HB ILE 23 -20.583 -0.338 -17.513 217 HG12 ILE 23 1HG1 ILE 23 -20.204 -2.267 -16.119 218 HG13 ILE 23 2HG1 ILE 23 -18.756 -1.267 -16.075 219 HG21 ILE 23 1HG2 ILE 23 -19.931 1.768 -17.059 220 HG22 ILE 23 2HG2 ILE 23 -20.377 1.651 -15.358 221 HG23 ILE 23 3HG2 ILE 23 -18.846 0.978 -15.915 222 HD11 ILE 23 3HD1 ILE 23 -20.880 -1.444 -13.953 223 HD12 ILE 23 1HD1 ILE 23 -19.246 -2.099 -13.875 224 HD13 ILE 23 2HD1 ILE 23 -19.495 -0.354 -13.911 225 H LEU 24 HN LEU 24 -22.585 0.209 -18.379 226 HA LEU 24 HA LEU 24 -23.047 2.971 -18.430 227 HB2 LEU 24 1HB LEU 24 -23.057 2.551 -20.602 228 HB3 LEU 24 2HB LEU 24 -23.082 0.822 -20.260 229 HG LEU 24 HG LEU 24 -25.625 2.409 -20.350 230 HD11 LEU 24 1HD1 LEU 24 -24.276 1.110 -22.712 231 HD12 LEU 24 2HD1 LEU 24 -24.402 2.848 -22.442 232 HD13 LEU 24 3HD1 LEU 24 -25.859 1.888 -22.697 233 HD21 LEU 24 3HD2 LEU 24 -24.836 -0.380 -20.106 234 HD22 LEU 24 1HD2 LEU 24 -26.009 -0.112 -21.395 235 HD23 LEU 24 2HD2 LEU 24 -26.379 0.398 -19.747 236 H ASN 25 HN ASN 25 -25.088 0.320 -17.527 237 HA ASN 25 HA ASN 25 -27.578 1.683 -17.792 238 HB2 ASN 25 1HB ASN 25 -27.957 -0.576 -17.736 239 HB3 ASN 25 2HB ASN 25 -26.648 -0.876 -16.596 240 HD21 ASN 25 1HD2 ASN 25 -27.043 -0.794 -14.420 241 HD22 ASN 25 2HD2 ASN 25 -28.633 -0.682 -13.754 242 H GLN 26 HN GLN 26 -25.367 1.084 -15.088 243 HA GLN 26 HA GLN 26 -27.013 2.466 -13.190 244 HB2 GLN 26 1HB GLN 26 -24.223 1.349 -13.126 245 HB3 GLN 26 2HB GLN 26 -24.841 2.324 -11.799 246 HG2 GLN 26 1HG GLN 26 -26.399 0.740 -11.181 247 HG3 GLN 26 2HG GLN 26 -26.401 -0.026 -12.769 248 HE21 GLN 26 1HE2 GLN 26 -23.842 -0.555 -13.271 249 HE22 GLN 26 2HE2 GLN 26 -23.175 -1.619 -12.084 250 H LEU 27 HN LEU 27 -24.533 3.346 -15.429 251 HA LEU 27 HA LEU 27 -23.681 5.748 -14.191 252 HB2 LEU 27 1HB LEU 27 -23.589 4.752 -17.024 253 HB3 LEU 27 2HB LEU 27 -22.954 6.329 -16.561 254 HG LEU 27 HG LEU 27 -21.981 3.850 -15.192 255 HD11 LEU 27 1HD1 LEU 27 -20.063 4.187 -17.000 256 HD12 LEU 27 2HD1 LEU 27 -21.435 4.714 -17.973 257 HD13 LEU 27 3HD1 LEU 27 -21.428 3.101 -17.262 258 HD21 LEU 27 3HD2 LEU 27 -20.168 6.050 -15.864 259 HD22 LEU 27 1HD2 LEU 27 -20.404 5.195 -14.339 260 HD23 LEU 27 2HD2 LEU 27 -21.497 6.502 -14.795 261 H GLY 28 HN GLY 28 -26.595 4.900 -15.654 262 HA2 GLY 28 2HA GLY 28 -28.456 6.421 -15.490 263 HA3 GLY 28 3HA GLY 28 -27.346 7.744 -15.818 264 H LEU 29 HN LEU 29 -26.876 4.959 -17.733 265 HA LEU 29 HA LEU 29 -27.226 4.495 -19.932 266 HB2 LEU 29 1HB LEU 29 -29.699 5.716 -19.019 267 HB3 LEU 29 2HB LEU 29 -29.412 5.990 -20.736 268 HG LEU 29 HG LEU 29 -29.310 3.241 -19.526 269 HD11 LEU 29 1HD1 LEU 29 -31.733 4.334 -20.898 270 HD12 LEU 29 2HD1 LEU 29 -31.519 4.523 -19.159 271 HD13 LEU 29 3HD1 LEU 29 -31.578 2.910 -19.869 272 HD21 LEU 29 3HD2 LEU 29 -30.223 3.066 -22.095 273 HD22 LEU 29 1HD2 LEU 29 -28.546 2.851 -21.594 274 HD23 LEU 29 2HD2 LEU 29 -29.093 4.417 -22.195 275 HA PRO 30 HA PRO 30 -25.142 8.421 -21.108 276 HB2 PRO 30 1HB PRO 30 -23.077 7.188 -22.368 277 HB3 PRO 30 2HB PRO 30 -23.101 7.483 -20.625 278 HG2 PRO 30 1HG PRO 30 -23.748 4.978 -22.131 279 HG3 PRO 30 2HG PRO 30 -22.806 5.177 -20.642 280 HD2 PRO 30 1HD PRO 30 -25.387 4.357 -20.636 281 HD3 PRO 30 2HD PRO 30 -24.690 5.327 -19.322 282 H LYS 31 HN LYS 31 -23.806 8.411 -23.522 283 HA LYS 31 HA LYS 31 -25.967 8.533 -25.371 284 HB2 LYS 31 1HB LYS 31 -24.190 9.109 -27.023 285 HB3 LYS 31 2HB LYS 31 -24.161 10.109 -25.577 286 HG2 LYS 31 1HG LYS 31 -22.120 9.413 -24.990 287 HG3 LYS 31 2HG LYS 31 -22.462 7.734 -25.415 288 HD2 LYS 31 1HD LYS 31 -22.394 8.881 -27.870 289 HD3 LYS 31 2HD LYS 31 -21.224 9.880 -27.005 290 HE2 LYS 31 1HE LYS 31 -19.722 8.214 -26.873 291 HE3 LYS 31 2HE LYS 31 -20.952 7.003 -26.519 292 HZ1 LYS 31 3HZ LYS 31 -19.714 7.656 -29.012 293 HZ2 LYS 31 1HZ LYS 31 -21.402 7.672 -29.124 294 HZ3 LYS 31 2HZ LYS 31 -20.604 6.284 -28.579 295 H GLN 32 HN GLN 32 -24.430 5.915 -24.204 296 HA GLN 32 HA GLN 32 -24.408 3.725 -24.833 297 HB2 GLN 32 1HB GLN 32 -25.708 4.513 -27.432 298 HB3 GLN 32 2HB GLN 32 -25.790 2.966 -26.600 299 HG2 GLN 32 1HG GLN 32 -26.999 5.534 -25.599 300 HG3 GLN 32 2HG GLN 32 -27.874 4.255 -26.440 301 HE21 GLN 32 1HE2 GLN 32 -25.859 4.859 -23.599 302 HE22 GLN 32 2HE2 GLN 32 -26.643 3.706 -22.579 303 H GLY 33 HN GLY 33 -24.031 2.579 -27.384 304 HA2 GLY 33 2HA GLY 33 -22.383 3.317 -29.250 305 HA3 GLY 33 3HA GLY 33 -21.278 3.474 -27.892 306 H LYS 34 HN LYS 34 -21.110 1.728 -30.232 307 HA LYS 34 HA LYS 34 -21.790 -0.913 -29.733 308 HB2 LYS 34 1HB LYS 34 -19.286 0.078 -31.108 309 HB3 LYS 34 2HB LYS 34 -20.002 -1.519 -31.283 310 HG2 LYS 34 1HG LYS 34 -20.972 -0.654 -33.097 311 HG3 LYS 34 2HG LYS 34 -22.093 0.085 -31.952 312 HD2 LYS 34 1HD LYS 34 -19.905 1.805 -32.013 313 HD3 LYS 34 2HD LYS 34 -20.146 1.327 -33.695 314 HE2 LYS 34 1HE LYS 34 -22.564 2.048 -32.147 315 HE3 LYS 34 2HE LYS 34 -21.457 3.361 -32.547 316 HZ1 LYS 34 3HZ LYS 34 -21.579 2.502 -34.901 317 HZ2 LYS 34 1HZ LYS 34 -22.979 3.243 -34.307 318 HZ3 LYS 34 2HZ LYS 34 -22.891 1.557 -34.404 319 H LYS 35 HN LYS 35 -19.914 -2.643 -29.472 320 HA LYS 35 HA LYS 35 -19.227 -2.774 -26.815 321 HB2 LYS 35 1HB LYS 35 -19.126 -4.738 -28.193 322 HB3 LYS 35 2HB LYS 35 -17.878 -4.028 -29.208 323 HG2 LYS 35 1HG LYS 35 -16.320 -4.924 -27.923 324 HG3 LYS 35 2HG LYS 35 -16.931 -4.018 -26.537 325 HD2 LYS 35 1HD LYS 35 -18.713 -6.160 -26.944 326 HD3 LYS 35 2HD LYS 35 -17.085 -6.830 -27.077 327 HE2 LYS 35 1HE LYS 35 -16.946 -5.118 -24.899 328 HE3 LYS 35 2HE LYS 35 -18.523 -5.890 -24.741 329 HZ1 LYS 35 3HZ LYS 35 -16.054 -6.953 -24.075 330 HZ2 LYS 35 1HZ LYS 35 -16.574 -7.811 -25.438 331 HZ3 LYS 35 2HZ LYS 35 -17.550 -7.742 -24.059 332 H GLN 36 HN GLN 36 -17.331 -1.448 -29.488 333 HA GLN 36 HA GLN 36 -14.963 -0.973 -28.041 334 HB2 GLN 36 1HB GLN 36 -15.973 -0.430 -30.665 335 HB3 GLN 36 2HB GLN 36 -15.236 1.033 -30.026 336 HG2 GLN 36 1HG GLN 36 -13.923 -1.667 -30.243 337 HG3 GLN 36 2HG GLN 36 -13.632 -0.276 -31.287 338 HE21 GLN 36 1HE2 GLN 36 -13.166 -1.630 -28.114 339 HE22 GLN 36 2HE2 GLN 36 -11.930 -0.535 -27.609 340 H ASP 37 HN ASP 37 -17.582 1.280 -28.928 341 HA ASP 37 HA ASP 37 -16.668 3.530 -27.618 342 HB2 ASP 37 1HB ASP 37 -19.148 2.641 -28.766 343 HB3 ASP 37 2HB ASP 37 -19.472 3.492 -27.258 344 H LEU 38 HN LEU 38 -18.759 0.963 -26.317 345 HA LEU 38 HA LEU 38 -19.145 2.001 -23.770 346 HB2 LEU 38 1HB LEU 38 -18.998 -0.823 -24.782 347 HB3 LEU 38 2HB LEU 38 -19.357 -0.451 -23.097 348 HG LEU 38 HG LEU 38 -21.010 0.268 -25.514 349 HD11 LEU 38 1HD1 LEU 38 -21.044 -2.091 -24.542 350 HD12 LEU 38 2HD1 LEU 38 -22.590 -1.261 -24.714 351 HD13 LEU 38 3HD1 LEU 38 -21.818 -1.368 -23.132 352 HD21 LEU 38 3HD2 LEU 38 -22.613 1.171 -23.821 353 HD22 LEU 38 1HD2 LEU 38 -21.140 2.121 -24.016 354 HD23 LEU 38 2HD2 LEU 38 -21.323 1.056 -22.623 355 H ILE 39 HN ILE 39 -16.633 -0.284 -24.850 356 HA ILE 39 HA ILE 39 -15.272 -0.614 -22.477 357 HB ILE 39 HB ILE 39 -14.477 -0.746 -25.334 358 HG12 ILE 39 1HG1 ILE 39 -13.607 -2.806 -23.435 359 HG13 ILE 39 2HG1 ILE 39 -15.348 -2.542 -23.442 360 HG21 ILE 39 1HG2 ILE 39 -12.540 -0.463 -23.064 361 HG22 ILE 39 2HG2 ILE 39 -12.125 -1.363 -24.521 362 HG23 ILE 39 3HG2 ILE 39 -12.539 0.348 -24.630 363 HD11 ILE 39 3HD1 ILE 39 -14.945 -2.680 -26.068 364 HD12 ILE 39 1HD1 ILE 39 -13.588 -3.667 -25.528 365 HD13 ILE 39 2HD1 ILE 39 -15.234 -4.103 -25.067 366 H ASP 40 HN ASP 40 -14.557 1.810 -24.994 367 HA ASP 40 HA ASP 40 -12.552 3.152 -23.561 368 HB2 ASP 40 1HB ASP 40 -13.482 3.325 -26.088 369 HB3 ASP 40 2HB ASP 40 -14.231 4.762 -25.397 370 H ARG 41 HN ARG 41 -16.010 3.300 -23.379 371 HA ARG 41 HA ARG 41 -16.247 5.831 -22.129 372 HB2 ARG 41 1HB ARG 41 -18.001 3.900 -23.074 373 HB3 ARG 41 2HB ARG 41 -18.278 3.896 -21.337 374 HG2 ARG 41 1HG ARG 41 -18.469 6.264 -23.186 375 HG3 ARG 41 2HG ARG 41 -19.804 5.421 -22.397 376 HD2 ARG 41 1HD ARG 41 -19.615 6.927 -20.764 377 HD3 ARG 41 2HD ARG 41 -18.134 6.088 -20.304 378 HE ARG 41 HE ARG 41 -17.383 7.861 -22.258 379 HH11 ARG 41 1HH1 ARG 41 -18.933 8.071 -19.148 380 HH12 ARG 41 2HH1 ARG 41 -18.314 9.651 -18.801 381 HH21 ARG 41 1HH2 ARG 41 -16.562 9.942 -21.813 382 HH22 ARG 41 2HH2 ARG 41 -16.966 10.715 -20.317 383 H VAL 42 HN VAL 42 -16.188 2.525 -20.809 384 HA VAL 42 HA VAL 42 -16.394 3.225 -18.105 385 HB VAL 42 HB VAL 42 -15.204 0.824 -19.473 386 HG11 VAL 42 1HG1 VAL 42 -15.354 1.410 -16.525 387 HG12 VAL 42 2HG1 VAL 42 -15.188 -0.220 -17.180 388 HG13 VAL 42 3HG1 VAL 42 -13.932 0.983 -17.477 389 HG21 VAL 42 3HG2 VAL 42 -17.801 1.557 -18.263 390 HG22 VAL 42 1HG2 VAL 42 -17.441 0.511 -19.637 391 HG23 VAL 42 2HG2 VAL 42 -17.240 -0.093 -17.993 392 H LEU 43 HN LEU 43 -13.476 2.430 -19.998 393 HA LEU 43 HA LEU 43 -11.605 2.932 -17.996 394 HB2 LEU 43 1HB LEU 43 -11.159 3.474 -20.920 395 HB3 LEU 43 2HB LEU 43 -9.964 3.009 -19.711 396 HG LEU 43 HG LEU 43 -12.045 1.300 -21.042 397 HD11 LEU 43 1HD1 LEU 43 -9.727 1.699 -22.012 398 HD12 LEU 43 2HD1 LEU 43 -10.225 0.022 -21.789 399 HD13 LEU 43 3HD1 LEU 43 -9.116 0.773 -20.641 400 HD21 LEU 43 3HD2 LEU 43 -10.558 0.801 -18.478 401 HD22 LEU 43 1HD2 LEU 43 -11.176 -0.509 -19.484 402 HD23 LEU 43 2HD2 LEU 43 -12.290 0.669 -18.788 403 H ALA 44 HN ALA 44 -13.105 5.121 -20.321 404 HA ALA 44 HA ALA 44 -11.510 7.382 -19.676 405 HB1 ALA 44 1HB ALA 44 -12.740 7.183 -21.789 406 HB2 ALA 44 2HB ALA 44 -14.263 7.296 -20.906 407 HB3 ALA 44 3HB ALA 44 -13.152 8.665 -20.926 408 H LEU 45 HN LEU 45 -14.286 5.917 -18.222 409 HA LEU 45 HA LEU 45 -15.105 8.237 -16.739 410 HB2 LEU 45 1HB LEU 45 -16.943 7.009 -16.595 411 HB3 LEU 45 2HB LEU 45 -16.093 5.605 -17.237 412 HG LEU 45 HG LEU 45 -15.308 5.207 -14.833 413 HD11 LEU 45 1HD1 LEU 45 -16.368 6.249 -13.069 414 HD12 LEU 45 2HD1 LEU 45 -17.724 6.786 -14.060 415 HD13 LEU 45 3HD1 LEU 45 -16.156 7.580 -14.207 416 HD21 LEU 45 3HD2 LEU 45 -17.138 3.997 -16.154 417 HD22 LEU 45 1HD2 LEU 45 -18.275 4.949 -15.200 418 HD23 LEU 45 2HD2 LEU 45 -17.157 3.846 -14.397 419 H LEU 46 HN LEU 46 -13.318 5.262 -16.008 420 HA LEU 46 HA LEU 46 -12.838 6.048 -13.279 421 HB2 LEU 46 1HB LEU 46 -11.336 3.893 -14.713 422 HB3 LEU 46 2HB LEU 46 -11.771 3.996 -13.008 423 HG LEU 46 HG LEU 46 -13.774 3.546 -15.215 424 HD11 LEU 46 1HD1 LEU 46 -12.932 1.494 -15.398 425 HD12 LEU 46 2HD1 LEU 46 -13.546 1.205 -13.771 426 HD13 LEU 46 3HD1 LEU 46 -11.875 1.717 -14.003 427 HD21 LEU 46 3HD2 LEU 46 -14.401 2.556 -12.572 428 HD22 LEU 46 1HD2 LEU 46 -15.326 3.627 -13.625 429 HD23 LEU 46 2HD2 LEU 46 -14.089 4.293 -12.558 430 H THR 47 HN THR 47 -11.466 6.817 -16.249 431 HA THR 47 HA THR 47 -8.862 7.455 -15.039 432 HB THR 47 HB THR 47 -9.615 7.335 -17.966 433 HG1 THR 47 1HG THR 47 -9.500 5.265 -17.048 434 HG21 THR 47 3HG2 THR 47 -7.751 8.504 -18.322 435 HG22 THR 47 1HG2 THR 47 -6.833 7.176 -17.611 436 HG23 THR 47 2HG2 THR 47 -7.376 8.514 -16.599 437 H ASP 48 HN ASP 48 -10.942 8.873 -17.569 438 HA ASP 48 HA ASP 48 -9.981 11.514 -17.051 439 HB2 ASP 48 1HB ASP 48 -11.634 10.208 -19.027 440 HB3 ASP 48 2HB ASP 48 -12.380 11.714 -18.499 441 H GLU 49 HN GLU 49 -12.260 9.560 -15.538 442 HA GLU 49 HA GLU 49 -13.425 11.903 -14.196 443 HB2 GLU 49 1HB GLU 49 -14.801 9.874 -15.730 444 HB3 GLU 49 2HB GLU 49 -15.357 9.876 -14.062 445 HG2 GLU 49 1HG GLU 49 -16.073 12.107 -14.188 446 HG3 GLU 49 2HG GLU 49 -15.183 12.393 -15.682 447 H GLN 50 HN GLN 50 -11.229 9.965 -13.566 448 HA GLN 50 HA GLN 50 -11.930 8.103 -11.645 449 HB2 GLN 50 1HB GLN 50 -9.676 8.130 -10.943 450 HB3 GLN 50 2HB GLN 50 -9.636 8.544 -12.651 451 HG2 GLN 50 1HG GLN 50 -9.757 10.759 -10.679 452 HG3 GLN 50 2HG GLN 50 -8.241 9.878 -10.857 453 HE21 GLN 50 1HE2 GLN 50 -10.515 12.011 -12.366 454 HE22 GLN 50 2HE2 GLN 50 -9.529 12.444 -13.717 455 H GLY 51 HN GLY 51 -12.029 11.536 -11.472 456 HA2 GLY 51 2HA GLY 51 -13.516 11.667 -9.143 457 HA3 GLY 51 3HA GLY 51 -11.837 11.813 -8.645 458 H GLN 52 HN GLN 52 -13.463 13.056 -11.545 459 HA GLN 52 HA GLN 52 -12.428 15.713 -10.898 460 HB2 GLN 52 1HB GLN 52 -13.230 14.315 -13.390 461 HB3 GLN 52 2HB GLN 52 -13.492 16.053 -13.336 462 HG2 GLN 52 1HG GLN 52 -10.866 15.391 -12.366 463 HG3 GLN 52 2HG GLN 52 -11.136 14.712 -13.970 464 HE21 GLN 52 1HE2 GLN 52 -12.244 17.706 -12.432 465 HE22 GLN 52 2HE2 GLN 52 -11.591 18.766 -13.629 466 H ARG 53 HN ARG 53 -14.637 14.713 -9.394 467 HA ARG 53 HA ARG 53 -16.552 16.831 -9.970 468 HB2 ARG 53 1HB ARG 53 -17.534 14.026 -9.463 469 HB3 ARG 53 2HB ARG 53 -18.474 15.430 -9.950 470 HG2 ARG 53 1HG ARG 53 -17.156 15.416 -12.100 471 HG3 ARG 53 2HG ARG 53 -16.532 13.843 -11.602 472 HD2 ARG 53 1HD ARG 53 -18.329 12.985 -12.615 473 HD3 ARG 53 2HD ARG 53 -19.241 13.576 -11.227 474 HE ARG 53 HE ARG 53 -18.944 15.590 -13.213 475 HH11 ARG 53 1HH1 ARG 53 -20.738 12.717 -12.408 476 HH12 ARG 53 2HH1 ARG 53 -22.130 13.169 -13.335 477 HH21 ARG 53 1HH2 ARG 53 -20.771 16.196 -14.437 478 HH22 ARG 53 2HH2 ARG 53 -22.147 15.148 -14.489 479 H HIS 54 HN HIS 54 -14.507 15.788 -7.882 480 HA HIS 54 HA HIS 54 -14.256 15.787 -5.618 481 HB2 HIS 54 1HB HIS 54 -14.973 18.105 -5.876 482 HB3 HIS 54 2HB HIS 54 -16.662 17.613 -5.805 483 HD1 HIS 54 1HD HIS 54 -17.682 17.957 -3.590 484 HD2 HIS 54 2HD HIS 54 -13.595 17.269 -3.306 485 HE1 HIS 54 1HE HIS 54 -17.139 18.139 -1.141 486 H HIS 55 HN HIS 55 -14.700 13.617 -5.227 487 HA HIS 55 HA HIS 55 -17.185 12.400 -5.073 488 HB2 HIS 55 1HB HIS 55 -16.123 10.633 -3.879 489 HB3 HIS 55 2HB HIS 55 -14.916 11.281 -4.985 490 HD1 HIS 55 1HD HIS 55 -15.741 10.998 -1.352 491 HD2 HIS 55 2HD HIS 55 -12.734 12.544 -3.766 492 HE1 HIS 55 1HE HIS 55 -13.837 11.530 0.203 493 H GLY 56 HN GLY 56 -18.085 11.456 -2.935 494 HA2 GLY 56 2HA GLY 56 -18.299 11.972 -0.511 495 HA3 GLY 56 3HA GLY 56 -18.275 13.665 -0.981 496 H TRP 57 HN TRP 57 -20.017 10.959 -2.467 497 HA TRP 57 HA TRP 57 -22.527 12.383 -1.870 498 HB2 TRP 57 1HB TRP 57 -22.766 10.482 -4.036 499 HB3 TRP 57 2HB TRP 57 -23.119 12.208 -4.022 500 HD1 TRP 57 HD TRP 57 -21.118 13.871 -4.769 501 HE1 TRP 57 1HE TRP 57 -19.057 13.468 -6.257 502 HE3 TRP 57 3HE TRP 57 -21.047 8.759 -4.691 503 HZ2 TRP 57 2HZ TRP 57 -17.595 11.274 -7.266 504 HZ3 TRP 57 3HZ TRP 57 -19.284 7.586 -5.944 505 HH2 TRP 57 HH TRP 57 -17.596 8.819 -7.205 506 H GLY 58 HN GLY 58 -21.729 9.088 -2.973 507 HA2 GLY 58 2HA GLY 58 -22.021 7.080 -1.800 508 HA3 GLY 58 3HA GLY 58 -22.814 7.973 -0.511 509 H ARG 59 HN ARG 59 -24.746 9.320 -2.069 510 HA ARG 59 HA ARG 59 -26.608 7.129 -2.468 511 HB2 ARG 59 1HB ARG 59 -26.802 9.834 -1.612 512 HB3 ARG 59 2HB ARG 59 -27.780 9.664 -3.064 513 HG2 ARG 59 1HG ARG 59 -28.005 7.802 -0.717 514 HG3 ARG 59 2HG ARG 59 -28.962 9.276 -0.877 515 HD2 ARG 59 1HD ARG 59 -30.371 7.675 -1.769 516 HD3 ARG 59 2HD ARG 59 -29.579 8.320 -3.206 517 HE ARG 59 HE ARG 59 -28.548 6.292 -3.518 518 HH11 ARG 59 1HH1 ARG 59 -29.971 6.401 -0.343 519 HH12 ARG 59 2HH1 ARG 59 -29.711 4.718 -0.026 520 HH21 ARG 59 1HH2 ARG 59 -28.200 4.075 -3.113 521 HH22 ARG 59 2HH2 ARG 59 -28.703 3.396 -1.602 522 H LYS 60 HN LYS 60 -24.351 8.131 -4.380 523 HA LYS 60 HA LYS 60 -25.777 7.502 -6.786 524 HB2 LYS 60 1HB LYS 60 -25.231 9.589 -7.980 525 HB3 LYS 60 2HB LYS 60 -26.344 9.863 -6.646 526 HG2 LYS 60 1HG LYS 60 -24.361 10.554 -5.269 527 HG3 LYS 60 2HG LYS 60 -23.408 10.500 -6.754 528 HD2 LYS 60 1HD LYS 60 -25.943 12.048 -6.792 529 HD3 LYS 60 2HD LYS 60 -24.578 12.729 -5.903 530 HE2 LYS 60 1HE LYS 60 -23.195 12.354 -7.977 531 HE3 LYS 60 2HE LYS 60 -24.699 11.976 -8.816 532 HZ1 LYS 60 3HZ LYS 60 -23.594 14.486 -8.337 533 HZ2 LYS 60 1HZ LYS 60 -25.009 14.392 -7.415 534 HZ3 LYS 60 2HZ LYS 60 -25.069 14.127 -9.084 535 H ASN 61 HN ASN 61 -23.597 6.372 -5.359 536 HA ASN 61 HA ASN 61 -21.170 7.062 -6.767 537 HB2 ASN 61 1HB ASN 61 -20.176 6.076 -5.020 538 HB3 ASN 61 2HB ASN 61 -21.774 5.792 -4.337 539 HD21 ASN 61 1HD2 ASN 61 -22.893 3.838 -5.498 540 HD22 ASN 61 2HD2 ASN 61 -21.921 2.412 -5.580 541 H SER 62 HN SER 62 -23.816 5.534 -7.765 542 HA SER 62 HA SER 62 -22.730 3.147 -8.915 543 HB2 SER 62 1HB SER 62 -25.229 4.481 -9.914 544 HB3 SER 62 2HB SER 62 -24.865 2.761 -9.783 545 HG SER 62 HG SER 62 -26.252 4.099 -8.105 546 H LEU 63 HN LEU 63 -20.930 4.895 -9.666 547 HA LEU 63 HA LEU 63 -20.833 4.728 -12.446 548 HB2 LEU 63 1HB LEU 63 -20.925 7.266 -12.867 549 HB3 LEU 63 2HB LEU 63 -22.434 6.362 -12.760 550 HG LEU 63 HG LEU 63 -21.664 7.417 -10.181 551 HD11 LEU 63 1HD1 LEU 63 -20.602 9.101 -11.765 552 HD12 LEU 63 2HD1 LEU 63 -21.743 9.727 -10.575 553 HD13 LEU 63 3HD1 LEU 63 -22.248 9.512 -12.251 554 HD21 LEU 63 3HD2 LEU 63 -23.987 8.594 -10.762 555 HD22 LEU 63 1HD2 LEU 63 -23.872 6.905 -10.267 556 HD23 LEU 63 2HD2 LEU 63 -24.016 7.314 -11.976 557 H THR 64 HN THR 64 -19.217 4.430 -10.041 558 HA THR 64 HA THR 64 -16.914 6.041 -10.897 559 HB THR 64 HB THR 64 -16.897 5.446 -8.034 560 HG1 THR 64 1HG THR 64 -19.118 5.917 -8.229 561 HG21 THR 64 3HG2 THR 64 -15.553 7.110 -9.678 562 HG22 THR 64 1HG2 THR 64 -15.696 7.364 -7.940 563 HG23 THR 64 2HG2 THR 64 -16.772 8.217 -9.047 564 H LYS 65 HN LYS 65 -14.901 5.121 -9.531 565 HA LYS 65 HA LYS 65 -14.251 2.664 -10.590 566 HB2 LYS 65 1HB LYS 65 -12.469 2.582 -8.811 567 HB3 LYS 65 2HB LYS 65 -12.511 4.063 -9.759 568 HG2 LYS 65 1HG LYS 65 -13.818 5.115 -7.909 569 HG3 LYS 65 2HG LYS 65 -13.524 3.659 -6.956 570 HD2 LYS 65 1HD LYS 65 -11.238 5.131 -8.208 571 HD3 LYS 65 2HD LYS 65 -11.941 5.704 -6.694 572 HE2 LYS 65 1HE LYS 65 -11.548 2.890 -6.507 573 HE3 LYS 65 2HE LYS 65 -10.056 3.625 -7.091 574 HZ1 LYS 65 3HZ LYS 65 -11.326 5.006 -4.886 575 HZ2 LYS 65 1HZ LYS 65 -9.694 4.638 -5.140 576 HZ3 LYS 65 2HZ LYS 65 -10.737 3.464 -4.514 577 H GLU 66 HN GLU 66 -15.823 3.392 -7.531 578 HA GLU 66 HA GLU 66 -15.650 0.831 -6.380 579 HB2 GLU 66 1HB GLU 66 -16.932 3.327 -5.787 580 HB3 GLU 66 2HB GLU 66 -18.085 2.020 -5.558 581 HG2 GLU 66 1HG GLU 66 -16.284 0.882 -4.174 582 HG3 GLU 66 2HG GLU 66 -15.444 2.432 -4.200 583 H ALA 67 HN ALA 67 -18.144 2.327 -8.410 584 HA ALA 67 HA ALA 67 -19.952 0.167 -8.363 585 HB1 ALA 67 1HB ALA 67 -19.605 2.186 -10.573 586 HB2 ALA 67 2HB ALA 67 -21.047 1.236 -10.211 587 HB3 ALA 67 3HB ALA 67 -20.504 2.480 -9.084 588 H VAL 68 HN VAL 68 -17.565 1.111 -10.840 589 HA VAL 68 HA VAL 68 -17.951 -0.996 -12.599 590 HB VAL 68 HB VAL 68 -15.359 0.421 -11.963 591 HG11 VAL 68 1HG1 VAL 68 -16.155 -1.362 -14.254 592 HG12 VAL 68 2HG1 VAL 68 -14.772 -0.266 -14.314 593 HG13 VAL 68 3HG1 VAL 68 -14.813 -1.572 -13.129 594 HG21 VAL 68 3HG2 VAL 68 -15.989 1.651 -14.113 595 HG22 VAL 68 1HG2 VAL 68 -17.611 1.004 -13.862 596 HG23 VAL 68 2HG2 VAL 68 -16.887 2.064 -12.652 597 H ALA 69 HN ALA 69 -15.833 -0.815 -9.763 598 HA ALA 69 HA ALA 69 -14.685 -3.391 -10.118 599 HB1 ALA 69 1HB ALA 69 -14.903 -1.979 -7.478 600 HB2 ALA 69 2HB ALA 69 -13.633 -3.060 -8.052 601 HB3 ALA 69 3HB ALA 69 -13.786 -1.440 -8.733 602 H LYS 70 HN LYS 70 -17.559 -2.203 -8.520 603 HA LYS 70 HA LYS 70 -18.114 -4.463 -6.931 604 HB2 LYS 70 1HB LYS 70 -19.265 -2.424 -6.463 605 HB3 LYS 70 2HB LYS 70 -19.895 -2.328 -8.102 606 HG2 LYS 70 1HG LYS 70 -21.413 -4.091 -7.730 607 HG3 LYS 70 2HG LYS 70 -20.614 -4.562 -6.228 608 HD2 LYS 70 1HD LYS 70 -22.522 -3.413 -5.519 609 HD3 LYS 70 2HD LYS 70 -21.234 -2.214 -5.395 610 HE2 LYS 70 1HE LYS 70 -22.383 -0.864 -6.731 611 HE3 LYS 70 2HE LYS 70 -22.275 -2.063 -8.019 612 HZ1 LYS 70 3HZ LYS 70 -24.579 -1.242 -7.150 613 HZ2 LYS 70 1HZ LYS 70 -24.323 -2.404 -5.947 614 HZ3 LYS 70 2HZ LYS 70 -24.352 -2.864 -7.574 615 H ILE 71 HN ILE 71 -19.299 -3.539 -10.158 616 HA ILE 71 HA ILE 71 -20.818 -5.893 -10.563 617 HB ILE 71 HB ILE 71 -19.627 -4.200 -12.753 618 HG12 ILE 71 1HG1 ILE 71 -20.671 -2.684 -11.171 619 HG13 ILE 71 2HG1 ILE 71 -21.695 -2.831 -12.596 620 HG21 ILE 71 1HG2 ILE 71 -20.995 -5.286 -14.145 621 HG22 ILE 71 2HG2 ILE 71 -21.161 -6.474 -12.854 622 HG23 ILE 71 3HG2 ILE 71 -22.354 -5.187 -13.025 623 HD11 ILE 71 3HD1 ILE 71 -23.396 -3.393 -11.311 624 HD12 ILE 71 1HD1 ILE 71 -22.506 -4.800 -10.728 625 HD13 ILE 71 2HD1 ILE 71 -22.367 -3.256 -9.885 626 H VAL 72 HN VAL 72 -17.630 -4.910 -11.821 627 HA VAL 72 HA VAL 72 -17.009 -7.179 -13.266 628 HB VAL 72 HB VAL 72 -15.209 -5.336 -11.701 629 HG11 VAL 72 1HG1 VAL 72 -13.366 -6.315 -13.105 630 HG12 VAL 72 2HG1 VAL 72 -13.995 -7.376 -11.843 631 HG13 VAL 72 3HG1 VAL 72 -14.477 -7.620 -13.522 632 HG21 VAL 72 3HG2 VAL 72 -14.761 -4.300 -13.785 633 HG22 VAL 72 1HG2 VAL 72 -15.553 -5.598 -14.679 634 HG23 VAL 72 2HG2 VAL 72 -16.512 -4.494 -13.694 635 H ASP 73 HN ASP 73 -16.605 -6.586 -9.804 636 HA ASP 73 HA ASP 73 -15.235 -8.995 -9.229 637 HB2 ASP 73 1HB ASP 73 -16.779 -7.026 -7.561 638 HB3 ASP 73 2HB ASP 73 -16.153 -8.513 -6.854 639 H ASP 74 HN ASP 74 -18.657 -8.101 -9.167 640 HA ASP 74 HA ASP 74 -19.629 -10.505 -8.073 641 HB2 ASP 74 1HB ASP 74 -20.796 -8.217 -9.568 642 HB3 ASP 74 2HB ASP 74 -21.734 -9.707 -9.532 643 H THR 75 HN THR 75 -19.295 -9.449 -11.451 644 HA THR 75 HA THR 75 -20.348 -11.731 -12.667 645 HB THR 75 HB THR 75 -18.134 -10.618 -14.185 646 HG1 THR 75 1HG THR 75 -19.148 -8.495 -14.317 647 HG21 THR 75 3HG2 THR 75 -19.596 -10.967 -15.835 648 HG22 THR 75 1HG2 THR 75 -20.793 -9.916 -15.079 649 HG23 THR 75 2HG2 THR 75 -20.700 -11.618 -14.625 650 H TYR 76 HN TYR 76 -16.951 -10.936 -11.949 651 HA TYR 76 HA TYR 76 -15.881 -13.366 -12.891 652 HB2 TYR 76 1HB TYR 76 -14.859 -10.986 -11.882 653 HB3 TYR 76 2HB TYR 76 -14.361 -12.193 -10.702 654 HD1 TYR 76 2HD TYR 76 -14.027 -14.532 -12.573 655 HD2 TYR 76 1HD TYR 76 -12.797 -10.471 -12.898 656 HE1 TYR 76 2HE TYR 76 -12.181 -15.215 -14.048 657 HE2 TYR 76 1HE TYR 76 -10.948 -11.143 -14.374 658 HH TYR 76 HH TYR 76 -9.619 -13.706 -14.608 659 H ARG 77 HN ARG 77 -16.812 -12.306 -9.633 660 HA ARG 77 HA ARG 77 -15.990 -14.492 -8.166 661 HB2 ARG 77 1HB ARG 77 -18.163 -12.481 -7.866 662 HB3 ARG 77 2HB ARG 77 -18.227 -13.903 -6.832 663 HG2 ARG 77 1HG ARG 77 -15.988 -13.404 -5.998 664 HG3 ARG 77 2HG ARG 77 -15.917 -11.982 -7.041 665 HD2 ARG 77 1HD ARG 77 -18.017 -12.416 -4.924 666 HD3 ARG 77 2HD ARG 77 -16.527 -11.513 -4.658 667 HE ARG 77 HE ARG 77 -18.095 -10.597 -6.897 668 HH11 ARG 77 1HH1 ARG 77 -17.498 -10.315 -3.479 669 HH12 ARG 77 2HH1 ARG 77 -18.160 -8.718 -3.363 670 HH21 ARG 77 1HH2 ARG 77 -18.969 -8.494 -6.757 671 HH22 ARG 77 2HH2 ARG 77 -18.997 -7.684 -5.228 672 H LYS 78 HN LYS 78 -19.064 -14.048 -9.887 673 HA LYS 78 HA LYS 78 -19.990 -16.690 -9.210 674 HB2 LYS 78 1HB LYS 78 -21.507 -14.725 -9.560 675 HB3 LYS 78 2HB LYS 78 -21.102 -14.779 -11.271 676 HG2 LYS 78 1HG LYS 78 -22.018 -17.059 -11.393 677 HG3 LYS 78 2HG LYS 78 -22.477 -16.944 -9.692 678 HD2 LYS 78 1HD LYS 78 -24.356 -15.885 -10.233 679 HD3 LYS 78 2HD LYS 78 -23.447 -14.648 -11.103 680 HE2 LYS 78 1HE LYS 78 -23.310 -16.484 -12.962 681 HE3 LYS 78 2HE LYS 78 -24.710 -17.153 -12.125 682 HZ1 LYS 78 3HZ LYS 78 -24.470 -14.457 -13.340 683 HZ2 LYS 78 1HZ LYS 78 -25.765 -14.932 -12.360 684 HZ3 LYS 78 2HZ LYS 78 -25.486 -15.717 -13.832 685 H MET 79 HN MET 79 -18.192 -15.226 -11.776 686 HA MET 79 HA MET 79 -18.675 -16.977 -13.880 687 HB2 MET 79 1HB MET 79 -17.359 -14.892 -14.066 688 HB3 MET 79 2HB MET 79 -16.052 -15.651 -13.167 689 HG2 MET 79 1HG MET 79 -15.256 -16.629 -14.987 690 HG3 MET 79 2HG MET 79 -16.841 -17.261 -15.425 691 HE1 MET 79 3HE MET 79 -14.864 -13.406 -16.910 692 HE2 MET 79 1HE MET 79 -14.819 -13.932 -15.227 693 HE3 MET 79 2HE MET 79 -14.028 -14.896 -16.474 694 H GLN 80 HN GLN 80 -16.000 -17.141 -11.521 695 HA GLN 80 HA GLN 80 -16.192 -19.847 -10.967 696 HB2 GLN 80 1HB GLN 80 -14.124 -20.589 -12.339 697 HB3 GLN 80 2HB GLN 80 -15.691 -20.527 -13.135 698 HG2 GLN 80 1HG GLN 80 -13.836 -19.604 -14.487 699 HG3 GLN 80 2HG GLN 80 -15.147 -18.462 -14.199 700 HE21 GLN 80 1HE2 GLN 80 -12.035 -19.473 -12.838 701 HE22 GLN 80 2HE2 GLN 80 -11.523 -17.888 -12.381 702 H ILE 81 HN ILE 81 -15.456 -17.285 -9.811 703 HA ILE 81 HA ILE 81 -12.693 -17.822 -8.956 704 HB ILE 81 HB ILE 81 -14.300 -15.277 -8.705 705 HG12 ILE 81 1HG1 ILE 81 -13.575 -15.846 -11.019 706 HG13 ILE 81 2HG1 ILE 81 -12.826 -14.377 -10.402 707 HG21 ILE 81 1HG2 ILE 81 -12.841 -14.649 -7.157 708 HG22 ILE 81 2HG2 ILE 81 -11.991 -16.186 -7.301 709 HG23 ILE 81 3HG2 ILE 81 -11.539 -14.830 -8.333 710 HD11 ILE 81 3HD1 ILE 81 -11.486 -17.065 -10.350 711 HD12 ILE 81 1HD1 ILE 81 -11.311 -15.908 -11.668 712 HD13 ILE 81 2HD1 ILE 81 -10.761 -15.487 -10.046 713 H GLN 82 HN GLN 82 -15.355 -16.088 -7.371 714 HA GLN 82 HA GLN 82 -16.435 -16.457 -5.386 715 HB2 GLN 82 1HB GLN 82 -16.131 -18.947 -6.138 716 HB3 GLN 82 2HB GLN 82 -14.883 -18.972 -4.899 717 HG2 GLN 82 1HG GLN 82 -17.119 -17.788 -3.704 718 HG3 GLN 82 2HG GLN 82 -17.729 -19.162 -4.625 719 HE21 GLN 82 1HE2 GLN 82 -14.711 -18.621 -2.845 720 HE22 GLN 82 2HE2 GLN 82 -14.874 -19.993 -1.809 721 H CYS 83 HN CYS 83 -13.015 -17.416 -5.359 722 HA CYS 83 HA CYS 83 -12.667 -16.264 -2.710 723 HB2 CYS 83 1HB CYS 83 -11.577 -18.453 -3.679 724 HB3 CYS 83 2HB CYS 83 -10.401 -17.329 -4.351 725 HG CYS 83 HG CYS 83 -9.605 -16.309 -1.885 726 H ALA 84 HN ALA 84 -13.355 -14.500 -4.890 727 HA ALA 84 HA ALA 84 -12.811 -12.417 -5.632 728 HB1 ALA 84 1HB ALA 84 -10.320 -11.961 -4.286 729 HB2 ALA 84 2HB ALA 84 -11.886 -11.192 -4.028 730 HB3 ALA 84 3HB ALA 84 -11.484 -12.682 -3.174 731 HA PRO 85 HA PRO 85 -10.085 -13.612 -8.941 732 HB2 PRO 85 1HB PRO 85 -10.531 -11.423 -10.483 733 HB3 PRO 85 2HB PRO 85 -11.683 -12.757 -10.353 734 HG2 PRO 85 1HG PRO 85 -11.687 -10.109 -8.958 735 HG3 PRO 85 2HG PRO 85 -13.039 -10.985 -9.698 736 HD2 PRO 85 1HD PRO 85 -12.587 -10.989 -7.028 737 HD3 PRO 85 2HD PRO 85 -13.297 -12.376 -7.878 738 H ASP 86 HN ASP 86 -9.656 -11.212 -6.676 739 HA ASP 86 HA ASP 86 -7.840 -10.020 -5.994 740 HB2 ASP 86 1HB ASP 86 -6.210 -11.263 -8.195 741 HB3 ASP 86 2HB ASP 86 -5.684 -10.735 -6.599 742 H LEU 87 HN LEU 87 -9.324 -8.372 -7.123 743 HA LEU 87 HA LEU 87 -8.990 -7.281 -9.584 744 HB2 LEU 87 1HB LEU 87 -10.591 -6.452 -7.948 745 HB3 LEU 87 2HB LEU 87 -9.278 -5.773 -6.989 746 HG LEU 87 HG LEU 87 -8.779 -4.363 -9.101 747 HD11 LEU 87 1HD1 LEU 87 -10.242 -4.308 -10.793 748 HD12 LEU 87 2HD1 LEU 87 -11.638 -4.423 -9.722 749 HD13 LEU 87 3HD1 LEU 87 -10.763 -5.881 -10.187 750 HD21 LEU 87 3HD2 LEU 87 -10.487 -4.007 -6.846 751 HD22 LEU 87 1HD2 LEU 87 -11.184 -3.165 -8.230 752 HD23 LEU 87 2HD2 LEU 87 -9.536 -2.804 -7.718 753 H ALA 88 HN ALA 88 -7.346 -5.764 -6.817 754 HA ALA 88 HA ALA 88 -4.742 -5.924 -7.866 755 HB1 ALA 88 1HB ALA 88 -5.274 -4.480 -9.613 756 HB2 ALA 88 2HB ALA 88 -6.306 -3.473 -8.595 757 HB3 ALA 88 3HB ALA 88 -4.553 -3.416 -8.404 758 H THR 89 HN THR 89 -6.225 -6.087 -5.361 759 HA THR 89 HA THR 89 -5.962 -5.575 -3.159 760 HB THR 89 HB THR 89 -3.532 -3.959 -3.436 761 HG1 THR 89 1HG THR 89 -2.282 -5.628 -4.303 762 HG21 THR 89 3HG2 THR 89 -2.737 -6.003 -2.011 763 HG22 THR 89 1HG2 THR 89 -4.460 -6.364 -1.922 764 HG23 THR 89 2HG2 THR 89 -3.849 -4.825 -1.316 765 H ARG 90 HN ARG 90 -7.557 -4.185 -2.631 766 HA ARG 90 HA ARG 90 -7.609 -1.462 -3.502 767 HB2 ARG 90 1HB ARG 90 -9.219 -2.569 -1.213 768 HB3 ARG 90 2HB ARG 90 -9.643 -1.275 -2.326 769 HG2 ARG 90 1HG ARG 90 -9.346 -3.376 -4.027 770 HG3 ARG 90 2HG ARG 90 -9.981 -4.167 -2.583 771 HD2 ARG 90 1HD ARG 90 -11.844 -3.537 -3.923 772 HD3 ARG 90 2HD ARG 90 -11.793 -2.438 -2.545 773 HE ARG 90 HE ARG 90 -10.397 -1.355 -4.766 774 HH11 ARG 90 1HH1 ARG 90 -13.598 -1.935 -3.526 775 HH12 ARG 90 2HH1 ARG 90 -14.315 -0.618 -4.394 776 HH21 ARG 90 1HH2 ARG 90 -11.329 0.381 -5.915 777 HH22 ARG 90 2HH2 ARG 90 -13.023 0.698 -5.753 778 H SER 91 HN SER 91 -5.384 -1.006 -2.693 779 HA SER 91 HA SER 91 -5.442 0.656 -0.454 780 HB2 SER 91 1HB SER 91 -3.821 -0.760 0.984 781 HB3 SER 91 2HB SER 91 -5.538 -1.156 1.036 782 HG SER 91 HG SER 91 -4.587 -3.074 0.695 783 H HIS 92 HN HIS 92 -4.459 0.590 -3.143 784 HA HIS 92 HA HIS 92 -1.574 0.459 -2.994 785 HB2 HIS 92 1HB HIS 92 -3.175 -0.037 -5.034 786 HB3 HIS 92 2HB HIS 92 -3.012 1.695 -5.306 787 HD1 HIS 92 1HD HIS 92 -0.199 -0.505 -4.099 788 HD2 HIS 92 2HD HIS 92 -1.384 1.529 -7.522 789 HE1 HIS 92 1HE HIS 92 1.764 -0.627 -5.667 790 H SER 93 HN SER 93 -1.980 2.145 -1.114 791 HA SER 93 HA SER 93 -1.502 4.225 -0.325 792 HB2 SER 93 1HB SER 93 0.293 3.924 -2.224 793 HB3 SER 93 2HB SER 93 -0.668 5.151 -3.050 794 HG SER 93 HG SER 93 0.397 6.515 -1.869 795 H GLY 94 HN GLY 94 -3.574 4.889 0.132 796 HA2 GLY 94 2HA GLY 94 -4.761 7.071 -0.359 797 HA3 GLY 94 3HA GLY 94 -4.950 6.425 -1.982 798 H SER 95 HN SER 95 -5.799 5.887 1.407 799 HA SER 95 HA SER 95 -8.431 4.988 0.598 800 HB2 SER 95 1HB SER 95 -6.438 3.073 1.133 801 HB3 SER 95 2HB SER 95 -7.469 3.104 2.563 802 HG SER 95 HG SER 95 -8.676 1.850 1.369 803 H ASP 96 HN ASP 96 -6.863 7.050 2.279 804 HA ASP 96 HA ASP 96 -8.585 6.836 4.660 805 HB2 ASP 96 1HB ASP 96 -5.689 7.585 4.444 806 HB3 ASP 96 2HB ASP 96 -6.672 8.254 5.743 807 H PHE 97 HN PHE 97 -7.923 8.529 1.899 808 HA PHE 97 HA PHE 97 -8.758 11.107 3.032 809 HB2 PHE 97 1HB PHE 97 -6.879 10.390 1.014 810 HB3 PHE 97 2HB PHE 97 -8.165 11.317 0.250 811 HD1 PHE 97 1HD PHE 97 -5.454 11.384 2.701 812 HD2 PHE 97 2HD PHE 97 -8.523 13.637 0.798 813 HE1 PHE 97 1HE PHE 97 -4.439 13.465 3.535 814 HE2 PHE 97 2HE PHE 97 -7.513 15.721 1.628 815 HZ PHE 97 HZ PHE 97 -5.467 15.637 2.998 816 H SER 98 HN SER 98 -10.278 8.515 2.058 817 HA SER 98 HA SER 98 -12.665 9.854 1.341 818 HB2 SER 98 1HB SER 98 -11.656 10.139 -0.832 819 HB3 SER 98 2HB SER 98 -11.183 8.441 -0.887 820 HG SER 98 HG SER 98 -13.071 8.783 -2.092 821 H PHE 99 HN PHE 99 -12.692 8.323 3.313 822 HA PHE 99 HA PHE 99 -12.914 5.519 2.793 823 HB2 PHE 99 1HB PHE 99 -13.182 7.302 5.134 824 HB3 PHE 99 2HB PHE 99 -14.140 5.826 5.194 825 HD1 PHE 99 2HD PHE 99 -12.599 3.748 4.145 826 HD2 PHE 99 1HD PHE 99 -11.249 7.137 6.338 827 HE1 PHE 99 2HE PHE 99 -10.611 2.488 4.862 828 HE2 PHE 99 1HE PHE 99 -9.258 5.883 7.058 829 HZ PHE 99 HZ PHE 99 -8.938 3.555 6.321 830 H ARG 100 HN ARG 100 -14.461 5.779 0.985 831 HA ARG 100 HA ARG 100 -17.032 6.751 1.164 832 HB2 ARG 100 1HB ARG 100 -15.639 4.775 -0.501 833 HB3 ARG 100 2HB ARG 100 -17.373 4.510 -0.382 834 HG2 ARG 100 1HG ARG 100 -17.258 5.874 -2.215 835 HG3 ARG 100 2HG ARG 100 -17.504 7.060 -0.932 836 HD2 ARG 100 1HD ARG 100 -15.488 7.981 -1.249 837 HD3 ARG 100 2HD ARG 100 -14.697 6.411 -1.385 838 HE ARG 100 HE ARG 100 -15.607 8.084 -3.534 839 HH11 ARG 100 1HH1 ARG 100 -14.868 4.822 -2.570 840 HH12 ARG 100 2HH1 ARG 100 -14.553 4.277 -4.184 841 HH21 ARG 100 1HH2 ARG 100 -15.195 7.379 -5.664 842 HH22 ARG 100 2HH2 ARG 100 -14.738 5.733 -5.943 843 HA PRO 101 HA PRO 101 -19.362 4.169 3.837 844 HB2 PRO 101 1HB PRO 101 -21.726 3.940 2.522 845 HB3 PRO 101 2HB PRO 101 -21.203 5.436 3.305 846 HG2 PRO 101 1HG PRO 101 -21.065 4.660 0.417 847 HG3 PRO 101 2HG PRO 101 -21.541 6.208 1.138 848 HD2 PRO 101 1HD PRO 101 -19.083 5.788 0.082 849 HD3 PRO 101 2HD PRO 101 -19.358 6.874 1.459 850 H ILE 102 HN ILE 102 -21.095 2.224 3.590 851 HA ILE 102 HA ILE 102 -20.131 0.286 1.623 852 HB ILE 102 HB ILE 102 -20.404 -0.591 4.476 853 HG12 ILE 102 1HG1 ILE 102 -18.092 0.822 3.198 854 HG13 ILE 102 2HG1 ILE 102 -18.742 0.995 4.825 855 HG21 ILE 102 1HG2 ILE 102 -20.256 -2.098 2.357 856 HG22 ILE 102 2HG2 ILE 102 -18.537 -1.714 2.434 857 HG23 ILE 102 3HG2 ILE 102 -19.324 -2.513 3.795 858 HD11 ILE 102 3HD1 ILE 102 -16.730 -0.080 5.170 859 HD12 ILE 102 1HD1 ILE 102 -17.887 -1.411 5.171 860 HD13 ILE 102 2HD1 ILE 102 -16.908 -1.093 3.738 861 H GLU 103 HN GLU 103 -22.607 1.738 1.872 862 HA GLU 103 HA GLU 103 -24.697 0.401 3.073 863 HB2 GLU 103 1HB GLU 103 -24.414 2.220 0.769 864 HB3 GLU 103 2HB GLU 103 -25.867 1.230 0.761 865 HG2 GLU 103 1HG GLU 103 -25.131 2.702 3.241 866 HG3 GLU 103 2HG GLU 103 -25.851 3.582 1.894 867 H GLU 104 HN GLU 104 -22.952 -0.414 0.155 868 HA GLU 104 HA GLU 104 -22.963 -2.257 -1.178 869 HB2 GLU 104 1HB GLU 104 -23.084 -3.244 1.298 870 HB3 GLU 104 2HB GLU 104 -24.647 -3.807 0.723 871 HG2 GLU 104 1HG GLU 104 -23.175 -4.620 -1.326 872 HG3 GLU 104 2HG GLU 104 -21.917 -4.616 -0.091 873 H ALA 105 HN ALA 105 -24.822 -0.417 -1.857 874 HA ALA 105 HA ALA 105 -26.747 -1.992 -3.260 875 HB1 ALA 105 1HB ALA 105 -27.551 -1.276 -0.732 876 HB2 ALA 105 2HB ALA 105 -28.258 -0.016 -1.745 877 HB3 ALA 105 3HB ALA 105 -28.615 -1.713 -2.069 Start of MODEL 8 1 H1 GLY -5 HN GLY -5 -0.001 3.500 -1.371 2 HA2 GLY -5 2HA GLY -5 -2.297 1.858 -1.077 3 HA3 GLY -5 3HA GLY -5 -2.041 3.421 -0.315 4 H SER -4 HN SER -4 -1.846 3.192 -3.760 5 HA SER -4 HA SER -4 -4.554 4.321 -4.001 6 HB2 SER -4 1HB SER -4 -2.298 5.829 -4.288 7 HB3 SER -4 2HB SER -4 -2.569 5.302 -5.949 8 HG SER -4 HG SER -4 -3.913 6.932 -5.935 9 H HIS -3 HN HIS -3 -3.539 1.605 -4.432 10 HA HIS -3 HA HIS -3 -3.715 -0.104 -5.924 11 HB2 HIS -3 1HB HIS -3 -5.571 1.875 -7.259 12 HB3 HIS -3 2HB HIS -3 -5.428 0.183 -7.726 13 HD1 HIS -3 1HD HIS -3 -8.084 1.430 -6.676 14 HD2 HIS -3 2HD HIS -3 -5.353 -0.671 -4.353 15 HE1 HIS -3 1HE HIS -3 -9.396 0.564 -4.713 16 H MET -2 HN MET -2 -1.430 1.377 -6.238 17 HA MET -2 HA MET -2 0.309 1.654 -7.677 18 HB2 MET -2 1HB MET -2 -0.984 -0.520 -8.640 19 HB3 MET -2 2HB MET -2 -1.104 0.552 -10.028 20 HG2 MET -2 1HG MET -2 1.278 0.776 -10.137 21 HG3 MET -2 2HG MET -2 1.472 -0.123 -8.634 22 HE1 MET -2 3HE MET -2 -0.190 -2.033 -12.487 23 HE2 MET -2 1HE MET -2 -0.946 -0.714 -11.593 24 HE3 MET -2 2HE MET -2 0.534 -0.424 -12.508 25 H ALA -1 HN ALA -1 -1.372 3.804 -7.326 26 HA ALA -1 HA ALA -1 -1.809 5.869 -8.179 27 HB1 ALA -1 1HB ALA -1 -0.477 5.388 -10.763 28 HB2 ALA -1 2HB ALA -1 -0.283 6.709 -9.611 29 HB3 ALA -1 3HB ALA -1 0.522 5.166 -9.326 30 H SER 1 HN SER 1 -3.640 3.698 -8.648 31 HA SER 1 HA SER 1 -5.678 3.490 -9.669 32 HB2 SER 1 1HB SER 1 -5.259 6.082 -10.058 33 HB3 SER 1 2HB SER 1 -5.065 5.562 -11.731 34 HG SER 1 HG SER 1 -7.269 4.606 -10.311 35 H ALA 2 HN ALA 2 -2.713 2.993 -10.983 36 HA ALA 2 HA ALA 2 -3.386 2.227 -13.646 37 HB1 ALA 2 1HB ALA 2 -1.167 1.382 -13.804 38 HB2 ALA 2 2HB ALA 2 -1.095 2.864 -12.850 39 HB3 ALA 2 3HB ALA 2 -1.009 1.295 -12.049 40 H ASP 3 HN ASP 3 -3.332 0.601 -10.550 41 HA ASP 3 HA ASP 3 -3.589 -2.040 -11.651 42 HB2 ASP 3 1HB ASP 3 -2.744 -1.164 -9.260 43 HB3 ASP 3 2HB ASP 3 -4.423 -1.501 -8.851 44 H LEU 4 HN LEU 4 -5.773 0.371 -10.282 45 HA LEU 4 HA LEU 4 -8.084 -1.282 -10.309 46 HB2 LEU 4 1HB LEU 4 -7.831 0.749 -8.920 47 HB3 LEU 4 2HB LEU 4 -7.910 1.727 -10.383 48 HG LEU 4 HG LEU 4 -10.206 -0.023 -10.146 49 HD11 LEU 4 1HD1 LEU 4 -11.242 0.997 -8.228 50 HD12 LEU 4 2HD1 LEU 4 -9.820 2.000 -7.946 51 HD13 LEU 4 3HD1 LEU 4 -9.721 0.252 -7.736 52 HD21 LEU 4 3HD2 LEU 4 -10.162 2.976 -10.077 53 HD22 LEU 4 1HD2 LEU 4 -11.378 1.899 -10.764 54 HD23 LEU 4 2HD2 LEU 4 -9.813 2.079 -11.557 55 H VAL 5 HN VAL 5 -6.730 1.066 -12.579 56 HA VAL 5 HA VAL 5 -8.902 0.934 -14.420 57 HB VAL 5 HB VAL 5 -6.059 1.882 -14.794 58 HG11 VAL 5 1HG1 VAL 5 -7.024 3.053 -16.807 59 HG12 VAL 5 2HG1 VAL 5 -6.853 1.302 -16.953 60 HG13 VAL 5 3HG1 VAL 5 -8.437 2.012 -16.635 61 HG21 VAL 5 3HG2 VAL 5 -8.385 3.718 -14.785 62 HG22 VAL 5 1HG2 VAL 5 -7.899 3.022 -13.239 63 HG23 VAL 5 2HG2 VAL 5 -6.745 3.962 -14.184 64 H SER 6 HN SER 6 -5.614 -0.440 -14.462 65 HA SER 6 HA SER 6 -5.848 -1.852 -16.858 66 HB2 SER 6 1HB SER 6 -4.182 -2.462 -14.406 67 HB3 SER 6 2HB SER 6 -3.985 -3.264 -15.965 68 HG SER 6 HG SER 6 -3.756 -0.990 -16.775 69 H SER 7 HN SER 7 -6.659 -2.793 -13.550 70 HA SER 7 HA SER 7 -7.325 -5.484 -14.183 71 HB2 SER 7 1HB SER 7 -7.995 -3.720 -11.823 72 HB3 SER 7 2HB SER 7 -8.490 -5.410 -11.929 73 HG SER 7 HG SER 7 -6.579 -5.494 -10.902 74 H CYS 8 HN CYS 8 -9.311 -2.594 -13.570 75 HA CYS 8 HA CYS 8 -11.806 -3.775 -13.987 76 HB2 CYS 8 1HB CYS 8 -10.778 -0.966 -14.182 77 HB3 CYS 8 2HB CYS 8 -12.421 -1.328 -14.695 78 HG CYS 8 HG CYS 8 -12.215 -0.239 -12.021 79 H LYS 9 HN LYS 9 -9.618 -2.180 -16.274 80 HA LYS 9 HA LYS 9 -11.297 -2.334 -18.525 81 HB2 LYS 9 1HB LYS 9 -9.460 -0.869 -18.688 82 HB3 LYS 9 2HB LYS 9 -8.317 -2.108 -18.186 83 HG2 LYS 9 1HG LYS 9 -9.736 -2.807 -20.626 84 HG3 LYS 9 2HG LYS 9 -8.813 -1.309 -20.766 85 HD2 LYS 9 1HD LYS 9 -7.289 -3.332 -19.385 86 HD3 LYS 9 2HD LYS 9 -7.840 -3.922 -20.954 87 HE2 LYS 9 1HE LYS 9 -7.004 -1.542 -21.741 88 HE3 LYS 9 2HE LYS 9 -6.000 -1.676 -20.299 89 HZ1 LYS 9 3HZ LYS 9 -4.690 -3.166 -21.280 90 HZ2 LYS 9 1HZ LYS 9 -5.412 -2.706 -22.739 91 HZ3 LYS 9 2HZ LYS 9 -5.989 -4.056 -21.900 92 H ASP 10 HN ASP 10 -8.591 -4.443 -17.552 93 HA ASP 10 HA ASP 10 -8.742 -6.309 -19.575 94 HB2 ASP 10 1HB ASP 10 -7.024 -6.171 -17.714 95 HB3 ASP 10 2HB ASP 10 -8.182 -7.019 -16.694 96 H LYS 11 HN LYS 11 -10.570 -6.220 -16.539 97 HA LYS 11 HA LYS 11 -11.965 -8.654 -17.001 98 HB2 LYS 11 1HB LYS 11 -12.054 -6.458 -15.038 99 HB3 LYS 11 2HB LYS 11 -13.588 -7.277 -15.298 100 HG2 LYS 11 1HG LYS 11 -12.935 -8.893 -13.940 101 HG3 LYS 11 2HG LYS 11 -11.616 -9.279 -15.049 102 HD2 LYS 11 1HD LYS 11 -11.134 -6.937 -13.347 103 HD3 LYS 11 2HD LYS 11 -11.296 -8.460 -12.470 104 HE2 LYS 11 1HE LYS 11 -9.666 -9.316 -14.361 105 HE3 LYS 11 2HE LYS 11 -9.242 -7.607 -14.449 106 HZ1 LYS 11 3HZ LYS 11 -7.791 -8.257 -12.858 107 HZ2 LYS 11 1HZ LYS 11 -8.758 -9.534 -12.314 108 HZ3 LYS 11 2HZ LYS 11 -9.110 -7.948 -11.845 109 H LEU 12 HN LEU 12 -13.110 -5.273 -17.106 110 HA LEU 12 HA LEU 12 -15.625 -5.697 -18.121 111 HB2 LEU 12 1HB LEU 12 -14.275 -3.516 -17.466 112 HB3 LEU 12 2HB LEU 12 -14.066 -3.413 -19.213 113 HG LEU 12 HG LEU 12 -16.802 -3.859 -18.808 114 HD11 LEU 12 1HD1 LEU 12 -17.107 -3.189 -16.679 115 HD12 LEU 12 2HD1 LEU 12 -17.013 -1.582 -17.397 116 HD13 LEU 12 3HD1 LEU 12 -15.592 -2.288 -16.628 117 HD21 LEU 12 3HD2 LEU 12 -16.571 -1.183 -19.305 118 HD22 LEU 12 1HD2 LEU 12 -16.513 -2.454 -20.527 119 HD23 LEU 12 2HD2 LEU 12 -15.015 -1.799 -19.865 120 H ALA 13 HN ALA 13 -12.577 -5.466 -19.897 121 HA ALA 13 HA ALA 13 -13.732 -5.597 -22.486 122 HB1 ALA 13 1HB ALA 13 -11.507 -4.702 -22.159 123 HB2 ALA 13 2HB ALA 13 -10.938 -6.263 -21.567 124 HB3 ALA 13 3HB ALA 13 -11.444 -6.089 -23.248 125 H TYR 14 HN TYR 14 -12.415 -8.033 -20.284 126 HA TYR 14 HA TYR 14 -12.773 -10.192 -22.137 127 HB2 TYR 14 1HB TYR 14 -11.043 -10.235 -20.366 128 HB3 TYR 14 2HB TYR 14 -12.312 -10.282 -19.148 129 HD1 TYR 14 1HD TYR 14 -12.059 -12.125 -22.377 130 HD2 TYR 14 2HD TYR 14 -12.095 -12.365 -18.129 131 HE1 TYR 14 1HE TYR 14 -12.098 -14.580 -22.522 132 HE2 TYR 14 2HE TYR 14 -12.133 -14.821 -18.263 133 HH TYR 14 HH TYR 14 -13.044 -16.521 -20.600 134 H PHE 15 HN PHE 15 -14.857 -8.437 -20.171 135 HA PHE 15 HA PHE 15 -16.724 -10.648 -19.776 136 HB2 PHE 15 1HB PHE 15 -16.624 -7.809 -18.780 137 HB3 PHE 15 2HB PHE 15 -18.084 -8.781 -18.630 138 HD1 PHE 15 1HD PHE 15 -17.017 -11.417 -17.972 139 HD2 PHE 15 2HD PHE 15 -15.808 -7.562 -16.633 140 HE1 PHE 15 1HE PHE 15 -16.140 -12.415 -15.900 141 HE2 PHE 15 2HE PHE 15 -14.928 -8.553 -14.561 142 HZ PHE 15 HZ PHE 15 -15.092 -10.983 -14.192 143 H ARG 16 HN ARG 16 -18.536 -10.935 -20.939 144 HA ARG 16 HA ARG 16 -18.875 -9.835 -23.450 145 HB2 ARG 16 1HB ARG 16 -21.119 -10.885 -21.722 146 HB3 ARG 16 2HB ARG 16 -21.055 -10.852 -23.479 147 HG2 ARG 16 1HG ARG 16 -18.793 -12.281 -22.697 148 HG3 ARG 16 2HG ARG 16 -20.094 -12.848 -21.647 149 HD2 ARG 16 1HD ARG 16 -21.358 -12.789 -24.040 150 HD3 ARG 16 2HD ARG 16 -19.715 -13.175 -24.547 151 HE ARG 16 HE ARG 16 -20.188 -14.902 -22.503 152 HH11 ARG 16 1HH1 ARG 16 -21.844 -14.134 -25.468 153 HH12 ARG 16 2HH1 ARG 16 -22.499 -15.726 -25.666 154 HH21 ARG 16 1HH2 ARG 16 -21.045 -17.001 -22.753 155 HH22 ARG 16 2HH2 ARG 16 -22.045 -17.355 -24.121 156 H ILE 17 HN ILE 17 -20.997 -8.682 -24.131 157 HA ILE 17 HA ILE 17 -20.898 -6.043 -23.359 158 HB ILE 17 HB ILE 17 -23.412 -7.402 -24.326 159 HG12 ILE 17 1HG1 ILE 17 -20.835 -6.876 -25.674 160 HG13 ILE 17 2HG1 ILE 17 -22.074 -8.072 -26.038 161 HG21 ILE 17 1HG2 ILE 17 -24.018 -5.279 -25.209 162 HG22 ILE 17 2HG2 ILE 17 -23.529 -5.023 -23.534 163 HG23 ILE 17 3HG2 ILE 17 -22.428 -4.605 -24.847 164 HD11 ILE 17 3HD1 ILE 17 -21.961 -5.194 -26.865 165 HD12 ILE 17 1HD1 ILE 17 -22.021 -6.634 -27.882 166 HD13 ILE 17 2HD1 ILE 17 -23.442 -6.146 -26.958 167 H LYS 18 HN LYS 18 -22.510 -8.687 -21.805 168 HA LYS 18 HA LYS 18 -24.497 -7.491 -20.341 169 HB2 LYS 18 1HB LYS 18 -22.959 -9.905 -20.178 170 HB3 LYS 18 2HB LYS 18 -23.159 -9.243 -18.561 171 HG2 LYS 18 1HG LYS 18 -24.925 -10.838 -19.150 172 HG3 LYS 18 2HG LYS 18 -25.560 -9.224 -18.823 173 HD2 LYS 18 1HD LYS 18 -24.910 -9.493 -21.611 174 HD3 LYS 18 2HD LYS 18 -25.980 -10.803 -21.105 175 HE2 LYS 18 1HE LYS 18 -26.571 -7.972 -20.331 176 HE3 LYS 18 2HE LYS 18 -27.001 -8.565 -21.934 177 HZ1 LYS 18 3HZ LYS 18 -28.051 -9.388 -19.313 178 HZ2 LYS 18 1HZ LYS 18 -28.089 -10.478 -20.606 179 HZ3 LYS 18 2HZ LYS 18 -28.892 -8.995 -20.727 180 H GLU 19 HN GLU 19 -21.056 -7.713 -19.457 181 HA GLU 19 HA GLU 19 -21.238 -6.338 -17.024 182 HB2 GLU 19 1HB GLU 19 -19.256 -7.574 -17.482 183 HB3 GLU 19 2HB GLU 19 -18.964 -6.687 -18.972 184 HG2 GLU 19 1HG GLU 19 -17.436 -6.007 -17.203 185 HG3 GLU 19 2HG GLU 19 -18.474 -4.676 -17.712 186 H LEU 20 HN LEU 20 -20.256 -5.113 -20.225 187 HA LEU 20 HA LEU 20 -19.922 -2.447 -19.543 188 HB2 LEU 20 1HB LEU 20 -20.716 -3.817 -22.083 189 HB3 LEU 20 2HB LEU 20 -20.641 -2.058 -21.999 190 HG LEU 20 HG LEU 20 -18.266 -2.182 -21.438 191 HD11 LEU 20 1HD1 LEU 20 -18.178 -4.263 -20.250 192 HD12 LEU 20 2HD1 LEU 20 -17.100 -4.364 -21.642 193 HD13 LEU 20 3HD1 LEU 20 -18.674 -5.157 -21.687 194 HD21 LEU 20 3HD2 LEU 20 -19.464 -2.920 -23.914 195 HD22 LEU 20 1HD2 LEU 20 -17.957 -3.816 -23.724 196 HD23 LEU 20 2HD2 LEU 20 -17.953 -2.054 -23.629 197 H LYS 21 HN LYS 21 -22.861 -4.187 -20.434 198 HA LYS 21 HA LYS 21 -24.576 -1.967 -20.619 199 HB2 LYS 21 1HB LYS 21 -24.817 -4.708 -20.943 200 HB3 LYS 21 2HB LYS 21 -25.850 -4.370 -19.561 201 HG2 LYS 21 1HG LYS 21 -26.053 -2.769 -22.085 202 HG3 LYS 21 2HG LYS 21 -26.892 -4.310 -21.895 203 HD2 LYS 21 1HD LYS 21 -28.452 -3.410 -20.568 204 HD3 LYS 21 2HD LYS 21 -27.251 -2.539 -19.611 205 HE2 LYS 21 1HE LYS 21 -27.366 -0.664 -20.926 206 HE3 LYS 21 2HE LYS 21 -27.858 -1.566 -22.358 207 HZ1 LYS 21 3HZ LYS 21 -29.571 -0.092 -21.159 208 HZ2 LYS 21 1HZ LYS 21 -29.668 -1.359 -20.043 209 HZ3 LYS 21 2HZ LYS 21 -30.045 -1.633 -21.669 210 H ASP 22 HN ASP 22 -23.813 -4.106 -17.890 211 HA ASP 22 HA ASP 22 -25.560 -2.996 -16.019 212 HB2 ASP 22 1HB ASP 22 -23.417 -4.881 -16.015 213 HB3 ASP 22 2HB ASP 22 -23.167 -3.762 -14.678 214 H ILE 23 HN ILE 23 -22.231 -2.108 -16.844 215 HA ILE 23 HA ILE 23 -21.885 -0.140 -14.869 216 HB ILE 23 HB ILE 23 -20.624 -0.274 -17.611 217 HG12 ILE 23 1HG1 ILE 23 -20.192 -2.306 -16.360 218 HG13 ILE 23 2HG1 ILE 23 -18.728 -1.329 -16.391 219 HG21 ILE 23 1HG2 ILE 23 -20.359 1.599 -15.394 220 HG22 ILE 23 2HG2 ILE 23 -18.822 0.904 -15.909 221 HG23 ILE 23 3HG2 ILE 23 -19.842 1.749 -17.073 222 HD11 ILE 23 3HD1 ILE 23 -18.935 -2.193 -14.208 223 HD12 ILE 23 1HD1 ILE 23 -19.377 -0.488 -14.115 224 HD13 ILE 23 2HD1 ILE 23 -20.633 -1.727 -14.107 225 H LEU 24 HN LEU 24 -22.663 0.284 -18.327 226 HA LEU 24 HA LEU 24 -23.145 3.035 -18.204 227 HB2 LEU 24 1HB LEU 24 -23.823 2.877 -20.376 228 HB3 LEU 24 2HB LEU 24 -22.919 1.372 -20.218 229 HG LEU 24 HG LEU 24 -25.296 0.395 -19.633 230 HD11 LEU 24 1HD1 LEU 24 -26.841 2.028 -19.705 231 HD12 LEU 24 2HD1 LEU 24 -26.778 1.739 -21.444 232 HD13 LEU 24 3HD1 LEU 24 -25.855 3.065 -20.737 233 HD21 LEU 24 3HD2 LEU 24 -25.581 -0.163 -21.998 234 HD22 LEU 24 1HD2 LEU 24 -23.896 -0.310 -21.498 235 HD23 LEU 24 2HD2 LEU 24 -24.419 1.090 -22.435 236 H ASN 25 HN ASN 25 -25.192 0.300 -17.468 237 HA ASN 25 HA ASN 25 -27.675 1.636 -17.470 238 HB2 ASN 25 1HB ASN 25 -28.099 -0.591 -17.375 239 HB3 ASN 25 2HB ASN 25 -26.624 -0.937 -16.477 240 HD21 ASN 25 1HD2 ASN 25 -26.640 -0.812 -14.232 241 HD22 ASN 25 2HD2 ASN 25 -28.111 -0.804 -13.327 242 H GLN 26 HN GLN 26 -25.344 0.988 -14.871 243 HA GLN 26 HA GLN 26 -26.859 2.221 -12.823 244 HB2 GLN 26 1HB GLN 26 -23.956 1.484 -13.097 245 HB3 GLN 26 2HB GLN 26 -24.551 2.335 -11.678 246 HG2 GLN 26 1HG GLN 26 -25.901 0.540 -11.026 247 HG3 GLN 26 2HG GLN 26 -25.785 -0.232 -12.606 248 HE21 GLN 26 1HE2 GLN 26 -23.175 -0.293 -13.137 249 HE22 GLN 26 2HE2 GLN 26 -22.316 -1.210 -11.951 250 H LEU 27 HN LEU 27 -24.465 3.408 -15.102 251 HA LEU 27 HA LEU 27 -24.069 5.939 -13.889 252 HB2 LEU 27 1HB LEU 27 -22.386 5.559 -15.349 253 HB3 LEU 27 2HB LEU 27 -23.412 4.655 -16.461 254 HG LEU 27 HG LEU 27 -24.335 6.804 -17.284 255 HD11 LEU 27 1HD1 LEU 27 -22.097 8.284 -16.023 256 HD12 LEU 27 2HD1 LEU 27 -23.507 7.925 -15.026 257 HD13 LEU 27 3HD1 LEU 27 -23.694 8.845 -16.519 258 HD21 LEU 27 3HD2 LEU 27 -22.733 6.047 -18.728 259 HD22 LEU 27 1HD2 LEU 27 -21.463 6.063 -17.504 260 HD23 LEU 27 2HD2 LEU 27 -21.999 7.575 -18.237 261 H GLY 28 HN GLY 28 -26.405 4.691 -16.189 262 HA2 GLY 28 2HA GLY 28 -28.512 5.572 -16.648 263 HA3 GLY 28 3HA GLY 28 -28.073 7.021 -15.755 264 H LEU 29 HN LEU 29 -26.427 5.497 -18.502 265 HA LEU 29 HA LEU 29 -27.143 7.803 -20.166 266 HB2 LEU 29 1HB LEU 29 -24.415 6.877 -19.409 267 HB3 LEU 29 2HB LEU 29 -24.670 7.534 -21.024 268 HG LEU 29 HG LEU 29 -25.177 8.978 -18.423 269 HD11 LEU 29 1HD1 LEU 29 -22.834 8.675 -20.109 270 HD12 LEU 29 2HD1 LEU 29 -22.984 9.352 -18.488 271 HD13 LEU 29 3HD1 LEU 29 -23.302 10.363 -19.897 272 HD21 LEU 29 3HD2 LEU 29 -25.641 9.710 -21.293 273 HD22 LEU 29 1HD2 LEU 29 -25.340 10.945 -20.069 274 HD23 LEU 29 2HD2 LEU 29 -26.730 9.869 -19.914 275 HA PRO 30 HA PRO 30 -27.479 3.606 -22.263 276 HB2 PRO 30 1HB PRO 30 -30.132 3.769 -22.814 277 HB3 PRO 30 2HB PRO 30 -29.504 3.089 -21.309 278 HG2 PRO 30 1HG PRO 30 -30.600 5.823 -21.840 279 HG3 PRO 30 2HG PRO 30 -30.887 4.752 -20.456 280 HD2 PRO 30 1HD PRO 30 -29.150 6.826 -20.357 281 HD3 PRO 30 2HD PRO 30 -28.902 5.328 -19.438 282 H LYS 31 HN LYS 31 -26.156 5.071 -23.713 283 HA LYS 31 HA LYS 31 -27.397 5.253 -26.246 284 HB2 LYS 31 1HB LYS 31 -28.101 7.394 -24.812 285 HB3 LYS 31 2HB LYS 31 -26.542 7.970 -25.385 286 HG2 LYS 31 1HG LYS 31 -28.649 6.890 -27.232 287 HG3 LYS 31 2HG LYS 31 -28.552 8.592 -26.775 288 HD2 LYS 31 1HD LYS 31 -26.305 7.033 -28.048 289 HD3 LYS 31 2HD LYS 31 -27.431 8.065 -28.933 290 HE2 LYS 31 1HE LYS 31 -26.358 9.509 -26.707 291 HE3 LYS 31 2HE LYS 31 -25.037 8.806 -27.639 292 HZ1 LYS 31 3HZ LYS 31 -25.655 9.963 -29.535 293 HZ2 LYS 31 1HZ LYS 31 -25.903 11.100 -28.307 294 HZ3 LYS 31 2HZ LYS 31 -27.220 10.276 -28.974 295 H GLN 32 HN GLN 32 -25.270 3.861 -25.759 296 HA GLN 32 HA GLN 32 -22.967 5.494 -26.600 297 HB2 GLN 32 1HB GLN 32 -23.240 3.253 -24.706 298 HB3 GLN 32 2HB GLN 32 -21.855 3.145 -25.784 299 HG2 GLN 32 1HG GLN 32 -20.742 4.676 -24.637 300 HG3 GLN 32 2HG GLN 32 -22.102 5.797 -24.687 301 HE21 GLN 32 1HE2 GLN 32 -24.012 4.574 -23.269 302 HE22 GLN 32 2HE2 GLN 32 -23.506 4.321 -21.636 303 H GLY 33 HN GLY 33 -21.267 3.846 -27.688 304 HA2 GLY 33 2HA GLY 33 -22.634 2.946 -30.090 305 HA3 GLY 33 3HA GLY 33 -20.896 3.077 -29.864 306 H LYS 34 HN LYS 34 -19.908 1.187 -29.977 307 HA LYS 34 HA LYS 34 -21.385 -1.243 -29.278 308 HB2 LYS 34 1HB LYS 34 -19.714 -2.449 -30.527 309 HB3 LYS 34 2HB LYS 34 -20.269 -1.092 -31.498 310 HG2 LYS 34 1HG LYS 34 -17.993 -0.336 -29.907 311 HG3 LYS 34 2HG LYS 34 -17.639 -1.768 -30.877 312 HD2 LYS 34 1HD LYS 34 -17.992 -0.660 -32.877 313 HD3 LYS 34 2HD LYS 34 -19.007 0.576 -32.131 314 HE2 LYS 34 1HE LYS 34 -17.081 1.768 -32.488 315 HE3 LYS 34 2HE LYS 34 -16.795 1.172 -30.854 316 HZ1 LYS 34 3HZ LYS 34 -14.867 0.480 -31.732 317 HZ2 LYS 34 1HZ LYS 34 -15.439 0.513 -33.324 318 HZ3 LYS 34 2HZ LYS 34 -15.779 -0.813 -32.331 319 H LYS 35 HN LYS 35 -19.492 -3.007 -28.604 320 HA LYS 35 HA LYS 35 -19.060 -2.647 -25.914 321 HB2 LYS 35 1HB LYS 35 -18.044 -4.468 -27.980 322 HB3 LYS 35 2HB LYS 35 -16.958 -4.271 -26.611 323 HG2 LYS 35 1HG LYS 35 -19.136 -4.693 -25.218 324 HG3 LYS 35 2HG LYS 35 -19.688 -5.449 -26.715 325 HD2 LYS 35 1HD LYS 35 -18.713 -7.173 -25.414 326 HD3 LYS 35 2HD LYS 35 -17.547 -6.789 -26.683 327 HE2 LYS 35 1HE LYS 35 -16.283 -5.412 -25.117 328 HE3 LYS 35 2HE LYS 35 -17.463 -5.749 -23.851 329 HZ1 LYS 35 3HZ LYS 35 -16.380 -8.116 -25.071 330 HZ2 LYS 35 1HZ LYS 35 -16.548 -7.723 -23.434 331 HZ3 LYS 35 2HZ LYS 35 -15.208 -7.168 -24.303 332 H GLN 36 HN GLN 36 -17.148 -1.498 -28.589 333 HA GLN 36 HA GLN 36 -14.810 -0.874 -27.083 334 HB2 GLN 36 1HB GLN 36 -15.795 -0.394 -29.827 335 HB3 GLN 36 2HB GLN 36 -14.648 0.790 -29.215 336 HG2 GLN 36 1HG GLN 36 -14.166 -2.179 -29.230 337 HG3 GLN 36 2HG GLN 36 -13.622 -1.075 -30.491 338 HE21 GLN 36 1HE2 GLN 36 -13.266 -2.001 -27.143 339 HE22 GLN 36 2HE2 GLN 36 -11.728 -1.254 -26.896 340 H ASP 37 HN ASP 37 -17.543 1.062 -28.272 341 HA ASP 37 HA ASP 37 -16.701 3.536 -27.279 342 HB2 ASP 37 1HB ASP 37 -19.082 2.437 -28.460 343 HB3 ASP 37 2HB ASP 37 -19.519 3.476 -27.106 344 H LEU 38 HN LEU 38 -18.847 1.112 -25.802 345 HA LEU 38 HA LEU 38 -19.334 2.499 -23.417 346 HB2 LEU 38 1HB LEU 38 -19.189 -0.493 -23.700 347 HB3 LEU 38 2HB LEU 38 -20.130 0.434 -22.533 348 HG LEU 38 HG LEU 38 -20.772 0.927 -25.369 349 HD11 LEU 38 1HD1 LEU 38 -20.571 -1.358 -25.707 350 HD12 LEU 38 2HD1 LEU 38 -22.267 -1.172 -25.261 351 HD13 LEU 38 3HD1 LEU 38 -21.101 -1.750 -24.071 352 HD21 LEU 38 3HD2 LEU 38 -23.045 0.898 -24.476 353 HD22 LEU 38 1HD2 LEU 38 -22.004 1.968 -23.537 354 HD23 LEU 38 2HD2 LEU 38 -22.428 0.376 -22.907 355 H ILE 39 HN ILE 39 -17.033 -0.161 -24.017 356 HA ILE 39 HA ILE 39 -15.800 -0.221 -21.552 357 HB ILE 39 HB ILE 39 -14.920 -0.928 -24.302 358 HG12 ILE 39 1HG1 ILE 39 -14.585 -2.606 -21.848 359 HG13 ILE 39 2HG1 ILE 39 -16.206 -2.333 -22.477 360 HG21 ILE 39 1HG2 ILE 39 -12.887 0.017 -23.666 361 HG22 ILE 39 2HG2 ILE 39 -13.066 -0.493 -21.988 362 HG23 ILE 39 3HG2 ILE 39 -12.706 -1.684 -23.237 363 HD11 ILE 39 3HD1 ILE 39 -13.930 -3.824 -23.682 364 HD12 ILE 39 1HD1 ILE 39 -15.623 -4.288 -23.516 365 HD13 ILE 39 2HD1 ILE 39 -15.149 -3.099 -24.730 366 H ASP 40 HN ASP 40 -14.852 1.718 -24.384 367 HA ASP 40 HA ASP 40 -12.660 3.004 -23.225 368 HB2 ASP 40 1HB ASP 40 -13.526 2.987 -25.689 369 HB3 ASP 40 2HB ASP 40 -14.431 4.414 -25.194 370 H ARG 41 HN ARG 41 -16.088 3.651 -22.994 371 HA ARG 41 HA ARG 41 -15.885 6.260 -21.900 372 HB2 ARG 41 1HB ARG 41 -17.971 4.390 -22.541 373 HB3 ARG 41 2HB ARG 41 -18.244 5.045 -20.932 374 HG2 ARG 41 1HG ARG 41 -17.759 6.728 -23.379 375 HG3 ARG 41 2HG ARG 41 -19.356 6.309 -22.757 376 HD2 ARG 41 1HD ARG 41 -19.226 8.114 -21.464 377 HD3 ARG 41 2HD ARG 41 -17.971 7.278 -20.550 378 HE ARG 41 HE ARG 41 -16.655 8.408 -22.661 379 HH11 ARG 41 1HH1 ARG 41 -18.713 9.587 -20.113 380 HH12 ARG 41 2HH1 ARG 41 -17.959 11.146 -20.048 381 HH21 ARG 41 1HH2 ARG 41 -15.654 10.456 -22.585 382 HH22 ARG 41 2HH2 ARG 41 -16.219 11.639 -21.455 383 H VAL 42 HN VAL 42 -16.302 3.056 -20.422 384 HA VAL 42 HA VAL 42 -16.470 3.872 -17.759 385 HB VAL 42 HB VAL 42 -15.410 1.317 -18.960 386 HG11 VAL 42 1HG1 VAL 42 -14.344 1.367 -16.879 387 HG12 VAL 42 2HG1 VAL 42 -15.731 2.115 -16.084 388 HG13 VAL 42 3HG1 VAL 42 -15.808 0.427 -16.592 389 HG21 VAL 42 3HG2 VAL 42 -17.629 0.556 -17.784 390 HG22 VAL 42 1HG2 VAL 42 -18.044 2.264 -17.934 391 HG23 VAL 42 2HG2 VAL 42 -17.671 1.317 -19.374 392 H LEU 43 HN LEU 43 -13.595 2.647 -19.483 393 HA LEU 43 HA LEU 43 -11.749 3.124 -17.454 394 HB2 LEU 43 1HB LEU 43 -11.099 3.392 -20.372 395 HB3 LEU 43 2HB LEU 43 -10.061 2.821 -19.068 396 HG LEU 43 HG LEU 43 -12.363 1.363 -20.354 397 HD11 LEU 43 1HD1 LEU 43 -9.452 0.628 -20.118 398 HD12 LEU 43 2HD1 LEU 43 -10.174 1.390 -21.534 399 HD13 LEU 43 3HD1 LEU 43 -10.700 -0.217 -21.035 400 HD21 LEU 43 3HD2 LEU 43 -11.900 -0.457 -18.799 401 HD22 LEU 43 1HD2 LEU 43 -12.407 0.996 -17.938 402 HD23 LEU 43 2HD2 LEU 43 -10.703 0.541 -17.972 403 H ALA 44 HN ALA 44 -12.822 5.228 -20.093 404 HA ALA 44 HA ALA 44 -11.046 7.358 -19.538 405 HB1 ALA 44 1HB ALA 44 -12.156 7.139 -21.690 406 HB2 ALA 44 2HB ALA 44 -13.724 7.406 -20.926 407 HB3 ALA 44 3HB ALA 44 -12.526 8.700 -20.957 408 H LEU 45 HN LEU 45 -13.953 6.300 -18.038 409 HA LEU 45 HA LEU 45 -14.593 8.840 -16.832 410 HB2 LEU 45 1HB LEU 45 -16.563 7.844 -16.664 411 HB3 LEU 45 2HB LEU 45 -15.860 6.307 -17.161 412 HG LEU 45 HG LEU 45 -15.202 6.037 -14.692 413 HD11 LEU 45 1HD1 LEU 45 -16.166 7.344 -13.081 414 HD12 LEU 45 2HD1 LEU 45 -17.502 7.837 -14.120 415 HD13 LEU 45 3HD1 LEU 45 -15.902 8.544 -14.346 416 HD21 LEU 45 3HD2 LEU 45 -17.183 4.883 -14.254 417 HD22 LEU 45 1HD2 LEU 45 -17.085 4.902 -16.015 418 HD23 LEU 45 2HD2 LEU 45 -18.162 6.022 -15.181 419 H LEU 46 HN LEU 46 -13.111 5.794 -15.809 420 HA LEU 46 HA LEU 46 -12.627 6.825 -13.138 421 HB2 LEU 46 1HB LEU 46 -11.480 4.268 -14.170 422 HB3 LEU 46 2HB LEU 46 -12.005 4.679 -12.538 423 HG LEU 46 HG LEU 46 -13.948 4.331 -14.807 424 HD11 LEU 46 1HD1 LEU 46 -13.735 2.126 -14.758 425 HD12 LEU 46 2HD1 LEU 46 -13.901 2.106 -13.003 426 HD13 LEU 46 3HD1 LEU 46 -12.311 2.319 -13.735 427 HD21 LEU 46 3HD2 LEU 46 -14.735 5.521 -12.816 428 HD22 LEU 46 1HD2 LEU 46 -14.245 4.158 -11.810 429 HD23 LEU 46 2HD2 LEU 46 -15.534 3.958 -12.998 430 H THR 47 HN THR 47 -11.162 7.141 -16.082 431 HA THR 47 HA THR 47 -8.478 7.388 -14.893 432 HB THR 47 HB THR 47 -9.200 7.045 -17.810 433 HG1 THR 47 1HG THR 47 -9.475 5.126 -16.578 434 HG21 THR 47 3HG2 THR 47 -7.183 8.294 -17.686 435 HG22 THR 47 1HG2 THR 47 -6.714 6.625 -18.006 436 HG23 THR 47 2HG2 THR 47 -6.559 7.288 -16.379 437 H ASP 48 HN ASP 48 -10.663 8.891 -17.266 438 HA ASP 48 HA ASP 48 -9.156 11.386 -17.072 439 HB2 ASP 48 1HB ASP 48 -10.768 10.117 -19.102 440 HB3 ASP 48 2HB ASP 48 -11.355 11.748 -18.786 441 H GLU 49 HN GLU 49 -11.677 9.923 -15.505 442 HA GLU 49 HA GLU 49 -12.689 12.516 -14.574 443 HB2 GLU 49 1HB GLU 49 -14.181 10.510 -16.021 444 HB3 GLU 49 2HB GLU 49 -14.860 10.743 -14.416 445 HG2 GLU 49 1HG GLU 49 -15.250 13.039 -14.808 446 HG3 GLU 49 2HG GLU 49 -14.273 13.025 -16.276 447 H GLN 50 HN GLN 50 -10.931 10.116 -13.666 448 HA GLN 50 HA GLN 50 -11.987 8.689 -11.607 449 HB2 GLN 50 1HB GLN 50 -9.535 9.563 -10.586 450 HB3 GLN 50 2HB GLN 50 -9.834 8.108 -11.526 451 HG2 GLN 50 1HG GLN 50 -8.014 9.374 -12.481 452 HG3 GLN 50 2HG GLN 50 -9.389 9.348 -13.584 453 HE21 GLN 50 1HE2 GLN 50 -9.495 11.200 -14.620 454 HE22 GLN 50 2HE2 GLN 50 -9.290 12.770 -13.928 455 H GLY 51 HN GLY 51 -10.874 12.056 -11.459 456 HA2 GLY 51 2HA GLY 51 -12.075 13.666 -10.132 457 HA3 GLY 51 3HA GLY 51 -12.488 12.373 -9.015 458 H GLN 52 HN GLN 52 -9.337 11.916 -9.854 459 HA GLN 52 HA GLN 52 -7.386 12.119 -8.697 460 HB2 GLN 52 1HB GLN 52 -8.434 14.771 -9.131 461 HB3 GLN 52 2HB GLN 52 -7.518 14.717 -7.630 462 HG2 GLN 52 1HG GLN 52 -6.087 15.364 -9.457 463 HG3 GLN 52 2HG GLN 52 -5.605 13.784 -8.841 464 HE21 GLN 52 1HE2 GLN 52 -7.745 15.201 -11.290 465 HE22 GLN 52 2HE2 GLN 52 -7.389 14.041 -12.520 466 H ARG 53 HN ARG 53 -9.903 11.352 -7.243 467 HA ARG 53 HA ARG 53 -10.522 10.776 -5.132 468 HB2 ARG 53 1HB ARG 53 -7.733 11.517 -4.259 469 HB3 ARG 53 2HB ARG 53 -8.820 10.344 -3.527 470 HG2 ARG 53 1HG ARG 53 -8.569 8.860 -5.398 471 HG3 ARG 53 2HG ARG 53 -7.618 10.063 -6.272 472 HD2 ARG 53 1HD ARG 53 -6.830 8.796 -3.650 473 HD3 ARG 53 2HD ARG 53 -6.229 8.303 -5.233 474 HE ARG 53 HE ARG 53 -5.753 11.041 -4.924 475 HH11 ARG 53 1HH1 ARG 53 -4.718 8.002 -3.578 476 HH12 ARG 53 2HH1 ARG 53 -3.139 8.578 -3.155 477 HH21 ARG 53 1HH2 ARG 53 -3.677 11.811 -4.373 478 HH22 ARG 53 2HH2 ARG 53 -2.549 10.745 -3.607 479 H HIS 54 HN HIS 54 -10.411 13.681 -6.096 480 HA HIS 54 HA HIS 54 -10.104 15.243 -3.712 481 HB2 HIS 54 1HB HIS 54 -9.751 16.121 -6.038 482 HB3 HIS 54 2HB HIS 54 -11.493 16.027 -6.280 483 HD1 HIS 54 1HD HIS 54 -10.565 17.115 -2.910 484 HD2 HIS 54 2HD HIS 54 -11.276 18.901 -6.593 485 HE1 HIS 54 1HE HIS 54 -10.905 19.557 -2.418 486 H HIS 55 HN HIS 55 -12.989 14.976 -5.780 487 HA HIS 55 HA HIS 55 -14.712 13.987 -3.794 488 HB2 HIS 55 1HB HIS 55 -15.928 15.941 -3.116 489 HB3 HIS 55 2HB HIS 55 -14.221 16.241 -2.801 490 HD1 HIS 55 1HD HIS 55 -13.576 16.988 -5.847 491 HD2 HIS 55 2HD HIS 55 -16.560 18.621 -3.461 492 HE1 HIS 55 1HE HIS 55 -14.076 19.242 -6.845 493 H GLY 56 HN GLY 56 -17.044 14.209 -4.436 494 HA2 GLY 56 2HA GLY 56 -18.607 14.847 -6.203 495 HA3 GLY 56 3HA GLY 56 -17.294 14.626 -7.349 496 H TRP 57 HN TRP 57 -18.433 12.564 -4.688 497 HA TRP 57 HA TRP 57 -18.849 10.424 -6.672 498 HB2 TRP 57 1HB TRP 57 -18.545 9.431 -3.978 499 HB3 TRP 57 2HB TRP 57 -17.607 9.048 -5.419 500 HD1 TRP 57 HD TRP 57 -15.382 10.525 -5.857 501 HE1 TRP 57 1HE TRP 57 -13.884 11.843 -4.230 502 HE3 TRP 57 3HE TRP 57 -18.571 10.816 -1.872 503 HZ2 TRP 57 2HZ TRP 57 -14.035 12.869 -1.605 504 HZ3 TRP 57 3HZ TRP 57 -17.818 11.982 0.159 505 HH2 TRP 57 HH TRP 57 -15.596 12.986 0.288 506 H GLY 58 HN GLY 58 -19.814 11.018 -3.285 507 HA2 GLY 58 2HA GLY 58 -21.980 11.307 -2.449 508 HA3 GLY 58 3HA GLY 58 -22.619 10.977 -4.053 509 H ARG 59 HN ARG 59 -20.644 8.543 -3.894 510 HA ARG 59 HA ARG 59 -20.785 6.326 -3.403 511 HB2 ARG 59 1HB ARG 59 -21.013 5.869 -1.218 512 HB3 ARG 59 2HB ARG 59 -21.270 7.596 -1.011 513 HG2 ARG 59 1HG ARG 59 -23.761 6.988 -1.511 514 HG3 ARG 59 2HG ARG 59 -23.250 5.372 -1.018 515 HD2 ARG 59 1HD ARG 59 -23.384 7.894 0.572 516 HD3 ARG 59 2HD ARG 59 -23.956 6.278 0.982 517 HE ARG 59 HE ARG 59 -21.292 7.336 1.362 518 HH11 ARG 59 1HH1 ARG 59 -23.302 4.499 1.191 519 HH12 ARG 59 2HH1 ARG 59 -22.204 3.507 2.092 520 HH21 ARG 59 1HH2 ARG 59 -19.838 6.040 2.549 521 HH22 ARG 59 2HH2 ARG 59 -20.234 4.385 2.865 522 H LYS 60 HN LYS 60 -23.114 8.053 -4.674 523 HA LYS 60 HA LYS 60 -24.933 5.756 -4.946 524 HB2 LYS 60 1HB LYS 60 -26.831 7.330 -5.088 525 HB3 LYS 60 2HB LYS 60 -26.034 7.384 -3.522 526 HG2 LYS 60 1HG LYS 60 -25.456 9.528 -3.760 527 HG3 LYS 60 2HG LYS 60 -24.977 9.311 -5.445 528 HD2 LYS 60 1HD LYS 60 -27.065 9.805 -6.244 529 HD3 LYS 60 2HD LYS 60 -27.877 9.227 -4.787 530 HE2 LYS 60 1HE LYS 60 -26.556 11.296 -3.738 531 HE3 LYS 60 2HE LYS 60 -26.706 11.881 -5.394 532 HZ1 LYS 60 3HZ LYS 60 -28.558 12.367 -3.655 533 HZ2 LYS 60 1HZ LYS 60 -29.081 10.805 -4.045 534 HZ3 LYS 60 2HZ LYS 60 -28.973 11.987 -5.250 535 H ASN 61 HN ASN 61 -22.971 8.064 -6.418 536 HA ASN 61 HA ASN 61 -24.208 8.635 -8.824 537 HB2 ASN 61 1HB ASN 61 -22.059 9.154 -9.686 538 HB3 ASN 61 2HB ASN 61 -21.973 9.497 -7.961 539 HD21 ASN 61 1HD2 ASN 61 -21.676 6.954 -6.947 540 HD22 ASN 61 2HD2 ASN 61 -20.150 6.316 -7.449 541 H SER 62 HN SER 62 -22.845 5.652 -7.708 542 HA SER 62 HA SER 62 -22.543 3.606 -8.680 543 HB2 SER 62 1HB SER 62 -24.923 4.248 -10.405 544 HB3 SER 62 2HB SER 62 -24.483 2.714 -9.655 545 HG SER 62 HG SER 62 -26.244 4.077 -8.676 546 H LEU 63 HN LEU 63 -21.093 5.751 -9.927 547 HA LEU 63 HA LEU 63 -20.620 4.490 -12.512 548 HB2 LEU 63 1HB LEU 63 -20.414 6.818 -13.529 549 HB3 LEU 63 2HB LEU 63 -22.035 6.177 -13.269 550 HG LEU 63 HG LEU 63 -21.712 7.562 -10.982 551 HD11 LEU 63 1HD1 LEU 63 -20.295 9.302 -11.086 552 HD12 LEU 63 2HD1 LEU 63 -20.570 9.561 -12.808 553 HD13 LEU 63 3HD1 LEU 63 -19.454 8.305 -12.273 554 HD21 LEU 63 3HD2 LEU 63 -23.247 9.070 -11.853 555 HD22 LEU 63 1HD2 LEU 63 -23.475 7.646 -12.869 556 HD23 LEU 63 2HD2 LEU 63 -22.538 9.015 -13.468 557 H THR 64 HN THR 64 -19.281 4.815 -9.843 558 HA THR 64 HA THR 64 -16.802 6.126 -10.746 559 HB THR 64 HB THR 64 -16.361 5.794 -8.106 560 HG1 THR 64 1HG THR 64 -18.165 5.567 -7.028 561 HG21 THR 64 3HG2 THR 64 -17.705 8.188 -8.105 562 HG22 THR 64 1HG2 THR 64 -17.320 7.967 -9.812 563 HG23 THR 64 2HG2 THR 64 -16.031 7.957 -8.609 564 H LYS 65 HN LYS 65 -14.868 5.116 -9.349 565 HA LYS 65 HA LYS 65 -14.248 2.668 -10.447 566 HB2 LYS 65 1HB LYS 65 -12.383 2.585 -8.973 567 HB3 LYS 65 2HB LYS 65 -12.674 4.286 -9.315 568 HG2 LYS 65 1HG LYS 65 -13.998 4.333 -7.143 569 HG3 LYS 65 2HG LYS 65 -13.272 2.760 -6.802 570 HD2 LYS 65 1HD LYS 65 -11.185 4.467 -7.640 571 HD3 LYS 65 2HD LYS 65 -12.152 5.373 -6.474 572 HE2 LYS 65 1HE LYS 65 -11.979 2.937 -5.270 573 HE3 LYS 65 2HE LYS 65 -10.421 3.035 -6.088 574 HZ1 LYS 65 3HZ LYS 65 -10.617 5.472 -4.991 575 HZ2 LYS 65 1HZ LYS 65 -9.824 4.165 -4.268 576 HZ3 LYS 65 2HZ LYS 65 -11.414 4.537 -3.829 577 H GLU 66 HN GLU 66 -16.056 3.369 -7.547 578 HA GLU 66 HA GLU 66 -15.933 0.809 -6.363 579 HB2 GLU 66 1HB GLU 66 -17.369 3.293 -5.933 580 HB3 GLU 66 2HB GLU 66 -18.404 1.899 -5.655 581 HG2 GLU 66 1HG GLU 66 -16.551 1.000 -4.178 582 HG3 GLU 66 2HG GLU 66 -15.833 2.607 -4.282 583 H ALA 67 HN ALA 67 -18.328 2.305 -8.519 584 HA ALA 67 HA ALA 67 -20.067 0.086 -8.632 585 HB1 ALA 67 1HB ALA 67 -21.250 1.759 -9.513 586 HB2 ALA 67 2HB ALA 67 -19.801 2.655 -9.972 587 HB3 ALA 67 3HB ALA 67 -20.426 1.389 -11.029 588 H VAL 68 HN VAL 68 -17.583 1.205 -10.933 589 HA VAL 68 HA VAL 68 -17.819 -0.840 -12.797 590 HB VAL 68 HB VAL 68 -15.304 0.628 -11.990 591 HG11 VAL 68 1HG1 VAL 68 -14.818 -1.403 -13.256 592 HG12 VAL 68 2HG1 VAL 68 -15.941 -0.892 -14.517 593 HG13 VAL 68 3HG1 VAL 68 -14.475 0.039 -14.211 594 HG21 VAL 68 3HG2 VAL 68 -17.490 1.246 -13.958 595 HG22 VAL 68 1HG2 VAL 68 -16.872 2.252 -12.648 596 HG23 VAL 68 2HG2 VAL 68 -15.884 1.964 -14.081 597 H ALA 69 HN ALA 69 -15.785 -0.683 -9.893 598 HA ALA 69 HA ALA 69 -14.591 -3.237 -10.295 599 HB1 ALA 69 1HB ALA 69 -13.507 -2.906 -8.265 600 HB2 ALA 69 2HB ALA 69 -13.750 -1.265 -8.866 601 HB3 ALA 69 3HB ALA 69 -14.813 -1.913 -7.617 602 H LYS 70 HN LYS 70 -17.517 -2.120 -8.777 603 HA LYS 70 HA LYS 70 -18.049 -4.365 -7.155 604 HB2 LYS 70 1HB LYS 70 -19.261 -2.327 -6.784 605 HB3 LYS 70 2HB LYS 70 -19.881 -2.331 -8.430 606 HG2 LYS 70 1HG LYS 70 -21.343 -4.114 -7.991 607 HG3 LYS 70 2HG LYS 70 -20.524 -4.520 -6.481 608 HD2 LYS 70 1HD LYS 70 -22.255 -3.375 -5.578 609 HD3 LYS 70 2HD LYS 70 -21.230 -1.985 -5.944 610 HE2 LYS 70 1HE LYS 70 -23.194 -1.296 -6.894 611 HE3 LYS 70 2HE LYS 70 -22.459 -2.118 -8.269 612 HZ1 LYS 70 3HZ LYS 70 -24.049 -3.661 -8.276 613 HZ2 LYS 70 1HZ LYS 70 -24.928 -2.616 -7.278 614 HZ3 LYS 70 2HZ LYS 70 -24.011 -3.863 -6.597 615 H ILE 71 HN ILE 71 -19.138 -3.542 -10.442 616 HA ILE 71 HA ILE 71 -20.545 -5.988 -10.823 617 HB ILE 71 HB ILE 71 -19.489 -4.223 -13.023 618 HG12 ILE 71 1HG1 ILE 71 -20.616 -2.793 -11.393 619 HG13 ILE 71 2HG1 ILE 71 -21.597 -2.953 -12.846 620 HG21 ILE 71 1HG2 ILE 71 -20.497 -6.436 -13.587 621 HG22 ILE 71 2HG2 ILE 71 -22.008 -5.868 -12.877 622 HG23 ILE 71 3HG2 ILE 71 -21.338 -5.055 -14.291 623 HD11 ILE 71 3HD1 ILE 71 -23.299 -3.579 -11.590 624 HD12 ILE 71 1HD1 ILE 71 -22.390 -5.005 -11.088 625 HD13 ILE 71 2HD1 ILE 71 -22.287 -3.517 -10.147 626 H VAL 72 HN VAL 72 -17.317 -4.842 -11.688 627 HA VAL 72 HA VAL 72 -16.534 -6.972 -13.320 628 HB VAL 72 HB VAL 72 -14.939 -5.130 -11.551 629 HG11 VAL 72 1HG1 VAL 72 -13.058 -6.092 -13.186 630 HG12 VAL 72 2HG1 VAL 72 -13.389 -6.786 -11.598 631 HG13 VAL 72 3HG1 VAL 72 -14.068 -7.531 -13.046 632 HG21 VAL 72 3HG2 VAL 72 -14.471 -3.929 -13.486 633 HG22 VAL 72 1HG2 VAL 72 -14.876 -5.283 -14.541 634 HG23 VAL 72 2HG2 VAL 72 -16.156 -4.399 -13.710 635 H ASP 73 HN ASP 73 -16.355 -6.572 -9.809 636 HA ASP 73 HA ASP 73 -14.969 -9.017 -9.342 637 HB2 ASP 73 1HB ASP 73 -15.230 -6.916 -7.811 638 HB3 ASP 73 2HB ASP 73 -16.709 -7.711 -7.278 639 H ASP 74 HN ASP 74 -18.374 -8.049 -9.000 640 HA ASP 74 HA ASP 74 -19.349 -10.530 -8.135 641 HB2 ASP 74 1HB ASP 74 -20.541 -8.086 -9.341 642 HB3 ASP 74 2HB ASP 74 -21.512 -9.555 -9.370 643 H THR 75 HN THR 75 -18.908 -9.203 -11.378 644 HA THR 75 HA THR 75 -20.161 -11.331 -12.764 645 HB THR 75 HB THR 75 -18.024 -9.442 -13.772 646 HG1 THR 75 1HG THR 75 -20.868 -9.263 -13.923 647 HG21 THR 75 3HG2 THR 75 -18.470 -11.531 -15.123 648 HG22 THR 75 1HG2 THR 75 -18.728 -10.007 -15.970 649 HG23 THR 75 2HG2 THR 75 -20.108 -10.924 -15.366 650 H TYR 76 HN TYR 76 -16.797 -10.690 -11.868 651 HA TYR 76 HA TYR 76 -15.683 -12.905 -13.223 652 HB2 TYR 76 1HB TYR 76 -14.563 -10.786 -12.127 653 HB3 TYR 76 2HB TYR 76 -14.442 -11.837 -10.720 654 HD1 TYR 76 1HD TYR 76 -14.070 -12.667 -14.333 655 HD2 TYR 76 2HD TYR 76 -12.177 -12.344 -10.537 656 HE1 TYR 76 1HE TYR 76 -12.033 -13.678 -15.270 657 HE2 TYR 76 2HE TYR 76 -10.134 -13.353 -11.463 658 HH TYR 76 HH TYR 76 -9.227 -14.384 -13.228 659 H ARG 77 HN ARG 77 -16.516 -12.438 -9.790 660 HA ARG 77 HA ARG 77 -15.849 -15.009 -8.920 661 HB2 ARG 77 1HB ARG 77 -17.131 -14.529 -6.949 662 HB3 ARG 77 2HB ARG 77 -16.330 -13.046 -7.451 663 HG2 ARG 77 1HG ARG 77 -18.395 -12.237 -8.438 664 HG3 ARG 77 2HG ARG 77 -19.207 -13.743 -8.003 665 HD2 ARG 77 1HD ARG 77 -19.839 -12.335 -6.283 666 HD3 ARG 77 2HD ARG 77 -18.440 -13.159 -5.594 667 HE ARG 77 HE ARG 77 -17.375 -10.935 -6.719 668 HH11 ARG 77 1HH1 ARG 77 -19.974 -11.491 -4.471 669 HH12 ARG 77 2HH1 ARG 77 -19.764 -9.979 -3.652 670 HH21 ARG 77 1HH2 ARG 77 -17.088 -8.941 -5.649 671 HH22 ARG 77 2HH2 ARG 77 -18.123 -8.528 -4.324 672 H LYS 78 HN LYS 78 -18.804 -13.748 -10.352 673 HA LYS 78 HA LYS 78 -20.275 -16.191 -9.943 674 HB2 LYS 78 1HB LYS 78 -21.360 -13.948 -10.016 675 HB3 LYS 78 2HB LYS 78 -20.945 -13.840 -11.722 676 HG2 LYS 78 1HG LYS 78 -22.391 -16.277 -10.989 677 HG3 LYS 78 2HG LYS 78 -23.296 -14.782 -10.740 678 HD2 LYS 78 1HD LYS 78 -21.825 -15.080 -13.299 679 HD3 LYS 78 2HD LYS 78 -23.270 -16.068 -13.073 680 HE2 LYS 78 1HE LYS 78 -24.425 -14.289 -13.764 681 HE3 LYS 78 2HE LYS 78 -24.054 -13.572 -12.197 682 HZ1 LYS 78 3HZ LYS 78 -21.883 -12.861 -13.411 683 HZ2 LYS 78 1HZ LYS 78 -23.304 -11.967 -13.623 684 HZ3 LYS 78 2HZ LYS 78 -22.813 -13.068 -14.809 685 H MET 79 HN MET 79 -18.162 -14.903 -12.338 686 HA MET 79 HA MET 79 -19.073 -16.396 -14.568 687 HB2 MET 79 1HB MET 79 -17.691 -14.510 -14.999 688 HB3 MET 79 2HB MET 79 -16.434 -15.093 -13.916 689 HG2 MET 79 1HG MET 79 -15.553 -16.480 -15.459 690 HG3 MET 79 2HG MET 79 -17.117 -16.850 -16.180 691 HE1 MET 79 3HE MET 79 -14.494 -14.193 -15.583 692 HE2 MET 79 1HE MET 79 -13.761 -14.985 -16.978 693 HE3 MET 79 2HE MET 79 -14.356 -13.330 -17.115 694 H GLN 80 HN GLN 80 -16.226 -16.895 -12.471 695 HA GLN 80 HA GLN 80 -16.593 -19.781 -12.738 696 HB2 GLN 80 1HB GLN 80 -14.161 -18.239 -13.585 697 HB3 GLN 80 2HB GLN 80 -14.014 -19.901 -13.030 698 HG2 GLN 80 1HG GLN 80 -16.078 -19.989 -14.870 699 HG3 GLN 80 2HG GLN 80 -14.914 -18.869 -15.576 700 HE21 GLN 80 1HE2 GLN 80 -12.549 -19.926 -14.673 701 HE22 GLN 80 2HE2 GLN 80 -12.306 -21.484 -15.378 702 H ILE 81 HN ILE 81 -16.237 -17.212 -10.790 703 HA ILE 81 HA ILE 81 -15.808 -16.954 -8.569 704 HB ILE 81 HB ILE 81 -15.418 -19.942 -8.438 705 HG12 ILE 81 1HG1 ILE 81 -18.010 -18.432 -8.067 706 HG13 ILE 81 2HG1 ILE 81 -17.571 -19.254 -9.561 707 HG21 ILE 81 1HG2 ILE 81 -16.448 -18.053 -6.333 708 HG22 ILE 81 2HG2 ILE 81 -15.968 -19.738 -6.137 709 HG23 ILE 81 3HG2 ILE 81 -14.751 -18.510 -6.483 710 HD11 ILE 81 3HD1 ILE 81 -17.210 -21.175 -7.605 711 HD12 ILE 81 1HD1 ILE 81 -18.673 -20.320 -7.115 712 HD13 ILE 81 2HD1 ILE 81 -18.570 -21.043 -8.721 713 H GLN 82 HN GLN 82 -13.983 -16.025 -7.947 714 HA GLN 82 HA GLN 82 -11.432 -17.339 -8.577 715 HB2 GLN 82 1HB GLN 82 -12.257 -14.760 -9.061 716 HB3 GLN 82 2HB GLN 82 -11.316 -14.585 -7.586 717 HG2 GLN 82 1HG GLN 82 -10.033 -14.250 -9.692 718 HG3 GLN 82 2HG GLN 82 -9.376 -15.483 -8.616 719 HE21 GLN 82 1HE2 GLN 82 -9.114 -17.499 -9.357 720 HE22 GLN 82 2HE2 GLN 82 -9.601 -18.048 -10.920 721 H CYS 83 HN CYS 83 -9.829 -15.896 -6.784 722 HA CYS 83 HA CYS 83 -10.398 -17.364 -4.344 723 HB2 CYS 83 1HB CYS 83 -8.010 -15.821 -5.339 724 HB3 CYS 83 2HB CYS 83 -8.111 -16.403 -3.681 725 HG CYS 83 HG CYS 83 -8.628 -19.114 -4.783 726 H ALA 84 HN ALA 84 -12.182 -15.243 -4.875 727 HA ALA 84 HA ALA 84 -13.100 -13.359 -3.965 728 HB1 ALA 84 1HB ALA 84 -11.770 -14.000 -1.376 729 HB2 ALA 84 2HB ALA 84 -13.428 -13.490 -1.696 730 HB3 ALA 84 3HB ALA 84 -12.929 -15.143 -2.055 731 HA PRO 85 HA PRO 85 -9.208 -10.889 -4.329 732 HB2 PRO 85 1HB PRO 85 -10.215 -9.163 -6.167 733 HB3 PRO 85 2HB PRO 85 -9.486 -10.713 -6.603 734 HG2 PRO 85 1HG PRO 85 -12.378 -9.991 -6.325 735 HG3 PRO 85 2HG PRO 85 -11.583 -10.962 -7.578 736 HD2 PRO 85 1HD PRO 85 -12.946 -12.074 -5.520 737 HD3 PRO 85 2HD PRO 85 -11.531 -12.851 -6.259 738 H ASP 86 HN ASP 86 -12.366 -10.410 -3.254 739 HA ASP 86 HA ASP 86 -13.418 -8.802 -2.027 740 HB2 ASP 86 1HB ASP 86 -10.723 -7.870 -1.092 741 HB3 ASP 86 2HB ASP 86 -12.222 -8.023 -0.180 742 H LEU 87 HN LEU 87 -12.733 -8.060 -4.711 743 HA LEU 87 HA LEU 87 -12.780 -6.240 -6.074 744 HB2 LEU 87 1HB LEU 87 -14.542 -5.607 -4.346 745 HB3 LEU 87 2HB LEU 87 -13.305 -4.578 -3.627 746 HG LEU 87 HG LEU 87 -13.480 -3.987 -6.413 747 HD11 LEU 87 1HD1 LEU 87 -15.685 -4.805 -6.527 748 HD12 LEU 87 2HD1 LEU 87 -15.835 -3.059 -6.326 749 HD13 LEU 87 3HD1 LEU 87 -16.102 -4.131 -4.951 750 HD21 LEU 87 3HD2 LEU 87 -13.995 -1.754 -5.569 751 HD22 LEU 87 1HD2 LEU 87 -12.666 -2.485 -4.668 752 HD23 LEU 87 2HD2 LEU 87 -14.281 -2.421 -3.960 753 H ALA 88 HN ALA 88 -10.340 -6.874 -5.844 754 HA ALA 88 HA ALA 88 -8.155 -6.225 -5.781 755 HB1 ALA 88 1HB ALA 88 -7.678 -4.056 -6.634 756 HB2 ALA 88 2HB ALA 88 -9.151 -4.616 -7.427 757 HB3 ALA 88 3HB ALA 88 -9.247 -3.439 -6.117 758 H THR 89 HN THR 89 -9.624 -6.310 -3.238 759 HA THR 89 HA THR 89 -9.212 -5.906 -1.035 760 HB THR 89 HB THR 89 -6.770 -4.307 -1.422 761 HG1 THR 89 1HG THR 89 -5.593 -5.991 -2.324 762 HG21 THR 89 3HG2 THR 89 -7.147 -6.949 -0.026 763 HG22 THR 89 1HG2 THR 89 -7.589 -5.409 0.709 764 HG23 THR 89 2HG2 THR 89 -5.910 -5.728 0.272 765 H ARG 90 HN ARG 90 -10.739 -4.518 -0.354 766 HA ARG 90 HA ARG 90 -10.502 -1.678 -1.009 767 HB2 ARG 90 1HB ARG 90 -12.704 -3.463 -0.115 768 HB3 ARG 90 2HB ARG 90 -12.780 -1.781 0.393 769 HG2 ARG 90 1HG ARG 90 -12.398 -2.583 -2.475 770 HG3 ARG 90 2HG ARG 90 -13.991 -2.381 -1.743 771 HD2 ARG 90 1HD ARG 90 -11.832 -0.291 -1.988 772 HD3 ARG 90 2HD ARG 90 -13.352 -0.347 -2.878 773 HE ARG 90 HE ARG 90 -12.948 0.627 -0.217 774 HH11 ARG 90 1HH1 ARG 90 -15.257 -0.822 -2.383 775 HH12 ARG 90 2HH1 ARG 90 -16.635 -0.197 -1.540 776 HH21 ARG 90 1HH2 ARG 90 -14.755 1.456 0.901 777 HH22 ARG 90 2HH2 ARG 90 -16.349 1.099 0.327 778 H SER 91 HN SER 91 -8.810 -3.190 0.981 779 HA SER 91 HA SER 91 -9.559 -1.897 3.489 780 HB2 SER 91 1HB SER 91 -7.718 -3.226 4.468 781 HB3 SER 91 2HB SER 91 -8.872 -4.242 3.603 782 HG SER 91 HG SER 91 -6.577 -4.649 3.180 783 H HIS 92 HN HIS 92 -8.855 -0.110 1.490 784 HA HIS 92 HA HIS 92 -6.281 0.910 2.497 785 HB2 HIS 92 1HB HIS 92 -7.361 1.048 -0.324 786 HB3 HIS 92 2HB HIS 92 -5.953 1.944 0.239 787 HD1 HIS 92 1HD HIS 92 -5.142 -0.767 1.999 788 HD2 HIS 92 2HD HIS 92 -5.584 -0.308 -2.107 789 HE1 HIS 92 1HE HIS 92 -3.783 -2.614 0.966 790 H SER 93 HN SER 93 -9.015 1.435 3.406 791 HA SER 93 HA SER 93 -8.850 4.265 3.596 792 HB2 SER 93 1HB SER 93 -11.238 4.544 2.563 793 HB3 SER 93 2HB SER 93 -9.831 4.518 1.501 794 HG SER 93 HG SER 93 -10.261 2.261 1.189 795 H GLY 94 HN GLY 94 -10.028 5.038 5.304 796 HA2 GLY 94 2HA GLY 94 -11.092 3.093 7.117 797 HA3 GLY 94 3HA GLY 94 -11.041 4.832 7.366 798 H SER 95 HN SER 95 -12.576 5.942 5.564 799 HA SER 95 HA SER 95 -14.711 6.339 4.873 800 HB2 SER 95 1HB SER 95 -15.595 3.535 5.365 801 HB3 SER 95 2HB SER 95 -15.945 4.603 4.006 802 HG SER 95 HG SER 95 -14.497 2.851 3.501 803 H ASP 96 HN ASP 96 -13.783 5.838 7.829 804 HA ASP 96 HA ASP 96 -16.491 6.018 8.979 805 HB2 ASP 96 1HB ASP 96 -14.004 4.704 10.051 806 HB3 ASP 96 2HB ASP 96 -15.309 5.204 11.124 807 H PHE 97 HN PHE 97 -13.809 7.748 8.228 808 HA PHE 97 HA PHE 97 -14.002 9.499 10.580 809 HB2 PHE 97 1HB PHE 97 -11.799 8.592 9.021 810 HB3 PHE 97 2HB PHE 97 -11.933 10.333 8.798 811 HD1 PHE 97 1HD PHE 97 -11.983 7.784 11.518 812 HD2 PHE 97 2HD PHE 97 -10.893 11.717 10.309 813 HE1 PHE 97 1HE PHE 97 -10.878 8.142 13.687 814 HE2 PHE 97 2HE PHE 97 -9.786 12.080 12.475 815 HZ PHE 97 HZ PHE 97 -9.776 10.291 14.168 816 H SER 98 HN SER 98 -15.593 9.223 7.861 817 HA SER 98 HA SER 98 -16.344 11.962 7.733 818 HB2 SER 98 1HB SER 98 -14.099 11.693 6.370 819 HB3 SER 98 2HB SER 98 -15.177 11.043 5.134 820 HG SER 98 HG SER 98 -15.058 13.223 4.794 821 H PHE 99 HN PHE 99 -17.835 9.760 8.224 822 HA PHE 99 HA PHE 99 -19.065 8.697 5.873 823 HB2 PHE 99 1HB PHE 99 -19.000 7.457 8.009 824 HB3 PHE 99 2HB PHE 99 -20.045 8.674 8.736 825 HD1 PHE 99 1HD PHE 99 -19.948 6.335 5.836 826 HD2 PHE 99 2HD PHE 99 -22.314 8.302 8.777 827 HE1 PHE 99 1HE PHE 99 -21.925 5.080 5.080 828 HE2 PHE 99 2HE PHE 99 -24.294 7.050 8.028 829 HZ PHE 99 HZ PHE 99 -24.102 5.436 6.177 830 H ARG 100 HN ARG 100 -19.462 10.830 4.869 831 HA ARG 100 HA ARG 100 -21.140 12.798 5.806 832 HB2 ARG 100 1HB ARG 100 -21.763 13.102 3.333 833 HB3 ARG 100 2HB ARG 100 -20.065 13.241 3.772 834 HG2 ARG 100 1HG ARG 100 -19.474 11.427 2.587 835 HG3 ARG 100 2HG ARG 100 -20.945 10.545 3.004 836 HD2 ARG 100 1HD ARG 100 -20.753 11.102 0.588 837 HD3 ARG 100 2HD ARG 100 -22.204 11.744 1.356 838 HE ARG 100 HE ARG 100 -20.008 13.597 1.303 839 HH11 ARG 100 1HH1 ARG 100 -22.736 12.337 -0.456 840 HH12 ARG 100 2HH1 ARG 100 -22.922 13.752 -1.437 841 HH21 ARG 100 1HH2 ARG 100 -20.244 15.465 0.016 842 HH22 ARG 100 2HH2 ARG 100 -21.504 15.531 -1.169 843 HA PRO 101 HA PRO 101 -25.214 11.186 6.054 844 HB2 PRO 101 1HB PRO 101 -26.699 13.308 5.240 845 HB3 PRO 101 2HB PRO 101 -25.871 13.257 6.801 846 HG2 PRO 101 1HG PRO 101 -25.032 14.587 4.253 847 HG3 PRO 101 2HG PRO 101 -24.949 15.200 5.915 848 HD2 PRO 101 1HD PRO 101 -22.797 14.175 4.631 849 HD3 PRO 101 2HD PRO 101 -23.023 14.025 6.386 850 H ILE 102 HN ILE 102 -27.420 11.410 4.660 851 HA ILE 102 HA ILE 102 -26.825 11.082 1.815 852 HB ILE 102 HB ILE 102 -28.548 9.032 3.164 853 HG12 ILE 102 1HG1 ILE 102 -25.557 9.150 3.061 854 HG13 ILE 102 2HG1 ILE 102 -26.607 8.601 4.363 855 HG21 ILE 102 1HG2 ILE 102 -26.838 8.584 0.763 856 HG22 ILE 102 2HG2 ILE 102 -28.386 7.860 1.194 857 HG23 ILE 102 3HG2 ILE 102 -28.323 9.521 0.603 858 HD11 ILE 102 3HD1 ILE 102 -25.680 6.638 3.612 859 HD12 ILE 102 1HD1 ILE 102 -27.204 6.685 2.725 860 HD13 ILE 102 2HD1 ILE 102 -25.702 7.148 1.924 861 H GLU 103 HN GLU 103 -28.213 13.118 3.357 862 HA GLU 103 HA GLU 103 -30.149 14.323 3.372 863 HB2 GLU 103 1HB GLU 103 -29.491 14.105 0.872 864 HB3 GLU 103 2HB GLU 103 -30.854 13.000 0.770 865 HG2 GLU 103 1HG GLU 103 -32.253 14.696 0.585 866 HG3 GLU 103 2HG GLU 103 -31.697 15.357 2.121 867 H GLU 104 HN GLU 104 -30.307 11.890 4.773 868 HA GLU 104 HA GLU 104 -32.655 10.431 4.115 869 HB2 GLU 104 1HB GLU 104 -31.015 10.659 6.634 870 HB3 GLU 104 2HB GLU 104 -32.454 9.653 6.541 871 HG2 GLU 104 1HG GLU 104 -30.917 8.969 4.311 872 HG3 GLU 104 2HG GLU 104 -29.781 9.107 5.651 873 H ALA 105 HN ALA 105 -34.230 12.061 3.752 874 HA ALA 105 HA ALA 105 -35.630 12.823 6.177 875 HB1 ALA 105 1HB ALA 105 -35.544 15.119 4.416 876 HB2 ALA 105 2HB ALA 105 -35.234 15.012 6.150 877 HB3 ALA 105 3HB ALA 105 -33.939 14.677 5.000 Start of MODEL 9 1 H1 GLY -5 HN GLY -5 0.551 0.661 -5.390 2 HA2 GLY -5 2HA GLY -5 0.229 -0.062 -2.667 3 HA3 GLY -5 3HA GLY -5 1.851 -0.469 -3.208 4 H SER -4 HN SER -4 1.310 1.394 -1.180 5 HA SER -4 HA SER -4 1.960 3.461 -0.486 6 HB2 SER -4 1HB SER -4 3.214 4.202 -3.069 7 HB3 SER -4 2HB SER -4 3.858 4.306 -1.431 8 HG SER -4 HG SER -4 4.367 2.466 -3.246 9 H HIS -3 HN HIS -3 -0.599 3.299 -1.394 10 HA HIS -3 HA HIS -3 -2.370 4.582 -2.021 11 HB2 HIS -3 1HB HIS -3 -0.383 6.859 -2.105 12 HB3 HIS -3 2HB HIS -3 -2.133 6.992 -1.960 13 HD1 HIS -3 1HD HIS -3 0.813 7.086 0.037 14 HD2 HIS -3 2HD HIS -3 -3.036 5.618 0.574 15 HE1 HIS -3 1HE HIS -3 0.523 6.856 2.524 16 H MET -2 HN MET -2 -1.285 3.130 -4.035 17 HA MET -2 HA MET -2 -1.848 4.823 -6.340 18 HB2 MET -2 1HB MET -2 0.540 2.994 -6.419 19 HB3 MET -2 2HB MET -2 0.101 4.270 -7.547 20 HG2 MET -2 1HG MET -2 0.454 5.865 -5.573 21 HG3 MET -2 2HG MET -2 1.283 4.510 -4.809 22 HE1 MET -2 3HE MET -2 1.651 7.575 -6.480 23 HE2 MET -2 1HE MET -2 3.001 7.490 -7.612 24 HE3 MET -2 2HE MET -2 1.408 6.910 -8.096 25 H ALA -1 HN ALA -1 -3.813 3.603 -6.325 26 HA ALA -1 HA ALA -1 -3.482 0.869 -7.378 27 HB1 ALA -1 1HB ALA -1 -5.267 0.082 -6.157 28 HB2 ALA -1 2HB ALA -1 -4.557 1.236 -5.027 29 HB3 ALA -1 3HB ALA -1 -5.981 1.684 -5.965 30 H SER 1 HN SER 1 -4.421 3.971 -8.086 31 HA SER 1 HA SER 1 -6.771 3.820 -9.503 32 HB2 SER 1 1HB SER 1 -4.291 5.400 -10.224 33 HB3 SER 1 2HB SER 1 -5.904 5.696 -10.871 34 HG SER 1 HG SER 1 -6.076 6.955 -9.194 35 H ALA 2 HN ALA 2 -3.501 3.345 -10.848 36 HA ALA 2 HA ALA 2 -4.359 2.537 -13.403 37 HB1 ALA 2 1HB ALA 2 -1.936 3.082 -12.226 38 HB2 ALA 2 2HB ALA 2 -1.834 1.354 -12.566 39 HB3 ALA 2 3HB ALA 2 -2.177 2.491 -13.870 40 H ASP 3 HN ASP 3 -4.241 0.873 -10.399 41 HA ASP 3 HA ASP 3 -4.167 -1.778 -11.515 42 HB2 ASP 3 1HB ASP 3 -3.485 -0.904 -9.109 43 HB3 ASP 3 2HB ASP 3 -5.174 -1.257 -8.753 44 H LEU 4 HN LEU 4 -6.645 0.375 -10.199 45 HA LEU 4 HA LEU 4 -8.775 -1.494 -10.419 46 HB2 LEU 4 1HB LEU 4 -8.758 0.515 -8.942 47 HB3 LEU 4 2HB LEU 4 -8.941 1.515 -10.382 48 HG LEU 4 HG LEU 4 -10.981 -0.584 -10.018 49 HD11 LEU 4 1HD1 LEU 4 -12.171 1.141 -8.453 50 HD12 LEU 4 2HD1 LEU 4 -10.519 1.586 -8.028 51 HD13 LEU 4 3HD1 LEU 4 -11.077 -0.070 -7.784 52 HD21 LEU 4 3HD2 LEU 4 -11.669 0.730 -11.705 53 HD22 LEU 4 1HD2 LEU 4 -10.684 2.095 -11.179 54 HD23 LEU 4 2HD2 LEU 4 -12.243 1.787 -10.414 55 H VAL 5 HN VAL 5 -7.512 1.043 -12.522 56 HA VAL 5 HA VAL 5 -9.579 0.833 -14.474 57 HB VAL 5 HB VAL 5 -6.793 1.977 -14.706 58 HG11 VAL 5 1HG1 VAL 5 -7.665 3.146 -16.694 59 HG12 VAL 5 2HG1 VAL 5 -7.639 1.393 -16.899 60 HG13 VAL 5 3HG1 VAL 5 -9.160 2.220 -16.560 61 HG21 VAL 5 3HG2 VAL 5 -9.105 2.905 -13.363 62 HG22 VAL 5 1HG2 VAL 5 -7.570 3.740 -13.604 63 HG23 VAL 5 2HG2 VAL 5 -8.870 3.926 -14.781 64 H SER 6 HN SER 6 -6.199 -0.296 -14.406 65 HA SER 6 HA SER 6 -6.232 -1.633 -16.859 66 HB2 SER 6 1HB SER 6 -4.193 -1.095 -15.489 67 HB3 SER 6 2HB SER 6 -4.619 -2.439 -14.430 68 HG SER 6 HG SER 6 -3.392 -3.466 -15.831 69 H SER 7 HN SER 7 -7.048 -2.763 -13.609 70 HA SER 7 HA SER 7 -7.473 -5.471 -14.343 71 HB2 SER 7 1HB SER 7 -7.043 -4.744 -12.013 72 HB3 SER 7 2HB SER 7 -8.616 -3.949 -11.988 73 HG SER 7 HG SER 7 -8.142 -6.401 -11.329 74 H CYS 8 HN CYS 8 -9.677 -2.730 -13.856 75 HA CYS 8 HA CYS 8 -12.065 -4.110 -14.365 76 HB2 CYS 8 1HB CYS 8 -11.243 -1.234 -14.448 77 HB3 CYS 8 2HB CYS 8 -12.813 -1.692 -15.098 78 HG CYS 8 HG CYS 8 -13.098 -0.685 -12.480 79 H LYS 9 HN LYS 9 -9.820 -2.448 -16.522 80 HA LYS 9 HA LYS 9 -11.392 -2.628 -18.860 81 HB2 LYS 9 1HB LYS 9 -9.589 -1.080 -18.859 82 HB3 LYS 9 2HB LYS 9 -8.427 -2.321 -18.407 83 HG2 LYS 9 1HG LYS 9 -9.726 -3.020 -20.873 84 HG3 LYS 9 2HG LYS 9 -9.029 -1.402 -20.973 85 HD2 LYS 9 1HD LYS 9 -6.955 -2.217 -21.065 86 HD3 LYS 9 2HD LYS 9 -7.231 -3.252 -19.662 87 HE2 LYS 9 1HE LYS 9 -7.743 -5.060 -20.930 88 HE3 LYS 9 2HE LYS 9 -8.510 -4.094 -22.189 89 HZ1 LYS 9 3HZ LYS 9 -5.641 -4.675 -21.808 90 HZ2 LYS 9 1HZ LYS 9 -6.144 -3.346 -22.726 91 HZ3 LYS 9 2HZ LYS 9 -6.595 -4.911 -23.185 92 H ASP 10 HN ASP 10 -8.630 -4.612 -17.783 93 HA ASP 10 HA ASP 10 -8.619 -6.473 -19.818 94 HB2 ASP 10 1HB ASP 10 -7.007 -6.225 -17.833 95 HB3 ASP 10 2HB ASP 10 -8.136 -7.245 -16.946 96 H LYS 11 HN LYS 11 -10.420 -6.648 -16.752 97 HA LYS 11 HA LYS 11 -11.717 -9.089 -17.327 98 HB2 LYS 11 1HB LYS 11 -11.553 -8.266 -15.052 99 HB3 LYS 11 2HB LYS 11 -12.492 -6.837 -15.465 100 HG2 LYS 11 1HG LYS 11 -14.007 -9.132 -16.176 101 HG3 LYS 11 2HG LYS 11 -13.410 -9.342 -14.528 102 HD2 LYS 11 1HD LYS 11 -15.158 -8.085 -13.916 103 HD3 LYS 11 2HD LYS 11 -14.229 -6.721 -14.543 104 HE2 LYS 11 1HE LYS 11 -15.383 -7.707 -16.811 105 HE3 LYS 11 2HE LYS 11 -16.632 -8.021 -15.607 106 HZ1 LYS 11 3HZ LYS 11 -16.907 -5.797 -15.180 107 HZ2 LYS 11 1HZ LYS 11 -16.561 -5.757 -16.836 108 HZ3 LYS 11 2HZ LYS 11 -15.358 -5.374 -15.711 109 H LEU 12 HN LEU 12 -13.002 -5.759 -17.392 110 HA LEU 12 HA LEU 12 -15.497 -6.265 -18.419 111 HB2 LEU 12 1HB LEU 12 -14.773 -4.068 -17.666 112 HB3 LEU 12 2HB LEU 12 -13.687 -3.937 -19.047 113 HG LEU 12 HG LEU 12 -16.223 -4.377 -20.142 114 HD11 LEU 12 1HD1 LEU 12 -17.780 -3.296 -18.961 115 HD12 LEU 12 2HD1 LEU 12 -16.677 -1.993 -18.520 116 HD13 LEU 12 3HD1 LEU 12 -16.684 -3.494 -17.594 117 HD21 LEU 12 3HD2 LEU 12 -15.964 -2.015 -20.877 118 HD22 LEU 12 1HD2 LEU 12 -14.534 -3.009 -21.155 119 HD23 LEU 12 2HD2 LEU 12 -14.571 -1.878 -19.802 120 H ALA 13 HN ALA 13 -12.454 -5.913 -20.184 121 HA ALA 13 HA ALA 13 -13.595 -6.070 -22.777 122 HB1 ALA 13 1HB ALA 13 -10.789 -6.585 -21.807 123 HB2 ALA 13 2HB ALA 13 -11.261 -6.542 -23.506 124 HB3 ALA 13 3HB ALA 13 -11.423 -5.097 -22.509 125 H TYR 14 HN TYR 14 -12.385 -8.462 -20.503 126 HA TYR 14 HA TYR 14 -12.585 -10.632 -22.391 127 HB2 TYR 14 1HB TYR 14 -10.891 -10.654 -20.601 128 HB3 TYR 14 2HB TYR 14 -12.171 -10.690 -19.394 129 HD1 TYR 14 2HD TYR 14 -11.793 -12.587 -22.585 130 HD2 TYR 14 1HD TYR 14 -12.028 -12.752 -18.339 131 HE1 TYR 14 2HE TYR 14 -11.815 -15.045 -22.687 132 HE2 TYR 14 1HE TYR 14 -12.048 -15.209 -18.430 133 HH TYR 14 HH TYR 14 -12.760 -16.948 -21.027 134 H PHE 15 HN PHE 15 -14.759 -8.928 -20.483 135 HA PHE 15 HA PHE 15 -16.605 -11.199 -20.262 136 HB2 PHE 15 1HB PHE 15 -16.442 -8.532 -18.887 137 HB3 PHE 15 2HB PHE 15 -17.950 -9.441 -18.901 138 HD1 PHE 15 1HD PHE 15 -14.432 -10.606 -18.569 139 HD2 PHE 15 2HD PHE 15 -18.261 -10.221 -16.751 140 HE1 PHE 15 1HE PHE 15 -13.648 -11.926 -16.646 141 HE2 PHE 15 2HE PHE 15 -17.483 -11.540 -14.825 142 HZ PHE 15 HZ PHE 15 -15.173 -12.394 -14.771 143 H ARG 16 HN ARG 16 -18.545 -11.243 -21.301 144 HA ARG 16 HA ARG 16 -18.878 -9.983 -23.725 145 HB2 ARG 16 1HB ARG 16 -20.170 -11.969 -22.590 146 HB3 ARG 16 2HB ARG 16 -21.295 -10.703 -22.115 147 HG2 ARG 16 1HG ARG 16 -21.880 -10.225 -24.318 148 HG3 ARG 16 2HG ARG 16 -20.449 -11.029 -24.968 149 HD2 ARG 16 1HD ARG 16 -22.448 -12.607 -23.409 150 HD3 ARG 16 2HD ARG 16 -22.792 -12.187 -25.087 151 HE ARG 16 HE ARG 16 -20.203 -13.325 -24.823 152 HH11 ARG 16 1HH1 ARG 16 -23.590 -14.128 -24.899 153 HH12 ARG 16 2HH1 ARG 16 -23.329 -15.736 -25.489 154 HH21 ARG 16 1HH2 ARG 16 -19.847 -15.439 -25.600 155 HH22 ARG 16 2HH2 ARG 16 -21.199 -16.481 -25.887 156 H ILE 17 HN ILE 17 -20.816 -8.549 -24.302 157 HA ILE 17 HA ILE 17 -20.428 -5.997 -23.319 158 HB ILE 17 HB ILE 17 -23.048 -6.955 -24.462 159 HG12 ILE 17 1HG1 ILE 17 -20.382 -6.547 -25.742 160 HG13 ILE 17 2HG1 ILE 17 -21.623 -7.744 -26.096 161 HG21 ILE 17 1HG2 ILE 17 -22.882 -4.639 -23.517 162 HG22 ILE 17 2HG2 ILE 17 -21.678 -4.291 -24.757 163 HG23 ILE 17 3HG2 ILE 17 -23.325 -4.716 -25.222 164 HD11 ILE 17 3HD1 ILE 17 -21.671 -6.377 -27.951 165 HD12 ILE 17 1HD1 ILE 17 -22.981 -5.730 -26.964 166 HD13 ILE 17 2HD1 ILE 17 -21.420 -4.910 -27.005 167 H LYS 18 HN LYS 18 -22.288 -8.568 -21.984 168 HA LYS 18 HA LYS 18 -24.267 -7.391 -20.534 169 HB2 LYS 18 1HB LYS 18 -22.869 -9.838 -20.444 170 HB3 LYS 18 2HB LYS 18 -22.859 -9.210 -18.802 171 HG2 LYS 18 1HG LYS 18 -24.775 -10.561 -18.972 172 HG3 LYS 18 2HG LYS 18 -25.353 -8.894 -19.040 173 HD2 LYS 18 1HD LYS 18 -24.837 -9.588 -21.691 174 HD3 LYS 18 2HD LYS 18 -25.603 -11.015 -20.989 175 HE2 LYS 18 1HE LYS 18 -27.527 -9.804 -20.374 176 HE3 LYS 18 2HE LYS 18 -26.728 -8.252 -20.621 177 HZ1 LYS 18 3HZ LYS 18 -26.560 -8.959 -23.037 178 HZ2 LYS 18 1HZ LYS 18 -28.097 -8.534 -22.472 179 HZ3 LYS 18 2HZ LYS 18 -27.687 -10.163 -22.662 180 H GLU 19 HN GLU 19 -20.857 -7.641 -19.545 181 HA GLU 19 HA GLU 19 -21.113 -6.306 -17.096 182 HB2 GLU 19 1HB GLU 19 -18.807 -6.734 -18.975 183 HB3 GLU 19 2HB GLU 19 -18.614 -5.767 -17.519 184 HG2 GLU 19 1HG GLU 19 -19.446 -8.655 -17.657 185 HG3 GLU 19 2HG GLU 19 -17.891 -8.028 -17.115 186 H LEU 20 HN LEU 20 -20.047 -5.035 -20.251 187 HA LEU 20 HA LEU 20 -19.763 -2.369 -19.474 188 HB2 LEU 20 1HB LEU 20 -20.466 -3.575 -22.142 189 HB3 LEU 20 2HB LEU 20 -20.104 -1.866 -21.910 190 HG LEU 20 HG LEU 20 -17.859 -2.749 -20.929 191 HD11 LEU 20 1HD1 LEU 20 -17.305 -4.854 -22.426 192 HD12 LEU 20 2HD1 LEU 20 -19.031 -5.150 -22.224 193 HD13 LEU 20 3HD1 LEU 20 -17.988 -5.020 -20.808 194 HD21 LEU 20 3HD2 LEU 20 -17.103 -3.061 -23.445 195 HD22 LEU 20 1HD2 LEU 20 -17.581 -1.487 -22.807 196 HD23 LEU 20 2HD2 LEU 20 -18.725 -2.439 -23.754 197 H LYS 21 HN LYS 21 -22.596 -4.208 -20.362 198 HA LYS 21 HA LYS 21 -24.343 -2.011 -20.775 199 HB2 LYS 21 1HB LYS 21 -24.540 -4.663 -21.230 200 HB3 LYS 21 2HB LYS 21 -25.473 -4.548 -19.743 201 HG2 LYS 21 1HG LYS 21 -26.696 -2.612 -20.955 202 HG3 LYS 21 2HG LYS 21 -26.020 -3.335 -22.416 203 HD2 LYS 21 1HD LYS 21 -27.101 -5.433 -20.853 204 HD3 LYS 21 2HD LYS 21 -28.304 -4.143 -20.908 205 HE2 LYS 21 1HE LYS 21 -26.909 -5.196 -23.358 206 HE3 LYS 21 2HE LYS 21 -28.427 -5.861 -22.759 207 HZ1 LYS 21 3HZ LYS 21 -28.087 -3.668 -24.415 208 HZ2 LYS 21 1HZ LYS 21 -28.609 -3.049 -22.930 209 HZ3 LYS 21 2HZ LYS 21 -29.529 -4.222 -23.727 210 H ASP 22 HN ASP 22 -23.682 -4.073 -17.964 211 HA ASP 22 HA ASP 22 -25.564 -2.903 -16.234 212 HB2 ASP 22 1HB ASP 22 -24.146 -5.079 -15.981 213 HB3 ASP 22 2HB ASP 22 -22.962 -4.011 -15.232 214 H ILE 23 HN ILE 23 -22.199 -2.109 -16.940 215 HA ILE 23 HA ILE 23 -21.902 -0.149 -14.916 216 HB ILE 23 HB ILE 23 -20.419 -0.441 -17.531 217 HG12 ILE 23 1HG1 ILE 23 -20.178 -2.412 -16.135 218 HG13 ILE 23 2HG1 ILE 23 -18.677 -1.494 -16.107 219 HG21 ILE 23 1HG2 ILE 23 -20.006 1.335 -15.158 220 HG22 ILE 23 2HG2 ILE 23 -18.640 0.824 -16.147 221 HG23 ILE 23 3HG2 ILE 23 -19.961 1.737 -16.874 222 HD11 ILE 23 3HD1 ILE 23 -20.769 -1.668 -13.962 223 HD12 ILE 23 1HD1 ILE 23 -19.097 -2.225 -13.900 224 HD13 ILE 23 2HD1 ILE 23 -19.451 -0.497 -13.941 225 H LEU 24 HN LEU 24 -22.355 0.231 -18.437 226 HA LEU 24 HA LEU 24 -22.716 3.003 -18.409 227 HB2 LEU 24 1HB LEU 24 -22.680 2.645 -20.592 228 HB3 LEU 24 2HB LEU 24 -22.805 0.910 -20.306 229 HG LEU 24 HG LEU 24 -25.257 2.635 -20.411 230 HD11 LEU 24 1HD1 LEU 24 -25.391 2.563 -22.702 231 HD12 LEU 24 2HD1 LEU 24 -24.278 1.203 -22.836 232 HD13 LEU 24 3HD1 LEU 24 -23.660 2.814 -22.473 233 HD21 LEU 24 3HD2 LEU 24 -25.753 0.170 -21.536 234 HD22 LEU 24 1HD2 LEU 24 -26.131 0.652 -19.882 235 HD23 LEU 24 2HD2 LEU 24 -24.626 -0.200 -20.230 236 H ASN 25 HN ASN 25 -24.884 0.414 -17.634 237 HA ASN 25 HA ASN 25 -27.299 1.926 -17.892 238 HB2 ASN 25 1HB ASN 25 -27.796 -0.309 -18.015 239 HB3 ASN 25 2HB ASN 25 -26.549 -0.761 -16.857 240 HD21 ASN 25 1HD2 ASN 25 -26.980 -0.569 -14.637 241 HD22 ASN 25 2HD2 ASN 25 -28.599 -0.504 -14.039 242 H GLN 26 HN GLN 26 -25.245 0.954 -15.165 243 HA GLN 26 HA GLN 26 -26.834 2.212 -13.179 244 HB2 GLN 26 1HB GLN 26 -24.048 1.114 -13.268 245 HB3 GLN 26 2HB GLN 26 -24.570 2.057 -11.878 246 HG2 GLN 26 1HG GLN 26 -26.264 0.501 -11.339 247 HG3 GLN 26 2HG GLN 26 -26.080 -0.337 -12.879 248 HE21 GLN 26 1HE2 GLN 26 -23.463 -0.748 -13.122 249 HE22 GLN 26 2HE2 GLN 26 -22.855 -1.716 -11.827 250 H LEU 27 HN LEU 27 -24.315 3.315 -15.306 251 HA LEU 27 HA LEU 27 -23.592 5.660 -13.900 252 HB2 LEU 27 1HB LEU 27 -23.380 4.830 -16.777 253 HB3 LEU 27 2HB LEU 27 -22.849 6.418 -16.229 254 HG LEU 27 HG LEU 27 -21.768 3.947 -14.933 255 HD11 LEU 27 1HD1 LEU 27 -19.834 4.364 -16.654 256 HD12 LEU 27 2HD1 LEU 27 -21.146 4.990 -17.652 257 HD13 LEU 27 3HD1 LEU 27 -21.202 3.328 -17.064 258 HD21 LEU 27 3HD2 LEU 27 -21.445 6.478 -14.255 259 HD22 LEU 27 1HD2 LEU 27 -20.223 6.417 -15.526 260 HD23 LEU 27 2HD2 LEU 27 -20.119 5.319 -14.149 261 H GLY 28 HN GLY 28 -26.239 4.869 -16.015 262 HA2 GLY 28 2HA GLY 28 -28.249 6.055 -16.178 263 HA3 GLY 28 3HA GLY 28 -27.476 7.428 -15.401 264 H LEU 29 HN LEU 29 -26.008 5.830 -18.126 265 HA LEU 29 HA LEU 29 -26.850 8.036 -19.878 266 HB2 LEU 29 1HB LEU 29 -24.431 7.710 -20.846 267 HB3 LEU 29 2HB LEU 29 -24.735 8.779 -19.478 268 HG LEU 29 HG LEU 29 -24.017 6.922 -17.967 269 HD11 LEU 29 1HD1 LEU 29 -24.454 5.103 -19.609 270 HD12 LEU 29 2HD1 LEU 29 -22.861 5.027 -18.856 271 HD13 LEU 29 3HD1 LEU 29 -23.029 5.633 -20.504 272 HD21 LEU 29 3HD2 LEU 29 -21.916 7.712 -18.013 273 HD22 LEU 29 1HD2 LEU 29 -22.533 8.782 -19.272 274 HD23 LEU 29 2HD2 LEU 29 -21.688 7.298 -19.713 275 HA PRO 30 HA PRO 30 -27.291 3.735 -21.760 276 HB2 PRO 30 1HB PRO 30 -29.984 3.820 -22.090 277 HB3 PRO 30 2HB PRO 30 -29.215 3.210 -20.620 278 HG2 PRO 30 1HG PRO 30 -30.419 5.899 -21.152 279 HG3 PRO 30 2HG PRO 30 -30.563 4.873 -19.712 280 HD2 PRO 30 1HD PRO 30 -28.875 6.987 -19.833 281 HD3 PRO 30 2HD PRO 30 -28.513 5.529 -18.887 282 H LYS 31 HN LYS 31 -26.133 5.085 -23.402 283 HA LYS 31 HA LYS 31 -27.561 5.157 -25.817 284 HB2 LYS 31 1HB LYS 31 -28.314 7.302 -24.457 285 HB3 LYS 31 2HB LYS 31 -26.797 7.945 -25.073 286 HG2 LYS 31 1HG LYS 31 -28.020 8.570 -26.833 287 HG3 LYS 31 2HG LYS 31 -27.882 6.880 -27.326 288 HD2 LYS 31 1HD LYS 31 -30.096 7.785 -25.517 289 HD3 LYS 31 2HD LYS 31 -30.223 7.969 -27.268 290 HE2 LYS 31 1HE LYS 31 -29.341 5.362 -26.913 291 HE3 LYS 31 2HE LYS 31 -30.517 5.600 -25.621 292 HZ1 LYS 31 3HZ LYS 31 -32.000 5.099 -27.197 293 HZ2 LYS 31 1HZ LYS 31 -30.926 5.405 -28.468 294 HZ3 LYS 31 2HZ LYS 31 -31.766 6.683 -27.745 295 H GLN 32 HN GLN 32 -25.335 3.893 -25.435 296 HA GLN 32 HA GLN 32 -23.133 5.603 -26.363 297 HB2 GLN 32 1HB GLN 32 -23.295 3.307 -24.588 298 HB3 GLN 32 2HB GLN 32 -22.091 3.074 -25.848 299 HG2 GLN 32 1HG GLN 32 -20.767 4.112 -24.357 300 HG3 GLN 32 2HG GLN 32 -21.449 5.556 -25.104 301 HE21 GLN 32 1HE2 GLN 32 -23.807 5.924 -24.054 302 HE22 GLN 32 2HE2 GLN 32 -23.751 6.058 -22.332 303 H GLY 33 HN GLY 33 -21.498 3.862 -27.607 304 HA2 GLY 33 2HA GLY 33 -23.041 3.213 -30.015 305 HA3 GLY 33 3HA GLY 33 -21.301 3.444 -29.938 306 H LYS 34 HN LYS 34 -20.181 1.651 -30.235 307 HA LYS 34 HA LYS 34 -21.448 -0.928 -29.664 308 HB2 LYS 34 1HB LYS 34 -19.719 -1.898 -31.085 309 HB3 LYS 34 2HB LYS 34 -20.543 -0.591 -31.924 310 HG2 LYS 34 1HG LYS 34 -18.170 0.278 -30.467 311 HG3 LYS 34 2HG LYS 34 -17.836 -0.907 -31.733 312 HD2 LYS 34 1HD LYS 34 -18.830 0.471 -33.398 313 HD3 LYS 34 2HD LYS 34 -19.501 1.563 -32.184 314 HE2 LYS 34 1HE LYS 34 -17.433 2.513 -31.716 315 HE3 LYS 34 2HE LYS 34 -16.544 1.140 -32.374 316 HZ1 LYS 34 3HZ LYS 34 -17.284 1.794 -34.593 317 HZ2 LYS 34 1HZ LYS 34 -16.400 3.029 -33.848 318 HZ3 LYS 34 2HZ LYS 34 -18.086 3.135 -33.944 319 H LYS 35 HN LYS 35 -19.384 -2.597 -29.282 320 HA LYS 35 HA LYS 35 -18.791 -2.434 -26.601 321 HB2 LYS 35 1HB LYS 35 -17.826 -4.005 -28.877 322 HB3 LYS 35 2HB LYS 35 -16.634 -3.828 -27.597 323 HG2 LYS 35 1HG LYS 35 -19.440 -4.846 -27.205 324 HG3 LYS 35 2HG LYS 35 -18.004 -5.860 -27.369 325 HD2 LYS 35 1HD LYS 35 -17.994 -3.718 -25.302 326 HD3 LYS 35 2HD LYS 35 -18.951 -5.170 -24.999 327 HE2 LYS 35 1HE LYS 35 -16.121 -5.421 -25.924 328 HE3 LYS 35 2HE LYS 35 -16.457 -5.052 -24.233 329 HZ1 LYS 35 3HZ LYS 35 -16.520 -7.539 -25.486 330 HZ2 LYS 35 1HZ LYS 35 -18.113 -7.167 -25.055 331 HZ3 LYS 35 2HZ LYS 35 -16.899 -7.177 -23.878 332 H GLN 36 HN GLN 36 -17.184 -0.899 -29.274 333 HA GLN 36 HA GLN 36 -14.766 -0.258 -27.920 334 HB2 GLN 36 1HB GLN 36 -16.013 0.351 -30.497 335 HB3 GLN 36 2HB GLN 36 -15.057 1.680 -29.857 336 HG2 GLN 36 1HG GLN 36 -14.065 -1.136 -30.234 337 HG3 GLN 36 2HG GLN 36 -13.779 0.201 -31.346 338 HE21 GLN 36 1HE2 GLN 36 -13.071 -1.113 -28.197 339 HE22 GLN 36 2HE2 GLN 36 -11.681 -0.138 -27.882 340 H ASP 37 HN ASP 37 -17.728 1.586 -28.596 341 HA ASP 37 HA ASP 37 -16.935 3.969 -27.343 342 HB2 ASP 37 1HB ASP 37 -19.328 2.900 -28.527 343 HB3 ASP 37 2HB ASP 37 -19.730 3.715 -27.018 344 H LEU 38 HN LEU 38 -18.809 1.217 -26.096 345 HA LEU 38 HA LEU 38 -19.275 2.218 -23.530 346 HB2 LEU 38 1HB LEU 38 -18.956 -0.616 -24.497 347 HB3 LEU 38 2HB LEU 38 -19.506 -0.187 -22.879 348 HG LEU 38 HG LEU 38 -20.923 0.413 -25.474 349 HD11 LEU 38 1HD1 LEU 38 -22.381 -1.099 -23.504 350 HD12 LEU 38 2HD1 LEU 38 -20.871 -1.906 -23.926 351 HD13 LEU 38 3HD1 LEU 38 -22.030 -1.489 -25.188 352 HD21 LEU 38 3HD2 LEU 38 -22.716 1.295 -24.078 353 HD22 LEU 38 1HD2 LEU 38 -21.227 2.214 -23.849 354 HD23 LEU 38 2HD2 LEU 38 -21.733 1.038 -22.636 355 H ILE 39 HN ILE 39 -16.735 -0.057 -24.580 356 HA ILE 39 HA ILE 39 -15.358 -0.275 -22.198 357 HB ILE 39 HB ILE 39 -14.606 -0.580 -25.049 358 HG12 ILE 39 1HG1 ILE 39 -13.636 -2.530 -23.118 359 HG13 ILE 39 2HG1 ILE 39 -15.363 -2.241 -22.948 360 HG21 ILE 39 1HG2 ILE 39 -12.668 0.586 -24.447 361 HG22 ILE 39 2HG2 ILE 39 -12.618 -0.148 -22.845 362 HG23 ILE 39 3HG2 ILE 39 -12.230 -1.113 -24.269 363 HD11 ILE 39 3HD1 ILE 39 -14.262 -2.717 -25.666 364 HD12 ILE 39 1HD1 ILE 39 -14.441 -4.083 -24.564 365 HD13 ILE 39 2HD1 ILE 39 -15.847 -3.111 -25.000 366 H ASP 40 HN ASP 40 -14.693 2.026 -24.839 367 HA ASP 40 HA ASP 40 -12.628 3.421 -23.590 368 HB2 ASP 40 1HB ASP 40 -13.672 3.555 -26.029 369 HB3 ASP 40 2HB ASP 40 -14.536 4.920 -25.326 370 H ARG 41 HN ARG 41 -16.084 3.635 -23.187 371 HA ARG 41 HA ARG 41 -16.150 6.147 -21.871 372 HB2 ARG 41 1HB ARG 41 -18.019 4.093 -22.601 373 HB3 ARG 41 2HB ARG 41 -18.289 4.559 -20.927 374 HG2 ARG 41 1HG ARG 41 -17.986 6.685 -22.990 375 HG3 ARG 41 2HG ARG 41 -19.508 5.798 -22.874 376 HD2 ARG 41 1HD ARG 41 -19.558 6.370 -20.441 377 HD3 ARG 41 2HD ARG 41 -18.155 7.402 -20.711 378 HE ARG 41 HE ARG 41 -20.376 7.985 -22.442 379 HH11 ARG 41 1HH1 ARG 41 -18.921 8.595 -19.338 380 HH12 ARG 41 2HH1 ARG 41 -19.699 10.129 -19.129 381 HH21 ARG 41 1HH2 ARG 41 -21.406 10.003 -22.178 382 HH22 ARG 41 2HH2 ARG 41 -21.114 10.928 -20.744 383 H VAL 42 HN VAL 42 -16.167 2.804 -20.651 384 HA VAL 42 HA VAL 42 -16.266 3.384 -17.927 385 HB VAL 42 HB VAL 42 -15.031 1.059 -19.395 386 HG11 VAL 42 1HG1 VAL 42 -15.081 -0.082 -17.151 387 HG12 VAL 42 2HG1 VAL 42 -13.839 1.157 -17.344 388 HG13 VAL 42 3HG1 VAL 42 -15.306 1.512 -16.432 389 HG21 VAL 42 3HG2 VAL 42 -17.287 0.803 -19.664 390 HG22 VAL 42 1HG2 VAL 42 -17.084 0.003 -18.106 391 HG23 VAL 42 2HG2 VAL 42 -17.675 1.664 -18.175 392 H LEU 43 HN LEU 43 -13.385 2.668 -19.907 393 HA LEU 43 HA LEU 43 -11.490 3.163 -17.912 394 HB2 LEU 43 1HB LEU 43 -10.998 3.733 -20.814 395 HB3 LEU 43 2HB LEU 43 -9.868 3.130 -19.604 396 HG LEU 43 HG LEU 43 -12.033 1.634 -21.054 397 HD11 LEU 43 1HD1 LEU 43 -10.276 0.243 -21.795 398 HD12 LEU 43 2HD1 LEU 43 -9.140 0.933 -20.636 399 HD13 LEU 43 3HD1 LEU 43 -9.705 1.900 -21.997 400 HD21 LEU 43 3HD2 LEU 43 -12.378 0.892 -18.859 401 HD22 LEU 43 1HD2 LEU 43 -10.657 0.940 -18.478 402 HD23 LEU 43 2HD2 LEU 43 -11.285 -0.301 -19.563 403 H ALA 44 HN ALA 44 -13.038 5.329 -20.221 404 HA ALA 44 HA ALA 44 -11.432 7.596 -19.709 405 HB1 ALA 44 1HB ALA 44 -12.747 7.525 -21.702 406 HB2 ALA 44 2HB ALA 44 -14.239 7.353 -20.776 407 HB3 ALA 44 3HB ALA 44 -13.332 8.865 -20.716 408 H LEU 45 HN LEU 45 -14.085 6.157 -18.008 409 HA LEU 45 HA LEU 45 -14.715 8.499 -16.457 410 HB2 LEU 45 1HB LEU 45 -16.583 7.345 -16.176 411 HB3 LEU 45 2HB LEU 45 -15.847 5.920 -16.907 412 HG LEU 45 HG LEU 45 -14.884 5.456 -14.576 413 HD11 LEU 45 1HD1 LEU 45 -16.166 7.912 -14.055 414 HD12 LEU 45 2HD1 LEU 45 -15.338 6.850 -12.917 415 HD13 LEU 45 3HD1 LEU 45 -17.069 6.664 -13.197 416 HD21 LEU 45 3HD2 LEU 45 -16.779 4.181 -13.983 417 HD22 LEU 45 1HD2 LEU 45 -16.798 4.278 -15.744 418 HD23 LEU 45 2HD2 LEU 45 -17.880 5.297 -14.794 419 H LEU 46 HN LEU 46 -12.988 5.452 -15.903 420 HA LEU 46 HA LEU 46 -12.263 6.197 -13.212 421 HB2 LEU 46 1HB LEU 46 -10.983 3.970 -14.742 422 HB3 LEU 46 2HB LEU 46 -11.311 4.089 -13.015 423 HG LEU 46 HG LEU 46 -13.474 3.769 -15.087 424 HD11 LEU 46 1HD1 LEU 46 -11.595 1.888 -14.683 425 HD12 LEU 46 2HD1 LEU 46 -13.278 1.525 -15.063 426 HD13 LEU 46 3HD1 LEU 46 -12.723 1.481 -13.390 427 HD21 LEU 46 3HD2 LEU 46 -14.912 3.840 -13.385 428 HD22 LEU 46 1HD2 LEU 46 -13.586 4.496 -12.426 429 HD23 LEU 46 2HD2 LEU 46 -13.921 2.765 -12.398 430 H THR 47 HN THR 47 -11.156 7.044 -16.226 431 HA THR 47 HA THR 47 -8.418 7.511 -15.240 432 HB THR 47 HB THR 47 -9.371 7.385 -18.108 433 HG1 THR 47 1HG THR 47 -7.838 5.475 -17.949 434 HG21 THR 47 3HG2 THR 47 -6.924 8.359 -16.865 435 HG22 THR 47 1HG2 THR 47 -7.507 8.559 -18.517 436 HG23 THR 47 2HG2 THR 47 -6.625 7.100 -18.063 437 H ASP 48 HN ASP 48 -10.676 8.971 -17.590 438 HA ASP 48 HA ASP 48 -9.552 11.580 -17.215 439 HB2 ASP 48 1HB ASP 48 -11.395 10.311 -19.037 440 HB3 ASP 48 2HB ASP 48 -12.052 11.846 -18.475 441 H GLU 49 HN GLU 49 -11.749 9.743 -15.471 442 HA GLU 49 HA GLU 49 -12.787 12.160 -14.148 443 HB2 GLU 49 1HB GLU 49 -14.260 10.006 -15.394 444 HB3 GLU 49 2HB GLU 49 -14.648 10.116 -13.683 445 HG2 GLU 49 1HG GLU 49 -15.114 12.539 -14.014 446 HG3 GLU 49 2HG GLU 49 -14.895 12.290 -15.745 447 H GLN 50 HN GLN 50 -10.505 10.263 -13.630 448 HA GLN 50 HA GLN 50 -11.196 8.749 -11.311 449 HB2 GLN 50 1HB GLN 50 -9.031 8.012 -11.330 450 HB3 GLN 50 2HB GLN 50 -9.154 8.565 -12.995 451 HG2 GLN 50 1HG GLN 50 -8.180 10.418 -10.867 452 HG3 GLN 50 2HG GLN 50 -7.097 9.218 -11.571 453 HE21 GLN 50 1HE2 GLN 50 -9.481 11.630 -12.619 454 HE22 GLN 50 2HE2 GLN 50 -8.550 12.223 -13.947 455 H GLY 51 HN GLY 51 -11.013 12.001 -11.765 456 HA2 GLY 51 2HA GLY 51 -9.586 12.854 -9.460 457 HA3 GLY 51 3HA GLY 51 -10.729 13.817 -10.383 458 H GLN 52 HN GLN 52 -12.507 11.241 -9.717 459 HA GLN 52 HA GLN 52 -13.907 12.543 -7.581 460 HB2 GLN 52 1HB GLN 52 -14.329 10.082 -9.221 461 HB3 GLN 52 2HB GLN 52 -15.222 10.259 -7.717 462 HG2 GLN 52 1HG GLN 52 -16.694 11.164 -9.209 463 HG3 GLN 52 2HG GLN 52 -15.823 12.604 -8.683 464 HE21 GLN 52 1HE2 GLN 52 -14.145 13.421 -10.061 465 HE22 GLN 52 2HE2 GLN 52 -14.225 13.157 -11.766 466 H ARG 53 HN ARG 53 -11.657 12.290 -6.382 467 HA ARG 53 HA ARG 53 -11.838 9.864 -4.719 468 HB2 ARG 53 1HB ARG 53 -9.366 11.523 -5.240 469 HB3 ARG 53 2HB ARG 53 -9.451 10.019 -4.333 470 HG2 ARG 53 1HG ARG 53 -10.485 9.237 -6.708 471 HG3 ARG 53 2HG ARG 53 -9.343 10.478 -7.227 472 HD2 ARG 53 1HD ARG 53 -8.788 7.987 -5.634 473 HD3 ARG 53 2HD ARG 53 -8.160 8.424 -7.222 474 HE ARG 53 HE ARG 53 -7.236 10.406 -5.638 475 HH11 ARG 53 1HH1 ARG 53 -7.129 6.934 -5.415 476 HH12 ARG 53 2HH1 ARG 53 -5.624 6.905 -4.557 477 HH21 ARG 53 1HH2 ARG 53 -5.254 10.382 -4.509 478 HH22 ARG 53 2HH2 ARG 53 -4.559 8.867 -4.041 479 H HIS 54 HN HIS 54 -12.134 13.220 -4.802 480 HA HIS 54 HA HIS 54 -11.354 13.738 -2.079 481 HB2 HIS 54 1HB HIS 54 -11.978 15.295 -4.382 482 HB3 HIS 54 2HB HIS 54 -13.054 15.798 -3.081 483 HD1 HIS 54 1HD HIS 54 -10.304 17.141 -4.428 484 HD2 HIS 54 2HD HIS 54 -10.955 15.700 -0.586 485 HE1 HIS 54 1HE HIS 54 -8.600 18.292 -2.981 486 H HIS 55 HN HIS 55 -14.491 14.331 -3.657 487 HA HIS 55 HA HIS 55 -16.007 12.702 -1.936 488 HB2 HIS 55 1HB HIS 55 -17.028 14.334 -0.471 489 HB3 HIS 55 2HB HIS 55 -15.280 14.397 -0.262 490 HD1 HIS 55 1HD HIS 55 -18.103 16.325 -1.868 491 HD2 HIS 55 2HD HIS 55 -14.134 16.842 -0.754 492 HE1 HIS 55 1HE HIS 55 -17.634 18.777 -2.169 493 H GLY 56 HN GLY 56 -18.363 13.088 -2.168 494 HA2 GLY 56 2HA GLY 56 -20.155 14.238 -3.314 495 HA3 GLY 56 3HA GLY 56 -19.007 14.668 -4.573 496 H TRP 57 HN TRP 57 -19.626 11.529 -3.037 497 HA TRP 57 HA TRP 57 -20.282 10.473 -5.710 498 HB2 TRP 57 1HB TRP 57 -19.550 8.416 -3.822 499 HB3 TRP 57 2HB TRP 57 -18.818 8.815 -5.374 500 HD1 TRP 57 HD TRP 57 -16.758 10.588 -5.329 501 HE1 TRP 57 1HE TRP 57 -15.081 11.160 -3.463 502 HE3 TRP 57 3HE TRP 57 -19.289 8.639 -1.337 503 HZ2 TRP 57 2HZ TRP 57 -14.859 10.829 -0.669 504 HZ3 TRP 57 3HZ TRP 57 -18.274 8.807 0.898 505 HH2 TRP 57 HH TRP 57 -16.105 9.879 1.223 506 H GLY 58 HN GLY 58 -20.715 9.217 -2.405 507 HA2 GLY 58 2HA GLY 58 -23.086 9.436 -1.530 508 HA3 GLY 58 3HA GLY 58 -23.551 8.755 -3.082 509 H ARG 59 HN ARG 59 -20.735 7.283 -2.387 510 HA ARG 59 HA ARG 59 -20.128 5.239 -1.591 511 HB2 ARG 59 1HB ARG 59 -20.632 4.884 0.566 512 HB3 ARG 59 2HB ARG 59 -21.562 6.372 0.465 513 HG2 ARG 59 1HG ARG 59 -23.467 4.789 -0.353 514 HG3 ARG 59 2HG ARG 59 -22.501 3.546 0.443 515 HD2 ARG 59 1HD ARG 59 -23.692 4.151 2.257 516 HD3 ARG 59 2HD ARG 59 -22.503 5.449 2.351 517 HE ARG 59 HE ARG 59 -24.402 6.521 0.781 518 HH11 ARG 59 1HH1 ARG 59 -24.546 4.880 3.848 519 HH12 ARG 59 2HH1 ARG 59 -25.941 5.749 4.395 520 HH21 ARG 59 1HH2 ARG 59 -26.240 7.672 1.490 521 HH22 ARG 59 2HH2 ARG 59 -26.905 7.336 3.052 522 H LYS 60 HN LYS 60 -22.570 5.791 -3.508 523 HA LYS 60 HA LYS 60 -22.858 3.184 -4.447 524 HB2 LYS 60 1HB LYS 60 -24.325 3.478 -2.140 525 HB3 LYS 60 2HB LYS 60 -25.519 3.814 -3.388 526 HG2 LYS 60 1HG LYS 60 -23.904 1.469 -3.979 527 HG3 LYS 60 2HG LYS 60 -24.796 1.332 -2.461 528 HD2 LYS 60 1HD LYS 60 -26.872 1.675 -3.540 529 HD3 LYS 60 2HD LYS 60 -26.093 2.222 -5.027 530 HE2 LYS 60 1HE LYS 60 -26.858 0.002 -5.406 531 HE3 LYS 60 2HE LYS 60 -25.105 -0.073 -5.240 532 HZ1 LYS 60 3HZ LYS 60 -25.446 -1.616 -3.703 533 HZ2 LYS 60 1HZ LYS 60 -27.114 -1.337 -3.673 534 HZ3 LYS 60 2HZ LYS 60 -26.085 -0.415 -2.699 535 H ASN 61 HN ASN 61 -22.485 5.835 -5.429 536 HA ASN 61 HA ASN 61 -24.874 6.805 -6.640 537 HB2 ASN 61 1HB ASN 61 -23.177 8.081 -8.103 538 HB3 ASN 61 2HB ASN 61 -23.190 8.421 -6.375 539 HD21 ASN 61 1HD2 ASN 61 -21.561 7.426 -5.059 540 HD22 ASN 61 2HD2 ASN 61 -20.028 7.022 -5.747 541 H SER 62 HN SER 62 -23.001 4.115 -7.262 542 HA SER 62 HA SER 62 -22.763 2.682 -9.022 543 HB2 SER 62 1HB SER 62 -25.309 3.541 -10.267 544 HB3 SER 62 2HB SER 62 -24.771 1.930 -9.792 545 HG SER 62 HG SER 62 -25.190 2.568 -7.603 546 H LEU 63 HN LEU 63 -21.452 5.083 -9.449 547 HA LEU 63 HA LEU 63 -21.254 5.077 -12.311 548 HB2 LEU 63 1HB LEU 63 -21.575 7.563 -12.491 549 HB3 LEU 63 2HB LEU 63 -23.038 6.614 -12.240 550 HG LEU 63 HG LEU 63 -22.462 7.270 -9.690 551 HD11 LEU 63 1HD1 LEU 63 -20.976 8.904 -9.522 552 HD12 LEU 63 2HD1 LEU 63 -22.033 9.939 -10.481 553 HD13 LEU 63 3HD1 LEU 63 -20.798 8.964 -11.276 554 HD21 LEU 63 3HD2 LEU 63 -24.591 7.569 -10.930 555 HD22 LEU 63 1HD2 LEU 63 -23.945 9.064 -11.607 556 HD23 LEU 63 2HD2 LEU 63 -24.200 8.922 -9.867 557 H THR 64 HN THR 64 -19.586 4.554 -9.978 558 HA THR 64 HA THR 64 -17.371 6.341 -10.675 559 HB THR 64 HB THR 64 -16.729 6.164 -8.146 560 HG1 THR 64 1HG THR 64 -18.514 6.025 -6.785 561 HG21 THR 64 3HG2 THR 64 -18.488 8.174 -7.808 562 HG22 THR 64 1HG2 THR 64 -18.523 8.035 -9.565 563 HG23 THR 64 2HG2 THR 64 -16.997 8.337 -8.734 564 H LYS 65 HN LYS 65 -15.320 5.444 -9.383 565 HA LYS 65 HA LYS 65 -14.602 3.043 -10.539 566 HB2 LYS 65 1HB LYS 65 -13.543 4.606 -8.219 567 HB3 LYS 65 2HB LYS 65 -12.886 3.007 -8.542 568 HG2 LYS 65 1HG LYS 65 -12.399 3.770 -10.873 569 HG3 LYS 65 2HG LYS 65 -12.866 5.396 -10.369 570 HD2 LYS 65 1HD LYS 65 -10.682 3.753 -9.089 571 HD3 LYS 65 2HD LYS 65 -10.419 5.016 -10.293 572 HE2 LYS 65 1HE LYS 65 -11.786 6.488 -8.629 573 HE3 LYS 65 2HE LYS 65 -11.331 5.253 -7.456 574 HZ1 LYS 65 3HZ LYS 65 -9.236 6.407 -9.150 575 HZ2 LYS 65 1HZ LYS 65 -9.141 5.823 -7.565 576 HZ3 LYS 65 2HZ LYS 65 -9.831 7.337 -7.868 577 H GLU 66 HN GLU 66 -16.158 3.632 -7.448 578 HA GLU 66 HA GLU 66 -15.836 1.077 -6.327 579 HB2 GLU 66 1HB GLU 66 -17.784 3.314 -5.913 580 HB3 GLU 66 2HB GLU 66 -18.069 1.763 -5.135 581 HG2 GLU 66 1HG GLU 66 -16.742 3.683 -3.933 582 HG3 GLU 66 2HG GLU 66 -16.309 1.988 -3.716 583 H ALA 67 HN ALA 67 -18.445 2.432 -8.318 584 HA ALA 67 HA ALA 67 -20.089 0.147 -8.306 585 HB1 ALA 67 1HB ALA 67 -21.360 1.204 -9.957 586 HB2 ALA 67 2HB ALA 67 -20.662 2.533 -9.031 587 HB3 ALA 67 3HB ALA 67 -19.971 2.086 -10.591 588 H VAL 68 HN VAL 68 -17.729 1.288 -10.718 589 HA VAL 68 HA VAL 68 -17.994 -0.785 -12.550 590 HB VAL 68 HB VAL 68 -15.417 0.643 -11.883 591 HG11 VAL 68 1HG1 VAL 68 -14.676 0.066 -14.034 592 HG12 VAL 68 2HG1 VAL 68 -15.401 -1.411 -13.396 593 HG13 VAL 68 3HG1 VAL 68 -16.289 -0.420 -14.554 594 HG21 VAL 68 3HG2 VAL 68 -16.958 2.371 -12.259 595 HG22 VAL 68 1HG2 VAL 68 -16.168 2.136 -13.818 596 HG23 VAL 68 2HG2 VAL 68 -17.781 1.479 -13.538 597 H ALA 69 HN ALA 69 -15.798 -0.531 -9.767 598 HA ALA 69 HA ALA 69 -14.587 -3.069 -10.170 599 HB1 ALA 69 1HB ALA 69 -14.723 -1.712 -7.503 600 HB2 ALA 69 2HB ALA 69 -13.422 -2.683 -8.195 601 HB3 ALA 69 3HB ALA 69 -13.730 -1.058 -8.806 602 H LYS 70 HN LYS 70 -17.467 -1.994 -8.540 603 HA LYS 70 HA LYS 70 -17.887 -4.198 -6.847 604 HB2 LYS 70 1HB LYS 70 -19.161 -2.182 -6.533 605 HB3 LYS 70 2HB LYS 70 -19.834 -2.294 -8.154 606 HG2 LYS 70 1HG LYS 70 -21.511 -3.553 -7.442 607 HG3 LYS 70 2HG LYS 70 -20.404 -4.684 -6.660 608 HD2 LYS 70 1HD LYS 70 -21.037 -2.047 -5.388 609 HD3 LYS 70 2HD LYS 70 -22.142 -3.413 -5.217 610 HE2 LYS 70 1HE LYS 70 -19.210 -3.505 -4.525 611 HE3 LYS 70 2HE LYS 70 -20.491 -3.178 -3.359 612 HZ1 LYS 70 3HZ LYS 70 -21.022 -5.529 -4.880 613 HZ2 LYS 70 1HZ LYS 70 -20.949 -5.330 -3.202 614 HZ3 LYS 70 2HZ LYS 70 -19.537 -5.640 -4.078 615 H ILE 71 HN ILE 71 -19.094 -3.543 -10.130 616 HA ILE 71 HA ILE 71 -20.398 -6.068 -10.375 617 HB ILE 71 HB ILE 71 -19.526 -4.367 -12.697 618 HG12 ILE 71 1HG1 ILE 71 -20.553 -2.839 -11.121 619 HG13 ILE 71 2HG1 ILE 71 -21.679 -3.146 -12.438 620 HG21 ILE 71 1HG2 ILE 71 -21.868 -6.205 -12.223 621 HG22 ILE 71 2HG2 ILE 71 -21.639 -5.220 -13.667 622 HG23 ILE 71 3HG2 ILE 71 -20.486 -6.497 -13.280 623 HD11 ILE 71 3HD1 ILE 71 -22.882 -4.737 -11.024 624 HD12 ILE 71 1HD1 ILE 71 -21.765 -4.396 -9.703 625 HD13 ILE 71 2HD1 ILE 71 -22.826 -3.125 -10.311 626 H VAL 72 HN VAL 72 -17.227 -4.826 -11.222 627 HA VAL 72 HA VAL 72 -16.368 -6.868 -12.927 628 HB VAL 72 HB VAL 72 -14.879 -5.026 -11.077 629 HG11 VAL 72 1HG1 VAL 72 -12.931 -6.008 -12.693 630 HG12 VAL 72 2HG1 VAL 72 -13.227 -6.550 -11.040 631 HG13 VAL 72 3HG1 VAL 72 -13.894 -7.455 -12.399 632 HG21 VAL 72 3HG2 VAL 72 -14.922 -3.656 -12.825 633 HG22 VAL 72 1HG2 VAL 72 -14.150 -4.879 -13.834 634 HG23 VAL 72 2HG2 VAL 72 -15.908 -4.829 -13.697 635 H ASP 73 HN ASP 73 -16.078 -6.572 -9.398 636 HA ASP 73 HA ASP 73 -14.790 -9.107 -9.094 637 HB2 ASP 73 1HB ASP 73 -14.980 -6.927 -7.508 638 HB3 ASP 73 2HB ASP 73 -16.220 -7.942 -6.777 639 H ASP 74 HN ASP 74 -18.099 -7.927 -8.777 640 HA ASP 74 HA ASP 74 -19.227 -10.257 -7.680 641 HB2 ASP 74 1HB ASP 74 -20.247 -7.834 -9.053 642 HB3 ASP 74 2HB ASP 74 -21.312 -9.237 -9.047 643 H THR 75 HN THR 75 -19.079 -9.147 -11.060 644 HA THR 75 HA THR 75 -20.274 -11.469 -12.149 645 HB THR 75 HB THR 75 -18.345 -9.761 -13.695 646 HG1 THR 75 1HG THR 75 -20.909 -9.070 -12.708 647 HG21 THR 75 3HG2 THR 75 -19.449 -11.746 -14.737 648 HG22 THR 75 1HG2 THR 75 -19.817 -10.219 -15.536 649 HG23 THR 75 2HG2 THR 75 -21.004 -10.962 -14.465 650 H TYR 76 HN TYR 76 -16.924 -10.540 -11.550 651 HA TYR 76 HA TYR 76 -15.729 -12.706 -12.922 652 HB2 TYR 76 1HB TYR 76 -14.539 -10.617 -12.270 653 HB3 TYR 76 2HB TYR 76 -14.607 -11.139 -10.591 654 HD1 TYR 76 2HD TYR 76 -13.956 -13.326 -13.506 655 HD2 TYR 76 1HD TYR 76 -12.291 -11.324 -10.141 656 HE1 TYR 76 2HE TYR 76 -11.857 -14.570 -13.812 657 HE2 TYR 76 1HE TYR 76 -10.187 -12.562 -10.438 658 HH TYR 76 HH TYR 76 -8.989 -13.817 -11.967 659 H ARG 77 HN ARG 77 -16.313 -12.177 -9.445 660 HA ARG 77 HA ARG 77 -15.407 -14.672 -8.568 661 HB2 ARG 77 1HB ARG 77 -16.418 -14.173 -6.494 662 HB3 ARG 77 2HB ARG 77 -15.960 -12.616 -7.171 663 HG2 ARG 77 1HG ARG 77 -18.245 -12.218 -7.874 664 HG3 ARG 77 2HG ARG 77 -18.722 -13.809 -7.279 665 HD2 ARG 77 1HD ARG 77 -19.353 -12.218 -5.627 666 HD3 ARG 77 2HD ARG 77 -17.952 -13.089 -5.007 667 HE ARG 77 HE ARG 77 -17.175 -10.711 -6.354 668 HH11 ARG 77 1HH1 ARG 77 -18.529 -11.895 -3.374 669 HH12 ARG 77 2HH1 ARG 77 -17.952 -10.562 -2.430 670 HH21 ARG 77 1HH2 ARG 77 -16.411 -8.950 -5.123 671 HH22 ARG 77 2HH2 ARG 77 -16.748 -8.887 -3.426 672 H LYS 78 HN LYS 78 -18.515 -13.658 -9.837 673 HA LYS 78 HA LYS 78 -19.812 -16.154 -9.196 674 HB2 LYS 78 1HB LYS 78 -20.965 -13.897 -9.337 675 HB3 LYS 78 2HB LYS 78 -20.800 -14.017 -11.084 676 HG2 LYS 78 1HG LYS 78 -21.958 -16.423 -10.023 677 HG3 LYS 78 2HG LYS 78 -22.870 -15.007 -9.495 678 HD2 LYS 78 1HD LYS 78 -22.071 -15.453 -12.362 679 HD3 LYS 78 2HD LYS 78 -23.586 -16.058 -11.690 680 HE2 LYS 78 1HE LYS 78 -23.392 -13.361 -10.918 681 HE3 LYS 78 2HE LYS 78 -22.933 -13.424 -12.619 682 HZ1 LYS 78 3HZ LYS 78 -25.496 -13.545 -11.526 683 HZ2 LYS 78 1HZ LYS 78 -25.184 -15.051 -12.231 684 HZ3 LYS 78 2HZ LYS 78 -25.054 -13.641 -13.156 685 H MET 79 HN MET 79 -17.997 -14.838 -11.822 686 HA MET 79 HA MET 79 -18.967 -16.484 -13.904 687 HB2 MET 79 1HB MET 79 -16.857 -14.554 -13.529 688 HB3 MET 79 2HB MET 79 -16.257 -15.941 -14.428 689 HG2 MET 79 1HG MET 79 -18.840 -15.082 -15.396 690 HG3 MET 79 2HG MET 79 -17.657 -13.777 -15.436 691 HE1 MET 79 3HE MET 79 -15.670 -13.751 -17.605 692 HE2 MET 79 1HE MET 79 -15.215 -14.356 -16.012 693 HE3 MET 79 2HE MET 79 -14.769 -15.260 -17.459 694 H GLN 80 HN GLN 80 -15.987 -16.760 -11.959 695 HA GLN 80 HA GLN 80 -16.225 -19.660 -12.044 696 HB2 GLN 80 1HB GLN 80 -14.797 -18.726 -14.016 697 HB3 GLN 80 2HB GLN 80 -13.576 -18.460 -12.779 698 HG2 GLN 80 1HG GLN 80 -12.997 -20.531 -13.570 699 HG3 GLN 80 2HG GLN 80 -14.006 -20.948 -12.186 700 HE21 GLN 80 1HE2 GLN 80 -14.606 -20.030 -15.564 701 HE22 GLN 80 2HE2 GLN 80 -15.652 -21.359 -15.917 702 H ILE 81 HN ILE 81 -16.077 -17.171 -10.174 703 HA ILE 81 HA ILE 81 -15.140 -16.590 -8.161 704 HB ILE 81 HB ILE 81 -14.795 -19.323 -7.222 705 HG12 ILE 81 1HG1 ILE 81 -17.404 -18.552 -8.543 706 HG13 ILE 81 2HG1 ILE 81 -16.355 -19.895 -8.981 707 HG21 ILE 81 1HG2 ILE 81 -16.201 -18.597 -5.463 708 HG22 ILE 81 2HG2 ILE 81 -15.194 -17.215 -5.892 709 HG23 ILE 81 3HG2 ILE 81 -16.869 -17.290 -6.440 710 HD11 ILE 81 3HD1 ILE 81 -17.767 -21.102 -7.746 711 HD12 ILE 81 1HD1 ILE 81 -16.868 -20.449 -6.377 712 HD13 ILE 81 2HD1 ILE 81 -18.378 -19.690 -6.883 713 H GLN 82 HN GLN 82 -13.115 -15.814 -8.815 714 HA GLN 82 HA GLN 82 -10.864 -17.425 -9.319 715 HB2 GLN 82 1HB GLN 82 -11.029 -15.056 -9.987 716 HB3 GLN 82 2HB GLN 82 -10.955 -14.582 -8.295 717 HG2 GLN 82 1HG GLN 82 -8.726 -16.189 -8.653 718 HG3 GLN 82 2HG GLN 82 -8.822 -15.231 -10.129 719 HE21 GLN 82 1HE2 GLN 82 -9.271 -14.756 -6.637 720 HE22 GLN 82 2HE2 GLN 82 -8.374 -13.282 -6.550 721 H CYS 83 HN CYS 83 -11.086 -15.232 -6.536 722 HA CYS 83 HA CYS 83 -10.911 -17.099 -4.494 723 HB2 CYS 83 1HB CYS 83 -8.539 -17.080 -5.962 724 HB3 CYS 83 2HB CYS 83 -8.180 -16.107 -4.541 725 HG CYS 83 HG CYS 83 -9.633 -19.160 -4.168 726 H ALA 84 HN ALA 84 -11.985 -14.495 -5.110 727 HA ALA 84 HA ALA 84 -12.326 -12.439 -4.183 728 HB1 ALA 84 1HB ALA 84 -11.347 -13.943 -1.762 729 HB2 ALA 84 2HB ALA 84 -12.108 -12.352 -1.709 730 HB3 ALA 84 3HB ALA 84 -13.017 -13.745 -2.294 731 HA PRO 85 HA PRO 85 -7.858 -11.263 -4.610 732 HB2 PRO 85 1HB PRO 85 -8.289 -9.432 -6.568 733 HB3 PRO 85 2HB PRO 85 -8.039 -11.151 -6.897 734 HG2 PRO 85 1HG PRO 85 -10.598 -9.603 -6.750 735 HG3 PRO 85 2HG PRO 85 -10.103 -10.837 -7.923 736 HD2 PRO 85 1HD PRO 85 -11.762 -11.377 -5.852 737 HD3 PRO 85 2HD PRO 85 -10.625 -12.576 -6.503 738 H ASP 86 HN ASP 86 -10.748 -9.829 -3.647 739 HA ASP 86 HA ASP 86 -11.233 -8.045 -2.320 740 HB2 ASP 86 1HB ASP 86 -9.088 -8.858 -1.176 741 HB3 ASP 86 2HB ASP 86 -8.275 -7.549 -2.029 742 H LEU 87 HN LEU 87 -12.027 -7.063 -4.300 743 HA LEU 87 HA LEU 87 -10.536 -5.412 -5.980 744 HB2 LEU 87 1HB LEU 87 -12.555 -4.640 -6.827 745 HB3 LEU 87 2HB LEU 87 -12.941 -6.250 -6.221 746 HG LEU 87 HG LEU 87 -13.592 -4.749 -4.070 747 HD11 LEU 87 1HD1 LEU 87 -13.868 -2.601 -4.532 748 HD12 LEU 87 2HD1 LEU 87 -14.992 -3.011 -5.828 749 HD13 LEU 87 3HD1 LEU 87 -13.267 -2.875 -6.168 750 HD21 LEU 87 3HD2 LEU 87 -15.439 -5.224 -6.402 751 HD22 LEU 87 1HD2 LEU 87 -15.871 -5.100 -4.697 752 HD23 LEU 87 2HD2 LEU 87 -14.933 -6.479 -5.271 753 H ALA 88 HN ALA 88 -11.521 -4.935 -2.740 754 HA ALA 88 HA ALA 88 -11.139 -3.250 -1.255 755 HB1 ALA 88 1HB ALA 88 -8.950 -3.176 -2.624 756 HB2 ALA 88 2HB ALA 88 -9.634 -1.716 -3.340 757 HB3 ALA 88 3HB ALA 88 -9.360 -1.800 -1.599 758 H THR 89 HN THR 89 -13.513 -2.976 -1.714 759 HA THR 89 HA THR 89 -14.643 -1.144 -3.416 760 HB THR 89 HB THR 89 -15.471 -1.691 -0.559 761 HG1 THR 89 1HG THR 89 -15.485 -3.572 -1.810 762 HG21 THR 89 3HG2 THR 89 -16.543 0.323 -1.336 763 HG22 THR 89 1HG2 THR 89 -17.723 -0.988 -1.355 764 HG23 THR 89 2HG2 THR 89 -16.978 -0.449 -2.861 765 H ARG 90 HN ARG 90 -14.052 -0.378 0.016 766 HA ARG 90 HA ARG 90 -12.773 2.113 -0.631 767 HB2 ARG 90 1HB ARG 90 -15.639 2.012 0.176 768 HB3 ARG 90 2HB ARG 90 -14.640 3.287 0.860 769 HG2 ARG 90 1HG ARG 90 -14.069 3.266 -1.879 770 HG3 ARG 90 2HG ARG 90 -15.821 3.095 -1.745 771 HD2 ARG 90 1HD ARG 90 -16.067 5.125 -0.663 772 HD3 ARG 90 2HD ARG 90 -14.395 5.143 -0.104 773 HE ARG 90 HE ARG 90 -14.688 5.316 -2.964 774 HH11 ARG 90 1HH1 ARG 90 -14.527 7.087 0.028 775 HH12 ARG 90 2HH1 ARG 90 -14.013 8.562 -0.721 776 HH21 ARG 90 1HH2 ARG 90 -14.012 7.252 -3.963 777 HH22 ARG 90 2HH2 ARG 90 -13.721 8.655 -2.992 778 H SER 91 HN SER 91 -12.418 -0.373 0.984 779 HA SER 91 HA SER 91 -12.203 0.784 3.676 780 HB2 SER 91 1HB SER 91 -13.331 -1.539 3.082 781 HB3 SER 91 2HB SER 91 -11.662 -2.107 3.144 782 HG SER 91 HG SER 91 -11.556 -1.625 5.251 783 H HIS 92 HN HIS 92 -10.364 1.946 2.310 784 HA HIS 92 HA HIS 92 -7.882 0.534 2.998 785 HB2 HIS 92 1HB HIS 92 -6.819 1.128 0.959 786 HB3 HIS 92 2HB HIS 92 -8.380 0.448 0.509 787 HD1 HIS 92 1HD HIS 92 -10.283 2.661 0.509 788 HD2 HIS 92 2HD HIS 92 -6.330 3.243 -0.631 789 HE1 HIS 92 1HE HIS 92 -10.289 4.743 -0.901 790 H SER 93 HN SER 93 -9.507 2.688 4.255 791 HA SER 93 HA SER 93 -7.309 4.493 4.789 792 HB2 SER 93 1HB SER 93 -8.367 6.512 4.163 793 HB3 SER 93 2HB SER 93 -8.636 5.429 2.798 794 HG SER 93 HG SER 93 -10.589 6.333 3.246 795 H GLY 94 HN GLY 94 -8.609 6.435 6.216 796 HA2 GLY 94 2HA GLY 94 -9.537 4.885 8.514 797 HA3 GLY 94 3HA GLY 94 -9.024 6.566 8.533 798 H SER 95 HN SER 95 -10.588 7.991 8.846 799 HA SER 95 HA SER 95 -13.006 8.080 7.447 800 HB2 SER 95 1HB SER 95 -14.492 7.595 9.530 801 HB3 SER 95 2HB SER 95 -13.891 6.237 8.579 802 HG SER 95 HG SER 95 -13.207 5.598 10.475 803 H ASP 96 HN ASP 96 -10.825 9.728 8.516 804 HA ASP 96 HA ASP 96 -12.472 11.736 9.904 805 HB2 ASP 96 1HB ASP 96 -9.698 10.790 10.531 806 HB3 ASP 96 2HB ASP 96 -10.154 12.452 10.896 807 H PHE 97 HN PHE 97 -10.806 10.978 7.166 808 HA PHE 97 HA PHE 97 -9.962 13.740 6.642 809 HB2 PHE 97 1HB PHE 97 -8.840 11.205 5.991 810 HB3 PHE 97 2HB PHE 97 -9.295 11.994 4.484 811 HD1 PHE 97 1HD PHE 97 -7.169 12.191 7.460 812 HD2 PHE 97 2HD PHE 97 -8.181 13.983 3.734 813 HE1 PHE 97 1HE PHE 97 -5.131 13.565 7.571 814 HE2 PHE 97 2HE PHE 97 -6.144 15.358 3.838 815 HZ PHE 97 HZ PHE 97 -4.615 15.150 5.758 816 H SER 98 HN SER 98 -12.708 12.185 6.441 817 HA SER 98 HA SER 98 -13.839 13.832 4.465 818 HB2 SER 98 1HB SER 98 -12.695 12.423 2.856 819 HB3 SER 98 2HB SER 98 -13.339 10.969 3.617 820 HG SER 98 HG SER 98 -14.516 12.688 1.836 821 H PHE 99 HN PHE 99 -14.771 13.658 6.833 822 HA PHE 99 HA PHE 99 -16.612 11.503 7.279 823 HB2 PHE 99 1HB PHE 99 -15.412 13.019 9.025 824 HB3 PHE 99 2HB PHE 99 -16.740 14.134 8.719 825 HD1 PHE 99 1HD PHE 99 -16.188 10.525 9.487 826 HD2 PHE 99 2HD PHE 99 -18.589 13.991 10.067 827 HE1 PHE 99 1HE PHE 99 -17.590 9.282 11.082 828 HE2 PHE 99 2HE PHE 99 -19.994 12.755 11.664 829 HZ PHE 99 HZ PHE 99 -19.495 10.397 12.175 830 H ARG 100 HN ARG 100 -17.474 12.018 4.972 831 HA ARG 100 HA ARG 100 -19.063 14.165 4.343 832 HB2 ARG 100 1HB ARG 100 -18.960 11.331 3.526 833 HB3 ARG 100 2HB ARG 100 -20.486 12.146 3.212 834 HG2 ARG 100 1HG ARG 100 -18.280 13.800 2.401 835 HG3 ARG 100 2HG ARG 100 -18.174 12.205 1.654 836 HD2 ARG 100 1HD ARG 100 -19.460 13.835 0.305 837 HD3 ARG 100 2HD ARG 100 -20.400 12.416 0.767 838 HE ARG 100 HE ARG 100 -20.920 14.269 2.713 839 HH11 ARG 100 1HH1 ARG 100 -21.213 14.160 -0.755 840 HH12 ARG 100 2HH1 ARG 100 -22.568 15.238 -0.805 841 HH21 ARG 100 1HH2 ARG 100 -22.704 15.690 2.660 842 HH22 ARG 100 2HH2 ARG 100 -23.414 16.109 1.138 843 HA PRO 101 HA PRO 101 -22.106 13.761 7.633 844 HB2 PRO 101 1HB PRO 101 -23.248 16.181 7.179 845 HB3 PRO 101 2HB PRO 101 -21.739 15.985 8.078 846 HG2 PRO 101 1HG PRO 101 -22.152 16.761 5.217 847 HG3 PRO 101 2HG PRO 101 -21.030 17.442 6.410 848 HD2 PRO 101 1HD PRO 101 -20.246 15.670 4.519 849 HD3 PRO 101 2HD PRO 101 -19.500 15.741 6.128 850 H ILE 102 HN ILE 102 -23.345 12.111 6.687 851 HA ILE 102 HA ILE 102 -25.691 13.079 5.233 852 HB ILE 102 HB ILE 102 -24.424 10.509 4.353 853 HG12 ILE 102 1HG1 ILE 102 -23.647 13.300 3.592 854 HG13 ILE 102 2HG1 ILE 102 -22.625 11.891 3.855 855 HG21 ILE 102 1HG2 ILE 102 -26.824 11.325 3.820 856 HG22 ILE 102 2HG2 ILE 102 -26.021 12.405 2.682 857 HG23 ILE 102 3HG2 ILE 102 -25.834 10.659 2.522 858 HD11 ILE 102 3HD1 ILE 102 -22.513 12.202 1.573 859 HD12 ILE 102 1HD1 ILE 102 -23.760 10.966 1.732 860 HD13 ILE 102 2HD1 ILE 102 -24.214 12.646 1.446 861 H GLU 103 HN GLU 103 -25.305 12.300 7.974 862 HA GLU 103 HA GLU 103 -26.001 9.718 8.633 863 HB2 GLU 103 1HB GLU 103 -26.252 12.354 9.910 864 HB3 GLU 103 2HB GLU 103 -27.404 11.158 10.488 865 HG2 GLU 103 1HG GLU 103 -25.161 9.692 10.559 866 HG3 GLU 103 2HG GLU 103 -24.481 11.296 10.826 867 H GLU 104 HN GLU 104 -28.005 12.267 7.338 868 HA GLU 104 HA GLU 104 -30.516 11.073 7.914 869 HB2 GLU 104 1HB GLU 104 -30.351 13.444 7.417 870 HB3 GLU 104 2HB GLU 104 -29.725 13.095 5.812 871 HG2 GLU 104 1HG GLU 104 -31.781 12.363 5.028 872 HG3 GLU 104 2HG GLU 104 -32.410 12.086 6.651 873 H ALA 105 HN ALA 105 -30.244 8.880 7.297 874 HA ALA 105 HA ALA 105 -31.100 8.331 4.631 875 HB1 ALA 105 1HB ALA 105 -28.887 6.680 4.616 876 HB2 ALA 105 2HB ALA 105 -29.102 8.147 3.661 877 HB3 ALA 105 3HB ALA 105 -28.257 8.218 5.208 Start of MODEL 10 1 H1 GLY -5 HN GLY -5 0.412 0.737 -4.950 2 HA2 GLY -5 2HA GLY -5 1.135 -1.531 -3.266 3 HA3 GLY -5 3HA GLY -5 2.444 -0.791 -4.176 4 H SER -4 HN SER -4 2.579 1.658 -3.913 5 HA SER -4 HA SER -4 2.353 2.243 -1.047 6 HB2 SER -4 1HB SER -4 3.858 4.183 -2.612 7 HB3 SER -4 2HB SER -4 4.361 3.243 -1.207 8 HG SER -4 HG SER -4 5.588 2.694 -3.041 9 H HIS -3 HN HIS -3 2.247 4.173 -4.046 10 HA HIS -3 HA HIS -3 -0.294 5.330 -3.224 11 HB2 HIS -3 1HB HIS -3 2.194 6.993 -3.663 12 HB3 HIS -3 2HB HIS -3 0.564 7.651 -3.553 13 HD1 HIS -3 1HD HIS -3 3.262 6.094 -1.471 14 HD2 HIS -3 2HD HIS -3 -0.483 7.823 -0.977 15 HE1 HIS -3 1HE HIS -3 3.004 6.443 1.006 16 H MET -2 HN MET -2 0.141 3.602 -5.307 17 HA MET -2 HA MET -2 -0.610 5.267 -7.562 18 HB2 MET -2 1HB MET -2 1.763 3.400 -7.653 19 HB3 MET -2 2HB MET -2 0.983 4.062 -9.083 20 HG2 MET -2 1HG MET -2 2.225 5.719 -6.901 21 HG3 MET -2 2HG MET -2 3.034 5.266 -8.399 22 HE1 MET -2 3HE MET -2 3.122 7.922 -7.544 23 HE2 MET -2 1HE MET -2 2.274 9.091 -8.557 24 HE3 MET -2 2HE MET -2 1.546 8.541 -7.048 25 H ALA -1 HN ALA -1 -2.644 4.290 -7.297 26 HA ALA -1 HA ALA -1 -2.750 1.430 -8.006 27 HB1 ALA -1 1HB ALA -1 -3.676 1.663 -5.848 28 HB2 ALA -1 2HB ALA -1 -4.596 3.095 -6.314 29 HB3 ALA -1 3HB ALA -1 -5.048 1.512 -6.947 30 H SER 1 HN SER 1 -3.268 4.501 -9.174 31 HA SER 1 HA SER 1 -5.661 4.430 -10.545 32 HB2 SER 1 1HB SER 1 -4.148 5.762 -12.331 33 HB3 SER 1 2HB SER 1 -4.694 6.480 -10.815 34 HG SER 1 HG SER 1 -2.169 5.350 -11.413 35 H ALA 2 HN ALA 2 -2.481 3.387 -11.773 36 HA ALA 2 HA ALA 2 -3.469 2.348 -14.207 37 HB1 ALA 2 1HB ALA 2 -0.911 1.948 -12.690 38 HB2 ALA 2 2HB ALA 2 -1.240 1.096 -14.200 39 HB3 ALA 2 3HB ALA 2 -1.186 2.858 -14.176 40 H ASP 3 HN ASP 3 -3.452 1.118 -11.002 41 HA ASP 3 HA ASP 3 -3.619 -1.660 -11.710 42 HB2 ASP 3 1HB ASP 3 -2.857 -0.543 -9.459 43 HB3 ASP 3 2HB ASP 3 -4.577 -0.593 -9.081 44 H LEU 4 HN LEU 4 -5.925 0.833 -10.690 45 HA LEU 4 HA LEU 4 -8.195 -0.876 -10.752 46 HB2 LEU 4 1HB LEU 4 -8.063 1.240 -9.473 47 HB3 LEU 4 2HB LEU 4 -8.087 2.127 -10.996 48 HG LEU 4 HG LEU 4 -10.351 0.374 -10.877 49 HD11 LEU 4 1HD1 LEU 4 -9.900 0.632 -8.400 50 HD12 LEU 4 2HD1 LEU 4 -11.496 1.130 -8.961 51 HD13 LEU 4 3HD1 LEU 4 -10.266 2.345 -8.609 52 HD21 LEU 4 3HD2 LEU 4 -11.554 2.525 -11.124 53 HD22 LEU 4 1HD2 LEU 4 -10.238 2.326 -12.282 54 HD23 LEU 4 2HD2 LEU 4 -10.026 3.373 -10.878 55 H VAL 5 HN VAL 5 -6.763 1.375 -13.072 56 HA VAL 5 HA VAL 5 -8.807 1.152 -15.022 57 HB VAL 5 HB VAL 5 -5.905 1.931 -15.342 58 HG11 VAL 5 1HG1 VAL 5 -6.983 3.129 -17.405 59 HG12 VAL 5 2HG1 VAL 5 -6.494 1.436 -17.511 60 HG13 VAL 5 3HG1 VAL 5 -8.190 1.852 -17.259 61 HG21 VAL 5 3HG2 VAL 5 -7.591 4.138 -15.677 62 HG22 VAL 5 1HG2 VAL 5 -8.201 3.286 -14.258 63 HG23 VAL 5 2HG2 VAL 5 -6.517 3.808 -14.317 64 H SER 6 HN SER 6 -5.592 -0.365 -14.781 65 HA SER 6 HA SER 6 -5.819 -1.954 -17.083 66 HB2 SER 6 1HB SER 6 -3.673 -1.528 -15.958 67 HB3 SER 6 2HB SER 6 -4.205 -2.484 -14.575 68 HG SER 6 HG SER 6 -4.100 -3.543 -17.195 69 H SER 7 HN SER 7 -6.752 -2.533 -13.735 70 HA SER 7 HA SER 7 -7.439 -5.274 -14.115 71 HB2 SER 7 1HB SER 7 -8.075 -3.271 -11.948 72 HB3 SER 7 2HB SER 7 -8.671 -4.930 -11.904 73 HG SER 7 HG SER 7 -5.946 -4.541 -12.359 74 H CYS 8 HN CYS 8 -9.397 -2.318 -13.765 75 HA CYS 8 HA CYS 8 -11.890 -3.519 -14.178 76 HB2 CYS 8 1HB CYS 8 -10.884 -0.709 -14.562 77 HB3 CYS 8 2HB CYS 8 -12.549 -1.142 -14.933 78 HG CYS 8 HG CYS 8 -12.983 -2.116 -12.261 79 H LYS 9 HN LYS 9 -9.573 -2.141 -16.459 80 HA LYS 9 HA LYS 9 -11.212 -2.348 -18.754 81 HB2 LYS 9 1HB LYS 9 -9.343 -0.897 -18.888 82 HB3 LYS 9 2HB LYS 9 -8.231 -2.156 -18.366 83 HG2 LYS 9 1HG LYS 9 -9.618 -2.918 -20.781 84 HG3 LYS 9 2HG LYS 9 -8.775 -1.379 -20.973 85 HD2 LYS 9 1HD LYS 9 -6.786 -2.388 -21.021 86 HD3 LYS 9 2HD LYS 9 -7.147 -3.307 -19.558 87 HE2 LYS 9 1HE LYS 9 -8.389 -4.939 -20.901 88 HE3 LYS 9 2HE LYS 9 -8.012 -4.022 -22.359 89 HZ1 LYS 9 3HZ LYS 9 -6.509 -6.034 -21.242 90 HZ2 LYS 9 1HZ LYS 9 -5.656 -4.617 -20.888 91 HZ3 LYS 9 2HZ LYS 9 -6.039 -4.995 -22.491 92 H ASP 10 HN ASP 10 -8.545 -4.418 -17.606 93 HA ASP 10 HA ASP 10 -8.649 -6.379 -19.540 94 HB2 ASP 10 1HB ASP 10 -6.868 -6.457 -17.976 95 HB3 ASP 10 2HB ASP 10 -7.973 -6.533 -16.606 96 H LYS 11 HN LYS 11 -10.530 -6.179 -16.537 97 HA LYS 11 HA LYS 11 -11.937 -8.611 -16.951 98 HB2 LYS 11 1HB LYS 11 -12.756 -6.234 -15.273 99 HB3 LYS 11 2HB LYS 11 -13.375 -7.874 -15.131 100 HG2 LYS 11 1HG LYS 11 -10.473 -7.707 -14.904 101 HG3 LYS 11 2HG LYS 11 -11.337 -6.802 -13.658 102 HD2 LYS 11 1HD LYS 11 -12.698 -8.862 -13.232 103 HD3 LYS 11 2HD LYS 11 -11.622 -9.728 -14.332 104 HE2 LYS 11 1HE LYS 11 -10.348 -10.138 -12.548 105 HE3 LYS 11 2HE LYS 11 -9.891 -8.436 -12.611 106 HZ1 LYS 11 3HZ LYS 11 -12.385 -8.917 -11.260 107 HZ2 LYS 11 1HZ LYS 11 -11.056 -7.986 -10.780 108 HZ3 LYS 11 2HZ LYS 11 -11.063 -9.655 -10.507 109 H LEU 12 HN LEU 12 -12.894 -5.204 -17.366 110 HA LEU 12 HA LEU 12 -15.458 -5.595 -18.321 111 HB2 LEU 12 1HB LEU 12 -14.438 -3.413 -17.743 112 HB3 LEU 12 2HB LEU 12 -13.515 -3.483 -19.243 113 HG LEU 12 HG LEU 12 -16.195 -3.797 -19.993 114 HD11 LEU 12 1HD1 LEU 12 -15.847 -1.694 -17.870 115 HD12 LEU 12 2HD1 LEU 12 -17.020 -3.010 -17.913 116 HD13 LEU 12 3HD1 LEU 12 -17.152 -1.673 -19.056 117 HD21 LEU 12 3HD2 LEU 12 -14.244 -2.606 -21.103 118 HD22 LEU 12 1HD2 LEU 12 -14.639 -1.227 -20.077 119 HD23 LEU 12 2HD2 LEU 12 -15.824 -1.833 -21.234 120 H ALA 13 HN ALA 13 -12.399 -5.626 -20.096 121 HA ALA 13 HA ALA 13 -13.559 -5.922 -22.670 122 HB1 ALA 13 1HB ALA 13 -10.790 -6.566 -21.668 123 HB2 ALA 13 2HB ALA 13 -11.274 -6.592 -23.364 124 HB3 ALA 13 3HB ALA 13 -11.318 -5.080 -22.458 125 H TYR 14 HN TYR 14 -12.264 -8.227 -20.310 126 HA TYR 14 HA TYR 14 -12.683 -10.513 -21.966 127 HB2 TYR 14 1HB TYR 14 -11.013 -10.461 -20.141 128 HB3 TYR 14 2HB TYR 14 -12.319 -10.367 -18.965 129 HD1 TYR 14 2HD TYR 14 -11.896 -12.488 -22.010 130 HD2 TYR 14 1HD TYR 14 -12.334 -12.357 -17.780 131 HE1 TYR 14 2HE TYR 14 -12.014 -14.944 -21.952 132 HE2 TYR 14 1HE TYR 14 -12.452 -14.812 -17.710 133 HH TYR 14 HH TYR 14 -11.494 -16.768 -20.151 134 H PHE 15 HN PHE 15 -14.743 -8.565 -20.115 135 HA PHE 15 HA PHE 15 -16.720 -10.689 -19.744 136 HB2 PHE 15 1HB PHE 15 -16.363 -7.939 -18.623 137 HB3 PHE 15 2HB PHE 15 -17.974 -8.647 -18.650 138 HD1 PHE 15 1HD PHE 15 -17.796 -11.310 -17.896 139 HD2 PHE 15 2HD PHE 15 -15.349 -8.084 -16.583 140 HE1 PHE 15 1HE PHE 15 -17.290 -12.541 -15.826 141 HE2 PHE 15 2HE PHE 15 -14.839 -9.310 -14.512 142 HZ PHE 15 HZ PHE 15 -15.808 -11.542 -14.132 143 H ARG 16 HN ARG 16 -18.505 -10.874 -20.959 144 HA ARG 16 HA ARG 16 -18.762 -9.712 -23.442 145 HB2 ARG 16 1HB ARG 16 -21.083 -10.655 -21.754 146 HB3 ARG 16 2HB ARG 16 -21.000 -10.597 -23.510 147 HG2 ARG 16 1HG ARG 16 -18.834 -12.169 -22.743 148 HG3 ARG 16 2HG ARG 16 -20.165 -12.672 -21.699 149 HD2 ARG 16 1HD ARG 16 -20.426 -14.037 -23.554 150 HD3 ARG 16 2HD ARG 16 -21.547 -12.716 -23.882 151 HE ARG 16 HE ARG 16 -18.951 -12.271 -25.003 152 HH11 ARG 16 1HH1 ARG 16 -22.010 -13.862 -25.487 153 HH12 ARG 16 2HH1 ARG 16 -21.864 -13.901 -27.213 154 HH21 ARG 16 1HH2 ARG 16 -18.748 -12.316 -27.274 155 HH22 ARG 16 2HH2 ARG 16 -20.008 -13.022 -28.229 156 H ILE 17 HN ILE 17 -20.718 -8.383 -24.173 157 HA ILE 17 HA ILE 17 -20.498 -5.785 -23.295 158 HB ILE 17 HB ILE 17 -23.040 -6.926 -24.447 159 HG12 ILE 17 1HG1 ILE 17 -20.374 -6.404 -25.696 160 HG13 ILE 17 2HG1 ILE 17 -21.512 -7.712 -25.997 161 HG21 ILE 17 1HG2 ILE 17 -23.010 -4.563 -23.599 162 HG22 ILE 17 2HG2 ILE 17 -21.807 -4.208 -24.838 163 HG23 ILE 17 3HG2 ILE 17 -23.422 -4.741 -25.305 164 HD11 ILE 17 3HD1 ILE 17 -21.705 -6.504 -27.923 165 HD12 ILE 17 1HD1 ILE 17 -22.997 -5.789 -26.959 166 HD13 ILE 17 2HD1 ILE 17 -21.448 -4.959 -27.112 167 H LYS 18 HN LYS 18 -22.346 -8.371 -21.927 168 HA LYS 18 HA LYS 18 -24.352 -7.121 -20.544 169 HB2 LYS 18 1HB LYS 18 -23.076 -9.625 -20.451 170 HB3 LYS 18 2HB LYS 18 -23.042 -9.014 -18.803 171 HG2 LYS 18 1HG LYS 18 -25.522 -9.201 -20.498 172 HG3 LYS 18 2HG LYS 18 -25.021 -10.407 -19.310 173 HD2 LYS 18 1HD LYS 18 -26.132 -9.236 -17.776 174 HD3 LYS 18 2HD LYS 18 -24.920 -7.966 -17.960 175 HE2 LYS 18 1HE LYS 18 -27.182 -7.082 -18.222 176 HE3 LYS 18 2HE LYS 18 -26.258 -6.931 -19.716 177 HZ1 LYS 18 3HZ LYS 18 -27.802 -9.367 -19.461 178 HZ2 LYS 18 1HZ LYS 18 -27.608 -8.341 -20.791 179 HZ3 LYS 18 2HZ LYS 18 -28.720 -7.951 -19.578 180 H GLU 19 HN GLU 19 -20.981 -7.514 -19.471 181 HA GLU 19 HA GLU 19 -21.223 -6.217 -17.012 182 HB2 GLU 19 1HB GLU 19 -19.253 -7.508 -17.541 183 HB3 GLU 19 2HB GLU 19 -18.856 -6.435 -18.875 184 HG2 GLU 19 1HG GLU 19 -17.429 -6.001 -16.972 185 HG3 GLU 19 2HG GLU 19 -18.464 -4.613 -17.302 186 H LEU 20 HN LEU 20 -20.147 -4.885 -20.137 187 HA LEU 20 HA LEU 20 -19.834 -2.239 -19.277 188 HB2 LEU 20 1HB LEU 20 -20.475 -3.381 -21.987 189 HB3 LEU 20 2HB LEU 20 -20.126 -1.675 -21.711 190 HG LEU 20 HG LEU 20 -17.894 -2.503 -20.734 191 HD11 LEU 20 1HD1 LEU 20 -19.061 -4.991 -21.794 192 HD12 LEU 20 2HD1 LEU 20 -17.872 -4.745 -20.516 193 HD13 LEU 20 3HD1 LEU 20 -17.372 -4.693 -22.206 194 HD21 LEU 20 3HD2 LEU 20 -17.147 -2.971 -23.253 195 HD22 LEU 20 1HD2 LEU 20 -17.560 -1.360 -22.664 196 HD23 LEU 20 2HD2 LEU 20 -18.751 -2.303 -23.561 197 H LYS 21 HN LYS 21 -22.658 -4.018 -20.329 198 HA LYS 21 HA LYS 21 -24.383 -1.822 -20.734 199 HB2 LYS 21 1HB LYS 21 -24.732 -4.249 -21.443 200 HB3 LYS 21 2HB LYS 21 -25.245 -4.552 -19.788 201 HG2 LYS 21 1HG LYS 21 -26.585 -2.276 -21.032 202 HG3 LYS 21 2HG LYS 21 -26.877 -3.814 -21.847 203 HD2 LYS 21 1HD LYS 21 -27.680 -4.807 -19.815 204 HD3 LYS 21 2HD LYS 21 -27.210 -3.385 -18.880 205 HE2 LYS 21 1HE LYS 21 -29.421 -2.919 -19.146 206 HE3 LYS 21 2HE LYS 21 -28.809 -2.185 -20.628 207 HZ1 LYS 21 3HZ LYS 21 -29.834 -3.702 -21.890 208 HZ2 LYS 21 1HZ LYS 21 -30.786 -4.000 -20.524 209 HZ3 LYS 21 2HZ LYS 21 -29.456 -4.989 -20.860 210 H ASP 22 HN ASP 22 -23.846 -3.910 -17.908 211 HA ASP 22 HA ASP 22 -25.725 -2.680 -16.221 212 HB2 ASP 22 1HB ASP 22 -23.244 -4.303 -15.701 213 HB3 ASP 22 2HB ASP 22 -24.194 -3.637 -14.376 214 H ILE 23 HN ILE 23 -22.302 -2.013 -16.796 215 HA ILE 23 HA ILE 23 -22.002 -0.058 -14.780 216 HB ILE 23 HB ILE 23 -20.469 -0.399 -17.359 217 HG12 ILE 23 1HG1 ILE 23 -19.811 -1.291 -14.543 218 HG13 ILE 23 2HG1 ILE 23 -20.405 -2.345 -15.821 219 HG21 ILE 23 1HG2 ILE 23 -18.694 0.885 -16.139 220 HG22 ILE 23 2HG2 ILE 23 -20.115 1.825 -16.591 221 HG23 ILE 23 3HG2 ILE 23 -19.910 1.283 -14.926 222 HD11 ILE 23 3HD1 ILE 23 -18.221 -1.131 -16.968 223 HD12 ILE 23 1HD1 ILE 23 -17.723 -1.385 -15.296 224 HD13 ILE 23 2HD1 ILE 23 -18.271 -2.749 -16.270 225 H LEU 24 HN LEU 24 -22.356 0.352 -18.309 226 HA LEU 24 HA LEU 24 -22.637 3.133 -18.272 227 HB2 LEU 24 1HB LEU 24 -22.540 2.775 -20.453 228 HB3 LEU 24 2HB LEU 24 -22.755 1.046 -20.183 229 HG LEU 24 HG LEU 24 -25.122 2.878 -20.340 230 HD11 LEU 24 1HD1 LEU 24 -25.248 2.670 -22.677 231 HD12 LEU 24 2HD1 LEU 24 -23.950 1.478 -22.725 232 HD13 LEU 24 3HD1 LEU 24 -23.588 3.161 -22.343 233 HD21 LEU 24 3HD2 LEU 24 -24.613 0.012 -20.206 234 HD22 LEU 24 1HD2 LEU 24 -25.706 0.465 -21.514 235 HD23 LEU 24 2HD2 LEU 24 -26.082 0.922 -19.853 236 H ASN 25 HN ASN 25 -24.900 0.603 -17.573 237 HA ASN 25 HA ASN 25 -27.268 2.164 -17.896 238 HB2 ASN 25 1HB ASN 25 -27.819 -0.057 -17.987 239 HB3 ASN 25 2HB ASN 25 -26.596 -0.519 -16.806 240 HD21 ASN 25 1HD2 ASN 25 -27.087 -0.490 -14.640 241 HD22 ASN 25 2HD2 ASN 25 -28.699 -0.304 -14.047 242 H GLN 26 HN GLN 26 -25.266 1.239 -15.120 243 HA GLN 26 HA GLN 26 -26.897 2.637 -13.227 244 HB2 GLN 26 1HB GLN 26 -24.199 1.321 -13.105 245 HB3 GLN 26 2HB GLN 26 -24.801 2.273 -11.755 246 HG2 GLN 26 1HG GLN 26 -26.494 0.782 -11.281 247 HG3 GLN 26 2HG GLN 26 -26.486 0.098 -12.905 248 HE21 GLN 26 1HE2 GLN 26 -23.945 -0.588 -13.332 249 HE22 GLN 26 2HE2 GLN 26 -23.412 -1.761 -12.181 250 H LEU 27 HN LEU 27 -24.323 3.492 -15.342 251 HA LEU 27 HA LEU 27 -23.298 5.722 -13.939 252 HB2 LEU 27 1HB LEU 27 -23.259 4.836 -16.794 253 HB3 LEU 27 2HB LEU 27 -22.660 6.435 -16.358 254 HG LEU 27 HG LEU 27 -21.600 3.888 -15.148 255 HD11 LEU 27 1HD1 LEU 27 -20.940 3.550 -17.311 256 HD12 LEU 27 2HD1 LEU 27 -19.617 4.563 -16.734 257 HD13 LEU 27 3HD1 LEU 27 -20.917 5.272 -17.692 258 HD21 LEU 27 3HD2 LEU 27 -21.342 6.449 -14.286 259 HD22 LEU 27 1HD2 LEU 27 -19.944 6.302 -15.351 260 HD23 LEU 27 2HD2 LEU 27 -20.153 5.175 -14.011 261 H GLY 28 HN GLY 28 -26.025 5.288 -16.099 262 HA2 GLY 28 2HA GLY 28 -27.939 6.711 -15.962 263 HA3 GLY 28 3HA GLY 28 -26.890 8.017 -15.433 264 H LEU 29 HN LEU 29 -25.832 6.088 -18.084 265 HA LEU 29 HA LEU 29 -26.870 8.000 -20.039 266 HB2 LEU 29 1HB LEU 29 -24.453 7.873 -21.045 267 HB3 LEU 29 2HB LEU 29 -24.864 9.056 -19.806 268 HG LEU 29 HG LEU 29 -23.809 7.663 -18.106 269 HD11 LEU 29 1HD1 LEU 29 -23.011 5.831 -20.361 270 HD12 LEU 29 2HD1 LEU 29 -24.293 5.489 -19.200 271 HD13 LEU 29 3HD1 LEU 29 -22.625 5.649 -18.649 272 HD21 LEU 29 3HD2 LEU 29 -22.114 8.241 -20.530 273 HD22 LEU 29 1HD2 LEU 29 -21.466 7.822 -18.944 274 HD23 LEU 29 2HD2 LEU 29 -22.409 9.298 -19.149 275 HA PRO 30 HA PRO 30 -26.754 3.462 -21.328 276 HB2 PRO 30 1HB PRO 30 -29.440 3.130 -21.539 277 HB3 PRO 30 2HB PRO 30 -28.550 2.832 -20.041 278 HG2 PRO 30 1HG PRO 30 -30.141 5.234 -20.852 279 HG3 PRO 30 2HG PRO 30 -30.095 4.398 -19.289 280 HD2 PRO 30 1HD PRO 30 -28.731 6.690 -19.756 281 HD3 PRO 30 2HD PRO 30 -28.137 5.434 -18.651 282 H LYS 31 HN LYS 31 -25.862 4.851 -23.150 283 HA LYS 31 HA LYS 31 -27.347 4.366 -25.501 284 HB2 LYS 31 1HB LYS 31 -27.517 6.818 -26.191 285 HB3 LYS 31 2HB LYS 31 -28.697 6.237 -25.024 286 HG2 LYS 31 1HG LYS 31 -27.757 7.422 -23.282 287 HG3 LYS 31 2HG LYS 31 -26.183 7.537 -24.073 288 HD2 LYS 31 1HD LYS 31 -28.624 8.890 -25.188 289 HD3 LYS 31 2HD LYS 31 -27.609 9.658 -23.965 290 HE2 LYS 31 1HE LYS 31 -26.048 8.551 -26.144 291 HE3 LYS 31 2HE LYS 31 -27.235 9.724 -26.712 292 HZ1 LYS 31 3HZ LYS 31 -26.366 11.301 -25.070 293 HZ2 LYS 31 1HZ LYS 31 -25.177 10.822 -26.175 294 HZ3 LYS 31 2HZ LYS 31 -25.187 10.179 -24.611 295 H GLN 32 HN GLN 32 -24.970 3.470 -25.122 296 HA GLN 32 HA GLN 32 -23.016 5.358 -26.220 297 HB2 GLN 32 1HB GLN 32 -22.877 3.028 -24.458 298 HB3 GLN 32 2HB GLN 32 -21.662 3.004 -25.729 299 HG2 GLN 32 1HG GLN 32 -20.553 4.114 -24.064 300 HG3 GLN 32 2HG GLN 32 -21.228 5.458 -24.983 301 HE21 GLN 32 1HE2 GLN 32 -23.552 6.009 -24.214 302 HE22 GLN 32 2HE2 GLN 32 -23.731 6.177 -22.504 303 H GLY 33 HN GLY 33 -21.280 3.940 -27.590 304 HA2 GLY 33 2HA GLY 33 -22.772 3.182 -29.956 305 HA3 GLY 33 3HA GLY 33 -21.028 3.356 -29.830 306 H LYS 34 HN LYS 34 -20.027 1.515 -30.252 307 HA LYS 34 HA LYS 34 -21.362 -1.018 -29.643 308 HB2 LYS 34 1HB LYS 34 -18.862 -0.503 -31.264 309 HB3 LYS 34 2HB LYS 34 -19.704 -2.040 -31.117 310 HG2 LYS 34 1HG LYS 34 -20.587 -1.379 -33.085 311 HG3 LYS 34 2HG LYS 34 -21.723 -0.549 -32.018 312 HD2 LYS 34 1HD LYS 34 -19.628 1.236 -32.248 313 HD3 LYS 34 2HD LYS 34 -19.759 0.543 -33.867 314 HE2 LYS 34 1HE LYS 34 -22.277 1.342 -32.524 315 HE3 LYS 34 2HE LYS 34 -21.210 2.637 -33.062 316 HZ1 LYS 34 3HZ LYS 34 -22.347 2.346 -34.970 317 HZ2 LYS 34 1HZ LYS 34 -22.765 0.743 -34.627 318 HZ3 LYS 34 2HZ LYS 34 -21.225 1.107 -35.225 319 H LYS 35 HN LYS 35 -19.377 -2.772 -29.313 320 HA LYS 35 HA LYS 35 -18.695 -2.658 -26.661 321 HB2 LYS 35 1HB LYS 35 -18.519 -4.683 -28.052 322 HB3 LYS 35 2HB LYS 35 -17.114 -4.002 -28.862 323 HG2 LYS 35 1HG LYS 35 -15.847 -4.981 -27.336 324 HG3 LYS 35 2HG LYS 35 -16.525 -3.878 -26.136 325 HD2 LYS 35 1HD LYS 35 -18.224 -6.183 -26.790 326 HD3 LYS 35 2HD LYS 35 -16.690 -6.592 -26.018 327 HE2 LYS 35 1HE LYS 35 -17.437 -4.560 -24.446 328 HE3 LYS 35 2HE LYS 35 -19.030 -5.120 -24.954 329 HZ1 LYS 35 3HZ LYS 35 -18.071 -7.426 -24.302 330 HZ2 LYS 35 1HZ LYS 35 -18.655 -6.389 -23.100 331 HZ3 LYS 35 2HZ LYS 35 -16.990 -6.520 -23.369 332 H GLN 36 HN GLN 36 -17.040 -1.213 -29.377 333 HA GLN 36 HA GLN 36 -14.623 -0.607 -27.999 334 HB2 GLN 36 1HB GLN 36 -15.616 -0.357 -30.638 335 HB3 GLN 36 2HB GLN 36 -15.123 1.251 -30.123 336 HG2 GLN 36 1HG GLN 36 -13.467 -1.229 -30.372 337 HG3 GLN 36 2HG GLN 36 -13.230 0.345 -31.130 338 HE21 GLN 36 1HE2 GLN 36 -13.635 1.926 -28.829 339 HE22 GLN 36 2HE2 GLN 36 -12.288 1.686 -27.774 340 H ASP 37 HN ASP 37 -17.436 1.376 -28.916 341 HA ASP 37 HA ASP 37 -16.606 3.754 -27.714 342 HB2 ASP 37 1HB ASP 37 -19.004 2.731 -28.924 343 HB3 ASP 37 2HB ASP 37 -19.418 3.625 -27.464 344 H LEU 38 HN LEU 38 -18.615 1.134 -26.400 345 HA LEU 38 HA LEU 38 -19.129 2.268 -23.901 346 HB2 LEU 38 1HB LEU 38 -18.795 -0.647 -24.596 347 HB3 LEU 38 2HB LEU 38 -19.568 -0.018 -23.142 348 HG LEU 38 HG LEU 38 -20.670 0.805 -25.779 349 HD11 LEU 38 1HD1 LEU 38 -20.183 -1.765 -25.652 350 HD12 LEU 38 2HD1 LEU 38 -21.731 -1.171 -26.251 351 HD13 LEU 38 3HD1 LEU 38 -21.596 -1.768 -24.597 352 HD21 LEU 38 3HD2 LEU 38 -22.143 -0.065 -23.318 353 HD22 LEU 38 1HD2 LEU 38 -22.662 1.034 -24.596 354 HD23 LEU 38 2HD2 LEU 38 -21.436 1.547 -23.437 355 H ILE 39 HN ILE 39 -16.597 -0.082 -24.788 356 HA ILE 39 HA ILE 39 -15.306 -0.267 -22.359 357 HB ILE 39 HB ILE 39 -14.493 -0.666 -25.170 358 HG12 ILE 39 1HG1 ILE 39 -13.564 -2.444 -23.005 359 HG13 ILE 39 2HG1 ILE 39 -15.311 -2.274 -23.132 360 HG21 ILE 39 1HG2 ILE 39 -12.596 0.601 -24.577 361 HG22 ILE 39 2HG2 ILE 39 -12.506 -0.137 -22.979 362 HG23 ILE 39 3HG2 ILE 39 -12.110 -1.086 -24.411 363 HD11 ILE 39 3HD1 ILE 39 -15.204 -3.885 -24.652 364 HD12 ILE 39 1HD1 ILE 39 -14.524 -2.672 -25.736 365 HD13 ILE 39 2HD1 ILE 39 -13.455 -3.728 -24.813 366 H ASP 40 HN ASP 40 -14.651 2.051 -24.980 367 HA ASP 40 HA ASP 40 -12.567 3.430 -23.724 368 HB2 ASP 40 1HB ASP 40 -13.825 3.594 -26.155 369 HB3 ASP 40 2HB ASP 40 -14.331 5.094 -25.382 370 H ARG 41 HN ARG 41 -16.042 3.710 -23.408 371 HA ARG 41 HA ARG 41 -16.078 6.192 -22.041 372 HB2 ARG 41 1HB ARG 41 -17.982 4.131 -22.780 373 HB3 ARG 41 2HB ARG 41 -18.301 4.750 -21.165 374 HG2 ARG 41 1HG ARG 41 -17.801 6.718 -23.327 375 HG3 ARG 41 2HG ARG 41 -19.341 5.857 -23.324 376 HD2 ARG 41 1HD ARG 41 -19.923 7.611 -22.001 377 HD3 ARG 41 2HD ARG 41 -19.274 6.541 -20.759 378 HE ARG 41 HE ARG 41 -17.567 8.025 -20.428 379 HH11 ARG 41 1HH1 ARG 41 -19.095 8.717 -23.479 380 HH12 ARG 41 2HH1 ARG 41 -18.203 10.179 -23.743 381 HH21 ARG 41 1HH2 ARG 41 -16.386 9.948 -20.765 382 HH22 ARG 41 2HH2 ARG 41 -16.662 10.877 -22.199 383 H VAL 42 HN VAL 42 -16.146 2.826 -20.904 384 HA VAL 42 HA VAL 42 -16.343 3.341 -18.168 385 HB VAL 42 HB VAL 42 -15.025 1.045 -19.617 386 HG11 VAL 42 1HG1 VAL 42 -15.736 0.146 -17.105 387 HG12 VAL 42 2HG1 VAL 42 -14.099 0.503 -17.661 388 HG13 VAL 42 3HG1 VAL 42 -15.025 1.729 -16.794 389 HG21 VAL 42 3HG2 VAL 42 -17.703 1.748 -19.305 390 HG22 VAL 42 1HG2 VAL 42 -17.068 0.187 -19.827 391 HG23 VAL 42 2HG2 VAL 42 -17.429 0.467 -18.124 392 H LEU 43 HN LEU 43 -13.395 2.613 -20.045 393 HA LEU 43 HA LEU 43 -11.562 3.049 -17.995 394 HB2 LEU 43 1HB LEU 43 -11.042 3.688 -20.885 395 HB3 LEU 43 2HB LEU 43 -9.888 3.151 -19.667 396 HG LEU 43 HG LEU 43 -11.938 1.547 -21.156 397 HD11 LEU 43 1HD1 LEU 43 -9.185 0.622 -20.602 398 HD12 LEU 43 2HD1 LEU 43 -9.364 1.982 -21.709 399 HD13 LEU 43 3HD1 LEU 43 -10.172 0.453 -22.054 400 HD21 LEU 43 3HD2 LEU 43 -10.646 0.911 -18.519 401 HD22 LEU 43 1HD2 LEU 43 -11.230 -0.343 -19.613 402 HD23 LEU 43 2HD2 LEU 43 -12.355 0.843 -18.951 403 H ALA 44 HN ALA 44 -13.007 5.315 -20.282 404 HA ALA 44 HA ALA 44 -11.415 7.548 -19.570 405 HB1 ALA 44 1HB ALA 44 -12.598 7.513 -21.670 406 HB2 ALA 44 2HB ALA 44 -14.149 7.416 -20.835 407 HB3 ALA 44 3HB ALA 44 -13.167 8.875 -20.705 408 H LEU 45 HN LEU 45 -14.188 6.055 -18.136 409 HA LEU 45 HA LEU 45 -14.956 8.337 -16.562 410 HB2 LEU 45 1HB LEU 45 -16.824 7.154 -16.458 411 HB3 LEU 45 2HB LEU 45 -16.015 5.759 -17.170 412 HG LEU 45 HG LEU 45 -15.226 5.237 -14.788 413 HD11 LEU 45 1HD1 LEU 45 -16.116 6.301 -12.996 414 HD12 LEU 45 2HD1 LEU 45 -17.619 6.692 -13.830 415 HD13 LEU 45 3HD1 LEU 45 -16.166 7.643 -14.140 416 HD21 LEU 45 3HD2 LEU 45 -17.116 3.906 -14.397 417 HD22 LEU 45 1HD2 LEU 45 -17.065 4.108 -16.148 418 HD23 LEU 45 2HD2 LEU 45 -18.198 5.056 -15.184 419 H LEU 46 HN LEU 46 -13.230 5.296 -15.974 420 HA LEU 46 HA LEU 46 -12.724 5.953 -13.213 421 HB2 LEU 46 1HB LEU 46 -11.288 3.816 -14.737 422 HB3 LEU 46 2HB LEU 46 -11.721 3.862 -13.029 423 HG LEU 46 HG LEU 46 -13.736 3.561 -15.250 424 HD11 LEU 46 1HD1 LEU 46 -11.912 1.617 -14.065 425 HD12 LEU 46 2HD1 LEU 46 -12.893 1.512 -15.526 426 HD13 LEU 46 3HD1 LEU 46 -13.610 1.151 -13.955 427 HD21 LEU 46 3HD2 LEU 46 -14.041 4.218 -12.577 428 HD22 LEU 46 1HD2 LEU 46 -14.372 2.487 -12.635 429 HD23 LEU 46 2HD2 LEU 46 -15.290 3.594 -13.656 430 H THR 47 HN THR 47 -11.365 6.847 -16.140 431 HA THR 47 HA THR 47 -8.732 7.348 -14.925 432 HB THR 47 HB THR 47 -9.498 7.360 -17.851 433 HG1 THR 47 1HG THR 47 -8.672 5.359 -17.919 434 HG21 THR 47 3HG2 THR 47 -6.802 7.638 -16.517 435 HG22 THR 47 1HG2 THR 47 -7.674 8.912 -17.368 436 HG23 THR 47 2HG2 THR 47 -7.080 7.507 -18.254 437 H ASP 48 HN ASP 48 -10.835 8.912 -17.349 438 HA ASP 48 HA ASP 48 -9.788 11.510 -16.732 439 HB2 ASP 48 1HB ASP 48 -11.456 10.328 -18.774 440 HB3 ASP 48 2HB ASP 48 -12.171 11.826 -18.186 441 H GLU 49 HN GLU 49 -12.090 9.545 -15.292 442 HA GLU 49 HA GLU 49 -13.223 11.852 -13.867 443 HB2 GLU 49 1HB GLU 49 -14.636 9.926 -15.495 444 HB3 GLU 49 2HB GLU 49 -15.199 9.864 -13.831 445 HG2 GLU 49 1HG GLU 49 -15.463 12.372 -13.961 446 HG3 GLU 49 2HG GLU 49 -15.197 12.216 -15.696 447 H GLN 50 HN GLN 50 -11.081 9.815 -13.325 448 HA GLN 50 HA GLN 50 -11.826 7.893 -11.491 449 HB2 GLN 50 1HB GLN 50 -9.575 7.869 -10.747 450 HB3 GLN 50 2HB GLN 50 -9.521 8.309 -12.449 451 HG2 GLN 50 1HG GLN 50 -9.625 10.509 -10.469 452 HG3 GLN 50 2HG GLN 50 -8.125 9.592 -10.601 453 HE21 GLN 50 1HE2 GLN 50 -10.335 11.730 -12.220 454 HE22 GLN 50 2HE2 GLN 50 -9.286 12.156 -13.525 455 H GLY 51 HN GLY 51 -11.809 11.326 -11.144 456 HA2 GLY 51 2HA GLY 51 -12.795 12.585 -9.463 457 HA3 GLY 51 3HA GLY 51 -13.064 11.105 -8.554 458 H GLN 52 HN GLN 52 -9.986 12.305 -9.807 459 HA GLN 52 HA GLN 52 -8.836 12.078 -7.158 460 HB2 GLN 52 1HB GLN 52 -7.862 12.054 -9.883 461 HB3 GLN 52 2HB GLN 52 -6.912 13.147 -8.885 462 HG2 GLN 52 1HG GLN 52 -7.400 10.653 -7.523 463 HG3 GLN 52 2HG GLN 52 -6.641 10.392 -9.092 464 HE21 GLN 52 1HE2 GLN 52 -6.323 12.975 -6.687 465 HE22 GLN 52 2HE2 GLN 52 -4.615 12.815 -6.487 466 H ARG 53 HN ARG 53 -9.780 14.581 -9.409 467 HA ARG 53 HA ARG 53 -9.154 16.584 -7.349 468 HB2 ARG 53 1HB ARG 53 -8.563 18.174 -9.182 469 HB3 ARG 53 2HB ARG 53 -7.438 16.833 -9.010 470 HG2 ARG 53 1HG ARG 53 -8.021 15.902 -11.006 471 HG3 ARG 53 2HG ARG 53 -9.666 16.540 -10.948 472 HD2 ARG 53 1HD ARG 53 -7.234 18.268 -11.350 473 HD3 ARG 53 2HD ARG 53 -8.149 17.564 -12.683 474 HE ARG 53 HE ARG 53 -9.912 18.947 -10.992 475 HH11 ARG 53 1HH1 ARG 53 -7.332 19.553 -13.250 476 HH12 ARG 53 2HH1 ARG 53 -7.924 21.116 -13.707 477 HH21 ARG 53 1HH2 ARG 53 -10.702 21.003 -11.586 478 HH22 ARG 53 2HH2 ARG 53 -9.841 21.940 -12.760 479 H HIS 54 HN HIS 54 -11.620 15.460 -7.504 480 HA HIS 54 HA HIS 54 -13.322 17.656 -7.774 481 HB2 HIS 54 1HB HIS 54 -12.717 16.657 -10.267 482 HB3 HIS 54 2HB HIS 54 -14.230 15.838 -9.887 483 HD1 HIS 54 1HD HIS 54 -16.339 17.352 -9.556 484 HD2 HIS 54 2HD HIS 54 -12.933 19.362 -10.828 485 HE1 HIS 54 1HE HIS 54 -17.142 19.599 -10.350 486 H HIS 55 HN HIS 55 -15.230 17.268 -6.763 487 HA HIS 55 HA HIS 55 -15.566 15.059 -5.147 488 HB2 HIS 55 1HB HIS 55 -17.961 15.782 -4.964 489 HB3 HIS 55 2HB HIS 55 -16.794 17.074 -4.700 490 HD1 HIS 55 1HD HIS 55 -16.508 18.802 -6.701 491 HD2 HIS 55 2HD HIS 55 -19.736 16.206 -7.013 492 HE1 HIS 55 1HE HIS 55 -18.011 19.805 -8.451 493 H GLY 56 HN GLY 56 -15.518 13.032 -5.941 494 HA2 GLY 56 2HA GLY 56 -17.658 12.300 -7.822 495 HA3 GLY 56 3HA GLY 56 -16.007 11.804 -8.163 496 H TRP 57 HN TRP 57 -18.090 11.811 -5.267 497 HA TRP 57 HA TRP 57 -17.403 8.966 -4.913 498 HB2 TRP 57 1HB TRP 57 -18.286 10.203 -2.464 499 HB3 TRP 57 2HB TRP 57 -16.766 9.383 -2.811 500 HD1 TRP 57 HD TRP 57 -14.689 10.918 -3.573 501 HE1 TRP 57 1HE TRP 57 -14.211 13.424 -3.234 502 HE3 TRP 57 3HE TRP 57 -19.395 12.481 -2.329 503 HZ2 TRP 57 2HZ TRP 57 -15.640 15.755 -2.532 504 HZ3 TRP 57 3HZ TRP 57 -19.755 14.865 -1.838 505 HH2 TRP 57 HH TRP 57 -17.915 16.466 -1.938 506 H GLY 58 HN GLY 58 -19.856 11.328 -3.823 507 HA2 GLY 58 2HA GLY 58 -22.124 11.111 -3.533 508 HA3 GLY 58 3HA GLY 58 -22.063 10.158 -5.008 509 H ARG 59 HN ARG 59 -20.322 9.117 -2.191 510 HA ARG 59 HA ARG 59 -20.424 7.076 -1.134 511 HB2 ARG 59 1HB ARG 59 -21.964 8.730 0.095 512 HB3 ARG 59 2HB ARG 59 -23.292 7.832 -0.628 513 HG2 ARG 59 1HG ARG 59 -21.250 6.229 0.770 514 HG3 ARG 59 2HG ARG 59 -22.257 7.272 1.776 515 HD2 ARG 59 1HD ARG 59 -23.709 5.564 1.738 516 HD3 ARG 59 2HD ARG 59 -24.107 6.149 0.123 517 HE ARG 59 HE ARG 59 -22.063 4.476 -0.365 518 HH11 ARG 59 1HH1 ARG 59 -24.984 4.121 1.496 519 HH12 ARG 59 2HH1 ARG 59 -25.111 2.416 1.213 520 HH21 ARG 59 1HH2 ARG 59 -22.220 2.233 -0.744 521 HH22 ARG 59 2HH2 ARG 59 -23.538 1.343 -0.061 522 H LYS 60 HN LYS 60 -20.358 6.090 -3.389 523 HA LYS 60 HA LYS 60 -20.958 4.360 -4.740 524 HB2 LYS 60 1HB LYS 60 -21.653 3.457 -2.377 525 HB3 LYS 60 2HB LYS 60 -23.288 3.707 -2.974 526 HG2 LYS 60 1HG LYS 60 -21.501 2.252 -4.796 527 HG3 LYS 60 2HG LYS 60 -21.884 1.425 -3.284 528 HD2 LYS 60 1HD LYS 60 -24.330 2.373 -4.045 529 HD3 LYS 60 2HD LYS 60 -23.582 2.003 -5.601 530 HE2 LYS 60 1HE LYS 60 -23.434 0.015 -3.377 531 HE3 LYS 60 2HE LYS 60 -24.922 0.169 -4.309 532 HZ1 LYS 60 3HZ LYS 60 -22.499 -0.011 -5.883 533 HZ2 LYS 60 1HZ LYS 60 -23.994 -0.774 -6.102 534 HZ3 LYS 60 2HZ LYS 60 -22.876 -1.404 -5.000 535 H ASN 61 HN ASN 61 -21.634 6.374 -6.009 536 HA ASN 61 HA ASN 61 -24.501 6.680 -6.343 537 HB2 ASN 61 1HB ASN 61 -23.544 8.257 -8.264 538 HB3 ASN 61 2HB ASN 61 -23.569 8.763 -6.577 539 HD21 ASN 61 1HD2 ASN 61 -21.419 6.444 -8.131 540 HD22 ASN 61 2HD2 ASN 61 -19.964 7.332 -7.851 541 H SER 62 HN SER 62 -22.744 4.260 -7.177 542 HA SER 62 HA SER 62 -22.620 2.755 -8.887 543 HB2 SER 62 1HB SER 62 -25.202 3.693 -10.026 544 HB3 SER 62 2HB SER 62 -24.674 2.059 -9.626 545 HG SER 62 HG SER 62 -24.952 2.642 -7.401 546 H LEU 63 HN LEU 63 -21.279 5.132 -9.440 547 HA LEU 63 HA LEU 63 -21.187 5.009 -12.313 548 HB2 LEU 63 1HB LEU 63 -21.413 7.504 -12.552 549 HB3 LEU 63 2HB LEU 63 -22.901 6.620 -12.220 550 HG LEU 63 HG LEU 63 -22.382 7.294 -9.737 551 HD11 LEU 63 1HD1 LEU 63 -21.370 9.583 -9.688 552 HD12 LEU 63 2HD1 LEU 63 -20.821 9.307 -11.340 553 HD13 LEU 63 3HD1 LEU 63 -20.236 8.277 -10.034 554 HD21 LEU 63 3HD2 LEU 63 -23.472 9.159 -11.840 555 HD22 LEU 63 1HD2 LEU 63 -23.669 9.390 -10.102 556 HD23 LEU 63 2HD2 LEU 63 -24.373 7.977 -10.889 557 H THR 64 HN THR 64 -19.508 4.627 -9.859 558 HA THR 64 HA THR 64 -17.239 6.277 -10.746 559 HB THR 64 HB THR 64 -16.558 5.988 -8.182 560 HG1 THR 64 1HG THR 64 -18.763 4.949 -7.915 561 HG21 THR 64 3HG2 THR 64 -16.494 8.171 -8.748 562 HG22 THR 64 1HG2 THR 64 -18.060 8.237 -7.940 563 HG23 THR 64 2HG2 THR 64 -17.978 8.074 -9.695 564 H LYS 65 HN LYS 65 -15.171 5.327 -9.500 565 HA LYS 65 HA LYS 65 -14.536 2.920 -10.678 566 HB2 LYS 65 1HB LYS 65 -13.368 3.935 -8.082 567 HB3 LYS 65 2HB LYS 65 -12.600 2.845 -9.228 568 HG2 LYS 65 1HG LYS 65 -11.806 4.539 -10.417 569 HG3 LYS 65 2HG LYS 65 -13.397 5.296 -10.518 570 HD2 LYS 65 1HD LYS 65 -11.597 5.492 -8.108 571 HD3 LYS 65 2HD LYS 65 -11.633 6.689 -9.406 572 HE2 LYS 65 1HE LYS 65 -13.835 7.322 -8.906 573 HE3 LYS 65 2HE LYS 65 -14.124 5.876 -7.941 574 HZ1 LYS 65 3HZ LYS 65 -12.506 8.250 -7.236 575 HZ2 LYS 65 1HZ LYS 65 -12.352 6.785 -6.404 576 HZ3 LYS 65 2HZ LYS 65 -13.833 7.602 -6.410 577 H GLU 66 HN GLU 66 -15.967 3.511 -7.516 578 HA GLU 66 HA GLU 66 -15.730 0.913 -6.477 579 HB2 GLU 66 1HB GLU 66 -16.967 3.365 -5.716 580 HB3 GLU 66 2HB GLU 66 -18.157 2.083 -5.551 581 HG2 GLU 66 1HG GLU 66 -16.296 0.820 -4.296 582 HG3 GLU 66 2HG GLU 66 -15.529 2.401 -4.164 583 H ALA 67 HN ALA 67 -18.267 2.435 -8.419 584 HA ALA 67 HA ALA 67 -20.080 0.274 -8.358 585 HB1 ALA 67 1HB ALA 67 -20.491 2.696 -9.081 586 HB2 ALA 67 2HB ALA 67 -19.865 2.195 -10.652 587 HB3 ALA 67 3HB ALA 67 -21.302 1.419 -9.988 588 H VAL 68 HN VAL 68 -17.748 1.266 -10.870 589 HA VAL 68 HA VAL 68 -18.176 -0.809 -12.658 590 HB VAL 68 HB VAL 68 -15.542 0.552 -12.071 591 HG11 VAL 68 1HG1 VAL 68 -14.648 -0.660 -13.702 592 HG12 VAL 68 2HG1 VAL 68 -16.135 -1.606 -13.771 593 HG13 VAL 68 3HG1 VAL 68 -15.939 -0.193 -14.808 594 HG21 VAL 68 3HG2 VAL 68 -17.033 2.279 -12.585 595 HG22 VAL 68 1HG2 VAL 68 -16.261 1.907 -14.126 596 HG23 VAL 68 2HG2 VAL 68 -17.885 1.310 -13.787 597 H ALA 69 HN ALA 69 -15.933 -0.663 -9.910 598 HA ALA 69 HA ALA 69 -14.832 -3.248 -10.332 599 HB1 ALA 69 1HB ALA 69 -13.962 -1.224 -8.918 600 HB2 ALA 69 2HB ALA 69 -14.879 -1.999 -7.626 601 HB3 ALA 69 3HB ALA 69 -13.586 -2.880 -8.439 602 H LYS 70 HN LYS 70 -17.624 -2.046 -8.612 603 HA LYS 70 HA LYS 70 -18.129 -4.271 -6.972 604 HB2 LYS 70 1HB LYS 70 -19.281 -2.208 -6.557 605 HB3 LYS 70 2HB LYS 70 -19.982 -2.210 -8.170 606 HG2 LYS 70 1HG LYS 70 -21.638 -2.834 -6.521 607 HG3 LYS 70 2HG LYS 70 -21.296 -4.194 -7.593 608 HD2 LYS 70 1HD LYS 70 -21.407 -5.035 -5.359 609 HD3 LYS 70 2HD LYS 70 -19.714 -5.058 -5.858 610 HE2 LYS 70 1HE LYS 70 -19.123 -3.396 -4.410 611 HE3 LYS 70 2HE LYS 70 -20.710 -2.630 -4.471 612 HZ1 LYS 70 3HZ LYS 70 -21.555 -4.051 -2.896 613 HZ2 LYS 70 1HZ LYS 70 -19.964 -3.879 -2.347 614 HZ3 LYS 70 2HZ LYS 70 -20.418 -5.267 -3.200 615 H ILE 71 HN ILE 71 -19.397 -3.452 -10.196 616 HA ILE 71 HA ILE 71 -20.899 -5.833 -10.498 617 HB ILE 71 HB ILE 71 -19.782 -4.208 -12.774 618 HG12 ILE 71 1HG1 ILE 71 -20.756 -2.616 -11.240 619 HG13 ILE 71 2HG1 ILE 71 -21.863 -2.841 -12.590 620 HG21 ILE 71 1HG2 ILE 71 -21.723 -4.948 -13.966 621 HG22 ILE 71 2HG2 ILE 71 -20.939 -6.358 -13.254 622 HG23 ILE 71 3HG2 ILE 71 -22.392 -5.689 -12.512 623 HD11 ILE 71 3HD1 ILE 71 -23.075 -2.744 -10.507 624 HD12 ILE 71 1HD1 ILE 71 -23.207 -4.356 -11.210 625 HD13 ILE 71 2HD1 ILE 71 -22.113 -4.071 -9.857 626 H VAL 72 HN VAL 72 -17.747 -4.852 -11.842 627 HA VAL 72 HA VAL 72 -17.135 -7.153 -13.244 628 HB VAL 72 HB VAL 72 -15.307 -5.265 -11.764 629 HG11 VAL 72 1HG1 VAL 72 -13.506 -6.239 -13.212 630 HG12 VAL 72 2HG1 VAL 72 -14.096 -7.310 -11.940 631 HG13 VAL 72 3HG1 VAL 72 -14.621 -7.547 -13.607 632 HG21 VAL 72 3HG2 VAL 72 -16.653 -4.394 -13.680 633 HG22 VAL 72 1HG2 VAL 72 -14.908 -4.289 -13.912 634 HG23 VAL 72 2HG2 VAL 72 -15.830 -5.557 -14.719 635 H ASP 73 HN ASP 73 -16.720 -6.471 -9.806 636 HA ASP 73 HA ASP 73 -15.280 -8.833 -9.188 637 HB2 ASP 73 1HB ASP 73 -16.890 -6.908 -7.517 638 HB3 ASP 73 2HB ASP 73 -16.103 -8.320 -6.818 639 H ASP 74 HN ASP 74 -18.721 -7.998 -9.035 640 HA ASP 74 HA ASP 74 -19.629 -10.392 -7.892 641 HB2 ASP 74 1HB ASP 74 -20.807 -8.069 -9.195 642 HB3 ASP 74 2HB ASP 74 -21.686 -9.550 -9.563 643 H THR 75 HN THR 75 -19.473 -9.418 -11.314 644 HA THR 75 HA THR 75 -20.428 -11.815 -12.398 645 HB THR 75 HB THR 75 -18.416 -10.591 -14.094 646 HG1 THR 75 1HG THR 75 -20.502 -8.834 -13.339 647 HG21 THR 75 3HG2 THR 75 -19.961 -11.115 -15.615 648 HG22 THR 75 1HG2 THR 75 -21.158 -10.086 -14.831 649 HG23 THR 75 2HG2 THR 75 -20.953 -11.757 -14.306 650 H TYR 76 HN TYR 76 -17.130 -10.779 -11.632 651 HA TYR 76 HA TYR 76 -15.840 -13.059 -12.704 652 HB2 TYR 76 1HB TYR 76 -14.860 -10.748 -12.003 653 HB3 TYR 76 2HB TYR 76 -14.712 -11.483 -10.411 654 HD1 TYR 76 1HD TYR 76 -13.683 -11.845 -13.958 655 HD2 TYR 76 2HD TYR 76 -12.925 -12.935 -9.915 656 HE1 TYR 76 1HE TYR 76 -11.557 -12.876 -14.641 657 HE2 TYR 76 2HE TYR 76 -10.796 -13.967 -10.587 658 HH TYR 76 HH TYR 76 -10.033 -14.791 -13.633 659 H ARG 77 HN ARG 77 -16.893 -12.222 -9.420 660 HA ARG 77 HA ARG 77 -15.894 -14.436 -8.072 661 HB2 ARG 77 1HB ARG 77 -17.896 -12.376 -7.580 662 HB3 ARG 77 2HB ARG 77 -18.314 -13.907 -6.823 663 HG2 ARG 77 1HG ARG 77 -17.065 -13.102 -5.140 664 HG3 ARG 77 2HG ARG 77 -15.728 -13.727 -6.109 665 HD2 ARG 77 1HD ARG 77 -16.763 -10.929 -6.449 666 HD3 ARG 77 2HD ARG 77 -15.549 -11.329 -5.234 667 HE ARG 77 HE ARG 77 -14.899 -12.220 -7.895 668 HH11 ARG 77 1HH1 ARG 77 -14.705 -9.607 -5.603 669 HH12 ARG 77 2HH1 ARG 77 -13.326 -8.876 -6.355 670 HH21 ARG 77 1HH2 ARG 77 -13.083 -11.267 -8.895 671 HH22 ARG 77 2HH2 ARG 77 -12.405 -9.820 -8.228 672 H LYS 78 HN LYS 78 -19.009 -14.029 -9.720 673 HA LYS 78 HA LYS 78 -19.844 -16.721 -9.136 674 HB2 LYS 78 1HB LYS 78 -21.823 -16.203 -10.386 675 HB3 LYS 78 2HB LYS 78 -21.428 -14.802 -9.400 676 HG2 LYS 78 1HG LYS 78 -20.428 -13.713 -11.348 677 HG3 LYS 78 2HG LYS 78 -20.838 -15.117 -12.337 678 HD2 LYS 78 1HD LYS 78 -22.522 -13.475 -12.710 679 HD3 LYS 78 2HD LYS 78 -23.240 -14.737 -11.706 680 HE2 LYS 78 1HE LYS 78 -23.771 -13.215 -10.180 681 HE3 LYS 78 2HE LYS 78 -22.064 -12.819 -9.980 682 HZ1 LYS 78 3HZ LYS 78 -23.738 -11.650 -12.127 683 HZ2 LYS 78 1HZ LYS 78 -22.212 -11.140 -11.605 684 HZ3 LYS 78 2HZ LYS 78 -23.561 -10.925 -10.608 685 H MET 79 HN MET 79 -18.071 -15.131 -11.630 686 HA MET 79 HA MET 79 -18.534 -16.960 -13.738 687 HB2 MET 79 1HB MET 79 -17.623 -14.813 -14.264 688 HB3 MET 79 2HB MET 79 -16.264 -15.053 -13.174 689 HG2 MET 79 1HG MET 79 -15.097 -16.250 -14.672 690 HG3 MET 79 2HG MET 79 -16.531 -17.051 -15.310 691 HE1 MET 79 3HE MET 79 -14.834 -13.579 -15.009 692 HE2 MET 79 1HE MET 79 -13.787 -14.480 -16.107 693 HE3 MET 79 2HE MET 79 -14.697 -13.090 -16.699 694 H GLN 80 HN GLN 80 -15.676 -16.608 -11.626 695 HA GLN 80 HA GLN 80 -15.341 -19.517 -11.698 696 HB2 GLN 80 1HB GLN 80 -13.196 -17.496 -12.362 697 HB3 GLN 80 2HB GLN 80 -12.870 -19.187 -12.005 698 HG2 GLN 80 1HG GLN 80 -14.822 -19.278 -13.964 699 HG3 GLN 80 2HG GLN 80 -13.772 -17.950 -14.457 700 HE21 GLN 80 1HE2 GLN 80 -11.333 -18.794 -13.610 701 HE22 GLN 80 2HE2 GLN 80 -10.873 -20.227 -14.458 702 H ILE 81 HN ILE 81 -15.485 -16.685 -9.965 703 HA ILE 81 HA ILE 81 -15.323 -16.282 -7.722 704 HB ILE 81 HB ILE 81 -14.192 -19.057 -7.393 705 HG12 ILE 81 1HG1 ILE 81 -17.098 -18.248 -7.197 706 HG13 ILE 81 2HG1 ILE 81 -16.396 -19.017 -8.616 707 HG21 ILE 81 1HG2 ILE 81 -14.555 -16.951 -5.600 708 HG22 ILE 81 2HG2 ILE 81 -15.876 -18.072 -5.274 709 HG23 ILE 81 3HG2 ILE 81 -14.206 -18.635 -5.211 710 HD11 ILE 81 3HD1 ILE 81 -15.928 -21.004 -7.396 711 HD12 ILE 81 1HD1 ILE 81 -16.359 -20.234 -5.869 712 HD13 ILE 81 2HD1 ILE 81 -17.603 -20.555 -7.077 713 H GLN 82 HN GLN 82 -12.574 -18.337 -8.701 714 HA GLN 82 HA GLN 82 -10.325 -18.010 -8.611 715 HB2 GLN 82 1HB GLN 82 -10.853 -15.956 -9.877 716 HB3 GLN 82 2HB GLN 82 -11.061 -15.088 -8.362 717 HG2 GLN 82 1HG GLN 82 -8.858 -14.775 -9.546 718 HG3 GLN 82 2HG GLN 82 -8.777 -15.224 -7.843 719 HE21 GLN 82 1HE2 GLN 82 -8.111 -17.307 -7.280 720 HE22 GLN 82 2HE2 GLN 82 -7.248 -18.317 -8.386 721 H CYS 83 HN CYS 83 -10.490 -15.131 -6.744 722 HA CYS 83 HA CYS 83 -10.765 -16.039 -4.155 723 HB2 CYS 83 1HB CYS 83 -8.406 -17.079 -5.308 724 HB3 CYS 83 2HB CYS 83 -7.897 -15.821 -4.188 725 HG CYS 83 HG CYS 83 -7.818 -18.411 -2.996 726 H ALA 84 HN ALA 84 -11.125 -13.707 -5.815 727 HA ALA 84 HA ALA 84 -10.968 -11.436 -5.734 728 HB1 ALA 84 1HB ALA 84 -10.724 -10.438 -3.515 729 HB2 ALA 84 2HB ALA 84 -11.832 -11.810 -3.486 730 HB3 ALA 84 3HB ALA 84 -10.187 -11.991 -2.874 731 HA PRO 85 HA PRO 85 -6.509 -11.279 -6.615 732 HB2 PRO 85 1HB PRO 85 -6.765 -9.489 -8.640 733 HB3 PRO 85 2HB PRO 85 -7.023 -11.225 -8.854 734 HG2 PRO 85 1HG PRO 85 -9.037 -9.043 -8.472 735 HG3 PRO 85 2HG PRO 85 -9.074 -10.416 -9.594 736 HD2 PRO 85 1HD PRO 85 -10.458 -10.399 -7.267 737 HD3 PRO 85 2HD PRO 85 -9.790 -11.886 -7.970 738 H ASP 86 HN ASP 86 -8.718 -9.113 -5.324 739 HA ASP 86 HA ASP 86 -8.508 -7.201 -4.108 740 HB2 ASP 86 1HB ASP 86 -6.367 -8.568 -3.390 741 HB3 ASP 86 2HB ASP 86 -5.524 -7.300 -4.276 742 H LEU 87 HN LEU 87 -9.353 -6.097 -5.984 743 HA LEU 87 HA LEU 87 -7.598 -4.873 -7.877 744 HB2 LEU 87 1HB LEU 87 -9.711 -3.515 -8.395 745 HB3 LEU 87 2HB LEU 87 -9.730 -5.250 -8.702 746 HG LEU 87 HG LEU 87 -11.790 -4.125 -7.610 747 HD11 LEU 87 1HD1 LEU 87 -12.289 -6.277 -7.440 748 HD12 LEU 87 2HD1 LEU 87 -11.467 -6.312 -5.881 749 HD13 LEU 87 3HD1 LEU 87 -10.581 -6.709 -7.353 750 HD21 LEU 87 3HD2 LEU 87 -10.137 -4.558 -5.132 751 HD22 LEU 87 1HD2 LEU 87 -11.756 -3.871 -5.253 752 HD23 LEU 87 2HD2 LEU 87 -10.370 -2.975 -5.876 753 H ALA 88 HN ALA 88 -8.086 -4.247 -4.690 754 HA ALA 88 HA ALA 88 -7.775 -2.455 -3.310 755 HB1 ALA 88 1HB ALA 88 -5.799 -2.197 -5.489 756 HB2 ALA 88 2HB ALA 88 -6.026 -0.781 -4.462 757 HB3 ALA 88 3HB ALA 88 -5.561 -2.324 -3.746 758 H THR 89 HN THR 89 -10.090 -1.930 -3.924 759 HA THR 89 HA THR 89 -10.256 0.619 -5.383 760 HB THR 89 HB THR 89 -12.767 0.131 -5.342 761 HG1 THR 89 1HG THR 89 -12.002 -1.847 -3.821 762 HG21 THR 89 3HG2 THR 89 -12.080 -1.986 -7.020 763 HG22 THR 89 1HG2 THR 89 -10.661 -0.941 -7.012 764 HG23 THR 89 2HG2 THR 89 -12.234 -0.288 -7.469 765 H ARG 90 HN ARG 90 -12.917 -0.208 -3.427 766 HA ARG 90 HA ARG 90 -13.912 0.909 -1.701 767 HB2 ARG 90 1HB ARG 90 -11.154 0.262 -0.766 768 HB3 ARG 90 2HB ARG 90 -12.154 1.292 0.248 769 HG2 ARG 90 1HG ARG 90 -13.857 -0.424 0.369 770 HG3 ARG 90 2HG ARG 90 -12.925 -1.451 -0.723 771 HD2 ARG 90 1HD ARG 90 -12.463 -2.267 1.431 772 HD3 ARG 90 2HD ARG 90 -11.052 -1.305 0.991 773 HE ARG 90 HE ARG 90 -12.637 0.447 2.328 774 HH11 ARG 90 1HH1 ARG 90 -11.362 -2.709 3.059 775 HH12 ARG 90 2HH1 ARG 90 -11.287 -2.427 4.767 776 HH21 ARG 90 1HH2 ARG 90 -12.542 0.831 4.575 777 HH22 ARG 90 2HH2 ARG 90 -11.959 -0.413 5.628 778 H SER 91 HN SER 91 -12.625 2.538 -3.836 779 HA SER 91 HA SER 91 -12.171 4.716 -4.322 780 HB2 SER 91 1HB SER 91 -14.224 4.696 -2.288 781 HB3 SER 91 2HB SER 91 -13.225 6.142 -2.142 782 HG SER 91 HG SER 91 -15.119 5.599 -3.945 783 H HIS 92 HN HIS 92 -9.942 4.686 -4.123 784 HA HIS 92 HA HIS 92 -8.419 4.714 -1.826 785 HB2 HIS 92 1HB HIS 92 -8.015 5.539 -4.626 786 HB3 HIS 92 2HB HIS 92 -6.935 6.310 -3.468 787 HD1 HIS 92 1HD HIS 92 -8.167 2.714 -3.528 788 HD2 HIS 92 2HD HIS 92 -4.638 4.896 -3.741 789 HE1 HIS 92 1HE HIS 92 -6.321 1.007 -3.541 790 H SER 93 HN SER 93 -8.774 7.679 -3.752 791 HA SER 93 HA SER 93 -9.915 9.289 -1.779 792 HB2 SER 93 1HB SER 93 -8.192 9.450 -0.322 793 HB3 SER 93 2HB SER 93 -7.021 8.848 -1.496 794 HG SER 93 HG SER 93 -6.545 10.833 -2.043 795 H GLY 94 HN GLY 94 -10.159 11.448 -2.442 796 HA2 GLY 94 2HA GLY 94 -8.867 12.941 -4.271 797 HA3 GLY 94 3HA GLY 94 -9.771 11.830 -5.289 798 H SER 95 HN SER 95 -9.846 14.763 -3.672 799 HA SER 95 HA SER 95 -12.738 14.981 -4.144 800 HB2 SER 95 1HB SER 95 -12.133 14.687 -1.674 801 HB3 SER 95 2HB SER 95 -11.401 16.288 -1.776 802 HG SER 95 HG SER 95 -13.851 15.844 -1.235 803 H ASP 96 HN ASP 96 -12.925 17.664 -3.248 804 HA ASP 96 HA ASP 96 -12.139 19.038 -5.582 805 HB2 ASP 96 1HB ASP 96 -13.425 19.752 -3.009 806 HB3 ASP 96 2HB ASP 96 -12.641 21.068 -3.878 807 H PHE 97 HN PHE 97 -10.351 18.122 -2.901 808 HA PHE 97 HA PHE 97 -8.223 20.007 -3.631 809 HB2 PHE 97 1HB PHE 97 -9.644 20.105 -1.213 810 HB3 PHE 97 2HB PHE 97 -8.102 19.353 -0.817 811 HD1 PHE 97 2HD PHE 97 -5.986 20.564 -1.722 812 HD2 PHE 97 1HD PHE 97 -9.802 22.401 -1.302 813 HE1 PHE 97 2HE PHE 97 -4.913 22.777 -1.698 814 HE2 PHE 97 1HE PHE 97 -8.735 24.619 -1.279 815 HZ PHE 97 HZ PHE 97 -6.288 24.809 -1.476 816 H SER 98 HN SER 98 -9.030 16.995 -3.840 817 HA SER 98 HA SER 98 -7.921 15.016 -4.016 818 HB2 SER 98 1HB SER 98 -5.304 16.380 -3.473 819 HB3 SER 98 2HB SER 98 -5.661 15.055 -4.580 820 HG SER 98 HG SER 98 -6.215 16.444 -6.074 821 H PHE 99 HN PHE 99 -8.416 13.749 -2.341 822 HA PHE 99 HA PHE 99 -8.285 12.684 -0.337 823 HB2 PHE 99 1HB PHE 99 -5.873 12.521 -0.980 824 HB3 PHE 99 2HB PHE 99 -5.577 14.003 -0.076 825 HD1 PHE 99 1HD PHE 99 -7.704 11.071 0.766 826 HD2 PHE 99 2HD PHE 99 -4.266 13.389 1.726 827 HE1 PHE 99 1HE PHE 99 -7.391 9.750 2.818 828 HE2 PHE 99 2HE PHE 99 -3.947 12.072 3.779 829 HZ PHE 99 HZ PHE 99 -5.510 10.249 4.327 830 H ARG 100 HN ARG 100 -9.911 14.655 -0.084 831 HA ARG 100 HA ARG 100 -9.334 15.765 2.547 832 HB2 ARG 100 1HB ARG 100 -8.652 17.459 0.799 833 HB3 ARG 100 2HB ARG 100 -10.343 17.539 0.324 834 HG2 ARG 100 1HG ARG 100 -10.240 17.886 3.126 835 HG3 ARG 100 2HG ARG 100 -9.005 18.925 2.413 836 HD2 ARG 100 1HD ARG 100 -10.684 19.866 0.896 837 HD3 ARG 100 2HD ARG 100 -11.914 18.831 1.619 838 HE ARG 100 HE ARG 100 -10.644 20.402 3.602 839 HH11 ARG 100 1HH1 ARG 100 -12.945 20.601 0.998 840 HH12 ARG 100 2HH1 ARG 100 -13.806 21.938 1.687 841 HH21 ARG 100 1HH2 ARG 100 -11.769 22.162 4.520 842 HH22 ARG 100 2HH2 ARG 100 -13.136 22.825 3.690 843 HA PRO 101 HA PRO 101 -13.581 14.087 2.359 844 HB2 PRO 101 1HB PRO 101 -13.619 13.340 4.968 845 HB3 PRO 101 2HB PRO 101 -12.909 12.342 3.694 846 HG2 PRO 101 1HG PRO 101 -11.558 14.176 5.636 847 HG3 PRO 101 2HG PRO 101 -11.078 12.552 5.111 848 HD2 PRO 101 1HD PRO 101 -9.946 14.800 4.113 849 HD3 PRO 101 2HD PRO 101 -10.150 13.325 3.147 850 H ILE 102 HN ILE 102 -15.306 14.397 4.316 851 HA ILE 102 HA ILE 102 -15.117 17.122 5.361 852 HB ILE 102 HB ILE 102 -17.656 16.278 4.009 853 HG12 ILE 102 1HG1 ILE 102 -15.156 17.338 2.747 854 HG13 ILE 102 2HG1 ILE 102 -16.282 16.126 2.144 855 HG21 ILE 102 1HG2 ILE 102 -18.275 18.487 4.187 856 HG22 ILE 102 2HG2 ILE 102 -17.303 18.282 5.643 857 HG23 ILE 102 3HG2 ILE 102 -16.608 19.063 4.223 858 HD11 ILE 102 3HD1 ILE 102 -16.723 17.892 0.760 859 HD12 ILE 102 1HD1 ILE 102 -17.930 18.142 2.021 860 HD13 ILE 102 2HD1 ILE 102 -16.445 19.093 2.021 861 H GLU 103 HN GLU 103 -15.004 14.498 6.595 862 HA GLU 103 HA GLU 103 -15.876 13.312 8.336 863 HB2 GLU 103 1HB GLU 103 -15.555 15.678 9.272 864 HB3 GLU 103 2HB GLU 103 -17.296 15.852 9.108 865 HG2 GLU 103 1HG GLU 103 -17.741 14.281 10.745 866 HG3 GLU 103 2HG GLU 103 -16.152 13.533 10.601 867 H GLU 104 HN GLU 104 -17.350 13.099 5.949 868 HA GLU 104 HA GLU 104 -20.134 13.451 6.369 869 HB2 GLU 104 1HB GLU 104 -18.413 12.143 4.352 870 HB3 GLU 104 2HB GLU 104 -20.042 11.498 4.496 871 HG2 GLU 104 1HG GLU 104 -20.000 14.398 4.420 872 HG3 GLU 104 2HG GLU 104 -19.270 13.668 2.992 873 H ALA 105 HN ALA 105 -20.529 12.554 8.437 874 HA ALA 105 HA ALA 105 -21.243 10.944 9.878 875 HB1 ALA 105 1HB ALA 105 -21.488 8.672 8.180 876 HB2 ALA 105 2HB ALA 105 -22.760 9.690 8.857 877 HB3 ALA 105 3HB ALA 105 -22.039 10.098 7.300 Start of MODEL 11 1 H1 GLY -5 HN GLY -5 -0.693 2.420 -2.208 2 HA2 GLY -5 2HA GLY -5 -2.014 4.621 -1.203 3 HA3 GLY -5 3HA GLY -5 -1.188 4.598 -2.754 4 H SER -4 HN SER -4 -2.379 5.003 -4.491 5 HA SER -4 HA SER -4 -5.301 4.871 -4.222 6 HB2 SER -4 1HB SER -4 -3.490 6.505 -5.995 7 HB3 SER -4 2HB SER -4 -5.217 6.353 -6.315 8 HG SER -4 HG SER -4 -5.485 7.849 -4.881 9 H HIS -3 HN HIS -3 -4.515 2.432 -4.557 10 HA HIS -3 HA HIS -3 -4.649 0.566 -5.852 11 HB2 HIS -3 1HB HIS -3 -6.162 2.471 -7.648 12 HB3 HIS -3 2HB HIS -3 -6.077 0.730 -7.903 13 HD1 HIS -3 1HD HIS -3 -7.636 3.319 -5.708 14 HD2 HIS -3 2HD HIS -3 -7.641 -0.811 -6.163 15 HE1 HIS -3 1HE HIS -3 -9.542 2.489 -4.293 16 H MET -2 HN MET -2 -2.243 1.889 -6.010 17 HA MET -2 HA MET -2 -0.310 1.878 -7.211 18 HB2 MET -2 1HB MET -2 -1.609 -0.323 -8.088 19 HB3 MET -2 2HB MET -2 -1.487 0.577 -9.594 20 HG2 MET -2 1HG MET -2 0.900 0.668 -9.416 21 HG3 MET -2 2HG MET -2 0.849 -0.054 -7.810 22 HE1 MET -2 3HE MET -2 -1.319 -2.696 -8.348 23 HE2 MET -2 1HE MET -2 0.146 -3.677 -8.279 24 HE3 MET -2 2HE MET -2 -0.005 -2.246 -7.260 25 H ALA -1 HN ALA -1 -1.855 4.149 -7.342 26 HA ALA -1 HA ALA -1 -1.979 6.124 -8.469 27 HB1 ALA -1 1HB ALA -1 -0.510 5.347 -10.861 28 HB2 ALA -1 2HB ALA -1 -0.180 6.626 -9.692 29 HB3 ALA -1 3HB ALA -1 0.350 4.976 -9.367 30 H SER 1 HN SER 1 -3.914 3.993 -8.900 31 HA SER 1 HA SER 1 -5.850 3.784 -10.099 32 HB2 SER 1 1HB SER 1 -5.217 6.326 -10.649 33 HB3 SER 1 2HB SER 1 -4.993 5.643 -12.260 34 HG SER 1 HG SER 1 -7.274 6.249 -11.001 35 H ALA 2 HN ALA 2 -2.800 3.081 -11.102 36 HA ALA 2 HA ALA 2 -3.284 2.136 -13.751 37 HB1 ALA 2 1HB ALA 2 -1.084 1.534 -13.790 38 HB2 ALA 2 2HB ALA 2 -1.041 2.719 -12.484 39 HB3 ALA 2 3HB ALA 2 -1.084 0.996 -12.110 40 H ASP 3 HN ASP 3 -3.508 0.744 -10.547 41 HA ASP 3 HA ASP 3 -3.791 -1.960 -11.478 42 HB2 ASP 3 1HB ASP 3 -2.897 -1.284 -9.208 43 HB3 ASP 3 2HB ASP 3 -4.552 -0.877 -8.764 44 H LEU 4 HN LEU 4 -5.964 0.609 -10.404 45 HA LEU 4 HA LEU 4 -8.328 -0.963 -10.468 46 HB2 LEU 4 1HB LEU 4 -8.086 1.149 -9.206 47 HB3 LEU 4 2HB LEU 4 -8.034 2.026 -10.734 48 HG LEU 4 HG LEU 4 -10.407 0.417 -10.625 49 HD11 LEU 4 1HD1 LEU 4 -10.567 2.473 -8.511 50 HD12 LEU 4 2HD1 LEU 4 -9.741 0.972 -8.093 51 HD13 LEU 4 3HD1 LEU 4 -11.409 0.931 -8.666 52 HD21 LEU 4 3HD2 LEU 4 -11.380 2.313 -11.436 53 HD22 LEU 4 1HD2 LEU 4 -9.696 2.666 -11.822 54 HD23 LEU 4 2HD2 LEU 4 -10.440 3.379 -10.391 55 H VAL 5 HN VAL 5 -6.769 1.194 -12.799 56 HA VAL 5 HA VAL 5 -8.825 1.002 -14.759 57 HB VAL 5 HB VAL 5 -5.932 1.831 -14.996 58 HG11 VAL 5 1HG1 VAL 5 -6.691 2.848 -17.174 59 HG12 VAL 5 2HG1 VAL 5 -6.563 1.088 -17.159 60 HG13 VAL 5 3HG1 VAL 5 -8.145 1.860 -17.037 61 HG21 VAL 5 3HG2 VAL 5 -7.745 3.165 -13.659 62 HG22 VAL 5 1HG2 VAL 5 -6.632 4.008 -14.737 63 HG23 VAL 5 2HG2 VAL 5 -8.277 3.657 -15.267 64 H SER 6 HN SER 6 -5.603 -0.497 -14.501 65 HA SER 6 HA SER 6 -5.759 -2.066 -16.806 66 HB2 SER 6 1HB SER 6 -4.250 -2.541 -14.227 67 HB3 SER 6 2HB SER 6 -4.009 -3.481 -15.700 68 HG SER 6 HG SER 6 -3.715 -1.200 -16.630 69 H SER 7 HN SER 7 -6.799 -2.726 -13.497 70 HA SER 7 HA SER 7 -7.534 -5.434 -13.980 71 HB2 SER 7 1HB SER 7 -8.266 -3.492 -11.782 72 HB3 SER 7 2HB SER 7 -8.790 -5.176 -11.798 73 HG SER 7 HG SER 7 -6.108 -4.243 -11.796 74 H CYS 8 HN CYS 8 -9.402 -2.419 -13.716 75 HA CYS 8 HA CYS 8 -11.931 -3.530 -14.163 76 HB2 CYS 8 1HB CYS 8 -10.771 -0.787 -14.506 77 HB3 CYS 8 2HB CYS 8 -12.402 -1.120 -15.075 78 HG CYS 8 HG CYS 8 -11.748 -0.021 -12.249 79 H LYS 9 HN LYS 9 -9.559 -2.202 -16.437 80 HA LYS 9 HA LYS 9 -11.132 -2.462 -18.758 81 HB2 LYS 9 1HB LYS 9 -9.224 -1.065 -18.889 82 HB3 LYS 9 2HB LYS 9 -8.157 -2.336 -18.304 83 HG2 LYS 9 1HG LYS 9 -9.513 -3.115 -20.738 84 HG3 LYS 9 2HG LYS 9 -8.598 -1.619 -20.940 85 HD2 LYS 9 1HD LYS 9 -7.089 -3.567 -19.433 86 HD3 LYS 9 2HD LYS 9 -7.603 -4.227 -20.987 87 HE2 LYS 9 1HE LYS 9 -6.389 -1.497 -20.833 88 HE3 LYS 9 2HE LYS 9 -5.358 -2.926 -20.815 89 HZ1 LYS 9 3HZ LYS 9 -5.835 -3.413 -22.960 90 HZ2 LYS 9 1HZ LYS 9 -6.086 -1.742 -23.046 91 HZ3 LYS 9 2HZ LYS 9 -7.405 -2.788 -22.889 92 H ASP 10 HN ASP 10 -8.546 -4.571 -17.500 93 HA ASP 10 HA ASP 10 -8.651 -6.577 -19.383 94 HB2 ASP 10 1HB ASP 10 -6.973 -6.472 -17.584 95 HB3 ASP 10 2HB ASP 10 -8.209 -6.910 -16.408 96 H LYS 11 HN LYS 11 -10.554 -6.348 -16.385 97 HA LYS 11 HA LYS 11 -12.035 -8.716 -16.816 98 HB2 LYS 11 1HB LYS 11 -12.092 -6.454 -14.948 99 HB3 LYS 11 2HB LYS 11 -13.675 -7.154 -15.262 100 HG2 LYS 11 1HG LYS 11 -13.236 -8.817 -13.875 101 HG3 LYS 11 2HG LYS 11 -11.823 -9.271 -14.831 102 HD2 LYS 11 1HD LYS 11 -10.380 -8.257 -13.416 103 HD3 LYS 11 2HD LYS 11 -11.484 -6.921 -13.082 104 HE2 LYS 11 1HE LYS 11 -12.800 -8.969 -11.903 105 HE3 LYS 11 2HE LYS 11 -11.130 -9.490 -11.685 106 HZ1 LYS 11 3HZ LYS 11 -11.845 -6.722 -11.023 107 HZ2 LYS 11 1HZ LYS 11 -10.653 -7.716 -10.350 108 HZ3 LYS 11 2HZ LYS 11 -12.278 -7.951 -9.944 109 H LEU 12 HN LEU 12 -12.927 -5.296 -17.281 110 HA LEU 12 HA LEU 12 -15.465 -5.632 -18.298 111 HB2 LEU 12 1HB LEU 12 -14.239 -3.479 -17.762 112 HB3 LEU 12 2HB LEU 12 -13.514 -3.605 -19.363 113 HG LEU 12 HG LEU 12 -16.279 -3.833 -19.765 114 HD11 LEU 12 1HD1 LEU 12 -16.921 -1.553 -18.765 115 HD12 LEU 12 2HD1 LEU 12 -15.578 -1.824 -17.656 116 HD13 LEU 12 3HD1 LEU 12 -16.923 -2.963 -17.706 117 HD21 LEU 12 3HD2 LEU 12 -15.982 -1.640 -20.869 118 HD22 LEU 12 1HD2 LEU 12 -14.736 -2.808 -21.308 119 HD23 LEU 12 2HD2 LEU 12 -14.375 -1.526 -20.151 120 H ALA 13 HN ALA 13 -12.379 -5.758 -20.031 121 HA ALA 13 HA ALA 13 -13.506 -6.105 -22.610 122 HB1 ALA 13 1HB ALA 13 -10.823 -7.224 -22.022 123 HB2 ALA 13 2HB ALA 13 -11.364 -6.222 -23.369 124 HB3 ALA 13 3HB ALA 13 -11.055 -5.491 -21.794 125 H TYR 14 HN TYR 14 -12.454 -8.347 -20.099 126 HA TYR 14 HA TYR 14 -12.775 -10.691 -21.697 127 HB2 TYR 14 1HB TYR 14 -11.279 -10.632 -19.742 128 HB3 TYR 14 2HB TYR 14 -12.667 -10.402 -18.686 129 HD1 TYR 14 1HD TYR 14 -11.981 -12.737 -21.527 130 HD2 TYR 14 2HD TYR 14 -13.022 -12.300 -17.425 131 HE1 TYR 14 1HE TYR 14 -12.232 -15.176 -21.337 132 HE2 TYR 14 2HE TYR 14 -13.275 -14.738 -17.223 133 HH TYR 14 HH TYR 14 -13.784 -16.725 -19.464 134 H PHE 15 HN PHE 15 -14.920 -8.656 -19.980 135 HA PHE 15 HA PHE 15 -16.998 -10.712 -19.845 136 HB2 PHE 15 1HB PHE 15 -17.061 -7.863 -18.831 137 HB3 PHE 15 2HB PHE 15 -18.260 -9.111 -18.511 138 HD1 PHE 15 1HD PHE 15 -16.006 -11.293 -18.207 139 HD2 PHE 15 2HD PHE 15 -16.722 -7.480 -16.457 140 HE1 PHE 15 1HE PHE 15 -14.755 -11.981 -16.203 141 HE2 PHE 15 2HE PHE 15 -15.471 -8.161 -14.451 142 HZ PHE 15 HZ PHE 15 -14.485 -10.414 -14.323 143 H ARG 16 HN ARG 16 -18.693 -10.776 -21.195 144 HA ARG 16 HA ARG 16 -18.706 -9.504 -23.643 145 HB2 ARG 16 1HB ARG 16 -20.123 -11.510 -22.674 146 HB3 ARG 16 2HB ARG 16 -21.317 -10.248 -22.398 147 HG2 ARG 16 1HG ARG 16 -21.938 -10.317 -24.519 148 HG3 ARG 16 2HG ARG 16 -20.284 -10.006 -25.050 149 HD2 ARG 16 1HD ARG 16 -21.341 -12.721 -24.276 150 HD3 ARG 16 2HD ARG 16 -21.263 -12.122 -25.933 151 HE ARG 16 HE ARG 16 -18.732 -11.950 -24.654 152 HH11 ARG 16 1HH1 ARG 16 -20.934 -14.187 -26.158 153 HH12 ARG 16 2HH1 ARG 16 -19.689 -15.292 -26.639 154 HH21 ARG 16 1HH2 ARG 16 -17.083 -13.397 -25.281 155 HH22 ARG 16 2HH2 ARG 16 -17.499 -14.842 -26.139 156 H ILE 17 HN ILE 17 -20.612 -8.108 -24.446 157 HA ILE 17 HA ILE 17 -20.373 -5.548 -23.454 158 HB ILE 17 HB ILE 17 -22.859 -6.569 -24.820 159 HG12 ILE 17 1HG1 ILE 17 -20.100 -6.085 -25.862 160 HG13 ILE 17 2HG1 ILE 17 -21.257 -7.338 -26.300 161 HG21 ILE 17 1HG2 ILE 17 -22.828 -4.243 -23.878 162 HG22 ILE 17 2HG2 ILE 17 -21.531 -3.876 -25.014 163 HG23 ILE 17 3HG2 ILE 17 -23.122 -4.342 -25.614 164 HD11 ILE 17 3HD1 ILE 17 -21.035 -4.536 -27.273 165 HD12 ILE 17 1HD1 ILE 17 -21.258 -6.032 -28.178 166 HD13 ILE 17 2HD1 ILE 17 -22.607 -5.335 -27.281 167 H LYS 18 HN LYS 18 -22.362 -8.134 -22.311 168 HA LYS 18 HA LYS 18 -24.434 -6.892 -21.021 169 HB2 LYS 18 1HB LYS 18 -23.262 -9.425 -20.964 170 HB3 LYS 18 2HB LYS 18 -23.230 -8.886 -19.290 171 HG2 LYS 18 1HG LYS 18 -25.248 -10.096 -19.637 172 HG3 LYS 18 2HG LYS 18 -25.663 -8.389 -19.473 173 HD2 LYS 18 1HD LYS 18 -25.349 -8.533 -22.141 174 HD3 LYS 18 2HD LYS 18 -25.880 -10.184 -21.810 175 HE2 LYS 18 1HE LYS 18 -27.795 -9.186 -20.514 176 HE3 LYS 18 2HE LYS 18 -27.311 -7.616 -21.154 177 HZ1 LYS 18 3HZ LYS 18 -29.010 -9.372 -22.351 178 HZ2 LYS 18 1HZ LYS 18 -27.562 -9.608 -23.194 179 HZ3 LYS 18 2HZ LYS 18 -28.247 -8.064 -23.106 180 H GLU 19 HN GLU 19 -21.154 -7.397 -19.734 181 HA GLU 19 HA GLU 19 -21.565 -6.139 -17.263 182 HB2 GLU 19 1HB GLU 19 -19.508 -7.501 -18.372 183 HB3 GLU 19 2HB GLU 19 -18.888 -5.860 -18.487 184 HG2 GLU 19 1HG GLU 19 -20.032 -6.446 -15.882 185 HG3 GLU 19 2HG GLU 19 -18.702 -7.523 -16.307 186 H LEU 20 HN LEU 20 -20.124 -4.837 -20.251 187 HA LEU 20 HA LEU 20 -19.731 -2.227 -19.343 188 HB2 LEU 20 1HB LEU 20 -20.251 -3.305 -22.104 189 HB3 LEU 20 2HB LEU 20 -19.835 -1.622 -21.787 190 HG LEU 20 HG LEU 20 -17.724 -2.593 -20.656 191 HD11 LEU 20 1HD1 LEU 20 -18.890 -4.971 -21.997 192 HD12 LEU 20 2HD1 LEU 20 -17.950 -4.854 -20.509 193 HD13 LEU 20 3HD1 LEU 20 -17.141 -4.749 -22.073 194 HD21 LEU 20 3HD2 LEU 20 -17.267 -1.371 -22.535 195 HD22 LEU 20 1HD2 LEU 20 -18.334 -2.335 -23.557 196 HD23 LEU 20 2HD2 LEU 20 -16.760 -2.971 -23.079 197 H LYS 21 HN LYS 21 -22.589 -3.824 -20.562 198 HA LYS 21 HA LYS 21 -24.138 -1.501 -21.043 199 HB2 LYS 21 1HB LYS 21 -24.584 -3.872 -21.867 200 HB3 LYS 21 2HB LYS 21 -25.227 -4.203 -20.264 201 HG2 LYS 21 1HG LYS 21 -26.274 -1.881 -21.816 202 HG3 LYS 21 2HG LYS 21 -26.818 -3.515 -22.204 203 HD2 LYS 21 1HD LYS 21 -27.349 -3.770 -19.737 204 HD3 LYS 21 2HD LYS 21 -27.096 -2.029 -19.601 205 HE2 LYS 21 1HE LYS 21 -29.195 -1.710 -20.251 206 HE3 LYS 21 2HE LYS 21 -28.794 -2.427 -21.811 207 HZ1 LYS 21 3HZ LYS 21 -30.676 -3.418 -20.306 208 HZ2 LYS 21 1HZ LYS 21 -29.380 -4.222 -19.573 209 HZ3 LYS 21 2HZ LYS 21 -29.677 -4.427 -21.225 210 H ASP 22 HN ASP 22 -23.938 -3.710 -18.266 211 HA ASP 22 HA ASP 22 -25.856 -2.424 -16.671 212 HB2 ASP 22 1HB ASP 22 -23.671 -4.377 -16.221 213 HB3 ASP 22 2HB ASP 22 -24.230 -3.492 -14.805 214 H ILE 23 HN ILE 23 -22.365 -1.950 -16.970 215 HA ILE 23 HA ILE 23 -22.091 -0.088 -14.871 216 HB ILE 23 HB ILE 23 -20.420 -0.415 -17.365 217 HG12 ILE 23 1HG1 ILE 23 -20.010 -1.455 -14.553 218 HG13 ILE 23 2HG1 ILE 23 -20.541 -2.421 -15.925 219 HG21 ILE 23 1HG2 ILE 23 -19.875 1.104 -14.820 220 HG22 ILE 23 2HG2 ILE 23 -18.664 0.745 -16.049 221 HG23 ILE 23 3HG2 ILE 23 -20.043 1.771 -16.444 222 HD11 ILE 23 3HD1 ILE 23 -17.897 -1.785 -15.089 223 HD12 ILE 23 1HD1 ILE 23 -18.427 -2.849 -16.392 224 HD13 ILE 23 2HD1 ILE 23 -18.165 -1.133 -16.706 225 H LEU 24 HN LEU 24 -22.187 0.485 -18.394 226 HA LEU 24 HA LEU 24 -22.337 3.276 -18.241 227 HB2 LEU 24 1HB LEU 24 -22.098 3.024 -20.426 228 HB3 LEU 24 2HB LEU 24 -22.382 1.293 -20.255 229 HG LEU 24 HG LEU 24 -24.682 3.199 -20.494 230 HD11 LEU 24 1HD1 LEU 24 -24.369 3.588 -22.664 231 HD12 LEU 24 2HD1 LEU 24 -23.917 1.913 -22.981 232 HD13 LEU 24 3HD1 LEU 24 -22.704 3.061 -22.414 233 HD21 LEU 24 3HD2 LEU 24 -24.258 0.322 -20.461 234 HD22 LEU 24 1HD2 LEU 24 -25.212 0.858 -21.844 235 HD23 LEU 24 2HD2 LEU 24 -25.734 1.254 -20.206 236 H ASN 25 HN ASN 25 -24.762 0.825 -17.861 237 HA ASN 25 HA ASN 25 -27.036 2.469 -18.307 238 HB2 ASN 25 1HB ASN 25 -27.672 0.278 -18.432 239 HB3 ASN 25 2HB ASN 25 -26.528 -0.236 -17.196 240 HD21 ASN 25 1HD2 ASN 25 -27.091 -0.025 -15.012 241 HD22 ASN 25 2HD2 ASN 25 -28.738 0.139 -14.517 242 H GLN 26 HN GLN 26 -25.327 1.438 -15.371 243 HA GLN 26 HA GLN 26 -27.026 2.835 -13.579 244 HB2 GLN 26 1HB GLN 26 -24.303 1.595 -13.350 245 HB3 GLN 26 2HB GLN 26 -24.956 2.557 -12.031 246 HG2 GLN 26 1HG GLN 26 -26.767 1.069 -11.719 247 HG3 GLN 26 2HG GLN 26 -26.417 0.222 -13.225 248 HE21 GLN 26 1HE2 GLN 26 -23.950 -0.487 -13.225 249 HE22 GLN 26 2HE2 GLN 26 -23.495 -1.397 -11.829 250 H LEU 27 HN LEU 27 -24.184 3.711 -15.402 251 HA LEU 27 HA LEU 27 -23.528 6.065 -13.970 252 HB2 LEU 27 1HB LEU 27 -21.789 6.058 -15.342 253 HB3 LEU 27 2HB LEU 27 -22.476 4.630 -16.113 254 HG LEU 27 HG LEU 27 -23.766 6.358 -17.568 255 HD11 LEU 27 1HD1 LEU 27 -21.477 8.143 -17.393 256 HD12 LEU 27 2HD1 LEU 27 -22.455 8.133 -15.926 257 HD13 LEU 27 3HD1 LEU 27 -23.200 8.511 -17.479 258 HD21 LEU 27 3HD2 LEU 27 -22.377 5.192 -18.894 259 HD22 LEU 27 1HD2 LEU 27 -21.042 5.279 -17.746 260 HD23 LEU 27 2HD2 LEU 27 -21.372 6.640 -18.818 261 H GLY 28 HN GLY 28 -25.892 5.330 -16.403 262 HA2 GLY 28 2HA GLY 28 -27.825 6.754 -16.611 263 HA3 GLY 28 3HA GLY 28 -26.787 8.135 -16.290 264 H LEU 29 HN LEU 29 -25.896 5.561 -18.486 265 HA LEU 29 HA LEU 29 -25.971 7.505 -20.684 266 HB2 LEU 29 1HB LEU 29 -24.166 5.369 -19.900 267 HB3 LEU 29 2HB LEU 29 -24.643 5.253 -21.593 268 HG LEU 29 HG LEU 29 -23.777 7.470 -22.027 269 HD11 LEU 29 1HD1 LEU 29 -23.913 7.691 -19.156 270 HD12 LEU 29 2HD1 LEU 29 -23.747 8.953 -20.376 271 HD13 LEU 29 3HD1 LEU 29 -22.314 8.134 -19.755 272 HD21 LEU 29 3HD2 LEU 29 -22.003 6.142 -22.434 273 HD22 LEU 29 1HD2 LEU 29 -22.100 5.348 -20.862 274 HD23 LEU 29 2HD2 LEU 29 -21.339 6.933 -21.004 275 HA PRO 30 HA PRO 30 -29.130 5.396 -22.881 276 HB2 PRO 30 1HB PRO 30 -28.276 5.597 -25.450 277 HB3 PRO 30 2HB PRO 30 -28.898 6.974 -24.534 278 HG2 PRO 30 1HG PRO 30 -26.062 6.183 -25.074 279 HG3 PRO 30 2HG PRO 30 -26.803 7.793 -25.126 280 HD2 PRO 30 1HD PRO 30 -25.333 6.934 -23.021 281 HD3 PRO 30 2HD PRO 30 -26.699 8.053 -22.838 282 H LYS 31 HN LYS 31 -29.617 3.560 -24.293 283 HA LYS 31 HA LYS 31 -28.153 1.262 -23.619 284 HB2 LYS 31 1HB LYS 31 -30.028 1.496 -25.970 285 HB3 LYS 31 2HB LYS 31 -29.658 0.058 -25.028 286 HG2 LYS 31 1HG LYS 31 -31.297 0.492 -23.606 287 HG3 LYS 31 2HG LYS 31 -30.691 2.126 -23.323 288 HD2 LYS 31 1HD LYS 31 -32.398 1.309 -25.673 289 HD3 LYS 31 2HD LYS 31 -33.011 2.071 -24.204 290 HE2 LYS 31 1HE LYS 31 -31.851 4.076 -24.641 291 HE3 LYS 31 2HE LYS 31 -30.843 3.316 -25.872 292 HZ1 LYS 31 3HZ LYS 31 -33.779 3.583 -26.159 293 HZ2 LYS 31 1HZ LYS 31 -32.644 3.212 -27.358 294 HZ3 LYS 31 2HZ LYS 31 -32.701 4.769 -26.701 295 H GLN 32 HN GLN 32 -27.968 3.426 -26.352 296 HA GLN 32 HA GLN 32 -26.556 1.811 -28.145 297 HB2 GLN 32 1HB GLN 32 -25.794 3.927 -29.164 298 HB3 GLN 32 2HB GLN 32 -27.521 3.929 -28.830 299 HG2 GLN 32 1HG GLN 32 -26.997 5.991 -28.055 300 HG3 GLN 32 2HG GLN 32 -26.723 5.061 -26.583 301 HE21 GLN 32 1HE2 GLN 32 -24.688 4.872 -25.773 302 HE22 GLN 32 2HE2 GLN 32 -23.319 5.705 -26.419 303 H GLY 33 HN GLY 33 -24.196 2.940 -28.800 304 HA2 GLY 33 2HA GLY 33 -22.047 3.527 -27.921 305 HA3 GLY 33 3HA GLY 33 -22.537 2.854 -26.373 306 H LYS 34 HN LYS 34 -21.224 2.185 -29.508 307 HA LYS 34 HA LYS 34 -21.320 -0.602 -29.539 308 HB2 LYS 34 1HB LYS 34 -19.417 -0.483 -31.087 309 HB3 LYS 34 2HB LYS 34 -20.645 0.713 -31.482 310 HG2 LYS 34 1HG LYS 34 -19.234 2.360 -30.145 311 HG3 LYS 34 2HG LYS 34 -17.959 1.140 -30.217 312 HD2 LYS 34 1HD LYS 34 -17.516 1.570 -32.374 313 HD3 LYS 34 2HD LYS 34 -19.226 1.680 -32.799 314 HE2 LYS 34 1HE LYS 34 -18.430 3.832 -33.187 315 HE3 LYS 34 2HE LYS 34 -19.163 3.948 -31.588 316 HZ1 LYS 34 3HZ LYS 34 -16.403 3.200 -31.477 317 HZ2 LYS 34 1HZ LYS 34 -17.213 4.451 -30.676 318 HZ3 LYS 34 2HZ LYS 34 -16.627 4.691 -32.244 319 H LYS 35 HN LYS 35 -19.215 -1.964 -29.440 320 HA LYS 35 HA LYS 35 -18.454 -2.287 -26.812 321 HB2 LYS 35 1HB LYS 35 -17.520 -3.273 -29.413 322 HB3 LYS 35 2HB LYS 35 -16.276 -3.266 -28.169 323 HG2 LYS 35 1HG LYS 35 -18.979 -4.557 -27.867 324 HG3 LYS 35 2HG LYS 35 -17.506 -5.405 -28.344 325 HD2 LYS 35 1HD LYS 35 -17.630 -3.796 -25.814 326 HD3 LYS 35 2HD LYS 35 -18.201 -5.466 -25.867 327 HE2 LYS 35 1HE LYS 35 -15.441 -4.563 -26.684 328 HE3 LYS 35 2HE LYS 35 -15.848 -5.244 -25.110 329 HZ1 LYS 35 3HZ LYS 35 -15.371 -7.193 -26.045 330 HZ2 LYS 35 1HZ LYS 35 -15.419 -6.571 -27.618 331 HZ3 LYS 35 2HZ LYS 35 -16.849 -7.059 -26.858 332 H GLN 36 HN GLN 36 -16.941 -0.325 -29.316 333 HA GLN 36 HA GLN 36 -14.634 0.348 -27.786 334 HB2 GLN 36 1HB GLN 36 -15.857 1.274 -30.338 335 HB3 GLN 36 2HB GLN 36 -14.698 2.340 -29.554 336 HG2 GLN 36 1HG GLN 36 -14.128 -0.537 -30.213 337 HG3 GLN 36 2HG GLN 36 -13.749 0.809 -31.286 338 HE21 GLN 36 1HE2 GLN 36 -13.057 -0.665 -28.190 339 HE22 GLN 36 2HE2 GLN 36 -11.523 0.094 -27.954 340 H ASP 37 HN ASP 37 -17.672 2.043 -28.504 341 HA ASP 37 HA ASP 37 -17.147 4.420 -27.161 342 HB2 ASP 37 1HB ASP 37 -19.438 3.113 -28.305 343 HB3 ASP 37 2HB ASP 37 -19.884 3.841 -26.764 344 H LEU 38 HN LEU 38 -18.683 1.457 -25.930 345 HA LEU 38 HA LEU 38 -19.106 2.383 -23.309 346 HB2 LEU 38 1HB LEU 38 -18.603 -0.464 -24.152 347 HB3 LEU 38 2HB LEU 38 -19.458 0.085 -22.712 348 HG LEU 38 HG LEU 38 -20.542 0.869 -25.370 349 HD11 LEU 38 1HD1 LEU 38 -20.579 -1.258 -26.064 350 HD12 LEU 38 2HD1 LEU 38 -21.864 -1.462 -24.874 351 HD13 LEU 38 3HD1 LEU 38 -20.204 -1.891 -24.461 352 HD21 LEU 38 3HD2 LEU 38 -22.071 -0.158 -23.018 353 HD22 LEU 38 1HD2 LEU 38 -22.549 1.016 -24.244 354 HD23 LEU 38 2HD2 LEU 38 -21.399 1.473 -22.986 355 H ILE 39 HN ILE 39 -16.552 0.217 -24.543 356 HA ILE 39 HA ILE 39 -15.047 -0.014 -22.245 357 HB ILE 39 HB ILE 39 -14.418 -0.197 -25.140 358 HG12 ILE 39 1HG1 ILE 39 -13.333 -2.199 -23.324 359 HG13 ILE 39 2HG1 ILE 39 -15.060 -1.958 -23.084 360 HG21 ILE 39 1HG2 ILE 39 -12.481 0.981 -24.576 361 HG22 ILE 39 2HG2 ILE 39 -12.359 0.205 -22.998 362 HG23 ILE 39 3HG2 ILE 39 -12.001 -0.713 -24.461 363 HD11 ILE 39 3HD1 ILE 39 -14.245 -2.192 -25.885 364 HD12 ILE 39 1HD1 ILE 39 -13.963 -3.632 -24.907 365 HD13 ILE 39 2HD1 ILE 39 -15.584 -2.945 -25.019 366 H ASP 40 HN ASP 40 -14.697 2.430 -24.810 367 HA ASP 40 HA ASP 40 -12.583 3.849 -23.639 368 HB2 ASP 40 1HB ASP 40 -13.713 4.019 -26.016 369 HB3 ASP 40 2HB ASP 40 -14.660 5.285 -25.241 370 H ARG 41 HN ARG 41 -16.040 3.976 -23.111 371 HA ARG 41 HA ARG 41 -16.088 6.416 -21.667 372 HB2 ARG 41 1HB ARG 41 -17.955 4.181 -22.175 373 HB3 ARG 41 2HB ARG 41 -18.241 5.090 -20.698 374 HG2 ARG 41 1HG ARG 41 -17.973 6.365 -23.408 375 HG3 ARG 41 2HG ARG 41 -19.514 5.878 -22.697 376 HD2 ARG 41 1HD ARG 41 -19.603 7.777 -21.553 377 HD3 ARG 41 2HD ARG 41 -18.071 7.391 -20.769 378 HE ARG 41 HE ARG 41 -17.642 8.432 -23.372 379 HH11 ARG 41 1HH1 ARG 41 -18.506 9.370 -20.133 380 HH12 ARG 41 2HH1 ARG 41 -17.887 10.980 -20.294 381 HH21 ARG 41 1HH2 ARG 41 -16.823 10.549 -23.597 382 HH22 ARG 41 2HH2 ARG 41 -16.931 11.650 -22.265 383 H VAL 42 HN VAL 42 -15.969 3.016 -20.640 384 HA VAL 42 HA VAL 42 -16.019 3.453 -17.879 385 HB VAL 42 HB VAL 42 -14.782 1.226 -19.493 386 HG11 VAL 42 1HG1 VAL 42 -14.843 1.677 -16.543 387 HG12 VAL 42 2HG1 VAL 42 -14.971 0.035 -17.177 388 HG13 VAL 42 3HG1 VAL 42 -13.556 1.019 -17.554 389 HG21 VAL 42 3HG2 VAL 42 -16.863 0.458 -19.612 390 HG22 VAL 42 1HG2 VAL 42 -16.954 0.421 -17.851 391 HG23 VAL 42 2HG2 VAL 42 -17.440 1.871 -18.729 392 H LEU 43 HN LEU 43 -13.177 2.824 -19.947 393 HA LEU 43 HA LEU 43 -11.236 3.264 -17.997 394 HB2 LEU 43 1HB LEU 43 -10.909 3.928 -20.912 395 HB3 LEU 43 2HB LEU 43 -9.662 3.432 -19.769 396 HG LEU 43 HG LEU 43 -11.769 1.751 -21.093 397 HD11 LEU 43 1HD1 LEU 43 -10.079 1.114 -22.374 398 HD12 LEU 43 2HD1 LEU 43 -9.166 0.606 -20.954 399 HD13 LEU 43 3HD1 LEU 43 -9.027 2.261 -21.545 400 HD21 LEU 43 3HD2 LEU 43 -10.206 1.180 -18.592 401 HD22 LEU 43 1HD2 LEU 43 -10.817 -0.106 -19.633 402 HD23 LEU 43 2HD2 LEU 43 -11.941 1.019 -18.868 403 H ALA 44 HN ALA 44 -12.897 5.525 -20.123 404 HA ALA 44 HA ALA 44 -11.292 7.784 -19.533 405 HB1 ALA 44 1HB ALA 44 -13.182 9.086 -20.468 406 HB2 ALA 44 2HB ALA 44 -12.664 7.760 -21.509 407 HB3 ALA 44 3HB ALA 44 -14.128 7.599 -20.539 408 H LEU 45 HN LEU 45 -13.950 6.250 -17.901 409 HA LEU 45 HA LEU 45 -14.565 8.490 -16.210 410 HB2 LEU 45 1HB LEU 45 -16.418 7.299 -15.979 411 HB3 LEU 45 2HB LEU 45 -15.669 5.917 -16.774 412 HG LEU 45 HG LEU 45 -14.689 5.357 -14.476 413 HD11 LEU 45 1HD1 LEU 45 -15.365 7.683 -13.612 414 HD12 LEU 45 2HD1 LEU 45 -15.617 6.290 -12.560 415 HD13 LEU 45 3HD1 LEU 45 -16.977 6.989 -13.439 416 HD21 LEU 45 3HD2 LEU 45 -16.603 4.213 -15.663 417 HD22 LEU 45 1HD2 LEU 45 -17.686 5.200 -14.682 418 HD23 LEU 45 2HD2 LEU 45 -16.585 4.063 -13.906 419 H LEU 46 HN LEU 46 -12.811 5.430 -15.828 420 HA LEU 46 HA LEU 46 -12.077 6.002 -13.108 421 HB2 LEU 46 1HB LEU 46 -10.740 3.964 -14.849 422 HB3 LEU 46 2HB LEU 46 -10.990 3.935 -13.104 423 HG LEU 46 HG LEU 46 -13.195 3.634 -15.141 424 HD11 LEU 46 1HD1 LEU 46 -11.357 1.668 -13.896 425 HD12 LEU 46 2HD1 LEU 46 -12.122 1.660 -15.485 426 HD13 LEU 46 3HD1 LEU 46 -13.055 1.221 -14.054 427 HD21 LEU 46 3HD2 LEU 46 -13.616 2.555 -12.486 428 HD22 LEU 46 1HD2 LEU 46 -14.620 3.655 -13.431 429 HD23 LEU 46 2HD2 LEU 46 -13.299 4.290 -12.450 430 H THR 47 HN THR 47 -10.950 7.000 -16.115 431 HA THR 47 HA THR 47 -8.252 7.540 -15.075 432 HB THR 47 HB THR 47 -9.239 7.623 -17.933 433 HG1 THR 47 1HG THR 47 -7.466 5.781 -16.671 434 HG21 THR 47 3HG2 THR 47 -6.766 7.736 -18.425 435 HG22 THR 47 1HG2 THR 47 -6.521 8.091 -16.715 436 HG23 THR 47 2HG2 THR 47 -7.463 9.194 -17.718 437 H ASP 48 HN ASP 48 -10.469 9.149 -17.361 438 HA ASP 48 HA ASP 48 -9.464 11.739 -16.732 439 HB2 ASP 48 1HB ASP 48 -11.300 10.578 -18.634 440 HB3 ASP 48 2HB ASP 48 -11.983 12.045 -17.939 441 H GLU 49 HN GLU 49 -11.631 9.697 -15.164 442 HA GLU 49 HA GLU 49 -12.631 11.946 -13.556 443 HB2 GLU 49 1HB GLU 49 -14.175 10.057 -15.108 444 HB3 GLU 49 2HB GLU 49 -14.583 9.941 -13.402 445 HG2 GLU 49 1HG GLU 49 -15.044 12.336 -13.345 446 HG3 GLU 49 2HG GLU 49 -14.629 12.458 -15.053 447 H GLN 50 HN GLN 50 -10.426 9.941 -13.266 448 HA GLN 50 HA GLN 50 -10.989 7.944 -11.439 449 HB2 GLN 50 1HB GLN 50 -8.685 7.894 -10.935 450 HB3 GLN 50 2HB GLN 50 -8.781 8.449 -12.601 451 HG2 GLN 50 1HG GLN 50 -8.703 10.491 -10.450 452 HG3 GLN 50 2HG GLN 50 -7.220 9.617 -10.829 453 HE21 GLN 50 1HE2 GLN 50 -9.569 11.901 -11.944 454 HE22 GLN 50 2HE2 GLN 50 -8.699 12.432 -13.338 455 H GLY 51 HN GLY 51 -11.019 11.355 -10.996 456 HA2 GLY 51 2HA GLY 51 -12.323 11.351 -8.571 457 HA3 GLY 51 3HA GLY 51 -10.613 11.376 -8.167 458 H GLN 52 HN GLN 52 -12.663 12.986 -10.603 459 HA GLN 52 HA GLN 52 -11.218 15.315 -10.840 460 HB2 GLN 52 1HB GLN 52 -13.901 14.435 -11.490 461 HB3 GLN 52 2HB GLN 52 -13.884 16.132 -11.030 462 HG2 GLN 52 1HG GLN 52 -11.716 15.509 -12.830 463 HG3 GLN 52 2HG GLN 52 -13.278 15.063 -13.515 464 HE21 GLN 52 1HE2 GLN 52 -12.231 17.720 -11.414 465 HE22 GLN 52 2HE2 GLN 52 -12.814 18.986 -12.435 466 H ARG 53 HN ARG 53 -13.514 14.406 -8.351 467 HA ARG 53 HA ARG 53 -14.061 15.337 -6.350 468 HB2 ARG 53 1HB ARG 53 -11.319 16.369 -6.870 469 HB3 ARG 53 2HB ARG 53 -12.239 17.129 -5.578 470 HG2 ARG 53 1HG ARG 53 -12.618 14.795 -4.667 471 HG3 ARG 53 2HG ARG 53 -11.386 14.261 -5.813 472 HD2 ARG 53 1HD ARG 53 -9.777 15.796 -4.813 473 HD3 ARG 53 2HD ARG 53 -11.009 16.370 -3.690 474 HE ARG 53 HE ARG 53 -10.844 13.628 -3.352 475 HH11 ARG 53 1HH1 ARG 53 -8.758 16.393 -2.997 476 HH12 ARG 53 2HH1 ARG 53 -7.817 15.683 -1.727 477 HH21 ARG 53 1HH2 ARG 53 -9.613 12.683 -1.680 478 HH22 ARG 53 2HH2 ARG 53 -8.304 13.573 -0.980 479 H HIS 54 HN HIS 54 -15.874 16.338 -7.454 480 HA HIS 54 HA HIS 54 -15.751 19.249 -7.236 481 HB2 HIS 54 1HB HIS 54 -15.378 18.666 -9.633 482 HB3 HIS 54 2HB HIS 54 -16.944 17.860 -9.645 483 HD1 HIS 54 1HD HIS 54 -16.916 19.920 -11.643 484 HD2 HIS 54 2HD HIS 54 -17.610 20.899 -7.666 485 HE1 HIS 54 1HE HIS 54 -18.080 22.148 -11.693 486 H HIS 55 HN HIS 55 -18.138 16.899 -8.451 487 HA HIS 55 HA HIS 55 -19.740 16.819 -6.162 488 HB2 HIS 55 1HB HIS 55 -21.641 18.258 -6.963 489 HB3 HIS 55 2HB HIS 55 -20.206 19.149 -6.465 490 HD1 HIS 55 1HD HIS 55 -21.445 21.022 -8.026 491 HD2 HIS 55 2HD HIS 55 -19.696 17.791 -9.965 492 HE1 HIS 55 1HE HIS 55 -21.178 21.739 -10.421 493 H GLY 56 HN GLY 56 -19.326 14.680 -7.276 494 HA2 GLY 56 2HA GLY 56 -21.496 14.166 -9.217 495 HA3 GLY 56 3HA GLY 56 -19.933 13.367 -9.312 496 H TRP 57 HN TRP 57 -22.533 13.895 -6.928 497 HA TRP 57 HA TRP 57 -22.230 11.069 -6.148 498 HB2 TRP 57 1HB TRP 57 -23.554 12.647 -4.128 499 HB3 TRP 57 2HB TRP 57 -22.090 11.677 -3.999 500 HD1 TRP 57 HD TRP 57 -19.740 12.948 -4.388 501 HE1 TRP 57 1HE TRP 57 -19.100 15.431 -4.166 502 HE3 TRP 57 3HE TRP 57 -24.422 15.000 -4.448 503 HZ2 TRP 57 2HZ TRP 57 -20.408 17.929 -4.033 504 HZ3 TRP 57 3HZ TRP 57 -24.641 17.444 -4.268 505 HH2 TRP 57 HH TRP 57 -22.674 18.876 -4.064 506 H GLY 58 HN GLY 58 -24.655 13.672 -5.806 507 HA2 GLY 58 2HA GLY 58 -26.947 13.609 -5.999 508 HA3 GLY 58 3HA GLY 58 -26.617 12.671 -7.448 509 H ARG 59 HN ARG 59 -25.607 11.424 -4.384 510 HA ARG 59 HA ARG 59 -26.139 9.464 -3.339 511 HB2 ARG 59 1HB ARG 59 -27.906 11.075 -2.549 512 HB3 ARG 59 2HB ARG 59 -28.977 10.401 -3.770 513 HG2 ARG 59 1HG ARG 59 -29.618 8.926 -2.245 514 HG3 ARG 59 2HG ARG 59 -28.022 8.188 -2.399 515 HD2 ARG 59 1HD ARG 59 -28.512 8.652 -0.069 516 HD3 ARG 59 2HD ARG 59 -27.183 9.667 -0.628 517 HE ARG 59 HE ARG 59 -29.476 11.157 -0.975 518 HH11 ARG 59 1HH1 ARG 59 -27.808 9.644 1.680 519 HH12 ARG 59 2HH1 ARG 59 -28.347 10.803 2.850 520 HH21 ARG 59 1HH2 ARG 59 -30.192 12.689 0.556 521 HH22 ARG 59 2HH2 ARG 59 -29.704 12.534 2.209 522 H LYS 60 HN LYS 60 -25.997 9.416 -6.299 523 HA LYS 60 HA LYS 60 -27.014 6.759 -6.663 524 HB2 LYS 60 1HB LYS 60 -28.538 7.167 -8.451 525 HB3 LYS 60 2HB LYS 60 -29.011 8.222 -7.125 526 HG2 LYS 60 1HG LYS 60 -27.359 9.867 -8.473 527 HG3 LYS 60 2HG LYS 60 -27.982 8.883 -9.800 528 HD2 LYS 60 1HD LYS 60 -29.721 10.259 -7.756 529 HD3 LYS 60 2HD LYS 60 -29.309 10.949 -9.328 530 HE2 LYS 60 1HE LYS 60 -30.492 8.211 -9.174 531 HE3 LYS 60 2HE LYS 60 -31.537 9.621 -9.012 532 HZ1 LYS 60 3HZ LYS 60 -29.780 9.934 -11.212 533 HZ2 LYS 60 1HZ LYS 60 -31.472 9.936 -11.190 534 HZ3 LYS 60 2HZ LYS 60 -30.630 8.479 -11.354 535 H ASN 61 HN ASN 61 -24.567 8.589 -6.884 536 HA ASN 61 HA ASN 61 -23.800 8.467 -9.644 537 HB2 ASN 61 1HB ASN 61 -21.739 9.423 -8.959 538 HB3 ASN 61 2HB ASN 61 -22.966 10.150 -7.926 539 HD21 ASN 61 1HD2 ASN 61 -23.226 7.629 -6.393 540 HD22 ASN 61 2HD2 ASN 61 -21.852 7.594 -5.346 541 H SER 62 HN SER 62 -24.565 5.988 -9.225 542 HA SER 62 HA SER 62 -22.479 4.267 -8.273 543 HB2 SER 62 1HB SER 62 -23.918 2.447 -9.205 544 HB3 SER 62 2HB SER 62 -24.774 3.520 -8.098 545 HG SER 62 HG SER 62 -25.771 2.942 -10.243 546 H LEU 63 HN LEU 63 -21.136 5.766 -9.946 547 HA LEU 63 HA LEU 63 -20.592 3.982 -12.206 548 HB2 LEU 63 1HB LEU 63 -20.067 6.206 -13.476 549 HB3 LEU 63 2HB LEU 63 -21.706 5.560 -13.423 550 HG LEU 63 HG LEU 63 -22.333 7.169 -11.736 551 HD11 LEU 63 1HD1 LEU 63 -20.587 7.598 -10.340 552 HD12 LEU 63 2HD1 LEU 63 -20.484 9.025 -11.370 553 HD13 LEU 63 3HD1 LEU 63 -19.406 7.658 -11.649 554 HD21 LEU 63 3HD2 LEU 63 -20.936 8.260 -14.160 555 HD22 LEU 63 1HD2 LEU 63 -21.822 9.299 -13.044 556 HD23 LEU 63 2HD2 LEU 63 -22.662 8.007 -13.900 557 H THR 64 HN THR 64 -19.420 4.981 -9.492 558 HA THR 64 HA THR 64 -16.828 5.972 -10.373 559 HB THR 64 HB THR 64 -16.828 5.346 -7.586 560 HG1 THR 64 1HG THR 64 -18.770 5.896 -6.963 561 HG21 THR 64 3HG2 THR 64 -15.818 7.273 -9.149 562 HG22 THR 64 1HG2 THR 64 -16.011 7.461 -7.407 563 HG23 THR 64 2HG2 THR 64 -17.214 8.136 -8.506 564 H LYS 65 HN LYS 65 -14.972 4.918 -8.873 565 HA LYS 65 HA LYS 65 -14.299 2.500 -9.987 566 HB2 LYS 65 1HB LYS 65 -12.777 2.245 -7.941 567 HB3 LYS 65 2HB LYS 65 -12.570 3.685 -8.929 568 HG2 LYS 65 1HG LYS 65 -13.606 5.060 -7.341 569 HG3 LYS 65 2HG LYS 65 -14.299 3.685 -6.478 570 HD2 LYS 65 1HD LYS 65 -11.651 3.114 -6.323 571 HD3 LYS 65 2HD LYS 65 -11.615 4.879 -6.301 572 HE2 LYS 65 1HE LYS 65 -13.660 3.684 -4.574 573 HE3 LYS 65 2HE LYS 65 -12.003 3.286 -4.120 574 HZ1 LYS 65 3HZ LYS 65 -11.534 5.720 -4.220 575 HZ2 LYS 65 1HZ LYS 65 -12.597 5.261 -2.987 576 HZ3 LYS 65 2HZ LYS 65 -13.196 5.986 -4.392 577 H GLU 66 HN GLU 66 -16.300 3.121 -7.194 578 HA GLU 66 HA GLU 66 -16.298 0.483 -6.152 579 HB2 GLU 66 1HB GLU 66 -18.509 2.514 -5.857 580 HB3 GLU 66 2HB GLU 66 -18.118 1.190 -4.770 581 HG2 GLU 66 1HG GLU 66 -16.073 2.262 -4.111 582 HG3 GLU 66 2HG GLU 66 -16.312 3.535 -5.306 583 H ALA 67 HN ALA 67 -18.487 2.216 -8.339 584 HA ALA 67 HA ALA 67 -20.357 0.122 -8.638 585 HB1 ALA 67 1HB ALA 67 -21.385 1.441 -10.220 586 HB2 ALA 67 2HB ALA 67 -20.502 2.646 -9.282 587 HB3 ALA 67 3HB ALA 67 -19.861 2.088 -10.828 588 H VAL 68 HN VAL 68 -17.724 1.193 -10.795 589 HA VAL 68 HA VAL 68 -17.990 -0.799 -12.721 590 HB VAL 68 HB VAL 68 -15.421 0.523 -11.837 591 HG11 VAL 68 1HG1 VAL 68 -15.022 -1.423 -13.230 592 HG12 VAL 68 2HG1 VAL 68 -16.173 -0.828 -14.428 593 HG13 VAL 68 3HG1 VAL 68 -14.673 0.051 -14.132 594 HG21 VAL 68 3HG2 VAL 68 -16.859 2.288 -12.374 595 HG22 VAL 68 1HG2 VAL 68 -15.960 1.999 -13.863 596 HG23 VAL 68 2HG2 VAL 68 -17.609 1.396 -13.698 597 H ALA 69 HN ALA 69 -16.066 -0.772 -9.744 598 HA ALA 69 HA ALA 69 -14.931 -3.356 -10.182 599 HB1 ALA 69 1HB ALA 69 -14.028 -1.452 -8.717 600 HB2 ALA 69 2HB ALA 69 -15.153 -2.046 -7.495 601 HB3 ALA 69 3HB ALA 69 -13.885 -3.103 -8.114 602 H LYS 70 HN LYS 70 -17.873 -2.177 -8.783 603 HA LYS 70 HA LYS 70 -18.510 -4.404 -7.166 604 HB2 LYS 70 1HB LYS 70 -19.665 -2.308 -6.854 605 HB3 LYS 70 2HB LYS 70 -20.271 -2.346 -8.505 606 HG2 LYS 70 1HG LYS 70 -21.125 -4.737 -7.325 607 HG3 LYS 70 2HG LYS 70 -21.400 -3.473 -6.124 608 HD2 LYS 70 1HD LYS 70 -22.177 -2.737 -8.853 609 HD3 LYS 70 2HD LYS 70 -23.094 -4.084 -8.176 610 HE2 LYS 70 1HE LYS 70 -24.155 -2.770 -6.694 611 HE3 LYS 70 2HE LYS 70 -22.703 -1.838 -6.334 612 HZ1 LYS 70 3HZ LYS 70 -23.041 -0.544 -8.311 613 HZ2 LYS 70 1HZ LYS 70 -24.463 -0.515 -7.396 614 HZ3 LYS 70 2HZ LYS 70 -24.363 -1.493 -8.772 615 H ILE 71 HN ILE 71 -19.442 -3.553 -10.491 616 HA ILE 71 HA ILE 71 -20.872 -5.999 -10.905 617 HB ILE 71 HB ILE 71 -19.849 -4.211 -13.097 618 HG12 ILE 71 1HG1 ILE 71 -20.898 -2.763 -11.432 619 HG13 ILE 71 2HG1 ILE 71 -21.923 -2.896 -12.857 620 HG21 ILE 71 1HG2 ILE 71 -22.530 -5.210 -13.372 621 HG22 ILE 71 2HG2 ILE 71 -21.132 -5.451 -14.419 622 HG23 ILE 71 3HG2 ILE 71 -21.408 -6.532 -13.053 623 HD11 ILE 71 3HD1 ILE 71 -22.306 -4.453 -10.311 624 HD12 ILE 71 1HD1 ILE 71 -23.179 -2.984 -10.747 625 HD13 ILE 71 2HD1 ILE 71 -23.372 -4.445 -11.717 626 H VAL 72 HN VAL 72 -17.670 -4.780 -11.774 627 HA VAL 72 HA VAL 72 -16.886 -6.925 -13.415 628 HB VAL 72 HB VAL 72 -15.359 -4.881 -11.837 629 HG11 VAL 72 1HG1 VAL 72 -13.375 -5.921 -13.259 630 HG12 VAL 72 2HG1 VAL 72 -13.755 -6.485 -11.630 631 HG13 VAL 72 3HG1 VAL 72 -14.322 -7.391 -13.034 632 HG21 VAL 72 3HG2 VAL 72 -15.723 -5.472 -14.770 633 HG22 VAL 72 1HG2 VAL 72 -16.332 -4.085 -13.867 634 HG23 VAL 72 2HG2 VAL 72 -14.600 -4.266 -14.143 635 H ASP 73 HN ASP 73 -16.567 -6.389 -9.931 636 HA ASP 73 HA ASP 73 -15.083 -8.780 -9.455 637 HB2 ASP 73 1HB ASP 73 -16.611 -6.936 -7.613 638 HB3 ASP 73 2HB ASP 73 -15.690 -8.326 -7.045 639 H ASP 74 HN ASP 74 -18.482 -7.866 -8.945 640 HA ASP 74 HA ASP 74 -19.348 -10.329 -7.923 641 HB2 ASP 74 1HB ASP 74 -20.706 -8.008 -9.235 642 HB3 ASP 74 2HB ASP 74 -21.617 -9.491 -8.964 643 H THR 75 HN THR 75 -19.098 -9.136 -11.234 644 HA THR 75 HA THR 75 -20.388 -11.357 -12.448 645 HB THR 75 HB THR 75 -18.453 -9.350 -13.620 646 HG1 THR 75 1HG THR 75 -20.165 -8.121 -13.681 647 HG21 THR 75 3HG2 THR 75 -19.978 -10.253 -15.692 648 HG22 THR 75 1HG2 THR 75 -19.750 -11.728 -14.754 649 HG23 THR 75 2HG2 THR 75 -18.349 -10.820 -15.323 650 H TYR 76 HN TYR 76 -16.995 -10.545 -11.833 651 HA TYR 76 HA TYR 76 -15.911 -12.801 -13.162 652 HB2 TYR 76 1HB TYR 76 -14.770 -10.585 -12.368 653 HB3 TYR 76 2HB TYR 76 -14.517 -11.468 -10.867 654 HD1 TYR 76 2HD TYR 76 -14.361 -12.669 -14.392 655 HD2 TYR 76 1HD TYR 76 -12.234 -11.908 -10.787 656 HE1 TYR 76 2HE TYR 76 -12.360 -13.725 -15.356 657 HE2 TYR 76 1HE TYR 76 -10.226 -12.961 -11.741 658 HH TYR 76 HH TYR 76 -9.641 -13.393 -14.768 659 H ARG 77 HN ARG 77 -16.432 -12.122 -9.703 660 HA ARG 77 HA ARG 77 -15.575 -14.594 -8.728 661 HB2 ARG 77 1HB ARG 77 -17.514 -12.555 -7.657 662 HB3 ARG 77 2HB ARG 77 -17.137 -14.027 -6.772 663 HG2 ARG 77 1HG ARG 77 -14.785 -13.399 -6.705 664 HG3 ARG 77 2HG ARG 77 -15.146 -11.934 -7.620 665 HD2 ARG 77 1HD ARG 77 -16.060 -12.652 -4.843 666 HD3 ARG 77 2HD ARG 77 -15.001 -11.326 -5.321 667 HE ARG 77 HE ARG 77 -17.260 -10.751 -6.651 668 HH11 ARG 77 1HH1 ARG 77 -16.662 -11.606 -3.329 669 HH12 ARG 77 2HH1 ARG 77 -18.000 -10.692 -2.717 670 HH21 ARG 77 1HH2 ARG 77 -19.025 -9.545 -5.857 671 HH22 ARG 77 2HH2 ARG 77 -19.344 -9.521 -4.156 672 H LYS 78 HN LYS 78 -18.821 -13.511 -9.670 673 HA LYS 78 HA LYS 78 -20.121 -15.946 -9.024 674 HB2 LYS 78 1HB LYS 78 -21.358 -13.855 -9.226 675 HB3 LYS 78 2HB LYS 78 -20.925 -13.738 -10.927 676 HG2 LYS 78 1HG LYS 78 -22.286 -16.224 -10.158 677 HG3 LYS 78 2HG LYS 78 -23.251 -14.754 -10.006 678 HD2 LYS 78 1HD LYS 78 -21.689 -15.029 -12.496 679 HD3 LYS 78 2HD LYS 78 -23.024 -16.165 -12.290 680 HE2 LYS 78 1HE LYS 78 -24.199 -13.836 -11.545 681 HE3 LYS 78 2HE LYS 78 -23.057 -13.262 -12.760 682 HZ1 LYS 78 3HZ LYS 78 -24.540 -15.619 -13.524 683 HZ2 LYS 78 1HZ LYS 78 -24.212 -14.212 -14.405 684 HZ3 LYS 78 2HZ LYS 78 -25.495 -14.241 -13.304 685 H MET 79 HN MET 79 -18.488 -14.760 -11.885 686 HA MET 79 HA MET 79 -19.438 -16.595 -13.765 687 HB2 MET 79 1HB MET 79 -17.181 -14.750 -13.536 688 HB3 MET 79 2HB MET 79 -16.813 -16.171 -14.505 689 HG2 MET 79 1HG MET 79 -18.359 -15.643 -16.118 690 HG3 MET 79 2HG MET 79 -19.336 -14.675 -15.016 691 HE1 MET 79 3HE MET 79 -16.390 -14.955 -17.347 692 HE2 MET 79 1HE MET 79 -15.619 -13.369 -17.347 693 HE3 MET 79 2HE MET 79 -15.377 -14.466 -15.988 694 H GLN 80 HN GLN 80 -16.423 -16.757 -11.861 695 HA GLN 80 HA GLN 80 -16.664 -19.470 -11.214 696 HB2 GLN 80 1HB GLN 80 -14.866 -20.387 -12.696 697 HB3 GLN 80 2HB GLN 80 -16.357 -19.978 -13.533 698 HG2 GLN 80 1HG GLN 80 -14.903 -17.663 -13.729 699 HG3 GLN 80 2HG GLN 80 -13.669 -18.915 -13.865 700 HE21 GLN 80 1HE2 GLN 80 -17.039 -18.740 -14.952 701 HE22 GLN 80 2HE2 GLN 80 -16.698 -19.050 -16.617 702 H ILE 81 HN ILE 81 -15.744 -16.805 -10.264 703 HA ILE 81 HA ILE 81 -14.201 -15.969 -8.815 704 HB ILE 81 HB ILE 81 -13.343 -18.859 -8.666 705 HG12 ILE 81 1HG1 ILE 81 -14.963 -17.174 -6.745 706 HG13 ILE 81 2HG1 ILE 81 -15.648 -18.325 -7.886 707 HG21 ILE 81 1HG2 ILE 81 -11.478 -17.496 -8.016 708 HG22 ILE 81 2HG2 ILE 81 -12.508 -16.500 -6.989 709 HG23 ILE 81 3HG2 ILE 81 -12.204 -18.185 -6.564 710 HD11 ILE 81 3HD1 ILE 81 -14.283 -18.778 -5.324 711 HD12 ILE 81 1HD1 ILE 81 -15.570 -19.693 -6.109 712 HD13 ILE 81 2HD1 ILE 81 -13.895 -19.914 -6.616 713 H GLN 82 HN GLN 82 -12.177 -18.547 -10.173 714 HA GLN 82 HA GLN 82 -10.236 -18.502 -11.356 715 HB2 GLN 82 1HB GLN 82 -11.925 -16.880 -12.733 716 HB3 GLN 82 2HB GLN 82 -10.606 -15.767 -12.398 717 HG2 GLN 82 1HG GLN 82 -9.035 -17.395 -13.395 718 HG3 GLN 82 2HG GLN 82 -10.412 -18.411 -13.820 719 HE21 GLN 82 1HE2 GLN 82 -12.183 -16.317 -14.522 720 HE22 GLN 82 2HE2 GLN 82 -11.623 -15.627 -16.003 721 H CYS 83 HN CYS 83 -8.747 -16.043 -12.032 722 HA CYS 83 HA CYS 83 -6.827 -15.906 -10.197 723 HB2 CYS 83 1HB CYS 83 -7.731 -14.177 -12.252 724 HB3 CYS 83 2HB CYS 83 -7.397 -13.171 -10.847 725 HG CYS 83 HG CYS 83 -4.780 -13.491 -10.769 726 H ALA 84 HN ALA 84 -9.575 -13.632 -10.040 727 HA ALA 84 HA ALA 84 -10.457 -12.448 -8.299 728 HB1 ALA 84 1HB ALA 84 -10.752 -13.843 -6.183 729 HB2 ALA 84 2HB ALA 84 -11.475 -14.463 -7.668 730 HB3 ALA 84 3HB ALA 84 -9.961 -15.144 -7.073 731 HA PRO 85 HA PRO 85 -6.264 -11.330 -6.634 732 HB2 PRO 85 1HB PRO 85 -6.416 -8.717 -7.355 733 HB3 PRO 85 2HB PRO 85 -5.823 -9.979 -8.440 734 HG2 PRO 85 1HG PRO 85 -8.530 -8.706 -8.315 735 HG3 PRO 85 2HG PRO 85 -7.547 -9.108 -9.735 736 HD2 PRO 85 1HD PRO 85 -9.608 -10.655 -8.906 737 HD3 PRO 85 2HD PRO 85 -8.165 -11.328 -9.693 738 H ASP 86 HN ASP 86 -9.474 -10.688 -5.974 739 HA ASP 86 HA ASP 86 -10.558 -9.955 -4.110 740 HB2 ASP 86 1HB ASP 86 -8.574 -11.130 -2.989 741 HB3 ASP 86 2HB ASP 86 -7.881 -9.522 -2.795 742 H LEU 87 HN LEU 87 -11.399 -8.086 -4.940 743 HA LEU 87 HA LEU 87 -10.311 -5.770 -5.720 744 HB2 LEU 87 1HB LEU 87 -12.325 -4.670 -4.410 745 HB3 LEU 87 2HB LEU 87 -12.572 -5.662 -5.845 746 HG LEU 87 HG LEU 87 -12.636 -7.124 -3.292 747 HD11 LEU 87 1HD1 LEU 87 -13.759 -5.200 -2.480 748 HD12 LEU 87 2HD1 LEU 87 -15.004 -6.379 -2.892 749 HD13 LEU 87 3HD1 LEU 87 -14.681 -5.025 -3.973 750 HD21 LEU 87 3HD2 LEU 87 -14.814 -7.152 -5.306 751 HD22 LEU 87 1HD2 LEU 87 -14.072 -8.482 -4.416 752 HD23 LEU 87 2HD2 LEU 87 -13.236 -7.770 -5.797 753 H ALA 88 HN ALA 88 -11.449 -6.005 -2.351 754 HA ALA 88 HA ALA 88 -9.064 -5.305 -1.099 755 HB1 ALA 88 1HB ALA 88 -9.771 -2.875 -0.526 756 HB2 ALA 88 2HB ALA 88 -8.959 -3.203 -2.057 757 HB3 ALA 88 3HB ALA 88 -10.708 -2.982 -2.016 758 H THR 89 HN THR 89 -11.388 -6.936 -0.700 759 HA THR 89 HA THR 89 -12.828 -7.611 0.932 760 HB THR 89 HB THR 89 -11.375 -5.827 2.867 761 HG1 THR 89 1HG THR 89 -10.396 -8.041 1.437 762 HG21 THR 89 3HG2 THR 89 -11.676 -8.417 3.861 763 HG22 THR 89 1HG2 THR 89 -13.183 -8.078 3.012 764 HG23 THR 89 2HG2 THR 89 -12.631 -6.999 4.293 765 H ARG 90 HN ARG 90 -13.431 -5.136 -0.566 766 HA ARG 90 HA ARG 90 -15.070 -3.561 -0.628 767 HB2 ARG 90 1HB ARG 90 -15.977 -5.511 1.304 768 HB3 ARG 90 2HB ARG 90 -16.530 -3.900 1.742 769 HG2 ARG 90 1HG ARG 90 -17.967 -3.784 0.022 770 HG3 ARG 90 2HG ARG 90 -16.864 -4.599 -1.089 771 HD2 ARG 90 1HD ARG 90 -17.644 -6.493 0.857 772 HD3 ARG 90 2HD ARG 90 -19.106 -5.661 0.327 773 HE ARG 90 HE ARG 90 -18.913 -6.694 -1.704 774 HH11 ARG 90 1HH1 ARG 90 -15.885 -6.951 -0.005 775 HH12 ARG 90 2HH1 ARG 90 -15.177 -8.027 -1.163 776 HH21 ARG 90 1HH2 ARG 90 -17.991 -8.111 -3.236 777 HH22 ARG 90 2HH2 ARG 90 -16.375 -8.686 -3.001 778 H SER 91 HN SER 91 -12.520 -3.225 0.939 779 HA SER 91 HA SER 91 -13.237 -1.352 3.028 780 HB2 SER 91 1HB SER 91 -10.502 -2.028 1.919 781 HB3 SER 91 2HB SER 91 -10.841 -1.163 3.418 782 HG SER 91 HG SER 91 -10.719 -3.111 4.226 783 H HIS 92 HN HIS 92 -11.583 -1.231 -0.116 784 HA HIS 92 HA HIS 92 -11.467 1.653 -0.072 785 HB2 HIS 92 1HB HIS 92 -10.571 -0.489 -1.954 786 HB3 HIS 92 2HB HIS 92 -10.737 1.156 -2.560 787 HD1 HIS 92 1HD HIS 92 -9.688 1.228 0.899 788 HD2 HIS 92 2HD HIS 92 -7.811 0.787 -2.782 789 HE1 HIS 92 1HE HIS 92 -7.258 1.717 1.321 790 H SER 93 HN SER 93 -13.617 -0.783 -1.224 791 HA SER 93 HA SER 93 -15.435 1.276 -2.189 792 HB2 SER 93 1HB SER 93 -14.443 -1.004 -3.909 793 HB3 SER 93 2HB SER 93 -15.898 -0.076 -4.275 794 HG SER 93 HG SER 93 -13.574 0.538 -5.080 795 H GLY 94 HN GLY 94 -17.218 0.912 -1.050 796 HA2 GLY 94 2HA GLY 94 -17.879 -1.802 -0.203 797 HA3 GLY 94 3HA GLY 94 -18.638 -0.321 0.362 798 H SER 95 HN SER 95 -20.671 -0.088 -0.251 799 HA SER 95 HA SER 95 -21.600 -0.223 -2.874 800 HB2 SER 95 1HB SER 95 -21.230 -2.791 -1.840 801 HB3 SER 95 2HB SER 95 -22.962 -2.500 -1.690 802 HG SER 95 HG SER 95 -21.423 -2.187 -4.056 803 H ASP 96 HN ASP 96 -21.834 1.259 -0.360 804 HA ASP 96 HA ASP 96 -24.771 1.243 -0.122 805 HB2 ASP 96 1HB ASP 96 -22.667 1.477 2.001 806 HB3 ASP 96 2HB ASP 96 -24.231 2.255 2.231 807 H PHE 97 HN PHE 97 -22.123 2.920 -1.166 808 HA PHE 97 HA PHE 97 -23.247 5.558 -0.566 809 HB2 PHE 97 1HB PHE 97 -20.592 4.558 -0.840 810 HB3 PHE 97 2HB PHE 97 -20.857 5.751 -2.108 811 HD1 PHE 97 2HD PHE 97 -21.850 5.448 1.480 812 HD2 PHE 97 1HD PHE 97 -20.030 7.809 -1.558 813 HE1 PHE 97 2HE PHE 97 -21.480 7.254 3.110 814 HE2 PHE 97 1HE PHE 97 -19.657 9.619 0.068 815 HZ PHE 97 HZ PHE 97 -20.384 9.343 2.405 816 H SER 98 HN SER 98 -23.925 3.348 -2.722 817 HA SER 98 HA SER 98 -25.058 5.073 -4.607 818 HB2 SER 98 1HB SER 98 -23.489 4.186 -6.551 819 HB3 SER 98 2HB SER 98 -23.073 5.638 -5.639 820 HG SER 98 HG SER 98 -22.043 3.020 -5.336 821 H PHE 99 HN PHE 99 -26.439 3.274 -3.574 822 HA PHE 99 HA PHE 99 -26.342 0.859 -5.255 823 HB2 PHE 99 1HB PHE 99 -27.748 -0.190 -3.479 824 HB3 PHE 99 2HB PHE 99 -26.159 0.312 -2.911 825 HD1 PHE 99 1HD PHE 99 -25.922 2.265 -1.450 826 HD2 PHE 99 2HD PHE 99 -29.742 0.819 -2.647 827 HE1 PHE 99 1HE PHE 99 -26.976 3.567 0.353 828 HE2 PHE 99 2HE PHE 99 -30.802 2.119 -0.847 829 HZ PHE 99 HZ PHE 99 -29.419 3.496 0.655 830 H ARG 100 HN ARG 100 -27.418 3.251 -6.272 831 HA ARG 100 HA ARG 100 -30.119 3.685 -5.996 832 HB2 ARG 100 1HB ARG 100 -30.023 4.330 -8.478 833 HB3 ARG 100 2HB ARG 100 -28.962 5.190 -7.371 834 HG2 ARG 100 1HG ARG 100 -27.147 4.522 -8.458 835 HG3 ARG 100 2HG ARG 100 -27.678 2.839 -8.451 836 HD2 ARG 100 1HD ARG 100 -27.698 3.215 -10.697 837 HD3 ARG 100 2HD ARG 100 -29.334 3.745 -10.310 838 HE ARG 100 HE ARG 100 -27.440 5.876 -10.155 839 HH11 ARG 100 1HH1 ARG 100 -29.372 3.985 -12.349 840 HH12 ARG 100 2HH1 ARG 100 -29.445 5.224 -13.558 841 HH21 ARG 100 1HH2 ARG 100 -27.529 7.515 -11.740 842 HH22 ARG 100 2HH2 ARG 100 -28.396 7.231 -13.211 843 HA PRO 101 HA PRO 101 -32.284 0.202 -7.556 844 HB2 PRO 101 1HB PRO 101 -34.408 1.372 -8.777 845 HB3 PRO 101 2HB PRO 101 -34.226 1.307 -7.020 846 HG2 PRO 101 1HG PRO 101 -33.622 3.554 -8.904 847 HG3 PRO 101 2HG PRO 101 -34.422 3.604 -7.322 848 HD2 PRO 101 1HD PRO 101 -31.820 4.273 -7.662 849 HD3 PRO 101 2HD PRO 101 -32.427 3.524 -6.171 850 H ILE 102 HN ILE 102 -33.660 -0.342 -9.726 851 HA ILE 102 HA ILE 102 -32.158 0.524 -12.080 852 HB ILE 102 HB ILE 102 -32.658 -2.407 -11.706 853 HG12 ILE 102 1HG1 ILE 102 -30.445 -0.754 -10.545 854 HG13 ILE 102 2HG1 ILE 102 -31.322 -2.101 -9.828 855 HG21 ILE 102 1HG2 ILE 102 -31.200 -2.693 -13.476 856 HG22 ILE 102 2HG2 ILE 102 -32.014 -1.190 -13.908 857 HG23 ILE 102 3HG2 ILE 102 -30.399 -1.146 -13.202 858 HD11 ILE 102 3HD1 ILE 102 -30.157 -3.495 -11.682 859 HD12 ILE 102 1HD1 ILE 102 -29.040 -2.132 -11.741 860 HD13 ILE 102 2HD1 ILE 102 -29.262 -3.025 -10.236 861 H GLU 103 HN GLU 103 -34.835 1.073 -11.191 862 HA GLU 103 HA GLU 103 -36.836 -0.488 -12.265 863 HB2 GLU 103 1HB GLU 103 -36.544 2.277 -11.431 864 HB3 GLU 103 2HB GLU 103 -37.650 2.128 -12.789 865 HG2 GLU 103 1HG GLU 103 -39.096 0.715 -11.598 866 HG3 GLU 103 2HG GLU 103 -37.895 0.410 -10.344 867 H GLU 104 HN GLU 104 -35.874 2.509 -13.907 868 HA GLU 104 HA GLU 104 -35.082 1.390 -16.337 869 HB2 GLU 104 1HB GLU 104 -37.762 0.965 -16.007 870 HB3 GLU 104 2HB GLU 104 -37.755 2.486 -16.887 871 HG2 GLU 104 1HG GLU 104 -36.062 1.216 -18.436 872 HG3 GLU 104 2HG GLU 104 -36.839 -0.208 -17.746 873 H ALA 105 HN ALA 105 -36.297 3.285 -18.104 874 HA ALA 105 HA ALA 105 -35.731 5.906 -16.985 875 HB1 ALA 105 1HB ALA 105 -33.519 5.238 -17.616 876 HB2 ALA 105 2HB ALA 105 -34.077 4.723 -19.209 877 HB3 ALA 105 3HB ALA 105 -34.091 6.434 -18.780 Start of MODEL 12 1 H1 GLY -5 HN GLY -5 4.746 -1.541 -3.728 2 HA2 GLY -5 2HA GLY -5 3.837 0.525 -4.833 3 HA3 GLY -5 3HA GLY -5 2.416 -0.449 -5.180 4 H SER -4 HN SER -4 2.773 2.054 -3.609 5 HA SER -4 HA SER -4 1.496 1.099 -1.136 6 HB2 SER -4 1HB SER -4 2.574 3.123 -0.012 7 HB3 SER -4 2HB SER -4 3.649 1.781 -0.405 8 HG SER -4 HG SER -4 4.759 3.254 -1.409 9 H HIS -3 HN HIS -3 1.924 3.776 -3.407 10 HA HIS -3 HA HIS -3 -0.835 4.606 -2.829 11 HB2 HIS -3 1HB HIS -3 1.519 6.468 -3.209 12 HB3 HIS -3 2HB HIS -3 -0.161 6.970 -3.047 13 HD1 HIS -3 1HD HIS -3 -1.222 5.764 -0.651 14 HD2 HIS -3 2HD HIS -3 2.793 6.813 -0.865 15 HE1 HIS -3 1HE HIS -3 -0.454 5.976 1.735 16 H MET -2 HN MET -2 -0.271 2.928 -4.884 17 HA MET -2 HA MET -2 -0.881 4.607 -7.187 18 HB2 MET -2 1HB MET -2 1.176 2.425 -7.456 19 HB3 MET -2 2HB MET -2 0.770 3.689 -8.609 20 HG2 MET -2 1HG MET -2 1.745 5.364 -7.146 21 HG3 MET -2 2HG MET -2 2.111 4.122 -5.950 22 HE1 MET -2 3HE MET -2 4.050 1.710 -8.179 23 HE2 MET -2 1HE MET -2 4.792 2.297 -6.691 24 HE3 MET -2 2HE MET -2 3.061 1.959 -6.739 25 H ALA -1 HN ALA -1 -2.988 3.727 -6.881 26 HA ALA -1 HA ALA -1 -3.233 0.889 -7.636 27 HB1 ALA -1 1HB ALA -1 -5.698 1.601 -6.668 28 HB2 ALA -1 2HB ALA -1 -4.441 0.759 -5.761 29 HB3 ALA -1 3HB ALA -1 -4.596 2.511 -5.634 30 H SER 1 HN SER 1 -3.712 4.059 -8.679 31 HA SER 1 HA SER 1 -6.044 4.046 -10.131 32 HB2 SER 1 1HB SER 1 -3.383 5.262 -10.906 33 HB3 SER 1 2HB SER 1 -4.925 5.659 -11.663 34 HG SER 1 HG SER 1 -4.208 6.051 -8.945 35 H ALA 2 HN ALA 2 -2.839 3.045 -11.330 36 HA ALA 2 HA ALA 2 -3.775 2.101 -13.821 37 HB1 ALA 2 1HB ALA 2 -1.547 2.393 -13.994 38 HB2 ALA 2 2HB ALA 2 -1.252 1.981 -12.305 39 HB3 ALA 2 3HB ALA 2 -1.496 0.702 -13.495 40 H ASP 3 HN ASP 3 -3.827 0.745 -10.665 41 HA ASP 3 HA ASP 3 -3.993 -2.002 -11.491 42 HB2 ASP 3 1HB ASP 3 -3.662 -0.611 -9.044 43 HB3 ASP 3 2HB ASP 3 -5.122 -1.585 -8.888 44 H LEU 4 HN LEU 4 -6.297 0.479 -10.447 45 HA LEU 4 HA LEU 4 -8.580 -1.207 -10.578 46 HB2 LEU 4 1HB LEU 4 -8.467 0.874 -9.256 47 HB3 LEU 4 2HB LEU 4 -8.425 1.799 -10.756 48 HG LEU 4 HG LEU 4 -10.727 -0.028 -10.347 49 HD11 LEU 4 1HD1 LEU 4 -11.807 1.200 -8.754 50 HD12 LEU 4 2HD1 LEU 4 -10.889 2.665 -9.099 51 HD13 LEU 4 3HD1 LEU 4 -10.145 1.355 -8.183 52 HD21 LEU 4 3HD2 LEU 4 -10.674 1.186 -12.380 53 HD22 LEU 4 1HD2 LEU 4 -10.277 2.692 -11.552 54 HD23 LEU 4 2HD2 LEU 4 -11.877 1.977 -11.359 55 H VAL 5 HN VAL 5 -7.093 1.076 -12.832 56 HA VAL 5 HA VAL 5 -9.106 0.887 -14.822 57 HB VAL 5 HB VAL 5 -6.205 1.693 -15.069 58 HG11 VAL 5 1HG1 VAL 5 -8.463 1.688 -17.032 59 HG12 VAL 5 2HG1 VAL 5 -7.185 2.901 -17.143 60 HG13 VAL 5 3HG1 VAL 5 -6.787 1.186 -17.253 61 HG21 VAL 5 3HG2 VAL 5 -7.522 3.111 -13.564 62 HG22 VAL 5 1HG2 VAL 5 -7.065 3.973 -15.033 63 HG23 VAL 5 2HG2 VAL 5 -8.709 3.364 -14.844 64 H SER 6 HN SER 6 -5.889 -0.618 -14.549 65 HA SER 6 HA SER 6 -6.057 -2.158 -16.887 66 HB2 SER 6 1HB SER 6 -4.478 -2.617 -14.347 67 HB3 SER 6 2HB SER 6 -4.253 -3.543 -15.832 68 HG SER 6 HG SER 6 -3.413 -1.809 -16.811 69 H SER 7 HN SER 7 -7.054 -2.819 -13.572 70 HA SER 7 HA SER 7 -7.726 -5.551 -14.029 71 HB2 SER 7 1HB SER 7 -7.243 -4.856 -11.778 72 HB3 SER 7 2HB SER 7 -8.497 -3.618 -11.834 73 HG SER 7 HG SER 7 -9.999 -5.100 -11.532 74 H CYS 8 HN CYS 8 -9.673 -2.588 -13.718 75 HA CYS 8 HA CYS 8 -12.167 -3.784 -14.179 76 HB2 CYS 8 1HB CYS 8 -11.135 -0.978 -14.487 77 HB3 CYS 8 2HB CYS 8 -12.781 -1.387 -14.953 78 HG CYS 8 HG CYS 8 -12.382 -0.166 -12.292 79 H LYS 9 HN LYS 9 -9.789 -2.411 -16.396 80 HA LYS 9 HA LYS 9 -11.380 -2.588 -18.730 81 HB2 LYS 9 1HB LYS 9 -9.495 -1.145 -18.799 82 HB3 LYS 9 2HB LYS 9 -8.404 -2.423 -18.281 83 HG2 LYS 9 1HG LYS 9 -9.758 -3.132 -20.730 84 HG3 LYS 9 2HG LYS 9 -8.900 -1.597 -20.883 85 HD2 LYS 9 1HD LYS 9 -7.309 -3.560 -19.476 86 HD3 LYS 9 2HD LYS 9 -7.809 -4.154 -21.061 87 HE2 LYS 9 1HE LYS 9 -6.686 -1.397 -20.762 88 HE3 LYS 9 2HE LYS 9 -5.610 -2.791 -20.838 89 HZ1 LYS 9 3HZ LYS 9 -7.449 -1.768 -22.905 90 HZ2 LYS 9 1HZ LYS 9 -6.929 -3.378 -22.935 91 HZ3 LYS 9 2HZ LYS 9 -5.800 -2.122 -23.032 92 H ASP 10 HN ASP 10 -8.740 -4.675 -17.549 93 HA ASP 10 HA ASP 10 -8.834 -6.624 -19.501 94 HB2 ASP 10 1HB ASP 10 -7.052 -6.762 -17.973 95 HB3 ASP 10 2HB ASP 10 -8.129 -6.741 -16.579 96 H LYS 11 HN LYS 11 -10.673 -6.504 -16.461 97 HA LYS 11 HA LYS 11 -12.092 -8.911 -16.903 98 HB2 LYS 11 1HB LYS 11 -12.054 -6.785 -14.937 99 HB3 LYS 11 2HB LYS 11 -13.703 -7.283 -15.292 100 HG2 LYS 11 1HG LYS 11 -13.342 -8.848 -13.742 101 HG3 LYS 11 2HG LYS 11 -12.461 -9.687 -15.022 102 HD2 LYS 11 1HD LYS 11 -10.684 -9.633 -13.676 103 HD3 LYS 11 2HD LYS 11 -10.614 -7.896 -13.981 104 HE2 LYS 11 1HE LYS 11 -11.715 -7.380 -11.999 105 HE3 LYS 11 2HE LYS 11 -12.397 -8.998 -11.843 106 HZ1 LYS 11 3HZ LYS 11 -10.743 -9.263 -10.375 107 HZ2 LYS 11 1HZ LYS 11 -9.818 -7.992 -11.001 108 HZ3 LYS 11 2HZ LYS 11 -9.775 -9.513 -11.740 109 H LEU 12 HN LEU 12 -13.206 -5.527 -17.138 110 HA LEU 12 HA LEU 12 -15.713 -5.960 -18.170 111 HB2 LEU 12 1HB LEU 12 -15.062 -3.766 -17.542 112 HB3 LEU 12 2HB LEU 12 -13.743 -3.754 -18.711 113 HG LEU 12 HG LEU 12 -16.076 -4.116 -20.217 114 HD11 LEU 12 1HD1 LEU 12 -17.665 -3.363 -18.789 115 HD12 LEU 12 2HD1 LEU 12 -17.100 -1.802 -19.384 116 HD13 LEU 12 3HD1 LEU 12 -16.521 -2.416 -17.836 117 HD21 LEU 12 3HD2 LEU 12 -14.225 -1.805 -19.715 118 HD22 LEU 12 1HD2 LEU 12 -15.548 -1.711 -20.878 119 HD23 LEU 12 2HD2 LEU 12 -14.268 -2.905 -21.094 120 H ALA 13 HN ALA 13 -12.646 -5.786 -19.929 121 HA ALA 13 HA ALA 13 -13.767 -6.015 -22.520 122 HB1 ALA 13 1HB ALA 13 -11.411 -5.241 -21.827 123 HB2 ALA 13 2HB ALA 13 -11.007 -6.958 -21.834 124 HB3 ALA 13 3HB ALA 13 -11.585 -6.182 -23.309 125 H TYR 14 HN TYR 14 -12.598 -8.377 -20.175 126 HA TYR 14 HA TYR 14 -12.854 -10.613 -21.941 127 HB2 TYR 14 1HB TYR 14 -11.293 -10.620 -20.032 128 HB3 TYR 14 2HB TYR 14 -12.657 -10.548 -18.922 129 HD1 TYR 14 1HD TYR 14 -11.302 -12.643 -21.700 130 HD2 TYR 14 2HD TYR 14 -13.517 -12.524 -18.069 131 HE1 TYR 14 1HE TYR 14 -11.421 -15.100 -21.699 132 HE2 TYR 14 2HE TYR 14 -13.641 -14.980 -18.057 133 HH TYR 14 HH TYR 14 -11.744 -16.927 -20.085 134 H PHE 15 HN PHE 15 -15.027 -8.797 -20.037 135 HA PHE 15 HA PHE 15 -16.987 -10.943 -19.850 136 HB2 PHE 15 1HB PHE 15 -17.129 -8.060 -18.943 137 HB3 PHE 15 2HB PHE 15 -18.351 -9.286 -18.627 138 HD1 PHE 15 2HD PHE 15 -16.346 -11.553 -18.106 139 HD2 PHE 15 1HD PHE 15 -16.639 -7.555 -16.674 140 HE1 PHE 15 2HE PHE 15 -15.159 -12.205 -16.051 141 HE2 PHE 15 1HE PHE 15 -15.452 -8.201 -14.618 142 HZ PHE 15 HZ PHE 15 -14.712 -10.529 -14.304 143 H ARG 16 HN ARG 16 -18.933 -10.988 -20.932 144 HA ARG 16 HA ARG 16 -18.991 -9.842 -23.517 145 HB2 ARG 16 1HB ARG 16 -20.182 -11.977 -22.468 146 HB3 ARG 16 2HB ARG 16 -21.504 -10.835 -22.264 147 HG2 ARG 16 1HG ARG 16 -22.012 -10.871 -24.432 148 HG3 ARG 16 2HG ARG 16 -20.321 -10.738 -24.920 149 HD2 ARG 16 1HD ARG 16 -21.708 -13.261 -24.019 150 HD3 ARG 16 2HD ARG 16 -21.326 -12.836 -25.687 151 HE ARG 16 HE ARG 16 -19.018 -12.834 -24.000 152 HH11 ARG 16 1HH1 ARG 16 -21.162 -14.863 -25.846 153 HH12 ARG 16 2HH1 ARG 16 -19.984 -16.108 -26.091 154 HH21 ARG 16 1HH2 ARG 16 -17.458 -14.467 -24.316 155 HH22 ARG 16 2HH2 ARG 16 -17.877 -15.883 -25.219 156 H ILE 17 HN ILE 17 -21.202 -8.762 -24.220 157 HA ILE 17 HA ILE 17 -21.190 -6.143 -23.409 158 HB ILE 17 HB ILE 17 -23.665 -7.588 -24.355 159 HG12 ILE 17 1HG1 ILE 17 -21.130 -7.015 -25.702 160 HG13 ILE 17 2HG1 ILE 17 -22.432 -8.103 -26.171 161 HG21 ILE 17 1HG2 ILE 17 -24.383 -5.470 -25.183 162 HG22 ILE 17 2HG2 ILE 17 -23.908 -5.251 -23.499 163 HG23 ILE 17 3HG2 ILE 17 -22.831 -4.728 -24.793 164 HD11 ILE 17 3HD1 ILE 17 -22.204 -6.472 -27.873 165 HD12 ILE 17 1HD1 ILE 17 -23.685 -6.104 -26.990 166 HD13 ILE 17 2HD1 ILE 17 -22.227 -5.155 -26.701 167 H LYS 18 HN LYS 18 -22.706 -8.854 -21.865 168 HA LYS 18 HA LYS 18 -24.684 -7.711 -20.340 169 HB2 LYS 18 1HB LYS 18 -23.383 -10.157 -20.399 170 HB3 LYS 18 2HB LYS 18 -23.054 -9.559 -18.778 171 HG2 LYS 18 1HG LYS 18 -25.831 -9.579 -19.903 172 HG3 LYS 18 2HG LYS 18 -25.131 -11.003 -19.131 173 HD2 LYS 18 1HD LYS 18 -26.019 -10.096 -17.264 174 HD3 LYS 18 2HD LYS 18 -24.549 -9.119 -17.288 175 HE2 LYS 18 1HE LYS 18 -26.337 -7.606 -16.980 176 HE3 LYS 18 2HE LYS 18 -25.842 -7.440 -18.664 177 HZ1 LYS 18 3HZ LYS 18 -27.884 -9.417 -18.286 178 HZ2 LYS 18 1HZ LYS 18 -27.823 -8.122 -19.373 179 HZ3 LYS 18 2HZ LYS 18 -28.375 -7.875 -17.794 180 H GLU 19 HN GLU 19 -21.225 -7.925 -19.531 181 HA GLU 19 HA GLU 19 -21.374 -6.609 -17.061 182 HB2 GLU 19 1HB GLU 19 -19.407 -7.873 -17.696 183 HB3 GLU 19 2HB GLU 19 -19.097 -6.783 -19.040 184 HG2 GLU 19 1HG GLU 19 -17.599 -6.024 -17.486 185 HG3 GLU 19 2HG GLU 19 -18.976 -4.967 -17.181 186 H LEU 20 HN LEU 20 -20.323 -5.288 -20.206 187 HA LEU 20 HA LEU 20 -20.101 -2.631 -19.418 188 HB2 LEU 20 1HB LEU 20 -20.888 -3.733 -22.111 189 HB3 LEU 20 2HB LEU 20 -20.358 -2.080 -21.806 190 HG LEU 20 HG LEU 20 -18.285 -3.587 -20.801 191 HD11 LEU 20 1HD1 LEU 20 -18.006 -5.509 -21.896 192 HD12 LEU 20 2HD1 LEU 20 -18.492 -4.804 -23.437 193 HD13 LEU 20 3HD1 LEU 20 -19.717 -5.382 -22.308 194 HD21 LEU 20 3HD2 LEU 20 -17.369 -3.002 -23.243 195 HD22 LEU 20 1HD2 LEU 20 -17.591 -1.785 -21.986 196 HD23 LEU 20 2HD2 LEU 20 -18.817 -1.994 -23.236 197 H LYS 21 HN LYS 21 -22.915 -4.505 -20.283 198 HA LYS 21 HA LYS 21 -24.707 -2.357 -20.702 199 HB2 LYS 21 1HB LYS 21 -25.084 -4.745 -21.384 200 HB3 LYS 21 2HB LYS 21 -25.383 -5.124 -19.693 201 HG2 LYS 21 1HG LYS 21 -27.500 -4.530 -19.914 202 HG3 LYS 21 2HG LYS 21 -27.014 -2.910 -20.419 203 HD2 LYS 21 1HD LYS 21 -27.099 -5.261 -22.299 204 HD3 LYS 21 2HD LYS 21 -28.473 -4.184 -22.043 205 HE2 LYS 21 1HE LYS 21 -27.360 -2.353 -22.971 206 HE3 LYS 21 2HE LYS 21 -25.776 -3.106 -22.787 207 HZ1 LYS 21 3HZ LYS 21 -26.991 -4.839 -24.414 208 HZ2 LYS 21 1HZ LYS 21 -26.044 -3.546 -24.957 209 HZ3 LYS 21 2HZ LYS 21 -27.728 -3.398 -24.907 210 H ASP 22 HN ASP 22 -24.072 -4.381 -17.845 211 HA ASP 22 HA ASP 22 -25.895 -3.126 -16.126 212 HB2 ASP 22 1HB ASP 22 -24.224 -5.266 -15.916 213 HB3 ASP 22 2HB ASP 22 -23.403 -4.099 -14.884 214 H ILE 23 HN ILE 23 -22.504 -2.422 -16.832 215 HA ILE 23 HA ILE 23 -22.149 -0.423 -14.877 216 HB ILE 23 HB ILE 23 -20.744 -0.740 -17.532 217 HG12 ILE 23 1HG1 ILE 23 -20.003 -1.698 -14.759 218 HG13 ILE 23 2HG1 ILE 23 -20.539 -2.715 -16.092 219 HG21 ILE 23 1HG2 ILE 23 -19.664 1.142 -17.077 220 HG22 ILE 23 2HG2 ILE 23 -20.623 1.348 -15.612 221 HG23 ILE 23 3HG2 ILE 23 -19.104 0.454 -15.553 222 HD11 ILE 23 3HD1 ILE 23 -18.345 -1.214 -17.025 223 HD12 ILE 23 1HD1 ILE 23 -17.911 -1.853 -15.441 224 HD13 ILE 23 2HD1 ILE 23 -18.437 -2.948 -16.720 225 H LEU 24 HN LEU 24 -22.703 -0.077 -18.387 226 HA LEU 24 HA LEU 24 -23.028 2.696 -18.391 227 HB2 LEU 24 1HB LEU 24 -23.673 2.493 -20.583 228 HB3 LEU 24 2HB LEU 24 -22.786 0.990 -20.336 229 HG LEU 24 HG LEU 24 -25.200 0.060 -19.800 230 HD11 LEU 24 1HD1 LEU 24 -25.674 2.609 -21.272 231 HD12 LEU 24 2HD1 LEU 24 -26.596 1.877 -19.959 232 HD13 LEU 24 3HD1 LEU 24 -26.707 1.216 -21.591 233 HD21 LEU 24 3HD2 LEU 24 -25.360 -0.673 -22.099 234 HD22 LEU 24 1HD2 LEU 24 -23.673 -0.695 -21.583 235 HD23 LEU 24 2HD2 LEU 24 -24.263 0.609 -22.614 236 H ASN 25 HN ASN 25 -25.289 0.118 -17.687 237 HA ASN 25 HA ASN 25 -27.665 1.636 -17.831 238 HB2 ASN 25 1HB ASN 25 -28.238 -0.563 -17.763 239 HB3 ASN 25 2HB ASN 25 -26.864 -0.997 -16.750 240 HD21 ASN 25 1HD2 ASN 25 -27.025 -0.736 -14.500 241 HD22 ASN 25 2HD2 ASN 25 -28.562 -0.645 -13.715 242 H GLN 26 HN GLN 26 -25.486 0.873 -15.140 243 HA GLN 26 HA GLN 26 -27.013 2.212 -13.161 244 HB2 GLN 26 1HB GLN 26 -24.176 1.239 -13.311 245 HB3 GLN 26 2HB GLN 26 -24.725 2.190 -11.938 246 HG2 GLN 26 1HG GLN 26 -26.278 0.550 -11.287 247 HG3 GLN 26 2HG GLN 26 -26.138 -0.302 -12.824 248 HE21 GLN 26 1HE2 GLN 26 -23.579 -0.687 -13.235 249 HE22 GLN 26 2HE2 GLN 26 -22.836 -1.571 -11.951 250 H LEU 27 HN LEU 27 -24.532 3.229 -15.405 251 HA LEU 27 HA LEU 27 -23.984 5.734 -14.169 252 HB2 LEU 27 1HB LEU 27 -22.291 5.057 -15.572 253 HB3 LEU 27 2HB LEU 27 -23.405 4.486 -16.812 254 HG LEU 27 HG LEU 27 -23.890 6.844 -17.400 255 HD11 LEU 27 1HD1 LEU 27 -21.497 7.794 -15.961 256 HD12 LEU 27 2HD1 LEU 27 -22.932 7.499 -14.982 257 HD13 LEU 27 3HD1 LEU 27 -23.006 8.626 -16.335 258 HD21 LEU 27 3HD2 LEU 27 -22.013 5.357 -18.389 259 HD22 LEU 27 1HD2 LEU 27 -20.927 6.450 -17.531 260 HD23 LEU 27 2HD2 LEU 27 -22.028 7.083 -18.755 261 H GLY 28 HN GLY 28 -26.557 4.568 -16.091 262 HA2 GLY 28 2HA GLY 28 -28.586 5.870 -16.203 263 HA3 GLY 28 3HA GLY 28 -27.596 7.317 -16.317 264 H LEU 29 HN LEU 29 -26.877 4.431 -18.146 265 HA LEU 29 HA LEU 29 -26.658 4.109 -20.393 266 HB2 LEU 29 1HB LEU 29 -29.288 5.572 -20.504 267 HB3 LEU 29 2HB LEU 29 -28.660 4.427 -21.687 268 HG LEU 29 HG LEU 29 -28.787 3.100 -19.181 269 HD11 LEU 29 1HD1 LEU 29 -31.353 4.496 -19.929 270 HD12 LEU 29 2HD1 LEU 29 -30.383 4.813 -18.490 271 HD13 LEU 29 3HD1 LEU 29 -31.170 3.248 -18.695 272 HD21 LEU 29 3HD2 LEU 29 -28.945 1.871 -21.174 273 HD22 LEU 29 1HD2 LEU 29 -30.237 2.893 -21.804 274 HD23 LEU 29 2HD2 LEU 29 -30.559 1.791 -20.465 275 HA PRO 30 HA PRO 30 -25.035 8.340 -21.205 276 HB2 PRO 30 1HB PRO 30 -22.629 7.469 -22.112 277 HB3 PRO 30 2HB PRO 30 -22.977 7.716 -20.396 278 HG2 PRO 30 1HG PRO 30 -22.977 5.177 -21.983 279 HG3 PRO 30 2HG PRO 30 -22.328 5.483 -20.361 280 HD2 PRO 30 1HD PRO 30 -24.718 4.276 -20.772 281 HD3 PRO 30 2HD PRO 30 -24.399 5.310 -19.364 282 H LYS 31 HN LYS 31 -26.677 6.449 -22.915 283 HA LYS 31 HA LYS 31 -27.110 6.001 -25.125 284 HB2 LYS 31 1HB LYS 31 -27.410 7.970 -26.421 285 HB3 LYS 31 2HB LYS 31 -27.707 8.428 -24.749 286 HG2 LYS 31 1HG LYS 31 -24.939 8.770 -25.688 287 HG3 LYS 31 2HG LYS 31 -26.144 9.818 -26.439 288 HD2 LYS 31 1HD LYS 31 -26.637 10.890 -24.469 289 HD3 LYS 31 2HD LYS 31 -26.163 9.511 -23.475 290 HE2 LYS 31 1HE LYS 31 -24.012 10.168 -23.370 291 HE3 LYS 31 2HE LYS 31 -23.991 10.707 -25.049 292 HZ1 LYS 31 3HZ LYS 31 -25.287 12.216 -22.847 293 HZ2 LYS 31 1HZ LYS 31 -25.029 12.744 -24.434 294 HZ3 LYS 31 2HZ LYS 31 -23.714 12.514 -23.395 295 H GLN 32 HN GLN 32 -24.413 5.312 -24.314 296 HA GLN 32 HA GLN 32 -22.479 6.122 -26.175 297 HB2 GLN 32 1HB GLN 32 -22.790 3.768 -24.360 298 HB3 GLN 32 2HB GLN 32 -21.517 3.743 -25.573 299 HG2 GLN 32 1HG GLN 32 -21.878 5.886 -23.491 300 HG3 GLN 32 2HG GLN 32 -20.745 4.540 -23.382 301 HE21 GLN 32 1HE2 GLN 32 -21.460 7.575 -24.882 302 HE22 GLN 32 2HE2 GLN 32 -19.924 7.801 -25.640 303 H GLY 33 HN GLY 33 -21.393 4.070 -27.470 304 HA2 GLY 33 2HA GLY 33 -23.479 3.356 -29.423 305 HA3 GLY 33 3HA GLY 33 -21.762 3.494 -29.774 306 H LYS 34 HN LYS 34 -20.669 1.659 -29.950 307 HA LYS 34 HA LYS 34 -21.931 -0.811 -29.017 308 HB2 LYS 34 1HB LYS 34 -19.468 -0.613 -30.740 309 HB3 LYS 34 2HB LYS 34 -20.575 -1.969 -30.576 310 HG2 LYS 34 1HG LYS 34 -21.421 -1.222 -32.505 311 HG3 LYS 34 2HG LYS 34 -22.249 -0.040 -31.488 312 HD2 LYS 34 1HD LYS 34 -19.722 1.046 -31.926 313 HD3 LYS 34 2HD LYS 34 -20.190 0.357 -33.483 314 HE2 LYS 34 1HE LYS 34 -22.261 1.902 -32.046 315 HE3 LYS 34 2HE LYS 34 -20.895 2.821 -32.678 316 HZ1 LYS 34 3HZ LYS 34 -21.936 2.787 -34.621 317 HZ2 LYS 34 1HZ LYS 34 -23.094 1.680 -34.075 318 HZ3 LYS 34 2HZ LYS 34 -21.627 1.126 -34.710 319 H LYS 35 HN LYS 35 -19.893 -2.517 -28.683 320 HA LYS 35 HA LYS 35 -19.029 -2.132 -26.097 321 HB2 LYS 35 1HB LYS 35 -18.734 -4.107 -28.047 322 HB3 LYS 35 2HB LYS 35 -17.087 -3.663 -27.617 323 HG2 LYS 35 1HG LYS 35 -17.604 -5.405 -26.167 324 HG3 LYS 35 2HG LYS 35 -17.841 -3.955 -25.189 325 HD2 LYS 35 1HD LYS 35 -20.142 -5.132 -26.694 326 HD3 LYS 35 2HD LYS 35 -19.633 -5.849 -25.163 327 HE2 LYS 35 1HE LYS 35 -21.013 -4.338 -24.243 328 HE3 LYS 35 2HE LYS 35 -19.695 -3.203 -24.531 329 HZ1 LYS 35 3HZ LYS 35 -22.260 -3.067 -25.538 330 HZ2 LYS 35 1HZ LYS 35 -21.288 -3.492 -26.857 331 HZ3 LYS 35 2HZ LYS 35 -20.943 -2.095 -25.968 332 H GLN 36 HN GLN 36 -17.670 -0.907 -29.045 333 HA GLN 36 HA GLN 36 -15.077 -0.305 -28.089 334 HB2 GLN 36 1HB GLN 36 -16.586 0.097 -30.494 335 HB3 GLN 36 2HB GLN 36 -15.800 1.606 -30.049 336 HG2 GLN 36 1HG GLN 36 -14.442 -1.055 -30.421 337 HG3 GLN 36 2HG GLN 36 -14.415 0.297 -31.552 338 HE21 GLN 36 1HE2 GLN 36 -13.299 -0.895 -28.477 339 HE22 GLN 36 2HE2 GLN 36 -12.036 0.263 -28.260 340 H ASP 37 HN ASP 37 -17.993 1.708 -28.427 341 HA ASP 37 HA ASP 37 -16.849 4.023 -27.272 342 HB2 ASP 37 1HB ASP 37 -19.396 3.235 -28.344 343 HB3 ASP 37 2HB ASP 37 -19.638 4.076 -26.815 344 H LEU 38 HN LEU 38 -18.927 1.472 -25.934 345 HA LEU 38 HA LEU 38 -19.220 2.491 -23.362 346 HB2 LEU 38 1HB LEU 38 -19.108 -0.352 -24.343 347 HB3 LEU 38 2HB LEU 38 -19.537 0.090 -22.692 348 HG LEU 38 HG LEU 38 -21.066 0.823 -25.188 349 HD11 LEU 38 1HD1 LEU 38 -22.340 -0.749 -23.069 350 HD12 LEU 38 2HD1 LEU 38 -21.034 -1.578 -23.915 351 HD13 LEU 38 3HD1 LEU 38 -22.404 -0.936 -24.822 352 HD21 LEU 38 3HD2 LEU 38 -21.165 2.571 -23.460 353 HD22 LEU 38 1HD2 LEU 38 -21.716 1.368 -22.293 354 HD23 LEU 38 2HD2 LEU 38 -22.720 1.768 -23.687 355 H ILE 39 HN ILE 39 -16.852 0.065 -24.476 356 HA ILE 39 HA ILE 39 -15.406 -0.200 -22.137 357 HB ILE 39 HB ILE 39 -14.781 -0.603 -25.007 358 HG12 ILE 39 1HG1 ILE 39 -13.860 -2.581 -23.086 359 HG13 ILE 39 2HG1 ILE 39 -15.554 -2.174 -22.837 360 HG21 ILE 39 1HG2 ILE 39 -12.416 -1.276 -24.294 361 HG22 ILE 39 2HG2 ILE 39 -12.752 0.442 -24.504 362 HG23 ILE 39 3HG2 ILE 39 -12.691 -0.252 -22.885 363 HD11 ILE 39 3HD1 ILE 39 -14.927 -4.110 -24.422 364 HD12 ILE 39 1HD1 ILE 39 -16.182 -2.970 -24.907 365 HD13 ILE 39 2HD1 ILE 39 -14.554 -2.825 -25.571 366 H ASP 40 HN ASP 40 -14.686 1.997 -24.852 367 HA ASP 40 HA ASP 40 -12.500 3.285 -23.702 368 HB2 ASP 40 1HB ASP 40 -13.502 3.431 -26.110 369 HB3 ASP 40 2HB ASP 40 -14.426 4.778 -25.452 370 H ARG 41 HN ARG 41 -15.930 3.771 -23.239 371 HA ARG 41 HA ARG 41 -15.720 6.283 -21.911 372 HB2 ARG 41 1HB ARG 41 -17.814 4.456 -22.679 373 HB3 ARG 41 2HB ARG 41 -18.056 4.990 -21.021 374 HG2 ARG 41 1HG ARG 41 -17.734 6.764 -23.433 375 HG3 ARG 41 2HG ARG 41 -19.235 6.431 -22.567 376 HD2 ARG 41 1HD ARG 41 -17.474 7.281 -20.597 377 HD3 ARG 41 2HD ARG 41 -17.131 8.331 -21.971 378 HE ARG 41 HE ARG 41 -19.885 8.249 -21.700 379 HH11 ARG 41 1HH1 ARG 41 -17.143 9.277 -19.818 380 HH12 ARG 41 2HH1 ARG 41 -18.016 10.521 -18.986 381 HH21 ARG 41 1HH2 ARG 41 -21.045 9.884 -20.611 382 HH22 ARG 41 2HH2 ARG 41 -20.235 10.865 -19.437 383 H VAL 42 HN VAL 42 -16.054 2.932 -20.784 384 HA VAL 42 HA VAL 42 -16.206 3.431 -18.048 385 HB VAL 42 HB VAL 42 -15.021 1.074 -19.513 386 HG11 VAL 42 1HG1 VAL 42 -15.538 1.485 -16.578 387 HG12 VAL 42 2HG1 VAL 42 -15.383 -0.113 -17.310 388 HG13 VAL 42 3HG1 VAL 42 -14.031 1.019 -17.365 389 HG21 VAL 42 3HG2 VAL 42 -17.245 0.955 -20.007 390 HG22 VAL 42 1HG2 VAL 42 -17.256 0.126 -18.451 391 HG23 VAL 42 2HG2 VAL 42 -17.730 1.821 -18.549 392 H LEU 43 HN LEU 43 -13.305 2.534 -19.925 393 HA LEU 43 HA LEU 43 -11.460 2.869 -17.860 394 HB2 LEU 43 1HB LEU 43 -10.823 3.460 -20.730 395 HB3 LEU 43 2HB LEU 43 -9.780 2.761 -19.493 396 HG LEU 43 HG LEU 43 -11.982 1.442 -21.054 397 HD11 LEU 43 1HD1 LEU 43 -10.242 -0.145 -21.611 398 HD12 LEU 43 2HD1 LEU 43 -9.102 0.697 -20.561 399 HD13 LEU 43 3HD1 LEU 43 -9.717 1.491 -22.010 400 HD21 LEU 43 3HD2 LEU 43 -11.388 -0.566 -19.560 401 HD22 LEU 43 1HD2 LEU 43 -12.483 0.658 -18.919 402 HD23 LEU 43 2HD2 LEU 43 -10.791 0.642 -18.421 403 H ALA 44 HN ALA 44 -12.693 5.181 -20.231 404 HA ALA 44 HA ALA 44 -10.975 7.315 -19.502 405 HB1 ALA 44 1HB ALA 44 -13.698 7.484 -20.787 406 HB2 ALA 44 2HB ALA 44 -12.437 8.718 -20.810 407 HB3 ALA 44 3HB ALA 44 -12.189 7.188 -21.652 408 H LEU 45 HN LEU 45 -13.848 6.014 -18.108 409 HA LEU 45 HA LEU 45 -14.543 8.387 -16.629 410 HB2 LEU 45 1HB LEU 45 -16.481 7.317 -16.564 411 HB3 LEU 45 2HB LEU 45 -15.733 5.858 -17.209 412 HG LEU 45 HG LEU 45 -15.061 5.352 -14.792 413 HD11 LEU 45 1HD1 LEU 45 -15.891 7.841 -14.254 414 HD12 LEU 45 2HD1 LEU 45 -15.898 6.540 -13.063 415 HD13 LEU 45 3HD1 LEU 45 -17.381 6.958 -13.921 416 HD21 LEU 45 3HD2 LEU 45 -16.928 4.307 -16.179 417 HD22 LEU 45 1HD2 LEU 45 -18.025 5.356 -15.280 418 HD23 LEU 45 2HD2 LEU 45 -17.049 4.161 -14.424 419 H LEU 46 HN LEU 46 -13.036 5.259 -15.903 420 HA LEU 46 HA LEU 46 -12.566 5.977 -13.148 421 HB2 LEU 46 1HB LEU 46 -11.255 3.680 -14.544 422 HB3 LEU 46 2HB LEU 46 -11.741 3.824 -12.856 423 HG LEU 46 HG LEU 46 -13.712 3.613 -15.123 424 HD11 LEU 46 1HD1 LEU 46 -13.592 1.373 -15.130 425 HD12 LEU 46 2HD1 LEU 46 -13.290 1.279 -13.396 426 HD13 LEU 46 3HD1 LEU 46 -11.965 1.634 -14.504 427 HD21 LEU 46 3HD2 LEU 46 -14.491 2.615 -12.524 428 HD22 LEU 46 1HD2 LEU 46 -15.283 3.802 -13.561 429 HD23 LEU 46 2HD2 LEU 46 -14.011 4.311 -12.451 430 H THR 47 HN THR 47 -11.084 6.706 -16.043 431 HA THR 47 HA THR 47 -8.449 7.040 -14.770 432 HB THR 47 HB THR 47 -9.110 6.989 -17.721 433 HG1 THR 47 1HG THR 47 -8.738 4.908 -17.603 434 HG21 THR 47 3HG2 THR 47 -6.856 8.007 -16.325 435 HG22 THR 47 1HG2 THR 47 -7.086 7.851 -18.066 436 HG23 THR 47 2HG2 THR 47 -6.360 6.530 -17.151 437 H ASP 48 HN ASP 48 -10.401 8.639 -17.297 438 HA ASP 48 HA ASP 48 -9.173 11.183 -16.761 439 HB2 ASP 48 1HB ASP 48 -10.834 10.031 -18.823 440 HB3 ASP 48 2HB ASP 48 -11.473 11.595 -18.324 441 H GLU 49 HN GLU 49 -11.633 9.446 -15.311 442 HA GLU 49 HA GLU 49 -12.673 11.888 -14.049 443 HB2 GLU 49 1HB GLU 49 -14.146 9.971 -15.632 444 HB3 GLU 49 2HB GLU 49 -14.765 10.019 -13.988 445 HG2 GLU 49 1HG GLU 49 -14.346 12.688 -14.871 446 HG3 GLU 49 2HG GLU 49 -15.255 11.819 -16.106 447 H GLN 50 HN GLN 50 -10.684 9.741 -13.337 448 HA GLN 50 HA GLN 50 -11.673 8.015 -11.391 449 HB2 GLN 50 1HB GLN 50 -9.448 7.689 -10.712 450 HB3 GLN 50 2HB GLN 50 -9.328 8.115 -12.414 451 HG2 GLN 50 1HG GLN 50 -9.134 10.299 -10.416 452 HG3 GLN 50 2HG GLN 50 -7.768 9.197 -10.582 453 HE21 GLN 50 1HE2 GLN 50 -9.753 11.567 -12.198 454 HE22 GLN 50 2HE2 GLN 50 -8.656 11.895 -13.491 455 H GLY 51 HN GLY 51 -11.322 11.421 -11.324 456 HA2 GLY 51 2HA GLY 51 -12.750 12.303 -9.388 457 HA3 GLY 51 3HA GLY 51 -11.580 11.455 -8.388 458 H GLN 52 HN GLN 52 -9.424 12.200 -10.357 459 HA GLN 52 HA GLN 52 -7.772 13.768 -10.424 460 HB2 GLN 52 1HB GLN 52 -10.239 15.019 -11.238 461 HB3 GLN 52 2HB GLN 52 -9.187 16.196 -10.464 462 HG2 GLN 52 1HG GLN 52 -8.195 14.381 -12.632 463 HG3 GLN 52 2HG GLN 52 -9.003 15.907 -12.988 464 HE21 GLN 52 1HE2 GLN 52 -8.069 17.652 -11.255 465 HE22 GLN 52 2HE2 GLN 52 -6.352 17.812 -11.359 466 H ARG 53 HN ARG 53 -8.969 13.039 -7.777 467 HA ARG 53 HA ARG 53 -8.658 13.571 -5.588 468 HB2 ARG 53 1HB ARG 53 -6.861 15.830 -6.421 469 HB3 ARG 53 2HB ARG 53 -6.761 14.815 -4.989 470 HG2 ARG 53 1HG ARG 53 -6.478 13.008 -7.037 471 HG3 ARG 53 2HG ARG 53 -5.623 14.431 -7.636 472 HD2 ARG 53 1HD ARG 53 -3.891 13.790 -6.395 473 HD3 ARG 53 2HD ARG 53 -4.847 14.218 -4.977 474 HE ARG 53 HE ARG 53 -5.484 11.602 -5.843 475 HH11 ARG 53 1HH1 ARG 53 -2.993 13.424 -4.231 476 HH12 ARG 53 2HH1 ARG 53 -2.413 12.071 -3.318 477 HH21 ARG 53 1HH2 ARG 53 -4.729 9.813 -4.646 478 HH22 ARG 53 2HH2 ARG 53 -3.400 10.017 -3.555 479 H HIS 54 HN HIS 54 -10.876 14.681 -6.883 480 HA HIS 54 HA HIS 54 -11.224 17.138 -5.309 481 HB2 HIS 54 1HB HIS 54 -10.867 17.608 -7.779 482 HB3 HIS 54 2HB HIS 54 -12.397 16.785 -8.068 483 HD1 HIS 54 1HD HIS 54 -14.253 17.915 -6.058 484 HD2 HIS 54 2HD HIS 54 -11.375 20.250 -7.935 485 HE1 HIS 54 1HE HIS 54 -15.080 20.282 -5.868 486 H HIS 55 HN HIS 55 -13.244 15.145 -7.468 487 HA HIS 55 HA HIS 55 -14.929 14.425 -5.189 488 HB2 HIS 55 1HB HIS 55 -16.979 15.035 -6.398 489 HB3 HIS 55 2HB HIS 55 -15.957 16.443 -6.125 490 HD1 HIS 55 1HD HIS 55 -14.420 17.103 -8.302 491 HD2 HIS 55 2HD HIS 55 -17.770 14.738 -8.972 492 HE1 HIS 55 1HE HIS 55 -14.903 17.302 -10.762 493 H GLY 56 HN GLY 56 -16.935 13.098 -6.411 494 HA2 GLY 56 2HA GLY 56 -17.128 11.517 -8.361 495 HA3 GLY 56 3HA GLY 56 -15.501 11.010 -7.932 496 H TRP 57 HN TRP 57 -18.066 11.755 -5.641 497 HA TRP 57 HA TRP 57 -18.057 8.919 -4.841 498 HB2 TRP 57 1HB TRP 57 -19.054 10.674 -2.779 499 HB3 TRP 57 2HB TRP 57 -17.701 9.547 -2.724 500 HD1 TRP 57 HD TRP 57 -15.257 10.535 -3.289 501 HE1 TRP 57 1HE TRP 57 -14.330 12.934 -3.184 502 HE3 TRP 57 3HE TRP 57 -19.674 13.105 -3.125 503 HZ2 TRP 57 2HZ TRP 57 -15.338 15.567 -3.050 504 HZ3 TRP 57 3HZ TRP 57 -19.605 15.562 -3.009 505 HH2 TRP 57 HH TRP 57 -17.481 16.766 -2.972 506 H GLY 58 HN GLY 58 -20.147 11.793 -4.453 507 HA2 GLY 58 2HA GLY 58 -22.433 12.007 -4.540 508 HA3 GLY 58 3HA GLY 58 -22.322 10.905 -5.904 509 H ARG 59 HN ARG 59 -21.312 9.937 -2.715 510 HA ARG 59 HA ARG 59 -21.977 8.141 -1.458 511 HB2 ARG 59 1HB ARG 59 -23.453 9.922 -0.640 512 HB3 ARG 59 2HB ARG 59 -24.638 9.516 -1.874 513 HG2 ARG 59 1HG ARG 59 -25.494 7.869 -0.651 514 HG3 ARG 59 2HG ARG 59 -23.900 7.224 -0.255 515 HD2 ARG 59 1HD ARG 59 -25.172 7.968 1.733 516 HD3 ARG 59 2HD ARG 59 -23.643 8.821 1.527 517 HE ARG 59 HE ARG 59 -25.461 10.420 0.288 518 HH11 ARG 59 1HH1 ARG 59 -25.209 9.021 3.466 519 HH12 ARG 59 2HH1 ARG 59 -26.056 10.317 4.246 520 HH21 ARG 59 1HH2 ARG 59 -26.576 12.132 1.303 521 HH22 ARG 59 2HH2 ARG 59 -26.833 12.085 3.014 522 H LYS 60 HN LYS 60 -21.477 6.895 -3.557 523 HA LYS 60 HA LYS 60 -21.938 5.122 -4.905 524 HB2 LYS 60 1HB LYS 60 -23.988 4.919 -2.760 525 HB3 LYS 60 2HB LYS 60 -24.226 3.932 -4.196 526 HG2 LYS 60 1HG LYS 60 -21.535 3.868 -2.979 527 HG3 LYS 60 2HG LYS 60 -22.843 3.110 -2.068 528 HD2 LYS 60 1HD LYS 60 -21.953 1.395 -3.410 529 HD3 LYS 60 2HD LYS 60 -23.432 1.899 -4.231 530 HE2 LYS 60 1HE LYS 60 -22.217 3.126 -5.855 531 HE3 LYS 60 2HE LYS 60 -20.720 2.997 -4.933 532 HZ1 LYS 60 3HZ LYS 60 -20.603 1.450 -6.703 533 HZ2 LYS 60 1HZ LYS 60 -22.141 0.828 -6.371 534 HZ3 LYS 60 2HZ LYS 60 -20.865 0.547 -5.297 535 H ASN 61 HN ASN 61 -22.317 7.006 -6.445 536 HA ASN 61 HA ASN 61 -25.072 7.422 -7.236 537 HB2 ASN 61 1HB ASN 61 -23.758 8.689 -9.165 538 HB3 ASN 61 2HB ASN 61 -23.939 9.394 -7.561 539 HD21 ASN 61 1HD2 ASN 61 -21.824 6.762 -8.569 540 HD22 ASN 61 2HD2 ASN 61 -20.342 7.572 -8.203 541 H SER 62 HN SER 62 -23.273 4.852 -7.571 542 HA SER 62 HA SER 62 -23.003 3.168 -9.088 543 HB2 SER 62 1HB SER 62 -25.685 3.780 -8.885 544 HB3 SER 62 2HB SER 62 -25.418 3.784 -10.628 545 HG SER 62 HG SER 62 -24.397 1.683 -9.069 546 H LEU 63 HN LEU 63 -21.597 5.436 -9.815 547 HA LEU 63 HA LEU 63 -21.373 5.025 -12.663 548 HB2 LEU 63 1HB LEU 63 -21.459 7.478 -13.146 549 HB3 LEU 63 2HB LEU 63 -23.007 6.734 -12.749 550 HG LEU 63 HG LEU 63 -22.571 7.627 -10.366 551 HD11 LEU 63 1HD1 LEU 63 -21.266 9.835 -10.557 552 HD12 LEU 63 2HD1 LEU 63 -20.525 9.104 -11.980 553 HD13 LEU 63 3HD1 LEU 63 -20.355 8.332 -10.404 554 HD21 LEU 63 3HD2 LEU 63 -23.248 9.376 -12.721 555 HD22 LEU 63 1HD2 LEU 63 -23.465 9.874 -11.043 556 HD23 LEU 63 2HD2 LEU 63 -24.357 8.490 -11.674 557 H THR 64 HN THR 64 -19.835 4.804 -10.078 558 HA THR 64 HA THR 64 -17.438 6.247 -10.997 559 HB THR 64 HB THR 64 -16.918 6.039 -8.357 560 HG1 THR 64 1HG THR 64 -18.838 5.397 -7.570 561 HG21 THR 64 3HG2 THR 64 -18.240 8.456 -8.465 562 HG22 THR 64 1HG2 THR 64 -17.852 8.135 -10.155 563 HG23 THR 64 2HG2 THR 64 -16.568 8.172 -8.947 564 H LYS 65 HN LYS 65 -15.481 5.279 -9.575 565 HA LYS 65 HA LYS 65 -14.882 2.798 -10.583 566 HB2 LYS 65 1HB LYS 65 -13.891 4.121 -8.056 567 HB3 LYS 65 2HB LYS 65 -13.186 2.653 -8.719 568 HG2 LYS 65 1HG LYS 65 -12.229 3.741 -10.487 569 HG3 LYS 65 2HG LYS 65 -13.436 5.029 -10.489 570 HD2 LYS 65 1HD LYS 65 -11.422 4.687 -8.279 571 HD3 LYS 65 2HD LYS 65 -11.109 5.668 -9.712 572 HE2 LYS 65 1HE LYS 65 -12.721 7.233 -9.149 573 HE3 LYS 65 2HE LYS 65 -13.594 6.108 -8.109 574 HZ1 LYS 65 3HZ LYS 65 -11.796 8.012 -7.306 575 HZ2 LYS 65 1HZ LYS 65 -10.940 6.558 -7.176 576 HZ3 LYS 65 2HZ LYS 65 -12.410 6.750 -6.362 577 H GLU 66 HN GLU 66 -16.697 3.586 -7.706 578 HA GLU 66 HA GLU 66 -16.609 1.103 -6.410 579 HB2 GLU 66 1HB GLU 66 -18.921 3.048 -6.428 580 HB3 GLU 66 2HB GLU 66 -18.580 1.830 -5.207 581 HG2 GLU 66 1HG GLU 66 -16.658 2.995 -4.456 582 HG3 GLU 66 2HG GLU 66 -16.710 4.096 -5.831 583 H ALA 67 HN ALA 67 -19.014 2.396 -8.694 584 HA ALA 67 HA ALA 67 -20.588 0.050 -8.793 585 HB1 ALA 67 1HB ALA 67 -21.938 1.291 -10.060 586 HB2 ALA 67 2HB ALA 67 -20.811 2.617 -9.773 587 HB3 ALA 67 3HB ALA 67 -20.662 1.633 -11.229 588 H VAL 68 HN VAL 68 -18.145 1.329 -11.052 589 HA VAL 68 HA VAL 68 -18.210 -0.741 -12.909 590 HB VAL 68 HB VAL 68 -15.782 0.863 -12.096 591 HG11 VAL 68 1HG1 VAL 68 -16.003 -1.285 -13.856 592 HG12 VAL 68 2HG1 VAL 68 -15.987 0.148 -14.885 593 HG13 VAL 68 3HG1 VAL 68 -14.671 -0.136 -13.744 594 HG21 VAL 68 3HG2 VAL 68 -16.474 2.263 -14.100 595 HG22 VAL 68 1HG2 VAL 68 -18.039 1.458 -13.991 596 HG23 VAL 68 2HG2 VAL 68 -17.454 2.434 -12.644 597 H ALA 69 HN ALA 69 -16.203 -0.395 -9.999 598 HA ALA 69 HA ALA 69 -14.848 -2.878 -10.362 599 HB1 ALA 69 1HB ALA 69 -15.142 -1.213 -7.864 600 HB2 ALA 69 2HB ALA 69 -13.974 -2.510 -8.122 601 HB3 ALA 69 3HB ALA 69 -13.876 -1.031 -9.078 602 H LYS 70 HN LYS 70 -17.849 -1.926 -8.911 603 HA LYS 70 HA LYS 70 -18.225 -4.127 -7.184 604 HB2 LYS 70 1HB LYS 70 -19.583 -2.158 -6.923 605 HB3 LYS 70 2HB LYS 70 -20.201 -2.306 -8.563 606 HG2 LYS 70 1HG LYS 70 -21.283 -4.439 -7.908 607 HG3 LYS 70 2HG LYS 70 -20.755 -4.150 -6.249 608 HD2 LYS 70 1HD LYS 70 -22.438 -2.201 -7.813 609 HD3 LYS 70 2HD LYS 70 -23.122 -3.458 -6.779 610 HE2 LYS 70 1HE LYS 70 -21.040 -1.680 -5.624 611 HE3 LYS 70 2HE LYS 70 -22.646 -1.004 -5.891 612 HZ1 LYS 70 3HZ LYS 70 -21.761 -2.828 -3.881 613 HZ2 LYS 70 1HZ LYS 70 -23.112 -3.421 -4.708 614 HZ3 LYS 70 2HZ LYS 70 -23.180 -1.911 -3.950 615 H ILE 71 HN ILE 71 -19.354 -3.532 -10.506 616 HA ILE 71 HA ILE 71 -20.544 -6.111 -10.776 617 HB ILE 71 HB ILE 71 -19.692 -4.348 -13.062 618 HG12 ILE 71 1HG1 ILE 71 -20.891 -2.936 -11.478 619 HG13 ILE 71 2HG1 ILE 71 -21.905 -3.256 -12.880 620 HG21 ILE 71 1HG2 ILE 71 -20.827 -5.777 -14.326 621 HG22 ILE 71 2HG2 ILE 71 -21.008 -6.812 -12.910 622 HG23 ILE 71 3HG2 ILE 71 -22.253 -5.626 -13.300 623 HD11 ILE 71 3HD1 ILE 71 -23.165 -3.371 -10.800 624 HD12 ILE 71 1HD1 ILE 71 -23.136 -4.929 -11.625 625 HD13 ILE 71 2HD1 ILE 71 -22.101 -4.653 -10.223 626 H VAL 72 HN VAL 72 -17.460 -4.686 -11.753 627 HA VAL 72 HA VAL 72 -16.523 -6.867 -13.271 628 HB VAL 72 HB VAL 72 -15.062 -4.672 -11.813 629 HG11 VAL 72 1HG1 VAL 72 -14.017 -7.121 -13.032 630 HG12 VAL 72 2HG1 VAL 72 -13.264 -5.637 -13.620 631 HG13 VAL 72 3HG1 VAL 72 -13.260 -6.005 -11.895 632 HG21 VAL 72 3HG2 VAL 72 -14.780 -3.696 -13.962 633 HG22 VAL 72 1HG2 VAL 72 -15.369 -5.149 -14.770 634 HG23 VAL 72 2HG2 VAL 72 -16.478 -4.152 -13.829 635 H ASP 73 HN ASP 73 -16.303 -6.094 -9.838 636 HA ASP 73 HA ASP 73 -14.525 -8.223 -9.186 637 HB2 ASP 73 1HB ASP 73 -16.318 -6.431 -7.564 638 HB3 ASP 73 2HB ASP 73 -15.429 -7.754 -6.815 639 H ASP 74 HN ASP 74 -18.040 -7.799 -8.862 640 HA ASP 74 HA ASP 74 -18.542 -10.350 -7.765 641 HB2 ASP 74 1HB ASP 74 -20.232 -8.274 -9.114 642 HB3 ASP 74 2HB ASP 74 -20.912 -9.861 -8.765 643 H THR 75 HN THR 75 -18.600 -9.138 -11.091 644 HA THR 75 HA THR 75 -19.561 -11.475 -12.317 645 HB THR 75 HB THR 75 -17.753 -9.332 -13.451 646 HG1 THR 75 1HG THR 75 -19.980 -8.894 -14.459 647 HG21 THR 75 3HG2 THR 75 -17.635 -11.397 -14.769 648 HG22 THR 75 1HG2 THR 75 -18.485 -10.125 -15.647 649 HG23 THR 75 2HG2 THR 75 -19.395 -11.427 -14.880 650 H TYR 76 HN TYR 76 -16.226 -10.335 -11.820 651 HA TYR 76 HA TYR 76 -15.010 -12.614 -12.991 652 HB2 TYR 76 1HB TYR 76 -14.080 -10.192 -12.346 653 HB3 TYR 76 2HB TYR 76 -13.545 -11.066 -10.915 654 HD1 TYR 76 2HD TYR 76 -13.743 -12.244 -14.442 655 HD2 TYR 76 1HD TYR 76 -11.230 -11.221 -11.164 656 HE1 TYR 76 2HE TYR 76 -11.791 -13.076 -15.686 657 HE2 TYR 76 1HE TYR 76 -9.272 -12.049 -12.400 658 HH TYR 76 HH TYR 76 -8.983 -12.380 -15.381 659 H ARG 77 HN ARG 77 -15.588 -11.664 -9.615 660 HA ARG 77 HA ARG 77 -14.386 -13.805 -8.339 661 HB2 ARG 77 1HB ARG 77 -15.105 -12.060 -6.952 662 HB3 ARG 77 2HB ARG 77 -16.729 -12.070 -7.625 663 HG2 ARG 77 1HG ARG 77 -16.379 -14.605 -6.510 664 HG3 ARG 77 2HG ARG 77 -15.683 -13.473 -5.348 665 HD2 ARG 77 1HD ARG 77 -18.144 -13.982 -5.072 666 HD3 ARG 77 2HD ARG 77 -17.708 -12.275 -5.155 667 HE ARG 77 HE ARG 77 -18.331 -13.157 -7.737 668 HH11 ARG 77 1HH1 ARG 77 -19.889 -12.599 -4.674 669 HH12 ARG 77 2HH1 ARG 77 -21.432 -12.238 -5.376 670 HH21 ARG 77 1HH2 ARG 77 -20.356 -12.684 -8.673 671 HH22 ARG 77 2HH2 ARG 77 -21.696 -12.288 -7.651 672 H LYS 78 HN LYS 78 -17.669 -13.550 -9.643 673 HA LYS 78 HA LYS 78 -18.377 -16.217 -8.823 674 HB2 LYS 78 1HB LYS 78 -20.167 -14.661 -8.909 675 HB3 LYS 78 2HB LYS 78 -19.732 -14.137 -10.531 676 HG2 LYS 78 1HG LYS 78 -20.581 -16.077 -11.514 677 HG3 LYS 78 2HG LYS 78 -20.604 -16.950 -9.980 678 HD2 LYS 78 1HD LYS 78 -22.585 -16.056 -9.352 679 HD3 LYS 78 2HD LYS 78 -22.232 -14.492 -10.089 680 HE2 LYS 78 1HE LYS 78 -23.130 -15.079 -12.087 681 HE3 LYS 78 2HE LYS 78 -22.635 -16.764 -11.936 682 HZ1 LYS 78 3HZ LYS 78 -24.576 -17.326 -11.017 683 HZ2 LYS 78 1HZ LYS 78 -25.155 -15.865 -11.643 684 HZ3 LYS 78 2HZ LYS 78 -24.641 -15.951 -10.034 685 H MET 79 HN MET 79 -16.958 -14.726 -11.604 686 HA MET 79 HA MET 79 -17.581 -16.616 -13.574 687 HB2 MET 79 1HB MET 79 -16.571 -14.446 -14.087 688 HB3 MET 79 2HB MET 79 -15.088 -14.931 -13.276 689 HG2 MET 79 1HG MET 79 -14.550 -15.283 -15.474 690 HG3 MET 79 2HG MET 79 -15.105 -16.883 -14.987 691 HE1 MET 79 3HE MET 79 -15.321 -14.050 -17.341 692 HE2 MET 79 1HE MET 79 -16.925 -14.093 -18.073 693 HE3 MET 79 2HE MET 79 -16.718 -13.454 -16.443 694 H GLN 80 HN GLN 80 -14.642 -16.379 -11.564 695 HA GLN 80 HA GLN 80 -14.486 -19.181 -11.161 696 HB2 GLN 80 1HB GLN 80 -13.519 -18.382 -13.635 697 HB3 GLN 80 2HB GLN 80 -12.072 -18.494 -12.642 698 HG2 GLN 80 1HG GLN 80 -12.193 -20.736 -12.473 699 HG3 GLN 80 2HG GLN 80 -13.955 -20.748 -12.432 700 HE21 GLN 80 1HE2 GLN 80 -14.775 -19.693 -14.677 701 HE22 GLN 80 2HE2 GLN 80 -14.163 -20.529 -16.060 702 H ILE 81 HN ILE 81 -14.330 -16.668 -9.695 703 HA ILE 81 HA ILE 81 -11.866 -17.232 -8.234 704 HB ILE 81 HB ILE 81 -12.602 -14.394 -8.934 705 HG12 ILE 81 1HG1 ILE 81 -10.703 -16.308 -10.279 706 HG13 ILE 81 2HG1 ILE 81 -11.965 -15.324 -11.013 707 HG21 ILE 81 1HG2 ILE 81 -10.732 -13.743 -7.792 708 HG22 ILE 81 2HG2 ILE 81 -11.179 -15.168 -6.855 709 HG23 ILE 81 3HG2 ILE 81 -9.898 -15.273 -8.063 710 HD11 ILE 81 3HD1 ILE 81 -9.309 -14.431 -9.941 711 HD12 ILE 81 1HD1 ILE 81 -9.912 -14.332 -11.595 712 HD13 ILE 81 2HD1 ILE 81 -10.610 -13.310 -10.339 713 H GLN 82 HN GLN 82 -14.115 -18.104 -7.249 714 HA GLN 82 HA GLN 82 -15.779 -16.370 -5.834 715 HB2 GLN 82 1HB GLN 82 -14.996 -19.124 -4.890 716 HB3 GLN 82 2HB GLN 82 -16.508 -18.274 -4.598 717 HG2 GLN 82 1HG GLN 82 -17.393 -19.205 -6.392 718 HG3 GLN 82 2HG GLN 82 -16.146 -18.475 -7.402 719 HE21 GLN 82 1HE2 GLN 82 -13.911 -19.796 -6.476 720 HE22 GLN 82 2HE2 GLN 82 -14.026 -21.469 -6.888 721 H CYS 83 HN CYS 83 -12.522 -17.239 -5.272 722 HA CYS 83 HA CYS 83 -12.225 -17.104 -2.540 723 HB2 CYS 83 1HB CYS 83 -10.429 -17.548 -4.267 724 HB3 CYS 83 2HB CYS 83 -10.323 -15.806 -4.494 725 HG CYS 83 HG CYS 83 -10.051 -16.058 -1.351 726 H ALA 84 HN ALA 84 -12.961 -14.548 -4.770 727 HA ALA 84 HA ALA 84 -13.557 -12.372 -4.465 728 HB1 ALA 84 1HB ALA 84 -13.615 -12.435 -1.535 729 HB2 ALA 84 2HB ALA 84 -14.864 -11.963 -2.688 730 HB3 ALA 84 3HB ALA 84 -14.605 -13.668 -2.317 731 HA PRO 85 HA PRO 85 -9.238 -11.190 -3.569 732 HB2 PRO 85 1HB PRO 85 -9.113 -9.353 -5.565 733 HB3 PRO 85 2HB PRO 85 -8.846 -11.080 -5.830 734 HG2 PRO 85 1HG PRO 85 -11.309 -9.449 -6.312 735 HG3 PRO 85 2HG PRO 85 -10.581 -10.703 -7.332 736 HD2 PRO 85 1HD PRO 85 -12.716 -11.181 -5.737 737 HD3 PRO 85 2HD PRO 85 -11.494 -12.419 -6.093 738 H ASP 86 HN ASP 86 -12.232 -9.619 -3.414 739 HA ASP 86 HA ASP 86 -12.981 -7.728 -2.394 740 HB2 ASP 86 1HB ASP 86 -11.687 -8.810 -0.514 741 HB3 ASP 86 2HB ASP 86 -10.343 -7.747 -0.923 742 H LEU 87 HN LEU 87 -11.511 -7.445 -4.866 743 HA LEU 87 HA LEU 87 -10.558 -5.865 -6.201 744 HB2 LEU 87 1HB LEU 87 -12.648 -4.734 -5.435 745 HB3 LEU 87 2HB LEU 87 -11.698 -3.944 -4.179 746 HG LEU 87 HG LEU 87 -10.335 -2.883 -5.987 747 HD11 LEU 87 1HD1 LEU 87 -11.145 -2.885 -8.247 748 HD12 LEU 87 2HD1 LEU 87 -12.523 -3.890 -7.798 749 HD13 LEU 87 3HD1 LEU 87 -10.890 -4.554 -7.734 750 HD21 LEU 87 3HD2 LEU 87 -12.134 -1.276 -6.652 751 HD22 LEU 87 1HD2 LEU 87 -12.025 -1.582 -4.918 752 HD23 LEU 87 2HD2 LEU 87 -13.298 -2.347 -5.870 753 H ALA 88 HN ALA 88 -8.595 -6.910 -4.875 754 HA ALA 88 HA ALA 88 -6.522 -6.629 -3.967 755 HB1 ALA 88 1HB ALA 88 -6.757 -4.937 -6.055 756 HB2 ALA 88 2HB ALA 88 -6.340 -3.803 -4.770 757 HB3 ALA 88 3HB ALA 88 -5.272 -5.160 -5.129 758 H THR 89 HN THR 89 -8.498 -6.301 -2.086 759 HA THR 89 HA THR 89 -8.805 -5.571 0.049 760 HB THR 89 HB THR 89 -6.227 -4.032 -0.092 761 HG1 THR 89 1HG THR 89 -6.612 -6.836 -0.052 762 HG21 THR 89 3HG2 THR 89 -8.046 -4.963 1.971 763 HG22 THR 89 1HG2 THR 89 -6.753 -3.768 2.066 764 HG23 THR 89 2HG2 THR 89 -6.387 -5.482 2.265 765 H ARG 90 HN ARG 90 -9.737 -4.010 -2.225 766 HA ARG 90 HA ARG 90 -10.819 -2.049 -2.622 767 HB2 ARG 90 1HB ARG 90 -10.738 -2.298 0.262 768 HB3 ARG 90 2HB ARG 90 -10.692 -0.610 -0.227 769 HG2 ARG 90 1HG ARG 90 -12.709 -2.427 -1.455 770 HG3 ARG 90 2HG ARG 90 -12.967 -1.816 0.181 771 HD2 ARG 90 1HD ARG 90 -13.784 0.045 -0.720 772 HD3 ARG 90 2HD ARG 90 -12.163 0.398 -1.319 773 HE ARG 90 HE ARG 90 -12.877 -0.119 -3.426 774 HH11 ARG 90 1HH1 ARG 90 -15.128 -1.435 -1.119 775 HH12 ARG 90 2HH1 ARG 90 -16.270 -1.935 -2.323 776 HH21 ARG 90 1HH2 ARG 90 -14.372 -0.772 -5.020 777 HH22 ARG 90 2HH2 ARG 90 -15.838 -1.558 -4.541 778 H SER 91 HN SER 91 -7.827 -2.306 -2.713 779 HA SER 91 HA SER 91 -6.020 -1.013 -3.203 780 HB2 SER 91 1HB SER 91 -7.230 0.054 -4.908 781 HB3 SER 91 2HB SER 91 -8.290 0.880 -3.766 782 HG SER 91 HG SER 91 -6.809 2.385 -3.450 783 H HIS 92 HN HIS 92 -5.367 -1.225 -0.967 784 HA HIS 92 HA HIS 92 -4.674 -0.446 1.061 785 HB2 HIS 92 1HB HIS 92 -4.624 2.167 -0.465 786 HB3 HIS 92 2HB HIS 92 -3.813 1.870 1.071 787 HD1 HIS 92 1HD HIS 92 -1.645 0.489 1.019 788 HD2 HIS 92 2HD HIS 92 -3.394 1.011 -2.713 789 HE1 HIS 92 1HE HIS 92 0.091 -0.245 -0.645 790 H SER 93 HN SER 93 -7.020 -0.941 1.642 791 HA SER 93 HA SER 93 -8.039 1.318 3.138 792 HB2 SER 93 1HB SER 93 -9.151 0.798 0.631 793 HB3 SER 93 2HB SER 93 -10.276 0.061 1.772 794 HG SER 93 HG SER 93 -9.609 2.734 1.398 795 H GLY 94 HN GLY 94 -8.741 0.658 5.069 796 HA2 GLY 94 2HA GLY 94 -8.683 -2.116 5.747 797 HA3 GLY 94 3HA GLY 94 -9.147 -0.795 6.810 798 H SER 95 HN SER 95 -11.344 0.060 6.578 799 HA SER 95 HA SER 95 -13.356 -1.173 5.081 800 HB2 SER 95 1HB SER 95 -14.472 -2.434 7.000 801 HB3 SER 95 2HB SER 95 -13.049 -3.195 6.289 802 HG SER 95 HG SER 95 -12.101 -3.053 8.151 803 H ASP 96 HN ASP 96 -12.455 1.394 6.194 804 HA ASP 96 HA ASP 96 -14.994 2.208 7.444 805 HB2 ASP 96 1HB ASP 96 -12.184 2.906 8.219 806 HB3 ASP 96 2HB ASP 96 -13.483 4.058 8.517 807 H PHE 97 HN PHE 97 -13.051 2.448 4.802 808 HA PHE 97 HA PHE 97 -13.786 5.232 4.230 809 HB2 PHE 97 1HB PHE 97 -11.448 3.696 3.709 810 HB3 PHE 97 2HB PHE 97 -12.175 4.107 2.159 811 HD1 PHE 97 2HD PHE 97 -12.642 6.524 1.645 812 HD2 PHE 97 1HD PHE 97 -10.271 5.289 4.958 813 HE1 PHE 97 2HE PHE 97 -11.671 8.781 1.788 814 HE2 PHE 97 1HE PHE 97 -9.298 7.544 5.107 815 HZ PHE 97 HZ PHE 97 -9.997 9.293 3.520 816 H SER 98 HN SER 98 -15.257 2.445 3.959 817 HA SER 98 HA SER 98 -17.017 3.210 1.925 818 HB2 SER 98 1HB SER 98 -16.339 1.172 0.383 819 HB3 SER 98 2HB SER 98 -15.565 2.744 0.189 820 HG SER 98 HG SER 98 -13.763 1.995 1.122 821 H PHE 99 HN PHE 99 -17.797 2.476 4.229 822 HA PHE 99 HA PHE 99 -18.092 -0.337 4.640 823 HB2 PHE 99 1HB PHE 99 -18.112 1.468 6.436 824 HB3 PHE 99 2HB PHE 99 -19.754 1.833 5.916 825 HD1 PHE 99 1HD PHE 99 -17.983 -1.411 6.379 826 HD2 PHE 99 2HD PHE 99 -21.184 1.126 7.576 827 HE1 PHE 99 1HE PHE 99 -18.838 -3.189 7.849 828 HE2 PHE 99 2HE PHE 99 -22.043 -0.647 9.049 829 HZ PHE 99 HZ PHE 99 -20.870 -2.808 9.188 830 H ARG 100 HN ARG 100 -18.940 -0.814 2.469 831 HA ARG 100 HA ARG 100 -21.853 -0.803 2.517 832 HB2 ARG 100 1HB ARG 100 -20.916 1.187 1.151 833 HB3 ARG 100 2HB ARG 100 -20.458 -0.033 -0.031 834 HG2 ARG 100 1HG ARG 100 -22.547 0.851 -0.707 835 HG3 ARG 100 2HG ARG 100 -22.852 -0.766 -0.068 836 HD2 ARG 100 1HD ARG 100 -23.033 1.048 2.095 837 HD3 ARG 100 2HD ARG 100 -23.958 1.732 0.759 838 HE ARG 100 HE ARG 100 -24.588 -0.631 2.280 839 HH11 ARG 100 1HH1 ARG 100 -25.078 1.087 -0.707 840 HH12 ARG 100 2HH1 ARG 100 -26.589 0.315 -1.056 841 HH21 ARG 100 1HH2 ARG 100 -26.577 -1.655 1.833 842 HH22 ARG 100 2HH2 ARG 100 -27.441 -1.244 0.391 843 HA PRO 101 HA PRO 101 -20.236 -4.917 1.354 844 HB2 PRO 101 1HB PRO 101 -22.288 -6.272 2.503 845 HB3 PRO 101 2HB PRO 101 -20.880 -5.709 3.412 846 HG2 PRO 101 1HG PRO 101 -23.600 -4.480 3.178 847 HG3 PRO 101 2HG PRO 101 -22.581 -4.676 4.616 848 HD2 PRO 101 1HD PRO 101 -22.772 -2.332 3.273 849 HD3 PRO 101 2HD PRO 101 -21.286 -2.839 4.102 850 H ILE 102 HN ILE 102 -21.799 -6.871 0.555 851 HA ILE 102 HA ILE 102 -23.845 -5.811 -1.247 852 HB ILE 102 HB ILE 102 -21.825 -7.733 -2.350 853 HG12 ILE 102 1HG1 ILE 102 -21.563 -4.765 -2.029 854 HG13 ILE 102 2HG1 ILE 102 -20.341 -6.018 -1.840 855 HG21 ILE 102 1HG2 ILE 102 -24.139 -7.114 -3.365 856 HG22 ILE 102 2HG2 ILE 102 -23.317 -5.638 -3.868 857 HG23 ILE 102 3HG2 ILE 102 -22.723 -7.207 -4.410 858 HD11 ILE 102 3HD1 ILE 102 -21.416 -4.816 -4.362 859 HD12 ILE 102 1HD1 ILE 102 -19.750 -4.888 -3.790 860 HD13 ILE 102 2HD1 ILE 102 -20.552 -6.353 -4.358 861 H GLU 103 HN GLU 103 -24.004 -7.402 1.146 862 HA GLU 103 HA GLU 103 -24.228 -10.127 0.797 863 HB2 GLU 103 1HB GLU 103 -25.780 -10.126 2.660 864 HB3 GLU 103 2HB GLU 103 -24.493 -8.967 2.961 865 HG2 GLU 103 1HG GLU 103 -26.315 -7.365 1.794 866 HG3 GLU 103 2HG GLU 103 -27.375 -8.541 2.569 867 H GLU 104 HN GLU 104 -26.364 -7.592 -0.293 868 HA GLU 104 HA GLU 104 -28.161 -7.594 -1.688 869 HB2 GLU 104 1HB GLU 104 -26.558 -9.158 -2.956 870 HB3 GLU 104 2HB GLU 104 -27.559 -10.468 -2.345 871 HG2 GLU 104 1HG GLU 104 -29.298 -8.542 -3.449 872 HG3 GLU 104 2HG GLU 104 -27.985 -8.786 -4.599 873 H ALA 105 HN ALA 105 -29.531 -7.448 0.172 874 HA ALA 105 HA ALA 105 -31.303 -9.759 0.407 875 HB1 ALA 105 1HB ALA 105 -31.357 -9.631 2.839 876 HB2 ALA 105 2HB ALA 105 -29.726 -9.981 2.264 877 HB3 ALA 105 3HB ALA 105 -30.140 -8.355 2.810 Start of MODEL 13 1 H1 GLY -5 HN GLY -5 2.785 -0.940 -3.514 2 HA2 GLY -5 2HA GLY -5 1.014 -0.009 -1.393 3 HA3 GLY -5 3HA GLY -5 2.453 -0.878 -0.879 4 H SER -4 HN SER -4 2.438 1.168 -3.707 5 HA SER -4 HA SER -4 4.156 3.074 -2.258 6 HB2 SER -4 1HB SER -4 4.239 2.144 -5.130 7 HB3 SER -4 2HB SER -4 5.118 3.562 -4.560 8 HG SER -4 HG SER -4 6.371 2.288 -3.294 9 H HIS -3 HN HIS -3 1.249 3.167 -2.473 10 HA HIS -3 HA HIS -3 -0.402 4.691 -2.826 11 HB2 HIS -3 1HB HIS -3 1.877 6.588 -3.426 12 HB3 HIS -3 2HB HIS -3 0.224 7.042 -3.022 13 HD1 HIS -3 1HD HIS -3 3.393 6.876 -1.512 14 HD2 HIS -3 2HD HIS -3 -0.426 5.790 -0.289 15 HE1 HIS -3 1HE HIS -3 3.495 6.771 0.998 16 H MET -2 HN MET -2 -0.002 3.017 -4.916 17 HA MET -2 HA MET -2 -0.755 4.706 -7.171 18 HB2 MET -2 1HB MET -2 1.218 2.478 -7.605 19 HB3 MET -2 2HB MET -2 0.779 3.780 -8.702 20 HG2 MET -2 1HG MET -2 1.796 5.327 -6.909 21 HG3 MET -2 2HG MET -2 2.553 3.857 -6.299 22 HE1 MET -2 3HE MET -2 2.879 2.318 -9.188 23 HE2 MET -2 1HE MET -2 4.571 2.706 -9.501 24 HE3 MET -2 2HE MET -2 4.056 2.261 -7.874 25 H ALA -1 HN ALA -1 -2.851 3.867 -6.708 26 HA ALA -1 HA ALA -1 -3.208 1.020 -7.372 27 HB1 ALA -1 1HB ALA -1 -5.606 2.133 -6.340 28 HB2 ALA -1 2HB ALA -1 -4.560 0.909 -5.618 29 HB3 ALA -1 3HB ALA -1 -4.279 2.618 -5.285 30 H SER 1 HN SER 1 -3.738 4.202 -8.464 31 HA SER 1 HA SER 1 -6.084 4.087 -9.897 32 HB2 SER 1 1HB SER 1 -5.123 5.791 -11.372 33 HB3 SER 1 2HB SER 1 -4.690 6.114 -9.693 34 HG SER 1 HG SER 1 -2.674 4.991 -10.187 35 H ALA 2 HN ALA 2 -2.844 3.170 -11.062 36 HA ALA 2 HA ALA 2 -3.714 2.222 -13.575 37 HB1 ALA 2 1HB ALA 2 -1.280 2.678 -12.395 38 HB2 ALA 2 2HB ALA 2 -1.318 0.921 -12.544 39 HB3 ALA 2 3HB ALA 2 -1.535 1.932 -13.973 40 H ASP 3 HN ASP 3 -3.794 0.845 -10.424 41 HA ASP 3 HA ASP 3 -3.921 -1.896 -11.276 42 HB2 ASP 3 1HB ASP 3 -3.553 -0.562 -8.834 43 HB3 ASP 3 2HB ASP 3 -5.074 -1.434 -8.665 44 H LEU 4 HN LEU 4 -6.257 0.556 -10.243 45 HA LEU 4 HA LEU 4 -8.523 -1.152 -10.395 46 HB2 LEU 4 1HB LEU 4 -8.443 0.926 -9.066 47 HB3 LEU 4 2HB LEU 4 -8.392 1.856 -10.562 48 HG LEU 4 HG LEU 4 -10.681 0.051 -10.410 49 HD11 LEU 4 1HD1 LEU 4 -10.179 0.877 -7.978 50 HD12 LEU 4 2HD1 LEU 4 -11.822 0.918 -8.618 51 HD13 LEU 4 3HD1 LEU 4 -10.856 2.393 -8.575 52 HD21 LEU 4 3HD2 LEU 4 -10.549 1.719 -12.113 53 HD22 LEU 4 1HD2 LEU 4 -10.280 2.993 -10.923 54 HD23 LEU 4 2HD2 LEU 4 -11.844 2.181 -11.008 55 H VAL 5 HN VAL 5 -7.034 1.145 -12.633 56 HA VAL 5 HA VAL 5 -9.032 0.938 -14.640 57 HB VAL 5 HB VAL 5 -6.142 1.789 -14.862 58 HG11 VAL 5 1HG1 VAL 5 -6.676 1.316 -17.055 59 HG12 VAL 5 2HG1 VAL 5 -8.379 1.728 -16.840 60 HG13 VAL 5 3HG1 VAL 5 -7.166 3.006 -16.928 61 HG21 VAL 5 3HG2 VAL 5 -6.760 3.859 -14.233 62 HG22 VAL 5 1HG2 VAL 5 -8.301 3.766 -15.086 63 HG23 VAL 5 2HG2 VAL 5 -8.130 3.031 -13.492 64 H SER 6 HN SER 6 -5.792 -0.514 -14.343 65 HA SER 6 HA SER 6 -5.904 -2.046 -16.688 66 HB2 SER 6 1HB SER 6 -4.365 -2.511 -14.124 67 HB3 SER 6 2HB SER 6 -4.100 -3.412 -15.617 68 HG SER 6 HG SER 6 -3.667 -1.342 -16.614 69 H SER 7 HN SER 7 -6.934 -2.751 -13.389 70 HA SER 7 HA SER 7 -7.570 -5.485 -13.880 71 HB2 SER 7 1HB SER 7 -8.339 -3.565 -11.679 72 HB3 SER 7 2HB SER 7 -8.870 -5.247 -11.705 73 HG SER 7 HG SER 7 -6.477 -5.656 -11.980 74 H CYS 8 HN CYS 8 -9.589 -2.573 -13.508 75 HA CYS 8 HA CYS 8 -12.045 -3.798 -14.048 76 HB2 CYS 8 1HB CYS 8 -11.068 -0.964 -14.307 77 HB3 CYS 8 2HB CYS 8 -12.707 -1.405 -14.767 78 HG CYS 8 HG CYS 8 -13.646 -1.924 -12.326 79 H LYS 9 HN LYS 9 -9.651 -2.359 -16.200 80 HA LYS 9 HA LYS 9 -11.199 -2.490 -18.562 81 HB2 LYS 9 1HB LYS 9 -9.314 -1.053 -18.582 82 HB3 LYS 9 2HB LYS 9 -8.234 -2.337 -18.055 83 HG2 LYS 9 1HG LYS 9 -9.533 -3.016 -20.542 84 HG3 LYS 9 2HG LYS 9 -8.671 -1.481 -20.656 85 HD2 LYS 9 1HD LYS 9 -6.687 -2.501 -20.644 86 HD3 LYS 9 2HD LYS 9 -7.122 -3.476 -19.239 87 HE2 LYS 9 1HE LYS 9 -6.768 -5.075 -20.879 88 HE3 LYS 9 2HE LYS 9 -8.516 -4.854 -20.926 89 HZ1 LYS 9 3HZ LYS 9 -8.119 -3.239 -22.773 90 HZ2 LYS 9 1HZ LYS 9 -7.749 -4.847 -23.146 91 HZ3 LYS 9 2HZ LYS 9 -6.507 -3.751 -22.805 92 H ASP 10 HN ASP 10 -8.601 -4.617 -17.362 93 HA ASP 10 HA ASP 10 -8.650 -6.524 -19.356 94 HB2 ASP 10 1HB ASP 10 -7.026 -6.388 -17.437 95 HB3 ASP 10 2HB ASP 10 -8.259 -7.132 -16.422 96 H LYS 11 HN LYS 11 -10.599 -6.426 -16.387 97 HA LYS 11 HA LYS 11 -12.023 -8.820 -16.944 98 HB2 LYS 11 1HB LYS 11 -12.049 -6.729 -14.909 99 HB3 LYS 11 2HB LYS 11 -13.662 -7.319 -15.287 100 HG2 LYS 11 1HG LYS 11 -13.275 -8.989 -13.885 101 HG3 LYS 11 2HG LYS 11 -12.119 -9.616 -15.062 102 HD2 LYS 11 1HD LYS 11 -11.235 -7.492 -13.166 103 HD3 LYS 11 2HD LYS 11 -11.402 -9.146 -12.574 104 HE2 LYS 11 1HE LYS 11 -9.997 -9.780 -14.648 105 HE3 LYS 11 2HE LYS 11 -9.572 -8.069 -14.689 106 HZ1 LYS 11 3HZ LYS 11 -9.186 -9.832 -12.332 107 HZ2 LYS 11 1HZ LYS 11 -8.664 -8.231 -12.495 108 HZ3 LYS 11 2HZ LYS 11 -7.973 -9.447 -13.446 109 H LEU 12 HN LEU 12 -13.132 -5.426 -17.002 110 HA LEU 12 HA LEU 12 -15.608 -5.774 -18.111 111 HB2 LEU 12 1HB LEU 12 -14.543 -3.630 -17.327 112 HB3 LEU 12 2HB LEU 12 -13.745 -3.544 -18.896 113 HG LEU 12 HG LEU 12 -16.474 -3.867 -19.449 114 HD11 LEU 12 1HD1 LEU 12 -17.435 -3.172 -17.528 115 HD12 LEU 12 2HD1 LEU 12 -17.067 -1.580 -18.189 116 HD13 LEU 12 3HD1 LEU 12 -15.997 -2.306 -16.989 117 HD21 LEU 12 3HD2 LEU 12 -15.530 -2.505 -20.960 118 HD22 LEU 12 1HD2 LEU 12 -14.350 -1.880 -19.808 119 HD23 LEU 12 2HD2 LEU 12 -15.985 -1.219 -19.842 120 H ALA 13 HN ALA 13 -12.514 -5.542 -19.819 121 HA ALA 13 HA ALA 13 -13.630 -5.684 -22.429 122 HB1 ALA 13 1HB ALA 13 -11.332 -6.097 -23.169 123 HB2 ALA 13 2HB ALA 13 -11.419 -4.747 -22.037 124 HB3 ALA 13 3HB ALA 13 -10.834 -6.318 -21.491 125 H TYR 14 HN TYR 14 -12.355 -8.089 -20.179 126 HA TYR 14 HA TYR 14 -12.514 -10.269 -22.011 127 HB2 TYR 14 1HB TYR 14 -11.010 -10.289 -20.057 128 HB3 TYR 14 2HB TYR 14 -12.406 -10.298 -18.986 129 HD1 TYR 14 1HD TYR 14 -11.664 -12.234 -22.094 130 HD2 TYR 14 2HD TYR 14 -12.461 -12.350 -17.916 131 HE1 TYR 14 1HE TYR 14 -11.702 -14.692 -22.175 132 HE2 TYR 14 2HE TYR 14 -12.500 -14.808 -17.985 133 HH TYR 14 HH TYR 14 -12.456 -16.562 -20.980 134 H PHE 15 HN PHE 15 -14.814 -8.577 -20.163 135 HA PHE 15 HA PHE 15 -16.706 -10.805 -20.147 136 HB2 PHE 15 1HB PHE 15 -16.986 -8.013 -19.014 137 HB3 PHE 15 2HB PHE 15 -18.129 -9.334 -18.794 138 HD1 PHE 15 2HD PHE 15 -15.864 -11.455 -18.489 139 HD2 PHE 15 1HD PHE 15 -16.649 -7.695 -16.655 140 HE1 PHE 15 2HE PHE 15 -14.638 -12.181 -16.483 141 HE2 PHE 15 1HE PHE 15 -15.423 -8.415 -14.646 142 HZ PHE 15 HZ PHE 15 -14.416 -10.661 -14.559 143 H ARG 16 HN ARG 16 -18.472 -10.917 -21.430 144 HA ARG 16 HA ARG 16 -18.555 -9.586 -23.865 145 HB2 ARG 16 1HB ARG 16 -20.967 -10.753 -22.476 146 HB3 ARG 16 2HB ARG 16 -20.700 -10.590 -24.206 147 HG2 ARG 16 1HG ARG 16 -18.563 -12.107 -23.446 148 HG3 ARG 16 2HG ARG 16 -19.832 -12.674 -22.358 149 HD2 ARG 16 1HD ARG 16 -21.275 -12.764 -24.518 150 HD3 ARG 16 2HD ARG 16 -19.718 -12.756 -25.345 151 HE ARG 16 HE ARG 16 -19.792 -14.727 -23.299 152 HH11 ARG 16 1HH1 ARG 16 -20.873 -14.044 -26.537 153 HH12 ARG 16 2HH1 ARG 16 -20.959 -15.711 -27.000 154 HH21 ARG 16 1HH2 ARG 16 -19.901 -16.925 -23.896 155 HH22 ARG 16 2HH2 ARG 16 -20.407 -17.349 -25.497 156 H ILE 17 HN ILE 17 -20.765 -8.444 -24.540 157 HA ILE 17 HA ILE 17 -20.683 -5.853 -23.589 158 HB ILE 17 HB ILE 17 -23.177 -7.122 -24.710 159 HG12 ILE 17 1HG1 ILE 17 -20.573 -6.454 -26.005 160 HG13 ILE 17 2HG1 ILE 17 -21.684 -7.778 -26.339 161 HG21 ILE 17 1HG2 ILE 17 -23.250 -4.778 -23.804 162 HG22 ILE 17 2HG2 ILE 17 -22.115 -4.330 -25.076 163 HG23 ILE 17 3HG2 ILE 17 -23.712 -4.946 -25.498 164 HD11 ILE 17 3HD1 ILE 17 -21.743 -4.964 -27.313 165 HD12 ILE 17 1HD1 ILE 17 -21.909 -6.472 -28.212 166 HD13 ILE 17 2HD1 ILE 17 -23.240 -5.891 -27.211 167 H LYS 18 HN LYS 18 -22.291 -8.609 -22.260 168 HA LYS 18 HA LYS 18 -24.348 -7.551 -20.788 169 HB2 LYS 18 1HB LYS 18 -23.016 -9.976 -20.872 170 HB3 LYS 18 2HB LYS 18 -22.760 -9.433 -19.219 171 HG2 LYS 18 1HG LYS 18 -25.431 -9.716 -20.581 172 HG3 LYS 18 2HG LYS 18 -24.740 -10.840 -19.410 173 HD2 LYS 18 1HD LYS 18 -25.652 -9.640 -17.776 174 HD3 LYS 18 2HD LYS 18 -24.625 -8.281 -18.237 175 HE2 LYS 18 1HE LYS 18 -26.572 -7.221 -18.594 176 HE3 LYS 18 2HE LYS 18 -26.585 -8.122 -20.109 177 HZ1 LYS 18 3HZ LYS 18 -28.652 -8.566 -19.220 178 HZ2 LYS 18 1HZ LYS 18 -28.083 -8.653 -17.629 179 HZ3 LYS 18 2HZ LYS 18 -27.764 -9.913 -18.711 180 H GLU 19 HN GLU 19 -20.923 -7.712 -19.845 181 HA GLU 19 HA GLU 19 -21.172 -6.548 -17.321 182 HB2 GLU 19 1HB GLU 19 -19.130 -7.673 -18.136 183 HB3 GLU 19 2HB GLU 19 -18.843 -6.332 -19.236 184 HG2 GLU 19 1HG GLU 19 -17.429 -6.012 -17.373 185 HG3 GLU 19 2HG GLU 19 -18.733 -4.834 -17.233 186 H LEU 20 HN LEU 20 -20.257 -4.978 -20.390 187 HA LEU 20 HA LEU 20 -20.142 -2.365 -19.444 188 HB2 LEU 20 1HB LEU 20 -20.646 -3.587 -22.118 189 HB3 LEU 20 2HB LEU 20 -20.852 -1.848 -21.913 190 HG LEU 20 HG LEU 20 -18.668 -2.286 -22.811 191 HD11 LEU 20 1HD1 LEU 20 -17.956 -1.732 -19.991 192 HD12 LEU 20 2HD1 LEU 20 -19.132 -0.663 -20.755 193 HD13 LEU 20 3HD1 LEU 20 -17.529 -0.861 -21.464 194 HD21 LEU 20 3HD2 LEU 20 -18.442 -4.605 -22.057 195 HD22 LEU 20 1HD2 LEU 20 -18.215 -4.043 -20.401 196 HD23 LEU 20 2HD2 LEU 20 -17.023 -3.645 -21.638 197 H LYS 21 HN LYS 21 -22.876 -4.030 -21.007 198 HA LYS 21 HA LYS 21 -24.727 -1.966 -20.884 199 HB2 LYS 21 1HB LYS 21 -24.809 -4.447 -21.868 200 HB3 LYS 21 2HB LYS 21 -25.691 -4.735 -20.374 201 HG2 LYS 21 1HG LYS 21 -26.415 -2.595 -22.361 202 HG3 LYS 21 2HG LYS 21 -27.119 -4.214 -22.347 203 HD2 LYS 21 1HD LYS 21 -27.859 -3.806 -20.006 204 HD3 LYS 21 2HD LYS 21 -27.276 -2.146 -20.156 205 HE2 LYS 21 1HE LYS 21 -29.060 -1.510 -21.351 206 HE3 LYS 21 2HE LYS 21 -29.031 -2.970 -22.340 207 HZ1 LYS 21 3HZ LYS 21 -31.050 -2.915 -21.084 208 HZ2 LYS 21 1HZ LYS 21 -30.213 -2.685 -19.632 209 HZ3 LYS 21 2HZ LYS 21 -30.079 -4.152 -20.462 210 H ASP 22 HN ASP 22 -24.088 -4.520 -18.495 211 HA ASP 22 HA ASP 22 -26.029 -3.870 -16.629 212 HB2 ASP 22 1HB ASP 22 -23.514 -5.361 -16.636 213 HB3 ASP 22 2HB ASP 22 -23.879 -4.639 -15.072 214 H ILE 23 HN ILE 23 -22.694 -2.648 -16.837 215 HA ILE 23 HA ILE 23 -22.930 -0.887 -14.629 216 HB ILE 23 HB ILE 23 -21.012 -0.716 -16.955 217 HG12 ILE 23 1HG1 ILE 23 -20.601 -2.003 -14.250 218 HG13 ILE 23 2HG1 ILE 23 -20.997 -2.896 -15.714 219 HG21 ILE 23 1HG2 ILE 23 -21.101 0.607 -14.264 220 HG22 ILE 23 2HG2 ILE 23 -19.592 0.416 -15.153 221 HG23 ILE 23 3HG2 ILE 23 -20.916 1.346 -15.854 222 HD11 ILE 23 3HD1 ILE 23 -18.828 -1.424 -16.490 223 HD12 ILE 23 1HD1 ILE 23 -18.455 -1.810 -14.810 224 HD13 ILE 23 2HD1 ILE 23 -18.797 -3.105 -15.958 225 H LEU 24 HN LEU 24 -22.769 -0.164 -18.122 226 HA LEU 24 HA LEU 24 -23.316 2.529 -18.025 227 HB2 LEU 24 1HB LEU 24 -22.952 2.114 -20.179 228 HB3 LEU 24 2HB LEU 24 -23.432 0.427 -20.008 229 HG LEU 24 HG LEU 24 -25.510 2.573 -20.223 230 HD11 LEU 24 1HD1 LEU 24 -25.520 2.304 -22.639 231 HD12 LEU 24 2HD1 LEU 24 -24.116 1.242 -22.542 232 HD13 LEU 24 3HD1 LEU 24 -23.969 2.939 -22.089 233 HD21 LEU 24 3HD2 LEU 24 -26.220 0.274 -21.620 234 HD22 LEU 24 1HD2 LEU 24 -26.796 0.770 -20.029 235 HD23 LEU 24 2HD2 LEU 24 -25.411 -0.313 -20.166 236 H ASN 25 HN ASN 25 -25.488 -0.141 -17.552 237 HA ASN 25 HA ASN 25 -27.896 1.383 -17.874 238 HB2 ASN 25 1HB ASN 25 -28.383 -0.824 -18.235 239 HB3 ASN 25 2HB ASN 25 -27.199 -1.389 -17.060 240 HD21 ASN 25 1HD2 ASN 25 -27.755 -1.426 -14.861 241 HD22 ASN 25 2HD2 ASN 25 -29.406 -1.423 -14.352 242 H GLN 26 HN GLN 26 -26.048 0.157 -15.102 243 HA GLN 26 HA GLN 26 -27.770 1.140 -13.104 244 HB2 GLN 26 1HB GLN 26 -24.898 0.292 -13.163 245 HB3 GLN 26 2HB GLN 26 -25.549 1.058 -11.720 246 HG2 GLN 26 1HG GLN 26 -26.982 -0.693 -11.273 247 HG3 GLN 26 2HG GLN 26 -26.968 -1.266 -12.940 248 HE21 GLN 26 1HE2 GLN 26 -25.280 -2.550 -13.652 249 HE22 GLN 26 2HE2 GLN 26 -24.172 -3.310 -12.566 250 H LEU 27 HN LEU 27 -25.053 2.587 -14.809 251 HA LEU 27 HA LEU 27 -24.834 4.897 -13.185 252 HB2 LEU 27 1HB LEU 27 -24.091 4.600 -16.090 253 HB3 LEU 27 2HB LEU 27 -23.486 5.814 -14.965 254 HG LEU 27 HG LEU 27 -22.737 2.947 -15.259 255 HD11 LEU 27 1HD1 LEU 27 -21.043 4.150 -16.130 256 HD12 LEU 27 2HD1 LEU 27 -20.550 4.284 -14.442 257 HD13 LEU 27 3HD1 LEU 27 -21.448 5.596 -15.205 258 HD21 LEU 27 3HD2 LEU 27 -22.970 4.427 -12.683 259 HD22 LEU 27 1HD2 LEU 27 -21.597 3.348 -12.929 260 HD23 LEU 27 2HD2 LEU 27 -23.242 2.719 -13.034 261 H GLY 28 HN GLY 28 -26.818 4.066 -15.952 262 HA2 GLY 28 2HA GLY 28 -28.829 5.067 -16.570 263 HA3 GLY 28 3HA GLY 28 -28.506 6.363 -15.428 264 H LEU 29 HN LEU 29 -26.386 5.238 -18.019 265 HA LEU 29 HA LEU 29 -26.866 7.760 -19.451 266 HB2 LEU 29 1HB LEU 29 -24.285 7.499 -19.966 267 HB3 LEU 29 2HB LEU 29 -24.877 8.375 -18.556 268 HG LEU 29 HG LEU 29 -24.463 6.373 -17.174 269 HD11 LEU 29 1HD1 LEU 29 -23.224 5.256 -19.685 270 HD12 LEU 29 2HD1 LEU 29 -24.706 4.683 -18.920 271 HD13 LEU 29 3HD1 LEU 29 -23.163 4.525 -18.081 272 HD21 LEU 29 3HD2 LEU 29 -21.930 6.444 -17.408 273 HD22 LEU 29 1HD2 LEU 29 -22.749 7.980 -17.120 274 HD23 LEU 29 2HD2 LEU 29 -22.195 7.567 -18.743 275 HA PRO 30 HA PRO 30 -27.002 3.963 -22.194 276 HB2 PRO 30 1HB PRO 30 -29.481 4.439 -23.191 277 HB3 PRO 30 2HB PRO 30 -29.202 3.510 -21.713 278 HG2 PRO 30 1HG PRO 30 -29.997 6.379 -22.027 279 HG3 PRO 30 2HG PRO 30 -30.615 5.165 -20.892 280 HD2 PRO 30 1HD PRO 30 -28.800 7.040 -20.172 281 HD3 PRO 30 2HD PRO 30 -28.832 5.417 -19.454 282 H LYS 31 HN LYS 31 -28.060 4.170 -24.621 283 HA LYS 31 HA LYS 31 -27.870 5.099 -26.692 284 HB2 LYS 31 1HB LYS 31 -28.800 7.142 -25.233 285 HB3 LYS 31 2HB LYS 31 -27.225 7.807 -25.647 286 HG2 LYS 31 1HG LYS 31 -28.862 8.545 -27.245 287 HG3 LYS 31 2HG LYS 31 -27.727 7.445 -28.031 288 HD2 LYS 31 1HD LYS 31 -30.067 7.013 -28.681 289 HD3 LYS 31 2HD LYS 31 -29.326 5.631 -27.871 290 HE2 LYS 31 1HE LYS 31 -30.462 6.137 -25.827 291 HE3 LYS 31 2HE LYS 31 -31.048 7.670 -26.472 292 HZ1 LYS 31 3HZ LYS 31 -32.611 6.635 -27.762 293 HZ2 LYS 31 1HZ LYS 31 -32.583 5.589 -26.432 294 HZ3 LYS 31 2HZ LYS 31 -31.759 5.176 -27.850 295 H GLN 32 HN GLN 32 -25.749 3.771 -26.116 296 HA GLN 32 HA GLN 32 -23.434 5.536 -26.550 297 HB2 GLN 32 1HB GLN 32 -23.849 3.195 -24.881 298 HB3 GLN 32 2HB GLN 32 -22.460 2.998 -25.940 299 HG2 GLN 32 1HG GLN 32 -22.071 4.002 -23.629 300 HG3 GLN 32 2HG GLN 32 -21.338 4.810 -25.014 301 HE21 GLN 32 1HE2 GLN 32 -24.667 4.886 -23.829 302 HE22 GLN 32 2HE2 GLN 32 -24.715 6.590 -23.547 303 H GLY 33 HN GLY 33 -21.605 3.768 -27.524 304 HA2 GLY 33 2HA GLY 33 -22.696 3.250 -30.196 305 HA3 GLY 33 3HA GLY 33 -20.994 3.398 -29.787 306 H LYS 34 HN LYS 34 -20.004 1.544 -30.200 307 HA LYS 34 HA LYS 34 -21.428 -0.976 -29.744 308 HB2 LYS 34 1HB LYS 34 -19.714 -2.010 -31.118 309 HB3 LYS 34 2HB LYS 34 -20.387 -0.617 -31.954 310 HG2 LYS 34 1HG LYS 34 -18.049 0.037 -30.347 311 HG3 LYS 34 2HG LYS 34 -17.723 -1.155 -31.607 312 HD2 LYS 34 1HD LYS 34 -18.336 0.302 -33.316 313 HD3 LYS 34 2HD LYS 34 -19.258 1.343 -32.228 314 HE2 LYS 34 1HE LYS 34 -17.321 2.566 -32.692 315 HE3 LYS 34 2HE LYS 34 -17.011 1.848 -31.111 316 HZ1 LYS 34 3HZ LYS 34 -15.915 -0.014 -32.486 317 HZ2 LYS 34 1HZ LYS 34 -15.070 1.433 -32.255 318 HZ3 LYS 34 2HZ LYS 34 -15.854 1.137 -33.724 319 H LYS 35 HN LYS 35 -19.473 -2.757 -29.303 320 HA LYS 35 HA LYS 35 -19.007 -2.702 -26.602 321 HB2 LYS 35 1HB LYS 35 -18.023 -4.245 -28.868 322 HB3 LYS 35 2HB LYS 35 -16.824 -4.107 -27.588 323 HG2 LYS 35 1HG LYS 35 -19.646 -5.089 -27.213 324 HG3 LYS 35 2HG LYS 35 -18.221 -6.118 -27.378 325 HD2 LYS 35 1HD LYS 35 -18.360 -3.996 -25.263 326 HD3 LYS 35 2HD LYS 35 -19.091 -5.582 -25.009 327 HE2 LYS 35 1HE LYS 35 -16.217 -5.172 -25.815 328 HE3 LYS 35 2HE LYS 35 -16.749 -5.332 -24.142 329 HZ1 LYS 35 3HZ LYS 35 -15.980 -7.440 -25.036 330 HZ2 LYS 35 1HZ LYS 35 -17.129 -7.363 -26.276 331 HZ3 LYS 35 2HZ LYS 35 -17.630 -7.518 -24.668 332 H GLN 36 HN GLN 36 -17.155 -1.185 -29.140 333 HA GLN 36 HA GLN 36 -14.843 -0.630 -27.570 334 HB2 GLN 36 1HB GLN 36 -15.881 0.226 -30.227 335 HB3 GLN 36 2HB GLN 36 -14.638 1.216 -29.474 336 HG2 GLN 36 1HG GLN 36 -14.361 -1.745 -29.906 337 HG3 GLN 36 2HG GLN 36 -13.812 -0.532 -31.061 338 HE21 GLN 36 1HE2 GLN 36 -13.365 -1.832 -27.845 339 HE22 GLN 36 2HE2 GLN 36 -11.766 -1.221 -27.611 340 H ASP 37 HN ASP 37 -17.701 1.260 -28.488 341 HA ASP 37 HA ASP 37 -16.958 3.673 -27.278 342 HB2 ASP 37 1HB ASP 37 -19.310 2.564 -28.506 343 HB3 ASP 37 2HB ASP 37 -19.763 3.431 -27.041 344 H LEU 38 HN LEU 38 -18.879 0.968 -25.999 345 HA LEU 38 HA LEU 38 -19.371 2.093 -23.469 346 HB2 LEU 38 1HB LEU 38 -19.205 -0.791 -24.324 347 HB3 LEU 38 2HB LEU 38 -19.813 -0.247 -22.762 348 HG LEU 38 HG LEU 38 -21.044 0.278 -25.465 349 HD11 LEU 38 1HD1 LEU 38 -22.485 -1.390 -25.043 350 HD12 LEU 38 2HD1 LEU 38 -22.568 -1.023 -23.320 351 HD13 LEU 38 3HD1 LEU 38 -21.220 -1.966 -23.957 352 HD21 LEU 38 3HD2 LEU 38 -22.835 1.394 -24.239 353 HD22 LEU 38 1HD2 LEU 38 -21.294 2.220 -24.003 354 HD23 LEU 38 2HD2 LEU 38 -21.943 1.185 -22.731 355 H ILE 39 HN ILE 39 -16.959 -0.352 -24.433 356 HA ILE 39 HA ILE 39 -15.644 -0.629 -22.024 357 HB ILE 39 HB ILE 39 -14.797 -0.942 -24.862 358 HG12 ILE 39 1HG1 ILE 39 -14.452 -2.881 -22.591 359 HG13 ILE 39 2HG1 ILE 39 -16.028 -2.645 -23.338 360 HG21 ILE 39 1HG2 ILE 39 -12.547 -1.762 -23.886 361 HG22 ILE 39 2HG2 ILE 39 -12.785 -0.036 -24.152 362 HG23 ILE 39 3HG2 ILE 39 -12.939 -0.706 -22.529 363 HD11 ILE 39 3HD1 ILE 39 -15.198 -3.374 -25.458 364 HD12 ILE 39 1HD1 ILE 39 -13.547 -3.436 -24.841 365 HD13 ILE 39 2HD1 ILE 39 -14.757 -4.568 -24.237 366 H ASP 40 HN ASP 40 -14.745 1.586 -24.672 367 HA ASP 40 HA ASP 40 -12.654 2.878 -23.364 368 HB2 ASP 40 1HB ASP 40 -13.664 3.042 -25.843 369 HB3 ASP 40 2HB ASP 40 -14.364 4.510 -25.165 370 H ARG 41 HN ARG 41 -16.115 3.396 -23.188 371 HA ARG 41 HA ARG 41 -16.112 5.901 -21.922 372 HB2 ARG 41 1HB ARG 41 -18.029 3.876 -22.582 373 HB3 ARG 41 2HB ARG 41 -18.297 4.398 -20.924 374 HG2 ARG 41 1HG ARG 41 -18.091 6.269 -23.272 375 HG3 ARG 41 2HG ARG 41 -19.609 5.652 -22.617 376 HD2 ARG 41 1HD ARG 41 -19.498 6.958 -20.765 377 HD3 ARG 41 2HD ARG 41 -17.738 6.887 -20.691 378 HE ARG 41 HE ARG 41 -18.235 8.397 -22.894 379 HH11 ARG 41 1HH1 ARG 41 -19.234 8.560 -19.563 380 HH12 ARG 41 2HH1 ARG 41 -19.372 10.287 -19.553 381 HH21 ARG 41 1HH2 ARG 41 -18.413 10.671 -22.893 382 HH22 ARG 41 2HH2 ARG 41 -18.905 11.486 -21.448 383 H VAL 42 HN VAL 42 -16.425 2.652 -20.481 384 HA VAL 42 HA VAL 42 -16.442 3.396 -17.813 385 HB VAL 42 HB VAL 42 -15.516 0.909 -19.208 386 HG11 VAL 42 1HG1 VAL 42 -14.006 0.962 -17.393 387 HG12 VAL 42 2HG1 VAL 42 -15.246 1.543 -16.279 388 HG13 VAL 42 3HG1 VAL 42 -15.317 -0.108 -16.898 389 HG21 VAL 42 3HG2 VAL 42 -17.951 1.893 -18.063 390 HG22 VAL 42 1HG2 VAL 42 -17.670 0.417 -18.986 391 HG23 VAL 42 2HG2 VAL 42 -17.458 0.416 -17.235 392 H LEU 43 HN LEU 43 -13.632 2.507 -19.813 393 HA LEU 43 HA LEU 43 -11.653 2.813 -17.892 394 HB2 LEU 43 1HB LEU 43 -11.407 3.500 -20.816 395 HB3 LEU 43 2HB LEU 43 -10.097 3.071 -19.718 396 HG LEU 43 HG LEU 43 -12.207 1.291 -20.903 397 HD11 LEU 43 1HD1 LEU 43 -9.591 1.909 -21.612 398 HD12 LEU 43 2HD1 LEU 43 -10.562 0.561 -22.203 399 HD13 LEU 43 3HD1 LEU 43 -9.486 0.333 -20.825 400 HD21 LEU 43 3HD2 LEU 43 -12.258 0.557 -18.693 401 HD22 LEU 43 1HD2 LEU 43 -10.540 0.870 -18.447 402 HD23 LEU 43 2HD2 LEU 43 -11.054 -0.489 -19.448 403 H ALA 44 HN ALA 44 -13.218 5.228 -19.924 404 HA ALA 44 HA ALA 44 -11.504 7.384 -19.280 405 HB1 ALA 44 1HB ALA 44 -12.917 7.491 -21.226 406 HB2 ALA 44 2HB ALA 44 -14.366 7.376 -20.227 407 HB3 ALA 44 3HB ALA 44 -13.340 8.808 -20.132 408 H LEU 45 HN LEU 45 -14.539 6.225 -17.871 409 HA LEU 45 HA LEU 45 -15.010 8.298 -16.077 410 HB2 LEU 45 1HB LEU 45 -15.722 5.415 -16.185 411 HB3 LEU 45 2HB LEU 45 -15.988 6.278 -14.672 412 HG LEU 45 HG LEU 45 -17.458 7.856 -15.834 413 HD11 LEU 45 1HD1 LEU 45 -17.278 6.096 -18.258 414 HD12 LEU 45 2HD1 LEU 45 -16.260 7.523 -18.061 415 HD13 LEU 45 3HD1 LEU 45 -18.015 7.691 -18.101 416 HD21 LEU 45 3HD2 LEU 45 -18.277 5.022 -16.442 417 HD22 LEU 45 1HD2 LEU 45 -19.322 6.400 -16.094 418 HD23 LEU 45 2HD2 LEU 45 -18.304 5.723 -14.823 419 H LEU 46 HN LEU 46 -13.246 5.253 -15.518 420 HA LEU 46 HA LEU 46 -12.400 6.017 -12.898 421 HB2 LEU 46 1HB LEU 46 -10.970 3.939 -14.483 422 HB3 LEU 46 2HB LEU 46 -11.378 3.960 -12.769 423 HG LEU 46 HG LEU 46 -13.200 3.327 -15.084 424 HD11 LEU 46 1HD1 LEU 46 -11.521 1.654 -13.940 425 HD12 LEU 46 2HD1 LEU 46 -13.156 1.157 -14.375 426 HD13 LEU 46 3HD1 LEU 46 -12.780 1.590 -12.707 427 HD21 LEU 46 3HD2 LEU 46 -14.812 4.259 -13.831 428 HD22 LEU 46 1HD2 LEU 46 -13.805 4.293 -12.383 429 HD23 LEU 46 2HD2 LEU 46 -14.646 2.811 -12.837 430 H THR 47 HN THR 47 -11.176 6.474 -16.100 431 HA THR 47 HA THR 47 -8.480 7.077 -15.279 432 HB THR 47 HB THR 47 -9.930 7.368 -17.907 433 HG1 THR 47 1HG THR 47 -9.098 5.454 -18.227 434 HG21 THR 47 3HG2 THR 47 -8.456 9.011 -18.364 435 HG22 THR 47 1HG2 THR 47 -7.302 7.688 -18.532 436 HG23 THR 47 2HG2 THR 47 -7.406 8.581 -17.015 437 H ASP 48 HN ASP 48 -10.830 9.092 -17.047 438 HA ASP 48 HA ASP 48 -9.653 11.537 -16.538 439 HB2 ASP 48 1HB ASP 48 -12.181 10.598 -17.559 440 HB3 ASP 48 2HB ASP 48 -12.428 12.016 -16.543 441 H GLU 49 HN GLU 49 -11.359 9.498 -14.380 442 HA GLU 49 HA GLU 49 -12.344 11.389 -12.545 443 HB2 GLU 49 1HB GLU 49 -11.987 8.514 -12.657 444 HB3 GLU 49 2HB GLU 49 -11.635 9.138 -11.052 445 HG2 GLU 49 1HG GLU 49 -13.794 10.022 -10.802 446 HG3 GLU 49 2HG GLU 49 -14.148 9.857 -12.521 447 H GLN 50 HN GLN 50 -9.177 10.590 -13.355 448 HA GLN 50 HA GLN 50 -7.929 10.932 -10.818 449 HB2 GLN 50 1HB GLN 50 -5.945 10.605 -11.915 450 HB3 GLN 50 2HB GLN 50 -7.046 9.886 -13.082 451 HG2 GLN 50 1HG GLN 50 -6.156 12.749 -13.240 452 HG3 GLN 50 2HG GLN 50 -5.273 11.426 -14.000 453 HE21 GLN 50 1HE2 GLN 50 -8.141 13.368 -14.058 454 HE22 GLN 50 2HE2 GLN 50 -8.709 12.853 -15.606 455 H GLY 51 HN GLY 51 -9.548 13.085 -12.743 456 HA2 GLY 51 2HA GLY 51 -8.038 15.384 -12.874 457 HA3 GLY 51 3HA GLY 51 -9.777 15.369 -12.625 458 H GLN 52 HN GLN 52 -9.411 13.889 -10.051 459 HA GLN 52 HA GLN 52 -8.417 16.143 -8.433 460 HB2 GLN 52 1HB GLN 52 -11.004 14.844 -8.454 461 HB3 GLN 52 2HB GLN 52 -10.257 14.733 -6.865 462 HG2 GLN 52 1HG GLN 52 -9.987 17.386 -7.965 463 HG3 GLN 52 2HG GLN 52 -11.675 16.878 -7.908 464 HE21 GLN 52 1HE2 GLN 52 -8.872 16.332 -5.801 465 HE22 GLN 52 2HE2 GLN 52 -9.631 16.902 -4.357 466 H ARG 53 HN ARG 53 -8.664 12.678 -8.818 467 HA ARG 53 HA ARG 53 -7.402 10.973 -7.986 468 HB2 ARG 53 1HB ARG 53 -5.678 12.971 -6.545 469 HB3 ARG 53 2HB ARG 53 -5.234 11.390 -7.173 470 HG2 ARG 53 1HG ARG 53 -5.599 12.305 -9.477 471 HG3 ARG 53 2HG ARG 53 -5.782 13.897 -8.738 472 HD2 ARG 53 1HD ARG 53 -3.568 14.088 -8.954 473 HD3 ARG 53 2HD ARG 53 -3.457 12.950 -7.612 474 HE ARG 53 HE ARG 53 -3.704 11.440 -9.921 475 HH11 ARG 53 1HH1 ARG 53 -1.461 13.734 -8.570 476 HH12 ARG 53 2HH1 ARG 53 -0.081 13.049 -9.364 477 HH21 ARG 53 1HH2 ARG 53 -1.896 10.529 -10.971 478 HH22 ARG 53 2HH2 ARG 53 -0.330 11.227 -10.730 479 H HIS 54 HN HIS 54 -9.706 11.864 -6.614 480 HA HIS 54 HA HIS 54 -9.220 10.653 -4.045 481 HB2 HIS 54 1HB HIS 54 -8.707 13.158 -3.806 482 HB3 HIS 54 2HB HIS 54 -10.438 13.408 -4.014 483 HD1 HIS 54 1HD HIS 54 -8.211 11.271 -1.776 484 HD2 HIS 54 2HD HIS 54 -11.728 13.479 -1.649 485 HE1 HIS 54 1HE HIS 54 -8.998 11.146 0.610 486 H HIS 55 HN HIS 55 -10.752 9.939 -6.319 487 HA HIS 55 HA HIS 55 -13.452 10.590 -6.215 488 HB2 HIS 55 1HB HIS 55 -13.839 8.428 -7.360 489 HB3 HIS 55 2HB HIS 55 -12.510 9.338 -8.073 490 HD1 HIS 55 1HD HIS 55 -10.702 7.802 -8.729 491 HD2 HIS 55 2HD HIS 55 -12.546 6.581 -5.212 492 HE1 HIS 55 1HE HIS 55 -9.478 5.724 -8.015 493 H GLY 56 HN GLY 56 -15.126 8.678 -5.737 494 HA2 GLY 56 2HA GLY 56 -15.477 6.833 -4.090 495 HA3 GLY 56 3HA GLY 56 -14.614 7.850 -2.946 496 H TRP 57 HN TRP 57 -17.065 8.846 -5.291 497 HA TRP 57 HA TRP 57 -18.761 9.663 -3.023 498 HB2 TRP 57 1HB TRP 57 -19.403 11.041 -5.479 499 HB3 TRP 57 2HB TRP 57 -18.933 11.707 -3.917 500 HD1 TRP 57 HD TRP 57 -16.301 12.194 -3.536 501 HE1 TRP 57 1HE TRP 57 -14.402 12.632 -5.217 502 HE3 TRP 57 3HE TRP 57 -18.551 10.435 -7.776 503 HZ2 TRP 57 2HZ TRP 57 -13.922 12.279 -7.976 504 HZ3 TRP 57 3HZ TRP 57 -17.304 10.521 -9.895 505 HH2 TRP 57 HH TRP 57 -15.038 11.425 -9.991 506 H GLY 58 HN GLY 58 -19.223 9.194 -6.533 507 HA2 GLY 58 2HA GLY 58 -20.714 7.867 -7.683 508 HA3 GLY 58 3HA GLY 58 -20.982 6.974 -6.193 509 H ARG 59 HN ARG 59 -21.470 10.203 -5.585 510 HA ARG 59 HA ARG 59 -24.370 9.925 -6.034 511 HB2 ARG 59 1HB ARG 59 -22.961 10.369 -3.636 512 HB3 ARG 59 2HB ARG 59 -23.725 11.901 -4.040 513 HG2 ARG 59 1HG ARG 59 -25.437 10.997 -2.887 514 HG3 ARG 59 2HG ARG 59 -25.800 10.270 -4.454 515 HD2 ARG 59 1HD ARG 59 -25.899 8.595 -2.698 516 HD3 ARG 59 2HD ARG 59 -24.561 8.258 -3.796 517 HE ARG 59 HE ARG 59 -23.579 9.779 -1.669 518 HH11 ARG 59 1HH1 ARG 59 -24.917 6.621 -2.263 519 HH12 ARG 59 2HH1 ARG 59 -24.054 5.867 -0.963 520 HH21 ARG 59 1HH2 ARG 59 -22.437 8.799 0.045 521 HH22 ARG 59 2HH2 ARG 59 -22.644 7.108 0.350 522 H LYS 60 HN LYS 60 -21.792 11.386 -7.290 523 HA LYS 60 HA LYS 60 -23.185 13.933 -7.788 524 HB2 LYS 60 1HB LYS 60 -21.083 14.967 -8.169 525 HB3 LYS 60 2HB LYS 60 -20.898 14.010 -6.705 526 HG2 LYS 60 1HG LYS 60 -19.747 12.279 -7.935 527 HG3 LYS 60 2HG LYS 60 -20.012 13.145 -9.450 528 HD2 LYS 60 1HD LYS 60 -18.812 15.050 -7.892 529 HD3 LYS 60 2HD LYS 60 -18.007 13.572 -7.361 530 HE2 LYS 60 1HE LYS 60 -16.669 14.186 -9.123 531 HE3 LYS 60 2HE LYS 60 -17.813 13.116 -9.932 532 HZ1 LYS 60 3HZ LYS 60 -17.756 16.075 -9.954 533 HZ2 LYS 60 1HZ LYS 60 -19.119 15.197 -10.440 534 HZ3 LYS 60 2HZ LYS 60 -17.657 15.016 -11.270 535 H ASN 61 HN ASN 61 -22.455 10.984 -9.153 536 HA ASN 61 HA ASN 61 -23.258 11.901 -11.772 537 HB2 ASN 61 1HB ASN 61 -21.201 10.459 -12.677 538 HB3 ASN 61 2HB ASN 61 -21.069 12.188 -12.373 539 HD21 ASN 61 1HD2 ASN 61 -21.276 9.721 -9.899 540 HD22 ASN 61 2HD2 ASN 61 -19.676 9.935 -9.283 541 H SER 62 HN SER 62 -23.876 9.958 -9.451 542 HA SER 62 HA SER 62 -24.640 7.822 -9.150 543 HB2 SER 62 1HB SER 62 -26.181 9.061 -10.961 544 HB3 SER 62 2HB SER 62 -25.611 7.724 -11.960 545 HG SER 62 HG SER 62 -26.557 7.169 -9.384 546 H LEU 63 HN LEU 63 -21.928 7.943 -10.016 547 HA LEU 63 HA LEU 63 -21.560 5.230 -10.795 548 HB2 LEU 63 1HB LEU 63 -20.407 5.596 -12.895 549 HB3 LEU 63 2HB LEU 63 -22.073 6.164 -12.988 550 HG LEU 63 HG LEU 63 -20.822 8.466 -12.347 551 HD11 LEU 63 1HD1 LEU 63 -18.885 7.955 -14.323 552 HD12 LEU 63 2HD1 LEU 63 -18.731 6.679 -13.116 553 HD13 LEU 63 3HD1 LEU 63 -18.628 8.370 -12.629 554 HD21 LEU 63 3HD2 LEU 63 -21.422 9.145 -14.437 555 HD22 LEU 63 1HD2 LEU 63 -22.317 7.626 -14.367 556 HD23 LEU 63 2HD2 LEU 63 -20.772 7.701 -15.216 557 H THR 64 HN THR 64 -19.653 4.509 -10.049 558 HA THR 64 HA THR 64 -17.370 6.261 -9.785 559 HB THR 64 HB THR 64 -17.397 5.229 -7.230 560 HG1 THR 64 1HG THR 64 -19.424 4.876 -6.754 561 HG21 THR 64 3HG2 THR 64 -17.803 7.544 -6.523 562 HG22 THR 64 1HG2 THR 64 -18.353 7.943 -8.150 563 HG23 THR 64 2HG2 THR 64 -16.676 7.473 -7.877 564 H LYS 65 HN LYS 65 -15.539 5.013 -8.610 565 HA LYS 65 HA LYS 65 -14.926 2.733 -10.069 566 HB2 LYS 65 1HB LYS 65 -13.179 2.343 -8.268 567 HB3 LYS 65 2HB LYS 65 -13.137 3.911 -9.064 568 HG2 LYS 65 1HG LYS 65 -13.584 5.018 -7.175 569 HG3 LYS 65 2HG LYS 65 -14.792 3.841 -6.654 570 HD2 LYS 65 1HD LYS 65 -11.906 3.088 -6.590 571 HD3 LYS 65 2HD LYS 65 -12.548 4.139 -5.326 572 HE2 LYS 65 1HE LYS 65 -14.333 1.939 -5.765 573 HE3 LYS 65 2HE LYS 65 -12.701 1.335 -5.489 574 HZ1 LYS 65 3HZ LYS 65 -13.720 3.418 -3.703 575 HZ2 LYS 65 1HZ LYS 65 -12.656 2.144 -3.378 576 HZ3 LYS 65 2HZ LYS 65 -14.316 1.847 -3.508 577 H GLU 66 HN GLU 66 -16.557 3.061 -6.981 578 HA GLU 66 HA GLU 66 -16.425 0.405 -6.114 579 HB2 GLU 66 1HB GLU 66 -18.729 2.310 -5.680 580 HB3 GLU 66 2HB GLU 66 -18.298 0.929 -4.682 581 HG2 GLU 66 1HG GLU 66 -16.243 2.016 -4.009 582 HG3 GLU 66 2HG GLU 66 -16.595 3.380 -5.068 583 H ALA 67 HN ALA 67 -18.815 2.037 -8.164 584 HA ALA 67 HA ALA 67 -20.537 -0.179 -8.469 585 HB1 ALA 67 1HB ALA 67 -21.671 1.082 -10.069 586 HB2 ALA 67 2HB ALA 67 -20.976 2.295 -8.993 587 HB3 ALA 67 3HB ALA 67 -20.217 1.957 -10.548 588 H VAL 68 HN VAL 68 -18.058 1.142 -10.669 589 HA VAL 68 HA VAL 68 -18.251 -0.814 -12.646 590 HB VAL 68 HB VAL 68 -15.776 0.710 -11.820 591 HG11 VAL 68 1HG1 VAL 68 -16.098 -1.363 -13.692 592 HG12 VAL 68 2HG1 VAL 68 -15.963 0.133 -14.619 593 HG13 VAL 68 3HG1 VAL 68 -14.699 -0.312 -13.471 594 HG21 VAL 68 3HG2 VAL 68 -17.388 2.338 -12.302 595 HG22 VAL 68 1HG2 VAL 68 -16.496 2.150 -13.811 596 HG23 VAL 68 2HG2 VAL 68 -18.078 1.394 -13.622 597 H ALA 69 HN ALA 69 -16.179 -0.691 -9.768 598 HA ALA 69 HA ALA 69 -14.870 -3.165 -10.313 599 HB1 ALA 69 1HB ALA 69 -15.076 -2.026 -7.558 600 HB2 ALA 69 2HB ALA 69 -13.720 -2.841 -8.338 601 HB3 ALA 69 3HB ALA 69 -14.134 -1.188 -8.792 602 H LYS 70 HN LYS 70 -17.852 -2.279 -8.802 603 HA LYS 70 HA LYS 70 -18.237 -4.589 -7.214 604 HB2 LYS 70 1HB LYS 70 -19.567 -2.653 -6.763 605 HB3 LYS 70 2HB LYS 70 -20.172 -2.609 -8.414 606 HG2 LYS 70 1HG LYS 70 -21.867 -3.437 -6.892 607 HG3 LYS 70 2HG LYS 70 -21.381 -4.697 -8.029 608 HD2 LYS 70 1HD LYS 70 -21.578 -5.639 -5.812 609 HD3 LYS 70 2HD LYS 70 -19.882 -5.631 -6.300 610 HE2 LYS 70 1HE LYS 70 -19.305 -4.279 -4.618 611 HE3 LYS 70 2HE LYS 70 -20.657 -3.190 -4.926 612 HZ1 LYS 70 3HZ LYS 70 -21.800 -4.076 -3.259 613 HZ2 LYS 70 1HZ LYS 70 -20.389 -4.885 -2.796 614 HZ3 LYS 70 2HZ LYS 70 -21.520 -5.658 -3.787 615 H ILE 71 HN ILE 71 -19.364 -3.737 -10.478 616 HA ILE 71 HA ILE 71 -20.629 -6.257 -10.921 617 HB ILE 71 HB ILE 71 -19.725 -4.399 -13.105 618 HG12 ILE 71 1HG1 ILE 71 -20.795 -2.946 -11.527 619 HG13 ILE 71 2HG1 ILE 71 -21.955 -3.268 -12.811 620 HG21 ILE 71 1HG2 ILE 71 -21.109 -5.553 -14.435 621 HG22 ILE 71 2HG2 ILE 71 -21.030 -6.792 -13.184 622 HG23 ILE 71 3HG2 ILE 71 -22.369 -5.646 -13.205 623 HD11 ILE 71 3HD1 ILE 71 -23.044 -4.936 -11.385 624 HD12 ILE 71 1HD1 ILE 71 -21.902 -4.561 -10.095 625 HD13 ILE 71 2HD1 ILE 71 -23.036 -3.331 -10.654 626 H VAL 72 HN VAL 72 -17.492 -4.870 -11.755 627 HA VAL 72 HA VAL 72 -16.607 -6.928 -13.457 628 HB VAL 72 HB VAL 72 -15.152 -4.892 -11.794 629 HG11 VAL 72 1HG1 VAL 72 -14.057 -7.294 -13.131 630 HG12 VAL 72 2HG1 VAL 72 -13.182 -5.779 -13.367 631 HG13 VAL 72 3HG1 VAL 72 -13.456 -6.397 -11.737 632 HG21 VAL 72 3HG2 VAL 72 -16.244 -4.047 -13.767 633 HG22 VAL 72 1HG2 VAL 72 -14.501 -4.060 -14.040 634 HG23 VAL 72 2HG2 VAL 72 -15.516 -5.310 -14.759 635 H ASP 73 HN ASP 73 -16.350 -6.488 -9.959 636 HA ASP 73 HA ASP 73 -14.738 -8.803 -9.533 637 HB2 ASP 73 1HB ASP 73 -16.281 -6.941 -7.761 638 HB3 ASP 73 2HB ASP 73 -15.652 -8.449 -7.104 639 H ASP 74 HN ASP 74 -18.195 -8.112 -9.064 640 HA ASP 74 HA ASP 74 -18.916 -10.671 -8.154 641 HB2 ASP 74 1HB ASP 74 -20.471 -8.457 -9.479 642 HB3 ASP 74 2HB ASP 74 -21.236 -9.973 -9.011 643 H THR 75 HN THR 75 -18.715 -9.300 -11.397 644 HA THR 75 HA THR 75 -19.892 -11.491 -12.751 645 HB THR 75 HB THR 75 -17.988 -9.364 -13.746 646 HG1 THR 75 1HG THR 75 -20.739 -9.594 -14.355 647 HG21 THR 75 3HG2 THR 75 -17.781 -11.206 -15.247 648 HG22 THR 75 1HG2 THR 75 -18.861 -10.040 -16.010 649 HG23 THR 75 2HG2 THR 75 -19.522 -11.485 -15.244 650 H TYR 76 HN TYR 76 -16.509 -10.604 -12.121 651 HA TYR 76 HA TYR 76 -15.352 -12.777 -13.489 652 HB2 TYR 76 1HB TYR 76 -14.268 -10.597 -12.568 653 HB3 TYR 76 2HB TYR 76 -14.068 -11.520 -11.083 654 HD1 TYR 76 2HD TYR 76 -13.707 -12.530 -14.659 655 HD2 TYR 76 1HD TYR 76 -11.812 -12.014 -10.885 656 HE1 TYR 76 2HE TYR 76 -11.648 -13.528 -15.562 657 HE2 TYR 76 1HE TYR 76 -9.748 -13.009 -11.778 658 HH TYR 76 HH TYR 76 -8.722 -13.227 -14.230 659 H ARG 77 HN ARG 77 -16.026 -12.311 -10.023 660 HA ARG 77 HA ARG 77 -15.135 -14.836 -9.182 661 HB2 ARG 77 1HB ARG 77 -16.229 -14.382 -7.112 662 HB3 ARG 77 2HB ARG 77 -15.614 -12.849 -7.714 663 HG2 ARG 77 1HG ARG 77 -17.861 -12.305 -8.558 664 HG3 ARG 77 2HG ARG 77 -18.460 -13.818 -7.874 665 HD2 ARG 77 1HD ARG 77 -18.899 -11.867 -6.425 666 HD3 ARG 77 2HD ARG 77 -17.890 -13.086 -5.648 667 HE ARG 77 HE ARG 77 -16.412 -10.981 -6.944 668 HH11 ARG 77 1HH1 ARG 77 -17.979 -12.018 -4.013 669 HH12 ARG 77 2HH1 ARG 77 -17.046 -10.975 -2.991 670 HH21 ARG 77 1HH2 ARG 77 -15.178 -9.604 -5.609 671 HH22 ARG 77 2HH2 ARG 77 -15.453 -9.602 -3.900 672 H LYS 78 HN LYS 78 -18.219 -13.742 -10.446 673 HA LYS 78 HA LYS 78 -19.593 -16.195 -9.846 674 HB2 LYS 78 1HB LYS 78 -20.748 -13.998 -10.012 675 HB3 LYS 78 2HB LYS 78 -20.391 -13.971 -11.734 676 HG2 LYS 78 1HG LYS 78 -21.650 -16.186 -11.854 677 HG3 LYS 78 2HG LYS 78 -22.236 -15.798 -10.235 678 HD2 LYS 78 1HD LYS 78 -23.899 -14.979 -11.664 679 HD3 LYS 78 2HD LYS 78 -22.952 -13.551 -11.237 680 HE2 LYS 78 1HE LYS 78 -22.958 -13.211 -13.466 681 HE3 LYS 78 2HE LYS 78 -21.625 -14.363 -13.437 682 HZ1 LYS 78 3HZ LYS 78 -24.353 -15.405 -13.659 683 HZ2 LYS 78 1HZ LYS 78 -22.910 -16.016 -14.296 684 HZ3 LYS 78 2HZ LYS 78 -23.662 -14.689 -15.026 685 H MET 79 HN MET 79 -17.652 -14.981 -12.434 686 HA MET 79 HA MET 79 -18.606 -16.754 -14.458 687 HB2 MET 79 1HB MET 79 -17.430 -14.622 -14.944 688 HB3 MET 79 2HB MET 79 -15.952 -15.316 -14.291 689 HG2 MET 79 1HG MET 79 -15.490 -15.966 -16.357 690 HG3 MET 79 2HG MET 79 -16.760 -17.171 -16.159 691 HE1 MET 79 3HE MET 79 -17.121 -13.066 -18.101 692 HE2 MET 79 1HE MET 79 -15.930 -13.627 -16.928 693 HE3 MET 79 2HE MET 79 -15.790 -14.101 -18.620 694 H GLN 80 HN GLN 80 -15.565 -16.694 -12.589 695 HA GLN 80 HA GLN 80 -15.586 -19.602 -12.491 696 HB2 GLN 80 1HB GLN 80 -12.921 -18.969 -13.129 697 HB3 GLN 80 2HB GLN 80 -14.069 -19.879 -14.102 698 HG2 GLN 80 1HG GLN 80 -13.309 -18.207 -15.525 699 HG3 GLN 80 2HG GLN 80 -14.871 -17.616 -14.960 700 HE21 GLN 80 1HE2 GLN 80 -11.627 -17.608 -13.529 701 HE22 GLN 80 2HE2 GLN 80 -11.556 -15.901 -13.274 702 H ILE 81 HN ILE 81 -15.692 -17.150 -10.695 703 HA ILE 81 HA ILE 81 -15.061 -16.660 -8.563 704 HB ILE 81 HB ILE 81 -13.452 -19.213 -8.658 705 HG12 ILE 81 1HG1 ILE 81 -16.292 -18.770 -7.713 706 HG13 ILE 81 2HG1 ILE 81 -15.835 -19.587 -9.204 707 HG21 ILE 81 1HG2 ILE 81 -12.915 -18.841 -6.531 708 HG22 ILE 81 2HG2 ILE 81 -13.520 -17.200 -6.749 709 HG23 ILE 81 3HG2 ILE 81 -14.582 -18.452 -6.108 710 HD11 ILE 81 3HD1 ILE 81 -15.695 -20.524 -6.401 711 HD12 ILE 81 1HD1 ILE 81 -16.149 -21.389 -7.868 712 HD13 ILE 81 2HD1 ILE 81 -14.448 -21.080 -7.517 713 H GLN 82 HN GLN 82 -12.119 -18.353 -9.615 714 HA GLN 82 HA GLN 82 -9.959 -17.671 -9.820 715 HB2 GLN 82 1HB GLN 82 -11.387 -15.992 -11.380 716 HB3 GLN 82 2HB GLN 82 -10.667 -14.833 -10.271 717 HG2 GLN 82 1HG GLN 82 -9.357 -15.176 -12.333 718 HG3 GLN 82 2HG GLN 82 -8.460 -15.543 -10.861 719 HE21 GLN 82 1HE2 GLN 82 -7.688 -17.560 -10.542 720 HE22 GLN 82 2HE2 GLN 82 -7.859 -18.856 -11.671 721 H CYS 83 HN CYS 83 -8.318 -15.998 -8.976 722 HA CYS 83 HA CYS 83 -8.756 -15.755 -6.144 723 HB2 CYS 83 1HB CYS 83 -6.400 -14.842 -7.808 724 HB3 CYS 83 2HB CYS 83 -6.436 -14.995 -6.056 725 HG CYS 83 HG CYS 83 -6.834 -17.812 -6.166 726 H ALA 84 HN ALA 84 -10.660 -14.233 -6.867 727 HA ALA 84 HA ALA 84 -10.362 -11.661 -7.742 728 HB1 ALA 84 1HB ALA 84 -12.381 -13.122 -6.523 729 HB2 ALA 84 2HB ALA 84 -12.152 -11.725 -5.471 730 HB3 ALA 84 3HB ALA 84 -12.509 -11.490 -7.182 731 HA PRO 85 HA PRO 85 -7.503 -10.168 -4.595 732 HB2 PRO 85 1HB PRO 85 -6.881 -7.886 -5.927 733 HB3 PRO 85 2HB PRO 85 -6.162 -9.452 -6.317 734 HG2 PRO 85 1HG PRO 85 -8.423 -8.020 -7.657 735 HG3 PRO 85 2HG PRO 85 -7.063 -8.893 -8.387 736 HD2 PRO 85 1HD PRO 85 -9.532 -9.979 -8.150 737 HD3 PRO 85 2HD PRO 85 -8.050 -10.952 -8.067 738 H ASP 86 HN ASP 86 -10.505 -9.024 -5.646 739 HA ASP 86 HA ASP 86 -12.058 -7.648 -4.713 740 HB2 ASP 86 1HB ASP 86 -11.204 -8.782 -2.600 741 HB3 ASP 86 2HB ASP 86 -10.206 -7.352 -2.349 742 H LEU 87 HN LEU 87 -10.478 -6.470 -6.544 743 HA LEU 87 HA LEU 87 -9.866 -4.436 -7.356 744 HB2 LEU 87 1HB LEU 87 -11.990 -3.802 -6.133 745 HB3 LEU 87 2HB LEU 87 -10.957 -3.261 -4.811 746 HG LEU 87 HG LEU 87 -9.958 -1.577 -6.249 747 HD11 LEU 87 1HD1 LEU 87 -11.208 -3.158 -8.328 748 HD12 LEU 87 2HD1 LEU 87 -9.910 -1.969 -8.437 749 HD13 LEU 87 3HD1 LEU 87 -11.593 -1.443 -8.477 750 HD21 LEU 87 3HD2 LEU 87 -11.691 -0.536 -5.226 751 HD22 LEU 87 1HD2 LEU 87 -12.879 -1.705 -5.804 752 HD23 LEU 87 2HD2 LEU 87 -12.292 -0.440 -6.883 753 H ALA 88 HN ALA 88 -7.940 -5.923 -5.978 754 HA ALA 88 HA ALA 88 -5.891 -5.779 -4.985 755 HB1 ALA 88 1HB ALA 88 -5.127 -4.537 -6.765 756 HB2 ALA 88 2HB ALA 88 -6.198 -3.179 -6.418 757 HB3 ALA 88 3HB ALA 88 -4.775 -3.458 -5.415 758 H THR 89 HN THR 89 -7.823 -5.568 -3.113 759 HA THR 89 HA THR 89 -8.141 -4.977 -0.936 760 HB THR 89 HB THR 89 -5.778 -3.214 -0.742 761 HG1 THR 89 1HG THR 89 -4.319 -4.909 -0.982 762 HG21 THR 89 3HG2 THR 89 -7.291 -5.099 0.882 763 HG22 THR 89 1HG2 THR 89 -6.280 -3.742 1.376 764 HG23 THR 89 2HG2 THR 89 -5.548 -5.312 1.041 765 H ARG 90 HN ARG 90 -9.849 -3.664 -0.780 766 HA ARG 90 HA ARG 90 -9.671 -0.913 -1.732 767 HB2 ARG 90 1HB ARG 90 -11.843 -2.824 -1.169 768 HB3 ARG 90 2HB ARG 90 -12.192 -1.157 -0.732 769 HG2 ARG 90 1HG ARG 90 -11.084 -0.950 -3.252 770 HG3 ARG 90 2HG ARG 90 -12.074 -2.409 -3.341 771 HD2 ARG 90 1HD ARG 90 -12.955 0.352 -2.517 772 HD3 ARG 90 2HD ARG 90 -13.422 -0.527 -3.972 773 HE ARG 90 HE ARG 90 -14.568 -0.784 -1.371 774 HH11 ARG 90 1HH1 ARG 90 -13.859 -2.508 -4.311 775 HH12 ARG 90 2HH1 ARG 90 -15.135 -3.660 -4.097 776 HH21 ARG 90 1HH2 ARG 90 -16.251 -2.295 -1.078 777 HH22 ARG 90 2HH2 ARG 90 -16.496 -3.538 -2.258 778 H SER 91 HN SER 91 -8.362 -2.012 0.773 779 HA SER 91 HA SER 91 -9.560 -0.113 2.683 780 HB2 SER 91 1HB SER 91 -7.797 -2.279 3.697 781 HB3 SER 91 2HB SER 91 -9.246 -1.576 4.414 782 HG SER 91 HG SER 91 -9.140 -3.858 3.279 783 H HIS 92 HN HIS 92 -7.486 0.308 0.592 784 HA HIS 92 HA HIS 92 -4.956 0.561 1.866 785 HB2 HIS 92 1HB HIS 92 -6.132 1.249 -0.738 786 HB3 HIS 92 2HB HIS 92 -4.863 2.349 -0.208 787 HD1 HIS 92 1HD HIS 92 -4.588 -1.228 0.764 788 HD2 HIS 92 2HD HIS 92 -3.149 1.305 -2.198 789 HE1 HIS 92 1HE HIS 92 -2.724 -2.492 -0.355 790 H SER 93 HN SER 93 -7.738 2.652 1.517 791 HA SER 93 HA SER 93 -7.070 4.286 3.681 792 HB2 SER 93 1HB SER 93 -5.440 5.539 2.714 793 HB3 SER 93 2HB SER 93 -5.954 5.127 1.078 794 HG SER 93 HG SER 93 -7.009 6.933 1.011 795 H GLY 94 HN GLY 94 -8.714 5.732 4.197 796 HA2 GLY 94 2HA GLY 94 -11.116 5.456 2.520 797 HA3 GLY 94 3HA GLY 94 -11.110 5.830 4.237 798 H SER 95 HN SER 95 -11.635 7.849 4.701 799 HA SER 95 HA SER 95 -11.801 10.119 4.609 800 HB2 SER 95 1HB SER 95 -9.946 10.378 2.296 801 HB3 SER 95 2HB SER 95 -10.034 11.325 3.781 802 HG SER 95 HG SER 95 -9.055 9.596 4.873 803 H ASP 96 HN ASP 96 -13.007 8.087 2.540 804 HA ASP 96 HA ASP 96 -14.122 10.156 0.761 805 HB2 ASP 96 1HB ASP 96 -13.489 7.259 0.227 806 HB3 ASP 96 2HB ASP 96 -14.605 8.170 -0.787 807 H PHE 97 HN PHE 97 -14.788 8.261 3.358 808 HA PHE 97 HA PHE 97 -17.603 7.855 2.617 809 HB2 PHE 97 1HB PHE 97 -15.732 6.265 4.068 810 HB3 PHE 97 2HB PHE 97 -17.021 6.735 5.173 811 HD1 PHE 97 2HD PHE 97 -16.190 4.877 2.133 812 HD2 PHE 97 1HD PHE 97 -19.275 5.950 4.862 813 HE1 PHE 97 2HE PHE 97 -17.631 3.119 1.191 814 HE2 PHE 97 1HE PHE 97 -20.720 4.193 3.925 815 HZ PHE 97 HZ PHE 97 -19.899 2.776 2.086 816 H SER 98 HN SER 98 -15.959 10.284 3.745 817 HA SER 98 HA SER 98 -18.110 11.500 5.096 818 HB2 SER 98 1HB SER 98 -17.184 11.674 7.358 819 HB3 SER 98 2HB SER 98 -17.443 9.984 6.926 820 HG SER 98 HG SER 98 -15.103 11.335 7.446 821 H PHE 99 HN PHE 99 -16.496 12.222 2.977 822 HA PHE 99 HA PHE 99 -15.539 14.780 3.882 823 HB2 PHE 99 1HB PHE 99 -13.628 12.982 4.093 824 HB3 PHE 99 2HB PHE 99 -13.510 13.202 2.350 825 HD1 PHE 99 2HD PHE 99 -13.681 15.236 5.472 826 HD2 PHE 99 1HD PHE 99 -12.068 14.801 1.557 827 HE1 PHE 99 2HE PHE 99 -12.294 17.237 5.825 828 HE2 PHE 99 1HE PHE 99 -10.677 16.800 1.905 829 HZ PHE 99 HZ PHE 99 -10.789 18.022 4.041 830 H ARG 100 HN ARG 100 -17.638 14.404 2.303 831 HA ARG 100 HA ARG 100 -16.728 15.484 -0.247 832 HB2 ARG 100 1HB ARG 100 -16.953 13.085 -0.676 833 HB3 ARG 100 2HB ARG 100 -18.595 13.114 -0.046 834 HG2 ARG 100 1HG ARG 100 -18.577 13.078 -2.477 835 HG3 ARG 100 2HG ARG 100 -19.281 14.577 -1.866 836 HD2 ARG 100 1HD ARG 100 -16.373 14.603 -2.385 837 HD3 ARG 100 2HD ARG 100 -17.419 14.490 -3.800 838 HE ARG 100 HE ARG 100 -18.223 16.558 -1.994 839 HH11 ARG 100 1HH1 ARG 100 -16.035 15.754 -4.579 840 HH12 ARG 100 2HH1 ARG 100 -15.839 17.396 -5.099 841 HH21 ARG 100 1HH2 ARG 100 -17.974 18.723 -2.668 842 HH22 ARG 100 2HH2 ARG 100 -16.942 19.083 -4.010 843 HA PRO 101 HA PRO 101 -20.235 17.900 1.412 844 HB2 PRO 101 1HB PRO 101 -19.382 20.248 0.350 845 HB3 PRO 101 2HB PRO 101 -18.780 19.614 1.886 846 HG2 PRO 101 1HG PRO 101 -17.536 19.486 -0.834 847 HG3 PRO 101 2HG PRO 101 -16.776 19.841 0.728 848 HD2 PRO 101 1HD PRO 101 -16.617 17.408 -0.450 849 HD3 PRO 101 2HD PRO 101 -16.646 17.615 1.313 850 H ILE 102 HN ILE 102 -21.413 19.802 0.041 851 HA ILE 102 HA ILE 102 -21.725 18.950 -2.741 852 HB ILE 102 HB ILE 102 -24.191 19.413 -1.103 853 HG12 ILE 102 1HG1 ILE 102 -22.507 16.940 -1.228 854 HG13 ILE 102 2HG1 ILE 102 -23.371 17.633 0.141 855 HG21 ILE 102 1HG2 ILE 102 -23.935 17.558 -3.425 856 HG22 ILE 102 2HG2 ILE 102 -25.324 18.500 -2.885 857 HG23 ILE 102 3HG2 ILE 102 -23.982 19.299 -3.705 858 HD11 ILE 102 3HD1 ILE 102 -25.487 17.005 -1.228 859 HD12 ILE 102 1HD1 ILE 102 -24.388 15.908 -2.064 860 HD13 ILE 102 2HD1 ILE 102 -24.620 15.766 -0.321 861 H GLU 103 HN GLU 103 -20.536 21.289 -1.562 862 HA GLU 103 HA GLU 103 -22.121 23.538 -1.422 863 HB2 GLU 103 1HB GLU 103 -19.650 23.405 -0.981 864 HB3 GLU 103 2HB GLU 103 -19.396 23.443 -2.720 865 HG2 GLU 103 1HG GLU 103 -19.140 25.646 -2.274 866 HG3 GLU 103 2HG GLU 103 -20.884 25.618 -2.525 867 H GLU 104 HN GLU 104 -21.090 21.750 -4.239 868 HA GLU 104 HA GLU 104 -23.108 22.741 -5.893 869 HB2 GLU 104 1HB GLU 104 -21.148 24.649 -5.595 870 HB3 GLU 104 2HB GLU 104 -20.662 23.836 -7.076 871 HG2 GLU 104 1HG GLU 104 -22.461 24.571 -8.242 872 HG3 GLU 104 2HG GLU 104 -23.511 24.593 -6.825 873 H ALA 105 HN ALA 105 -21.817 20.279 -5.229 874 HA ALA 105 HA ALA 105 -21.068 18.351 -6.182 875 HB1 ALA 105 1HB ALA 105 -21.860 17.843 -8.358 876 HB2 ALA 105 2HB ALA 105 -23.070 18.888 -7.612 877 HB3 ALA 105 3HB ALA 105 -21.946 19.548 -8.800 Start of MODEL 14 1 H1 GLY -5 HN GLY -5 2.867 8.299 -3.702 2 HA2 GLY -5 2HA GLY -5 1.975 6.018 -3.493 3 HA3 GLY -5 3HA GLY -5 3.641 6.063 -2.935 4 H SER -4 HN SER -4 0.513 5.189 -2.152 5 HA SER -4 HA SER -4 1.188 4.082 0.323 6 HB2 SER -4 1HB SER -4 0.292 6.885 0.412 7 HB3 SER -4 2HB SER -4 -0.585 5.804 1.495 8 HG SER -4 HG SER -4 2.220 6.217 1.381 9 H HIS -3 HN HIS -3 -1.610 5.790 -1.087 10 HA HIS -3 HA HIS -3 -3.049 3.252 -1.211 11 HB2 HIS -3 1HB HIS -3 -4.427 5.666 -0.060 12 HB3 HIS -3 2HB HIS -3 -4.931 3.979 -0.001 13 HD1 HIS -3 1HD HIS -3 -3.217 2.415 1.504 14 HD2 HIS -3 2HD HIS -3 -3.235 6.509 2.216 15 HE1 HIS -3 1HE HIS -3 -2.190 2.707 3.781 16 H MET -2 HN MET -2 -3.069 3.274 -3.424 17 HA MET -2 HA MET -2 -4.715 5.372 -4.656 18 HB2 MET -2 1HB MET -2 -1.982 4.470 -5.448 19 HB3 MET -2 2HB MET -2 -3.118 4.908 -6.717 20 HG2 MET -2 1HG MET -2 -3.421 7.037 -5.147 21 HG3 MET -2 2HG MET -2 -1.773 6.599 -4.702 22 HE1 MET -2 3HE MET -2 -0.475 5.440 -6.687 23 HE2 MET -2 1HE MET -2 -1.035 5.589 -8.353 24 HE3 MET -2 2HE MET -2 0.234 6.656 -7.751 25 H ALA -1 HN ALA -1 -3.008 2.586 -6.034 26 HA ALA -1 HA ALA -1 -3.745 0.698 -7.074 27 HB1 ALA -1 1HB ALA -1 -5.580 -0.434 -6.223 28 HB2 ALA -1 2HB ALA -1 -5.087 0.583 -4.868 29 HB3 ALA -1 3HB ALA -1 -6.461 1.053 -5.869 30 H SER 1 HN SER 1 -4.474 3.619 -7.923 31 HA SER 1 HA SER 1 -6.797 3.612 -9.443 32 HB2 SER 1 1HB SER 1 -4.178 5.038 -9.961 33 HB3 SER 1 2HB SER 1 -5.688 5.394 -10.801 34 HG SER 1 HG SER 1 -5.264 5.575 -7.998 35 H ALA 2 HN ALA 2 -3.484 2.967 -10.602 36 HA ALA 2 HA ALA 2 -4.235 2.159 -13.185 37 HB1 ALA 2 1HB ALA 2 -1.931 0.922 -13.020 38 HB2 ALA 2 2HB ALA 2 -2.005 2.684 -13.052 39 HB3 ALA 2 3HB ALA 2 -1.784 1.839 -11.520 40 H ASP 3 HN ASP 3 -4.343 0.520 -10.158 41 HA ASP 3 HA ASP 3 -4.357 -2.141 -11.247 42 HB2 ASP 3 1HB ASP 3 -3.661 -1.422 -8.870 43 HB3 ASP 3 2HB ASP 3 -5.388 -1.378 -8.523 44 H LEU 4 HN LEU 4 -6.785 0.152 -10.081 45 HA LEU 4 HA LEU 4 -8.996 -1.606 -10.388 46 HB2 LEU 4 1HB LEU 4 -8.978 0.401 -8.934 47 HB3 LEU 4 2HB LEU 4 -8.975 1.409 -10.380 48 HG LEU 4 HG LEU 4 -11.183 -0.561 -9.978 49 HD11 LEU 4 1HD1 LEU 4 -12.451 1.186 -8.769 50 HD12 LEU 4 2HD1 LEU 4 -10.963 2.121 -8.623 51 HD13 LEU 4 3HD1 LEU 4 -11.093 0.544 -7.845 52 HD21 LEU 4 3HD2 LEU 4 -11.420 0.448 -12.024 53 HD22 LEU 4 1HD2 LEU 4 -10.703 1.966 -11.482 54 HD23 LEU 4 2HD2 LEU 4 -12.351 1.552 -11.009 55 H VAL 5 HN VAL 5 -7.517 0.850 -12.453 56 HA VAL 5 HA VAL 5 -9.481 0.713 -14.507 57 HB VAL 5 HB VAL 5 -6.622 1.684 -14.610 58 HG11 VAL 5 1HG1 VAL 5 -7.595 2.976 -16.627 59 HG12 VAL 5 2HG1 VAL 5 -7.131 1.287 -16.841 60 HG13 VAL 5 3HG1 VAL 5 -8.829 1.716 -16.633 61 HG21 VAL 5 3HG2 VAL 5 -7.403 3.420 -13.458 62 HG22 VAL 5 1HG2 VAL 5 -8.420 3.810 -14.845 63 HG23 VAL 5 2HG2 VAL 5 -9.053 2.804 -13.542 64 H SER 6 HN SER 6 -6.187 -0.622 -14.249 65 HA SER 6 HA SER 6 -6.190 -2.002 -16.682 66 HB2 SER 6 1HB SER 6 -4.700 -2.566 -14.111 67 HB3 SER 6 2HB SER 6 -4.377 -3.392 -15.635 68 HG SER 6 HG SER 6 -3.081 -1.767 -15.958 69 H SER 7 HN SER 7 -7.223 -3.002 -13.453 70 HA SER 7 HA SER 7 -7.766 -5.702 -14.149 71 HB2 SER 7 1HB SER 7 -7.414 -5.148 -11.833 72 HB3 SER 7 2HB SER 7 -8.736 -3.981 -11.858 73 HG SER 7 HG SER 7 -9.017 -6.776 -12.276 74 H CYS 8 HN CYS 8 -9.899 -2.891 -13.662 75 HA CYS 8 HA CYS 8 -12.305 -4.136 -14.309 76 HB2 CYS 8 1HB CYS 8 -11.356 -1.292 -14.429 77 HB3 CYS 8 2HB CYS 8 -12.950 -1.714 -15.043 78 HG CYS 8 HG CYS 8 -13.556 -2.987 -12.459 79 H LYS 9 HN LYS 9 -9.930 -2.547 -16.389 80 HA LYS 9 HA LYS 9 -11.411 -2.682 -18.781 81 HB2 LYS 9 1HB LYS 9 -9.552 -1.215 -18.738 82 HB3 LYS 9 2HB LYS 9 -8.461 -2.488 -18.206 83 HG2 LYS 9 1HG LYS 9 -9.694 -3.142 -20.737 84 HG3 LYS 9 2HG LYS 9 -8.845 -1.595 -20.801 85 HD2 LYS 9 1HD LYS 9 -6.853 -2.598 -20.766 86 HD3 LYS 9 2HD LYS 9 -7.307 -3.594 -19.381 87 HE2 LYS 9 1HE LYS 9 -7.668 -5.377 -20.672 88 HE3 LYS 9 2HE LYS 9 -8.636 -4.445 -21.813 89 HZ1 LYS 9 3HZ LYS 9 -6.790 -5.229 -23.008 90 HZ2 LYS 9 1HZ LYS 9 -5.697 -4.803 -21.789 91 HZ3 LYS 9 2HZ LYS 9 -6.454 -3.599 -22.705 92 H ASP 10 HN ASP 10 -8.811 -4.796 -17.566 93 HA ASP 10 HA ASP 10 -8.759 -6.657 -19.594 94 HB2 ASP 10 1HB ASP 10 -7.106 -6.820 -17.904 95 HB3 ASP 10 2HB ASP 10 -8.314 -6.959 -16.628 96 H LYS 11 HN LYS 11 -10.761 -6.781 -16.650 97 HA LYS 11 HA LYS 11 -12.160 -9.124 -17.381 98 HB2 LYS 11 1HB LYS 11 -11.956 -8.043 -15.066 99 HB3 LYS 11 2HB LYS 11 -13.248 -6.967 -15.581 100 HG2 LYS 11 1HG LYS 11 -14.010 -9.659 -16.136 101 HG3 LYS 11 2HG LYS 11 -13.462 -9.542 -14.462 102 HD2 LYS 11 1HD LYS 11 -15.876 -9.117 -14.683 103 HD3 LYS 11 2HD LYS 11 -15.008 -7.714 -14.056 104 HE2 LYS 11 1HE LYS 11 -15.008 -6.721 -16.293 105 HE3 LYS 11 2HE LYS 11 -15.870 -8.125 -16.919 106 HZ1 LYS 11 3HZ LYS 11 -17.508 -6.528 -16.541 107 HZ2 LYS 11 1HZ LYS 11 -16.854 -6.052 -15.055 108 HZ3 LYS 11 2HZ LYS 11 -17.625 -7.550 -15.199 109 H LEU 12 HN LEU 12 -13.039 -5.684 -17.598 110 HA LEU 12 HA LEU 12 -15.580 -5.934 -18.651 111 HB2 LEU 12 1HB LEU 12 -14.507 -3.821 -17.935 112 HB3 LEU 12 2HB LEU 12 -13.535 -3.852 -19.405 113 HG LEU 12 HG LEU 12 -16.205 -4.033 -20.248 114 HD11 LEU 12 1HD1 LEU 12 -17.317 -3.189 -18.472 115 HD12 LEU 12 2HD1 LEU 12 -16.777 -1.656 -19.157 116 HD13 LEU 12 3HD1 LEU 12 -15.890 -2.385 -17.818 117 HD21 LEU 12 3HD2 LEU 12 -15.734 -1.771 -21.152 118 HD22 LEU 12 1HD2 LEU 12 -14.456 -2.940 -21.483 119 HD23 LEU 12 2HD2 LEU 12 -14.245 -1.742 -20.206 120 H ALA 13 HN ALA 13 -12.477 -5.906 -20.365 121 HA ALA 13 HA ALA 13 -13.642 -6.139 -22.959 122 HB1 ALA 13 1HB ALA 13 -10.823 -6.854 -22.185 123 HB2 ALA 13 2HB ALA 13 -11.422 -6.373 -23.773 124 HB3 ALA 13 3HB ALA 13 -11.368 -5.199 -22.458 125 H TYR 14 HN TYR 14 -12.586 -8.397 -20.515 126 HA TYR 14 HA TYR 14 -12.597 -10.686 -22.243 127 HB2 TYR 14 1HB TYR 14 -11.220 -10.527 -20.166 128 HB3 TYR 14 2HB TYR 14 -12.703 -10.607 -19.221 129 HD1 TYR 14 1HD TYR 14 -11.842 -12.542 -22.276 130 HD2 TYR 14 2HD TYR 14 -12.471 -12.634 -18.069 131 HE1 TYR 14 1HE TYR 14 -11.732 -14.998 -22.320 132 HE2 TYR 14 2HE TYR 14 -12.362 -15.091 -18.101 133 HH TYR 14 HH TYR 14 -12.250 -16.913 -19.379 134 H PHE 15 HN PHE 15 -14.974 -8.897 -20.571 135 HA PHE 15 HA PHE 15 -16.894 -11.115 -20.718 136 HB2 PHE 15 1HB PHE 15 -16.647 -8.701 -19.011 137 HB3 PHE 15 2HB PHE 15 -18.281 -9.187 -19.450 138 HD1 PHE 15 1HD PHE 15 -19.148 -11.382 -18.763 139 HD2 PHE 15 2HD PHE 15 -15.343 -9.972 -17.481 140 HE1 PHE 15 1HE PHE 15 -19.124 -13.079 -16.982 141 HE2 PHE 15 2HE PHE 15 -15.312 -11.667 -15.698 142 HZ PHE 15 HZ PHE 15 -17.203 -13.224 -15.447 143 H ARG 16 HN ARG 16 -18.783 -10.952 -21.882 144 HA ARG 16 HA ARG 16 -18.768 -9.486 -24.245 145 HB2 ARG 16 1HB ARG 16 -21.272 -10.471 -22.882 146 HB3 ARG 16 2HB ARG 16 -20.991 -10.269 -24.606 147 HG2 ARG 16 1HG ARG 16 -19.019 -12.028 -23.893 148 HG3 ARG 16 2HG ARG 16 -20.361 -12.508 -22.853 149 HD2 ARG 16 1HD ARG 16 -20.638 -13.769 -24.811 150 HD3 ARG 16 2HD ARG 16 -21.795 -12.447 -24.959 151 HE ARG 16 HE ARG 16 -19.272 -11.871 -26.188 152 HH11 ARG 16 1HH1 ARG 16 -22.352 -13.434 -26.624 153 HH12 ARG 16 2HH1 ARG 16 -22.315 -13.316 -28.352 154 HH21 ARG 16 1HH2 ARG 16 -19.211 -11.709 -28.463 155 HH22 ARG 16 2HH2 ARG 16 -20.528 -12.335 -29.397 156 H ILE 17 HN ILE 17 -20.912 -8.121 -24.781 157 HA ILE 17 HA ILE 17 -20.541 -5.609 -23.628 158 HB ILE 17 HB ILE 17 -23.111 -6.489 -24.929 159 HG12 ILE 17 1HG1 ILE 17 -20.404 -6.006 -26.107 160 HG13 ILE 17 2HG1 ILE 17 -21.604 -7.222 -26.531 161 HG21 ILE 17 1HG2 ILE 17 -22.944 -4.228 -23.853 162 HG22 ILE 17 2HG2 ILE 17 -21.702 -3.832 -25.040 163 HG23 ILE 17 3HG2 ILE 17 -23.341 -4.211 -25.571 164 HD11 ILE 17 3HD1 ILE 17 -22.980 -5.138 -27.313 165 HD12 ILE 17 1HD1 ILE 17 -21.386 -4.387 -27.394 166 HD13 ILE 17 2HD1 ILE 17 -21.727 -5.837 -28.339 167 H LYS 18 HN LYS 18 -22.413 -8.296 -22.565 168 HA LYS 18 HA LYS 18 -24.456 -7.213 -21.105 169 HB2 LYS 18 1HB LYS 18 -23.118 -9.691 -21.205 170 HB3 LYS 18 2HB LYS 18 -23.154 -9.226 -19.509 171 HG2 LYS 18 1HG LYS 18 -25.079 -10.588 -20.088 172 HG3 LYS 18 2HG LYS 18 -25.575 -8.958 -19.625 173 HD2 LYS 18 1HD LYS 18 -25.089 -9.058 -22.449 174 HD3 LYS 18 2HD LYS 18 -26.200 -10.350 -21.990 175 HE2 LYS 18 1HE LYS 18 -27.530 -8.622 -20.742 176 HE3 LYS 18 2HE LYS 18 -26.498 -7.396 -21.477 177 HZ1 LYS 18 3HZ LYS 18 -27.213 -8.163 -23.659 178 HZ2 LYS 18 1HZ LYS 18 -28.539 -7.683 -22.725 179 HZ3 LYS 18 2HZ LYS 18 -28.212 -9.327 -22.946 180 H GLU 19 HN GLU 19 -21.112 -7.688 -19.972 181 HA GLU 19 HA GLU 19 -21.470 -6.533 -17.439 182 HB2 GLU 19 1HB GLU 19 -19.131 -7.156 -19.173 183 HB3 GLU 19 2HB GLU 19 -18.876 -6.057 -17.825 184 HG2 GLU 19 1HG GLU 19 -18.363 -8.416 -17.301 185 HG3 GLU 19 2HG GLU 19 -19.591 -7.708 -16.254 186 H LEU 20 HN LEU 20 -20.190 -5.115 -20.444 187 HA LEU 20 HA LEU 20 -19.748 -2.538 -19.460 188 HB2 LEU 20 1HB LEU 20 -20.405 -3.527 -22.224 189 HB3 LEU 20 2HB LEU 20 -19.997 -1.848 -21.877 190 HG LEU 20 HG LEU 20 -17.817 -2.829 -20.887 191 HD11 LEU 20 1HD1 LEU 20 -18.976 -5.159 -22.345 192 HD12 LEU 20 2HD1 LEU 20 -18.099 -5.110 -20.816 193 HD13 LEU 20 3HD1 LEU 20 -17.229 -4.915 -22.338 194 HD21 LEU 20 3HD2 LEU 20 -18.594 -2.408 -23.717 195 HD22 LEU 20 1HD2 LEU 20 -17.015 -3.127 -23.403 196 HD23 LEU 20 2HD2 LEU 20 -17.416 -1.550 -22.722 197 H LYS 21 HN LYS 21 -22.663 -4.105 -20.577 198 HA LYS 21 HA LYS 21 -24.246 -1.780 -20.899 199 HB2 LYS 21 1HB LYS 21 -24.604 -4.391 -21.492 200 HB3 LYS 21 2HB LYS 21 -25.583 -4.276 -20.035 201 HG2 LYS 21 1HG LYS 21 -25.971 -2.181 -22.089 202 HG3 LYS 21 2HG LYS 21 -26.555 -3.804 -22.463 203 HD2 LYS 21 1HD LYS 21 -28.162 -3.745 -20.849 204 HD3 LYS 21 2HD LYS 21 -27.210 -2.705 -19.786 205 HE2 LYS 21 1HE LYS 21 -28.330 -0.928 -20.504 206 HE3 LYS 21 2HE LYS 21 -27.815 -1.255 -22.158 207 HZ1 LYS 21 3HZ LYS 21 -29.720 -2.563 -22.544 208 HZ2 LYS 21 1HZ LYS 21 -30.278 -1.162 -21.777 209 HZ3 LYS 21 2HZ LYS 21 -30.136 -2.604 -20.905 210 H ASP 22 HN ASP 22 -23.990 -4.108 -18.216 211 HA ASP 22 HA ASP 22 -25.775 -2.837 -16.480 212 HB2 ASP 22 1HB ASP 22 -24.492 -5.158 -16.353 213 HB3 ASP 22 2HB ASP 22 -23.384 -4.221 -15.355 214 H ILE 23 HN ILE 23 -22.292 -2.409 -16.926 215 HA ILE 23 HA ILE 23 -21.883 -0.625 -14.785 216 HB ILE 23 HB ILE 23 -20.356 -0.892 -17.377 217 HG12 ILE 23 1HG1 ILE 23 -19.726 -1.971 -14.623 218 HG13 ILE 23 2HG1 ILE 23 -20.457 -2.918 -15.914 219 HG21 ILE 23 1HG2 ILE 23 -18.506 0.140 -15.909 220 HG22 ILE 23 2HG2 ILE 23 -19.735 1.205 -16.589 221 HG23 ILE 23 3HG2 ILE 23 -19.836 0.709 -14.900 222 HD11 ILE 23 3HD1 ILE 23 -17.724 -2.477 -15.392 223 HD12 ILE 23 1HD1 ILE 23 -18.455 -3.398 -16.706 224 HD13 ILE 23 2HD1 ILE 23 -18.105 -1.683 -16.920 225 H LEU 24 HN LEU 24 -22.149 0.087 -18.274 226 HA LEU 24 HA LEU 24 -22.272 2.875 -17.989 227 HB2 LEU 24 1HB LEU 24 -22.106 2.722 -20.190 228 HB3 LEU 24 2HB LEU 24 -22.390 0.986 -20.090 229 HG LEU 24 HG LEU 24 -24.689 2.908 -20.166 230 HD11 LEU 24 1HD1 LEU 24 -22.758 2.738 -22.183 231 HD12 LEU 24 2HD1 LEU 24 -24.365 3.455 -22.290 232 HD13 LEU 24 3HD1 LEU 24 -24.121 1.767 -22.739 233 HD21 LEU 24 3HD2 LEU 24 -25.739 0.954 -19.923 234 HD22 LEU 24 1HD2 LEU 24 -24.278 0.030 -20.273 235 HD23 LEU 24 2HD2 LEU 24 -25.280 0.630 -21.595 236 H ASN 25 HN ASN 25 -24.690 0.412 -17.640 237 HA ASN 25 HA ASN 25 -26.982 2.047 -17.953 238 HB2 ASN 25 1HB ASN 25 -27.615 -0.143 -18.075 239 HB3 ASN 25 2HB ASN 25 -26.411 -0.667 -16.902 240 HD21 ASN 25 1HD2 ASN 25 -26.897 -0.621 -14.722 241 HD22 ASN 25 2HD2 ASN 25 -28.511 -0.427 -14.137 242 H GLN 26 HN GLN 26 -25.167 0.986 -15.090 243 HA GLN 26 HA GLN 26 -26.807 2.379 -13.233 244 HB2 GLN 26 1HB GLN 26 -24.085 1.117 -13.080 245 HB3 GLN 26 2HB GLN 26 -24.729 2.041 -11.729 246 HG2 GLN 26 1HG GLN 26 -26.531 0.539 -11.440 247 HG3 GLN 26 2HG GLN 26 -26.196 -0.264 -12.973 248 HE21 GLN 26 1HE2 GLN 26 -23.569 -0.743 -12.909 249 HE22 GLN 26 2HE2 GLN 26 -23.158 -1.779 -11.588 250 H LEU 27 HN LEU 27 -23.905 3.193 -15.028 251 HA LEU 27 HA LEU 27 -23.261 5.555 -13.605 252 HB2 LEU 27 1HB LEU 27 -22.590 4.549 -16.352 253 HB3 LEU 27 2HB LEU 27 -22.042 6.125 -15.782 254 HG LEU 27 HG LEU 27 -21.420 3.812 -14.047 255 HD11 LEU 27 1HD1 LEU 27 -19.634 2.997 -15.362 256 HD12 LEU 27 2HD1 LEU 27 -19.832 4.277 -16.558 257 HD13 LEU 27 3HD1 LEU 27 -21.052 3.012 -16.410 258 HD21 LEU 27 3HD2 LEU 27 -19.510 5.894 -15.006 259 HD22 LEU 27 1HD2 LEU 27 -19.600 5.081 -13.443 260 HD23 LEU 27 2HD2 LEU 27 -20.770 6.336 -13.853 261 H GLY 28 HN GLY 28 -25.552 4.830 -16.111 262 HA2 GLY 28 2HA GLY 28 -27.455 6.269 -16.415 263 HA3 GLY 28 3HA GLY 28 -26.424 7.642 -16.038 264 H LEU 29 HN LEU 29 -24.630 5.697 -17.973 265 HA LEU 29 HA LEU 29 -24.502 7.415 -20.126 266 HB2 LEU 29 1HB LEU 29 -23.759 4.594 -19.650 267 HB3 LEU 29 2HB LEU 29 -23.857 5.107 -21.333 268 HG LEU 29 HG LEU 29 -22.302 7.054 -20.505 269 HD11 LEU 29 1HD1 LEU 29 -22.223 6.685 -18.197 270 HD12 LEU 29 2HD1 LEU 29 -20.691 6.053 -18.797 271 HD13 LEU 29 3HD1 LEU 29 -22.002 4.946 -18.391 272 HD21 LEU 29 3HD2 LEU 29 -20.370 5.199 -20.739 273 HD22 LEU 29 1HD2 LEU 29 -21.283 5.835 -22.108 274 HD23 LEU 29 2HD2 LEU 29 -21.741 4.294 -21.383 275 HA PRO 30 HA PRO 30 -27.981 6.747 -22.714 276 HB2 PRO 30 1HB PRO 30 -26.893 6.719 -25.201 277 HB3 PRO 30 2HB PRO 30 -27.028 8.189 -24.228 278 HG2 PRO 30 1HG PRO 30 -24.663 6.400 -24.641 279 HG3 PRO 30 2HG PRO 30 -24.736 8.171 -24.622 280 HD2 PRO 30 1HD PRO 30 -23.888 6.725 -22.495 281 HD3 PRO 30 2HD PRO 30 -24.742 8.272 -22.319 282 H LYS 31 HN LYS 31 -29.007 5.296 -24.267 283 HA LYS 31 HA LYS 31 -28.498 2.577 -23.693 284 HB2 LYS 31 1HB LYS 31 -30.157 3.671 -25.969 285 HB3 LYS 31 2HB LYS 31 -30.297 2.084 -25.224 286 HG2 LYS 31 1HG LYS 31 -31.676 2.854 -23.669 287 HG3 LYS 31 2HG LYS 31 -30.576 4.172 -23.256 288 HD2 LYS 31 1HD LYS 31 -32.470 4.197 -25.605 289 HD3 LYS 31 2HD LYS 31 -32.810 4.938 -24.039 290 HE2 LYS 31 1HE LYS 31 -31.090 6.524 -24.301 291 HE3 LYS 31 2HE LYS 31 -30.361 5.632 -25.635 292 HZ1 LYS 31 3HZ LYS 31 -32.988 7.016 -25.711 293 HZ2 LYS 31 1HZ LYS 31 -32.293 6.155 -26.991 294 HZ3 LYS 31 2HZ LYS 31 -31.558 7.569 -26.426 295 H GLN 32 HN GLN 32 -27.499 4.692 -26.279 296 HA GLN 32 HA GLN 32 -26.580 2.566 -27.987 297 HB2 GLN 32 1HB GLN 32 -25.618 4.392 -29.346 298 HB3 GLN 32 2HB GLN 32 -27.321 4.647 -28.987 299 HG2 GLN 32 1HG GLN 32 -26.600 6.723 -28.510 300 HG3 GLN 32 2HG GLN 32 -26.250 5.993 -26.944 301 HE21 GLN 32 1HE2 GLN 32 -24.140 5.629 -26.345 302 HE22 GLN 32 2HE2 GLN 32 -22.794 6.283 -27.208 303 H GLY 33 HN GLY 33 -24.138 3.253 -28.866 304 HA2 GLY 33 2HA GLY 33 -21.917 3.812 -28.043 305 HA3 GLY 33 3HA GLY 33 -22.425 3.238 -26.462 306 H LYS 34 HN LYS 34 -21.229 2.356 -29.588 307 HA LYS 34 HA LYS 34 -21.561 -0.415 -29.516 308 HB2 LYS 34 1HB LYS 34 -19.506 -0.438 -31.009 309 HB3 LYS 34 2HB LYS 34 -20.855 0.548 -31.558 310 HG2 LYS 34 1HG LYS 34 -19.120 2.140 -29.939 311 HG3 LYS 34 2HG LYS 34 -18.180 1.320 -31.188 312 HD2 LYS 34 1HD LYS 34 -20.673 2.948 -31.678 313 HD3 LYS 34 2HD LYS 34 -19.022 3.523 -31.919 314 HE2 LYS 34 1HE LYS 34 -19.352 1.030 -33.271 315 HE3 LYS 34 2HE LYS 34 -20.668 2.110 -33.730 316 HZ1 LYS 34 3HZ LYS 34 -19.116 3.745 -34.440 317 HZ2 LYS 34 1HZ LYS 34 -18.649 2.279 -35.144 318 HZ3 LYS 34 2HZ LYS 34 -17.805 2.883 -33.809 319 H LYS 35 HN LYS 35 -19.450 -1.871 -29.499 320 HA LYS 35 HA LYS 35 -18.704 -2.251 -26.870 321 HB2 LYS 35 1HB LYS 35 -17.861 -3.271 -29.473 322 HB3 LYS 35 2HB LYS 35 -16.556 -3.262 -28.293 323 HG2 LYS 35 1HG LYS 35 -19.252 -4.534 -27.867 324 HG3 LYS 35 2HG LYS 35 -17.788 -5.391 -28.357 325 HD2 LYS 35 1HD LYS 35 -17.731 -3.701 -25.899 326 HD3 LYS 35 2HD LYS 35 -18.500 -5.288 -25.833 327 HE2 LYS 35 1HE LYS 35 -15.679 -4.751 -26.756 328 HE3 LYS 35 2HE LYS 35 -16.130 -5.356 -25.163 329 HZ1 LYS 35 3HZ LYS 35 -16.280 -6.720 -27.769 330 HZ2 LYS 35 1HZ LYS 35 -17.293 -7.202 -26.502 331 HZ3 LYS 35 2HZ LYS 35 -15.613 -7.268 -26.315 332 H GLN 36 HN GLN 36 -17.135 -0.312 -29.355 333 HA GLN 36 HA GLN 36 -14.800 0.264 -27.827 334 HB2 GLN 36 1HB GLN 36 -16.002 1.271 -30.360 335 HB3 GLN 36 2HB GLN 36 -14.793 2.274 -29.570 336 HG2 GLN 36 1HG GLN 36 -14.350 -0.615 -30.270 337 HG3 GLN 36 2HG GLN 36 -13.925 0.726 -31.332 338 HE21 GLN 36 1HE2 GLN 36 -13.266 -0.813 -28.261 339 HE22 GLN 36 2HE2 GLN 36 -11.700 -0.121 -28.031 340 H ASP 37 HN ASP 37 -17.768 2.088 -28.533 341 HA ASP 37 HA ASP 37 -17.165 4.424 -27.163 342 HB2 ASP 37 1HB ASP 37 -19.506 3.200 -28.299 343 HB3 ASP 37 2HB ASP 37 -19.916 3.934 -26.751 344 H LEU 38 HN LEU 38 -18.787 1.502 -25.946 345 HA LEU 38 HA LEU 38 -19.156 2.421 -23.313 346 HB2 LEU 38 1HB LEU 38 -18.756 -0.442 -24.148 347 HB3 LEU 38 2HB LEU 38 -19.628 0.154 -22.737 348 HG LEU 38 HG LEU 38 -20.657 1.036 -25.360 349 HD11 LEU 38 1HD1 LEU 38 -20.156 -1.211 -25.976 350 HD12 LEU 38 2HD1 LEU 38 -21.884 -1.124 -25.634 351 HD13 LEU 38 3HD1 LEU 38 -20.786 -1.832 -24.449 352 HD21 LEU 38 3HD2 LEU 38 -21.529 1.208 -22.814 353 HD22 LEU 38 1HD2 LEU 38 -22.354 -0.263 -23.333 354 HD23 LEU 38 2HD2 LEU 38 -22.592 1.242 -24.223 355 H ILE 39 HN ILE 39 -16.695 0.177 -24.595 356 HA ILE 39 HA ILE 39 -15.181 -0.141 -22.314 357 HB ILE 39 HB ILE 39 -14.574 -0.295 -25.218 358 HG12 ILE 39 1HG1 ILE 39 -13.587 -2.365 -23.405 359 HG13 ILE 39 2HG1 ILE 39 -15.314 -2.073 -23.233 360 HG21 ILE 39 1HG2 ILE 39 -12.180 -0.931 -24.544 361 HG22 ILE 39 2HG2 ILE 39 -12.586 0.781 -24.650 362 HG23 ILE 39 3HG2 ILE 39 -12.498 -0.008 -23.075 363 HD11 ILE 39 3HD1 ILE 39 -14.190 -3.754 -25.035 364 HD12 ILE 39 1HD1 ILE 39 -15.787 -3.022 -25.197 365 HD13 ILE 39 2HD1 ILE 39 -14.396 -2.292 -26.000 366 H ASP 40 HN ASP 40 -14.753 2.323 -24.848 367 HA ASP 40 HA ASP 40 -12.589 3.649 -23.650 368 HB2 ASP 40 1HB ASP 40 -13.747 3.873 -26.037 369 HB3 ASP 40 2HB ASP 40 -14.558 5.220 -25.243 370 H ARG 41 HN ARG 41 -16.039 3.882 -23.142 371 HA ARG 41 HA ARG 41 -16.048 6.326 -21.718 372 HB2 ARG 41 1HB ARG 41 -17.939 4.163 -22.285 373 HB3 ARG 41 2HB ARG 41 -18.185 4.909 -20.712 374 HG2 ARG 41 1HG ARG 41 -17.868 6.635 -23.122 375 HG3 ARG 41 2HG ARG 41 -19.409 5.834 -22.811 376 HD2 ARG 41 1HD ARG 41 -19.825 7.699 -21.612 377 HD3 ARG 41 2HD ARG 41 -18.906 6.849 -20.370 378 HE ARG 41 HE ARG 41 -17.044 8.234 -21.840 379 HH11 ARG 41 1HH1 ARG 41 -19.882 9.032 -19.988 380 HH12 ARG 41 2HH1 ARG 41 -19.303 10.601 -19.533 381 HH21 ARG 41 1HH2 ARG 41 -16.271 10.297 -21.248 382 HH22 ARG 41 2HH2 ARG 41 -17.250 11.320 -20.251 383 H VAL 42 HN VAL 42 -16.022 2.942 -20.619 384 HA VAL 42 HA VAL 42 -16.007 3.436 -17.872 385 HB VAL 42 HB VAL 42 -14.889 1.143 -19.474 386 HG11 VAL 42 1HG1 VAL 42 -14.852 -0.060 -17.243 387 HG12 VAL 42 2HG1 VAL 42 -13.567 1.117 -17.519 388 HG13 VAL 42 3HG1 VAL 42 -14.940 1.534 -16.493 389 HG21 VAL 42 3HG2 VAL 42 -16.934 0.244 -17.861 390 HG22 VAL 42 1HG2 VAL 42 -17.475 1.852 -18.344 391 HG23 VAL 42 2HG2 VAL 42 -17.067 0.652 -19.571 392 H LEU 43 HN LEU 43 -13.219 2.713 -19.980 393 HA LEU 43 HA LEU 43 -11.238 3.134 -18.057 394 HB2 LEU 43 1HB LEU 43 -10.924 3.711 -20.991 395 HB3 LEU 43 2HB LEU 43 -9.682 3.201 -19.848 396 HG LEU 43 HG LEU 43 -11.830 1.569 -21.155 397 HD11 LEU 43 1HD1 LEU 43 -9.094 1.953 -21.582 398 HD12 LEU 43 2HD1 LEU 43 -10.134 0.730 -22.312 399 HD13 LEU 43 3HD1 LEU 43 -9.242 0.362 -20.836 400 HD21 LEU 43 3HD2 LEU 43 -12.105 0.956 -18.887 401 HD22 LEU 43 1HD2 LEU 43 -10.365 0.967 -18.597 402 HD23 LEU 43 2HD2 LEU 43 -11.082 -0.285 -19.612 403 H ALA 44 HN ALA 44 -12.915 5.381 -20.170 404 HA ALA 44 HA ALA 44 -11.231 7.613 -19.736 405 HB1 ALA 44 1HB ALA 44 -14.101 7.394 -20.615 406 HB2 ALA 44 2HB ALA 44 -13.232 8.926 -20.520 407 HB3 ALA 44 3HB ALA 44 -12.673 7.663 -21.616 408 H LEU 45 HN LEU 45 -13.853 6.212 -17.920 409 HA LEU 45 HA LEU 45 -14.268 8.504 -16.239 410 HB2 LEU 45 1HB LEU 45 -16.156 7.406 -15.877 411 HB3 LEU 45 2HB LEU 45 -15.521 5.980 -16.695 412 HG LEU 45 HG LEU 45 -14.433 5.400 -14.452 413 HD11 LEU 45 1HD1 LEU 45 -15.141 7.846 -13.674 414 HD12 LEU 45 2HD1 LEU 45 -14.998 6.496 -12.549 415 HD13 LEU 45 3HD1 LEU 45 -16.583 6.972 -13.159 416 HD21 LEU 45 3HD2 LEU 45 -16.415 4.280 -15.469 417 HD22 LEU 45 1HD2 LEU 45 -17.445 5.388 -14.562 418 HD23 LEU 45 2HD2 LEU 45 -16.398 4.256 -13.705 419 H LEU 46 HN LEU 46 -12.622 5.381 -15.909 420 HA LEU 46 HA LEU 46 -11.715 5.959 -13.241 421 HB2 LEU 46 1HB LEU 46 -10.558 3.836 -15.007 422 HB3 LEU 46 2HB LEU 46 -10.737 3.844 -13.253 423 HG LEU 46 HG LEU 46 -13.042 3.623 -15.185 424 HD11 LEU 46 1HD1 LEU 46 -11.999 1.618 -15.564 425 HD12 LEU 46 2HD1 LEU 46 -12.988 1.211 -14.161 426 HD13 LEU 46 3HD1 LEU 46 -11.272 1.565 -13.958 427 HD21 LEU 46 3HD2 LEU 46 -13.084 4.383 -12.580 428 HD22 LEU 46 1HD2 LEU 46 -13.256 2.634 -12.429 429 HD23 LEU 46 2HD2 LEU 46 -14.406 3.553 -13.402 430 H THR 47 HN THR 47 -10.719 6.860 -16.324 431 HA THR 47 HA THR 47 -7.946 7.299 -15.443 432 HB THR 47 HB THR 47 -9.086 7.347 -18.245 433 HG1 THR 47 1HG THR 47 -8.900 5.237 -17.375 434 HG21 THR 47 3HG2 THR 47 -7.288 8.653 -18.626 435 HG22 THR 47 1HG2 THR 47 -6.388 7.141 -18.513 436 HG23 THR 47 2HG2 THR 47 -6.511 8.201 -17.109 437 H ASP 48 HN ASP 48 -10.228 8.948 -17.636 438 HA ASP 48 HA ASP 48 -9.078 11.506 -17.141 439 HB2 ASP 48 1HB ASP 48 -11.078 10.380 -18.894 440 HB3 ASP 48 2HB ASP 48 -11.654 11.891 -18.196 441 H GLU 49 HN GLU 49 -11.230 9.598 -15.390 442 HA GLU 49 HA GLU 49 -12.040 11.930 -13.791 443 HB2 GLU 49 1HB GLU 49 -13.739 10.041 -15.172 444 HB3 GLU 49 2HB GLU 49 -14.036 9.994 -13.440 445 HG2 GLU 49 1HG GLU 49 -15.183 11.880 -13.527 446 HG3 GLU 49 2HG GLU 49 -13.847 12.713 -14.320 447 H GLN 50 HN GLN 50 -9.888 9.849 -13.585 448 HA GLN 50 HA GLN 50 -10.415 7.957 -11.625 449 HB2 GLN 50 1HB GLN 50 -8.090 7.757 -11.346 450 HB3 GLN 50 2HB GLN 50 -8.289 8.290 -13.010 451 HG2 GLN 50 1HG GLN 50 -7.915 10.383 -10.951 452 HG3 GLN 50 2HG GLN 50 -6.524 9.377 -11.353 453 HE21 GLN 50 1HE2 GLN 50 -8.925 11.578 -12.650 454 HE22 GLN 50 2HE2 GLN 50 -8.013 12.058 -14.036 455 H GLY 51 HN GLY 51 -10.216 11.376 -11.361 456 HA2 GLY 51 2HA GLY 51 -9.801 11.295 -8.469 457 HA3 GLY 51 3HA GLY 51 -9.877 12.739 -9.468 458 H GLN 52 HN GLN 52 -12.261 10.180 -9.623 459 HA GLN 52 HA GLN 52 -14.342 12.078 -8.974 460 HB2 GLN 52 1HB GLN 52 -14.179 9.423 -10.223 461 HB3 GLN 52 2HB GLN 52 -15.606 9.663 -9.223 462 HG2 GLN 52 1HG GLN 52 -14.751 11.492 -11.453 463 HG3 GLN 52 2HG GLN 52 -15.959 10.217 -11.600 464 HE21 GLN 52 1HE2 GLN 52 -17.385 10.447 -9.326 465 HE22 GLN 52 2HE2 GLN 52 -18.167 11.986 -9.252 466 H ARG 53 HN ARG 53 -12.309 10.398 -7.105 467 HA ARG 53 HA ARG 53 -14.090 9.205 -5.214 468 HB2 ARG 53 1HB ARG 53 -11.178 9.980 -4.964 469 HB3 ARG 53 2HB ARG 53 -12.068 9.020 -3.790 470 HG2 ARG 53 1HG ARG 53 -12.398 7.832 -6.351 471 HG3 ARG 53 2HG ARG 53 -10.681 8.147 -6.090 472 HD2 ARG 53 1HD ARG 53 -10.722 6.931 -4.014 473 HD3 ARG 53 2HD ARG 53 -12.472 6.740 -4.116 474 HE ARG 53 HE ARG 53 -12.152 4.966 -5.520 475 HH11 ARG 53 1HH1 ARG 53 -9.221 6.839 -5.384 476 HH12 ARG 53 2HH1 ARG 53 -8.295 5.699 -6.302 477 HH21 ARG 53 1HH2 ARG 53 -10.943 3.456 -6.729 478 HH22 ARG 53 2HH2 ARG 53 -9.276 3.775 -7.067 479 H HIS 54 HN HIS 54 -13.271 12.386 -5.899 480 HA HIS 54 HA HIS 54 -13.068 13.633 -3.434 481 HB2 HIS 54 1HB HIS 54 -12.743 14.825 -5.541 482 HB3 HIS 54 2HB HIS 54 -14.449 14.637 -5.932 483 HD1 HIS 54 1HD HIS 54 -13.743 15.500 -2.422 484 HD2 HIS 54 2HD HIS 54 -14.543 17.506 -5.971 485 HE1 HIS 54 1HE HIS 54 -14.330 17.851 -1.748 486 H HIS 55 HN HIS 55 -16.078 13.494 -5.347 487 HA HIS 55 HA HIS 55 -17.647 12.609 -3.136 488 HB2 HIS 55 1HB HIS 55 -18.967 14.607 -2.770 489 HB3 HIS 55 2HB HIS 55 -17.268 14.980 -2.489 490 HD1 HIS 55 1HD HIS 55 -19.577 17.037 -3.310 491 HD2 HIS 55 2HD HIS 55 -16.656 15.452 -5.803 492 HE1 HIS 55 1HE HIS 55 -19.350 18.674 -5.206 493 H GLY 56 HN GLY 56 -20.009 12.605 -3.681 494 HA2 GLY 56 2HA GLY 56 -21.694 12.858 -5.422 495 HA3 GLY 56 3HA GLY 56 -20.425 12.574 -6.604 496 H TRP 57 HN TRP 57 -21.308 10.833 -3.631 497 HA TRP 57 HA TRP 57 -21.613 8.408 -5.277 498 HB2 TRP 57 1HB TRP 57 -21.170 7.834 -2.483 499 HB3 TRP 57 2HB TRP 57 -20.239 7.319 -3.887 500 HD1 TRP 57 HD TRP 57 -18.133 8.855 -4.591 501 HE1 TRP 57 1HE TRP 57 -16.707 10.504 -3.222 502 HE3 TRP 57 3HE TRP 57 -21.268 9.527 -0.609 503 HZ2 TRP 57 2HZ TRP 57 -16.888 11.904 -0.778 504 HZ3 TRP 57 3HZ TRP 57 -20.567 11.037 1.202 505 HH2 TRP 57 HH TRP 57 -18.421 12.199 1.118 506 H GLY 58 HN GLY 58 -22.573 9.539 -2.025 507 HA2 GLY 58 2HA GLY 58 -24.575 9.402 -0.912 508 HA3 GLY 58 3HA GLY 58 -25.329 9.552 -2.492 509 H ARG 59 HN ARG 59 -23.203 6.895 -2.069 510 HA ARG 59 HA ARG 59 -23.614 4.652 -2.285 511 HB2 ARG 59 1HB ARG 59 -23.809 5.038 0.153 512 HB3 ARG 59 2HB ARG 59 -25.540 5.281 -0.041 513 HG2 ARG 59 1HG ARG 59 -25.631 3.107 0.512 514 HG3 ARG 59 2HG ARG 59 -25.276 2.869 -1.201 515 HD2 ARG 59 1HD ARG 59 -23.375 2.773 1.128 516 HD3 ARG 59 2HD ARG 59 -23.775 1.484 -0.006 517 HE ARG 59 HE ARG 59 -21.882 3.623 -0.398 518 HH11 ARG 59 1HH1 ARG 59 -23.885 1.223 -1.930 519 HH12 ARG 59 2HH1 ARG 59 -22.935 1.166 -3.378 520 HH21 ARG 59 1HH2 ARG 59 -20.623 3.557 -2.299 521 HH22 ARG 59 2HH2 ARG 59 -21.080 2.493 -3.586 522 H LYS 60 HN LYS 60 -24.805 5.594 -4.356 523 HA LYS 60 HA LYS 60 -26.891 3.871 -4.963 524 HB2 LYS 60 1HB LYS 60 -27.808 6.018 -3.403 525 HB3 LYS 60 2HB LYS 60 -28.305 6.390 -5.049 526 HG2 LYS 60 1HG LYS 60 -28.818 3.686 -3.878 527 HG3 LYS 60 2HG LYS 60 -29.894 5.044 -3.536 528 HD2 LYS 60 1HD LYS 60 -29.167 4.553 -6.371 529 HD3 LYS 60 2HD LYS 60 -30.271 3.408 -5.604 530 HE2 LYS 60 1HE LYS 60 -31.183 5.938 -4.849 531 HE3 LYS 60 2HE LYS 60 -30.764 6.088 -6.554 532 HZ1 LYS 60 3HZ LYS 60 -32.505 4.859 -7.146 533 HZ2 LYS 60 1HZ LYS 60 -33.082 5.067 -5.569 534 HZ3 LYS 60 2HZ LYS 60 -32.203 3.680 -5.971 535 H ASN 61 HN ASN 61 -25.288 6.915 -5.548 536 HA ASN 61 HA ASN 61 -26.123 7.653 -8.034 537 HB2 ASN 61 1HB ASN 61 -24.021 8.722 -8.348 538 HB3 ASN 61 2HB ASN 61 -24.319 8.737 -6.613 539 HD21 ASN 61 1HD2 ASN 61 -23.588 6.312 -5.781 540 HD22 ASN 61 2HD2 ASN 61 -21.916 6.021 -6.104 541 H SER 62 HN SER 62 -23.996 4.971 -7.217 542 HA SER 62 HA SER 62 -22.986 3.368 -8.510 543 HB2 SER 62 1HB SER 62 -25.549 3.384 -10.092 544 HB3 SER 62 2HB SER 62 -24.535 2.009 -9.656 545 HG SER 62 HG SER 62 -25.652 1.826 -7.899 546 H LEU 63 HN LEU 63 -22.153 5.839 -9.356 547 HA LEU 63 HA LEU 63 -21.805 5.367 -12.228 548 HB2 LEU 63 1HB LEU 63 -21.861 7.908 -12.491 549 HB3 LEU 63 2HB LEU 63 -23.396 7.059 -12.322 550 HG LEU 63 HG LEU 63 -23.078 7.695 -9.781 551 HD11 LEU 63 1HD1 LEU 63 -21.892 9.668 -9.364 552 HD12 LEU 63 2HD1 LEU 63 -21.708 10.027 -11.080 553 HD13 LEU 63 3HD1 LEU 63 -20.802 8.699 -10.356 554 HD21 LEU 63 3HD2 LEU 63 -24.311 9.823 -10.266 555 HD22 LEU 63 1HD2 LEU 63 -24.983 8.383 -11.032 556 HD23 LEU 63 2HD2 LEU 63 -24.026 9.521 -11.981 557 H THR 64 HN THR 64 -20.178 4.971 -9.763 558 HA THR 64 HA THR 64 -17.823 6.492 -10.652 559 HB THR 64 HB THR 64 -17.471 5.987 -7.899 560 HG1 THR 64 1HG THR 64 -19.363 7.429 -7.264 561 HG21 THR 64 3HG2 THR 64 -17.933 8.448 -9.561 562 HG22 THR 64 1HG2 THR 64 -16.424 7.847 -8.876 563 HG23 THR 64 2HG2 THR 64 -17.654 8.546 -7.823 564 H LYS 65 HN LYS 65 -15.841 5.477 -9.267 565 HA LYS 65 HA LYS 65 -15.234 3.049 -10.392 566 HB2 LYS 65 1HB LYS 65 -14.239 4.309 -7.840 567 HB3 LYS 65 2HB LYS 65 -13.557 2.823 -8.488 568 HG2 LYS 65 1HG LYS 65 -12.510 3.882 -10.199 569 HG3 LYS 65 2HG LYS 65 -13.742 5.141 -10.322 570 HD2 LYS 65 1HD LYS 65 -12.337 5.236 -7.785 571 HD3 LYS 65 2HD LYS 65 -11.236 5.385 -9.157 572 HE2 LYS 65 1HE LYS 65 -13.709 7.050 -8.693 573 HE3 LYS 65 2HE LYS 65 -12.052 7.569 -8.391 574 HZ1 LYS 65 3HZ LYS 65 -12.133 8.335 -10.469 575 HZ2 LYS 65 1HZ LYS 65 -13.504 7.427 -10.867 576 HZ3 LYS 65 2HZ LYS 65 -11.969 6.724 -10.958 577 H GLU 66 HN GLU 66 -17.096 3.692 -7.522 578 HA GLU 66 HA GLU 66 -16.975 1.170 -6.304 579 HB2 GLU 66 1HB GLU 66 -19.327 3.068 -6.303 580 HB3 GLU 66 2HB GLU 66 -18.986 1.816 -5.117 581 HG2 GLU 66 1HG GLU 66 -17.150 2.993 -4.244 582 HG3 GLU 66 2HG GLU 66 -17.102 4.094 -5.620 583 H ALA 67 HN ALA 67 -19.379 2.488 -8.577 584 HA ALA 67 HA ALA 67 -20.904 0.125 -8.784 585 HB1 ALA 67 1HB ALA 67 -21.180 2.698 -9.671 586 HB2 ALA 67 2HB ALA 67 -20.903 1.809 -11.170 587 HB3 ALA 67 3HB ALA 67 -22.231 1.349 -10.105 588 H VAL 68 HN VAL 68 -18.402 1.481 -10.927 589 HA VAL 68 HA VAL 68 -18.401 -0.551 -12.837 590 HB VAL 68 HB VAL 68 -16.090 1.170 -11.929 591 HG11 VAL 68 1HG1 VAL 68 -15.849 0.441 -14.643 592 HG12 VAL 68 2HG1 VAL 68 -14.800 -0.009 -13.297 593 HG13 VAL 68 3HG1 VAL 68 -16.163 -1.039 -13.737 594 HG21 VAL 68 3HG2 VAL 68 -17.690 2.657 -12.711 595 HG22 VAL 68 1HG2 VAL 68 -16.730 2.332 -14.154 596 HG23 VAL 68 2HG2 VAL 68 -18.286 1.532 -13.932 597 H ALA 69 HN ALA 69 -16.432 -0.209 -9.898 598 HA ALA 69 HA ALA 69 -15.046 -2.673 -10.273 599 HB1 ALA 69 1HB ALA 69 -14.337 -0.625 -8.887 600 HB2 ALA 69 2HB ALA 69 -15.350 -1.316 -7.619 601 HB3 ALA 69 3HB ALA 69 -13.982 -2.232 -8.251 602 H LYS 70 HN LYS 70 -18.102 -1.804 -8.942 603 HA LYS 70 HA LYS 70 -18.467 -3.989 -7.182 604 HB2 LYS 70 1HB LYS 70 -19.891 -2.080 -6.956 605 HB3 LYS 70 2HB LYS 70 -20.424 -2.203 -8.627 606 HG2 LYS 70 1HG LYS 70 -21.673 -4.177 -8.164 607 HG3 LYS 70 2HG LYS 70 -20.979 -4.303 -6.546 608 HD2 LYS 70 1HD LYS 70 -22.495 -2.903 -5.696 609 HD3 LYS 70 2HD LYS 70 -22.233 -1.726 -6.986 610 HE2 LYS 70 1HE LYS 70 -23.688 -3.098 -8.457 611 HE3 LYS 70 2HE LYS 70 -24.018 -4.156 -7.086 612 HZ1 LYS 70 3HZ LYS 70 -25.581 -2.767 -6.403 613 HZ2 LYS 70 1HZ LYS 70 -25.327 -1.804 -7.770 614 HZ3 LYS 70 2HZ LYS 70 -24.484 -1.481 -6.340 615 H ILE 71 HN ILE 71 -19.475 -3.459 -10.552 616 HA ILE 71 HA ILE 71 -20.581 -6.089 -10.818 617 HB ILE 71 HB ILE 71 -19.786 -4.318 -13.115 618 HG12 ILE 71 1HG1 ILE 71 -21.005 -2.896 -11.570 619 HG13 ILE 71 2HG1 ILE 71 -22.038 -3.288 -12.940 620 HG21 ILE 71 1HG2 ILE 71 -20.556 -6.260 -14.038 621 HG22 ILE 71 2HG2 ILE 71 -21.629 -6.609 -12.684 622 HG23 ILE 71 3HG2 ILE 71 -22.078 -5.386 -13.872 623 HD11 ILE 71 3HD1 ILE 71 -22.381 -3.863 -10.114 624 HD12 ILE 71 1HD1 ILE 71 -23.570 -3.800 -11.415 625 HD13 ILE 71 2HD1 ILE 71 -22.634 -5.271 -11.146 626 H VAL 72 HN VAL 72 -17.550 -4.526 -11.738 627 HA VAL 72 HA VAL 72 -16.487 -6.626 -13.274 628 HB VAL 72 HB VAL 72 -15.084 -4.492 -11.665 629 HG11 VAL 72 1HG1 VAL 72 -13.053 -5.056 -12.723 630 HG12 VAL 72 2HG1 VAL 72 -13.721 -6.581 -12.137 631 HG13 VAL 72 3HG1 VAL 72 -13.852 -6.157 -13.844 632 HG21 VAL 72 3HG2 VAL 72 -14.988 -4.411 -14.586 633 HG22 VAL 72 1HG2 VAL 72 -16.612 -4.240 -13.918 634 HG23 VAL 72 2HG2 VAL 72 -15.334 -3.128 -13.426 635 H ASP 73 HN ASP 73 -16.253 -5.897 -9.816 636 HA ASP 73 HA ASP 73 -14.526 -8.105 -9.245 637 HB2 ASP 73 1HB ASP 73 -16.168 -6.271 -7.498 638 HB3 ASP 73 2HB ASP 73 -15.182 -7.576 -6.843 639 H ASP 74 HN ASP 74 -17.988 -7.478 -8.731 640 HA ASP 74 HA ASP 74 -18.617 -9.937 -7.546 641 HB2 ASP 74 1HB ASP 74 -20.233 -7.913 -9.073 642 HB3 ASP 74 2HB ASP 74 -20.963 -9.415 -8.513 643 H THR 75 HN THR 75 -18.918 -8.918 -10.945 644 HA THR 75 HA THR 75 -19.826 -11.377 -11.942 645 HB THR 75 HB THR 75 -18.182 -9.325 -13.435 646 HG1 THR 75 1HG THR 75 -19.972 -8.166 -13.597 647 HG21 THR 75 3HG2 THR 75 -20.312 -10.870 -14.769 648 HG22 THR 75 1HG2 THR 75 -18.881 -11.787 -14.300 649 HG23 THR 75 2HG2 THR 75 -18.722 -10.386 -15.360 650 H TYR 76 HN TYR 76 -16.535 -10.020 -11.861 651 HA TYR 76 HA TYR 76 -15.241 -12.209 -13.036 652 HB2 TYR 76 1HB TYR 76 -14.246 -9.940 -12.695 653 HB3 TYR 76 2HB TYR 76 -14.080 -10.316 -10.984 654 HD1 TYR 76 1HD TYR 76 -13.339 -12.190 -14.138 655 HD2 TYR 76 2HD TYR 76 -11.881 -10.707 -10.426 656 HE1 TYR 76 1HE TYR 76 -11.156 -13.233 -14.585 657 HE2 TYR 76 2HE TYR 76 -9.694 -11.743 -10.864 658 HH TYR 76 HH TYR 76 -9.089 -13.562 -13.857 659 H ARG 77 HN ARG 77 -15.949 -11.471 -9.648 660 HA ARG 77 HA ARG 77 -14.576 -13.721 -8.586 661 HB2 ARG 77 1HB ARG 77 -16.656 -11.846 -7.486 662 HB3 ARG 77 2HB ARG 77 -16.076 -13.221 -6.555 663 HG2 ARG 77 1HG ARG 77 -13.811 -12.361 -6.645 664 HG3 ARG 77 2HG ARG 77 -14.348 -11.010 -7.646 665 HD2 ARG 77 1HD ARG 77 -15.012 -11.579 -4.770 666 HD3 ARG 77 2HD ARG 77 -14.185 -10.174 -5.441 667 HE ARG 77 HE ARG 77 -16.593 -10.043 -6.625 668 HH11 ARG 77 1HH1 ARG 77 -15.634 -10.461 -3.305 669 HH12 ARG 77 2HH1 ARG 77 -17.038 -9.673 -2.664 670 HH21 ARG 77 1HH2 ARG 77 -18.445 -9.003 -5.794 671 HH22 ARG 77 2HH2 ARG 77 -18.636 -8.844 -4.081 672 H LYS 78 HN LYS 78 -17.753 -13.220 -9.898 673 HA LYS 78 HA LYS 78 -18.892 -15.619 -8.804 674 HB2 LYS 78 1HB LYS 78 -20.248 -13.628 -9.429 675 HB3 LYS 78 2HB LYS 78 -19.861 -13.930 -11.118 676 HG2 LYS 78 1HG LYS 78 -20.851 -16.347 -10.317 677 HG3 LYS 78 2HG LYS 78 -21.825 -15.211 -9.381 678 HD2 LYS 78 1HD LYS 78 -21.743 -14.076 -11.898 679 HD3 LYS 78 2HD LYS 78 -21.870 -15.805 -12.229 680 HE2 LYS 78 1HE LYS 78 -23.766 -15.815 -10.521 681 HE3 LYS 78 2HE LYS 78 -23.736 -14.057 -10.649 682 HZ1 LYS 78 3HZ LYS 78 -24.595 -14.100 -12.727 683 HZ2 LYS 78 1HZ LYS 78 -25.256 -15.559 -12.183 684 HZ3 LYS 78 2HZ LYS 78 -23.862 -15.568 -13.141 685 H MET 79 HN MET 79 -17.424 -14.663 -11.866 686 HA MET 79 HA MET 79 -17.941 -17.214 -13.105 687 HB2 MET 79 1HB MET 79 -17.896 -15.338 -14.568 688 HB3 MET 79 2HB MET 79 -16.346 -14.795 -13.938 689 HG2 MET 79 1HG MET 79 -15.163 -16.424 -15.078 690 HG3 MET 79 2HG MET 79 -16.581 -17.449 -15.284 691 HE1 MET 79 3HE MET 79 -14.877 -14.171 -16.119 692 HE2 MET 79 1HE MET 79 -14.205 -15.239 -17.351 693 HE3 MET 79 2HE MET 79 -15.255 -13.902 -17.821 694 H GLN 80 HN GLN 80 -14.989 -15.475 -12.110 695 HA GLN 80 HA GLN 80 -13.308 -17.745 -12.487 696 HB2 GLN 80 1HB GLN 80 -12.495 -15.408 -12.612 697 HB3 GLN 80 2HB GLN 80 -12.783 -15.235 -10.886 698 HG2 GLN 80 1HG GLN 80 -10.529 -15.672 -10.962 699 HG3 GLN 80 2HG GLN 80 -11.205 -17.273 -10.668 700 HE21 GLN 80 1HE2 GLN 80 -10.204 -15.132 -13.303 701 HE22 GLN 80 2HE2 GLN 80 -9.582 -16.384 -14.318 702 H ILE 81 HN ILE 81 -14.617 -16.134 -9.599 703 HA ILE 81 HA ILE 81 -14.877 -16.832 -7.447 704 HB ILE 81 HB ILE 81 -14.893 -19.667 -8.435 705 HG12 ILE 81 1HG1 ILE 81 -17.112 -17.630 -8.732 706 HG13 ILE 81 2HG1 ILE 81 -16.211 -18.379 -10.046 707 HG21 ILE 81 1HG2 ILE 81 -16.945 -18.682 -6.585 708 HG22 ILE 81 2HG2 ILE 81 -15.960 -20.143 -6.519 709 HG23 ILE 81 3HG2 ILE 81 -15.294 -18.606 -5.968 710 HD11 ILE 81 3HD1 ILE 81 -17.993 -19.740 -10.106 711 HD12 ILE 81 1HD1 ILE 81 -17.137 -20.574 -8.810 712 HD13 ILE 81 2HD1 ILE 81 -18.424 -19.431 -8.425 713 H GLN 82 HN GLN 82 -12.145 -16.769 -8.679 714 HA GLN 82 HA GLN 82 -10.801 -18.211 -6.523 715 HB2 GLN 82 1HB GLN 82 -10.813 -19.568 -8.702 716 HB3 GLN 82 2HB GLN 82 -9.718 -18.343 -9.329 717 HG2 GLN 82 1HG GLN 82 -8.584 -20.364 -8.460 718 HG3 GLN 82 2HG GLN 82 -8.074 -18.866 -7.683 719 HE21 GLN 82 1HE2 GLN 82 -10.866 -20.996 -7.194 720 HE22 GLN 82 2HE2 GLN 82 -10.577 -21.274 -5.514 721 H CYS 83 HN CYS 83 -8.489 -17.530 -6.317 722 HA CYS 83 HA CYS 83 -6.829 -15.959 -6.244 723 HB2 CYS 83 1HB CYS 83 -7.846 -15.543 -8.735 724 HB3 CYS 83 2HB CYS 83 -8.147 -13.979 -7.988 725 HG CYS 83 HG CYS 83 -5.688 -14.189 -9.553 726 H ALA 84 HN ALA 84 -10.020 -14.403 -6.558 727 HA ALA 84 HA ALA 84 -11.033 -12.758 -5.343 728 HB1 ALA 84 1HB ALA 84 -10.821 -13.028 -2.861 729 HB2 ALA 84 2HB ALA 84 -11.293 -14.489 -3.730 730 HB3 ALA 84 3HB ALA 84 -9.633 -14.296 -3.166 731 HA PRO 85 HA PRO 85 -7.259 -10.080 -5.304 732 HB2 PRO 85 1HB PRO 85 -8.346 -8.144 -6.866 733 HB3 PRO 85 2HB PRO 85 -7.542 -9.573 -7.527 734 HG2 PRO 85 1HG PRO 85 -10.466 -9.041 -7.169 735 HG3 PRO 85 2HG PRO 85 -9.622 -9.770 -8.547 736 HD2 PRO 85 1HD PRO 85 -10.933 -11.247 -6.695 737 HD3 PRO 85 2HD PRO 85 -9.481 -11.834 -7.530 738 H ASP 86 HN ASP 86 -10.367 -9.992 -4.094 739 HA ASP 86 HA ASP 86 -11.337 -8.812 -2.404 740 HB2 ASP 86 1HB ASP 86 -8.917 -8.850 -1.537 741 HB3 ASP 86 2HB ASP 86 -8.810 -7.196 -2.135 742 H LEU 87 HN LEU 87 -12.844 -7.807 -3.715 743 HA LEU 87 HA LEU 87 -12.647 -5.810 -5.506 744 HB2 LEU 87 1HB LEU 87 -14.795 -6.591 -5.142 745 HB3 LEU 87 2HB LEU 87 -14.693 -6.352 -3.399 746 HG LEU 87 HG LEU 87 -14.575 -3.871 -4.952 747 HD11 LEU 87 1HD1 LEU 87 -16.602 -5.843 -5.570 748 HD12 LEU 87 2HD1 LEU 87 -16.254 -4.298 -6.346 749 HD13 LEU 87 3HD1 LEU 87 -17.300 -4.356 -4.928 750 HD21 LEU 87 3HD2 LEU 87 -14.908 -3.392 -2.770 751 HD22 LEU 87 1HD2 LEU 87 -15.719 -4.924 -2.443 752 HD23 LEU 87 2HD2 LEU 87 -16.603 -3.605 -3.213 753 H ALA 88 HN ALA 88 -13.173 -5.146 -2.037 754 HA ALA 88 HA ALA 88 -11.205 -3.235 -1.715 755 HB1 ALA 88 1HB ALA 88 -13.295 -2.246 -3.344 756 HB2 ALA 88 2HB ALA 88 -13.397 -1.421 -1.788 757 HB3 ALA 88 3HB ALA 88 -11.895 -1.379 -2.711 758 H THR 89 HN THR 89 -14.385 -4.389 -0.910 759 HA THR 89 HA THR 89 -15.402 -4.767 1.095 760 HB THR 89 HB THR 89 -12.934 -3.837 2.540 761 HG1 THR 89 1HG THR 89 -13.347 -6.257 1.111 762 HG21 THR 89 3HG2 THR 89 -15.331 -5.442 3.145 763 HG22 THR 89 1HG2 THR 89 -14.338 -4.444 4.206 764 HG23 THR 89 2HG2 THR 89 -13.814 -6.074 3.783 765 H ARG 90 HN ARG 90 -14.828 -1.941 -0.157 766 HA ARG 90 HA ARG 90 -15.336 0.241 0.284 767 HB2 ARG 90 1HB ARG 90 -17.424 -1.332 1.752 768 HB3 ARG 90 2HB ARG 90 -17.415 0.423 1.855 769 HG2 ARG 90 1HG ARG 90 -18.241 0.666 -0.204 770 HG3 ARG 90 2HG ARG 90 -17.197 -0.591 -0.873 771 HD2 ARG 90 1HD ARG 90 -18.767 -2.221 0.385 772 HD3 ARG 90 2HD ARG 90 -19.879 -0.854 0.433 773 HE ARG 90 HE ARG 90 -19.222 -0.970 -2.171 774 HH11 ARG 90 1HH1 ARG 90 -20.294 -3.392 0.089 775 HH12 ARG 90 2HH1 ARG 90 -21.091 -4.349 -1.115 776 HH21 ARG 90 1HH2 ARG 90 -20.268 -2.222 -3.765 777 HH22 ARG 90 2HH2 ARG 90 -21.075 -3.683 -3.307 778 H SER 91 HN SER 91 -13.261 -0.890 1.932 779 HA SER 91 HA SER 91 -13.679 0.444 4.512 780 HB2 SER 91 1HB SER 91 -11.743 -0.802 5.300 781 HB3 SER 91 2HB SER 91 -12.880 -1.911 4.535 782 HG SER 91 HG SER 91 -11.117 -2.483 3.504 783 H HIS 92 HN HIS 92 -11.660 0.471 1.644 784 HA HIS 92 HA HIS 92 -9.784 2.384 2.625 785 HB2 HIS 92 1HB HIS 92 -10.330 1.019 0.067 786 HB3 HIS 92 2HB HIS 92 -9.601 2.616 -0.082 787 HD1 HIS 92 1HD HIS 92 -8.730 0.352 2.775 788 HD2 HIS 92 2HD HIS 92 -7.123 1.601 -0.847 789 HE1 HIS 92 1HE HIS 92 -6.344 -0.444 2.788 790 H SER 93 HN SER 93 -12.913 2.565 1.153 791 HA SER 93 HA SER 93 -13.110 5.362 1.685 792 HB2 SER 93 1HB SER 93 -13.668 5.886 -0.789 793 HB3 SER 93 2HB SER 93 -11.970 5.778 -0.325 794 HG SER 93 HG SER 93 -12.207 3.478 -1.007 795 H GLY 94 HN GLY 94 -14.761 4.008 2.885 796 HA2 GLY 94 2HA GLY 94 -17.215 3.874 1.249 797 HA3 GLY 94 3HA GLY 94 -16.821 2.602 2.396 798 H SER 95 HN SER 95 -17.385 2.834 4.491 799 HA SER 95 HA SER 95 -18.274 3.727 6.390 800 HB2 SER 95 1HB SER 95 -17.527 5.775 6.983 801 HB3 SER 95 2HB SER 95 -16.672 5.749 5.441 802 HG SER 95 HG SER 95 -17.809 7.518 5.161 803 H ASP 96 HN ASP 96 -19.674 3.551 3.575 804 HA ASP 96 HA ASP 96 -22.139 4.938 4.405 805 HB2 ASP 96 1HB ASP 96 -21.078 4.301 1.652 806 HB3 ASP 96 2HB ASP 96 -22.744 4.793 1.941 807 H PHE 97 HN PHE 97 -20.731 1.976 4.285 808 HA PHE 97 HA PHE 97 -23.234 0.569 3.661 809 HB2 PHE 97 1HB PHE 97 -20.504 0.027 3.041 810 HB3 PHE 97 2HB PHE 97 -21.089 -1.256 4.095 811 HD1 PHE 97 1HD PHE 97 -22.090 0.648 1.053 812 HD2 PHE 97 2HD PHE 97 -22.188 -3.048 3.161 813 HE1 PHE 97 1HE PHE 97 -23.203 -0.414 -0.868 814 HE2 PHE 97 2HE PHE 97 -23.300 -4.117 1.244 815 HZ PHE 97 HZ PHE 97 -23.808 -2.800 -0.774 816 H SER 98 HN SER 98 -22.134 1.957 6.231 817 HA SER 98 HA SER 98 -21.724 0.050 8.217 818 HB2 SER 98 1HB SER 98 -21.284 2.316 8.768 819 HB3 SER 98 2HB SER 98 -22.910 2.823 8.311 820 HG SER 98 HG SER 98 -23.109 2.666 10.437 821 H PHE 99 HN PHE 99 -22.995 -1.615 8.677 822 HA PHE 99 HA PHE 99 -24.823 -2.854 9.219 823 HB2 PHE 99 1HB PHE 99 -25.152 -0.872 10.795 824 HB3 PHE 99 2HB PHE 99 -26.320 -0.268 9.625 825 HD1 PHE 99 2HD PHE 99 -25.539 -3.416 11.469 826 HD2 PHE 99 1HD PHE 99 -28.526 -0.785 9.963 827 HE1 PHE 99 2HE PHE 99 -27.283 -4.814 12.496 828 HE2 PHE 99 1HE PHE 99 -30.275 -2.178 10.989 829 HZ PHE 99 HZ PHE 99 -29.655 -4.197 12.257 830 H ARG 100 HN ARG 100 -24.384 -2.438 6.532 831 HA ARG 100 HA ARG 100 -26.412 -1.429 4.972 832 HB2 ARG 100 1HB ARG 100 -25.772 -3.314 3.351 833 HB3 ARG 100 2HB ARG 100 -24.511 -2.187 3.832 834 HG2 ARG 100 1HG ARG 100 -23.280 -3.804 4.728 835 HG3 ARG 100 2HG ARG 100 -24.657 -4.469 5.608 836 HD2 ARG 100 1HD ARG 100 -25.168 -5.958 3.959 837 HD3 ARG 100 2HD ARG 100 -24.555 -4.914 2.678 838 HE ARG 100 HE ARG 100 -22.518 -5.974 4.416 839 HH11 ARG 100 1HH1 ARG 100 -24.414 -6.499 1.544 840 HH12 ARG 100 2HH1 ARG 100 -23.274 -7.594 0.834 841 HH21 ARG 100 1HH2 ARG 100 -21.009 -7.414 3.492 842 HH22 ARG 100 2HH2 ARG 100 -21.338 -8.114 1.944 843 HA PRO 101 HA PRO 101 -29.998 -3.893 5.544 844 HB2 PRO 101 1HB PRO 101 -31.019 -3.973 3.030 845 HB3 PRO 101 2HB PRO 101 -31.050 -2.518 4.033 846 HG2 PRO 101 1HG PRO 101 -29.158 -3.266 1.837 847 HG3 PRO 101 2HG PRO 101 -29.925 -1.702 2.169 848 HD2 PRO 101 1HD PRO 101 -27.366 -2.247 2.867 849 HD3 PRO 101 2HD PRO 101 -28.405 -1.163 3.816 850 H ILE 102 HN ILE 102 -31.262 -5.725 4.143 851 HA ILE 102 HA ILE 102 -29.248 -7.809 3.602 852 HB ILE 102 HB ILE 102 -32.039 -8.503 4.412 853 HG12 ILE 102 1HG1 ILE 102 -29.892 -7.381 6.172 854 HG13 ILE 102 2HG1 ILE 102 -31.628 -7.096 6.214 855 HG21 ILE 102 1HG2 ILE 102 -29.489 -9.868 5.194 856 HG22 ILE 102 2HG2 ILE 102 -31.113 -10.539 5.062 857 HG23 ILE 102 3HG2 ILE 102 -30.212 -10.122 3.605 858 HD11 ILE 102 3HD1 ILE 102 -31.329 -8.374 8.086 859 HD12 ILE 102 1HD1 ILE 102 -31.727 -9.612 6.894 860 HD13 ILE 102 2HD1 ILE 102 -30.046 -9.340 7.357 861 H GLU 103 HN GLU 103 -30.261 -6.001 1.625 862 HA GLU 103 HA GLU 103 -31.007 -6.034 -0.524 863 HB2 GLU 103 1HB GLU 103 -29.945 -8.571 -0.069 864 HB3 GLU 103 2HB GLU 103 -31.516 -8.880 -0.797 865 HG2 GLU 103 1HG GLU 103 -30.053 -8.779 -2.600 866 HG3 GLU 103 2HG GLU 103 -30.829 -7.197 -2.583 867 H GLU 104 HN GLU 104 -32.862 -6.050 1.817 868 HA GLU 104 HA GLU 104 -35.097 -6.094 2.256 869 HB2 GLU 104 1HB GLU 104 -35.024 -5.719 -0.724 870 HB3 GLU 104 2HB GLU 104 -36.556 -5.836 0.129 871 HG2 GLU 104 1HG GLU 104 -35.431 -3.979 1.642 872 HG3 GLU 104 2HG GLU 104 -34.523 -3.682 0.160 873 H ALA 105 HN ALA 105 -33.756 -8.637 1.975 874 HA ALA 105 HA ALA 105 -35.133 -10.536 0.491 875 HB1 ALA 105 1HB ALA 105 -34.131 -11.200 3.226 876 HB2 ALA 105 2HB ALA 105 -34.039 -12.142 1.738 877 HB3 ALA 105 3HB ALA 105 -32.996 -10.737 1.958 Start of MODEL 15 1 H1 GLY -5 HN GLY -5 3.114 -0.774 -0.905 2 HA2 GLY -5 2HA GLY -5 1.128 0.049 -2.534 3 HA3 GLY -5 3HA GLY -5 0.288 -0.158 -1.004 4 H SER -4 HN SER -4 0.517 2.299 -2.365 5 HA SER -4 HA SER -4 1.395 3.970 -0.265 6 HB2 SER -4 1HB SER -4 3.326 5.017 -1.223 7 HB3 SER -4 2HB SER -4 3.613 3.278 -1.262 8 HG SER -4 HG SER -4 3.743 3.399 -3.346 9 H HIS -3 HN HIS -3 -0.985 3.857 -1.487 10 HA HIS -3 HA HIS -3 -2.595 5.130 -2.467 11 HB2 HIS -3 1HB HIS -3 -0.506 7.316 -2.415 12 HB3 HIS -3 2HB HIS -3 -2.244 7.537 -2.591 13 HD1 HIS -3 1HD HIS -3 -3.500 7.942 -0.490 14 HD2 HIS -3 2HD HIS -3 0.190 6.168 0.217 15 HE1 HIS -3 1HE HIS -3 -3.254 7.877 2.012 16 H MET -2 HN MET -2 -1.306 3.483 -4.188 17 HA MET -2 HA MET -2 -1.463 4.998 -6.674 18 HB2 MET -2 1HB MET -2 0.808 3.065 -6.302 19 HB3 MET -2 2HB MET -2 0.607 4.300 -7.538 20 HG2 MET -2 1HG MET -2 0.763 5.971 -5.590 21 HG3 MET -2 2HG MET -2 1.426 4.616 -4.680 22 HE1 MET -2 3HE MET -2 3.628 7.442 -7.254 23 HE2 MET -2 1HE MET -2 1.906 7.446 -6.869 24 HE3 MET -2 2HE MET -2 3.099 7.571 -5.576 25 H ALA -1 HN ALA -1 -3.493 3.834 -6.743 26 HA ALA -1 HA ALA -1 -3.138 1.066 -7.688 27 HB1 ALA -1 1HB ALA -1 -5.421 0.599 -6.769 28 HB2 ALA -1 2HB ALA -1 -4.177 0.892 -5.553 29 HB3 ALA -1 3HB ALA -1 -5.339 2.158 -5.948 30 H SER 1 HN SER 1 -3.917 4.123 -8.560 31 HA SER 1 HA SER 1 -6.257 4.055 -9.997 32 HB2 SER 1 1HB SER 1 -5.241 5.779 -11.464 33 HB3 SER 1 2HB SER 1 -4.941 6.094 -9.755 34 HG SER 1 HG SER 1 -2.856 5.370 -10.000 35 H ALA 2 HN ALA 2 -3.020 3.292 -11.287 36 HA ALA 2 HA ALA 2 -3.943 2.371 -13.787 37 HB1 ALA 2 1HB ALA 2 -1.585 3.086 -13.143 38 HB2 ALA 2 2HB ALA 2 -1.392 1.458 -12.492 39 HB3 ALA 2 3HB ALA 2 -1.737 1.686 -14.206 40 H ASP 3 HN ASP 3 -3.866 0.906 -10.681 41 HA ASP 3 HA ASP 3 -3.887 -1.815 -11.595 42 HB2 ASP 3 1HB ASP 3 -3.176 -0.852 -9.269 43 HB3 ASP 3 2HB ASP 3 -4.894 -0.976 -8.899 44 H LEU 4 HN LEU 4 -6.320 0.486 -10.439 45 HA LEU 4 HA LEU 4 -8.501 -1.329 -10.619 46 HB2 LEU 4 1HB LEU 4 -8.498 0.695 -9.208 47 HB3 LEU 4 2HB LEU 4 -8.525 1.686 -10.666 48 HG LEU 4 HG LEU 4 -10.715 -0.256 -10.493 49 HD11 LEU 4 1HD1 LEU 4 -11.955 0.847 -8.782 50 HD12 LEU 4 2HD1 LEU 4 -10.694 2.062 -8.571 51 HD13 LEU 4 3HD1 LEU 4 -10.393 0.389 -8.101 52 HD21 LEU 4 3HD2 LEU 4 -10.322 1.716 -12.110 53 HD22 LEU 4 1HD2 LEU 4 -10.912 2.719 -10.784 54 HD23 LEU 4 2HD2 LEU 4 -11.944 1.460 -11.465 55 H VAL 5 HN VAL 5 -7.180 1.136 -12.785 56 HA VAL 5 HA VAL 5 -9.199 0.932 -14.760 57 HB VAL 5 HB VAL 5 -6.336 1.862 -15.016 58 HG11 VAL 5 1HG1 VAL 5 -7.351 3.108 -17.023 59 HG12 VAL 5 2HG1 VAL 5 -6.981 1.393 -17.208 60 HG13 VAL 5 3HG1 VAL 5 -8.643 1.913 -16.929 61 HG21 VAL 5 3HG2 VAL 5 -7.826 3.103 -13.419 62 HG22 VAL 5 1HG2 VAL 5 -7.174 4.072 -14.740 63 HG23 VAL 5 2HG2 VAL 5 -8.846 3.514 -14.798 64 H SER 6 HN SER 6 -5.914 -0.440 -14.596 65 HA SER 6 HA SER 6 -6.060 -1.897 -16.990 66 HB2 SER 6 1HB SER 6 -4.410 -2.375 -14.499 67 HB3 SER 6 2HB SER 6 -4.176 -3.238 -16.019 68 HG SER 6 HG SER 6 -3.530 -0.635 -15.334 69 H SER 7 HN SER 7 -6.911 -2.755 -13.672 70 HA SER 7 HA SER 7 -7.479 -5.486 -14.222 71 HB2 SER 7 1HB SER 7 -6.974 -4.571 -11.947 72 HB3 SER 7 2HB SER 7 -8.556 -3.791 -11.956 73 HG SER 7 HG SER 7 -9.462 -5.910 -12.219 74 H CYS 8 HN CYS 8 -9.540 -2.614 -13.839 75 HA CYS 8 HA CYS 8 -11.999 -3.891 -14.247 76 HB2 CYS 8 1HB CYS 8 -11.046 -1.064 -14.549 77 HB3 CYS 8 2HB CYS 8 -12.668 -1.501 -15.071 78 HG CYS 8 HG CYS 8 -13.278 -2.577 -12.454 79 H LYS 9 HN LYS 9 -9.730 -2.434 -16.530 80 HA LYS 9 HA LYS 9 -11.349 -2.685 -18.827 81 HB2 LYS 9 1HB LYS 9 -9.496 -1.209 -18.949 82 HB3 LYS 9 2HB LYS 9 -8.370 -2.459 -18.437 83 HG2 LYS 9 1HG LYS 9 -9.757 -3.217 -20.855 84 HG3 LYS 9 2HG LYS 9 -8.925 -1.671 -21.037 85 HD2 LYS 9 1HD LYS 9 -7.277 -3.590 -19.639 86 HD3 LYS 9 2HD LYS 9 -7.800 -4.217 -21.204 87 HE2 LYS 9 1HE LYS 9 -6.742 -1.431 -21.004 88 HE3 LYS 9 2HE LYS 9 -5.619 -2.789 -21.014 89 HZ1 LYS 9 3HZ LYS 9 -6.783 -1.579 -23.200 90 HZ2 LYS 9 1HZ LYS 9 -7.560 -3.076 -23.061 91 HZ3 LYS 9 2HZ LYS 9 -5.875 -3.006 -23.191 92 H ASP 10 HN ASP 10 -8.650 -4.713 -17.679 93 HA ASP 10 HA ASP 10 -8.735 -6.680 -19.610 94 HB2 ASP 10 1HB ASP 10 -7.068 -6.413 -17.702 95 HB3 ASP 10 2HB ASP 10 -8.234 -7.265 -16.693 96 H LYS 11 HN LYS 11 -10.498 -6.629 -16.517 97 HA LYS 11 HA LYS 11 -11.898 -9.041 -16.954 98 HB2 LYS 11 1HB LYS 11 -11.869 -6.914 -14.982 99 HB3 LYS 11 2HB LYS 11 -13.508 -7.466 -15.301 100 HG2 LYS 11 1HG LYS 11 -13.106 -9.080 -13.832 101 HG3 LYS 11 2HG LYS 11 -12.079 -9.811 -15.067 102 HD2 LYS 11 1HD LYS 11 -10.945 -7.695 -13.295 103 HD3 LYS 11 2HD LYS 11 -11.146 -9.331 -12.662 104 HE2 LYS 11 1HE LYS 11 -9.646 -10.237 -14.188 105 HE3 LYS 11 2HE LYS 11 -9.797 -8.874 -15.296 106 HZ1 LYS 11 3HZ LYS 11 -7.688 -9.087 -13.869 107 HZ2 LYS 11 1HZ LYS 11 -8.646 -8.489 -12.610 108 HZ3 LYS 11 2HZ LYS 11 -8.417 -7.567 -14.009 109 H LEU 12 HN LEU 12 -12.959 -5.653 -17.284 110 HA LEU 12 HA LEU 12 -15.523 -6.082 -18.199 111 HB2 LEU 12 1HB LEU 12 -14.682 -3.881 -17.643 112 HB3 LEU 12 2HB LEU 12 -13.573 -3.932 -19.013 113 HG LEU 12 HG LEU 12 -16.126 -4.298 -20.103 114 HD11 LEU 12 1HD1 LEU 12 -16.958 -1.932 -19.183 115 HD12 LEU 12 2HD1 LEU 12 -16.160 -2.535 -17.731 116 HD13 LEU 12 3HD1 LEU 12 -17.459 -3.468 -18.475 117 HD21 LEU 12 3HD2 LEU 12 -15.651 -2.291 -21.261 118 HD22 LEU 12 1HD2 LEU 12 -14.096 -3.073 -20.975 119 HD23 LEU 12 2HD2 LEU 12 -14.595 -1.710 -19.972 120 H ALA 13 HN ALA 13 -12.515 -5.999 -20.067 121 HA ALA 13 HA ALA 13 -13.722 -6.312 -22.607 122 HB1 ALA 13 1HB ALA 13 -10.985 -7.361 -22.146 123 HB2 ALA 13 2HB ALA 13 -11.607 -6.344 -23.447 124 HB3 ALA 13 3HB ALA 13 -11.267 -5.642 -21.865 125 H TYR 14 HN TYR 14 -12.523 -8.601 -20.210 126 HA TYR 14 HA TYR 14 -12.867 -10.895 -21.892 127 HB2 TYR 14 1HB TYR 14 -11.226 -10.862 -20.052 128 HB3 TYR 14 2HB TYR 14 -12.539 -10.726 -18.888 129 HD1 TYR 14 2HD TYR 14 -12.230 -12.898 -21.903 130 HD2 TYR 14 1HD TYR 14 -12.498 -12.701 -17.661 131 HE1 TYR 14 2HE TYR 14 -12.390 -15.350 -21.805 132 HE2 TYR 14 1HE TYR 14 -12.657 -15.153 -17.551 133 HH TYR 14 HH TYR 14 -11.960 -17.159 -20.191 134 H PHE 15 HN PHE 15 -14.940 -8.977 -19.985 135 HA PHE 15 HA PHE 15 -16.928 -11.099 -19.697 136 HB2 PHE 15 1HB PHE 15 -16.911 -8.245 -18.695 137 HB3 PHE 15 2HB PHE 15 -18.195 -9.410 -18.387 138 HD1 PHE 15 1HD PHE 15 -16.469 -11.833 -17.928 139 HD2 PHE 15 2HD PHE 15 -16.173 -7.832 -16.508 140 HE1 PHE 15 1HE PHE 15 -15.265 -12.633 -15.936 141 HE2 PHE 15 2HE PHE 15 -14.968 -8.624 -14.515 142 HZ PHE 15 HZ PHE 15 -14.512 -11.027 -14.227 143 H ARG 16 HN ARG 16 -18.790 -11.197 -20.837 144 HA ARG 16 HA ARG 16 -19.007 -10.070 -23.347 145 HB2 ARG 16 1HB ARG 16 -20.426 -11.923 -21.939 146 HB3 ARG 16 2HB ARG 16 -21.583 -10.601 -22.020 147 HG2 ARG 16 1HG ARG 16 -22.070 -11.888 -23.890 148 HG3 ARG 16 2HG ARG 16 -21.084 -10.572 -24.532 149 HD2 ARG 16 1HD ARG 16 -19.858 -12.185 -25.478 150 HD3 ARG 16 2HD ARG 16 -19.202 -12.444 -23.861 151 HE ARG 16 HE ARG 16 -20.388 -14.407 -23.721 152 HH11 ARG 16 1HH1 ARG 16 -21.491 -12.566 -26.462 153 HH12 ARG 16 2HH1 ARG 16 -22.450 -13.856 -27.107 154 HH21 ARG 16 1HH2 ARG 16 -21.648 -16.113 -24.560 155 HH22 ARG 16 2HH2 ARG 16 -22.540 -15.873 -26.025 156 H ILE 17 HN ILE 17 -20.966 -8.694 -24.058 157 HA ILE 17 HA ILE 17 -20.614 -6.085 -23.249 158 HB ILE 17 HB ILE 17 -23.213 -7.174 -24.327 159 HG12 ILE 17 1HG1 ILE 17 -20.550 -6.850 -25.578 160 HG13 ILE 17 2HG1 ILE 17 -21.864 -7.946 -25.991 161 HG21 ILE 17 1HG2 ILE 17 -23.630 -5.001 -25.131 162 HG22 ILE 17 2HG2 ILE 17 -23.065 -4.787 -23.475 163 HG23 ILE 17 3HG2 ILE 17 -21.972 -4.483 -24.825 164 HD11 ILE 17 3HD1 ILE 17 -21.565 -5.057 -26.752 165 HD12 ILE 17 1HD1 ILE 17 -21.583 -6.467 -27.811 166 HD13 ILE 17 2HD1 ILE 17 -23.056 -5.972 -26.977 167 H LYS 18 HN LYS 18 -22.521 -8.567 -21.775 168 HA LYS 18 HA LYS 18 -24.423 -7.163 -20.361 169 HB2 LYS 18 1HB LYS 18 -23.203 -9.755 -20.215 170 HB3 LYS 18 2HB LYS 18 -23.384 -9.112 -18.588 171 HG2 LYS 18 1HG LYS 18 -25.643 -9.157 -20.565 172 HG3 LYS 18 2HG LYS 18 -25.295 -10.504 -19.480 173 HD2 LYS 18 1HD LYS 18 -26.697 -9.428 -18.084 174 HD3 LYS 18 2HD LYS 18 -25.286 -8.425 -17.738 175 HE2 LYS 18 1HE LYS 18 -26.362 -6.642 -18.505 176 HE3 LYS 18 2HE LYS 18 -26.529 -7.415 -20.081 177 HZ1 LYS 18 3HZ LYS 18 -28.602 -8.308 -19.487 178 HZ2 LYS 18 1HZ LYS 18 -28.648 -6.704 -18.950 179 HZ3 LYS 18 2HZ LYS 18 -28.392 -7.959 -17.845 180 H GLU 19 HN GLU 19 -21.055 -7.799 -19.414 181 HA GLU 19 HA GLU 19 -21.079 -6.592 -16.918 182 HB2 GLU 19 1HB GLU 19 -19.168 -7.858 -17.572 183 HB3 GLU 19 2HB GLU 19 -18.886 -6.833 -18.972 184 HG2 GLU 19 1HG GLU 19 -17.266 -6.351 -17.262 185 HG3 GLU 19 2HG GLU 19 -18.336 -4.967 -17.477 186 H LEU 20 HN LEU 20 -20.009 -5.097 -19.977 187 HA LEU 20 HA LEU 20 -19.759 -2.498 -18.936 188 HB2 LEU 20 1HB LEU 20 -20.331 -2.136 -21.603 189 HB3 LEU 20 2HB LEU 20 -18.732 -2.379 -20.902 190 HG LEU 20 HG LEU 20 -20.340 -4.762 -21.702 191 HD11 LEU 20 1HD1 LEU 20 -19.068 -2.785 -23.542 192 HD12 LEU 20 2HD1 LEU 20 -20.590 -3.659 -23.711 193 HD13 LEU 20 3HD1 LEU 20 -19.058 -4.501 -23.947 194 HD21 LEU 20 3HD2 LEU 20 -18.280 -5.816 -21.848 195 HD22 LEU 20 1HD2 LEU 20 -18.059 -4.719 -20.485 196 HD23 LEU 20 2HD2 LEU 20 -17.405 -4.300 -22.068 197 H LYS 21 HN LYS 21 -22.491 -4.272 -20.171 198 HA LYS 21 HA LYS 21 -24.237 -2.153 -20.716 199 HB2 LYS 21 1HB LYS 21 -24.550 -4.618 -21.257 200 HB3 LYS 21 2HB LYS 21 -25.070 -4.825 -19.589 201 HG2 LYS 21 1HG LYS 21 -27.113 -4.463 -20.422 202 HG3 LYS 21 2HG LYS 21 -26.645 -2.762 -20.368 203 HD2 LYS 21 1HD LYS 21 -25.809 -4.231 -22.780 204 HD3 LYS 21 2HD LYS 21 -27.551 -4.019 -22.586 205 HE2 LYS 21 1HE LYS 21 -27.290 -1.632 -22.420 206 HE3 LYS 21 2HE LYS 21 -25.534 -1.783 -22.421 207 HZ1 LYS 21 3HZ LYS 21 -26.155 -3.030 -24.693 208 HZ2 LYS 21 1HZ LYS 21 -25.787 -1.381 -24.601 209 HZ3 LYS 21 2HZ LYS 21 -27.401 -1.887 -24.635 210 H ASP 22 HN ASP 22 -23.740 -4.003 -17.724 211 HA ASP 22 HA ASP 22 -25.658 -2.551 -16.213 212 HB2 ASP 22 1HB ASP 22 -23.834 -4.737 -15.779 213 HB3 ASP 22 2HB ASP 22 -23.732 -3.597 -14.440 214 H ILE 23 HN ILE 23 -22.163 -2.263 -16.644 215 HA ILE 23 HA ILE 23 -21.701 -0.297 -14.692 216 HB ILE 23 HB ILE 23 -20.216 -0.810 -17.271 217 HG12 ILE 23 1HG1 ILE 23 -19.572 -1.666 -14.442 218 HG13 ILE 23 2HG1 ILE 23 -20.325 -2.705 -15.646 219 HG21 ILE 23 1HG2 ILE 23 -19.222 1.144 -16.826 220 HG22 ILE 23 2HG2 ILE 23 -19.878 1.211 -15.191 221 HG23 ILE 23 3HG2 ILE 23 -18.418 0.277 -15.518 222 HD11 ILE 23 3HD1 ILE 23 -17.669 -2.570 -15.163 223 HD12 ILE 23 1HD1 ILE 23 -18.386 -3.110 -16.681 224 HD13 ILE 23 2HD1 ILE 23 -17.829 -1.445 -16.512 225 H LEU 24 HN LEU 24 -22.102 0.085 -18.217 226 HA LEU 24 HA LEU 24 -22.109 2.886 -18.226 227 HB2 LEU 24 1HB LEU 24 -22.172 2.550 -20.413 228 HB3 LEU 24 2HB LEU 24 -22.367 0.826 -20.104 229 HG LEU 24 HG LEU 24 -24.806 2.526 -20.095 230 HD11 LEU 24 1HD1 LEU 24 -24.005 1.485 -22.729 231 HD12 LEU 24 2HD1 LEU 24 -23.119 2.901 -22.161 232 HD13 LEU 24 3HD1 LEU 24 -24.876 2.958 -22.302 233 HD21 LEU 24 3HD2 LEU 24 -24.107 -0.257 -20.198 234 HD22 LEU 24 1HD2 LEU 24 -25.099 0.175 -21.591 235 HD23 LEU 24 2HD2 LEU 24 -25.686 0.493 -19.958 236 H ASN 25 HN ASN 25 -24.745 0.554 -17.901 237 HA ASN 25 HA ASN 25 -26.914 2.278 -18.090 238 HB2 ASN 25 1HB ASN 25 -27.724 0.165 -17.966 239 HB3 ASN 25 2HB ASN 25 -26.415 -0.382 -16.923 240 HD21 ASN 25 1HD2 ASN 25 -26.592 -0.097 -14.683 241 HD22 ASN 25 2HD2 ASN 25 -28.122 0.167 -13.926 242 H GLN 26 HN GLN 26 -24.906 1.478 -15.288 243 HA GLN 26 HA GLN 26 -26.428 3.016 -13.437 244 HB2 GLN 26 1HB GLN 26 -23.679 1.797 -13.370 245 HB3 GLN 26 2HB GLN 26 -24.263 2.807 -12.054 246 HG2 GLN 26 1HG GLN 26 -26.015 1.298 -11.551 247 HG3 GLN 26 2HG GLN 26 -25.742 0.384 -13.034 248 HE21 GLN 26 1HE2 GLN 26 -23.294 -0.309 -13.174 249 HE22 GLN 26 2HE2 GLN 26 -22.714 -1.121 -11.764 250 H LEU 27 HN LEU 27 -23.531 3.632 -15.362 251 HA LEU 27 HA LEU 27 -22.965 6.175 -14.240 252 HB2 LEU 27 1HB LEU 27 -21.135 6.015 -15.483 253 HB3 LEU 27 2HB LEU 27 -21.733 4.446 -16.020 254 HG LEU 27 HG LEU 27 -22.973 5.923 -17.824 255 HD11 LEU 27 1HD1 LEU 27 -20.557 7.567 -17.851 256 HD12 LEU 27 2HD1 LEU 27 -21.648 7.914 -16.510 257 HD13 LEU 27 3HD1 LEU 27 -22.235 8.005 -18.170 258 HD21 LEU 27 3HD2 LEU 27 -20.514 4.467 -17.703 259 HD22 LEU 27 1HD2 LEU 27 -20.342 5.824 -18.816 260 HD23 LEU 27 2HD2 LEU 27 -21.636 4.648 -19.052 261 H GLY 28 HN GLY 28 -25.422 5.120 -16.290 262 HA2 GLY 28 2HA GLY 28 -27.227 6.651 -16.780 263 HA3 GLY 28 3HA GLY 28 -26.027 7.915 -17.010 264 H LEU 29 HN LEU 29 -26.195 4.608 -18.304 265 HA LEU 29 HA LEU 29 -25.153 4.622 -20.651 266 HB2 LEU 29 1HB LEU 29 -26.987 3.370 -21.647 267 HB3 LEU 29 2HB LEU 29 -26.696 2.869 -19.982 268 HG LEU 29 HG LEU 29 -28.664 4.715 -19.643 269 HD11 LEU 29 1HD1 LEU 29 -29.823 5.095 -21.491 270 HD12 LEU 29 2HD1 LEU 29 -30.081 3.363 -21.705 271 HD13 LEU 29 3HD1 LEU 29 -28.664 4.138 -22.413 272 HD21 LEU 29 3HD2 LEU 29 -30.145 2.507 -19.842 273 HD22 LEU 29 1HD2 LEU 29 -29.024 2.784 -18.508 274 HD23 LEU 29 2HD2 LEU 29 -28.545 1.764 -19.865 275 HA PRO 30 HA PRO 30 -26.358 8.432 -22.639 276 HB2 PRO 30 1HB PRO 30 -24.767 8.107 -24.815 277 HB3 PRO 30 2HB PRO 30 -24.151 8.637 -23.245 278 HG2 PRO 30 1HG PRO 30 -24.100 5.909 -24.477 279 HG3 PRO 30 2HG PRO 30 -22.822 6.760 -23.589 280 HD2 PRO 30 1HD PRO 30 -24.369 4.853 -22.447 281 HD3 PRO 30 2HD PRO 30 -23.726 6.235 -21.535 282 H LYS 31 HN LYS 31 -26.539 8.741 -25.314 283 HA LYS 31 HA LYS 31 -28.997 7.461 -25.937 284 HB2 LYS 31 1HB LYS 31 -27.135 9.178 -27.581 285 HB3 LYS 31 2HB LYS 31 -28.681 8.588 -28.178 286 HG2 LYS 31 1HG LYS 31 -29.882 10.022 -26.900 287 HG3 LYS 31 2HG LYS 31 -28.700 10.020 -25.589 288 HD2 LYS 31 1HD LYS 31 -27.973 11.259 -28.206 289 HD3 LYS 31 2HD LYS 31 -29.025 12.143 -27.097 290 HE2 LYS 31 1HE LYS 31 -27.130 12.867 -26.154 291 HE3 LYS 31 2HE LYS 31 -27.029 11.258 -25.441 292 HZ1 LYS 31 3HZ LYS 31 -25.838 10.671 -27.632 293 HZ2 LYS 31 1HZ LYS 31 -24.982 11.511 -26.438 294 HZ3 LYS 31 2HZ LYS 31 -25.599 12.339 -27.778 295 H GLN 32 HN GLN 32 -25.747 6.554 -26.358 296 HA GLN 32 HA GLN 32 -26.393 4.046 -27.455 297 HB2 GLN 32 1HB GLN 32 -25.638 4.193 -29.688 298 HB3 GLN 32 2HB GLN 32 -26.718 5.563 -29.468 299 HG2 GLN 32 1HG GLN 32 -23.711 5.660 -29.376 300 HG3 GLN 32 2HG GLN 32 -24.724 6.175 -30.724 301 HE21 GLN 32 1HE2 GLN 32 -23.200 7.107 -27.884 302 HE22 GLN 32 2HE2 GLN 32 -23.931 8.661 -27.697 303 H GLY 33 HN GLY 33 -24.489 2.711 -27.852 304 HA2 GLY 33 2HA GLY 33 -21.859 3.672 -27.399 305 HA3 GLY 33 3HA GLY 33 -22.519 3.003 -25.914 306 H LYS 34 HN LYS 34 -21.287 2.314 -29.071 307 HA LYS 34 HA LYS 34 -21.983 -0.429 -29.196 308 HB2 LYS 34 1HB LYS 34 -19.590 0.882 -30.490 309 HB3 LYS 34 2HB LYS 34 -20.417 -0.581 -31.011 310 HG2 LYS 34 1HG LYS 34 -21.690 0.639 -32.342 311 HG3 LYS 34 2HG LYS 34 -22.352 1.467 -30.931 312 HD2 LYS 34 1HD LYS 34 -20.924 3.262 -31.148 313 HD3 LYS 34 2HD LYS 34 -19.702 2.320 -32.006 314 HE2 LYS 34 1HE LYS 34 -21.761 2.177 -33.752 315 HE3 LYS 34 2HE LYS 34 -22.062 3.757 -33.030 316 HZ1 LYS 34 3HZ LYS 34 -20.158 4.617 -33.889 317 HZ2 LYS 34 1HZ LYS 34 -20.476 3.464 -35.086 318 HZ3 LYS 34 2HZ LYS 34 -19.333 3.140 -33.883 319 H LYS 35 HN LYS 35 -20.073 -2.088 -29.418 320 HA LYS 35 HA LYS 35 -19.141 -2.728 -26.924 321 HB2 LYS 35 1HB LYS 35 -18.493 -3.538 -29.670 322 HB3 LYS 35 2HB LYS 35 -17.180 -3.788 -28.526 323 HG2 LYS 35 1HG LYS 35 -19.817 -4.695 -27.606 324 HG3 LYS 35 2HG LYS 35 -19.162 -5.562 -28.998 325 HD2 LYS 35 1HD LYS 35 -18.546 -6.581 -26.820 326 HD3 LYS 35 2HD LYS 35 -17.150 -6.092 -27.784 327 HE2 LYS 35 1HE LYS 35 -16.658 -4.304 -26.398 328 HE3 LYS 35 2HE LYS 35 -18.298 -4.217 -25.759 329 HZ1 LYS 35 3HZ LYS 35 -17.662 -6.583 -24.859 330 HZ2 LYS 35 1HZ LYS 35 -17.235 -5.181 -24.013 331 HZ3 LYS 35 2HZ LYS 35 -16.090 -5.969 -24.976 332 H GLN 36 HN GLN 36 -17.347 -0.997 -29.463 333 HA GLN 36 HA GLN 36 -15.025 -0.589 -27.885 334 HB2 GLN 36 1HB GLN 36 -16.045 0.388 -30.493 335 HB3 GLN 36 2HB GLN 36 -14.825 1.379 -29.704 336 HG2 GLN 36 1HG GLN 36 -14.493 -1.561 -30.235 337 HG3 GLN 36 2HG GLN 36 -13.950 -0.296 -31.336 338 HE21 GLN 36 1HE2 GLN 36 -13.512 -1.723 -28.175 339 HE22 GLN 36 2HE2 GLN 36 -11.928 -1.091 -27.896 340 H ASP 37 HN ASP 37 -17.798 1.480 -28.677 341 HA ASP 37 HA ASP 37 -16.985 3.810 -27.412 342 HB2 ASP 37 1HB ASP 37 -19.431 2.747 -28.482 343 HB3 ASP 37 2HB ASP 37 -19.765 3.565 -26.958 344 H LEU 38 HN LEU 38 -18.680 1.007 -26.059 345 HA LEU 38 HA LEU 38 -19.037 2.070 -23.469 346 HB2 LEU 38 1HB LEU 38 -18.838 -0.792 -24.392 347 HB3 LEU 38 2HB LEU 38 -19.368 -0.288 -22.789 348 HG LEU 38 HG LEU 38 -20.781 0.372 -25.373 349 HD11 LEU 38 1HD1 LEU 38 -21.466 -1.643 -23.238 350 HD12 LEU 38 2HD1 LEU 38 -20.890 -2.011 -24.863 351 HD13 LEU 38 3HD1 LEU 38 -22.458 -1.236 -24.638 352 HD21 LEU 38 3HD2 LEU 38 -20.894 1.687 -22.955 353 HD22 LEU 38 1HD2 LEU 38 -22.258 0.572 -22.876 354 HD23 LEU 38 2HD2 LEU 38 -22.131 1.716 -24.213 355 H ILE 39 HN ILE 39 -16.626 -0.257 -24.691 356 HA ILE 39 HA ILE 39 -15.121 -0.573 -22.407 357 HB ILE 39 HB ILE 39 -14.552 -0.805 -25.301 358 HG12 ILE 39 1HG1 ILE 39 -13.780 -3.035 -24.591 359 HG13 ILE 39 2HG1 ILE 39 -13.991 -2.571 -22.906 360 HG21 ILE 39 1HG2 ILE 39 -12.580 0.362 -24.815 361 HG22 ILE 39 2HG2 ILE 39 -12.406 -0.411 -23.240 362 HG23 ILE 39 3HG2 ILE 39 -12.123 -1.339 -24.713 363 HD11 ILE 39 3HD1 ILE 39 -16.102 -2.995 -24.994 364 HD12 ILE 39 1HD1 ILE 39 -15.868 -3.861 -23.476 365 HD13 ILE 39 2HD1 ILE 39 -16.425 -2.187 -23.460 366 H ASP 40 HN ASP 40 -14.575 1.825 -24.988 367 HA ASP 40 HA ASP 40 -12.433 3.142 -23.745 368 HB2 ASP 40 1HB ASP 40 -13.711 3.352 -26.164 369 HB3 ASP 40 2HB ASP 40 -14.175 4.856 -25.374 370 H ARG 41 HN ARG 41 -15.906 3.528 -23.439 371 HA ARG 41 HA ARG 41 -15.885 5.985 -22.045 372 HB2 ARG 41 1HB ARG 41 -17.854 3.783 -22.448 373 HB3 ARG 41 2HB ARG 41 -18.158 4.936 -21.155 374 HG2 ARG 41 1HG ARG 41 -17.675 5.700 -24.026 375 HG3 ARG 41 2HG ARG 41 -19.270 5.495 -23.299 376 HD2 ARG 41 1HD ARG 41 -18.508 7.202 -21.563 377 HD3 ARG 41 2HD ARG 41 -17.170 7.546 -22.660 378 HE ARG 41 HE ARG 41 -19.926 8.309 -22.987 379 HH11 ARG 41 1HH1 ARG 41 -16.900 7.706 -24.600 380 HH12 ARG 41 2HH1 ARG 41 -17.281 8.699 -25.967 381 HH21 ARG 41 1HH2 ARG 41 -20.439 9.619 -24.782 382 HH22 ARG 41 2HH2 ARG 41 -19.294 9.788 -26.069 383 H VAL 42 HN VAL 42 -16.026 2.619 -20.905 384 HA VAL 42 HA VAL 42 -16.208 3.083 -18.180 385 HB VAL 42 HB VAL 42 -14.848 0.857 -19.689 386 HG11 VAL 42 1HG1 VAL 42 -15.232 1.186 -16.722 387 HG12 VAL 42 2HG1 VAL 42 -14.937 -0.374 -17.493 388 HG13 VAL 42 3HG1 VAL 42 -13.727 0.905 -17.598 389 HG21 VAL 42 3HG2 VAL 42 -17.549 1.471 -19.038 390 HG22 VAL 42 1HG2 VAL 42 -16.913 0.075 -19.907 391 HG23 VAL 42 2HG2 VAL 42 -17.077 0.021 -18.152 392 H LEU 43 HN LEU 43 -13.249 2.645 -20.117 393 HA LEU 43 HA LEU 43 -11.420 3.034 -18.038 394 HB2 LEU 43 1HB LEU 43 -10.951 3.854 -20.890 395 HB3 LEU 43 2HB LEU 43 -9.764 3.308 -19.707 396 HG LEU 43 HG LEU 43 -11.739 1.691 -21.282 397 HD11 LEU 43 1HD1 LEU 43 -8.999 2.241 -21.492 398 HD12 LEU 43 2HD1 LEU 43 -9.936 1.061 -22.407 399 HD13 LEU 43 3HD1 LEU 43 -9.122 0.578 -20.919 400 HD21 LEU 43 3HD2 LEU 43 -12.105 0.875 -19.092 401 HD22 LEU 43 1HD2 LEU 43 -10.388 0.947 -18.699 402 HD23 LEU 43 2HD2 LEU 43 -10.978 -0.248 -19.854 403 H ALA 44 HN ALA 44 -12.939 5.345 -20.241 404 HA ALA 44 HA ALA 44 -11.480 7.614 -19.417 405 HB1 ALA 44 1HB ALA 44 -14.037 7.171 -20.880 406 HB2 ALA 44 2HB ALA 44 -13.653 8.792 -20.298 407 HB3 ALA 44 3HB ALA 44 -12.557 7.971 -21.409 408 H LEU 45 HN LEU 45 -14.172 5.926 -18.031 409 HA LEU 45 HA LEU 45 -15.053 8.067 -16.345 410 HB2 LEU 45 1HB LEU 45 -15.593 5.114 -16.411 411 HB3 LEU 45 2HB LEU 45 -16.240 6.153 -15.143 412 HG LEU 45 HG LEU 45 -16.830 6.359 -18.095 413 HD11 LEU 45 1HD1 LEU 45 -17.919 4.701 -16.104 414 HD12 LEU 45 2HD1 LEU 45 -18.522 4.975 -17.738 415 HD13 LEU 45 3HD1 LEU 45 -19.103 5.973 -16.406 416 HD21 LEU 45 3HD2 LEU 45 -18.675 7.886 -16.788 417 HD22 LEU 45 1HD2 LEU 45 -17.238 8.505 -17.602 418 HD23 LEU 45 2HD2 LEU 45 -17.209 8.213 -15.863 419 H LEU 46 HN LEU 46 -13.249 5.051 -15.756 420 HA LEU 46 HA LEU 46 -12.658 5.741 -13.042 421 HB2 LEU 46 1HB LEU 46 -11.088 3.724 -14.580 422 HB3 LEU 46 2HB LEU 46 -11.589 3.700 -12.891 423 HG LEU 46 HG LEU 46 -13.276 3.103 -15.315 424 HD11 LEU 46 1HD1 LEU 46 -13.029 0.941 -14.804 425 HD12 LEU 46 2HD1 LEU 46 -13.172 1.233 -13.071 426 HD13 LEU 46 3HD1 LEU 46 -11.623 1.471 -13.880 427 HD21 LEU 46 3HD2 LEU 46 -15.040 3.818 -14.166 428 HD22 LEU 46 1HD2 LEU 46 -14.057 4.133 -12.736 429 HD23 LEU 46 2HD2 LEU 46 -14.729 2.525 -13.007 430 H THR 47 HN THR 47 -11.424 6.761 -15.980 431 HA THR 47 HA THR 47 -8.791 7.386 -14.825 432 HB THR 47 HB THR 47 -9.654 7.416 -17.723 433 HG1 THR 47 1HG THR 47 -8.726 5.474 -17.854 434 HG21 THR 47 3HG2 THR 47 -7.908 8.793 -17.990 435 HG22 THR 47 1HG2 THR 47 -6.897 7.396 -17.626 436 HG23 THR 47 2HG2 THR 47 -7.339 8.523 -16.343 437 H ASP 48 HN ASP 48 -10.864 8.932 -17.277 438 HA ASP 48 HA ASP 48 -10.006 11.548 -16.565 439 HB2 ASP 48 1HB ASP 48 -11.669 10.333 -18.594 440 HB3 ASP 48 2HB ASP 48 -12.430 11.789 -17.959 441 H GLU 49 HN GLU 49 -12.188 9.440 -15.133 442 HA GLU 49 HA GLU 49 -13.392 11.657 -13.624 443 HB2 GLU 49 1HB GLU 49 -14.749 9.699 -15.266 444 HB3 GLU 49 2HB GLU 49 -15.275 9.582 -13.593 445 HG2 GLU 49 1HG GLU 49 -16.731 11.167 -14.206 446 HG3 GLU 49 2HG GLU 49 -15.368 12.250 -13.933 447 H GLN 50 HN GLN 50 -11.143 9.723 -13.171 448 HA GLN 50 HA GLN 50 -11.758 7.720 -11.372 449 HB2 GLN 50 1HB GLN 50 -9.495 7.763 -10.701 450 HB3 GLN 50 2HB GLN 50 -9.494 8.299 -12.376 451 HG2 GLN 50 1HG GLN 50 -9.644 10.360 -10.245 452 HG3 GLN 50 2HG GLN 50 -8.106 9.542 -10.515 453 HE21 GLN 50 1HE2 GLN 50 -10.436 11.755 -11.775 454 HE22 GLN 50 2HE2 GLN 50 -9.504 12.300 -13.125 455 H GLY 51 HN GLY 51 -11.937 11.132 -10.952 456 HA2 GLY 51 2HA GLY 51 -13.403 11.068 -8.611 457 HA3 GLY 51 3HA GLY 51 -11.724 11.199 -8.111 458 H GLN 52 HN GLN 52 -13.083 12.625 -11.025 459 HA GLN 52 HA GLN 52 -12.599 15.283 -9.852 460 HB2 GLN 52 1HB GLN 52 -11.944 14.132 -12.509 461 HB3 GLN 52 2HB GLN 52 -12.465 15.811 -12.477 462 HG2 GLN 52 1HG GLN 52 -10.540 15.413 -10.418 463 HG3 GLN 52 2HG GLN 52 -9.909 14.755 -11.927 464 HE21 GLN 52 1HE2 GLN 52 -11.861 17.575 -11.000 465 HE22 GLN 52 2HE2 GLN 52 -10.902 18.731 -11.853 466 H ARG 53 HN ARG 53 -14.944 14.681 -9.164 467 HA ARG 53 HA ARG 53 -16.721 16.009 -11.074 468 HB2 ARG 53 1HB ARG 53 -17.545 13.513 -9.589 469 HB3 ARG 53 2HB ARG 53 -18.470 14.387 -10.803 470 HG2 ARG 53 1HG ARG 53 -16.391 13.824 -12.313 471 HG3 ARG 53 2HG ARG 53 -16.180 12.526 -11.136 472 HD2 ARG 53 1HD ARG 53 -17.619 11.382 -12.413 473 HD3 ARG 53 2HD ARG 53 -18.858 12.394 -11.670 474 HE ARG 53 HE ARG 53 -17.681 13.595 -13.987 475 HH11 ARG 53 1HH1 ARG 53 -20.086 11.336 -12.877 476 HH12 ARG 53 2HH1 ARG 53 -21.082 11.504 -14.284 477 HH21 ARG 53 1HH2 ARG 53 -18.985 13.826 -15.845 478 HH22 ARG 53 2HH2 ARG 53 -20.454 12.920 -15.972 479 H HIS 54 HN HIS 54 -15.358 16.215 -8.224 480 HA HIS 54 HA HIS 54 -15.801 17.322 -6.286 481 HB2 HIS 54 1HB HIS 54 -16.725 19.025 -7.836 482 HB3 HIS 54 2HB HIS 54 -18.301 18.247 -7.719 483 HD1 HIS 54 1HD HIS 54 -19.802 19.198 -6.002 484 HD2 HIS 54 2HD HIS 54 -15.807 19.948 -5.145 485 HE1 HIS 54 1HE HIS 54 -19.816 20.645 -3.945 486 H HIS 55 HN HIS 55 -16.193 14.891 -5.766 487 HA HIS 55 HA HIS 55 -17.351 13.288 -4.630 488 HB2 HIS 55 1HB HIS 55 -19.160 15.195 -3.306 489 HB3 HIS 55 2HB HIS 55 -18.040 14.029 -2.606 490 HD1 HIS 55 1HD HIS 55 -15.359 14.925 -3.135 491 HD2 HIS 55 2HD HIS 55 -18.418 17.692 -2.638 492 HE1 HIS 55 1HE HIS 55 -14.222 17.081 -2.514 493 H GLY 56 HN GLY 56 -19.902 12.978 -3.752 494 HA2 GLY 56 2HA GLY 56 -22.197 13.201 -4.522 495 HA3 GLY 56 3HA GLY 56 -21.569 13.393 -6.152 496 H TRP 57 HN TRP 57 -20.675 10.990 -3.709 497 HA TRP 57 HA TRP 57 -21.572 8.902 -5.586 498 HB2 TRP 57 1HB TRP 57 -19.746 7.921 -3.579 499 HB3 TRP 57 2HB TRP 57 -19.593 7.891 -5.333 500 HD1 TRP 57 HD TRP 57 -18.386 10.071 -6.475 501 HE1 TRP 57 1HE TRP 57 -16.581 11.644 -5.530 502 HE3 TRP 57 3HE TRP 57 -18.891 8.992 -1.503 503 HZ2 TRP 57 2HZ TRP 57 -15.513 12.337 -3.011 504 HZ3 TRP 57 3HZ TRP 57 -17.440 10.154 0.109 505 HH2 TRP 57 HH TRP 57 -15.786 11.791 -0.631 506 H GLY 58 HN GLY 58 -22.441 10.391 -2.802 507 HA2 GLY 58 2HA GLY 58 -23.011 8.350 -0.985 508 HA3 GLY 58 3HA GLY 58 -23.899 9.861 -1.112 509 H ARG 59 HN ARG 59 -24.398 8.943 -4.044 510 HA ARG 59 HA ARG 59 -26.891 7.579 -3.403 511 HB2 ARG 59 1HB ARG 59 -26.563 9.613 -5.018 512 HB3 ARG 59 2HB ARG 59 -26.085 8.378 -6.175 513 HG2 ARG 59 1HG ARG 59 -28.362 8.733 -6.565 514 HG3 ARG 59 2HG ARG 59 -28.288 7.235 -5.635 515 HD2 ARG 59 1HD ARG 59 -30.069 8.699 -4.825 516 HD3 ARG 59 2HD ARG 59 -28.825 8.461 -3.598 517 HE ARG 59 HE ARG 59 -28.434 10.818 -5.194 518 HH11 ARG 59 1HH1 ARG 59 -30.018 9.487 -2.394 519 HH12 ARG 59 2HH1 ARG 59 -30.175 11.016 -1.595 520 HH21 ARG 59 1HH2 ARG 59 -28.635 12.837 -4.152 521 HH22 ARG 59 2HH2 ARG 59 -29.389 12.921 -2.595 522 H LYS 60 HN LYS 60 -25.060 5.800 -2.864 523 HA LYS 60 HA LYS 60 -24.390 3.666 -3.281 524 HB2 LYS 60 1HB LYS 60 -26.798 3.626 -4.233 525 HB3 LYS 60 2HB LYS 60 -26.018 3.676 -5.808 526 HG2 LYS 60 1HG LYS 60 -25.604 1.503 -5.736 527 HG3 LYS 60 2HG LYS 60 -24.804 1.656 -4.170 528 HD2 LYS 60 1HD LYS 60 -26.678 1.085 -3.005 529 HD3 LYS 60 2HD LYS 60 -27.768 1.784 -4.204 530 HE2 LYS 60 1HE LYS 60 -28.114 -0.234 -5.059 531 HE3 LYS 60 2HE LYS 60 -26.397 -0.371 -5.433 532 HZ1 LYS 60 3HZ LYS 60 -26.908 -0.846 -2.672 533 HZ2 LYS 60 1HZ LYS 60 -26.124 -1.831 -3.803 534 HZ3 LYS 60 2HZ LYS 60 -27.807 -1.897 -3.645 535 H ASN 61 HN ASN 61 -23.244 6.151 -4.708 536 HA ASN 61 HA ASN 61 -21.795 6.641 -6.446 537 HB2 ASN 61 1HB ASN 61 -19.734 5.158 -6.248 538 HB3 ASN 61 2HB ASN 61 -20.262 5.956 -4.769 539 HD21 ASN 61 1HD2 ASN 61 -20.728 2.936 -6.565 540 HD22 ASN 61 2HD2 ASN 61 -20.763 1.913 -5.173 541 H SER 62 HN SER 62 -23.911 5.406 -7.614 542 HA SER 62 HA SER 62 -23.077 3.129 -9.163 543 HB2 SER 62 1HB SER 62 -25.476 4.865 -9.735 544 HB3 SER 62 2HB SER 62 -25.252 3.155 -10.103 545 HG SER 62 HG SER 62 -25.030 3.065 -7.634 546 H LEU 63 HN LEU 63 -21.237 5.136 -9.520 547 HA LEU 63 HA LEU 63 -21.096 5.323 -12.325 548 HB2 LEU 63 1HB LEU 63 -21.102 7.942 -12.245 549 HB3 LEU 63 2HB LEU 63 -22.595 7.036 -12.479 550 HG LEU 63 HG LEU 63 -23.258 7.410 -10.212 551 HD11 LEU 63 1HD1 LEU 63 -21.666 9.022 -8.876 552 HD12 LEU 63 2HD1 LEU 63 -20.430 8.274 -9.887 553 HD13 LEU 63 3HD1 LEU 63 -21.436 7.273 -8.839 554 HD21 LEU 63 3HD2 LEU 63 -23.437 9.837 -10.172 555 HD22 LEU 63 1HD2 LEU 63 -23.699 9.218 -11.803 556 HD23 LEU 63 2HD2 LEU 63 -22.158 9.965 -11.380 557 H THR 64 HN THR 64 -19.558 4.725 -9.848 558 HA THR 64 HA THR 64 -17.166 6.280 -10.547 559 HB THR 64 HB THR 64 -17.046 5.627 -7.766 560 HG1 THR 64 1HG THR 64 -18.796 6.941 -7.050 561 HG21 THR 64 3HG2 THR 64 -16.260 7.772 -7.575 562 HG22 THR 64 1HG2 THR 64 -17.424 8.419 -8.730 563 HG23 THR 64 2HG2 THR 64 -16.019 7.520 -9.304 564 H LYS 65 HN LYS 65 -15.231 5.212 -9.200 565 HA LYS 65 HA LYS 65 -14.685 2.762 -10.343 566 HB2 LYS 65 1HB LYS 65 -12.964 2.543 -8.458 567 HB3 LYS 65 2HB LYS 65 -12.848 3.957 -9.497 568 HG2 LYS 65 1HG LYS 65 -13.743 5.374 -7.844 569 HG3 LYS 65 2HG LYS 65 -14.293 4.012 -6.866 570 HD2 LYS 65 1HD LYS 65 -11.387 4.233 -7.468 571 HD3 LYS 65 2HD LYS 65 -12.081 5.339 -6.279 572 HE2 LYS 65 1HE LYS 65 -12.819 2.491 -6.012 573 HE3 LYS 65 2HE LYS 65 -11.137 2.896 -5.670 574 HZ1 LYS 65 3HZ LYS 65 -11.735 4.255 -3.917 575 HZ2 LYS 65 1HZ LYS 65 -12.844 2.986 -3.773 576 HZ3 LYS 65 2HZ LYS 65 -13.325 4.456 -4.458 577 H GLU 66 HN GLU 66 -16.342 3.473 -7.343 578 HA GLU 66 HA GLU 66 -16.251 0.928 -6.170 579 HB2 GLU 66 1HB GLU 66 -18.320 3.119 -5.967 580 HB3 GLU 66 2HB GLU 66 -18.331 1.673 -4.967 581 HG2 GLU 66 1HG GLU 66 -16.048 2.303 -4.173 582 HG3 GLU 66 2HG GLU 66 -16.237 3.829 -5.035 583 H ALA 67 HN ALA 67 -18.706 2.394 -8.286 584 HA ALA 67 HA ALA 67 -20.391 0.129 -8.381 585 HB1 ALA 67 1HB ALA 67 -20.769 1.524 -10.768 586 HB2 ALA 67 2HB ALA 67 -21.681 1.706 -9.268 587 HB3 ALA 67 3HB ALA 67 -20.290 2.743 -9.586 588 H VAL 68 HN VAL 68 -18.032 1.368 -10.753 589 HA VAL 68 HA VAL 68 -18.260 -0.670 -12.627 590 HB VAL 68 HB VAL 68 -15.789 0.913 -11.907 591 HG11 VAL 68 1HG1 VAL 68 -15.047 0.373 -14.198 592 HG12 VAL 68 2HG1 VAL 68 -15.190 -1.059 -13.177 593 HG13 VAL 68 3HG1 VAL 68 -16.436 -0.699 -14.373 594 HG21 VAL 68 3HG2 VAL 68 -18.117 1.429 -13.718 595 HG22 VAL 68 1HG2 VAL 68 -17.365 2.498 -12.534 596 HG23 VAL 68 2HG2 VAL 68 -16.542 2.147 -14.054 597 H ALA 69 HN ALA 69 -16.100 -0.443 -9.819 598 HA ALA 69 HA ALA 69 -14.818 -2.940 -10.289 599 HB1 ALA 69 1HB ALA 69 -13.933 -2.670 -8.010 600 HB2 ALA 69 2HB ALA 69 -13.730 -1.213 -8.984 601 HB3 ALA 69 3HB ALA 69 -15.008 -1.292 -7.771 602 H LYS 70 HN LYS 70 -17.727 -1.969 -8.643 603 HA LYS 70 HA LYS 70 -18.097 -4.239 -7.019 604 HB2 LYS 70 1HB LYS 70 -19.397 -2.261 -6.611 605 HB3 LYS 70 2HB LYS 70 -20.074 -2.307 -8.233 606 HG2 LYS 70 1HG LYS 70 -21.280 -4.344 -7.698 607 HG3 LYS 70 2HG LYS 70 -20.566 -4.359 -6.084 608 HD2 LYS 70 1HD LYS 70 -22.603 -3.379 -5.655 609 HD3 LYS 70 2HD LYS 70 -21.599 -1.955 -5.938 610 HE2 LYS 70 1HE LYS 70 -22.372 -1.891 -8.267 611 HE3 LYS 70 2HE LYS 70 -23.389 -3.298 -7.962 612 HZ1 LYS 70 3HZ LYS 70 -24.097 -0.671 -7.637 613 HZ2 LYS 70 1HZ LYS 70 -23.861 -1.233 -6.059 614 HZ3 LYS 70 2HZ LYS 70 -24.955 -2.018 -7.082 615 H ILE 71 HN ILE 71 -19.368 -3.471 -10.255 616 HA ILE 71 HA ILE 71 -20.644 -5.990 -10.595 617 HB ILE 71 HB ILE 71 -19.764 -4.196 -12.845 618 HG12 ILE 71 1HG1 ILE 71 -20.840 -2.756 -11.214 619 HG13 ILE 71 2HG1 ILE 71 -21.935 -3.017 -12.567 620 HG21 ILE 71 1HG2 ILE 71 -20.679 -6.316 -13.528 621 HG22 ILE 71 2HG2 ILE 71 -22.080 -6.090 -12.482 622 HG23 ILE 71 3HG2 ILE 71 -21.847 -5.044 -13.882 623 HD11 ILE 71 3HD1 ILE 71 -22.184 -3.798 -9.750 624 HD12 ILE 71 1HD1 ILE 71 -23.424 -3.389 -10.935 625 HD13 ILE 71 2HD1 ILE 71 -22.712 -5.003 -10.924 626 H VAL 72 HN VAL 72 -17.651 -4.617 -11.957 627 HA VAL 72 HA VAL 72 -16.815 -6.787 -13.451 628 HB VAL 72 HB VAL 72 -15.162 -4.775 -11.927 629 HG11 VAL 72 1HG1 VAL 72 -13.405 -6.093 -12.304 630 HG12 VAL 72 2HG1 VAL 72 -14.347 -7.181 -13.326 631 HG13 VAL 72 3HG1 VAL 72 -13.620 -5.730 -14.017 632 HG21 VAL 72 3HG2 VAL 72 -16.658 -3.950 -13.747 633 HG22 VAL 72 1HG2 VAL 72 -14.943 -3.652 -14.031 634 HG23 VAL 72 2HG2 VAL 72 -15.762 -4.966 -14.876 635 H ASP 73 HN ASP 73 -16.411 -6.180 -9.998 636 HA ASP 73 HA ASP 73 -14.721 -8.415 -9.509 637 HB2 ASP 73 1HB ASP 73 -16.370 -6.616 -7.752 638 HB3 ASP 73 2HB ASP 73 -15.549 -8.025 -7.087 639 H ASP 74 HN ASP 74 -18.209 -7.874 -9.181 640 HA ASP 74 HA ASP 74 -18.887 -10.335 -8.047 641 HB2 ASP 74 1HB ASP 74 -20.284 -8.128 -9.335 642 HB3 ASP 74 2HB ASP 74 -21.040 -9.681 -9.680 643 H THR 75 HN THR 75 -18.475 -9.390 -11.423 644 HA THR 75 HA THR 75 -19.370 -11.867 -12.509 645 HB THR 75 HB THR 75 -17.496 -10.479 -14.229 646 HG1 THR 75 1HG THR 75 -18.172 -8.468 -14.027 647 HG21 THR 75 3HG2 THR 75 -20.291 -10.221 -14.918 648 HG22 THR 75 1HG2 THR 75 -19.909 -11.867 -14.416 649 HG23 THR 75 2HG2 THR 75 -19.012 -11.119 -15.737 650 H TYR 76 HN TYR 76 -16.167 -10.492 -11.842 651 HA TYR 76 HA TYR 76 -14.701 -12.692 -12.860 652 HB2 TYR 76 1HB TYR 76 -13.914 -10.275 -12.321 653 HB3 TYR 76 2HB TYR 76 -13.664 -10.891 -10.691 654 HD1 TYR 76 2HD TYR 76 -13.028 -12.386 -14.057 655 HD2 TYR 76 1HD TYR 76 -11.394 -11.134 -10.333 656 HE1 TYR 76 2HE TYR 76 -10.832 -13.265 -14.731 657 HE2 TYR 76 1HE TYR 76 -9.194 -12.009 -10.997 658 HH TYR 76 HH TYR 76 -8.161 -12.495 -13.742 659 H ARG 77 HN ARG 77 -16.197 -12.015 -9.790 660 HA ARG 77 HA ARG 77 -14.805 -14.049 -8.330 661 HB2 ARG 77 1HB ARG 77 -16.988 -12.129 -7.802 662 HB3 ARG 77 2HB ARG 77 -17.043 -13.615 -6.863 663 HG2 ARG 77 1HG ARG 77 -15.341 -12.988 -5.569 664 HG3 ARG 77 2HG ARG 77 -14.392 -12.416 -6.943 665 HD2 ARG 77 1HD ARG 77 -16.455 -10.579 -6.734 666 HD3 ARG 77 2HD ARG 77 -16.024 -10.930 -5.061 667 HE ARG 77 HE ARG 77 -14.402 -9.573 -7.034 668 HH11 ARG 77 1HH1 ARG 77 -14.489 -11.227 -3.972 669 HH12 ARG 77 2HH1 ARG 77 -13.020 -10.512 -3.396 670 HH21 ARG 77 1HH2 ARG 77 -12.467 -8.625 -6.288 671 HH22 ARG 77 2HH2 ARG 77 -11.871 -9.031 -4.714 672 H LYS 78 HN LYS 78 -18.133 -13.764 -9.574 673 HA LYS 78 HA LYS 78 -18.940 -16.366 -8.889 674 HB2 LYS 78 1HB LYS 78 -20.225 -14.200 -9.844 675 HB3 LYS 78 2HB LYS 78 -20.110 -15.144 -11.324 676 HG2 LYS 78 1HG LYS 78 -21.361 -16.916 -10.413 677 HG3 LYS 78 2HG LYS 78 -21.200 -16.288 -8.771 678 HD2 LYS 78 1HD LYS 78 -22.615 -14.776 -10.953 679 HD3 LYS 78 2HD LYS 78 -23.443 -15.935 -9.911 680 HE2 LYS 78 1HE LYS 78 -23.315 -14.588 -8.083 681 HE3 LYS 78 2HE LYS 78 -21.783 -13.873 -8.582 682 HZ1 LYS 78 3HZ LYS 78 -24.044 -13.233 -10.272 683 HZ2 LYS 78 1HZ LYS 78 -22.813 -12.233 -9.684 684 HZ3 LYS 78 2HZ LYS 78 -24.136 -12.612 -8.702 685 H MET 79 HN MET 79 -17.434 -15.064 -11.806 686 HA MET 79 HA MET 79 -17.588 -17.547 -13.237 687 HB2 MET 79 1HB MET 79 -17.380 -15.069 -14.118 688 HB3 MET 79 2HB MET 79 -15.656 -15.391 -13.980 689 HG2 MET 79 1HG MET 79 -16.499 -17.605 -15.297 690 HG3 MET 79 2HG MET 79 -17.616 -16.389 -15.912 691 HE1 MET 79 3HE MET 79 -16.860 -14.085 -16.623 692 HE2 MET 79 1HE MET 79 -15.501 -13.863 -17.725 693 HE3 MET 79 2HE MET 79 -16.828 -14.936 -18.168 694 H GLN 80 HN GLN 80 -14.924 -15.691 -11.767 695 HA GLN 80 HA GLN 80 -13.479 -18.225 -11.407 696 HB2 GLN 80 1HB GLN 80 -12.678 -16.686 -13.357 697 HB3 GLN 80 2HB GLN 80 -11.992 -15.707 -12.067 698 HG2 GLN 80 1HG GLN 80 -10.285 -17.095 -11.792 699 HG3 GLN 80 2HG GLN 80 -11.339 -18.508 -11.757 700 HE21 GLN 80 1HE2 GLN 80 -12.360 -18.837 -14.090 701 HE22 GLN 80 2HE2 GLN 80 -11.183 -18.917 -15.351 702 H ILE 81 HN ILE 81 -14.520 -17.920 -9.258 703 HA ILE 81 HA ILE 81 -14.285 -15.984 -7.437 704 HB ILE 81 HB ILE 81 -13.790 -18.925 -7.064 705 HG12 ILE 81 1HG1 ILE 81 -16.072 -18.058 -7.640 706 HG13 ILE 81 2HG1 ILE 81 -15.997 -18.921 -6.108 707 HG21 ILE 81 1HG2 ILE 81 -14.061 -18.463 -4.599 708 HG22 ILE 81 2HG2 ILE 81 -12.521 -17.974 -5.306 709 HG23 ILE 81 3HG2 ILE 81 -13.761 -16.766 -4.970 710 HD11 ILE 81 3HD1 ILE 81 -15.992 -15.930 -6.427 711 HD12 ILE 81 1HD1 ILE 81 -17.380 -16.916 -5.971 712 HD13 ILE 81 2HD1 ILE 81 -15.979 -16.818 -4.904 713 H GLN 82 HN GLN 82 -11.628 -18.180 -8.295 714 HA GLN 82 HA GLN 82 -9.374 -18.014 -8.047 715 HB2 GLN 82 1HB GLN 82 -9.620 -15.914 -9.252 716 HB3 GLN 82 2HB GLN 82 -10.020 -15.075 -7.760 717 HG2 GLN 82 1HG GLN 82 -7.734 -15.750 -6.921 718 HG3 GLN 82 2HG GLN 82 -7.379 -16.244 -8.576 719 HE21 GLN 82 1HE2 GLN 82 -8.975 -14.124 -9.749 720 HE22 GLN 82 2HE2 GLN 82 -8.071 -12.665 -9.547 721 H CYS 83 HN CYS 83 -9.856 -15.242 -5.963 722 HA CYS 83 HA CYS 83 -10.093 -16.458 -3.489 723 HB2 CYS 83 1HB CYS 83 -7.584 -17.031 -4.601 724 HB3 CYS 83 2HB CYS 83 -7.283 -15.769 -3.413 725 HG CYS 83 HG CYS 83 -6.820 -18.360 -2.334 726 H ALA 84 HN ALA 84 -10.784 -14.053 -4.918 727 HA ALA 84 HA ALA 84 -11.137 -11.847 -4.480 728 HB1 ALA 84 1HB ALA 84 -9.745 -12.038 -1.851 729 HB2 ALA 84 2HB ALA 84 -11.210 -11.159 -2.291 730 HB3 ALA 84 3HB ALA 84 -11.259 -12.910 -2.089 731 HA PRO 85 HA PRO 85 -6.868 -10.847 -5.815 732 HB2 PRO 85 1HB PRO 85 -7.663 -9.231 -7.846 733 HB3 PRO 85 2HB PRO 85 -7.543 -10.987 -8.007 734 HG2 PRO 85 1HG PRO 85 -9.959 -9.291 -7.508 735 HG3 PRO 85 2HG PRO 85 -9.771 -10.677 -8.598 736 HD2 PRO 85 1HD PRO 85 -10.951 -10.883 -6.169 737 HD3 PRO 85 2HD PRO 85 -10.022 -12.210 -6.895 738 H ASP 86 HN ASP 86 -9.413 -9.168 -4.411 739 HA ASP 86 HA ASP 86 -9.650 -7.118 -3.441 740 HB2 ASP 86 1HB ASP 86 -6.657 -6.973 -3.231 741 HB3 ASP 86 2HB ASP 86 -7.876 -6.449 -2.072 742 H LEU 87 HN LEU 87 -10.045 -6.674 -5.940 743 HA LEU 87 HA LEU 87 -8.349 -5.255 -7.543 744 HB2 LEU 87 1HB LEU 87 -10.564 -5.908 -8.252 745 HB3 LEU 87 2HB LEU 87 -11.294 -4.793 -7.098 746 HG LEU 87 HG LEU 87 -9.497 -3.504 -9.017 747 HD11 LEU 87 1HD1 LEU 87 -10.751 -5.476 -10.228 748 HD12 LEU 87 2HD1 LEU 87 -10.608 -3.886 -10.977 749 HD13 LEU 87 3HD1 LEU 87 -12.106 -4.348 -10.169 750 HD21 LEU 87 3HD2 LEU 87 -12.015 -3.017 -7.592 751 HD22 LEU 87 1HD2 LEU 87 -11.938 -2.329 -9.214 752 HD23 LEU 87 2HD2 LEU 87 -10.714 -1.904 -8.018 753 H ALA 88 HN ALA 88 -10.839 -3.514 -5.696 754 HA ALA 88 HA ALA 88 -9.170 -1.154 -5.629 755 HB1 ALA 88 1HB ALA 88 -11.091 -0.049 -4.649 756 HB2 ALA 88 2HB ALA 88 -11.584 -0.985 -6.061 757 HB3 ALA 88 3HB ALA 88 -11.905 -1.600 -4.440 758 H THR 89 HN THR 89 -9.996 -3.768 -3.527 759 HA THR 89 HA THR 89 -9.327 -4.335 -1.426 760 HB THR 89 HB THR 89 -7.333 -2.202 -1.095 761 HG1 THR 89 1HG THR 89 -7.322 -3.909 -3.367 762 HG21 THR 89 3HG2 THR 89 -7.655 -5.073 -0.617 763 HG22 THR 89 1HG2 THR 89 -6.741 -3.870 0.291 764 HG23 THR 89 2HG2 THR 89 -6.036 -4.614 -1.145 765 H ARG 90 HN ARG 90 -10.968 -3.845 -0.082 766 HA ARG 90 HA ARG 90 -11.699 -1.162 0.580 767 HB2 ARG 90 1HB ARG 90 -12.519 -3.600 2.141 768 HB3 ARG 90 2HB ARG 90 -13.411 -2.104 1.895 769 HG2 ARG 90 1HG ARG 90 -14.531 -3.189 0.316 770 HG3 ARG 90 2HG ARG 90 -13.067 -3.072 -0.663 771 HD2 ARG 90 1HD ARG 90 -12.393 -5.231 0.678 772 HD3 ARG 90 2HD ARG 90 -14.136 -5.374 0.899 773 HE ARG 90 HE ARG 90 -12.669 -5.895 -1.484 774 HH11 ARG 90 1HH1 ARG 90 -15.719 -4.721 -0.285 775 HH12 ARG 90 2HH1 ARG 90 -16.600 -5.171 -1.707 776 HH21 ARG 90 1HH2 ARG 90 -13.818 -6.493 -3.362 777 HH22 ARG 90 2HH2 ARG 90 -15.518 -6.180 -3.457 778 H SER 91 HN SER 91 -9.495 -0.527 1.273 779 HA SER 91 HA SER 91 -9.336 -0.407 4.100 780 HB2 SER 91 1HB SER 91 -7.599 -2.384 2.675 781 HB3 SER 91 2HB SER 91 -6.934 -1.505 4.053 782 HG SER 91 HG SER 91 -8.222 -3.638 4.292 783 H HIS 92 HN HIS 92 -9.297 1.303 1.735 784 HA HIS 92 HA HIS 92 -6.652 2.561 2.036 785 HB2 HIS 92 1HB HIS 92 -8.560 2.370 -0.252 786 HB3 HIS 92 2HB HIS 92 -7.548 3.805 -0.126 787 HD1 HIS 92 1HD HIS 92 -5.907 0.769 1.098 788 HD2 HIS 92 2HD HIS 92 -6.315 2.754 -2.529 789 HE1 HIS 92 1HE HIS 92 -4.123 -0.186 -0.396 790 H SER 93 HN SER 93 -10.088 3.013 2.312 791 HA SER 93 HA SER 93 -9.888 5.185 4.060 792 HB2 SER 93 1HB SER 93 -9.181 6.571 2.255 793 HB3 SER 93 2HB SER 93 -10.414 5.917 1.178 794 HG SER 93 HG SER 93 -10.786 7.597 3.430 795 H GLY 94 HN GLY 94 -11.339 3.350 4.769 796 HA2 GLY 94 2HA GLY 94 -13.663 3.530 5.555 797 HA3 GLY 94 3HA GLY 94 -14.105 3.928 3.901 798 H SER 95 HN SER 95 -13.806 1.467 6.181 799 HA SER 95 HA SER 95 -14.642 -0.506 4.223 800 HB2 SER 95 1HB SER 95 -12.179 -0.705 4.216 801 HB3 SER 95 2HB SER 95 -12.204 -0.976 5.959 802 HG SER 95 HG SER 95 -13.261 -2.899 5.634 803 H ASP 96 HN ASP 96 -15.416 0.965 6.837 804 HA ASP 96 HA ASP 96 -16.406 -1.444 8.214 805 HB2 ASP 96 1HB ASP 96 -15.214 1.061 9.356 806 HB3 ASP 96 2HB ASP 96 -16.400 0.149 10.286 807 H PHE 97 HN PHE 97 -17.207 1.240 6.462 808 HA PHE 97 HA PHE 97 -19.804 1.585 7.789 809 HB2 PHE 97 1HB PHE 97 -17.991 3.417 6.588 810 HB3 PHE 97 2HB PHE 97 -19.458 3.408 5.615 811 HD1 PHE 97 2HD PHE 97 -21.611 4.042 6.610 812 HD2 PHE 97 1HD PHE 97 -17.966 4.320 8.791 813 HE1 PHE 97 2HE PHE 97 -22.708 5.510 8.251 814 HE2 PHE 97 1HE PHE 97 -19.058 5.789 10.436 815 HZ PHE 97 HZ PHE 97 -21.432 6.386 10.167 816 H SER 98 HN SER 98 -18.635 -0.438 5.656 817 HA SER 98 HA SER 98 -21.100 -1.062 4.457 818 HB2 SER 98 1HB SER 98 -20.201 1.077 3.182 819 HB3 SER 98 2HB SER 98 -19.213 -0.116 2.339 820 HG SER 98 HG SER 98 -21.613 0.500 1.718 821 H PHE 99 HN PHE 99 -19.355 -2.585 5.831 822 HA PHE 99 HA PHE 99 -17.521 -3.995 4.152 823 HB2 PHE 99 1HB PHE 99 -17.565 -3.748 6.758 824 HB3 PHE 99 2HB PHE 99 -18.627 -5.151 6.687 825 HD1 PHE 99 2HD PHE 99 -17.629 -6.987 4.898 826 HD2 PHE 99 1HD PHE 99 -15.394 -4.240 7.259 827 HE1 PHE 99 2HE PHE 99 -15.668 -8.465 4.754 828 HE2 PHE 99 1HE PHE 99 -13.428 -5.713 7.118 829 HZ PHE 99 HZ PHE 99 -13.564 -7.829 5.865 830 H ARG 100 HN ARG 100 -19.069 -4.411 2.394 831 HA ARG 100 HA ARG 100 -21.349 -5.947 2.539 832 HB2 ARG 100 1HB ARG 100 -19.418 -5.234 0.475 833 HB3 ARG 100 2HB ARG 100 -20.135 -6.817 0.202 834 HG2 ARG 100 1HG ARG 100 -22.380 -5.590 0.638 835 HG3 ARG 100 2HG ARG 100 -21.444 -4.137 0.281 836 HD2 ARG 100 1HD ARG 100 -21.855 -6.531 -1.504 837 HD3 ARG 100 2HD ARG 100 -22.488 -4.902 -1.742 838 HE ARG 100 HE ARG 100 -19.809 -4.525 -1.668 839 HH11 ARG 100 1HH1 ARG 100 -21.884 -6.641 -3.494 840 HH12 ARG 100 2HH1 ARG 100 -20.840 -6.687 -4.876 841 HH21 ARG 100 1HH2 ARG 100 -18.426 -4.577 -3.482 842 HH22 ARG 100 2HH2 ARG 100 -18.873 -5.513 -4.868 843 HA PRO 101 HA PRO 101 -20.244 -10.066 3.568 844 HB2 PRO 101 1HB PRO 101 -21.831 -11.530 1.922 845 HB3 PRO 101 2HB PRO 101 -22.456 -10.626 3.307 846 HG2 PRO 101 1HG PRO 101 -22.439 -9.878 0.408 847 HG3 PRO 101 2HG PRO 101 -23.736 -9.695 1.603 848 HD2 PRO 101 1HD PRO 101 -22.137 -7.639 0.862 849 HD3 PRO 101 2HD PRO 101 -22.813 -7.781 2.497 850 H ILE 102 HN ILE 102 -19.926 -12.334 2.285 851 HA ILE 102 HA ILE 102 -18.301 -11.887 -0.105 852 HB ILE 102 HB ILE 102 -17.190 -13.615 2.079 853 HG12 ILE 102 1HG1 ILE 102 -17.088 -10.630 1.855 854 HG13 ILE 102 2HG1 ILE 102 -17.255 -11.635 3.291 855 HG21 ILE 102 1HG2 ILE 102 -15.226 -13.564 0.871 856 HG22 ILE 102 2HG2 ILE 102 -16.434 -13.521 -0.412 857 HG23 ILE 102 3HG2 ILE 102 -15.624 -12.036 0.086 858 HD11 ILE 102 3HD1 ILE 102 -14.803 -10.879 1.780 859 HD12 ILE 102 1HD1 ILE 102 -15.118 -10.836 3.515 860 HD13 ILE 102 2HD1 ILE 102 -14.831 -12.378 2.708 861 H GLU 103 HN GLU 103 -20.886 -13.126 0.356 862 HA GLU 103 HA GLU 103 -22.067 -15.011 -0.140 863 HB2 GLU 103 1HB GLU 103 -19.626 -15.433 -1.869 864 HB3 GLU 103 2HB GLU 103 -21.084 -16.408 -1.983 865 HG2 GLU 103 1HG GLU 103 -21.325 -14.843 -3.676 866 HG3 GLU 103 2HG GLU 103 -22.310 -14.197 -2.364 867 H GLU 104 HN GLU 104 -20.571 -15.180 2.239 868 HA GLU 104 HA GLU 104 -19.108 -17.607 2.414 869 HB2 GLU 104 1HB GLU 104 -19.111 -15.579 4.019 870 HB3 GLU 104 2HB GLU 104 -20.530 -16.330 4.735 871 HG2 GLU 104 1HG GLU 104 -18.291 -18.166 4.397 872 HG3 GLU 104 2HG GLU 104 -17.935 -16.800 5.453 873 H ALA 105 HN ALA 105 -20.451 -19.150 1.378 874 HA ALA 105 HA ALA 105 -23.041 -19.772 2.496 875 HB1 ALA 105 1HB ALA 105 -23.291 -20.445 0.388 876 HB2 ALA 105 2HB ALA 105 -21.550 -20.467 0.109 877 HB3 ALA 105 3HB ALA 105 -22.345 -21.867 0.829 Start of MODEL 16 1 H1 GLY -5 HN GLY -5 4.238 3.662 -8.037 2 HA2 GLY -5 2HA GLY -5 5.261 5.661 -7.101 3 HA3 GLY -5 3HA GLY -5 3.939 6.159 -8.147 4 H SER -4 HN SER -4 2.008 4.998 -6.127 5 HA SER -4 HA SER -4 2.323 6.601 -3.768 6 HB2 SER -4 1HB SER -4 0.426 7.459 -5.946 7 HB3 SER -4 2HB SER -4 0.139 7.880 -4.258 8 HG SER -4 HG SER -4 1.537 9.269 -5.843 9 H HIS -3 HN HIS -3 1.802 3.828 -4.521 10 HA HIS -3 HA HIS -3 0.549 2.058 -3.834 11 HB2 HIS -3 1HB HIS -3 -0.918 3.838 -1.916 12 HB3 HIS -3 2HB HIS -3 -0.408 2.165 -1.709 13 HD1 HIS -3 1HD HIS -3 2.372 1.939 -1.649 14 HD2 HIS -3 2HD HIS -3 0.669 5.581 -0.602 15 HE1 HIS -3 1HE HIS -3 4.138 3.154 -0.334 16 H MET -2 HN MET -2 -0.645 1.710 -5.679 17 HA MET -2 HA MET -2 -2.542 1.433 -6.905 18 HB2 MET -2 1HB MET -2 -3.502 1.974 -4.220 19 HB3 MET -2 2HB MET -2 -4.622 2.572 -5.436 20 HG2 MET -2 1HG MET -2 -5.438 0.509 -5.482 21 HG3 MET -2 2HG MET -2 -3.982 0.078 -6.377 22 HE1 MET -2 3HE MET -2 -2.701 -2.656 -4.638 23 HE2 MET -2 1HE MET -2 -2.726 -1.538 -6.001 24 HE3 MET -2 2HE MET -2 -1.635 -1.251 -4.646 25 H ALA -1 HN ALA -1 -1.434 3.159 -8.178 26 HA ALA -1 HA ALA -1 -2.604 5.812 -8.005 27 HB1 ALA -1 1HB ALA -1 -0.389 4.592 -9.599 28 HB2 ALA -1 2HB ALA -1 -1.086 6.138 -10.084 29 HB3 ALA -1 3HB ALA -1 -0.348 5.964 -8.491 30 H SER 1 HN SER 1 -4.467 3.785 -8.597 31 HA SER 1 HA SER 1 -6.292 3.540 -9.950 32 HB2 SER 1 1HB SER 1 -5.423 6.071 -10.598 33 HB3 SER 1 2HB SER 1 -5.411 5.256 -12.161 34 HG SER 1 HG SER 1 -7.458 5.858 -12.041 35 H ALA 2 HN ALA 2 -3.188 2.774 -10.662 36 HA ALA 2 HA ALA 2 -3.431 1.795 -13.330 37 HB1 ALA 2 1HB ALA 2 -1.227 1.682 -13.118 38 HB2 ALA 2 2HB ALA 2 -1.367 2.059 -11.401 39 HB3 ALA 2 3HB ALA 2 -1.401 0.381 -11.940 40 H ASP 3 HN ASP 3 -3.957 0.438 -10.138 41 HA ASP 3 HA ASP 3 -4.256 -2.260 -11.094 42 HB2 ASP 3 1HB ASP 3 -3.459 -1.732 -8.798 43 HB3 ASP 3 2HB ASP 3 -5.053 -1.083 -8.423 44 H LEU 4 HN LEU 4 -6.400 0.386 -10.172 45 HA LEU 4 HA LEU 4 -8.811 -1.098 -10.351 46 HB2 LEU 4 1HB LEU 4 -8.553 1.041 -9.128 47 HB3 LEU 4 2HB LEU 4 -8.404 1.871 -10.675 48 HG LEU 4 HG LEU 4 -10.812 0.418 -10.786 49 HD11 LEU 4 1HD1 LEU 4 -10.536 1.954 -8.206 50 HD12 LEU 4 2HD1 LEU 4 -10.730 0.208 -8.358 51 HD13 LEU 4 3HD1 LEU 4 -12.032 1.287 -8.860 52 HD21 LEU 4 3HD2 LEU 4 -10.155 2.641 -11.793 53 HD22 LEU 4 1HD2 LEU 4 -10.503 3.355 -10.218 54 HD23 LEU 4 2HD2 LEU 4 -11.783 2.546 -11.122 55 H VAL 5 HN VAL 5 -7.031 0.934 -12.633 56 HA VAL 5 HA VAL 5 -8.980 0.748 -14.709 57 HB VAL 5 HB VAL 5 -6.067 1.536 -14.784 58 HG11 VAL 5 1HG1 VAL 5 -6.484 0.825 -16.971 59 HG12 VAL 5 2HG1 VAL 5 -8.138 1.441 -16.953 60 HG13 VAL 5 3HG1 VAL 5 -6.779 2.563 -17.023 61 HG21 VAL 5 3HG2 VAL 5 -8.305 3.425 -15.278 62 HG22 VAL 5 1HG2 VAL 5 -8.014 2.904 -13.618 63 HG23 VAL 5 2HG2 VAL 5 -6.733 3.703 -14.529 64 H SER 6 HN SER 6 -5.822 -0.811 -14.185 65 HA SER 6 HA SER 6 -5.847 -2.417 -16.477 66 HB2 SER 6 1HB SER 6 -3.865 -1.991 -14.988 67 HB3 SER 6 2HB SER 6 -4.562 -3.123 -13.830 68 HG SER 6 HG SER 6 -3.701 -4.646 -14.972 69 H SER 7 HN SER 7 -7.189 -2.933 -13.265 70 HA SER 7 HA SER 7 -7.915 -5.660 -13.732 71 HB2 SER 7 1HB SER 7 -7.543 -4.861 -11.457 72 HB3 SER 7 2HB SER 7 -8.856 -3.695 -11.628 73 HG SER 7 HG SER 7 -9.167 -5.971 -10.622 74 H CYS 8 HN CYS 8 -9.786 -2.635 -13.523 75 HA CYS 8 HA CYS 8 -12.276 -3.716 -14.169 76 HB2 CYS 8 1HB CYS 8 -11.095 -0.966 -14.447 77 HB3 CYS 8 2HB CYS 8 -12.720 -1.307 -15.029 78 HG CYS 8 HG CYS 8 -13.314 -2.408 -12.321 79 H LYS 9 HN LYS 9 -9.728 -2.420 -16.254 80 HA LYS 9 HA LYS 9 -11.180 -2.651 -18.677 81 HB2 LYS 9 1HB LYS 9 -9.318 -1.184 -18.673 82 HB3 LYS 9 2HB LYS 9 -8.242 -2.428 -18.048 83 HG2 LYS 9 1HG LYS 9 -9.432 -3.209 -20.567 84 HG3 LYS 9 2HG LYS 9 -8.558 -1.680 -20.693 85 HD2 LYS 9 1HD LYS 9 -7.076 -3.610 -19.134 86 HD3 LYS 9 2HD LYS 9 -7.471 -4.247 -20.732 87 HE2 LYS 9 1HE LYS 9 -6.338 -1.492 -20.405 88 HE3 LYS 9 2HE LYS 9 -5.285 -2.906 -20.427 89 HZ1 LYS 9 3HZ LYS 9 -5.815 -1.671 -22.619 90 HZ2 LYS 9 1HZ LYS 9 -7.268 -2.536 -22.568 91 HZ3 LYS 9 2HZ LYS 9 -5.793 -3.362 -22.607 92 H ASP 10 HN ASP 10 -8.592 -4.679 -17.296 93 HA ASP 10 HA ASP 10 -8.538 -6.666 -19.210 94 HB2 ASP 10 1HB ASP 10 -6.896 -6.578 -17.429 95 HB3 ASP 10 2HB ASP 10 -8.136 -6.910 -16.223 96 H LYS 11 HN LYS 11 -10.625 -6.435 -16.351 97 HA LYS 11 HA LYS 11 -11.972 -8.895 -16.827 98 HB2 LYS 11 1HB LYS 11 -12.151 -6.676 -14.926 99 HB3 LYS 11 2HB LYS 11 -13.715 -7.379 -15.320 100 HG2 LYS 11 1HG LYS 11 -13.254 -8.847 -13.710 101 HG3 LYS 11 2HG LYS 11 -12.184 -9.600 -14.895 102 HD2 LYS 11 1HD LYS 11 -11.191 -7.356 -13.182 103 HD3 LYS 11 2HD LYS 11 -11.269 -8.997 -12.536 104 HE2 LYS 11 1HE LYS 11 -9.885 -9.782 -14.406 105 HE3 LYS 11 2HE LYS 11 -9.792 -8.132 -15.022 106 HZ1 LYS 11 3HZ LYS 11 -8.873 -7.635 -12.669 107 HZ2 LYS 11 1HZ LYS 11 -7.853 -8.319 -13.833 108 HZ3 LYS 11 2HZ LYS 11 -8.535 -9.292 -12.629 109 H LEU 12 HN LEU 12 -13.068 -5.516 -17.185 110 HA LEU 12 HA LEU 12 -15.513 -5.968 -18.352 111 HB2 LEU 12 1HB LEU 12 -14.799 -3.764 -17.692 112 HB3 LEU 12 2HB LEU 12 -13.531 -3.770 -18.916 113 HG LEU 12 HG LEU 12 -15.924 -4.158 -20.317 114 HD11 LEU 12 1HD1 LEU 12 -16.665 -3.085 -17.918 115 HD12 LEU 12 2HD1 LEU 12 -17.549 -2.905 -19.432 116 HD13 LEU 12 3HD1 LEU 12 -16.429 -1.647 -18.911 117 HD21 LEU 12 3HD2 LEU 12 -15.429 -1.805 -21.085 118 HD22 LEU 12 1HD2 LEU 12 -14.107 -2.961 -21.245 119 HD23 LEU 12 2HD2 LEU 12 -14.103 -1.795 -19.921 120 H ALA 13 HN ALA 13 -12.346 -5.838 -19.924 121 HA ALA 13 HA ALA 13 -13.337 -6.133 -22.572 122 HB1 ALA 13 1HB ALA 13 -11.001 -6.614 -23.166 123 HB2 ALA 13 2HB ALA 13 -11.150 -5.174 -22.157 124 HB3 ALA 13 3HB ALA 13 -10.594 -6.693 -21.452 125 H TYR 14 HN TYR 14 -12.147 -8.402 -20.137 126 HA TYR 14 HA TYR 14 -12.289 -10.682 -21.857 127 HB2 TYR 14 1HB TYR 14 -10.775 -10.585 -19.908 128 HB3 TYR 14 2HB TYR 14 -12.170 -10.555 -18.836 129 HD1 TYR 14 1HD TYR 14 -10.545 -12.631 -21.467 130 HD2 TYR 14 2HD TYR 14 -13.076 -12.553 -18.048 131 HE1 TYR 14 1HE TYR 14 -10.558 -15.090 -21.429 132 HE2 TYR 14 2HE TYR 14 -13.095 -15.012 -17.999 133 HH TYR 14 HH TYR 14 -11.943 -16.879 -18.782 134 H PHE 15 HN PHE 15 -14.599 -8.861 -20.198 135 HA PHE 15 HA PHE 15 -16.489 -11.096 -20.040 136 HB2 PHE 15 1HB PHE 15 -16.678 -8.279 -18.955 137 HB3 PHE 15 2HB PHE 15 -17.914 -9.518 -18.761 138 HD1 PHE 15 2HD PHE 15 -15.955 -11.831 -18.324 139 HD2 PHE 15 1HD PHE 15 -16.234 -7.926 -16.653 140 HE1 PHE 15 2HE PHE 15 -14.834 -12.628 -16.284 141 HE2 PHE 15 1HE PHE 15 -15.113 -8.716 -14.610 142 HZ PHE 15 HZ PHE 15 -14.413 -11.070 -14.423 143 H ARG 16 HN ARG 16 -18.312 -11.203 -21.262 144 HA ARG 16 HA ARG 16 -18.392 -9.964 -23.753 145 HB2 ARG 16 1HB ARG 16 -20.826 -11.019 -22.320 146 HB3 ARG 16 2HB ARG 16 -20.526 -10.971 -24.052 147 HG2 ARG 16 1HG ARG 16 -18.463 -12.498 -23.298 148 HG3 ARG 16 2HG ARG 16 -19.610 -12.901 -22.019 149 HD2 ARG 16 1HD ARG 16 -20.631 -14.291 -23.416 150 HD3 ARG 16 2HD ARG 16 -21.058 -12.914 -24.432 151 HE ARG 16 HE ARG 16 -18.407 -13.767 -24.958 152 HH11 ARG 16 1HH1 ARG 16 -21.736 -14.624 -25.510 153 HH12 ARG 16 2HH1 ARG 16 -21.409 -15.474 -26.984 154 HH21 ARG 16 1HH2 ARG 16 -17.963 -14.883 -26.898 155 HH22 ARG 16 2HH2 ARG 16 -19.262 -15.621 -27.772 156 H ILE 17 HN ILE 17 -20.671 -8.859 -24.394 157 HA ILE 17 HA ILE 17 -20.520 -6.219 -23.604 158 HB ILE 17 HB ILE 17 -23.067 -7.554 -24.515 159 HG12 ILE 17 1HG1 ILE 17 -20.547 -6.910 -25.970 160 HG13 ILE 17 2HG1 ILE 17 -21.673 -8.241 -26.211 161 HG21 ILE 17 1HG2 ILE 17 -22.080 -4.758 -25.035 162 HG22 ILE 17 2HG2 ILE 17 -23.682 -5.417 -25.360 163 HG23 ILE 17 3HG2 ILE 17 -23.147 -5.182 -23.697 164 HD11 ILE 17 3HD1 ILE 17 -21.800 -5.446 -27.241 165 HD12 ILE 17 1HD1 ILE 17 -21.972 -6.972 -28.107 166 HD13 ILE 17 2HD1 ILE 17 -23.274 -6.397 -27.065 167 H LYS 18 HN LYS 18 -22.064 -8.877 -22.022 168 HA LYS 18 HA LYS 18 -24.032 -7.752 -20.501 169 HB2 LYS 18 1HB LYS 18 -23.576 -10.107 -20.359 170 HB3 LYS 18 2HB LYS 18 -21.972 -9.810 -19.700 171 HG2 LYS 18 1HG LYS 18 -23.545 -10.555 -17.986 172 HG3 LYS 18 2HG LYS 18 -22.942 -8.928 -17.661 173 HD2 LYS 18 1HD LYS 18 -25.325 -9.025 -17.237 174 HD3 LYS 18 2HD LYS 18 -25.006 -7.996 -18.635 175 HE2 LYS 18 1HE LYS 18 -25.602 -9.819 -20.132 176 HE3 LYS 18 2HE LYS 18 -25.864 -10.886 -18.753 177 HZ1 LYS 18 3HZ LYS 18 -27.359 -8.378 -18.814 178 HZ2 LYS 18 1HZ LYS 18 -27.825 -9.901 -18.243 179 HZ3 LYS 18 2HZ LYS 18 -27.829 -9.584 -19.904 180 H GLU 19 HN GLU 19 -20.563 -7.810 -19.701 181 HA GLU 19 HA GLU 19 -20.697 -6.445 -17.282 182 HB2 GLU 19 1HB GLU 19 -18.677 -7.586 -18.125 183 HB3 GLU 19 2HB GLU 19 -18.484 -6.329 -19.338 184 HG2 GLU 19 1HG GLU 19 -17.085 -6.216 -17.182 185 HG3 GLU 19 2HG GLU 19 -17.839 -4.744 -17.791 186 H LEU 20 HN LEU 20 -20.045 -5.105 -20.520 187 HA LEU 20 HA LEU 20 -19.941 -2.418 -19.761 188 HB2 LEU 20 1HB LEU 20 -20.971 -3.430 -22.400 189 HB3 LEU 20 2HB LEU 20 -20.189 -1.886 -22.068 190 HG LEU 20 HG LEU 20 -18.619 -4.355 -21.559 191 HD11 LEU 20 1HD1 LEU 20 -19.949 -4.151 -23.957 192 HD12 LEU 20 2HD1 LEU 20 -18.473 -5.070 -23.665 193 HD13 LEU 20 3HD1 LEU 20 -18.378 -3.430 -24.307 194 HD21 LEU 20 3HD2 LEU 20 -17.975 -1.831 -21.281 195 HD22 LEU 20 1HD2 LEU 20 -17.694 -1.926 -23.020 196 HD23 LEU 20 2HD2 LEU 20 -16.810 -2.989 -21.924 197 H LYS 21 HN LYS 21 -22.662 -4.495 -20.529 198 HA LYS 21 HA LYS 21 -24.648 -2.546 -20.829 199 HB2 LYS 21 1HB LYS 21 -24.590 -5.258 -20.982 200 HB3 LYS 21 2HB LYS 21 -25.448 -5.038 -19.462 201 HG2 LYS 21 1HG LYS 21 -26.388 -3.356 -21.679 202 HG3 LYS 21 2HG LYS 21 -26.628 -5.092 -21.888 203 HD2 LYS 21 1HD LYS 21 -28.367 -5.032 -20.505 204 HD3 LYS 21 2HD LYS 21 -27.340 -4.394 -19.219 205 HE2 LYS 21 1HE LYS 21 -29.090 -2.829 -19.510 206 HE3 LYS 21 2HE LYS 21 -27.662 -2.117 -20.259 207 HZ1 LYS 21 3HZ LYS 21 -28.571 -2.224 -22.296 208 HZ2 LYS 21 1HZ LYS 21 -30.036 -2.270 -21.452 209 HZ3 LYS 21 2HZ LYS 21 -29.339 -3.705 -22.014 210 H ASP 22 HN ASP 22 -23.591 -4.304 -17.924 211 HA ASP 22 HA ASP 22 -25.393 -3.067 -16.145 212 HB2 ASP 22 1HB ASP 22 -23.174 -4.905 -15.982 213 HB3 ASP 22 2HB ASP 22 -23.077 -3.717 -14.685 214 H ILE 23 HN ILE 23 -22.099 -2.250 -17.132 215 HA ILE 23 HA ILE 23 -21.725 -0.122 -15.314 216 HB ILE 23 HB ILE 23 -20.448 -0.562 -18.015 217 HG12 ILE 23 1HG1 ILE 23 -20.012 -2.422 -16.532 218 HG13 ILE 23 2HG1 ILE 23 -18.555 -1.443 -16.653 219 HG21 ILE 23 1HG2 ILE 23 -20.004 1.447 -15.867 220 HG22 ILE 23 2HG2 ILE 23 -18.608 0.833 -16.751 221 HG23 ILE 23 3HG2 ILE 23 -19.920 1.629 -17.619 222 HD11 ILE 23 3HD1 ILE 23 -18.842 -2.094 -14.382 223 HD12 ILE 23 1HD1 ILE 23 -19.184 -0.368 -14.502 224 HD13 ILE 23 2HD1 ILE 23 -20.511 -1.524 -14.373 225 H LEU 24 HN LEU 24 -22.490 -0.036 -18.800 226 HA LEU 24 HA LEU 24 -22.946 2.722 -18.947 227 HB2 LEU 24 1HB LEU 24 -23.061 2.194 -21.092 228 HB3 LEU 24 2HB LEU 24 -23.114 0.484 -20.670 229 HG LEU 24 HG LEU 24 -25.618 2.131 -20.697 230 HD11 LEU 24 1HD1 LEU 24 -24.402 2.406 -22.870 231 HD12 LEU 24 2HD1 LEU 24 -25.985 1.638 -22.995 232 HD13 LEU 24 3HD1 LEU 24 -24.521 0.659 -23.083 233 HD21 LEU 24 3HD2 LEU 24 -24.880 -0.668 -20.397 234 HD22 LEU 24 1HD2 LEU 24 -26.122 -0.411 -21.623 235 HD23 LEU 24 2HD2 LEU 24 -26.378 0.161 -19.975 236 H ASN 25 HN ASN 25 -24.953 0.122 -17.828 237 HA ASN 25 HA ASN 25 -27.450 1.469 -18.019 238 HB2 ASN 25 1HB ASN 25 -27.839 -0.769 -17.778 239 HB3 ASN 25 2HB ASN 25 -26.439 -1.010 -16.739 240 HD21 ASN 25 1HD2 ASN 25 -26.639 -0.757 -14.539 241 HD22 ASN 25 2HD2 ASN 25 -28.170 -0.617 -13.750 242 H GLN 26 HN GLN 26 -25.115 1.023 -15.385 243 HA GLN 26 HA GLN 26 -26.646 2.518 -13.493 244 HB2 GLN 26 1HB GLN 26 -23.840 1.450 -13.548 245 HB3 GLN 26 2HB GLN 26 -24.369 2.519 -12.256 246 HG2 GLN 26 1HG GLN 26 -25.934 0.979 -11.462 247 HG3 GLN 26 2HG GLN 26 -25.888 0.033 -12.949 248 HE21 GLN 26 1HE2 GLN 26 -23.314 -0.431 -13.396 249 HE22 GLN 26 2HE2 GLN 26 -22.593 -1.306 -12.092 250 H LEU 27 HN LEU 27 -24.267 3.289 -15.898 251 HA LEU 27 HA LEU 27 -23.486 5.817 -14.866 252 HB2 LEU 27 1HB LEU 27 -21.986 4.986 -16.399 253 HB3 LEU 27 2HB LEU 27 -23.251 4.418 -17.487 254 HG LEU 27 HG LEU 27 -23.685 6.792 -18.113 255 HD11 LEU 27 1HD1 LEU 27 -22.594 8.535 -17.215 256 HD12 LEU 27 2HD1 LEU 27 -21.066 7.660 -17.114 257 HD13 LEU 27 3HD1 LEU 27 -22.298 7.429 -15.873 258 HD21 LEU 27 3HD2 LEU 27 -21.593 7.031 -19.456 259 HD22 LEU 27 1HD2 LEU 27 -22.363 5.449 -19.580 260 HD23 LEU 27 2HD2 LEU 27 -20.932 5.656 -18.570 261 H GLY 28 HN GLY 28 -26.374 4.743 -16.208 262 HA2 GLY 28 2HA GLY 28 -28.261 6.268 -16.131 263 HA3 GLY 28 3HA GLY 28 -27.191 7.532 -16.720 264 H LEU 29 HN LEU 29 -26.867 4.428 -18.156 265 HA LEU 29 HA LEU 29 -26.971 3.928 -20.411 266 HB2 LEU 29 1HB LEU 29 -29.367 3.718 -21.126 267 HB3 LEU 29 2HB LEU 29 -28.947 2.908 -19.618 268 HG LEU 29 HG LEU 29 -30.142 5.642 -19.520 269 HD11 LEU 29 1HD1 LEU 29 -32.232 5.014 -20.059 270 HD12 LEU 29 2HD1 LEU 29 -32.031 3.391 -19.399 271 HD13 LEU 29 3HD1 LEU 29 -31.407 3.773 -21.003 272 HD21 LEU 29 3HD2 LEU 29 -31.104 3.689 -17.642 273 HD22 LEU 29 1HD2 LEU 29 -30.242 5.199 -17.347 274 HD23 LEU 29 2HD2 LEU 29 -29.340 3.715 -17.656 275 HA PRO 30 HA PRO 30 -26.888 8.164 -22.119 276 HB2 PRO 30 1HB PRO 30 -24.853 7.646 -23.840 277 HB3 PRO 30 2HB PRO 30 -24.592 8.067 -22.143 278 HG2 PRO 30 1HG PRO 30 -24.590 5.373 -23.449 279 HG3 PRO 30 2HG PRO 30 -23.479 6.027 -22.230 280 HD2 PRO 30 1HD PRO 30 -25.503 4.341 -21.602 281 HD3 PRO 30 2HD PRO 30 -24.938 5.609 -20.495 282 H LYS 31 HN LYS 31 -26.888 8.852 -24.486 283 HA LYS 31 HA LYS 31 -29.067 7.878 -25.822 284 HB2 LYS 31 1HB LYS 31 -27.870 8.842 -27.922 285 HB3 LYS 31 2HB LYS 31 -28.310 9.925 -26.608 286 HG2 LYS 31 1HG LYS 31 -26.064 9.972 -25.799 287 HG3 LYS 31 2HG LYS 31 -25.579 8.702 -26.925 288 HD2 LYS 31 1HD LYS 31 -26.241 10.271 -28.790 289 HD3 LYS 31 2HD LYS 31 -26.392 11.532 -27.563 290 HE2 LYS 31 1HE LYS 31 -23.970 10.726 -26.920 291 HE3 LYS 31 2HE LYS 31 -23.959 10.148 -28.585 292 HZ1 LYS 31 3HZ LYS 31 -23.110 12.288 -28.723 293 HZ2 LYS 31 1HZ LYS 31 -24.207 12.919 -27.601 294 HZ3 LYS 31 2HZ LYS 31 -24.732 12.500 -29.153 295 H GLN 32 HN GLN 32 -25.789 6.670 -25.902 296 HA GLN 32 HA GLN 32 -26.547 4.137 -26.851 297 HB2 GLN 32 1HB GLN 32 -25.898 4.105 -29.087 298 HB3 GLN 32 2HB GLN 32 -26.742 5.641 -28.947 299 HG2 GLN 32 1HG GLN 32 -23.758 5.247 -28.901 300 HG3 GLN 32 2HG GLN 32 -24.708 5.870 -30.248 301 HE21 GLN 32 1HE2 GLN 32 -23.186 6.581 -27.268 302 HE22 GLN 32 2HE2 GLN 32 -23.557 8.268 -27.221 303 H GLY 33 HN GLY 33 -24.361 3.056 -27.878 304 HA2 GLY 33 2HA GLY 33 -21.831 3.753 -27.303 305 HA3 GLY 33 3HA GLY 33 -22.447 3.320 -25.714 306 H LYS 34 HN LYS 34 -21.431 2.158 -28.813 307 HA LYS 34 HA LYS 34 -22.253 -0.540 -28.513 308 HB2 LYS 34 1HB LYS 34 -20.764 -1.013 -30.370 309 HB3 LYS 34 2HB LYS 34 -21.657 0.468 -30.689 310 HG2 LYS 34 1HG LYS 34 -19.688 1.770 -29.968 311 HG3 LYS 34 2HG LYS 34 -18.799 0.258 -29.763 312 HD2 LYS 34 1HD LYS 34 -18.193 0.464 -31.900 313 HD3 LYS 34 2HD LYS 34 -19.864 0.077 -32.317 314 HE2 LYS 34 1HE LYS 34 -20.440 2.411 -32.386 315 HE3 LYS 34 2HE LYS 34 -18.847 2.865 -31.782 316 HZ1 LYS 34 3HZ LYS 34 -19.303 1.462 -34.357 317 HZ2 LYS 34 1HZ LYS 34 -17.846 2.114 -33.794 318 HZ3 LYS 34 2HZ LYS 34 -19.125 3.138 -34.213 319 H LYS 35 HN LYS 35 -20.363 -2.277 -28.696 320 HA LYS 35 HA LYS 35 -19.311 -2.672 -26.198 321 HB2 LYS 35 1HB LYS 35 -18.843 -3.785 -28.867 322 HB3 LYS 35 2HB LYS 35 -17.449 -3.916 -27.803 323 HG2 LYS 35 1HG LYS 35 -19.643 -4.697 -26.258 324 HG3 LYS 35 2HG LYS 35 -19.872 -5.454 -27.836 325 HD2 LYS 35 1HD LYS 35 -18.595 -6.917 -26.377 326 HD3 LYS 35 2HD LYS 35 -17.588 -6.358 -27.715 327 HE2 LYS 35 1HE LYS 35 -17.292 -4.474 -25.647 328 HE3 LYS 35 2HE LYS 35 -17.188 -6.062 -24.890 329 HZ1 LYS 35 3HZ LYS 35 -15.037 -5.780 -25.517 330 HZ2 LYS 35 1HZ LYS 35 -15.416 -4.820 -26.858 331 HZ3 LYS 35 2HZ LYS 35 -15.618 -6.497 -26.935 332 H GLN 36 HN GLN 36 -17.706 -1.141 -28.970 333 HA GLN 36 HA GLN 36 -15.260 -0.663 -27.602 334 HB2 GLN 36 1HB GLN 36 -15.080 -0.695 -29.937 335 HB3 GLN 36 2HB GLN 36 -16.472 0.357 -30.152 336 HG2 GLN 36 1HG GLN 36 -14.180 1.345 -30.608 337 HG3 GLN 36 2HG GLN 36 -15.268 2.269 -29.573 338 HE21 GLN 36 1HE2 GLN 36 -13.432 -0.586 -28.671 339 HE22 GLN 36 2HE2 GLN 36 -12.422 0.201 -27.511 340 H ASP 37 HN ASP 37 -18.008 1.436 -28.438 341 HA ASP 37 HA ASP 37 -17.102 3.815 -27.370 342 HB2 ASP 37 1HB ASP 37 -19.623 2.732 -28.223 343 HB3 ASP 37 2HB ASP 37 -19.856 3.671 -26.751 344 H LEU 38 HN LEU 38 -18.912 1.240 -25.717 345 HA LEU 38 HA LEU 38 -19.049 2.480 -23.205 346 HB2 LEU 38 1HB LEU 38 -18.881 -0.484 -23.707 347 HB3 LEU 38 2HB LEU 38 -19.617 0.330 -22.327 348 HG LEU 38 HG LEU 38 -20.760 0.972 -24.975 349 HD11 LEU 38 1HD1 LEU 38 -21.863 -1.498 -23.879 350 HD12 LEU 38 2HD1 LEU 38 -20.230 -1.672 -24.522 351 HD13 LEU 38 3HD1 LEU 38 -21.520 -1.048 -25.549 352 HD21 LEU 38 3HD2 LEU 38 -22.385 1.712 -23.659 353 HD22 LEU 38 1HD2 LEU 38 -21.448 1.213 -22.251 354 HD23 LEU 38 2HD2 LEU 38 -22.607 0.100 -22.977 355 H ILE 39 HN ILE 39 -16.752 0.038 -24.414 356 HA ILE 39 HA ILE 39 -15.149 -0.230 -22.195 357 HB ILE 39 HB ILE 39 -14.667 -0.504 -25.113 358 HG12 ILE 39 1HG1 ILE 39 -13.659 -2.532 -23.262 359 HG13 ILE 39 2HG1 ILE 39 -15.371 -2.189 -23.037 360 HG21 ILE 39 1HG2 ILE 39 -12.495 -0.206 -23.067 361 HG22 ILE 39 2HG2 ILE 39 -12.265 -1.177 -24.520 362 HG23 ILE 39 3HG2 ILE 39 -12.630 0.542 -24.658 363 HD11 ILE 39 3HD1 ILE 39 -15.784 -3.571 -24.710 364 HD12 ILE 39 1HD1 ILE 39 -15.020 -2.408 -25.793 365 HD13 ILE 39 2HD1 ILE 39 -14.067 -3.713 -25.086 366 H ASP 40 HN ASP 40 -14.783 2.143 -24.823 367 HA ASP 40 HA ASP 40 -12.535 3.448 -23.736 368 HB2 ASP 40 1HB ASP 40 -13.947 3.623 -26.086 369 HB3 ASP 40 2HB ASP 40 -14.341 5.150 -25.303 370 H ARG 41 HN ARG 41 -15.976 3.829 -23.216 371 HA ARG 41 HA ARG 41 -15.829 6.322 -21.856 372 HB2 ARG 41 1HB ARG 41 -17.875 4.312 -22.448 373 HB3 ARG 41 2HB ARG 41 -18.102 5.103 -20.894 374 HG2 ARG 41 1HG ARG 41 -19.313 6.200 -22.742 375 HG3 ARG 41 2HG ARG 41 -18.157 7.264 -21.938 376 HD2 ARG 41 1HD ARG 41 -16.878 5.880 -24.101 377 HD3 ARG 41 2HD ARG 41 -18.343 6.673 -24.679 378 HE ARG 41 HE ARG 41 -17.033 8.549 -23.152 379 HH11 ARG 41 1HH1 ARG 41 -16.324 6.660 -25.989 380 HH12 ARG 41 2HH1 ARG 41 -15.264 7.847 -26.674 381 HH21 ARG 41 1HH2 ARG 41 -15.640 10.120 -24.044 382 HH22 ARG 41 2HH2 ARG 41 -14.875 9.814 -25.566 383 H VAL 42 HN VAL 42 -15.932 2.949 -20.772 384 HA VAL 42 HA VAL 42 -16.046 3.430 -18.016 385 HB VAL 42 HB VAL 42 -14.849 1.115 -19.539 386 HG11 VAL 42 1HG1 VAL 42 -15.094 -0.093 -17.331 387 HG12 VAL 42 2HG1 VAL 42 -13.775 1.075 -17.431 388 HG13 VAL 42 3HG1 VAL 42 -15.264 1.495 -16.583 389 HG21 VAL 42 3HG2 VAL 42 -16.965 0.505 -19.825 390 HG22 VAL 42 1HG2 VAL 42 -17.150 0.403 -18.074 391 HG23 VAL 42 2HG2 VAL 42 -17.523 1.908 -18.914 392 H LEU 43 HN LEU 43 -13.182 2.596 -19.978 393 HA LEU 43 HA LEU 43 -11.283 2.987 -17.975 394 HB2 LEU 43 1HB LEU 43 -10.817 3.542 -20.893 395 HB3 LEU 43 2HB LEU 43 -9.646 3.000 -19.693 396 HG LEU 43 HG LEU 43 -11.801 1.420 -21.060 397 HD11 LEU 43 1HD1 LEU 43 -9.951 -0.060 -21.594 398 HD12 LEU 43 2HD1 LEU 43 -8.847 0.959 -20.672 399 HD13 LEU 43 3HD1 LEU 43 -9.606 1.583 -22.136 400 HD21 LEU 43 3HD2 LEU 43 -10.399 0.826 -18.470 401 HD22 LEU 43 1HD2 LEU 43 -11.039 -0.450 -19.506 402 HD23 LEU 43 2HD2 LEU 43 -12.125 0.763 -18.830 403 H ALA 44 HN ALA 44 -12.705 5.266 -20.260 404 HA ALA 44 HA ALA 44 -11.002 7.447 -19.632 405 HB1 ALA 44 1HB ALA 44 -12.683 8.822 -20.779 406 HB2 ALA 44 2HB ALA 44 -12.259 7.383 -21.708 407 HB3 ALA 44 3HB ALA 44 -13.778 7.439 -20.813 408 H LEU 45 HN LEU 45 -13.808 6.097 -18.118 409 HA LEU 45 HA LEU 45 -14.447 8.437 -16.571 410 HB2 LEU 45 1HB LEU 45 -16.360 7.333 -16.415 411 HB3 LEU 45 2HB LEU 45 -15.621 5.889 -17.105 412 HG LEU 45 HG LEU 45 -14.819 5.377 -14.734 413 HD11 LEU 45 1HD1 LEU 45 -17.085 6.860 -13.633 414 HD12 LEU 45 2HD1 LEU 45 -15.758 7.880 -14.188 415 HD13 LEU 45 3HD1 LEU 45 -15.460 6.621 -12.990 416 HD21 LEU 45 3HD2 LEU 45 -16.696 4.258 -15.971 417 HD22 LEU 45 1HD2 LEU 45 -17.801 5.362 -15.151 418 HD23 LEU 45 2HD2 LEU 45 -16.833 4.226 -14.213 419 H LEU 46 HN LEU 46 -12.846 5.333 -15.954 420 HA LEU 46 HA LEU 46 -12.257 6.015 -13.218 421 HB2 LEU 46 1HB LEU 46 -10.937 3.802 -14.741 422 HB3 LEU 46 2HB LEU 46 -11.320 3.891 -13.023 423 HG LEU 46 HG LEU 46 -13.399 3.625 -15.189 424 HD11 LEU 46 1HD1 LEU 46 -12.729 1.345 -13.430 425 HD12 LEU 46 2HD1 LEU 46 -11.596 1.711 -14.731 426 HD13 LEU 46 3HD1 LEU 46 -13.285 1.367 -15.104 427 HD21 LEU 46 3HD2 LEU 46 -13.620 4.358 -12.527 428 HD22 LEU 46 1HD2 LEU 46 -14.020 2.640 -12.535 429 HD23 LEU 46 2HD2 LEU 46 -14.916 3.759 -13.564 430 H THR 47 HN THR 47 -10.911 6.791 -16.191 431 HA THR 47 HA THR 47 -8.242 7.219 -15.027 432 HB THR 47 HB THR 47 -9.064 7.206 -17.938 433 HG1 THR 47 1HG THR 47 -8.624 5.142 -17.854 434 HG21 THR 47 3HG2 THR 47 -7.196 8.700 -17.594 435 HG22 THR 47 1HG2 THR 47 -6.617 7.220 -18.356 436 HG23 THR 47 2HG2 THR 47 -6.356 7.485 -16.632 437 H ASP 48 HN ASP 48 -10.297 8.825 -17.465 438 HA ASP 48 HA ASP 48 -9.150 11.388 -16.913 439 HB2 ASP 48 1HB ASP 48 -10.917 10.236 -18.886 440 HB3 ASP 48 2HB ASP 48 -11.560 11.770 -18.307 441 H GLU 49 HN GLU 49 -11.503 9.546 -15.385 442 HA GLU 49 HA GLU 49 -12.495 11.924 -13.969 443 HB2 GLU 49 1HB GLU 49 -14.030 10.029 -15.523 444 HB3 GLU 49 2HB GLU 49 -14.552 10.025 -13.844 445 HG2 GLU 49 1HG GLU 49 -15.479 12.056 -13.993 446 HG3 GLU 49 2HG GLU 49 -14.173 12.692 -14.990 447 H GLN 50 HN GLN 50 -10.411 9.859 -13.418 448 HA GLN 50 HA GLN 50 -11.207 7.993 -11.526 449 HB2 GLN 50 1HB GLN 50 -8.939 7.840 -10.881 450 HB3 GLN 50 2HB GLN 50 -8.914 8.275 -12.585 451 HG2 GLN 50 1HG GLN 50 -8.830 10.485 -10.617 452 HG3 GLN 50 2HG GLN 50 -7.393 9.477 -10.776 453 HE21 GLN 50 1HE2 GLN 50 -9.610 11.580 -12.492 454 HE22 GLN 50 2HE2 GLN 50 -8.527 11.992 -13.773 455 H GLY 51 HN GLY 51 -11.040 11.420 -11.285 456 HA2 GLY 51 2HA GLY 51 -11.526 12.873 -9.577 457 HA3 GLY 51 3HA GLY 51 -12.404 11.538 -8.847 458 H GLN 52 HN GLN 52 -8.941 12.057 -9.492 459 HA GLN 52 HA GLN 52 -8.450 11.931 -6.602 460 HB2 GLN 52 1HB GLN 52 -7.709 9.945 -8.565 461 HB3 GLN 52 2HB GLN 52 -6.278 10.625 -7.803 462 HG2 GLN 52 1HG GLN 52 -8.321 10.023 -5.855 463 HG3 GLN 52 2HG GLN 52 -7.902 8.606 -6.817 464 HE21 GLN 52 1HE2 GLN 52 -5.959 11.345 -5.693 465 HE22 GLN 52 2HE2 GLN 52 -4.802 10.395 -4.831 466 H ARG 53 HN ARG 53 -8.491 14.159 -8.458 467 HA ARG 53 HA ARG 53 -5.733 15.077 -8.059 468 HB2 ARG 53 1HB ARG 53 -7.330 15.609 -10.569 469 HB3 ARG 53 2HB ARG 53 -5.687 16.142 -10.236 470 HG2 ARG 53 1HG ARG 53 -5.058 13.702 -10.088 471 HG3 ARG 53 2HG ARG 53 -6.658 13.346 -10.741 472 HD2 ARG 53 1HD ARG 53 -5.218 13.375 -12.600 473 HD3 ARG 53 2HD ARG 53 -6.068 14.919 -12.643 474 HE ARG 53 HE ARG 53 -3.569 15.062 -11.253 475 HH11 ARG 53 1HH1 ARG 53 -5.074 15.127 -14.391 476 HH12 ARG 53 2HH1 ARG 53 -3.799 16.040 -15.128 477 HH21 ARG 53 1HH2 ARG 53 -1.884 16.264 -12.211 478 HH22 ARG 53 2HH2 ARG 53 -1.985 16.685 -13.887 479 H HIS 54 HN HIS 54 -9.116 15.895 -8.624 480 HA HIS 54 HA HIS 54 -9.155 17.931 -6.691 481 HB2 HIS 54 1HB HIS 54 -7.787 19.018 -8.567 482 HB3 HIS 54 2HB HIS 54 -9.290 19.056 -9.484 483 HD1 HIS 54 1HD HIS 54 -10.924 20.899 -8.952 484 HD2 HIS 54 2HD HIS 54 -7.808 20.668 -6.213 485 HE1 HIS 54 1HE HIS 54 -11.136 22.954 -7.516 486 H HIS 55 HN HIS 55 -10.533 16.614 -9.641 487 HA HIS 55 HA HIS 55 -13.217 17.403 -8.751 488 HB2 HIS 55 1HB HIS 55 -13.921 16.738 -11.052 489 HB3 HIS 55 2HB HIS 55 -12.740 18.044 -11.027 490 HD1 HIS 55 1HD HIS 55 -10.270 17.394 -11.732 491 HD2 HIS 55 2HD HIS 55 -13.147 14.475 -12.411 492 HE1 HIS 55 1HE HIS 55 -9.205 15.754 -13.313 493 H GLY 56 HN GLY 56 -12.542 15.588 -7.078 494 HA2 GLY 56 2HA GLY 56 -13.543 13.018 -8.142 495 HA3 GLY 56 3HA GLY 56 -12.365 13.137 -6.844 496 H TRP 57 HN TRP 57 -15.565 14.555 -7.538 497 HA TRP 57 HA TRP 57 -16.345 13.845 -4.787 498 HB2 TRP 57 1HB TRP 57 -18.102 15.789 -5.980 499 HB3 TRP 57 2HB TRP 57 -17.120 15.925 -4.524 500 HD1 TRP 57 HD TRP 57 -14.547 16.842 -4.902 501 HE1 TRP 57 1HE TRP 57 -13.643 18.507 -6.644 502 HE3 TRP 57 3HE TRP 57 -18.366 16.622 -8.294 503 HZ2 TRP 57 2HZ TRP 57 -14.442 19.584 -9.128 504 HZ3 TRP 57 3HZ TRP 57 -18.219 18.002 -10.326 505 HH2 TRP 57 HH TRP 57 -16.298 19.452 -10.732 506 H GLY 58 HN GLY 58 -16.922 13.262 -8.076 507 HA2 GLY 58 2HA GLY 58 -19.704 12.533 -7.811 508 HA3 GLY 58 3HA GLY 58 -18.692 12.299 -9.229 509 H ARG 59 HN ARG 59 -18.267 11.154 -5.893 510 HA ARG 59 HA ARG 59 -17.947 8.441 -6.948 511 HB2 ARG 59 1HB ARG 59 -16.395 9.799 -5.203 512 HB3 ARG 59 2HB ARG 59 -17.470 8.980 -4.077 513 HG2 ARG 59 1HG ARG 59 -16.780 6.960 -5.780 514 HG3 ARG 59 2HG ARG 59 -15.301 7.920 -5.713 515 HD2 ARG 59 1HD ARG 59 -16.790 6.619 -3.450 516 HD3 ARG 59 2HD ARG 59 -15.128 6.341 -3.968 517 HE ARG 59 HE ARG 59 -16.091 8.462 -2.266 518 HH11 ARG 59 1HH1 ARG 59 -13.535 7.373 -4.365 519 HH12 ARG 59 2HH1 ARG 59 -12.337 8.404 -3.656 520 HH21 ARG 59 1HH2 ARG 59 -14.522 9.824 -1.325 521 HH22 ARG 59 2HH2 ARG 59 -12.899 9.797 -1.927 522 H LYS 60 HN LYS 60 -20.443 10.203 -5.991 523 HA LYS 60 HA LYS 60 -21.784 7.913 -4.716 524 HB2 LYS 60 1HB LYS 60 -21.267 9.839 -3.137 525 HB3 LYS 60 2HB LYS 60 -22.412 10.793 -4.071 526 HG2 LYS 60 1HG LYS 60 -23.682 8.355 -3.405 527 HG3 LYS 60 2HG LYS 60 -22.917 8.982 -1.943 528 HD2 LYS 60 1HD LYS 60 -24.333 10.727 -1.807 529 HD3 LYS 60 2HD LYS 60 -24.320 10.998 -3.551 530 HE2 LYS 60 1HE LYS 60 -25.810 9.006 -3.789 531 HE3 LYS 60 2HE LYS 60 -25.921 8.944 -2.031 532 HZ1 LYS 60 3HZ LYS 60 -27.652 10.301 -2.288 533 HZ2 LYS 60 1HZ LYS 60 -27.251 10.684 -3.886 534 HZ3 LYS 60 2HZ LYS 60 -26.527 11.523 -2.608 535 H ASN 61 HN ASN 61 -21.706 8.534 -7.495 536 HA ASN 61 HA ASN 61 -24.485 9.389 -7.971 537 HB2 ASN 61 1HB ASN 61 -23.449 9.597 -10.421 538 HB3 ASN 61 2HB ASN 61 -23.340 10.906 -9.248 539 HD21 ASN 61 1HD2 ASN 61 -21.548 7.867 -9.424 540 HD22 ASN 61 2HD2 ASN 61 -19.987 8.593 -9.575 541 H SER 62 HN SER 62 -23.154 6.681 -7.366 542 HA SER 62 HA SER 62 -23.330 4.504 -8.022 543 HB2 SER 62 1HB SER 62 -25.736 5.151 -7.710 544 HB3 SER 62 2HB SER 62 -25.823 5.464 -9.443 545 HG SER 62 HG SER 62 -26.481 3.398 -9.233 546 H LEU 63 HN LEU 63 -21.635 6.006 -9.646 547 HA LEU 63 HA LEU 63 -21.541 4.351 -11.972 548 HB2 LEU 63 1HB LEU 63 -21.558 6.290 -13.579 549 HB3 LEU 63 2HB LEU 63 -23.119 5.822 -12.908 550 HG LEU 63 HG LEU 63 -22.443 7.769 -11.179 551 HD11 LEU 63 1HD1 LEU 63 -21.588 9.650 -12.669 552 HD12 LEU 63 2HD1 LEU 63 -21.037 8.378 -13.760 553 HD13 LEU 63 3HD1 LEU 63 -20.409 8.461 -12.114 554 HD21 LEU 63 3HD2 LEU 63 -24.542 7.603 -12.390 555 HD22 LEU 63 1HD2 LEU 63 -23.750 8.138 -13.872 556 HD23 LEU 63 2HD2 LEU 63 -23.894 9.241 -12.502 557 H THR 64 HN THR 64 -19.865 5.024 -9.724 558 HA THR 64 HA THR 64 -17.603 6.330 -11.088 559 HB THR 64 HB THR 64 -17.271 5.956 -8.216 560 HG1 THR 64 1HG THR 64 -19.143 6.703 -7.599 561 HG21 THR 64 3HG2 THR 64 -17.310 8.487 -9.855 562 HG22 THR 64 1HG2 THR 64 -15.917 7.411 -9.757 563 HG23 THR 64 2HG2 THR 64 -16.511 8.219 -8.306 564 H LYS 65 HN LYS 65 -15.477 5.530 -9.727 565 HA LYS 65 HA LYS 65 -14.776 3.081 -10.731 566 HB2 LYS 65 1HB LYS 65 -12.963 3.055 -9.035 567 HB3 LYS 65 2HB LYS 65 -13.116 4.602 -9.856 568 HG2 LYS 65 1HG LYS 65 -14.715 4.998 -7.704 569 HG3 LYS 65 2HG LYS 65 -13.493 3.917 -7.032 570 HD2 LYS 65 1HD LYS 65 -11.969 5.678 -8.460 571 HD3 LYS 65 2HD LYS 65 -13.277 6.713 -7.882 572 HE2 LYS 65 1HE LYS 65 -12.021 6.879 -6.027 573 HE3 LYS 65 2HE LYS 65 -12.697 5.298 -5.640 574 HZ1 LYS 65 3HZ LYS 65 -10.552 4.758 -7.247 575 HZ2 LYS 65 1HZ LYS 65 -10.609 4.587 -5.565 576 HZ3 LYS 65 2HZ LYS 65 -10.004 6.010 -6.251 577 H GLU 66 HN GLU 66 -16.466 3.781 -7.744 578 HA GLU 66 HA GLU 66 -16.201 1.284 -6.494 579 HB2 GLU 66 1HB GLU 66 -17.732 3.692 -6.109 580 HB3 GLU 66 2HB GLU 66 -18.756 2.286 -5.850 581 HG2 GLU 66 1HG GLU 66 -16.946 1.416 -4.315 582 HG3 GLU 66 2HG GLU 66 -16.221 3.019 -4.421 583 H ALA 67 HN ALA 67 -18.747 2.522 -8.645 584 HA ALA 67 HA ALA 67 -20.309 0.173 -8.650 585 HB1 ALA 67 1HB ALA 67 -21.186 1.168 -10.850 586 HB2 ALA 67 2HB ALA 67 -21.415 2.094 -9.366 587 HB3 ALA 67 3HB ALA 67 -20.128 2.533 -10.489 588 H VAL 68 HN VAL 68 -17.895 1.383 -10.971 589 HA VAL 68 HA VAL 68 -18.029 -0.694 -12.814 590 HB VAL 68 HB VAL 68 -15.534 0.822 -12.040 591 HG11 VAL 68 1HG1 VAL 68 -16.264 -0.392 -14.697 592 HG12 VAL 68 2HG1 VAL 68 -14.714 0.296 -14.211 593 HG13 VAL 68 3HG1 VAL 68 -15.276 -1.213 -13.490 594 HG21 VAL 68 3HG2 VAL 68 -17.844 1.549 -13.815 595 HG22 VAL 68 1HG2 VAL 68 -17.107 2.490 -12.518 596 HG23 VAL 68 2HG2 VAL 68 -16.245 2.258 -14.039 597 H ALA 69 HN ALA 69 -16.025 -0.397 -9.901 598 HA ALA 69 HA ALA 69 -14.707 -2.899 -10.268 599 HB1 ALA 69 1HB ALA 69 -14.994 -1.220 -7.779 600 HB2 ALA 69 2HB ALA 69 -13.868 -2.561 -7.998 601 HB3 ALA 69 3HB ALA 69 -13.697 -1.098 -8.968 602 H LYS 70 HN LYS 70 -17.706 -1.911 -8.844 603 HA LYS 70 HA LYS 70 -18.123 -4.135 -7.145 604 HB2 LYS 70 1HB LYS 70 -19.425 -2.132 -6.836 605 HB3 LYS 70 2HB LYS 70 -20.063 -2.238 -8.472 606 HG2 LYS 70 1HG LYS 70 -21.635 -3.739 -7.903 607 HG3 LYS 70 2HG LYS 70 -20.572 -4.583 -6.775 608 HD2 LYS 70 1HD LYS 70 -21.459 -3.500 -5.043 609 HD3 LYS 70 2HD LYS 70 -21.167 -1.937 -5.809 610 HE2 LYS 70 1HE LYS 70 -23.532 -2.222 -5.354 611 HE3 LYS 70 2HE LYS 70 -23.244 -2.196 -7.093 612 HZ1 LYS 70 3HZ LYS 70 -23.745 -4.591 -5.412 613 HZ2 LYS 70 1HZ LYS 70 -23.311 -4.650 -7.046 614 HZ3 LYS 70 2HZ LYS 70 -24.775 -3.940 -6.585 615 H ILE 71 HN ILE 71 -19.220 -3.436 -10.455 616 HA ILE 71 HA ILE 71 -20.494 -5.972 -10.779 617 HB ILE 71 HB ILE 71 -19.594 -4.185 -13.027 618 HG12 ILE 71 1HG1 ILE 71 -20.743 -2.766 -11.417 619 HG13 ILE 71 2HG1 ILE 71 -21.777 -3.035 -12.816 620 HG21 ILE 71 1HG2 ILE 71 -20.834 -5.494 -14.333 621 HG22 ILE 71 2HG2 ILE 71 -20.919 -6.616 -12.975 622 HG23 ILE 71 3HG2 ILE 71 -22.201 -5.430 -13.220 623 HD11 ILE 71 3HD1 ILE 71 -22.426 -5.069 -11.027 624 HD12 ILE 71 1HD1 ILE 71 -22.255 -3.614 -10.045 625 HD13 ILE 71 2HD1 ILE 71 -23.374 -3.632 -11.409 626 H VAL 72 HN VAL 72 -17.353 -4.629 -11.656 627 HA VAL 72 HA VAL 72 -16.473 -6.770 -13.266 628 HB VAL 72 HB VAL 72 -14.959 -4.702 -11.680 629 HG11 VAL 72 1HG1 VAL 72 -13.979 -7.124 -13.020 630 HG12 VAL 72 2HG1 VAL 72 -13.144 -5.635 -13.467 631 HG13 VAL 72 3HG1 VAL 72 -13.224 -6.129 -11.775 632 HG21 VAL 72 3HG2 VAL 72 -14.824 -4.871 -14.625 633 HG22 VAL 72 1HG2 VAL 72 -16.376 -4.389 -13.939 634 HG23 VAL 72 2HG2 VAL 72 -14.922 -3.460 -13.571 635 H ASP 73 HN ASP 73 -16.227 -6.148 -9.797 636 HA ASP 73 HA ASP 73 -14.592 -8.422 -9.248 637 HB2 ASP 73 1HB ASP 73 -14.887 -6.302 -7.821 638 HB3 ASP 73 2HB ASP 73 -16.370 -7.054 -7.239 639 H ASP 74 HN ASP 74 -18.056 -7.738 -8.840 640 HA ASP 74 HA ASP 74 -18.753 -10.257 -7.796 641 HB2 ASP 74 1HB ASP 74 -20.243 -7.997 -9.052 642 HB3 ASP 74 2HB ASP 74 -21.068 -9.544 -8.884 643 H THR 75 HN THR 75 -18.668 -9.016 -11.107 644 HA THR 75 HA THR 75 -19.759 -11.349 -12.309 645 HB THR 75 HB THR 75 -18.051 -9.170 -13.527 646 HG1 THR 75 1HG THR 75 -20.275 -8.750 -12.580 647 HG21 THR 75 3HG2 THR 75 -17.958 -11.122 -14.932 648 HG22 THR 75 1HG2 THR 75 -19.050 -9.953 -15.672 649 HG23 THR 75 2HG2 THR 75 -19.703 -11.346 -14.810 650 H TYR 76 HN TYR 76 -16.467 -10.238 -11.673 651 HA TYR 76 HA TYR 76 -15.185 -12.351 -13.083 652 HB2 TYR 76 1HB TYR 76 -14.121 -10.155 -12.518 653 HB3 TYR 76 2HB TYR 76 -14.054 -10.673 -10.837 654 HD1 TYR 76 1HD TYR 76 -13.392 -12.715 -13.870 655 HD2 TYR 76 2HD TYR 76 -11.747 -10.810 -10.440 656 HE1 TYR 76 1HE TYR 76 -11.235 -13.815 -14.302 657 HE2 TYR 76 2HE TYR 76 -9.585 -11.904 -10.862 658 HH TYR 76 HH TYR 76 -8.514 -12.958 -13.368 659 H ARG 77 HN ARG 77 -16.017 -11.821 -9.682 660 HA ARG 77 HA ARG 77 -14.816 -14.225 -8.745 661 HB2 ARG 77 1HB ARG 77 -15.706 -13.689 -6.647 662 HB3 ARG 77 2HB ARG 77 -15.446 -12.123 -7.404 663 HG2 ARG 77 1HG ARG 77 -17.803 -11.978 -7.968 664 HG3 ARG 77 2HG ARG 77 -18.080 -13.577 -7.275 665 HD2 ARG 77 1HD ARG 77 -18.729 -12.159 -5.560 666 HD3 ARG 77 2HD ARG 77 -17.068 -12.559 -5.125 667 HE ARG 77 HE ARG 77 -16.755 -10.300 -6.541 668 HH11 ARG 77 1HH1 ARG 77 -18.887 -11.138 -3.920 669 HH12 ARG 77 2HH1 ARG 77 -18.961 -9.525 -3.291 670 HH21 ARG 77 1HH2 ARG 77 -16.844 -8.173 -5.724 671 HH22 ARG 77 2HH2 ARG 77 -17.799 -7.839 -4.319 672 H LYS 78 HN LYS 78 -17.944 -13.399 -10.045 673 HA LYS 78 HA LYS 78 -19.242 -15.812 -9.193 674 HB2 LYS 78 1HB LYS 78 -20.517 -13.759 -9.614 675 HB3 LYS 78 2HB LYS 78 -20.033 -13.795 -11.304 676 HG2 LYS 78 1HG LYS 78 -21.155 -16.275 -10.938 677 HG3 LYS 78 2HG LYS 78 -22.163 -15.227 -9.937 678 HD2 LYS 78 1HD LYS 78 -23.236 -15.010 -11.947 679 HD3 LYS 78 2HD LYS 78 -22.080 -13.683 -12.075 680 HE2 LYS 78 1HE LYS 78 -21.659 -14.658 -14.075 681 HE3 LYS 78 2HE LYS 78 -20.585 -15.652 -13.092 682 HZ1 LYS 78 3HZ LYS 78 -21.710 -17.336 -14.013 683 HZ2 LYS 78 1HZ LYS 78 -23.027 -16.371 -14.456 684 HZ3 LYS 78 2HZ LYS 78 -22.911 -16.971 -12.879 685 H MET 79 HN MET 79 -17.727 -14.666 -12.175 686 HA MET 79 HA MET 79 -18.369 -17.048 -13.644 687 HB2 MET 79 1HB MET 79 -17.915 -14.665 -14.555 688 HB3 MET 79 2HB MET 79 -16.216 -15.100 -14.418 689 HG2 MET 79 1HG MET 79 -17.384 -17.247 -15.735 690 HG3 MET 79 2HG MET 79 -18.151 -15.821 -16.430 691 HE1 MET 79 3HE MET 79 -16.858 -14.480 -18.517 692 HE2 MET 79 1HE MET 79 -16.762 -13.705 -16.935 693 HE3 MET 79 2HE MET 79 -15.325 -13.811 -17.953 694 H GLN 80 HN GLN 80 -15.461 -15.735 -12.096 695 HA GLN 80 HA GLN 80 -13.847 -18.000 -12.798 696 HB2 GLN 80 1HB GLN 80 -13.142 -15.535 -12.246 697 HB3 GLN 80 2HB GLN 80 -13.135 -16.114 -10.585 698 HG2 GLN 80 1HG GLN 80 -10.917 -16.224 -11.551 699 HG3 GLN 80 2HG GLN 80 -11.521 -17.838 -11.182 700 HE21 GLN 80 1HE2 GLN 80 -12.119 -15.674 -13.920 701 HE22 GLN 80 2HE2 GLN 80 -11.573 -16.775 -15.134 702 H ILE 81 HN ILE 81 -15.408 -16.846 -9.827 703 HA ILE 81 HA ILE 81 -16.005 -17.910 -7.907 704 HB ILE 81 HB ILE 81 -15.622 -20.550 -9.287 705 HG12 ILE 81 1HG1 ILE 81 -17.949 -18.642 -9.608 706 HG13 ILE 81 2HG1 ILE 81 -16.814 -19.116 -10.867 707 HG21 ILE 81 1HG2 ILE 81 -16.640 -19.742 -6.796 708 HG22 ILE 81 2HG2 ILE 81 -18.025 -20.252 -7.761 709 HG23 ILE 81 3HG2 ILE 81 -16.674 -21.356 -7.507 710 HD11 ILE 81 3HD1 ILE 81 -19.202 -20.444 -9.925 711 HD12 ILE 81 1HD1 ILE 81 -18.286 -20.680 -11.413 712 HD13 ILE 81 2HD1 ILE 81 -17.803 -21.518 -9.937 713 H GLN 82 HN GLN 82 -13.084 -17.630 -8.831 714 HA GLN 82 HA GLN 82 -11.654 -19.747 -7.574 715 HB2 GLN 82 1HB GLN 82 -10.997 -17.667 -9.261 716 HB3 GLN 82 2HB GLN 82 -10.248 -17.189 -7.744 717 HG2 GLN 82 1HG GLN 82 -8.721 -18.450 -9.174 718 HG3 GLN 82 2HG GLN 82 -9.029 -19.270 -7.645 719 HE21 GLN 82 1HE2 GLN 82 -9.926 -21.258 -7.650 720 HE22 GLN 82 2HE2 GLN 82 -10.350 -22.130 -9.080 721 H CYS 83 HN CYS 83 -9.778 -18.590 -5.980 722 HA CYS 83 HA CYS 83 -11.278 -18.175 -3.548 723 HB2 CYS 83 1HB CYS 83 -8.298 -18.298 -4.054 724 HB3 CYS 83 2HB CYS 83 -9.043 -18.205 -2.463 725 HG CYS 83 HG CYS 83 -8.090 -20.837 -3.129 726 H ALA 84 HN ALA 84 -12.058 -16.092 -4.790 727 HA ALA 84 HA ALA 84 -12.238 -13.824 -4.676 728 HB1 ALA 84 1HB ALA 84 -10.208 -12.985 -2.940 729 HB2 ALA 84 2HB ALA 84 -11.913 -13.234 -2.561 730 HB3 ALA 84 3HB ALA 84 -10.757 -14.544 -2.323 731 HA PRO 85 HA PRO 85 -9.240 -12.670 -7.721 732 HB2 PRO 85 1HB PRO 85 -10.157 -10.153 -8.165 733 HB3 PRO 85 2HB PRO 85 -10.972 -11.596 -8.782 734 HG2 PRO 85 1HG PRO 85 -11.607 -9.950 -6.363 735 HG3 PRO 85 2HG PRO 85 -12.709 -10.635 -7.571 736 HD2 PRO 85 1HD PRO 85 -12.306 -11.780 -5.151 737 HD3 PRO 85 2HD PRO 85 -12.665 -12.729 -6.608 738 H ASP 86 HN ASP 86 -9.444 -11.506 -4.594 739 HA ASP 86 HA ASP 86 -7.950 -10.446 -3.240 740 HB2 ASP 86 1HB ASP 86 -6.302 -11.734 -4.742 741 HB3 ASP 86 2HB ASP 86 -6.058 -10.198 -5.569 742 H LEU 87 HN LEU 87 -9.905 -8.890 -4.112 743 HA LEU 87 HA LEU 87 -8.940 -6.531 -5.449 744 HB2 LEU 87 1HB LEU 87 -11.284 -7.428 -5.595 745 HB3 LEU 87 2HB LEU 87 -11.522 -6.875 -3.938 746 HG LEU 87 HG LEU 87 -10.599 -4.625 -5.271 747 HD11 LEU 87 1HD1 LEU 87 -12.694 -5.943 -6.983 748 HD12 LEU 87 2HD1 LEU 87 -10.980 -5.896 -7.394 749 HD13 LEU 87 3HD1 LEU 87 -11.894 -4.395 -7.253 750 HD21 LEU 87 3HD2 LEU 87 -13.064 -3.974 -5.116 751 HD22 LEU 87 1HD2 LEU 87 -12.248 -4.431 -3.621 752 HD23 LEU 87 2HD2 LEU 87 -13.318 -5.578 -4.427 753 H ALA 88 HN ALA 88 -8.376 -7.660 -2.460 754 HA ALA 88 HA ALA 88 -7.530 -6.725 -0.563 755 HB1 ALA 88 1HB ALA 88 -6.485 -5.180 -2.344 756 HB2 ALA 88 2HB ALA 88 -7.685 -4.005 -1.804 757 HB3 ALA 88 3HB ALA 88 -6.502 -4.645 -0.664 758 H THR 89 HN THR 89 -10.522 -6.538 -1.501 759 HA THR 89 HA THR 89 -12.515 -5.822 -0.652 760 HB THR 89 HB THR 89 -11.170 -5.501 2.014 761 HG1 THR 89 1HG THR 89 -11.509 -7.850 0.491 762 HG21 THR 89 3HG2 THR 89 -13.838 -5.583 1.098 763 HG22 THR 89 1HG2 THR 89 -13.267 -5.529 2.765 764 HG23 THR 89 2HG2 THR 89 -13.556 -7.083 1.982 765 H ARG 90 HN ARG 90 -10.628 -3.769 -1.622 766 HA ARG 90 HA ARG 90 -10.413 -1.505 -1.715 767 HB2 ARG 90 1HB ARG 90 -13.184 -2.083 -1.129 768 HB3 ARG 90 2HB ARG 90 -12.711 -0.541 -0.429 769 HG2 ARG 90 1HG ARG 90 -12.113 0.344 -2.531 770 HG3 ARG 90 2HG ARG 90 -12.169 -1.245 -3.297 771 HD2 ARG 90 1HD ARG 90 -14.557 0.145 -2.092 772 HD3 ARG 90 2HD ARG 90 -14.129 0.217 -3.801 773 HE ARG 90 HE ARG 90 -14.251 -2.434 -3.330 774 HH11 ARG 90 1HH1 ARG 90 -16.437 0.192 -2.663 775 HH12 ARG 90 2HH1 ARG 90 -17.861 -0.787 -2.797 776 HH21 ARG 90 1HH2 ARG 90 -16.118 -3.733 -3.509 777 HH22 ARG 90 2HH2 ARG 90 -17.678 -3.019 -3.278 778 H SER 91 HN SER 91 -9.528 -2.969 0.727 779 HA SER 91 HA SER 91 -9.990 -1.489 3.051 780 HB2 SER 91 1HB SER 91 -8.759 -3.763 2.703 781 HB3 SER 91 2HB SER 91 -7.322 -2.759 2.513 782 HG SER 91 HG SER 91 -7.290 -2.511 4.590 783 H HIS 92 HN HIS 92 -7.639 -1.045 0.463 784 HA HIS 92 HA HIS 92 -6.268 1.105 1.776 785 HB2 HIS 92 1HB HIS 92 -5.420 -0.517 -0.096 786 HB3 HIS 92 2HB HIS 92 -6.156 0.654 -1.186 787 HD1 HIS 92 1HD HIS 92 -4.925 2.519 1.588 788 HD2 HIS 92 2HD HIS 92 -3.197 0.798 -1.775 789 HE1 HIS 92 1HE HIS 92 -2.712 3.678 1.301 790 H SER 93 HN SER 93 -8.551 2.079 2.170 791 HA SER 93 HA SER 93 -8.730 4.458 0.673 792 HB2 SER 93 1HB SER 93 -10.591 4.176 -0.688 793 HB3 SER 93 2HB SER 93 -9.799 2.609 -0.853 794 HG SER 93 HG SER 93 -11.893 2.153 -0.398 795 H GLY 94 HN GLY 94 -9.819 5.985 1.805 796 HA2 GLY 94 2HA GLY 94 -11.753 5.153 3.837 797 HA3 GLY 94 3HA GLY 94 -10.316 5.999 4.391 798 H SER 95 HN SER 95 -13.345 6.274 2.713 799 HA SER 95 HA SER 95 -13.123 9.200 2.908 800 HB2 SER 95 1HB SER 95 -14.759 8.920 0.750 801 HB3 SER 95 2HB SER 95 -13.021 9.198 0.641 802 HG SER 95 HG SER 95 -12.725 7.191 0.017 803 H ASP 96 HN ASP 96 -14.601 6.627 4.099 804 HA ASP 96 HA ASP 96 -16.615 6.161 5.063 805 HB2 ASP 96 1HB ASP 96 -16.610 9.177 5.282 806 HB3 ASP 96 2HB ASP 96 -17.741 8.125 6.128 807 H PHE 97 HN PHE 97 -16.541 6.653 2.129 808 HA PHE 97 HA PHE 97 -17.975 6.768 0.368 809 HB2 PHE 97 1HB PHE 97 -19.124 5.039 1.823 810 HB3 PHE 97 2HB PHE 97 -20.176 6.332 2.389 811 HD1 PHE 97 1HD PHE 97 -18.870 5.423 -0.985 812 HD2 PHE 97 2HD PHE 97 -22.271 6.065 1.493 813 HE1 PHE 97 1HE PHE 97 -20.345 5.063 -2.921 814 HE2 PHE 97 2HE PHE 97 -23.751 5.706 -0.439 815 HZ PHE 97 HZ PHE 97 -22.789 5.203 -2.650 816 H SER 98 HN SER 98 -17.430 9.184 2.086 817 HA SER 98 HA SER 98 -17.997 11.387 2.141 818 HB2 SER 98 1HB SER 98 -18.430 10.576 -0.440 819 HB3 SER 98 2HB SER 98 -19.999 11.258 -0.012 820 HG SER 98 HG SER 98 -17.477 12.547 0.183 821 H PHE 99 HN PHE 99 -19.989 12.925 2.211 822 HA PHE 99 HA PHE 99 -22.235 11.537 3.511 823 HB2 PHE 99 1HB PHE 99 -20.500 12.781 5.032 824 HB3 PHE 99 2HB PHE 99 -21.333 14.228 4.473 825 HD1 PHE 99 2HD PHE 99 -22.061 10.884 5.946 826 HD2 PHE 99 1HD PHE 99 -23.150 14.988 5.658 827 HE1 PHE 99 2HE PHE 99 -23.795 10.540 7.657 828 HE2 PHE 99 1HE PHE 99 -24.885 14.652 7.370 829 HZ PHE 99 HZ PHE 99 -25.210 12.425 8.371 830 H ARG 100 HN ARG 100 -22.154 12.357 0.817 831 HA ARG 100 HA ARG 100 -23.143 14.850 0.197 832 HB2 ARG 100 1HB ARG 100 -23.114 12.225 -1.060 833 HB3 ARG 100 2HB ARG 100 -24.546 13.149 -1.494 834 HG2 ARG 100 1HG ARG 100 -23.029 13.719 -3.143 835 HG3 ARG 100 2HG ARG 100 -22.894 15.058 -2.001 836 HD2 ARG 100 1HD ARG 100 -20.957 13.825 -0.963 837 HD3 ARG 100 2HD ARG 100 -21.031 12.716 -2.332 838 HE ARG 100 HE ARG 100 -19.973 14.292 -3.591 839 HH11 ARG 100 1HH1 ARG 100 -21.423 15.859 -0.841 840 HH12 ARG 100 2HH1 ARG 100 -20.736 17.410 -1.198 841 HH21 ARG 100 1HH2 ARG 100 -19.062 16.328 -4.071 842 HH22 ARG 100 2HH2 ARG 100 -19.394 17.675 -3.035 843 HA PRO 101 HA PRO 101 -27.233 15.202 1.741 844 HB2 PRO 101 1HB PRO 101 -28.531 16.432 -0.302 845 HB3 PRO 101 2HB PRO 101 -27.344 17.256 0.716 846 HG2 PRO 101 1HG PRO 101 -26.999 16.062 -2.007 847 HG3 PRO 101 2HG PRO 101 -26.394 17.605 -1.377 848 HD2 PRO 101 1HD PRO 101 -24.835 15.400 -1.577 849 HD3 PRO 101 2HD PRO 101 -24.618 16.610 -0.296 850 H ILE 102 HN ILE 102 -29.665 15.032 0.750 851 HA ILE 102 HA ILE 102 -29.879 12.616 -0.886 852 HB ILE 102 HB ILE 102 -31.532 12.806 1.607 853 HG12 ILE 102 1HG1 ILE 102 -28.686 11.914 1.350 854 HG13 ILE 102 2HG1 ILE 102 -29.460 12.809 2.653 855 HG21 ILE 102 1HG2 ILE 102 -31.985 10.552 1.244 856 HG22 ILE 102 2HG2 ILE 102 -31.962 11.232 -0.382 857 HG23 ILE 102 3HG2 ILE 102 -30.568 10.333 0.218 858 HD11 ILE 102 3HD1 ILE 102 -29.462 9.876 2.114 859 HD12 ILE 102 1HD1 ILE 102 -29.084 10.745 3.601 860 HD13 ILE 102 2HD1 ILE 102 -30.757 10.610 3.059 861 H GLU 103 HN GLU 103 -30.450 15.391 -1.423 862 HA GLU 103 HA GLU 103 -33.076 16.178 -1.153 863 HB2 GLU 103 1HB GLU 103 -30.853 16.835 -2.901 864 HB3 GLU 103 2HB GLU 103 -32.392 16.956 -3.743 865 HG2 GLU 103 1HG GLU 103 -31.714 19.082 -2.753 866 HG3 GLU 103 2HG GLU 103 -33.228 18.488 -2.073 867 H GLU 104 HN GLU 104 -31.929 14.944 -4.278 868 HA GLU 104 HA GLU 104 -33.659 12.766 -4.501 869 HB2 GLU 104 1HB GLU 104 -35.137 15.064 -4.540 870 HB3 GLU 104 2HB GLU 104 -34.841 14.812 -6.255 871 HG2 GLU 104 1HG GLU 104 -35.625 12.386 -5.765 872 HG3 GLU 104 2HG GLU 104 -36.342 13.105 -4.324 873 H ALA 105 HN ALA 105 -34.384 13.087 -7.259 874 HA ALA 105 HA ALA 105 -32.025 12.217 -8.503 875 HB1 ALA 105 1HB ALA 105 -33.284 12.341 -10.592 876 HB2 ALA 105 2HB ALA 105 -34.247 11.610 -9.307 877 HB3 ALA 105 3HB ALA 105 -34.539 13.282 -9.785 Start of MODEL 17 1 H1 GLY -5 HN GLY -5 -4.102 -5.527 -2.226 2 HA2 GLY -5 2HA GLY -5 -5.302 -3.084 -2.343 3 HA3 GLY -5 3HA GLY -5 -5.924 -3.773 -0.851 4 H SER -4 HN SER -4 -3.490 -1.943 -2.194 5 HA SER -4 HA SER -4 -2.163 -1.487 0.219 6 HB2 SER -4 1HB SER -4 -1.208 -3.668 0.114 7 HB3 SER -4 2HB SER -4 -0.824 -3.493 -1.599 8 HG SER -4 HG SER -4 0.718 -2.926 0.456 9 H HIS -3 HN HIS -3 -1.744 -1.683 -3.289 10 HA HIS -3 HA HIS -3 -0.980 1.124 -3.332 11 HB2 HIS -3 1HB HIS -3 0.937 0.525 -4.930 12 HB3 HIS -3 2HB HIS -3 1.201 0.244 -3.211 13 HD1 HIS -3 1HD HIS -3 0.964 -1.492 -6.472 14 HD2 HIS -3 2HD HIS -3 1.231 -2.498 -2.450 15 HE1 HIS -3 1HE HIS -3 1.554 -3.936 -6.428 16 H MET -2 HN MET -2 -2.816 1.631 -4.463 17 HA MET -2 HA MET -2 -2.897 0.665 -7.232 18 HB2 MET -2 1HB MET -2 -5.338 0.967 -5.474 19 HB3 MET -2 2HB MET -2 -5.323 0.465 -7.159 20 HG2 MET -2 1HG MET -2 -3.857 -1.475 -6.380 21 HG3 MET -2 2HG MET -2 -4.366 -1.035 -4.752 22 HE1 MET -2 3HE MET -2 -7.837 -0.270 -6.214 23 HE2 MET -2 1HE MET -2 -8.122 -1.321 -4.826 24 HE3 MET -2 2HE MET -2 -6.879 -0.072 -4.745 25 H ALA -1 HN ALA -1 -1.873 2.704 -7.679 26 HA ALA -1 HA ALA -1 -3.308 5.146 -7.106 27 HB1 ALA -1 1HB ALA -1 -0.723 4.742 -7.322 28 HB2 ALA -1 2HB ALA -1 -1.037 5.051 -9.031 29 HB3 ALA -1 3HB ALA -1 -1.445 6.271 -7.824 30 H SER 1 HN SER 1 -5.099 3.722 -8.406 31 HA SER 1 HA SER 1 -6.625 4.028 -10.094 32 HB2 SER 1 1HB SER 1 -5.295 6.346 -10.281 33 HB3 SER 1 2HB SER 1 -4.786 5.621 -11.806 34 HG SER 1 HG SER 1 -6.688 6.037 -12.571 35 H ALA 2 HN ALA 2 -3.255 3.587 -11.074 36 HA ALA 2 HA ALA 2 -3.633 2.338 -13.520 37 HB1 ALA 2 1HB ALA 2 -1.418 2.266 -13.454 38 HB2 ALA 2 2HB ALA 2 -1.476 2.805 -11.775 39 HB3 ALA 2 3HB ALA 2 -1.460 1.081 -12.148 40 H ASP 3 HN ASP 3 -4.026 1.084 -10.287 41 HA ASP 3 HA ASP 3 -4.133 -1.672 -11.080 42 HB2 ASP 3 1HB ASP 3 -3.806 -0.362 -8.679 43 HB3 ASP 3 2HB ASP 3 -5.448 -0.988 -8.553 44 H LEU 4 HN LEU 4 -6.500 0.845 -10.334 45 HA LEU 4 HA LEU 4 -8.779 -0.837 -10.555 46 HB2 LEU 4 1HB LEU 4 -8.761 1.315 -9.351 47 HB3 LEU 4 2HB LEU 4 -8.580 2.153 -10.891 48 HG LEU 4 HG LEU 4 -10.869 0.552 -11.154 49 HD11 LEU 4 1HD1 LEU 4 -11.428 0.197 -8.990 50 HD12 LEU 4 2HD1 LEU 4 -12.091 1.822 -9.151 51 HD13 LEU 4 3HD1 LEU 4 -10.510 1.585 -8.407 52 HD21 LEU 4 3HD2 LEU 4 -11.902 2.554 -11.662 53 HD22 LEU 4 1HD2 LEU 4 -10.205 2.934 -11.955 54 HD23 LEU 4 2HD2 LEU 4 -10.979 3.457 -10.459 55 H VAL 5 HN VAL 5 -7.118 1.331 -12.807 56 HA VAL 5 HA VAL 5 -8.958 1.018 -14.939 57 HB VAL 5 HB VAL 5 -6.044 1.814 -15.001 58 HG11 VAL 5 1HG1 VAL 5 -6.764 2.875 -17.208 59 HG12 VAL 5 2HG1 VAL 5 -6.535 1.125 -17.189 60 HG13 VAL 5 3HG1 VAL 5 -8.162 1.803 -17.129 61 HG21 VAL 5 3HG2 VAL 5 -7.805 3.210 -13.719 62 HG22 VAL 5 1HG2 VAL 5 -6.725 4.028 -14.848 63 HG23 VAL 5 2HG2 VAL 5 -8.383 3.657 -15.324 64 H SER 6 HN SER 6 -5.776 -0.461 -14.321 65 HA SER 6 HA SER 6 -5.741 -2.125 -16.574 66 HB2 SER 6 1HB SER 6 -3.797 -1.589 -15.037 67 HB3 SER 6 2HB SER 6 -4.460 -2.778 -13.916 68 HG SER 6 HG SER 6 -4.414 -4.103 -16.061 69 H SER 7 HN SER 7 -7.004 -2.645 -13.317 70 HA SER 7 HA SER 7 -7.677 -5.382 -13.725 71 HB2 SER 7 1HB SER 7 -7.366 -4.598 -11.471 72 HB3 SER 7 2HB SER 7 -8.604 -3.359 -11.676 73 HG SER 7 HG SER 7 -9.510 -5.087 -10.591 74 H CYS 8 HN CYS 8 -9.666 -2.427 -13.579 75 HA CYS 8 HA CYS 8 -12.103 -3.618 -14.232 76 HB2 CYS 8 1HB CYS 8 -11.049 -0.820 -14.580 77 HB3 CYS 8 2HB CYS 8 -12.675 -1.257 -15.089 78 HG CYS 8 HG CYS 8 -12.841 -2.392 -12.227 79 H LYS 9 HN LYS 9 -9.552 -2.323 -16.296 80 HA LYS 9 HA LYS 9 -10.948 -2.530 -18.742 81 HB2 LYS 9 1HB LYS 9 -9.024 -1.155 -18.723 82 HB3 LYS 9 2HB LYS 9 -8.021 -2.430 -18.043 83 HG2 LYS 9 1HG LYS 9 -9.172 -3.204 -20.585 84 HG3 LYS 9 2HG LYS 9 -8.219 -1.724 -20.707 85 HD2 LYS 9 1HD LYS 9 -6.300 -2.840 -20.476 86 HD3 LYS 9 2HD LYS 9 -6.903 -3.724 -19.072 87 HE2 LYS 9 1HE LYS 9 -6.494 -5.408 -20.618 88 HE3 LYS 9 2HE LYS 9 -8.223 -5.115 -20.797 89 HZ1 LYS 9 3HZ LYS 9 -6.087 -4.704 -22.684 90 HZ2 LYS 9 1HZ LYS 9 -7.149 -3.392 -22.570 91 HZ3 LYS 9 2HZ LYS 9 -7.741 -4.929 -22.955 92 H ASP 10 HN ASP 10 -8.525 -4.684 -17.261 93 HA ASP 10 HA ASP 10 -8.461 -6.676 -19.156 94 HB2 ASP 10 1HB ASP 10 -7.031 -6.548 -17.108 95 HB3 ASP 10 2HB ASP 10 -8.401 -7.134 -16.167 96 H LYS 11 HN LYS 11 -10.645 -6.493 -16.348 97 HA LYS 11 HA LYS 11 -12.134 -8.801 -17.057 98 HB2 LYS 11 1HB LYS 11 -13.092 -6.508 -15.344 99 HB3 LYS 11 2HB LYS 11 -13.639 -8.179 -15.300 100 HG2 LYS 11 1HG LYS 11 -10.847 -8.195 -14.858 101 HG3 LYS 11 2HG LYS 11 -11.546 -6.944 -13.827 102 HD2 LYS 11 1HD LYS 11 -13.328 -8.936 -13.449 103 HD3 LYS 11 2HD LYS 11 -11.862 -9.875 -13.739 104 HE2 LYS 11 1HE LYS 11 -11.883 -7.584 -11.806 105 HE3 LYS 11 2HE LYS 11 -12.432 -9.187 -11.322 106 HZ1 LYS 11 3HZ LYS 11 -10.327 -9.729 -10.987 107 HZ2 LYS 11 1HZ LYS 11 -9.795 -8.228 -11.558 108 HZ3 LYS 11 2HZ LYS 11 -10.006 -9.516 -12.634 109 H LEU 12 HN LEU 12 -12.639 -5.335 -17.571 110 HA LEU 12 HA LEU 12 -15.198 -5.418 -18.654 111 HB2 LEU 12 1HB LEU 12 -14.257 -3.318 -18.110 112 HB3 LEU 12 2HB LEU 12 -12.868 -3.589 -19.160 113 HG LEU 12 HG LEU 12 -15.128 -3.672 -20.827 114 HD11 LEU 12 1HD1 LEU 12 -15.222 -1.338 -18.921 115 HD12 LEU 12 2HD1 LEU 12 -16.431 -2.612 -19.072 116 HD13 LEU 12 3HD1 LEU 12 -16.161 -1.491 -20.406 117 HD21 LEU 12 3HD2 LEU 12 -12.917 -1.700 -20.337 118 HD22 LEU 12 1HD2 LEU 12 -14.132 -1.448 -21.591 119 HD23 LEU 12 2HD2 LEU 12 -13.086 -2.868 -21.649 120 H ALA 13 HN ALA 13 -12.059 -5.823 -20.242 121 HA ALA 13 HA ALA 13 -13.127 -6.074 -22.869 122 HB1 ALA 13 1HB ALA 13 -10.978 -5.727 -23.303 123 HB2 ALA 13 2HB ALA 13 -10.529 -6.090 -21.636 124 HB3 ALA 13 3HB ALA 13 -10.663 -7.393 -22.816 125 H TYR 14 HN TYR 14 -12.154 -8.394 -20.380 126 HA TYR 14 HA TYR 14 -12.652 -10.691 -22.006 127 HB2 TYR 14 1HB TYR 14 -11.069 -10.721 -20.107 128 HB3 TYR 14 2HB TYR 14 -12.414 -10.485 -18.996 129 HD1 TYR 14 1HD TYR 14 -12.214 -12.705 -21.978 130 HD2 TYR 14 2HD TYR 14 -12.464 -12.451 -17.738 131 HE1 TYR 14 1HE TYR 14 -12.532 -15.141 -21.857 132 HE2 TYR 14 2HE TYR 14 -12.782 -14.886 -17.605 133 HH TYR 14 HH TYR 14 -12.386 -16.868 -18.888 134 H PHE 15 HN PHE 15 -14.652 -8.531 -20.357 135 HA PHE 15 HA PHE 15 -16.804 -10.498 -20.048 136 HB2 PHE 15 1HB PHE 15 -16.293 -7.777 -18.905 137 HB3 PHE 15 2HB PHE 15 -17.943 -8.385 -18.986 138 HD1 PHE 15 1HD PHE 15 -17.614 -11.215 -18.384 139 HD2 PHE 15 2HD PHE 15 -15.700 -7.819 -16.675 140 HE1 PHE 15 1HE PHE 15 -17.254 -12.471 -16.299 141 HE2 PHE 15 2HE PHE 15 -15.336 -9.070 -14.588 142 HZ PHE 15 HZ PHE 15 -16.113 -11.399 -14.398 143 H ARG 16 HN ARG 16 -18.569 -10.505 -21.315 144 HA ARG 16 HA ARG 16 -18.571 -9.188 -23.786 145 HB2 ARG 16 1HB ARG 16 -21.027 -10.278 -22.414 146 HB3 ARG 16 2HB ARG 16 -20.730 -10.140 -24.142 147 HG2 ARG 16 1HG ARG 16 -18.659 -11.722 -23.361 148 HG3 ARG 16 2HG ARG 16 -19.937 -12.227 -22.254 149 HD2 ARG 16 1HD ARG 16 -20.611 -13.557 -23.922 150 HD3 ARG 16 2HD ARG 16 -21.258 -12.086 -24.646 151 HE ARG 16 HE ARG 16 -18.509 -12.556 -25.312 152 HH11 ARG 16 1HH1 ARG 16 -21.806 -13.316 -26.135 153 HH12 ARG 16 2HH1 ARG 16 -21.442 -13.708 -27.782 154 HH21 ARG 16 1HH2 ARG 16 -18.017 -13.070 -27.479 155 HH22 ARG 16 2HH2 ARG 16 -19.286 -13.568 -28.546 156 H ILE 17 HN ILE 17 -21.038 -8.157 -24.260 157 HA ILE 17 HA ILE 17 -20.795 -5.503 -23.365 158 HB ILE 17 HB ILE 17 -23.327 -6.727 -24.446 159 HG12 ILE 17 1HG1 ILE 17 -20.739 -6.094 -25.791 160 HG13 ILE 17 2HG1 ILE 17 -21.871 -7.406 -26.101 161 HG21 ILE 17 1HG2 ILE 17 -23.836 -4.539 -25.220 162 HG22 ILE 17 2HG2 ILE 17 -23.347 -4.389 -23.533 163 HG23 ILE 17 3HG2 ILE 17 -22.222 -3.953 -24.819 164 HD11 ILE 17 3HD1 ILE 17 -22.128 -6.104 -27.969 165 HD12 ILE 17 1HD1 ILE 17 -23.424 -5.497 -26.939 166 HD13 ILE 17 2HD1 ILE 17 -21.914 -4.595 -27.081 167 H LYS 18 HN LYS 18 -22.395 -8.252 -22.018 168 HA LYS 18 HA LYS 18 -24.421 -7.189 -20.505 169 HB2 LYS 18 1HB LYS 18 -22.457 -9.303 -19.598 170 HB3 LYS 18 2HB LYS 18 -24.064 -9.033 -18.936 171 HG2 LYS 18 1HG LYS 18 -23.428 -9.927 -21.740 172 HG3 LYS 18 2HG LYS 18 -24.056 -10.936 -20.435 173 HD2 LYS 18 1HD LYS 18 -26.029 -9.355 -20.340 174 HD3 LYS 18 2HD LYS 18 -25.430 -8.658 -21.847 175 HE2 LYS 18 1HE LYS 18 -25.690 -10.734 -22.994 176 HE3 LYS 18 2HE LYS 18 -26.026 -11.589 -21.489 177 HZ1 LYS 18 3HZ LYS 18 -28.045 -10.187 -21.274 178 HZ2 LYS 18 1HZ LYS 18 -28.074 -11.221 -22.613 179 HZ3 LYS 18 2HZ LYS 18 -27.748 -9.575 -22.823 180 H GLU 19 HN GLU 19 -20.981 -7.382 -19.616 181 HA GLU 19 HA GLU 19 -21.281 -6.102 -17.110 182 HB2 GLU 19 1HB GLU 19 -19.329 -7.523 -17.842 183 HB3 GLU 19 2HB GLU 19 -18.788 -6.161 -18.813 184 HG2 GLU 19 1HG GLU 19 -19.336 -5.620 -15.963 185 HG3 GLU 19 2HG GLU 19 -17.933 -6.622 -16.330 186 H LEU 20 HN LEU 20 -20.067 -4.882 -20.232 187 HA LEU 20 HA LEU 20 -19.594 -2.260 -19.531 188 HB2 LEU 20 1HB LEU 20 -20.875 -2.839 -22.159 189 HB3 LEU 20 2HB LEU 20 -19.524 -1.773 -21.780 190 HG LEU 20 HG LEU 20 -19.480 -4.775 -22.040 191 HD11 LEU 20 1HD1 LEU 20 -17.833 -4.278 -23.802 192 HD12 LEU 20 2HD1 LEU 20 -18.120 -2.555 -23.561 193 HD13 LEU 20 3HD1 LEU 20 -19.421 -3.592 -24.147 194 HD21 LEU 20 3HD2 LEU 20 -17.754 -4.836 -20.649 195 HD22 LEU 20 1HD2 LEU 20 -17.842 -3.091 -20.408 196 HD23 LEU 20 2HD2 LEU 20 -16.876 -3.751 -21.729 197 H LYS 21 HN LYS 21 -22.621 -3.579 -20.875 198 HA LYS 21 HA LYS 21 -24.107 -1.208 -20.690 199 HB2 LYS 21 1HB LYS 21 -24.755 -3.223 -22.010 200 HB3 LYS 21 2HB LYS 21 -25.155 -4.038 -20.504 201 HG2 LYS 21 1HG LYS 21 -27.201 -3.215 -20.655 202 HG3 LYS 21 2HG LYS 21 -26.531 -1.594 -20.452 203 HD2 LYS 21 1HD LYS 21 -26.651 -2.973 -23.124 204 HD3 LYS 21 2HD LYS 21 -27.976 -1.984 -22.507 205 HE2 LYS 21 1HE LYS 21 -26.764 -0.032 -22.655 206 HE3 LYS 21 2HE LYS 21 -25.213 -0.861 -22.532 207 HZ1 LYS 21 3HZ LYS 21 -26.857 -1.410 -24.885 208 HZ2 LYS 21 1HZ LYS 21 -25.174 -1.317 -24.740 209 HZ3 LYS 21 2HZ LYS 21 -26.097 0.099 -24.803 210 H ASP 22 HN ASP 22 -23.610 -3.838 -18.389 211 HA ASP 22 HA ASP 22 -25.493 -3.194 -16.470 212 HB2 ASP 22 1HB ASP 22 -23.006 -4.714 -16.562 213 HB3 ASP 22 2HB ASP 22 -23.286 -3.982 -14.985 214 H ILE 23 HN ILE 23 -22.131 -2.030 -16.666 215 HA ILE 23 HA ILE 23 -22.382 -0.247 -14.470 216 HB ILE 23 HB ILE 23 -20.381 0.012 -16.708 217 HG12 ILE 23 1HG1 ILE 23 -20.355 -2.308 -15.983 218 HG13 ILE 23 2HG1 ILE 23 -18.925 -1.486 -15.368 219 HG21 ILE 23 1HG2 ILE 23 -19.277 1.441 -15.382 220 HG22 ILE 23 2HG2 ILE 23 -20.813 1.591 -14.530 221 HG23 ILE 23 3HG2 ILE 23 -19.578 0.482 -13.933 222 HD11 ILE 23 3HD1 ILE 23 -20.936 -2.909 -13.942 223 HD12 ILE 23 1HD1 ILE 23 -19.440 -2.193 -13.342 224 HD13 ILE 23 2HD1 ILE 23 -20.918 -1.231 -13.400 225 H LEU 24 HN LEU 24 -22.862 0.067 -17.932 226 HA LEU 24 HA LEU 24 -22.956 2.872 -18.084 227 HB2 LEU 24 1HB LEU 24 -23.744 0.603 -19.766 228 HB3 LEU 24 2HB LEU 24 -24.691 2.067 -20.027 229 HG LEU 24 HG LEU 24 -22.644 3.305 -20.533 230 HD11 LEU 24 1HD1 LEU 24 -20.617 2.571 -20.012 231 HD12 LEU 24 2HD1 LEU 24 -20.878 1.060 -20.883 232 HD13 LEU 24 3HD1 LEU 24 -21.382 1.204 -19.200 233 HD21 LEU 24 3HD2 LEU 24 -22.933 0.752 -22.115 234 HD22 LEU 24 1HD2 LEU 24 -22.121 2.219 -22.663 235 HD23 LEU 24 2HD2 LEU 24 -23.858 2.236 -22.354 236 H ASN 25 HN ASN 25 -25.671 0.555 -17.994 237 HA ASN 25 HA ASN 25 -27.709 2.433 -17.721 238 HB2 ASN 25 1HB ASN 25 -29.124 0.647 -17.348 239 HB3 ASN 25 2HB ASN 25 -27.760 -0.175 -18.101 240 HD21 ASN 25 1HD2 ASN 25 -26.736 -1.731 -17.010 241 HD22 ASN 25 2HD2 ASN 25 -27.065 -2.169 -15.372 242 H GLN 26 HN GLN 26 -25.701 0.872 -15.280 243 HA GLN 26 HA GLN 26 -27.138 1.972 -13.061 244 HB2 GLN 26 1HB GLN 26 -24.543 0.500 -13.377 245 HB3 GLN 26 2HB GLN 26 -24.949 1.258 -11.842 246 HG2 GLN 26 1HG GLN 26 -26.880 -0.102 -11.588 247 HG3 GLN 26 2HG GLN 26 -26.739 -0.713 -13.235 248 HE21 GLN 26 1HE2 GLN 26 -24.237 -1.478 -13.518 249 HE22 GLN 26 2HE2 GLN 26 -23.795 -2.685 -12.363 250 H LEU 27 HN LEU 27 -24.714 3.121 -15.187 251 HA LEU 27 HA LEU 27 -23.727 5.142 -13.354 252 HB2 LEU 27 1HB LEU 27 -23.062 4.250 -16.111 253 HB3 LEU 27 2HB LEU 27 -22.627 5.891 -15.638 254 HG LEU 27 HG LEU 27 -21.778 3.520 -14.006 255 HD11 LEU 27 1HD1 LEU 27 -21.048 3.164 -16.336 256 HD12 LEU 27 2HD1 LEU 27 -19.702 3.442 -15.231 257 HD13 LEU 27 3HD1 LEU 27 -20.247 4.734 -16.301 258 HD21 LEU 27 3HD2 LEU 27 -21.670 6.046 -13.320 259 HD22 LEU 27 1HD2 LEU 27 -20.254 6.056 -14.371 260 HD23 LEU 27 2HD2 LEU 27 -20.316 4.966 -12.986 261 H GLY 28 HN GLY 28 -25.913 4.877 -16.087 262 HA2 GLY 28 2HA GLY 28 -27.658 6.303 -16.645 263 HA3 GLY 28 3HA GLY 28 -27.112 7.412 -15.395 264 H LEU 29 HN LEU 29 -25.273 6.115 -18.128 265 HA LEU 29 HA LEU 29 -25.067 8.860 -19.180 266 HB2 LEU 29 1HB LEU 29 -22.981 6.794 -18.689 267 HB3 LEU 29 2HB LEU 29 -22.787 7.876 -20.067 268 HG LEU 29 HG LEU 29 -23.055 8.743 -17.188 269 HD11 LEU 29 1HD1 LEU 29 -20.646 9.475 -17.626 270 HD12 LEU 29 2HD1 LEU 29 -20.688 8.360 -18.991 271 HD13 LEU 29 3HD1 LEU 29 -20.942 7.757 -17.353 272 HD21 LEU 29 3HD2 LEU 29 -22.202 10.920 -18.241 273 HD22 LEU 29 1HD2 LEU 29 -23.899 10.499 -18.474 274 HD23 LEU 29 2HD2 LEU 29 -22.738 10.230 -19.774 275 HA PRO 30 HA PRO 30 -26.847 6.135 -22.467 276 HB2 PRO 30 1HB PRO 30 -28.647 7.977 -23.327 277 HB3 PRO 30 2HB PRO 30 -28.971 6.869 -21.987 278 HG2 PRO 30 1HG PRO 30 -28.104 9.734 -21.910 279 HG3 PRO 30 2HG PRO 30 -29.324 8.907 -20.923 280 HD2 PRO 30 1HD PRO 30 -26.824 9.422 -20.019 281 HD3 PRO 30 2HD PRO 30 -27.746 7.992 -19.514 282 H LYS 31 HN LYS 31 -24.701 6.474 -23.422 283 HA LYS 31 HA LYS 31 -24.872 7.965 -25.844 284 HB2 LYS 31 1HB LYS 31 -24.178 9.623 -23.923 285 HB3 LYS 31 2HB LYS 31 -22.599 8.873 -24.122 286 HG2 LYS 31 1HG LYS 31 -23.913 9.762 -26.603 287 HG3 LYS 31 2HG LYS 31 -23.417 11.037 -25.487 288 HD2 LYS 31 1HD LYS 31 -21.402 10.855 -26.445 289 HD3 LYS 31 2HD LYS 31 -21.235 9.370 -25.507 290 HE2 LYS 31 1HE LYS 31 -22.495 8.306 -27.541 291 HE3 LYS 31 2HE LYS 31 -21.908 9.733 -28.393 292 HZ1 LYS 31 3HZ LYS 31 -20.521 7.430 -28.018 293 HZ2 LYS 31 1HZ LYS 31 -19.876 8.448 -26.831 294 HZ3 LYS 31 2HZ LYS 31 -19.851 8.921 -28.454 295 H GLN 32 HN GLN 32 -24.574 5.440 -25.908 296 HA GLN 32 HA GLN 32 -21.706 4.956 -26.355 297 HB2 GLN 32 1HB GLN 32 -22.340 2.496 -25.807 298 HB3 GLN 32 2HB GLN 32 -22.071 3.627 -24.487 299 HG2 GLN 32 1HG GLN 32 -24.086 2.083 -24.331 300 HG3 GLN 32 2HG GLN 32 -24.343 3.796 -24.007 301 HE21 GLN 32 1HE2 GLN 32 -26.020 4.683 -24.963 302 HE22 GLN 32 2HE2 GLN 32 -26.796 4.114 -26.398 303 H GLY 33 HN GLY 33 -21.782 2.524 -27.547 304 HA2 GLY 33 2HA GLY 33 -23.788 2.485 -29.634 305 HA3 GLY 33 3HA GLY 33 -22.181 2.941 -30.179 306 H LYS 34 HN LYS 34 -20.593 1.401 -30.359 307 HA LYS 34 HA LYS 34 -21.532 -1.366 -30.211 308 HB2 LYS 34 1HB LYS 34 -19.676 -1.906 -31.674 309 HB3 LYS 34 2HB LYS 34 -20.574 -0.549 -32.340 310 HG2 LYS 34 1HG LYS 34 -18.571 0.568 -30.728 311 HG3 LYS 34 2HG LYS 34 -17.802 -0.729 -31.646 312 HD2 LYS 34 1HD LYS 34 -17.655 1.322 -32.902 313 HD3 LYS 34 2HD LYS 34 -18.772 0.226 -33.718 314 HE2 LYS 34 1HE LYS 34 -20.666 1.421 -32.847 315 HE3 LYS 34 2HE LYS 34 -19.624 2.425 -31.840 316 HZ1 LYS 34 3HZ LYS 34 -20.496 3.325 -34.089 317 HZ2 LYS 34 1HZ LYS 34 -19.241 2.407 -34.756 318 HZ3 LYS 34 2HZ LYS 34 -18.895 3.628 -33.638 319 H LYS 35 HN LYS 35 -19.479 -2.909 -29.834 320 HA LYS 35 HA LYS 35 -18.946 -2.933 -27.138 321 HB2 LYS 35 1HB LYS 35 -17.850 -4.274 -29.508 322 HB3 LYS 35 2HB LYS 35 -16.721 -4.172 -28.164 323 HG2 LYS 35 1HG LYS 35 -19.515 -5.192 -27.795 324 HG3 LYS 35 2HG LYS 35 -18.199 -6.242 -28.324 325 HD2 LYS 35 1HD LYS 35 -17.912 -4.533 -25.878 326 HD3 LYS 35 2HD LYS 35 -18.741 -6.089 -25.800 327 HE2 LYS 35 1HE LYS 35 -15.934 -5.664 -26.819 328 HE3 LYS 35 2HE LYS 35 -16.349 -6.242 -25.206 329 HZ1 LYS 35 3HZ LYS 35 -16.099 -8.229 -26.212 330 HZ2 LYS 35 1HZ LYS 35 -16.439 -7.635 -27.759 331 HZ3 LYS 35 2HZ LYS 35 -17.702 -7.971 -26.685 332 H GLN 36 HN GLN 36 -17.339 -1.137 -29.643 333 HA GLN 36 HA GLN 36 -14.996 -0.502 -28.142 334 HB2 GLN 36 1HB GLN 36 -16.186 0.324 -30.725 335 HB3 GLN 36 2HB GLN 36 -15.104 1.483 -29.965 336 HG2 GLN 36 1HG GLN 36 -14.383 -1.384 -30.517 337 HG3 GLN 36 2HG GLN 36 -14.013 -0.040 -31.596 338 HE21 GLN 36 1HE2 GLN 36 -13.374 -1.466 -28.472 339 HE22 GLN 36 2HE2 GLN 36 -11.889 -0.634 -28.178 340 H ASP 37 HN ASP 37 -17.993 1.255 -28.884 341 HA ASP 37 HA ASP 37 -17.366 3.618 -27.515 342 HB2 ASP 37 1HB ASP 37 -19.681 2.459 -28.787 343 HB3 ASP 37 2HB ASP 37 -20.146 3.247 -27.281 344 H LEU 38 HN LEU 38 -19.145 0.739 -26.423 345 HA LEU 38 HA LEU 38 -19.710 1.636 -23.832 346 HB2 LEU 38 1HB LEU 38 -19.178 -1.219 -24.619 347 HB3 LEU 38 2HB LEU 38 -20.176 -0.640 -23.287 348 HG LEU 38 HG LEU 38 -21.034 0.252 -25.955 349 HD11 LEU 38 1HD1 LEU 38 -20.780 -2.634 -25.256 350 HD12 LEU 38 2HD1 LEU 38 -20.570 -1.826 -26.809 351 HD13 LEU 38 3HD1 LEU 38 -22.190 -2.087 -26.163 352 HD21 LEU 38 3HD2 LEU 38 -22.206 -0.618 -23.372 353 HD22 LEU 38 1HD2 LEU 38 -23.182 -0.829 -24.827 354 HD23 LEU 38 2HD2 LEU 38 -22.594 0.774 -24.385 355 H ILE 39 HN ILE 39 -17.120 -0.588 -24.875 356 HA ILE 39 HA ILE 39 -15.791 -0.810 -22.462 357 HB ILE 39 HB ILE 39 -14.987 -1.119 -25.299 358 HG12 ILE 39 1HG1 ILE 39 -14.038 -3.081 -23.387 359 HG13 ILE 39 2HG1 ILE 39 -15.758 -2.772 -23.176 360 HG21 ILE 39 1HG2 ILE 39 -12.627 -1.657 -24.468 361 HG22 ILE 39 2HG2 ILE 39 -13.059 0.040 -24.668 362 HG23 ILE 39 3HG2 ILE 39 -13.041 -0.681 -23.059 363 HD11 ILE 39 3HD1 ILE 39 -14.999 -4.637 -24.779 364 HD12 ILE 39 1HD1 ILE 39 -16.284 -3.542 -25.289 365 HD13 ILE 39 2HD1 ILE 39 -14.642 -3.315 -25.891 366 H ASP 40 HN ASP 40 -15.187 1.541 -25.066 367 HA ASP 40 HA ASP 40 -13.117 2.927 -23.762 368 HB2 ASP 40 1HB ASP 40 -13.960 3.025 -26.242 369 HB3 ASP 40 2HB ASP 40 -14.990 4.321 -25.641 370 H ARG 41 HN ARG 41 -16.578 3.092 -23.474 371 HA ARG 41 HA ARG 41 -16.760 5.637 -22.251 372 HB2 ARG 41 1HB ARG 41 -18.532 3.453 -22.884 373 HB3 ARG 41 2HB ARG 41 -18.853 4.039 -21.258 374 HG2 ARG 41 1HG ARG 41 -18.770 5.755 -23.731 375 HG3 ARG 41 2HG ARG 41 -20.235 5.144 -22.959 376 HD2 ARG 41 1HD ARG 41 -18.247 7.130 -21.897 377 HD3 ARG 41 2HD ARG 41 -19.974 7.350 -22.174 378 HE ARG 41 HE ARG 41 -18.744 6.312 -19.831 379 HH11 ARG 41 1HH1 ARG 41 -21.570 6.023 -21.844 380 HH12 ARG 41 2HH1 ARG 41 -22.586 5.456 -20.561 381 HH21 ARG 41 1HH2 ARG 41 -20.072 5.565 -18.133 382 HH22 ARG 41 2HH2 ARG 41 -21.733 5.196 -18.450 383 H VAL 42 HN VAL 42 -16.703 2.352 -20.876 384 HA VAL 42 HA VAL 42 -16.806 3.104 -18.180 385 HB VAL 42 HB VAL 42 -15.622 0.660 -19.492 386 HG11 VAL 42 1HG1 VAL 42 -15.780 -0.326 -17.165 387 HG12 VAL 42 2HG1 VAL 42 -14.470 0.825 -17.435 388 HG13 VAL 42 3HG1 VAL 42 -15.925 1.330 -16.575 389 HG21 VAL 42 3HG2 VAL 42 -17.652 -0.427 -18.624 390 HG22 VAL 42 1HG2 VAL 42 -18.202 1.129 -18.001 391 HG23 VAL 42 2HG2 VAL 42 -18.027 0.887 -19.739 392 H LEU 43 HN LEU 43 -13.969 2.228 -20.157 393 HA LEU 43 HA LEU 43 -12.027 2.741 -18.220 394 HB2 LEU 43 1HB LEU 43 -11.712 3.132 -21.189 395 HB3 LEU 43 2HB LEU 43 -10.438 2.799 -20.019 396 HG LEU 43 HG LEU 43 -12.573 0.914 -21.000 397 HD11 LEU 43 1HD1 LEU 43 -9.781 0.090 -21.033 398 HD12 LEU 43 2HD1 LEU 43 -10.098 1.512 -22.026 399 HD13 LEU 43 3HD1 LEU 43 -11.000 0.023 -22.306 400 HD21 LEU 43 3HD2 LEU 43 -10.807 0.793 -18.601 401 HD22 LEU 43 1HD2 LEU 43 -11.158 -0.690 -19.488 402 HD23 LEU 43 2HD2 LEU 43 -12.476 0.259 -18.801 403 H ALA 44 HN ALA 44 -13.628 4.890 -20.496 404 HA ALA 44 HA ALA 44 -11.957 7.138 -20.099 405 HB1 ALA 44 1HB ALA 44 -13.842 8.424 -21.073 406 HB2 ALA 44 2HB ALA 44 -13.374 7.021 -22.035 407 HB3 ALA 44 3HB ALA 44 -14.819 6.957 -21.025 408 H LEU 45 HN LEU 45 -14.668 5.836 -18.333 409 HA LEU 45 HA LEU 45 -15.136 8.201 -16.776 410 HB2 LEU 45 1HB LEU 45 -17.039 7.122 -16.434 411 HB3 LEU 45 2HB LEU 45 -16.375 5.660 -17.161 412 HG LEU 45 HG LEU 45 -15.374 5.187 -14.852 413 HD11 LEU 45 1HD1 LEU 45 -17.510 6.592 -13.509 414 HD12 LEU 45 2HD1 LEU 45 -16.407 7.709 -14.312 415 HD13 LEU 45 3HD1 LEU 45 -15.785 6.545 -13.143 416 HD21 LEU 45 3HD2 LEU 45 -18.376 5.158 -15.135 417 HD22 LEU 45 1HD2 LEU 45 -17.399 4.109 -14.108 418 HD23 LEU 45 2HD2 LEU 45 -17.281 3.982 -15.863 419 H LEU 46 HN LEU 46 -13.507 5.099 -16.235 420 HA LEU 46 HA LEU 46 -12.710 5.795 -13.562 421 HB2 LEU 46 1HB LEU 46 -11.497 3.606 -15.213 422 HB3 LEU 46 2HB LEU 46 -11.686 3.691 -13.463 423 HG LEU 46 HG LEU 46 -13.957 3.341 -15.418 424 HD11 LEU 46 1HD1 LEU 46 -13.649 1.065 -13.819 425 HD12 LEU 46 2HD1 LEU 46 -12.037 1.456 -14.418 426 HD13 LEU 46 3HD1 LEU 46 -13.364 1.210 -15.554 427 HD21 LEU 46 3HD2 LEU 46 -14.001 4.244 -12.812 428 HD22 LEU 46 1HD2 LEU 46 -14.340 2.520 -12.657 429 HD23 LEU 46 2HD2 LEU 46 -15.354 3.529 -13.689 430 H THR 47 HN THR 47 -11.587 6.565 -16.640 431 HA THR 47 HA THR 47 -8.853 7.052 -15.670 432 HB THR 47 HB THR 47 -9.899 7.007 -18.508 433 HG1 THR 47 1HG THR 47 -8.392 5.126 -18.517 434 HG21 THR 47 3HG2 THR 47 -8.060 8.577 -18.298 435 HG22 THR 47 1HG2 THR 47 -7.512 7.128 -19.139 436 HG23 THR 47 2HG2 THR 47 -7.096 7.374 -17.443 437 H ASP 48 HN ASP 48 -11.037 8.634 -18.006 438 HA ASP 48 HA ASP 48 -9.916 11.208 -17.531 439 HB2 ASP 48 1HB ASP 48 -11.845 10.029 -19.331 440 HB3 ASP 48 2HB ASP 48 -12.443 11.562 -18.705 441 H GLU 49 HN GLU 49 -12.155 9.345 -15.832 442 HA GLU 49 HA GLU 49 -13.018 11.717 -14.321 443 HB2 GLU 49 1HB GLU 49 -14.670 9.813 -15.741 444 HB3 GLU 49 2HB GLU 49 -15.049 9.810 -14.024 445 HG2 GLU 49 1HG GLU 49 -15.941 11.874 -14.076 446 HG3 GLU 49 2HG GLU 49 -14.785 12.463 -15.269 447 H GLN 50 HN GLN 50 -10.887 9.656 -13.955 448 HA GLN 50 HA GLN 50 -11.496 7.777 -12.017 449 HB2 GLN 50 1HB GLN 50 -9.185 7.662 -11.548 450 HB3 GLN 50 2HB GLN 50 -9.294 8.123 -13.242 451 HG2 GLN 50 1HG GLN 50 -9.114 10.307 -11.253 452 HG3 GLN 50 2HG GLN 50 -7.671 9.331 -11.522 453 HE21 GLN 50 1HE2 GLN 50 -10.028 11.428 -13.041 454 HE22 GLN 50 2HE2 GLN 50 -9.048 11.869 -14.393 455 H GLY 51 HN GLY 51 -11.360 11.208 -11.755 456 HA2 GLY 51 2HA GLY 51 -11.872 12.613 -10.011 457 HA3 GLY 51 3HA GLY 51 -12.484 11.204 -9.158 458 H GLN 52 HN GLN 52 -9.209 11.985 -10.300 459 HA GLN 52 HA GLN 52 -7.924 10.985 -8.027 460 HB2 GLN 52 1HB GLN 52 -7.175 12.471 -10.420 461 HB3 GLN 52 2HB GLN 52 -6.202 12.915 -9.023 462 HG2 GLN 52 1HG GLN 52 -6.539 10.040 -9.301 463 HG3 GLN 52 2HG GLN 52 -5.762 10.785 -10.697 464 HE21 GLN 52 1HE2 GLN 52 -5.616 11.612 -7.261 465 HE22 GLN 52 2HE2 GLN 52 -3.906 11.419 -7.107 466 H ARG 53 HN ARG 53 -8.911 14.284 -8.852 467 HA ARG 53 HA ARG 53 -8.793 14.974 -6.016 468 HB2 ARG 53 1HB ARG 53 -7.736 17.199 -6.672 469 HB3 ARG 53 2HB ARG 53 -6.682 15.791 -6.677 470 HG2 ARG 53 1HG ARG 53 -6.181 16.098 -8.811 471 HG3 ARG 53 2HG ARG 53 -7.888 16.135 -9.259 472 HD2 ARG 53 1HD ARG 53 -6.900 18.211 -9.918 473 HD3 ARG 53 2HD ARG 53 -7.954 18.519 -8.539 474 HE ARG 53 HE ARG 53 -5.487 18.118 -7.440 475 HH11 ARG 53 1HH1 ARG 53 -6.792 20.263 -9.853 476 HH12 ARG 53 2HH1 ARG 53 -5.675 21.541 -9.508 477 HH21 ARG 53 1HH2 ARG 53 -4.011 19.794 -6.977 478 HH22 ARG 53 2HH2 ARG 53 -4.092 21.273 -7.873 479 H HIS 54 HN HIS 54 -11.142 14.572 -6.783 480 HA HIS 54 HA HIS 54 -12.516 17.003 -6.729 481 HB2 HIS 54 1HB HIS 54 -11.758 16.108 -9.388 482 HB3 HIS 54 2HB HIS 54 -13.506 16.250 -9.222 483 HD1 HIS 54 1HD HIS 54 -11.374 18.149 -10.822 484 HD2 HIS 54 2HD HIS 54 -13.460 18.992 -7.329 485 HE1 HIS 54 1HE HIS 54 -11.471 20.658 -10.685 486 H HIS 55 HN HIS 55 -13.291 15.473 -5.065 487 HA HIS 55 HA HIS 55 -14.736 13.905 -4.225 488 HB2 HIS 55 1HB HIS 55 -17.029 14.215 -4.938 489 HB3 HIS 55 2HB HIS 55 -16.225 15.782 -4.894 490 HD1 HIS 55 1HD HIS 55 -17.355 13.161 -7.379 491 HD2 HIS 55 2HD HIS 55 -16.282 17.172 -7.249 492 HE1 HIS 55 1HE HIS 55 -17.881 14.072 -9.663 493 H GLY 56 HN GLY 56 -16.752 12.382 -5.369 494 HA2 GLY 56 2HA GLY 56 -16.935 10.881 -7.359 495 HA3 GLY 56 3HA GLY 56 -15.206 10.626 -7.175 496 H TRP 57 HN TRP 57 -17.468 10.821 -4.498 497 HA TRP 57 HA TRP 57 -16.938 7.975 -3.950 498 HB2 TRP 57 1HB TRP 57 -17.873 9.428 -1.637 499 HB3 TRP 57 2HB TRP 57 -16.378 8.523 -1.854 500 HD1 TRP 57 HD TRP 57 -14.219 9.915 -2.708 501 HE1 TRP 57 1HE TRP 57 -13.642 12.416 -2.518 502 HE3 TRP 57 3HE TRP 57 -18.871 11.742 -1.634 503 HZ2 TRP 57 2HZ TRP 57 -14.981 14.842 -1.982 504 HZ3 TRP 57 3HZ TRP 57 -19.138 14.164 -1.296 505 HH2 TRP 57 HH TRP 57 -17.232 15.681 -1.466 506 H GLY 58 HN GLY 58 -19.341 10.404 -2.906 507 HA2 GLY 58 2HA GLY 58 -21.616 10.227 -2.622 508 HA3 GLY 58 3HA GLY 58 -21.570 9.394 -4.169 509 H ARG 59 HN ARG 59 -20.022 8.212 -1.249 510 HA ARG 59 HA ARG 59 -20.207 6.178 -0.217 511 HB2 ARG 59 1HB ARG 59 -22.080 6.047 1.097 512 HB3 ARG 59 2HB ARG 59 -22.215 7.716 0.559 513 HG2 ARG 59 1HG ARG 59 -23.548 6.357 -1.408 514 HG3 ARG 59 2HG ARG 59 -23.948 5.433 0.042 515 HD2 ARG 59 1HD ARG 59 -25.616 7.054 -0.047 516 HD3 ARG 59 2HD ARG 59 -24.457 7.719 1.103 517 HE ARG 59 HE ARG 59 -23.985 9.408 -0.385 518 HH11 ARG 59 1HH1 ARG 59 -25.864 6.939 -1.964 519 HH12 ARG 59 2HH1 ARG 59 -26.154 7.887 -3.386 520 HH21 ARG 59 1HH2 ARG 59 -24.360 10.665 -2.251 521 HH22 ARG 59 2HH2 ARG 59 -25.298 10.005 -3.548 522 H LYS 60 HN LYS 60 -20.349 6.145 -3.158 523 HA LYS 60 HA LYS 60 -20.529 4.537 -4.765 524 HB2 LYS 60 1HB LYS 60 -20.164 3.031 -2.649 525 HB3 LYS 60 2HB LYS 60 -21.869 2.655 -2.858 526 HG2 LYS 60 1HG LYS 60 -20.478 2.434 -5.364 527 HG3 LYS 60 2HG LYS 60 -19.695 1.451 -4.124 528 HD2 LYS 60 1HD LYS 60 -22.660 1.391 -4.655 529 HD3 LYS 60 2HD LYS 60 -21.513 0.301 -5.439 530 HE2 LYS 60 1HE LYS 60 -21.516 -1.030 -3.661 531 HE3 LYS 60 2HE LYS 60 -21.027 0.309 -2.624 532 HZ1 LYS 60 3HZ LYS 60 -23.257 -0.927 -2.203 533 HZ2 LYS 60 1HZ LYS 60 -23.842 0.078 -3.432 534 HZ3 LYS 60 2HZ LYS 60 -23.180 0.754 -2.030 535 H ASN 61 HN ASN 61 -22.104 5.941 -5.723 536 HA ASN 61 HA ASN 61 -24.909 5.361 -5.225 537 HB2 ASN 61 1HB ASN 61 -24.264 7.141 -7.470 538 HB3 ASN 61 2HB ASN 61 -25.335 7.401 -6.096 539 HD21 ASN 61 1HD2 ASN 61 -21.932 7.317 -7.028 540 HD22 ASN 61 2HD2 ASN 61 -21.407 8.505 -5.888 541 H SER 62 HN SER 62 -22.832 3.563 -6.648 542 HA SER 62 HA SER 62 -22.930 1.940 -8.245 543 HB2 SER 62 1HB SER 62 -25.558 2.319 -7.560 544 HB3 SER 62 2HB SER 62 -25.592 2.610 -9.299 545 HG SER 62 HG SER 62 -25.891 0.401 -8.811 546 H LEU 63 HN LEU 63 -22.324 4.870 -8.776 547 HA LEU 63 HA LEU 63 -22.207 4.604 -11.687 548 HB2 LEU 63 1HB LEU 63 -22.848 6.950 -11.991 549 HB3 LEU 63 2HB LEU 63 -24.148 5.982 -11.298 550 HG LEU 63 HG LEU 63 -23.070 6.982 -9.044 551 HD11 LEU 63 1HD1 LEU 63 -22.962 9.548 -10.066 552 HD12 LEU 63 2HD1 LEU 63 -22.014 8.595 -11.207 553 HD13 LEU 63 3HD1 LEU 63 -21.598 8.587 -9.494 554 HD21 LEU 63 3HD2 LEU 63 -24.892 8.577 -9.044 555 HD22 LEU 63 1HD2 LEU 63 -25.428 7.051 -9.749 556 HD23 LEU 63 2HD2 LEU 63 -25.060 8.424 -10.793 557 H THR 64 HN THR 64 -20.317 4.398 -9.395 558 HA THR 64 HA THR 64 -18.345 6.338 -10.393 559 HB THR 64 HB THR 64 -17.682 5.792 -7.699 560 HG1 THR 64 1HG THR 64 -19.971 5.297 -7.489 561 HG21 THR 64 3HG2 THR 64 -17.155 7.826 -9.002 562 HG22 THR 64 1HG2 THR 64 -17.889 8.197 -7.442 563 HG23 THR 64 2HG2 THR 64 -18.852 8.297 -8.916 564 H LYS 65 HN LYS 65 -16.099 5.641 -9.263 565 HA LYS 65 HA LYS 65 -15.207 3.382 -10.540 566 HB2 LYS 65 1HB LYS 65 -13.270 3.440 -9.008 567 HB3 LYS 65 2HB LYS 65 -13.679 5.033 -9.632 568 HG2 LYS 65 1HG LYS 65 -15.075 5.171 -7.400 569 HG3 LYS 65 2HG LYS 65 -13.908 3.955 -6.875 570 HD2 LYS 65 1HD LYS 65 -13.203 6.644 -8.050 571 HD3 LYS 65 2HD LYS 65 -13.201 6.257 -6.327 572 HE2 LYS 65 1HE LYS 65 -11.072 5.655 -6.589 573 HE3 LYS 65 2HE LYS 65 -11.675 4.247 -7.462 574 HZ1 LYS 65 3HZ LYS 65 -10.190 5.175 -8.940 575 HZ2 LYS 65 1HZ LYS 65 -10.594 6.768 -8.536 576 HZ3 LYS 65 2HZ LYS 65 -11.653 5.837 -9.470 577 H GLU 66 HN GLU 66 -16.604 3.648 -7.318 578 HA GLU 66 HA GLU 66 -16.015 1.062 -6.405 579 HB2 GLU 66 1HB GLU 66 -18.487 2.650 -5.712 580 HB3 GLU 66 2HB GLU 66 -17.700 1.418 -4.735 581 HG2 GLU 66 1HG GLU 66 -15.745 2.873 -4.492 582 HG3 GLU 66 2HG GLU 66 -16.559 4.112 -5.444 583 H ALA 67 HN ALA 67 -18.753 2.316 -8.258 584 HA ALA 67 HA ALA 67 -20.287 -0.051 -8.252 585 HB1 ALA 67 1HB ALA 67 -21.674 0.992 -9.797 586 HB2 ALA 67 2HB ALA 67 -20.965 2.346 -8.916 587 HB3 ALA 67 3HB ALA 67 -20.350 1.914 -10.511 588 H VAL 68 HN VAL 68 -18.032 1.267 -10.674 589 HA VAL 68 HA VAL 68 -18.246 -0.747 -12.574 590 HB VAL 68 HB VAL 68 -15.701 0.728 -11.895 591 HG11 VAL 68 1HG1 VAL 68 -15.457 0.498 -14.447 592 HG12 VAL 68 2HG1 VAL 68 -15.152 -0.923 -13.445 593 HG13 VAL 68 3HG1 VAL 68 -16.685 -0.760 -14.303 594 HG21 VAL 68 3HG2 VAL 68 -18.232 1.657 -13.060 595 HG22 VAL 68 1HG2 VAL 68 -16.938 2.567 -12.281 596 HG23 VAL 68 2HG2 VAL 68 -16.788 2.094 -13.973 597 H ALA 69 HN ALA 69 -16.012 -0.516 -9.818 598 HA ALA 69 HA ALA 69 -14.775 -3.036 -10.339 599 HB1 ALA 69 1HB ALA 69 -14.754 -1.646 -7.680 600 HB2 ALA 69 2HB ALA 69 -13.511 -2.666 -8.407 601 HB3 ALA 69 3HB ALA 69 -13.810 -1.049 -9.045 602 H LYS 70 HN LYS 70 -17.617 -2.020 -8.662 603 HA LYS 70 HA LYS 70 -17.902 -4.214 -6.900 604 HB2 LYS 70 1HB LYS 70 -19.172 -2.193 -6.536 605 HB3 LYS 70 2HB LYS 70 -19.949 -2.347 -8.106 606 HG2 LYS 70 1HG LYS 70 -21.339 -4.042 -7.406 607 HG3 LYS 70 2HG LYS 70 -20.262 -4.525 -6.093 608 HD2 LYS 70 1HD LYS 70 -21.470 -3.298 -4.688 609 HD3 LYS 70 2HD LYS 70 -21.024 -1.852 -5.595 610 HE2 LYS 70 1HE LYS 70 -23.007 -1.768 -6.697 611 HE3 LYS 70 2HE LYS 70 -23.186 -3.521 -6.731 612 HZ1 LYS 70 3HZ LYS 70 -24.247 -3.543 -4.755 613 HZ2 LYS 70 1HZ LYS 70 -24.651 -1.957 -5.187 614 HZ3 LYS 70 2HZ LYS 70 -23.369 -2.243 -4.121 615 H ILE 71 HN ILE 71 -19.265 -3.573 -10.123 616 HA ILE 71 HA ILE 71 -20.544 -6.125 -10.293 617 HB ILE 71 HB ILE 71 -19.878 -4.369 -12.643 618 HG12 ILE 71 1HG1 ILE 71 -20.872 -2.960 -10.884 619 HG13 ILE 71 2HG1 ILE 71 -21.971 -3.162 -12.244 620 HG21 ILE 71 1HG2 ILE 71 -20.919 -6.089 -13.636 621 HG22 ILE 71 2HG2 ILE 71 -21.609 -6.671 -12.122 622 HG23 ILE 71 3HG2 ILE 71 -22.391 -5.356 -13.000 623 HD11 ILE 71 3HD1 ILE 71 -23.523 -3.756 -10.788 624 HD12 ILE 71 1HD1 ILE 71 -22.600 -5.229 -10.489 625 HD13 ILE 71 2HD1 ILE 71 -22.349 -3.808 -9.474 626 H VAL 72 HN VAL 72 -17.538 -4.743 -11.538 627 HA VAL 72 HA VAL 72 -16.774 -6.879 -13.186 628 HB VAL 72 HB VAL 72 -15.134 -4.817 -11.723 629 HG11 VAL 72 1HG1 VAL 72 -13.481 -6.365 -11.964 630 HG12 VAL 72 2HG1 VAL 72 -14.273 -7.164 -13.323 631 HG13 VAL 72 3HG1 VAL 72 -13.416 -5.642 -13.571 632 HG21 VAL 72 3HG2 VAL 72 -15.159 -3.599 -13.667 633 HG22 VAL 72 1HG2 VAL 72 -15.397 -5.021 -14.683 634 HG23 VAL 72 2HG2 VAL 72 -16.744 -4.366 -13.752 635 H ASP 73 HN ASP 73 -16.181 -6.255 -9.755 636 HA ASP 73 HA ASP 73 -14.523 -8.545 -9.373 637 HB2 ASP 73 1HB ASP 73 -14.669 -6.408 -7.929 638 HB3 ASP 73 2HB ASP 73 -16.066 -7.178 -7.181 639 H ASP 74 HN ASP 74 -17.919 -7.824 -8.609 640 HA ASP 74 HA ASP 74 -18.546 -10.309 -7.468 641 HB2 ASP 74 1HB ASP 74 -20.131 -8.088 -8.685 642 HB3 ASP 74 2HB ASP 74 -20.938 -9.621 -8.368 643 H THR 75 HN THR 75 -18.768 -9.161 -10.811 644 HA THR 75 HA THR 75 -19.962 -11.501 -11.861 645 HB THR 75 HB THR 75 -18.245 -9.470 -13.302 646 HG1 THR 75 1HG THR 75 -20.920 -9.499 -12.473 647 HG21 THR 75 3HG2 THR 75 -19.243 -10.251 -15.322 648 HG22 THR 75 1HG2 THR 75 -20.364 -11.289 -14.442 649 HG23 THR 75 2HG2 THR 75 -18.642 -11.671 -14.466 650 H TYR 76 HN TYR 76 -16.591 -10.436 -11.605 651 HA TYR 76 HA TYR 76 -15.477 -12.640 -12.989 652 HB2 TYR 76 1HB TYR 76 -14.414 -10.350 -12.366 653 HB3 TYR 76 2HB TYR 76 -14.001 -11.138 -10.847 654 HD1 TYR 76 1HD TYR 76 -14.007 -12.507 -14.314 655 HD2 TYR 76 2HD TYR 76 -11.693 -11.428 -10.910 656 HE1 TYR 76 1HE TYR 76 -12.010 -13.482 -15.370 657 HE2 TYR 76 2HE TYR 76 -9.690 -12.398 -11.957 658 HH TYR 76 HH TYR 76 -9.364 -13.019 -15.080 659 H ARG 77 HN ARG 77 -15.696 -11.931 -9.502 660 HA ARG 77 HA ARG 77 -14.584 -14.308 -8.572 661 HB2 ARG 77 1HB ARG 77 -15.489 -13.765 -6.450 662 HB3 ARG 77 2HB ARG 77 -15.146 -12.230 -7.235 663 HG2 ARG 77 1HG ARG 77 -17.485 -11.957 -7.795 664 HG3 ARG 77 2HG ARG 77 -17.855 -13.536 -7.099 665 HD2 ARG 77 1HD ARG 77 -18.434 -12.075 -5.394 666 HD3 ARG 77 2HD ARG 77 -16.803 -12.573 -4.946 667 HE ARG 77 HE ARG 77 -16.386 -10.328 -6.393 668 HH11 ARG 77 1HH1 ARG 77 -18.431 -11.077 -3.677 669 HH12 ARG 77 2HH1 ARG 77 -18.375 -9.472 -3.026 670 HH21 ARG 77 1HH2 ARG 77 -16.305 -8.211 -5.546 671 HH22 ARG 77 2HH2 ARG 77 -17.166 -7.843 -4.091 672 H LYS 78 HN LYS 78 -17.870 -13.567 -9.577 673 HA LYS 78 HA LYS 78 -18.912 -16.115 -8.720 674 HB2 LYS 78 1HB LYS 78 -20.060 -13.827 -10.309 675 HB3 LYS 78 2HB LYS 78 -20.943 -15.328 -10.063 676 HG2 LYS 78 1HG LYS 78 -19.879 -13.666 -7.796 677 HG3 LYS 78 2HG LYS 78 -21.491 -13.451 -8.482 678 HD2 LYS 78 1HD LYS 78 -20.537 -16.128 -7.512 679 HD3 LYS 78 2HD LYS 78 -21.257 -14.949 -6.413 680 HE2 LYS 78 1HE LYS 78 -23.295 -15.532 -7.072 681 HE3 LYS 78 2HE LYS 78 -22.886 -15.171 -8.749 682 HZ1 LYS 78 3HZ LYS 78 -21.691 -17.601 -8.098 683 HZ2 LYS 78 1HZ LYS 78 -22.970 -17.327 -9.171 684 HZ3 LYS 78 2HZ LYS 78 -23.289 -17.679 -7.548 685 H MET 79 HN MET 79 -17.471 -14.793 -11.572 686 HA MET 79 HA MET 79 -18.500 -16.595 -13.482 687 HB2 MET 79 1HB MET 79 -16.559 -14.494 -13.401 688 HB3 MET 79 2HB MET 79 -15.852 -15.885 -14.212 689 HG2 MET 79 1HG MET 79 -18.415 -15.653 -15.274 690 HG3 MET 79 2HG MET 79 -17.809 -14.003 -15.159 691 HE1 MET 79 3HE MET 79 -15.124 -13.483 -17.282 692 HE2 MET 79 1HE MET 79 -15.419 -13.545 -15.544 693 HE3 MET 79 2HE MET 79 -14.280 -14.669 -16.286 694 H GLN 80 HN GLN 80 -15.356 -16.607 -11.794 695 HA GLN 80 HA GLN 80 -15.418 -19.506 -11.695 696 HB2 GLN 80 1HB GLN 80 -13.412 -19.893 -12.881 697 HB3 GLN 80 2HB GLN 80 -14.362 -18.823 -13.903 698 HG2 GLN 80 1HG GLN 80 -12.120 -17.960 -12.089 699 HG3 GLN 80 2HG GLN 80 -11.995 -18.200 -13.831 700 HE21 GLN 80 1HE2 GLN 80 -12.607 -16.003 -11.392 701 HE22 GLN 80 2HE2 GLN 80 -13.268 -14.724 -12.347 702 H ILE 81 HN ILE 81 -15.229 -16.952 -9.984 703 HA ILE 81 HA ILE 81 -14.134 -16.201 -8.120 704 HB ILE 81 HB ILE 81 -13.304 -18.913 -7.320 705 HG12 ILE 81 1HG1 ILE 81 -16.197 -18.249 -7.900 706 HG13 ILE 81 2HG1 ILE 81 -15.235 -19.507 -8.668 707 HG21 ILE 81 1HG2 ILE 81 -13.958 -18.227 -5.245 708 HG22 ILE 81 2HG2 ILE 81 -13.650 -16.657 -5.985 709 HG23 ILE 81 3HG2 ILE 81 -15.300 -17.266 -5.864 710 HD11 ILE 81 3HD1 ILE 81 -16.157 -20.868 -7.173 711 HD12 ILE 81 1HD1 ILE 81 -15.035 -20.149 -6.019 712 HD13 ILE 81 2HD1 ILE 81 -16.683 -19.534 -6.147 713 H GLN 82 HN GLN 82 -12.375 -15.176 -9.153 714 HA GLN 82 HA GLN 82 -9.924 -16.664 -9.573 715 HB2 GLN 82 1HB GLN 82 -10.956 -14.542 -10.862 716 HB3 GLN 82 2HB GLN 82 -9.926 -13.701 -9.712 717 HG2 GLN 82 1HG GLN 82 -8.940 -14.252 -11.986 718 HG3 GLN 82 2HG GLN 82 -7.982 -14.662 -10.565 719 HE21 GLN 82 1HE2 GLN 82 -10.757 -16.355 -11.934 720 HE22 GLN 82 2HE2 GLN 82 -9.917 -17.824 -12.283 721 H CYS 83 HN CYS 83 -7.885 -15.219 -8.819 722 HA CYS 83 HA CYS 83 -7.839 -15.500 -5.981 723 HB2 CYS 83 1HB CYS 83 -5.866 -14.622 -8.058 724 HB3 CYS 83 2HB CYS 83 -5.516 -14.341 -6.357 725 HG CYS 83 HG CYS 83 -4.325 -16.612 -6.199 726 H ALA 84 HN ALA 84 -9.722 -13.933 -5.778 727 HA ALA 84 HA ALA 84 -9.692 -11.248 -6.211 728 HB1 ALA 84 1HB ALA 84 -10.844 -11.213 -3.810 729 HB2 ALA 84 2HB ALA 84 -11.648 -11.864 -5.239 730 HB3 ALA 84 3HB ALA 84 -10.865 -12.953 -4.094 731 HA PRO 85 HA PRO 85 -5.937 -10.151 -3.979 732 HB2 PRO 85 1HB PRO 85 -5.795 -7.641 -5.003 733 HB3 PRO 85 2HB PRO 85 -5.258 -9.072 -5.890 734 HG2 PRO 85 1HG PRO 85 -7.834 -7.563 -6.111 735 HG3 PRO 85 2HG PRO 85 -6.806 -8.217 -7.400 736 HD2 PRO 85 1HD PRO 85 -9.053 -9.468 -6.552 737 HD3 PRO 85 2HD PRO 85 -7.634 -10.353 -7.149 738 H ASP 86 HN ASP 86 -9.112 -9.078 -3.695 739 HA ASP 86 HA ASP 86 -10.250 -7.963 -2.070 740 HB2 ASP 86 1HB ASP 86 -8.650 -9.383 -0.640 741 HB3 ASP 86 2HB ASP 86 -7.725 -7.899 -0.432 742 H LEU 87 HN LEU 87 -9.954 -6.253 -3.838 743 HA LEU 87 HA LEU 87 -8.196 -4.190 -3.860 744 HB2 LEU 87 1HB LEU 87 -11.190 -4.012 -4.158 745 HB3 LEU 87 2HB LEU 87 -10.060 -2.744 -4.628 746 HG LEU 87 HG LEU 87 -10.181 -5.508 -5.832 747 HD11 LEU 87 1HD1 LEU 87 -11.673 -3.085 -6.361 748 HD12 LEU 87 2HD1 LEU 87 -11.900 -4.714 -6.996 749 HD13 LEU 87 3HD1 LEU 87 -10.757 -3.618 -7.771 750 HD21 LEU 87 3HD2 LEU 87 -8.622 -3.082 -6.711 751 HD22 LEU 87 1HD2 LEU 87 -8.598 -4.686 -7.443 752 HD23 LEU 87 2HD2 LEU 87 -7.938 -4.445 -5.825 753 H ALA 88 HN ALA 88 -11.328 -3.665 -2.267 754 HA ALA 88 HA ALA 88 -10.389 -3.052 0.282 755 HB1 ALA 88 1HB ALA 88 -9.553 -1.112 -1.495 756 HB2 ALA 88 2HB ALA 88 -10.989 -0.405 -0.752 757 HB3 ALA 88 3HB ALA 88 -9.650 -0.949 0.259 758 H THR 89 HN THR 89 -12.650 -4.221 -1.088 759 HA THR 89 HA THR 89 -14.880 -4.470 -0.648 760 HB THR 89 HB THR 89 -14.927 -1.956 0.991 761 HG1 THR 89 1HG THR 89 -14.020 -4.496 1.916 762 HG21 THR 89 3HG2 THR 89 -16.212 -4.424 1.927 763 HG22 THR 89 1HG2 THR 89 -16.840 -3.805 0.400 764 HG23 THR 89 2HG2 THR 89 -16.846 -2.781 1.836 765 H ARG 90 HN ARG 90 -14.241 -0.956 -0.746 766 HA ARG 90 HA ARG 90 -15.310 -0.589 -3.327 767 HB2 ARG 90 1HB ARG 90 -17.222 -0.600 -1.115 768 HB3 ARG 90 2HB ARG 90 -17.269 0.884 -2.057 769 HG2 ARG 90 1HG ARG 90 -18.429 -0.124 -3.645 770 HG3 ARG 90 2HG ARG 90 -17.163 -1.339 -3.839 771 HD2 ARG 90 1HD ARG 90 -18.346 -2.189 -1.555 772 HD3 ARG 90 2HD ARG 90 -19.723 -1.477 -2.395 773 HE ARG 90 HE ARG 90 -18.514 -3.039 -4.276 774 HH11 ARG 90 1HH1 ARG 90 -19.774 -3.577 -1.076 775 HH12 ARG 90 2HH1 ARG 90 -20.208 -5.226 -1.382 776 HH21 ARG 90 1HH2 ARG 90 -19.080 -5.209 -4.692 777 HH22 ARG 90 2HH2 ARG 90 -19.812 -6.153 -3.439 778 H SER 91 HN SER 91 -13.119 0.242 -1.555 779 HA SER 91 HA SER 91 -12.745 2.850 -2.431 780 HB2 SER 91 1HB SER 91 -14.304 3.835 -1.044 781 HB3 SER 91 2HB SER 91 -14.109 2.616 0.216 782 HG SER 91 HG SER 91 -12.284 3.611 0.909 783 H HIS 92 HN HIS 92 -10.626 2.560 -2.708 784 HA HIS 92 HA HIS 92 -9.041 1.297 -0.604 785 HB2 HIS 92 1HB HIS 92 -8.877 0.700 -3.104 786 HB3 HIS 92 2HB HIS 92 -8.000 2.217 -3.276 787 HD1 HIS 92 1HD HIS 92 -7.714 -0.589 -0.711 788 HD2 HIS 92 2HD HIS 92 -5.382 1.582 -3.378 789 HE1 HIS 92 1HE HIS 92 -5.366 -1.428 -0.388 790 H SER 93 HN SER 93 -9.610 4.385 -2.084 791 HA SER 93 HA SER 93 -7.873 5.633 -0.098 792 HB2 SER 93 1HB SER 93 -6.380 5.515 -1.966 793 HB3 SER 93 2HB SER 93 -7.633 6.065 -3.080 794 HG SER 93 HG SER 93 -6.178 7.526 -1.170 795 H GLY 94 HN GLY 94 -9.958 6.161 0.811 796 HA2 GLY 94 2HA GLY 94 -10.979 8.425 1.080 797 HA3 GLY 94 3HA GLY 94 -11.309 8.351 -0.644 798 H SER 95 HN SER 95 -12.303 7.351 2.511 799 HA SER 95 HA SER 95 -14.729 6.169 1.329 800 HB2 SER 95 1HB SER 95 -14.571 4.986 3.801 801 HB3 SER 95 2HB SER 95 -14.050 4.240 2.291 802 HG SER 95 HG SER 95 -11.952 5.015 2.707 803 H ASP 96 HN ASP 96 -13.673 8.801 2.780 804 HA ASP 96 HA ASP 96 -14.540 10.416 4.134 805 HB2 ASP 96 1HB ASP 96 -16.704 9.307 2.573 806 HB3 ASP 96 2HB ASP 96 -17.297 9.885 4.127 807 H PHE 97 HN PHE 97 -13.935 7.719 5.284 808 HA PHE 97 HA PHE 97 -14.028 6.686 7.308 809 HB2 PHE 97 1HB PHE 97 -13.727 9.087 8.062 810 HB3 PHE 97 2HB PHE 97 -15.469 9.143 8.309 811 HD1 PHE 97 2HD PHE 97 -12.979 6.475 9.050 812 HD2 PHE 97 1HD PHE 97 -15.832 9.237 10.582 813 HE1 PHE 97 2HE PHE 97 -12.687 5.524 11.300 814 HE2 PHE 97 1HE PHE 97 -15.544 8.292 12.835 815 HZ PHE 97 HZ PHE 97 -13.970 6.432 13.196 816 H SER 98 HN SER 98 -16.345 6.658 5.361 817 HA SER 98 HA SER 98 -18.409 5.720 7.246 818 HB2 SER 98 1HB SER 98 -18.797 7.742 5.545 819 HB3 SER 98 2HB SER 98 -19.153 6.410 4.445 820 HG SER 98 HG SER 98 -20.425 7.046 6.892 821 H PHE 99 HN PHE 99 -20.032 4.334 5.574 822 HA PHE 99 HA PHE 99 -20.333 2.297 4.609 823 HB2 PHE 99 1HB PHE 99 -18.813 3.522 2.870 824 HB3 PHE 99 2HB PHE 99 -17.572 2.412 3.443 825 HD1 PHE 99 2HD PHE 99 -20.901 2.606 1.857 826 HD2 PHE 99 1HD PHE 99 -17.536 0.161 2.758 827 HE1 PHE 99 2HE PHE 99 -21.763 0.868 0.344 828 HE2 PHE 99 1HE PHE 99 -18.392 -1.581 1.246 829 HZ PHE 99 HZ PHE 99 -20.509 -1.229 0.037 830 H ARG 100 HN ARG 100 -20.083 1.650 6.948 831 HA ARG 100 HA ARG 100 -17.803 0.613 8.089 832 HB2 ARG 100 1HB ARG 100 -20.703 0.175 8.427 833 HB3 ARG 100 2HB ARG 100 -19.673 -1.114 9.034 834 HG2 ARG 100 1HG ARG 100 -18.682 0.245 10.621 835 HG3 ARG 100 2HG ARG 100 -19.112 1.727 9.765 836 HD2 ARG 100 1HD ARG 100 -21.441 0.168 10.529 837 HD3 ARG 100 2HD ARG 100 -20.453 0.620 11.917 838 HE ARG 100 HE ARG 100 -20.700 2.925 10.478 839 HH11 ARG 100 1HH1 ARG 100 -22.930 0.635 11.858 840 HH12 ARG 100 2HH1 ARG 100 -24.172 1.811 12.131 841 HH21 ARG 100 1HH2 ARG 100 -22.328 4.483 10.833 842 HH22 ARG 100 2HH2 ARG 100 -23.829 4.000 11.547 843 HA PRO 101 HA PRO 101 -16.701 -3.085 6.002 844 HB2 PRO 101 1HB PRO 101 -16.007 -4.731 8.047 845 HB3 PRO 101 2HB PRO 101 -15.024 -3.348 7.550 846 HG2 PRO 101 1HG PRO 101 -16.969 -3.573 9.814 847 HG3 PRO 101 2HG PRO 101 -15.363 -2.820 9.789 848 HD2 PRO 101 1HD PRO 101 -17.650 -1.381 9.607 849 HD3 PRO 101 2HD PRO 101 -16.146 -0.889 8.802 850 H ILE 102 HN ILE 102 -18.666 -3.752 5.089 851 HA ILE 102 HA ILE 102 -19.879 -6.052 6.427 852 HB ILE 102 HB ILE 102 -21.678 -4.087 5.055 853 HG12 ILE 102 1HG1 ILE 102 -20.556 -3.929 7.828 854 HG13 ILE 102 2HG1 ILE 102 -20.856 -2.635 6.673 855 HG21 ILE 102 1HG2 ILE 102 -23.407 -5.220 6.127 856 HG22 ILE 102 2HG2 ILE 102 -22.281 -6.504 5.692 857 HG23 ILE 102 3HG2 ILE 102 -22.332 -5.902 7.348 858 HD11 ILE 102 3HD1 ILE 102 -23.345 -3.213 7.039 859 HD12 ILE 102 1HD1 ILE 102 -22.769 -4.018 8.498 860 HD13 ILE 102 2HD1 ILE 102 -22.482 -2.293 8.271 861 H GLU 103 HN GLU 103 -18.028 -5.839 4.233 862 HA GLU 103 HA GLU 103 -19.102 -5.960 1.699 863 HB2 GLU 103 1HB GLU 103 -16.629 -6.254 2.639 864 HB3 GLU 103 2HB GLU 103 -17.004 -7.955 2.400 865 HG2 GLU 103 1HG GLU 103 -17.497 -7.536 0.057 866 HG3 GLU 103 2HG GLU 103 -17.167 -5.819 0.286 867 H GLU 104 HN GLU 104 -19.205 -8.353 4.242 868 HA GLU 104 HA GLU 104 -20.035 -10.541 2.635 869 HB2 GLU 104 1HB GLU 104 -19.099 -10.484 5.076 870 HB3 GLU 104 2HB GLU 104 -20.787 -10.283 5.524 871 HG2 GLU 104 1HG GLU 104 -21.227 -12.364 4.114 872 HG3 GLU 104 2HG GLU 104 -19.481 -12.605 4.154 873 H ALA 105 HN ALA 105 -21.679 -9.667 1.299 874 HA ALA 105 HA ALA 105 -24.310 -10.018 2.345 875 HB1 ALA 105 1HB ALA 105 -25.044 -7.661 1.647 876 HB2 ALA 105 2HB ALA 105 -24.217 -7.847 3.193 877 HB3 ALA 105 3HB ALA 105 -23.339 -7.236 1.791 Start of MODEL 18 1 H1 GLY -5 HN GLY -5 0.426 -0.247 -0.257 2 HA2 GLY -5 2HA GLY -5 2.404 -0.401 -1.528 3 HA3 GLY -5 3HA GLY -5 1.226 0.116 -2.726 4 H SER -4 HN SER -4 2.567 1.312 -4.005 5 HA SER -4 HA SER -4 4.142 3.445 -2.767 6 HB2 SER -4 1HB SER -4 4.142 2.893 -5.713 7 HB3 SER -4 2HB SER -4 5.449 3.485 -4.688 8 HG SER -4 HG SER -4 5.592 1.229 -5.411 9 H HIS -3 HN HIS -3 1.198 3.518 -2.984 10 HA HIS -3 HA HIS -3 -0.442 5.030 -3.431 11 HB2 HIS -3 1HB HIS -3 1.848 6.881 -4.125 12 HB3 HIS -3 2HB HIS -3 0.196 7.362 -3.749 13 HD1 HIS -3 1HD HIS -3 -0.323 5.769 -1.212 14 HD2 HIS -3 2HD HIS -3 3.240 7.766 -1.974 15 HE1 HIS -3 1HE HIS -3 0.713 6.180 1.043 16 H MET -2 HN MET -2 -0.033 3.238 -5.421 17 HA MET -2 HA MET -2 -0.767 4.800 -7.772 18 HB2 MET -2 1HB MET -2 1.201 2.547 -8.078 19 HB3 MET -2 2HB MET -2 0.779 3.801 -9.237 20 HG2 MET -2 1HG MET -2 1.794 5.425 -7.517 21 HG3 MET -2 2HG MET -2 2.528 3.983 -6.820 22 HE1 MET -2 3HE MET -2 3.086 2.523 -10.225 23 HE2 MET -2 1HE MET -2 4.703 2.558 -9.520 24 HE3 MET -2 2HE MET -2 3.310 2.167 -8.511 25 H ALA -1 HN ALA -1 -2.866 3.986 -7.266 26 HA ALA -1 HA ALA -1 -3.220 1.114 -7.815 27 HB1 ALA -1 1HB ALA -1 -4.153 2.624 -5.684 28 HB2 ALA -1 2HB ALA -1 -5.559 2.425 -6.730 29 HB3 ALA -1 3HB ALA -1 -4.687 1.008 -6.146 30 H SER 1 HN SER 1 -3.754 4.247 -9.013 31 HA SER 1 HA SER 1 -6.136 4.094 -10.389 32 HB2 SER 1 1HB SER 1 -3.671 5.648 -10.616 33 HB3 SER 1 2HB SER 1 -4.479 5.421 -12.166 34 HG SER 1 HG SER 1 -5.970 6.758 -11.546 35 H ALA 2 HN ALA 2 -2.922 3.120 -11.579 36 HA ALA 2 HA ALA 2 -3.840 2.095 -14.044 37 HB1 ALA 2 1HB ALA 2 -1.369 2.506 -12.831 38 HB2 ALA 2 2HB ALA 2 -1.454 0.766 -13.109 39 HB3 ALA 2 3HB ALA 2 -1.666 1.886 -14.455 40 H ASP 3 HN ASP 3 -3.882 0.826 -10.849 41 HA ASP 3 HA ASP 3 -4.035 -1.942 -11.601 42 HB2 ASP 3 1HB ASP 3 -3.336 -0.806 -9.310 43 HB3 ASP 3 2HB ASP 3 -5.056 -0.972 -8.968 44 H LEU 4 HN LEU 4 -6.350 0.552 -10.615 45 HA LEU 4 HA LEU 4 -8.624 -1.151 -10.697 46 HB2 LEU 4 1HB LEU 4 -8.497 0.977 -9.432 47 HB3 LEU 4 2HB LEU 4 -8.508 1.850 -10.963 48 HG LEU 4 HG LEU 4 -10.762 0.002 -10.295 49 HD11 LEU 4 1HD1 LEU 4 -11.820 1.461 -8.897 50 HD12 LEU 4 2HD1 LEU 4 -10.961 2.866 -9.526 51 HD13 LEU 4 3HD1 LEU 4 -10.147 1.756 -8.423 52 HD21 LEU 4 3HD2 LEU 4 -10.311 2.392 -12.042 53 HD22 LEU 4 1HD2 LEU 4 -11.941 1.921 -11.558 54 HD23 LEU 4 2HD2 LEU 4 -10.933 0.797 -12.470 55 H VAL 5 HN VAL 5 -7.150 1.080 -13.011 56 HA VAL 5 HA VAL 5 -9.170 0.837 -14.989 57 HB VAL 5 HB VAL 5 -6.273 1.649 -15.267 58 HG11 VAL 5 1HG1 VAL 5 -8.549 1.625 -17.214 59 HG12 VAL 5 2HG1 VAL 5 -7.242 2.801 -17.364 60 HG13 VAL 5 3HG1 VAL 5 -6.889 1.074 -17.434 61 HG21 VAL 5 3HG2 VAL 5 -8.744 3.374 -15.161 62 HG22 VAL 5 1HG2 VAL 5 -7.698 3.054 -13.777 63 HG23 VAL 5 2HG2 VAL 5 -7.064 3.910 -15.182 64 H SER 6 HN SER 6 -5.947 -0.649 -14.681 65 HA SER 6 HA SER 6 -6.108 -2.243 -16.985 66 HB2 SER 6 1HB SER 6 -4.527 -2.632 -14.435 67 HB3 SER 6 2HB SER 6 -4.302 -3.599 -15.892 68 HG SER 6 HG SER 6 -2.922 -1.634 -15.534 69 H SER 7 HN SER 7 -7.120 -2.821 -13.661 70 HA SER 7 HA SER 7 -7.778 -5.570 -14.056 71 HB2 SER 7 1HB SER 7 -8.811 -5.443 -11.854 72 HB3 SER 7 2HB SER 7 -7.261 -4.602 -11.827 73 HG SER 7 HG SER 7 -9.085 -3.478 -10.825 74 H CYS 8 HN CYS 8 -9.763 -2.628 -13.732 75 HA CYS 8 HA CYS 8 -12.238 -3.846 -14.203 76 HB2 CYS 8 1HB CYS 8 -11.248 -1.025 -14.548 77 HB3 CYS 8 2HB CYS 8 -12.901 -1.469 -14.954 78 HG CYS 8 HG CYS 8 -12.402 -2.668 -12.000 79 H LYS 9 HN LYS 9 -9.876 -2.452 -16.424 80 HA LYS 9 HA LYS 9 -11.472 -2.654 -18.755 81 HB2 LYS 9 1HB LYS 9 -9.618 -1.179 -18.841 82 HB3 LYS 9 2HB LYS 9 -8.501 -2.427 -18.306 83 HG2 LYS 9 1HG LYS 9 -9.832 -3.186 -20.754 84 HG3 LYS 9 2HG LYS 9 -9.001 -1.637 -20.917 85 HD2 LYS 9 1HD LYS 9 -6.996 -2.619 -20.912 86 HD3 LYS 9 2HD LYS 9 -7.394 -3.580 -19.486 87 HE2 LYS 9 1HE LYS 9 -7.045 -5.205 -21.094 88 HE3 LYS 9 2HE LYS 9 -8.795 -4.997 -21.146 89 HZ1 LYS 9 3HZ LYS 9 -7.900 -5.051 -23.366 90 HZ2 LYS 9 1HZ LYS 9 -6.830 -3.788 -23.015 91 HZ3 LYS 9 2HZ LYS 9 -8.496 -3.501 -23.045 92 H ASP 10 HN ASP 10 -8.807 -4.699 -17.559 93 HA ASP 10 HA ASP 10 -8.838 -6.648 -19.507 94 HB2 ASP 10 1HB ASP 10 -7.117 -6.629 -17.821 95 HB3 ASP 10 2HB ASP 10 -8.298 -6.915 -16.545 96 H LYS 11 HN LYS 11 -10.782 -6.515 -16.537 97 HA LYS 11 HA LYS 11 -12.163 -8.949 -17.041 98 HB2 LYS 11 1HB LYS 11 -12.342 -6.735 -15.089 99 HB3 LYS 11 2HB LYS 11 -13.834 -7.623 -15.372 100 HG2 LYS 11 1HG LYS 11 -12.975 -8.849 -13.663 101 HG3 LYS 11 2HG LYS 11 -12.253 -9.706 -15.028 102 HD2 LYS 11 1HD LYS 11 -10.392 -9.407 -13.737 103 HD3 LYS 11 2HD LYS 11 -10.340 -7.913 -14.676 104 HE2 LYS 11 1HE LYS 11 -11.103 -6.625 -12.904 105 HE3 LYS 11 2HE LYS 11 -11.813 -8.009 -12.074 106 HZ1 LYS 11 3HZ LYS 11 -8.890 -7.697 -12.438 107 HZ2 LYS 11 1HZ LYS 11 -9.703 -8.753 -11.396 108 HZ3 LYS 11 2HZ LYS 11 -9.709 -7.090 -11.088 109 H LEU 12 HN LEU 12 -13.147 -5.536 -17.339 110 HA LEU 12 HA LEU 12 -15.696 -5.896 -18.326 111 HB2 LEU 12 1HB LEU 12 -14.698 -3.729 -17.699 112 HB3 LEU 12 2HB LEU 12 -13.729 -3.772 -19.170 113 HG LEU 12 HG LEU 12 -16.392 -4.062 -20.002 114 HD11 LEU 12 1HD1 LEU 12 -17.523 -3.215 -18.236 115 HD12 LEU 12 2HD1 LEU 12 -17.054 -1.685 -18.978 116 HD13 LEU 12 3HD1 LEU 12 -16.127 -2.328 -17.623 117 HD21 LEU 12 3HD2 LEU 12 -14.858 -1.483 -20.015 118 HD22 LEU 12 1HD2 LEU 12 -15.960 -2.123 -21.234 119 HD23 LEU 12 2HD2 LEU 12 -14.371 -2.855 -21.010 120 H ALA 13 HN ALA 13 -12.636 -5.866 -20.105 121 HA ALA 13 HA ALA 13 -13.808 -6.132 -22.679 122 HB1 ALA 13 1HB ALA 13 -11.619 -5.255 -22.592 123 HB2 ALA 13 2HB ALA 13 -11.027 -6.621 -21.646 124 HB3 ALA 13 3HB ALA 13 -11.471 -6.847 -23.337 125 H TYR 14 HN TYR 14 -12.431 -8.455 -20.381 126 HA TYR 14 HA TYR 14 -12.792 -10.720 -22.064 127 HB2 TYR 14 1HB TYR 14 -11.167 -10.635 -20.183 128 HB3 TYR 14 2HB TYR 14 -12.515 -10.637 -19.052 129 HD1 TYR 14 1HD TYR 14 -12.214 -12.631 -22.168 130 HD2 TYR 14 2HD TYR 14 -12.171 -12.666 -17.913 131 HE1 TYR 14 1HE TYR 14 -12.225 -15.091 -22.194 132 HE2 TYR 14 2HE TYR 14 -12.181 -15.125 -17.928 133 HH TYR 14 HH TYR 14 -12.444 -16.958 -19.200 134 H PHE 15 HN PHE 15 -14.937 -8.844 -20.238 135 HA PHE 15 HA PHE 15 -16.884 -11.024 -19.997 136 HB2 PHE 15 1HB PHE 15 -16.532 -8.382 -18.656 137 HB3 PHE 15 2HB PHE 15 -18.164 -9.026 -18.803 138 HD1 PHE 15 2HD PHE 15 -18.231 -11.676 -18.191 139 HD2 PHE 15 1HD PHE 15 -15.482 -8.802 -16.674 140 HE1 PHE 15 2HE PHE 15 -17.851 -13.088 -16.213 141 HE2 PHE 15 1HE PHE 15 -15.096 -10.211 -14.694 142 HZ PHE 15 HZ PHE 15 -16.282 -12.356 -14.461 143 H ARG 16 HN ARG 16 -18.743 -11.079 -21.145 144 HA ARG 16 HA ARG 16 -18.957 -9.792 -23.587 145 HB2 ARG 16 1HB ARG 16 -21.321 -10.775 -21.991 146 HB3 ARG 16 2HB ARG 16 -21.166 -10.686 -23.740 147 HG2 ARG 16 1HG ARG 16 -19.072 -12.303 -23.066 148 HG3 ARG 16 2HG ARG 16 -20.296 -12.757 -21.879 149 HD2 ARG 16 1HD ARG 16 -21.863 -12.779 -23.990 150 HD3 ARG 16 2HD ARG 16 -20.339 -13.000 -24.849 151 HE ARG 16 HE ARG 16 -20.459 -14.827 -22.723 152 HH11 ARG 16 1HH1 ARG 16 -21.973 -14.187 -25.793 153 HH12 ARG 16 2HH1 ARG 16 -22.357 -15.849 -26.097 154 HH21 ARG 16 1HH2 ARG 16 -20.959 -17.018 -23.112 155 HH22 ARG 16 2HH2 ARG 16 -21.780 -17.458 -24.571 156 H ILE 17 HN ILE 17 -21.070 -8.497 -24.164 157 HA ILE 17 HA ILE 17 -20.786 -5.913 -23.236 158 HB ILE 17 HB ILE 17 -23.374 -7.065 -24.276 159 HG12 ILE 17 1HG1 ILE 17 -20.804 -6.387 -25.643 160 HG13 ILE 17 2HG1 ILE 17 -21.922 -7.710 -25.956 161 HG21 ILE 17 1HG2 ILE 17 -23.863 -4.847 -25.013 162 HG22 ILE 17 2HG2 ILE 17 -23.405 -4.761 -23.312 163 HG23 ILE 17 3HG2 ILE 17 -22.254 -4.284 -24.560 164 HD11 ILE 17 3HD1 ILE 17 -23.517 -6.017 -26.876 165 HD12 ILE 17 1HD1 ILE 17 -22.221 -4.828 -26.746 166 HD13 ILE 17 2HD1 ILE 17 -22.029 -6.229 -27.799 167 H LYS 18 HN LYS 18 -22.500 -8.553 -21.811 168 HA LYS 18 HA LYS 18 -24.443 -7.403 -20.279 169 HB2 LYS 18 1HB LYS 18 -22.970 -9.832 -20.242 170 HB3 LYS 18 2HB LYS 18 -23.011 -9.217 -18.594 171 HG2 LYS 18 1HG LYS 18 -24.885 -10.610 -18.794 172 HG3 LYS 18 2HG LYS 18 -25.513 -8.963 -18.900 173 HD2 LYS 18 1HD LYS 18 -24.828 -9.839 -21.522 174 HD3 LYS 18 2HD LYS 18 -25.809 -11.090 -20.754 175 HE2 LYS 18 1HE LYS 18 -27.323 -9.096 -20.054 176 HE3 LYS 18 2HE LYS 18 -26.495 -8.239 -21.353 177 HZ1 LYS 18 3HZ LYS 18 -27.256 -9.832 -22.926 178 HZ2 LYS 18 1HZ LYS 18 -28.600 -9.338 -22.025 179 HZ3 LYS 18 2HZ LYS 18 -27.879 -10.837 -21.717 180 H GLU 19 HN GLU 19 -21.002 -7.673 -19.399 181 HA GLU 19 HA GLU 19 -21.145 -6.380 -16.935 182 HB2 GLU 19 1HB GLU 19 -19.089 -7.287 -18.716 183 HB3 GLU 19 2HB GLU 19 -18.670 -5.686 -18.122 184 HG2 GLU 19 1HG GLU 19 -19.454 -7.974 -16.337 185 HG3 GLU 19 2HG GLU 19 -17.789 -7.586 -16.767 186 H LEU 20 HN LEU 20 -20.223 -4.990 -20.088 187 HA LEU 20 HA LEU 20 -19.950 -2.351 -19.288 188 HB2 LEU 20 1HB LEU 20 -20.607 -3.693 -21.859 189 HB3 LEU 20 2HB LEU 20 -20.809 -1.945 -21.755 190 HG LEU 20 HG LEU 20 -18.307 -2.163 -20.803 191 HD11 LEU 20 1HD1 LEU 20 -18.712 -4.503 -22.650 192 HD12 LEU 20 2HD1 LEU 20 -18.063 -4.511 -21.010 193 HD13 LEU 20 3HD1 LEU 20 -17.134 -3.787 -22.323 194 HD21 LEU 20 3HD2 LEU 20 -19.570 -1.325 -23.185 195 HD22 LEU 20 1HD2 LEU 20 -18.110 -2.200 -23.647 196 HD23 LEU 20 2HD2 LEU 20 -18.003 -0.826 -22.545 197 H LYS 21 HN LYS 21 -22.843 -3.905 -20.674 198 HA LYS 21 HA LYS 21 -24.602 -1.813 -20.637 199 HB2 LYS 21 1HB LYS 21 -24.779 -4.636 -20.817 200 HB3 LYS 21 2HB LYS 21 -25.975 -4.122 -19.634 201 HG2 LYS 21 1HG LYS 21 -25.723 -3.059 -22.441 202 HG3 LYS 21 2HG LYS 21 -26.906 -4.248 -21.890 203 HD2 LYS 21 1HD LYS 21 -27.294 -2.250 -20.093 204 HD3 LYS 21 2HD LYS 21 -26.844 -1.330 -21.530 205 HE2 LYS 21 1HE LYS 21 -28.593 -3.150 -22.558 206 HE3 LYS 21 2HE LYS 21 -29.270 -2.874 -20.954 207 HZ1 LYS 21 3HZ LYS 21 -28.724 -0.374 -21.776 208 HZ2 LYS 21 1HZ LYS 21 -30.234 -1.123 -21.925 209 HZ3 LYS 21 2HZ LYS 21 -29.163 -1.110 -23.235 210 H ASP 22 HN ASP 22 -23.790 -3.947 -17.922 211 HA ASP 22 HA ASP 22 -25.572 -2.889 -16.049 212 HB2 ASP 22 1HB ASP 22 -23.076 -4.480 -15.942 213 HB3 ASP 22 2HB ASP 22 -23.519 -3.634 -14.463 214 H ILE 23 HN ILE 23 -22.258 -1.935 -16.856 215 HA ILE 23 HA ILE 23 -21.867 -0.022 -14.871 216 HB ILE 23 HB ILE 23 -20.821 0.093 -17.702 217 HG12 ILE 23 1HG1 ILE 23 -20.230 -2.038 -16.778 218 HG13 ILE 23 2HG1 ILE 23 -18.802 -1.014 -16.682 219 HG21 ILE 23 1HG2 ILE 23 -20.415 1.742 -15.341 220 HG22 ILE 23 2HG2 ILE 23 -18.908 1.115 -16.007 221 HG23 ILE 23 3HG2 ILE 23 -19.998 2.054 -17.026 222 HD11 ILE 23 3HD1 ILE 23 -20.357 -2.271 -14.566 223 HD12 ILE 23 1HD1 ILE 23 -18.684 -1.714 -14.573 224 HD13 ILE 23 2HD1 ILE 23 -19.993 -0.572 -14.266 225 H LEU 24 HN LEU 24 -23.058 0.463 -18.197 226 HA LEU 24 HA LEU 24 -23.577 3.212 -17.931 227 HB2 LEU 24 1HB LEU 24 -24.972 1.239 -19.733 228 HB3 LEU 24 2HB LEU 24 -24.911 2.989 -19.941 229 HG LEU 24 HG LEU 24 -23.260 2.534 -21.384 230 HD11 LEU 24 1HD1 LEU 24 -21.545 1.820 -19.032 231 HD12 LEU 24 2HD1 LEU 24 -22.165 3.455 -19.258 232 HD13 LEU 24 3HD1 LEU 24 -21.120 2.732 -20.481 233 HD21 LEU 24 3HD2 LEU 24 -23.599 -0.104 -20.301 234 HD22 LEU 24 1HD2 LEU 24 -21.890 0.227 -20.582 235 HD23 LEU 24 2HD2 LEU 24 -23.048 0.386 -21.903 236 H ASN 25 HN ASN 25 -25.762 0.413 -17.665 237 HA ASN 25 HA ASN 25 -28.145 1.668 -17.190 238 HB2 ASN 25 1HB ASN 25 -28.782 -0.457 -16.911 239 HB3 ASN 25 2HB ASN 25 -27.092 -0.944 -16.817 240 HD21 ASN 25 1HD2 ASN 25 -26.223 -1.482 -14.882 241 HD22 ASN 25 2HD2 ASN 25 -27.120 -1.546 -13.407 242 H GLN 26 HN GLN 26 -25.457 1.246 -14.974 243 HA GLN 26 HA GLN 26 -26.890 2.203 -12.679 244 HB2 GLN 26 1HB GLN 26 -23.987 1.636 -13.238 245 HB3 GLN 26 2HB GLN 26 -24.510 2.363 -11.725 246 HG2 GLN 26 1HG GLN 26 -25.770 0.450 -11.135 247 HG3 GLN 26 2HG GLN 26 -25.602 -0.240 -12.749 248 HE21 GLN 26 1HE2 GLN 26 -22.992 -0.024 -13.288 249 HE22 GLN 26 2HE2 GLN 26 -22.048 -0.921 -12.154 250 H LEU 27 HN LEU 27 -24.716 3.590 -15.074 251 HA LEU 27 HA LEU 27 -24.587 6.144 -13.740 252 HB2 LEU 27 1HB LEU 27 -22.880 6.553 -15.109 253 HB3 LEU 27 2HB LEU 27 -23.013 4.858 -15.573 254 HG LEU 27 HG LEU 27 -24.736 5.893 -17.326 255 HD11 LEU 27 1HD1 LEU 27 -24.669 8.097 -17.519 256 HD12 LEU 27 2HD1 LEU 27 -22.937 8.025 -17.840 257 HD13 LEU 27 3HD1 LEU 27 -23.520 8.186 -16.184 258 HD21 LEU 27 3HD2 LEU 27 -22.285 4.734 -17.436 259 HD22 LEU 27 1HD2 LEU 27 -21.954 6.305 -18.167 260 HD23 LEU 27 2HD2 LEU 27 -23.206 5.263 -18.845 261 H GLY 28 HN GLY 28 -26.926 4.617 -15.512 262 HA2 GLY 28 2HA GLY 28 -29.025 5.837 -15.784 263 HA3 GLY 28 3HA GLY 28 -28.076 7.208 -16.342 264 H LEU 29 HN LEU 29 -27.775 3.799 -17.259 265 HA LEU 29 HA LEU 29 -28.091 2.722 -19.243 266 HB2 LEU 29 1HB LEU 29 -29.432 5.161 -20.352 267 HB3 LEU 29 2HB LEU 29 -29.689 3.470 -20.778 268 HG LEU 29 HG LEU 29 -30.384 3.810 -18.041 269 HD11 LEU 29 1HD1 LEU 29 -32.430 5.368 -18.837 270 HD12 LEU 29 2HD1 LEU 29 -31.118 6.064 -19.788 271 HD13 LEU 29 3HD1 LEU 29 -30.985 5.979 -18.031 272 HD21 LEU 29 3HD2 LEU 29 -32.509 3.578 -20.064 273 HD22 LEU 29 1HD2 LEU 29 -32.151 2.562 -18.668 274 HD23 LEU 29 2HD2 LEU 29 -31.231 2.366 -20.160 275 HA PRO 30 HA PRO 30 -24.701 4.020 -21.710 276 HB2 PRO 30 1HB PRO 30 -25.238 2.765 -24.057 277 HB3 PRO 30 2HB PRO 30 -24.697 1.906 -22.610 278 HG2 PRO 30 1HG PRO 30 -27.467 2.223 -23.699 279 HG3 PRO 30 2HG PRO 30 -26.686 0.778 -23.030 280 HD2 PRO 30 1HD PRO 30 -28.416 2.293 -21.600 281 HD3 PRO 30 2HD PRO 30 -27.055 1.433 -20.852 282 H LYS 31 HN LYS 31 -24.209 4.894 -24.003 283 HA LYS 31 HA LYS 31 -26.154 6.215 -25.521 284 HB2 LYS 31 1HB LYS 31 -25.569 8.585 -24.822 285 HB3 LYS 31 2HB LYS 31 -26.591 7.679 -23.713 286 HG2 LYS 31 1HG LYS 31 -24.859 7.387 -22.172 287 HG3 LYS 31 2HG LYS 31 -23.618 7.807 -23.354 288 HD2 LYS 31 1HD LYS 31 -25.670 9.861 -22.748 289 HD3 LYS 31 2HD LYS 31 -24.472 9.521 -21.497 290 HE2 LYS 31 1HE LYS 31 -23.203 11.007 -22.594 291 HE3 LYS 31 2HE LYS 31 -22.914 9.688 -23.728 292 HZ1 LYS 31 3HZ LYS 31 -23.736 11.978 -24.584 293 HZ2 LYS 31 1HZ LYS 31 -25.259 11.421 -24.099 294 HZ3 LYS 31 2HZ LYS 31 -24.371 10.558 -25.251 295 H GLN 32 HN GLN 32 -23.654 4.726 -25.738 296 HA GLN 32 HA GLN 32 -22.066 6.686 -27.261 297 HB2 GLN 32 1HB GLN 32 -21.270 4.801 -25.242 298 HB3 GLN 32 2HB GLN 32 -20.483 4.402 -26.763 299 HG2 GLN 32 1HG GLN 32 -19.046 5.854 -25.552 300 HG3 GLN 32 2HG GLN 32 -19.712 6.761 -26.909 301 HE21 GLN 32 1HE2 GLN 32 -21.010 5.956 -23.711 302 HE22 GLN 32 2HE2 GLN 32 -21.306 7.588 -23.230 303 H GLY 33 HN GLY 33 -20.458 5.014 -28.691 304 HA2 GLY 33 2HA GLY 33 -22.202 4.177 -30.782 305 HA3 GLY 33 3HA GLY 33 -20.459 3.952 -30.733 306 H LYS 34 HN LYS 34 -19.873 1.902 -30.847 307 HA LYS 34 HA LYS 34 -21.745 -0.174 -29.989 308 HB2 LYS 34 1HB LYS 34 -19.134 -0.504 -31.474 309 HB3 LYS 34 2HB LYS 34 -20.400 -1.709 -31.275 310 HG2 LYS 34 1HG LYS 34 -21.102 -1.052 -33.282 311 HG3 LYS 34 2HG LYS 34 -21.745 0.366 -32.450 312 HD2 LYS 34 1HD LYS 34 -19.182 1.136 -32.821 313 HD3 LYS 34 2HD LYS 34 -19.411 0.104 -34.235 314 HE2 LYS 34 1HE LYS 34 -21.192 1.417 -35.032 315 HE3 LYS 34 2HE LYS 34 -21.386 2.241 -33.486 316 HZ1 LYS 34 3HZ LYS 34 -18.996 3.052 -33.951 317 HZ2 LYS 34 1HZ LYS 34 -20.287 3.797 -34.751 318 HZ3 LYS 34 2HZ LYS 34 -19.338 2.654 -35.559 319 H LYS 35 HN LYS 35 -20.171 -2.263 -29.373 320 HA LYS 35 HA LYS 35 -19.579 -1.994 -26.714 321 HB2 LYS 35 1HB LYS 35 -19.306 -4.006 -28.666 322 HB3 LYS 35 2HB LYS 35 -17.734 -3.869 -27.890 323 HG2 LYS 35 1HG LYS 35 -20.351 -4.296 -26.463 324 HG3 LYS 35 2HG LYS 35 -19.155 -5.546 -26.817 325 HD2 LYS 35 1HD LYS 35 -17.996 -3.243 -25.472 326 HD3 LYS 35 2HD LYS 35 -19.281 -3.999 -24.528 327 HE2 LYS 35 1HE LYS 35 -16.948 -5.476 -25.740 328 HE3 LYS 35 2HE LYS 35 -17.018 -4.921 -24.068 329 HZ1 LYS 35 3HZ LYS 35 -18.935 -6.820 -25.311 330 HZ2 LYS 35 1HZ LYS 35 -18.921 -6.328 -23.692 331 HZ3 LYS 35 2HZ LYS 35 -17.648 -7.258 -24.304 332 H GLN 36 HN GLN 36 -17.572 -1.187 -29.454 333 HA GLN 36 HA GLN 36 -15.117 -0.953 -28.057 334 HB2 GLN 36 1HB GLN 36 -16.039 -0.612 -30.724 335 HB3 GLN 36 2HB GLN 36 -15.193 0.859 -30.262 336 HG2 GLN 36 1HG GLN 36 -14.096 -1.940 -30.137 337 HG3 GLN 36 2HG GLN 36 -13.683 -0.703 -31.323 338 HE21 GLN 36 1HE2 GLN 36 -13.374 -1.712 -28.004 339 HE22 GLN 36 2HE2 GLN 36 -12.054 -0.673 -27.602 340 H ASP 37 HN ASP 37 -17.405 1.537 -29.191 341 HA ASP 37 HA ASP 37 -16.149 3.737 -28.043 342 HB2 ASP 37 1HB ASP 37 -18.672 3.175 -29.299 343 HB3 ASP 37 2HB ASP 37 -18.932 4.207 -27.895 344 H LEU 38 HN LEU 38 -18.660 1.624 -26.689 345 HA LEU 38 HA LEU 38 -19.033 2.967 -24.270 346 HB2 LEU 38 1HB LEU 38 -19.196 -0.008 -24.720 347 HB3 LEU 38 2HB LEU 38 -19.981 0.910 -23.437 348 HG LEU 38 HG LEU 38 -20.657 1.626 -26.237 349 HD11 LEU 38 1HD1 LEU 38 -21.362 -0.388 -26.832 350 HD12 LEU 38 2HD1 LEU 38 -22.467 -0.387 -25.458 351 HD13 LEU 38 3HD1 LEU 38 -20.846 -1.060 -25.285 352 HD21 LEU 38 3HD2 LEU 38 -22.592 1.177 -24.018 353 HD22 LEU 38 1HD2 LEU 38 -22.617 2.371 -25.316 354 HD23 LEU 38 2HD2 LEU 38 -21.526 2.581 -23.946 355 H ILE 39 HN ILE 39 -16.915 0.191 -24.982 356 HA ILE 39 HA ILE 39 -15.769 -0.150 -22.499 357 HB ILE 39 HB ILE 39 -14.904 -0.721 -25.269 358 HG12 ILE 39 1HG1 ILE 39 -14.462 -2.565 -22.981 359 HG13 ILE 39 2HG1 ILE 39 -16.132 -2.157 -23.360 360 HG21 ILE 39 1HG2 ILE 39 -12.673 -1.539 -24.370 361 HG22 ILE 39 2HG2 ILE 39 -12.850 0.201 -24.590 362 HG23 ILE 39 3HG2 ILE 39 -12.975 -0.500 -22.977 363 HD11 ILE 39 3HD1 ILE 39 -15.996 -3.110 -25.488 364 HD12 ILE 39 1HD1 ILE 39 -14.234 -3.142 -25.457 365 HD13 ILE 39 2HD1 ILE 39 -15.153 -4.242 -24.430 366 H ASP 40 HN ASP 40 -14.620 1.965 -25.122 367 HA ASP 40 HA ASP 40 -12.399 3.015 -23.789 368 HB2 ASP 40 1HB ASP 40 -13.491 3.325 -26.279 369 HB3 ASP 40 2HB ASP 40 -13.803 4.901 -25.557 370 H ARG 41 HN ARG 41 -15.790 3.910 -23.682 371 HA ARG 41 HA ARG 41 -15.467 6.376 -22.334 372 HB2 ARG 41 1HB ARG 41 -17.598 4.910 -23.390 373 HB3 ARG 41 2HB ARG 41 -17.943 5.024 -21.669 374 HG2 ARG 41 1HG ARG 41 -17.083 7.573 -22.632 375 HG3 ARG 41 2HG ARG 41 -18.380 6.958 -23.658 376 HD2 ARG 41 1HD ARG 41 -19.706 6.510 -21.599 377 HD3 ARG 41 2HD ARG 41 -18.435 7.296 -20.663 378 HE ARG 41 HE ARG 41 -19.420 8.952 -22.774 379 HH11 ARG 41 1HH1 ARG 41 -20.040 7.851 -19.530 380 HH12 ARG 41 2HH1 ARG 41 -20.967 9.248 -19.093 381 HH21 ARG 41 1HH2 ARG 41 -20.639 10.796 -22.211 382 HH22 ARG 41 2HH2 ARG 41 -21.308 10.922 -20.620 383 H VAL 42 HN VAL 42 -16.115 3.083 -21.181 384 HA VAL 42 HA VAL 42 -16.410 3.650 -18.467 385 HB VAL 42 HB VAL 42 -15.348 1.184 -19.840 386 HG11 VAL 42 1HG1 VAL 42 -15.895 1.684 -16.926 387 HG12 VAL 42 2HG1 VAL 42 -15.868 0.065 -17.627 388 HG13 VAL 42 3HG1 VAL 42 -14.420 1.071 -17.672 389 HG21 VAL 42 3HG2 VAL 42 -17.652 0.378 -18.911 390 HG22 VAL 42 1HG2 VAL 42 -18.018 2.103 -18.872 391 HG23 VAL 42 2HG2 VAL 42 -17.582 1.328 -20.395 392 H LEU 43 HN LEU 43 -13.472 2.571 -20.180 393 HA LEU 43 HA LEU 43 -11.727 2.748 -18.010 394 HB2 LEU 43 1HB LEU 43 -10.939 3.325 -20.852 395 HB3 LEU 43 2HB LEU 43 -9.957 2.616 -19.571 396 HG LEU 43 HG LEU 43 -12.168 1.324 -21.151 397 HD11 LEU 43 1HD1 LEU 43 -9.319 0.475 -20.673 398 HD12 LEU 43 2HD1 LEU 43 -9.857 1.393 -22.079 399 HD13 LEU 43 3HD1 LEU 43 -10.477 -0.234 -21.798 400 HD21 LEU 43 3HD2 LEU 43 -10.945 0.508 -18.537 401 HD22 LEU 43 1HD2 LEU 43 -11.587 -0.686 -19.666 402 HD23 LEU 43 2HD2 LEU 43 -12.647 0.557 -19.000 403 H ALA 44 HN ALA 44 -12.776 5.188 -20.322 404 HA ALA 44 HA ALA 44 -10.937 7.198 -19.539 405 HB1 ALA 44 1HB ALA 44 -12.514 8.745 -20.692 406 HB2 ALA 44 2HB ALA 44 -12.013 7.364 -21.670 407 HB3 ALA 44 3HB ALA 44 -13.609 7.381 -20.919 408 H LEU 45 HN LEU 45 -13.951 6.081 -18.235 409 HA LEU 45 HA LEU 45 -14.453 8.426 -16.649 410 HB2 LEU 45 1HB LEU 45 -16.469 7.510 -16.637 411 HB3 LEU 45 2HB LEU 45 -15.832 6.024 -17.337 412 HG LEU 45 HG LEU 45 -15.221 5.371 -14.938 413 HD11 LEU 45 1HD1 LEU 45 -17.412 6.966 -13.887 414 HD12 LEU 45 2HD1 LEU 45 -16.033 7.943 -14.392 415 HD13 LEU 45 3HD1 LEU 45 -15.813 6.650 -13.213 416 HD21 LEU 45 3HD2 LEU 45 -17.142 4.518 -16.371 417 HD22 LEU 45 1HD2 LEU 45 -18.169 5.624 -15.459 418 HD23 LEU 45 2HD2 LEU 45 -17.306 4.332 -14.624 419 H LEU 46 HN LEU 46 -13.172 5.176 -16.055 420 HA LEU 46 HA LEU 46 -12.707 5.705 -13.263 421 HB2 LEU 46 1HB LEU 46 -11.483 3.446 -14.801 422 HB3 LEU 46 2HB LEU 46 -11.951 3.503 -13.103 423 HG LEU 46 HG LEU 46 -13.909 3.473 -15.397 424 HD11 LEU 46 1HD1 LEU 46 -13.437 1.138 -13.608 425 HD12 LEU 46 2HD1 LEU 46 -12.359 1.405 -14.977 426 HD13 LEU 46 3HD1 LEU 46 -14.089 1.192 -15.246 427 HD21 LEU 46 3HD2 LEU 46 -15.550 3.594 -13.873 428 HD22 LEU 46 1HD2 LEU 46 -14.304 4.281 -12.830 429 HD23 LEU 46 2HD2 LEU 46 -14.696 2.564 -12.723 430 H THR 47 HN THR 47 -11.105 6.456 -16.119 431 HA THR 47 HA THR 47 -8.493 6.616 -14.777 432 HB THR 47 HB THR 47 -9.127 6.794 -17.729 433 HG1 THR 47 1HG THR 47 -8.254 4.723 -17.810 434 HG21 THR 47 3HG2 THR 47 -7.161 8.104 -17.184 435 HG22 THR 47 1HG2 THR 47 -6.673 6.624 -18.009 436 HG23 THR 47 2HG2 THR 47 -6.488 6.761 -16.260 437 H ASP 48 HN ASP 48 -10.245 8.491 -17.258 438 HA ASP 48 HA ASP 48 -8.926 10.921 -16.523 439 HB2 ASP 48 1HB ASP 48 -10.661 10.007 -18.644 440 HB3 ASP 48 2HB ASP 48 -11.203 11.568 -18.035 441 H GLU 49 HN GLU 49 -11.536 9.231 -15.240 442 HA GLU 49 HA GLU 49 -12.400 11.625 -13.767 443 HB2 GLU 49 1HB GLU 49 -13.991 9.943 -15.501 444 HB3 GLU 49 2HB GLU 49 -14.619 9.915 -13.859 445 HG2 GLU 49 1HG GLU 49 -14.814 12.317 -13.846 446 HG3 GLU 49 2HG GLU 49 -14.065 12.416 -15.438 447 H GLN 50 HN GLN 50 -10.549 9.346 -13.200 448 HA GLN 50 HA GLN 50 -11.599 7.468 -11.467 449 HB2 GLN 50 1HB GLN 50 -9.400 7.153 -10.636 450 HB3 GLN 50 2HB GLN 50 -9.221 7.631 -12.319 451 HG2 GLN 50 1HG GLN 50 -9.144 9.766 -10.266 452 HG3 GLN 50 2HG GLN 50 -7.758 8.683 -10.384 453 HE21 GLN 50 1HE2 GLN 50 -9.629 11.135 -11.978 454 HE22 GLN 50 2HE2 GLN 50 -8.495 11.471 -13.236 455 H GLY 51 HN GLY 51 -11.203 10.862 -11.009 456 HA2 GLY 51 2HA GLY 51 -11.874 12.240 -9.296 457 HA3 GLY 51 3HA GLY 51 -12.714 10.857 -8.611 458 H GLN 52 HN GLN 52 -9.254 11.387 -9.223 459 HA GLN 52 HA GLN 52 -8.553 10.332 -6.662 460 HB2 GLN 52 1HB GLN 52 -7.183 11.119 -9.094 461 HB3 GLN 52 2HB GLN 52 -6.316 11.667 -7.665 462 HG2 GLN 52 1HG GLN 52 -7.191 8.950 -7.331 463 HG3 GLN 52 2HG GLN 52 -6.264 9.130 -8.820 464 HE21 GLN 52 1HE2 GLN 52 -6.055 10.593 -5.593 465 HE22 GLN 52 2HE2 GLN 52 -4.395 10.193 -5.333 466 H ARG 53 HN ARG 53 -8.723 13.562 -8.073 467 HA ARG 53 HA ARG 53 -8.324 14.675 -5.374 468 HB2 ARG 53 1HB ARG 53 -7.295 16.641 -6.389 469 HB3 ARG 53 2HB ARG 53 -6.415 15.185 -6.832 470 HG2 ARG 53 1HG ARG 53 -8.098 15.342 -8.914 471 HG3 ARG 53 2HG ARG 53 -7.957 17.053 -8.507 472 HD2 ARG 53 1HD ARG 53 -5.788 15.127 -9.287 473 HD3 ARG 53 2HD ARG 53 -6.251 16.634 -10.075 474 HE ARG 53 HE ARG 53 -4.520 16.324 -7.789 475 HH11 ARG 53 1HH1 ARG 53 -6.553 18.490 -9.604 476 HH12 ARG 53 2HH1 ARG 53 -5.766 19.921 -9.027 477 HH21 ARG 53 1HH2 ARG 53 -3.476 18.201 -7.022 478 HH22 ARG 53 2HH2 ARG 53 -4.015 19.756 -7.559 479 H HIS 54 HN HIS 54 -10.827 13.892 -6.454 480 HA HIS 54 HA HIS 54 -12.229 16.412 -6.225 481 HB2 HIS 54 1HB HIS 54 -11.689 15.457 -8.783 482 HB3 HIS 54 2HB HIS 54 -13.345 14.943 -8.475 483 HD1 HIS 54 1HD HIS 54 -11.238 18.012 -8.892 484 HD2 HIS 54 2HD HIS 54 -15.232 16.992 -8.374 485 HE1 HIS 54 1HE HIS 54 -12.534 20.116 -9.356 486 H HIS 55 HN HIS 55 -14.757 15.669 -6.862 487 HA HIS 55 HA HIS 55 -15.270 13.215 -5.327 488 HB2 HIS 55 1HB HIS 55 -17.170 14.379 -4.206 489 HB3 HIS 55 2HB HIS 55 -15.594 15.030 -3.767 490 HD1 HIS 55 1HD HIS 55 -18.523 15.834 -6.035 491 HD2 HIS 55 2HD HIS 55 -15.328 17.714 -4.160 492 HE1 HIS 55 1HE HIS 55 -18.861 18.294 -6.436 493 H GLY 56 HN GLY 56 -17.942 13.064 -5.386 494 HA2 GLY 56 2HA GLY 56 -19.687 13.630 -7.185 495 HA3 GLY 56 3HA GLY 56 -18.503 12.923 -8.275 496 H TRP 57 HN TRP 57 -19.196 11.752 -5.034 497 HA TRP 57 HA TRP 57 -20.267 9.289 -6.246 498 HB2 TRP 57 1HB TRP 57 -19.375 8.943 -3.518 499 HB3 TRP 57 2HB TRP 57 -18.865 8.094 -4.975 500 HD1 TRP 57 HD TRP 57 -16.719 9.095 -6.285 501 HE1 TRP 57 1HE TRP 57 -14.763 10.547 -5.456 502 HE3 TRP 57 3HE TRP 57 -18.760 10.788 -1.914 503 HZ2 TRP 57 2HZ TRP 57 -14.163 12.192 -3.242 504 HZ3 TRP 57 3HZ TRP 57 -17.429 12.296 -0.498 505 HH2 TRP 57 HH TRP 57 -15.179 12.982 -1.149 506 H GLY 58 HN GLY 58 -20.311 10.685 -2.965 507 HA2 GLY 58 2HA GLY 58 -22.316 11.625 -1.999 508 HA3 GLY 58 3HA GLY 58 -23.256 10.582 -3.057 509 H ARG 59 HN ARG 59 -22.632 8.140 -2.702 510 HA ARG 59 HA ARG 59 -21.758 7.211 -0.230 511 HB2 ARG 59 1HB ARG 59 -23.578 8.326 0.833 512 HB3 ARG 59 2HB ARG 59 -24.721 7.751 -0.373 513 HG2 ARG 59 1HG ARG 59 -23.384 5.558 0.952 514 HG3 ARG 59 2HG ARG 59 -24.203 6.620 2.099 515 HD2 ARG 59 1HD ARG 59 -25.412 5.253 -0.300 516 HD3 ARG 59 2HD ARG 59 -25.725 4.892 1.397 517 HE ARG 59 HE ARG 59 -26.826 7.064 -0.156 518 HH11 ARG 59 1HH1 ARG 59 -26.191 5.797 3.024 519 HH12 ARG 59 2HH1 ARG 59 -27.423 6.745 3.790 520 HH21 ARG 59 1HH2 ARG 59 -28.451 8.317 0.841 521 HH22 ARG 59 2HH2 ARG 59 -28.708 8.178 2.547 522 H LYS 60 HN LYS 60 -23.900 6.818 -2.963 523 HA LYS 60 HA LYS 60 -22.882 4.263 -3.600 524 HB2 LYS 60 1HB LYS 60 -24.703 2.826 -3.101 525 HB3 LYS 60 2HB LYS 60 -24.366 3.718 -1.623 526 HG2 LYS 60 1HG LYS 60 -26.215 5.300 -2.316 527 HG3 LYS 60 2HG LYS 60 -26.635 4.110 -3.550 528 HD2 LYS 60 1HD LYS 60 -26.288 2.903 -0.932 529 HD3 LYS 60 2HD LYS 60 -27.533 4.154 -0.930 530 HE2 LYS 60 1HE LYS 60 -28.931 2.935 -2.201 531 HE3 LYS 60 2HE LYS 60 -27.631 2.335 -3.230 532 HZ1 LYS 60 3HZ LYS 60 -28.883 0.698 -1.713 533 HZ2 LYS 60 1HZ LYS 60 -27.921 1.333 -0.475 534 HZ3 LYS 60 2HZ LYS 60 -27.197 0.588 -1.809 535 H ASN 61 HN ASN 61 -23.622 6.910 -4.728 536 HA ASN 61 HA ASN 61 -25.819 6.877 -6.388 537 HB2 ASN 61 1HB ASN 61 -24.724 8.538 -7.709 538 HB3 ASN 61 2HB ASN 61 -24.187 8.776 -6.048 539 HD21 ASN 61 1HD2 ASN 61 -22.343 6.662 -5.916 540 HD22 ASN 61 2HD2 ASN 61 -21.003 7.055 -6.933 541 H SER 62 HN SER 62 -22.922 5.015 -6.608 542 HA SER 62 HA SER 62 -22.244 3.368 -8.023 543 HB2 SER 62 1HB SER 62 -25.063 3.424 -9.116 544 HB3 SER 62 2HB SER 62 -23.918 2.084 -9.184 545 HG SER 62 HG SER 62 -24.696 1.493 -7.337 546 H LEU 63 HN LEU 63 -21.912 6.107 -8.798 547 HA LEU 63 HA LEU 63 -21.882 5.787 -11.725 548 HB2 LEU 63 1HB LEU 63 -21.951 8.512 -10.556 549 HB3 LEU 63 2HB LEU 63 -22.590 7.924 -12.089 550 HG LEU 63 HG LEU 63 -23.862 7.306 -9.430 551 HD11 LEU 63 1HD1 LEU 63 -24.288 9.522 -9.388 552 HD12 LEU 63 2HD1 LEU 63 -25.542 9.075 -10.545 553 HD13 LEU 63 3HD1 LEU 63 -24.005 9.723 -11.118 554 HD21 LEU 63 3HD2 LEU 63 -25.092 7.289 -12.172 555 HD22 LEU 63 1HD2 LEU 63 -25.714 6.576 -10.684 556 HD23 LEU 63 2HD2 LEU 63 -24.306 5.871 -11.478 557 H THR 64 HN THR 64 -19.832 5.072 -9.819 558 HA THR 64 HA THR 64 -17.657 6.632 -10.962 559 HB THR 64 HB THR 64 -17.232 6.164 -8.097 560 HG1 THR 64 1HG THR 64 -18.931 8.325 -8.771 561 HG21 THR 64 3HG2 THR 64 -17.019 8.842 -9.347 562 HG22 THR 64 1HG2 THR 64 -15.969 7.579 -9.986 563 HG23 THR 64 2HG2 THR 64 -15.900 8.000 -8.275 564 H LYS 65 HN LYS 65 -15.505 5.657 -9.789 565 HA LYS 65 HA LYS 65 -15.077 3.170 -10.861 566 HB2 LYS 65 1HB LYS 65 -13.181 2.997 -9.162 567 HB3 LYS 65 2HB LYS 65 -13.177 4.405 -10.215 568 HG2 LYS 65 1HG LYS 65 -13.703 5.851 -8.516 569 HG3 LYS 65 2HG LYS 65 -14.494 4.602 -7.552 570 HD2 LYS 65 1HD LYS 65 -11.533 4.590 -8.078 571 HD3 LYS 65 2HD LYS 65 -12.244 5.460 -6.717 572 HE2 LYS 65 1HE LYS 65 -13.142 2.679 -7.022 573 HE3 LYS 65 2HE LYS 65 -11.431 2.869 -6.644 574 HZ1 LYS 65 3HZ LYS 65 -12.901 2.677 -4.672 575 HZ2 LYS 65 1HZ LYS 65 -13.613 4.152 -5.097 576 HZ3 LYS 65 2HZ LYS 65 -11.973 4.092 -4.692 577 H GLU 66 HN GLU 66 -16.493 3.973 -7.772 578 HA GLU 66 HA GLU 66 -16.274 1.505 -6.482 579 HB2 GLU 66 1HB GLU 66 -18.595 3.425 -6.262 580 HB3 GLU 66 2HB GLU 66 -18.087 2.240 -5.067 581 HG2 GLU 66 1HG GLU 66 -16.003 3.458 -4.731 582 HG3 GLU 66 2HG GLU 66 -16.495 4.640 -5.943 583 H ALA 67 HN ALA 67 -18.898 2.760 -8.532 584 HA ALA 67 HA ALA 67 -20.471 0.409 -8.422 585 HB1 ALA 67 1HB ALA 67 -21.949 1.718 -9.434 586 HB2 ALA 67 2HB ALA 67 -20.722 2.984 -9.512 587 HB3 ALA 67 3HB ALA 67 -20.913 1.857 -10.855 588 H VAL 68 HN VAL 68 -18.289 1.671 -10.942 589 HA VAL 68 HA VAL 68 -18.544 -0.404 -12.770 590 HB VAL 68 HB VAL 68 -16.111 1.285 -12.179 591 HG11 VAL 68 1HG1 VAL 68 -16.557 -0.899 -14.072 592 HG12 VAL 68 2HG1 VAL 68 -15.952 0.583 -14.813 593 HG13 VAL 68 3HG1 VAL 68 -15.052 -0.180 -13.502 594 HG21 VAL 68 3HG2 VAL 68 -16.997 2.334 -14.409 595 HG22 VAL 68 1HG2 VAL 68 -18.530 1.633 -13.890 596 HG23 VAL 68 2HG2 VAL 68 -17.702 2.802 -12.862 597 H ALA 69 HN ALA 69 -16.233 -0.066 -10.091 598 HA ALA 69 HA ALA 69 -14.956 -2.566 -10.575 599 HB1 ALA 69 1HB ALA 69 -13.870 -0.688 -9.396 600 HB2 ALA 69 2HB ALA 69 -14.972 -0.932 -8.041 601 HB3 ALA 69 3HB ALA 69 -13.819 -2.193 -8.478 602 H LYS 70 HN LYS 70 -17.763 -1.566 -8.791 603 HA LYS 70 HA LYS 70 -17.988 -3.753 -7.031 604 HB2 LYS 70 1HB LYS 70 -19.302 -1.773 -6.659 605 HB3 LYS 70 2HB LYS 70 -20.080 -1.932 -8.228 606 HG2 LYS 70 1HG LYS 70 -21.306 -3.835 -7.525 607 HG3 LYS 70 2HG LYS 70 -20.358 -3.978 -6.043 608 HD2 LYS 70 1HD LYS 70 -22.028 -2.837 -5.080 609 HD3 LYS 70 2HD LYS 70 -21.332 -1.422 -5.875 610 HE2 LYS 70 1HE LYS 70 -22.881 -1.500 -7.623 611 HE3 LYS 70 2HE LYS 70 -23.327 -3.170 -7.275 612 HZ1 LYS 70 3HZ LYS 70 -24.473 -0.784 -6.282 613 HZ2 LYS 70 1HZ LYS 70 -23.900 -1.718 -4.993 614 HZ3 LYS 70 2HZ LYS 70 -25.004 -2.379 -6.090 615 H ILE 71 HN ILE 71 -19.477 -3.181 -10.215 616 HA ILE 71 HA ILE 71 -20.699 -5.749 -10.343 617 HB ILE 71 HB ILE 71 -20.040 -4.037 -12.728 618 HG12 ILE 71 1HG1 ILE 71 -21.053 -2.566 -11.079 619 HG13 ILE 71 2HG1 ILE 71 -22.217 -2.910 -12.354 620 HG21 ILE 71 1HG2 ILE 71 -21.381 -5.405 -13.862 621 HG22 ILE 71 2HG2 ILE 71 -21.316 -6.478 -12.465 622 HG23 ILE 71 3HG2 ILE 71 -22.635 -5.319 -12.625 623 HD11 ILE 71 3HD1 ILE 71 -22.565 -4.859 -10.340 624 HD12 ILE 71 1HD1 ILE 71 -22.475 -3.283 -9.554 625 HD13 ILE 71 2HD1 ILE 71 -23.665 -3.569 -10.825 626 H VAL 72 HN VAL 72 -17.858 -4.356 -11.984 627 HA VAL 72 HA VAL 72 -17.056 -6.560 -13.438 628 HB VAL 72 HB VAL 72 -15.328 -4.486 -12.085 629 HG11 VAL 72 1HG1 VAL 72 -13.987 -5.422 -14.320 630 HG12 VAL 72 2HG1 VAL 72 -13.595 -5.774 -12.636 631 HG13 VAL 72 3HG1 VAL 72 -14.616 -6.880 -13.555 632 HG21 VAL 72 3HG2 VAL 72 -17.097 -3.858 -13.862 633 HG22 VAL 72 1HG2 VAL 72 -15.454 -3.244 -14.045 634 HG23 VAL 72 2HG2 VAL 72 -15.992 -4.623 -15.003 635 H ASP 73 HN ASP 73 -16.403 -5.796 -10.050 636 HA ASP 73 HA ASP 73 -14.645 -7.983 -9.598 637 HB2 ASP 73 1HB ASP 73 -14.495 -6.171 -8.075 638 HB3 ASP 73 2HB ASP 73 -16.228 -6.195 -7.758 639 H ASP 74 HN ASP 74 -18.104 -7.481 -8.984 640 HA ASP 74 HA ASP 74 -18.644 -9.907 -7.721 641 HB2 ASP 74 1HB ASP 74 -20.267 -7.931 -9.257 642 HB3 ASP 74 2HB ASP 74 -20.985 -9.502 -8.914 643 H THR 75 HN THR 75 -18.951 -9.082 -11.173 644 HA THR 75 HA THR 75 -19.727 -11.628 -12.051 645 HB THR 75 HB THR 75 -18.091 -10.243 -14.012 646 HG1 THR 75 1HG THR 75 -20.172 -8.777 -12.723 647 HG21 THR 75 3HG2 THR 75 -20.749 -11.444 -13.739 648 HG22 THR 75 1HG2 THR 75 -19.648 -11.431 -15.116 649 HG23 THR 75 2HG2 THR 75 -20.698 -10.047 -14.815 650 H TYR 76 HN TYR 76 -16.518 -10.158 -11.742 651 HA TYR 76 HA TYR 76 -15.078 -12.304 -12.882 652 HB2 TYR 76 1HB TYR 76 -14.310 -9.881 -12.385 653 HB3 TYR 76 2HB TYR 76 -13.939 -10.486 -10.775 654 HD1 TYR 76 2HD TYR 76 -13.504 -12.085 -14.118 655 HD2 TYR 76 1HD TYR 76 -11.623 -10.553 -10.623 656 HE1 TYR 76 2HE TYR 76 -11.334 -12.907 -14.933 657 HE2 TYR 76 1HE TYR 76 -9.447 -11.369 -11.429 658 HH TYR 76 HH TYR 76 -8.433 -12.716 -12.947 659 H ARG 77 HN ARG 77 -16.256 -11.662 -9.651 660 HA ARG 77 HA ARG 77 -14.714 -13.625 -8.307 661 HB2 ARG 77 1HB ARG 77 -16.408 -11.626 -7.521 662 HB3 ARG 77 2HB ARG 77 -17.378 -13.057 -7.200 663 HG2 ARG 77 1HG ARG 77 -16.311 -13.192 -5.259 664 HG3 ARG 77 2HG ARG 77 -14.895 -13.705 -6.178 665 HD2 ARG 77 1HD ARG 77 -15.589 -10.968 -5.162 666 HD3 ARG 77 2HD ARG 77 -14.140 -11.924 -4.851 667 HE ARG 77 HE ARG 77 -14.563 -10.139 -7.017 668 HH11 ARG 77 1HH1 ARG 77 -13.046 -13.158 -6.176 669 HH12 ARG 77 2HH1 ARG 77 -11.827 -13.037 -7.401 670 HH21 ARG 77 1HH2 ARG 77 -12.963 -9.968 -8.634 671 HH22 ARG 77 2HH2 ARG 77 -11.780 -11.222 -8.798 672 H LYS 78 HN LYS 78 -18.089 -13.647 -9.452 673 HA LYS 78 HA LYS 78 -18.649 -16.304 -8.753 674 HB2 LYS 78 1HB LYS 78 -19.834 -14.362 -10.703 675 HB3 LYS 78 2HB LYS 78 -20.375 -16.036 -10.706 676 HG2 LYS 78 1HG LYS 78 -21.518 -15.809 -8.786 677 HG3 LYS 78 2HG LYS 78 -20.308 -14.745 -8.066 678 HD2 LYS 78 1HD LYS 78 -22.116 -13.324 -8.334 679 HD3 LYS 78 2HD LYS 78 -21.178 -13.013 -9.796 680 HE2 LYS 78 1HE LYS 78 -23.073 -15.209 -10.088 681 HE3 LYS 78 2HE LYS 78 -23.847 -13.675 -9.694 682 HZ1 LYS 78 3HZ LYS 78 -22.043 -14.227 -11.984 683 HZ2 LYS 78 1HZ LYS 78 -22.581 -12.680 -11.560 684 HZ3 LYS 78 2HZ LYS 78 -23.692 -13.858 -12.050 685 H MET 79 HN MET 79 -17.459 -14.905 -11.789 686 HA MET 79 HA MET 79 -17.364 -17.395 -13.171 687 HB2 MET 79 1HB MET 79 -17.306 -14.850 -14.002 688 HB3 MET 79 2HB MET 79 -15.577 -15.172 -14.003 689 HG2 MET 79 1HG MET 79 -16.913 -17.355 -15.249 690 HG3 MET 79 2HG MET 79 -17.492 -15.849 -15.958 691 HE1 MET 79 3HE MET 79 -16.185 -14.272 -17.363 692 HE2 MET 79 1HE MET 79 -15.106 -13.846 -16.033 693 HE3 MET 79 2HE MET 79 -14.437 -14.288 -17.604 694 H GLN 80 HN GLN 80 -15.217 -15.715 -11.031 695 HA GLN 80 HA GLN 80 -13.314 -17.932 -11.258 696 HB2 GLN 80 1HB GLN 80 -12.401 -15.069 -11.011 697 HB3 GLN 80 2HB GLN 80 -11.414 -16.495 -11.307 698 HG2 GLN 80 1HG GLN 80 -13.134 -16.552 -13.421 699 HG3 GLN 80 2HG GLN 80 -12.911 -14.821 -13.171 700 HE21 GLN 80 1HE2 GLN 80 -11.952 -16.928 -15.186 701 HE22 GLN 80 2HE2 GLN 80 -10.265 -16.592 -15.339 702 H ILE 81 HN ILE 81 -14.646 -18.468 -9.311 703 HA ILE 81 HA ILE 81 -14.361 -16.878 -6.952 704 HB ILE 81 HB ILE 81 -15.228 -18.957 -5.793 705 HG12 ILE 81 1HG1 ILE 81 -15.716 -19.943 -8.602 706 HG13 ILE 81 2HG1 ILE 81 -14.343 -20.479 -7.639 707 HG21 ILE 81 1HG2 ILE 81 -17.472 -18.611 -6.542 708 HG22 ILE 81 2HG2 ILE 81 -16.630 -17.064 -6.609 709 HG23 ILE 81 3HG2 ILE 81 -16.913 -17.979 -8.090 710 HD11 ILE 81 3HD1 ILE 81 -15.823 -22.140 -7.185 711 HD12 ILE 81 1HD1 ILE 81 -16.228 -21.021 -5.885 712 HD13 ILE 81 2HD1 ILE 81 -17.228 -21.085 -7.336 713 H GLN 82 HN GLN 82 -11.937 -16.742 -7.291 714 HA GLN 82 HA GLN 82 -10.638 -18.269 -5.313 715 HB2 GLN 82 1HB GLN 82 -10.797 -19.971 -7.168 716 HB3 GLN 82 2HB GLN 82 -9.740 -18.934 -8.117 717 HG2 GLN 82 1HG GLN 82 -8.102 -20.173 -7.248 718 HG3 GLN 82 2HG GLN 82 -8.321 -19.163 -5.820 719 HE21 GLN 82 1HE2 GLN 82 -10.689 -20.154 -4.839 720 HE22 GLN 82 2HE2 GLN 82 -10.459 -21.786 -4.322 721 H CYS 83 HN CYS 83 -8.653 -17.409 -4.760 722 HA CYS 83 HA CYS 83 -6.997 -15.858 -4.625 723 HB2 CYS 83 1HB CYS 83 -6.803 -16.798 -7.139 724 HB3 CYS 83 2HB CYS 83 -7.161 -15.112 -7.492 725 HG CYS 83 HG CYS 83 -4.785 -14.225 -7.110 726 H ALA 84 HN ALA 84 -9.945 -15.143 -4.645 727 HA ALA 84 HA ALA 84 -10.450 -12.667 -5.754 728 HB1 ALA 84 1HB ALA 84 -11.419 -13.403 -3.010 729 HB2 ALA 84 2HB ALA 84 -12.241 -12.464 -4.257 730 HB3 ALA 84 3HB ALA 84 -12.025 -14.202 -4.461 731 HA PRO 85 HA PRO 85 -7.406 -10.179 -3.636 732 HB2 PRO 85 1HB PRO 85 -8.054 -7.856 -4.883 733 HB3 PRO 85 2HB PRO 85 -7.087 -9.121 -5.651 734 HG2 PRO 85 1HG PRO 85 -10.006 -8.524 -5.947 735 HG3 PRO 85 2HG PRO 85 -8.816 -8.937 -7.195 736 HD2 PRO 85 1HD PRO 85 -10.561 -10.747 -6.189 737 HD3 PRO 85 2HD PRO 85 -8.932 -11.193 -6.736 738 H ASP 86 HN ASP 86 -10.772 -10.099 -3.411 739 HA ASP 86 HA ASP 86 -12.210 -9.265 -1.857 740 HB2 ASP 86 1HB ASP 86 -10.308 -9.989 -0.318 741 HB3 ASP 86 2HB ASP 86 -9.809 -8.299 -0.307 742 H LEU 87 HN LEU 87 -11.351 -7.649 -4.083 743 HA LEU 87 HA LEU 87 -11.332 -5.497 -4.857 744 HB2 LEU 87 1HB LEU 87 -13.231 -4.268 -4.286 745 HB3 LEU 87 2HB LEU 87 -13.694 -5.949 -4.030 746 HG LEU 87 HG LEU 87 -12.665 -4.621 -1.631 747 HD11 LEU 87 1HD1 LEU 87 -13.853 -2.755 -2.803 748 HD12 LEU 87 2HD1 LEU 87 -14.530 -3.198 -1.236 749 HD13 LEU 87 3HD1 LEU 87 -15.324 -3.724 -2.721 750 HD21 LEU 87 3HD2 LEU 87 -14.170 -6.838 -2.247 751 HD22 LEU 87 1HD2 LEU 87 -15.369 -5.702 -1.628 752 HD23 LEU 87 2HD2 LEU 87 -13.973 -6.136 -0.641 753 H ALA 88 HN ALA 88 -9.364 -6.096 -2.783 754 HA ALA 88 HA ALA 88 -7.886 -5.062 -1.383 755 HB1 ALA 88 1HB ALA 88 -7.367 -3.891 -3.437 756 HB2 ALA 88 2HB ALA 88 -8.644 -2.716 -3.120 757 HB3 ALA 88 3HB ALA 88 -7.232 -2.789 -2.066 758 H THR 89 HN THR 89 -10.607 -5.201 -0.429 759 HA THR 89 HA THR 89 -11.974 -4.377 1.200 760 HB THR 89 HB THR 89 -9.597 -2.906 2.307 761 HG1 THR 89 1HG THR 89 -8.570 -4.736 2.523 762 HG21 THR 89 3HG2 THR 89 -12.108 -3.179 3.263 763 HG22 THR 89 1HG2 THR 89 -10.686 -2.992 4.289 764 HG23 THR 89 2HG2 THR 89 -11.344 -4.599 3.978 765 H ARG 90 HN ARG 90 -11.599 -2.741 -1.227 766 HA ARG 90 HA ARG 90 -12.165 -0.699 -2.057 767 HB2 ARG 90 1HB ARG 90 -13.897 -1.223 0.196 768 HB3 ARG 90 2HB ARG 90 -13.625 0.504 0.014 769 HG2 ARG 90 1HG ARG 90 -14.139 -0.630 -2.552 770 HG3 ARG 90 2HG ARG 90 -15.395 -1.143 -1.424 771 HD2 ARG 90 1HD ARG 90 -15.226 1.453 -0.764 772 HD3 ARG 90 2HD ARG 90 -14.746 1.548 -2.458 773 HE ARG 90 HE ARG 90 -16.998 0.021 -2.492 774 HH11 ARG 90 1HH1 ARG 90 -16.202 3.172 -1.244 775 HH12 ARG 90 2HH1 ARG 90 -17.800 3.805 -1.460 776 HH21 ARG 90 1HH2 ARG 90 -19.106 0.843 -2.781 777 HH22 ARG 90 2HH2 ARG 90 -19.451 2.479 -2.334 778 H SER 91 HN SER 91 -9.748 -0.972 -0.323 779 HA SER 91 HA SER 91 -9.408 1.891 0.271 780 HB2 SER 91 1HB SER 91 -7.881 1.212 2.142 781 HB3 SER 91 2HB SER 91 -9.569 0.776 2.404 782 HG SER 91 HG SER 91 -7.536 -0.824 2.530 783 H HIS 92 HN HIS 92 -8.188 2.544 -1.400 784 HA HIS 92 HA HIS 92 -5.468 1.868 -1.547 785 HB2 HIS 92 1HB HIS 92 -6.785 -0.156 -2.644 786 HB3 HIS 92 2HB HIS 92 -6.809 0.919 -4.039 787 HD1 HIS 92 1HD HIS 92 -5.211 -1.798 -3.886 788 HD2 HIS 92 2HD HIS 92 -3.619 1.997 -3.315 789 HE1 HIS 92 1HE HIS 92 -2.757 -2.015 -4.390 790 H SER 93 HN SER 93 -8.304 3.119 -3.202 791 HA SER 93 HA SER 93 -6.615 5.144 -4.509 792 HB2 SER 93 1HB SER 93 -9.274 3.944 -5.234 793 HB3 SER 93 2HB SER 93 -8.795 5.515 -5.876 794 HG SER 93 HG SER 93 -7.738 4.407 -7.305 795 H GLY 94 HN GLY 94 -6.831 5.793 -2.003 796 HA2 GLY 94 2HA GLY 94 -9.223 7.436 -1.603 797 HA3 GLY 94 3HA GLY 94 -8.022 7.042 -0.381 798 H SER 95 HN SER 95 -6.164 8.285 -0.197 799 HA SER 95 HA SER 95 -5.948 10.621 -1.960 800 HB2 SER 95 1HB SER 95 -7.151 10.978 0.375 801 HB3 SER 95 2HB SER 95 -5.490 11.020 0.966 802 HG SER 95 HG SER 95 -6.513 12.632 -1.137 803 H ASP 96 HN ASP 96 -3.884 11.855 -0.440 804 HA ASP 96 HA ASP 96 -1.627 10.543 -1.468 805 HB2 ASP 96 1HB ASP 96 -2.037 12.798 0.463 806 HB3 ASP 96 2HB ASP 96 -0.423 12.131 0.236 807 H PHE 97 HN PHE 97 -3.464 9.867 1.276 808 HA PHE 97 HA PHE 97 -1.281 8.227 2.383 809 HB2 PHE 97 1HB PHE 97 -2.738 10.282 3.674 810 HB3 PHE 97 2HB PHE 97 -3.289 8.759 4.364 811 HD1 PHE 97 1HD PHE 97 -1.571 7.173 5.310 812 HD2 PHE 97 2HD PHE 97 -0.676 11.204 4.275 813 HE1 PHE 97 1HE PHE 97 0.437 7.088 6.729 814 HE2 PHE 97 2HE PHE 97 1.334 11.125 5.692 815 HZ PHE 97 HZ PHE 97 1.893 9.066 6.921 816 H SER 98 HN SER 98 -3.766 7.891 0.520 817 HA SER 98 HA SER 98 -5.253 6.243 0.021 818 HB2 SER 98 1HB SER 98 -3.854 4.525 2.069 819 HB3 SER 98 2HB SER 98 -4.676 4.015 0.594 820 HG SER 98 HG SER 98 -2.486 3.985 0.201 821 H PHE 99 HN PHE 99 -6.144 8.096 1.854 822 HA PHE 99 HA PHE 99 -8.278 6.667 3.093 823 HB2 PHE 99 1HB PHE 99 -6.317 6.417 4.719 824 HB3 PHE 99 2HB PHE 99 -6.482 8.145 5.010 825 HD1 PHE 99 2HD PHE 99 -8.636 5.099 4.880 826 HD2 PHE 99 1HD PHE 99 -7.743 8.787 6.809 827 HE1 PHE 99 2HE PHE 99 -10.386 4.645 6.549 828 HE2 PHE 99 1HE PHE 99 -9.491 8.338 8.483 829 HZ PHE 99 HZ PHE 99 -10.816 6.266 8.353 830 H ARG 100 HN ARG 100 -8.677 8.434 1.259 831 HA ARG 100 HA ARG 100 -8.670 11.140 1.767 832 HB2 ARG 100 1HB ARG 100 -9.307 10.180 -0.394 833 HB3 ARG 100 2HB ARG 100 -10.789 9.549 0.311 834 HG2 ARG 100 1HG ARG 100 -11.641 11.425 -0.610 835 HG3 ARG 100 2HG ARG 100 -11.112 12.121 0.924 836 HD2 ARG 100 1HD ARG 100 -8.852 12.422 -0.440 837 HD3 ARG 100 2HD ARG 100 -9.973 12.422 -1.801 838 HE ARG 100 HE ARG 100 -10.896 14.184 0.196 839 HH11 ARG 100 1HH1 ARG 100 -8.401 13.879 -2.212 840 HH12 ARG 100 2HH1 ARG 100 -8.229 15.588 -2.438 841 HH21 ARG 100 1HH2 ARG 100 -10.678 16.437 -0.092 842 HH22 ARG 100 2HH2 ARG 100 -9.524 17.042 -1.231 843 HA PRO 101 HA PRO 101 -11.413 11.668 5.187 844 HB2 PRO 101 1HB PRO 101 -11.810 14.341 4.936 845 HB3 PRO 101 2HB PRO 101 -10.308 13.648 5.559 846 HG2 PRO 101 1HG PRO 101 -10.929 14.662 2.812 847 HG3 PRO 101 2HG PRO 101 -9.471 14.905 3.791 848 HD2 PRO 101 1HD PRO 101 -9.598 13.080 1.794 849 HD3 PRO 101 2HD PRO 101 -8.611 12.836 3.249 850 H ILE 102 HN ILE 102 -13.501 13.225 5.499 851 HA ILE 102 HA ILE 102 -15.241 13.010 3.158 852 HB ILE 102 HB ILE 102 -16.278 12.051 5.802 853 HG12 ILE 102 1HG1 ILE 102 -14.587 10.553 3.836 854 HG13 ILE 102 2HG1 ILE 102 -14.564 10.497 5.595 855 HG21 ILE 102 1HG2 ILE 102 -17.697 12.671 3.744 856 HG22 ILE 102 2HG2 ILE 102 -17.104 11.156 3.066 857 HG23 ILE 102 3HG2 ILE 102 -18.030 11.147 4.567 858 HD11 ILE 102 3HD1 ILE 102 -16.419 9.136 3.690 859 HD12 ILE 102 1HD1 ILE 102 -15.454 8.449 4.997 860 HD13 ILE 102 2HD1 ILE 102 -16.885 9.412 5.368 861 H GLU 103 HN GLU 103 -14.046 15.269 4.477 862 HA GLU 103 HA GLU 103 -15.620 16.606 6.301 863 HB2 GLU 103 1HB GLU 103 -13.552 17.296 4.415 864 HB3 GLU 103 2HB GLU 103 -14.772 18.562 4.463 865 HG2 GLU 103 1HG GLU 103 -14.507 18.759 6.867 866 HG3 GLU 103 2HG GLU 103 -13.327 17.449 6.858 867 H GLU 104 HN GLU 104 -16.153 16.117 2.881 868 HA GLU 104 HA GLU 104 -18.203 18.058 2.568 869 HB2 GLU 104 1HB GLU 104 -16.809 16.862 0.755 870 HB3 GLU 104 2HB GLU 104 -17.975 15.556 0.915 871 HG2 GLU 104 1HG GLU 104 -18.590 16.969 -0.926 872 HG3 GLU 104 2HG GLU 104 -19.782 17.129 0.363 873 H ALA 105 HN ALA 105 -19.562 17.721 4.387 874 HA ALA 105 HA ALA 105 -21.782 16.029 3.862 875 HB1 ALA 105 1HB ALA 105 -19.789 15.141 5.905 876 HB2 ALA 105 2HB ALA 105 -21.503 14.783 6.122 877 HB3 ALA 105 3HB ALA 105 -20.653 14.192 4.694 Start of MODEL 19 1 H1 GLY -5 HN GLY -5 0.794 8.037 -6.554 2 HA2 GLY -5 2HA GLY -5 2.472 6.107 -7.030 3 HA3 GLY -5 3HA GLY -5 3.100 7.571 -6.288 4 H SER -4 HN SER -4 1.893 4.325 -5.621 5 HA SER -4 HA SER -4 3.866 3.739 -3.729 6 HB2 SER -4 1HB SER -4 1.584 5.202 -2.677 7 HB3 SER -4 2HB SER -4 1.766 3.631 -1.898 8 HG SER -4 HG SER -4 2.994 5.241 -0.845 9 H HIS -3 HN HIS -3 0.359 3.154 -4.048 10 HA HIS -3 HA HIS -3 0.921 0.372 -4.738 11 HB2 HIS -3 1HB HIS -3 -1.177 0.962 -2.668 12 HB3 HIS -3 2HB HIS -3 -0.410 -0.576 -3.054 13 HD1 HIS -3 1HD HIS -3 2.228 -0.691 -2.358 14 HD2 HIS -3 2HD HIS -3 -0.083 2.245 -0.541 15 HE1 HIS -3 1HE HIS -3 3.526 0.025 -0.326 16 H MET -2 HN MET -2 0.129 0.613 -6.786 17 HA MET -2 HA MET -2 -1.430 0.651 -8.443 18 HB2 MET -2 1HB MET -2 -3.421 0.554 -6.170 19 HB3 MET -2 2HB MET -2 -3.781 0.249 -7.864 20 HG2 MET -2 1HG MET -2 -3.322 -1.886 -7.558 21 HG3 MET -2 2HG MET -2 -1.657 -1.458 -7.168 22 HE1 MET -2 3HE MET -2 -1.633 -3.458 -4.045 23 HE2 MET -2 1HE MET -2 -1.520 -3.662 -5.793 24 HE3 MET -2 2HE MET -2 -0.634 -2.360 -4.999 25 H ALA -1 HN ALA -1 -0.537 2.889 -8.641 26 HA ALA -1 HA ALA -1 -2.114 5.081 -7.671 27 HB1 ALA -1 1HB ALA -1 -0.505 6.460 -8.547 28 HB2 ALA -1 2HB ALA -1 0.426 4.980 -8.313 29 HB3 ALA -1 3HB ALA -1 -0.181 5.396 -9.916 30 H SER 1 HN SER 1 -4.002 3.692 -8.780 31 HA SER 1 HA SER 1 -5.795 3.996 -10.178 32 HB2 SER 1 1HB SER 1 -4.499 6.401 -10.449 33 HB3 SER 1 2HB SER 1 -4.506 5.800 -12.107 34 HG SER 1 HG SER 1 -6.482 6.503 -12.133 35 H ALA 2 HN ALA 2 -2.615 3.896 -11.731 36 HA ALA 2 HA ALA 2 -3.277 2.833 -14.186 37 HB1 ALA 2 1HB ALA 2 -0.857 2.072 -12.557 38 HB2 ALA 2 2HB ALA 2 -1.025 1.993 -14.311 39 HB3 ALA 2 3HB ALA 2 -1.010 3.557 -13.497 40 H ASP 3 HN ASP 3 -3.140 1.249 -11.071 41 HA ASP 3 HA ASP 3 -3.328 -1.412 -12.145 42 HB2 ASP 3 1HB ASP 3 -2.588 -0.366 -9.707 43 HB3 ASP 3 2HB ASP 3 -4.171 -1.057 -9.361 44 H LEU 4 HN LEU 4 -5.556 0.952 -10.769 45 HA LEU 4 HA LEU 4 -7.816 -0.762 -10.704 46 HB2 LEU 4 1HB LEU 4 -7.594 1.321 -9.388 47 HB3 LEU 4 2HB LEU 4 -7.735 2.246 -10.881 48 HG LEU 4 HG LEU 4 -9.961 0.405 -10.440 49 HD11 LEU 4 1HD1 LEU 4 -10.756 2.392 -8.754 50 HD12 LEU 4 2HD1 LEU 4 -9.077 2.156 -8.269 51 HD13 LEU 4 3HD1 LEU 4 -10.200 0.796 -8.250 52 HD21 LEU 4 3HD2 LEU 4 -11.247 2.359 -11.070 53 HD22 LEU 4 1HD2 LEU 4 -9.885 2.153 -12.170 54 HD23 LEU 4 2HD2 LEU 4 -9.819 3.382 -10.907 55 H VAL 5 HN VAL 5 -6.550 1.513 -13.088 56 HA VAL 5 HA VAL 5 -8.763 1.274 -14.875 57 HB VAL 5 HB VAL 5 -5.950 2.259 -15.366 58 HG11 VAL 5 1HG1 VAL 5 -6.886 3.302 -17.393 59 HG12 VAL 5 2HG1 VAL 5 -6.949 1.540 -17.453 60 HG13 VAL 5 3HG1 VAL 5 -8.410 2.464 -17.100 61 HG21 VAL 5 3HG2 VAL 5 -8.414 3.951 -15.160 62 HG22 VAL 5 1HG2 VAL 5 -7.528 3.460 -13.716 63 HG23 VAL 5 2HG2 VAL 5 -6.725 4.416 -14.962 64 H SER 6 HN SER 6 -5.447 -0.028 -14.929 65 HA SER 6 HA SER 6 -5.701 -1.534 -17.269 66 HB2 SER 6 1HB SER 6 -3.944 -1.929 -14.841 67 HB3 SER 6 2HB SER 6 -3.795 -2.895 -16.309 68 HG SER 6 HG SER 6 -3.718 -0.605 -17.294 69 H SER 7 HN SER 7 -6.370 -2.383 -13.902 70 HA SER 7 HA SER 7 -6.979 -5.108 -14.403 71 HB2 SER 7 1HB SER 7 -7.871 -5.140 -12.143 72 HB3 SER 7 2HB SER 7 -6.376 -4.204 -12.162 73 HG SER 7 HG SER 7 -8.306 -3.296 -11.031 74 H CYS 8 HN CYS 8 -9.094 -2.309 -13.764 75 HA CYS 8 HA CYS 8 -11.539 -3.549 -14.096 76 HB2 CYS 8 1HB CYS 8 -10.587 -0.742 -14.529 77 HB3 CYS 8 2HB CYS 8 -12.230 -1.177 -14.986 78 HG CYS 8 HG CYS 8 -11.535 -2.233 -11.926 79 H LYS 9 HN LYS 9 -9.365 -2.240 -16.545 80 HA LYS 9 HA LYS 9 -11.123 -2.556 -18.742 81 HB2 LYS 9 1HB LYS 9 -9.322 -1.088 -19.092 82 HB3 LYS 9 2HB LYS 9 -8.144 -2.244 -18.482 83 HG2 LYS 9 1HG LYS 9 -9.586 -3.196 -20.829 84 HG3 LYS 9 2HG LYS 9 -8.659 -1.722 -21.117 85 HD2 LYS 9 1HD LYS 9 -7.110 -3.569 -19.556 86 HD3 LYS 9 2HD LYS 9 -7.705 -4.363 -21.016 87 HE2 LYS 9 1HE LYS 9 -6.614 -1.641 -21.362 88 HE3 LYS 9 2HE LYS 9 -5.452 -2.892 -20.925 89 HZ1 LYS 9 3HZ LYS 9 -7.309 -3.598 -23.036 90 HZ2 LYS 9 1HZ LYS 9 -5.647 -3.890 -22.912 91 HZ3 LYS 9 2HZ LYS 9 -6.204 -2.378 -23.427 92 H ASP 10 HN ASP 10 -8.463 -4.574 -17.516 93 HA ASP 10 HA ASP 10 -8.520 -6.598 -19.390 94 HB2 ASP 10 1HB ASP 10 -7.246 -6.166 -16.960 95 HB3 ASP 10 2HB ASP 10 -8.171 -7.641 -16.692 96 H LYS 11 HN LYS 11 -10.318 -6.504 -16.313 97 HA LYS 11 HA LYS 11 -11.780 -8.870 -16.790 98 HB2 LYS 11 1HB LYS 11 -13.279 -8.019 -14.977 99 HB3 LYS 11 2HB LYS 11 -11.575 -8.053 -14.545 100 HG2 LYS 11 1HG LYS 11 -11.579 -5.579 -15.291 101 HG3 LYS 11 2HG LYS 11 -13.331 -5.703 -15.113 102 HD2 LYS 11 1HD LYS 11 -12.560 -4.909 -13.039 103 HD3 LYS 11 2HD LYS 11 -12.866 -6.629 -12.785 104 HE2 LYS 11 1HE LYS 11 -10.267 -6.648 -13.595 105 HE3 LYS 11 2HE LYS 11 -10.348 -5.123 -12.714 106 HZ1 LYS 11 3HZ LYS 11 -9.934 -6.469 -10.975 107 HZ2 LYS 11 1HZ LYS 11 -10.560 -7.849 -11.729 108 HZ3 LYS 11 2HZ LYS 11 -11.606 -6.727 -11.016 109 H LEU 12 HN LEU 12 -12.627 -5.446 -17.224 110 HA LEU 12 HA LEU 12 -15.245 -5.760 -18.084 111 HB2 LEU 12 1HB LEU 12 -14.344 -3.593 -17.572 112 HB3 LEU 12 2HB LEU 12 -13.178 -3.721 -18.887 113 HG LEU 12 HG LEU 12 -15.702 -3.984 -20.080 114 HD11 LEU 12 1HD1 LEU 12 -16.747 -1.825 -19.372 115 HD12 LEU 12 2HD1 LEU 12 -15.642 -1.810 -17.997 116 HD13 LEU 12 3HD1 LEU 12 -16.821 -3.111 -18.167 117 HD21 LEU 12 3HD2 LEU 12 -15.033 -1.524 -20.764 118 HD22 LEU 12 1HD2 LEU 12 -14.131 -2.921 -21.352 119 HD23 LEU 12 2HD2 LEU 12 -13.509 -1.976 -19.999 120 H ALA 13 HN ALA 13 -12.238 -5.909 -19.939 121 HA ALA 13 HA ALA 13 -13.470 -6.181 -22.480 122 HB1 ALA 13 1HB ALA 13 -11.283 -5.487 -22.645 123 HB2 ALA 13 2HB ALA 13 -10.717 -6.621 -21.417 124 HB3 ALA 13 3HB ALA 13 -11.132 -7.202 -23.030 125 H TYR 14 HN TYR 14 -12.281 -8.506 -20.095 126 HA TYR 14 HA TYR 14 -12.713 -10.809 -21.697 127 HB2 TYR 14 1HB TYR 14 -11.187 -10.796 -19.762 128 HB3 TYR 14 2HB TYR 14 -12.561 -10.573 -18.684 129 HD1 TYR 14 2HD TYR 14 -12.002 -12.854 -21.592 130 HD2 TYR 14 1HD TYR 14 -12.845 -12.497 -17.437 131 HE1 TYR 14 2HE TYR 14 -12.275 -15.294 -21.444 132 HE2 TYR 14 1HE TYR 14 -13.119 -14.936 -17.277 133 HH TYR 14 HH TYR 14 -12.009 -17.051 -19.356 134 H PHE 15 HN PHE 15 -14.796 -8.785 -19.879 135 HA PHE 15 HA PHE 15 -16.899 -10.809 -19.738 136 HB2 PHE 15 1HB PHE 15 -16.298 -8.316 -18.326 137 HB3 PHE 15 2HB PHE 15 -17.993 -8.471 -18.772 138 HD1 PHE 15 2HD PHE 15 -18.785 -11.102 -18.388 139 HD2 PHE 15 1HD PHE 15 -15.874 -8.930 -16.169 140 HE1 PHE 15 2HE PHE 15 -19.157 -12.581 -16.458 141 HE2 PHE 15 1HE PHE 15 -16.241 -10.407 -14.235 142 HZ PHE 15 HZ PHE 15 -17.886 -12.234 -14.378 143 H ARG 16 HN ARG 16 -18.617 -10.860 -21.059 144 HA ARG 16 HA ARG 16 -18.643 -9.558 -23.506 145 HB2 ARG 16 1HB ARG 16 -21.104 -10.565 -22.074 146 HB3 ARG 16 2HB ARG 16 -20.861 -10.422 -23.810 147 HG2 ARG 16 1HG ARG 16 -18.790 -12.060 -22.955 148 HG3 ARG 16 2HG ARG 16 -20.193 -12.587 -22.024 149 HD2 ARG 16 1HD ARG 16 -20.113 -13.851 -24.060 150 HD3 ARG 16 2HD ARG 16 -21.473 -12.732 -24.150 151 HE ARG 16 HE ARG 16 -19.419 -11.393 -25.339 152 HH11 ARG 16 1HH1 ARG 16 -20.934 -14.490 -25.820 153 HH12 ARG 16 2HH1 ARG 16 -20.614 -14.528 -27.522 154 HH21 ARG 16 1HH2 ARG 16 -18.991 -11.432 -27.579 155 HH22 ARG 16 2HH2 ARG 16 -19.508 -12.789 -28.522 156 H ILE 17 HN ILE 17 -20.703 -8.251 -24.227 157 HA ILE 17 HA ILE 17 -20.479 -5.679 -23.208 158 HB ILE 17 HB ILE 17 -22.978 -6.701 -24.540 159 HG12 ILE 17 1HG1 ILE 17 -20.267 -6.122 -25.715 160 HG13 ILE 17 2HG1 ILE 17 -21.276 -7.546 -25.942 161 HG21 ILE 17 1HG2 ILE 17 -21.782 -4.093 -25.214 162 HG22 ILE 17 2HG2 ILE 17 -23.470 -4.544 -24.985 163 HG23 ILE 17 3HG2 ILE 17 -22.439 -4.246 -23.585 164 HD11 ILE 17 3HD1 ILE 17 -22.891 -5.638 -26.945 165 HD12 ILE 17 1HD1 ILE 17 -21.309 -4.962 -27.330 166 HD13 ILE 17 2HD1 ILE 17 -21.744 -6.573 -27.903 167 H LYS 18 HN LYS 18 -22.347 -8.345 -22.067 168 HA LYS 18 HA LYS 18 -24.453 -7.186 -20.743 169 HB2 LYS 18 1HB LYS 18 -23.289 -9.688 -20.787 170 HB3 LYS 18 2HB LYS 18 -23.094 -9.197 -19.110 171 HG2 LYS 18 1HG LYS 18 -25.688 -9.295 -20.637 172 HG3 LYS 18 2HG LYS 18 -25.147 -10.452 -19.419 173 HD2 LYS 18 1HD LYS 18 -26.087 -9.185 -17.852 174 HD3 LYS 18 2HD LYS 18 -24.950 -7.895 -18.250 175 HE2 LYS 18 1HE LYS 18 -26.474 -7.006 -19.897 176 HE3 LYS 18 2HE LYS 18 -27.580 -8.357 -19.654 177 HZ1 LYS 18 3HZ LYS 18 -28.536 -7.263 -18.002 178 HZ2 LYS 18 1HZ LYS 18 -27.533 -5.933 -18.297 179 HZ3 LYS 18 2HZ LYS 18 -27.064 -7.114 -17.181 180 H GLU 19 HN GLU 19 -21.140 -7.606 -19.513 181 HA GLU 19 HA GLU 19 -21.580 -6.380 -17.019 182 HB2 GLU 19 1HB GLU 19 -19.620 -7.808 -17.582 183 HB3 GLU 19 2HB GLU 19 -18.995 -6.503 -18.581 184 HG2 GLU 19 1HG GLU 19 -18.006 -6.710 -16.279 185 HG3 GLU 19 2HG GLU 19 -18.618 -5.117 -16.719 186 H LEU 20 HN LEU 20 -19.954 -5.051 -19.905 187 HA LEU 20 HA LEU 20 -19.656 -2.448 -19.001 188 HB2 LEU 20 1HB LEU 20 -20.220 -3.294 -21.838 189 HB3 LEU 20 2HB LEU 20 -19.439 -1.801 -21.322 190 HG LEU 20 HG LEU 20 -17.815 -3.723 -20.230 191 HD11 LEU 20 1HD1 LEU 20 -18.301 -4.689 -23.014 192 HD12 LEU 20 2HD1 LEU 20 -19.258 -5.329 -21.678 193 HD13 LEU 20 3HD1 LEU 20 -17.503 -5.499 -21.666 194 HD21 LEU 20 3HD2 LEU 20 -17.046 -1.730 -21.344 195 HD22 LEU 20 1HD2 LEU 20 -17.623 -2.331 -22.899 196 HD23 LEU 20 2HD2 LEU 20 -16.282 -3.138 -22.084 197 H LYS 21 HN LYS 21 -22.468 -4.058 -20.294 198 HA LYS 21 HA LYS 21 -24.010 -1.740 -20.833 199 HB2 LYS 21 1HB LYS 21 -24.512 -3.975 -21.771 200 HB3 LYS 21 2HB LYS 21 -24.955 -4.534 -20.164 201 HG2 LYS 21 1HG LYS 21 -26.975 -4.050 -21.264 202 HG3 LYS 21 2HG LYS 21 -26.702 -2.710 -20.148 203 HD2 LYS 21 1HD LYS 21 -25.557 -1.583 -22.190 204 HD3 LYS 21 2HD LYS 21 -26.461 -2.772 -23.131 205 HE2 LYS 21 1HE LYS 21 -27.990 -1.303 -21.078 206 HE3 LYS 21 2HE LYS 21 -27.425 -0.350 -22.449 207 HZ1 LYS 21 3HZ LYS 21 -28.421 -2.257 -23.832 208 HZ2 LYS 21 1HZ LYS 21 -29.469 -1.118 -23.150 209 HZ3 LYS 21 2HZ LYS 21 -29.284 -2.636 -22.427 210 H ASP 22 HN ASP 22 -24.144 -4.049 -18.117 211 HA ASP 22 HA ASP 22 -26.027 -2.722 -16.574 212 HB2 ASP 22 1HB ASP 22 -23.763 -4.573 -15.902 213 HB3 ASP 22 2HB ASP 22 -24.713 -3.838 -14.613 214 H ILE 23 HN ILE 23 -22.518 -2.284 -16.693 215 HA ILE 23 HA ILE 23 -22.333 -0.434 -14.574 216 HB ILE 23 HB ILE 23 -20.536 -0.721 -16.985 217 HG12 ILE 23 1HG1 ILE 23 -20.592 -2.804 -15.819 218 HG13 ILE 23 2HG1 ILE 23 -19.106 -1.995 -15.335 219 HG21 ILE 23 1HG2 ILE 23 -19.384 1.009 -16.212 220 HG22 ILE 23 2HG2 ILE 23 -20.568 1.224 -14.924 221 HG23 ILE 23 3HG2 ILE 23 -19.167 0.184 -14.668 222 HD11 ILE 23 3HD1 ILE 23 -20.846 -1.146 -13.424 223 HD12 ILE 23 1HD1 ILE 23 -21.425 -2.780 -13.748 224 HD13 ILE 23 2HD1 ILE 23 -19.749 -2.518 -13.266 225 H LEU 24 HN LEU 24 -22.520 0.064 -18.094 226 HA LEU 24 HA LEU 24 -22.544 2.890 -17.960 227 HB2 LEU 24 1HB LEU 24 -22.200 2.558 -20.123 228 HB3 LEU 24 2HB LEU 24 -22.668 0.866 -19.972 229 HG LEU 24 HG LEU 24 -24.773 2.974 -20.239 230 HD11 LEU 24 1HD1 LEU 24 -23.958 3.603 -22.213 231 HD12 LEU 24 2HD1 LEU 24 -24.400 1.996 -22.788 232 HD13 LEU 24 3HD1 LEU 24 -22.759 2.309 -22.224 233 HD21 LEU 24 3HD2 LEU 24 -25.898 1.042 -19.950 234 HD22 LEU 24 1HD2 LEU 24 -24.538 0.046 -20.471 235 HD23 LEU 24 2HD2 LEU 24 -25.565 0.833 -21.670 236 H ASN 25 HN ASN 25 -25.002 0.476 -17.587 237 HA ASN 25 HA ASN 25 -27.224 2.234 -18.031 238 HB2 ASN 25 1HB ASN 25 -28.443 0.347 -17.968 239 HB3 ASN 25 2HB ASN 25 -26.906 -0.508 -17.875 240 HD21 ASN 25 1HD2 ASN 25 -29.399 1.008 -15.889 241 HD22 ASN 25 2HD2 ASN 25 -29.218 -0.054 -14.538 242 H GLN 26 HN GLN 26 -25.439 1.065 -15.228 243 HA GLN 26 HA GLN 26 -27.209 2.307 -13.333 244 HB2 GLN 26 1HB GLN 26 -24.600 0.846 -13.161 245 HB3 GLN 26 2HB GLN 26 -25.168 1.776 -11.781 246 HG2 GLN 26 1HG GLN 26 -26.981 0.397 -11.425 247 HG3 GLN 26 2HG GLN 26 -26.977 -0.208 -13.081 248 HE21 GLN 26 1HE2 GLN 26 -24.542 -1.117 -13.514 249 HE22 GLN 26 2HE2 GLN 26 -24.110 -2.360 -12.396 250 H LEU 27 HN LEU 27 -24.291 3.172 -15.026 251 HA LEU 27 HA LEU 27 -23.508 5.331 -13.369 252 HB2 LEU 27 1HB LEU 27 -22.950 4.653 -16.243 253 HB3 LEU 27 2HB LEU 27 -22.275 6.079 -15.458 254 HG LEU 27 HG LEU 27 -21.825 3.379 -14.256 255 HD11 LEU 27 1HD1 LEU 27 -20.944 2.716 -16.222 256 HD12 LEU 27 2HD1 LEU 27 -19.580 3.703 -15.699 257 HD13 LEU 27 3HD1 LEU 27 -20.765 4.364 -16.824 258 HD21 LEU 27 3HD2 LEU 27 -19.726 5.437 -14.394 259 HD22 LEU 27 1HD2 LEU 27 -20.238 4.421 -13.047 260 HD23 LEU 27 2HD2 LEU 27 -21.156 5.871 -13.455 261 H GLY 28 HN GLY 28 -25.793 5.011 -15.993 262 HA2 GLY 28 2HA GLY 28 -27.592 6.447 -16.414 263 HA3 GLY 28 3HA GLY 28 -26.844 7.651 -15.375 264 H LEU 29 HN LEU 29 -25.308 5.998 -18.085 265 HA LEU 29 HA LEU 29 -25.024 8.615 -19.401 266 HB2 LEU 29 1HB LEU 29 -23.257 6.239 -19.162 267 HB3 LEU 29 2HB LEU 29 -23.172 7.183 -20.648 268 HG LEU 29 HG LEU 29 -22.516 9.150 -19.416 269 HD11 LEU 29 1HD1 LEU 29 -23.491 9.247 -17.375 270 HD12 LEU 29 2HD1 LEU 29 -21.945 8.562 -16.876 271 HD13 LEU 29 3HD1 LEU 29 -23.343 7.511 -17.097 272 HD21 LEU 29 3HD2 LEU 29 -20.542 8.164 -19.879 273 HD22 LEU 29 1HD2 LEU 29 -21.023 6.621 -19.171 274 HD23 LEU 29 2HD2 LEU 29 -20.482 7.939 -18.130 275 HA PRO 30 HA PRO 30 -27.873 6.297 -22.166 276 HB2 PRO 30 1HB PRO 30 -29.246 8.506 -22.945 277 HB3 PRO 30 2HB PRO 30 -29.623 7.613 -21.467 278 HG2 PRO 30 1HG PRO 30 -28.038 10.130 -21.807 279 HG3 PRO 30 2HG PRO 30 -29.251 9.729 -20.578 280 HD2 PRO 30 1HD PRO 30 -26.590 9.594 -20.096 281 HD3 PRO 30 2HD PRO 30 -27.757 8.504 -19.321 282 H LYS 31 HN LYS 31 -25.694 6.132 -23.300 283 HA LYS 31 HA LYS 31 -25.794 7.783 -25.727 284 HB2 LYS 31 1HB LYS 31 -23.826 8.063 -23.804 285 HB3 LYS 31 2HB LYS 31 -23.084 6.986 -24.980 286 HG2 LYS 31 1HG LYS 31 -24.432 9.495 -25.882 287 HG3 LYS 31 2HG LYS 31 -22.793 9.542 -25.229 288 HD2 LYS 31 1HD LYS 31 -23.652 7.751 -27.497 289 HD3 LYS 31 2HD LYS 31 -22.919 9.342 -27.721 290 HE2 LYS 31 1HE LYS 31 -21.058 8.389 -26.162 291 HE3 LYS 31 2HE LYS 31 -21.711 6.826 -26.649 292 HZ1 LYS 31 3HZ LYS 31 -20.406 8.880 -28.311 293 HZ2 LYS 31 1HZ LYS 31 -21.460 7.759 -29.014 294 HZ3 LYS 31 2HZ LYS 31 -20.073 7.225 -28.207 295 H GLN 32 HN GLN 32 -24.659 4.821 -24.173 296 HA GLN 32 HA GLN 32 -24.416 2.698 -24.954 297 HB2 GLN 32 1HB GLN 32 -25.751 3.563 -27.510 298 HB3 GLN 32 2HB GLN 32 -25.729 1.963 -26.782 299 HG2 GLN 32 1HG GLN 32 -27.118 4.364 -25.615 300 HG3 GLN 32 2HG GLN 32 -27.900 3.104 -26.569 301 HE21 GLN 32 1HE2 GLN 32 -25.937 3.585 -23.666 302 HE22 GLN 32 2HE2 GLN 32 -26.665 2.314 -22.750 303 H GLY 33 HN GLY 33 -23.967 1.788 -27.609 304 HA2 GLY 33 2HA GLY 33 -22.380 2.684 -29.410 305 HA3 GLY 33 3HA GLY 33 -21.298 2.959 -28.052 306 H LYS 34 HN LYS 34 -20.893 1.277 -30.392 307 HA LYS 34 HA LYS 34 -21.269 -1.432 -29.949 308 HB2 LYS 34 1HB LYS 34 -19.398 -1.800 -31.468 309 HB3 LYS 34 2HB LYS 34 -20.418 -0.494 -32.057 310 HG2 LYS 34 1HG LYS 34 -18.599 0.891 -30.606 311 HG3 LYS 34 2HG LYS 34 -17.620 -0.460 -31.180 312 HD2 LYS 34 1HD LYS 34 -17.399 1.181 -32.841 313 HD3 LYS 34 2HD LYS 34 -18.589 0.050 -33.490 314 HE2 LYS 34 1HE LYS 34 -19.783 1.917 -33.881 315 HE3 LYS 34 2HE LYS 34 -20.205 1.772 -32.175 316 HZ1 LYS 34 3HZ LYS 34 -19.423 4.015 -32.873 317 HZ2 LYS 34 1HZ LYS 34 -17.894 3.349 -33.159 318 HZ3 LYS 34 2HZ LYS 34 -18.541 3.341 -31.597 319 H LYS 35 HN LYS 35 -19.243 -2.952 -29.645 320 HA LYS 35 HA LYS 35 -18.589 -3.008 -26.972 321 HB2 LYS 35 1HB LYS 35 -17.532 -4.306 -29.413 322 HB3 LYS 35 2HB LYS 35 -16.469 -4.324 -28.011 323 HG2 LYS 35 1HG LYS 35 -19.213 -5.076 -27.384 324 HG3 LYS 35 2HG LYS 35 -18.437 -6.145 -28.554 325 HD2 LYS 35 1HD LYS 35 -17.991 -7.028 -26.387 326 HD3 LYS 35 2HD LYS 35 -16.492 -6.302 -26.972 327 HE2 LYS 35 1HE LYS 35 -17.122 -4.232 -25.689 328 HE3 LYS 35 2HE LYS 35 -18.434 -5.165 -24.970 329 HZ1 LYS 35 3HZ LYS 35 -16.959 -6.519 -23.837 330 HZ2 LYS 35 1HZ LYS 35 -16.215 -5.004 -23.725 331 HZ3 LYS 35 2HZ LYS 35 -15.654 -6.141 -24.844 332 H GLN 36 HN GLN 36 -16.895 -1.420 -29.612 333 HA GLN 36 HA GLN 36 -14.550 -0.767 -28.165 334 HB2 GLN 36 1HB GLN 36 -15.644 -0.252 -30.785 335 HB3 GLN 36 2HB GLN 36 -14.936 1.214 -30.120 336 HG2 GLN 36 1HG GLN 36 -13.546 -1.441 -30.402 337 HG3 GLN 36 2HG GLN 36 -13.330 -0.041 -31.450 338 HE21 GLN 36 1HE2 GLN 36 -12.736 -1.382 -28.294 339 HE22 GLN 36 2HE2 GLN 36 -11.525 -0.246 -27.818 340 H ASP 37 HN ASP 37 -17.443 1.147 -28.969 341 HA ASP 37 HA ASP 37 -16.729 3.497 -27.666 342 HB2 ASP 37 1HB ASP 37 -19.103 2.385 -28.845 343 HB3 ASP 37 2HB ASP 37 -19.518 3.191 -27.335 344 H LEU 38 HN LEU 38 -18.570 0.725 -26.413 345 HA LEU 38 HA LEU 38 -19.063 1.703 -23.854 346 HB2 LEU 38 1HB LEU 38 -18.708 -1.080 -24.920 347 HB3 LEU 38 2HB LEU 38 -19.071 -0.777 -23.222 348 HG LEU 38 HG LEU 38 -20.805 -0.172 -25.611 349 HD11 LEU 38 1HD1 LEU 38 -22.195 -1.845 -24.866 350 HD12 LEU 38 2HD1 LEU 38 -21.599 -1.753 -23.209 351 HD13 LEU 38 3HD1 LEU 38 -20.611 -2.507 -24.461 352 HD21 LEU 38 3HD2 LEU 38 -22.424 0.518 -23.698 353 HD22 LEU 38 1HD2 LEU 38 -21.238 1.677 -24.298 354 HD23 LEU 38 2HD2 LEU 38 -20.940 0.811 -22.791 355 H ILE 39 HN ILE 39 -16.398 -0.411 -24.923 356 HA ILE 39 HA ILE 39 -15.024 -0.635 -22.547 357 HB ILE 39 HB ILE 39 -14.217 -0.733 -25.401 358 HG12 ILE 39 1HG1 ILE 39 -13.149 -2.740 -23.599 359 HG13 ILE 39 2HG1 ILE 39 -14.887 -2.553 -23.387 360 HG21 ILE 39 1HG2 ILE 39 -11.827 -1.177 -24.587 361 HG22 ILE 39 2HG2 ILE 39 -12.360 0.499 -24.707 362 HG23 ILE 39 3HG2 ILE 39 -12.303 -0.298 -23.135 363 HD11 ILE 39 3HD1 ILE 39 -14.322 -2.621 -26.169 364 HD12 ILE 39 1HD1 ILE 39 -13.503 -3.974 -25.390 365 HD13 ILE 39 2HD1 ILE 39 -15.243 -3.766 -25.195 366 H ASP 40 HN ASP 40 -14.462 1.819 -25.074 367 HA ASP 40 HA ASP 40 -12.548 3.296 -23.656 368 HB2 ASP 40 1HB ASP 40 -13.562 3.413 -26.173 369 HB3 ASP 40 2HB ASP 40 -14.326 4.827 -25.451 370 H ARG 41 HN ARG 41 -16.022 3.258 -23.489 371 HA ARG 41 HA ARG 41 -16.415 5.748 -22.222 372 HB2 ARG 41 1HB ARG 41 -18.014 3.547 -23.022 373 HB3 ARG 41 2HB ARG 41 -18.348 3.838 -21.320 374 HG2 ARG 41 1HG ARG 41 -18.588 5.816 -23.575 375 HG3 ARG 41 2HG ARG 41 -19.902 5.081 -22.655 376 HD2 ARG 41 1HD ARG 41 -19.795 6.786 -21.235 377 HD3 ARG 41 2HD ARG 41 -18.184 6.244 -20.766 378 HE ARG 41 HE ARG 41 -18.205 7.852 -23.145 379 HH11 ARG 41 1HH1 ARG 41 -18.130 7.901 -19.665 380 HH12 ARG 41 2HH1 ARG 41 -17.379 9.459 -19.573 381 HH21 ARG 41 1HH2 ARG 41 -17.217 9.905 -23.037 382 HH22 ARG 41 2HH2 ARG 41 -16.861 10.599 -21.492 383 H VAL 42 HN VAL 42 -16.186 2.460 -20.864 384 HA VAL 42 HA VAL 42 -16.382 3.159 -18.171 385 HB VAL 42 HB VAL 42 -15.055 0.842 -19.551 386 HG11 VAL 42 1HG1 VAL 42 -15.074 -0.112 -17.116 387 HG12 VAL 42 2HG1 VAL 42 -13.720 0.872 -17.676 388 HG13 VAL 42 3HG1 VAL 42 -14.974 1.589 -16.664 389 HG21 VAL 42 3HG2 VAL 42 -17.683 1.448 -18.467 390 HG22 VAL 42 1HG2 VAL 42 -17.185 0.177 -19.583 391 HG23 VAL 42 2HG2 VAL 42 -17.025 -0.064 -17.843 392 H LEU 43 HN LEU 43 -13.441 2.610 -20.110 393 HA LEU 43 HA LEU 43 -11.571 3.208 -18.142 394 HB2 LEU 43 1HB LEU 43 -11.276 3.858 -21.066 395 HB3 LEU 43 2HB LEU 43 -9.991 3.527 -19.907 396 HG LEU 43 HG LEU 43 -11.891 1.606 -21.211 397 HD11 LEU 43 1HD1 LEU 43 -9.297 0.600 -21.062 398 HD12 LEU 43 2HD1 LEU 43 -9.107 2.310 -21.448 399 HD13 LEU 43 3HD1 LEU 43 -10.099 1.278 -22.479 400 HD21 LEU 43 3HD2 LEU 43 -12.003 1.051 -18.875 401 HD22 LEU 43 1HD2 LEU 43 -10.249 1.152 -18.723 402 HD23 LEU 43 2HD2 LEU 43 -10.977 -0.130 -19.691 403 H ALA 44 HN ALA 44 -13.325 5.345 -20.330 404 HA ALA 44 HA ALA 44 -11.907 7.711 -19.730 405 HB1 ALA 44 1HB ALA 44 -13.355 7.454 -21.701 406 HB2 ALA 44 2HB ALA 44 -14.768 7.436 -20.645 407 HB3 ALA 44 3HB ALA 44 -13.766 8.883 -20.753 408 H LEU 45 HN LEU 45 -14.529 6.045 -18.136 409 HA LEU 45 HA LEU 45 -15.265 8.230 -16.438 410 HB2 LEU 45 1HB LEU 45 -15.806 5.278 -16.147 411 HB3 LEU 45 2HB LEU 45 -16.585 6.564 -15.226 412 HG LEU 45 HG LEU 45 -16.818 6.623 -18.192 413 HD11 LEU 45 1HD1 LEU 45 -17.659 4.389 -16.569 414 HD12 LEU 45 2HD1 LEU 45 -17.713 4.595 -18.319 415 HD13 LEU 45 3HD1 LEU 45 -19.037 5.195 -17.320 416 HD21 LEU 45 3HD2 LEU 45 -17.851 8.084 -16.082 417 HD22 LEU 45 1HD2 LEU 45 -19.183 7.034 -16.564 418 HD23 LEU 45 2HD2 LEU 45 -18.427 8.099 -17.749 419 H LEU 46 HN LEU 46 -13.430 5.221 -15.944 420 HA LEU 46 HA LEU 46 -12.714 5.872 -13.258 421 HB2 LEU 46 1HB LEU 46 -11.160 3.945 -14.924 422 HB3 LEU 46 2HB LEU 46 -11.571 3.864 -13.213 423 HG LEU 46 HG LEU 46 -13.314 3.217 -15.578 424 HD11 LEU 46 1HD1 LEU 46 -12.609 1.603 -13.135 425 HD12 LEU 46 2HD1 LEU 46 -11.757 1.494 -14.675 426 HD13 LEU 46 3HD1 LEU 46 -13.461 1.052 -14.577 427 HD21 LEU 46 3HD2 LEU 46 -14.997 4.124 -14.397 428 HD22 LEU 46 1HD2 LEU 46 -14.067 4.155 -12.899 429 HD23 LEU 46 2HD2 LEU 46 -14.856 2.665 -13.415 430 H THR 47 HN THR 47 -11.615 6.934 -16.258 431 HA THR 47 HA THR 47 -8.971 7.652 -15.188 432 HB THR 47 HB THR 47 -9.951 7.654 -18.050 433 HG1 THR 47 1HG THR 47 -8.423 5.910 -18.212 434 HG21 THR 47 3HG2 THR 47 -7.573 8.073 -18.608 435 HG22 THR 47 1HG2 THR 47 -7.235 8.293 -16.891 436 HG23 THR 47 2HG2 THR 47 -8.314 9.410 -17.728 437 H ASP 48 HN ASP 48 -11.121 9.163 -17.589 438 HA ASP 48 HA ASP 48 -10.336 11.791 -16.915 439 HB2 ASP 48 1HB ASP 48 -12.110 10.522 -18.811 440 HB3 ASP 48 2HB ASP 48 -12.866 11.957 -18.122 441 H GLU 49 HN GLU 49 -12.438 9.628 -15.386 442 HA GLU 49 HA GLU 49 -13.541 11.819 -13.762 443 HB2 GLU 49 1HB GLU 49 -14.976 9.838 -15.315 444 HB3 GLU 49 2HB GLU 49 -15.395 9.732 -13.611 445 HG2 GLU 49 1HG GLU 49 -15.359 12.475 -14.415 446 HG3 GLU 49 2HG GLU 49 -16.364 11.542 -15.523 447 H GLN 50 HN GLN 50 -11.233 9.946 -13.458 448 HA GLN 50 HA GLN 50 -11.685 7.906 -11.652 449 HB2 GLN 50 1HB GLN 50 -9.389 8.009 -11.111 450 HB3 GLN 50 2HB GLN 50 -9.500 8.562 -12.777 451 HG2 GLN 50 1HG GLN 50 -9.612 10.621 -10.654 452 HG3 GLN 50 2HG GLN 50 -8.065 9.824 -10.937 453 HE21 GLN 50 1HE2 GLN 50 -10.564 11.813 -12.344 454 HE22 GLN 50 2HE2 GLN 50 -9.617 12.419 -13.655 455 H GLY 51 HN GLY 51 -11.916 11.312 -11.176 456 HA2 GLY 51 2HA GLY 51 -12.654 12.530 -9.371 457 HA3 GLY 51 3HA GLY 51 -13.090 11.007 -8.610 458 H GLN 52 HN GLN 52 -9.925 12.246 -9.643 459 HA GLN 52 HA GLN 52 -8.947 11.747 -6.921 460 HB2 GLN 52 1HB GLN 52 -7.786 11.499 -9.605 461 HB3 GLN 52 2HB GLN 52 -6.718 12.261 -8.435 462 HG2 GLN 52 1HG GLN 52 -8.016 9.887 -7.381 463 HG3 GLN 52 2HG GLN 52 -7.053 9.560 -8.821 464 HE21 GLN 52 1HE2 GLN 52 -6.619 11.846 -6.150 465 HE22 GLN 52 2HE2 GLN 52 -5.061 11.269 -5.680 466 H ARG 53 HN ARG 53 -9.514 14.235 -9.247 467 HA ARG 53 HA ARG 53 -8.168 16.187 -7.497 468 HB2 ARG 53 1HB ARG 53 -7.990 17.647 -9.455 469 HB3 ARG 53 2HB ARG 53 -7.202 16.101 -9.743 470 HG2 ARG 53 1HG ARG 53 -9.344 15.387 -10.897 471 HG3 ARG 53 2HG ARG 53 -9.816 17.087 -10.837 472 HD2 ARG 53 1HD ARG 53 -8.818 16.999 -12.899 473 HD3 ARG 53 2HD ARG 53 -7.444 17.455 -11.894 474 HE ARG 53 HE ARG 53 -7.315 14.757 -11.914 475 HH11 ARG 53 1HH1 ARG 53 -7.572 17.150 -14.429 476 HH12 ARG 53 2HH1 ARG 53 -6.713 16.203 -15.599 477 HH21 ARG 53 1HH2 ARG 53 -6.184 13.500 -13.444 478 HH22 ARG 53 2HH2 ARG 53 -5.925 14.126 -15.037 479 H HIS 54 HN HIS 54 -10.948 15.022 -7.404 480 HA HIS 54 HA HIS 54 -12.321 17.310 -6.578 481 HB2 HIS 54 1HB HIS 54 -12.320 17.101 -9.360 482 HB3 HIS 54 2HB HIS 54 -13.897 16.486 -8.874 483 HD1 HIS 54 1HD HIS 54 -14.221 18.462 -6.412 484 HD2 HIS 54 2HD HIS 54 -13.236 19.530 -10.304 485 HE1 HIS 54 1HE HIS 54 -14.900 20.873 -6.640 486 H HIS 55 HN HIS 55 -14.920 16.700 -6.808 487 HA HIS 55 HA HIS 55 -15.276 14.573 -5.022 488 HB2 HIS 55 1HB HIS 55 -17.688 14.844 -5.470 489 HB3 HIS 55 2HB HIS 55 -16.891 16.392 -5.206 490 HD1 HIS 55 1HD HIS 55 -17.522 18.129 -6.838 491 HD2 HIS 55 2HD HIS 55 -17.899 14.312 -8.434 492 HE1 HIS 55 1HE HIS 55 -18.450 18.456 -9.152 493 H GLY 56 HN GLY 56 -17.301 12.984 -5.811 494 HA2 GLY 56 2HA GLY 56 -17.830 11.654 -7.897 495 HA3 GLY 56 3HA GLY 56 -16.089 11.444 -8.021 496 H TRP 57 HN TRP 57 -17.922 11.374 -5.020 497 HA TRP 57 HA TRP 57 -17.223 8.523 -4.760 498 HB2 TRP 57 1HB TRP 57 -17.813 9.783 -2.231 499 HB3 TRP 57 2HB TRP 57 -16.348 8.951 -2.746 500 HD1 TRP 57 HD TRP 57 -14.376 10.469 -3.782 501 HE1 TRP 57 1HE TRP 57 -13.848 12.975 -3.525 502 HE3 TRP 57 3HE TRP 57 -18.882 12.064 -1.969 503 HZ2 TRP 57 2HZ TRP 57 -15.168 15.318 -2.666 504 HZ3 TRP 57 3HZ TRP 57 -19.167 14.453 -1.454 505 HH2 TRP 57 HH TRP 57 -17.347 16.045 -1.796 506 H GLY 58 HN GLY 58 -19.519 10.838 -3.292 507 HA2 GLY 58 2HA GLY 58 -21.738 10.614 -2.747 508 HA3 GLY 58 3HA GLY 58 -21.860 9.673 -4.227 509 H ARG 59 HN ARG 59 -19.735 8.572 -1.733 510 HA ARG 59 HA ARG 59 -19.698 6.550 -0.652 511 HB2 ARG 59 1HB ARG 59 -20.920 7.984 0.921 512 HB3 ARG 59 2HB ARG 59 -22.438 7.549 0.147 513 HG2 ARG 59 1HG ARG 59 -22.603 5.658 1.305 514 HG3 ARG 59 2HG ARG 59 -20.920 5.226 0.999 515 HD2 ARG 59 1HD ARG 59 -21.425 5.534 3.401 516 HD3 ARG 59 2HD ARG 59 -20.179 6.631 2.807 517 HE ARG 59 HE ARG 59 -22.516 8.034 2.577 518 HH11 ARG 59 1HH1 ARG 59 -20.825 6.436 5.167 519 HH12 ARG 59 2HH1 ARG 59 -21.415 7.512 6.390 520 HH21 ARG 59 1HH2 ARG 59 -23.300 9.456 4.179 521 HH22 ARG 59 2HH2 ARG 59 -22.824 9.228 5.827 522 H LYS 60 HN LYS 60 -19.905 5.641 -2.959 523 HA LYS 60 HA LYS 60 -20.626 3.920 -4.261 524 HB2 LYS 60 1HB LYS 60 -20.922 2.906 -1.879 525 HB3 LYS 60 2HB LYS 60 -22.639 3.152 -2.171 526 HG2 LYS 60 1HG LYS 60 -22.771 1.406 -3.552 527 HG3 LYS 60 2HG LYS 60 -21.267 1.823 -4.376 528 HD2 LYS 60 1HD LYS 60 -20.132 0.298 -3.216 529 HD3 LYS 60 2HD LYS 60 -20.749 0.923 -1.685 530 HE2 LYS 60 1HE LYS 60 -22.464 -0.795 -3.439 531 HE3 LYS 60 2HE LYS 60 -21.276 -1.521 -2.357 532 HZ1 LYS 60 3HZ LYS 60 -22.709 0.377 -0.899 533 HZ2 LYS 60 1HZ LYS 60 -22.719 -1.304 -0.713 534 HZ3 LYS 60 2HZ LYS 60 -23.839 -0.561 -1.740 535 H ASN 61 HN ASN 61 -21.546 5.933 -5.366 536 HA ASN 61 HA ASN 61 -24.439 6.140 -5.284 537 HB2 ASN 61 1HB ASN 61 -23.826 7.789 -7.277 538 HB3 ASN 61 2HB ASN 61 -23.610 8.258 -5.593 539 HD21 ASN 61 1HD2 ASN 61 -21.653 6.047 -7.516 540 HD22 ASN 61 2HD2 ASN 61 -20.199 6.977 -7.434 541 H SER 62 HN SER 62 -22.702 3.820 -6.441 542 HA SER 62 HA SER 62 -22.760 2.369 -8.202 543 HB2 SER 62 1HB SER 62 -25.613 3.360 -8.130 544 HB3 SER 62 2HB SER 62 -25.086 2.034 -9.166 545 HG SER 62 HG SER 62 -24.951 0.764 -7.481 546 H LEU 63 HN LEU 63 -21.675 4.831 -8.897 547 HA LEU 63 HA LEU 63 -22.057 4.778 -11.745 548 HB2 LEU 63 1HB LEU 63 -22.477 7.263 -11.857 549 HB3 LEU 63 2HB LEU 63 -23.832 6.263 -11.339 550 HG LEU 63 HG LEU 63 -22.900 6.917 -8.938 551 HD11 LEU 63 1HD1 LEU 63 -21.844 9.008 -10.800 552 HD12 LEU 63 2HD1 LEU 63 -21.052 8.226 -9.432 553 HD13 LEU 63 3HD1 LEU 63 -22.317 9.422 -9.152 554 HD21 LEU 63 3HD2 LEU 63 -24.509 8.808 -8.960 555 HD22 LEU 63 1HD2 LEU 63 -25.157 7.322 -9.655 556 HD23 LEU 63 2HD2 LEU 63 -24.632 8.634 -10.711 557 H THR 64 HN THR 64 -19.971 4.459 -9.626 558 HA THR 64 HA THR 64 -17.998 6.294 -10.809 559 HB THR 64 HB THR 64 -16.856 6.040 -8.441 560 HG1 THR 64 1HG THR 64 -18.219 4.942 -7.205 561 HG21 THR 64 3HG2 THR 64 -17.191 8.227 -8.903 562 HG22 THR 64 1HG2 THR 64 -18.532 8.056 -7.771 563 HG23 THR 64 2HG2 THR 64 -18.825 7.957 -9.507 564 H LYS 65 HN LYS 65 -15.691 5.462 -9.972 565 HA LYS 65 HA LYS 65 -15.108 3.140 -11.334 566 HB2 LYS 65 1HB LYS 65 -12.969 3.119 -10.074 567 HB3 LYS 65 2HB LYS 65 -13.372 4.704 -10.722 568 HG2 LYS 65 1HG LYS 65 -14.338 5.221 -8.426 569 HG3 LYS 65 2HG LYS 65 -13.509 3.762 -7.877 570 HD2 LYS 65 1HD LYS 65 -11.602 5.169 -9.348 571 HD3 LYS 65 2HD LYS 65 -12.448 6.398 -8.405 572 HE2 LYS 65 1HE LYS 65 -11.854 5.428 -6.378 573 HE3 LYS 65 2HE LYS 65 -11.522 3.860 -7.114 574 HZ1 LYS 65 3HZ LYS 65 -9.400 4.457 -7.133 575 HZ2 LYS 65 1HZ LYS 65 -9.759 6.045 -6.673 576 HZ3 LYS 65 2HZ LYS 65 -9.775 5.614 -8.308 577 H GLU 66 HN GLU 66 -15.907 3.540 -7.917 578 HA GLU 66 HA GLU 66 -15.354 0.933 -7.063 579 HB2 GLU 66 1HB GLU 66 -16.271 3.223 -5.868 580 HB3 GLU 66 2HB GLU 66 -17.691 2.188 -5.802 581 HG2 GLU 66 1HG GLU 66 -15.871 0.448 -4.929 582 HG3 GLU 66 2HG GLU 66 -15.095 1.944 -4.415 583 H ALA 67 HN ALA 67 -18.295 2.344 -8.434 584 HA ALA 67 HA ALA 67 -19.932 0.064 -8.131 585 HB1 ALA 67 1HB ALA 67 -20.685 2.426 -8.605 586 HB2 ALA 67 2HB ALA 67 -20.231 2.141 -10.286 587 HB3 ALA 67 3HB ALA 67 -21.488 1.159 -9.534 588 H VAL 68 HN VAL 68 -18.124 1.282 -10.950 589 HA VAL 68 HA VAL 68 -18.773 -0.692 -12.773 590 HB VAL 68 HB VAL 68 -16.050 0.592 -12.538 591 HG11 VAL 68 1HG1 VAL 68 -17.308 -1.160 -14.473 592 HG12 VAL 68 2HG1 VAL 68 -16.766 0.352 -15.205 593 HG13 VAL 68 3HG1 VAL 68 -15.622 -0.665 -14.327 594 HG21 VAL 68 3HG2 VAL 68 -17.242 2.140 -14.327 595 HG22 VAL 68 1HG2 VAL 68 -18.676 1.673 -13.412 596 HG23 VAL 68 2HG2 VAL 68 -17.334 2.479 -12.599 597 H ALA 69 HN ALA 69 -16.005 -0.642 -10.531 598 HA ALA 69 HA ALA 69 -15.111 -3.251 -11.239 599 HB1 ALA 69 1HB ALA 69 -13.788 -1.324 -10.154 600 HB2 ALA 69 2HB ALA 69 -14.454 -1.924 -8.635 601 HB3 ALA 69 3HB ALA 69 -13.451 -2.976 -9.634 602 H LYS 70 HN LYS 70 -17.454 -2.017 -9.009 603 HA LYS 70 HA LYS 70 -17.566 -4.179 -7.206 604 HB2 LYS 70 1HB LYS 70 -18.618 -2.116 -6.606 605 HB3 LYS 70 2HB LYS 70 -19.631 -2.144 -8.044 606 HG2 LYS 70 1HG LYS 70 -21.196 -3.333 -7.017 607 HG3 LYS 70 2HG LYS 70 -20.018 -4.516 -6.444 608 HD2 LYS 70 1HD LYS 70 -20.423 -1.829 -5.145 609 HD3 LYS 70 2HD LYS 70 -21.292 -3.283 -4.649 610 HE2 LYS 70 1HE LYS 70 -18.739 -4.188 -4.656 611 HE3 LYS 70 2HE LYS 70 -18.488 -2.502 -4.209 612 HZ1 LYS 70 3HZ LYS 70 -19.371 -2.831 -2.201 613 HZ2 LYS 70 1HZ LYS 70 -19.140 -4.481 -2.496 614 HZ3 LYS 70 2HZ LYS 70 -20.647 -3.772 -2.791 615 H ILE 71 HN ILE 71 -19.491 -3.470 -10.115 616 HA ILE 71 HA ILE 71 -21.008 -5.861 -10.005 617 HB ILE 71 HB ILE 71 -20.426 -4.305 -12.517 618 HG12 ILE 71 1HG1 ILE 71 -21.070 -2.735 -10.728 619 HG13 ILE 71 2HG1 ILE 71 -22.319 -2.861 -11.962 620 HG21 ILE 71 1HG2 ILE 71 -22.617 -6.133 -11.597 621 HG22 ILE 71 2HG2 ILE 71 -22.867 -4.988 -12.914 622 HG23 ILE 71 3HG2 ILE 71 -21.626 -6.233 -13.053 623 HD11 ILE 71 3HD1 ILE 71 -22.484 -3.343 -9.144 624 HD12 ILE 71 1HD1 ILE 71 -23.772 -3.250 -10.345 625 HD13 ILE 71 2HD1 ILE 71 -22.959 -4.785 -10.041 626 H VAL 72 HN VAL 72 -18.261 -4.915 -12.074 627 HA VAL 72 HA VAL 72 -17.958 -7.321 -13.433 628 HB VAL 72 HB VAL 72 -15.696 -5.496 -12.618 629 HG11 VAL 72 1HG1 VAL 72 -15.182 -6.368 -15.145 630 HG12 VAL 72 2HG1 VAL 72 -14.530 -7.096 -13.676 631 HG13 VAL 72 3HG1 VAL 72 -15.968 -7.778 -14.435 632 HG21 VAL 72 3HG2 VAL 72 -16.703 -5.035 -15.271 633 HG22 VAL 72 1HG2 VAL 72 -17.985 -4.818 -14.080 634 HG23 VAL 72 2HG2 VAL 72 -16.488 -3.895 -13.943 635 H ASP 73 HN ASP 73 -16.816 -6.352 -10.257 636 HA ASP 73 HA ASP 73 -15.061 -8.541 -9.845 637 HB2 ASP 73 1HB ASP 73 -14.839 -6.544 -8.499 638 HB3 ASP 73 2HB ASP 73 -16.478 -6.732 -7.880 639 H ASP 74 HN ASP 74 -18.404 -7.931 -8.793 640 HA ASP 74 HA ASP 74 -18.744 -10.426 -7.506 641 HB2 ASP 74 1HB ASP 74 -20.705 -8.404 -8.588 642 HB3 ASP 74 2HB ASP 74 -21.221 -9.878 -7.774 643 H THR 75 HN THR 75 -19.416 -9.303 -10.784 644 HA THR 75 HA THR 75 -20.814 -11.560 -11.694 645 HB THR 75 HB THR 75 -19.001 -9.897 -13.437 646 HG1 THR 75 1HG THR 75 -21.692 -9.216 -12.897 647 HG21 THR 75 3HG2 THR 75 -21.693 -11.134 -14.011 648 HG22 THR 75 1HG2 THR 75 -20.154 -11.908 -14.386 649 HG23 THR 75 2HG2 THR 75 -20.589 -10.387 -15.165 650 H TYR 76 HN TYR 76 -17.353 -10.761 -11.880 651 HA TYR 76 HA TYR 76 -16.601 -13.161 -13.185 652 HB2 TYR 76 1HB TYR 76 -14.647 -12.088 -13.348 653 HB3 TYR 76 2HB TYR 76 -15.331 -10.778 -12.392 654 HD1 TYR 76 1HD TYR 76 -13.384 -13.918 -12.195 655 HD2 TYR 76 2HD TYR 76 -14.619 -10.389 -10.165 656 HE1 TYR 76 1HE TYR 76 -11.761 -14.386 -10.407 657 HE2 TYR 76 2HE TYR 76 -12.998 -10.846 -8.372 658 HH TYR 76 HH TYR 76 -11.844 -13.150 -7.479 659 H ARG 77 HN ARG 77 -16.640 -12.167 -9.787 660 HA ARG 77 HA ARG 77 -15.369 -14.349 -8.647 661 HB2 ARG 77 1HB ARG 77 -17.132 -12.219 -7.749 662 HB3 ARG 77 2HB ARG 77 -17.404 -13.710 -6.857 663 HG2 ARG 77 1HG ARG 77 -15.633 -13.275 -5.610 664 HG3 ARG 77 2HG ARG 77 -14.609 -13.341 -7.046 665 HD2 ARG 77 1HD ARG 77 -14.422 -11.215 -5.768 666 HD3 ARG 77 2HD ARG 77 -14.913 -11.000 -7.447 667 HE ARG 77 HE ARG 77 -16.948 -10.211 -6.727 668 HH11 ARG 77 1HH1 ARG 77 -15.239 -11.654 -4.060 669 HH12 ARG 77 2HH1 ARG 77 -16.349 -11.072 -2.864 670 HH21 ARG 77 1HH2 ARG 77 -18.416 -9.438 -5.162 671 HH22 ARG 77 2HH2 ARG 77 -18.156 -9.812 -3.492 672 H LYS 78 HN LYS 78 -18.836 -13.930 -9.327 673 HA LYS 78 HA LYS 78 -19.457 -16.619 -8.509 674 HB2 LYS 78 1HB LYS 78 -20.917 -14.309 -8.743 675 HB3 LYS 78 2HB LYS 78 -21.440 -15.213 -10.158 676 HG2 LYS 78 1HG LYS 78 -22.715 -16.541 -8.926 677 HG3 LYS 78 2HG LYS 78 -21.381 -16.906 -7.829 678 HD2 LYS 78 1HD LYS 78 -23.184 -15.894 -6.584 679 HD3 LYS 78 2HD LYS 78 -21.822 -14.773 -6.651 680 HE2 LYS 78 1HE LYS 78 -22.889 -13.463 -8.334 681 HE3 LYS 78 2HE LYS 78 -24.155 -14.671 -8.554 682 HZ1 LYS 78 3HZ LYS 78 -25.240 -13.226 -7.207 683 HZ2 LYS 78 1HZ LYS 78 -23.833 -12.678 -6.442 684 HZ3 LYS 78 2HZ LYS 78 -24.508 -14.166 -6.005 685 H MET 79 HN MET 79 -18.612 -15.004 -11.455 686 HA MET 79 HA MET 79 -19.697 -16.719 -13.359 687 HB2 MET 79 1HB MET 79 -18.740 -14.740 -14.178 688 HB3 MET 79 2HB MET 79 -17.227 -15.008 -13.322 689 HG2 MET 79 1HG MET 79 -16.439 -16.482 -14.888 690 HG3 MET 79 2HG MET 79 -18.053 -16.941 -15.426 691 HE1 MET 79 3HE MET 79 -14.930 -15.091 -16.333 692 HE2 MET 79 1HE MET 79 -15.451 -13.526 -16.959 693 HE3 MET 79 2HE MET 79 -15.588 -13.877 -15.236 694 H GLN 80 HN GLN 80 -16.371 -16.805 -12.061 695 HA GLN 80 HA GLN 80 -16.296 -19.553 -11.597 696 HB2 GLN 80 1HB GLN 80 -16.406 -19.219 -14.260 697 HB3 GLN 80 2HB GLN 80 -14.668 -19.087 -14.032 698 HG2 GLN 80 1HG GLN 80 -15.273 -21.296 -12.546 699 HG3 GLN 80 2HG GLN 80 -16.411 -21.420 -13.887 700 HE21 GLN 80 1HE2 GLN 80 -13.067 -20.263 -13.635 701 HE22 GLN 80 2HE2 GLN 80 -12.434 -21.301 -14.863 702 H ILE 81 HN ILE 81 -15.318 -16.870 -10.726 703 HA ILE 81 HA ILE 81 -13.419 -15.840 -9.944 704 HB ILE 81 HB ILE 81 -12.532 -18.612 -9.192 705 HG12 ILE 81 1HG1 ILE 81 -14.727 -16.975 -7.903 706 HG13 ILE 81 2HG1 ILE 81 -14.935 -18.501 -8.754 707 HG21 ILE 81 1HG2 ILE 81 -11.311 -17.617 -7.567 708 HG22 ILE 81 2HG2 ILE 81 -11.386 -16.249 -8.676 709 HG23 ILE 81 3HG2 ILE 81 -12.495 -16.336 -7.309 710 HD11 ILE 81 3HD1 ILE 81 -14.141 -17.985 -6.012 711 HD12 ILE 81 1HD1 ILE 81 -14.798 -19.446 -6.750 712 HD13 ILE 81 2HD1 ILE 81 -13.068 -19.113 -6.840 713 H GLN 82 HN GLN 82 -13.194 -16.450 -12.701 714 HA GLN 82 HA GLN 82 -10.942 -17.795 -13.532 715 HB2 GLN 82 1HB GLN 82 -12.528 -16.846 -15.104 716 HB3 GLN 82 2HB GLN 82 -12.089 -15.216 -14.612 717 HG2 GLN 82 1HG GLN 82 -11.019 -15.626 -16.675 718 HG3 GLN 82 2HG GLN 82 -9.772 -15.692 -15.430 719 HE21 GLN 82 1HE2 GLN 82 -9.255 -17.889 -14.611 720 HE22 GLN 82 2HE2 GLN 82 -9.231 -19.186 -15.752 721 H CYS 83 HN CYS 83 -9.052 -17.657 -12.468 722 HA CYS 83 HA CYS 83 -7.205 -16.773 -11.449 723 HB2 CYS 83 1HB CYS 83 -7.530 -15.030 -13.890 724 HB3 CYS 83 2HB CYS 83 -6.120 -14.940 -12.842 725 HG CYS 83 HG CYS 83 -6.817 -18.044 -13.869 726 H ALA 84 HN ALA 84 -8.223 -16.062 -9.528 727 HA ALA 84 HA ALA 84 -9.445 -13.531 -9.238 728 HB1 ALA 84 1HB ALA 84 -9.550 -13.985 -6.954 729 HB2 ALA 84 2HB ALA 84 -9.588 -15.583 -7.700 730 HB3 ALA 84 3HB ALA 84 -8.093 -14.978 -6.987 731 HA PRO 85 HA PRO 85 -5.633 -11.179 -9.470 732 HB2 PRO 85 1HB PRO 85 -6.847 -8.751 -9.407 733 HB3 PRO 85 2HB PRO 85 -6.762 -9.745 -10.866 734 HG2 PRO 85 1HG PRO 85 -9.017 -9.421 -8.925 735 HG3 PRO 85 2HG PRO 85 -9.065 -9.471 -10.697 736 HD2 PRO 85 1HD PRO 85 -9.697 -11.610 -9.161 737 HD3 PRO 85 2HD PRO 85 -8.943 -11.772 -10.760 738 H ASP 86 HN ASP 86 -7.837 -11.544 -6.956 739 HA ASP 86 HA ASP 86 -7.708 -11.187 -4.712 740 HB2 ASP 86 1HB ASP 86 -5.206 -11.749 -5.309 741 HB3 ASP 86 2HB ASP 86 -4.954 -10.042 -4.957 742 H LEU 87 HN LEU 87 -9.183 -9.375 -5.717 743 HA LEU 87 HA LEU 87 -8.443 -6.728 -5.877 744 HB2 LEU 87 1HB LEU 87 -10.665 -7.595 -6.452 745 HB3 LEU 87 2HB LEU 87 -11.010 -7.827 -4.739 746 HG LEU 87 HG LEU 87 -10.436 -5.192 -4.754 747 HD11 LEU 87 1HD1 LEU 87 -11.509 -5.873 -7.476 748 HD12 LEU 87 2HD1 LEU 87 -10.102 -4.893 -7.063 749 HD13 LEU 87 3HD1 LEU 87 -11.725 -4.284 -6.740 750 HD21 LEU 87 3HD2 LEU 87 -12.996 -6.694 -5.137 751 HD22 LEU 87 1HD2 LEU 87 -12.992 -4.932 -5.049 752 HD23 LEU 87 2HD2 LEU 87 -12.379 -5.884 -3.696 753 H ALA 88 HN ALA 88 -8.726 -8.725 -3.069 754 HA ALA 88 HA ALA 88 -8.208 -8.374 -0.880 755 HB1 ALA 88 1HB ALA 88 -7.167 -5.706 -0.949 756 HB2 ALA 88 2HB ALA 88 -6.320 -7.228 -0.672 757 HB3 ALA 88 3HB ALA 88 -6.540 -6.628 -2.316 758 H THR 89 HN THR 89 -10.729 -7.347 -2.162 759 HA THR 89 HA THR 89 -12.648 -6.330 -1.476 760 HB THR 89 HB THR 89 -11.391 -5.709 1.182 761 HG1 THR 89 1HG THR 89 -10.871 -7.829 1.005 762 HG21 THR 89 3HG2 THR 89 -14.086 -5.886 0.053 763 HG22 THR 89 1HG2 THR 89 -13.510 -5.023 1.479 764 HG23 THR 89 2HG2 THR 89 -13.898 -6.741 1.584 765 H ARG 90 HN ARG 90 -10.380 -4.815 -2.638 766 HA ARG 90 HA ARG 90 -9.831 -2.672 -3.163 767 HB2 ARG 90 1HB ARG 90 -12.666 -2.681 -2.600 768 HB3 ARG 90 2HB ARG 90 -11.955 -1.129 -2.177 769 HG2 ARG 90 1HG ARG 90 -11.613 -2.472 -4.848 770 HG3 ARG 90 2HG ARG 90 -12.836 -1.251 -4.492 771 HD2 ARG 90 1HD ARG 90 -11.365 0.382 -4.814 772 HD3 ARG 90 2HD ARG 90 -10.268 -0.325 -3.628 773 HE ARG 90 HE ARG 90 -10.122 -1.694 -6.114 774 HH11 ARG 90 1HH1 ARG 90 -9.115 1.213 -4.483 775 HH12 ARG 90 2HH1 ARG 90 -7.704 1.430 -5.463 776 HH21 ARG 90 1HH2 ARG 90 -8.266 -1.419 -7.411 777 HH22 ARG 90 2HH2 ARG 90 -7.222 -0.067 -7.129 778 H SER 91 HN SER 91 -9.299 -3.783 -0.417 779 HA SER 91 HA SER 91 -9.503 -1.759 1.515 780 HB2 SER 91 1HB SER 91 -8.834 -4.276 1.748 781 HB3 SER 91 2HB SER 91 -7.195 -3.679 1.492 782 HG SER 91 HG SER 91 -7.556 -3.645 3.673 783 H HIS 92 HN HIS 92 -7.165 -2.339 -1.020 784 HA HIS 92 HA HIS 92 -5.253 -0.433 -0.051 785 HB2 HIS 92 1HB HIS 92 -5.547 -2.133 -2.478 786 HB3 HIS 92 2HB HIS 92 -4.506 -0.717 -2.597 787 HD1 HIS 92 1HD HIS 92 -4.797 -2.925 0.455 788 HD2 HIS 92 2HD HIS 92 -2.084 -2.005 -2.554 789 HE1 HIS 92 1HE HIS 92 -2.649 -4.050 1.120 790 H SER 93 HN SER 93 -7.110 1.184 0.209 791 HA SER 93 HA SER 93 -6.805 3.203 -1.758 792 HB2 SER 93 1HB SER 93 -8.804 1.347 -2.371 793 HB3 SER 93 2HB SER 93 -9.668 2.729 -1.698 794 HG SER 93 HG SER 93 -9.441 3.193 -3.820 795 H GLY 94 HN GLY 94 -7.355 5.190 -0.963 796 HA2 GLY 94 2HA GLY 94 -8.116 5.266 1.841 797 HA3 GLY 94 3HA GLY 94 -7.542 6.618 0.877 798 H SER 95 HN SER 95 -8.985 8.085 0.242 799 HA SER 95 HA SER 95 -10.967 9.106 -0.229 800 HB2 SER 95 1HB SER 95 -11.300 6.509 -1.216 801 HB3 SER 95 2HB SER 95 -12.747 6.816 -0.256 802 HG SER 95 HG SER 95 -11.850 8.802 -2.014 803 H ASP 96 HN ASP 96 -10.154 7.819 2.515 804 HA ASP 96 HA ASP 96 -12.718 8.421 3.839 805 HB2 ASP 96 1HB ASP 96 -10.668 6.306 4.451 806 HB3 ASP 96 2HB ASP 96 -11.758 6.899 5.702 807 H PHE 97 HN PHE 97 -9.670 9.512 3.296 808 HA PHE 97 HA PHE 97 -9.396 10.731 5.956 809 HB2 PHE 97 1HB PHE 97 -7.508 9.604 4.150 810 HB3 PHE 97 2HB PHE 97 -7.166 11.327 4.272 811 HD1 PHE 97 1HD PHE 97 -6.665 12.330 6.480 812 HD2 PHE 97 2HD PHE 97 -7.055 8.126 5.940 813 HE1 PHE 97 1HE PHE 97 -5.515 11.951 8.622 814 HE2 PHE 97 2HE PHE 97 -5.907 7.741 8.082 815 HZ PHE 97 HZ PHE 97 -5.136 9.654 9.426 816 H SER 98 HN SER 98 -10.982 11.444 3.314 817 HA SER 98 HA SER 98 -10.929 14.260 3.758 818 HB2 SER 98 1HB SER 98 -9.534 13.131 1.350 819 HB3 SER 98 2HB SER 98 -10.335 14.699 1.253 820 HG SER 98 HG SER 98 -8.308 15.167 1.898 821 H PHE 99 HN PHE 99 -12.980 12.502 3.956 822 HA PHE 99 HA PHE 99 -14.516 12.292 1.560 823 HB2 PHE 99 1HB PHE 99 -14.741 10.743 3.505 824 HB3 PHE 99 2HB PHE 99 -15.467 12.059 4.421 825 HD1 PHE 99 1HD PHE 99 -15.895 10.324 1.145 826 HD2 PHE 99 2HD PHE 99 -17.755 12.157 4.506 827 HE1 PHE 99 1HE PHE 99 -18.104 9.723 0.245 828 HE2 PHE 99 2HE PHE 99 -19.968 11.558 3.612 829 HZ PHE 99 HZ PHE 99 -20.144 10.338 1.480 830 H ARG 100 HN ARG 100 -14.379 14.547 0.890 831 HA ARG 100 HA ARG 100 -15.318 16.745 2.251 832 HB2 ARG 100 1HB ARG 100 -14.972 16.010 -0.572 833 HB3 ARG 100 2HB ARG 100 -16.185 17.253 -0.298 834 HG2 ARG 100 1HG ARG 100 -14.401 18.435 1.097 835 HG3 ARG 100 2HG ARG 100 -13.260 17.322 0.340 836 HD2 ARG 100 1HD ARG 100 -14.599 18.187 -1.833 837 HD3 ARG 100 2HD ARG 100 -14.726 19.612 -0.803 838 HE ARG 100 HE ARG 100 -12.081 18.857 -0.715 839 HH11 ARG 100 1HH1 ARG 100 -14.357 19.816 -3.168 840 HH12 ARG 100 2HH1 ARG 100 -13.152 20.519 -4.196 841 HH21 ARG 100 1HH2 ARG 100 -10.485 19.780 -2.059 842 HH22 ARG 100 2HH2 ARG 100 -10.950 20.497 -3.564 843 HA PRO 101 HA PRO 101 -19.668 16.413 2.710 844 HB2 PRO 101 1HB PRO 101 -20.510 18.939 2.181 845 HB3 PRO 101 2HB PRO 101 -19.634 18.507 3.655 846 HG2 PRO 101 1HG PRO 101 -18.607 19.768 1.141 847 HG3 PRO 101 2HG PRO 101 -18.239 20.174 2.828 848 HD2 PRO 101 1HD PRO 101 -16.574 18.694 1.289 849 HD3 PRO 101 2HD PRO 101 -16.719 18.455 3.042 850 H ILE 102 HN ILE 102 -21.793 17.405 1.534 851 HA ILE 102 HA ILE 102 -21.505 17.167 -1.367 852 HB ILE 102 HB ILE 102 -23.688 15.621 -0.014 853 HG12 ILE 102 1HG1 ILE 102 -20.815 14.842 -0.348 854 HG13 ILE 102 2HG1 ILE 102 -21.906 14.528 0.998 855 HG21 ILE 102 1HG2 ILE 102 -22.325 14.914 -2.575 856 HG22 ILE 102 2HG2 ILE 102 -23.982 14.600 -2.061 857 HG23 ILE 102 3HG2 ILE 102 -23.501 16.228 -2.539 858 HD11 ILE 102 3HD1 ILE 102 -21.660 12.447 0.049 859 HD12 ILE 102 1HD1 ILE 102 -23.153 13.020 -0.693 860 HD13 ILE 102 2HD1 ILE 102 -21.640 13.083 -1.596 861 H GLU 103 HN GLU 103 -22.081 19.407 0.350 862 HA GLU 103 HA GLU 103 -24.737 20.076 0.649 863 HB2 GLU 103 1HB GLU 103 -22.408 21.381 1.061 864 HB3 GLU 103 2HB GLU 103 -22.983 22.234 -0.365 865 HG2 GLU 103 1HG GLU 103 -25.196 22.455 0.944 866 HG3 GLU 103 2HG GLU 103 -24.210 22.065 2.353 867 H GLU 104 HN GLU 104 -22.809 19.991 -2.262 868 HA GLU 104 HA GLU 104 -23.342 20.193 -4.464 869 HB2 GLU 104 1HB GLU 104 -25.281 18.694 -3.541 870 HB3 GLU 104 2HB GLU 104 -26.262 20.131 -3.795 871 HG2 GLU 104 1HG GLU 104 -26.561 19.035 -5.777 872 HG3 GLU 104 2HG GLU 104 -25.204 20.086 -6.177 873 H ALA 105 HN ALA 105 -22.561 22.450 -4.004 874 HA ALA 105 HA ALA 105 -24.245 24.315 -5.307 875 HB1 ALA 105 1HB ALA 105 -23.780 24.955 -2.403 876 HB2 ALA 105 2HB ALA 105 -24.762 25.843 -3.568 877 HB3 ALA 105 3HB ALA 105 -25.278 24.251 -3.013 Start of MODEL 20 1 H1 GLY -5 HN GLY -5 -0.138 1.916 -17.289 2 HA2 GLY -5 2HA GLY -5 1.728 0.814 -15.306 3 HA3 GLY -5 3HA GLY -5 2.160 1.403 -16.904 4 H SER -4 HN SER -4 0.334 2.847 -14.207 5 HA SER -4 HA SER -4 2.046 5.222 -14.447 6 HB2 SER -4 1HB SER -4 -0.460 5.453 -14.691 7 HB3 SER -4 2HB SER -4 -0.594 5.014 -12.989 8 HG SER -4 HG SER -4 1.109 6.859 -12.866 9 H HIS -3 HN HIS -3 1.043 2.700 -12.278 10 HA HIS -3 HA HIS -3 1.722 2.085 -10.196 11 HB2 HIS -3 1HB HIS -3 4.080 3.852 -10.881 12 HB3 HIS -3 2HB HIS -3 4.022 2.733 -9.522 13 HD1 HIS -3 1HD HIS -3 4.906 2.933 -13.041 14 HD2 HIS -3 2HD HIS -3 3.780 -0.060 -10.388 15 HE1 HIS -3 1HE HIS -3 5.581 0.773 -14.138 16 H MET -2 HN MET -2 -0.161 4.052 -10.188 17 HA MET -2 HA MET -2 0.553 5.524 -7.764 18 HB2 MET -2 1HB MET -2 -0.313 6.709 -10.360 19 HB3 MET -2 2HB MET -2 -0.910 7.439 -8.875 20 HG2 MET -2 1HG MET -2 1.997 6.913 -9.061 21 HG3 MET -2 2HG MET -2 1.336 8.212 -10.051 22 HE1 MET -2 3HE MET -2 2.429 6.804 -7.025 23 HE2 MET -2 1HE MET -2 3.039 8.288 -6.291 24 HE3 MET -2 2HE MET -2 1.557 7.549 -5.684 25 H ALA -1 HN ALA -1 -0.870 3.294 -7.600 26 HA ALA -1 HA ALA -1 -2.849 2.353 -6.968 27 HB1 ALA -1 1HB ALA -1 -4.088 4.844 -6.080 28 HB2 ALA -1 2HB ALA -1 -3.679 3.390 -5.169 29 HB3 ALA -1 3HB ALA -1 -2.446 4.612 -5.477 30 H SER 1 HN SER 1 -2.659 3.589 -9.687 31 HA SER 1 HA SER 1 -5.554 3.779 -10.192 32 HB2 SER 1 1HB SER 1 -4.891 5.992 -10.556 33 HB3 SER 1 2HB SER 1 -3.334 5.516 -11.236 34 HG SER 1 HG SER 1 -4.326 4.943 -13.114 35 H ALA 2 HN ALA 2 -2.390 2.760 -11.286 36 HA ALA 2 HA ALA 2 -3.185 1.709 -13.794 37 HB1 ALA 2 1HB ALA 2 -1.003 1.374 -14.043 38 HB2 ALA 2 2HB ALA 2 -0.785 2.040 -12.424 39 HB3 ALA 2 3HB ALA 2 -0.945 0.298 -12.646 40 H ASP 3 HN ASP 3 -3.396 0.524 -10.548 41 HA ASP 3 HA ASP 3 -3.702 -2.241 -11.236 42 HB2 ASP 3 1HB ASP 3 -2.895 -1.517 -9.016 43 HB3 ASP 3 2HB ASP 3 -4.468 -0.793 -8.692 44 H LEU 4 HN LEU 4 -5.917 0.396 -10.397 45 HA LEU 4 HA LEU 4 -8.273 -1.188 -10.559 46 HB2 LEU 4 1HB LEU 4 -8.142 0.912 -9.295 47 HB3 LEU 4 2HB LEU 4 -7.941 1.799 -10.804 48 HG LEU 4 HG LEU 4 -10.286 0.503 -11.264 49 HD11 LEU 4 1HD1 LEU 4 -10.098 -0.264 -8.812 50 HD12 LEU 4 2HD1 LEU 4 -11.631 0.400 -9.376 51 HD13 LEU 4 3HD1 LEU 4 -10.538 1.398 -8.418 52 HD21 LEU 4 3HD2 LEU 4 -11.124 2.594 -11.395 53 HD22 LEU 4 1HD2 LEU 4 -9.434 3.053 -11.184 54 HD23 LEU 4 2HD2 LEU 4 -10.526 3.053 -9.799 55 H VAL 5 HN VAL 5 -6.558 0.900 -12.832 56 HA VAL 5 HA VAL 5 -8.500 0.795 -14.893 57 HB VAL 5 HB VAL 5 -5.529 1.320 -15.069 58 HG11 VAL 5 1HG1 VAL 5 -7.524 0.977 -17.120 59 HG12 VAL 5 2HG1 VAL 5 -6.855 2.610 -17.159 60 HG13 VAL 5 3HG1 VAL 5 -5.783 1.213 -17.275 61 HG21 VAL 5 3HG2 VAL 5 -7.250 2.828 -13.724 62 HG22 VAL 5 1HG2 VAL 5 -5.945 3.528 -14.683 63 HG23 VAL 5 2HG2 VAL 5 -7.580 3.451 -15.341 64 H SER 6 HN SER 6 -5.444 -0.978 -14.429 65 HA SER 6 HA SER 6 -5.704 -2.608 -16.710 66 HB2 SER 6 1HB SER 6 -4.161 -3.011 -14.141 67 HB3 SER 6 2HB SER 6 -4.023 -4.077 -15.539 68 HG SER 6 HG SER 6 -3.562 -1.980 -16.693 69 H SER 7 HN SER 7 -6.812 -2.977 -13.394 70 HA SER 7 HA SER 7 -7.656 -5.688 -13.687 71 HB2 SER 7 1HB SER 7 -8.273 -3.559 -11.635 72 HB3 SER 7 2HB SER 7 -8.934 -5.191 -11.545 73 HG SER 7 HG SER 7 -6.168 -4.564 -11.663 74 H CYS 8 HN CYS 8 -9.430 -2.601 -13.535 75 HA CYS 8 HA CYS 8 -11.976 -3.662 -14.016 76 HB2 CYS 8 1HB CYS 8 -10.784 -0.933 -14.460 77 HB3 CYS 8 2HB CYS 8 -12.459 -1.281 -14.868 78 HG CYS 8 HG CYS 8 -11.991 -2.361 -11.838 79 H LYS 9 HN LYS 9 -9.527 -2.419 -16.251 80 HA LYS 9 HA LYS 9 -11.087 -2.682 -18.595 81 HB2 LYS 9 1HB LYS 9 -9.195 -1.256 -18.705 82 HB3 LYS 9 2HB LYS 9 -8.118 -2.514 -18.111 83 HG2 LYS 9 1HG LYS 9 -9.431 -3.335 -20.545 84 HG3 LYS 9 2HG LYS 9 -8.577 -1.805 -20.757 85 HD2 LYS 9 1HD LYS 9 -6.587 -2.814 -20.700 86 HD3 LYS 9 2HD LYS 9 -7.008 -3.709 -19.237 87 HE2 LYS 9 1HE LYS 9 -6.647 -5.389 -20.801 88 HE3 LYS 9 2HE LYS 9 -8.399 -5.197 -20.818 89 HZ1 LYS 9 3HZ LYS 9 -6.461 -4.135 -22.797 90 HZ2 LYS 9 1HZ LYS 9 -8.097 -3.705 -22.765 91 HZ3 LYS 9 2HZ LYS 9 -7.650 -5.310 -23.054 92 H ASP 10 HN ASP 10 -8.484 -4.742 -17.293 93 HA ASP 10 HA ASP 10 -8.550 -6.763 -19.166 94 HB2 ASP 10 1HB ASP 10 -6.847 -6.678 -17.437 95 HB3 ASP 10 2HB ASP 10 -8.055 -6.976 -16.189 96 H LYS 11 HN LYS 11 -10.492 -6.485 -16.204 97 HA LYS 11 HA LYS 11 -11.927 -8.900 -16.614 98 HB2 LYS 11 1HB LYS 11 -11.923 -6.708 -14.701 99 HB3 LYS 11 2HB LYS 11 -13.552 -7.267 -15.056 100 HG2 LYS 11 1HG LYS 11 -13.164 -8.780 -13.464 101 HG3 LYS 11 2HG LYS 11 -12.226 -9.620 -14.701 102 HD2 LYS 11 1HD LYS 11 -10.719 -9.519 -12.955 103 HD3 LYS 11 2HD LYS 11 -10.288 -8.080 -13.882 104 HE2 LYS 11 1HE LYS 11 -10.393 -7.568 -11.508 105 HE3 LYS 11 2HE LYS 11 -11.662 -6.712 -12.383 106 HZ1 LYS 11 3HZ LYS 11 -12.353 -7.788 -10.246 107 HZ2 LYS 11 1HZ LYS 11 -12.123 -9.288 -10.993 108 HZ3 LYS 11 2HZ LYS 11 -13.282 -8.213 -11.594 109 H LEU 12 HN LEU 12 -13.002 -5.508 -16.901 110 HA LEU 12 HA LEU 12 -15.488 -5.906 -17.975 111 HB2 LEU 12 1HB LEU 12 -14.733 -3.715 -17.371 112 HB3 LEU 12 2HB LEU 12 -13.475 -3.757 -18.605 113 HG LEU 12 HG LEU 12 -15.891 -4.101 -19.981 114 HD11 LEU 12 1HD1 LEU 12 -16.178 -2.349 -17.618 115 HD12 LEU 12 2HD1 LEU 12 -17.391 -3.271 -18.505 116 HD13 LEU 12 3HD1 LEU 12 -16.807 -1.736 -19.148 117 HD21 LEU 12 3HD2 LEU 12 -13.979 -2.954 -20.869 118 HD22 LEU 12 1HD2 LEU 12 -14.087 -1.713 -19.619 119 HD23 LEU 12 2HD2 LEU 12 -15.345 -1.837 -20.850 120 H ALA 13 HN ALA 13 -12.395 -5.838 -19.696 121 HA ALA 13 HA ALA 13 -13.503 -6.123 -22.293 122 HB1 ALA 13 1HB ALA 13 -10.743 -7.016 -21.521 123 HB2 ALA 13 2HB ALA 13 -11.304 -6.364 -23.061 124 HB3 ALA 13 3HB ALA 13 -11.168 -5.310 -21.654 125 H TYR 14 HN TYR 14 -12.249 -8.431 -19.921 126 HA TYR 14 HA TYR 14 -12.525 -10.707 -21.611 127 HB2 TYR 14 1HB TYR 14 -10.988 -10.607 -19.655 128 HB3 TYR 14 2HB TYR 14 -12.389 -10.613 -18.590 129 HD1 TYR 14 2HD TYR 14 -11.937 -12.611 -21.684 130 HD2 TYR 14 1HD TYR 14 -12.081 -12.638 -17.432 131 HE1 TYR 14 2HE TYR 14 -11.939 -15.070 -21.706 132 HE2 TYR 14 1HE TYR 14 -12.082 -15.098 -17.441 133 HH TYR 14 HH TYR 14 -12.462 -16.933 -18.801 134 H PHE 15 HN PHE 15 -14.732 -8.836 -19.826 135 HA PHE 15 HA PHE 15 -16.687 -10.998 -19.621 136 HB2 PHE 15 1HB PHE 15 -16.804 -8.131 -18.661 137 HB3 PHE 15 2HB PHE 15 -18.053 -9.341 -18.387 138 HD1 PHE 15 2HD PHE 15 -16.181 -11.674 -17.849 139 HD2 PHE 15 1HD PHE 15 -16.251 -7.667 -16.416 140 HE1 PHE 15 2HE PHE 15 -15.033 -12.392 -15.796 141 HE2 PHE 15 1HE PHE 15 -15.102 -8.379 -14.360 142 HZ PHE 15 HZ PHE 15 -14.493 -10.745 -14.047 143 H ARG 16 HN ARG 16 -18.431 -11.185 -20.906 144 HA ARG 16 HA ARG 16 -18.542 -10.021 -23.411 145 HB2 ARG 16 1HB ARG 16 -19.841 -12.054 -22.325 146 HB3 ARG 16 2HB ARG 16 -21.094 -10.842 -22.099 147 HG2 ARG 16 1HG ARG 16 -21.625 -10.806 -24.273 148 HG3 ARG 16 2HG ARG 16 -19.940 -10.898 -24.788 149 HD2 ARG 16 1HD ARG 16 -21.349 -13.273 -23.617 150 HD3 ARG 16 2HD ARG 16 -21.495 -12.874 -25.328 151 HE ARG 16 HE ARG 16 -19.244 -14.053 -24.025 152 HH11 ARG 16 1HH1 ARG 16 -20.211 -12.001 -26.666 153 HH12 ARG 16 2HH1 ARG 16 -18.817 -12.362 -27.628 154 HH21 ARG 16 1HH2 ARG 16 -17.403 -14.536 -25.282 155 HH22 ARG 16 2HH2 ARG 16 -17.220 -13.805 -26.841 156 H ILE 17 HN ILE 17 -20.585 -8.786 -24.208 157 HA ILE 17 HA ILE 17 -20.447 -6.167 -23.386 158 HB ILE 17 HB ILE 17 -22.943 -7.427 -24.518 159 HG12 ILE 17 1HG1 ILE 17 -20.285 -6.890 -25.728 160 HG13 ILE 17 2HG1 ILE 17 -21.472 -8.128 -26.123 161 HG21 ILE 17 1HG2 ILE 17 -21.846 -4.654 -24.926 162 HG22 ILE 17 2HG2 ILE 17 -23.429 -5.271 -25.397 163 HG23 ILE 17 3HG2 ILE 17 -23.037 -5.060 -23.691 164 HD11 ILE 17 3HD1 ILE 17 -21.388 -6.723 -27.988 165 HD12 ILE 17 1HD1 ILE 17 -22.857 -6.258 -27.131 166 HD13 ILE 17 2HD1 ILE 17 -21.405 -5.264 -26.998 167 H LYS 18 HN LYS 18 -22.217 -8.777 -21.959 168 HA LYS 18 HA LYS 18 -24.255 -7.552 -20.597 169 HB2 LYS 18 1HB LYS 18 -22.789 -9.999 -20.376 170 HB3 LYS 18 2HB LYS 18 -23.034 -9.344 -18.763 171 HG2 LYS 18 1HG LYS 18 -25.305 -9.573 -20.701 172 HG3 LYS 18 2HG LYS 18 -24.795 -10.943 -19.711 173 HD2 LYS 18 1HD LYS 18 -25.966 -10.139 -18.003 174 HD3 LYS 18 2HD LYS 18 -24.983 -8.673 -18.020 175 HE2 LYS 18 1HE LYS 18 -27.105 -7.818 -18.312 176 HE3 LYS 18 2HE LYS 18 -26.553 -7.976 -19.978 177 HZ1 LYS 18 3HZ LYS 18 -27.906 -9.782 -20.348 178 HZ2 LYS 18 1HZ LYS 18 -28.874 -8.853 -19.318 179 HZ3 LYS 18 2HZ LYS 18 -28.027 -10.184 -18.710 180 H GLU 19 HN GLU 19 -20.879 -7.860 -19.506 181 HA GLU 19 HA GLU 19 -21.140 -6.529 -17.074 182 HB2 GLU 19 1HB GLU 19 -19.132 -7.741 -17.544 183 HB3 GLU 19 2HB GLU 19 -18.796 -6.755 -18.960 184 HG2 GLU 19 1HG GLU 19 -17.332 -6.119 -17.167 185 HG3 GLU 19 2HG GLU 19 -18.460 -4.807 -17.501 186 H LEU 20 HN LEU 20 -20.049 -5.188 -20.194 187 HA LEU 20 HA LEU 20 -19.868 -2.526 -19.353 188 HB2 LEU 20 1HB LEU 20 -20.501 -3.586 -22.104 189 HB3 LEU 20 2HB LEU 20 -19.957 -1.952 -21.733 190 HG LEU 20 HG LEU 20 -17.914 -3.315 -20.682 191 HD11 LEU 20 1HD1 LEU 20 -17.969 -4.996 -23.005 192 HD12 LEU 20 2HD1 LEU 20 -19.366 -5.328 -21.983 193 HD13 LEU 20 3HD1 LEU 20 -17.739 -5.433 -21.312 194 HD21 LEU 20 3HD2 LEU 20 -17.564 -1.590 -22.258 195 HD22 LEU 20 1HD2 LEU 20 -18.365 -2.497 -23.541 196 HD23 LEU 20 2HD2 LEU 20 -16.797 -3.029 -22.933 197 H LYS 21 HN LYS 21 -22.595 -4.437 -20.398 198 HA LYS 21 HA LYS 21 -24.400 -2.338 -20.930 199 HB2 LYS 21 1HB LYS 21 -24.591 -4.873 -21.443 200 HB3 LYS 21 2HB LYS 21 -25.254 -4.996 -19.818 201 HG2 LYS 21 1HG LYS 21 -27.201 -4.699 -20.902 202 HG3 LYS 21 2HG LYS 21 -26.766 -2.994 -20.765 203 HD2 LYS 21 1HD LYS 21 -25.502 -3.517 -23.035 204 HD3 LYS 21 2HD LYS 21 -26.723 -4.788 -23.136 205 HE2 LYS 21 1HE LYS 21 -28.449 -3.303 -23.338 206 HE3 LYS 21 2HE LYS 21 -27.617 -2.045 -22.426 207 HZ1 LYS 21 3HZ LYS 21 -26.073 -2.322 -24.629 208 HZ2 LYS 21 1HZ LYS 21 -27.256 -1.132 -24.412 209 HZ3 LYS 21 2HZ LYS 21 -27.628 -2.550 -25.255 210 H ASP 22 HN ASP 22 -23.819 -4.250 -17.991 211 HA ASP 22 HA ASP 22 -25.767 -2.996 -16.397 212 HB2 ASP 22 1HB ASP 22 -23.182 -4.332 -15.569 213 HB3 ASP 22 2HB ASP 22 -24.505 -3.922 -14.481 214 H ILE 23 HN ILE 23 -22.356 -2.265 -16.959 215 HA ILE 23 HA ILE 23 -22.124 -0.216 -15.033 216 HB ILE 23 HB ILE 23 -20.574 -0.588 -17.599 217 HG12 ILE 23 1HG1 ILE 23 -19.963 -1.454 -14.764 218 HG13 ILE 23 2HG1 ILE 23 -20.437 -2.519 -16.083 219 HG21 ILE 23 1HG2 ILE 23 -20.572 1.546 -15.719 220 HG22 ILE 23 2HG2 ILE 23 -19.046 0.675 -15.579 221 HG23 ILE 23 3HG2 ILE 23 -19.551 1.325 -17.139 222 HD11 ILE 23 3HD1 ILE 23 -17.847 -1.682 -15.337 223 HD12 ILE 23 1HD1 ILE 23 -18.321 -2.743 -16.663 224 HD13 ILE 23 2HD1 ILE 23 -18.193 -1.004 -16.927 225 H LEU 24 HN LEU 24 -22.491 0.032 -18.576 226 HA LEU 24 HA LEU 24 -22.848 2.804 -18.661 227 HB2 LEU 24 1HB LEU 24 -22.754 2.357 -20.826 228 HB3 LEU 24 2HB LEU 24 -22.906 0.636 -20.478 229 HG LEU 24 HG LEU 24 -25.352 2.349 -20.677 230 HD11 LEU 24 1HD1 LEU 24 -25.475 2.112 -23.009 231 HD12 LEU 24 2HD1 LEU 24 -24.122 0.982 -23.051 232 HD13 LEU 24 3HD1 LEU 24 -23.837 2.684 -22.691 233 HD21 LEU 24 3HD2 LEU 24 -24.690 -0.483 -20.508 234 HD22 LEU 24 1HD2 LEU 24 -25.808 -0.107 -21.819 235 HD23 LEU 24 2HD2 LEU 24 -26.206 0.351 -20.163 236 H ASN 25 HN ASN 25 -25.059 0.231 -17.901 237 HA ASN 25 HA ASN 25 -27.466 1.697 -18.275 238 HB2 ASN 25 1HB ASN 25 -27.950 -0.539 -18.219 239 HB3 ASN 25 2HB ASN 25 -26.700 -0.889 -17.029 240 HD21 ASN 25 1HD2 ASN 25 -27.178 -0.803 -14.874 241 HD22 ASN 25 2HD2 ASN 25 -28.784 -0.613 -14.268 242 H GLN 26 HN GLN 26 -25.386 1.075 -15.481 243 HA GLN 26 HA GLN 26 -27.080 2.538 -13.676 244 HB2 GLN 26 1HB GLN 26 -24.356 1.286 -13.446 245 HB3 GLN 26 2HB GLN 26 -25.003 2.301 -12.163 246 HG2 GLN 26 1HG GLN 26 -26.659 0.795 -11.621 247 HG3 GLN 26 2HG GLN 26 -26.622 0.024 -13.206 248 HE21 GLN 26 1HE2 GLN 26 -24.069 -0.634 -13.579 249 HE22 GLN 26 2HE2 GLN 26 -23.519 -1.727 -12.360 250 H LEU 27 HN LEU 27 -24.577 3.311 -15.878 251 HA LEU 27 HA LEU 27 -23.725 5.726 -14.565 252 HB2 LEU 27 1HB LEU 27 -23.252 4.622 -17.325 253 HB3 LEU 27 2HB LEU 27 -22.580 6.151 -16.764 254 HG LEU 27 HG LEU 27 -22.028 3.632 -15.248 255 HD11 LEU 27 1HD1 LEU 27 -20.844 4.470 -17.864 256 HD12 LEU 27 2HD1 LEU 27 -21.355 2.869 -17.331 257 HD13 LEU 27 3HD1 LEU 27 -19.881 3.587 -16.679 258 HD21 LEU 27 3HD2 LEU 27 -21.429 6.159 -14.675 259 HD22 LEU 27 1HD2 LEU 27 -20.055 5.794 -15.720 260 HD23 LEU 27 2HD2 LEU 27 -20.351 4.820 -14.279 261 H GLY 28 HN GLY 28 -26.558 4.968 -15.936 262 HA2 GLY 28 2HA GLY 28 -28.239 6.698 -16.113 263 HA3 GLY 28 3HA GLY 28 -27.009 7.753 -16.795 264 H LEU 29 HN LEU 29 -26.797 4.601 -17.988 265 HA LEU 29 HA LEU 29 -26.915 3.937 -20.197 266 HB2 LEU 29 1HB LEU 29 -29.306 3.667 -20.889 267 HB3 LEU 29 2HB LEU 29 -28.890 2.982 -19.319 268 HG LEU 29 HG LEU 29 -30.082 5.715 -19.441 269 HD11 LEU 29 1HD1 LEU 29 -32.227 5.017 -19.791 270 HD12 LEU 29 2HD1 LEU 29 -31.899 3.370 -19.253 271 HD13 LEU 29 3HD1 LEU 29 -31.368 3.897 -20.849 272 HD21 LEU 29 3HD2 LEU 29 -29.464 3.717 -17.457 273 HD22 LEU 29 1HD2 LEU 29 -31.169 4.162 -17.396 274 HD23 LEU 29 2HD2 LEU 29 -29.928 5.406 -17.246 275 HA PRO 30 HA PRO 30 -26.821 8.024 -22.223 276 HB2 PRO 30 1HB PRO 30 -24.833 7.349 -23.944 277 HB3 PRO 30 2HB PRO 30 -24.528 7.886 -22.288 278 HG2 PRO 30 1HG PRO 30 -24.597 5.106 -23.395 279 HG3 PRO 30 2HG PRO 30 -23.450 5.826 -22.251 280 HD2 PRO 30 1HD PRO 30 -25.485 4.225 -21.460 281 HD3 PRO 30 2HD PRO 30 -24.875 5.559 -20.460 282 H LYS 31 HN LYS 31 -26.862 8.539 -24.634 283 HA LYS 31 HA LYS 31 -29.085 7.477 -25.844 284 HB2 LYS 31 1HB LYS 31 -26.662 8.749 -27.124 285 HB3 LYS 31 2HB LYS 31 -28.162 8.422 -27.981 286 HG2 LYS 31 1HG LYS 31 -29.286 9.832 -26.164 287 HG3 LYS 31 2HG LYS 31 -27.654 10.376 -25.769 288 HD2 LYS 31 1HD LYS 31 -28.425 10.459 -28.624 289 HD3 LYS 31 2HD LYS 31 -29.225 11.615 -27.556 290 HE2 LYS 31 1HE LYS 31 -27.383 12.862 -27.381 291 HE3 LYS 31 2HE LYS 31 -26.373 11.455 -27.052 292 HZ1 LYS 31 3HZ LYS 31 -25.497 12.021 -29.034 293 HZ2 LYS 31 1HZ LYS 31 -26.890 12.820 -29.566 294 HZ3 LYS 31 2HZ LYS 31 -26.801 11.133 -29.647 295 H GLN 32 HN GLN 32 -25.800 6.294 -25.926 296 HA GLN 32 HA GLN 32 -26.569 3.711 -26.743 297 HB2 GLN 32 1HB GLN 32 -25.711 3.586 -28.969 298 HB3 GLN 32 2HB GLN 32 -26.833 4.939 -28.917 299 HG2 GLN 32 1HG GLN 32 -23.843 5.196 -28.709 300 HG3 GLN 32 2HG GLN 32 -24.768 5.397 -30.196 301 HE21 GLN 32 1HE2 GLN 32 -23.623 6.876 -27.375 302 HE22 GLN 32 2HE2 GLN 32 -24.417 8.399 -27.559 303 H GLY 33 HN GLY 33 -24.293 2.713 -27.863 304 HA2 GLY 33 2HA GLY 33 -21.806 3.463 -27.173 305 HA3 GLY 33 3HA GLY 33 -22.450 2.916 -25.632 306 H LYS 34 HN LYS 34 -21.162 1.986 -28.673 307 HA LYS 34 HA LYS 34 -21.933 -0.768 -28.560 308 HB2 LYS 34 1HB LYS 34 -20.414 -1.077 -30.425 309 HB3 LYS 34 2HB LYS 34 -21.370 0.377 -30.678 310 HG2 LYS 34 1HG LYS 34 -19.499 1.756 -29.967 311 HG3 LYS 34 2HG LYS 34 -18.537 0.308 -29.657 312 HD2 LYS 34 1HD LYS 34 -17.817 0.971 -31.765 313 HD3 LYS 34 2HD LYS 34 -19.027 -0.261 -32.132 314 HE2 LYS 34 1HE LYS 34 -20.537 2.015 -32.015 315 HE3 LYS 34 2HE LYS 34 -19.026 2.612 -32.698 316 HZ1 LYS 34 3HZ LYS 34 -20.320 0.194 -33.786 317 HZ2 LYS 34 1HZ LYS 34 -19.218 1.237 -34.534 318 HZ3 LYS 34 2HZ LYS 34 -20.815 1.734 -34.281 319 H LYS 35 HN LYS 35 -19.794 -2.295 -28.946 320 HA LYS 35 HA LYS 35 -18.799 -2.838 -26.428 321 HB2 LYS 35 1HB LYS 35 -18.192 -3.686 -29.168 322 HB3 LYS 35 2HB LYS 35 -16.817 -3.801 -28.077 323 HG2 LYS 35 1HG LYS 35 -19.521 -5.038 -27.599 324 HG3 LYS 35 2HG LYS 35 -18.097 -5.888 -28.203 325 HD2 LYS 35 1HD LYS 35 -18.333 -4.504 -25.530 326 HD3 LYS 35 2HD LYS 35 -18.396 -6.247 -25.803 327 HE2 LYS 35 1HE LYS 35 -16.056 -4.432 -26.378 328 HE3 LYS 35 2HE LYS 35 -16.187 -5.565 -25.034 329 HZ1 LYS 35 3HZ LYS 35 -15.293 -7.084 -26.353 330 HZ2 LYS 35 1HZ LYS 35 -15.339 -6.048 -27.689 331 HZ3 LYS 35 2HZ LYS 35 -16.673 -7.025 -27.331 332 H GLN 36 HN GLN 36 -17.245 -1.000 -29.042 333 HA GLN 36 HA GLN 36 -14.890 -0.424 -27.554 334 HB2 GLN 36 1HB GLN 36 -16.059 0.449 -30.141 335 HB3 GLN 36 2HB GLN 36 -14.859 1.506 -29.410 336 HG2 GLN 36 1HG GLN 36 -14.404 -1.422 -29.912 337 HG3 GLN 36 2HG GLN 36 -13.974 -0.153 -31.058 338 HE21 GLN 36 1HE2 GLN 36 -13.336 -1.483 -27.886 339 HE22 GLN 36 2HE2 GLN 36 -11.774 -0.773 -27.690 340 H ASP 37 HN ASP 37 -17.719 1.555 -28.430 341 HA ASP 37 HA ASP 37 -17.035 3.903 -27.158 342 HB2 ASP 37 1HB ASP 37 -19.430 2.728 -28.229 343 HB3 ASP 37 2HB ASP 37 -19.805 3.557 -26.720 344 H LEU 38 HN LEU 38 -18.668 1.071 -25.782 345 HA LEU 38 HA LEU 38 -19.078 2.142 -23.211 346 HB2 LEU 38 1HB LEU 38 -18.815 -0.689 -24.195 347 HB3 LEU 38 2HB LEU 38 -19.201 -0.286 -22.523 348 HG LEU 38 HG LEU 38 -20.877 0.400 -24.938 349 HD11 LEU 38 1HD1 LEU 38 -21.903 -1.359 -22.814 350 HD12 LEU 38 2HD1 LEU 38 -20.631 -2.044 -23.825 351 HD13 LEU 38 3HD1 LEU 38 -22.115 -1.441 -24.563 352 HD21 LEU 38 3HD2 LEU 38 -21.951 1.855 -23.656 353 HD22 LEU 38 1HD2 LEU 38 -20.789 1.566 -22.361 354 HD23 LEU 38 2HD2 LEU 38 -22.260 0.597 -22.458 355 H ILE 39 HN ILE 39 -16.555 -0.096 -24.374 356 HA ILE 39 HA ILE 39 -15.061 -0.303 -22.066 357 HB ILE 39 HB ILE 39 -14.431 -0.547 -24.954 358 HG12 ILE 39 1HG1 ILE 39 -13.307 -2.531 -23.187 359 HG13 ILE 39 2HG1 ILE 39 -14.996 -2.247 -22.782 360 HG21 ILE 39 1HG2 ILE 39 -12.491 0.640 -24.433 361 HG22 ILE 39 2HG2 ILE 39 -12.365 -0.086 -22.832 362 HG23 ILE 39 3HG2 ILE 39 -12.011 -1.049 -24.266 363 HD11 ILE 39 3HD1 ILE 39 -13.972 -3.858 -24.818 364 HD12 ILE 39 1HD1 ILE 39 -15.659 -3.438 -24.521 365 HD13 ILE 39 2HD1 ILE 39 -14.687 -2.461 -25.623 366 H ASP 40 HN ASP 40 -14.533 2.029 -24.713 367 HA ASP 40 HA ASP 40 -12.479 3.467 -23.471 368 HB2 ASP 40 1HB ASP 40 -13.788 3.580 -25.905 369 HB3 ASP 40 2HB ASP 40 -14.216 5.112 -25.149 370 H ARG 41 HN ARG 41 -15.954 3.664 -23.156 371 HA ARG 41 HA ARG 41 -16.088 6.181 -21.878 372 HB2 ARG 41 1HB ARG 41 -17.894 3.923 -22.373 373 HB3 ARG 41 2HB ARG 41 -18.232 4.785 -20.878 374 HG2 ARG 41 1HG ARG 41 -17.993 6.092 -23.579 375 HG3 ARG 41 2HG ARG 41 -19.515 5.614 -22.823 376 HD2 ARG 41 1HD ARG 41 -19.555 7.612 -21.847 377 HD3 ARG 41 2HD ARG 41 -18.182 7.086 -20.873 378 HE ARG 41 HE ARG 41 -17.194 8.015 -23.308 379 HH11 ARG 41 1HH1 ARG 41 -18.853 9.246 -20.507 380 HH12 ARG 41 2HH1 ARG 41 -18.181 10.837 -20.646 381 HH21 ARG 41 1HH2 ARG 41 -16.302 10.105 -23.502 382 HH22 ARG 41 2HH2 ARG 41 -16.730 11.325 -22.351 383 H VAL 42 HN VAL 42 -16.049 2.873 -20.562 384 HA VAL 42 HA VAL 42 -16.177 3.509 -17.860 385 HB VAL 42 HB VAL 42 -14.866 1.199 -19.280 386 HG11 VAL 42 1HG1 VAL 42 -15.105 1.697 -16.319 387 HG12 VAL 42 2HG1 VAL 42 -14.803 0.106 -17.022 388 HG13 VAL 42 3HG1 VAL 42 -13.636 1.409 -17.252 389 HG21 VAL 42 3HG2 VAL 42 -16.926 0.371 -19.316 390 HG22 VAL 42 1HG2 VAL 42 -17.009 0.481 -17.557 391 HG23 VAL 42 2HG2 VAL 42 -17.531 1.841 -18.552 392 H LEU 43 HN LEU 43 -13.258 2.901 -19.819 393 HA LEU 43 HA LEU 43 -11.408 3.520 -17.800 394 HB2 LEU 43 1HB LEU 43 -10.897 3.980 -20.719 395 HB3 LEU 43 2HB LEU 43 -9.759 3.483 -19.469 396 HG LEU 43 HG LEU 43 -11.832 1.832 -20.881 397 HD11 LEU 43 1HD1 LEU 43 -9.312 0.577 -20.521 398 HD12 LEU 43 2HD1 LEU 43 -9.034 2.210 -21.125 399 HD13 LEU 43 3HD1 LEU 43 -10.078 1.105 -22.019 400 HD21 LEU 43 3HD2 LEU 43 -10.527 1.351 -18.227 401 HD22 LEU 43 1HD2 LEU 43 -10.997 0.008 -19.269 402 HD23 LEU 43 2HD2 LEU 43 -12.216 1.144 -18.692 403 H ALA 44 HN ALA 44 -13.194 5.528 -20.021 404 HA ALA 44 HA ALA 44 -11.658 7.874 -19.849 405 HB1 ALA 44 1HB ALA 44 -13.141 8.270 -21.472 406 HB2 ALA 44 2HB ALA 44 -14.312 7.133 -20.802 407 HB3 ALA 44 3HB ALA 44 -14.225 8.780 -20.177 408 H LEU 45 HN LEU 45 -14.579 6.928 -18.034 409 HA LEU 45 HA LEU 45 -14.488 9.174 -16.297 410 HB2 LEU 45 1HB LEU 45 -15.950 6.559 -16.259 411 HB3 LEU 45 2HB LEU 45 -16.046 7.672 -14.896 412 HG LEU 45 HG LEU 45 -17.114 9.335 -16.236 413 HD11 LEU 45 1HD1 LEU 45 -17.587 8.980 -18.619 414 HD12 LEU 45 2HD1 LEU 45 -16.628 7.502 -18.579 415 HD13 LEU 45 3HD1 LEU 45 -15.857 9.060 -18.288 416 HD21 LEU 45 3HD2 LEU 45 -19.168 8.238 -16.789 417 HD22 LEU 45 1HD2 LEU 45 -18.490 7.446 -15.366 418 HD23 LEU 45 2HD2 LEU 45 -18.354 6.681 -16.950 419 H LEU 46 HN LEU 46 -13.379 5.828 -16.022 420 HA LEU 46 HA LEU 46 -12.554 6.009 -13.316 421 HB2 LEU 46 1HB LEU 46 -12.301 3.828 -13.593 422 HB3 LEU 46 2HB LEU 46 -12.685 4.029 -15.301 423 HG LEU 46 HG LEU 46 -10.177 4.492 -15.607 424 HD11 LEU 46 1HD1 LEU 46 -8.855 4.442 -13.831 425 HD12 LEU 46 2HD1 LEU 46 -9.370 2.794 -13.472 426 HD13 LEU 46 3HD1 LEU 46 -10.257 4.161 -12.799 427 HD21 LEU 46 3HD2 LEU 46 -11.616 2.336 -16.049 428 HD22 LEU 46 1HD2 LEU 46 -10.644 1.685 -14.729 429 HD23 LEU 46 2HD2 LEU 46 -9.858 2.299 -16.184 430 H THR 47 HN THR 47 -11.148 7.026 -16.293 431 HA THR 47 HA THR 47 -8.536 7.429 -15.013 432 HB THR 47 HB THR 47 -9.293 7.628 -17.934 433 HG1 THR 47 1HG THR 47 -7.772 5.716 -17.896 434 HG21 THR 47 3HG2 THR 47 -6.623 7.418 -17.945 435 HG22 THR 47 1HG2 THR 47 -6.831 8.285 -16.424 436 HG23 THR 47 2HG2 THR 47 -7.458 8.971 -17.923 437 H ASP 48 HN ASP 48 -10.201 9.253 -17.565 438 HA ASP 48 HA ASP 48 -9.175 11.734 -16.917 439 HB2 ASP 48 1HB ASP 48 -11.263 10.706 -18.627 440 HB3 ASP 48 2HB ASP 48 -11.759 12.231 -17.900 441 H GLU 49 HN GLU 49 -11.677 9.944 -15.357 442 HA GLU 49 HA GLU 49 -12.214 12.253 -13.607 443 HB2 GLU 49 1HB GLU 49 -14.045 10.549 -15.059 444 HB3 GLU 49 2HB GLU 49 -14.355 10.465 -13.330 445 HG2 GLU 49 1HG GLU 49 -14.309 13.025 -13.395 446 HG3 GLU 49 2HG GLU 49 -14.467 12.845 -15.141 447 H GLN 50 HN GLN 50 -10.192 10.093 -13.417 448 HA GLN 50 HA GLN 50 -10.824 8.111 -11.598 449 HB2 GLN 50 1HB GLN 50 -8.514 7.885 -11.192 450 HB3 GLN 50 2HB GLN 50 -8.630 8.489 -12.840 451 HG2 GLN 50 1HG GLN 50 -8.348 10.488 -10.675 452 HG3 GLN 50 2HG GLN 50 -6.943 9.496 -11.060 453 HE21 GLN 50 1HE2 GLN 50 -9.204 11.859 -12.271 454 HE22 GLN 50 2HE2 GLN 50 -8.258 12.360 -13.626 455 H GLY 51 HN GLY 51 -10.581 11.509 -11.102 456 HA2 GLY 51 2HA GLY 51 -9.920 11.687 -8.409 457 HA3 GLY 51 3HA GLY 51 -10.971 12.813 -9.254 458 H GLN 52 HN GLN 52 -12.822 10.495 -9.866 459 HA GLN 52 HA GLN 52 -14.620 10.901 -7.748 460 HB2 GLN 52 1HB GLN 52 -14.508 9.230 -10.170 461 HB3 GLN 52 2HB GLN 52 -15.511 8.585 -8.877 462 HG2 GLN 52 1HG GLN 52 -16.653 10.046 -10.598 463 HG3 GLN 52 2HG GLN 52 -16.938 10.438 -8.903 464 HE21 GLN 52 1HE2 GLN 52 -15.208 11.363 -11.802 465 HE22 GLN 52 2HE2 GLN 52 -14.915 13.001 -11.336 466 H ARG 53 HN ARG 53 -11.932 8.832 -8.024 467 HA ARG 53 HA ARG 53 -12.773 6.701 -6.363 468 HB2 ARG 53 1HB ARG 53 -10.507 6.016 -6.332 469 HB3 ARG 53 2HB ARG 53 -10.767 6.736 -7.916 470 HG2 ARG 53 1HG ARG 53 -8.810 7.745 -7.412 471 HG3 ARG 53 2HG ARG 53 -9.895 8.898 -6.632 472 HD2 ARG 53 1HD ARG 53 -9.447 6.881 -4.744 473 HD3 ARG 53 2HD ARG 53 -7.874 7.206 -5.472 474 HE ARG 53 HE ARG 53 -9.411 8.970 -3.785 475 HH11 ARG 53 1HH1 ARG 53 -6.868 8.718 -6.149 476 HH12 ARG 53 2HH1 ARG 53 -6.106 10.201 -5.680 477 HH21 ARG 53 1HH2 ARG 53 -8.417 10.925 -3.157 478 HH22 ARG 53 2HH2 ARG 53 -6.987 11.455 -3.977 479 H HIS 54 HN HIS 54 -12.075 9.934 -5.682 480 HA HIS 54 HA HIS 54 -11.107 9.520 -2.993 481 HB2 HIS 54 1HB HIS 54 -10.439 11.483 -4.391 482 HB3 HIS 54 2HB HIS 54 -12.093 12.076 -4.273 483 HD1 HIS 54 1HD HIS 54 -11.244 14.208 -3.049 484 HD2 HIS 54 2HD HIS 54 -10.488 10.651 -1.038 485 HE1 HIS 54 1HE HIS 54 -10.595 14.880 -0.714 486 H HIS 55 HN HIS 55 -13.972 11.232 -4.260 487 HA HIS 55 HA HIS 55 -15.832 9.853 -2.660 488 HB2 HIS 55 1HB HIS 55 -16.358 11.542 -0.985 489 HB3 HIS 55 2HB HIS 55 -14.678 11.040 -0.825 490 HD1 HIS 55 1HD HIS 55 -15.306 13.646 0.425 491 HD2 HIS 55 2HD HIS 55 -14.288 13.336 -3.591 492 HE1 HIS 55 1HE HIS 55 -14.471 15.925 -0.235 493 H GLY 56 HN GLY 56 -17.998 10.944 -2.662 494 HA2 GLY 56 2HA GLY 56 -19.370 12.734 -3.591 495 HA3 GLY 56 3HA GLY 56 -18.237 12.819 -4.931 496 H TRP 57 HN TRP 57 -19.865 10.055 -3.393 497 HA TRP 57 HA TRP 57 -20.980 9.385 -6.038 498 HB2 TRP 57 1HB TRP 57 -20.899 7.123 -4.251 499 HB3 TRP 57 2HB TRP 57 -20.161 7.313 -5.839 500 HD1 TRP 57 HD TRP 57 -17.605 8.171 -5.908 501 HE1 TRP 57 1HE TRP 57 -15.736 8.081 -4.141 502 HE3 TRP 57 3HE TRP 57 -20.453 7.256 -1.762 503 HZ2 TRP 57 2HZ TRP 57 -15.500 7.674 -1.358 504 HZ3 TRP 57 3HZ TRP 57 -19.328 7.029 0.414 505 HH2 TRP 57 HH TRP 57 -16.903 7.233 0.610 506 H GLY 58 HN GLY 58 -21.566 8.588 -2.602 507 HA2 GLY 58 2HA GLY 58 -23.567 9.202 -1.447 508 HA3 GLY 58 3HA GLY 58 -24.385 9.322 -2.998 509 H ARG 59 HN ARG 59 -22.391 6.586 -2.702 510 HA ARG 59 HA ARG 59 -22.907 4.361 -2.779 511 HB2 ARG 59 1HB ARG 59 -22.933 4.837 -0.344 512 HB3 ARG 59 2HB ARG 59 -24.663 5.133 -0.443 513 HG2 ARG 59 1HG ARG 59 -25.081 2.976 -0.194 514 HG3 ARG 59 2HG ARG 59 -24.085 2.588 -1.598 515 HD2 ARG 59 1HD ARG 59 -23.323 1.438 0.438 516 HD3 ARG 59 2HD ARG 59 -22.100 2.529 -0.213 517 HE ARG 59 HE ARG 59 -22.262 3.800 1.690 518 HH11 ARG 59 1HH1 ARG 59 -24.944 1.585 1.545 519 HH12 ARG 59 2HH1 ARG 59 -25.486 1.931 3.153 520 HH21 ARG 59 1HH2 ARG 59 -22.966 4.264 3.810 521 HH22 ARG 59 2HH2 ARG 59 -24.361 3.456 4.441 522 H LYS 60 HN LYS 60 -24.237 5.453 -4.762 523 HA LYS 60 HA LYS 60 -26.423 3.766 -5.200 524 HB2 LYS 60 1HB LYS 60 -28.256 5.459 -5.256 525 HB3 LYS 60 2HB LYS 60 -27.664 5.107 -3.638 526 HG2 LYS 60 1HG LYS 60 -26.121 7.192 -4.131 527 HG3 LYS 60 2HG LYS 60 -27.427 7.586 -5.251 528 HD2 LYS 60 1HD LYS 60 -28.095 6.797 -2.451 529 HD3 LYS 60 2HD LYS 60 -27.494 8.427 -2.766 530 HE2 LYS 60 1HE LYS 60 -29.291 8.845 -4.309 531 HE3 LYS 60 2HE LYS 60 -29.837 7.172 -4.192 532 HZ1 LYS 60 3HZ LYS 60 -30.010 7.790 -1.670 533 HZ2 LYS 60 1HZ LYS 60 -31.256 8.184 -2.745 534 HZ3 LYS 60 2HZ LYS 60 -30.142 9.365 -2.273 535 H ASN 61 HN ASN 61 -24.763 6.751 -5.964 536 HA ASN 61 HA ASN 61 -25.732 7.400 -8.437 537 HB2 ASN 61 1HB ASN 61 -23.670 8.491 -8.873 538 HB3 ASN 61 2HB ASN 61 -23.875 8.546 -7.124 539 HD21 ASN 61 1HD2 ASN 61 -23.070 6.146 -6.279 540 HD22 ASN 61 2HD2 ASN 61 -21.413 5.870 -6.682 541 H SER 62 HN SER 62 -23.630 4.728 -7.586 542 HA SER 62 HA SER 62 -22.665 3.067 -8.839 543 HB2 SER 62 1HB SER 62 -25.357 3.211 -10.218 544 HB3 SER 62 2HB SER 62 -24.276 1.818 -10.186 545 HG SER 62 HG SER 62 -25.555 3.015 -7.951 546 H LEU 63 HN LEU 63 -21.839 5.548 -9.758 547 HA LEU 63 HA LEU 63 -21.403 4.945 -12.587 548 HB2 LEU 63 1HB LEU 63 -21.594 7.445 -13.033 549 HB3 LEU 63 2HB LEU 63 -23.089 6.537 -12.818 550 HG LEU 63 HG LEU 63 -22.818 7.380 -10.323 551 HD11 LEU 63 1HD1 LEU 63 -21.677 9.746 -11.740 552 HD12 LEU 63 2HD1 LEU 63 -20.604 8.499 -11.106 553 HD13 LEU 63 3HD1 LEU 63 -21.689 9.364 -10.018 554 HD21 LEU 63 3HD2 LEU 63 -24.328 9.176 -10.839 555 HD22 LEU 63 1HD2 LEU 63 -24.693 7.809 -11.893 556 HD23 LEU 63 2HD2 LEU 63 -23.800 9.193 -12.523 557 H THR 64 HN THR 64 -19.895 4.910 -9.953 558 HA THR 64 HA THR 64 -17.630 6.592 -10.810 559 HB THR 64 HB THR 64 -16.995 6.196 -8.250 560 HG1 THR 64 1HG THR 64 -19.845 6.275 -8.216 561 HG21 THR 64 3HG2 THR 64 -17.751 8.328 -9.734 562 HG22 THR 64 1HG2 THR 64 -17.369 8.415 -8.015 563 HG23 THR 64 2HG2 THR 64 -19.048 8.292 -8.541 564 H LYS 65 HN LYS 65 -15.534 5.689 -9.620 565 HA LYS 65 HA LYS 65 -14.788 3.355 -10.890 566 HB2 LYS 65 1HB LYS 65 -12.895 3.281 -9.260 567 HB3 LYS 65 2HB LYS 65 -13.119 4.848 -10.025 568 HG2 LYS 65 1HG LYS 65 -13.412 5.849 -8.068 569 HG3 LYS 65 2HG LYS 65 -14.618 4.663 -7.566 570 HD2 LYS 65 1HD LYS 65 -11.630 4.264 -7.423 571 HD3 LYS 65 2HD LYS 65 -12.655 4.733 -6.065 572 HE2 LYS 65 1HE LYS 65 -13.960 2.533 -6.968 573 HE3 LYS 65 2HE LYS 65 -12.291 2.114 -7.351 574 HZ1 LYS 65 3HZ LYS 65 -11.814 2.810 -4.958 575 HZ2 LYS 65 1HZ LYS 65 -12.599 1.331 -5.202 576 HZ3 LYS 65 2HZ LYS 65 -13.484 2.687 -4.712 577 H GLU 66 HN GLU 66 -16.334 3.777 -7.777 578 HA GLU 66 HA GLU 66 -15.914 1.160 -6.792 579 HB2 GLU 66 1HB GLU 66 -17.276 3.527 -5.951 580 HB3 GLU 66 2HB GLU 66 -18.380 2.167 -5.799 581 HG2 GLU 66 1HG GLU 66 -16.595 0.970 -4.523 582 HG3 GLU 66 2HG GLU 66 -15.668 2.470 -4.539 583 H ALA 67 HN ALA 67 -18.536 2.627 -8.663 584 HA ALA 67 HA ALA 67 -20.245 0.382 -8.664 585 HB1 ALA 67 1HB ALA 67 -20.274 2.195 -11.006 586 HB2 ALA 67 2HB ALA 67 -21.604 1.607 -10.007 587 HB3 ALA 67 3HB ALA 67 -20.573 2.914 -9.423 588 H VAL 68 HN VAL 68 -17.985 1.568 -11.156 589 HA VAL 68 HA VAL 68 -18.334 -0.483 -12.999 590 HB VAL 68 HB VAL 68 -15.769 1.011 -12.437 591 HG11 VAL 68 1HG1 VAL 68 -16.251 0.328 -15.189 592 HG12 VAL 68 2HG1 VAL 68 -14.867 -0.058 -14.165 593 HG13 VAL 68 3HG1 VAL 68 -16.277 -1.118 -14.180 594 HG21 VAL 68 3HG2 VAL 68 -16.600 2.437 -14.371 595 HG22 VAL 68 1HG2 VAL 68 -18.178 1.699 -14.098 596 HG23 VAL 68 2HG2 VAL 68 -17.417 2.651 -12.823 597 H ALA 69 HN ALA 69 -16.017 -0.251 -10.316 598 HA ALA 69 HA ALA 69 -14.795 -2.768 -10.822 599 HB1 ALA 69 1HB ALA 69 -13.758 -0.886 -9.544 600 HB2 ALA 69 2HB ALA 69 -14.840 -1.276 -8.206 601 HB3 ALA 69 3HB ALA 69 -13.651 -2.458 -8.752 602 H LYS 70 HN LYS 70 -17.609 -1.751 -9.047 603 HA LYS 70 HA LYS 70 -17.916 -4.006 -7.384 604 HB2 LYS 70 1HB LYS 70 -19.168 -2.019 -6.905 605 HB3 LYS 70 2HB LYS 70 -19.919 -2.040 -8.495 606 HG2 LYS 70 1HG LYS 70 -21.559 -3.358 -7.793 607 HG3 LYS 70 2HG LYS 70 -20.426 -4.495 -7.059 608 HD2 LYS 70 1HD LYS 70 -20.742 -1.958 -5.611 609 HD3 LYS 70 2HD LYS 70 -22.193 -2.961 -5.675 610 HE2 LYS 70 1HE LYS 70 -20.886 -4.862 -4.813 611 HE3 LYS 70 2HE LYS 70 -19.468 -3.820 -4.705 612 HZ1 LYS 70 3HZ LYS 70 -21.282 -2.412 -3.328 613 HZ2 LYS 70 1HZ LYS 70 -20.189 -3.494 -2.625 614 HZ3 LYS 70 2HZ LYS 70 -21.770 -3.990 -2.964 615 H ILE 71 HN ILE 71 -19.354 -3.235 -10.549 616 HA ILE 71 HA ILE 71 -20.723 -5.697 -10.819 617 HB ILE 71 HB ILE 71 -19.790 -3.972 -13.107 618 HG12 ILE 71 1HG1 ILE 71 -20.840 -2.496 -11.495 619 HG13 ILE 71 2HG1 ILE 71 -21.941 -2.751 -12.845 620 HG21 ILE 71 1HG2 ILE 71 -21.248 -6.343 -13.000 621 HG22 ILE 71 2HG2 ILE 71 -22.447 -5.080 -13.276 622 HG23 ILE 71 3HG2 ILE 71 -21.083 -5.257 -14.380 623 HD11 ILE 71 3HD1 ILE 71 -22.084 -4.098 -10.158 624 HD12 ILE 71 1HD1 ILE 71 -23.128 -2.800 -10.737 625 HD13 ILE 71 2HD1 ILE 71 -23.179 -4.385 -11.510 626 H VAL 72 HN VAL 72 -17.687 -4.522 -12.271 627 HA VAL 72 HA VAL 72 -16.999 -6.775 -13.718 628 HB VAL 72 HB VAL 72 -15.524 -4.495 -12.586 629 HG11 VAL 72 1HG1 VAL 72 -14.163 -7.120 -13.136 630 HG12 VAL 72 2HG1 VAL 72 -13.315 -5.573 -13.183 631 HG13 VAL 72 3HG1 VAL 72 -14.066 -6.124 -11.685 632 HG21 VAL 72 3HG2 VAL 72 -14.444 -4.801 -14.941 633 HG22 VAL 72 1HG2 VAL 72 -15.793 -5.906 -15.204 634 HG23 VAL 72 2HG2 VAL 72 -16.103 -4.217 -14.803 635 H ASP 73 HN ASP 73 -16.393 -6.062 -10.304 636 HA ASP 73 HA ASP 73 -14.828 -8.351 -9.767 637 HB2 ASP 73 1HB ASP 73 -16.419 -6.470 -8.043 638 HB3 ASP 73 2HB ASP 73 -15.631 -7.885 -7.350 639 H ASP 74 HN ASP 74 -18.298 -7.711 -9.467 640 HA ASP 74 HA ASP 74 -19.022 -10.147 -8.279 641 HB2 ASP 74 1HB ASP 74 -20.426 -7.980 -9.728 642 HB3 ASP 74 2HB ASP 74 -21.246 -9.539 -9.689 643 H THR 75 HN THR 75 -18.562 -9.232 -11.645 644 HA THR 75 HA THR 75 -19.634 -11.598 -12.781 645 HB THR 75 HB THR 75 -17.530 -10.422 -14.395 646 HG1 THR 75 1HG THR 75 -18.796 -8.367 -14.561 647 HG21 THR 75 3HG2 THR 75 -20.053 -11.554 -14.724 648 HG22 THR 75 1HG2 THR 75 -19.026 -10.879 -15.989 649 HG23 THR 75 2HG2 THR 75 -20.250 -9.872 -15.216 650 H TYR 76 HN TYR 76 -16.339 -10.611 -11.922 651 HA TYR 76 HA TYR 76 -15.059 -12.928 -12.913 652 HB2 TYR 76 1HB TYR 76 -14.155 -10.559 -12.029 653 HB3 TYR 76 2HB TYR 76 -13.868 -11.523 -10.584 654 HD1 TYR 76 1HD TYR 76 -13.589 -12.505 -14.167 655 HD2 TYR 76 2HD TYR 76 -11.556 -11.794 -10.498 656 HE1 TYR 76 1HE TYR 76 -11.510 -13.365 -15.160 657 HE2 TYR 76 2HE TYR 76 -9.470 -12.651 -11.481 658 HH TYR 76 HH TYR 76 -8.604 -12.809 -14.110 659 H ARG 77 HN ARG 77 -15.973 -12.002 -9.595 660 HA ARG 77 HA ARG 77 -15.174 -14.370 -8.345 661 HB2 ARG 77 1HB ARG 77 -16.517 -13.678 -6.477 662 HB3 ARG 77 2HB ARG 77 -15.785 -12.245 -7.186 663 HG2 ARG 77 1HG ARG 77 -17.897 -11.767 -8.352 664 HG3 ARG 77 2HG ARG 77 -18.622 -13.175 -7.573 665 HD2 ARG 77 1HD ARG 77 -19.185 -11.084 -6.414 666 HD3 ARG 77 2HD ARG 77 -18.265 -12.184 -5.389 667 HE ARG 77 HE ARG 77 -16.634 -10.266 -6.771 668 HH11 ARG 77 1HH1 ARG 77 -18.580 -10.859 -3.946 669 HH12 ARG 77 2HH1 ARG 77 -17.775 -9.666 -2.981 670 HH21 ARG 77 1HH2 ARG 77 -15.566 -8.692 -5.511 671 HH22 ARG 77 2HH2 ARG 77 -16.062 -8.434 -3.872 672 H LYS 78 HN LYS 78 -18.206 -13.498 -9.917 673 HA LYS 78 HA LYS 78 -19.512 -15.956 -9.177 674 HB2 LYS 78 1HB LYS 78 -20.814 -13.909 -9.489 675 HB3 LYS 78 2HB LYS 78 -20.296 -13.818 -11.167 676 HG2 LYS 78 1HG LYS 78 -21.650 -16.304 -10.304 677 HG3 LYS 78 2HG LYS 78 -22.634 -14.845 -10.439 678 HD2 LYS 78 1HD LYS 78 -20.885 -15.112 -12.715 679 HD3 LYS 78 2HD LYS 78 -21.861 -16.568 -12.502 680 HE2 LYS 78 1HE LYS 78 -23.814 -14.868 -12.192 681 HE3 LYS 78 2HE LYS 78 -22.729 -13.755 -13.022 682 HZ1 LYS 78 3HZ LYS 78 -24.353 -15.755 -14.130 683 HZ2 LYS 78 1HZ LYS 78 -22.739 -16.155 -14.443 684 HZ3 LYS 78 2HZ LYS 78 -23.348 -14.654 -14.930 685 H MET 79 HN MET 79 -17.451 -14.895 -11.708 686 HA MET 79 HA MET 79 -18.273 -16.686 -13.742 687 HB2 MET 79 1HB MET 79 -16.012 -14.870 -13.261 688 HB3 MET 79 2HB MET 79 -15.620 -16.267 -14.255 689 HG2 MET 79 1HG MET 79 -18.100 -15.106 -15.111 690 HG3 MET 79 2HG MET 79 -16.834 -13.881 -15.054 691 HE1 MET 79 3HE MET 79 -14.008 -15.539 -16.977 692 HE2 MET 79 1HE MET 79 -14.727 -13.976 -17.366 693 HE3 MET 79 2HE MET 79 -14.512 -14.452 -15.682 694 H GLN 80 HN GLN 80 -15.430 -16.818 -11.586 695 HA GLN 80 HA GLN 80 -15.662 -19.742 -11.581 696 HB2 GLN 80 1HB GLN 80 -13.141 -19.852 -11.726 697 HB3 GLN 80 2HB GLN 80 -13.969 -19.385 -13.206 698 HG2 GLN 80 1HG GLN 80 -13.438 -16.992 -11.878 699 HG3 GLN 80 2HG GLN 80 -11.981 -17.967 -11.689 700 HE21 GLN 80 1HE2 GLN 80 -14.339 -17.712 -14.321 701 HE22 GLN 80 2HE2 GLN 80 -13.193 -17.276 -15.538 702 H ILE 81 HN ILE 81 -15.233 -16.854 -9.918 703 HA ILE 81 HA ILE 81 -15.060 -16.398 -7.689 704 HB ILE 81 HB ILE 81 -14.813 -19.357 -7.175 705 HG12 ILE 81 1HG1 ILE 81 -17.406 -17.826 -7.171 706 HG13 ILE 81 2HG1 ILE 81 -16.823 -18.642 -8.617 707 HG21 ILE 81 1HG2 ILE 81 -15.096 -16.961 -5.538 708 HG22 ILE 81 2HG2 ILE 81 -16.275 -18.214 -5.155 709 HG23 ILE 81 3HG2 ILE 81 -14.551 -18.579 -5.096 710 HD11 ILE 81 3HD1 ILE 81 -18.437 -19.988 -7.371 711 HD12 ILE 81 1HD1 ILE 81 -16.857 -20.766 -7.459 712 HD13 ILE 81 2HD1 ILE 81 -17.366 -19.967 -5.971 713 H GLN 82 HN GLN 82 -13.078 -19.346 -7.992 714 HA GLN 82 HA GLN 82 -10.937 -18.353 -6.478 715 HB2 GLN 82 1HB GLN 82 -11.233 -20.732 -6.821 716 HB3 GLN 82 2HB GLN 82 -11.006 -20.546 -8.555 717 HG2 GLN 82 1HG GLN 82 -8.990 -21.413 -7.696 718 HG3 GLN 82 2HG GLN 82 -8.691 -19.715 -8.062 719 HE21 GLN 82 1HE2 GLN 82 -8.721 -18.206 -6.284 720 HE22 GLN 82 2HE2 GLN 82 -8.257 -18.737 -4.707 721 H CYS 83 HN CYS 83 -10.165 -16.387 -7.113 722 HA CYS 83 HA CYS 83 -8.362 -16.353 -9.336 723 HB2 CYS 83 1HB CYS 83 -11.047 -15.185 -9.610 724 HB3 CYS 83 2HB CYS 83 -9.737 -14.091 -10.038 725 HG CYS 83 HG CYS 83 -10.987 -15.612 -12.231 726 H ALA 84 HN ALA 84 -10.213 -14.261 -7.131 727 HA ALA 84 HA ALA 84 -9.598 -12.463 -5.865 728 HB1 ALA 84 1HB ALA 84 -8.266 -14.558 -4.961 729 HB2 ALA 84 2HB ALA 84 -6.880 -13.605 -5.492 730 HB3 ALA 84 3HB ALA 84 -8.003 -12.942 -4.305 731 HA PRO 85 HA PRO 85 -7.362 -10.336 -9.266 732 HB2 PRO 85 1HB PRO 85 -8.930 -8.121 -9.189 733 HB3 PRO 85 2HB PRO 85 -9.365 -9.575 -10.094 734 HG2 PRO 85 1HG PRO 85 -10.291 -8.678 -7.393 735 HG3 PRO 85 2HG PRO 85 -11.233 -9.377 -8.723 736 HD2 PRO 85 1HD PRO 85 -10.425 -10.833 -6.588 737 HD3 PRO 85 2HD PRO 85 -10.592 -11.531 -8.211 738 H ASP 86 HN ASP 86 -7.808 -9.842 -5.960 739 HA ASP 86 HA ASP 86 -6.664 -8.657 -4.391 740 HB2 ASP 86 1HB ASP 86 -4.733 -9.402 -5.947 741 HB3 ASP 86 2HB ASP 86 -4.745 -7.735 -6.514 742 H LEU 87 HN LEU 87 -8.673 -7.308 -4.593 743 HA LEU 87 HA LEU 87 -8.773 -4.920 -6.040 744 HB2 LEU 87 1HB LEU 87 -10.100 -5.901 -3.549 745 HB3 LEU 87 2HB LEU 87 -10.318 -4.227 -4.056 746 HG LEU 87 HG LEU 87 -10.869 -6.381 -6.035 747 HD11 LEU 87 1HD1 LEU 87 -13.136 -5.608 -4.322 748 HD12 LEU 87 2HD1 LEU 87 -11.960 -6.703 -3.596 749 HD13 LEU 87 3HD1 LEU 87 -12.767 -7.148 -5.099 750 HD21 LEU 87 3HD2 LEU 87 -11.207 -3.588 -5.848 751 HD22 LEU 87 1HD2 LEU 87 -12.819 -4.304 -5.833 752 HD23 LEU 87 2HD2 LEU 87 -11.709 -4.661 -7.156 753 H ALA 88 HN ALA 88 -6.930 -5.768 -3.284 754 HA ALA 88 HA ALA 88 -5.381 -4.631 -2.061 755 HB1 ALA 88 1HB ALA 88 -5.678 -2.193 -3.751 756 HB2 ALA 88 2HB ALA 88 -4.225 -2.917 -3.060 757 HB3 ALA 88 3HB ALA 88 -4.998 -3.657 -4.462 758 H THR 89 HN THR 89 -8.456 -4.156 -1.906 759 HA THR 89 HA THR 89 -9.921 -2.967 -0.625 760 HB THR 89 HB THR 89 -7.615 -2.206 1.147 761 HG1 THR 89 1HG THR 89 -7.904 -4.333 2.090 762 HG21 THR 89 3HG2 THR 89 -9.793 -3.253 2.577 763 HG22 THR 89 1HG2 THR 89 -10.485 -2.211 1.334 764 HG23 THR 89 2HG2 THR 89 -9.295 -1.565 2.464 765 H ARG 90 HN ARG 90 -8.396 -1.538 -2.750 766 HA ARG 90 HA ARG 90 -8.042 0.575 -3.534 767 HB2 ARG 90 1HB ARG 90 -10.238 1.322 -1.599 768 HB3 ARG 90 2HB ARG 90 -9.799 2.155 -3.085 769 HG2 ARG 90 1HG ARG 90 -11.065 -0.562 -2.825 770 HG3 ARG 90 2HG ARG 90 -11.797 0.908 -3.471 771 HD2 ARG 90 1HD ARG 90 -9.619 -0.781 -4.665 772 HD3 ARG 90 2HD ARG 90 -11.192 -0.374 -5.351 773 HE ARG 90 HE ARG 90 -10.036 2.036 -5.130 774 HH11 ARG 90 1HH1 ARG 90 -8.903 -0.980 -6.450 775 HH12 ARG 90 2HH1 ARG 90 -7.877 -0.229 -7.627 776 HH21 ARG 90 1HH2 ARG 90 -8.689 3.036 -6.676 777 HH22 ARG 90 2HH2 ARG 90 -7.755 2.055 -7.754 778 H SER 91 HN SER 91 -6.040 0.163 -1.973 779 HA SER 91 HA SER 91 -5.499 2.707 -0.766 780 HB2 SER 91 1HB SER 91 -6.529 1.866 1.182 781 HB3 SER 91 2HB SER 91 -5.846 0.257 0.952 782 HG SER 91 HG SER 91 -4.281 0.900 2.180 783 H HIS 92 HN HIS 92 -3.989 2.450 -2.572 784 HA HIS 92 HA HIS 92 -1.755 0.630 -2.024 785 HB2 HIS 92 1HB HIS 92 -2.927 0.789 -4.321 786 HB3 HIS 92 2HB HIS 92 -2.053 2.307 -4.504 787 HD1 HIS 92 1HD HIS 92 -0.229 -0.358 -2.724 788 HD2 HIS 92 2HD HIS 92 -0.626 1.015 -6.625 789 HE1 HIS 92 1HE HIS 92 1.669 -1.402 -4.000 790 H SER 93 HN SER 93 -2.643 3.974 -2.082 791 HA SER 93 HA SER 93 -0.269 4.754 -0.726 792 HB2 SER 93 1HB SER 93 0.343 4.559 -3.272 793 HB3 SER 93 2HB SER 93 -0.507 6.099 -3.395 794 HG SER 93 HG SER 93 1.799 5.476 -1.883 795 H GLY 94 HN GLY 94 -3.025 4.960 -0.224 796 HA2 GLY 94 2HA GLY 94 -3.229 7.664 0.545 797 HA3 GLY 94 3HA GLY 94 -4.191 7.411 -0.904 798 H SER 95 HN SER 95 -4.003 7.004 2.488 799 HA SER 95 HA SER 95 -6.738 6.570 2.820 800 HB2 SER 95 1HB SER 95 -5.498 4.228 1.984 801 HB3 SER 95 2HB SER 95 -5.617 4.038 3.734 802 HG SER 95 HG SER 95 -7.865 4.550 3.518 803 H ASP 96 HN ASP 96 -7.351 6.664 4.970 804 HA ASP 96 HA ASP 96 -7.166 7.132 7.188 805 HB2 ASP 96 1HB ASP 96 -4.526 5.666 6.989 806 HB3 ASP 96 2HB ASP 96 -5.409 6.022 8.472 807 H PHE 97 HN PHE 97 -5.581 8.638 4.924 808 HA PHE 97 HA PHE 97 -4.072 10.358 6.782 809 HB2 PHE 97 1HB PHE 97 -3.124 9.018 4.500 810 HB3 PHE 97 2HB PHE 97 -3.265 10.709 4.032 811 HD1 PHE 97 1HD PHE 97 -2.593 12.118 6.487 812 HD2 PHE 97 2HD PHE 97 -0.873 8.610 4.798 813 HE1 PHE 97 1HE PHE 97 -0.472 12.611 7.631 814 HE2 PHE 97 2HE PHE 97 1.250 9.097 5.941 815 HZ PHE 97 HZ PHE 97 1.453 11.099 7.360 816 H SER 98 HN SER 98 -6.872 10.205 5.225 817 HA SER 98 HA SER 98 -7.345 12.997 5.308 818 HB2 SER 98 1HB SER 98 -6.015 12.572 3.095 819 HB3 SER 98 2HB SER 98 -7.552 11.940 2.506 820 HG SER 98 HG SER 98 -7.070 14.535 3.551 821 H PHE 99 HN PHE 99 -8.581 10.814 6.459 822 HA PHE 99 HA PHE 99 -10.927 10.090 4.955 823 HB2 PHE 99 1HB PHE 99 -9.683 8.720 6.793 824 HB3 PHE 99 2HB PHE 99 -10.645 9.678 7.914 825 HD1 PHE 99 2HD PHE 99 -10.944 7.437 4.967 826 HD2 PHE 99 1HD PHE 99 -12.809 9.036 8.443 827 HE1 PHE 99 2HE PHE 99 -12.832 5.889 4.662 828 HE2 PHE 99 1HE PHE 99 -14.700 7.490 8.144 829 HZ PHE 99 HZ PHE 99 -14.714 5.915 6.251 830 H ARG 100 HN ARG 100 -11.683 12.272 4.537 831 HA ARG 100 HA ARG 100 -13.480 13.172 6.647 832 HB2 ARG 100 1HB ARG 100 -11.071 14.571 5.921 833 HB3 ARG 100 2HB ARG 100 -12.475 15.548 5.512 834 HG2 ARG 100 1HG ARG 100 -12.264 14.275 8.206 835 HG3 ARG 100 2HG ARG 100 -11.398 15.771 7.852 836 HD2 ARG 100 1HD ARG 100 -13.335 16.688 8.592 837 HD3 ARG 100 2HD ARG 100 -13.798 16.450 6.908 838 HE ARG 100 HE ARG 100 -15.310 14.872 7.584 839 HH11 ARG 100 1HH1 ARG 100 -13.063 15.481 10.173 840 HH12 ARG 100 2HH1 ARG 100 -13.938 14.534 11.330 841 HH21 ARG 100 1HH2 ARG 100 -16.471 13.622 9.099 842 HH22 ARG 100 2HH2 ARG 100 -15.875 13.476 10.718 843 HA PRO 101 HA PRO 101 -15.600 13.071 2.599 844 HB2 PRO 101 1HB PRO 101 -18.020 12.434 3.654 845 HB3 PRO 101 2HB PRO 101 -16.777 11.227 3.304 846 HG2 PRO 101 1HG PRO 101 -17.486 12.514 5.912 847 HG3 PRO 101 2HG PRO 101 -17.116 10.814 5.567 848 HD2 PRO 101 1HD PRO 101 -15.302 12.509 6.648 849 HD3 PRO 101 2HD PRO 101 -14.840 11.178 5.567 850 H ILE 102 HN ILE 102 -18.023 14.006 2.247 851 HA ILE 102 HA ILE 102 -18.332 16.510 3.727 852 HB ILE 102 HB ILE 102 -18.483 16.585 0.734 853 HG12 ILE 102 1HG1 ILE 102 -16.038 16.681 2.461 854 HG13 ILE 102 2HG1 ILE 102 -16.263 15.919 0.890 855 HG21 ILE 102 1HG2 ILE 102 -19.351 18.370 2.438 856 HG22 ILE 102 2HG2 ILE 102 -17.651 18.830 2.510 857 HG23 ILE 102 3HG2 ILE 102 -18.510 18.871 0.971 858 HD11 ILE 102 3HD1 ILE 102 -15.885 18.835 1.491 859 HD12 ILE 102 1HD1 ILE 102 -14.834 17.766 0.563 860 HD13 ILE 102 2HD1 ILE 102 -16.408 18.232 -0.081 861 H GLU 103 HN GLU 103 -19.857 14.067 3.705 862 HA GLU 103 HA GLU 103 -22.091 14.028 2.093 863 HB2 GLU 103 1HB GLU 103 -21.674 13.224 4.959 864 HB3 GLU 103 2HB GLU 103 -23.245 13.046 4.191 865 HG2 GLU 103 1HG GLU 103 -21.329 11.940 2.439 866 HG3 GLU 103 2HG GLU 103 -20.979 11.333 4.056 867 H GLU 104 HN GLU 104 -21.373 16.118 4.799 868 HA GLU 104 HA GLU 104 -22.385 17.991 5.601 869 HB2 GLU 104 1HB GLU 104 -22.486 18.413 3.054 870 HB3 GLU 104 2HB GLU 104 -24.187 17.993 3.195 871 HG2 GLU 104 1HG GLU 104 -24.724 19.925 4.207 872 HG3 GLU 104 2HG GLU 104 -23.216 19.992 5.118 873 H ALA 105 HN ALA 105 -23.328 16.881 7.341 874 HA ALA 105 HA ALA 105 -25.672 15.406 7.329 875 HB1 ALA 105 1HB ALA 105 -25.686 15.596 9.650 876 HB2 ALA 105 2HB ALA 105 -23.985 15.803 9.228 877 HB3 ALA 105 3HB ALA 105 -24.975 17.210 9.618
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